smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cnc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C2CC2)o1 ZINC001436832552 1088449886 /nfs/dbraw/zinc/44/98/86/1088449886.db2.gz KPFYBNIOEMRUOK-DLBZAZTESA-N 2 2 348.491 2.096 10 0 EEAELP CCc1cnc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C2CC2)o1 ZINC001436832552 1088449891 /nfs/dbraw/zinc/44/98/91/1088449891.db2.gz KPFYBNIOEMRUOK-DLBZAZTESA-N 2 2 348.491 2.096 10 0 EEAELP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001436861998 1088515073 /nfs/dbraw/zinc/51/50/73/1088515073.db2.gz UBQLBULVXROIIE-HDICACEKSA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]cn1C ZINC001436861998 1088515086 /nfs/dbraw/zinc/51/50/86/1088515086.db2.gz UBQLBULVXROIIE-HDICACEKSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1)n1cc[nH+]c1 ZINC001436920035 1088578526 /nfs/dbraw/zinc/57/85/26/1088578526.db2.gz ZWSNLLBIXILKKL-DDBAPUKQSA-N 2 2 348.491 2.012 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001436927837 1088592526 /nfs/dbraw/zinc/59/25/26/1088592526.db2.gz PGDXGNZMNYDFRI-ZHCJQAHYSA-N 2 2 330.476 2.026 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccn(C)n1)[NH+](CC)CC ZINC001437042869 1088912500 /nfs/dbraw/zinc/91/25/00/1088912500.db2.gz SLUIHSRVQLKJFQ-QZTJIDSGSA-N 2 2 349.523 2.011 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccn(C)n1)[NH+](CC)CC ZINC001437042869 1088912510 /nfs/dbraw/zinc/91/25/10/1088912510.db2.gz SLUIHSRVQLKJFQ-QZTJIDSGSA-N 2 2 349.523 2.011 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001437174138 1089203024 /nfs/dbraw/zinc/20/30/24/1089203024.db2.gz NRMKTWXTOBYNOV-GFCCVEGCSA-N 2 2 349.504 2.240 10 0 EEAELP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001437866352 1090445765 /nfs/dbraw/zinc/44/57/65/1090445765.db2.gz LQTDUYQPECBVEQ-WMZOPIPTSA-N 2 2 326.444 2.303 10 0 EEAELP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001437974942 1090566652 /nfs/dbraw/zinc/56/66/52/1090566652.db2.gz GFCBSKCSIPNKHN-MRXNPFEDSA-N 2 2 332.492 2.198 10 0 EEAELP CC(C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001437974942 1090566653 /nfs/dbraw/zinc/56/66/53/1090566653.db2.gz GFCBSKCSIPNKHN-MRXNPFEDSA-N 2 2 332.492 2.198 10 0 EEAELP Cc1cc(C)c(C[NH+]2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)c(C)c1 ZINC001438055179 1090622945 /nfs/dbraw/zinc/62/29/45/1090622945.db2.gz YXSRQDFQXUABCF-UHFFFAOYSA-N 2 2 329.488 2.397 10 0 EEAELP Cc1cc(C)c(C[NH+]2CC(NC(=O)C[N@H+](C)C3CCC3)C2)c(C)c1 ZINC001438055179 1090622947 /nfs/dbraw/zinc/62/29/47/1090622947.db2.gz YXSRQDFQXUABCF-UHFFFAOYSA-N 2 2 329.488 2.397 10 0 EEAELP CC(C)(C)c1ccc(C[NH+]2CC(CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001438158714 1090672335 /nfs/dbraw/zinc/67/23/35/1090672335.db2.gz HIASRMXBHNKZSV-UHFFFAOYSA-N 2 2 340.471 2.429 10 0 EEAELP Cc1ncoc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001438181678 1090685717 /nfs/dbraw/zinc/68/57/17/1090685717.db2.gz PRGYZFLDOSILCZ-IRXDYDNUSA-N 2 2 346.475 2.034 10 0 EEAELP Cc1ncoc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001438181678 1090685718 /nfs/dbraw/zinc/68/57/18/1090685718.db2.gz PRGYZFLDOSILCZ-IRXDYDNUSA-N 2 2 346.475 2.034 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC(C)(C)C1 ZINC001438339787 1090815377 /nfs/dbraw/zinc/81/53/77/1090815377.db2.gz ZRNOJTZNVXXQGF-JKSUJKDBSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](CC(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1)n1cc[nH+]c1 ZINC001438423924 1090919420 /nfs/dbraw/zinc/91/94/20/1090919420.db2.gz DKECEMZJSSRYQA-HNAYVOBHSA-N 2 2 341.459 2.304 10 0 EEAELP C[C@@](C[NH2+]Cc1ccc(F)c(F)c1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001438426958 1090923904 /nfs/dbraw/zinc/92/39/04/1090923904.db2.gz YLRNTPHWAAKZGQ-SFHVURJKSA-N 2 2 348.397 2.305 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001438550705 1091042905 /nfs/dbraw/zinc/04/29/05/1091042905.db2.gz KDMAVWSSFOMHDF-IRXDYDNUSA-N 2 2 340.471 2.030 10 0 EEAELP Cc1noc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001438694360 1091195831 /nfs/dbraw/zinc/19/58/31/1091195831.db2.gz OLXQMBVDMQXRAS-STQMWFEESA-N 2 2 333.436 2.076 10 0 EEAELP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001445566731 1091344048 /nfs/dbraw/zinc/34/40/48/1091344048.db2.gz AKQORMIYNLPACB-MAUKXSAKSA-N 2 2 340.471 2.302 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCC(F)(F)F ZINC001438807485 1091418156 /nfs/dbraw/zinc/41/81/56/1091418156.db2.gz QCFDLGIXHKLDPH-OCCSQVGLSA-N 2 2 346.397 2.128 10 0 EEAELP CN(CC[N@H+](C)C[C@H]1CCC(F)(F)C1)C(=O)CCc1c[nH+]cn1C ZINC001438930391 1091611304 /nfs/dbraw/zinc/61/13/04/1091611304.db2.gz FQXSYNOVXWQWMT-AWEZNQCLSA-N 2 2 342.434 2.178 10 0 EEAELP CN(CC[N@@H+](C)C[C@H]1CCC(F)(F)C1)C(=O)CCc1c[nH+]cn1C ZINC001438930391 1091611306 /nfs/dbraw/zinc/61/13/06/1091611306.db2.gz FQXSYNOVXWQWMT-AWEZNQCLSA-N 2 2 342.434 2.178 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001439251307 1091899814 /nfs/dbraw/zinc/89/98/14/1091899814.db2.gz FSNVFMCUYRCLHI-USXIJHARSA-N 2 2 326.444 2.127 10 0 EEAELP CCO[C@H](C[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001439349161 1092059384 /nfs/dbraw/zinc/05/93/84/1092059384.db2.gz OJHQWNUHIKYRMQ-RHSMWYFYSA-N 2 2 344.459 2.200 10 0 EEAELP CCO[C@H](C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001439349161 1092059387 /nfs/dbraw/zinc/05/93/87/1092059387.db2.gz OJHQWNUHIKYRMQ-RHSMWYFYSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1cccc(CCC[N@@H+]2CC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001446125973 1092169657 /nfs/dbraw/zinc/16/96/57/1092169657.db2.gz UGJUQIVZFLOFKR-GOSISDBHSA-N 2 2 326.444 2.015 10 0 EEAELP Cc1cccc(CCC[N@H+]2CC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001446125973 1092169662 /nfs/dbraw/zinc/16/96/62/1092169662.db2.gz UGJUQIVZFLOFKR-GOSISDBHSA-N 2 2 326.444 2.015 10 0 EEAELP Cc1cncc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001446130330 1092178678 /nfs/dbraw/zinc/17/86/78/1092178678.db2.gz QYRDYQBFDPQKNH-RBUKOAKNSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cncc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001446130330 1092178681 /nfs/dbraw/zinc/17/86/81/1092178681.db2.gz QYRDYQBFDPQKNH-RBUKOAKNSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001446181614 1092252620 /nfs/dbraw/zinc/25/26/20/1092252620.db2.gz MCRDNSNNRUUNHV-HUUCEWRRSA-N 2 2 334.464 2.157 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001446181614 1092252626 /nfs/dbraw/zinc/25/26/26/1092252626.db2.gz MCRDNSNNRUUNHV-HUUCEWRRSA-N 2 2 334.464 2.157 10 0 EEAELP Cc1oncc1C[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001446194821 1092269793 /nfs/dbraw/zinc/26/97/93/1092269793.db2.gz GUVXERJSKLKHRS-MRXNPFEDSA-N 2 2 345.447 2.205 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001439498797 1092333043 /nfs/dbraw/zinc/33/30/43/1092333043.db2.gz PZRQAAIMEJQVQC-WMZOPIPTSA-N 2 2 348.491 2.088 10 0 EEAELP CCc1ccccc1CC[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001439724847 1092688580 /nfs/dbraw/zinc/68/85/80/1092688580.db2.gz NSBAKTYUSHZULO-UHFFFAOYSA-N 2 2 343.515 2.418 10 0 EEAELP CCc1ccccc1CC[NH+]1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001439724847 1092688582 /nfs/dbraw/zinc/68/85/82/1092688582.db2.gz NSBAKTYUSHZULO-UHFFFAOYSA-N 2 2 343.515 2.418 10 0 EEAELP CO[C@@H](C[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001439860260 1092889747 /nfs/dbraw/zinc/88/97/47/1092889747.db2.gz PTFRYRXSURSZJN-HKUYNNGSSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@@H](C[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001439860260 1092889749 /nfs/dbraw/zinc/88/97/49/1092889749.db2.gz PTFRYRXSURSZJN-HKUYNNGSSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@@H](C[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001439860260 1092889750 /nfs/dbraw/zinc/88/97/50/1092889750.db2.gz PTFRYRXSURSZJN-HKUYNNGSSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@@H](C[N@H+]1CC[C@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001439860260 1092889751 /nfs/dbraw/zinc/88/97/51/1092889751.db2.gz PTFRYRXSURSZJN-HKUYNNGSSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001440606320 1093871443 /nfs/dbraw/zinc/87/14/43/1093871443.db2.gz WDQLEAVMXZNLFW-MRXNPFEDSA-N 2 2 332.492 2.462 10 0 EEAELP COC[C@H](C)[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001449101693 1094108861 /nfs/dbraw/zinc/10/88/61/1094108861.db2.gz YGTLTGJMIRTAEI-HOCLYGCPSA-N 2 2 333.476 2.482 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001449286864 1094236942 /nfs/dbraw/zinc/23/69/42/1094236942.db2.gz CRQIBUZMYDNKIX-CXAGYDPISA-N 2 2 344.459 2.334 10 0 EEAELP Cc1ncsc1C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001440981167 1094243016 /nfs/dbraw/zinc/24/30/16/1094243016.db2.gz SLEAKPBYMQTFCK-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncsc1C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001440981167 1094243022 /nfs/dbraw/zinc/24/30/22/1094243022.db2.gz SLEAKPBYMQTFCK-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP Cc1cncc(C[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCCC2)c1 ZINC001441109755 1094422706 /nfs/dbraw/zinc/42/27/06/1094422706.db2.gz UCTMEGYXVBOJFF-UHFFFAOYSA-N 2 2 341.459 2.265 10 0 EEAELP CC1(C)CC(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001441315492 1094770320 /nfs/dbraw/zinc/77/03/20/1094770320.db2.gz HQDYFGRBGUVAFE-NNZMDNLPSA-N 2 2 344.503 2.394 10 0 EEAELP CC1(C)CC(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCCn4cc[nH+]c4)[C@@H]3C2)C1 ZINC001441315492 1094770327 /nfs/dbraw/zinc/77/03/27/1094770327.db2.gz HQDYFGRBGUVAFE-NNZMDNLPSA-N 2 2 344.503 2.394 10 0 EEAELP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)oc1C ZINC001441368535 1094897368 /nfs/dbraw/zinc/89/73/68/1094897368.db2.gz KWBKQSYWJHDRNJ-RCBQFDQVSA-N 2 2 345.447 2.124 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1)n1cc[nH+]c1 ZINC001441481689 1095152156 /nfs/dbraw/zinc/15/21/56/1095152156.db2.gz DNMMFWMHQJDRGJ-IJEWVQPXSA-N 2 2 347.488 2.364 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)cs1 ZINC001441561749 1095315239 /nfs/dbraw/zinc/31/52/39/1095315239.db2.gz SLWKPPLBGWHNSC-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001441576168 1095366399 /nfs/dbraw/zinc/36/63/99/1095366399.db2.gz BTEBILODJIHSML-ZWKOTPCHSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001441576168 1095366411 /nfs/dbraw/zinc/36/64/11/1095366411.db2.gz BTEBILODJIHSML-ZWKOTPCHSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1ncoc1C[N@@H+]1CCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001441639029 1095551441 /nfs/dbraw/zinc/55/14/41/1095551441.db2.gz XEWYZZHYBISMFD-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1ncoc1C[N@H+]1CCCC[C@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001441639029 1095551448 /nfs/dbraw/zinc/55/14/48/1095551448.db2.gz XEWYZZHYBISMFD-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC001441864660 1095970958 /nfs/dbraw/zinc/97/09/58/1095970958.db2.gz FYNIBDUTLSDTJB-WFASDCNBSA-N 2 2 346.500 2.418 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001442018453 1096226488 /nfs/dbraw/zinc/22/64/88/1096226488.db2.gz MKSXOXYBFKHKKD-CYBMUJFWSA-N 2 2 326.444 2.433 10 0 EEAELP Cc1oncc1C[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001442167642 1096429698 /nfs/dbraw/zinc/42/96/98/1096429698.db2.gz WJQRWPYCWFIBKL-CJNGLKHVSA-N 2 2 347.463 2.451 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccccc21 ZINC001442335555 1096657869 /nfs/dbraw/zinc/65/78/69/1096657869.db2.gz MABFVVRIOYHGKQ-QAPCUYQASA-N 2 2 326.444 2.445 10 0 EEAELP CCc1nc(C)c(C[N@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C)o1 ZINC001442509659 1096861228 /nfs/dbraw/zinc/86/12/28/1096861228.db2.gz IZHYXSYMKZJNBS-UHFFFAOYSA-N 2 2 338.496 2.071 10 0 EEAELP CCc1nc(C)c(C[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C)o1 ZINC001442509659 1096861232 /nfs/dbraw/zinc/86/12/32/1096861232.db2.gz IZHYXSYMKZJNBS-UHFFFAOYSA-N 2 2 338.496 2.071 10 0 EEAELP CCc1nc(C)c(C[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C)o1 ZINC001442509659 1096861234 /nfs/dbraw/zinc/86/12/34/1096861234.db2.gz IZHYXSYMKZJNBS-UHFFFAOYSA-N 2 2 338.496 2.071 10 0 EEAELP CCc1nc(C)c(C[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C)o1 ZINC001442509659 1096861238 /nfs/dbraw/zinc/86/12/38/1096861238.db2.gz IZHYXSYMKZJNBS-UHFFFAOYSA-N 2 2 338.496 2.071 10 0 EEAELP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cc(F)ccc1Cl ZINC001442612344 1096983237 /nfs/dbraw/zinc/98/32/37/1096983237.db2.gz QMXBBKRODSBEFA-UHFFFAOYSA-N 2 2 327.831 2.123 10 0 EEAELP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1cc(F)ccc1Cl ZINC001442612344 1096983239 /nfs/dbraw/zinc/98/32/39/1096983239.db2.gz QMXBBKRODSBEFA-UHFFFAOYSA-N 2 2 327.831 2.123 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)Cc1cncs1 ZINC001442714742 1097085212 /nfs/dbraw/zinc/08/52/12/1097085212.db2.gz ANCYIWXTQGWYAR-UHFFFAOYSA-N 2 2 335.477 2.101 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)Cc1cncs1 ZINC001442714742 1097085218 /nfs/dbraw/zinc/08/52/18/1097085218.db2.gz ANCYIWXTQGWYAR-UHFFFAOYSA-N 2 2 335.477 2.101 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001442859047 1097252816 /nfs/dbraw/zinc/25/28/16/1097252816.db2.gz WHELGKOBPQOTHQ-LSDHHAIUSA-N 2 2 345.447 2.023 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001442859047 1097252818 /nfs/dbraw/zinc/25/28/18/1097252818.db2.gz WHELGKOBPQOTHQ-LSDHHAIUSA-N 2 2 345.447 2.023 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001442922500 1097333822 /nfs/dbraw/zinc/33/38/22/1097333822.db2.gz ZKKOASDHFUXFDY-KBPBESRZSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001442922500 1097333825 /nfs/dbraw/zinc/33/38/25/1097333825.db2.gz ZKKOASDHFUXFDY-KBPBESRZSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001443253851 1097729855 /nfs/dbraw/zinc/72/98/55/1097729855.db2.gz MTDPTNOSUOKJLL-KRWDZBQOSA-N 2 2 344.503 2.390 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001443253851 1097729857 /nfs/dbraw/zinc/72/98/57/1097729857.db2.gz MTDPTNOSUOKJLL-KRWDZBQOSA-N 2 2 344.503 2.390 10 0 EEAELP Cc1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCC[NH+]2CCCCC2)o1 ZINC001443687548 1098193039 /nfs/dbraw/zinc/19/30/39/1098193039.db2.gz LOESVYKTKXWRAT-IRXDYDNUSA-N 2 2 346.475 2.034 10 0 EEAELP Cc1ncc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCC[NH+]2CCCCC2)o1 ZINC001443687548 1098193043 /nfs/dbraw/zinc/19/30/43/1098193043.db2.gz LOESVYKTKXWRAT-IRXDYDNUSA-N 2 2 346.475 2.034 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@@H+](CCOC(C)C)[C@@H]3C)ccn12 ZINC001479705479 1098778608 /nfs/dbraw/zinc/77/86/08/1098778608.db2.gz JVEBKQNDXKRGGU-WBVHZDCISA-N 2 2 344.459 2.260 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[N@H+](CCOC(C)C)[C@@H]3C)ccn12 ZINC001479705479 1098778619 /nfs/dbraw/zinc/77/86/19/1098778619.db2.gz JVEBKQNDXKRGGU-WBVHZDCISA-N 2 2 344.459 2.260 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CCC(CCNC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001444236476 1098799031 /nfs/dbraw/zinc/79/90/31/1098799031.db2.gz VHXIMVYLDLTKSK-OAHLLOKOSA-N 2 2 345.447 2.159 10 0 EEAELP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479735419 1098841657 /nfs/dbraw/zinc/84/16/57/1098841657.db2.gz XIIZMMTWPYNPTA-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001479735419 1098841673 /nfs/dbraw/zinc/84/16/73/1098841673.db2.gz XIIZMMTWPYNPTA-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001479735419 1098841681 /nfs/dbraw/zinc/84/16/81/1098841681.db2.gz XIIZMMTWPYNPTA-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001479735419 1098841683 /nfs/dbraw/zinc/84/16/83/1098841683.db2.gz XIIZMMTWPYNPTA-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)CC[NH2+]Cc1nc2c(s1)CCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001479741947 1098863953 /nfs/dbraw/zinc/86/39/53/1098863953.db2.gz OIADHJKWRZPSEI-UHFFFAOYSA-N 2 2 347.488 2.129 10 0 EEAELP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001480404565 1100218305 /nfs/dbraw/zinc/21/83/05/1100218305.db2.gz BTZRREZPKIMUST-GTPINHCMSA-N 2 2 330.476 2.429 10 0 EEAELP C[C@@H](CC[NH2+][C@@H](C)c1ccc(F)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001445301428 1100532305 /nfs/dbraw/zinc/53/23/05/1100532305.db2.gz KZSGHTFRHKAQII-STQMWFEESA-N 2 2 336.386 2.407 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[NH2+]Cc1csc(C)n1 ZINC001445362367 1100598375 /nfs/dbraw/zinc/59/83/75/1100598375.db2.gz KNALFZSSJPTLAY-CHWSQXEVSA-N 2 2 349.504 2.456 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001496278298 1100860458 /nfs/dbraw/zinc/86/04/58/1100860458.db2.gz HTWAXRDBRNWUGA-CDNPWBLBSA-N 2 2 338.883 2.319 10 0 EEAELP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC001446479119 1100907677 /nfs/dbraw/zinc/90/76/77/1100907677.db2.gz UXLSNXUSDKCBEM-UHFFFAOYSA-N 2 2 346.475 2.119 10 0 EEAELP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001496407570 1101001099 /nfs/dbraw/zinc/00/10/99/1101001099.db2.gz WOMSDPHQIGPSIY-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)CCc3c[nH]c[nH+]3)C2)sn1 ZINC001446575622 1101061305 /nfs/dbraw/zinc/06/13/05/1101061305.db2.gz AGTAGFJYZYBEMA-QGZVFWFLSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)CCc3c[nH+]c[nH]3)C2)sn1 ZINC001446575622 1101061316 /nfs/dbraw/zinc/06/13/16/1101061316.db2.gz AGTAGFJYZYBEMA-QGZVFWFLSA-N 2 2 347.488 2.136 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](Cc2nccs2)C1 ZINC001446699463 1101265876 /nfs/dbraw/zinc/26/58/76/1101265876.db2.gz ZWTFOQNZIYMCII-KRWDZBQOSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](Cc2nccs2)C1 ZINC001446699463 1101265883 /nfs/dbraw/zinc/26/58/83/1101265883.db2.gz ZWTFOQNZIYMCII-KRWDZBQOSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@]1(C)CCC[N@@H+](Cc2nccs2)C1 ZINC001446699463 1101265896 /nfs/dbraw/zinc/26/58/96/1101265896.db2.gz ZWTFOQNZIYMCII-KRWDZBQOSA-N 2 2 338.521 2.202 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@H+](C(C)C)CCC2(F)F)c[nH+]1 ZINC001446723730 1101294465 /nfs/dbraw/zinc/29/44/65/1101294465.db2.gz CUCNLVPGNQLVRJ-CQSZACIVSA-N 2 2 342.434 2.408 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2C[N@@H+](C(C)C)CCC2(F)F)c[nH+]1 ZINC001446723730 1101294473 /nfs/dbraw/zinc/29/44/73/1101294473.db2.gz CUCNLVPGNQLVRJ-CQSZACIVSA-N 2 2 342.434 2.408 10 0 EEAELP CC[C@@H](F)C[N@H+](C)CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001496808571 1101510157 /nfs/dbraw/zinc/51/01/57/1101510157.db2.gz IZXMIRJNQBAXFU-OAHLLOKOSA-N 2 2 333.411 2.019 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001496808571 1101510168 /nfs/dbraw/zinc/51/01/68/1101510168.db2.gz IZXMIRJNQBAXFU-OAHLLOKOSA-N 2 2 333.411 2.019 10 0 EEAELP CC(C)COCC[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001496107266 1102073100 /nfs/dbraw/zinc/07/31/00/1102073100.db2.gz GDKLRMKFUYBCHA-HNNXBMFYSA-N 2 2 332.448 2.057 10 0 EEAELP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001497403706 1102436986 /nfs/dbraw/zinc/43/69/86/1102436986.db2.gz GURUZBJOWMRLCH-UHFFFAOYSA-N 2 2 339.443 2.462 10 0 EEAELP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001497403706 1102436993 /nfs/dbraw/zinc/43/69/93/1102436993.db2.gz GURUZBJOWMRLCH-UHFFFAOYSA-N 2 2 339.443 2.462 10 0 EEAELP CC1([NH2+]CC2CCOCC2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001447567608 1102878109 /nfs/dbraw/zinc/87/81/09/1102878109.db2.gz IBNWTZSCXNRYND-UHFFFAOYSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1nc(C)c(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C(C)C)s1 ZINC001493877770 1103018654 /nfs/dbraw/zinc/01/86/54/1103018654.db2.gz CAXCDDCOVSKQGG-UHFFFAOYSA-N 2 2 349.504 2.373 10 0 EEAELP Cc1nc(C)c(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C(C)C)s1 ZINC001493877770 1103018667 /nfs/dbraw/zinc/01/86/67/1103018667.db2.gz CAXCDDCOVSKQGG-UHFFFAOYSA-N 2 2 349.504 2.373 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1)c1ncc(C(C)(C)C)o1 ZINC001497750608 1103021460 /nfs/dbraw/zinc/02/14/60/1103021460.db2.gz VHCMVVFUMWFINQ-KXLSMFKISA-N 2 2 348.491 2.247 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ncc(C(C)(C)C)o1 ZINC001497750608 1103021476 /nfs/dbraw/zinc/02/14/76/1103021476.db2.gz VHCMVVFUMWFINQ-KXLSMFKISA-N 2 2 348.491 2.247 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)c2ccccc2)on1 ZINC001493906016 1103095693 /nfs/dbraw/zinc/09/56/93/1103095693.db2.gz XTUNPKDHEAZHLK-SFHVURJKSA-N 2 2 342.443 2.026 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001497916236 1103322886 /nfs/dbraw/zinc/32/28/86/1103322886.db2.gz FSNVFMCUYRCLHI-DJIMGWMZSA-N 2 2 326.444 2.127 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001448147699 1104108864 /nfs/dbraw/zinc/10/88/64/1104108864.db2.gz YIXQJFIJRFMPAJ-WMLDXEAASA-N 2 2 336.480 2.040 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)o1 ZINC001448147699 1104108868 /nfs/dbraw/zinc/10/88/68/1104108868.db2.gz YIXQJFIJRFMPAJ-WMLDXEAASA-N 2 2 336.480 2.040 10 0 EEAELP C[C@H]1CC[C@@H](C[NH2+]CC2(NC(=O)CCn3cc[nH+]c3)CCCCC2)O1 ZINC001448229147 1104218204 /nfs/dbraw/zinc/21/82/04/1104218204.db2.gz VATDWPKUMJWNEK-IRXDYDNUSA-N 2 2 348.491 2.249 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)co1 ZINC001493163306 1107623659 /nfs/dbraw/zinc/62/36/59/1107623659.db2.gz SYEUSXLARHKTKO-GOSISDBHSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)CCC[NH+]2CCCCC2)co1 ZINC001493163306 1107623665 /nfs/dbraw/zinc/62/36/65/1107623665.db2.gz SYEUSXLARHKTKO-GOSISDBHSA-N 2 2 348.491 2.330 10 0 EEAELP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498571492 1107741884 /nfs/dbraw/zinc/74/18/84/1107741884.db2.gz IWDCAQHENDJINH-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC001493773701 1108649244 /nfs/dbraw/zinc/64/92/44/1108649244.db2.gz GSWOWGSNEMZZPT-UHFFFAOYSA-N 2 2 326.444 2.386 10 0 EEAELP CCc1[nH+]ccn1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001471788423 1110530531 /nfs/dbraw/zinc/53/05/31/1110530531.db2.gz PEUVYCLMCMNADN-QGZVFWFLSA-N 2 2 341.459 2.011 10 0 EEAELP CCc1[nH+]ccn1CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001471788423 1110530532 /nfs/dbraw/zinc/53/05/32/1110530532.db2.gz PEUVYCLMCMNADN-QGZVFWFLSA-N 2 2 341.459 2.011 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H]1CCc2ccccc21 ZINC001479266621 1110672271 /nfs/dbraw/zinc/67/22/71/1110672271.db2.gz ZRLHJQLPIZCYTL-LPHOPBHVSA-N 2 2 338.455 2.481 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCc2ccccc21 ZINC001479266621 1110672272 /nfs/dbraw/zinc/67/22/72/1110672272.db2.gz ZRLHJQLPIZCYTL-LPHOPBHVSA-N 2 2 338.455 2.481 10 0 EEAELP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001499269179 1112209711 /nfs/dbraw/zinc/20/97/11/1112209711.db2.gz PXHJWVLWGBDCMH-DWTRPJMMSA-N 2 2 330.476 2.430 10 0 EEAELP CC/C(C)=C\C(=O)NCC[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001501257802 1113266682 /nfs/dbraw/zinc/26/66/82/1113266682.db2.gz DRADIURHHGISON-ZPWFJYARSA-N 2 2 337.508 2.082 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccon1)[NH+](CC)CC ZINC001501399318 1113343034 /nfs/dbraw/zinc/34/30/34/1113343034.db2.gz FMZAUYPDWJVDDK-FGTMMUONSA-N 2 2 348.491 2.360 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccon1)[NH+](CC)CC ZINC001501399318 1113343037 /nfs/dbraw/zinc/34/30/37/1113343037.db2.gz FMZAUYPDWJVDDK-FGTMMUONSA-N 2 2 348.491 2.360 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001505944368 1114293475 /nfs/dbraw/zinc/29/34/75/1114293475.db2.gz UPQUIOOHXKCMOS-RDJZCZTQSA-N 2 2 349.475 2.028 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@@H+](C)CC[C@@H]1CCCCO1 ZINC001505944368 1114293477 /nfs/dbraw/zinc/29/34/77/1114293477.db2.gz UPQUIOOHXKCMOS-RDJZCZTQSA-N 2 2 349.475 2.028 10 0 EEAELP CO[C@H](C[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001505946447 1114294398 /nfs/dbraw/zinc/29/43/98/1114294398.db2.gz NXSGBTTVAODSNL-FZKQIMNGSA-N 2 2 344.459 2.428 10 0 EEAELP CO[C@H](C[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001505946447 1114294400 /nfs/dbraw/zinc/29/44/00/1114294400.db2.gz NXSGBTTVAODSNL-FZKQIMNGSA-N 2 2 344.459 2.428 10 0 EEAELP CCc1nocc1C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001506523550 1114672092 /nfs/dbraw/zinc/67/20/92/1114672092.db2.gz ISJXLMDTJFHFRC-UHFFFAOYSA-N 2 2 345.447 2.112 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCCC2)CCO1 ZINC001506523977 1114672757 /nfs/dbraw/zinc/67/27/57/1114672757.db2.gz PRASJLADLGUNJZ-CVEARBPZSA-N 2 2 348.491 2.176 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001506885242 1114950383 /nfs/dbraw/zinc/95/03/83/1114950383.db2.gz MWCZTAFGIBAEMY-MAPUTHEBSA-N 2 2 330.476 2.263 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001506885242 1114950386 /nfs/dbraw/zinc/95/03/86/1114950386.db2.gz MWCZTAFGIBAEMY-MAPUTHEBSA-N 2 2 330.476 2.263 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H](C[NH2+]Cc1nccs1)C1CC1 ZINC001507032261 1115069130 /nfs/dbraw/zinc/06/91/30/1115069130.db2.gz GMFHKMDBRLMTOJ-CYBMUJFWSA-N 2 2 347.488 2.171 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ncc(C)o1)C1CC1 ZINC001507037139 1115073330 /nfs/dbraw/zinc/07/33/30/1115073330.db2.gz QZZAINKWURFNDG-DLBZAZTESA-N 2 2 348.491 2.184 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ncc(C)o1)C1CC1 ZINC001507037139 1115073335 /nfs/dbraw/zinc/07/33/35/1115073335.db2.gz QZZAINKWURFNDG-DLBZAZTESA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC001507090824 1115102706 /nfs/dbraw/zinc/10/27/06/1115102706.db2.gz FYNIPGSEVSUNHL-XJKSGUPXSA-N 2 2 346.500 2.452 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001507311135 1115186200 /nfs/dbraw/zinc/18/62/00/1115186200.db2.gz VPTXJHYTEDYXCJ-CVEARBPZSA-N 2 2 330.476 2.307 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc(Cl)nc1N ZINC001543796629 1124135194 /nfs/dbraw/zinc/13/51/94/1124135194.db2.gz HBZJJISYCFNXJR-UHFFFAOYSA-N 2 2 328.763 2.459 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001567997238 1124222131 /nfs/dbraw/zinc/22/21/31/1124222131.db2.gz WEYWTMPLNISQOG-INIZCTEOSA-N 2 2 339.524 2.162 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001567997238 1124222134 /nfs/dbraw/zinc/22/21/34/1124222134.db2.gz WEYWTMPLNISQOG-INIZCTEOSA-N 2 2 339.524 2.162 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]CCC1CC1)C1CCCCC1 ZINC001568349511 1124431181 /nfs/dbraw/zinc/43/11/81/1124431181.db2.gz XRZWBDAMKGEVAE-GOSISDBHSA-N 2 2 332.492 2.417 10 0 EEAELP c1[nH+]cn2cc(-c3nc([C@@H]4C[N@H+]5CCCC[C@H]5CO4)no3)ccc12 ZINC000350190156 539869622 /nfs/dbraw/zinc/86/96/22/539869622.db2.gz NUQYDKPZYWNZNH-GJZGRUSLSA-N 2 2 325.372 2.310 10 0 EEAELP c1[nH+]cn2cc(-c3nc([C@@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)ccc12 ZINC000350190156 539869627 /nfs/dbraw/zinc/86/96/27/539869627.db2.gz NUQYDKPZYWNZNH-GJZGRUSLSA-N 2 2 325.372 2.310 10 0 EEAELP COCc1noc([C@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000181901119 234371951 /nfs/dbraw/zinc/37/19/51/234371951.db2.gz DQHFIXFXNCEKKS-KBPBESRZSA-N 2 2 331.420 2.414 10 0 EEAELP COCc1noc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000181901119 234371955 /nfs/dbraw/zinc/37/19/55/234371955.db2.gz DQHFIXFXNCEKKS-KBPBESRZSA-N 2 2 331.420 2.414 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000340716619 283125770 /nfs/dbraw/zinc/12/57/70/283125770.db2.gz UJTWFRGXJRALHK-HOTGVXAUSA-N 2 2 336.867 2.090 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000340716619 283125776 /nfs/dbraw/zinc/12/57/76/283125776.db2.gz UJTWFRGXJRALHK-HOTGVXAUSA-N 2 2 336.867 2.090 10 0 EEAELP Fc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422737622 240203056 /nfs/dbraw/zinc/20/30/56/240203056.db2.gz ZYXJGGSOYHIKMX-CABCVRRESA-N 2 2 343.240 2.445 10 0 EEAELP Cc1ccccc1C1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCOCC1 ZINC000422875712 240270330 /nfs/dbraw/zinc/27/03/30/240270330.db2.gz CYBJRZQGYFVPHA-UXHICEINSA-N 2 2 344.499 2.400 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000446754836 242218017 /nfs/dbraw/zinc/21/80/17/242218017.db2.gz ROFZJGMXHYFOIR-WMZOPIPTSA-N 2 2 329.448 2.102 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000446754836 242218019 /nfs/dbraw/zinc/21/80/19/242218019.db2.gz ROFZJGMXHYFOIR-WMZOPIPTSA-N 2 2 329.448 2.102 10 0 EEAELP Cn1ccc([C@@H]([NH2+]CCOCC[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000447596072 242292045 /nfs/dbraw/zinc/29/20/45/242292045.db2.gz BPFFMZNRGVNITQ-KRWDZBQOSA-N 2 2 336.867 2.331 10 0 EEAELP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000069461296 203004644 /nfs/dbraw/zinc/00/46/44/203004644.db2.gz XCPKXIGTYGDHAP-MRXNPFEDSA-N 2 2 344.434 2.130 10 0 EEAELP Cn1cc[nH+]c1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000069461296 203004648 /nfs/dbraw/zinc/00/46/48/203004648.db2.gz XCPKXIGTYGDHAP-MRXNPFEDSA-N 2 2 344.434 2.130 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000105896383 204177913 /nfs/dbraw/zinc/17/79/13/204177913.db2.gz PCHHNZSZOXFBNG-AWEZNQCLSA-N 2 2 332.473 2.460 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000105896383 204177914 /nfs/dbraw/zinc/17/79/14/204177914.db2.gz PCHHNZSZOXFBNG-AWEZNQCLSA-N 2 2 332.473 2.460 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[NH+]1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000132489201 205328537 /nfs/dbraw/zinc/32/85/37/205328537.db2.gz RWDBOBNMMXWABE-CABCVRRESA-N 2 2 344.484 2.487 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000449397681 285259165 /nfs/dbraw/zinc/25/91/65/285259165.db2.gz VPEWPVMOEDUJPR-CYBMUJFWSA-N 2 2 332.366 2.364 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000449397681 285259167 /nfs/dbraw/zinc/25/91/67/285259167.db2.gz VPEWPVMOEDUJPR-CYBMUJFWSA-N 2 2 332.366 2.364 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@]3([NH+](C)C)CCSC3)ccc2[nH+]1 ZINC000267984405 256102286 /nfs/dbraw/zinc/10/22/86/256102286.db2.gz PURVMHCPMKGRCT-MRXNPFEDSA-N 2 2 333.461 2.202 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1OC ZINC000093147783 286305687 /nfs/dbraw/zinc/30/56/87/286305687.db2.gz CMIOLGBEZXBACN-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1OC ZINC000093147783 286305689 /nfs/dbraw/zinc/30/56/89/286305689.db2.gz CMIOLGBEZXBACN-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262973674 152348873 /nfs/dbraw/zinc/34/88/73/152348873.db2.gz MAAVSNXRDYWMTG-OAHLLOKOSA-N 2 2 325.403 2.140 10 0 EEAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262973674 152348874 /nfs/dbraw/zinc/34/88/74/152348874.db2.gz MAAVSNXRDYWMTG-OAHLLOKOSA-N 2 2 325.403 2.140 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207671 154003715 /nfs/dbraw/zinc/00/37/15/154003715.db2.gz JWQLFVSDSNVDAA-ZDUSSCGKSA-N 2 2 330.407 2.433 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374207671 154003719 /nfs/dbraw/zinc/00/37/19/154003719.db2.gz JWQLFVSDSNVDAA-ZDUSSCGKSA-N 2 2 330.407 2.433 10 0 EEAELP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cncnc1 ZINC000374283048 154030545 /nfs/dbraw/zinc/03/05/45/154030545.db2.gz IRUSPBOZWJMJJN-UHFFFAOYSA-N 3 2 331.508 2.105 10 0 EEAELP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cncnc1 ZINC000374283048 154030547 /nfs/dbraw/zinc/03/05/47/154030547.db2.gz IRUSPBOZWJMJJN-UHFFFAOYSA-N 3 2 331.508 2.105 10 0 EEAELP CC(=O)Nc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000101726942 159256736 /nfs/dbraw/zinc/25/67/36/159256736.db2.gz NVFPWZPHLROLQX-HNNXBMFYSA-N 2 2 331.460 2.330 10 0 EEAELP CC(=O)Nc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000101726942 159256738 /nfs/dbraw/zinc/25/67/38/159256738.db2.gz NVFPWZPHLROLQX-HNNXBMFYSA-N 2 2 331.460 2.330 10 0 EEAELP COC(=O)c1ccccc1CC[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000186727164 160081117 /nfs/dbraw/zinc/08/11/17/160081117.db2.gz JMWISEONKRUNNT-INIZCTEOSA-N 2 2 346.471 2.201 10 0 EEAELP COC(=O)c1ccccc1CC[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000186727164 160081119 /nfs/dbraw/zinc/08/11/19/160081119.db2.gz JMWISEONKRUNNT-INIZCTEOSA-N 2 2 346.471 2.201 10 0 EEAELP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000188903393 160131927 /nfs/dbraw/zinc/13/19/27/160131927.db2.gz SOOOOFKORSMYFY-UYAOXDASSA-N 2 2 347.503 2.202 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000194193061 160191279 /nfs/dbraw/zinc/19/12/79/160191279.db2.gz JZQVIGGVHSEMDV-QGZVFWFLSA-N 2 2 330.476 2.207 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000194193061 160191280 /nfs/dbraw/zinc/19/12/80/160191280.db2.gz JZQVIGGVHSEMDV-QGZVFWFLSA-N 2 2 330.476 2.207 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1n1cc[nH+]c1 ZINC000246810805 160295220 /nfs/dbraw/zinc/29/52/20/160295220.db2.gz AAXMMWVVVNXLBB-NZSAHSFTSA-N 2 2 340.471 2.466 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000247065251 160307889 /nfs/dbraw/zinc/30/78/89/160307889.db2.gz OHGLHJZGFRFYQK-JKSUJKDBSA-N 2 2 335.473 2.295 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000247065251 160307891 /nfs/dbraw/zinc/30/78/91/160307891.db2.gz OHGLHJZGFRFYQK-JKSUJKDBSA-N 2 2 335.473 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247115577 160310541 /nfs/dbraw/zinc/31/05/41/160310541.db2.gz YPKHGVUENZMGJA-ZWKOTPCHSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247115577 160310542 /nfs/dbraw/zinc/31/05/42/160310542.db2.gz YPKHGVUENZMGJA-ZWKOTPCHSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247115577 160310543 /nfs/dbraw/zinc/31/05/43/160310543.db2.gz YPKHGVUENZMGJA-ZWKOTPCHSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247115577 160310544 /nfs/dbraw/zinc/31/05/44/160310544.db2.gz YPKHGVUENZMGJA-ZWKOTPCHSA-N 2 2 347.503 2.295 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCCc4ccccc43)CC[C@H]21 ZINC000248131212 160339176 /nfs/dbraw/zinc/33/91/76/160339176.db2.gz OMSVZFLRJVVIOP-QZTJIDSGSA-N 2 2 327.472 2.382 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCCc4ccccc43)CC[C@H]21 ZINC000248131212 160339177 /nfs/dbraw/zinc/33/91/77/160339177.db2.gz OMSVZFLRJVVIOP-QZTJIDSGSA-N 2 2 327.472 2.382 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCCc4ccccc43)CC[C@H]21 ZINC000248131212 160339178 /nfs/dbraw/zinc/33/91/78/160339178.db2.gz OMSVZFLRJVVIOP-QZTJIDSGSA-N 2 2 327.472 2.382 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCCc4ccccc43)CC[C@H]21 ZINC000248131212 160339181 /nfs/dbraw/zinc/33/91/81/160339181.db2.gz OMSVZFLRJVVIOP-QZTJIDSGSA-N 2 2 327.472 2.382 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CS(C)(=O)=O)c(C)c1 ZINC000341880967 161020972 /nfs/dbraw/zinc/02/09/72/161020972.db2.gz QHBRLVKUTHEUDA-NVXWUHKLSA-N 2 2 335.473 2.264 10 0 EEAELP C[N@H+](CC(=O)N1CCC(c2ccccc2)=N1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921215 162346042 /nfs/dbraw/zinc/34/60/42/162346042.db2.gz GKTWGZPITBRDTO-JWTNVVGKSA-N 2 2 340.471 2.180 10 0 EEAELP C[N@@H+](CC(=O)N1CCC(c2ccccc2)=N1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921215 162346045 /nfs/dbraw/zinc/34/60/45/162346045.db2.gz GKTWGZPITBRDTO-JWTNVVGKSA-N 2 2 340.471 2.180 10 0 EEAELP C[NH+](CC(=O)N1CCC(c2ccccc2)=N1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921215 162346047 /nfs/dbraw/zinc/34/60/47/162346047.db2.gz GKTWGZPITBRDTO-JWTNVVGKSA-N 2 2 340.471 2.180 10 0 EEAELP C[NH+](CC(=O)N1CCC(c2ccccc2)=N1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921215 162346048 /nfs/dbraw/zinc/34/60/48/162346048.db2.gz GKTWGZPITBRDTO-JWTNVVGKSA-N 2 2 340.471 2.180 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N1CCn2cc(C)[nH+]c2C1)CC(C)C ZINC000367794680 166004668 /nfs/dbraw/zinc/00/46/68/166004668.db2.gz MBUNJEFKHRHWGW-INIZCTEOSA-N 2 2 335.496 2.473 10 0 EEAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000356265628 163386386 /nfs/dbraw/zinc/38/63/86/163386386.db2.gz OJRWVTJZFYVFKY-LSDHHAIUSA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000356265628 163386389 /nfs/dbraw/zinc/38/63/89/163386389.db2.gz OJRWVTJZFYVFKY-LSDHHAIUSA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000356265628 163386392 /nfs/dbraw/zinc/38/63/92/163386392.db2.gz OJRWVTJZFYVFKY-LSDHHAIUSA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000356265628 163386395 /nfs/dbraw/zinc/38/63/95/163386395.db2.gz OJRWVTJZFYVFKY-LSDHHAIUSA-N 2 2 332.492 2.438 10 0 EEAELP C[N@H+](CCCNC(=O)C1([NH+]2CCOCC2)CCC1)C1CCCCC1 ZINC000364686075 165232772 /nfs/dbraw/zinc/23/27/72/165232772.db2.gz NNCLQBUAWMGGPZ-UHFFFAOYSA-N 2 2 337.508 2.012 10 0 EEAELP C[N@@H+](CCCNC(=O)C1([NH+]2CCOCC2)CCC1)C1CCCCC1 ZINC000364686075 165232777 /nfs/dbraw/zinc/23/27/77/165232777.db2.gz NNCLQBUAWMGGPZ-UHFFFAOYSA-N 2 2 337.508 2.012 10 0 EEAELP Cc1csc2nc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)cc(=O)n12 ZINC000369341068 166241058 /nfs/dbraw/zinc/24/10/58/166241058.db2.gz BTQVCZUTZBGCFH-UHFFFAOYSA-N 2 2 329.429 2.167 10 0 EEAELP C[NH+](C)CCN1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000274835410 269061017 /nfs/dbraw/zinc/06/10/17/269061017.db2.gz UHHZHHSQHFCKMY-UHFFFAOYSA-N 2 2 327.270 2.282 10 0 EEAELP CN(C)CC[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000274835410 269061019 /nfs/dbraw/zinc/06/10/19/269061019.db2.gz UHHZHHSQHFCKMY-UHFFFAOYSA-N 2 2 327.270 2.282 10 0 EEAELP C[C@@H](CCNc1nc2c(cnn2C)c(N)[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000278182472 269213855 /nfs/dbraw/zinc/21/38/55/269213855.db2.gz DDYVZTXPRBDTMF-ZDUSSCGKSA-N 2 2 339.447 2.268 10 0 EEAELP C[C@@H](CCNc1nc2c(cnn2C)c(N)[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000278182472 269213857 /nfs/dbraw/zinc/21/38/57/269213857.db2.gz DDYVZTXPRBDTMF-ZDUSSCGKSA-N 2 2 339.447 2.268 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897267 274040188 /nfs/dbraw/zinc/04/01/88/274040188.db2.gz GTHXHOOSQKJQSO-CYBMUJFWSA-N 2 2 334.383 2.059 10 0 EEAELP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000272017083 274163818 /nfs/dbraw/zinc/16/38/18/274163818.db2.gz KRJFKPSVUPNPJA-UHFFFAOYSA-N 2 2 331.420 2.082 10 0 EEAELP CC(C)(C[NH2+][C@H]1CCC(=O)NC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000494894981 277303406 /nfs/dbraw/zinc/30/34/06/277303406.db2.gz TZUKGBBIOCDZGN-KRWDZBQOSA-N 2 2 329.488 2.470 10 0 EEAELP CC(C)(C[NH2+][C@H]1CCC(=O)NC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000494894981 277303407 /nfs/dbraw/zinc/30/34/07/277303407.db2.gz TZUKGBBIOCDZGN-KRWDZBQOSA-N 2 2 329.488 2.470 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cn2c1 ZINC000264958472 281155988 /nfs/dbraw/zinc/15/59/88/281155988.db2.gz ACDZITMHZBDQMG-GDBMZVCRSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cn2c1 ZINC000264958472 281155989 /nfs/dbraw/zinc/15/59/89/281155989.db2.gz ACDZITMHZBDQMG-GDBMZVCRSA-N 2 2 327.432 2.021 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000366896355 290136696 /nfs/dbraw/zinc/13/66/96/290136696.db2.gz OETCFOOIXCLXKK-HZPDHXFCSA-N 2 2 336.867 2.042 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000366896355 290136699 /nfs/dbraw/zinc/13/66/99/290136699.db2.gz OETCFOOIXCLXKK-HZPDHXFCSA-N 2 2 336.867 2.042 10 0 EEAELP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+]C3(C(C)C)CC3)CC2)cc1 ZINC000292980863 293093905 /nfs/dbraw/zinc/09/39/05/293093905.db2.gz LEJLGDIPCYLHBW-UHFFFAOYSA-N 2 2 345.487 2.118 10 0 EEAELP Cc1ccncc1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262052716 302289212 /nfs/dbraw/zinc/28/92/12/302289212.db2.gz ZUSFSYVIEXKUSP-KRWDZBQOSA-N 2 2 325.460 2.268 10 0 EEAELP Cc1ccncc1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262052716 302289216 /nfs/dbraw/zinc/28/92/16/302289216.db2.gz ZUSFSYVIEXKUSP-KRWDZBQOSA-N 2 2 325.460 2.268 10 0 EEAELP Cc1ccncc1CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262052716 302289219 /nfs/dbraw/zinc/28/92/19/302289219.db2.gz ZUSFSYVIEXKUSP-KRWDZBQOSA-N 2 2 325.460 2.268 10 0 EEAELP CNC(=O)C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352704521 312386078 /nfs/dbraw/zinc/38/60/78/312386078.db2.gz JYQDMXCCXLIUCW-OAHLLOKOSA-N 2 2 332.473 2.172 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)n1C ZINC000414363594 313005212 /nfs/dbraw/zinc/00/52/12/313005212.db2.gz GVXNQFWWTNEFRW-IAGOWNOFSA-N 2 2 349.429 2.299 10 0 EEAELP Cc1c[nH+]cn1C1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000519044444 316758774 /nfs/dbraw/zinc/75/87/74/316758774.db2.gz JIHHGZORGBVNRM-UHFFFAOYSA-N 2 2 343.431 2.253 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000525999133 317103664 /nfs/dbraw/zinc/10/36/64/317103664.db2.gz NRWCYRAKYNBKRA-UHFFFAOYSA-N 2 2 331.464 2.316 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000525999133 317103666 /nfs/dbraw/zinc/10/36/66/317103666.db2.gz NRWCYRAKYNBKRA-UHFFFAOYSA-N 2 2 331.464 2.316 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000528019649 317304009 /nfs/dbraw/zinc/30/40/09/317304009.db2.gz BTHFNZJTVKJWQI-UHFFFAOYSA-N 2 2 327.432 2.139 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](Cc2ccccn2)CC1 ZINC000541536224 318102139 /nfs/dbraw/zinc/10/21/39/318102139.db2.gz GLQPTKMZWZBOAH-UHFFFAOYSA-N 2 2 348.454 2.289 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000541536224 318102142 /nfs/dbraw/zinc/10/21/42/318102142.db2.gz GLQPTKMZWZBOAH-UHFFFAOYSA-N 2 2 348.454 2.289 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000564986623 319136082 /nfs/dbraw/zinc/13/60/82/319136082.db2.gz AZBNLHCWIUKQTQ-FQEVSTJZSA-N 2 2 345.487 2.167 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000564986623 319136084 /nfs/dbraw/zinc/13/60/84/319136084.db2.gz AZBNLHCWIUKQTQ-FQEVSTJZSA-N 2 2 345.487 2.167 10 0 EEAELP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000565759508 319210729 /nfs/dbraw/zinc/21/07/29/319210729.db2.gz UZNQCXLJGFWXNQ-GOSISDBHSA-N 2 2 340.427 2.057 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1ccc2ccccc2c1 ZINC000566129368 319248895 /nfs/dbraw/zinc/24/88/95/319248895.db2.gz CMSQWHDECJSMIX-SJORKVTESA-N 2 2 337.423 2.450 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)COc1ccc2ccccc2c1 ZINC000566129368 319248896 /nfs/dbraw/zinc/24/88/96/319248896.db2.gz CMSQWHDECJSMIX-SJORKVTESA-N 2 2 337.423 2.450 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)Cc1ccc(F)cc1C ZINC000566220208 319261453 /nfs/dbraw/zinc/26/14/53/319261453.db2.gz ILWBXNVRXWJBCX-URLQWDBASA-N 2 2 347.478 2.111 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)Cc1ccc(F)cc1C ZINC000566220208 319261455 /nfs/dbraw/zinc/26/14/55/319261455.db2.gz ILWBXNVRXWJBCX-URLQWDBASA-N 2 2 347.478 2.111 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000566325825 319275524 /nfs/dbraw/zinc/27/55/24/319275524.db2.gz ZYBRPTLOSXGHGF-IBGZPJMESA-N 2 2 341.459 2.367 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000566325825 319275525 /nfs/dbraw/zinc/27/55/25/319275525.db2.gz ZYBRPTLOSXGHGF-IBGZPJMESA-N 2 2 341.459 2.367 10 0 EEAELP CC[NH2+]CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000567572684 319391732 /nfs/dbraw/zinc/39/17/32/319391732.db2.gz UDWKOUUBEGFIOO-OAHLLOKOSA-N 2 2 333.480 2.108 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N2CCc3ccccc3[C@H]2C[NH3+])c2[nH+]ccn21 ZINC000578321135 320307778 /nfs/dbraw/zinc/30/77/78/320307778.db2.gz WFQAPTKHHHTKCM-DAXOMENPSA-N 2 2 325.416 2.157 10 0 EEAELP CN(C)c1nc(N2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)cc[nH+]1 ZINC000578912243 323734707 /nfs/dbraw/zinc/73/47/07/323734707.db2.gz PONKHLAPYMDWKF-MRXNPFEDSA-N 2 2 345.491 2.156 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@H](C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000601105707 449692717 /nfs/dbraw/zinc/69/27/17/449692717.db2.gz NFKQVMUEVMIXSW-AWEZNQCLSA-N 2 2 334.464 2.425 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000627077450 451112836 /nfs/dbraw/zinc/11/28/36/451112836.db2.gz CJOXSVHOTFSYBR-CABCVRRESA-N 2 2 348.495 2.137 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000358283673 465037514 /nfs/dbraw/zinc/03/75/14/465037514.db2.gz GMZPGQQVUNFSHP-YJBOKZPZSA-N 2 2 336.911 2.002 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000358283673 465037515 /nfs/dbraw/zinc/03/75/15/465037515.db2.gz GMZPGQQVUNFSHP-YJBOKZPZSA-N 2 2 336.911 2.002 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000296270941 465137678 /nfs/dbraw/zinc/13/76/78/465137678.db2.gz DFTVJMQGKLFQNY-HNNXBMFYSA-N 2 2 333.411 2.144 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)n1 ZINC000351513296 465194720 /nfs/dbraw/zinc/19/47/20/465194720.db2.gz KGVHFPVXZPXRDS-KRWDZBQOSA-N 2 2 334.508 2.328 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)n1 ZINC000351513296 465194724 /nfs/dbraw/zinc/19/47/24/465194724.db2.gz KGVHFPVXZPXRDS-KRWDZBQOSA-N 2 2 334.508 2.328 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)n1 ZINC000351513296 465194726 /nfs/dbraw/zinc/19/47/26/465194726.db2.gz KGVHFPVXZPXRDS-KRWDZBQOSA-N 2 2 334.508 2.328 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)n1 ZINC000351513296 465194730 /nfs/dbraw/zinc/19/47/30/465194730.db2.gz KGVHFPVXZPXRDS-KRWDZBQOSA-N 2 2 334.508 2.328 10 0 EEAELP O[C@@H]1CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337266843 465276514 /nfs/dbraw/zinc/27/65/14/465276514.db2.gz VUPPUVRUHFEFSA-GUDVDZBRSA-N 2 2 327.428 2.234 10 0 EEAELP O[C@@H]1CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337266843 465276517 /nfs/dbraw/zinc/27/65/17/465276517.db2.gz VUPPUVRUHFEFSA-GUDVDZBRSA-N 2 2 327.428 2.234 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000337270998 465277067 /nfs/dbraw/zinc/27/70/67/465277067.db2.gz CULKVBGSOJARRR-UHFFFAOYSA-N 2 2 338.455 2.414 10 0 EEAELP CCN(CCOC)c1cccc(CN2C[C@H](C)[N@H+](CC)C[C@H]2C)[nH+]1 ZINC000351712220 465311003 /nfs/dbraw/zinc/31/10/03/465311003.db2.gz NUWAVFWUTNOOKZ-DLBZAZTESA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(CN2C[C@H](C)[N@@H+](CC)C[C@H]2C)[nH+]1 ZINC000351712220 465311006 /nfs/dbraw/zinc/31/10/06/465311006.db2.gz NUWAVFWUTNOOKZ-DLBZAZTESA-N 2 2 334.508 2.469 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cn2c1 ZINC000116400061 462757224 /nfs/dbraw/zinc/75/72/24/462757224.db2.gz POJWVTLKARWMCA-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cn2c1 ZINC000116400061 462757231 /nfs/dbraw/zinc/75/72/31/462757231.db2.gz POJWVTLKARWMCA-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000065594046 462805864 /nfs/dbraw/zinc/80/58/64/462805864.db2.gz JQDVOYMDLILFBM-FQEVSTJZSA-N 2 2 342.487 2.088 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000065594046 462805865 /nfs/dbraw/zinc/80/58/65/462805865.db2.gz JQDVOYMDLILFBM-FQEVSTJZSA-N 2 2 342.487 2.088 10 0 EEAELP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000155242360 462865809 /nfs/dbraw/zinc/86/58/09/462865809.db2.gz NKZMHZCWUKZHKG-GIESBBMHSA-N 2 2 344.503 2.329 10 0 EEAELP CC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000155242360 462865811 /nfs/dbraw/zinc/86/58/11/462865811.db2.gz NKZMHZCWUKZHKG-GIESBBMHSA-N 2 2 344.503 2.329 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)cc[nH+]1 ZINC000093562664 463041799 /nfs/dbraw/zinc/04/17/99/463041799.db2.gz CSXQMEDQYSHMBB-UHFFFAOYSA-N 2 2 333.386 2.143 10 0 EEAELP Cc1ccsc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121043653 463069912 /nfs/dbraw/zinc/06/99/12/463069912.db2.gz IHRFRGHVAIQTET-KRWDZBQOSA-N 2 2 337.533 2.283 10 0 EEAELP C[C@@H](c1ccccc1F)[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000095405129 463077535 /nfs/dbraw/zinc/07/75/35/463077535.db2.gz WMBHTSXTLDHLHN-KRWDZBQOSA-N 2 2 335.467 2.227 10 0 EEAELP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000095419099 463081290 /nfs/dbraw/zinc/08/12/90/463081290.db2.gz IGTIPLQXNHUHCN-OAHLLOKOSA-N 2 2 348.472 2.164 10 0 EEAELP COc1ccc2[nH+]c(NCCC[NH+]3CCC(C(N)=O)CC3)ccc2c1 ZINC000069161063 463214876 /nfs/dbraw/zinc/21/48/76/463214876.db2.gz PBIAGMQOPCYMGP-UHFFFAOYSA-N 2 2 342.443 2.243 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000139383399 463324232 /nfs/dbraw/zinc/32/42/32/463324232.db2.gz ATAFGWWNQKHBJZ-HNNXBMFYSA-N 2 2 329.448 2.128 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139383399 463324238 /nfs/dbraw/zinc/32/42/38/463324238.db2.gz ATAFGWWNQKHBJZ-HNNXBMFYSA-N 2 2 329.448 2.128 10 0 EEAELP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000097140622 463333706 /nfs/dbraw/zinc/33/37/06/463333706.db2.gz IAOIETWFXZRGPA-UHFFFAOYSA-N 2 2 348.809 2.295 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150838280 463437503 /nfs/dbraw/zinc/43/75/03/463437503.db2.gz NLOYDBINXLLZEZ-LJQANCHMSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150838280 463437508 /nfs/dbraw/zinc/43/75/08/463437508.db2.gz NLOYDBINXLLZEZ-LJQANCHMSA-N 2 2 329.488 2.453 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000151290813 463508001 /nfs/dbraw/zinc/50/80/01/463508001.db2.gz RTFKRAKEHPPVTE-MAUKXSAKSA-N 2 2 347.459 2.141 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)Nc1ccc(Cl)cn1 ZINC000084069705 463575314 /nfs/dbraw/zinc/57/53/14/463575314.db2.gz ZRRNPSJIDDOZPU-RYUDHWBXSA-N 2 2 333.823 2.426 10 0 EEAELP Cc1occc1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073817606 463659114 /nfs/dbraw/zinc/65/91/14/463659114.db2.gz AEDYTJOVGTYQNG-UHFFFAOYSA-N 2 2 348.491 2.338 10 0 EEAELP CC[N@H+](CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC000194097992 463789747 /nfs/dbraw/zinc/78/97/47/463789747.db2.gz OYMMSGJBTVQSMQ-UHFFFAOYSA-N 2 2 347.507 2.287 10 0 EEAELP CC[N@@H+](CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1)C(C)C ZINC000194097992 463789753 /nfs/dbraw/zinc/78/97/53/463789753.db2.gz OYMMSGJBTVQSMQ-UHFFFAOYSA-N 2 2 347.507 2.287 10 0 EEAELP Cc1noc(C[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000283236171 463814261 /nfs/dbraw/zinc/81/42/61/463814261.db2.gz TYVXFGVNFCRZSG-CYBMUJFWSA-N 2 2 333.461 2.321 10 0 EEAELP Cc1noc(C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000283236171 463814266 /nfs/dbraw/zinc/81/42/66/463814266.db2.gz TYVXFGVNFCRZSG-CYBMUJFWSA-N 2 2 333.461 2.321 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000177982454 463822919 /nfs/dbraw/zinc/82/29/19/463822919.db2.gz XIVXUQBWQXAFBV-SFHVURJKSA-N 2 2 348.466 2.137 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1F ZINC000178327985 463880713 /nfs/dbraw/zinc/88/07/13/463880713.db2.gz OXTBVPOWICQUGA-HOTGVXAUSA-N 2 2 333.407 2.235 10 0 EEAELP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000263202233 464062539 /nfs/dbraw/zinc/06/25/39/464062539.db2.gz JEPJGNUZWUKMHH-GXTWGEPZSA-N 2 2 325.403 2.229 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)C2)[nH+]1 ZINC000195516353 464063195 /nfs/dbraw/zinc/06/31/95/464063195.db2.gz QHZJQGPIUMSXRQ-AWEZNQCLSA-N 2 2 326.448 2.330 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)C2)[nH+]1 ZINC000195516353 464063200 /nfs/dbraw/zinc/06/32/00/464063200.db2.gz QHZJQGPIUMSXRQ-AWEZNQCLSA-N 2 2 326.448 2.330 10 0 EEAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515739 464063408 /nfs/dbraw/zinc/06/34/08/464063408.db2.gz HQZKBTWKDQUXRJ-HNNXBMFYSA-N 2 2 340.427 2.463 10 0 EEAELP COc1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515739 464063415 /nfs/dbraw/zinc/06/34/15/464063415.db2.gz HQZKBTWKDQUXRJ-HNNXBMFYSA-N 2 2 340.427 2.463 10 0 EEAELP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269743795 464078538 /nfs/dbraw/zinc/07/85/38/464078538.db2.gz XUXVQOBTVZKHGE-KRWDZBQOSA-N 2 2 339.443 2.291 10 0 EEAELP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000269743795 464078545 /nfs/dbraw/zinc/07/85/45/464078545.db2.gz XUXVQOBTVZKHGE-KRWDZBQOSA-N 2 2 339.443 2.291 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC000188521785 464303129 /nfs/dbraw/zinc/30/31/29/464303129.db2.gz RCWFGJRILPLZKB-UHFFFAOYSA-N 2 2 341.459 2.133 10 0 EEAELP CCc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000284848969 464365575 /nfs/dbraw/zinc/36/55/75/464365575.db2.gz DOURSZDPYDHADN-DLBZAZTESA-N 2 2 339.443 2.010 10 0 EEAELP CCc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000284848969 464365579 /nfs/dbraw/zinc/36/55/79/464365579.db2.gz DOURSZDPYDHADN-DLBZAZTESA-N 2 2 339.443 2.010 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000240333521 464446887 /nfs/dbraw/zinc/44/68/87/464446887.db2.gz FDXCRMDMHJJYLD-WCQYABFASA-N 2 2 332.839 2.430 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000240333521 464446891 /nfs/dbraw/zinc/44/68/91/464446891.db2.gz FDXCRMDMHJJYLD-WCQYABFASA-N 2 2 332.839 2.430 10 0 EEAELP CC(C)COC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000181445419 464491376 /nfs/dbraw/zinc/49/13/76/464491376.db2.gz CYTUQWHICLEMCX-HZPDHXFCSA-N 2 2 326.481 2.007 10 0 EEAELP CSCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245732236 464511353 /nfs/dbraw/zinc/51/13/53/464511353.db2.gz SEFXXFCFUWGARY-HZPDHXFCSA-N 2 2 327.538 2.145 10 0 EEAELP CSCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245732236 464511359 /nfs/dbraw/zinc/51/13/59/464511359.db2.gz SEFXXFCFUWGARY-HZPDHXFCSA-N 2 2 327.538 2.145 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)ccc2[nH+]1 ZINC000265758295 464674236 /nfs/dbraw/zinc/67/42/36/464674236.db2.gz ZACUKDDWDMXSOY-INIZCTEOSA-N 2 2 345.447 2.121 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000176107854 464700140 /nfs/dbraw/zinc/70/01/40/464700140.db2.gz XDKFGBLSSJLHNX-UHFFFAOYSA-N 2 2 325.416 2.399 10 0 EEAELP O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249894494 464922368 /nfs/dbraw/zinc/92/23/68/464922368.db2.gz RIAHFOZCECESIG-RBUKOAKNSA-N 2 2 341.455 2.393 10 0 EEAELP O[C@@H](COCc1ccccc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249894494 464922376 /nfs/dbraw/zinc/92/23/76/464922376.db2.gz RIAHFOZCECESIG-RBUKOAKNSA-N 2 2 341.455 2.393 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)C2 ZINC000359496348 465412841 /nfs/dbraw/zinc/41/28/41/465412841.db2.gz UINRFSVHGUIMMC-ZDUSSCGKSA-N 2 2 344.463 2.035 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)CC2 ZINC000359496348 465412848 /nfs/dbraw/zinc/41/28/48/465412848.db2.gz UINRFSVHGUIMMC-ZDUSSCGKSA-N 2 2 344.463 2.035 10 0 EEAELP CN(C)c1ccc(CNC(=O)c2ccccc2OCC[NH+](C)C)c[nH+]1 ZINC000298965398 465551933 /nfs/dbraw/zinc/55/19/33/465551933.db2.gz MTTPXUUAWDUZEH-UHFFFAOYSA-N 2 2 342.443 2.018 10 0 EEAELP Cc1cccc2ncc(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)n21 ZINC000362375533 465689113 /nfs/dbraw/zinc/68/91/13/465689113.db2.gz FSNJPEURBLBMMH-GOSISDBHSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccc2ncc(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)n21 ZINC000362375533 465689122 /nfs/dbraw/zinc/68/91/22/465689122.db2.gz FSNJPEURBLBMMH-GOSISDBHSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362517372 465798318 /nfs/dbraw/zinc/79/83/18/465798318.db2.gz ZCTACAYLJBPDAT-CQSZACIVSA-N 2 2 329.448 2.311 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362517372 465798328 /nfs/dbraw/zinc/79/83/28/465798328.db2.gz ZCTACAYLJBPDAT-CQSZACIVSA-N 2 2 329.448 2.311 10 0 EEAELP CNc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)[nH+]cc1Br ZINC000302767209 466180947 /nfs/dbraw/zinc/18/09/47/466180947.db2.gz YVLBFWLPVLMJSR-PWSUYJOCSA-N 2 2 340.269 2.201 10 0 EEAELP CNc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)[nH+]cc1Br ZINC000302767209 466180951 /nfs/dbraw/zinc/18/09/51/466180951.db2.gz YVLBFWLPVLMJSR-PWSUYJOCSA-N 2 2 340.269 2.201 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367538611 466401379 /nfs/dbraw/zinc/40/13/79/466401379.db2.gz QXOHPSVLSUJAQU-ACRUOGEOSA-N 3 2 343.515 2.481 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2OC)C1 ZINC000350242834 466436249 /nfs/dbraw/zinc/43/62/49/466436249.db2.gz ATLUFAVEVJENJB-INIZCTEOSA-N 2 2 349.475 2.066 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2OC)C1 ZINC000350242834 466436256 /nfs/dbraw/zinc/43/62/56/466436256.db2.gz ATLUFAVEVJENJB-INIZCTEOSA-N 2 2 349.475 2.066 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000341098405 466582755 /nfs/dbraw/zinc/58/27/55/466582755.db2.gz KVXNUWZPYHLRRJ-IYBDPMFKSA-N 2 2 343.475 2.439 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000341098405 466582758 /nfs/dbraw/zinc/58/27/58/466582758.db2.gz KVXNUWZPYHLRRJ-IYBDPMFKSA-N 2 2 343.475 2.439 10 0 EEAELP Fc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422902344 466686248 /nfs/dbraw/zinc/68/62/48/466686248.db2.gz UIOHAWLDMYOKEW-NIKGAXFTSA-N 2 2 333.451 2.009 10 0 EEAELP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000415938840 466716932 /nfs/dbraw/zinc/71/69/32/466716932.db2.gz BIDJEBGEYVVGTH-QGZVFWFLSA-N 2 2 346.475 2.125 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C[NH+]1CCCCC1 ZINC000370226692 466804815 /nfs/dbraw/zinc/80/48/15/466804815.db2.gz IAMWNDRWTWAPRY-OAHLLOKOSA-N 2 2 333.480 2.421 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C[NH+]1CCCCC1 ZINC000370226692 466804818 /nfs/dbraw/zinc/80/48/18/466804818.db2.gz IAMWNDRWTWAPRY-OAHLLOKOSA-N 2 2 333.480 2.421 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417943138 466996492 /nfs/dbraw/zinc/99/64/92/466996492.db2.gz OMGLPAVILMUDGG-GJZGRUSLSA-N 2 2 342.846 2.085 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417943138 466996496 /nfs/dbraw/zinc/99/64/96/466996496.db2.gz OMGLPAVILMUDGG-GJZGRUSLSA-N 2 2 342.846 2.085 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451839088 467269864 /nfs/dbraw/zinc/26/98/64/467269864.db2.gz NMLKSZXDUCYABN-NVXWUHKLSA-N 2 2 331.460 2.359 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451839088 467269867 /nfs/dbraw/zinc/26/98/67/467269867.db2.gz NMLKSZXDUCYABN-NVXWUHKLSA-N 2 2 331.460 2.359 10 0 EEAELP COC(=O)C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000420363873 467378605 /nfs/dbraw/zinc/37/86/05/467378605.db2.gz PXHLMEAIDMAIRM-ZDUSSCGKSA-N 2 2 326.387 2.330 10 0 EEAELP COC(=O)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000420363873 467378607 /nfs/dbraw/zinc/37/86/07/467378607.db2.gz PXHLMEAIDMAIRM-ZDUSSCGKSA-N 2 2 326.387 2.330 10 0 EEAELP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1OCC(=O)N(C)C ZINC000414126775 467380397 /nfs/dbraw/zinc/38/03/97/467380397.db2.gz PDVQSCBFONFCOM-KRWDZBQOSA-N 2 2 344.459 2.171 10 0 EEAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N(Cc1ccccc1)C1CC1 ZINC000420367385 467381518 /nfs/dbraw/zinc/38/15/18/467381518.db2.gz KAWXIDZQISNXLQ-HXUWFJFHSA-N 2 2 327.472 2.253 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N(Cc1ccccc1)C1CC1 ZINC000420367385 467381524 /nfs/dbraw/zinc/38/15/24/467381524.db2.gz KAWXIDZQISNXLQ-HXUWFJFHSA-N 2 2 327.472 2.253 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@H]1CCCc2ccccc21 ZINC000420378949 467385652 /nfs/dbraw/zinc/38/56/52/467385652.db2.gz QVIMUPPBEFGQAB-ICSRJNTNSA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@H]1CCCc2ccccc21 ZINC000420378949 467385655 /nfs/dbraw/zinc/38/56/55/467385655.db2.gz QVIMUPPBEFGQAB-ICSRJNTNSA-N 2 2 327.472 2.256 10 0 EEAELP CC1(C)CC(NC(=O)NCc2cn3c([nH+]2)CCCC3)CC(C)(C)[NH2+]1 ZINC000407999039 467492729 /nfs/dbraw/zinc/49/27/29/467492729.db2.gz STWVWEHKNSCWGB-UHFFFAOYSA-N 2 2 333.480 2.328 10 0 EEAELP CC[C@H](C)[NH+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000457802974 467708761 /nfs/dbraw/zinc/70/87/61/467708761.db2.gz ZBZVHBHGFAKZNM-INIZCTEOSA-N 2 2 345.491 2.176 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1 ZINC000457460414 467829162 /nfs/dbraw/zinc/82/91/62/467829162.db2.gz QVXOSMSTZOHZGJ-SFHVURJKSA-N 2 2 343.475 2.345 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC2CCC(C(F)F)CC2)CC1 ZINC000458586686 467862996 /nfs/dbraw/zinc/86/29/96/467862996.db2.gz JHCVUYWUSZQWGV-UHFFFAOYSA-N 2 2 346.466 2.136 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC000530286761 467972804 /nfs/dbraw/zinc/97/28/04/467972804.db2.gz XSVDNLPBSBJEHF-KFWWJZLASA-N 2 2 330.476 2.333 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC000530286761 467972807 /nfs/dbraw/zinc/97/28/07/467972807.db2.gz XSVDNLPBSBJEHF-KFWWJZLASA-N 2 2 330.476 2.333 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000530286761 467972808 /nfs/dbraw/zinc/97/28/08/467972808.db2.gz XSVDNLPBSBJEHF-KFWWJZLASA-N 2 2 330.476 2.333 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)CC2 ZINC000530286761 467972811 /nfs/dbraw/zinc/97/28/11/467972811.db2.gz XSVDNLPBSBJEHF-KFWWJZLASA-N 2 2 330.476 2.333 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909197 468054219 /nfs/dbraw/zinc/05/42/19/468054219.db2.gz HIZOVMUXGOGCLL-ZBFHGGJFSA-N 2 2 345.487 2.414 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909197 468054220 /nfs/dbraw/zinc/05/42/20/468054220.db2.gz HIZOVMUXGOGCLL-ZBFHGGJFSA-N 2 2 345.487 2.414 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000519743822 468203013 /nfs/dbraw/zinc/20/30/13/468203013.db2.gz LCVARSAOVITZGP-HSZRJFAPSA-N 2 2 332.473 2.309 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000519743822 468203015 /nfs/dbraw/zinc/20/30/15/468203015.db2.gz LCVARSAOVITZGP-HSZRJFAPSA-N 2 2 332.473 2.309 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1nc2c(s1)CCC2 ZINC000591869452 468537317 /nfs/dbraw/zinc/53/73/17/468537317.db2.gz XGCJTXSHJQQHOP-GFCCVEGCSA-N 2 2 331.445 2.104 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1nc2c(s1)CCC2 ZINC000591869452 468537320 /nfs/dbraw/zinc/53/73/20/468537320.db2.gz XGCJTXSHJQQHOP-GFCCVEGCSA-N 2 2 331.445 2.104 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC[C@@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000569920866 468564444 /nfs/dbraw/zinc/56/44/44/468564444.db2.gz LJSGOMWFVJTUML-QUCCMNQESA-N 2 2 342.487 2.286 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC[C@@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000569920866 468564447 /nfs/dbraw/zinc/56/44/47/468564447.db2.gz LJSGOMWFVJTUML-QUCCMNQESA-N 2 2 342.487 2.286 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)[C@H]1n1cccn1 ZINC000570062730 468585509 /nfs/dbraw/zinc/58/55/09/468585509.db2.gz WKYDKZSBCFLDMW-LZLYRXPVSA-N 2 2 325.416 2.348 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000594937260 468727244 /nfs/dbraw/zinc/72/72/44/468727244.db2.gz HHCVALHXGWGHKM-JCHJZTRSSA-N 2 2 346.471 2.065 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000594937260 468727250 /nfs/dbraw/zinc/72/72/50/468727250.db2.gz HHCVALHXGWGHKM-JCHJZTRSSA-N 2 2 346.471 2.065 10 0 EEAELP CC[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000559343087 468738571 /nfs/dbraw/zinc/73/85/71/468738571.db2.gz QGXLRKJQERUJDI-AHRSYUTCSA-N 2 2 332.488 2.200 10 0 EEAELP CC[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCO1 ZINC000559343087 468738574 /nfs/dbraw/zinc/73/85/74/468738574.db2.gz QGXLRKJQERUJDI-AHRSYUTCSA-N 2 2 332.488 2.200 10 0 EEAELP C[C@H](CSCCF)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000595008916 468742113 /nfs/dbraw/zinc/74/21/13/468742113.db2.gz WHQUYYCREWBVKG-RHSMWYFYSA-N 2 2 326.481 2.086 10 0 EEAELP C[C@H](CSCCF)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000595008916 468742116 /nfs/dbraw/zinc/74/21/16/468742116.db2.gz WHQUYYCREWBVKG-RHSMWYFYSA-N 2 2 326.481 2.086 10 0 EEAELP CCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000584189823 468817270 /nfs/dbraw/zinc/81/72/70/468817270.db2.gz VFGIZPLMQWQYNT-GOSISDBHSA-N 2 2 326.444 2.396 10 0 EEAELP CCC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000584189823 468817273 /nfs/dbraw/zinc/81/72/73/468817273.db2.gz VFGIZPLMQWQYNT-GOSISDBHSA-N 2 2 326.444 2.396 10 0 EEAELP [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000560960142 468855355 /nfs/dbraw/zinc/85/53/55/468855355.db2.gz XELJNFRSHWBYKL-STQMWFEESA-N 2 2 337.493 2.378 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000561148559 468867777 /nfs/dbraw/zinc/86/77/77/468867777.db2.gz JNTFIPSZXYYJSA-SJORKVTESA-N 2 2 339.443 2.045 10 0 EEAELP CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595890491 469066113 /nfs/dbraw/zinc/06/61/13/469066113.db2.gz DHWKAGTVZGRPGJ-IAGOWNOFSA-N 2 2 332.444 2.134 10 0 EEAELP CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595890491 469066116 /nfs/dbraw/zinc/06/61/16/469066116.db2.gz DHWKAGTVZGRPGJ-IAGOWNOFSA-N 2 2 332.444 2.134 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc(-c3cnco3)c2)CC1 ZINC000611975210 469356209 /nfs/dbraw/zinc/35/62/09/469356209.db2.gz YMVJAXAQRLHEPF-UHFFFAOYSA-N 2 2 342.443 2.097 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C(F)F)ccc1F ZINC000622144190 469381519 /nfs/dbraw/zinc/38/15/19/469381519.db2.gz WSBHLQIOTQKAIZ-UHFFFAOYSA-N 2 2 331.382 2.377 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C(F)F)ccc1F ZINC000622144190 469381525 /nfs/dbraw/zinc/38/15/25/469381525.db2.gz WSBHLQIOTQKAIZ-UHFFFAOYSA-N 2 2 331.382 2.377 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000626088550 469499087 /nfs/dbraw/zinc/49/90/87/469499087.db2.gz CYHDJDRQLHJBGG-LJQANCHMSA-N 2 2 332.488 2.167 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@]2(C)CC[NH2+]C2)c(C)c1 ZINC000612896781 469574287 /nfs/dbraw/zinc/57/42/87/469574287.db2.gz MIBCBBHEFJKIDU-PKOBYXMFSA-N 2 2 341.459 2.292 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000629540129 469574395 /nfs/dbraw/zinc/57/43/95/469574395.db2.gz QZLRSKMIBRKXBK-IIAWOOMASA-N 2 2 337.489 2.018 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000629540131 469574560 /nfs/dbraw/zinc/57/45/60/469574560.db2.gz QZLRSKMIBRKXBK-IJEWVQPXSA-N 2 2 337.489 2.018 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629660370 469601265 /nfs/dbraw/zinc/60/12/65/469601265.db2.gz SLAONZNEPFEBHV-HKUYNNGSSA-N 3 2 330.520 2.449 10 0 EEAELP COCCn1cc(C[NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000608072899 469767332 /nfs/dbraw/zinc/76/73/32/469767332.db2.gz MIOVZHOASWZULX-GOSISDBHSA-N 2 2 339.443 2.337 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc(C(F)F)c1 ZINC000617763920 469795416 /nfs/dbraw/zinc/79/54/16/469795416.db2.gz BOEBQCZVXCWZFI-UHFFFAOYSA-N 2 2 327.419 2.166 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc(C(F)F)c1 ZINC000617763920 469795420 /nfs/dbraw/zinc/79/54/20/469795420.db2.gz BOEBQCZVXCWZFI-UHFFFAOYSA-N 2 2 327.419 2.166 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000617766874 469797619 /nfs/dbraw/zinc/79/76/19/469797619.db2.gz XMIDPCHBIUHIJG-CTNGQTDRSA-N 2 2 343.515 2.280 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@]12CCCc1ccccc12 ZINC000617766874 469797620 /nfs/dbraw/zinc/79/76/20/469797620.db2.gz XMIDPCHBIUHIJG-CTNGQTDRSA-N 2 2 343.515 2.280 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000617768198 469799371 /nfs/dbraw/zinc/79/93/71/469799371.db2.gz UAQMFGQSQBGCPQ-UHFFFAOYSA-N 2 2 342.487 2.020 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(-n2cccc2)cc1 ZINC000617768198 469799374 /nfs/dbraw/zinc/79/93/74/469799374.db2.gz UAQMFGQSQBGCPQ-UHFFFAOYSA-N 2 2 342.487 2.020 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621371646 470038621 /nfs/dbraw/zinc/03/86/21/470038621.db2.gz HVDNHKCQJQKLAM-YCPHGPKFSA-N 2 2 342.443 2.354 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621371646 470038624 /nfs/dbraw/zinc/03/86/24/470038624.db2.gz HVDNHKCQJQKLAM-YCPHGPKFSA-N 2 2 342.443 2.354 10 0 EEAELP c1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nnn1C[C@H]1CCOC1 ZINC000631083700 470064739 /nfs/dbraw/zinc/06/47/39/470064739.db2.gz QNBXLANERVWYAW-MRXNPFEDSA-N 2 2 347.507 2.201 10 0 EEAELP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631321782 470120244 /nfs/dbraw/zinc/12/02/44/470120244.db2.gz MZASCSCNDBWJKG-KRWDZBQOSA-N 2 2 326.444 2.215 10 0 EEAELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631321782 470120248 /nfs/dbraw/zinc/12/02/48/470120248.db2.gz MZASCSCNDBWJKG-KRWDZBQOSA-N 2 2 326.444 2.215 10 0 EEAELP C[NH+](C)CCCS(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000632105082 470202265 /nfs/dbraw/zinc/20/22/65/470202265.db2.gz QBRXBTNJHSWYFD-UHFFFAOYSA-N 2 2 333.457 2.370 10 0 EEAELP F[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000634554980 470266322 /nfs/dbraw/zinc/26/63/22/470266322.db2.gz VHUPOESNWZGOGC-HZPDHXFCSA-N 2 2 346.406 2.189 10 0 EEAELP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)[NH+](C)C ZINC000634711786 470284236 /nfs/dbraw/zinc/28/42/36/470284236.db2.gz UNZCKAKEANVLPZ-MFHCWRBVSA-N 2 2 334.504 2.488 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269585 470587264 /nfs/dbraw/zinc/58/72/64/470587264.db2.gz NHADFEWWGSQSBY-GOEBONIOSA-N 2 2 325.815 2.093 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269585 470587269 /nfs/dbraw/zinc/58/72/69/470587269.db2.gz NHADFEWWGSQSBY-GOEBONIOSA-N 2 2 325.815 2.093 10 0 EEAELP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000635442953 470588997 /nfs/dbraw/zinc/58/89/97/470588997.db2.gz IVEPOMYYBGSTIC-HUUCEWRRSA-N 2 2 341.415 2.042 10 0 EEAELP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000635442953 470589002 /nfs/dbraw/zinc/58/90/02/470589002.db2.gz IVEPOMYYBGSTIC-HUUCEWRRSA-N 2 2 341.415 2.042 10 0 EEAELP OC1(C2CC[NH+](CCC[NH+]3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000649670698 470661829 /nfs/dbraw/zinc/66/18/29/470661829.db2.gz WHCDRRRZYBWMJC-UHFFFAOYSA-N 2 2 343.515 2.436 10 0 EEAELP Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(N2CCCC2)[nH+]1 ZINC000635785233 470753621 /nfs/dbraw/zinc/75/36/21/470753621.db2.gz GIEJPMNXUZRIKI-HUUCEWRRSA-N 2 2 325.416 2.133 10 0 EEAELP COc1ncncc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000647195833 470855109 /nfs/dbraw/zinc/85/51/09/470855109.db2.gz FYUKJQJGTFENFL-CQSZACIVSA-N 2 2 327.432 2.195 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CO[C@@H]1CCCc2ccccc21 ZINC000644651017 471004931 /nfs/dbraw/zinc/00/49/31/471004931.db2.gz MGMWCEYMCSILGV-JXXFODFXSA-N 2 2 341.455 2.312 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)CO[C@@H]1CCCc2ccccc21 ZINC000644651017 471004936 /nfs/dbraw/zinc/00/49/36/471004936.db2.gz MGMWCEYMCSILGV-JXXFODFXSA-N 2 2 341.455 2.312 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000651017316 471026029 /nfs/dbraw/zinc/02/60/29/471026029.db2.gz FQGMFPRCDUKUDN-UHFFFAOYSA-N 2 2 344.484 2.168 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000654581332 471081379 /nfs/dbraw/zinc/08/13/79/471081379.db2.gz BNVHUHMJFRCNSS-HNNXBMFYSA-N 2 2 328.416 2.242 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000654581332 471081386 /nfs/dbraw/zinc/08/13/86/471081386.db2.gz BNVHUHMJFRCNSS-HNNXBMFYSA-N 2 2 328.416 2.242 10 0 EEAELP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000657293880 471086092 /nfs/dbraw/zinc/08/60/92/471086092.db2.gz VYEWWGBXQDREAT-UHFFFAOYSA-N 2 2 340.471 2.420 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000657360404 471112387 /nfs/dbraw/zinc/11/23/87/471112387.db2.gz GJLXALOVYOFPQJ-QGZVFWFLSA-N 2 2 332.492 2.421 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000645012038 471118416 /nfs/dbraw/zinc/11/84/16/471118416.db2.gz LNBAQAIZBYUOAS-NHCUHLMSSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000645012038 471118419 /nfs/dbraw/zinc/11/84/19/471118419.db2.gz LNBAQAIZBYUOAS-NHCUHLMSSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@H](O)Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000645012038 471118424 /nfs/dbraw/zinc/11/84/24/471118424.db2.gz LNBAQAIZBYUOAS-NHCUHLMSSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@H](O)Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000645012038 471118431 /nfs/dbraw/zinc/11/84/31/471118431.db2.gz LNBAQAIZBYUOAS-NHCUHLMSSA-N 2 2 342.483 2.015 10 0 EEAELP CC(C)[C@@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@H+]1Cc1ccccc1 ZINC000638514683 471128182 /nfs/dbraw/zinc/12/81/82/471128182.db2.gz VZAYKLUCQSRGQO-IBGZPJMESA-N 2 2 338.455 2.477 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000645328750 471217719 /nfs/dbraw/zinc/21/77/19/471217719.db2.gz ZDXMMUCMOKEDBA-OKZBNKHCSA-N 2 2 348.535 2.425 10 0 EEAELP C1C[C@@H]([NH+]2CCC([NH2+][C@H]3CCOC4(CCSCC4)C3)CC2)CO1 ZINC000655735732 471461725 /nfs/dbraw/zinc/46/17/25/471461725.db2.gz XWJGKGQWIDUUAU-DLBZAZTESA-N 2 2 340.533 2.274 10 0 EEAELP C1C[C@@H]([NH+]2CCC([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC2)CO1 ZINC000655735734 471461782 /nfs/dbraw/zinc/46/17/82/471461782.db2.gz XWJGKGQWIDUUAU-IAGOWNOFSA-N 2 2 340.533 2.274 10 0 EEAELP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655776116 471478099 /nfs/dbraw/zinc/47/80/99/471478099.db2.gz ICPIAYNJXWBJTB-IEBWSBKVSA-N 2 2 333.451 2.247 10 0 EEAELP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000655777366 471479695 /nfs/dbraw/zinc/47/96/95/471479695.db2.gz RDRDOSKFZMNLOT-QGZVFWFLSA-N 2 2 346.450 2.256 10 0 EEAELP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000655777366 471479701 /nfs/dbraw/zinc/47/97/01/471479701.db2.gz RDRDOSKFZMNLOT-QGZVFWFLSA-N 2 2 346.450 2.256 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000669540551 471541549 /nfs/dbraw/zinc/54/15/49/471541549.db2.gz FJAIQDUYUZEZSM-AEFFLSMTSA-N 2 2 341.459 2.374 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](c1ccccc1)C(F)F ZINC000667141280 471668873 /nfs/dbraw/zinc/66/88/73/471668873.db2.gz WUCYDNGTXCJIEJ-OAHLLOKOSA-N 2 2 342.434 2.176 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](c1ccccc1)C(F)F ZINC000667141280 471668877 /nfs/dbraw/zinc/66/88/77/471668877.db2.gz WUCYDNGTXCJIEJ-OAHLLOKOSA-N 2 2 342.434 2.176 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000667352963 471752204 /nfs/dbraw/zinc/75/22/04/471752204.db2.gz HHHSYPSXYXIBCR-YJBOKZPZSA-N 2 2 326.444 2.242 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)cc1 ZINC000667352963 471752206 /nfs/dbraw/zinc/75/22/06/471752206.db2.gz HHHSYPSXYXIBCR-YJBOKZPZSA-N 2 2 326.444 2.242 10 0 EEAELP O=C(NCc1ccccc1)C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667487789 471796937 /nfs/dbraw/zinc/79/69/37/471796937.db2.gz JVQFWDWQNFCMOG-UHFFFAOYSA-N 2 2 338.455 2.358 10 0 EEAELP Cc1cc(NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)nc(C)[nH+]1 ZINC000664628427 471815074 /nfs/dbraw/zinc/81/50/74/471815074.db2.gz ZMGVCRBGQRUXMA-SFHVURJKSA-N 2 2 325.460 2.322 10 0 EEAELP Cc1cc(NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)nc(C)[nH+]1 ZINC000664628427 471815082 /nfs/dbraw/zinc/81/50/82/471815082.db2.gz ZMGVCRBGQRUXMA-SFHVURJKSA-N 2 2 325.460 2.322 10 0 EEAELP Cc1cc(NC[C@H]2CN(C)CC[N@@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000664628427 471815088 /nfs/dbraw/zinc/81/50/88/471815088.db2.gz ZMGVCRBGQRUXMA-SFHVURJKSA-N 2 2 325.460 2.322 10 0 EEAELP Cc1cc(NC[C@H]2CN(C)CC[N@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000664628427 471815094 /nfs/dbraw/zinc/81/50/94/471815094.db2.gz ZMGVCRBGQRUXMA-SFHVURJKSA-N 2 2 325.460 2.322 10 0 EEAELP Cc1cc(Br)c(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)s1 ZINC000656715342 471817610 /nfs/dbraw/zinc/81/76/10/471817610.db2.gz SAULEJWBJJUWQM-NSHDSACASA-N 2 2 333.295 2.364 10 0 EEAELP Cc1cc(Br)c(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)s1 ZINC000656715342 471817614 /nfs/dbraw/zinc/81/76/14/471817614.db2.gz SAULEJWBJJUWQM-NSHDSACASA-N 2 2 333.295 2.364 10 0 EEAELP O[C@]1(C2CC2)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661634065 471835579 /nfs/dbraw/zinc/83/55/79/471835579.db2.gz YXDYZESAONRJHM-OAQYLSRUSA-N 2 2 343.515 2.436 10 0 EEAELP O[C@]1(C2CC2)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661634065 471835585 /nfs/dbraw/zinc/83/55/85/471835585.db2.gz YXDYZESAONRJHM-OAQYLSRUSA-N 2 2 343.515 2.436 10 0 EEAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cn(C)nc2C)cc1 ZINC000656790559 471840675 /nfs/dbraw/zinc/84/06/75/471840675.db2.gz ZJDKAHOODULMKD-OALUTQOASA-N 2 2 328.460 2.363 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667682009 471864639 /nfs/dbraw/zinc/86/46/39/471864639.db2.gz XMCJKJSLEMEGJN-LJQANCHMSA-N 3 2 343.475 2.200 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667682009 471864644 /nfs/dbraw/zinc/86/46/44/471864644.db2.gz XMCJKJSLEMEGJN-LJQANCHMSA-N 3 2 343.475 2.200 10 0 EEAELP CC1(c2nnc(-c3cccc(F)c3)o2)C[NH+](CCn2cc[nH+]c2)C1 ZINC000664936741 471903139 /nfs/dbraw/zinc/90/31/39/471903139.db2.gz UADCMTYYMBEPCN-UHFFFAOYSA-N 2 2 327.363 2.346 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000662099456 471985301 /nfs/dbraw/zinc/98/53/01/471985301.db2.gz FYEMDAOKURHQFJ-INIZCTEOSA-N 2 2 341.459 2.317 10 0 EEAELP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1[nH+]ccn1C ZINC000662100411 471985590 /nfs/dbraw/zinc/98/55/90/471985590.db2.gz OFDNZEBWCHNVHW-SQWLQELKSA-N 2 2 331.464 2.139 10 0 EEAELP C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1[nH+]ccn1C ZINC000662100411 471985595 /nfs/dbraw/zinc/98/55/95/471985595.db2.gz OFDNZEBWCHNVHW-SQWLQELKSA-N 2 2 331.464 2.139 10 0 EEAELP OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1C[NH2+]CCO1 ZINC000662253825 472045247 /nfs/dbraw/zinc/04/52/47/472045247.db2.gz LUPCLXFZRPBQHK-CYBMUJFWSA-N 2 2 333.259 2.166 10 0 EEAELP OCCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1C[NH2+]CCO1 ZINC000662253825 472045252 /nfs/dbraw/zinc/04/52/52/472045252.db2.gz LUPCLXFZRPBQHK-CYBMUJFWSA-N 2 2 333.259 2.166 10 0 EEAELP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320177 472069270 /nfs/dbraw/zinc/06/92/70/472069270.db2.gz RVWIJYVCNVFMJG-AEFFLSMTSA-N 2 2 333.476 2.081 10 0 EEAELP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320177 472069273 /nfs/dbraw/zinc/06/92/73/472069273.db2.gz RVWIJYVCNVFMJG-AEFFLSMTSA-N 2 2 333.476 2.081 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)OCCCCO4)CC2)C1 ZINC000668738518 472245645 /nfs/dbraw/zinc/24/56/45/472245645.db2.gz FEBFJWCUSIDSNG-GOSISDBHSA-N 2 2 346.471 2.269 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4c(c3)OCCCCO4)CC2)C1 ZINC000668738518 472245649 /nfs/dbraw/zinc/24/56/49/472245649.db2.gz FEBFJWCUSIDSNG-GOSISDBHSA-N 2 2 346.471 2.269 10 0 EEAELP COc1cc(F)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1OC ZINC000668788431 472267679 /nfs/dbraw/zinc/26/76/79/472267679.db2.gz ZQGBCZPMVNHWMW-HNNXBMFYSA-N 2 2 340.439 2.386 10 0 EEAELP COc1cc(F)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1OC ZINC000668788431 472267684 /nfs/dbraw/zinc/26/76/84/472267684.db2.gz ZQGBCZPMVNHWMW-HNNXBMFYSA-N 2 2 340.439 2.386 10 0 EEAELP CC[NH+]1CCC([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679045160 485572661 /nfs/dbraw/zinc/57/26/61/485572661.db2.gz SXIVDGJKWADZBX-FQEVSTJZSA-N 2 2 331.504 2.087 10 0 EEAELP C[N@H+](CCOCC[NH3+])Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000629580019 485737625 /nfs/dbraw/zinc/73/76/25/485737625.db2.gz RWTVZDIVYPTQGS-UHFFFAOYSA-N 2 2 344.337 2.163 10 0 EEAELP C[N@@H+](CCOCC[NH3+])Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000629580019 485737631 /nfs/dbraw/zinc/73/76/31/485737631.db2.gz RWTVZDIVYPTQGS-UHFFFAOYSA-N 2 2 344.337 2.163 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH2+]Cc1cc(F)c(Br)cc1F)C1CC1 ZINC000629597251 485737929 /nfs/dbraw/zinc/73/79/29/485737929.db2.gz HQCFLTVMDXZHDS-NSHDSACASA-N 2 2 349.219 2.272 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH2+]Cc1cc(F)c(Br)cc1F)C1CC1 ZINC000629597251 485737936 /nfs/dbraw/zinc/73/79/36/485737936.db2.gz HQCFLTVMDXZHDS-NSHDSACASA-N 2 2 349.219 2.272 10 0 EEAELP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631167264 485777677 /nfs/dbraw/zinc/77/76/77/485777677.db2.gz IHFUKQHHYJIBAV-UHFFFAOYSA-N 2 2 347.912 2.055 10 0 EEAELP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000631167264 485777682 /nfs/dbraw/zinc/77/76/82/485777682.db2.gz IHFUKQHHYJIBAV-UHFFFAOYSA-N 2 2 347.912 2.055 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000680088185 485885670 /nfs/dbraw/zinc/88/56/70/485885670.db2.gz CMQUAXFHPZCMJV-UXHICEINSA-N 2 2 332.488 2.228 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000680088185 485885676 /nfs/dbraw/zinc/88/56/76/485885676.db2.gz CMQUAXFHPZCMJV-UXHICEINSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2ccc(O)c(F)c2)([NH+]2CCCCC2)CC1 ZINC000681051171 486124377 /nfs/dbraw/zinc/12/43/77/486124377.db2.gz ZPHDUAKGSCVJEH-UHFFFAOYSA-N 2 2 349.450 2.211 10 0 EEAELP Cc1occc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000677329690 486414950 /nfs/dbraw/zinc/41/49/50/486414950.db2.gz RUWJIPCKEUFQLE-JWTNVVGKSA-N 2 2 346.475 2.040 10 0 EEAELP Cc1occc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000677329690 486414953 /nfs/dbraw/zinc/41/49/53/486414953.db2.gz RUWJIPCKEUFQLE-JWTNVVGKSA-N 2 2 346.475 2.040 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000677376666 486424776 /nfs/dbraw/zinc/42/47/76/486424776.db2.gz XHNWSDRLBUKXGY-CYBMUJFWSA-N 2 2 337.387 2.022 10 0 EEAELP CC(C)c1cnc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000733310709 577221631 /nfs/dbraw/zinc/22/16/31/577221631.db2.gz SVBCWBORTJJEMA-UHFFFAOYSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@@H](CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[S@@](C)=O ZINC000773062194 577313491 /nfs/dbraw/zinc/31/34/91/577313491.db2.gz BACXOQLUKXLOHA-NPMXOYFQSA-N 2 2 337.533 2.468 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOCC[C@@H]2C)CC1 ZINC000775568041 577439673 /nfs/dbraw/zinc/43/96/73/577439673.db2.gz PLOIHDGIQANWJX-ZWKOTPCHSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOCC[C@@H]2C)CC1 ZINC000775568041 577439674 /nfs/dbraw/zinc/43/96/74/577439674.db2.gz PLOIHDGIQANWJX-ZWKOTPCHSA-N 2 2 345.487 2.003 10 0 EEAELP Cc1cc(C)c2c(n1)sn(C[N@H+](C)CCCn1cc[nH+]c1)c2=O ZINC000767759034 577544297 /nfs/dbraw/zinc/54/42/97/577544297.db2.gz JSOMYCXYRWDIBE-UHFFFAOYSA-N 2 2 331.445 2.251 10 0 EEAELP Cc1cc(C)c2c(n1)sn(C[N@@H+](C)CCCn1cc[nH+]c1)c2=O ZINC000767759034 577544298 /nfs/dbraw/zinc/54/42/98/577544298.db2.gz JSOMYCXYRWDIBE-UHFFFAOYSA-N 2 2 331.445 2.251 10 0 EEAELP C[NH+]1CCC(CNC(=S)NC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000741873837 578203438 /nfs/dbraw/zinc/20/34/38/578203438.db2.gz FUKXCROXTPUDQT-UHFFFAOYSA-N 2 2 326.554 2.199 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/C=C(Cl)Cl)C2)CC1 ZINC000896326324 684944258 /nfs/dbraw/zinc/94/42/58/684944258.db2.gz YDKHOJKGNMDYAL-FXMSTWTQSA-N 2 2 332.275 2.146 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/C=C(Cl)Cl)C2)CC1 ZINC000896326324 684944261 /nfs/dbraw/zinc/94/42/61/684944261.db2.gz YDKHOJKGNMDYAL-FXMSTWTQSA-N 2 2 332.275 2.146 10 0 EEAELP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000897334282 687135846 /nfs/dbraw/zinc/13/58/46/687135846.db2.gz AMXMIMLTGHYNFA-FHWLQOOXSA-N 2 2 343.471 2.183 10 0 EEAELP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[C@H]1c1cccs1 ZINC000263242343 689556127 /nfs/dbraw/zinc/55/61/27/689556127.db2.gz OTOAMIFBJUCMLI-DYEKYZERSA-N 2 2 343.443 2.244 10 0 EEAELP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[C@H]1c1cccs1 ZINC000263242343 689556129 /nfs/dbraw/zinc/55/61/29/689556129.db2.gz OTOAMIFBJUCMLI-DYEKYZERSA-N 2 2 343.443 2.244 10 0 EEAELP CC1(C)C[NH2+]C[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000905304837 694606353 /nfs/dbraw/zinc/60/63/53/694606353.db2.gz OQBXAUPPVTUZKB-MRXNPFEDSA-N 2 2 342.443 2.282 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CCC3CCOCC3)ccn12 ZINC001266699107 1177221879 /nfs/dbraw/zinc/22/18/79/1177221879.db2.gz BGEZCVUEBQAKOB-UHFFFAOYSA-N 2 2 344.459 2.121 10 0 EEAELP CN(CC[NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266730926 1177315090 /nfs/dbraw/zinc/31/50/90/1177315090.db2.gz KVJYXJRRSGFFIY-IJLUTSLNSA-N 2 2 345.274 2.145 10 0 EEAELP CN(CC[NH2+]CC[C@@H]1CC1(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266730926 1177315099 /nfs/dbraw/zinc/31/50/99/1177315099.db2.gz KVJYXJRRSGFFIY-IJLUTSLNSA-N 2 2 345.274 2.145 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001266752270 1177353253 /nfs/dbraw/zinc/35/32/53/1177353253.db2.gz QEBNRTOHYPDCEM-INIZCTEOSA-N 2 2 331.460 2.427 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001266752270 1177353263 /nfs/dbraw/zinc/35/32/63/1177353263.db2.gz QEBNRTOHYPDCEM-INIZCTEOSA-N 2 2 331.460 2.427 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691050694 1177443402 /nfs/dbraw/zinc/44/34/02/1177443402.db2.gz NPQJRPNJKGPIQE-GOSISDBHSA-N 2 2 342.443 2.055 10 0 EEAELP CCOCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691050694 1177443407 /nfs/dbraw/zinc/44/34/07/1177443407.db2.gz NPQJRPNJKGPIQE-GOSISDBHSA-N 2 2 342.443 2.055 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001267073792 1178193588 /nfs/dbraw/zinc/19/35/88/1178193588.db2.gz ZEYQWFHWKBOAOZ-MRXNPFEDSA-N 2 2 332.473 2.016 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc2cc[nH]c2c1 ZINC001481013546 1179495016 /nfs/dbraw/zinc/49/50/16/1179495016.db2.gz HIJPZDBXUCUPQK-UHFFFAOYSA-N 2 2 339.443 2.380 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc2cc[nH]c2c1 ZINC001481013546 1179495020 /nfs/dbraw/zinc/49/50/20/1179495020.db2.gz HIJPZDBXUCUPQK-UHFFFAOYSA-N 2 2 339.443 2.380 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)CCCC[NH+](C)C)c(C)o1 ZINC001481063716 1179665226 /nfs/dbraw/zinc/66/52/26/1179665226.db2.gz FNHLZEXFFGCIFS-INIZCTEOSA-N 2 2 336.480 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)CCCC[NH+](C)C)c(C)o1 ZINC001481063716 1179665229 /nfs/dbraw/zinc/66/52/29/1179665229.db2.gz FNHLZEXFFGCIFS-INIZCTEOSA-N 2 2 336.480 2.104 10 0 EEAELP CC1(C)CC(C[N@H+](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C2CC2)C1 ZINC001481175261 1179996694 /nfs/dbraw/zinc/99/66/94/1179996694.db2.gz HPEPKXDVSXADGY-INIZCTEOSA-N 2 2 344.503 2.462 10 0 EEAELP CC1(C)CC(C[N@@H+](CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C2CC2)C1 ZINC001481175261 1179996701 /nfs/dbraw/zinc/99/67/01/1179996701.db2.gz HPEPKXDVSXADGY-INIZCTEOSA-N 2 2 344.503 2.462 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267766167 1180449895 /nfs/dbraw/zinc/44/98/95/1180449895.db2.gz DRQWAGMPBCTTAQ-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267766167 1180449900 /nfs/dbraw/zinc/44/99/00/1180449900.db2.gz DRQWAGMPBCTTAQ-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC001267917189 1180761625 /nfs/dbraw/zinc/76/16/25/1180761625.db2.gz XOFLPCQZSYTLSW-UHFFFAOYSA-N 2 2 326.444 2.371 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)oc1C ZINC001481286786 1180859537 /nfs/dbraw/zinc/85/95/37/1180859537.db2.gz BAXIPFSMNVNQEG-HNNXBMFYSA-N 2 2 336.480 2.104 10 0 EEAELP CCOCC[N@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001481515161 1181621396 /nfs/dbraw/zinc/62/13/96/1181621396.db2.gz DGHVRTNHEJRYPR-UHFFFAOYSA-N 2 2 344.459 2.155 10 0 EEAELP CCOCC[N@@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001481515161 1181621398 /nfs/dbraw/zinc/62/13/98/1181621398.db2.gz DGHVRTNHEJRYPR-UHFFFAOYSA-N 2 2 344.459 2.155 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC001268154312 1181849462 /nfs/dbraw/zinc/84/94/62/1181849462.db2.gz LQAUQEKTROLPQE-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC001268154312 1181849467 /nfs/dbraw/zinc/84/94/67/1181849467.db2.gz LQAUQEKTROLPQE-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001268214284 1182023381 /nfs/dbraw/zinc/02/33/81/1182023381.db2.gz WHDLNNFGVVXSOY-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001268214284 1182023387 /nfs/dbraw/zinc/02/33/87/1182023387.db2.gz WHDLNNFGVVXSOY-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001268267160 1182108136 /nfs/dbraw/zinc/10/81/36/1182108136.db2.gz GDWXODBKPCQKMP-SJLPKXTDSA-N 2 2 348.491 2.000 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001268267160 1182108142 /nfs/dbraw/zinc/10/81/42/1182108142.db2.gz GDWXODBKPCQKMP-SJLPKXTDSA-N 2 2 348.491 2.000 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C/Cl)CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001481899646 1182912682 /nfs/dbraw/zinc/91/26/82/1182912682.db2.gz CIXNMIAMUSZAHT-RRFAQUSLSA-N 2 2 336.867 2.217 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCCC(C)(C)C)C2CC2)C1 ZINC001481921254 1182952320 /nfs/dbraw/zinc/95/23/20/1182952320.db2.gz BXRAYOXNGBWKBD-APWZRJJASA-N 2 2 339.524 2.018 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCCC(C)(C)C)C2CC2)C1 ZINC001481921254 1182952323 /nfs/dbraw/zinc/95/23/23/1182952323.db2.gz BXRAYOXNGBWKBD-APWZRJJASA-N 2 2 339.524 2.018 10 0 EEAELP CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)Cc1[nH]cc[nH+]1 ZINC001268486482 1182966121 /nfs/dbraw/zinc/96/61/21/1182966121.db2.gz AVSULFBQOBTBTH-UHFFFAOYSA-N 2 2 326.400 2.337 10 0 EEAELP CO[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481981805 1183077186 /nfs/dbraw/zinc/07/71/86/1183077186.db2.gz YUPMPPQOUSFMPQ-GJZGRUSLSA-N 2 2 344.459 2.430 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001482000350 1183115138 /nfs/dbraw/zinc/11/51/38/1183115138.db2.gz NTKISNXGFSAWFL-GOSISDBHSA-N 2 2 344.503 2.464 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCCC1CC[NH+](CC2CC2)CC1 ZINC001482043943 1183219416 /nfs/dbraw/zinc/21/94/16/1183219416.db2.gz QLNFZUPIGQTZSO-UHFFFAOYSA-N 2 2 344.503 2.390 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC001268577662 1183330104 /nfs/dbraw/zinc/33/01/04/1183330104.db2.gz SXGBPVYDHVBKSO-MPNWYJEXSA-N 2 2 330.407 2.436 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001482103505 1183336909 /nfs/dbraw/zinc/33/69/09/1183336909.db2.gz VKWNHRZYSWAVFM-RHSMWYFYSA-N 2 2 335.496 2.178 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001482103505 1183336914 /nfs/dbraw/zinc/33/69/14/1183336914.db2.gz VKWNHRZYSWAVFM-RHSMWYFYSA-N 2 2 335.496 2.178 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC001269286718 1184139726 /nfs/dbraw/zinc/13/97/26/1184139726.db2.gz AWYNOGRRAJYXMY-INIZCTEOSA-N 2 2 348.491 2.037 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC001269286718 1184139728 /nfs/dbraw/zinc/13/97/28/1184139728.db2.gz AWYNOGRRAJYXMY-INIZCTEOSA-N 2 2 348.491 2.037 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001270599979 1185194839 /nfs/dbraw/zinc/19/48/39/1185194839.db2.gz QZGDVZPGAPUBQD-MDZRGWNJSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001270599979 1185194842 /nfs/dbraw/zinc/19/48/42/1185194842.db2.gz QZGDVZPGAPUBQD-MDZRGWNJSA-N 2 2 348.491 2.157 10 0 EEAELP COCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001271705737 1186385003 /nfs/dbraw/zinc/38/50/03/1186385003.db2.gz QWCVLOIZUPHTMI-PBHICJAKSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)c1 ZINC001482571118 1186909178 /nfs/dbraw/zinc/90/91/78/1186909178.db2.gz IUMNVPHOOVKXOS-SFHVURJKSA-N 2 2 328.460 2.431 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)on1 ZINC001272782373 1193496487 /nfs/dbraw/zinc/49/64/87/1193496487.db2.gz OELCDGPHGIBJEC-LBPRGKRZSA-N 2 2 341.415 2.237 10 0 EEAELP CCN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)CCc1[nH+]ccn1C ZINC001482938807 1187861402 /nfs/dbraw/zinc/86/14/02/1187861402.db2.gz DYVJCPXDDJXKLW-SFHVURJKSA-N 2 2 340.471 2.478 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1F ZINC001691574976 1188274361 /nfs/dbraw/zinc/27/43/61/1188274361.db2.gz YNFZOWDCHLVFBG-UHFFFAOYSA-N 2 2 338.814 2.301 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H](C)C[NH2+]Cc1nccs1)n1cc[nH+]c1 ZINC001483138801 1188690973 /nfs/dbraw/zinc/69/09/73/1188690973.db2.gz USXZHXFJGPVOPX-ZIAGYGMSSA-N 2 2 335.477 2.221 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272866120 1193583204 /nfs/dbraw/zinc/58/32/04/1193583204.db2.gz RGEPPSOCBXIFHK-NSHDSACASA-N 2 2 329.429 2.318 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)cc1Cl)C(=O)Cn1cc[nH+]c1 ZINC001691633685 1189416227 /nfs/dbraw/zinc/41/62/27/1189416227.db2.gz IBWBASBIDULFJI-UHFFFAOYSA-N 2 2 341.242 2.438 10 0 EEAELP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC001409450663 1189696211 /nfs/dbraw/zinc/69/62/11/1189696211.db2.gz GNYIZNCFSJAHTE-CABCVRRESA-N 2 2 344.459 2.044 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409468998 1189754733 /nfs/dbraw/zinc/75/47/33/1189754733.db2.gz MVKMUMZYEXSYKT-LSDHHAIUSA-N 2 2 343.475 2.393 10 0 EEAELP COc1cccc(C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c1C ZINC001483269719 1190292577 /nfs/dbraw/zinc/29/25/77/1190292577.db2.gz VWXBBOWNGQUZNC-LSDHHAIUSA-N 2 2 344.459 2.446 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCc2c1c(F)ccc2F)NC(=O)Cc1c[nH+]cn1C ZINC001483282844 1190306030 /nfs/dbraw/zinc/30/60/30/1190306030.db2.gz CSYFTIMETDNRRK-MEDUHNTESA-N 2 2 348.397 2.023 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC1CCCC1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483569749 1190558963 /nfs/dbraw/zinc/55/89/63/1190558963.db2.gz CCMYFSQPXURHHL-SJORKVTESA-N 2 2 330.476 2.120 10 0 EEAELP O=C(N[C@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001483571874 1190560749 /nfs/dbraw/zinc/56/07/49/1190560749.db2.gz UOWFTEDZMKLNPY-ZWKOTPCHSA-N 2 2 342.487 2.430 10 0 EEAELP CCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001279162169 1190758799 /nfs/dbraw/zinc/75/87/99/1190758799.db2.gz OXYNEJUEGGKYAN-JKSUJKDBSA-N 2 2 328.460 2.279 10 0 EEAELP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC001483892576 1191111878 /nfs/dbraw/zinc/11/18/78/1191111878.db2.gz NBRAHCWCLLLKSG-MOPGFXCFSA-N 2 2 345.487 2.001 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001483957505 1191130767 /nfs/dbraw/zinc/13/07/67/1191130767.db2.gz HSSJDZFCSFQFEM-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001484463478 1191368324 /nfs/dbraw/zinc/36/83/24/1191368324.db2.gz JSSFKHBJJSVEPT-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001484463478 1191368326 /nfs/dbraw/zinc/36/83/26/1191368326.db2.gz JSSFKHBJJSVEPT-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001484467194 1191371254 /nfs/dbraw/zinc/37/12/54/1191371254.db2.gz CVEFKBGCAOYNOX-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001484467194 1191371256 /nfs/dbraw/zinc/37/12/56/1191371256.db2.gz CVEFKBGCAOYNOX-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001484616973 1191443621 /nfs/dbraw/zinc/44/36/21/1191443621.db2.gz VKXYZJOTEBQQQD-VNGFFZMTSA-N 2 2 336.867 2.169 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001484828738 1191537412 /nfs/dbraw/zinc/53/74/12/1191537412.db2.gz CDHNOMGKGKZEOB-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP CCCCOCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001484828738 1191537414 /nfs/dbraw/zinc/53/74/14/1191537414.db2.gz CDHNOMGKGKZEOB-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP CC(C)C[C@H](C(=O)NC1CC(C[NH2+]Cc2ccon2)C1)n1cc[nH+]c1 ZINC001485093344 1191653257 /nfs/dbraw/zinc/65/32/57/1191653257.db2.gz FWACLQDVCHXNNR-BDVYOWHSSA-N 2 2 345.447 2.143 10 0 EEAELP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001485095789 1191654177 /nfs/dbraw/zinc/65/41/77/1191654177.db2.gz DGTCEKUZFRZZFR-QYEFSBCOSA-N 2 2 330.476 2.286 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001485256166 1191713172 /nfs/dbraw/zinc/71/31/72/1191713172.db2.gz YALNGXSLKMQIGC-INIZCTEOSA-N 2 2 332.492 2.320 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1cnc(Cl)s1 ZINC001485306509 1191736288 /nfs/dbraw/zinc/73/62/88/1191736288.db2.gz LLGMVPCFZROLNM-DMDPSCGWSA-N 2 2 344.912 2.073 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1cnc(Cl)s1 ZINC001485306509 1191736289 /nfs/dbraw/zinc/73/62/89/1191736289.db2.gz LLGMVPCFZROLNM-DMDPSCGWSA-N 2 2 344.912 2.073 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1cnc(Cl)s1 ZINC001485306509 1191736290 /nfs/dbraw/zinc/73/62/90/1191736290.db2.gz LLGMVPCFZROLNM-DMDPSCGWSA-N 2 2 344.912 2.073 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001485306509 1191736291 /nfs/dbraw/zinc/73/62/91/1191736291.db2.gz LLGMVPCFZROLNM-DMDPSCGWSA-N 2 2 344.912 2.073 10 0 EEAELP COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001485355570 1191760187 /nfs/dbraw/zinc/76/01/87/1191760187.db2.gz GFEKDFISNCPIBG-JKSUJKDBSA-N 2 2 344.459 2.480 10 0 EEAELP COc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001485355570 1191760188 /nfs/dbraw/zinc/76/01/88/1191760188.db2.gz GFEKDFISNCPIBG-JKSUJKDBSA-N 2 2 344.459 2.480 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1ccns1)C(=O)C[NH+](C)C(C)C ZINC001486380597 1193893677 /nfs/dbraw/zinc/89/36/77/1193893677.db2.gz MKBNTZXRLVPWTM-UHFFFAOYSA-N 2 2 326.510 2.152 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1ccns1)C(=O)C[NH+](C)C(C)C ZINC001486380597 1193893683 /nfs/dbraw/zinc/89/36/83/1193893683.db2.gz MKBNTZXRLVPWTM-UHFFFAOYSA-N 2 2 326.510 2.152 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1ccns1)C(=O)C[N@H+](C)C(C)C ZINC001486380597 1193893689 /nfs/dbraw/zinc/89/36/89/1193893689.db2.gz MKBNTZXRLVPWTM-UHFFFAOYSA-N 2 2 326.510 2.152 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1ccns1)C(=O)C[N@@H+](C)C(C)C ZINC001486380597 1193893694 /nfs/dbraw/zinc/89/36/94/1193893694.db2.gz MKBNTZXRLVPWTM-UHFFFAOYSA-N 2 2 326.510 2.152 10 0 EEAELP COC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001486508544 1194024717 /nfs/dbraw/zinc/02/47/17/1194024717.db2.gz ABDQQWIPYXHBJE-WMZOPIPTSA-N 2 2 348.491 2.254 10 0 EEAELP COC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001486508544 1194024721 /nfs/dbraw/zinc/02/47/21/1194024721.db2.gz ABDQQWIPYXHBJE-WMZOPIPTSA-N 2 2 348.491 2.254 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)on1 ZINC001410387785 1197787650 /nfs/dbraw/zinc/78/76/50/1197787650.db2.gz FXRRJSQNROWKFI-WBVHZDCISA-N 2 2 347.463 2.403 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc2scnc2C)c[nH+]1 ZINC001410399715 1197803339 /nfs/dbraw/zinc/80/33/39/1197803339.db2.gz VFKQWVXFOYYZLT-LBPRGKRZSA-N 2 2 349.504 2.328 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001410482765 1198031473 /nfs/dbraw/zinc/03/14/73/1198031473.db2.gz FFXBUIJFCKTWRJ-ZDUSSCGKSA-N 2 2 329.448 2.027 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@@H](C)O1 ZINC000872278137 1198124965 /nfs/dbraw/zinc/12/49/65/1198124965.db2.gz HNOXMMIEFLZULB-HNGWMZTBSA-N 2 2 343.471 2.362 10 0 EEAELP c1nc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cn1C1CC1 ZINC000865417182 1198206330 /nfs/dbraw/zinc/20/63/30/1198206330.db2.gz BDCNEPGELYAYKF-UHFFFAOYSA-N 2 2 326.444 2.340 10 0 EEAELP CCOCCCCCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870665529 1200800324 /nfs/dbraw/zinc/80/03/24/1200800324.db2.gz XSRHUNVJNYHLSM-UHFFFAOYSA-N 2 2 334.464 2.369 10 0 EEAELP C[C@H](CCc1cccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000866360090 1201499940 /nfs/dbraw/zinc/49/99/40/1201499940.db2.gz XEQZHSZGXSEMAS-BPIHKTFHSA-N 2 2 344.503 2.076 10 0 EEAELP C[C@H](CCc1cccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000866360090 1201499941 /nfs/dbraw/zinc/49/99/41/1201499941.db2.gz XEQZHSZGXSEMAS-BPIHKTFHSA-N 2 2 344.503 2.076 10 0 EEAELP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc1OC ZINC000866411306 1201510899 /nfs/dbraw/zinc/51/08/99/1201510899.db2.gz IWXGREVATUHUKG-ZBFHGGJFSA-N 2 2 336.476 2.070 10 0 EEAELP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1OC ZINC000866411306 1201510902 /nfs/dbraw/zinc/51/09/02/1201510902.db2.gz IWXGREVATUHUKG-ZBFHGGJFSA-N 2 2 336.476 2.070 10 0 EEAELP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866706014 1201585416 /nfs/dbraw/zinc/58/54/16/1201585416.db2.gz DWOKVBRATYVBMW-IBGZPJMESA-N 2 2 347.459 2.109 10 0 EEAELP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866706014 1201585418 /nfs/dbraw/zinc/58/54/18/1201585418.db2.gz DWOKVBRATYVBMW-IBGZPJMESA-N 2 2 347.459 2.109 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2c3ccccc3C[NH+]2C)C[N@@H+]1C1CC1 ZINC000868382872 1201803371 /nfs/dbraw/zinc/80/33/71/1201803371.db2.gz NFTWKUBNCSUCID-SIIHOXLZSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2c3ccccc3C[NH+]2C)C[N@H+]1C1CC1 ZINC000868382872 1201803374 /nfs/dbraw/zinc/80/33/74/1201803374.db2.gz NFTWKUBNCSUCID-SIIHOXLZSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C[NH+]1C1CC1 ZINC000868382872 1201803375 /nfs/dbraw/zinc/80/33/75/1201803375.db2.gz NFTWKUBNCSUCID-SIIHOXLZSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C[NH+]1C1CC1 ZINC000868382872 1201803377 /nfs/dbraw/zinc/80/33/77/1201803377.db2.gz NFTWKUBNCSUCID-SIIHOXLZSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001279184245 1204397696 /nfs/dbraw/zinc/39/76/96/1204397696.db2.gz VEFWUZQWACBVND-HOTGVXAUSA-N 2 2 334.508 2.473 10 0 EEAELP Cc1cnc(F)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000889247985 1204595611 /nfs/dbraw/zinc/59/56/11/1204595611.db2.gz ZOUFDOGBMKBODN-UHFFFAOYSA-N 2 2 348.466 2.209 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCC1 ZINC001274379982 1205015187 /nfs/dbraw/zinc/01/51/87/1205015187.db2.gz YJNSXCALCLJFKV-OSNZYPHYSA-N 2 2 330.476 2.366 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001274510647 1205062770 /nfs/dbraw/zinc/06/27/70/1205062770.db2.gz MJPQQSGATSLSAJ-LLYBFZRZSA-N 2 2 348.491 2.076 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001274510647 1205062772 /nfs/dbraw/zinc/06/27/72/1205062772.db2.gz MJPQQSGATSLSAJ-LLYBFZRZSA-N 2 2 348.491 2.076 10 0 EEAELP CC1CCC(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001274543611 1205075027 /nfs/dbraw/zinc/07/50/27/1205075027.db2.gz GYYYZIQBPWRTDK-ARJAWSKDSA-N 2 2 332.492 2.441 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CCC[C@H]1CCOC1 ZINC001275004253 1205231986 /nfs/dbraw/zinc/23/19/86/1205231986.db2.gz RPEZBPLSBPQKMT-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CCC[C@H]1CCOC1 ZINC001275004253 1205231989 /nfs/dbraw/zinc/23/19/89/1205231989.db2.gz RPEZBPLSBPQKMT-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001275780643 1205524202 /nfs/dbraw/zinc/52/42/02/1205524202.db2.gz KNJOLLHSPCQLAY-KBPBESRZSA-N 2 2 346.397 2.490 10 0 EEAELP COc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1OCCO ZINC000925613128 1206136135 /nfs/dbraw/zinc/13/61/35/1206136135.db2.gz QAIWHCFVCJRDPZ-RDTXWAMCSA-N 2 2 334.460 2.392 10 0 EEAELP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000925643607 1206138917 /nfs/dbraw/zinc/13/89/17/1206138917.db2.gz XHYFDOJBVVIPEY-ZIAGYGMSSA-N 2 2 329.448 2.379 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3c(F)cncc3F)CC2)CC1 ZINC000930752537 1206579954 /nfs/dbraw/zinc/57/99/54/1206579954.db2.gz XLVWPKGAAPREFJ-UHFFFAOYSA-N 2 2 338.446 2.352 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3c(F)cncc3F)CC2)CC1 ZINC000930752537 1206579955 /nfs/dbraw/zinc/57/99/55/1206579955.db2.gz XLVWPKGAAPREFJ-UHFFFAOYSA-N 2 2 338.446 2.352 10 0 EEAELP CN1CC[C@H]([NH+]2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC000931215435 1206616706 /nfs/dbraw/zinc/61/67/06/1206616706.db2.gz XXLPWYKCBMGEOY-IHPCNDPISA-N 2 2 327.472 2.061 10 0 EEAELP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c(C)c1 ZINC000931513011 1207401997 /nfs/dbraw/zinc/40/19/97/1207401997.db2.gz VLYHHDZTYFXKNC-HNNXBMFYSA-N 2 2 327.428 2.079 10 0 EEAELP Cc1ccc(OC[C@@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)c(C)c1 ZINC000931513011 1207401999 /nfs/dbraw/zinc/40/19/99/1207401999.db2.gz VLYHHDZTYFXKNC-HNNXBMFYSA-N 2 2 327.428 2.079 10 0 EEAELP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@@H]3COCCO3)CC2)cc1 ZINC000933549901 1207786042 /nfs/dbraw/zinc/78/60/42/1207786042.db2.gz JKZRMMSXRWLKAR-LJQANCHMSA-N 2 2 330.472 2.489 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310517 1212501969 /nfs/dbraw/zinc/50/19/69/1212501969.db2.gz OJLVQIPSUCZJLN-AZUAARDMSA-N 2 2 327.472 2.205 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310517 1212501979 /nfs/dbraw/zinc/50/19/79/1212501979.db2.gz OJLVQIPSUCZJLN-AZUAARDMSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310517 1212501989 /nfs/dbraw/zinc/50/19/89/1212501989.db2.gz OJLVQIPSUCZJLN-AZUAARDMSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310517 1212501995 /nfs/dbraw/zinc/50/19/95/1212501995.db2.gz OJLVQIPSUCZJLN-AZUAARDMSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000093290712 1214848209 /nfs/dbraw/zinc/84/82/09/1214848209.db2.gz UQOBYMGTFKYGRH-IAGOWNOFSA-N 2 2 345.491 2.354 10 0 EEAELP CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC001413016282 1216566474 /nfs/dbraw/zinc/56/64/74/1216566474.db2.gz KGRBCJQNXZMCEK-OAHLLOKOSA-N 2 2 328.416 2.456 10 0 EEAELP CC[N@H+]1CC[C@@H]1C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC001413016282 1216566477 /nfs/dbraw/zinc/56/64/77/1216566477.db2.gz KGRBCJQNXZMCEK-OAHLLOKOSA-N 2 2 328.416 2.456 10 0 EEAELP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)c2C1 ZINC000901152571 1235288168 /nfs/dbraw/zinc/28/81/68/1235288168.db2.gz PDXJVRZKQPWJBE-DNVCBOLYSA-N 2 2 331.460 2.052 10 0 EEAELP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@@H](O)C[NH+]3C)c2C1 ZINC000901152571 1235288170 /nfs/dbraw/zinc/28/81/70/1235288170.db2.gz PDXJVRZKQPWJBE-DNVCBOLYSA-N 2 2 331.460 2.052 10 0 EEAELP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)c2C1 ZINC000901152571 1235288174 /nfs/dbraw/zinc/28/81/74/1235288174.db2.gz PDXJVRZKQPWJBE-DNVCBOLYSA-N 2 2 331.460 2.052 10 0 EEAELP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)c2C1 ZINC000901152571 1235288176 /nfs/dbraw/zinc/28/81/76/1235288176.db2.gz PDXJVRZKQPWJBE-DNVCBOLYSA-N 2 2 331.460 2.052 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000903442226 1240485286 /nfs/dbraw/zinc/48/52/86/1240485286.db2.gz LEUMJQQUEIABGQ-CABCVRRESA-N 2 2 336.549 2.414 10 0 EEAELP COc1cc2c(c(C[NH2+]C[C@H]3C[NH2+]CCC3(F)F)c1)O[C@@H](C)C2 ZINC000903954818 1242693239 /nfs/dbraw/zinc/69/32/39/1242693239.db2.gz GTWCQZMIUSYKOO-SMDDNHRTSA-N 2 2 326.387 2.353 10 0 EEAELP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001491031392 1258588674 /nfs/dbraw/zinc/58/86/74/1258588674.db2.gz DWPIMIVEYUXHHE-MGJQNXGFSA-N 2 2 330.476 2.429 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001491508774 1259153143 /nfs/dbraw/zinc/15/31/43/1259153143.db2.gz XNNNXCXPNYILKJ-LSDHHAIUSA-N 2 2 344.434 2.188 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC001491530750 1259182007 /nfs/dbraw/zinc/18/20/07/1259182007.db2.gz YKWYDKPRTABIDL-LBPRGKRZSA-N 2 2 349.504 2.240 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)on1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001273771750 1285343249 /nfs/dbraw/zinc/34/32/49/1285343249.db2.gz LFTPNHLMTMPJIY-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277884084 1305015776 /nfs/dbraw/zinc/01/57/76/1305015776.db2.gz WFNCARAPOMODMX-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001488778291 1290188895 /nfs/dbraw/zinc/18/88/95/1290188895.db2.gz ACUPSMUTVYTEBX-NCOADZHNSA-N 2 2 348.491 2.032 10 0 EEAELP CC(C)OC[C@H]([NH3+])c1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000854138997 1292643552 /nfs/dbraw/zinc/64/35/52/1292643552.db2.gz BNBAAIQSRVQLEP-AWEZNQCLSA-N 2 2 334.420 2.102 10 0 EEAELP COc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C1CC1 ZINC000855414999 1293209321 /nfs/dbraw/zinc/20/93/21/1293209321.db2.gz PIIJETCMLNRJJF-UHFFFAOYSA-N 2 2 333.476 2.186 10 0 EEAELP COc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C1CC1 ZINC000855414999 1293209328 /nfs/dbraw/zinc/20/93/28/1293209328.db2.gz PIIJETCMLNRJJF-UHFFFAOYSA-N 2 2 333.476 2.186 10 0 EEAELP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000927105947 1297017608 /nfs/dbraw/zinc/01/76/08/1297017608.db2.gz MPQRWELZMROOJQ-ZBFHGGJFSA-N 2 2 325.456 2.478 10 0 EEAELP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000927105947 1297017623 /nfs/dbraw/zinc/01/76/23/1297017623.db2.gz MPQRWELZMROOJQ-ZBFHGGJFSA-N 2 2 325.456 2.478 10 0 EEAELP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001491556862 1303513574 /nfs/dbraw/zinc/51/35/74/1303513574.db2.gz BZWWSCRCSVPOJX-MAUKXSAKSA-N 2 2 339.524 2.160 10 0 EEAELP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001491556862 1303513576 /nfs/dbraw/zinc/51/35/76/1303513576.db2.gz BZWWSCRCSVPOJX-MAUKXSAKSA-N 2 2 339.524 2.160 10 0 EEAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000843360882 1315900429 /nfs/dbraw/zinc/90/04/29/1315900429.db2.gz LEKBPDFFCVEMHZ-RLAWYHOSSA-N 2 2 333.398 2.132 10 0 EEAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000843360882 1315900432 /nfs/dbraw/zinc/90/04/32/1315900432.db2.gz LEKBPDFFCVEMHZ-RLAWYHOSSA-N 2 2 333.398 2.132 10 0 EEAELP CC[NH2+]CC(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843493961 1315923610 /nfs/dbraw/zinc/92/36/10/1315923610.db2.gz WJYNQSSPQKHVPF-ZBFHGGJFSA-N 2 2 327.831 2.340 10 0 EEAELP CC[NH2+]CC(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843493961 1315923613 /nfs/dbraw/zinc/92/36/13/1315923613.db2.gz WJYNQSSPQKHVPF-ZBFHGGJFSA-N 2 2 327.831 2.340 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001278652078 1317566039 /nfs/dbraw/zinc/56/60/39/1317566039.db2.gz ZNWVIXLDNQQBRG-CVEARBPZSA-N 2 2 330.476 2.238 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001266015449 1323567021 /nfs/dbraw/zinc/56/70/21/1323567021.db2.gz FAHZKSFADPDIAI-ZPPHWLAZSA-N 2 2 330.476 2.318 10 0 EEAELP O=C(NCCC[N@@H+](C/C=C/Cl)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266145372 1323715294 /nfs/dbraw/zinc/71/52/94/1323715294.db2.gz RORAQMRSTVPEEI-BVUGVZOXSA-N 2 2 336.867 2.169 10 0 EEAELP O=C(NCCC[N@H+](C/C=C/Cl)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266145372 1323715301 /nfs/dbraw/zinc/71/53/01/1323715301.db2.gz RORAQMRSTVPEEI-BVUGVZOXSA-N 2 2 336.867 2.169 10 0 EEAELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266178276 1323746196 /nfs/dbraw/zinc/74/61/96/1323746196.db2.gz BPOTVPTUTAUSMP-CHWSQXEVSA-N 2 2 349.866 2.321 10 0 EEAELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266178276 1323746203 /nfs/dbraw/zinc/74/62/03/1323746203.db2.gz BPOTVPTUTAUSMP-CHWSQXEVSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001280744300 1324469186 /nfs/dbraw/zinc/46/91/86/1324469186.db2.gz MLWQXPDDNMZDFS-QGZVFWFLSA-N 2 2 336.480 2.059 10 0 EEAELP CC(C)OCCC[N@H+]1CCC[C@@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001280744300 1324469190 /nfs/dbraw/zinc/46/91/90/1324469190.db2.gz MLWQXPDDNMZDFS-QGZVFWFLSA-N 2 2 336.480 2.059 10 0 EEAELP Cc1cnc(C[NH2+]CCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001283267251 1325980048 /nfs/dbraw/zinc/98/00/48/1325980048.db2.gz AHSYYZREOPWRGW-NSHDSACASA-N 2 2 335.477 2.100 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001491636037 1330192273 /nfs/dbraw/zinc/19/22/73/1330192273.db2.gz 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ZINC001329460682 1334655595 /nfs/dbraw/zinc/65/55/95/1334655595.db2.gz RKRSKBUXJRMKSE-NWDGAFQWSA-N 2 2 347.290 2.363 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001332065121 1335717591 /nfs/dbraw/zinc/71/75/91/1335717591.db2.gz QFRZLQMNPVXPSP-HKUYNNGSSA-N 2 2 340.471 2.403 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CC[C@@H](C)F)CC1 ZINC001479996052 1337659143 /nfs/dbraw/zinc/65/91/43/1337659143.db2.gz ULKUGKOXXSZYNE-OAHLLOKOSA-N 2 2 338.471 2.414 10 0 EEAELP C/C(=C\c1ccncc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847484596 1338097104 /nfs/dbraw/zinc/09/71/04/1338097104.db2.gz CSIRWMAFSKMUJR-IDCODDLRSA-N 2 2 342.487 2.112 10 0 EEAELP C/C(=C\c1ccncc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847484596 1338097107 /nfs/dbraw/zinc/09/71/07/1338097107.db2.gz CSIRWMAFSKMUJR-IDCODDLRSA-N 2 2 342.487 2.112 10 0 EEAELP C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2F)C2CCC2)CC1 ZINC001434461876 1341849223 /nfs/dbraw/zinc/84/92/23/1341849223.db2.gz 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YLWUQCYMHDLGBM-NOKKCYSASA-N 2 2 338.883 2.466 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[C@H]1CCC[N@H+]1C/C=C\Cl ZINC001663120815 1354922277 /nfs/dbraw/zinc/92/22/77/1354922277.db2.gz YLWUQCYMHDLGBM-NOKKCYSASA-N 2 2 338.883 2.466 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001665001298 1355263426 /nfs/dbraw/zinc/26/34/26/1355263426.db2.gz VEJXSHARHMXIDO-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCCCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001665001298 1355263430 /nfs/dbraw/zinc/26/34/30/1355263430.db2.gz VEJXSHARHMXIDO-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001665676475 1355355560 /nfs/dbraw/zinc/35/55/60/1355355560.db2.gz MBPDXRLCHPIPIV-LSDHHAIUSA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001665676475 1355355564 /nfs/dbraw/zinc/35/55/64/1355355564.db2.gz MBPDXRLCHPIPIV-LSDHHAIUSA-N 2 2 338.883 2.108 10 0 EEAELP C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)CCc1[nH+]ccn1C ZINC001668146702 1355884010 /nfs/dbraw/zinc/88/40/10/1355884010.db2.gz FTCWQLZSSVHWCL-NSHDSACASA-N 2 2 333.263 2.156 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C/C[NH2+]Cc2cnccc2C)c[nH+]1 ZINC001668883885 1356035146 /nfs/dbraw/zinc/03/51/46/1356035146.db2.gz VBVHJRUAXQHWIA-AATRIKPKSA-N 2 2 341.459 2.092 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1cccc(F)c1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001668892749 1356037877 /nfs/dbraw/zinc/03/78/77/1356037877.db2.gz IPKPLARJSGFZEU-XGBNDESESA-N 2 2 342.418 2.047 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001671372258 1356332369 /nfs/dbraw/zinc/33/23/69/1356332369.db2.gz AOGROFDVHBGDFE-IBGZPJMESA-N 2 2 340.471 2.176 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001672816657 1356591672 /nfs/dbraw/zinc/59/16/72/1356591672.db2.gz SYPUIWPXCAIOSJ-IRXDYDNUSA-N 2 2 330.476 2.074 10 0 EEAELP CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690772875 1404937675 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1090407847 /nfs/dbraw/zinc/40/78/47/1090407847.db2.gz WBMMOISDNCXXKV-SFHVURJKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncc(C[N@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C2CC2)o1 ZINC001437814659 1090407851 /nfs/dbraw/zinc/40/78/51/1090407851.db2.gz WBMMOISDNCXXKV-SFHVURJKSA-N 2 2 348.491 2.327 10 0 EEAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cnc(C)s1 ZINC001438342485 1090819632 /nfs/dbraw/zinc/81/96/32/1090819632.db2.gz MBLZEOJRERADKC-JSGCOSHPSA-N 2 2 335.477 2.284 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@H]1C[N@H+](CC2CCC2)CCO1)n1cc[nH+]c1 ZINC001438573492 1091061755 /nfs/dbraw/zinc/06/17/55/1091061755.db2.gz UPZVLRRMEHGRTH-ZWKOTPCHSA-N 2 2 348.491 2.087 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@H]1C[N@@H+](CC2CCC2)CCO1)n1cc[nH+]c1 ZINC001438573492 1091061760 /nfs/dbraw/zinc/06/17/60/1091061760.db2.gz UPZVLRRMEHGRTH-ZWKOTPCHSA-N 2 2 348.491 2.087 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001439413270 1092181208 /nfs/dbraw/zinc/18/12/08/1092181208.db2.gz YAHULBDIXXJTDT-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001439413270 1092181210 /nfs/dbraw/zinc/18/12/10/1092181210.db2.gz YAHULBDIXXJTDT-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+]2CCc2ccccc2)c[nH+]1 ZINC001439536699 1092399939 /nfs/dbraw/zinc/39/99/39/1092399939.db2.gz KKLHERXOLZUTKR-SFHVURJKSA-N 2 2 340.471 2.360 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+]2CCc2ccccc2)c[nH+]1 ZINC001439536699 1092399949 /nfs/dbraw/zinc/39/99/49/1092399949.db2.gz KKLHERXOLZUTKR-SFHVURJKSA-N 2 2 340.471 2.360 10 0 EEAELP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001439577240 1092471456 /nfs/dbraw/zinc/47/14/56/1092471456.db2.gz CJAUGAGEFLQYLQ-DLBZAZTESA-N 2 2 326.444 2.452 10 0 EEAELP Cc1ccc(C)c([C@H](C)[N@H+]2CC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001439577240 1092471464 /nfs/dbraw/zinc/47/14/64/1092471464.db2.gz CJAUGAGEFLQYLQ-DLBZAZTESA-N 2 2 326.444 2.452 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ncc(C4CC4)o3)CC2)CC[N@@H+]1C ZINC001439606546 1092513754 /nfs/dbraw/zinc/51/37/54/1092513754.db2.gz GKOIYSLHSUSPLW-LSDHHAIUSA-N 2 2 346.475 2.021 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]Cc3ncc(C4CC4)o3)CC2)CC[N@H+]1C ZINC001439606546 1092513769 /nfs/dbraw/zinc/51/37/69/1092513769.db2.gz GKOIYSLHSUSPLW-LSDHHAIUSA-N 2 2 346.475 2.021 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001439657857 1092590074 /nfs/dbraw/zinc/59/00/74/1092590074.db2.gz OXGWPXYYOLLGFI-CHWSQXEVSA-N 2 2 340.418 2.262 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC001439657857 1092590086 /nfs/dbraw/zinc/59/00/86/1092590086.db2.gz OXGWPXYYOLLGFI-CHWSQXEVSA-N 2 2 340.418 2.262 10 0 EEAELP CC(C)C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCF)C2)C1)n1cc[nH+]c1 ZINC001439714010 1092674426 /nfs/dbraw/zinc/67/44/26/1092674426.db2.gz WUCQSOZNINOZGO-SJLPKXTDSA-N 2 2 336.455 2.364 10 0 EEAELP CC(C)C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCF)C2)C1)n1cc[nH+]c1 ZINC001439714010 1092674430 /nfs/dbraw/zinc/67/44/30/1092674430.db2.gz WUCQSOZNINOZGO-SJLPKXTDSA-N 2 2 336.455 2.364 10 0 EEAELP CC1(CNC(=O)Cc2[nH]cc[nH+]2)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001439923908 1093003424 /nfs/dbraw/zinc/00/34/24/1093003424.db2.gz SQIJDFWINJJMQT-MRXNPFEDSA-N 2 2 348.491 2.130 10 0 EEAELP COc1cc(C[NH2+]C2CC[NH+](CCNC(C)=O)CC2)ccc1Cl ZINC001440151880 1093211263 /nfs/dbraw/zinc/21/12/63/1093211263.db2.gz NOKLNSZSJDWDAS-UHFFFAOYSA-N 2 2 339.867 2.039 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)co1 ZINC001448390668 1093385154 /nfs/dbraw/zinc/38/51/54/1093385154.db2.gz DMGVFGMFWCXIHW-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1nc(C[N@H+]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)co1 ZINC001448390668 1093385161 /nfs/dbraw/zinc/38/51/61/1093385161.db2.gz DMGVFGMFWCXIHW-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001448677382 1093743590 /nfs/dbraw/zinc/74/35/90/1093743590.db2.gz BKAZOIMTNSDJOI-LSDHHAIUSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC001448677382 1093743592 /nfs/dbraw/zinc/74/35/92/1093743592.db2.gz BKAZOIMTNSDJOI-LSDHHAIUSA-N 2 2 336.480 2.219 10 0 EEAELP Cc1ncsc1C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001440981157 1094243917 /nfs/dbraw/zinc/24/39/17/1094243917.db2.gz SLEAKPBYMQTFCK-OLZOCXBDSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncsc1C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001440981157 1094243921 /nfs/dbraw/zinc/24/39/21/1094243921.db2.gz SLEAKPBYMQTFCK-OLZOCXBDSA-N 2 2 335.477 2.236 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C2CC2)n1 ZINC001441242109 1094628151 /nfs/dbraw/zinc/62/81/51/1094628151.db2.gz WEJHYWPEIXAGDF-SFHVURJKSA-N 2 2 341.459 2.155 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001441525821 1095229980 /nfs/dbraw/zinc/22/99/80/1095229980.db2.gz 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ZINC001497417060 1102457212 /nfs/dbraw/zinc/45/72/12/1102457212.db2.gz UQWXYNHLYZSCGV-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1ccc(C)c(C[N@@H+](C)CCCN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001447376529 1102558413 /nfs/dbraw/zinc/55/84/13/1102558413.db2.gz UTACJLFSXWFRPL-UHFFFAOYSA-N 2 2 328.460 2.480 10 0 EEAELP Cc1ccc(C)c(C[N@H+](C)CCCN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001447376529 1102558418 /nfs/dbraw/zinc/55/84/18/1102558418.db2.gz UTACJLFSXWFRPL-UHFFFAOYSA-N 2 2 328.460 2.480 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[NH2+]Cc1nccs1 ZINC001497817597 1103147422 /nfs/dbraw/zinc/14/74/22/1103147422.db2.gz IDCZKPZVHOZLTC-OLZOCXBDSA-N 2 2 335.477 2.148 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001447912480 1103580928 /nfs/dbraw/zinc/58/09/28/1103580928.db2.gz FKSIKNVEYJVSJT-QWHCGFSZSA-N 2 2 332.423 2.391 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001448039992 1103871434 /nfs/dbraw/zinc/87/14/34/1103871434.db2.gz CNQSULUDSWHYFO-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001448039992 1103871450 /nfs/dbraw/zinc/87/14/50/1103871450.db2.gz CNQSULUDSWHYFO-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001448137679 1104085987 /nfs/dbraw/zinc/08/59/87/1104085987.db2.gz DIUVUONSUKJBRM-LSDHHAIUSA-N 2 2 330.432 2.089 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001448137679 1104085999 /nfs/dbraw/zinc/08/59/99/1104085999.db2.gz DIUVUONSUKJBRM-LSDHHAIUSA-N 2 2 330.432 2.089 10 0 EEAELP Cc1oncc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001448142517 1104093284 /nfs/dbraw/zinc/09/32/84/1104093284.db2.gz ILNYHJNEFVNBNW-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1oncc1C[N@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001448142517 1104093297 /nfs/dbraw/zinc/09/32/97/1104093297.db2.gz ILNYHJNEFVNBNW-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC(NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001494507895 1104097541 /nfs/dbraw/zinc/09/75/41/1104097541.db2.gz SOLKZASUGKPCBX-INIZCTEOSA-N 2 2 345.487 2.433 10 0 EEAELP CC1(C)CC(C[NH+]2CC(CNC(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001494555619 1104145859 /nfs/dbraw/zinc/14/58/59/1104145859.db2.gz FLOKHEHPMROXTJ-UHFFFAOYSA-N 2 2 344.503 2.246 10 0 EEAELP Cc1cnc(C[NH2+]CC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCCCC2)o1 ZINC001448225139 1104211958 /nfs/dbraw/zinc/21/19/58/1104211958.db2.gz JGOGMKSCHRWSTQ-INIZCTEOSA-N 2 2 348.491 2.376 10 0 EEAELP Cc1cnc(C[NH2+]CC2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCCCC2)o1 ZINC001448225139 1104211970 /nfs/dbraw/zinc/21/19/70/1104211970.db2.gz JGOGMKSCHRWSTQ-INIZCTEOSA-N 2 2 348.491 2.376 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCc1cccs1 ZINC001495011286 1104653624 /nfs/dbraw/zinc/65/36/24/1104653624.db2.gz ICCFWYCSSFVLRZ-LSDHHAIUSA-N 2 2 346.500 2.234 10 0 EEAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cccnc1C ZINC001495067367 1104706437 /nfs/dbraw/zinc/70/64/37/1104706437.db2.gz SBHFNWURRHJAJQ-YOEHRIQHSA-N 2 2 329.448 2.222 10 0 EEAELP Cc1ccncc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001480830269 1107216837 /nfs/dbraw/zinc/21/68/37/1107216837.db2.gz UJSVDFSIVGDYAT-SFHVURJKSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1ccncc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001480830269 1107216845 /nfs/dbraw/zinc/21/68/45/1107216845.db2.gz UJSVDFSIVGDYAT-SFHVURJKSA-N 2 2 341.459 2.217 10 0 EEAELP C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323651 1107292641 /nfs/dbraw/zinc/29/26/41/1107292641.db2.gz PHTVFDAFYCXKME-CABCVRRESA-N 2 2 346.500 2.186 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323651 1107292649 /nfs/dbraw/zinc/29/26/49/1107292649.db2.gz PHTVFDAFYCXKME-CABCVRRESA-N 2 2 346.500 2.186 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001498399313 1107454823 /nfs/dbraw/zinc/45/48/23/1107454823.db2.gz KNTVXMGCWLJKHW-CABCVRRESA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001498399313 1107454830 /nfs/dbraw/zinc/45/48/30/1107454830.db2.gz KNTVXMGCWLJKHW-CABCVRRESA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001498399313 1107454833 /nfs/dbraw/zinc/45/48/33/1107454833.db2.gz KNTVXMGCWLJKHW-CABCVRRESA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001498399313 1107454846 /nfs/dbraw/zinc/45/48/46/1107454846.db2.gz KNTVXMGCWLJKHW-CABCVRRESA-N 2 2 344.459 2.234 10 0 EEAELP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001498569579 1107739097 /nfs/dbraw/zinc/73/90/97/1107739097.db2.gz AMYMJAVHQBMBCR-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C2CCC2)cc1)C(=O)Cc1c[nH+]cn1C ZINC001493763277 1108639043 /nfs/dbraw/zinc/63/90/43/1108639043.db2.gz JQVCBNVJLDVPQF-UHFFFAOYSA-N 2 2 340.471 2.478 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H]1CCCCO1 ZINC001493861020 1108752693 /nfs/dbraw/zinc/75/26/93/1108752693.db2.gz YGLXJZGGJPYKHZ-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H]1CCCCO1 ZINC001493861020 1108752701 /nfs/dbraw/zinc/75/27/01/1108752701.db2.gz YGLXJZGGJPYKHZ-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H]1CCCCO1 ZINC001493861020 1108752714 /nfs/dbraw/zinc/75/27/14/1108752714.db2.gz YGLXJZGGJPYKHZ-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H]1CCCCO1 ZINC001493861020 1108752724 /nfs/dbraw/zinc/75/27/24/1108752724.db2.gz YGLXJZGGJPYKHZ-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCN1c1cc[nH+]cc1 ZINC001460701880 1110321444 /nfs/dbraw/zinc/32/14/44/1110321444.db2.gz BQJZODUONANWSQ-VQIMIIECSA-N 2 2 336.439 2.398 10 0 EEAELP C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCN1c1cc[nH+]cc1 ZINC001460701880 1110321446 /nfs/dbraw/zinc/32/14/46/1110321446.db2.gz BQJZODUONANWSQ-VQIMIIECSA-N 2 2 336.439 2.398 10 0 EEAELP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccccc1F ZINC001472115761 1110544103 /nfs/dbraw/zinc/54/41/03/1110544103.db2.gz NHJRTAVVPQKURE-DOTOQJQBSA-N 2 2 344.434 2.297 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001499774962 1112481949 /nfs/dbraw/zinc/48/19/49/1112481949.db2.gz RBQAIORJKYZOEE-SFHVURJKSA-N 2 2 333.451 2.297 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001499774962 1112481952 /nfs/dbraw/zinc/48/19/52/1112481952.db2.gz RBQAIORJKYZOEE-SFHVURJKSA-N 2 2 333.451 2.297 10 0 EEAELP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001500096672 1112615119 /nfs/dbraw/zinc/61/51/19/1112615119.db2.gz IPTJKIQBJRMAHR-IRXDYDNUSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001500529752 1112921400 /nfs/dbraw/zinc/92/14/00/1112921400.db2.gz MEQUTYIBRFACOA-PKOBYXMFSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001500529752 1112921402 /nfs/dbraw/zinc/92/14/02/1112921402.db2.gz MEQUTYIBRFACOA-PKOBYXMFSA-N 2 2 348.491 2.130 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001500552755 1112943016 /nfs/dbraw/zinc/94/30/16/1112943016.db2.gz KYESIDFUHJTABD-HKUYNNGSSA-N 2 2 348.491 2.267 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001500552755 1112943018 /nfs/dbraw/zinc/94/30/18/1112943018.db2.gz KYESIDFUHJTABD-HKUYNNGSSA-N 2 2 348.491 2.267 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccon2)C1 ZINC001500552755 1112943020 /nfs/dbraw/zinc/94/30/20/1112943020.db2.gz KYESIDFUHJTABD-HKUYNNGSSA-N 2 2 348.491 2.267 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccon2)C1 ZINC001500552755 1112943023 /nfs/dbraw/zinc/94/30/23/1112943023.db2.gz KYESIDFUHJTABD-HKUYNNGSSA-N 2 2 348.491 2.267 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CC(C[NH2+][C@@H]2CCc3ccccc32)C1 ZINC001505510937 1114029791 /nfs/dbraw/zinc/02/97/91/1114029791.db2.gz WGCTVBYJSFLGSQ-GXOAENINSA-N 2 2 338.455 2.445 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001505621093 1114089687 /nfs/dbraw/zinc/08/96/87/1114089687.db2.gz CLUGSIPUSKGGRB-KGLIPLIRSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001505621093 1114089692 /nfs/dbraw/zinc/08/96/92/1114089692.db2.gz CLUGSIPUSKGGRB-KGLIPLIRSA-N 2 2 332.423 2.473 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)Cc1ccc(F)cc1 ZINC001505948925 1114295752 /nfs/dbraw/zinc/29/57/52/1114295752.db2.gz XRRVKOSAVWDIAI-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001505948925 1114295753 /nfs/dbraw/zinc/29/57/53/1114295753.db2.gz XRRVKOSAVWDIAI-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)Cc1ccc(F)cc1 ZINC001505948923 1114295968 /nfs/dbraw/zinc/29/59/68/1114295968.db2.gz XRRVKOSAVWDIAI-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001505948923 1114295970 /nfs/dbraw/zinc/29/59/70/1114295970.db2.gz XRRVKOSAVWDIAI-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001507130131 1115124140 /nfs/dbraw/zinc/12/41/40/1115124140.db2.gz RTVSKUCLPRTNKU-INIZCTEOSA-N 2 2 328.460 2.330 10 0 EEAELP CO[C@H](C[NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001508113574 1115422173 /nfs/dbraw/zinc/42/21/73/1115422173.db2.gz QDBYGDBMAUKJQX-DAWZGUTISA-N 2 2 348.491 2.127 10 0 EEAELP CO[C@H](C[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001508113574 1115422174 /nfs/dbraw/zinc/42/21/74/1115422174.db2.gz QDBYGDBMAUKJQX-DAWZGUTISA-N 2 2 348.491 2.127 10 0 EEAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cnc(C)s1 ZINC001567969225 1124210959 /nfs/dbraw/zinc/21/09/59/1124210959.db2.gz SQCWASWDXHBZCT-CYBMUJFWSA-N 2 2 343.456 2.397 10 0 EEAELP O=C(NC1(C[NH2+]CCC2CC2)CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001568002890 1124225199 /nfs/dbraw/zinc/22/51/99/1124225199.db2.gz VZKWBFDNTINCFN-MRXNPFEDSA-N 2 2 330.476 2.264 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001568322376 1124420054 /nfs/dbraw/zinc/42/00/54/1124420054.db2.gz MSPJIHKNPAOPOT-MRXNPFEDSA-N 2 2 328.460 2.125 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)CC[NH2+]CC=C(Cl)Cl ZINC001568647090 1124659474 /nfs/dbraw/zinc/65/94/74/1124659474.db2.gz VUDYBTDEVQWAGA-LLVKDONJSA-N 2 2 346.258 2.436 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001569240550 1125187791 /nfs/dbraw/zinc/18/77/91/1125187791.db2.gz BVIROZFHBKLHKM-IAGOWNOFSA-N 2 2 344.434 2.301 10 0 EEAELP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031062 202090307 /nfs/dbraw/zinc/09/03/07/202090307.db2.gz GEUCPJKYZFKYJT-NSHDSACASA-N 2 2 330.259 2.418 10 0 EEAELP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031062 202090311 /nfs/dbraw/zinc/09/03/11/202090311.db2.gz GEUCPJKYZFKYJT-NSHDSACASA-N 2 2 330.259 2.418 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074651 240354331 /nfs/dbraw/zinc/35/43/31/240354331.db2.gz MLWLYZUXKZBVQK-FUHWJXTLSA-N 3 2 340.471 2.436 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074651 240354336 /nfs/dbraw/zinc/35/43/36/240354336.db2.gz MLWLYZUXKZBVQK-FUHWJXTLSA-N 3 2 340.471 2.436 10 0 EEAELP C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H](C)[N@H+]1CCC[NH+](C)C ZINC000036125066 202316380 /nfs/dbraw/zinc/31/63/80/202316380.db2.gz JQGWQRBNLLILFT-HDICACEKSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@H](C)[N@@H+]1CCC[NH+](C)C ZINC000036125066 202316383 /nfs/dbraw/zinc/31/63/83/202316383.db2.gz JQGWQRBNLLILFT-HDICACEKSA-N 2 2 347.503 2.328 10 0 EEAELP COc1ccc(OC(F)F)c(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422875576 240271962 /nfs/dbraw/zinc/27/19/62/240271962.db2.gz PGPYXTAITOJVKA-CVEARBPZSA-N 2 2 342.386 2.153 10 0 EEAELP c1cc(N2CCCCCC2)ncc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422893467 240280374 /nfs/dbraw/zinc/28/03/74/240280374.db2.gz QRIFHTIMAHRKFU-UYAOXDASSA-N 2 2 344.503 2.319 10 0 EEAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422895115 240281288 /nfs/dbraw/zinc/28/12/88/240281288.db2.gz DYWCOAIUJHJCHJ-SFTDATJTSA-N 3 2 343.515 2.316 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@@H]2CCOC[C@@H]2OC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423162605 240388211 /nfs/dbraw/zinc/38/82/11/240388211.db2.gz UFHKTWLXFSULCD-WNHJNPCNSA-N 2 2 334.460 2.129 10 0 EEAELP C[C@@H]1CN(Cc2cc(-n3cc[nH+]c3)cs2)CC[N@@H+]1CC(C)(C)O ZINC000438342320 242009227 /nfs/dbraw/zinc/00/92/27/242009227.db2.gz NOAMJHNQYROONO-CQSZACIVSA-N 2 2 334.489 2.211 10 0 EEAELP C[C@@H]1CN(Cc2cc(-n3cc[nH+]c3)cs2)CC[N@H+]1CC(C)(C)O ZINC000438342320 242009232 /nfs/dbraw/zinc/00/92/32/242009232.db2.gz 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C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000125861954 205029735 /nfs/dbraw/zinc/02/97/35/205029735.db2.gz LBTOWZIZKGSBII-ZBFHGGJFSA-N 2 2 336.505 2.231 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000125861954 205029740 /nfs/dbraw/zinc/02/97/40/205029740.db2.gz LBTOWZIZKGSBII-ZBFHGGJFSA-N 2 2 336.505 2.231 10 0 EEAELP c1ccc(-c2cc(NCC[NH+]3CCOCC3)nc(NC3CC3)[nH+]2)cc1 ZINC000243053674 205092259 /nfs/dbraw/zinc/09/22/59/205092259.db2.gz IGKDFPZJRSZQGK-UHFFFAOYSA-N 2 2 339.443 2.462 10 0 EEAELP Cc1cc(N2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)nc(C)[nH+]1 ZINC000266466580 248314491 /nfs/dbraw/zinc/31/44/91/248314491.db2.gz ZOHMULVGQIKPOZ-UHFFFAOYSA-N 2 2 328.464 2.367 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000175033486 207086996 /nfs/dbraw/zinc/08/69/96/207086996.db2.gz SMFHCKRCWXYWJU-HZPDHXFCSA-N 2 2 326.444 2.430 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000175033486 207087000 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347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000247273480 160317891 /nfs/dbraw/zinc/31/78/91/160317891.db2.gz SJWYKJPAYCBFRE-GDBMZVCRSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000247273480 160317893 /nfs/dbraw/zinc/31/78/93/160317893.db2.gz SJWYKJPAYCBFRE-GDBMZVCRSA-N 2 2 347.459 2.058 10 0 EEAELP CC[NH+]1CCC(CC[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CC1 ZINC000342790124 161090987 /nfs/dbraw/zinc/09/09/87/161090987.db2.gz YTJGTPJNKUHXCG-UHFFFAOYSA-N 3 2 339.524 2.116 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC(F)F)CC2)[C@H](C)C1 ZINC000343498417 161141649 /nfs/dbraw/zinc/14/16/49/161141649.db2.gz AHCTVELUMUATED-UKRRQHHQSA-N 2 2 331.451 2.152 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC(F)F)CC2)[C@H](C)C1 ZINC000343498417 161141650 /nfs/dbraw/zinc/14/16/50/161141650.db2.gz AHCTVELUMUATED-UKRRQHHQSA-N 2 2 331.451 2.152 10 0 EEAELP COC(=O)[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344687182 161235980 /nfs/dbraw/zinc/23/59/80/161235980.db2.gz JJYJGQASVVTXFX-QWHCGFSZSA-N 2 2 344.415 2.145 10 0 EEAELP COC(=O)[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344687182 161235981 /nfs/dbraw/zinc/23/59/81/161235981.db2.gz JJYJGQASVVTXFX-QWHCGFSZSA-N 2 2 344.415 2.145 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000345099881 161271824 /nfs/dbraw/zinc/27/18/24/161271824.db2.gz SYNAWDIHEPCYEI-RDJZCZTQSA-N 2 2 325.403 2.168 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000345099881 161271825 /nfs/dbraw/zinc/27/18/25/161271825.db2.gz SYNAWDIHEPCYEI-RDJZCZTQSA-N 2 2 325.403 2.168 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000345099881 161271826 /nfs/dbraw/zinc/27/18/26/161271826.db2.gz SYNAWDIHEPCYEI-RDJZCZTQSA-N 2 2 325.403 2.168 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000345099881 161271827 /nfs/dbraw/zinc/27/18/27/161271827.db2.gz SYNAWDIHEPCYEI-RDJZCZTQSA-N 2 2 325.403 2.168 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000353596660 162622404 /nfs/dbraw/zinc/62/24/04/162622404.db2.gz OGXZLPHBZPWZCH-NFOMZHRRSA-N 2 2 345.413 2.452 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)C2 ZINC000364550082 165183221 /nfs/dbraw/zinc/18/32/21/165183221.db2.gz CRDNFERGGLWIQU-CQSZACIVSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)CC2 ZINC000364550082 165183223 /nfs/dbraw/zinc/18/32/23/165183223.db2.gz CRDNFERGGLWIQU-CQSZACIVSA-N 2 2 332.492 2.486 10 0 EEAELP Cc1cc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n(C(C)(C)C)n1 ZINC000123242950 222241594 /nfs/dbraw/zinc/24/15/94/222241594.db2.gz ODUCWSZRVYGLIV-HUUCEWRRSA-N 2 2 335.496 2.300 10 0 EEAELP Cc1cc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n(C(C)(C)C)n1 ZINC000123242950 222241596 /nfs/dbraw/zinc/24/15/96/222241596.db2.gz ODUCWSZRVYGLIV-HUUCEWRRSA-N 2 2 335.496 2.300 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n(C(C)(C)C)n1 ZINC000123242950 222241598 /nfs/dbraw/zinc/24/15/98/222241598.db2.gz ODUCWSZRVYGLIV-HUUCEWRRSA-N 2 2 335.496 2.300 10 0 EEAELP Cc1cc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n(C(C)(C)C)n1 ZINC000123242950 222241601 /nfs/dbraw/zinc/24/16/01/222241601.db2.gz ODUCWSZRVYGLIV-HUUCEWRRSA-N 2 2 335.496 2.300 10 0 EEAELP O[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000280309150 269349568 /nfs/dbraw/zinc/34/95/68/269349568.db2.gz FZQWGWWQYJBWIV-OWCLPIDISA-N 2 2 328.378 2.364 10 0 EEAELP O[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000280309150 269349569 /nfs/dbraw/zinc/34/95/69/269349569.db2.gz FZQWGWWQYJBWIV-OWCLPIDISA-N 2 2 328.378 2.364 10 0 EEAELP O[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000280309150 269349571 /nfs/dbraw/zinc/34/95/71/269349571.db2.gz FZQWGWWQYJBWIV-OWCLPIDISA-N 2 2 328.378 2.364 10 0 EEAELP O[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000280309150 269349573 /nfs/dbraw/zinc/34/95/73/269349573.db2.gz FZQWGWWQYJBWIV-OWCLPIDISA-N 2 2 328.378 2.364 10 0 EEAELP C[C@H]1C[NH+]=C(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)S1 ZINC000271469642 274133894 /nfs/dbraw/zinc/13/38/94/274133894.db2.gz YUSKYTRPZQJECQ-WMZOPIPTSA-N 2 2 344.528 2.370 10 0 EEAELP C[C@H]1C[NH+]=C(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)S1 ZINC000271469642 274133895 /nfs/dbraw/zinc/13/38/95/274133895.db2.gz YUSKYTRPZQJECQ-WMZOPIPTSA-N 2 2 344.528 2.370 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278144081 274337052 /nfs/dbraw/zinc/33/70/52/274337052.db2.gz AVDWEDZRIUYTPR-KGLIPLIRSA-N 2 2 343.479 2.036 10 0 EEAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278144081 274337054 /nfs/dbraw/zinc/33/70/54/274337054.db2.gz AVDWEDZRIUYTPR-KGLIPLIRSA-N 2 2 343.479 2.036 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)C1 ZINC000293054805 293112727 /nfs/dbraw/zinc/11/27/27/293112727.db2.gz UGZOFETUYCGNII-AWEZNQCLSA-N 2 2 342.867 2.210 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)C1 ZINC000293054805 293112732 /nfs/dbraw/zinc/11/27/32/293112732.db2.gz UGZOFETUYCGNII-AWEZNQCLSA-N 2 2 342.867 2.210 10 0 EEAELP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cnnn3Cc3ccccc3)C2)C1 ZINC000293740760 293283882 /nfs/dbraw/zinc/28/38/82/293283882.db2.gz VUCYCEVOJVVQJQ-IBGZPJMESA-N 2 2 325.460 2.244 10 0 EEAELP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cnnn3Cc3ccccc3)C2)C1 ZINC000293740760 293283883 /nfs/dbraw/zinc/28/38/83/293283883.db2.gz VUCYCEVOJVVQJQ-IBGZPJMESA-N 2 2 325.460 2.244 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cnnn3Cc3ccccc3)C2)C1 ZINC000293740760 293283884 /nfs/dbraw/zinc/28/38/84/293283884.db2.gz VUCYCEVOJVVQJQ-IBGZPJMESA-N 2 2 325.460 2.244 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)C1 ZINC000293740760 293283885 /nfs/dbraw/zinc/28/38/85/293283885.db2.gz VUCYCEVOJVVQJQ-IBGZPJMESA-N 2 2 325.460 2.244 10 0 EEAELP COc1ccc(F)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000294230390 293401521 /nfs/dbraw/zinc/40/15/21/293401521.db2.gz SURRFWKPWRYGKU-UHFFFAOYSA-N 2 2 344.434 2.271 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000296580231 294012784 /nfs/dbraw/zinc/01/27/84/294012784.db2.gz MNHXWCADVDFVKQ-ZDUSSCGKSA-N 2 2 347.488 2.211 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000296580231 294012786 /nfs/dbraw/zinc/01/27/86/294012786.db2.gz MNHXWCADVDFVKQ-ZDUSSCGKSA-N 2 2 347.488 2.211 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000414766745 313081526 /nfs/dbraw/zinc/08/15/26/313081526.db2.gz HWEPAHGDCITMOI-BBRMVZONSA-N 2 2 342.443 2.170 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000414766745 313081529 /nfs/dbraw/zinc/08/15/29/313081529.db2.gz HWEPAHGDCITMOI-BBRMVZONSA-N 2 2 342.443 2.170 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000416896271 313352673 /nfs/dbraw/zinc/35/26/73/313352673.db2.gz VHXGYVSNZPZKOS-COPLHBTASA-N 2 2 335.839 2.198 10 0 EEAELP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000416955229 313371084 /nfs/dbraw/zinc/37/10/84/313371084.db2.gz WXKDVXOZKVQJFH-CQSZACIVSA-N 2 2 337.427 2.396 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000417908029 313645224 /nfs/dbraw/zinc/64/52/24/313645224.db2.gz ATRSGOZOLOGCHE-RDJZCZTQSA-N 2 2 329.448 2.278 10 0 EEAELP O=C(C[N@@H+]1CCCC12CCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000444778205 315324207 /nfs/dbraw/zinc/32/42/07/315324207.db2.gz IGMKJLOLWVWOCE-UHFFFAOYSA-N 2 2 333.501 2.411 10 0 EEAELP O=C(C[N@H+]1CCCC12CCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000444778205 315324208 /nfs/dbraw/zinc/32/42/08/315324208.db2.gz IGMKJLOLWVWOCE-UHFFFAOYSA-N 2 2 333.501 2.411 10 0 EEAELP O=C(NCc1cn2ccccc2[nH+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000525973641 317099514 /nfs/dbraw/zinc/09/95/14/317099514.db2.gz YSWIVEBSDSNAGZ-UHFFFAOYSA-N 2 2 327.432 2.150 10 0 EEAELP COC(=O)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000541536761 318102203 /nfs/dbraw/zinc/10/22/03/318102203.db2.gz MJDDBLANGJACFS-UHFFFAOYSA-N 2 2 335.429 2.088 10 0 EEAELP COC(=O)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000541536761 318102204 /nfs/dbraw/zinc/10/22/04/318102204.db2.gz MJDDBLANGJACFS-UHFFFAOYSA-N 2 2 335.429 2.088 10 0 EEAELP c1cc(N[C@@H]2CCCOC2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000541852930 318111763 /nfs/dbraw/zinc/11/17/63/318111763.db2.gz ZUZDGEYRGNPSPW-OAHLLOKOSA-N 2 2 330.432 2.029 10 0 EEAELP Cc1cc(NS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)c(C)c[nH+]1 ZINC000544742762 318196011 /nfs/dbraw/zinc/19/60/11/318196011.db2.gz OGJSISJZSJCIEV-UHFFFAOYSA-N 2 2 342.424 2.166 10 0 EEAELP O=C(c1ccsc1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000574284263 320012609 /nfs/dbraw/zinc/01/26/09/320012609.db2.gz RBUWZMCFJSSBPW-UHFFFAOYSA-N 2 2 341.480 2.352 10 0 EEAELP COc1ccc(-c2nc(CN3CC[NH+](CCC[NH3+])CC3)cs2)cc1 ZINC000577518698 320260712 /nfs/dbraw/zinc/26/07/12/320260712.db2.gz INDOLTQSUIHKQN-UHFFFAOYSA-N 2 2 346.500 2.285 10 0 EEAELP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000580891573 324148120 /nfs/dbraw/zinc/14/81/20/324148120.db2.gz RCGZSWFKWOGZAX-OLZOCXBDSA-N 2 2 338.883 2.123 10 0 EEAELP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000580891573 324148124 /nfs/dbraw/zinc/14/81/24/324148124.db2.gz RCGZSWFKWOGZAX-OLZOCXBDSA-N 2 2 338.883 2.123 10 0 EEAELP CN(CC[C@H]1CCCC[N@@H+]1C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000525705569 448015317 /nfs/dbraw/zinc/01/53/17/448015317.db2.gz VYLKNPHAOPOLBT-OAHLLOKOSA-N 2 2 343.475 2.345 10 0 EEAELP CN(CC[C@H]1CCCC[N@H+]1C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000525705569 448015322 /nfs/dbraw/zinc/01/53/22/448015322.db2.gz VYLKNPHAOPOLBT-OAHLLOKOSA-N 2 2 343.475 2.345 10 0 EEAELP OCCNc1nc(N2CCC(c3[nH]cc[nH+]3)CC2)[nH+]c2ccccc21 ZINC000601513469 450035024 /nfs/dbraw/zinc/03/50/24/450035024.db2.gz YNRBBHGNCIDPBD-UHFFFAOYSA-N 2 2 338.415 2.141 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726943 450574365 /nfs/dbraw/zinc/57/43/65/450574365.db2.gz HOZGDGUTCOOEPP-CABCVRRESA-N 2 2 348.495 2.102 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726943 450574367 /nfs/dbraw/zinc/57/43/67/450574367.db2.gz HOZGDGUTCOOEPP-CABCVRRESA-N 2 2 348.495 2.102 10 0 EEAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058343933 463584035 /nfs/dbraw/zinc/58/40/35/463584035.db2.gz SQKIYKPVMJPVBX-SFHVURJKSA-N 2 2 349.438 2.170 10 0 EEAELP CCC(CC)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCC1 ZINC000358455343 465133426 /nfs/dbraw/zinc/13/34/26/465133426.db2.gz KEQAKCGJTAUBMS-QAPCUYQASA-N 2 2 347.507 2.467 10 0 EEAELP CCC(CC)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCCC1 ZINC000358455343 465133427 /nfs/dbraw/zinc/13/34/27/465133427.db2.gz KEQAKCGJTAUBMS-QAPCUYQASA-N 2 2 347.507 2.467 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)s1 ZINC000358521899 465173119 /nfs/dbraw/zinc/17/31/19/465173119.db2.gz JTVIXTJSJLVELO-AWEZNQCLSA-N 2 2 338.521 2.088 10 0 EEAELP Cc1cccc(C(=O)N2CCC[N@@H+](CCc3c[nH+]cn3C)CC2)c1 ZINC000347714562 465184684 /nfs/dbraw/zinc/18/46/84/465184684.db2.gz DYIFZSJMTZDMLD-UHFFFAOYSA-N 2 2 326.444 2.119 10 0 EEAELP Cc1cccc(C(=O)N2CCC[N@H+](CCc3c[nH+]cn3C)CC2)c1 ZINC000347714562 465184687 /nfs/dbraw/zinc/18/46/87/465184687.db2.gz DYIFZSJMTZDMLD-UHFFFAOYSA-N 2 2 326.444 2.119 10 0 EEAELP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000339438736 465275160 /nfs/dbraw/zinc/27/51/60/465275160.db2.gz XTPDLHJQHZXWGM-GDBMZVCRSA-N 2 2 347.425 2.205 10 0 EEAELP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000339438736 465275167 /nfs/dbraw/zinc/27/51/67/465275167.db2.gz XTPDLHJQHZXWGM-GDBMZVCRSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000339438736 465275175 /nfs/dbraw/zinc/27/51/75/465275175.db2.gz XTPDLHJQHZXWGM-GDBMZVCRSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000339438736 465275179 /nfs/dbraw/zinc/27/51/79/465275179.db2.gz XTPDLHJQHZXWGM-GDBMZVCRSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000358718539 465282972 /nfs/dbraw/zinc/28/29/72/465282972.db2.gz MDYPWQOUHWUQMK-UHFFFAOYSA-N 2 2 330.476 2.242 10 0 EEAELP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000578881208 468272906 /nfs/dbraw/zinc/27/29/06/468272906.db2.gz QSUAEIYEUAKOQZ-HNNXBMFYSA-N 2 2 330.476 2.065 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129921 468300267 /nfs/dbraw/zinc/30/02/67/468300267.db2.gz LWALSANERYTQKI-MAZHCROVSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129921 468300271 /nfs/dbraw/zinc/30/02/71/468300271.db2.gz LWALSANERYTQKI-MAZHCROVSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535129921 468300276 /nfs/dbraw/zinc/30/02/76/468300276.db2.gz LWALSANERYTQKI-MAZHCROVSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535129921 468300280 /nfs/dbraw/zinc/30/02/80/468300280.db2.gz LWALSANERYTQKI-MAZHCROVSA-N 2 2 339.842 2.292 10 0 EEAELP CC[C@@H](CO)[NH+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000128023460 462603097 /nfs/dbraw/zinc/60/30/97/462603097.db2.gz YPFAVPWXYUFCIM-HNNXBMFYSA-N 2 2 329.444 2.445 10 0 EEAELP COc1ccc(C[NH+]2CCN(C(=O)C[NH2+][C@H](C)C(C)(C)C)CC2)cc1 ZINC000114473254 462652400 /nfs/dbraw/zinc/65/24/00/462652400.db2.gz IUEKQIRFZCHECL-MRXNPFEDSA-N 2 2 347.503 2.364 10 0 EEAELP CC1=C(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCCO1 ZINC000153783574 462690980 /nfs/dbraw/zinc/69/09/80/462690980.db2.gz WVPZPCYGGNPXAQ-UHFFFAOYSA-N 2 2 335.492 2.137 10 0 EEAELP C[NH+](C)[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1CO ZINC000075876330 462768719 /nfs/dbraw/zinc/76/87/19/462768719.db2.gz DATQAHHDQRCEKX-UKRRQHHQSA-N 2 2 332.366 2.330 10 0 EEAELP C[NH+](C)[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C[C@@H]1CO ZINC000075876330 462768726 /nfs/dbraw/zinc/76/87/26/462768726.db2.gz DATQAHHDQRCEKX-UKRRQHHQSA-N 2 2 332.366 2.330 10 0 EEAELP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000119532920 462909908 /nfs/dbraw/zinc/90/99/08/462909908.db2.gz XKOBECSSVUCDBS-HNNXBMFYSA-N 2 2 325.478 2.029 10 0 EEAELP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000119532920 462909913 /nfs/dbraw/zinc/90/99/13/462909913.db2.gz XKOBECSSVUCDBS-HNNXBMFYSA-N 2 2 325.478 2.029 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000156389313 463017282 /nfs/dbraw/zinc/01/72/82/463017282.db2.gz YTNBAMNWVRRZJI-MOPGFXCFSA-N 2 2 338.455 2.396 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156389313 463017288 /nfs/dbraw/zinc/01/72/88/463017288.db2.gz YTNBAMNWVRRZJI-MOPGFXCFSA-N 2 2 338.455 2.396 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000093562670 463041618 /nfs/dbraw/zinc/04/16/18/463041618.db2.gz LKKMDZKFTPXXAH-UHFFFAOYSA-N 2 2 329.423 2.312 10 0 EEAELP Cc1cc(NC[C@H](C)C[NH+]2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000077995665 463078534 /nfs/dbraw/zinc/07/85/34/463078534.db2.gz ATTOYSJRXLKCAM-AWEZNQCLSA-N 2 2 327.432 2.227 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000121662486 463174490 /nfs/dbraw/zinc/17/44/90/463174490.db2.gz AVILULIQGSJLFV-MRXNPFEDSA-N 2 2 335.496 2.316 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000121662486 463174495 /nfs/dbraw/zinc/17/44/95/463174495.db2.gz AVILULIQGSJLFV-MRXNPFEDSA-N 2 2 335.496 2.316 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)NC[C@@H](C)[NH+](CC)CC)c[nH+]1 ZINC000079182300 463196108 /nfs/dbraw/zinc/19/61/08/463196108.db2.gz DYCKNBKYMJJINJ-OAHLLOKOSA-N 2 2 335.496 2.457 10 0 EEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000079454422 463217708 /nfs/dbraw/zinc/21/77/08/463217708.db2.gz LSOMPMJPFUEULS-KRWDZBQOSA-N 2 2 347.507 2.326 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000080462292 463321102 /nfs/dbraw/zinc/32/11/02/463321102.db2.gz SUDRSRLRMJRCNF-MRXNPFEDSA-N 2 2 333.480 2.421 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)CCCn1cc[nH+]c1)c1ccccc1 ZINC000081319030 463419537 /nfs/dbraw/zinc/41/95/37/463419537.db2.gz NHUOJLQTWNZBIQ-KRWDZBQOSA-N 2 2 337.427 2.497 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000193812187 463743412 /nfs/dbraw/zinc/74/34/12/463743412.db2.gz FKXAITNNAUGFLS-QGZVFWFLSA-N 2 2 326.868 2.244 10 0 EEAELP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cccc21 ZINC000568716824 468375642 /nfs/dbraw/zinc/37/56/42/468375642.db2.gz OOQPUHJPPWZKSC-CXAGYDPISA-N 2 2 340.427 2.469 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N(C)CCC[NH+](C)C)c[nH+]2)CC1 ZINC000185325455 463801639 /nfs/dbraw/zinc/80/16/39/463801639.db2.gz WRGQQDSYWYPAGQ-UHFFFAOYSA-N 2 2 347.507 2.411 10 0 EEAELP Cc1noc(C[NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)n1 ZINC000283238387 463815572 /nfs/dbraw/zinc/81/55/72/463815572.db2.gz TYVXFGVNFCRZSG-ZDUSSCGKSA-N 2 2 333.461 2.321 10 0 EEAELP Cc1noc(C[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)n1 ZINC000283238387 463815578 /nfs/dbraw/zinc/81/55/78/463815578.db2.gz TYVXFGVNFCRZSG-ZDUSSCGKSA-N 2 2 333.461 2.321 10 0 EEAELP C[N@@H+]1CCO[C@@H](CSCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000579591175 468380984 /nfs/dbraw/zinc/38/09/84/468380984.db2.gz WNSODFAANSKJKY-GOSISDBHSA-N 2 2 336.501 2.083 10 0 EEAELP C[N@H+]1CCO[C@@H](CSCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000579591175 468380986 /nfs/dbraw/zinc/38/09/86/468380986.db2.gz WNSODFAANSKJKY-GOSISDBHSA-N 2 2 336.501 2.083 10 0 EEAELP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261912233 463897985 /nfs/dbraw/zinc/89/79/85/463897985.db2.gz XSKQJZMSZPARSU-OXJNMPFZSA-N 2 2 329.488 2.484 10 0 EEAELP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261912233 463897989 /nfs/dbraw/zinc/89/79/89/463897989.db2.gz XSKQJZMSZPARSU-OXJNMPFZSA-N 2 2 329.488 2.484 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000186412194 463995016 /nfs/dbraw/zinc/99/50/16/463995016.db2.gz HSCAHQZURCRQKL-UHFFFAOYSA-N 2 2 343.475 2.219 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000225479331 464163913 /nfs/dbraw/zinc/16/39/13/464163913.db2.gz FDXCRMDMHJJYLD-AAEUAGOBSA-N 2 2 332.839 2.430 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000225479331 464163917 /nfs/dbraw/zinc/16/39/17/464163917.db2.gz FDXCRMDMHJJYLD-AAEUAGOBSA-N 2 2 332.839 2.430 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292270453 464180581 /nfs/dbraw/zinc/18/05/81/464180581.db2.gz ZNHMHXBKZZPVJZ-DNVCBOLYSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292270453 464180586 /nfs/dbraw/zinc/18/05/86/464180586.db2.gz ZNHMHXBKZZPVJZ-DNVCBOLYSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292270453 464180592 /nfs/dbraw/zinc/18/05/92/464180592.db2.gz ZNHMHXBKZZPVJZ-DNVCBOLYSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292270453 464180598 /nfs/dbraw/zinc/18/05/98/464180598.db2.gz ZNHMHXBKZZPVJZ-DNVCBOLYSA-N 2 2 333.451 2.373 10 0 EEAELP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768487 464335288 /nfs/dbraw/zinc/33/52/88/464335288.db2.gz KDNIRNQHHNINGO-IEBWSBKVSA-N 2 2 325.460 2.243 10 0 EEAELP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768487 464335293 /nfs/dbraw/zinc/33/52/93/464335293.db2.gz KDNIRNQHHNINGO-IEBWSBKVSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768487 464335296 /nfs/dbraw/zinc/33/52/96/464335296.db2.gz KDNIRNQHHNINGO-IEBWSBKVSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768487 464335299 /nfs/dbraw/zinc/33/52/99/464335299.db2.gz KDNIRNQHHNINGO-IEBWSBKVSA-N 2 2 325.460 2.243 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000579788359 468407937 /nfs/dbraw/zinc/40/79/37/468407937.db2.gz NOKZUHRQQXBPEJ-IBGZPJMESA-N 2 2 326.444 2.166 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000579788359 468407944 /nfs/dbraw/zinc/40/79/44/468407944.db2.gz NOKZUHRQQXBPEJ-IBGZPJMESA-N 2 2 326.444 2.166 10 0 EEAELP Cc1ccc(-c2noc(NCC[NH+]3CCC([NH+](C)C)CC3)n2)cc1 ZINC000272345358 464572952 /nfs/dbraw/zinc/57/29/52/464572952.db2.gz XLLPZEWBGNIJHI-UHFFFAOYSA-N 2 2 329.448 2.483 10 0 EEAELP COc1c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)nn1C ZINC000190491453 464657978 /nfs/dbraw/zinc/65/79/78/464657978.db2.gz FBNNXEDSLUQRQS-QGZVFWFLSA-N 2 2 343.475 2.086 10 0 EEAELP COc1c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c(C)nn1C ZINC000190491453 464657982 /nfs/dbraw/zinc/65/79/82/464657982.db2.gz FBNNXEDSLUQRQS-QGZVFWFLSA-N 2 2 343.475 2.086 10 0 EEAELP COc1c(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c(C)nn1C ZINC000190491453 464657985 /nfs/dbraw/zinc/65/79/85/464657985.db2.gz FBNNXEDSLUQRQS-QGZVFWFLSA-N 2 2 343.475 2.086 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000285809230 464703555 /nfs/dbraw/zinc/70/35/55/464703555.db2.gz RMLOLLGWXDUGMS-QGZVFWFLSA-N 2 2 338.455 2.147 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000285809230 464703563 /nfs/dbraw/zinc/70/35/63/464703563.db2.gz RMLOLLGWXDUGMS-QGZVFWFLSA-N 2 2 338.455 2.147 10 0 EEAELP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176281146 464738726 /nfs/dbraw/zinc/73/87/26/464738726.db2.gz VNMHQGJZNXVLJG-CABCVRRESA-N 2 2 349.441 2.451 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176281146 464738732 /nfs/dbraw/zinc/73/87/32/464738732.db2.gz VNMHQGJZNXVLJG-CABCVRRESA-N 2 2 349.441 2.451 10 0 EEAELP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176281146 464738738 /nfs/dbraw/zinc/73/87/38/464738738.db2.gz VNMHQGJZNXVLJG-CABCVRRESA-N 2 2 349.441 2.451 10 0 EEAELP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176281146 464738744 /nfs/dbraw/zinc/73/87/44/464738744.db2.gz VNMHQGJZNXVLJG-CABCVRRESA-N 2 2 349.441 2.451 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248657596 464782861 /nfs/dbraw/zinc/78/28/61/464782861.db2.gz SMMIJBWTUSNZPG-RTWAWAEBSA-N 2 2 339.483 2.439 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248657596 464782866 /nfs/dbraw/zinc/78/28/66/464782866.db2.gz SMMIJBWTUSNZPG-RTWAWAEBSA-N 2 2 339.483 2.439 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248657596 464782872 /nfs/dbraw/zinc/78/28/72/464782872.db2.gz SMMIJBWTUSNZPG-RTWAWAEBSA-N 2 2 339.483 2.439 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248657596 464782875 /nfs/dbraw/zinc/78/28/75/464782875.db2.gz SMMIJBWTUSNZPG-RTWAWAEBSA-N 2 2 339.483 2.439 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000183804233 464913226 /nfs/dbraw/zinc/91/32/26/464913226.db2.gz LAWSEAOGINOXPP-RDJZCZTQSA-N 2 2 336.443 2.125 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000183804233 464913231 /nfs/dbraw/zinc/91/32/31/464913231.db2.gz LAWSEAOGINOXPP-RDJZCZTQSA-N 2 2 336.443 2.125 10 0 EEAELP COC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000361106243 465768503 /nfs/dbraw/zinc/76/85/03/465768503.db2.gz FFMMRTXSWODUAY-UHFFFAOYSA-N 2 2 341.411 2.199 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccncc2OC)CC1 ZINC000361117344 465775797 /nfs/dbraw/zinc/77/57/97/465775797.db2.gz JBIKSBAYJTZMPM-AWEZNQCLSA-N 2 2 335.448 2.158 10 0 EEAELP C[N@H+](CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1)Cc1ccccc1 ZINC000357117668 465787580 /nfs/dbraw/zinc/78/75/80/465787580.db2.gz OPNFQAXBWTXLQT-UHFFFAOYSA-N 2 2 335.411 2.129 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1)Cc1ccccc1 ZINC000357117668 465787588 /nfs/dbraw/zinc/78/75/88/465787588.db2.gz OPNFQAXBWTXLQT-UHFFFAOYSA-N 2 2 335.411 2.129 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000361323987 465908803 /nfs/dbraw/zinc/90/88/03/465908803.db2.gz KPZAFYRBBHHNBC-INIZCTEOSA-N 2 2 341.459 2.224 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000361323987 465908806 /nfs/dbraw/zinc/90/88/06/465908806.db2.gz KPZAFYRBBHHNBC-INIZCTEOSA-N 2 2 341.459 2.224 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000346210876 465996131 /nfs/dbraw/zinc/99/61/31/465996131.db2.gz OHFZJFLJHJCMQQ-RDBSUJKOSA-N 2 2 325.403 2.406 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000346210876 465996136 /nfs/dbraw/zinc/99/61/36/465996136.db2.gz OHFZJFLJHJCMQQ-RDBSUJKOSA-N 2 2 325.403 2.406 10 0 EEAELP C[NH+](C)CCOC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346215290 466000112 /nfs/dbraw/zinc/00/01/12/466000112.db2.gz JODAKAVSEPUXRB-UHFFFAOYSA-N 3 2 334.489 2.476 10 0 EEAELP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)CS(C)(=O)=O ZINC000346232738 466013344 /nfs/dbraw/zinc/01/33/44/466013344.db2.gz YNGRVZCUZKHYKZ-LBPRGKRZSA-N 2 2 327.475 2.189 10 0 EEAELP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H](C)CS(C)(=O)=O ZINC000346232738 466013350 /nfs/dbraw/zinc/01/33/50/466013350.db2.gz YNGRVZCUZKHYKZ-LBPRGKRZSA-N 2 2 327.475 2.189 10 0 EEAELP CC(C)(C)n1ncc2c1nc[nH+]c2NCCCC[NH+]1CCOCC1 ZINC000301819473 466037792 /nfs/dbraw/zinc/03/77/92/466037792.db2.gz AORCZFMWXKHBOY-UHFFFAOYSA-N 2 2 332.452 2.106 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000569353170 468478876 /nfs/dbraw/zinc/47/88/76/468478876.db2.gz NQORSIBNLVUWIJ-HNNXBMFYSA-N 2 2 330.476 2.267 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000569353170 468478877 /nfs/dbraw/zinc/47/88/77/468478877.db2.gz NQORSIBNLVUWIJ-HNNXBMFYSA-N 2 2 330.476 2.267 10 0 EEAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000367428242 466330748 /nfs/dbraw/zinc/33/07/48/466330748.db2.gz GPYXFQDOEWGLNX-LJQANCHMSA-N 2 2 330.476 2.067 10 0 EEAELP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000361972560 466449436 /nfs/dbraw/zinc/44/94/36/466449436.db2.gz SENRPUWTWPYSFT-GOSISDBHSA-N 2 2 325.456 2.412 10 0 EEAELP Cc1cccc(O[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000362021603 466490190 /nfs/dbraw/zinc/49/01/90/466490190.db2.gz ZLUPTOOCZKPVBO-RTBURBONSA-N 2 2 345.487 2.049 10 0 EEAELP COc1cccc2c1CC[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC000423224525 466699307 /nfs/dbraw/zinc/69/93/07/466699307.db2.gz CHCSSTAKGCTLPA-INIZCTEOSA-N 2 2 338.455 2.469 10 0 EEAELP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423251114 466703437 /nfs/dbraw/zinc/70/34/37/466703437.db2.gz WBLNXTSGVKKQME-KSSFIOAISA-N 2 2 347.484 2.288 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)CC2 ZINC000374647264 466704539 /nfs/dbraw/zinc/70/45/39/466704539.db2.gz NGFANQLGFAJDPE-MRXNPFEDSA-N 2 2 333.480 2.227 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000423494966 466758333 /nfs/dbraw/zinc/75/83/33/466758333.db2.gz SYTNVQHBKKXZNN-YLJYHZDGSA-N 3 2 331.504 2.050 10 0 EEAELP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000417081735 466773928 /nfs/dbraw/zinc/77/39/28/466773928.db2.gz UCTDYOYZAYNZBO-QAPCUYQASA-N 2 2 341.459 2.200 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000411257699 466795334 /nfs/dbraw/zinc/79/53/34/466795334.db2.gz KWIDFUAVMWARHB-UHFFFAOYSA-N 2 2 346.475 2.184 10 0 EEAELP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000417473695 466866022 /nfs/dbraw/zinc/86/60/22/466866022.db2.gz ZOIQPONQTJPESI-HAQNSBGRSA-N 2 2 347.385 2.010 10 0 EEAELP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000423912757 466905769 /nfs/dbraw/zinc/90/57/69/466905769.db2.gz JBGHYQVJBLQCJW-SUMWQHHRSA-N 2 2 335.879 2.202 10 0 EEAELP C[C@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000423912757 466905775 /nfs/dbraw/zinc/90/57/75/466905775.db2.gz JBGHYQVJBLQCJW-SUMWQHHRSA-N 2 2 335.879 2.202 10 0 EEAELP CCc1[nH+]c2cc(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc2n1C1CC1 ZINC000418161186 467062717 /nfs/dbraw/zinc/06/27/17/467062717.db2.gz SSHALADAYJPMOO-NEPJUHHUSA-N 2 2 329.448 2.469 10 0 EEAELP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000378044318 467186120 /nfs/dbraw/zinc/18/61/20/467186120.db2.gz AHCHIIMFHHXJJZ-MRXNPFEDSA-N 2 2 347.507 2.324 10 0 EEAELP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000378044318 467186122 /nfs/dbraw/zinc/18/61/22/467186122.db2.gz AHCHIIMFHHXJJZ-MRXNPFEDSA-N 2 2 347.507 2.324 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432344847 467233101 /nfs/dbraw/zinc/23/31/01/467233101.db2.gz FXVRHXZDTDWRLE-MRXNPFEDSA-N 3 2 343.475 2.166 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432344847 467233104 /nfs/dbraw/zinc/23/31/04/467233104.db2.gz FXVRHXZDTDWRLE-MRXNPFEDSA-N 3 2 343.475 2.166 10 0 EEAELP C[C@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433066749 467288519 /nfs/dbraw/zinc/28/85/19/467288519.db2.gz KSJQMPLGSXOSAH-BFWZDYSYSA-N 2 2 342.487 2.287 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433902539 467361533 /nfs/dbraw/zinc/36/15/33/467361533.db2.gz CTWZUFOWNPIGCK-INIZCTEOSA-N 2 2 333.480 2.355 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433902539 467361536 /nfs/dbraw/zinc/36/15/36/467361536.db2.gz CTWZUFOWNPIGCK-INIZCTEOSA-N 2 2 333.480 2.355 10 0 EEAELP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000420365501 467380087 /nfs/dbraw/zinc/38/00/87/467380087.db2.gz QDRKBJALUYTVEB-SFHVURJKSA-N 2 2 347.503 2.157 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000414274675 467396574 /nfs/dbraw/zinc/39/65/74/467396574.db2.gz VHEHVTWNAYZIAC-MTFMMBMASA-N 2 2 331.504 2.063 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000414274675 467396575 /nfs/dbraw/zinc/39/65/75/467396575.db2.gz VHEHVTWNAYZIAC-MTFMMBMASA-N 2 2 331.504 2.063 10 0 EEAELP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C2CC2)c1 ZINC000453267707 467473944 /nfs/dbraw/zinc/47/39/44/467473944.db2.gz PORREMSLBVKFCC-UYAOXDASSA-N 2 2 332.488 2.453 10 0 EEAELP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C2CC2)c1 ZINC000453267707 467473948 /nfs/dbraw/zinc/47/39/48/467473948.db2.gz PORREMSLBVKFCC-UYAOXDASSA-N 2 2 332.488 2.453 10 0 EEAELP CC(C)(CN1CCCC1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420972654 467523309 /nfs/dbraw/zinc/52/33/09/467523309.db2.gz MFNNGWIMKSIMGF-UHFFFAOYSA-N 2 2 331.504 2.483 10 0 EEAELP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCc1c[nH+]c(C)cc1C ZINC000415250214 467527221 /nfs/dbraw/zinc/52/72/21/467527221.db2.gz AHQWFAJDDMELKF-UHFFFAOYSA-N 2 2 340.427 2.063 10 0 EEAELP COc1cc(F)cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000449025880 467613432 /nfs/dbraw/zinc/61/34/32/467613432.db2.gz CUKHMFNALWWJAJ-UHFFFAOYSA-N 2 2 345.422 2.013 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449038302 467614814 /nfs/dbraw/zinc/61/48/14/467614814.db2.gz SSKCLHXEUOLGRI-MRXNPFEDSA-N 2 2 333.457 2.260 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449038302 467614816 /nfs/dbraw/zinc/61/48/16/467614816.db2.gz SSKCLHXEUOLGRI-MRXNPFEDSA-N 2 2 333.457 2.260 10 0 EEAELP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000458241845 467796049 /nfs/dbraw/zinc/79/60/49/467796049.db2.gz AJOGGQKOHGMSDE-GFCCVEGCSA-N 2 2 347.385 2.070 10 0 EEAELP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000458241845 467796050 /nfs/dbraw/zinc/79/60/50/467796050.db2.gz AJOGGQKOHGMSDE-GFCCVEGCSA-N 2 2 347.385 2.070 10 0 EEAELP COCCOc1ccccc1C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529663896 467892281 /nfs/dbraw/zinc/89/22/81/467892281.db2.gz MKURJTHFTOEIDL-UHFFFAOYSA-N 2 2 348.487 2.399 10 0 EEAELP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000518760143 468125291 /nfs/dbraw/zinc/12/52/91/468125291.db2.gz LTXGDVIKMPEIPR-HZPDHXFCSA-N 2 2 329.444 2.222 10 0 EEAELP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000518760143 468125293 /nfs/dbraw/zinc/12/52/93/468125293.db2.gz LTXGDVIKMPEIPR-HZPDHXFCSA-N 2 2 329.444 2.222 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)ccc2n1[C@H](C)CO ZINC000519638437 468187189 /nfs/dbraw/zinc/18/71/89/468187189.db2.gz BMYSJASNMVZXHM-CHWSQXEVSA-N 2 2 330.432 2.178 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)C[N@H+]3CC[C@@H](C)C3)ccc2n1[C@H](C)CO ZINC000519638437 468187193 /nfs/dbraw/zinc/18/71/93/468187193.db2.gz BMYSJASNMVZXHM-CHWSQXEVSA-N 2 2 330.432 2.178 10 0 EEAELP CC1(C)C[NH+](CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000570643928 468670102 /nfs/dbraw/zinc/67/01/02/468670102.db2.gz CCNLCELBGZQJQN-UHFFFAOYSA-N 2 2 332.835 2.484 10 0 EEAELP Oc1cccc(C[NH+]2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000572008762 468871954 /nfs/dbraw/zinc/87/19/54/468871954.db2.gz ZXGYOPQEDQBBCW-UHFFFAOYSA-N 2 2 337.467 2.356 10 0 EEAELP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1c[nH+]ccc1N ZINC000584523856 468891627 /nfs/dbraw/zinc/89/16/27/468891627.db2.gz BXGYGONFRYMBQV-MRXNPFEDSA-N 3 2 331.508 2.095 10 0 EEAELP Cc1[nH+]cc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1C ZINC000584666558 468912059 /nfs/dbraw/zinc/91/20/59/468912059.db2.gz YXCZFFVRNKNKTK-UHFFFAOYSA-N 2 2 335.839 2.104 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000584872784 468952087 /nfs/dbraw/zinc/95/20/87/468952087.db2.gz IRGDHLWEUQOHEF-WMLDXEAASA-N 2 2 345.422 2.008 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000584872784 468952092 /nfs/dbraw/zinc/95/20/92/468952092.db2.gz IRGDHLWEUQOHEF-WMLDXEAASA-N 2 2 345.422 2.008 10 0 EEAELP CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595890496 469066011 /nfs/dbraw/zinc/06/60/11/469066011.db2.gz DHWKAGTVZGRPGJ-SJORKVTESA-N 2 2 332.444 2.134 10 0 EEAELP CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595890496 469066014 /nfs/dbraw/zinc/06/60/14/469066014.db2.gz DHWKAGTVZGRPGJ-SJORKVTESA-N 2 2 332.444 2.134 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573370351 469117384 /nfs/dbraw/zinc/11/73/84/469117384.db2.gz BANWNOPJLJURNJ-KDOFPFPSSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573370351 469117392 /nfs/dbraw/zinc/11/73/92/469117392.db2.gz BANWNOPJLJURNJ-KDOFPFPSSA-N 2 2 335.879 2.420 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000588691678 469157227 /nfs/dbraw/zinc/15/72/27/469157227.db2.gz QEOCYEMYHZMXET-ZWKOTPCHSA-N 2 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000588691678 469157230 /nfs/dbraw/zinc/15/72/30/469157230.db2.gz QEOCYEMYHZMXET-ZWKOTPCHSA-N 2 2 328.460 2.082 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000588691678 469157233 /nfs/dbraw/zinc/15/72/33/469157233.db2.gz QEOCYEMYHZMXET-ZWKOTPCHSA-N 2 2 328.460 2.082 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000588691678 469157236 /nfs/dbraw/zinc/15/72/36/469157236.db2.gz QEOCYEMYHZMXET-ZWKOTPCHSA-N 2 2 328.460 2.082 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccncn2)C1 ZINC000588691534 469158316 /nfs/dbraw/zinc/15/83/16/469158316.db2.gz OTDKCXIADKGXAJ-RTBURBONSA-N 2 2 340.471 2.149 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccncn2)C1 ZINC000588691534 469158319 /nfs/dbraw/zinc/15/83/19/469158319.db2.gz OTDKCXIADKGXAJ-RTBURBONSA-N 2 2 340.471 2.149 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000588691534 469158326 /nfs/dbraw/zinc/15/83/26/469158326.db2.gz OTDKCXIADKGXAJ-RTBURBONSA-N 2 2 340.471 2.149 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000588691534 469158332 /nfs/dbraw/zinc/15/83/32/469158332.db2.gz OTDKCXIADKGXAJ-RTBURBONSA-N 2 2 340.471 2.149 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000596169968 469184499 /nfs/dbraw/zinc/18/44/99/469184499.db2.gz MKYDNXXCTYWUFK-DOTOQJQBSA-N 2 2 329.444 2.250 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000596169968 469184507 /nfs/dbraw/zinc/18/45/07/469184507.db2.gz MKYDNXXCTYWUFK-DOTOQJQBSA-N 2 2 329.444 2.250 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(c4ccc(F)cc4)CC3)C2)CC1 ZINC000602195134 469236689 /nfs/dbraw/zinc/23/66/89/469236689.db2.gz LGIDHXYYGQHOJN-KRWDZBQOSA-N 2 2 345.462 2.142 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(c4ccc(F)cc4)CC3)C2)CC1 ZINC000602195134 469236694 /nfs/dbraw/zinc/23/66/94/469236694.db2.gz LGIDHXYYGQHOJN-KRWDZBQOSA-N 2 2 345.462 2.142 10 0 EEAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)COCc1ccccc1F ZINC000629600699 469589187 /nfs/dbraw/zinc/58/91/87/469589187.db2.gz BBNQGNXNGAUWRK-ROUUACIJSA-N 2 2 336.451 2.310 10 0 EEAELP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)COCc1ccccc1F ZINC000629600699 469589191 /nfs/dbraw/zinc/58/91/91/469589191.db2.gz BBNQGNXNGAUWRK-ROUUACIJSA-N 2 2 336.451 2.310 10 0 EEAELP Cc1nc(N2CCc3[nH+]ccc(N)c3C2)c(Br)c(C)[nH+]1 ZINC000623282975 469608576 /nfs/dbraw/zinc/60/85/76/469608576.db2.gz IVKCWFXXLNPFOD-UHFFFAOYSA-N 2 2 334.221 2.396 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)CC2 ZINC000623456962 469661796 /nfs/dbraw/zinc/66/17/96/469661796.db2.gz USECYDIXLQBZFE-ZIAGYGMSSA-N 2 2 332.473 2.235 10 0 EEAELP C[N@@H+]1CCCC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000623471780 469667127 /nfs/dbraw/zinc/66/71/27/469667127.db2.gz SCSORZNZBMIXQK-MRXNPFEDSA-N 2 2 345.491 2.082 10 0 EEAELP C[N@H+]1CCCC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000623471780 469667131 /nfs/dbraw/zinc/66/71/31/469667131.db2.gz SCSORZNZBMIXQK-MRXNPFEDSA-N 2 2 345.491 2.082 10 0 EEAELP CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000617550838 469722065 /nfs/dbraw/zinc/72/20/65/469722065.db2.gz FLHBQHDNAILKQY-KRWDZBQOSA-N 2 2 326.444 2.027 10 0 EEAELP CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000617550838 469722068 /nfs/dbraw/zinc/72/20/68/469722068.db2.gz FLHBQHDNAILKQY-KRWDZBQOSA-N 2 2 326.444 2.027 10 0 EEAELP Cc1ccc([C@@H]2C[C@H]2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000617763155 469795512 /nfs/dbraw/zinc/79/55/12/469795512.db2.gz HJQBPAJVNDXQBN-RBUKOAKNSA-N 2 2 331.504 2.407 10 0 EEAELP Cc1ccc([C@@H]2C[C@H]2C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000617763155 469795517 /nfs/dbraw/zinc/79/55/17/469795517.db2.gz HJQBPAJVNDXQBN-RBUKOAKNSA-N 2 2 331.504 2.407 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000617766876 469797235 /nfs/dbraw/zinc/79/72/35/469797235.db2.gz XMIDPCHBIUHIJG-PZJWPPBQSA-N 2 2 343.515 2.280 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000617766876 469797238 /nfs/dbraw/zinc/79/72/38/469797238.db2.gz XMIDPCHBIUHIJG-PZJWPPBQSA-N 2 2 343.515 2.280 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621371644 470038691 /nfs/dbraw/zinc/03/86/91/470038691.db2.gz HVDNHKCQJQKLAM-IIAWOOMASA-N 2 2 342.443 2.354 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621371644 470038693 /nfs/dbraw/zinc/03/86/93/470038693.db2.gz HVDNHKCQJQKLAM-IIAWOOMASA-N 2 2 342.443 2.354 10 0 EEAELP C[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631110153 470070333 /nfs/dbraw/zinc/07/03/33/470070333.db2.gz KWOZWNWYMNTHLI-BBWFWOEESA-N 2 2 347.507 2.057 10 0 EEAELP C[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000631110153 470070336 /nfs/dbraw/zinc/07/03/36/470070336.db2.gz KWOZWNWYMNTHLI-BBWFWOEESA-N 2 2 347.507 2.057 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(F)c1 ZINC000631112625 470071133 /nfs/dbraw/zinc/07/11/33/470071133.db2.gz WXOHDOIKNWPBOB-INIZCTEOSA-N 2 2 330.407 2.148 10 0 EEAELP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631170133 470084689 /nfs/dbraw/zinc/08/46/89/470084689.db2.gz XNEBDSFIRYJRHD-IRXDYDNUSA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631170133 470084692 /nfs/dbraw/zinc/08/46/92/470084692.db2.gz XNEBDSFIRYJRHD-IRXDYDNUSA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N)nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000631170133 470084696 /nfs/dbraw/zinc/08/46/96/470084696.db2.gz XNEBDSFIRYJRHD-IRXDYDNUSA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N)nc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000631170133 470084699 /nfs/dbraw/zinc/08/46/99/470084699.db2.gz XNEBDSFIRYJRHD-IRXDYDNUSA-N 2 2 338.459 2.253 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)n1C ZINC000631190961 470089711 /nfs/dbraw/zinc/08/97/11/470089711.db2.gz KTXBEJGOLSBCKI-CQSZACIVSA-N 2 2 342.365 2.328 10 0 EEAELP CN(C(=O)C1(C(F)F)CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247514 470101432 /nfs/dbraw/zinc/10/14/32/470101432.db2.gz VPELZSKPZVXTJL-CQSZACIVSA-N 2 2 329.435 2.049 10 0 EEAELP CN(C(=O)C1(C(F)F)CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247514 470101435 /nfs/dbraw/zinc/10/14/35/470101435.db2.gz VPELZSKPZVXTJL-CQSZACIVSA-N 2 2 329.435 2.049 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621751334 470103804 /nfs/dbraw/zinc/10/38/04/470103804.db2.gz DMKRRMGHBIBPSK-SJLPKXTDSA-N 2 2 331.460 2.185 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621751334 470103807 /nfs/dbraw/zinc/10/38/07/470103807.db2.gz DMKRRMGHBIBPSK-SJLPKXTDSA-N 2 2 331.460 2.185 10 0 EEAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000625332147 470121131 /nfs/dbraw/zinc/12/11/31/470121131.db2.gz FQJXFVPVXZNIFF-OALUTQOASA-N 2 2 334.504 2.399 10 0 EEAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000625332147 470121134 /nfs/dbraw/zinc/12/11/34/470121134.db2.gz FQJXFVPVXZNIFF-OALUTQOASA-N 2 2 334.504 2.399 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)CC2 ZINC000625642704 470167897 /nfs/dbraw/zinc/16/78/97/470167897.db2.gz VQDLXBUBJWDSLW-OAHLLOKOSA-N 2 2 344.434 2.271 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N(Cc1ccccc1)C1CC1 ZINC000631886726 470189537 /nfs/dbraw/zinc/18/95/37/470189537.db2.gz JOLZJBAXGWXXST-IEBWSBKVSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N(Cc1ccccc1)C1CC1 ZINC000631886726 470189538 /nfs/dbraw/zinc/18/95/38/470189538.db2.gz JOLZJBAXGWXXST-IEBWSBKVSA-N 2 2 327.472 2.252 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000634704383 470282188 /nfs/dbraw/zinc/28/21/88/470282188.db2.gz KFOZLYUFWGKQKL-AABGKKOBSA-N 2 2 332.488 2.153 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000634704383 470282189 /nfs/dbraw/zinc/28/21/89/470282189.db2.gz KFOZLYUFWGKQKL-AABGKKOBSA-N 2 2 332.488 2.153 10 0 EEAELP c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@H]4C[NH2+]CC[C@H]43)c12 ZINC000634812463 470324514 /nfs/dbraw/zinc/32/45/14/470324514.db2.gz ITXTYECZRMMNHT-WMLDXEAASA-N 2 2 334.427 2.394 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cn21 ZINC000645932247 470463291 /nfs/dbraw/zinc/46/32/91/470463291.db2.gz AEWBQBCNPWZWII-WBVHZDCISA-N 2 2 343.475 2.309 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cn21 ZINC000645932247 470463299 /nfs/dbraw/zinc/46/32/99/470463299.db2.gz AEWBQBCNPWZWII-WBVHZDCISA-N 2 2 343.475 2.309 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cn21 ZINC000645932246 470464755 /nfs/dbraw/zinc/46/47/55/470464755.db2.gz AEWBQBCNPWZWII-RDJZCZTQSA-N 2 2 343.475 2.309 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cn21 ZINC000645932246 470464759 /nfs/dbraw/zinc/46/47/59/470464759.db2.gz AEWBQBCNPWZWII-RDJZCZTQSA-N 2 2 343.475 2.309 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)CCN(C)c3cc[nH+]cc3)cn21 ZINC000649206906 470498644 /nfs/dbraw/zinc/49/86/44/470498644.db2.gz KEYIGMJEGGHVFN-UHFFFAOYSA-N 2 2 337.427 2.223 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)NC/C=C/C[NH3+] ZINC000641870135 470505526 /nfs/dbraw/zinc/50/55/26/470505526.db2.gz PLNCJVDYIWQMHL-MBVDDHJVSA-N 2 2 327.432 2.034 10 0 EEAELP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N[C@H]1CCCc2ccccc21 ZINC000647814669 470991049 /nfs/dbraw/zinc/99/10/49/470991049.db2.gz YYYBXKSXBIGTEG-IBGZPJMESA-N 2 2 327.472 2.397 10 0 EEAELP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N[C@H]1CCCc2ccccc21 ZINC000647814669 470991053 /nfs/dbraw/zinc/99/10/53/470991053.db2.gz YYYBXKSXBIGTEG-IBGZPJMESA-N 2 2 327.472 2.397 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900958 471011460 /nfs/dbraw/zinc/01/14/60/471011460.db2.gz IATXVUFTBSNNGP-QXAKKESOSA-N 2 2 329.488 2.464 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900958 471011463 /nfs/dbraw/zinc/01/14/63/471011463.db2.gz IATXVUFTBSNNGP-QXAKKESOSA-N 2 2 329.488 2.464 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901181 471012607 /nfs/dbraw/zinc/01/26/07/471012607.db2.gz KLGBBDYNLSILNY-INMHGKMJSA-N 2 2 347.528 2.485 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901181 471012609 /nfs/dbraw/zinc/01/26/09/471012609.db2.gz KLGBBDYNLSILNY-INMHGKMJSA-N 2 2 347.528 2.485 10 0 EEAELP Cc1ccccc1-n1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000648010472 471049285 /nfs/dbraw/zinc/04/92/85/471049285.db2.gz DPRYNHHCALSQMB-GOSISDBHSA-N 2 2 340.471 2.335 10 0 EEAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cn1 ZINC000648010472 471049290 /nfs/dbraw/zinc/04/92/90/471049290.db2.gz DPRYNHHCALSQMB-GOSISDBHSA-N 2 2 340.471 2.335 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000657801215 471235526 /nfs/dbraw/zinc/23/55/26/471235526.db2.gz OYWABQMPEAIVKB-PMACEKPBSA-N 2 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C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCC(F)CC1 ZINC000658293863 471285668 /nfs/dbraw/zinc/28/56/68/471285668.db2.gz PEXLMZSGOGNOJJ-WWDZGPRUSA-N 2 2 341.515 2.289 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCC(F)CC1 ZINC000658293863 471285671 /nfs/dbraw/zinc/28/56/71/471285671.db2.gz PEXLMZSGOGNOJJ-WWDZGPRUSA-N 2 2 341.515 2.289 10 0 EEAELP CCC(C)(C)[NH+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000655271439 471295197 /nfs/dbraw/zinc/29/51/97/471295197.db2.gz HIFXRCQTNPSAQK-UHFFFAOYSA-N 2 2 327.432 2.214 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000652522309 471304565 /nfs/dbraw/zinc/30/45/65/471304565.db2.gz CNBHZIPDEHGSGT-UHFFFAOYSA-N 2 2 347.503 2.227 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000652522309 471304567 /nfs/dbraw/zinc/30/45/67/471304567.db2.gz CNBHZIPDEHGSGT-UHFFFAOYSA-N 2 2 347.503 2.227 10 0 EEAELP CN(CC1C[NH+](C)C1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000663455945 471386674 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/nfs/dbraw/zinc/05/97/60/1190059760.db2.gz IUNVCXZQBSEMEL-HOCLYGCPSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483356862 1190395928 /nfs/dbraw/zinc/39/59/28/1190395928.db2.gz MGUIVXSHGNIEOE-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483356862 1190395931 /nfs/dbraw/zinc/39/59/31/1190395931.db2.gz MGUIVXSHGNIEOE-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1cc(O)ccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001483419485 1190466801 /nfs/dbraw/zinc/46/68/01/1190466801.db2.gz JANRFOSKCVORCD-ZDUSSCGKSA-N 2 2 339.867 2.078 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1cc(O)ccc1Cl)NC(=O)C[NH+]1CCCC1 ZINC001483419485 1190466805 /nfs/dbraw/zinc/46/68/05/1190466805.db2.gz JANRFOSKCVORCD-ZDUSSCGKSA-N 2 2 339.867 2.078 10 0 EEAELP O=C(N[C@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483571577 1190561227 /nfs/dbraw/zinc/56/12/27/1190561227.db2.gz RISREECGBYEQOX-IEBWSBKVSA-N 2 2 342.487 2.430 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)C1CC1 ZINC001483597130 1190581704 /nfs/dbraw/zinc/58/17/04/1190581704.db2.gz VRJLCEVCCBMHCP-UONOGXRCSA-N 2 2 340.418 2.262 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)o1 ZINC001409789332 1190621725 /nfs/dbraw/zinc/62/17/25/1190621725.db2.gz SJIZFJJEXTYUAP-UHFFFAOYSA-N 2 2 345.447 2.166 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)CC2)o1 ZINC001483746063 1190898453 /nfs/dbraw/zinc/89/84/53/1190898453.db2.gz JPFAOTQJZGQWOL-UHFFFAOYSA-N 2 2 348.491 2.374 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC2)o1 ZINC001483746063 1190898456 /nfs/dbraw/zinc/89/84/56/1190898456.db2.gz JPFAOTQJZGQWOL-UHFFFAOYSA-N 2 2 348.491 2.374 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074268 1191194198 /nfs/dbraw/zinc/19/41/98/1191194198.db2.gz QUGKOBQRRACYOR-GOSISDBHSA-N 2 2 345.447 2.084 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074268 1191194200 /nfs/dbraw/zinc/19/42/00/1191194200.db2.gz QUGKOBQRRACYOR-GOSISDBHSA-N 2 2 345.447 2.084 10 0 EEAELP C[C@@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001484100824 1191210890 /nfs/dbraw/zinc/21/08/90/1191210890.db2.gz OWGFOKURMDVAIW-XLIONFOSSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484128905 1191225499 /nfs/dbraw/zinc/22/54/99/1191225499.db2.gz SGIXGNLZGVEURA-LJQANCHMSA-N 2 2 344.434 2.359 10 0 EEAELP CC1(CNC(=O)Cn2cc[nH+]c2)CC[NH+](Cc2ccccc2F)CC1 ZINC001484146599 1191234888 /nfs/dbraw/zinc/23/48/88/1191234888.db2.gz ICKCIAJBDNGJLF-UHFFFAOYSA-N 2 2 344.434 2.441 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484538670 1191405058 /nfs/dbraw/zinc/40/50/58/1191405058.db2.gz FPEFKIAGLOSMIG-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCC[C@@H](C)O)CCC3)ccn12 ZINC001484634590 1191446266 /nfs/dbraw/zinc/44/62/66/1191446266.db2.gz OAWFCPSKSYIEOT-OAHLLOKOSA-N 2 2 344.459 2.046 10 0 EEAELP CN(CCC[N@H+](C)[C@H]1CCc2c1cccc2F)C(=O)Cn1cc[nH+]c1 ZINC001484769314 1191512339 /nfs/dbraw/zinc/51/23/39/1191512339.db2.gz CODVHGIHRZDTEQ-SFHVURJKSA-N 2 2 344.434 2.490 10 0 EEAELP CN(CCC[N@@H+](C)[C@H]1CCc2c1cccc2F)C(=O)Cn1cc[nH+]c1 ZINC001484769314 1191512340 /nfs/dbraw/zinc/51/23/40/1191512340.db2.gz CODVHGIHRZDTEQ-SFHVURJKSA-N 2 2 344.434 2.490 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484889817 1191563330 /nfs/dbraw/zinc/56/33/30/1191563330.db2.gz WXALPYVKNPADTO-LPHOPBHVSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484889817 1191563331 /nfs/dbraw/zinc/56/33/31/1191563331.db2.gz WXALPYVKNPADTO-LPHOPBHVSA-N 2 2 340.471 2.412 10 0 EEAELP C[N@H+](CCCF)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485055148 1191628610 /nfs/dbraw/zinc/62/86/10/1191628610.db2.gz IXIPIFTZYVOVGT-MRXNPFEDSA-N 2 2 336.455 2.044 10 0 EEAELP C[N@@H+](CCCF)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485055148 1191628612 /nfs/dbraw/zinc/62/86/12/1191628612.db2.gz IXIPIFTZYVOVGT-MRXNPFEDSA-N 2 2 336.455 2.044 10 0 EEAELP COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001485061856 1191639575 /nfs/dbraw/zinc/63/95/75/1191639575.db2.gz CRDJSWIOPIHCKP-SJORKVTESA-N 2 2 336.480 2.040 10 0 EEAELP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001485061856 1191639577 /nfs/dbraw/zinc/63/95/77/1191639577.db2.gz CRDJSWIOPIHCKP-SJORKVTESA-N 2 2 336.480 2.040 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+]CC=C(Cl)Cl)C1 ZINC001485109214 1191657250 /nfs/dbraw/zinc/65/72/50/1191657250.db2.gz PNWOVXNGYQVTRW-UHFFFAOYSA-N 2 2 331.247 2.064 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485157470 1191673336 /nfs/dbraw/zinc/67/33/36/1191673336.db2.gz SRAGHUOMXKLRTA-NWDGAFQWSA-N 2 2 335.839 2.074 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485157470 1191673337 /nfs/dbraw/zinc/67/33/37/1191673337.db2.gz SRAGHUOMXKLRTA-NWDGAFQWSA-N 2 2 335.839 2.074 10 0 EEAELP C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)[C@@H](C)[NH2+]Cc1cscn1 ZINC001485232516 1191700273 /nfs/dbraw/zinc/70/02/73/1191700273.db2.gz UBTPAXFVAAFAPK-HUUCEWRRSA-N 2 2 346.500 2.258 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)[C@@H](C)[NH2+]Cc1cscn1 ZINC001485232516 1191700275 /nfs/dbraw/zinc/70/02/75/1191700275.db2.gz UBTPAXFVAAFAPK-HUUCEWRRSA-N 2 2 346.500 2.258 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001485234528 1191701086 /nfs/dbraw/zinc/70/10/86/1191701086.db2.gz LSHOILQSVIIJOE-IAGOWNOFSA-N 2 2 328.460 2.307 10 0 EEAELP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCF ZINC001485434211 1191783562 /nfs/dbraw/zinc/78/35/62/1191783562.db2.gz KHWOOHMHMQKOJT-DOTOQJQBSA-N 2 2 338.471 2.268 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)c(C)o1 ZINC001486509946 1194026750 /nfs/dbraw/zinc/02/67/50/1194026750.db2.gz XWYCRGSCTLPHSG-SFHVURJKSA-N 2 2 348.491 2.126 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)c(C)o1 ZINC001486509946 1194026755 /nfs/dbraw/zinc/02/67/55/1194026755.db2.gz XWYCRGSCTLPHSG-SFHVURJKSA-N 2 2 348.491 2.126 10 0 EEAELP COCCC[NH2+][C@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001691667328 1194318487 /nfs/dbraw/zinc/31/84/87/1194318487.db2.gz PTAXSIZCSSCNDS-CQSZACIVSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl ZINC001273066244 1194364913 /nfs/dbraw/zinc/36/49/13/1194364913.db2.gz BPGNKJCCPLMQDB-OLZOCXBDSA-N 2 2 349.866 2.321 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccncc1Cl ZINC001273066244 1194364917 /nfs/dbraw/zinc/36/49/17/1194364917.db2.gz BPGNKJCCPLMQDB-OLZOCXBDSA-N 2 2 349.866 2.321 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]Cc1ccccc1N(C)C ZINC001273151987 1197082893 /nfs/dbraw/zinc/08/28/93/1197082893.db2.gz UDZABGHBCRWADC-CQSZACIVSA-N 2 2 343.475 2.011 10 0 EEAELP CC1(C)C[N@H+](CC[C@@H]2CCCCO2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001410038997 1197505230 /nfs/dbraw/zinc/50/52/30/1197505230.db2.gz OGXMDLRVLMBCJA-IRXDYDNUSA-N 2 2 348.491 2.059 10 0 EEAELP CC1(C)C[N@@H+](CC[C@@H]2CCCCO2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001410038997 1197505235 /nfs/dbraw/zinc/50/52/35/1197505235.db2.gz OGXMDLRVLMBCJA-IRXDYDNUSA-N 2 2 348.491 2.059 10 0 EEAELP CC1(C)[C@H]([NH3+])C[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000871783265 1197900598 /nfs/dbraw/zinc/90/05/98/1197900598.db2.gz PIUHHJKHBXGLSC-JKSUJKDBSA-N 2 2 342.443 2.410 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H]2C)co1 ZINC001410919231 1198583140 /nfs/dbraw/zinc/58/31/40/1198583140.db2.gz GDSIRWVJHBHXFN-MAUKXSAKSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@@H]2C)co1 ZINC001410919231 1198583142 /nfs/dbraw/zinc/58/31/42/1198583142.db2.gz GDSIRWVJHBHXFN-MAUKXSAKSA-N 2 2 348.491 2.328 10 0 EEAELP COCC[C@H](COC)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000810257261 1199380069 /nfs/dbraw/zinc/38/00/69/1199380069.db2.gz OSCJDBXKLRWQGM-QGZVFWFLSA-N 2 2 335.492 2.363 10 0 EEAELP C[N@H+](CC(=O)O[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000125904535 1199604134 /nfs/dbraw/zinc/60/41/34/1199604134.db2.gz QFTFMHIYRRVCGE-SJORKVTESA-N 2 2 334.485 2.241 10 0 EEAELP C[N@@H+](CC(=O)O[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000125904535 1199604136 /nfs/dbraw/zinc/60/41/36/1199604136.db2.gz QFTFMHIYRRVCGE-SJORKVTESA-N 2 2 334.485 2.241 10 0 EEAELP C[NH+](CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000125904535 1199604140 /nfs/dbraw/zinc/60/41/40/1199604140.db2.gz QFTFMHIYRRVCGE-SJORKVTESA-N 2 2 334.485 2.241 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000866449185 1201520087 /nfs/dbraw/zinc/52/00/87/1201520087.db2.gz ZFEQABVPRGKRQD-LNIMVLAXSA-N 2 2 327.472 2.305 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000866449185 1201520091 /nfs/dbraw/zinc/52/00/91/1201520091.db2.gz ZFEQABVPRGKRQD-LNIMVLAXSA-N 2 2 327.472 2.305 10 0 EEAELP O=C(NC/C=C/C[NH2+]CCc1cccs1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001274105434 1204372465 /nfs/dbraw/zinc/37/24/65/1204372465.db2.gz JICCVMREUJEOEP-RIVGAVQESA-N 2 2 330.457 2.079 10 0 EEAELP O=C(NC/C=C/C[NH2+]CCc1cccs1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001274105434 1204372466 /nfs/dbraw/zinc/37/24/66/1204372466.db2.gz JICCVMREUJEOEP-RIVGAVQESA-N 2 2 330.457 2.079 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001274445261 1205040326 /nfs/dbraw/zinc/04/03/26/1205040326.db2.gz HALNVTFUBXUHRI-INIZCTEOSA-N 2 2 344.459 2.201 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001274445261 1205040329 /nfs/dbraw/zinc/04/03/29/1205040329.db2.gz HALNVTFUBXUHRI-INIZCTEOSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1F ZINC001274536914 1205071390 /nfs/dbraw/zinc/07/13/90/1205071390.db2.gz YHYMJKJNWKWGAS-CFHLNLSMSA-N 2 2 330.407 2.423 10 0 EEAELP CC[N@H+](CCCOC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001274950723 1205216575 /nfs/dbraw/zinc/21/65/75/1205216575.db2.gz UUHCWJRIQVKOBP-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP CC[N@@H+](CCCOC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001274950723 1205216580 /nfs/dbraw/zinc/21/65/80/1205216580.db2.gz UUHCWJRIQVKOBP-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP CC[N@H+](CCCOC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001274950723 1205216582 /nfs/dbraw/zinc/21/65/82/1205216582.db2.gz UUHCWJRIQVKOBP-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP CC[N@@H+](CCCOC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001274950723 1205216584 /nfs/dbraw/zinc/21/65/84/1205216584.db2.gz UUHCWJRIQVKOBP-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1cccc(Cl)n1)NC(=O)CCCn1cc[nH+]c1 ZINC001275727877 1205501017 /nfs/dbraw/zinc/50/10/17/1205501017.db2.gz AEBWTHDHVUPLHH-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1cccc(Cl)n1)NC(=O)CCCn1cc[nH+]c1 ZINC001275727877 1205501019 /nfs/dbraw/zinc/50/10/19/1205501019.db2.gz AEBWTHDHVUPLHH-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccnnc1 ZINC000925117177 1206071519 /nfs/dbraw/zinc/07/15/19/1206071519.db2.gz NTTZBEXOGLLFLP-ZYSHUDEJSA-N 2 2 326.444 2.010 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccnnc1 ZINC000925117177 1206071522 /nfs/dbraw/zinc/07/15/22/1206071522.db2.gz NTTZBEXOGLLFLP-ZYSHUDEJSA-N 2 2 326.444 2.010 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000925906457 1206166399 /nfs/dbraw/zinc/16/63/99/1206166399.db2.gz CSVBHSSRDLDIGW-KRWDZBQOSA-N 2 2 344.463 2.003 10 0 EEAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000926125650 1206195594 /nfs/dbraw/zinc/19/55/94/1206195594.db2.gz MSJCYSOENMHJRP-RDTXWAMCSA-N 2 2 343.475 2.024 10 0 EEAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000926125650 1206195595 /nfs/dbraw/zinc/19/55/95/1206195595.db2.gz MSJCYSOENMHJRP-RDTXWAMCSA-N 2 2 343.475 2.024 10 0 EEAELP COc1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc2ccccc21 ZINC000926221289 1206205482 /nfs/dbraw/zinc/20/54/82/1206205482.db2.gz FPHIMXIOQQOYLY-UHFFFAOYSA-N 2 2 342.443 2.393 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000930127522 1206536012 /nfs/dbraw/zinc/53/60/12/1206536012.db2.gz WMQXIYOLQZSHPK-MRXNPFEDSA-N 2 2 328.416 2.126 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000930127522 1206536014 /nfs/dbraw/zinc/53/60/14/1206536014.db2.gz WMQXIYOLQZSHPK-MRXNPFEDSA-N 2 2 328.416 2.126 10 0 EEAELP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000930905055 1206591170 /nfs/dbraw/zinc/59/11/70/1206591170.db2.gz YVUCSMBBPZTSIF-INIZCTEOSA-N 2 2 330.831 2.246 10 0 EEAELP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000930905055 1206591171 /nfs/dbraw/zinc/59/11/71/1206591171.db2.gz YVUCSMBBPZTSIF-INIZCTEOSA-N 2 2 330.831 2.246 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@]2(C)C1 ZINC000931313895 1206624120 /nfs/dbraw/zinc/62/41/20/1206624120.db2.gz IALHDVCPIXYCSF-TXEJJXNPSA-N 2 2 330.341 2.474 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@]2(C)C1 ZINC000931313895 1206624122 /nfs/dbraw/zinc/62/41/22/1206624122.db2.gz IALHDVCPIXYCSF-TXEJJXNPSA-N 2 2 330.341 2.474 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+](CCOCC(F)(F)C(F)(F)F)C[C@]2(C)C1 ZINC000931313895 1206624123 /nfs/dbraw/zinc/62/41/23/1206624123.db2.gz IALHDVCPIXYCSF-TXEJJXNPSA-N 2 2 330.341 2.474 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+](CCOCC(F)(F)C(F)(F)F)C[C@]2(C)C1 ZINC000931313895 1206624125 /nfs/dbraw/zinc/62/41/25/1206624125.db2.gz IALHDVCPIXYCSF-TXEJJXNPSA-N 2 2 330.341 2.474 10 0 EEAELP CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001413056009 1225564733 /nfs/dbraw/zinc/56/47/33/1225564733.db2.gz FJMXFTIHHQVVSF-MRXNPFEDSA-N 2 2 327.432 2.074 10 0 EEAELP CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001413056009 1225564738 /nfs/dbraw/zinc/56/47/38/1225564738.db2.gz FJMXFTIHHQVVSF-MRXNPFEDSA-N 2 2 327.432 2.074 10 0 EEAELP CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC001413016275 1216565797 /nfs/dbraw/zinc/56/57/97/1216565797.db2.gz KGRBCJQNXZMCEK-HNNXBMFYSA-N 2 2 328.416 2.456 10 0 EEAELP CC[N@H+]1CC[C@H]1C(=O)Nc1ccc2oc(C[NH+]3CCCC3)nc2c1 ZINC001413016275 1216565803 /nfs/dbraw/zinc/56/58/03/1216565803.db2.gz KGRBCJQNXZMCEK-HNNXBMFYSA-N 2 2 328.416 2.456 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)s1 ZINC000902776673 1238499308 /nfs/dbraw/zinc/49/93/08/1238499308.db2.gz MLROXOPBZFRRPA-SNVBAGLBSA-N 2 2 335.395 2.192 10 0 EEAELP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)[nH+]c2)C1 ZINC000902921496 1239098408 /nfs/dbraw/zinc/09/84/08/1239098408.db2.gz WCSSSXNBGQYNGX-LXJANLPBSA-N 2 2 342.487 2.447 10 0 EEAELP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001491492084 1259142376 /nfs/dbraw/zinc/14/23/76/1259142376.db2.gz UZCZVBOBRDNURM-WMZOPIPTSA-N 2 2 343.475 2.468 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001491540371 1259193083 /nfs/dbraw/zinc/19/30/83/1259193083.db2.gz SYKUWBYVINEHPI-CYBMUJFWSA-N 2 2 339.399 2.077 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001273476300 1278574678 /nfs/dbraw/zinc/57/46/78/1278574678.db2.gz JHZUJWXGZWARPV-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001273476300 1278574686 /nfs/dbraw/zinc/57/46/86/1278574686.db2.gz JHZUJWXGZWARPV-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP C[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632655 1286219916 /nfs/dbraw/zinc/21/99/16/1286219916.db2.gz CJUUQXJLGWPPAA-SJORKVTESA-N 2 2 333.451 2.247 10 0 EEAELP C[N@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632655 1286219923 /nfs/dbraw/zinc/21/99/23/1286219923.db2.gz CJUUQXJLGWPPAA-SJORKVTESA-N 2 2 333.451 2.247 10 0 EEAELP C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632655 1286219928 /nfs/dbraw/zinc/21/99/28/1286219928.db2.gz CJUUQXJLGWPPAA-SJORKVTESA-N 2 2 333.451 2.247 10 0 EEAELP C[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632655 1286219935 /nfs/dbraw/zinc/21/99/35/1286219935.db2.gz CJUUQXJLGWPPAA-SJORKVTESA-N 2 2 333.451 2.247 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1Cc1cccc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001488690984 1290133059 /nfs/dbraw/zinc/13/30/59/1290133059.db2.gz GWLLMNNMVQJHRQ-KRWDZBQOSA-N 2 2 335.879 2.469 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1Cc1cccc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001488690984 1290133065 /nfs/dbraw/zinc/13/30/65/1290133065.db2.gz GWLLMNNMVQJHRQ-KRWDZBQOSA-N 2 2 335.879 2.469 10 0 EEAELP CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C(F)(F)F ZINC001489097100 1290368431 /nfs/dbraw/zinc/36/84/31/1290368431.db2.gz SSARFCHIODNKJV-JSGCOSHPSA-N 2 2 346.397 2.369 10 0 EEAELP CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001489097100 1290368444 /nfs/dbraw/zinc/36/84/44/1290368444.db2.gz SSARFCHIODNKJV-JSGCOSHPSA-N 2 2 346.397 2.369 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001490666433 1291549238 /nfs/dbraw/zinc/54/92/38/1291549238.db2.gz DCRVUYACQFZZAS-RHSMWYFYSA-N 2 2 332.492 2.292 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H](CNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001490721903 1291606093 /nfs/dbraw/zinc/60/60/93/1291606093.db2.gz IASFCYWUVMOGKZ-MRXNPFEDSA-N 2 2 330.407 2.084 10 0 EEAELP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000851803577 1291847185 /nfs/dbraw/zinc/84/71/85/1291847185.db2.gz SFLZCBJHCWILKS-ZDUSSCGKSA-N 2 2 331.353 2.174 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(C)cn3)C2)ccn1 ZINC000856587529 1293575045 /nfs/dbraw/zinc/57/50/45/1293575045.db2.gz ZECDQXNLQUTCIF-SFHVURJKSA-N 2 2 341.459 2.285 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(C)cn3)C2)ccn1 ZINC000856587529 1293575050 /nfs/dbraw/zinc/57/50/50/1293575050.db2.gz ZECDQXNLQUTCIF-SFHVURJKSA-N 2 2 341.459 2.285 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncc(C)cn3)C2)ccn1 ZINC000856587529 1293575053 /nfs/dbraw/zinc/57/50/53/1293575053.db2.gz ZECDQXNLQUTCIF-SFHVURJKSA-N 2 2 341.459 2.285 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncc(C)cn3)C2)ccn1 ZINC000856587529 1293575055 /nfs/dbraw/zinc/57/50/55/1293575055.db2.gz ZECDQXNLQUTCIF-SFHVURJKSA-N 2 2 341.459 2.285 10 0 EEAELP Cn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(Cl)n1 ZINC000857013895 1293698362 /nfs/dbraw/zinc/69/83/62/1293698362.db2.gz FBCDJKRVHPUCLV-UHFFFAOYSA-N 2 2 326.872 2.008 10 0 EEAELP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C[NH+](C)C ZINC000926965720 1296972657 /nfs/dbraw/zinc/97/26/57/1296972657.db2.gz SWGHSDTZPHSTCO-YOEHRIQHSA-N 2 2 335.448 2.261 10 0 EEAELP Cc1cc(C[NH2+]C2(CNC(=O)c3cc4c[nH+]ccc4[nH]3)CC2)sn1 ZINC001277094499 1301240213 /nfs/dbraw/zinc/24/02/13/1301240213.db2.gz XIECCYZNNCFVHB-UHFFFAOYSA-N 2 2 341.440 2.380 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001319947021 1332800553 /nfs/dbraw/zinc/80/05/53/1332800553.db2.gz KCPAUHQOWXHRBB-DGCLKSJQSA-N 2 2 347.290 2.267 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001278300142 1309148386 /nfs/dbraw/zinc/14/83/86/1309148386.db2.gz FUCVJKSHGFHIHA-APWZRJJASA-N 2 2 340.471 2.472 10 0 EEAELP CCOCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001278342013 1309616209 /nfs/dbraw/zinc/61/62/09/1309616209.db2.gz PKNWEGFDAVJJNL-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP CCOCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001278342013 1309616211 /nfs/dbraw/zinc/61/62/11/1309616211.db2.gz PKNWEGFDAVJJNL-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001278392089 1310008270 /nfs/dbraw/zinc/00/82/70/1310008270.db2.gz RWOWOVAHRUIGKQ-DOTOQJQBSA-N 2 2 342.443 2.101 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)C[N@H+](Cc2ccccc2)C1 ZINC000843420135 1315912039 /nfs/dbraw/zinc/91/20/39/1315912039.db2.gz MYQIIEMTSQYDQJ-SJLPKXTDSA-N 2 2 327.476 2.248 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000843420135 1315912042 /nfs/dbraw/zinc/91/20/42/1315912042.db2.gz MYQIIEMTSQYDQJ-SJLPKXTDSA-N 2 2 327.476 2.248 10 0 EEAELP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001264749413 1322802923 /nfs/dbraw/zinc/80/29/23/1322802923.db2.gz COVKWPUGJLJOTB-UHFFFAOYSA-N 2 2 347.488 2.192 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001265615913 1323269333 /nfs/dbraw/zinc/26/93/33/1323269333.db2.gz RARXRRZPCGJKEC-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226985 1323800513 /nfs/dbraw/zinc/80/05/13/1323800513.db2.gz KQMJDODOJRFYOT-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226985 1323800522 /nfs/dbraw/zinc/80/05/22/1323800522.db2.gz KQMJDODOJRFYOT-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N(CC[NH2+]CC1CCC1)Cc1ccccc1 ZINC001279318856 1323873286 /nfs/dbraw/zinc/87/32/86/1323873286.db2.gz RQJYVBYJBGVBKE-UHFFFAOYSA-N 2 2 326.444 2.371 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001280444860 1324230359 /nfs/dbraw/zinc/23/03/59/1324230359.db2.gz GJOUFFAAJGESKE-IJVDHGTGSA-N 2 2 337.851 2.356 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001281458156 1325122583 /nfs/dbraw/zinc/12/25/83/1325122583.db2.gz SVJMZMZYBRNTEJ-RYUDHWBXSA-N 2 2 332.370 2.121 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCCCCF ZINC001281685801 1325400985 /nfs/dbraw/zinc/40/09/85/1325400985.db2.gz MGPXYZNFXUFMRD-HZPDHXFCSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCCCCF ZINC001281685801 1325400993 /nfs/dbraw/zinc/40/09/93/1325400993.db2.gz 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ZINC001677607041 1357371658 /nfs/dbraw/zinc/37/16/58/1357371658.db2.gz FDANGOPPNCGJKG-IBGZPJMESA-N 2 2 336.439 2.388 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@H+]([C@H]2CCc3ccccc32)CC1 ZINC001677607041 1357371662 /nfs/dbraw/zinc/37/16/62/1357371662.db2.gz FDANGOPPNCGJKG-IBGZPJMESA-N 2 2 336.439 2.388 10 0 EEAELP CC(C)OCC[NH2+]C1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001649459731 1353517226 /nfs/dbraw/zinc/51/72/26/1353517226.db2.gz BPRCIFAMBIMSKY-INIZCTEOSA-N 2 2 336.480 2.230 10 0 EEAELP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)[C@@H]2C1 ZINC001650603882 1354017556 /nfs/dbraw/zinc/01/75/56/1354017556.db2.gz AAPHGOLBXQMCLQ-MLHJIOFPSA-N 2 2 338.455 2.388 10 0 EEAELP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)[C@@H]2C1 ZINC001650603882 1354017560 /nfs/dbraw/zinc/01/75/60/1354017560.db2.gz AAPHGOLBXQMCLQ-MLHJIOFPSA-N 2 2 338.455 2.388 10 0 EEAELP Cn1c[nH+]cc1CC[NH+]1CCC(n2cnc3ccccc3c2=O)CC1 ZINC001656558523 1354247824 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PFPGDFJNDXHKEW-LBPRGKRZSA-N 2 2 345.365 2.023 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001662646237 1354818769 /nfs/dbraw/zinc/81/87/69/1354818769.db2.gz PFPGDFJNDXHKEW-GFCCVEGCSA-N 2 2 345.365 2.023 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001662664508 1354821789 /nfs/dbraw/zinc/82/17/89/1354821789.db2.gz APDBLUZMQPIJLC-LBPRGKRZSA-N 2 2 345.274 2.110 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CCCc2cccc(F)c2)C1 ZINC001662691805 1354827220 /nfs/dbraw/zinc/82/72/20/1354827220.db2.gz YBLIGXLFIJFLFE-MRXNPFEDSA-N 2 2 344.434 2.162 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001663603096 1354997204 /nfs/dbraw/zinc/99/72/04/1354997204.db2.gz HXIOPLSAUWEZOH-INIZCTEOSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001663603096 1354997206 /nfs/dbraw/zinc/99/72/06/1354997206.db2.gz HXIOPLSAUWEZOH-INIZCTEOSA-N 2 2 344.459 2.201 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001664267814 1355125644 /nfs/dbraw/zinc/12/56/44/1355125644.db2.gz ANQVMZSUJKPCPS-UHFFFAOYSA-N 2 2 340.349 2.219 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC001666214377 1355485959 /nfs/dbraw/zinc/48/59/59/1355485959.db2.gz ISRREBWYYVPRPI-UHFFFAOYSA-N 2 2 347.488 2.217 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC001666214377 1355485962 /nfs/dbraw/zinc/48/59/62/1355485962.db2.gz ISRREBWYYVPRPI-UHFFFAOYSA-N 2 2 347.488 2.217 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC(CC[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001666266162 1355499697 /nfs/dbraw/zinc/49/96/97/1355499697.db2.gz GBTLSFBKVKFKJY-NTEUORMPSA-N 2 2 345.274 2.420 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]Cc3ccccn3)ccn12 ZINC001668062008 1355860042 /nfs/dbraw/zinc/86/00/42/1355860042.db2.gz YVNWEOBNSMGDSM-AWEZNQCLSA-N 2 2 337.427 2.336 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001668865178 1356027869 /nfs/dbraw/zinc/02/78/69/1356027869.db2.gz RNJIAVSYXGOXIM-LAQIPUCWSA-N 2 2 346.475 2.152 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001668865178 1356027877 /nfs/dbraw/zinc/02/78/77/1356027877.db2.gz RNJIAVSYXGOXIM-LAQIPUCWSA-N 2 2 346.475 2.152 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001668888089 1356037250 /nfs/dbraw/zinc/03/72/50/1356037250.db2.gz SXYJLGHCNROURC-XHPSBEMXSA-N 2 2 348.491 2.218 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001668888089 1356037253 /nfs/dbraw/zinc/03/72/53/1356037253.db2.gz SXYJLGHCNROURC-XHPSBEMXSA-N 2 2 348.491 2.218 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001669039939 1356074866 /nfs/dbraw/zinc/07/48/66/1356074866.db2.gz RMUJSLPNMJVWFC-LLYBFZRZSA-N 2 2 348.491 2.076 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001669039939 1356074869 /nfs/dbraw/zinc/07/48/69/1356074869.db2.gz RMUJSLPNMJVWFC-LLYBFZRZSA-N 2 2 348.491 2.076 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)s1 ZINC001669140251 1356105365 /nfs/dbraw/zinc/10/53/65/1356105365.db2.gz XQONTDMIFUYODB-NSCUHMNNSA-N 2 2 338.864 2.140 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC001671698778 1356398297 /nfs/dbraw/zinc/39/82/97/1356398297.db2.gz HINURLSEFBTNOR-FQEVSTJZSA-N 2 2 349.438 2.212 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC001671698778 1356398302 /nfs/dbraw/zinc/39/83/02/1356398302.db2.gz HINURLSEFBTNOR-FQEVSTJZSA-N 2 2 349.438 2.212 10 0 EEAELP C[C@@H]([NH2+]CCCc1ccsc1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001672235913 1356486232 /nfs/dbraw/zinc/48/62/32/1356486232.db2.gz YODRMRSBBIJKOW-ZBFHGGJFSA-N 2 2 346.500 2.473 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001672514620 1356540529 /nfs/dbraw/zinc/54/05/29/1356540529.db2.gz FPFXRHDHRGUXCS-VLPTVUGRSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001672514620 1356540532 /nfs/dbraw/zinc/54/05/32/1356540532.db2.gz FPFXRHDHRGUXCS-VLPTVUGRSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001672514620 1356540535 /nfs/dbraw/zinc/54/05/35/1356540535.db2.gz FPFXRHDHRGUXCS-VLPTVUGRSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001672514620 1356540537 /nfs/dbraw/zinc/54/05/37/1356540537.db2.gz FPFXRHDHRGUXCS-VLPTVUGRSA-N 2 2 349.519 2.129 10 0 EEAELP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001675916534 1357069231 /nfs/dbraw/zinc/06/92/31/1357069231.db2.gz YCHWLGLLSRVKHK-KBRIMQKVSA-N 2 2 341.459 2.291 10 0 EEAELP Cc1ncccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001675916534 1357069237 /nfs/dbraw/zinc/06/92/37/1357069237.db2.gz YCHWLGLLSRVKHK-KBRIMQKVSA-N 2 2 341.459 2.291 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCC[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)s1 ZINC001675979442 1357080943 /nfs/dbraw/zinc/08/09/43/1357080943.db2.gz HZDGUYGPRRXSSE-NSHDSACASA-N 2 2 335.477 2.100 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CC[C@@H]1CCCCO1 ZINC001698756800 1405046037 /nfs/dbraw/zinc/04/60/37/1405046037.db2.gz PDNMKRAXAVYBEY-CVEARBPZSA-N 2 2 344.459 2.249 10 0 EEAELP CCCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001698899207 1405140064 /nfs/dbraw/zinc/14/00/64/1405140064.db2.gz UBEZRCNWRKKLGE-NVXWUHKLSA-N 2 2 332.492 2.389 10 0 EEAELP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)C2=O)c(C)c1 ZINC000817923324 785076442 /nfs/dbraw/zinc/07/64/42/785076442.db2.gz IHTUALZDRFYGJY-KURKYZTESA-N 2 2 345.487 2.074 10 0 EEAELP C/C(=C\C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)C[NH+]1CCOCC1 ZINC000908490629 785449166 /nfs/dbraw/zinc/44/91/66/785449166.db2.gz NQYRGMQFNRNZRP-BMRADRMJSA-N 2 2 349.519 2.036 10 0 EEAELP C[NH2+]C1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000923287494 789315297 /nfs/dbraw/zinc/31/52/97/789315297.db2.gz PDFOBEAYQDJMDA-ZDUSSCGKSA-N 2 2 332.366 2.129 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N(CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923323524 789381965 /nfs/dbraw/zinc/38/19/65/789381965.db2.gz HRANZOPKEJAQQA-SFHVURJKSA-N 2 2 331.504 2.351 10 0 EEAELP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716703101 796444012 /nfs/dbraw/zinc/44/40/12/796444012.db2.gz XNRUCMLICFQQCQ-RFZNHBKKSA-N 2 2 348.512 2.062 10 0 EEAELP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703101 796444016 /nfs/dbraw/zinc/44/40/16/796444016.db2.gz XNRUCMLICFQQCQ-RFZNHBKKSA-N 2 2 348.512 2.062 10 0 EEAELP CCO[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C[NH+](C)C ZINC000922755200 801822103 /nfs/dbraw/zinc/82/21/03/801822103.db2.gz YDFCTJPUUJURGR-QGZVFWFLSA-N 2 2 334.439 2.283 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1 ZINC001566044002 1125523163 /nfs/dbraw/zinc/52/31/63/1125523163.db2.gz DNTCCMOGMAMGLU-CVEARBPZSA-N 2 2 336.455 2.262 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1 ZINC001566044002 1125523165 /nfs/dbraw/zinc/52/31/65/1125523165.db2.gz DNTCCMOGMAMGLU-CVEARBPZSA-N 2 2 336.455 2.262 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1 ZINC001566044002 1125523169 /nfs/dbraw/zinc/52/31/69/1125523169.db2.gz DNTCCMOGMAMGLU-CVEARBPZSA-N 2 2 336.455 2.262 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1 ZINC001566044002 1125523174 /nfs/dbraw/zinc/52/31/74/1125523174.db2.gz DNTCCMOGMAMGLU-CVEARBPZSA-N 2 2 336.455 2.262 10 0 EEAELP Cc1noc(C)c1C[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001566495867 1125663630 /nfs/dbraw/zinc/66/36/30/1125663630.db2.gz HVSBTZDHLWRKCL-UHFFFAOYSA-N 2 2 347.463 2.250 10 0 EEAELP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001566495867 1125663635 /nfs/dbraw/zinc/66/36/35/1125663635.db2.gz HVSBTZDHLWRKCL-UHFFFAOYSA-N 2 2 347.463 2.250 10 0 EEAELP 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1089572477 /nfs/dbraw/zinc/57/24/77/1089572477.db2.gz QKKMGXOKNQOCKD-WBVHZDCISA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CCOC2CCC2)C1 ZINC001437353467 1089572487 /nfs/dbraw/zinc/57/24/87/1089572487.db2.gz QKKMGXOKNQOCKD-WBVHZDCISA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CCOC2CCC2)C1 ZINC001437353467 1089572500 /nfs/dbraw/zinc/57/25/00/1089572500.db2.gz QKKMGXOKNQOCKD-WBVHZDCISA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CCOC2CCC2)C1 ZINC001437353467 1089572507 /nfs/dbraw/zinc/57/25/07/1089572507.db2.gz QKKMGXOKNQOCKD-WBVHZDCISA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cc(C2CC2)no1 ZINC001437378896 1089626199 /nfs/dbraw/zinc/62/61/99/1089626199.db2.gz LKPQGTNDNGTGHI-NILFDRSVSA-N 2 2 343.431 2.063 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]C/C(Cl)=C/Cl ZINC001437380192 1089627423 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EEAELP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC001438959302 1091651744 /nfs/dbraw/zinc/65/17/44/1091651744.db2.gz XEYQWLMZFASOLF-XJKSGUPXSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC001438959302 1091651750 /nfs/dbraw/zinc/65/17/50/1091651750.db2.gz XEYQWLMZFASOLF-XJKSGUPXSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001446132425 1092181374 /nfs/dbraw/zinc/18/13/74/1092181374.db2.gz VYFQODVWZUUNLW-KRWDZBQOSA-N 2 2 335.879 2.435 10 0 EEAELP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001446132425 1092181376 /nfs/dbraw/zinc/18/13/76/1092181376.db2.gz VYFQODVWZUUNLW-KRWDZBQOSA-N 2 2 335.879 2.435 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001439487951 1092303142 /nfs/dbraw/zinc/30/31/42/1092303142.db2.gz IVGPNYLRRFACSZ-WFASDCNBSA-N 2 2 340.418 2.180 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1([NH2+][C@H](C)c2c(F)cccc2F)CC1 ZINC001439627387 1092542411 /nfs/dbraw/zinc/54/24/11/1092542411.db2.gz IWZZHIFLULSTAC-CYBMUJFWSA-N 2 2 348.397 2.469 10 0 EEAELP COCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001446351230 1092564971 /nfs/dbraw/zinc/56/49/71/1092564971.db2.gz LHLUTTDGTFJHOA-MJGOQNOKSA-N 2 2 348.491 2.041 10 0 EEAELP COCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001446351230 1092564980 /nfs/dbraw/zinc/56/49/80/1092564980.db2.gz LHLUTTDGTFJHOA-MJGOQNOKSA-N 2 2 348.491 2.041 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@H](C[NH2+]Cc2cncs2)CC1 ZINC001440126754 1093189111 /nfs/dbraw/zinc/18/91/11/1093189111.db2.gz BUOGKQGHZOJQSX-HDJSIYSDSA-N 2 2 347.488 2.121 10 0 EEAELP CC[NH+]1CCC(N(Cc2ccccn2)C(=O)CCn2cc[nH+]c2)CC1 ZINC001440129326 1093193335 /nfs/dbraw/zinc/19/33/35/1093193335.db2.gz VSRAEZQKIOZPPH-UHFFFAOYSA-N 2 2 341.459 2.181 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1nc2ccccc2o1 ZINC001440254501 1093350716 /nfs/dbraw/zinc/35/07/16/1093350716.db2.gz QNPXGLBSUYVZEK-HNNXBMFYSA-N 2 2 344.459 2.202 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1Cc1nc2ccccc2o1 ZINC001440254501 1093350721 /nfs/dbraw/zinc/35/07/21/1093350721.db2.gz QNPXGLBSUYVZEK-HNNXBMFYSA-N 2 2 344.459 2.202 10 0 EEAELP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001440254501 1093350726 /nfs/dbraw/zinc/35/07/26/1093350726.db2.gz QNPXGLBSUYVZEK-HNNXBMFYSA-N 2 2 344.459 2.202 10 0 EEAELP CC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001440254501 1093350733 /nfs/dbraw/zinc/35/07/33/1093350733.db2.gz QNPXGLBSUYVZEK-HNNXBMFYSA-N 2 2 344.459 2.202 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)c1ccccc1Cl ZINC001440374204 1093542246 /nfs/dbraw/zinc/54/22/46/1093542246.db2.gz KROYEMZQKKOLRC-CZUORRHYSA-N 2 2 341.858 2.493 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccccc1Cl ZINC001440374204 1093542255 /nfs/dbraw/zinc/54/22/55/1093542255.db2.gz KROYEMZQKKOLRC-CZUORRHYSA-N 2 2 341.858 2.493 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001448604252 1093669679 /nfs/dbraw/zinc/66/96/79/1093669679.db2.gz MIPLRGKXPCWXSH-KSSFIOAISA-N 2 2 341.459 2.010 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cscn2)CC1(C)C)[NH+](C)C ZINC001440630675 1093901155 /nfs/dbraw/zinc/90/11/55/1093901155.db2.gz SEHZIBXZIAATMU-CABCVRRESA-N 2 2 338.521 2.200 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cscn2)CC1(C)C)[NH+](C)C ZINC001440630675 1093901160 /nfs/dbraw/zinc/90/11/60/1093901160.db2.gz SEHZIBXZIAATMU-CABCVRRESA-N 2 2 338.521 2.200 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc2cnc(C)s2)c[nH+]1 ZINC001440661194 1093930468 /nfs/dbraw/zinc/93/04/68/1093930468.db2.gz NPXKKNPRQDPQPK-LBPRGKRZSA-N 2 2 349.504 2.376 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001449068363 1094082983 /nfs/dbraw/zinc/08/29/83/1094082983.db2.gz VOQLMRRLDFMSOS-VWVDBLKVSA-N 2 2 331.247 2.077 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@H](O)C[NH2+]CC2CCCC2)c(C)[nH+]1 ZINC001449135673 1094125315 /nfs/dbraw/zinc/12/53/15/1094125315.db2.gz GQUVWHXFDABKDH-QGZVFWFLSA-N 2 2 333.476 2.220 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCc1cccs1 ZINC001440940903 1094193988 /nfs/dbraw/zinc/19/39/88/1094193988.db2.gz JDMHQXJMXQRWBB-GJZGRUSLSA-N 2 2 346.500 2.186 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCc1cccs1 ZINC001440940903 1094193989 /nfs/dbraw/zinc/19/39/89/1094193989.db2.gz JDMHQXJMXQRWBB-GJZGRUSLSA-N 2 2 346.500 2.186 10 0 EEAELP C[N@H+](C/C=C/Cl)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441300500 1094745924 /nfs/dbraw/zinc/74/59/24/1094745924.db2.gz JEULMWOAVPBZOJ-GPEQFZLPSA-N 2 2 336.867 2.436 10 0 EEAELP C[N@@H+](C/C=C/Cl)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441300500 1094745935 /nfs/dbraw/zinc/74/59/35/1094745935.db2.gz JEULMWOAVPBZOJ-GPEQFZLPSA-N 2 2 336.867 2.436 10 0 EEAELP CO[C@@H](C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001441360673 1094878621 /nfs/dbraw/zinc/87/86/21/1094878621.db2.gz KVZWBBPKWMVRNZ-HOTGVXAUSA-N 2 2 348.491 2.083 10 0 EEAELP CCc1noc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001441526123 1095232396 /nfs/dbraw/zinc/23/23/96/1095232396.db2.gz LDGHVEAQQKLQMN-AEGPPILISA-N 2 2 345.447 2.130 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001441576161 1095365745 /nfs/dbraw/zinc/36/57/45/1095365745.db2.gz BTEBILODJIHSML-ROUUACIJSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001441576161 1095365761 /nfs/dbraw/zinc/36/57/61/1095365761.db2.gz BTEBILODJIHSML-ROUUACIJSA-N 2 2 348.491 2.061 10 0 EEAELP CC(C)Oc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001441648302 1095598444 /nfs/dbraw/zinc/59/84/44/1095598444.db2.gz YVPQQUCJJBBSNL-MRXNPFEDSA-N 2 2 344.459 2.307 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001441849444 1095933612 /nfs/dbraw/zinc/93/36/12/1095933612.db2.gz HBZGCCPJGKCTHJ-UKRRQHHQSA-N 2 2 336.480 2.051 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001441849444 1095933617 /nfs/dbraw/zinc/93/36/17/1095933617.db2.gz HBZGCCPJGKCTHJ-UKRRQHHQSA-N 2 2 336.480 2.051 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCc2cccs2)CC1 ZINC001442206024 1096490791 /nfs/dbraw/zinc/49/07/91/1096490791.db2.gz WYMCNZYEJWOWJE-CQSZACIVSA-N 2 2 346.500 2.473 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442909704 1097316302 /nfs/dbraw/zinc/31/63/02/1097316302.db2.gz RWCGYXVILFWWIN-GJZGRUSLSA-N 2 2 330.407 2.222 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442909704 1097316308 /nfs/dbraw/zinc/31/63/08/1097316308.db2.gz RWCGYXVILFWWIN-GJZGRUSLSA-N 2 2 330.407 2.222 10 0 EEAELP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001443626053 1098121827 /nfs/dbraw/zinc/12/18/27/1098121827.db2.gz ARMCAHXBQJLSMN-MSOLQXFVSA-N 2 2 335.467 2.476 10 0 EEAELP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001443626053 1098121832 /nfs/dbraw/zinc/12/18/32/1098121832.db2.gz ARMCAHXBQJLSMN-MSOLQXFVSA-N 2 2 335.467 2.476 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](Cc2conc2C)C1 ZINC001443866065 1098391564 /nfs/dbraw/zinc/39/15/64/1098391564.db2.gz REPHNRJREGNHDN-PBHICJAKSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001443866065 1098391569 /nfs/dbraw/zinc/39/15/69/1098391569.db2.gz REPHNRJREGNHDN-PBHICJAKSA-N 2 2 345.447 2.254 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@@H+]1Cc1conc1C ZINC001479642388 1098671512 /nfs/dbraw/zinc/67/15/12/1098671512.db2.gz JTPHXXJMUVOKRJ-RRQGHBQHSA-N 2 2 345.447 2.300 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@H+]1Cc1conc1C ZINC001479642388 1098671516 /nfs/dbraw/zinc/67/15/16/1098671516.db2.gz JTPHXXJMUVOKRJ-RRQGHBQHSA-N 2 2 345.447 2.300 10 0 EEAELP C[C@@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675417 1098724273 /nfs/dbraw/zinc/72/42/73/1098724273.db2.gz OTSQYIPZQYKMCN-ZACQAIPSSA-N 2 2 336.455 2.192 10 0 EEAELP C[C@@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675417 1098724282 /nfs/dbraw/zinc/72/42/82/1098724282.db2.gz OTSQYIPZQYKMCN-ZACQAIPSSA-N 2 2 336.455 2.192 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)c(C)s1 ZINC001479729605 1098829427 /nfs/dbraw/zinc/82/94/27/1098829427.db2.gz CBAPTEFYFGUXBT-DOMZBBRYSA-N 2 2 338.521 2.179 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]2C)c(C)s1 ZINC001479729605 1098829432 /nfs/dbraw/zinc/82/94/32/1098829432.db2.gz CBAPTEFYFGUXBT-DOMZBBRYSA-N 2 2 338.521 2.179 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)c(C)s1 ZINC001479729605 1098829438 /nfs/dbraw/zinc/82/94/38/1098829438.db2.gz CBAPTEFYFGUXBT-DOMZBBRYSA-N 2 2 338.521 2.179 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)c(C)s1 ZINC001479729605 1098829441 /nfs/dbraw/zinc/82/94/41/1098829441.db2.gz CBAPTEFYFGUXBT-DOMZBBRYSA-N 2 2 338.521 2.179 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCCC2)C1 ZINC001444502129 1099232337 /nfs/dbraw/zinc/23/23/37/1099232337.db2.gz UKIYSOAOPKTZNV-MRXNPFEDSA-N 2 2 348.491 2.176 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCCC2)C1 ZINC001444502129 1099232345 /nfs/dbraw/zinc/23/23/45/1099232345.db2.gz UKIYSOAOPKTZNV-MRXNPFEDSA-N 2 2 348.491 2.176 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCc2c1c(F)ccc2F)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444689570 1099538498 /nfs/dbraw/zinc/53/84/98/1099538498.db2.gz JDRIZGHYSQPECU-IAQYHMDHSA-N 2 2 348.397 2.354 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001480488989 1100298447 /nfs/dbraw/zinc/29/84/47/1100298447.db2.gz CSNILBVDWNCVTG-GXTWGEPZSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC001480503266 1100324447 /nfs/dbraw/zinc/32/44/47/1100324447.db2.gz RJUAQUWNBXSMRZ-TZMCWYRMSA-N 2 2 341.415 2.188 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)no1 ZINC001496247954 1100817821 /nfs/dbraw/zinc/81/78/21/1100817821.db2.gz IZLFUOBPHYKJMR-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496278301 1100860705 /nfs/dbraw/zinc/86/07/05/1100860705.db2.gz HTWAXRDBRNWUGA-STJXIEADSA-N 2 2 338.883 2.319 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CCc2cccs2)CCCC1 ZINC001495203852 1100885055 /nfs/dbraw/zinc/88/50/55/1100885055.db2.gz OKZZLHHLUOBIEN-UHFFFAOYSA-N 2 2 346.500 2.285 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001446544964 1101009940 /nfs/dbraw/zinc/00/99/40/1101009940.db2.gz CBGZMZFOPVUCKH-UYAOXDASSA-N 2 2 338.455 2.231 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001446544964 1101009945 /nfs/dbraw/zinc/00/99/45/1101009945.db2.gz 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ZINC001502005785 1113555327 /nfs/dbraw/zinc/55/53/27/1113555327.db2.gz VPLWPSZUNGFQOO-CYBMUJFWSA-N 2 2 347.488 2.428 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)on1 ZINC001502136740 1113610166 /nfs/dbraw/zinc/61/01/66/1113610166.db2.gz ABZILEJIDLDPSA-HOTGVXAUSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)on1 ZINC001502136740 1113610168 /nfs/dbraw/zinc/61/01/68/1113610168.db2.gz ABZILEJIDLDPSA-HOTGVXAUSA-N 2 2 345.447 2.302 10 0 EEAELP CO[C@@H](C)C[NH2+]CCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001506924956 1114977933 /nfs/dbraw/zinc/97/79/33/1114977933.db2.gz ZNNKLAXHASQRNT-ZFWWWQNUSA-N 2 2 332.448 2.166 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001507326876 1115194154 /nfs/dbraw/zinc/19/41/54/1115194154.db2.gz NSUIXTDZYUKCOW-RDTXWAMCSA-N 2 2 344.434 2.303 10 0 EEAELP COCCC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001507430785 1115264931 /nfs/dbraw/zinc/26/49/31/1115264931.db2.gz FTWUKQLZFWTFKZ-INIZCTEOSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C2CC([NH2+]CCOC3CCC3)C2)c[nH+]1 ZINC001508119742 1115423024 /nfs/dbraw/zinc/42/30/24/1115423024.db2.gz RQHWKOAZPRNZKJ-UHFFFAOYSA-N 2 2 348.491 2.075 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH2+]CCCC1CCC1 ZINC001568179530 1124342865 /nfs/dbraw/zinc/34/28/65/1124342865.db2.gz WMQQXQCTGCDPNT-NVXWUHKLSA-N 2 2 332.492 2.368 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001568197984 1124350392 /nfs/dbraw/zinc/35/03/92/1124350392.db2.gz DXVLTNPRGODBKO-HNNXBMFYSA-N 2 2 328.460 2.493 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001568515466 1124579888 /nfs/dbraw/zinc/57/98/88/1124579888.db2.gz LISXTJACEOYVIK-FUHWJXTLSA-N 2 2 348.491 2.000 10 0 EEAELP CCCCOCC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001568515466 1124579897 /nfs/dbraw/zinc/57/98/97/1124579897.db2.gz LISXTJACEOYVIK-FUHWJXTLSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001568535758 1124597646 /nfs/dbraw/zinc/59/76/46/1124597646.db2.gz GWQSSWSLHCPELC-PKOBYXMFSA-N 2 2 340.471 2.378 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001568639126 1124651690 /nfs/dbraw/zinc/65/16/90/1124651690.db2.gz KQTJVZOTPKSFBO-CQSZACIVSA-N 2 2 332.423 2.474 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001568639126 1124651695 /nfs/dbraw/zinc/65/16/95/1124651695.db2.gz KQTJVZOTPKSFBO-CQSZACIVSA-N 2 2 332.423 2.474 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1ccc(F)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC001568873459 1124898819 /nfs/dbraw/zinc/89/88/19/1124898819.db2.gz MWUKHEHDHWDSMJ-AIMAZDRCSA-N 2 2 342.418 2.047 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)Cc1c[nH+]cn1C ZINC001569030676 1125052203 /nfs/dbraw/zinc/05/22/03/1125052203.db2.gz ZZEMBEBESSFCPU-WBVHZDCISA-N 2 2 340.471 2.177 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CCc1[nH+]ccn1C ZINC001569071616 1125079350 /nfs/dbraw/zinc/07/93/50/1125079350.db2.gz RKRXKXGIFINFSE-AWEZNQCLSA-N 2 2 339.443 2.129 10 0 EEAELP CN(CCC[NH2+][C@H]1CCc2ccccc21)C(=O)Cc1c[nH+]cn1C ZINC001569257947 1125199496 /nfs/dbraw/zinc/19/94/96/1125199496.db2.gz NMRRCMRXHSMEQX-SFHVURJKSA-N 2 2 326.444 2.088 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183252671 539594571 /nfs/dbraw/zinc/59/45/71/539594571.db2.gz XHHYMSQDLBVEAP-UHFFFAOYSA-N 2 2 340.471 2.221 10 0 EEAELP Fc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422902342 282988444 /nfs/dbraw/zinc/98/84/44/282988444.db2.gz UIOHAWLDMYOKEW-CCKFTAQKSA-N 2 2 333.451 2.009 10 0 EEAELP CCNC(=O)C1(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCC1 ZINC000423082479 240355622 /nfs/dbraw/zinc/35/56/22/240355622.db2.gz WXFWHPFQUKFOOE-ZWKOTPCHSA-N 2 2 345.487 2.384 10 0 EEAELP CCc1ccc([C@@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)[NH+](C)C)cc1 ZINC000058296339 201141570 /nfs/dbraw/zinc/14/15/70/201141570.db2.gz MRFDXFKQHUZTGJ-SJLPKXTDSA-N 2 2 327.476 2.380 10 0 EEAELP CC[C@@H](C(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)[NH+](C)C ZINC000275543913 201282874 /nfs/dbraw/zinc/28/28/74/201282874.db2.gz GXCYSVGWVQXLRD-HOTGVXAUSA-N 2 2 346.475 2.002 10 0 EEAELP Fc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422737624 240202663 /nfs/dbraw/zinc/20/26/63/240202663.db2.gz ZYXJGGSOYHIKMX-HUUCEWRRSA-N 2 2 343.240 2.445 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422771424 240217261 /nfs/dbraw/zinc/21/72/61/240217261.db2.gz YDDRQCMKENYJDP-YSIASYRMSA-N 2 2 347.478 2.460 10 0 EEAELP Fc1ccccc1N1CCC[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423012578 240329423 /nfs/dbraw/zinc/32/94/23/240329423.db2.gz LAGBLHPZULCGRC-ZYSHUDEJSA-N 2 2 333.451 2.151 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@@H](O)COCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422971706 240313912 /nfs/dbraw/zinc/31/39/12/240313912.db2.gz JPCQFLUZWWGEGY-QRQLOZEOSA-N 2 2 336.476 2.111 10 0 EEAELP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422971736 240314426 /nfs/dbraw/zinc/31/44/26/240314426.db2.gz JSOYZZJGIPUIHG-HKUYNNGSSA-N 2 2 331.460 2.260 10 0 EEAELP CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000425339987 241132492 /nfs/dbraw/zinc/13/24/92/241132492.db2.gz DHTSWACYNSBBHE-ROUUACIJSA-N 2 2 336.501 2.381 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2[C@@H]3CCC[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000426054428 241207876 /nfs/dbraw/zinc/20/78/76/241207876.db2.gz IMMRTMDEAKDRIT-BJWYYQGGSA-N 2 2 334.508 2.034 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000449392135 242530186 /nfs/dbraw/zinc/53/01/86/242530186.db2.gz JBQPGTXFQQZHSJ-HNNXBMFYSA-N 2 2 332.423 2.152 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000449392135 242530188 /nfs/dbraw/zinc/53/01/88/242530188.db2.gz JBQPGTXFQQZHSJ-HNNXBMFYSA-N 2 2 332.423 2.152 10 0 EEAELP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129257154 205186405 /nfs/dbraw/zinc/18/64/05/205186405.db2.gz YIZNFPVEJQOIGE-OAHLLOKOSA-N 2 2 327.428 2.095 10 0 EEAELP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129257154 205186408 /nfs/dbraw/zinc/18/64/08/205186408.db2.gz YIZNFPVEJQOIGE-OAHLLOKOSA-N 2 2 327.428 2.095 10 0 EEAELP Brc1sccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423107817 532980768 /nfs/dbraw/zinc/98/07/68/532980768.db2.gz FGSYKVNHWHUEQL-NWDGAFQWSA-N 2 2 331.279 2.367 10 0 EEAELP Clc1ccc(OCCN2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000261811312 256016056 /nfs/dbraw/zinc/01/60/56/256016056.db2.gz HQNSTFUOLVCJAQ-INIZCTEOSA-N 2 2 337.895 2.336 10 0 EEAELP Cc1cc(NCC2([NH+](C)C)CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000072947549 291966422 /nfs/dbraw/zinc/96/64/22/291966422.db2.gz KYJOMHWYUAQGJK-UHFFFAOYSA-N 2 2 327.432 2.370 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C1 ZINC000348701355 285395226 /nfs/dbraw/zinc/39/52/26/285395226.db2.gz QONSZMQOUPDDQY-KBPBESRZSA-N 2 2 337.430 2.448 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C1 ZINC000348701355 285395227 /nfs/dbraw/zinc/39/52/27/285395227.db2.gz QONSZMQOUPDDQY-KBPBESRZSA-N 2 2 337.430 2.448 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C1 ZINC000348701355 285395228 /nfs/dbraw/zinc/39/52/28/285395228.db2.gz QONSZMQOUPDDQY-KBPBESRZSA-N 2 2 337.430 2.448 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C1 ZINC000348701355 285395230 /nfs/dbraw/zinc/39/52/30/285395230.db2.gz QONSZMQOUPDDQY-KBPBESRZSA-N 2 2 337.430 2.448 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000177456490 140844662 /nfs/dbraw/zinc/84/46/62/140844662.db2.gz UQGKDXLOEVHNPL-IRXDYDNUSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207323 154003102 /nfs/dbraw/zinc/00/31/02/154003102.db2.gz IVUZJZYGBWDAGW-ZDUSSCGKSA-N 2 2 332.473 2.398 10 0 EEAELP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374207323 154003107 /nfs/dbraw/zinc/00/31/07/154003107.db2.gz IVUZJZYGBWDAGW-ZDUSSCGKSA-N 2 2 332.473 2.398 10 0 EEAELP COCCc1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000374320622 154049690 /nfs/dbraw/zinc/04/96/90/154049690.db2.gz LDOXJBRVHYDGGT-AWEZNQCLSA-N 2 2 345.447 2.171 10 0 EEAELP COCCc1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000374320622 154049694 /nfs/dbraw/zinc/04/96/94/154049694.db2.gz LDOXJBRVHYDGGT-AWEZNQCLSA-N 2 2 345.447 2.171 10 0 EEAELP CC(=O)Nc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079286 159213555 /nfs/dbraw/zinc/21/35/55/159213555.db2.gz YTONOOTVWYUFLW-HNNXBMFYSA-N 2 2 331.460 2.330 10 0 EEAELP CC(=O)Nc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079286 159213558 /nfs/dbraw/zinc/21/35/58/159213558.db2.gz YTONOOTVWYUFLW-HNNXBMFYSA-N 2 2 331.460 2.330 10 0 EEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000106454645 159315872 /nfs/dbraw/zinc/31/58/72/159315872.db2.gz SYIJVCQHOKIRSQ-HNNXBMFYSA-N 2 2 344.484 2.242 10 0 EEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000106454645 159315875 /nfs/dbraw/zinc/31/58/75/159315875.db2.gz SYIJVCQHOKIRSQ-HNNXBMFYSA-N 2 2 344.484 2.242 10 0 EEAELP CCCCCCOCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000107578655 159333171 /nfs/dbraw/zinc/33/31/71/159333171.db2.gz HBWJNQVFWUMDGS-UHFFFAOYSA-N 2 2 339.524 2.258 10 0 EEAELP CCOc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000120050593 159384992 /nfs/dbraw/zinc/38/49/92/159384992.db2.gz QEEBZIHNYRFKPV-GOSISDBHSA-N 2 2 332.492 2.082 10 0 EEAELP CCOc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000120050593 159384995 /nfs/dbraw/zinc/38/49/95/159384995.db2.gz QEEBZIHNYRFKPV-GOSISDBHSA-N 2 2 332.492 2.082 10 0 EEAELP C[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000186533494 160074477 /nfs/dbraw/zinc/07/44/77/160074477.db2.gz BMZKPVYPFAGGDV-MRXNPFEDSA-N 2 2 347.507 2.280 10 0 EEAELP CCO[C@H]1C[C@@](CO)([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000188903370 160131828 /nfs/dbraw/zinc/13/18/28/160131828.db2.gz SOOOOFKORSMYFY-ICSRJNTNSA-N 2 2 347.503 2.202 10 0 EEAELP CCc1cc2c(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc(=O)oc2cc1O ZINC000193649280 160184613 /nfs/dbraw/zinc/18/46/13/160184613.db2.gz BMXNNAQEUDFGNR-GASCZTMLSA-N 2 2 328.412 2.054 10 0 EEAELP CCc1cc2c(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc(=O)oc2cc1O ZINC000193649280 160184615 /nfs/dbraw/zinc/18/46/15/160184615.db2.gz BMXNNAQEUDFGNR-GASCZTMLSA-N 2 2 328.412 2.054 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000245446583 160235817 /nfs/dbraw/zinc/23/58/17/160235817.db2.gz ZXCFJXDSCIDYHP-KSSFIOAISA-N 2 2 346.475 2.246 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000245446583 160235819 /nfs/dbraw/zinc/23/58/19/160235819.db2.gz ZXCFJXDSCIDYHP-KSSFIOAISA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000245446583 160235822 /nfs/dbraw/zinc/23/58/22/160235822.db2.gz ZXCFJXDSCIDYHP-KSSFIOAISA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000245446583 160235823 /nfs/dbraw/zinc/23/58/23/160235823.db2.gz ZXCFJXDSCIDYHP-KSSFIOAISA-N 2 2 346.475 2.246 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000246157676 160265168 /nfs/dbraw/zinc/26/51/68/160265168.db2.gz KPFJEKCZUVUOFA-CVEARBPZSA-N 2 2 331.464 2.152 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000246157676 160265169 /nfs/dbraw/zinc/26/51/69/160265169.db2.gz KPFJEKCZUVUOFA-CVEARBPZSA-N 2 2 331.464 2.152 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N(CC(F)F)CC2CCC2)CC1 ZINC000341676476 161004794 /nfs/dbraw/zinc/00/47/94/161004794.db2.gz NCKUJQDVKUTWEH-UHFFFAOYSA-N 2 2 346.466 2.089 10 0 EEAELP O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000352469454 162147387 /nfs/dbraw/zinc/14/73/87/162147387.db2.gz XQDPWPUNBXWXOR-ZDUSSCGKSA-N 2 2 332.370 2.054 10 0 EEAELP O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000352469454 162147389 /nfs/dbraw/zinc/14/73/89/162147389.db2.gz XQDPWPUNBXWXOR-ZDUSSCGKSA-N 2 2 332.370 2.054 10 0 EEAELP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c(OC)c1 ZINC000355648418 163258820 /nfs/dbraw/zinc/25/88/20/163258820.db2.gz FHZRBBNWWZDKDN-UHFFFAOYSA-N 2 2 343.427 2.430 10 0 EEAELP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000356265626 163387030 /nfs/dbraw/zinc/38/70/30/163387030.db2.gz OJRWVTJZFYVFKY-HUUCEWRRSA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000356265626 163387033 /nfs/dbraw/zinc/38/70/33/163387033.db2.gz OJRWVTJZFYVFKY-HUUCEWRRSA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000356265626 163387036 /nfs/dbraw/zinc/38/70/36/163387036.db2.gz OJRWVTJZFYVFKY-HUUCEWRRSA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 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ZINC000176382035 278381207 /nfs/dbraw/zinc/38/12/07/278381207.db2.gz KTTYZEVHGKPECR-HOTGVXAUSA-N 2 2 336.524 2.375 10 0 EEAELP C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337456771 279317541 /nfs/dbraw/zinc/31/75/41/279317541.db2.gz XMPBDZDLMVICOH-SJORKVTESA-N 2 2 332.492 2.120 10 0 EEAELP C[C@H](CN1CCOCC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337456771 279317544 /nfs/dbraw/zinc/31/75/44/279317544.db2.gz XMPBDZDLMVICOH-SJORKVTESA-N 2 2 332.492 2.120 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000333366409 312136582 /nfs/dbraw/zinc/13/65/82/312136582.db2.gz LVNUXXAIBZOMIR-WBVHZDCISA-N 2 2 345.491 2.259 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc[nH+]1 ZINC000333887864 312210207 /nfs/dbraw/zinc/21/02/07/312210207.db2.gz GHAHFWQDOJOVOY-RCJHGTSTSA-N 2 2 345.491 2.280 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)[nH+]cn1 ZINC000333887864 312210210 /nfs/dbraw/zinc/21/02/10/312210210.db2.gz GHAHFWQDOJOVOY-RCJHGTSTSA-N 2 2 345.491 2.280 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)n1C ZINC000414363597 313005620 /nfs/dbraw/zinc/00/56/20/313005620.db2.gz GVXNQFWWTNEFRW-IRXDYDNUSA-N 2 2 349.429 2.299 10 0 EEAELP C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH3+] ZINC000414905760 313111848 /nfs/dbraw/zinc/11/18/48/313111848.db2.gz OSILGTBQNUCRGV-LJISPDSOSA-N 2 2 334.464 2.153 10 0 EEAELP C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H](C)[NH3+] ZINC000414905760 313111851 /nfs/dbraw/zinc/11/18/51/313111851.db2.gz OSILGTBQNUCRGV-LJISPDSOSA-N 2 2 334.464 2.153 10 0 EEAELP C[NH+](C)C1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000420823290 313985012 /nfs/dbraw/zinc/98/50/12/313985012.db2.gz PIWMGMQNFCDBIU-UHFFFAOYSA-N 2 2 345.491 2.222 10 0 EEAELP CCn1cnnc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449081515 315413322 /nfs/dbraw/zinc/41/33/22/315413322.db2.gz FXGVMVACHAYGSX-INIZCTEOSA-N 2 2 327.476 2.483 10 0 EEAELP 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CC1=CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000527006166 317139709 /nfs/dbraw/zinc/13/97/09/317139709.db2.gz JIJRJZQLEKMOQB-OAHLLOKOSA-N 2 2 330.476 2.406 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000528467010 317393812 /nfs/dbraw/zinc/39/38/12/317393812.db2.gz ZOCNCPHVPHZNGT-UHFFFAOYSA-N 2 2 327.432 2.283 10 0 EEAELP CC[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1OCC(=O)N(C)C ZINC000530224205 317701633 /nfs/dbraw/zinc/70/16/33/317701633.db2.gz VLQQGRVDRUQXFH-AEFFLSMTSA-N 2 2 345.487 2.479 10 0 EEAELP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000530240115 317703339 /nfs/dbraw/zinc/70/33/39/317703339.db2.gz KSSDJJRKJSKORT-INIZCTEOSA-N 2 2 334.464 2.318 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCN(C)C2=O)c(C)c1 ZINC000538705524 318042516 /nfs/dbraw/zinc/04/25/16/318042516.db2.gz QWKPWICYKUFUDH-ROUUACIJSA-N 2 2 326.444 2.452 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc3[nH]ccc32)C1=O ZINC000541205354 318093968 /nfs/dbraw/zinc/09/39/68/318093968.db2.gz YQLGLQOPKNGJMH-QGZVFWFLSA-N 2 2 337.427 2.182 10 0 EEAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCSCC1 ZINC000548307497 318373353 /nfs/dbraw/zinc/37/33/53/318373353.db2.gz NXMVMVUEFHLBNI-ZFWWWQNUSA-N 2 2 336.505 2.032 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000566456941 319290319 /nfs/dbraw/zinc/29/03/19/319290319.db2.gz OVRZIIPRAHKRTF-ZDUSSCGKSA-N 2 2 332.835 2.484 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000566456941 319290321 /nfs/dbraw/zinc/29/03/21/319290321.db2.gz OVRZIIPRAHKRTF-ZDUSSCGKSA-N 2 2 332.835 2.484 10 0 EEAELP O=C(NC[C@@H]1CCC[NH2+]C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000568605098 319502834 /nfs/dbraw/zinc/50/28/34/319502834.db2.gz SZDIEPJEPAXQIQ-CYBMUJFWSA-N 2 2 337.493 2.250 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CC(F)(F)C[NH3+])c2)C[C@H](C)O1 ZINC000576355776 320165144 /nfs/dbraw/zinc/16/51/44/320165144.db2.gz IMGZGWRWEMUPDE-BETUJISGSA-N 2 2 341.402 2.218 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CC(F)(F)C[NH3+])c2)C[C@H](C)O1 ZINC000576355776 320165147 /nfs/dbraw/zinc/16/51/47/320165147.db2.gz IMGZGWRWEMUPDE-BETUJISGSA-N 2 2 341.402 2.218 10 0 EEAELP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000582109765 324381739 /nfs/dbraw/zinc/38/17/39/324381739.db2.gz XOMOWUKAUAEPIK-AWEZNQCLSA-N 2 2 337.493 2.345 10 0 EEAELP Cc1nc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc(N(C)C)[nH+]1 ZINC000531680023 448128255 /nfs/dbraw/zinc/12/82/55/448128255.db2.gz HKWINSCVXNLSRI-INIZCTEOSA-N 2 2 326.448 2.495 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000529367715 448843895 /nfs/dbraw/zinc/84/38/95/448843895.db2.gz QDIGPVVQKJPTBQ-CABCVRRESA-N 2 2 348.495 2.232 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000627077452 451112790 /nfs/dbraw/zinc/11/27/90/451112790.db2.gz CJOXSVHOTFSYBR-HUUCEWRRSA-N 2 2 348.495 2.137 10 0 EEAELP CCCN(C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@@H]1CC[NH2+]C1 ZINC000627179458 451168125 /nfs/dbraw/zinc/16/81/25/451168125.db2.gz TZPJGIBVQJRWQL-OAHLLOKOSA-N 2 2 348.495 2.104 10 0 EEAELP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@@H]1CCc2[nH+]ccn2C1 ZINC000328632403 465081513 /nfs/dbraw/zinc/08/15/13/465081513.db2.gz RSVPWMJKPJMVOX-LBPRGKRZSA-N 2 2 325.420 2.452 10 0 EEAELP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000358401627 465101611 /nfs/dbraw/zinc/10/16/11/465101611.db2.gz NYRBJZXVVJUUSG-XIRDDKMYSA-N 2 2 333.476 2.144 10 0 EEAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000358401627 465101616 /nfs/dbraw/zinc/10/16/16/465101616.db2.gz NYRBJZXVVJUUSG-XIRDDKMYSA-N 2 2 333.476 2.144 10 0 EEAELP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000337275960 465281759 /nfs/dbraw/zinc/28/17/59/465281759.db2.gz QNHDCFNOWCGKBX-AWEZNQCLSA-N 2 2 335.414 2.205 10 0 EEAELP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000337275960 465281763 /nfs/dbraw/zinc/28/17/63/465281763.db2.gz QNHDCFNOWCGKBX-AWEZNQCLSA-N 2 2 335.414 2.205 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000337289232 465288493 /nfs/dbraw/zinc/28/84/93/465288493.db2.gz NORXNTVLJZJGFI-UHFFFAOYSA-N 2 2 330.476 2.159 10 0 EEAELP CC(C)N1CC[C@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000337429837 465363891 /nfs/dbraw/zinc/36/38/91/465363891.db2.gz DWYZHDBEJDYENB-WBVHZDCISA-N 2 2 330.476 2.408 10 0 EEAELP CC(C)N1CC[C@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000337429837 465363895 /nfs/dbraw/zinc/36/38/95/465363895.db2.gz DWYZHDBEJDYENB-WBVHZDCISA-N 2 2 330.476 2.408 10 0 EEAELP C[NH+]1CCC([NH2+]CC2CCC(C[NH2+]C3CC[NH+](C)CC3)CC2)CC1 ZINC000002004335 462588568 /nfs/dbraw/zinc/58/85/68/462588568.db2.gz STMCRUBVLOKMKB-UHFFFAOYSA-N 4 2 336.568 2.160 10 0 EEAELP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000065441340 462771247 /nfs/dbraw/zinc/77/12/47/462771247.db2.gz WKBWZHQFPAVMHD-INIZCTEOSA-N 2 2 345.491 2.080 10 0 EEAELP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000065441340 462771250 /nfs/dbraw/zinc/77/12/50/462771250.db2.gz WKBWZHQFPAVMHD-INIZCTEOSA-N 2 2 345.491 2.080 10 0 EEAELP C[NH+](C)C[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCO1 ZINC000116792909 462775611 /nfs/dbraw/zinc/77/56/11/462775611.db2.gz YHADRBMAWCJDRW-SFHVURJKSA-N 2 2 341.411 2.277 10 0 EEAELP O=S1(=O)CC[C@H]([NH2+]CCn2cc[nH+]c2)c2cc(Cl)ccc21 ZINC000154892592 462820591 /nfs/dbraw/zinc/82/05/91/462820591.db2.gz PMVIRDINYQBGTN-ZDUSSCGKSA-N 2 2 325.821 2.045 10 0 EEAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000579220515 468326421 /nfs/dbraw/zinc/32/64/21/468326421.db2.gz DUFRLQQEZFWMKP-LESCRADOSA-N 2 2 344.480 2.106 10 0 EEAELP C[C@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)n1cc[nH+]c1 ZINC000066946056 462951855 /nfs/dbraw/zinc/95/18/55/462951855.db2.gz HODUGHHPTLPGHO-QGZVFWFLSA-N 2 2 328.460 2.467 10 0 EEAELP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134089524 463002653 /nfs/dbraw/zinc/00/26/53/463002653.db2.gz JMTHRHJYVOBCJG-IRXDYDNUSA-N 2 2 347.507 2.260 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OCC(=O)N(C)C)CC[N@@H+]1C ZINC000093644519 463042462 /nfs/dbraw/zinc/04/24/62/463042462.db2.gz BDIIJXAXOSBGRX-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccccc2OCC(=O)N(C)C)CC[N@H+]1C ZINC000093644519 463042465 /nfs/dbraw/zinc/04/24/65/463042465.db2.gz BDIIJXAXOSBGRX-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)CC[NH+]1C ZINC000093644519 463042469 /nfs/dbraw/zinc/04/24/69/463042469.db2.gz BDIIJXAXOSBGRX-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCC(=O)N(C)C)CC[NH+]1C ZINC000093644519 463042473 /nfs/dbraw/zinc/04/24/73/463042473.db2.gz BDIIJXAXOSBGRX-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP CCOc1ncccc1C(=O)NCC(C)(C)[NH+]1CCC([NH+](C)C)CC1 ZINC000068499966 463144976 /nfs/dbraw/zinc/14/49/76/463144976.db2.gz LQQJZIPZQWNDPL-UHFFFAOYSA-N 2 2 348.491 2.015 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000122859468 463296629 /nfs/dbraw/zinc/29/66/29/463296629.db2.gz KGNUXGBTSKQEGY-HNNXBMFYSA-N 2 2 329.448 2.313 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000122859468 463296634 /nfs/dbraw/zinc/29/66/34/463296634.db2.gz KGNUXGBTSKQEGY-HNNXBMFYSA-N 2 2 329.448 2.313 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000139006588 463315486 /nfs/dbraw/zinc/31/54/86/463315486.db2.gz UXVPLQBVGNJFIA-MRXNPFEDSA-N 2 2 347.507 2.259 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000139006588 463315495 /nfs/dbraw/zinc/31/54/95/463315495.db2.gz UXVPLQBVGNJFIA-MRXNPFEDSA-N 2 2 347.507 2.259 10 0 EEAELP Cc1cncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000080661060 463343801 /nfs/dbraw/zinc/34/38/01/463343801.db2.gz BBXFKCSAXLORQZ-UHFFFAOYSA-N 2 2 330.476 2.070 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000193816758 463744690 /nfs/dbraw/zinc/74/46/90/463744690.db2.gz MGCACWUMRWHCFD-AZUAARDMSA-N 2 2 332.488 2.468 10 0 EEAELP c1cn(Cc2ccccc2)c(CN2CC[NH2+]C[C@H]2c2ccncc2)[nH+]1 ZINC000262007950 463924813 /nfs/dbraw/zinc/92/48/13/463924813.db2.gz MADYEYPDCVDWBB-IBGZPJMESA-N 2 2 333.439 2.473 10 0 EEAELP COC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255029 464025010 /nfs/dbraw/zinc/02/50/10/464025010.db2.gz KIFBVFJUCRDRCQ-AWEZNQCLSA-N 2 2 325.478 2.158 10 0 EEAELP COC(=O)CCC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255029 464025017 /nfs/dbraw/zinc/02/50/17/464025017.db2.gz KIFBVFJUCRDRCQ-AWEZNQCLSA-N 2 2 325.478 2.158 10 0 EEAELP COC(=O)CCC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195255029 464025023 /nfs/dbraw/zinc/02/50/23/464025023.db2.gz KIFBVFJUCRDRCQ-AWEZNQCLSA-N 2 2 325.478 2.158 10 0 EEAELP COC(=O)CCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195255029 464025030 /nfs/dbraw/zinc/02/50/30/464025030.db2.gz KIFBVFJUCRDRCQ-AWEZNQCLSA-N 2 2 325.478 2.158 10 0 EEAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263194703 464060362 /nfs/dbraw/zinc/06/03/62/464060362.db2.gz IHKOGLQIHQWVRP-RISCZKNCSA-N 2 2 329.425 2.226 10 0 EEAELP COCc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000172850939 464154486 /nfs/dbraw/zinc/15/44/86/464154486.db2.gz ZKAJYVSJFRAGTE-UHFFFAOYSA-N 2 2 349.475 2.106 10 0 EEAELP Cc1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)ncn1 ZINC000292367080 464209171 /nfs/dbraw/zinc/20/91/71/464209171.db2.gz GFXICGMZXZGSLI-UHFFFAOYSA-N 2 2 339.487 2.035 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173523224 464276124 /nfs/dbraw/zinc/27/61/24/464276124.db2.gz QYWLGNCODHUVFU-INIZCTEOSA-N 2 2 339.443 2.000 10 0 EEAELP Cc1cccc(OC[C@@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000237770725 464377559 /nfs/dbraw/zinc/37/75/59/464377559.db2.gz RWOKGHZKKVOGJV-SFHVURJKSA-N 2 2 341.455 2.388 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000181281172 464465447 /nfs/dbraw/zinc/46/54/47/464465447.db2.gz WILUULWXIBRDGN-MRXNPFEDSA-N 2 2 338.455 2.173 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000246046959 464536373 /nfs/dbraw/zinc/53/63/73/464536373.db2.gz OXJVWWOKQDXROS-WMLDXEAASA-N 2 2 328.403 2.353 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000246046959 464536376 /nfs/dbraw/zinc/53/63/76/464536376.db2.gz OXJVWWOKQDXROS-WMLDXEAASA-N 2 2 328.403 2.353 10 0 EEAELP CCCn1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000190312076 464620870 /nfs/dbraw/zinc/62/08/70/464620870.db2.gz FMDPCYJFUQBJJX-HXUWFJFHSA-N 2 2 342.487 2.362 10 0 EEAELP CCCn1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000190312076 464620872 /nfs/dbraw/zinc/62/08/72/464620872.db2.gz FMDPCYJFUQBJJX-HXUWFJFHSA-N 2 2 342.487 2.362 10 0 EEAELP CCCn1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000190312076 464620875 /nfs/dbraw/zinc/62/08/75/464620875.db2.gz FMDPCYJFUQBJJX-HXUWFJFHSA-N 2 2 342.487 2.362 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(C(N)=O)cs2)C1 ZINC000190479289 464655005 /nfs/dbraw/zinc/65/50/05/464655005.db2.gz QVGBBDANYHDUID-OAHLLOKOSA-N 2 2 344.484 2.196 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(C(N)=O)cs2)C1 ZINC000190479289 464655009 /nfs/dbraw/zinc/65/50/09/464655009.db2.gz QVGBBDANYHDUID-OAHLLOKOSA-N 2 2 344.484 2.196 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000190479289 464655013 /nfs/dbraw/zinc/65/50/13/464655013.db2.gz QVGBBDANYHDUID-OAHLLOKOSA-N 2 2 344.484 2.196 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000190479289 464655019 /nfs/dbraw/zinc/65/50/19/464655019.db2.gz QVGBBDANYHDUID-OAHLLOKOSA-N 2 2 344.484 2.196 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)on1 ZINC000282054082 464682910 /nfs/dbraw/zinc/68/29/10/464682910.db2.gz MGJDNJZBFYMYHG-CQSZACIVSA-N 2 2 343.431 2.334 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)on1 ZINC000282054082 464682911 /nfs/dbraw/zinc/68/29/11/464682911.db2.gz MGJDNJZBFYMYHG-CQSZACIVSA-N 2 2 343.431 2.334 10 0 EEAELP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248658619 464782943 /nfs/dbraw/zinc/78/29/43/464782943.db2.gz ULKQHXXLKCHKGD-WMZOPIPTSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248658619 464782944 /nfs/dbraw/zinc/78/29/44/464782944.db2.gz ULKQHXXLKCHKGD-WMZOPIPTSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248658619 464782945 /nfs/dbraw/zinc/78/29/45/464782945.db2.gz ULKQHXXLKCHKGD-WMZOPIPTSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248658619 464782947 /nfs/dbraw/zinc/78/29/47/464782947.db2.gz ULKQHXXLKCHKGD-WMZOPIPTSA-N 2 2 332.492 2.092 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)c2cc1C ZINC000248848392 464810010 /nfs/dbraw/zinc/81/00/10/464810010.db2.gz SHNWTOPQQULOIZ-YVSFHVDLSA-N 2 2 331.460 2.248 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)c2cc1C ZINC000248848392 464810012 /nfs/dbraw/zinc/81/00/12/464810012.db2.gz SHNWTOPQQULOIZ-YVSFHVDLSA-N 2 2 331.460 2.248 10 0 EEAELP O=C1[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCN1Cc1ccc(F)cc1 ZINC000298180392 465324050 /nfs/dbraw/zinc/32/40/50/465324050.db2.gz VLCKKPIPACJLPW-SFHVURJKSA-N 2 2 331.435 2.143 10 0 EEAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000362393704 465702944 /nfs/dbraw/zinc/70/29/44/465702944.db2.gz WILJDYSPPCRWOR-LPHOPBHVSA-N 2 2 329.488 2.454 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000362393704 465702949 /nfs/dbraw/zinc/70/29/49/465702949.db2.gz WILJDYSPPCRWOR-LPHOPBHVSA-N 2 2 329.488 2.454 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000362393704 465702955 /nfs/dbraw/zinc/70/29/55/465702955.db2.gz WILJDYSPPCRWOR-LPHOPBHVSA-N 2 2 329.488 2.454 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000362393704 465702958 /nfs/dbraw/zinc/70/29/58/465702958.db2.gz WILJDYSPPCRWOR-LPHOPBHVSA-N 2 2 329.488 2.454 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000348634922 465721151 /nfs/dbraw/zinc/72/11/51/465721151.db2.gz QNJAQHWTNCWPPU-NJAFHUGGSA-N 2 2 345.487 2.289 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000348634922 465721152 /nfs/dbraw/zinc/72/11/52/465721152.db2.gz QNJAQHWTNCWPPU-NJAFHUGGSA-N 2 2 345.487 2.289 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000348634922 465721155 /nfs/dbraw/zinc/72/11/55/465721155.db2.gz QNJAQHWTNCWPPU-NJAFHUGGSA-N 2 2 345.487 2.289 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000348634922 465721158 /nfs/dbraw/zinc/72/11/58/465721158.db2.gz QNJAQHWTNCWPPU-NJAFHUGGSA-N 2 2 345.487 2.289 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C1 ZINC000348701356 465746935 /nfs/dbraw/zinc/74/69/35/465746935.db2.gz QONSZMQOUPDDQY-UONOGXRCSA-N 2 2 337.430 2.448 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C1 ZINC000348701356 465746945 /nfs/dbraw/zinc/74/69/45/465746945.db2.gz QONSZMQOUPDDQY-UONOGXRCSA-N 2 2 337.430 2.448 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C1 ZINC000348701356 465746955 /nfs/dbraw/zinc/74/69/55/465746955.db2.gz QONSZMQOUPDDQY-UONOGXRCSA-N 2 2 337.430 2.448 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@@H](C)C1 ZINC000348701356 465746959 /nfs/dbraw/zinc/74/69/59/465746959.db2.gz QONSZMQOUPDDQY-UONOGXRCSA-N 2 2 337.430 2.448 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348754304 465772024 /nfs/dbraw/zinc/77/20/24/465772024.db2.gz KPXNQTYHSSTVAP-KPFFTGBYSA-N 2 2 340.471 2.053 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348754304 465772032 /nfs/dbraw/zinc/77/20/32/465772032.db2.gz KPXNQTYHSSTVAP-KPFFTGBYSA-N 2 2 340.471 2.053 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccs1 ZINC000357130512 465797442 /nfs/dbraw/zinc/79/74/42/465797442.db2.gz HYBQTNADUICPGV-OAHLLOKOSA-N 2 2 341.440 2.362 10 0 EEAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175177 465814966 /nfs/dbraw/zinc/81/49/66/465814966.db2.gz LUDCDKKLLSFOEE-VKJFTORMSA-N 3 2 334.483 2.178 10 0 EEAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175177 465814973 /nfs/dbraw/zinc/81/49/73/465814973.db2.gz LUDCDKKLLSFOEE-VKJFTORMSA-N 3 2 334.483 2.178 10 0 EEAELP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000371470457 465817161 /nfs/dbraw/zinc/81/71/61/465817161.db2.gz LPELZTWDCLCLGR-KRWDZBQOSA-N 2 2 328.416 2.385 10 0 EEAELP COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000371470457 465817163 /nfs/dbraw/zinc/81/71/63/465817163.db2.gz LPELZTWDCLCLGR-KRWDZBQOSA-N 2 2 328.416 2.385 10 0 EEAELP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353453724 465894150 /nfs/dbraw/zinc/89/41/50/465894150.db2.gz ZJXGQHFKMSUJPV-OALUTQOASA-N 2 2 349.519 2.107 10 0 EEAELP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353453724 465894158 /nfs/dbraw/zinc/89/41/58/465894158.db2.gz ZJXGQHFKMSUJPV-OALUTQOASA-N 2 2 349.519 2.107 10 0 EEAELP C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340249369 465920201 /nfs/dbraw/zinc/92/02/01/465920201.db2.gz GPPGWGLAKLQULA-KXBFYZLASA-N 2 2 344.503 2.245 10 0 EEAELP CN(C(=O)C1CCC(F)(F)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362673850 465929715 /nfs/dbraw/zinc/92/97/15/465929715.db2.gz BZDNVZOODWVBFP-INIZCTEOSA-N 2 2 343.462 2.439 10 0 EEAELP CN(C(=O)C1CCC(F)(F)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362673850 465929720 /nfs/dbraw/zinc/92/97/20/465929720.db2.gz BZDNVZOODWVBFP-INIZCTEOSA-N 2 2 343.462 2.439 10 0 EEAELP Cn1cc(-c2cc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)on2)cn1 ZINC000346191830 465978770 /nfs/dbraw/zinc/97/87/70/465978770.db2.gz QWEWNTFFQFEEPF-OAHLLOKOSA-N 2 2 329.448 2.239 10 0 EEAELP Cn1cc(-c2cc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)on2)cn1 ZINC000346191830 465978777 /nfs/dbraw/zinc/97/87/77/465978777.db2.gz QWEWNTFFQFEEPF-OAHLLOKOSA-N 2 2 329.448 2.239 10 0 EEAELP Cn1cc(-c2cc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)on2)cn1 ZINC000346191830 465978786 /nfs/dbraw/zinc/97/87/86/465978786.db2.gz QWEWNTFFQFEEPF-OAHLLOKOSA-N 2 2 329.448 2.239 10 0 EEAELP Cn1cc(-c2cc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)on2)cn1 ZINC000346191830 465978791 /nfs/dbraw/zinc/97/87/91/465978791.db2.gz QWEWNTFFQFEEPF-OAHLLOKOSA-N 2 2 329.448 2.239 10 0 EEAELP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]c(C3CC3)n2)CC1 ZINC000301557159 465986064 /nfs/dbraw/zinc/98/60/64/465986064.db2.gz SQENECCFNAQAAT-UHFFFAOYSA-N 2 2 345.491 2.393 10 0 EEAELP C[NH+]1CCC(CCO)([NH2+]Cc2cnc(-c3ccccn3)s2)CC1 ZINC000361461862 466016515 /nfs/dbraw/zinc/01/65/15/466016515.db2.gz CCKVNCQIWOWINP-UHFFFAOYSA-N 2 2 332.473 2.142 10 0 EEAELP CCc1cccc(F)c1C[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000353662115 466050007 /nfs/dbraw/zinc/05/00/07/466050007.db2.gz QOHDUPVDCSCGCG-UHFFFAOYSA-N 2 2 335.467 2.374 10 0 EEAELP CC1=CC[N@H+](CC[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000353670517 466053013 /nfs/dbraw/zinc/05/30/13/466053013.db2.gz LNAHXYYUQDYFOM-MRXNPFEDSA-N 2 2 341.455 2.303 10 0 EEAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000353670517 466053020 /nfs/dbraw/zinc/05/30/20/466053020.db2.gz LNAHXYYUQDYFOM-MRXNPFEDSA-N 2 2 341.455 2.303 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000361519638 466067274 /nfs/dbraw/zinc/06/72/74/466067274.db2.gz PADMLHDVPXINML-DEOSSOPVSA-N 2 2 345.468 2.020 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C[C@@H](C)OC ZINC000361570231 466105608 /nfs/dbraw/zinc/10/56/08/466105608.db2.gz VPEDDQSTICDYEP-QZTJIDSGSA-N 2 2 347.503 2.249 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C[C@@H](C)OC ZINC000361570231 466105613 /nfs/dbraw/zinc/10/56/13/466105613.db2.gz VPEDDQSTICDYEP-QZTJIDSGSA-N 2 2 347.503 2.249 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357809765 466229306 /nfs/dbraw/zinc/22/93/06/466229306.db2.gz CIQMQQRBUZQQAA-OAHLLOKOSA-N 2 2 333.480 2.078 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357809765 466229312 /nfs/dbraw/zinc/22/93/12/466229312.db2.gz CIQMQQRBUZQQAA-OAHLLOKOSA-N 2 2 333.480 2.078 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304486565 466304005 /nfs/dbraw/zinc/30/40/05/466304005.db2.gz CCNSSEATTQLXSI-LPHOPBHVSA-N 2 2 336.451 2.212 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304486565 466304013 /nfs/dbraw/zinc/30/40/13/466304013.db2.gz CCNSSEATTQLXSI-LPHOPBHVSA-N 2 2 336.451 2.212 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2COc3cccc(C)c3C2)CC1 ZINC000600186964 468487740 /nfs/dbraw/zinc/48/77/40/468487740.db2.gz WDALZGNRDIHRML-KRWDZBQOSA-N 2 2 346.471 2.306 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2c(C)cc(C)nc2OC)CC1 ZINC000347080812 466377448 /nfs/dbraw/zinc/37/74/48/466377448.db2.gz JWHPJYLPSGDUDT-UHFFFAOYSA-N 2 2 342.443 2.433 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001939 466379239 /nfs/dbraw/zinc/37/92/39/466379239.db2.gz FWDNUQOIPGALGJ-UYAOXDASSA-N 3 2 330.520 2.129 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001939 466379249 /nfs/dbraw/zinc/37/92/49/466379249.db2.gz FWDNUQOIPGALGJ-UYAOXDASSA-N 3 2 330.520 2.129 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CCC2 ZINC000332685198 466550572 /nfs/dbraw/zinc/55/05/72/466550572.db2.gz MQAHRJMVJQUWHM-IAGOWNOFSA-N 2 2 345.491 2.339 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)CCC2 ZINC000332682086 466550887 /nfs/dbraw/zinc/55/08/87/466550887.db2.gz ITZWPGBQNBSYFO-HZPDHXFCSA-N 2 2 333.480 2.051 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)CCC2 ZINC000332682086 466550895 /nfs/dbraw/zinc/55/08/95/466550895.db2.gz ITZWPGBQNBSYFO-HZPDHXFCSA-N 2 2 333.480 2.051 10 0 EEAELP Fc1ccc(-c2nc(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)co2)cc1 ZINC000422933970 466688032 /nfs/dbraw/zinc/68/80/32/466688032.db2.gz BVBNZDPEBLPUOC-MSOLQXFVSA-N 2 2 345.418 2.380 10 0 EEAELP COCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423405928 466740470 /nfs/dbraw/zinc/74/04/70/466740470.db2.gz JVKRXYUCELRCSV-RBUKOAKNSA-N 3 2 347.503 2.094 10 0 EEAELP c1cc(C[NH2+][C@H]2COC3(CCC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000657849686 471240698 /nfs/dbraw/zinc/24/06/98/471240698.db2.gz LZWRZEAZIYDGDO-GOSISDBHSA-N 2 2 346.471 2.199 10 0 EEAELP COC[C@]1(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)CCC[NH2+]1 ZINC000423441804 466750767 /nfs/dbraw/zinc/75/07/67/466750767.db2.gz WFVWLPUZQOBXRQ-CXAGYDPISA-N 2 2 349.866 2.340 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000423830396 466865403 /nfs/dbraw/zinc/86/54/03/466865403.db2.gz QAJLUSNSNLBEMB-RGXXSHLXSA-N 2 2 339.430 2.446 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000423830396 466865408 /nfs/dbraw/zinc/86/54/08/466865408.db2.gz QAJLUSNSNLBEMB-RGXXSHLXSA-N 2 2 339.430 2.446 10 0 EEAELP Cn1ccc([C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(F)cc2)n1 ZINC000427883027 467184267 /nfs/dbraw/zinc/18/42/67/467184267.db2.gz PPMOQFRBFRAYEU-MAUKXSAKSA-N 2 2 325.391 2.450 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)[nH+]1 ZINC000451092118 467245270 /nfs/dbraw/zinc/24/52/70/467245270.db2.gz LKJOZHJLEHTUFA-KRWDZBQOSA-N 2 2 346.519 2.470 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)[nH+]1 ZINC000451092118 467245274 /nfs/dbraw/zinc/24/52/74/467245274.db2.gz LKJOZHJLEHTUFA-KRWDZBQOSA-N 2 2 346.519 2.470 10 0 EEAELP Cc1ccc2[nH+]cc(CNc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)n2c1 ZINC000433197849 467304922 /nfs/dbraw/zinc/30/49/22/467304922.db2.gz UOOVNWFEJMTTMU-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP Cc1ccc2[nH+]cc(CNc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)n2c1 ZINC000433197849 467304926 /nfs/dbraw/zinc/30/49/26/467304926.db2.gz UOOVNWFEJMTTMU-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP Cc1[nH+]c2ccccn2c1CNc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000433206762 467307363 /nfs/dbraw/zinc/30/73/63/467307363.db2.gz OYFNKHMAXVKIMP-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP Cc1[nH+]c2ccccn2c1CNc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000433206762 467307366 /nfs/dbraw/zinc/30/73/66/467307366.db2.gz OYFNKHMAXVKIMP-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297755 467399429 /nfs/dbraw/zinc/39/94/29/467399429.db2.gz GNNNCPYUMZBPQS-YLJYHZDGSA-N 3 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297755 467399434 /nfs/dbraw/zinc/39/94/34/467399434.db2.gz GNNNCPYUMZBPQS-YLJYHZDGSA-N 3 2 343.515 2.086 10 0 EEAELP Cn1c2cc(F)ccc2[nH+]c1N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431436857 467516143 /nfs/dbraw/zinc/51/61/43/467516143.db2.gz WZVZFAFOOVRJKC-INIZCTEOSA-N 2 2 345.466 2.319 10 0 EEAELP Cn1c2cc(F)ccc2[nH+]c1N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431436857 467516148 /nfs/dbraw/zinc/51/61/48/467516148.db2.gz WZVZFAFOOVRJKC-INIZCTEOSA-N 2 2 345.466 2.319 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449119299 467619218 /nfs/dbraw/zinc/61/92/18/467619218.db2.gz XZMVSIOFBYRBMV-GOSISDBHSA-N 2 2 344.459 2.081 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449119299 467619219 /nfs/dbraw/zinc/61/92/19/467619219.db2.gz XZMVSIOFBYRBMV-GOSISDBHSA-N 2 2 344.459 2.081 10 0 EEAELP CC(C)CC[NH+]1CCC(CNC(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000458527189 467851537 /nfs/dbraw/zinc/85/15/37/467851537.db2.gz VMHWTVTVHAIVEG-UHFFFAOYSA-N 2 2 335.496 2.020 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529643189 467890489 /nfs/dbraw/zinc/89/04/89/467890489.db2.gz WMAVWGGUHAJTPO-INIZCTEOSA-N 2 2 341.455 2.279 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529643189 467890492 /nfs/dbraw/zinc/89/04/92/467890492.db2.gz WMAVWGGUHAJTPO-INIZCTEOSA-N 2 2 341.455 2.279 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000529831310 467916725 /nfs/dbraw/zinc/91/67/25/467916725.db2.gz FUMQBXFHHHXXOP-MJGOQNOKSA-N 2 2 343.471 2.013 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000529831310 467916727 /nfs/dbraw/zinc/91/67/27/467916727.db2.gz FUMQBXFHHHXXOP-MJGOQNOKSA-N 2 2 343.471 2.013 10 0 EEAELP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000529831310 467916729 /nfs/dbraw/zinc/91/67/29/467916729.db2.gz FUMQBXFHHHXXOP-MJGOQNOKSA-N 2 2 343.471 2.013 10 0 EEAELP COc1ccc(C[NH+]2CC[C@@H]2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000529831310 467916732 /nfs/dbraw/zinc/91/67/32/467916732.db2.gz FUMQBXFHHHXXOP-MJGOQNOKSA-N 2 2 343.471 2.013 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)C[N@@H+]3CC[C@H](C)C3)ccc2n1[C@H](C)CO ZINC000519638444 468187143 /nfs/dbraw/zinc/18/71/43/468187143.db2.gz BMYSJASNMVZXHM-QWHCGFSZSA-N 2 2 330.432 2.178 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)C[N@H+]3CC[C@H](C)C3)ccc2n1[C@H](C)CO ZINC000519638444 468187151 /nfs/dbraw/zinc/18/71/51/468187151.db2.gz BMYSJASNMVZXHM-QWHCGFSZSA-N 2 2 330.432 2.178 10 0 EEAELP CSc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000582237316 468510355 /nfs/dbraw/zinc/51/03/55/468510355.db2.gz WCAWLNDDYLHEOJ-STQMWFEESA-N 2 2 333.457 2.018 10 0 EEAELP CSc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000582237316 468510358 /nfs/dbraw/zinc/51/03/58/468510358.db2.gz WCAWLNDDYLHEOJ-STQMWFEESA-N 2 2 333.457 2.018 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000582591413 468561813 /nfs/dbraw/zinc/56/18/13/468561813.db2.gz RQCXLJMVEDHCEN-HNNXBMFYSA-N 2 2 333.480 2.481 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000557167970 468617989 /nfs/dbraw/zinc/61/79/89/468617989.db2.gz PMFJHJQCKFFGRU-INIZCTEOSA-N 2 2 333.480 2.213 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571404156 468784836 /nfs/dbraw/zinc/78/48/36/468784836.db2.gz KJGVSVGPNDXEFY-OXQOHEQNSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571404156 468784843 /nfs/dbraw/zinc/78/48/43/468784843.db2.gz KJGVSVGPNDXEFY-OXQOHEQNSA-N 2 2 327.472 2.035 10 0 EEAELP CCOC(=O)c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)on1 ZINC000601311473 468822201 /nfs/dbraw/zinc/82/22/01/468822201.db2.gz ZGCGMUUJPNNDNJ-UHFFFAOYSA-N 2 2 330.388 2.005 10 0 EEAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000571746131 468832096 /nfs/dbraw/zinc/83/20/96/468832096.db2.gz GXVGHJCTOLDCKA-JQWIXIFHSA-N 2 2 342.896 2.063 10 0 EEAELP C[N@H+]1CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000571746131 468832100 /nfs/dbraw/zinc/83/21/00/468832100.db2.gz GXVGHJCTOLDCKA-JQWIXIFHSA-N 2 2 342.896 2.063 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000561148553 468867894 /nfs/dbraw/zinc/86/78/94/468867894.db2.gz JNTFIPSZXYYJSA-DLBZAZTESA-N 2 2 339.443 2.045 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCc3cn(C)c[nH+]3)C2)CC1 ZINC000573804018 469210160 /nfs/dbraw/zinc/21/01/60/469210160.db2.gz HZXIABQWZJPACH-KRWDZBQOSA-N 2 2 347.507 2.116 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000625968272 469452242 /nfs/dbraw/zinc/45/22/42/469452242.db2.gz FCHWICNVOYFLMT-QZTJIDSGSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000625968272 469452245 /nfs/dbraw/zinc/45/22/45/469452245.db2.gz FCHWICNVOYFLMT-QZTJIDSGSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000625968272 469452247 /nfs/dbraw/zinc/45/22/47/469452247.db2.gz FCHWICNVOYFLMT-QZTJIDSGSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000625968272 469452250 /nfs/dbraw/zinc/45/22/50/469452250.db2.gz FCHWICNVOYFLMT-QZTJIDSGSA-N 2 2 338.467 2.333 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000626086671 469498555 /nfs/dbraw/zinc/49/85/55/469498555.db2.gz KUJGGIWYQKCVBT-GOSISDBHSA-N 2 2 348.487 2.003 10 0 EEAELP C[C@@H](CNC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629584405 469584908 /nfs/dbraw/zinc/58/49/08/469584908.db2.gz QJBXYKNAAFRTBT-CPLUKWAASA-N 2 2 329.488 2.226 10 0 EEAELP C[C@@H](CNC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629584405 469584913 /nfs/dbraw/zinc/58/49/13/469584913.db2.gz QJBXYKNAAFRTBT-CPLUKWAASA-N 2 2 329.488 2.226 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000629585306 469585152 /nfs/dbraw/zinc/58/51/52/469585152.db2.gz QQLWDERAQXTURK-RYQLBKOJSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000629585306 469585156 /nfs/dbraw/zinc/58/51/56/469585156.db2.gz QQLWDERAQXTURK-RYQLBKOJSA-N 2 2 333.863 2.377 10 0 EEAELP CC[N@H+](Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1)C(C)C ZINC000623268592 469603943 /nfs/dbraw/zinc/60/39/43/469603943.db2.gz RDYZDGXXKLZVNC-KRWDZBQOSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1)C(C)C ZINC000623268592 469603947 /nfs/dbraw/zinc/60/39/47/469603947.db2.gz RDYZDGXXKLZVNC-KRWDZBQOSA-N 2 2 326.444 2.468 10 0 EEAELP Cc1cn2cc(NC(=O)N3CCN(c4cc[nH+]cc4)CC3)ccc2[nH+]1 ZINC000606569887 469618777 /nfs/dbraw/zinc/61/87/77/469618777.db2.gz DWXYEZOCELOZGC-UHFFFAOYSA-N 2 2 336.399 2.392 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@H]3CCCC34CC4)CC2)CC1 ZINC000623564494 469695887 /nfs/dbraw/zinc/69/58/87/469695887.db2.gz FOGDHQYAJHGWNE-MRXNPFEDSA-N 2 2 348.535 2.425 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000617507024 469705837 /nfs/dbraw/zinc/70/58/37/469705837.db2.gz FSZDIUQWXUNKMZ-NSHDSACASA-N 2 2 345.846 2.187 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000617507024 469705840 /nfs/dbraw/zinc/70/58/40/469705840.db2.gz FSZDIUQWXUNKMZ-NSHDSACASA-N 2 2 345.846 2.187 10 0 EEAELP CCN(C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617555075 469725794 /nfs/dbraw/zinc/72/57/94/469725794.db2.gz PKSVEZZRAGSYMN-KRWDZBQOSA-N 2 2 330.476 2.159 10 0 EEAELP CCN(C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000617555075 469725800 /nfs/dbraw/zinc/72/58/00/469725800.db2.gz PKSVEZZRAGSYMN-KRWDZBQOSA-N 2 2 330.476 2.159 10 0 EEAELP CCN(C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617555076 469726443 /nfs/dbraw/zinc/72/64/43/469726443.db2.gz PKSVEZZRAGSYMN-QGZVFWFLSA-N 2 2 330.476 2.159 10 0 EEAELP CCN(C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000617555076 469726446 /nfs/dbraw/zinc/72/64/46/469726446.db2.gz PKSVEZZRAGSYMN-QGZVFWFLSA-N 2 2 330.476 2.159 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000626927633 469758399 /nfs/dbraw/zinc/75/83/99/469758399.db2.gz VWBZTYIZMWYBBX-NILFDRSVSA-N 2 2 347.850 2.213 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C[NH2+]1 ZINC000626927545 469758448 /nfs/dbraw/zinc/75/84/48/469758448.db2.gz REVKMVDYJGFFLH-KCXAZCMYSA-N 2 2 345.422 2.088 10 0 EEAELP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000623814743 469769089 /nfs/dbraw/zinc/76/90/89/469769089.db2.gz QSPSBXRWLQLCEF-JKSUJKDBSA-N 2 2 325.372 2.184 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C[NH2+]1 ZINC000626981259 469776289 /nfs/dbraw/zinc/77/62/89/469776289.db2.gz ZLNUCHJVFMEVHJ-XUJVJEKNSA-N 2 2 340.418 2.007 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(OC2CCC2)cc1 ZINC000617766454 469797558 /nfs/dbraw/zinc/79/75/58/469797558.db2.gz LAGCQWZROMDKMH-UHFFFAOYSA-N 2 2 333.476 2.231 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(OC2CCC2)cc1 ZINC000617766454 469797561 /nfs/dbraw/zinc/79/75/61/469797561.db2.gz LAGCQWZROMDKMH-UHFFFAOYSA-N 2 2 333.476 2.231 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000617768640 469798473 /nfs/dbraw/zinc/79/84/73/469798473.db2.gz NQOMUMJBELRVFV-UHFFFAOYSA-N 2 2 331.382 2.319 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000617768640 469798475 /nfs/dbraw/zinc/79/84/75/469798475.db2.gz NQOMUMJBELRVFV-UHFFFAOYSA-N 2 2 331.382 2.319 10 0 EEAELP CO[C@@H]1C[N@H+](CCOc2cccc(Br)c2)[C@@](C)(C[NH3+])C1 ZINC000630363183 469820821 /nfs/dbraw/zinc/82/08/21/469820821.db2.gz CHJKQXBWTOPZKH-LSDHHAIUSA-N 2 2 343.265 2.266 10 0 EEAELP CO[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)[C@@](C)(C[NH3+])C1 ZINC000630363183 469820826 /nfs/dbraw/zinc/82/08/26/469820826.db2.gz CHJKQXBWTOPZKH-LSDHHAIUSA-N 2 2 343.265 2.266 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624574849 469980011 /nfs/dbraw/zinc/98/00/11/469980011.db2.gz ACFLUDATNWKLQJ-JYYAWHABSA-N 2 2 332.492 2.237 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624574849 469980014 /nfs/dbraw/zinc/98/00/14/469980014.db2.gz ACFLUDATNWKLQJ-JYYAWHABSA-N 2 2 332.492 2.237 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000621499341 470056461 /nfs/dbraw/zinc/05/64/61/470056461.db2.gz XIEZCRDWLITPCP-OAHLLOKOSA-N 2 2 348.482 2.383 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](C(F)F)C1CCCCC1 ZINC000621499341 470056464 /nfs/dbraw/zinc/05/64/64/470056464.db2.gz XIEZCRDWLITPCP-OAHLLOKOSA-N 2 2 348.482 2.383 10 0 EEAELP CC(C)n1ncnc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000631052723 470057611 /nfs/dbraw/zinc/05/76/11/470057611.db2.gz IVSXRPSBLDGMOD-MRXNPFEDSA-N 2 2 343.475 2.370 10 0 EEAELP CC(C)n1ncnc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000631052723 470057612 /nfs/dbraw/zinc/05/76/12/470057612.db2.gz IVSXRPSBLDGMOD-MRXNPFEDSA-N 2 2 343.475 2.370 10 0 EEAELP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000631634569 470175634 /nfs/dbraw/zinc/17/56/34/470175634.db2.gz KUUNQJVKQVTVHN-DOTOQJQBSA-N 2 2 334.460 2.345 10 0 EEAELP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000631634569 470175635 /nfs/dbraw/zinc/17/56/35/470175635.db2.gz KUUNQJVKQVTVHN-DOTOQJQBSA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000631886530 470189416 /nfs/dbraw/zinc/18/94/16/470189416.db2.gz JZODONARWIIGKC-DOMZBBRYSA-N 2 2 337.851 2.361 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000631886530 470189417 /nfs/dbraw/zinc/18/94/17/470189417.db2.gz JZODONARWIIGKC-DOMZBBRYSA-N 2 2 337.851 2.361 10 0 EEAELP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000633142630 470362131 /nfs/dbraw/zinc/36/21/31/470362131.db2.gz HUVVULFONCUQNO-GDBMZVCRSA-N 2 2 349.385 2.275 10 0 EEAELP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000633142630 470362136 /nfs/dbraw/zinc/36/21/36/470362136.db2.gz HUVVULFONCUQNO-GDBMZVCRSA-N 2 2 349.385 2.275 10 0 EEAELP Cn1ncnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000639330912 470469570 /nfs/dbraw/zinc/46/95/70/470469570.db2.gz YLEMWXWYLZCYNO-KRWDZBQOSA-N 2 2 325.460 2.207 10 0 EEAELP Cn1ncnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000639330912 470469574 /nfs/dbraw/zinc/46/95/74/470469574.db2.gz YLEMWXWYLZCYNO-KRWDZBQOSA-N 2 2 325.460 2.207 10 0 EEAELP Cc1cc(C)c(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)c(C)[nH+]1 ZINC000646408501 470629966 /nfs/dbraw/zinc/62/99/66/470629966.db2.gz USJJBSLQGZEBSR-UHFFFAOYSA-N 2 2 332.448 2.335 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899748 471010234 /nfs/dbraw/zinc/01/02/34/471010234.db2.gz UVJWJLDFFVQUPP-PKOBYXMFSA-N 2 2 345.487 2.118 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899748 471010239 /nfs/dbraw/zinc/01/02/39/471010239.db2.gz UVJWJLDFFVQUPP-PKOBYXMFSA-N 2 2 345.487 2.118 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccccc1Cn1cc[nH+]c1 ZINC000651048805 471033240 /nfs/dbraw/zinc/03/32/40/471033240.db2.gz WVFRLGAFHIURQF-UHFFFAOYSA-N 2 2 349.438 2.323 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000651101820 471048728 /nfs/dbraw/zinc/04/87/28/471048728.db2.gz HXKWOHZVFFDFIU-QGZVFWFLSA-N 2 2 332.492 2.389 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000657360403 471111600 /nfs/dbraw/zinc/11/16/00/471111600.db2.gz GJLXALOVYOFPQJ-KRWDZBQOSA-N 2 2 332.492 2.421 10 0 EEAELP COc1cc(OC)c(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000651845404 471141718 /nfs/dbraw/zinc/14/17/18/471141718.db2.gz LISWSCYBOAXPRN-UHFFFAOYSA-N 2 2 338.423 2.140 10 0 EEAELP COc1cc(OC)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1F ZINC000651845404 471141724 /nfs/dbraw/zinc/14/17/24/471141724.db2.gz LISWSCYBOAXPRN-UHFFFAOYSA-N 2 2 338.423 2.140 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000648316158 471161762 /nfs/dbraw/zinc/16/17/62/471161762.db2.gz JCQJBAJWLFKRDE-HIFRSBDPSA-N 2 2 329.435 2.097 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000648316158 471161766 /nfs/dbraw/zinc/16/17/66/471161766.db2.gz JCQJBAJWLFKRDE-HIFRSBDPSA-N 2 2 329.435 2.097 10 0 EEAELP C[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CS1(=O)=O ZINC000657637339 471195195 /nfs/dbraw/zinc/19/51/95/471195195.db2.gz HIRXGGSKQKTIOZ-HOCLYGCPSA-N 2 2 328.522 2.339 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000651550575 471208448 /nfs/dbraw/zinc/20/84/48/471208448.db2.gz ZVMULXQOCHKPGO-CRAIPNDOSA-N 2 2 342.487 2.237 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000651550575 471208457 /nfs/dbraw/zinc/20/84/57/471208457.db2.gz ZVMULXQOCHKPGO-CRAIPNDOSA-N 2 2 342.487 2.237 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C[NH3+] ZINC000652356906 471278324 /nfs/dbraw/zinc/27/83/24/471278324.db2.gz PERGLNPWEMYJAH-FOIQADDNSA-N 2 2 340.471 2.157 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C[C@H]1C[NH3+] ZINC000652356906 471278327 /nfs/dbraw/zinc/27/83/27/471278327.db2.gz PERGLNPWEMYJAH-FOIQADDNSA-N 2 2 340.471 2.157 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000658340033 471290012 /nfs/dbraw/zinc/29/00/12/471290012.db2.gz ALLFIIDCHXLYCJ-YSIASYRMSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000658340033 471290015 /nfs/dbraw/zinc/29/00/15/471290015.db2.gz ALLFIIDCHXLYCJ-YSIASYRMSA-N 2 2 331.504 2.350 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@@H]3CCOC3(C)C)c2cc1C ZINC000663371521 471343678 /nfs/dbraw/zinc/34/36/78/471343678.db2.gz UIOVTMAEYZNAPW-HOTGVXAUSA-N 2 2 331.460 2.419 10 0 EEAELP CC(C)C[NH2+]C1(CO)CCN(Cc2cc(OC(C)C)cc[nH+]2)CC1 ZINC000660695178 471447301 /nfs/dbraw/zinc/44/73/01/471447301.db2.gz FEMWIMCYOPKFKC-UHFFFAOYSA-N 2 2 335.492 2.441 10 0 EEAELP C[NH+](C)C1CC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000655792388 471483707 /nfs/dbraw/zinc/48/37/07/471483707.db2.gz MEGPJBMALGOFIY-UHFFFAOYSA-N 2 2 341.249 2.403 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)c1 ZINC000653105956 471489323 /nfs/dbraw/zinc/48/93/23/471489323.db2.gz NYORLMNHCLTCJG-RBUKOAKNSA-N 2 2 327.472 2.170 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)c2cc1OC ZINC000663820708 471532689 /nfs/dbraw/zinc/53/26/89/471532689.db2.gz YKXOYCABWNHAGD-KGLIPLIRSA-N 2 2 345.443 2.143 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)c2cc1OC ZINC000663820708 471532691 /nfs/dbraw/zinc/53/26/91/471532691.db2.gz YKXOYCABWNHAGD-KGLIPLIRSA-N 2 2 345.443 2.143 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000659455882 471635411 /nfs/dbraw/zinc/63/54/11/471635411.db2.gz GIKLSEOZRGZXJT-HUUCEWRRSA-N 2 2 342.434 2.240 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000667355690 471752780 /nfs/dbraw/zinc/75/27/80/471752780.db2.gz AVCJKZLWLLVVGN-CJNGLKHVSA-N 2 2 330.432 2.307 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000667355689 471752807 /nfs/dbraw/zinc/75/28/07/471752807.db2.gz AVCJKZLWLLVVGN-BBRMVZONSA-N 2 2 330.432 2.307 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000653848209 471759690 /nfs/dbraw/zinc/75/96/90/471759690.db2.gz YBUYEAKKNVMLHX-CYBMUJFWSA-N 2 2 332.366 2.477 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000653848209 471759696 /nfs/dbraw/zinc/75/96/96/471759696.db2.gz YBUYEAKKNVMLHX-CYBMUJFWSA-N 2 2 332.366 2.477 10 0 EEAELP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)C1O ZINC000661627951 471832221 /nfs/dbraw/zinc/83/22/21/471832221.db2.gz RSMHGVALQFMGCK-LMMKCTJWSA-N 2 2 332.488 2.226 10 0 EEAELP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)C1O ZINC000661627951 471832229 /nfs/dbraw/zinc/83/22/29/471832229.db2.gz RSMHGVALQFMGCK-LMMKCTJWSA-N 2 2 332.488 2.226 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(C(N)=O)cc2)cc1 ZINC000656790351 471841515 /nfs/dbraw/zinc/84/15/15/471841515.db2.gz WNLSEVDHMIZKBS-OALUTQOASA-N 2 2 339.439 2.029 10 0 EEAELP C[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683414 471866037 /nfs/dbraw/zinc/86/60/37/471866037.db2.gz PEDYSIVFIXSYJI-VQIMIIECSA-N 2 2 345.535 2.145 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683414 471866043 /nfs/dbraw/zinc/86/60/43/471866043.db2.gz PEDYSIVFIXSYJI-VQIMIIECSA-N 2 2 345.535 2.145 10 0 EEAELP C[C@@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683411 471866310 /nfs/dbraw/zinc/86/63/10/471866310.db2.gz PEDYSIVFIXSYJI-APWZRJJASA-N 2 2 345.535 2.145 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683411 471866314 /nfs/dbraw/zinc/86/63/14/471866314.db2.gz PEDYSIVFIXSYJI-APWZRJJASA-N 2 2 345.535 2.145 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC[NH+](C)C3)n2)O1 ZINC000665002947 471923351 /nfs/dbraw/zinc/92/33/51/471923351.db2.gz PQEIFBAYUBZAEA-HYVNUMGLSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC[NH+](C)C3)n2)O1 ZINC000665002947 471923357 /nfs/dbraw/zinc/92/33/57/471923357.db2.gz PQEIFBAYUBZAEA-HYVNUMGLSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC[N@H+](C)C3)n2)O1 ZINC000665002947 471923364 /nfs/dbraw/zinc/92/33/64/471923364.db2.gz PQEIFBAYUBZAEA-HYVNUMGLSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](c2noc([C@H]3CC[N@@H+](C)C3)n2)O1 ZINC000665002947 471923369 /nfs/dbraw/zinc/92/33/69/471923369.db2.gz PQEIFBAYUBZAEA-HYVNUMGLSA-N 2 2 342.443 2.451 10 0 EEAELP CC[NH+](CC)CCOCCNC(=O)Nc1c[nH+]c2c(C)cccn12 ZINC000667955321 471961854 /nfs/dbraw/zinc/96/18/54/471961854.db2.gz XSBCPFJQFAPOPY-UHFFFAOYSA-N 2 2 333.436 2.123 10 0 EEAELP COc1ccc(CC[N@H+](CC(C)C)C[C@H]2C[NH2+]CCO2)cc1OC ZINC000662255969 472044411 /nfs/dbraw/zinc/04/44/11/472044411.db2.gz SWGIPESLHKPYCN-QGZVFWFLSA-N 2 2 336.476 2.193 10 0 EEAELP COc1ccc(CC[N@@H+](CC(C)C)C[C@H]2C[NH2+]CCO2)cc1OC ZINC000662255969 472044415 /nfs/dbraw/zinc/04/44/15/472044415.db2.gz SWGIPESLHKPYCN-QGZVFWFLSA-N 2 2 336.476 2.193 10 0 EEAELP CO[C@H](C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1)C1CCCCC1 ZINC000662275515 472052882 /nfs/dbraw/zinc/05/28/82/472052882.db2.gz BPOWQUMHOYVKMZ-QGZVFWFLSA-N 2 2 347.507 2.156 10 0 EEAELP c1ccc(-c2nnc([C@@H]3CCC[N@H+]3C[C@@H]3CCC4(C[NH2+]C4)O3)[nH]2)cc1 ZINC000662279045 472054642 /nfs/dbraw/zinc/05/46/42/472054642.db2.gz FGGAKSIGHNQQBT-HOTGVXAUSA-N 2 2 339.443 2.130 10 0 EEAELP c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3C[C@@H]3CCC4(C[NH2+]C4)O3)[nH]2)cc1 ZINC000662279045 472054646 /nfs/dbraw/zinc/05/46/46/472054646.db2.gz FGGAKSIGHNQQBT-HOTGVXAUSA-N 2 2 339.443 2.130 10 0 EEAELP CCN(C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662319202 472068909 /nfs/dbraw/zinc/06/89/09/472068909.db2.gz KOCHMBKAVWLLCL-SFHVURJKSA-N 2 2 333.476 2.082 10 0 EEAELP CCN(C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662319202 472068914 /nfs/dbraw/zinc/06/89/14/472068914.db2.gz KOCHMBKAVWLLCL-SFHVURJKSA-N 2 2 333.476 2.082 10 0 EEAELP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC[C@H]1F ZINC000662323783 472070931 /nfs/dbraw/zinc/07/09/31/472070931.db2.gz UWBYQTIHTDPHRC-CHWSQXEVSA-N 2 2 344.228 2.149 10 0 EEAELP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC[C@H]1F ZINC000662323783 472070934 /nfs/dbraw/zinc/07/09/34/472070934.db2.gz UWBYQTIHTDPHRC-CHWSQXEVSA-N 2 2 344.228 2.149 10 0 EEAELP CCCCCc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000668640839 472205333 /nfs/dbraw/zinc/20/53/33/472205333.db2.gz XGNBQMKJDWTPAP-INIZCTEOSA-N 2 2 347.507 2.041 10 0 EEAELP CCCCCc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[nH]n1 ZINC000668640839 472205340 /nfs/dbraw/zinc/20/53/40/472205340.db2.gz XGNBQMKJDWTPAP-INIZCTEOSA-N 2 2 347.507 2.041 10 0 EEAELP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668677117 472221320 /nfs/dbraw/zinc/22/13/20/472221320.db2.gz JJVLKZUUWWBFDW-MRXNPFEDSA-N 2 2 332.492 2.485 10 0 EEAELP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668677117 472221326 /nfs/dbraw/zinc/22/13/26/472221326.db2.gz JJVLKZUUWWBFDW-MRXNPFEDSA-N 2 2 332.492 2.485 10 0 EEAELP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668677117 472221331 /nfs/dbraw/zinc/22/13/31/472221331.db2.gz JJVLKZUUWWBFDW-MRXNPFEDSA-N 2 2 332.492 2.485 10 0 EEAELP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668677117 472221334 /nfs/dbraw/zinc/22/13/34/472221334.db2.gz JJVLKZUUWWBFDW-MRXNPFEDSA-N 2 2 332.492 2.485 10 0 EEAELP C[C@@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000662935762 472302924 /nfs/dbraw/zinc/30/29/24/472302924.db2.gz ZDILJWUXUVMWNN-CQSZACIVSA-N 2 2 326.444 2.453 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000640923953 485484921 /nfs/dbraw/zinc/48/49/21/485484921.db2.gz VZEOFWTVWXGNTC-VYDXJSESSA-N 2 2 345.491 2.106 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000651364146 485538764 /nfs/dbraw/zinc/53/87/64/485538764.db2.gz UPHSBSLAOKKVPI-MRXNPFEDSA-N 2 2 335.496 2.075 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000651364146 485538769 /nfs/dbraw/zinc/53/87/69/485538769.db2.gz UPHSBSLAOKKVPI-MRXNPFEDSA-N 2 2 335.496 2.075 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000651364146 485538775 /nfs/dbraw/zinc/53/87/75/485538775.db2.gz UPHSBSLAOKKVPI-MRXNPFEDSA-N 2 2 335.496 2.075 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000651364146 485538778 /nfs/dbraw/zinc/53/87/78/485538778.db2.gz UPHSBSLAOKKVPI-MRXNPFEDSA-N 2 2 335.496 2.075 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000673835626 485549859 /nfs/dbraw/zinc/54/98/59/485549859.db2.gz LEBCJOCHFPHJEH-QZTJIDSGSA-N 2 2 333.451 2.391 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000673835626 485549865 /nfs/dbraw/zinc/54/98/65/485549865.db2.gz LEBCJOCHFPHJEH-QZTJIDSGSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000673835626 485549870 /nfs/dbraw/zinc/54/98/70/485549870.db2.gz LEBCJOCHFPHJEH-QZTJIDSGSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000673835626 485549877 /nfs/dbraw/zinc/54/98/77/485549877.db2.gz LEBCJOCHFPHJEH-QZTJIDSGSA-N 2 2 333.451 2.391 10 0 EEAELP O=C(C[N@H+]1CC[C@H]1c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000674010426 485611344 /nfs/dbraw/zinc/61/13/44/485611344.db2.gz RKIZRIFFCGBENO-SFHVURJKSA-N 2 2 331.435 2.316 10 0 EEAELP O=C(C[N@@H+]1CC[C@H]1c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000674010426 485611350 /nfs/dbraw/zinc/61/13/50/485611350.db2.gz RKIZRIFFCGBENO-SFHVURJKSA-N 2 2 331.435 2.316 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC000679227173 485624540 /nfs/dbraw/zinc/62/45/40/485624540.db2.gz XBFRKMCNIITXJD-WMZOPIPTSA-N 2 2 333.451 2.011 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC000679227173 485624546 /nfs/dbraw/zinc/62/45/46/485624546.db2.gz XBFRKMCNIITXJD-WMZOPIPTSA-N 2 2 333.451 2.011 10 0 EEAELP Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(C)s1 ZINC000679993434 485864830 /nfs/dbraw/zinc/86/48/30/485864830.db2.gz GSZILQSOWJIXOH-BXUZGUMPSA-N 2 2 347.488 2.335 10 0 EEAELP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000675254972 485940735 /nfs/dbraw/zinc/94/07/35/485940735.db2.gz DAERPZYALFOHAU-ICSRJNTNSA-N 2 2 342.487 2.358 10 0 EEAELP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000675254972 485940739 /nfs/dbraw/zinc/94/07/39/485940739.db2.gz DAERPZYALFOHAU-ICSRJNTNSA-N 2 2 342.487 2.358 10 0 EEAELP Cc1nn(C)cc1[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000675254972 485940743 /nfs/dbraw/zinc/94/07/43/485940743.db2.gz DAERPZYALFOHAU-ICSRJNTNSA-N 2 2 342.487 2.358 10 0 EEAELP Cc1nn(C)cc1[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000675254972 485940745 /nfs/dbraw/zinc/94/07/45/485940745.db2.gz DAERPZYALFOHAU-ICSRJNTNSA-N 2 2 342.487 2.358 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)C2)CC1 ZINC000671721227 485985261 /nfs/dbraw/zinc/98/52/61/485985261.db2.gz SXYQDECRTJYSTK-RDBSUJKOSA-N 2 2 347.425 2.250 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@H](C(F)(F)F)C3)C2)CC1 ZINC000671721227 485985266 /nfs/dbraw/zinc/98/52/66/485985266.db2.gz SXYQDECRTJYSTK-RDBSUJKOSA-N 2 2 347.425 2.250 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000685011011 486065323 /nfs/dbraw/zinc/06/53/23/486065323.db2.gz QNJLJXPYPNSPKI-UHFFFAOYSA-N 2 2 336.399 2.392 10 0 EEAELP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(s1)CCC2 ZINC000675886432 486089376 /nfs/dbraw/zinc/08/93/76/486089376.db2.gz RQVPPBUOGXHBOV-RDJZCZTQSA-N 2 2 349.544 2.294 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000682389449 486460816 /nfs/dbraw/zinc/46/08/16/486460816.db2.gz PKDWZTGEHNQACZ-KRWDZBQOSA-N 2 2 335.879 2.299 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000682389449 486460820 /nfs/dbraw/zinc/46/08/20/486460820.db2.gz PKDWZTGEHNQACZ-KRWDZBQOSA-N 2 2 335.879 2.299 10 0 EEAELP C[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000682389449 486460824 /nfs/dbraw/zinc/46/08/24/486460824.db2.gz PKDWZTGEHNQACZ-KRWDZBQOSA-N 2 2 335.879 2.299 10 0 EEAELP C[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000682389449 486460828 /nfs/dbraw/zinc/46/08/28/486460828.db2.gz PKDWZTGEHNQACZ-KRWDZBQOSA-N 2 2 335.879 2.299 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc(CC[NH+](C)C)cc1)CC2 ZINC000682431431 486467895 /nfs/dbraw/zinc/46/78/95/486467895.db2.gz MKBURFAZHATKHU-UHFFFAOYSA-N 2 2 341.459 2.021 10 0 EEAELP CO[C@@H](C)c1noc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000678298977 486615014 /nfs/dbraw/zinc/61/50/14/486615014.db2.gz XDWSMFGFTODCNC-AWEZNQCLSA-N 2 2 348.447 2.349 10 0 EEAELP CO[C@@H](C)c1noc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000678298977 486615017 /nfs/dbraw/zinc/61/50/17/486615017.db2.gz XDWSMFGFTODCNC-AWEZNQCLSA-N 2 2 348.447 2.349 10 0 EEAELP Cc1ccn(-c2ccccc2C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000570200289 518191238 /nfs/dbraw/zinc/19/12/38/518191238.db2.gz XFBQCUVFVQZECE-RBUKOAKNSA-N 2 2 326.444 2.037 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407453 527932459 /nfs/dbraw/zinc/93/24/59/527932459.db2.gz VJQBFMWLWLYAPA-CABCVRRESA-N 2 2 349.441 2.497 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407453 527932463 /nfs/dbraw/zinc/93/24/63/527932463.db2.gz VJQBFMWLWLYAPA-CABCVRRESA-N 2 2 349.441 2.497 10 0 EEAELP CC(C)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000438484340 535197294 /nfs/dbraw/zinc/19/72/94/535197294.db2.gz QRTGLLDNRPEZEW-KRWDZBQOSA-N 2 2 335.517 2.370 10 0 EEAELP CC(C)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000438484340 535197298 /nfs/dbraw/zinc/19/72/98/535197298.db2.gz QRTGLLDNRPEZEW-KRWDZBQOSA-N 2 2 335.517 2.370 10 0 EEAELP C[NH+]1CCC(CNC(=O)COC2(C)CCC2)([NH+]2CCCCC2)CC1 ZINC000773064127 577313649 /nfs/dbraw/zinc/31/36/49/577313649.db2.gz NKGLDBPVFVNEEE-UHFFFAOYSA-N 2 2 337.508 2.012 10 0 EEAELP COC(=O)[C@@H]1[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1(F)F ZINC000894777497 683086871 /nfs/dbraw/zinc/08/68/71/683086871.db2.gz QZIRLESCOVTLGB-CABCVRRESA-N 2 2 341.402 2.430 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)(F)F)cc1 ZINC000925533845 684148156 /nfs/dbraw/zinc/14/81/56/684148156.db2.gz HIDWRIUPYCXLID-KBPBESRZSA-N 2 2 330.350 2.493 10 0 EEAELP c1cn(Cc2nc(-c3cn(C[C@H]4CCCC[NH2+]C4)nn3)cs2)c[nH+]1 ZINC000899754780 693858264 /nfs/dbraw/zinc/85/82/64/693858264.db2.gz BJVGNXXRCJGOIU-ZDUSSCGKSA-N 2 2 343.460 2.036 10 0 EEAELP Cn1c(Cl)nc(Cl)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000841043121 692811553 /nfs/dbraw/zinc/81/15/53/692811553.db2.gz REJYALXAYQALKF-UHFFFAOYSA-N 2 2 328.247 2.391 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ccc(Cl)nc1)NC(=O)Cc1c[nH+]cn1C ZINC001485743098 1191918622 /nfs/dbraw/zinc/91/86/22/1191918622.db2.gz BXUPQXYORGYFNF-CYBMUJFWSA-N 2 2 349.866 2.086 10 0 EEAELP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266748438 1177342176 /nfs/dbraw/zinc/34/21/76/1177342176.db2.gz FFJZWHCMVKGKQL-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001691062849 1177493396 /nfs/dbraw/zinc/49/33/96/1177493396.db2.gz WHHBKLSKMZMKBH-YPMHNXCESA-N 2 2 345.274 2.069 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CC[C@@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001691062849 1177493399 /nfs/dbraw/zinc/49/33/99/1177493399.db2.gz WHHBKLSKMZMKBH-YPMHNXCESA-N 2 2 345.274 2.069 10 0 EEAELP CCC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cccc(Cl)n1 ZINC001691196051 1177704299 /nfs/dbraw/zinc/70/42/99/1177704299.db2.gz BDDUSTFSPIMLHE-UHFFFAOYSA-N 2 2 349.866 2.337 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cccc(Cl)n1 ZINC001691196051 1177704302 /nfs/dbraw/zinc/70/43/02/1177704302.db2.gz BDDUSTFSPIMLHE-UHFFFAOYSA-N 2 2 349.866 2.337 10 0 EEAELP CC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001267213643 1178510675 /nfs/dbraw/zinc/51/06/75/1178510675.db2.gz SMKSQVRPVZSFFR-XDXAGZTOSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001267213643 1178510677 /nfs/dbraw/zinc/51/06/77/1178510677.db2.gz SMKSQVRPVZSFFR-XDXAGZTOSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267213643 1178510679 /nfs/dbraw/zinc/51/06/79/1178510679.db2.gz SMKSQVRPVZSFFR-XDXAGZTOSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267213643 1178510681 /nfs/dbraw/zinc/51/06/81/1178510681.db2.gz SMKSQVRPVZSFFR-XDXAGZTOSA-N 2 2 337.508 2.034 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[NH2+]Cc1oc(C)nc1C ZINC001267374837 1178894847 /nfs/dbraw/zinc/89/48/47/1178894847.db2.gz NXXWTQKXUCLAIP-CYBMUJFWSA-N 2 2 347.463 2.250 10 0 EEAELP CN(CC[NH2+]CCc1ccccc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267375804 1178905530 /nfs/dbraw/zinc/90/55/30/1178905530.db2.gz WNSSHLHPMBDXPI-UHFFFAOYSA-N 2 2 340.471 2.053 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001267439281 1179012202 /nfs/dbraw/zinc/01/22/02/1179012202.db2.gz ARUNYBQVAANVEX-HNNXBMFYSA-N 2 2 328.460 2.399 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001267439281 1179012209 /nfs/dbraw/zinc/01/22/09/1179012209.db2.gz ARUNYBQVAANVEX-HNNXBMFYSA-N 2 2 328.460 2.399 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001267439862 1179013488 /nfs/dbraw/zinc/01/34/88/1179013488.db2.gz XJVGFEHCXUJTAJ-INIZCTEOSA-N 2 2 328.460 2.453 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001267439862 1179013494 /nfs/dbraw/zinc/01/34/94/1179013494.db2.gz XJVGFEHCXUJTAJ-INIZCTEOSA-N 2 2 328.460 2.453 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC[C@H]1CCCC1(F)F ZINC001267461437 1179053056 /nfs/dbraw/zinc/05/30/56/1179053056.db2.gz PZOVTLAXBPSBGG-CYBMUJFWSA-N 2 2 328.407 2.134 10 0 EEAELP C[N@H+](CCCCC(F)(F)F)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267595088 1179595494 /nfs/dbraw/zinc/59/54/94/1179595494.db2.gz APRDKTBJPIIHNM-CQSZACIVSA-N 2 2 346.397 2.396 10 0 EEAELP C[N@@H+](CCCCC(F)(F)F)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267595088 1179595502 /nfs/dbraw/zinc/59/55/02/1179595502.db2.gz APRDKTBJPIIHNM-CQSZACIVSA-N 2 2 346.397 2.396 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C)n1)[NH+](CC)CC ZINC001481055883 1179643980 /nfs/dbraw/zinc/64/39/80/1179643980.db2.gz CWOGJZSKRDNSQP-SJORKVTESA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C)n1)[NH+](CC)CC ZINC001481055883 1179643983 /nfs/dbraw/zinc/64/39/83/1179643983.db2.gz CWOGJZSKRDNSQP-SJORKVTESA-N 2 2 336.480 2.184 10 0 EEAELP CC(C)CCC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001481175743 1179998058 /nfs/dbraw/zinc/99/80/58/1179998058.db2.gz UJOKVMGVEYGQPA-INIZCTEOSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001481175743 1179998064 /nfs/dbraw/zinc/99/80/64/1179998064.db2.gz UJOKVMGVEYGQPA-INIZCTEOSA-N 2 2 332.492 2.462 10 0 EEAELP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001267706730 1180224364 /nfs/dbraw/zinc/22/43/64/1180224364.db2.gz QLAGNFNMXJYVIT-RLFYNMQTSA-N 2 2 345.491 2.265 10 0 EEAELP CCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[NH+]2C)[nH]n1 ZINC001267706730 1180224368 /nfs/dbraw/zinc/22/43/68/1180224368.db2.gz QLAGNFNMXJYVIT-RLFYNMQTSA-N 2 2 345.491 2.265 10 0 EEAELP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001267706730 1180224373 /nfs/dbraw/zinc/22/43/73/1180224373.db2.gz QLAGNFNMXJYVIT-RLFYNMQTSA-N 2 2 345.491 2.265 10 0 EEAELP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001267706730 1180224379 /nfs/dbraw/zinc/22/43/79/1180224379.db2.gz QLAGNFNMXJYVIT-RLFYNMQTSA-N 2 2 345.491 2.265 10 0 EEAELP Cc1oncc1C[NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001481263217 1180508947 /nfs/dbraw/zinc/50/89/47/1180508947.db2.gz XUGRKFDUWRCKDP-UHFFFAOYSA-N 2 2 339.399 2.031 10 0 EEAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC[C@@H]1CCOC1 ZINC001267811537 1180566494 /nfs/dbraw/zinc/56/64/94/1180566494.db2.gz KZXFQZVXZRAXIC-CVEARBPZSA-N 2 2 344.459 2.249 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]C/C(Cl)=C/Cl ZINC001481288444 1180878227 /nfs/dbraw/zinc/87/82/27/1180878227.db2.gz YCFKOZIDRMEIGR-WQLSENKSSA-N 2 2 333.263 2.374 10 0 EEAELP C[N@H+](CCC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481490197 1181554259 /nfs/dbraw/zinc/55/42/59/1181554259.db2.gz DAMMAQCPRKHHRZ-IRXDYDNUSA-N 2 2 330.476 2.026 10 0 EEAELP C[N@@H+](CCC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481490197 1181554264 /nfs/dbraw/zinc/55/42/64/1181554264.db2.gz DAMMAQCPRKHHRZ-IRXDYDNUSA-N 2 2 330.476 2.026 10 0 EEAELP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H]1CCc2c1c(F)ccc2F ZINC001481676478 1182191463 /nfs/dbraw/zinc/19/14/63/1182191463.db2.gz HIAXHXMVHGQLDD-DCGLDWPTSA-N 2 2 349.425 2.189 10 0 EEAELP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@H]1CCc2c1c(F)ccc2F ZINC001481676478 1182191466 /nfs/dbraw/zinc/19/14/66/1182191466.db2.gz HIAXHXMVHGQLDD-DCGLDWPTSA-N 2 2 349.425 2.189 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268377344 1182392652 /nfs/dbraw/zinc/39/26/52/1182392652.db2.gz IXLPOAMSRRIFAI-CABCVRRESA-N 2 2 344.434 2.269 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001268383543 1182416456 /nfs/dbraw/zinc/41/64/56/1182416456.db2.gz AELVBHWXBMDFMR-INIZCTEOSA-N 2 2 328.460 2.346 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CCn1cc[nH+]c1 ZINC001268384759 1182419855 /nfs/dbraw/zinc/41/98/55/1182419855.db2.gz RDIRTLGTVIDSRI-ZDUSSCGKSA-N 2 2 335.839 2.006 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001481745115 1182498678 /nfs/dbraw/zinc/49/86/78/1182498678.db2.gz RHFINBLYJSXDAU-MRXNPFEDSA-N 2 2 345.447 2.001 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001481745115 1182498681 /nfs/dbraw/zinc/49/86/81/1182498681.db2.gz RHFINBLYJSXDAU-MRXNPFEDSA-N 2 2 345.447 2.001 10 0 EEAELP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268460562 1182744341 /nfs/dbraw/zinc/74/43/41/1182744341.db2.gz VNECEUIGNRRYQY-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1cccc(C)c1 ZINC001481826402 1182756463 /nfs/dbraw/zinc/75/64/63/1182756463.db2.gz PXVNZKYNQYMMFG-MSOLQXFVSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1nc(C[NH2+]CCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cs1 ZINC001482005968 1183111505 /nfs/dbraw/zinc/11/15/05/1183111505.db2.gz HCYZISHVBVLDNC-UHFFFAOYSA-N 2 2 347.488 2.136 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1=CCCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268562380 1183260760 /nfs/dbraw/zinc/26/07/60/1183260760.db2.gz VYOOZFDEDFYHGM-LAQIPUCWSA-N 2 2 328.460 2.208 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC1=CCCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001268562379 1183261023 /nfs/dbraw/zinc/26/10/23/1183261023.db2.gz VYOOZFDEDFYHGM-CHYADLBTSA-N 2 2 328.460 2.208 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CC=C(Cl)Cl ZINC001482119108 1183355114 /nfs/dbraw/zinc/35/51/14/1183355114.db2.gz TWMKMRIKWDKLLT-RYUDHWBXSA-N 2 2 345.274 2.106 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1C[NH+](Cc2cc3ccccc3s2)C1 ZINC001268917614 1183814720 /nfs/dbraw/zinc/81/47/20/1183814720.db2.gz ZPJZQCPVOAHWSW-UHFFFAOYSA-N 2 2 340.452 2.346 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)no1 ZINC001268962499 1183859579 /nfs/dbraw/zinc/85/95/79/1183859579.db2.gz RUZNZYDIQKOKDG-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]CC[C@H]2CCCCO2)CC1 ZINC001269929244 1184724724 /nfs/dbraw/zinc/72/47/24/1184724724.db2.gz ZVFKTNQYDDDDDU-QGZVFWFLSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@H](C)C[NH2+]CC[C@@H]2CCOC2)c(C)[nH+]1 ZINC001270459847 1185109178 /nfs/dbraw/zinc/10/91/78/1185109178.db2.gz FLBRDFBLOQYEJO-CXAGYDPISA-N 2 2 333.476 2.389 10 0 EEAELP CC[C@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001482464422 1185949191 /nfs/dbraw/zinc/94/91/91/1185949191.db2.gz ZEQSSFGQFPVMBD-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001271154047 1185977226 /nfs/dbraw/zinc/97/72/26/1185977226.db2.gz BQOLFGYSWFFULA-MRXNPFEDSA-N 2 2 344.459 2.085 10 0 EEAELP CC(C)(C)CCC[NH2+]C[C@@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482742436 1187700950 /nfs/dbraw/zinc/70/09/50/1187700950.db2.gz QTZDQAJOPNLHLE-CQSZACIVSA-N 2 2 332.448 2.070 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CC[NH2+]Cc1cnccc1C ZINC001482843714 1187762979 /nfs/dbraw/zinc/76/29/79/1187762979.db2.gz RIOFDKJPBHDKMU-HNNXBMFYSA-N 2 2 342.443 2.021 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H](C)CC[NH2+]CCC3CC3)[nH+]c12 ZINC001482880553 1187804422 /nfs/dbraw/zinc/80/44/22/1187804422.db2.gz QPOFDZSKZXRFNA-OAHLLOKOSA-N 2 2 328.460 2.470 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1Cl)C(=O)Cc1c[nH+]cn1C ZINC001482962199 1187895026 /nfs/dbraw/zinc/89/50/26/1187895026.db2.gz GUBUOWPRYRQRTN-UHFFFAOYSA-N 2 2 348.878 2.297 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001483028416 1188039753 /nfs/dbraw/zinc/03/97/53/1188039753.db2.gz GMVSESFOACWZSU-BDUNBXCCSA-N 2 2 330.476 2.288 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001483081818 1188443487 /nfs/dbraw/zinc/44/34/87/1188443487.db2.gz FQGYAXGAEASCEF-NSCUHMNNSA-N 2 2 348.397 2.362 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001483100142 1188477646 /nfs/dbraw/zinc/47/76/46/1188477646.db2.gz AKKUYJBQVMRXKE-JXCVUKRWSA-N 2 2 338.455 2.265 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCCCC[C@@H]([NH2+]CCCO)C2)c(C)[nH+]1 ZINC001691626237 1188729920 /nfs/dbraw/zinc/72/99/20/1188729920.db2.gz XZFKLSWLEVSCLS-QGZVFWFLSA-N 2 2 333.476 2.364 10 0 EEAELP C[C@H](C[NH2+]Cc1ccccc1Cl)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483145431 1188769075 /nfs/dbraw/zinc/76/90/75/1188769075.db2.gz ZFNZXACKRGNJHB-UKRRQHHQSA-N 2 2 346.862 2.393 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cnccc2C)c[nH+]1 ZINC001409401218 1189626549 /nfs/dbraw/zinc/62/65/49/1189626549.db2.gz WONZPDJLNKHIDY-JKSUJKDBSA-N 2 2 343.475 2.313 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1ccsc1)C(=O)Cc1c[nH+]cn1C ZINC001409490023 1189869990 /nfs/dbraw/zinc/86/99/90/1189869990.db2.gz DKSLXFFQJJHVLV-UHFFFAOYSA-N 2 2 334.489 2.299 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC001409694787 1190203951 /nfs/dbraw/zinc/20/39/51/1190203951.db2.gz QCPCMZRPHSBUMK-SJORKVTESA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC001409694787 1190203955 /nfs/dbraw/zinc/20/39/55/1190203955.db2.gz QCPCMZRPHSBUMK-SJORKVTESA-N 2 2 340.471 2.125 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001483240943 1190271276 /nfs/dbraw/zinc/27/12/76/1190271276.db2.gz VJQLOVOREQMKMT-AWEZNQCLSA-N 2 2 345.418 2.397 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@@H+](C)CCOCC(C)C)ccn12 ZINC001483338177 1190368184 /nfs/dbraw/zinc/36/81/84/1190368184.db2.gz BYPNNFYDPNGUIS-HNNXBMFYSA-N 2 2 346.475 2.365 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[N@H+](C)CCOCC(C)C)ccn12 ZINC001483338177 1190368189 /nfs/dbraw/zinc/36/81/89/1190368189.db2.gz BYPNNFYDPNGUIS-HNNXBMFYSA-N 2 2 346.475 2.365 10 0 EEAELP O=C(N[C@H](C[NH2+]CC1CCCC1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483569747 1190558821 /nfs/dbraw/zinc/55/88/21/1190558821.db2.gz CCMYFSQPXURHHL-IAGOWNOFSA-N 2 2 330.476 2.120 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001272654659 1190966459 /nfs/dbraw/zinc/96/64/59/1190966459.db2.gz ZTLDZFQBYKIAAC-AWEZNQCLSA-N 2 2 346.397 2.444 10 0 EEAELP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483806039 1191051866 /nfs/dbraw/zinc/05/18/66/1191051866.db2.gz KWTAOKNFKCGUQG-OOKSDGMUSA-N 2 2 348.491 2.372 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001484052138 1191176683 /nfs/dbraw/zinc/17/66/83/1191176683.db2.gz FKISVEMYTKWFNJ-SFHVURJKSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001484052138 1191176686 /nfs/dbraw/zinc/17/66/86/1191176686.db2.gz FKISVEMYTKWFNJ-SFHVURJKSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484173990 1191259758 /nfs/dbraw/zinc/25/97/58/1191259758.db2.gz JAGXFYCDCNSTNP-IBGZPJMESA-N 2 2 341.459 2.005 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484173990 1191259759 /nfs/dbraw/zinc/25/97/59/1191259759.db2.gz JAGXFYCDCNSTNP-IBGZPJMESA-N 2 2 341.459 2.005 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001691647198 1191344166 /nfs/dbraw/zinc/34/41/66/1191344166.db2.gz XWJRSBAVUYAVOU-NVXWUHKLSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CCCCCF)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001691647198 1191344168 /nfs/dbraw/zinc/34/41/68/1191344168.db2.gz XWJRSBAVUYAVOU-NVXWUHKLSA-N 2 2 336.455 2.118 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@@H](CC[NH2+]CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001484540528 1191405974 /nfs/dbraw/zinc/40/59/74/1191405974.db2.gz DDPFZSPUIRGPFX-FUHWJXTLSA-N 2 2 348.491 2.089 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001484716089 1191480195 /nfs/dbraw/zinc/48/01/95/1191480195.db2.gz CEEDMPIFCPPBEY-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001484716089 1191480197 /nfs/dbraw/zinc/48/01/97/1191480197.db2.gz CEEDMPIFCPPBEY-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)[NH2+]CC1CCOCC1 ZINC001485162890 1191675070 /nfs/dbraw/zinc/67/50/70/1191675070.db2.gz MQXZCAKWOUJJTA-CHWSQXEVSA-N 2 2 330.432 2.086 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCOC(C)C)[nH+]c12 ZINC001485198518 1191682501 /nfs/dbraw/zinc/68/25/01/1191682501.db2.gz KITHBANVNCRMHZ-HOTGVXAUSA-N 2 2 346.475 2.093 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001486199613 1193737553 /nfs/dbraw/zinc/73/75/53/1193737553.db2.gz CAWBQGOKBHMOGF-JKSUJKDBSA-N 2 2 332.492 2.292 10 0 EEAELP CCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001486235727 1193762442 /nfs/dbraw/zinc/76/24/42/1193762442.db2.gz FNMMPNVRGPRXKP-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001486422698 1193936778 /nfs/dbraw/zinc/93/67/78/1193936778.db2.gz MBINFBSAMYCUSW-HNNXBMFYSA-N 2 2 349.504 2.011 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1F ZINC001486525673 1194048531 /nfs/dbraw/zinc/04/85/31/1194048531.db2.gz TUSGDQVDWRCDRO-UHFFFAOYSA-N 2 2 348.422 2.060 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH2+]Cc2ccon2)cc1F ZINC001486525673 1194048535 /nfs/dbraw/zinc/04/85/35/1194048535.db2.gz TUSGDQVDWRCDRO-UHFFFAOYSA-N 2 2 348.422 2.060 10 0 EEAELP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001273107500 1194390912 /nfs/dbraw/zinc/39/09/12/1194390912.db2.gz ZQMOANZAHBHOML-QDLOVBKTSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001410439744 1197901242 /nfs/dbraw/zinc/90/12/42/1197901242.db2.gz BGRBJDJCPHGGQA-RYUDHWBXSA-N 2 2 349.504 2.298 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001410439744 1197901249 /nfs/dbraw/zinc/90/12/49/1197901249.db2.gz BGRBJDJCPHGGQA-RYUDHWBXSA-N 2 2 349.504 2.298 10 0 EEAELP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001410489677 1198043438 /nfs/dbraw/zinc/04/34/38/1198043438.db2.gz ATSWZCMFRHCTQM-CQSZACIVSA-N 2 2 336.480 2.004 10 0 EEAELP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C[N@@H+]1Cc1ccccc1 ZINC000865660390 1198320811 /nfs/dbraw/zinc/32/08/11/1198320811.db2.gz ZFAOTYDZXOWFAU-NEWSRXKRSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C[N@H+]1Cc1ccccc1 ZINC000865660390 1198320819 /nfs/dbraw/zinc/32/08/19/1198320819.db2.gz ZFAOTYDZXOWFAU-NEWSRXKRSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)C[NH+]1Cc1ccccc1 ZINC000865660390 1198320824 /nfs/dbraw/zinc/32/08/24/1198320824.db2.gz ZFAOTYDZXOWFAU-NEWSRXKRSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C[NH+]1Cc1ccccc1 ZINC000865660390 1198320829 /nfs/dbraw/zinc/32/08/29/1198320829.db2.gz ZFAOTYDZXOWFAU-NEWSRXKRSA-N 2 2 331.504 2.084 10 0 EEAELP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)CC1 ZINC000873825241 1198711541 /nfs/dbraw/zinc/71/15/41/1198711541.db2.gz COVWJUBNMSSWMB-IAGOWNOFSA-N 2 2 339.443 2.294 10 0 EEAELP CN(C(=O)C1=COCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124686130 1198720184 /nfs/dbraw/zinc/72/01/84/1198720184.db2.gz RJOAREIWOSLTBW-OALUTQOASA-N 2 2 349.519 2.476 10 0 EEAELP CN(C(=O)C1=COCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124686130 1198720187 /nfs/dbraw/zinc/72/01/87/1198720187.db2.gz RJOAREIWOSLTBW-OALUTQOASA-N 2 2 349.519 2.476 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000870909923 1200947021 /nfs/dbraw/zinc/94/70/21/1200947021.db2.gz DORHKCRNBFYMSO-KFZJALRRSA-N 2 2 337.414 2.344 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000870909923 1200947027 /nfs/dbraw/zinc/94/70/27/1200947027.db2.gz DORHKCRNBFYMSO-KFZJALRRSA-N 2 2 337.414 2.344 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000870926914 1200960853 /nfs/dbraw/zinc/96/08/53/1200960853.db2.gz HPSLPDZMPGYRBK-FMGDLQRFSA-N 2 2 329.366 2.093 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000870926914 1200960857 /nfs/dbraw/zinc/96/08/57/1200960857.db2.gz HPSLPDZMPGYRBK-FMGDLQRFSA-N 2 2 329.366 2.093 10 0 EEAELP O=C(CCn1cc[nH+]c1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000882393431 1201865047 /nfs/dbraw/zinc/86/50/47/1201865047.db2.gz YOGREDRIPQSJFV-GOSISDBHSA-N 2 2 339.443 2.196 10 0 EEAELP O=C(CCn1cc[nH+]c1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000882393431 1201865049 /nfs/dbraw/zinc/86/50/49/1201865049.db2.gz YOGREDRIPQSJFV-GOSISDBHSA-N 2 2 339.443 2.196 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]Cc3cccnc3)ccn12 ZINC001274025374 1204331818 /nfs/dbraw/zinc/33/18/18/1204331818.db2.gz LFWZRECSZVAIJY-IHWYPQMZSA-N 2 2 335.411 2.114 10 0 EEAELP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC[C@H]1CCOC1 ZINC001274736122 1205147137 /nfs/dbraw/zinc/14/71/37/1205147137.db2.gz JYDSMADUNIICEJ-GJZGRUSLSA-N 2 2 344.459 2.478 10 0 EEAELP CC(C)COCC[N@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275592269 1205434562 /nfs/dbraw/zinc/43/45/62/1205434562.db2.gz IGIMNLYWUVJRMN-AWEZNQCLSA-N 2 2 332.448 2.286 10 0 EEAELP CC(C)COCC[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275592269 1205434563 /nfs/dbraw/zinc/43/45/63/1205434563.db2.gz IGIMNLYWUVJRMN-AWEZNQCLSA-N 2 2 332.448 2.286 10 0 EEAELP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H](C)CC[NH+](C)C)CC1 ZINC001411612792 1205453340 /nfs/dbraw/zinc/45/33/40/1205453340.db2.gz GPLNKIUERSMZOE-QGZVFWFLSA-N 2 2 347.503 2.236 10 0 EEAELP O=C(NCc1[nH]c2c([nH+]1)CCCC2)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC001412678420 1205824022 /nfs/dbraw/zinc/82/40/22/1205824022.db2.gz NFIXRPUXAXFSHE-AWEZNQCLSA-N 2 2 348.516 2.122 10 0 EEAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c2c(c1)OCCO2 ZINC000925512837 1206121702 /nfs/dbraw/zinc/12/17/02/1206121702.db2.gz GEYNIJISIYPKEL-HIFRSBDPSA-N 2 2 338.835 2.019 10 0 EEAELP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620658 1206136447 /nfs/dbraw/zinc/13/64/47/1206136447.db2.gz WSDDKPJBBOZLRB-ZSXDVEMLSA-N 3 2 335.536 2.121 10 0 EEAELP Cc1cc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)nc(N2CCCC2)n1 ZINC000925673435 1206142504 /nfs/dbraw/zinc/14/25/04/1206142504.db2.gz NKJBCCBUOIRBMB-IKGGRYGDSA-N 2 2 329.492 2.251 10 0 EEAELP COc1ccc(C2CC2)c(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000926189088 1206202540 /nfs/dbraw/zinc/20/25/40/1206202540.db2.gz KWYAVDHWBNWGDG-UHFFFAOYSA-N 2 2 332.448 2.117 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c[nH+]1 ZINC000928827295 1206424799 /nfs/dbraw/zinc/42/47/99/1206424799.db2.gz ABDKQHFYFALDEP-INIZCTEOSA-N 2 2 329.448 2.131 10 0 EEAELP Fc1cncc(F)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000929761833 1206499197 /nfs/dbraw/zinc/49/91/97/1206499197.db2.gz CKNILBIVBLWYAL-UHFFFAOYSA-N 2 2 325.403 2.437 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931280267 1206621459 /nfs/dbraw/zinc/62/14/59/1206621459.db2.gz VJPVJTPOHOLLKP-ATLSCFEFSA-N 2 2 331.435 2.121 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931280267 1206621460 /nfs/dbraw/zinc/62/14/60/1206621460.db2.gz VJPVJTPOHOLLKP-ATLSCFEFSA-N 2 2 331.435 2.121 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)COc3ccc4cc[nH]c4c3)C[C@@]2(C)C1 ZINC000931319890 1206624601 /nfs/dbraw/zinc/62/46/01/1206624601.db2.gz ZZRNRAPSUGATRT-PWIZWCRZSA-N 2 2 343.471 2.181 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn2ccccc12 ZINC000900693514 1234668645 /nfs/dbraw/zinc/66/86/45/1234668645.db2.gz VQXBOOKLZALKBA-UHFFFAOYSA-N 2 2 328.460 2.037 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccn2ccccc12 ZINC000900693514 1234668648 /nfs/dbraw/zinc/66/86/48/1234668648.db2.gz VQXBOOKLZALKBA-UHFFFAOYSA-N 2 2 328.460 2.037 10 0 EEAELP C[N@H+](CC(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)Cc1ccccc1 ZINC001413395154 1236280290 /nfs/dbraw/zinc/28/02/90/1236280290.db2.gz QKAJZYNFTDTLCA-FQEVSTJZSA-N 2 2 337.467 2.162 10 0 EEAELP C[N@@H+](CC(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)Cc1ccccc1 ZINC001413395154 1236280295 /nfs/dbraw/zinc/28/02/95/1236280295.db2.gz QKAJZYNFTDTLCA-FQEVSTJZSA-N 2 2 337.467 2.162 10 0 EEAELP c1ccc(N2CCC([NH2+][C@@H]3CCCN4CCSC[C@H]34)CC2)[nH+]c1 ZINC000903271480 1240150126 /nfs/dbraw/zinc/15/01/26/1240150126.db2.gz MBTIQXUNRVSZAA-IAGOWNOFSA-N 2 2 332.517 2.220 10 0 EEAELP C[N@H+](CCOc1ccccc1Cl)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903878722 1242291602 /nfs/dbraw/zinc/29/16/02/1242291602.db2.gz XNAPYAXFGCZVLK-AWEZNQCLSA-N 2 2 349.866 2.367 10 0 EEAELP C[N@@H+](CCOc1ccccc1Cl)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903878722 1242291613 /nfs/dbraw/zinc/29/16/13/1242291613.db2.gz XNAPYAXFGCZVLK-AWEZNQCLSA-N 2 2 349.866 2.367 10 0 EEAELP COCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001490984362 1258541725 /nfs/dbraw/zinc/54/17/25/1258541725.db2.gz SLRYGAYPBVHHRO-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP COCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001490984362 1258541732 /nfs/dbraw/zinc/54/17/32/1258541732.db2.gz SLRYGAYPBVHHRO-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CC1CC(C)(C)C1 ZINC001491463095 1259114834 /nfs/dbraw/zinc/11/48/34/1259114834.db2.gz MESQBYJEIZSNFE-GUYCJALGSA-N 2 2 347.507 2.321 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CC1CC(C)(C)C1 ZINC001491463095 1259114839 /nfs/dbraw/zinc/11/48/39/1259114839.db2.gz MESQBYJEIZSNFE-GUYCJALGSA-N 2 2 347.507 2.321 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)ncc1Cl ZINC000855414407 1293208750 /nfs/dbraw/zinc/20/87/50/1293208750.db2.gz CTNRZNNHOJQULG-UHFFFAOYSA-N 2 2 333.263 2.002 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)ncc1Cl ZINC000855414407 1293208756 /nfs/dbraw/zinc/20/87/56/1293208756.db2.gz CTNRZNNHOJQULG-UHFFFAOYSA-N 2 2 333.263 2.002 10 0 EEAELP CCO[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C[NH+](C)C ZINC000926965719 1296972327 /nfs/dbraw/zinc/97/23/27/1296972327.db2.gz SWGHSDTZPHSTCO-WMLDXEAASA-N 2 2 335.448 2.261 10 0 EEAELP CC[NH+](CC)CC[C@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000798215852 1304949918 /nfs/dbraw/zinc/94/99/18/1304949918.db2.gz QNNUMMPGECSWTQ-CYBMUJFWSA-N 2 2 334.468 2.086 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CC[NH2+]Cc1cccnc1 ZINC001263960628 1322571634 /nfs/dbraw/zinc/57/16/34/1322571634.db2.gz JJWNEIHNRLVOOP-AEFFLSMTSA-N 2 2 341.459 2.085 10 0 EEAELP C[C@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001264433794 1322701015 /nfs/dbraw/zinc/70/10/15/1322701015.db2.gz OWJXEEHYFQEYQJ-OVWQWFNUSA-N 2 2 348.491 2.032 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CCOC(C)C)C3CC3)ccn12 ZINC001265356966 1323095445 /nfs/dbraw/zinc/09/54/45/1323095445.db2.gz SILDMEMPGQBBQR-KRWDZBQOSA-N 2 2 344.459 2.166 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001265449390 1323161420 /nfs/dbraw/zinc/16/14/20/1323161420.db2.gz LJDXCRNBTOOOQT-AEFFLSMTSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001265449390 1323161428 /nfs/dbraw/zinc/16/14/28/1323161428.db2.gz LJDXCRNBTOOOQT-AEFFLSMTSA-N 2 2 340.471 2.412 10 0 EEAELP COCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001266064226 1323618445 /nfs/dbraw/zinc/61/84/45/1323618445.db2.gz SELWBJQCJJHYAZ-LSDHHAIUSA-N 2 2 330.432 2.001 10 0 EEAELP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCc1ccns1 ZINC001266156212 1323725203 /nfs/dbraw/zinc/72/52/03/1323725203.db2.gz WTVQLVQBOBSWJF-GFCCVEGCSA-N 2 2 343.456 2.360 10 0 EEAELP COCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001279235986 1323855352 /nfs/dbraw/zinc/85/53/52/1323855352.db2.gz ALGVNDQBRJZTSU-ZJPYXAASSA-N 2 2 348.491 2.230 10 0 EEAELP COCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001279235986 1323855359 /nfs/dbraw/zinc/85/53/59/1323855359.db2.gz ALGVNDQBRJZTSU-ZJPYXAASSA-N 2 2 348.491 2.230 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001279575403 1323942810 /nfs/dbraw/zinc/94/28/10/1323942810.db2.gz FMOZAEKKMGMDCN-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001279575403 1323942812 /nfs/dbraw/zinc/94/28/12/1323942812.db2.gz FMOZAEKKMGMDCN-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001280096280 1324083234 /nfs/dbraw/zinc/08/32/34/1324083234.db2.gz USTPGXHGBCFLFE-DENRDFMMSA-N 2 2 336.867 2.026 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001280096750 1324083468 /nfs/dbraw/zinc/08/34/68/1324083468.db2.gz WQBDOWBDSMOAPR-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001283998047 1326355813 /nfs/dbraw/zinc/35/58/13/1326355813.db2.gz UYGCANMOOCDIGI-DZGCQCFKSA-N 2 2 330.432 2.181 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001316632775 1326554260 /nfs/dbraw/zinc/55/42/60/1326554260.db2.gz IQZJDKIAPHXEIC-ULQDDVLXSA-N 2 2 332.492 2.366 10 0 EEAELP COCCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001316636983 1326841445 /nfs/dbraw/zinc/84/14/45/1326841445.db2.gz XNRHCWJOYKNCLX-JCNLHEQBSA-N 2 2 342.443 2.007 10 0 EEAELP COc1cc(C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C ZINC001491596874 1330178864 /nfs/dbraw/zinc/17/88/64/1330178864.db2.gz 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ZINC001699338832 1405339669 /nfs/dbraw/zinc/33/96/69/1405339669.db2.gz UMFNATJZQOPTAG-BAHPRDJBSA-N 2 2 342.418 2.349 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(Cl)c1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001699538220 1405377233 /nfs/dbraw/zinc/37/72/33/1405377233.db2.gz RNQILSVZQIMPIH-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP C/C(=C/C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C[NH+]1CCOCC1 ZINC000907288349 784518413 /nfs/dbraw/zinc/51/84/13/784518413.db2.gz ZKQWKRNGTHGKPL-PDCCKZSSSA-N 2 2 349.519 2.034 10 0 EEAELP C/C(=C/C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C[NH+]1CCOCC1 ZINC000907288349 784518418 /nfs/dbraw/zinc/51/84/18/784518418.db2.gz ZKQWKRNGTHGKPL-PDCCKZSSSA-N 2 2 349.519 2.034 10 0 EEAELP CC[NH2+]CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000844201911 788922346 /nfs/dbraw/zinc/92/23/46/788922346.db2.gz CHGYMQSLRJOWOO-YJBOKZPZSA-N 2 2 332.492 2.058 10 0 EEAELP CC[NH2+]CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000844201911 788922352 /nfs/dbraw/zinc/92/23/52/788922352.db2.gz 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ZINC001480160710 1099733940 /nfs/dbraw/zinc/73/39/40/1099733940.db2.gz GSDOOGVWLVOARM-MRVWCRGKSA-N 2 2 347.850 2.074 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001480160710 1099733949 /nfs/dbraw/zinc/73/39/49/1099733949.db2.gz GSDOOGVWLVOARM-MRVWCRGKSA-N 2 2 347.850 2.074 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001480160626 1099734132 /nfs/dbraw/zinc/73/41/32/1099734132.db2.gz IGXANMRGMOUQIY-FVQBIDKESA-N 2 2 328.460 2.468 10 0 EEAELP CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001444829059 1099775464 /nfs/dbraw/zinc/77/54/64/1099775464.db2.gz LGXVZZDKAGYYBM-JKSUJKDBSA-N 2 2 332.492 2.389 10 0 EEAELP CC(C)C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001496281729 1100863557 /nfs/dbraw/zinc/86/35/57/1100863557.db2.gz YDWUYJOYNCQCOU-IRXDYDNUSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001496375586 1100969188 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339.399 2.015 10 0 EEAELP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)no1 ZINC001447604653 1102959548 /nfs/dbraw/zinc/95/95/48/1102959548.db2.gz TYDGLFQMFVLWBD-MRXNPFEDSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[NH+]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C2)no1 ZINC001447604653 1102959555 /nfs/dbraw/zinc/95/95/55/1102959555.db2.gz TYDGLFQMFVLWBD-MRXNPFEDSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)no1 ZINC001447604653 1102959560 /nfs/dbraw/zinc/95/95/60/1102959560.db2.gz TYDGLFQMFVLWBD-MRXNPFEDSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)no1 ZINC001447604653 1102959563 /nfs/dbraw/zinc/95/95/63/1102959563.db2.gz TYDGLFQMFVLWBD-MRXNPFEDSA-N 2 2 336.480 2.040 10 0 EEAELP CC(C)c1ccccc1C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001497767790 1103069373 /nfs/dbraw/zinc/06/93/73/1103069373.db2.gz YYZUVKWANHQUCT-AATRIKPKSA-N 2 2 326.444 2.469 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](CCCF)C1 ZINC001493954843 1103187543 /nfs/dbraw/zinc/18/75/43/1103187543.db2.gz DDBFEQLMHGLMCP-CVEARBPZSA-N 2 2 336.455 2.118 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001493954843 1103187551 /nfs/dbraw/zinc/18/75/51/1103187551.db2.gz DDBFEQLMHGLMCP-CVEARBPZSA-N 2 2 336.455 2.118 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001493977940 1103246853 /nfs/dbraw/zinc/24/68/53/1103246853.db2.gz PMFPZEAKADJAOG-INIZCTEOSA-N 2 2 332.473 2.458 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001493977940 1103246864 /nfs/dbraw/zinc/24/68/64/1103246864.db2.gz PMFPZEAKADJAOG-INIZCTEOSA-N 2 2 332.473 2.458 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001448138954 1104088463 /nfs/dbraw/zinc/08/84/63/1104088463.db2.gz JXHLQFNIGALFOE-YJBOKZPZSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001448138954 1104088476 /nfs/dbraw/zinc/08/84/76/1104088476.db2.gz JXHLQFNIGALFOE-YJBOKZPZSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001448347973 1104439895 /nfs/dbraw/zinc/43/98/95/1104439895.db2.gz WCMZEKKSIZKURD-CQSZACIVSA-N 2 2 330.476 2.359 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(C)cc1 ZINC001495011724 1104654026 /nfs/dbraw/zinc/65/40/26/1104654026.db2.gz KZGMHMONRBFIML-MSOLQXFVSA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cc(C)ns1 ZINC001495023655 1104664481 /nfs/dbraw/zinc/66/44/81/1104664481.db2.gz LAHIJFUOOPUSJK-CYBMUJFWSA-N 2 2 343.456 2.397 10 0 EEAELP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C[C@H]1CC(C)(C)CO1 ZINC001493025751 1107331317 /nfs/dbraw/zinc/33/13/17/1107331317.db2.gz UAIQVWZUKSCRLB-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)C[C@H]1CC(C)(C)CO1 ZINC001493025751 1107331330 /nfs/dbraw/zinc/33/13/30/1107331330.db2.gz UAIQVWZUKSCRLB-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001498500193 1107641051 /nfs/dbraw/zinc/64/10/51/1107641051.db2.gz ZTUPEBQKLZJLMM-AEFFLSMTSA-N 2 2 332.492 2.417 10 0 EEAELP CCOCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001493830427 1108712759 /nfs/dbraw/zinc/71/27/59/1108712759.db2.gz OHTVXPCKEAYDAH-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP CCOCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001493830427 1108712776 /nfs/dbraw/zinc/71/27/76/1108712776.db2.gz OHTVXPCKEAYDAH-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1([NH2+]Cc2conc2C)CC1 ZINC001499231048 1112190391 /nfs/dbraw/zinc/19/03/91/1112190391.db2.gz SJAKPSBHWUCIGA-CYBMUJFWSA-N 2 2 345.447 2.132 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001499435203 1112286715 /nfs/dbraw/zinc/28/67/15/1112286715.db2.gz ZYAPUZZYDKZMIY-UHFFFAOYSA-N 2 2 330.476 2.171 10 0 EEAELP 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ZINC001508028754 1115393174 /nfs/dbraw/zinc/39/31/74/1115393174.db2.gz LHUGAUFYUGVFHQ-OAHLLOKOSA-N 2 2 347.463 2.132 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001508069481 1115411203 /nfs/dbraw/zinc/41/12/03/1115411203.db2.gz ZCQOGGUCVCZXFZ-MRXNPFEDSA-N 2 2 326.444 2.300 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1=CC[N@H+](CC[C@H](C)F)CC1 ZINC001508209659 1115445471 /nfs/dbraw/zinc/44/54/71/1115445471.db2.gz YENLMQJVPVTZMG-AWEZNQCLSA-N 2 2 335.423 2.129 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001508209659 1115445473 /nfs/dbraw/zinc/44/54/73/1115445473.db2.gz YENLMQJVPVTZMG-AWEZNQCLSA-N 2 2 335.423 2.129 10 0 EEAELP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccn(CC)n1 ZINC001567964545 1124207550 /nfs/dbraw/zinc/20/75/50/1124207550.db2.gz MLBLOJISKYDABW-CQSZACIVSA-N 2 2 340.431 2.078 10 0 EEAELP C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568679037 1124690857 /nfs/dbraw/zinc/69/08/57/1124690857.db2.gz DQNGEUQEZFGJIY-QJPTWQEYSA-N 2 2 345.274 2.327 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC001568973013 1125012795 /nfs/dbraw/zinc/01/27/95/1125012795.db2.gz FKLKILGOEPBSPD-IBUXWKBASA-N 2 2 334.370 2.185 10 0 EEAELP COc1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000188418114 539621428 /nfs/dbraw/zinc/62/14/28/539621428.db2.gz IHKUIVGYLZZSGE-HNNXBMFYSA-N 2 2 329.400 2.328 10 0 EEAELP COc1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000188418114 539621431 /nfs/dbraw/zinc/62/14/31/539621431.db2.gz IHKUIVGYLZZSGE-HNNXBMFYSA-N 2 2 329.400 2.328 10 0 EEAELP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000449393467 291002320 /nfs/dbraw/zinc/00/23/20/291002320.db2.gz CETKNIHPHQJRQU-RCCFBDPRSA-N 2 2 340.508 2.325 10 0 EEAELP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000449393467 291002322 /nfs/dbraw/zinc/00/23/22/291002322.db2.gz CETKNIHPHQJRQU-RCCFBDPRSA-N 2 2 340.508 2.325 10 0 EEAELP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[NH+]1CCc2sccc2C1 ZINC000069489798 202284167 /nfs/dbraw/zinc/28/41/67/202284167.db2.gz PUTVZEYDBSNQJO-CVEARBPZSA-N 2 2 333.501 2.191 10 0 EEAELP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[NH+]1CCc2sccc2C1 ZINC000069489798 202284170 /nfs/dbraw/zinc/28/41/70/202284170.db2.gz PUTVZEYDBSNQJO-CVEARBPZSA-N 2 2 333.501 2.191 10 0 EEAELP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000069489798 202284172 /nfs/dbraw/zinc/28/41/72/202284172.db2.gz PUTVZEYDBSNQJO-CVEARBPZSA-N 2 2 333.501 2.191 10 0 EEAELP C[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000069489798 202284175 /nfs/dbraw/zinc/28/41/75/202284175.db2.gz PUTVZEYDBSNQJO-CVEARBPZSA-N 2 2 333.501 2.191 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@@H]1Cn1cccn1 ZINC000069706165 202291655 /nfs/dbraw/zinc/29/16/55/202291655.db2.gz IIMHUQDZXUDPNC-UXHICEINSA-N 2 2 342.487 2.231 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@@H]1Cn1cccn1 ZINC000069706165 202291658 /nfs/dbraw/zinc/29/16/58/202291658.db2.gz IIMHUQDZXUDPNC-UXHICEINSA-N 2 2 342.487 2.231 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069706165 202291662 /nfs/dbraw/zinc/29/16/62/202291662.db2.gz IIMHUQDZXUDPNC-UXHICEINSA-N 2 2 342.487 2.231 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069706165 202291666 /nfs/dbraw/zinc/29/16/66/202291666.db2.gz IIMHUQDZXUDPNC-UXHICEINSA-N 2 2 342.487 2.231 10 0 EEAELP c1c(CC2([NH2+]Cc3cccnc3)COC2)noc1C[NH+]1CCCCC1 ZINC000072321963 202364090 /nfs/dbraw/zinc/36/40/90/202364090.db2.gz PRPCBNNYQKUMHP-UHFFFAOYSA-N 2 2 342.443 2.157 10 0 EEAELP CC1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000080493313 201346760 /nfs/dbraw/zinc/34/67/60/201346760.db2.gz OQIYOTJSHVGPBX-UHFFFAOYSA-N 2 2 336.524 2.378 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC(F)F ZINC000422809027 240239729 /nfs/dbraw/zinc/23/97/29/240239729.db2.gz LSYFHHVJMHKVHQ-HOTGVXAUSA-N 2 2 342.386 2.153 10 0 EEAELP c1coc([C@H](CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+]2CCCCC2)c1 ZINC000422966703 240310406 /nfs/dbraw/zinc/31/04/06/240310406.db2.gz RVWIRHVSORKAPB-UHOSZYNNSA-N 2 2 333.476 2.163 10 0 EEAELP c1coc([C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)N2CCCCC2)c1 ZINC000422966703 240310411 /nfs/dbraw/zinc/31/04/11/240310411.db2.gz RVWIRHVSORKAPB-UHOSZYNNSA-N 2 2 333.476 2.163 10 0 EEAELP Fc1ccc(-c2nc(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)co2)cc1 ZINC000422933973 240296758 /nfs/dbraw/zinc/29/67/58/240296758.db2.gz BVBNZDPEBLPUOC-ZWKOTPCHSA-N 2 2 345.418 2.380 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H](C)n4ccnc43)cn2)CC1 ZINC000453060259 243387858 /nfs/dbraw/zinc/38/78/58/243387858.db2.gz JQYSZFLXGMBIGF-DOTOQJQBSA-N 2 2 340.475 2.216 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3c(c2)CCCO3)CC1 ZINC000089314084 203573987 /nfs/dbraw/zinc/57/39/87/203573987.db2.gz IEPCYQSBQNDLEA-UHFFFAOYSA-N 2 2 346.475 2.159 10 0 EEAELP C[C@@H](O)C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459501543 245147949 /nfs/dbraw/zinc/14/79/49/245147949.db2.gz FGUXDBNJFHRXOF-OAHLLOKOSA-N 2 2 337.895 2.307 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000459793468 245250217 /nfs/dbraw/zinc/25/02/17/245250217.db2.gz KOYKAWYJJHQGHE-NJAFHUGGSA-N 2 2 345.512 2.082 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H]3C[C@H]2CS3)CC1 ZINC000459793468 245250224 /nfs/dbraw/zinc/25/02/24/245250224.db2.gz KOYKAWYJJHQGHE-NJAFHUGGSA-N 2 2 345.512 2.082 10 0 EEAELP O[C@@H](C[NH2+]CC[NH+]1CCCC1)COc1c(Cl)cccc1Cl ZINC000048298935 204345394 /nfs/dbraw/zinc/34/53/94/204345394.db2.gz XNSSTOGENFXNNM-LBPRGKRZSA-N 2 2 333.259 2.419 10 0 EEAELP O[C@H](C[NH2+]CC[NH+]1CCCC1)COc1ccc(Cl)cc1Cl ZINC000048299001 204346285 /nfs/dbraw/zinc/34/62/85/204346285.db2.gz YJAWKPABFGYKDO-CYBMUJFWSA-N 2 2 333.259 2.419 10 0 EEAELP C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000246195305 205185082 /nfs/dbraw/zinc/18/50/82/205185082.db2.gz DOHHMIKUVMRTGT-WDSOQIARSA-N 2 2 345.487 2.036 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)[C@@H](C)C1 ZINC000246392621 205198891 /nfs/dbraw/zinc/19/88/91/205198891.db2.gz JGYVJCLJXQAZJM-HOCLYGCPSA-N 2 2 333.480 2.019 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)[C@@H](C)C1 ZINC000246392621 205198895 /nfs/dbraw/zinc/19/88/95/205198895.db2.gz JGYVJCLJXQAZJM-HOCLYGCPSA-N 2 2 333.480 2.019 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246503495 205206739 /nfs/dbraw/zinc/20/67/39/205206739.db2.gz SSJZFZOLQOWLED-MSOLQXFVSA-N 2 2 347.507 2.425 10 0 EEAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246503495 205206744 /nfs/dbraw/zinc/20/67/44/205206744.db2.gz SSJZFZOLQOWLED-MSOLQXFVSA-N 2 2 347.507 2.425 10 0 EEAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177126649 207297137 /nfs/dbraw/zinc/29/71/37/207297137.db2.gz RIWWCZKVMZLMJH-QGZVFWFLSA-N 2 2 349.442 2.158 10 0 EEAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000177126649 207297142 /nfs/dbraw/zinc/29/71/42/207297142.db2.gz RIWWCZKVMZLMJH-QGZVFWFLSA-N 2 2 349.442 2.158 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(CO)cc3)CCC[NH+]2C)cn1 ZINC000328652376 258019874 /nfs/dbraw/zinc/01/98/74/258019874.db2.gz WKUQEXVOKSFINN-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(CO)cc3)CCC[NH+]2C)cn1 ZINC000328652376 258019875 /nfs/dbraw/zinc/01/98/75/258019875.db2.gz WKUQEXVOKSFINN-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(CO)cc3)CCC[N@@H+]2C)cn1 ZINC000328652376 258019877 /nfs/dbraw/zinc/01/98/77/258019877.db2.gz WKUQEXVOKSFINN-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(CO)cc3)CCC[N@H+]2C)cn1 ZINC000328652376 258019878 /nfs/dbraw/zinc/01/98/78/258019878.db2.gz WKUQEXVOKSFINN-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](C4CC[NH+](C)CC4)CC3)C[C@H]2C1 ZINC000424266680 286113104 /nfs/dbraw/zinc/11/31/04/286113104.db2.gz JIKCACMNWTUEGX-VUDASAJCSA-N 3 2 335.536 2.338 10 0 EEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)CCC1CC[NH2+]CC1)C2 ZINC000263085779 152372008 /nfs/dbraw/zinc/37/20/08/152372008.db2.gz XXCPXPIMDQDDML-HNNXBMFYSA-N 2 2 332.492 2.391 10 0 EEAELP NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249864901 160386099 /nfs/dbraw/zinc/38/60/99/160386099.db2.gz HJZDQGXONQRJDH-SUMWQHHRSA-N 2 2 328.391 2.181 10 0 EEAELP NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249864901 160386101 /nfs/dbraw/zinc/38/61/01/160386101.db2.gz HJZDQGXONQRJDH-SUMWQHHRSA-N 2 2 328.391 2.181 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000249926236 160387452 /nfs/dbraw/zinc/38/74/52/160387452.db2.gz ZYAQFYMLMYVYQG-KBXCAEBGSA-N 2 2 342.418 2.490 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000249926236 160387453 /nfs/dbraw/zinc/38/74/53/160387453.db2.gz ZYAQFYMLMYVYQG-KBXCAEBGSA-N 2 2 342.418 2.490 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C/C=C\C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000255007066 160396904 /nfs/dbraw/zinc/39/69/04/160396904.db2.gz YWCCHDKGYIHCRF-APJDINJDSA-N 4 2 336.568 2.372 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C/C=C\C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1C ZINC000255007066 160396908 /nfs/dbraw/zinc/39/69/08/160396908.db2.gz YWCCHDKGYIHCRF-APJDINJDSA-N 4 2 336.568 2.372 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C/C=C\C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000255007066 160396909 /nfs/dbraw/zinc/39/69/09/160396909.db2.gz YWCCHDKGYIHCRF-APJDINJDSA-N 4 2 336.568 2.372 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C/C=C\C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CC[NH+]1C ZINC000255007066 160396912 /nfs/dbraw/zinc/39/69/12/160396912.db2.gz YWCCHDKGYIHCRF-APJDINJDSA-N 4 2 336.568 2.372 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000075503570 159074790 /nfs/dbraw/zinc/07/47/90/159074790.db2.gz YKYJDWHMRIUSEN-UHFFFAOYSA-N 2 2 344.503 2.436 10 0 EEAELP C[NH+]1CCC(CNC(=O)C[C@H]2CCCCO2)([NH+]2CCCCC2)CC1 ZINC000087335379 159173159 /nfs/dbraw/zinc/17/31/59/159173159.db2.gz ZKMUSXUNVZQDPV-QGZVFWFLSA-N 2 2 337.508 2.012 10 0 EEAELP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(Cl)(Cl)Cl)C2)CC1 ZINC000184537718 160009947 /nfs/dbraw/zinc/00/99/47/160009947.db2.gz CKRMHNOXRWICBN-LBPRGKRZSA-N 2 2 328.715 2.459 10 0 EEAELP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(Cl)(Cl)Cl)C2)CC1 ZINC000184537718 160009953 /nfs/dbraw/zinc/00/99/53/160009953.db2.gz CKRMHNOXRWICBN-LBPRGKRZSA-N 2 2 328.715 2.459 10 0 EEAELP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247029208 160306024 /nfs/dbraw/zinc/30/60/24/160306024.db2.gz NKZMHZCWUKZHKG-CNXCKVANSA-N 2 2 344.503 2.329 10 0 EEAELP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247029208 160306027 /nfs/dbraw/zinc/30/60/27/160306027.db2.gz NKZMHZCWUKZHKG-CNXCKVANSA-N 2 2 344.503 2.329 10 0 EEAELP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000247111835 160310414 /nfs/dbraw/zinc/31/04/14/160310414.db2.gz TURDRBWKLGSPMS-MAUKXSAKSA-N 2 2 326.444 2.485 10 0 EEAELP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000247111835 160310415 /nfs/dbraw/zinc/31/04/15/160310415.db2.gz TURDRBWKLGSPMS-MAUKXSAKSA-N 2 2 326.444 2.485 10 0 EEAELP COCCN1CC[C@H]([NH2+][C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000346612540 161386158 /nfs/dbraw/zinc/38/61/58/161386158.db2.gz ZPNFUVYBRMWPDQ-VQTJNVASSA-N 2 2 333.520 2.453 10 0 EEAELP COCCN1CC[C@H]([NH2+][C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000346612540 161386159 /nfs/dbraw/zinc/38/61/59/161386159.db2.gz ZPNFUVYBRMWPDQ-VQTJNVASSA-N 2 2 333.520 2.453 10 0 EEAELP Cc1cnc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000352720147 162260211 /nfs/dbraw/zinc/26/02/11/162260211.db2.gz SAESNGMGXTVANW-UHFFFAOYSA-N 2 2 339.487 2.035 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000352720147 162260212 /nfs/dbraw/zinc/26/02/12/162260212.db2.gz SAESNGMGXTVANW-UHFFFAOYSA-N 2 2 339.487 2.035 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000355658552 163261579 /nfs/dbraw/zinc/26/15/79/163261579.db2.gz XXZZUQGHUPGXHY-UHFFFAOYSA-N 2 2 341.411 2.184 10 0 EEAELP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000356265622 163386839 /nfs/dbraw/zinc/38/68/39/163386839.db2.gz OJRWVTJZFYVFKY-CABCVRRESA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000356265622 163386842 /nfs/dbraw/zinc/38/68/42/163386842.db2.gz OJRWVTJZFYVFKY-CABCVRRESA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000356265622 163386846 /nfs/dbraw/zinc/38/68/46/163386846.db2.gz OJRWVTJZFYVFKY-CABCVRRESA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000356265622 163386849 /nfs/dbraw/zinc/38/68/49/163386849.db2.gz OJRWVTJZFYVFKY-CABCVRRESA-N 2 2 332.492 2.438 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278297581 269221651 /nfs/dbraw/zinc/22/16/51/269221651.db2.gz GNPXOTKEEVTHMN-CHWSQXEVSA-N 2 2 331.468 2.116 10 0 EEAELP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101732 274161909 /nfs/dbraw/zinc/16/19/09/274161909.db2.gz KZGUKJJRHRZNCG-STQMWFEESA-N 2 2 328.416 2.283 10 0 EEAELP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101732 274161910 /nfs/dbraw/zinc/16/19/10/274161910.db2.gz KZGUKJJRHRZNCG-STQMWFEESA-N 2 2 328.416 2.283 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H]3CC[C@H](O)CC3)c2cc1C ZINC000275773133 274264899 /nfs/dbraw/zinc/26/48/99/274264899.db2.gz BEHJEBOJOJXQTI-BRWVUGGUSA-N 2 2 331.460 2.249 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H]3CC[C@H](O)CC3)c2cc1C ZINC000275773133 274264902 /nfs/dbraw/zinc/26/49/02/274264902.db2.gz BEHJEBOJOJXQTI-BRWVUGGUSA-N 2 2 331.460 2.249 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000183804215 274356718 /nfs/dbraw/zinc/35/67/18/274356718.db2.gz LAWSEAOGINOXPP-WBVHZDCISA-N 2 2 336.443 2.125 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1nnc2ccccn21 ZINC000183804215 274356721 /nfs/dbraw/zinc/35/67/21/274356721.db2.gz LAWSEAOGINOXPP-WBVHZDCISA-N 2 2 336.443 2.125 10 0 EEAELP Brc1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000422721885 275368900 /nfs/dbraw/zinc/36/89/00/275368900.db2.gz WHGPIRZCAPHIOQ-TZMCWYRMSA-N 2 2 345.306 2.410 10 0 EEAELP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422691901 279137843 /nfs/dbraw/zinc/13/78/43/279137843.db2.gz JCNBGVMZJNMSKR-UXHICEINSA-N 3 2 331.504 2.385 10 0 EEAELP O=C1NCCC[C@@H]1[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000362379295 280286814 /nfs/dbraw/zinc/28/68/14/280286814.db2.gz QMAKLSTVFROHBR-ICSRJNTNSA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@@H]1[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000362379295 280286815 /nfs/dbraw/zinc/28/68/15/280286815.db2.gz QMAKLSTVFROHBR-ICSRJNTNSA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000362379295 280286818 /nfs/dbraw/zinc/28/68/18/280286818.db2.gz QMAKLSTVFROHBR-ICSRJNTNSA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000362379295 280286819 /nfs/dbraw/zinc/28/68/19/280286819.db2.gz QMAKLSTVFROHBR-ICSRJNTNSA-N 2 2 327.472 2.253 10 0 EEAELP COc1ccc(C[C@H](C)C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC ZINC000423021126 295139791 /nfs/dbraw/zinc/13/97/91/295139791.db2.gz DLRGDWSCLTYWBQ-VHKYSDTDSA-N 2 2 348.487 2.239 10 0 EEAELP Cc1cc(C)c(NC(=O)N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c(C)[nH+]1 ZINC000333158041 312102965 /nfs/dbraw/zinc/10/29/65/312102965.db2.gz GTBZOTIIZYQPQS-CJNGLKHVSA-N 2 2 332.448 2.191 10 0 EEAELP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CCC2(CC[NH2+]2)CC1 ZINC000333221345 312114465 /nfs/dbraw/zinc/11/44/65/312114465.db2.gz AABPITMNMUSRKG-UHFFFAOYSA-N 2 2 343.475 2.109 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)nc[nH+]1 ZINC000333925007 312214794 /nfs/dbraw/zinc/21/47/94/312214794.db2.gz UDWZBEGNOZKFPB-GMHRPJKWSA-N 2 2 345.491 2.266 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[nH+]cn1 ZINC000333925007 312214797 /nfs/dbraw/zinc/21/47/97/312214797.db2.gz UDWZBEGNOZKFPB-GMHRPJKWSA-N 2 2 345.491 2.266 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000333978944 312223531 /nfs/dbraw/zinc/22/35/31/312223531.db2.gz ZZWNTPNSIOFEOZ-WBVHZDCISA-N 2 2 332.835 2.407 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000333978944 312223532 /nfs/dbraw/zinc/22/35/32/312223532.db2.gz ZZWNTPNSIOFEOZ-WBVHZDCISA-N 2 2 332.835 2.407 10 0 EEAELP CS(=O)(=O)CC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC000414560188 313041633 /nfs/dbraw/zinc/04/16/33/313041633.db2.gz WMTLXQKKHWMPEG-UHFFFAOYSA-N 2 2 339.486 2.238 10 0 EEAELP [NH3+]C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CCCC1 ZINC000416939193 313367077 /nfs/dbraw/zinc/36/70/77/313367077.db2.gz MOTIYYVVFUHYHG-AWEZNQCLSA-N 2 2 335.839 2.304 10 0 EEAELP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000417081733 313416402 /nfs/dbraw/zinc/41/64/02/313416402.db2.gz UCTDYOYZAYNZBO-CRAIPNDOSA-N 2 2 341.459 2.200 10 0 EEAELP CC(C)(CC[NH3+])NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000422557143 314282090 /nfs/dbraw/zinc/28/20/90/314282090.db2.gz IYAURDGFKHPRNX-UHFFFAOYSA-N 2 2 325.482 2.378 10 0 EEAELP Cc1ccc(F)c(C[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000444729941 315319812 /nfs/dbraw/zinc/31/98/12/315319812.db2.gz GJRQIHPUYIMYQH-UHFFFAOYSA-N 2 2 333.451 2.309 10 0 EEAELP Cc1ccc(F)c(C[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000444729941 315319817 /nfs/dbraw/zinc/31/98/17/315319817.db2.gz GJRQIHPUYIMYQH-UHFFFAOYSA-N 2 2 333.451 2.309 10 0 EEAELP CC(C)OCC[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000445818711 315361195 /nfs/dbraw/zinc/36/11/95/315361195.db2.gz MRFVWIMZHBNPLV-UHFFFAOYSA-N 2 2 342.487 2.474 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1 ZINC000525863478 317084570 /nfs/dbraw/zinc/08/45/70/317084570.db2.gz CDKPRDAPZSRAJJ-WMLDXEAASA-N 2 2 344.434 2.444 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@H]([NH+]3CCCC3)C1)C2 ZINC000526993443 317137500 /nfs/dbraw/zinc/13/75/00/317137500.db2.gz JCBHJOAKRFFNRU-GJZGRUSLSA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@H]([NH+]3CCCC3)C1)CC2 ZINC000526993443 317137501 /nfs/dbraw/zinc/13/75/01/317137501.db2.gz JCBHJOAKRFFNRU-GJZGRUSLSA-N 2 2 330.476 2.335 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000547761962 318320247 /nfs/dbraw/zinc/32/02/47/318320247.db2.gz NDCXRDAESTYPKS-GOEBONIOSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000547761962 318320248 /nfs/dbraw/zinc/32/02/48/318320248.db2.gz NDCXRDAESTYPKS-GOEBONIOSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000547761962 318320250 /nfs/dbraw/zinc/32/02/50/318320250.db2.gz NDCXRDAESTYPKS-GOEBONIOSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000547761962 318320251 /nfs/dbraw/zinc/32/02/51/318320251.db2.gz NDCXRDAESTYPKS-GOEBONIOSA-N 2 2 326.444 2.324 10 0 EEAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000577860477 320280450 /nfs/dbraw/zinc/28/04/50/320280450.db2.gz HQCYZKBLDDBIHJ-GJZGRUSLSA-N 2 2 329.444 2.420 10 0 EEAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000577860477 320280452 /nfs/dbraw/zinc/28/04/52/320280452.db2.gz HQCYZKBLDDBIHJ-GJZGRUSLSA-N 2 2 329.444 2.420 10 0 EEAELP O=C(C[NH+]1CCCC1)N1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000581817501 324322586 /nfs/dbraw/zinc/32/25/86/324322586.db2.gz LGYOULDOMIDLDQ-UHFFFAOYSA-N 2 2 342.418 2.118 10 0 EEAELP Cc1nc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c(C)c(C)[nH+]1 ZINC000624705106 450956565 /nfs/dbraw/zinc/95/65/65/450956565.db2.gz IJPVHYBEZJSSTG-KRWDZBQOSA-N 2 2 327.432 2.110 10 0 EEAELP Cc1nc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c(C)c(C)[nH+]1 ZINC000624705106 450956570 /nfs/dbraw/zinc/95/65/70/450956570.db2.gz IJPVHYBEZJSSTG-KRWDZBQOSA-N 2 2 327.432 2.110 10 0 EEAELP Cc1nc(NCc2ccccc2C[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631061241 451561750 /nfs/dbraw/zinc/56/17/50/451561750.db2.gz MZNBNHWTOKIYPA-UHFFFAOYSA-N 2 2 326.448 2.028 10 0 EEAELP Cc1nc(N)nc(NCc2ccccc2C[NH+]2CCC(C)CC2)[nH+]1 ZINC000631061241 451561753 /nfs/dbraw/zinc/56/17/53/451561753.db2.gz MZNBNHWTOKIYPA-UHFFFAOYSA-N 2 2 326.448 2.028 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288092 465093850 /nfs/dbraw/zinc/09/38/50/465093850.db2.gz MBVVWIMKUPGFQX-XLIONFOSSA-N 3 2 331.504 2.243 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288092 465093859 /nfs/dbraw/zinc/09/38/59/465093859.db2.gz MBVVWIMKUPGFQX-XLIONFOSSA-N 3 2 331.504 2.243 10 0 EEAELP CCc1ccc(C[NH+]2CCC([NH+](CCOC)CCOC)CC2)nc1 ZINC000339194818 465134252 /nfs/dbraw/zinc/13/42/52/465134252.db2.gz PGGFIZUKPKUWNH-UHFFFAOYSA-N 2 2 335.492 2.203 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337281645 465284142 /nfs/dbraw/zinc/28/41/42/465284142.db2.gz WKUNBVHZVPWJOF-UHFFFAOYSA-N 2 2 337.430 2.451 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337281645 465284145 /nfs/dbraw/zinc/28/41/45/465284145.db2.gz WKUNBVHZVPWJOF-UHFFFAOYSA-N 2 2 337.430 2.451 10 0 EEAELP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)n1C ZINC000339477553 465296911 /nfs/dbraw/zinc/29/69/11/465296911.db2.gz XWBYSEFJXVBWCL-JWTNVVGKSA-N 2 2 344.503 2.025 10 0 EEAELP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)n1C ZINC000339477553 465296914 /nfs/dbraw/zinc/29/69/14/465296914.db2.gz XWBYSEFJXVBWCL-JWTNVVGKSA-N 2 2 344.503 2.025 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000046287792 462668313 /nfs/dbraw/zinc/66/83/13/462668313.db2.gz CBPLYWKNXUZRIS-KRWDZBQOSA-N 2 2 347.507 2.457 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133124081 462901178 /nfs/dbraw/zinc/90/11/78/462901178.db2.gz URHFLPNPDGSGNF-ARFHVFGLSA-N 2 2 325.403 2.166 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133124081 462901182 /nfs/dbraw/zinc/90/11/82/462901182.db2.gz URHFLPNPDGSGNF-ARFHVFGLSA-N 2 2 325.403 2.166 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000049132579 462956415 /nfs/dbraw/zinc/95/64/15/462956415.db2.gz GKUMCBHFVKULRC-OAHLLOKOSA-N 2 2 333.480 2.080 10 0 EEAELP c1cc(C2(C[NH2+][C@H]3CC[N@@H+](C4CC4)C3)CCOCC2)cc2c1OCO2 ZINC000095420868 463080589 /nfs/dbraw/zinc/08/05/89/463080589.db2.gz WTOFGVJLJAPHTD-INIZCTEOSA-N 2 2 344.455 2.290 10 0 EEAELP c1cc(C2(C[NH2+][C@H]3CC[N@H+](C4CC4)C3)CCOCC2)cc2c1OCO2 ZINC000095420868 463080593 /nfs/dbraw/zinc/08/05/93/463080593.db2.gz WTOFGVJLJAPHTD-INIZCTEOSA-N 2 2 344.455 2.290 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068372227 463128213 /nfs/dbraw/zinc/12/82/13/463128213.db2.gz RQXMVAJQOBJHCZ-MRXNPFEDSA-N 2 2 330.476 2.176 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068372227 463128219 /nfs/dbraw/zinc/12/82/19/463128219.db2.gz RQXMVAJQOBJHCZ-MRXNPFEDSA-N 2 2 330.476 2.176 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC[NH2+]CC2)c(C)c1 ZINC000568608590 468361943 /nfs/dbraw/zinc/36/19/43/468361943.db2.gz MCCHIOVAEMSXIC-SFHVURJKSA-N 2 2 341.459 2.246 10 0 EEAELP C[N@H+](CCC(=O)OC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915779 463497016 /nfs/dbraw/zinc/49/70/16/463497016.db2.gz SGQZPFSFCVISFZ-UHFFFAOYSA-N 2 2 336.480 2.011 10 0 EEAELP C[N@@H+](CCC(=O)OC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915779 463497021 /nfs/dbraw/zinc/49/70/21/463497021.db2.gz SGQZPFSFCVISFZ-UHFFFAOYSA-N 2 2 336.480 2.011 10 0 EEAELP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000058370162 463587534 /nfs/dbraw/zinc/58/75/34/463587534.db2.gz YVJFQYFFNYIPFC-DLBZAZTESA-N 2 2 330.476 2.146 10 0 EEAELP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000058370162 463587536 /nfs/dbraw/zinc/58/75/36/463587536.db2.gz YVJFQYFFNYIPFC-DLBZAZTESA-N 2 2 330.476 2.146 10 0 EEAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(F)CC[NH2+]C3)n2)C1 ZINC000163606890 463600138 /nfs/dbraw/zinc/60/01/38/463600138.db2.gz MFDVFVHRKQRALE-ABAIWWIYSA-N 2 2 326.441 2.015 10 0 EEAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(F)CC[NH2+]C3)n2)C1 ZINC000163606890 463600141 /nfs/dbraw/zinc/60/01/41/463600141.db2.gz MFDVFVHRKQRALE-ABAIWWIYSA-N 2 2 326.441 2.015 10 0 EEAELP CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCc1ccc(SC(F)(F)F)cc1 ZINC000085388663 463648329 /nfs/dbraw/zinc/64/83/29/463648329.db2.gz GABDRSIISPJAFI-UHFFFAOYSA-N 2 2 347.366 2.411 10 0 EEAELP COc1c(C)c[nH+]c(CN2CCCC[C@H]2C[NH+]2CCOCC2)c1C ZINC000110031466 463654938 /nfs/dbraw/zinc/65/49/38/463654938.db2.gz TZBDJMUOBIGSIH-KRWDZBQOSA-N 2 2 333.476 2.394 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000177456461 463708991 /nfs/dbraw/zinc/70/89/91/463708991.db2.gz UQGKDXLOEVHNPL-DLBZAZTESA-N 2 2 333.480 2.178 10 0 EEAELP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000268909723 463803949 /nfs/dbraw/zinc/80/39/49/463803949.db2.gz MVEDCPPNZVZPMB-OAHLLOKOSA-N 2 2 333.436 2.121 10 0 EEAELP C[C@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000261712885 463835439 /nfs/dbraw/zinc/83/54/39/463835439.db2.gz DVBQGXKHMYBBBJ-HNAYVOBHSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000261712885 463835443 /nfs/dbraw/zinc/83/54/43/463835443.db2.gz DVBQGXKHMYBBBJ-HNAYVOBHSA-N 2 2 349.906 2.415 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000262038404 463931740 /nfs/dbraw/zinc/93/17/40/463931740.db2.gz YEJUZUUZMXWXTA-NMLBUPMWSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000262038404 463931745 /nfs/dbraw/zinc/93/17/45/463931745.db2.gz YEJUZUUZMXWXTA-NMLBUPMWSA-N 2 2 329.488 2.008 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279949276 464168876 /nfs/dbraw/zinc/16/88/76/464168876.db2.gz SCJRPNVBUMNZGF-BZSNNMDCSA-N 2 2 349.425 2.453 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279949276 464168880 /nfs/dbraw/zinc/16/88/80/464168880.db2.gz SCJRPNVBUMNZGF-BZSNNMDCSA-N 2 2 349.425 2.453 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279949276 464168883 /nfs/dbraw/zinc/16/88/83/464168883.db2.gz SCJRPNVBUMNZGF-BZSNNMDCSA-N 2 2 349.425 2.453 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279949276 464168886 /nfs/dbraw/zinc/16/88/86/464168886.db2.gz SCJRPNVBUMNZGF-BZSNNMDCSA-N 2 2 349.425 2.453 10 0 EEAELP C[C@H]1CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245745132 464512904 /nfs/dbraw/zinc/51/29/04/464512904.db2.gz XVRFFFITHUETAE-WMLDXEAASA-N 2 2 338.411 2.062 10 0 EEAELP C[C@H]1CC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245745132 464512908 /nfs/dbraw/zinc/51/29/08/464512908.db2.gz XVRFFFITHUETAE-WMLDXEAASA-N 2 2 338.411 2.062 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000579788015 468407859 /nfs/dbraw/zinc/40/78/59/468407859.db2.gz CURFFABQJJCGAR-RHSMWYFYSA-N 2 2 330.476 2.254 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000266911151 464868728 /nfs/dbraw/zinc/86/87/28/464868728.db2.gz SMROAISJABFXTH-WMZOPIPTSA-N 2 2 345.487 2.074 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000266911151 464868732 /nfs/dbraw/zinc/86/87/32/464868732.db2.gz SMROAISJABFXTH-WMZOPIPTSA-N 2 2 345.487 2.074 10 0 EEAELP c1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc(NCC2CC2)[nH+]1 ZINC000340015157 465690207 /nfs/dbraw/zinc/69/02/07/465690207.db2.gz ICJLOYTUCRVRAV-KRWDZBQOSA-N 2 2 345.491 2.380 10 0 EEAELP c1nc(NCC2CC2)cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000340015157 465690212 /nfs/dbraw/zinc/69/02/12/465690212.db2.gz ICJLOYTUCRVRAV-KRWDZBQOSA-N 2 2 345.491 2.380 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000361348610 465927028 /nfs/dbraw/zinc/92/70/28/465927028.db2.gz LZGPGFWIGYELLH-QGZVFWFLSA-N 2 2 346.500 2.418 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000361348610 465927032 /nfs/dbraw/zinc/92/70/32/465927032.db2.gz LZGPGFWIGYELLH-QGZVFWFLSA-N 2 2 346.500 2.418 10 0 EEAELP CCc1cc(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000302083332 466094807 /nfs/dbraw/zinc/09/48/07/466094807.db2.gz JVKXWYJNQMXGQG-OALUTQOASA-N 2 2 338.455 2.437 10 0 EEAELP CCc1cc(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000302083332 466094811 /nfs/dbraw/zinc/09/48/11/466094811.db2.gz JVKXWYJNQMXGQG-OALUTQOASA-N 2 2 338.455 2.437 10 0 EEAELP C[C@@H]1CCCN(c2cc(N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)nc[nH+]2)C1 ZINC000302862430 466200146 /nfs/dbraw/zinc/20/01/46/466200146.db2.gz RBVYMKJDBNMJBA-ZACQAIPSSA-N 2 2 347.507 2.258 10 0 EEAELP C[C@@H]1CCCN(c2cc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nc[nH+]2)C1 ZINC000302862430 466200149 /nfs/dbraw/zinc/20/01/49/466200149.db2.gz RBVYMKJDBNMJBA-ZACQAIPSSA-N 2 2 347.507 2.258 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000363700698 466568704 /nfs/dbraw/zinc/56/87/04/466568704.db2.gz NKKPEIABOJWFML-MRXNPFEDSA-N 2 2 341.459 2.237 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000363700698 466568710 /nfs/dbraw/zinc/56/87/10/466568710.db2.gz NKKPEIABOJWFML-MRXNPFEDSA-N 2 2 341.459 2.237 10 0 EEAELP CCOc1cc(C[N@H+](C)C[C@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000322853067 466635315 /nfs/dbraw/zinc/63/53/15/466635315.db2.gz QLTVXAWQAVLKHB-CYBMUJFWSA-N 2 2 330.375 2.107 10 0 EEAELP CCOc1cc(C[N@@H+](C)C[C@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000322853067 466635318 /nfs/dbraw/zinc/63/53/18/466635318.db2.gz QLTVXAWQAVLKHB-CYBMUJFWSA-N 2 2 330.375 2.107 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000368582885 466675881 /nfs/dbraw/zinc/67/58/81/466675881.db2.gz MFGSXKBISMMABQ-QGZVFWFLSA-N 2 2 337.508 2.012 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000368582885 466675887 /nfs/dbraw/zinc/67/58/87/466675887.db2.gz MFGSXKBISMMABQ-QGZVFWFLSA-N 2 2 337.508 2.012 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1CCC(C)CC1 ZINC000370229168 466805773 /nfs/dbraw/zinc/80/57/73/466805773.db2.gz YFVIJMSZNUNZKO-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC000370229168 466805776 /nfs/dbraw/zinc/80/57/76/466805776.db2.gz YFVIJMSZNUNZKO-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000423830393 466864989 /nfs/dbraw/zinc/86/49/89/466864989.db2.gz QAJLUSNSNLBEMB-FKSAFCJBSA-N 2 2 339.430 2.446 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000423830393 466864993 /nfs/dbraw/zinc/86/49/93/466864993.db2.gz QAJLUSNSNLBEMB-FKSAFCJBSA-N 2 2 339.430 2.446 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000417835515 466951102 /nfs/dbraw/zinc/95/11/02/466951102.db2.gz GHKWBTWKLNBERD-GJZGRUSLSA-N 2 2 329.448 2.051 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000418604650 467135001 /nfs/dbraw/zinc/13/50/01/467135001.db2.gz XWNXVTYPQUMZEV-NVXWUHKLSA-N 2 2 341.459 2.071 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420375958 467383957 /nfs/dbraw/zinc/38/39/57/467383957.db2.gz OSLPWUZTQAEFRA-HXUWFJFHSA-N 2 2 345.487 2.167 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420375958 467383967 /nfs/dbraw/zinc/38/39/67/467383967.db2.gz OSLPWUZTQAEFRA-HXUWFJFHSA-N 2 2 345.487 2.167 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375939 467384636 /nfs/dbraw/zinc/38/46/36/467384636.db2.gz OQOZJSKJTTVIPV-JXFKEZNVSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375939 467384638 /nfs/dbraw/zinc/38/46/38/467384638.db2.gz OQOZJSKJTTVIPV-JXFKEZNVSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000435005396 467441371 /nfs/dbraw/zinc/44/13/71/467441371.db2.gz YRTSUIZHGCUZOP-OAHLLOKOSA-N 2 2 326.444 2.337 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000435005396 467441375 /nfs/dbraw/zinc/44/13/75/467441375.db2.gz YRTSUIZHGCUZOP-OAHLLOKOSA-N 2 2 326.444 2.337 10 0 EEAELP COC1([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CCOCC1 ZINC000453169106 467466143 /nfs/dbraw/zinc/46/61/43/467466143.db2.gz FVRKGQFSIIZLAG-DOTOQJQBSA-N 2 2 348.491 2.218 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449022940 467613182 /nfs/dbraw/zinc/61/31/82/467613182.db2.gz LZZDGWGYAHHVHA-KRWDZBQOSA-N 2 2 328.460 2.430 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449022940 467613183 /nfs/dbraw/zinc/61/31/83/467613183.db2.gz LZZDGWGYAHHVHA-KRWDZBQOSA-N 2 2 328.460 2.430 10 0 EEAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(C)c1 ZINC000449391047 467636284 /nfs/dbraw/zinc/63/62/84/467636284.db2.gz HMJKXNBIBIOKNG-ZWKOTPCHSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(C)c1 ZINC000449391047 467636286 /nfs/dbraw/zinc/63/62/86/467636286.db2.gz HMJKXNBIBIOKNG-ZWKOTPCHSA-N 2 2 347.503 2.457 10 0 EEAELP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000530245462 467967591 /nfs/dbraw/zinc/96/75/91/467967591.db2.gz YMYWXHLPGQVTPN-YJBOKZPZSA-N 2 2 334.460 2.344 10 0 EEAELP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000530245462 467967593 /nfs/dbraw/zinc/96/75/93/467967593.db2.gz YMYWXHLPGQVTPN-YJBOKZPZSA-N 2 2 334.460 2.344 10 0 EEAELP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000519539540 468169114 /nfs/dbraw/zinc/16/91/14/468169114.db2.gz JKEZGZTUUAGRHP-KRWDZBQOSA-N 2 2 342.418 2.117 10 0 EEAELP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000519539540 468169118 /nfs/dbraw/zinc/16/91/18/468169118.db2.gz JKEZGZTUUAGRHP-KRWDZBQOSA-N 2 2 342.418 2.117 10 0 EEAELP Cc1nocc1CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000549780482 468196851 /nfs/dbraw/zinc/19/68/51/468196851.db2.gz VSNQMBQSACYFLH-UHFFFAOYSA-N 2 2 341.415 2.346 10 0 EEAELP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000568044055 468264616 /nfs/dbraw/zinc/26/46/16/468264616.db2.gz QDBQGKJZQMBUBW-IRXDYDNUSA-N 2 2 347.507 2.259 10 0 EEAELP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000568044055 468264621 /nfs/dbraw/zinc/26/46/21/468264621.db2.gz QDBQGKJZQMBUBW-IRXDYDNUSA-N 2 2 347.507 2.259 10 0 EEAELP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000569854656 468554112 /nfs/dbraw/zinc/55/41/12/468554112.db2.gz HVUQUWKARCRDKB-DLBZAZTESA-N 2 2 347.503 2.261 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000570307260 468621057 /nfs/dbraw/zinc/62/10/57/468621057.db2.gz PRIPRQAVVMXBEV-SJLPKXTDSA-N 2 2 341.459 2.245 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000570513019 468650022 /nfs/dbraw/zinc/65/00/22/468650022.db2.gz WGIKNBKPJMOQSW-DPDCMNJDSA-N 2 2 340.418 2.135 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000570513019 468650027 /nfs/dbraw/zinc/65/00/27/468650027.db2.gz WGIKNBKPJMOQSW-DPDCMNJDSA-N 2 2 340.418 2.135 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000572411853 468929287 /nfs/dbraw/zinc/92/92/87/468929287.db2.gz HLZGRFIUXZYLAR-INIZCTEOSA-N 2 2 347.438 2.242 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c2[nH+]ccn21 ZINC000572601563 468956169 /nfs/dbraw/zinc/95/61/69/468956169.db2.gz CSKZPCDQECBXFH-PVAVHDDUSA-N 2 2 341.459 2.361 10 0 EEAELP CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595890488 469066319 /nfs/dbraw/zinc/06/63/19/469066319.db2.gz DHWKAGTVZGRPGJ-DLBZAZTESA-N 2 2 332.444 2.134 10 0 EEAELP CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595890488 469066324 /nfs/dbraw/zinc/06/63/24/469066324.db2.gz DHWKAGTVZGRPGJ-DLBZAZTESA-N 2 2 332.444 2.134 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000563150275 469182602 /nfs/dbraw/zinc/18/26/02/469182602.db2.gz NNEQBHJBZBKNDK-LJQANCHMSA-N 2 2 344.459 2.027 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1C ZINC000563150275 469182609 /nfs/dbraw/zinc/18/26/09/469182609.db2.gz NNEQBHJBZBKNDK-LJQANCHMSA-N 2 2 344.459 2.027 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000599307792 469204550 /nfs/dbraw/zinc/20/45/50/469204550.db2.gz ZNCWDLIJABFTEI-UHOSZYNNSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000599307792 469204553 /nfs/dbraw/zinc/20/45/53/469204553.db2.gz ZNCWDLIJABFTEI-UHOSZYNNSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000599307792 469204562 /nfs/dbraw/zinc/20/45/62/469204562.db2.gz ZNCWDLIJABFTEI-UHOSZYNNSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000599307792 469204566 /nfs/dbraw/zinc/20/45/66/469204566.db2.gz ZNCWDLIJABFTEI-UHOSZYNNSA-N 2 2 348.487 2.285 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000616243553 469405803 /nfs/dbraw/zinc/40/58/03/469405803.db2.gz XXEZODPOJAAHOK-LBPRGKRZSA-N 2 2 346.406 2.233 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000616243553 469405804 /nfs/dbraw/zinc/40/58/04/469405804.db2.gz XXEZODPOJAAHOK-LBPRGKRZSA-N 2 2 346.406 2.233 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[N@@H+]1Cc1ccccc1 ZINC000612300309 469432509 /nfs/dbraw/zinc/43/25/09/469432509.db2.gz MGTMXXXLUNAYHO-PVAVHDDUSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[N@H+]1Cc1ccccc1 ZINC000612300309 469432513 /nfs/dbraw/zinc/43/25/13/469432513.db2.gz MGTMXXXLUNAYHO-PVAVHDDUSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C[N@@H+]1Cc1ccccc1 ZINC000612300309 469432518 /nfs/dbraw/zinc/43/25/18/469432518.db2.gz MGTMXXXLUNAYHO-PVAVHDDUSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C[N@H+]1Cc1ccccc1 ZINC000612300309 469432522 /nfs/dbraw/zinc/43/25/22/469432522.db2.gz MGTMXXXLUNAYHO-PVAVHDDUSA-N 2 2 338.455 2.294 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@@H](CCF)C3)c2cc1C ZINC000626002274 469465332 /nfs/dbraw/zinc/46/53/32/469465332.db2.gz JZMKKXIXRBGYRQ-HOTGVXAUSA-N 2 2 335.423 2.074 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@@H](CCF)C3)c2cc1C ZINC000626002274 469465336 /nfs/dbraw/zinc/46/53/36/469465336.db2.gz JZMKKXIXRBGYRQ-HOTGVXAUSA-N 2 2 335.423 2.074 10 0 EEAELP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1ccc(C)cc1 ZINC000629520588 469571887 /nfs/dbraw/zinc/57/18/87/469571887.db2.gz HEFYWQYDXWOXKH-CQSZACIVSA-N 2 2 329.448 2.043 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000617014771 469573908 /nfs/dbraw/zinc/57/39/08/469573908.db2.gz PEXRENJPJBADLY-VQHPVUNQSA-N 2 2 339.524 2.109 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000617014771 469573913 /nfs/dbraw/zinc/57/39/13/469573913.db2.gz PEXRENJPJBADLY-VQHPVUNQSA-N 2 2 339.524 2.109 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428916 469654000 /nfs/dbraw/zinc/65/40/00/469654000.db2.gz DXDBWUQUYQDPEB-QUCCMNQESA-N 3 2 331.504 2.086 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428916 469654005 /nfs/dbraw/zinc/65/40/05/469654005.db2.gz DXDBWUQUYQDPEB-QUCCMNQESA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623428916 469654008 /nfs/dbraw/zinc/65/40/08/469654008.db2.gz DXDBWUQUYQDPEB-QUCCMNQESA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+]1CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623428916 469654012 /nfs/dbraw/zinc/65/40/12/469654012.db2.gz DXDBWUQUYQDPEB-QUCCMNQESA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC000623639143 469719728 /nfs/dbraw/zinc/71/97/28/469719728.db2.gz ASFNJQFFBIVRPV-HYVNUMGLSA-N 2 2 348.516 2.072 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC000623639143 469719732 /nfs/dbraw/zinc/71/97/32/469719732.db2.gz ASFNJQFFBIVRPV-HYVNUMGLSA-N 2 2 348.516 2.072 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000617551771 469722830 /nfs/dbraw/zinc/72/28/30/469722830.db2.gz ZEMQZYJUEFNRPO-NEPJUHHUSA-N 2 2 332.370 2.009 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@@H+](C)C1 ZINC000617551771 469722833 /nfs/dbraw/zinc/72/28/33/469722833.db2.gz ZEMQZYJUEFNRPO-NEPJUHHUSA-N 2 2 332.370 2.009 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1F ZINC000617765526 469795461 /nfs/dbraw/zinc/79/54/61/469795461.db2.gz FDESHRYPSWGWDB-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C(F)(F)F)ccc1F ZINC000617765526 469795465 /nfs/dbraw/zinc/79/54/65/469795465.db2.gz FDESHRYPSWGWDB-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000627167035 469831758 /nfs/dbraw/zinc/83/17/58/469831758.db2.gz UJXOFMACHDIIJF-DLBZAZTESA-N 2 2 341.459 2.213 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[NH2+]1 ZINC000627207631 469844491 /nfs/dbraw/zinc/84/44/91/469844491.db2.gz QTVKAZZDLGPJNG-OAGGEKHMSA-N 2 2 345.491 2.249 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000608648144 469853170 /nfs/dbraw/zinc/85/31/70/469853170.db2.gz NVWFAQZUOANOLV-IAGOWNOFSA-N 2 2 341.459 2.097 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000608648144 469853173 /nfs/dbraw/zinc/85/31/73/469853173.db2.gz NVWFAQZUOANOLV-IAGOWNOFSA-N 2 2 341.459 2.097 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000620623968 469877759 /nfs/dbraw/zinc/87/77/59/469877759.db2.gz JZBMLYHKEHSRHB-GOSISDBHSA-N 2 2 347.503 2.124 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000620623968 469877765 /nfs/dbraw/zinc/87/77/65/469877765.db2.gz JZBMLYHKEHSRHB-GOSISDBHSA-N 2 2 347.503 2.124 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000620623968 469877770 /nfs/dbraw/zinc/87/77/70/469877770.db2.gz JZBMLYHKEHSRHB-GOSISDBHSA-N 2 2 347.503 2.124 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000620623968 469877773 /nfs/dbraw/zinc/87/77/73/469877773.db2.gz JZBMLYHKEHSRHB-GOSISDBHSA-N 2 2 347.503 2.124 10 0 EEAELP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631091934 470066543 /nfs/dbraw/zinc/06/65/43/470066543.db2.gz SGDVLTUJXCBPTD-OALUTQOASA-N 2 2 332.492 2.151 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNc2nccn3nc(C4CCC4)cc23)CC1 ZINC000631148151 470079606 /nfs/dbraw/zinc/07/96/06/470079606.db2.gz SUJLUBDPNXXVGX-UHFFFAOYSA-N 2 2 342.491 2.435 10 0 EEAELP Cc1nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(N)[nH+]1 ZINC000631205070 470091900 /nfs/dbraw/zinc/09/19/00/470091900.db2.gz WRQOBHQDPNMRII-BRWVUGGUSA-N 2 2 338.459 2.475 10 0 EEAELP Cc1nc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(N)[nH+]1 ZINC000631205070 470091902 /nfs/dbraw/zinc/09/19/02/470091902.db2.gz WRQOBHQDPNMRII-BRWVUGGUSA-N 2 2 338.459 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000631205070 470091905 /nfs/dbraw/zinc/09/19/05/470091905.db2.gz WRQOBHQDPNMRII-BRWVUGGUSA-N 2 2 338.459 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000631205070 470091908 /nfs/dbraw/zinc/09/19/08/470091908.db2.gz WRQOBHQDPNMRII-BRWVUGGUSA-N 2 2 338.459 2.475 10 0 EEAELP COc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1OC1CC1 ZINC000628351922 470095622 /nfs/dbraw/zinc/09/56/22/470095622.db2.gz SACYLWGSHINFED-QGZVFWFLSA-N 2 2 346.471 2.267 10 0 EEAELP COc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1OC1CC1 ZINC000628351922 470095624 /nfs/dbraw/zinc/09/56/24/470095624.db2.gz SACYLWGSHINFED-QGZVFWFLSA-N 2 2 346.471 2.267 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nccc4ccsc43)C2)CC1 ZINC000625518560 470159525 /nfs/dbraw/zinc/15/95/25/470159525.db2.gz CZUJNLKKSKOVCY-CQSZACIVSA-N 2 2 344.484 2.195 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nccc4ccsc43)C2)CC1 ZINC000625518560 470159526 /nfs/dbraw/zinc/15/95/26/470159526.db2.gz CZUJNLKKSKOVCY-CQSZACIVSA-N 2 2 344.484 2.195 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)CC2 ZINC000625642703 470167891 /nfs/dbraw/zinc/16/78/91/470167891.db2.gz VQDLXBUBJWDSLW-HNNXBMFYSA-N 2 2 344.434 2.271 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839485 470186673 /nfs/dbraw/zinc/18/66/73/470186673.db2.gz HCFMUHKFZIRWTA-HZSPNIEDSA-N 2 2 346.500 2.170 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839485 470186674 /nfs/dbraw/zinc/18/66/74/470186674.db2.gz HCFMUHKFZIRWTA-HZSPNIEDSA-N 2 2 346.500 2.170 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887084 470189422 /nfs/dbraw/zinc/18/94/22/470189422.db2.gz MDCYIQUNQQWWQN-WDSOQIARSA-N 2 2 329.488 2.116 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887084 470189423 /nfs/dbraw/zinc/18/94/23/470189423.db2.gz MDCYIQUNQQWWQN-WDSOQIARSA-N 2 2 329.488 2.116 10 0 EEAELP OCC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000646017227 470494726 /nfs/dbraw/zinc/49/47/26/470494726.db2.gz IUKWUXDDRIFZFL-CQSZACIVSA-N 2 2 329.322 2.495 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)C2)CC1 ZINC000642399026 470550130 /nfs/dbraw/zinc/55/01/30/470550130.db2.gz MVXCRBYJPKPVFU-WMZOPIPTSA-N 2 2 346.519 2.129 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)C2)CC1 ZINC000642399026 470550136 /nfs/dbraw/zinc/55/01/36/470550136.db2.gz MVXCRBYJPKPVFU-WMZOPIPTSA-N 2 2 346.519 2.129 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269513 470587165 /nfs/dbraw/zinc/58/71/65/470587165.db2.gz IEMAJBWXGFYHEG-UKRRQHHQSA-N 2 2 327.831 2.468 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269513 470587171 /nfs/dbraw/zinc/58/71/71/470587171.db2.gz IEMAJBWXGFYHEG-UKRRQHHQSA-N 2 2 327.831 2.468 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[NH+]2CCCC2)o1 ZINC000635468953 470604574 /nfs/dbraw/zinc/60/45/74/470604574.db2.gz GVTMFNCFWOITDQ-FMKPAKJESA-N 2 2 328.416 2.368 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[NH+]2CCCC2)o1 ZINC000635468953 470604581 /nfs/dbraw/zinc/60/45/81/470604581.db2.gz GVTMFNCFWOITDQ-FMKPAKJESA-N 2 2 328.416 2.368 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1=O ZINC000647299509 470878299 /nfs/dbraw/zinc/87/82/99/470878299.db2.gz OESDRYROZBLQHR-ZDUSSCGKSA-N 2 2 326.391 2.079 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899715 471010336 /nfs/dbraw/zinc/01/03/36/471010336.db2.gz SXOOLFXAIIMSEE-WMZOPIPTSA-N 2 2 345.487 2.118 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899715 471010338 /nfs/dbraw/zinc/01/03/38/471010338.db2.gz SXOOLFXAIIMSEE-WMZOPIPTSA-N 2 2 345.487 2.118 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cn21 ZINC000648211525 471125266 /nfs/dbraw/zinc/12/52/66/471125266.db2.gz UQAMGVKYKWBSNC-OIISXLGYSA-N 2 2 326.444 2.222 10 0 EEAELP C[NH+](C)CCc1ccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651857517 471146343 /nfs/dbraw/zinc/14/63/43/471146343.db2.gz FRFAYYAUGHNQDL-UHFFFAOYSA-N 2 2 340.471 2.182 10 0 EEAELP COc1ccc(C2CC[NH+](Cc3c[nH+]c(N(C)C)n3C)CC2)nc1 ZINC000651869750 471151607 /nfs/dbraw/zinc/15/16/07/471151607.db2.gz CKSQOMVKPVPXPX-UHFFFAOYSA-N 2 2 329.448 2.269 10 0 EEAELP C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000651495043 471188924 /nfs/dbraw/zinc/18/89/24/471188924.db2.gz YRPHITVJUXXQDT-GOEBONIOSA-N 2 2 327.432 2.068 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@H]1C[NH3+] ZINC000652356596 471278111 /nfs/dbraw/zinc/27/81/11/471278111.db2.gz VZYUBTLBFUWZOW-XNRPHZJLSA-N 2 2 346.431 2.102 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@H]1C[NH3+] ZINC000652356596 471278113 /nfs/dbraw/zinc/27/81/13/471278113.db2.gz VZYUBTLBFUWZOW-XNRPHZJLSA-N 2 2 346.431 2.102 10 0 EEAELP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000655243313 471290350 /nfs/dbraw/zinc/29/03/50/471290350.db2.gz WMHHGZHHBRBILT-ZJPYXAASSA-N 2 2 339.524 2.111 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000660496218 471365211 /nfs/dbraw/zinc/36/52/11/471365211.db2.gz NFOFYOADSAXJFG-KRWDZBQOSA-N 2 2 330.476 2.174 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000660496218 471365218 /nfs/dbraw/zinc/36/52/18/471365218.db2.gz NFOFYOADSAXJFG-KRWDZBQOSA-N 2 2 330.476 2.174 10 0 EEAELP CC[C@@H](C)n1nc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000666569755 471451101 /nfs/dbraw/zinc/45/11/01/471451101.db2.gz LGXUKCZSWUCBGU-CQSZACIVSA-N 2 2 338.500 2.168 10 0 EEAELP CC[C@@H](C)n1nc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000666569755 471451105 /nfs/dbraw/zinc/45/11/05/471451105.db2.gz LGXUKCZSWUCBGU-CQSZACIVSA-N 2 2 338.500 2.168 10 0 EEAELP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655757375 471471528 /nfs/dbraw/zinc/47/15/28/471471528.db2.gz GDICJPZMPZOWBM-HXUWFJFHSA-N 2 2 340.471 2.076 10 0 EEAELP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655757375 471471536 /nfs/dbraw/zinc/47/15/36/471471536.db2.gz GDICJPZMPZOWBM-HXUWFJFHSA-N 2 2 340.471 2.076 10 0 EEAELP C[NH+](C)C1CC([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000655790069 471483332 /nfs/dbraw/zinc/48/33/32/471483332.db2.gz FUIZMSXPGDTNMS-UHFFFAOYSA-N 2 2 327.222 2.360 10 0 EEAELP CCN(C(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1CC[N@H+](CC)C1 ZINC000663850389 471548380 /nfs/dbraw/zinc/54/83/80/471548380.db2.gz CZPAFBYROLASCL-GOSISDBHSA-N 2 2 330.476 2.128 10 0 EEAELP CCN(C(=O)NCC[NH+]1Cc2ccccc2C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663850389 471548386 /nfs/dbraw/zinc/54/83/86/471548386.db2.gz CZPAFBYROLASCL-GOSISDBHSA-N 2 2 330.476 2.128 10 0 EEAELP O=C(C[N@H+]1CC[C@@](F)(c2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000669942719 471644180 /nfs/dbraw/zinc/64/41/80/471644180.db2.gz LGDWMIJGNOEMAD-FQEVSTJZSA-N 2 2 345.462 2.300 10 0 EEAELP O=C(C[N@@H+]1CC[C@@](F)(c2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000669942719 471644183 /nfs/dbraw/zinc/64/41/83/471644183.db2.gz LGDWMIJGNOEMAD-FQEVSTJZSA-N 2 2 345.462 2.300 10 0 EEAELP Nc1nc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH+]c2ccccc12 ZINC000664236710 471689594 /nfs/dbraw/zinc/68/95/94/471689594.db2.gz MKAAPIQMYUCVGF-MRXNPFEDSA-N 2 2 349.438 2.391 10 0 EEAELP Nc1nc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH+]c2ccccc12 ZINC000664236710 471689604 /nfs/dbraw/zinc/68/96/04/471689604.db2.gz MKAAPIQMYUCVGF-MRXNPFEDSA-N 2 2 349.438 2.391 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3C[C@@H](C)C(=O)[C@H](C)C3)c2cc1C ZINC000661551096 471802545 /nfs/dbraw/zinc/80/25/45/471802545.db2.gz GKLIKLRTGOHOGL-BZUAXINKSA-N 2 2 329.444 2.171 10 0 EEAELP O=C(CC1CCCC1)NC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667618086 471846061 /nfs/dbraw/zinc/84/60/61/471846061.db2.gz KZRHNOIEKNGPFC-UHFFFAOYSA-N 2 2 330.476 2.490 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030466 471963210 /nfs/dbraw/zinc/96/32/10/471963210.db2.gz FQVALEUJGFOQCX-KBMXLJTQSA-N 2 2 340.427 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030466 471963215 /nfs/dbraw/zinc/96/32/15/471963215.db2.gz FQVALEUJGFOQCX-KBMXLJTQSA-N 2 2 340.427 2.372 10 0 EEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000668062546 471992304 /nfs/dbraw/zinc/99/23/04/471992304.db2.gz MJQMLDOCTXAETO-VAMGGRTRSA-N 2 2 330.472 2.435 10 0 EEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000668062546 471992310 /nfs/dbraw/zinc/99/23/10/471992310.db2.gz MJQMLDOCTXAETO-VAMGGRTRSA-N 2 2 330.472 2.435 10 0 EEAELP CCN(C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662318535 472068035 /nfs/dbraw/zinc/06/80/35/472068035.db2.gz BBVCNGATSGXXHF-MJGOQNOKSA-N 2 2 347.503 2.471 10 0 EEAELP CCN(C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662318535 472068037 /nfs/dbraw/zinc/06/80/37/472068037.db2.gz BBVCNGATSGXXHF-MJGOQNOKSA-N 2 2 347.503 2.471 10 0 EEAELP Cc1cn2cc(NC(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)ccc2[nH+]1 ZINC000665951164 472249449 /nfs/dbraw/zinc/24/94/49/472249449.db2.gz GTFOUABPQKKVBU-INIZCTEOSA-N 2 2 345.447 2.217 10 0 EEAELP C[C@@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000679044525 485572811 /nfs/dbraw/zinc/57/28/11/485572811.db2.gz OPZOFUXPOSLNSX-YLJYHZDGSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000679044525 485572819 /nfs/dbraw/zinc/57/28/19/485572819.db2.gz OPZOFUXPOSLNSX-YLJYHZDGSA-N 2 2 332.488 2.418 10 0 EEAELP COc1cccc(-c2noc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)n2)c1 ZINC000298441303 485627135 /nfs/dbraw/zinc/62/71/35/485627135.db2.gz NNQPKQRASYQJPP-GFCCVEGCSA-N 2 2 327.388 2.372 10 0 EEAELP C[NH+](C)[C@H](C(=O)N1CC[NH+](CCCF)CC1)c1ccc(Cl)cc1 ZINC000627964001 485705046 /nfs/dbraw/zinc/70/50/46/485705046.db2.gz ZVIHFDMHAROVLN-INIZCTEOSA-N 2 2 341.858 2.447 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)C1CCN(c3cc[nH+]cc3C)CC1)CC2 ZINC000679909100 485840551 /nfs/dbraw/zinc/84/05/51/485840551.db2.gz WGHAFPZHBCIMHH-UHFFFAOYSA-N 2 2 339.443 2.154 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)C2)CC1 ZINC000671721224 485985232 /nfs/dbraw/zinc/98/52/32/485985232.db2.gz SXYQDECRTJYSTK-IHRRRGAJSA-N 2 2 347.425 2.250 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC[C@H](C(F)(F)F)C3)C2)CC1 ZINC000671721224 485985238 /nfs/dbraw/zinc/98/52/38/485985238.db2.gz SXYQDECRTJYSTK-IHRRRGAJSA-N 2 2 347.425 2.250 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC([NH+](C)C)CC1 ZINC000681082442 486133204 /nfs/dbraw/zinc/13/32/04/486133204.db2.gz LZGUDXVWTMPLST-AWEZNQCLSA-N 2 2 341.459 2.430 10 0 EEAELP CC(C)n1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000179519412 528560531 /nfs/dbraw/zinc/56/05/31/528560531.db2.gz GUBHLBYKWASACW-UHFFFAOYSA-N 2 2 330.480 2.257 10 0 EEAELP CC(C)n1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000179519412 528560537 /nfs/dbraw/zinc/56/05/37/528560537.db2.gz GUBHLBYKWASACW-UHFFFAOYSA-N 2 2 330.480 2.257 10 0 EEAELP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422691902 535609039 /nfs/dbraw/zinc/60/90/39/535609039.db2.gz JCNBGVMZJNMSKR-VQTJNVASSA-N 3 2 331.504 2.385 10 0 EEAELP CC[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422885085 535805834 /nfs/dbraw/zinc/80/58/34/535805834.db2.gz UAKXFPHYEJRUQN-ATLSCFEFSA-N 2 2 332.492 2.315 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000299738405 564150486 /nfs/dbraw/zinc/15/04/86/564150486.db2.gz AJBLQHNHCWYUOX-GDZNZVCISA-N 2 2 337.414 2.173 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000299738405 564150487 /nfs/dbraw/zinc/15/04/87/564150487.db2.gz AJBLQHNHCWYUOX-GDZNZVCISA-N 2 2 337.414 2.173 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)c3ccnn3C)c2cc1C ZINC000774246089 577391533 /nfs/dbraw/zinc/39/15/33/577391533.db2.gz XHGIPIHRNZHOCS-GJZGRUSLSA-N 2 2 327.432 2.098 10 0 EEAELP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000774677194 577410402 /nfs/dbraw/zinc/41/04/02/577410402.db2.gz URBIUYJPMPUFSH-INIZCTEOSA-N 2 2 336.439 2.241 10 0 EEAELP Cn1c[nH+]cc1[C@H]1CC(=O)N(C[N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000774677194 577410403 /nfs/dbraw/zinc/41/04/03/577410403.db2.gz URBIUYJPMPUFSH-INIZCTEOSA-N 2 2 336.439 2.241 10 0 EEAELP COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000775347790 577435626 /nfs/dbraw/zinc/43/56/26/577435626.db2.gz RVTCGUDBZVTODV-GOEBONIOSA-N 2 2 343.431 2.224 10 0 EEAELP Cc1cc(C)cc(C[N@@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000766093113 577512812 /nfs/dbraw/zinc/51/28/12/577512812.db2.gz SCEOXIIDJUOBEF-KRWDZBQOSA-N 2 2 326.444 2.442 10 0 EEAELP Cc1cc(C)cc(C[N@H+](C)CN2C[C@@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000766093113 577512813 /nfs/dbraw/zinc/51/28/13/577512813.db2.gz SCEOXIIDJUOBEF-KRWDZBQOSA-N 2 2 326.444 2.442 10 0 EEAELP CC(C)Oc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000767463851 577537479 /nfs/dbraw/zinc/53/74/79/577537479.db2.gz XOWPMSVYHJBVSX-LJQANCHMSA-N 2 2 345.487 2.388 10 0 EEAELP CC(C)Oc1ccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000767463851 577537480 /nfs/dbraw/zinc/53/74/80/577537480.db2.gz XOWPMSVYHJBVSX-LJQANCHMSA-N 2 2 345.487 2.388 10 0 EEAELP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H]1CCCOC1 ZINC000895662306 684676129 /nfs/dbraw/zinc/67/61/29/684676129.db2.gz DIHPRLVKGOSNTF-WBVHZDCISA-N 2 2 326.481 2.199 10 0 EEAELP COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1(F)F ZINC000895706032 684690625 /nfs/dbraw/zinc/69/06/25/684690625.db2.gz HHEXZBPWXZIZLR-KFWWJZLASA-N 2 2 335.354 2.268 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000923809755 693282556 /nfs/dbraw/zinc/28/25/56/693282556.db2.gz DPDQERVUHXJWCI-FPCVCCKLSA-N 2 2 331.464 2.197 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000923809755 693282561 /nfs/dbraw/zinc/28/25/61/693282561.db2.gz DPDQERVUHXJWCI-FPCVCCKLSA-N 2 2 331.464 2.197 10 0 EEAELP Cc1nc(C[NH2+][C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)co1 ZINC001266415604 1176506865 /nfs/dbraw/zinc/50/68/65/1176506865.db2.gz XBTJVNMPHKMLCZ-KRWDZBQOSA-N 2 2 339.399 2.158 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480879500 1176677934 /nfs/dbraw/zinc/67/79/34/1176677934.db2.gz PWPGDNXMGAECDT-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480879500 1176677938 /nfs/dbraw/zinc/67/79/38/1176677938.db2.gz PWPGDNXMGAECDT-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480879500 1176677941 /nfs/dbraw/zinc/67/79/41/1176677941.db2.gz PWPGDNXMGAECDT-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001480879500 1176677944 /nfs/dbraw/zinc/67/79/44/1176677944.db2.gz PWPGDNXMGAECDT-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001485818408 1192762458 /nfs/dbraw/zinc/76/24/58/1192762458.db2.gz YWGOPCVWFOMQKO-LJDVBIGZSA-N 2 2 336.867 2.025 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267177924 1178428871 /nfs/dbraw/zinc/42/88/71/1178428871.db2.gz ZOQYZXQIOZLNEQ-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267177924 1178428875 /nfs/dbraw/zinc/42/88/75/1178428875.db2.gz ZOQYZXQIOZLNEQ-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H]1CCOC1 ZINC001267273774 1178656921 /nfs/dbraw/zinc/65/69/21/1178656921.db2.gz LZLOWOPOQUHAPL-OAHLLOKOSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H]1CCOC1 ZINC001267273774 1178656924 /nfs/dbraw/zinc/65/69/24/1178656924.db2.gz LZLOWOPOQUHAPL-OAHLLOKOSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]C[C@H]2CCC(F)(F)C2)c[nH+]1 ZINC001267390607 1178956135 /nfs/dbraw/zinc/95/61/35/1178956135.db2.gz RIDLWAZKFBYOEE-AWEZNQCLSA-N 2 2 342.434 2.410 10 0 EEAELP CN(CC[NH2+]CCc1ccccc1Cl)C(=O)CCn1cc[nH+]c1 ZINC001267410142 1178972696 /nfs/dbraw/zinc/97/26/96/1178972696.db2.gz FEYRIBANLKAVTM-UHFFFAOYSA-N 2 2 334.851 2.217 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)no1 ZINC001267419301 1178985934 /nfs/dbraw/zinc/98/59/34/1178985934.db2.gz LAVUCLIZVXWALH-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)no1 ZINC001267419301 1178985937 /nfs/dbraw/zinc/98/59/37/1178985937.db2.gz LAVUCLIZVXWALH-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCC1CC1 ZINC001267504590 1179203158 /nfs/dbraw/zinc/20/31/58/1179203158.db2.gz VPYFPSICRNFQBC-KRWDZBQOSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCC1CC1 ZINC001267504590 1179203164 /nfs/dbraw/zinc/20/31/64/1179203164.db2.gz VPYFPSICRNFQBC-KRWDZBQOSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001481073243 1179677710 /nfs/dbraw/zinc/67/77/10/1179677710.db2.gz IPXAISRSRVIYLK-MRXNPFEDSA-N 2 2 332.835 2.317 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001481073243 1179677715 /nfs/dbraw/zinc/67/77/15/1179677715.db2.gz IPXAISRSRVIYLK-MRXNPFEDSA-N 2 2 332.835 2.317 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481098816 1179736518 /nfs/dbraw/zinc/73/65/18/1179736518.db2.gz HWMWOUJIUMNFOY-YRLOJYSSSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481098816 1179736520 /nfs/dbraw/zinc/73/65/20/1179736520.db2.gz HWMWOUJIUMNFOY-YRLOJYSSSA-N 2 2 330.476 2.240 10 0 EEAELP CN(CC[NH2+]Cc1ccccc1Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001481281154 1180781716 /nfs/dbraw/zinc/78/17/16/1180781716.db2.gz BXUVWSWZKGGYSF-HUUCEWRRSA-N 2 2 346.862 2.425 10 0 EEAELP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001272741728 1193066794 /nfs/dbraw/zinc/06/67/94/1193066794.db2.gz FSSBGHCWNHBUJA-BZUAXINKSA-N 2 2 336.455 2.070 10 0 EEAELP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481486035 1181538702 /nfs/dbraw/zinc/53/87/02/1181538702.db2.gz NXMNYGDQTYSRCK-INIZCTEOSA-N 2 2 332.492 2.342 10 0 EEAELP CCCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481486035 1181538709 /nfs/dbraw/zinc/53/87/09/1181538709.db2.gz NXMNYGDQTYSRCK-INIZCTEOSA-N 2 2 332.492 2.342 10 0 EEAELP CC[C@@H](C(=O)NCC1C[NH+]([C@@H](C)c2cnc(C)cn2)C1)[NH+](CC)CC ZINC001481645818 1182058675 /nfs/dbraw/zinc/05/86/75/1182058675.db2.gz XYXFKHKYCBAQLS-YJBOKZPZSA-N 2 2 347.507 2.014 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2ccc(F)c(Cl)c2)C1 ZINC001481659058 1182156425 /nfs/dbraw/zinc/15/64/25/1182156425.db2.gz XZRYOFLOAZIPEL-UHFFFAOYSA-N 2 2 339.842 2.123 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC[C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001268414838 1182571676 /nfs/dbraw/zinc/57/16/76/1182571676.db2.gz MRXFSZJZCNXYSB-AWEZNQCLSA-N 2 2 332.423 2.095 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001481999882 1183113872 /nfs/dbraw/zinc/11/38/72/1183113872.db2.gz YOCSCOCQTABXDB-SFHVURJKSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001481999882 1183113876 /nfs/dbraw/zinc/11/38/76/1183113876.db2.gz YOCSCOCQTABXDB-SFHVURJKSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001268695208 1183617379 /nfs/dbraw/zinc/61/73/79/1183617379.db2.gz RIESURWMNOZABA-LBPRGKRZSA-N 2 2 343.456 2.050 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001269770424 1184609556 /nfs/dbraw/zinc/60/95/56/1184609556.db2.gz LMWTYYLZXRBSGX-GVDBMIGSSA-N 2 2 330.476 2.152 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC(CC[NH2+]Cc2cscn2)CC1 ZINC001269889096 1184694793 /nfs/dbraw/zinc/69/47/93/1184694793.db2.gz JKZQZEISFQBCEH-UHFFFAOYSA-N 2 2 347.488 2.148 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482340565 1185439034 /nfs/dbraw/zinc/43/90/34/1185439034.db2.gz JMNNFIOVCILQEI-VXGBXAGGSA-N 2 2 349.504 2.298 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482340565 1185439035 /nfs/dbraw/zinc/43/90/35/1185439035.db2.gz JMNNFIOVCILQEI-VXGBXAGGSA-N 2 2 349.504 2.298 10 0 EEAELP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482373076 1185541771 /nfs/dbraw/zinc/54/17/71/1185541771.db2.gz GQGSMYRXZIGSBE-STQMWFEESA-N 2 2 336.386 2.359 10 0 EEAELP CC(C)C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)Cn1cc[nH+]c1 ZINC001482400609 1185614163 /nfs/dbraw/zinc/61/41/63/1185614163.db2.gz OSASQDKFJIRXJC-CABCVRRESA-N 2 2 342.434 2.439 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001271074026 1185859095 /nfs/dbraw/zinc/85/90/95/1185859095.db2.gz CZHFVCQPTQKPAR-SJLPKXTDSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001271074026 1185859100 /nfs/dbraw/zinc/85/91/00/1185859100.db2.gz CZHFVCQPTQKPAR-SJLPKXTDSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C/CC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001280414865 1186375655 /nfs/dbraw/zinc/37/56/55/1186375655.db2.gz DZTMJCFXGBYUKQ-IWAYRVGRSA-N 2 2 339.524 2.138 10 0 EEAELP CC/C=C/CC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001280414865 1186375658 /nfs/dbraw/zinc/37/56/58/1186375658.db2.gz DZTMJCFXGBYUKQ-IWAYRVGRSA-N 2 2 339.524 2.138 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001280414865 1186375660 /nfs/dbraw/zinc/37/56/60/1186375660.db2.gz DZTMJCFXGBYUKQ-IWAYRVGRSA-N 2 2 339.524 2.138 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001280414865 1186375664 /nfs/dbraw/zinc/37/56/64/1186375664.db2.gz DZTMJCFXGBYUKQ-IWAYRVGRSA-N 2 2 339.524 2.138 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H](CNC(=O)Cc2c[nH+]cn2C)C(C)C)c1 ZINC001482565235 1186852766 /nfs/dbraw/zinc/85/27/66/1186852766.db2.gz JVZVJVJWONLSCK-GOSISDBHSA-N 2 2 346.450 2.341 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)o1 ZINC001482603552 1187351998 /nfs/dbraw/zinc/35/19/98/1187351998.db2.gz JLMHJLGGRACRCJ-HZPDHXFCSA-N 2 2 336.480 2.309 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)o1 ZINC001482603552 1187352002 /nfs/dbraw/zinc/35/20/02/1187352002.db2.gz JLMHJLGGRACRCJ-HZPDHXFCSA-N 2 2 336.480 2.309 10 0 EEAELP Cc1cnc([C@@H](C)[NH+](C)CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001482603552 1187352004 /nfs/dbraw/zinc/35/20/04/1187352004.db2.gz JLMHJLGGRACRCJ-HZPDHXFCSA-N 2 2 336.480 2.309 10 0 EEAELP Cc1cnc([C@@H](C)[NH+](C)CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)o1 ZINC001482603552 1187352007 /nfs/dbraw/zinc/35/20/07/1187352007.db2.gz JLMHJLGGRACRCJ-HZPDHXFCSA-N 2 2 336.480 2.309 10 0 EEAELP CC(C)C[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccccn1)n1cc[nH+]c1 ZINC001482606162 1187361977 /nfs/dbraw/zinc/36/19/77/1187361977.db2.gz OTXBMOHCVUWGBF-GOSISDBHSA-N 2 2 343.475 2.456 10 0 EEAELP CC(C)C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccccn1)n1cc[nH+]c1 ZINC001482606162 1187361981 /nfs/dbraw/zinc/36/19/81/1187361981.db2.gz OTXBMOHCVUWGBF-GOSISDBHSA-N 2 2 343.475 2.456 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)CCc1c[nH+]cn1C ZINC001482967301 1187904838 /nfs/dbraw/zinc/90/48/38/1187904838.db2.gz GRALNHOGDYKVMP-UHFFFAOYSA-N 2 2 332.423 2.130 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483028423 1188039384 /nfs/dbraw/zinc/03/93/84/1188039384.db2.gz GMVSESFOACWZSU-LAQIPUCWSA-N 2 2 330.476 2.288 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1)c1ccc2c(c1)CCC2 ZINC001483064470 1188385124 /nfs/dbraw/zinc/38/51/24/1188385124.db2.gz KCENVEIGOAZVKR-GWQWAINWSA-N 2 2 338.455 2.464 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C\CNC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001483079994 1188441011 /nfs/dbraw/zinc/44/10/11/1188441011.db2.gz ZZOBWQQZUQWPOB-YIEVGGLXSA-N 2 2 334.464 2.038 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC001483100966 1188478074 /nfs/dbraw/zinc/47/80/74/1188478074.db2.gz RHRCWKDMNPDWNL-ZRMMWKCHSA-N 2 2 334.370 2.185 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CC[C@H]3CCCCO3)ccn12 ZINC001483129294 1188612189 /nfs/dbraw/zinc/61/21/89/1188612189.db2.gz SYMJLCMLGJJMSQ-RHSMWYFYSA-N 2 2 344.459 2.310 10 0 EEAELP Cc1ncccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001483137871 1188687032 /nfs/dbraw/zinc/68/70/32/1188687032.db2.gz GLQRSBXLXCJFQW-QAPCUYQASA-N 2 2 343.475 2.468 10 0 EEAELP CC(C)C[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1nccs1)n1cc[nH+]c1 ZINC001483138799 1188690984 /nfs/dbraw/zinc/69/09/84/1188690984.db2.gz USXZHXFJGPVOPX-KGLIPLIRSA-N 2 2 335.477 2.221 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001272873045 1193587883 /nfs/dbraw/zinc/58/78/83/1193587883.db2.gz FOJUMDINQPKPOE-AEFFLSMTSA-N 2 2 340.471 2.173 10 0 EEAELP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001409445178 1189687397 /nfs/dbraw/zinc/68/73/97/1189687397.db2.gz IJLXQYDVDXHLQZ-GJZGRUSLSA-N 2 2 338.471 2.268 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001485903908 1193634611 /nfs/dbraw/zinc/63/46/11/1193634611.db2.gz BEQNOIIXSVLUBV-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccc(C2CC2)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483387475 1190429952 /nfs/dbraw/zinc/42/99/52/1190429952.db2.gz BBSKMOYWXTVIQY-AWEZNQCLSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccc(C2CC2)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483387475 1190429953 /nfs/dbraw/zinc/42/99/53/1190429953.db2.gz BBSKMOYWXTVIQY-AWEZNQCLSA-N 2 2 326.444 2.466 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cnc(Cl)s1 ZINC001483421258 1190468252 /nfs/dbraw/zinc/46/82/52/1190468252.db2.gz PFSSFZPCTKTENX-NSHDSACASA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnc(Cl)s1 ZINC001483421258 1190468254 /nfs/dbraw/zinc/46/82/54/1190468254.db2.gz PFSSFZPCTKTENX-NSHDSACASA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cnc(Cl)s1 ZINC001483421258 1190468256 /nfs/dbraw/zinc/46/82/56/1190468256.db2.gz PFSSFZPCTKTENX-NSHDSACASA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cnc(Cl)s1 ZINC001483421258 1190468258 /nfs/dbraw/zinc/46/82/58/1190468258.db2.gz PFSSFZPCTKTENX-NSHDSACASA-N 2 2 332.901 2.073 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001483675852 1190735409 /nfs/dbraw/zinc/73/54/09/1190735409.db2.gz IJGCNGUPBAZROA-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001483675852 1190735413 /nfs/dbraw/zinc/73/54/13/1190735413.db2.gz IJGCNGUPBAZROA-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP O=C(NCC1([NH2+]C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483742379 1190893590 /nfs/dbraw/zinc/89/35/90/1190893590.db2.gz JOKWSWMBVHQROQ-GGVHLCNSSA-N 2 2 336.439 2.465 10 0 EEAELP O=C(NCC1([NH2+]C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483742379 1190893593 /nfs/dbraw/zinc/89/35/93/1190893593.db2.gz JOKWSWMBVHQROQ-GGVHLCNSSA-N 2 2 336.439 2.465 10 0 EEAELP CC(C)C[C@H](C(=O)N(C)C1C[NH+](C[C@@H]2CCCOC2)C1)n1cc[nH+]c1 ZINC001483867785 1191098525 /nfs/dbraw/zinc/09/85/25/1191098525.db2.gz KAYJCZCYUHHUHS-FUHWJXTLSA-N 2 2 348.491 2.040 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001484113765 1191214321 /nfs/dbraw/zinc/21/43/21/1191214321.db2.gz ISYMVCJEYFHIGC-KDOFPFPSSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001484128902 1191225377 /nfs/dbraw/zinc/22/53/77/1191225377.db2.gz SGIXGNLZGVEURA-IBGZPJMESA-N 2 2 344.434 2.359 10 0 EEAELP CCc1nocc1C[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001485106179 1191656236 /nfs/dbraw/zinc/65/62/36/1191656236.db2.gz VQNVHVBCZUYGAT-HLIUYOAVSA-N 2 2 345.447 2.069 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001485175561 1191676919 /nfs/dbraw/zinc/67/69/19/1191676919.db2.gz DSXQOLIJMOZEFA-ZIAGYGMSSA-N 2 2 347.463 2.242 10 0 EEAELP C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001485177159 1191677786 /nfs/dbraw/zinc/67/77/86/1191677786.db2.gz NBIDDLZGVZHMFL-OLZOCXBDSA-N 2 2 335.839 2.005 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001485214963 1191696838 /nfs/dbraw/zinc/69/68/38/1191696838.db2.gz GPUVDIWMBXYBJD-NWDGAFQWSA-N 2 2 348.422 2.091 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001485231098 1191699598 /nfs/dbraw/zinc/69/95/98/1191699598.db2.gz CBDSIEFNOLNZOI-CABCVRRESA-N 2 2 332.423 2.485 10 0 EEAELP CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486370841 1193874217 /nfs/dbraw/zinc/87/42/17/1193874217.db2.gz ANKRPVYEJGGGBV-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001486370841 1193874221 /nfs/dbraw/zinc/87/42/21/1193874221.db2.gz ANKRPVYEJGGGBV-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccon2)CC1)[NH+]1CCCC1 ZINC001486522177 1194044767 /nfs/dbraw/zinc/04/47/67/1194044767.db2.gz ZDSPMYYGJVWLGV-SFHVURJKSA-N 2 2 346.475 2.043 10 0 EEAELP CC(C)[C@@H](C(=O)NCC1=CC[N@@H+](Cc2ccon2)CC1)[NH+]1CCCC1 ZINC001486522177 1194044769 /nfs/dbraw/zinc/04/47/69/1194044769.db2.gz ZDSPMYYGJVWLGV-SFHVURJKSA-N 2 2 346.475 2.043 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001273067719 1194366565 /nfs/dbraw/zinc/36/65/65/1194366565.db2.gz VCTPRAGRAPJPDF-VXGBXAGGSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001273067719 1194366569 /nfs/dbraw/zinc/36/65/69/1194366569.db2.gz VCTPRAGRAPJPDF-VXGBXAGGSA-N 2 2 335.477 2.038 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCc1c[nH+]cn1C ZINC001273150294 1197064973 /nfs/dbraw/zinc/06/49/73/1197064973.db2.gz KPBYYWYLUKUHEM-CYBMUJFWSA-N 2 2 349.866 2.086 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001410331552 1197714740 /nfs/dbraw/zinc/71/47/40/1197714740.db2.gz RPCCGFISSDZSEK-LRDDRELGSA-N 2 2 347.488 2.072 10 0 EEAELP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866233548 1201472690 /nfs/dbraw/zinc/47/26/90/1201472690.db2.gz VOYXCZNVTLUMCY-MJGOQNOKSA-N 2 2 335.467 2.466 10 0 EEAELP CCN1CC[NH+](CCCC[NH2+][C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866233548 1201472692 /nfs/dbraw/zinc/47/26/92/1201472692.db2.gz VOYXCZNVTLUMCY-MJGOQNOKSA-N 2 2 335.467 2.466 10 0 EEAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1 ZINC000869106436 1201941487 /nfs/dbraw/zinc/94/14/87/1201941487.db2.gz NQTDBQVXCCJHTD-WMZOPIPTSA-N 2 2 330.476 2.299 10 0 EEAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000869106436 1201941488 /nfs/dbraw/zinc/94/14/88/1201941488.db2.gz NQTDBQVXCCJHTD-WMZOPIPTSA-N 2 2 330.476 2.299 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+][C@H](C)c1c(F)cccc1F ZINC001274578968 1205085824 /nfs/dbraw/zinc/08/58/24/1205085824.db2.gz QPPYMSRYFHRIQE-ITDFMYJTSA-N 2 2 348.397 2.493 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ncc(C)o1 ZINC001274607964 1205095164 /nfs/dbraw/zinc/09/51/64/1205095164.db2.gz BSWQXNYLNCEKHQ-JTUDCUDASA-N 2 2 334.464 2.180 10 0 EEAELP CC1(C)[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925474730 1206116793 /nfs/dbraw/zinc/11/67/93/1206116793.db2.gz JWYMFVFHBBMXMU-HSALFYBXSA-N 3 2 343.515 2.385 10 0 EEAELP C[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000925546863 1206126070 /nfs/dbraw/zinc/12/60/70/1206126070.db2.gz QMXWHBFSHBAZLA-NEWSRXKRSA-N 2 2 328.504 2.057 10 0 EEAELP CC(C)COc1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000925963375 1206175457 /nfs/dbraw/zinc/17/54/57/1206175457.db2.gz YQKZDBSIXZOGHY-UHFFFAOYSA-N 2 2 334.464 2.266 10 0 EEAELP CC[C@@H](C)Oc1cccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000925981209 1206177898 /nfs/dbraw/zinc/17/78/98/1206177898.db2.gz VZDRMKXMSRHEBT-CQSZACIVSA-N 2 2 334.464 2.409 10 0 EEAELP CCCOc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1C ZINC000926181406 1206201797 /nfs/dbraw/zinc/20/17/97/1206201797.db2.gz BZZDZDJMVGTHOK-UHFFFAOYSA-N 2 2 334.464 2.328 10 0 EEAELP Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)c(N(C)C)[nH+]1 ZINC000930505857 1206563265 /nfs/dbraw/zinc/56/32/65/1206563265.db2.gz WRWBVQJDIJFPAH-HIFRSBDPSA-N 2 2 349.504 2.157 10 0 EEAELP Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)c(N(C)C)[nH+]1 ZINC000930505857 1206563267 /nfs/dbraw/zinc/56/32/67/1206563267.db2.gz WRWBVQJDIJFPAH-HIFRSBDPSA-N 2 2 349.504 2.157 10 0 EEAELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602677 1206569842 /nfs/dbraw/zinc/56/98/42/1206569842.db2.gz WUMHYEYQXBBHEC-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602677 1206569843 /nfs/dbraw/zinc/56/98/43/1206569843.db2.gz WUMHYEYQXBBHEC-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602677 1206569844 /nfs/dbraw/zinc/56/98/44/1206569844.db2.gz WUMHYEYQXBBHEC-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602677 1206569846 /nfs/dbraw/zinc/56/98/46/1206569846.db2.gz WUMHYEYQXBBHEC-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602679 1206569941 /nfs/dbraw/zinc/56/99/41/1206569941.db2.gz WUMHYEYQXBBHEC-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602679 1206569943 /nfs/dbraw/zinc/56/99/43/1206569943.db2.gz WUMHYEYQXBBHEC-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602679 1206569944 /nfs/dbraw/zinc/56/99/44/1206569944.db2.gz WUMHYEYQXBBHEC-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602679 1206569945 /nfs/dbraw/zinc/56/99/45/1206569945.db2.gz WUMHYEYQXBBHEC-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CC(=O)NC3CC3)cc2)C[C@H](C)O1 ZINC000930857171 1206587952 /nfs/dbraw/zinc/58/79/52/1206587952.db2.gz BKFWNXHVWSJEPI-IYBDPMFKSA-N 2 2 345.487 2.006 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)CC(=O)NC3CC3)cc2)C[C@H](C)O1 ZINC000930857171 1206587953 /nfs/dbraw/zinc/58/79/53/1206587953.db2.gz BKFWNXHVWSJEPI-IYBDPMFKSA-N 2 2 345.487 2.006 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)CC(=O)NC3CC3)cc2)C[C@H](C)O1 ZINC000930857171 1206587954 /nfs/dbraw/zinc/58/79/54/1206587954.db2.gz BKFWNXHVWSJEPI-IYBDPMFKSA-N 2 2 345.487 2.006 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)CC(=O)NC3CC3)cc2)C[C@H](C)O1 ZINC000930857171 1206587955 /nfs/dbraw/zinc/58/79/55/1206587955.db2.gz BKFWNXHVWSJEPI-IYBDPMFKSA-N 2 2 345.487 2.006 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+]([C@H]3CCCN(c4ccccc4)C3=O)C[C@]2(C)C1 ZINC000931311478 1206623743 /nfs/dbraw/zinc/62/37/43/1206623743.db2.gz QAZMGOOBOVFWRO-YSIASYRMSA-N 2 2 327.472 2.456 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+]([C@H]3CCCN(c4ccccc4)C3=O)C[C@]2(C)C1 ZINC000931311478 1206623744 /nfs/dbraw/zinc/62/37/44/1206623744.db2.gz QAZMGOOBOVFWRO-YSIASYRMSA-N 2 2 327.472 2.456 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+]([C@H]3CCCN(c4ccccc4)C3=O)C[C@]2(C)C1 ZINC000931311478 1206623745 /nfs/dbraw/zinc/62/37/45/1206623745.db2.gz QAZMGOOBOVFWRO-YSIASYRMSA-N 2 2 327.472 2.456 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+]([C@H]3CCCN(c4ccccc4)C3=O)C[C@]2(C)C1 ZINC000931311478 1206623746 /nfs/dbraw/zinc/62/37/46/1206623746.db2.gz QAZMGOOBOVFWRO-YSIASYRMSA-N 2 2 327.472 2.456 10 0 EEAELP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515431 1207403176 /nfs/dbraw/zinc/40/31/76/1207403176.db2.gz DYLWDAZLOJSDFA-CYBMUJFWSA-N 2 2 332.448 2.421 10 0 EEAELP CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515431 1207403179 /nfs/dbraw/zinc/40/31/79/1207403179.db2.gz DYLWDAZLOJSDFA-CYBMUJFWSA-N 2 2 332.448 2.421 10 0 EEAELP CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691736429 1210596593 /nfs/dbraw/zinc/59/65/93/1210596593.db2.gz SNJACSNUAFVCOY-VFQAQYNWSA-N 2 2 338.883 2.415 10 0 EEAELP CC(C)[N@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691736429 1210596597 /nfs/dbraw/zinc/59/65/97/1210596597.db2.gz SNJACSNUAFVCOY-VFQAQYNWSA-N 2 2 338.883 2.415 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900009752 1233970762 /nfs/dbraw/zinc/97/07/62/1233970762.db2.gz NGRAFPXMFRLZAS-GOSISDBHSA-N 2 2 341.459 2.209 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900009752 1233970767 /nfs/dbraw/zinc/97/07/67/1233970767.db2.gz NGRAFPXMFRLZAS-GOSISDBHSA-N 2 2 341.459 2.209 10 0 EEAELP C/C(=C/C(=O)NCCCC[N@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000900216248 1234097981 /nfs/dbraw/zinc/09/79/81/1234097981.db2.gz SUHHORUWRURHDP-RZPKCTKSSA-N 2 2 337.508 2.036 10 0 EEAELP C/C(=C/C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000900216248 1234097983 /nfs/dbraw/zinc/09/79/83/1234097983.db2.gz SUHHORUWRURHDP-RZPKCTKSSA-N 2 2 337.508 2.036 10 0 EEAELP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)s1 ZINC000903893706 1242364130 /nfs/dbraw/zinc/36/41/30/1242364130.db2.gz YUPZUDDAXFRNIG-OCCSQVGLSA-N 2 2 334.493 2.469 10 0 EEAELP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)s1 ZINC000903893706 1242364138 /nfs/dbraw/zinc/36/41/38/1242364138.db2.gz YUPZUDDAXFRNIG-OCCSQVGLSA-N 2 2 334.493 2.469 10 0 EEAELP COc1cc(Br)c(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1O ZINC000903964297 1242754890 /nfs/dbraw/zinc/75/48/90/1242754890.db2.gz IHGDAFVESKSRAC-KOLCDFICSA-N 2 2 329.238 2.108 10 0 EEAELP COCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001490984364 1258540852 /nfs/dbraw/zinc/54/08/52/1258540852.db2.gz SLRYGAYPBVHHRO-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP 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CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001491317824 1258946844 /nfs/dbraw/zinc/94/68/44/1258946844.db2.gz MRVMXYVEFHEIPA-OAEZHTQQSA-N 2 2 330.476 2.242 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001491317824 1258946845 /nfs/dbraw/zinc/94/68/45/1258946845.db2.gz MRVMXYVEFHEIPA-OAEZHTQQSA-N 2 2 330.476 2.242 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001491317824 1258946847 /nfs/dbraw/zinc/94/68/47/1258946847.db2.gz MRVMXYVEFHEIPA-OAEZHTQQSA-N 2 2 330.476 2.242 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CCOCC(C)C)ccn12 ZINC001491455005 1259097494 /nfs/dbraw/zinc/09/74/94/1259097494.db2.gz CKBFMDSVRCOGSA-AWEZNQCLSA-N 2 2 332.448 2.023 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)c2cccc3[nH+]ccn32)c(C)n1 ZINC001491525270 1259175093 /nfs/dbraw/zinc/17/50/93/1259175093.db2.gz MPSHEWMGAYYHKP-CQSZACIVSA-N 2 2 337.427 2.254 10 0 EEAELP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)Cc1cccc(F)c1F ZINC001490232094 1291047940 /nfs/dbraw/zinc/04/79/40/1291047940.db2.gz QUGJIIQBTMMMNN-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)Cc1cccc(F)c1F ZINC001490232094 1291047950 /nfs/dbraw/zinc/04/79/50/1291047950.db2.gz QUGJIIQBTMMMNN-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP CCCC[NH2+][C@@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001490724555 1291609094 /nfs/dbraw/zinc/60/90/94/1291609094.db2.gz SDNXNMTYAUFQIR-KRWDZBQOSA-N 2 2 328.460 2.470 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590980 1293574720 /nfs/dbraw/zinc/57/47/20/1293574720.db2.gz GCUVWQMHLAUJFJ-SUMWQHHRSA-N 2 2 345.447 2.439 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590980 1293574724 /nfs/dbraw/zinc/57/47/24/1293574724.db2.gz GCUVWQMHLAUJFJ-SUMWQHHRSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590980 1293574730 /nfs/dbraw/zinc/57/47/30/1293574730.db2.gz GCUVWQMHLAUJFJ-SUMWQHHRSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590980 1293574737 /nfs/dbraw/zinc/57/47/37/1293574737.db2.gz GCUVWQMHLAUJFJ-SUMWQHHRSA-N 2 2 345.447 2.439 10 0 EEAELP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)c2ccccc2)CC1 ZINC000857852609 1293931406 /nfs/dbraw/zinc/93/14/06/1293931406.db2.gz TXHKUGSSPUJASE-OALUTQOASA-N 2 2 339.487 2.365 10 0 EEAELP CCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001491132827 1299622859 /nfs/dbraw/zinc/62/28/59/1299622859.db2.gz GPXBQNLAUYBSKO-IBGZPJMESA-N 2 2 340.471 2.474 10 0 EEAELP CCc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001491132827 1299622863 /nfs/dbraw/zinc/62/28/63/1299622863.db2.gz GPXBQNLAUYBSKO-IBGZPJMESA-N 2 2 340.471 2.474 10 0 EEAELP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCCO1)c1c[nH+]c[nH]1 ZINC001277980085 1305533313 /nfs/dbraw/zinc/53/33/13/1305533313.db2.gz FAEATPDLWBJISE-JKSUJKDBSA-N 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Cc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001265004134 1322850793 /nfs/dbraw/zinc/85/07/93/1322850793.db2.gz JSUTUCTZDUYVQO-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001265004134 1322850796 /nfs/dbraw/zinc/85/07/96/1322850796.db2.gz JSUTUCTZDUYVQO-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CC(C)C ZINC001265114654 1322926940 /nfs/dbraw/zinc/92/69/40/1322926940.db2.gz JEIZYRGVVFWLTC-QGZVFWFLSA-N 2 2 335.496 2.274 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CC(C)C ZINC001265114654 1322926944 /nfs/dbraw/zinc/92/69/44/1322926944.db2.gz JEIZYRGVVFWLTC-QGZVFWFLSA-N 2 2 335.496 2.274 10 0 EEAELP CC[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)CC(C)C ZINC001265114654 1322926945 /nfs/dbraw/zinc/92/69/45/1322926945.db2.gz JEIZYRGVVFWLTC-QGZVFWFLSA-N 2 2 335.496 2.274 10 0 EEAELP CC[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)CC(C)C ZINC001265114654 1322926948 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EEAELP CCc1cnc(C[NH+](C)CCCNC(=O)[C@@H]2CCCC[N@@H+]2CC)o1 ZINC001265978336 1323537898 /nfs/dbraw/zinc/53/78/98/1323537898.db2.gz IXXGZWAPVCSSFN-INIZCTEOSA-N 2 2 336.480 2.050 10 0 EEAELP CCc1cnc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2CC)o1 ZINC001265978336 1323537904 /nfs/dbraw/zinc/53/79/04/1323537904.db2.gz IXXGZWAPVCSSFN-INIZCTEOSA-N 2 2 336.480 2.050 10 0 EEAELP CCc1cnc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2CC)o1 ZINC001265978336 1323537907 /nfs/dbraw/zinc/53/79/07/1323537907.db2.gz IXXGZWAPVCSSFN-INIZCTEOSA-N 2 2 336.480 2.050 10 0 EEAELP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266105808 1323671092 /nfs/dbraw/zinc/67/10/92/1323671092.db2.gz STRZMFNYPZAGIJ-OAHLLOKOSA-N 2 2 334.464 2.239 10 0 EEAELP CC(C)=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266105808 1323671099 /nfs/dbraw/zinc/67/10/99/1323671099.db2.gz STRZMFNYPZAGIJ-OAHLLOKOSA-N 2 2 334.464 2.239 10 0 EEAELP O=C(NCCC[N@@H+](C/C=C\Cl)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001266145374 1323715812 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ZINC001677403828 1357328365 /nfs/dbraw/zinc/32/83/65/1357328365.db2.gz TUSPLANTWPHEAD-UHFFFAOYSA-N 2 2 347.850 2.170 10 0 EEAELP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001677403828 1357328370 /nfs/dbraw/zinc/32/83/70/1357328370.db2.gz TUSPLANTWPHEAD-UHFFFAOYSA-N 2 2 347.850 2.170 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(F)ccc3N)CC2)CC1 ZINC001638294026 1352687013 /nfs/dbraw/zinc/68/70/13/1352687013.db2.gz HJAFFKRDOPMMPX-UHFFFAOYSA-N 2 2 348.466 2.040 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(F)ccc3N)CC2)CC1 ZINC001638294026 1352687014 /nfs/dbraw/zinc/68/70/14/1352687014.db2.gz HJAFFKRDOPMMPX-UHFFFAOYSA-N 2 2 348.466 2.040 10 0 EEAELP Cc1ccc2c(c1)S[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2 ZINC001647309731 1353225905 /nfs/dbraw/zinc/22/59/05/1353225905.db2.gz WGTCGZNZWUIEII-KRWDZBQOSA-N 2 2 335.517 2.012 10 0 EEAELP Cc1ccc2c(c1)S[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C2 ZINC001647309731 1353225909 /nfs/dbraw/zinc/22/59/09/1353225909.db2.gz WGTCGZNZWUIEII-KRWDZBQOSA-N 2 2 335.517 2.012 10 0 EEAELP C[C@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@@H+]1C1CCCC1 ZINC001649343227 1353488406 /nfs/dbraw/zinc/48/84/06/1353488406.db2.gz IBULOYJEFHQNBO-KBXCAEBGSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@H+]1C1CCCC1 ZINC001649343227 1353488410 /nfs/dbraw/zinc/48/84/10/1353488410.db2.gz IBULOYJEFHQNBO-KBXCAEBGSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC[NH+]1C1CCCC1 ZINC001649343227 1353488412 /nfs/dbraw/zinc/48/84/12/1353488412.db2.gz IBULOYJEFHQNBO-KBXCAEBGSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC[NH+]1C1CCCC1 ZINC001649343227 1353488414 /nfs/dbraw/zinc/48/84/14/1353488414.db2.gz IBULOYJEFHQNBO-KBXCAEBGSA-N 2 2 345.491 2.265 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1c1ccc(F)cc1 ZINC001649897118 1353641928 /nfs/dbraw/zinc/64/19/28/1353641928.db2.gz WYUJTEIDNOZHMB-JLSDUUJJSA-N 2 2 342.418 2.146 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H]1c1ccc(F)cc1 ZINC001649897118 1353641929 /nfs/dbraw/zinc/64/19/29/1353641929.db2.gz WYUJTEIDNOZHMB-JLSDUUJJSA-N 2 2 342.418 2.146 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001650606887 1354019393 /nfs/dbraw/zinc/01/93/93/1354019393.db2.gz YIUOWKLYLRAYQO-SLEUVZQESA-N 2 2 348.397 2.079 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001650606887 1354019395 /nfs/dbraw/zinc/01/93/95/1354019395.db2.gz YIUOWKLYLRAYQO-SLEUVZQESA-N 2 2 348.397 2.079 10 0 EEAELP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc([Si](C)(C)C)cc3)CC2)C1 ZINC001653724668 1354131624 /nfs/dbraw/zinc/13/16/24/1354131624.db2.gz LCELAOYVBYASLJ-IBGZPJMESA-N 2 2 345.607 2.444 10 0 EEAELP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc([Si](C)(C)C)cc3)CC2)C1 ZINC001653724668 1354131626 /nfs/dbraw/zinc/13/16/26/1354131626.db2.gz LCELAOYVBYASLJ-IBGZPJMESA-N 2 2 345.607 2.444 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001656077565 1354196356 /nfs/dbraw/zinc/19/63/56/1354196356.db2.gz JQTVWVIXQFWWCN-FPZRGXOSSA-N 2 2 330.476 2.335 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001656077565 1354196358 /nfs/dbraw/zinc/19/63/58/1354196358.db2.gz JQTVWVIXQFWWCN-FPZRGXOSSA-N 2 2 330.476 2.335 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H]1CC(C)(C)CO1 ZINC001660541521 1354484529 /nfs/dbraw/zinc/48/45/29/1354484529.db2.gz CGOFENKOBDPSLK-BZUAXINKSA-N 2 2 348.491 2.157 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H]1CC(C)(C)CO1 ZINC001660541521 1354484532 /nfs/dbraw/zinc/48/45/32/1354484532.db2.gz CGOFENKOBDPSLK-BZUAXINKSA-N 2 2 348.491 2.157 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H]1CC(C)(C)CO1 ZINC001660541521 1354484534 /nfs/dbraw/zinc/48/45/34/1354484534.db2.gz CGOFENKOBDPSLK-BZUAXINKSA-N 2 2 348.491 2.157 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H]1CC(C)(C)CO1 ZINC001660541521 1354484536 /nfs/dbraw/zinc/48/45/36/1354484536.db2.gz CGOFENKOBDPSLK-BZUAXINKSA-N 2 2 348.491 2.157 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@H+](CCCCCF)CC[C@@H]21 ZINC001661556480 1354658553 /nfs/dbraw/zinc/65/85/53/1354658553.db2.gz VDGWOUOCOLMANU-IRXDYDNUSA-N 2 2 336.455 2.336 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H]2C[N@@H+](CCCCCF)CC[C@@H]21 ZINC001661556480 1354658557 /nfs/dbraw/zinc/65/85/57/1354658557.db2.gz VDGWOUOCOLMANU-IRXDYDNUSA-N 2 2 336.455 2.336 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1=CCCCC1 ZINC001663396570 1354957078 /nfs/dbraw/zinc/95/70/78/1354957078.db2.gz MFMAODYMIFJUDE-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1=CCCCC1 ZINC001663396570 1354957080 /nfs/dbraw/zinc/95/70/80/1354957080.db2.gz MFMAODYMIFJUDE-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CCc1cccs1 ZINC001666573434 1355547039 /nfs/dbraw/zinc/54/70/39/1355547039.db2.gz MLCLRBZZXDZNPZ-LSDHHAIUSA-N 2 2 346.500 2.092 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@@H](C)C[NH2+]CC[C@@H](C)F)[nH+]c12 ZINC001666635517 1355556991 /nfs/dbraw/zinc/55/69/91/1355556991.db2.gz JOFMCGBUCRQKPL-DZGCQCFKSA-N 2 2 334.439 2.275 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1CC[NH2+]CCC[C@@H]1CCOC1 ZINC001667295989 1355701638 /nfs/dbraw/zinc/70/16/38/1355701638.db2.gz HRUNERYXZFDDLU-IAGOWNOFSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001668258437 1355910148 /nfs/dbraw/zinc/91/01/48/1355910148.db2.gz LKOZCVNMTYXMAZ-LLVKDONJSA-N 2 2 338.814 2.429 10 0 EEAELP C[C@@H](CC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)nc1)n1cc[nH+]c1 ZINC001669064377 1356081138 /nfs/dbraw/zinc/08/11/38/1356081138.db2.gz ULMCGKCTCPVXQN-SFAKSCPVSA-N 2 2 347.850 2.345 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1nccs1)c1ccccc1 ZINC001669209121 1356126998 /nfs/dbraw/zinc/12/69/98/1356126998.db2.gz YKIDYQDZIFFVTC-JTGQJZMRSA-N 2 2 344.484 2.208 10 0 EEAELP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001670313065 1356317306 /nfs/dbraw/zinc/31/73/06/1356317306.db2.gz REZJSBOGLAUAJV-UHFFFAOYSA-N 2 2 349.866 2.374 10 0 EEAELP COCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001671892963 1356433732 /nfs/dbraw/zinc/43/37/32/1356433732.db2.gz WFDIPLIANPNBGL-GPMSIDNRSA-N 2 2 348.491 2.158 10 0 EEAELP COCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001671892963 1356433733 /nfs/dbraw/zinc/43/37/33/1356433733.db2.gz WFDIPLIANPNBGL-GPMSIDNRSA-N 2 2 348.491 2.158 10 0 EEAELP COCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001671892963 1356433735 /nfs/dbraw/zinc/43/37/35/1356433735.db2.gz WFDIPLIANPNBGL-GPMSIDNRSA-N 2 2 348.491 2.158 10 0 EEAELP COCCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001671892963 1356433737 /nfs/dbraw/zinc/43/37/37/1356433737.db2.gz WFDIPLIANPNBGL-GPMSIDNRSA-N 2 2 348.491 2.158 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCOC1CCCCCC1 ZINC001673904691 1356757465 /nfs/dbraw/zinc/75/74/65/1356757465.db2.gz MYUGFNDCSBSVCL-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP COCCCCC[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001675327961 1356965801 /nfs/dbraw/zinc/96/58/01/1356965801.db2.gz ZAWHEXYMYKPPOG-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@H](C[NH2+]CC/C=C\c1ccccc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001698848127 1405106385 /nfs/dbraw/zinc/10/63/85/1405106385.db2.gz MJCLYYVHBJHGTA-CXSQMQJXSA-N 2 2 326.444 2.492 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001698968316 1405191487 /nfs/dbraw/zinc/19/14/87/1405191487.db2.gz LPPQTFFMINMRFM-INIZCTEOSA-N 2 2 341.415 2.404 10 0 EEAELP CCOC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705936432 784828654 /nfs/dbraw/zinc/82/86/54/784828654.db2.gz XMGWFSBKKRGFLK-AABGKKOBSA-N 2 2 332.488 2.228 10 0 EEAELP COc1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)ccc1OC(=O)C1CC1 ZINC000817866054 785032211 /nfs/dbraw/zinc/03/22/11/785032211.db2.gz UYXMPFRXLBUQKL-UHFFFAOYSA-N 2 2 330.428 2.339 10 0 EEAELP Cc1cc([C@H]([NH3+])CC(=O)N2CCC(n3cc[nH+]c3)CC2)cc(Cl)n1 ZINC000827996693 785274218 /nfs/dbraw/zinc/27/42/18/785274218.db2.gz QQROBINDXJBUFF-OAHLLOKOSA-N 2 2 347.850 2.494 10 0 EEAELP C[C@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[N@@H+]1CCc2ccccc2C1 ZINC000912378363 788132697 /nfs/dbraw/zinc/13/26/97/788132697.db2.gz IFLVCWPVYCLXAG-FOIQADDNSA-N 2 2 327.472 2.034 10 0 EEAELP C[C@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[N@H+]1CCc2ccccc2C1 ZINC000912378363 788132701 /nfs/dbraw/zinc/13/27/01/788132701.db2.gz IFLVCWPVYCLXAG-FOIQADDNSA-N 2 2 327.472 2.034 10 0 EEAELP Cc1cc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cc(C)[nH+]1 ZINC000922927819 788358026 /nfs/dbraw/zinc/35/80/26/788358026.db2.gz XQSNKQPHEBBDFM-CVEARBPZSA-N 2 2 334.489 2.077 10 0 EEAELP Cc1cc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cc(C)[nH+]1 ZINC000922927819 788358035 /nfs/dbraw/zinc/35/80/35/788358035.db2.gz XQSNKQPHEBBDFM-CVEARBPZSA-N 2 2 334.489 2.077 10 0 EEAELP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922951387 788428257 /nfs/dbraw/zinc/42/82/57/788428257.db2.gz NNOBUETYEUSRCP-YJBOKZPZSA-N 2 2 331.460 2.247 10 0 EEAELP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000922951387 788428268 /nfs/dbraw/zinc/42/82/68/788428268.db2.gz NNOBUETYEUSRCP-YJBOKZPZSA-N 2 2 331.460 2.247 10 0 EEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918614 788476865 /nfs/dbraw/zinc/47/68/65/788476865.db2.gz GNFDWUOHPLLFSH-ZWKOTPCHSA-N 2 2 345.512 2.083 10 0 EEAELP C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@@]2(C)C1 ZINC000913279220 788739771 /nfs/dbraw/zinc/73/97/71/788739771.db2.gz PWVBAOVTAUZDRW-BGYRXZFFSA-N 2 2 338.455 2.345 10 0 EEAELP C[N@H+]1C[C@@]2(C)CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C[C@@]2(C)C1 ZINC000913279220 788739779 /nfs/dbraw/zinc/73/97/79/788739779.db2.gz PWVBAOVTAUZDRW-BGYRXZFFSA-N 2 2 338.455 2.345 10 0 EEAELP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923396746 789492841 /nfs/dbraw/zinc/49/28/41/789492841.db2.gz HFHZPDYKAVYKQS-UHFFFAOYSA-N 3 2 331.508 2.198 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NCCn2c[nH+]cc2-c2ccccc2)cn1 ZINC000913711066 794164296 /nfs/dbraw/zinc/16/42/96/794164296.db2.gz JRAWRJYURYRVHK-UHFFFAOYSA-N 2 2 349.438 2.437 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000922650601 801582693 /nfs/dbraw/zinc/58/26/93/801582693.db2.gz QNWHVMCTWXUOPB-DOMZBBRYSA-N 2 2 347.850 2.418 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000922650601 801582701 /nfs/dbraw/zinc/58/27/01/801582701.db2.gz QNWHVMCTWXUOPB-DOMZBBRYSA-N 2 2 347.850 2.418 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001566070690 1125542667 /nfs/dbraw/zinc/54/26/67/1125542667.db2.gz IADJYSICKSNKHN-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001566070690 1125542677 /nfs/dbraw/zinc/54/26/77/1125542677.db2.gz IADJYSICKSNKHN-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP C[N@H+](CCCNC(=O)CCc1c[nH]c[nH+]1)Cc1ccc(F)c(F)c1 ZINC001566460373 1125620594 /nfs/dbraw/zinc/62/05/94/1125620594.db2.gz MHIMHOSIAHDRPN-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP C[N@@H+](CCCNC(=O)CCc1c[nH]c[nH+]1)Cc1ccc(F)c(F)c1 ZINC001566460373 1125620597 /nfs/dbraw/zinc/62/05/97/1125620597.db2.gz MHIMHOSIAHDRPN-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP C[N@H+](CCCNC(=O)CCc1c[nH+]c[nH]1)Cc1ccc(F)c(F)c1 ZINC001566460373 1125620601 /nfs/dbraw/zinc/62/06/01/1125620601.db2.gz MHIMHOSIAHDRPN-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP C[N@@H+](CCCNC(=O)CCc1c[nH+]c[nH]1)Cc1ccc(F)c(F)c1 ZINC001566460373 1125620604 /nfs/dbraw/zinc/62/06/04/1125620604.db2.gz MHIMHOSIAHDRPN-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP C[NH+](CC(=O)NCCC[N@H+](C)Cc1nccs1)CC(C)(C)C ZINC001566491143 1125655859 /nfs/dbraw/zinc/65/58/59/1125655859.db2.gz OAPQLRKGWFNCDC-UHFFFAOYSA-N 2 2 326.510 2.059 10 0 EEAELP C[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)Cc1nccs1 ZINC001566491143 1125655863 /nfs/dbraw/zinc/65/58/63/1125655863.db2.gz OAPQLRKGWFNCDC-UHFFFAOYSA-N 2 2 326.510 2.059 10 0 EEAELP C[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)Cc1nccs1 ZINC001566491143 1125655866 /nfs/dbraw/zinc/65/58/66/1125655866.db2.gz OAPQLRKGWFNCDC-UHFFFAOYSA-N 2 2 326.510 2.059 10 0 EEAELP Cc1ncc(C[NH+]2CCC(N(C)C(=O)C[C@H](C)n3cc[nH+]c3)CC2)o1 ZINC001436665114 1088098170 /nfs/dbraw/zinc/09/81/70/1088098170.db2.gz CYGGLVDELILBCK-AWEZNQCLSA-N 2 2 345.447 2.254 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001436959931 1088650032 /nfs/dbraw/zinc/65/00/32/1088650032.db2.gz OPHRYEPEFMSFPO-IYBDPMFKSA-N 2 2 330.407 2.158 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001437021095 1088812458 /nfs/dbraw/zinc/81/24/58/1088812458.db2.gz WEORZFLCDJKYFS-HNNXBMFYSA-N 2 2 345.447 2.023 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001437021095 1088812471 /nfs/dbraw/zinc/81/24/71/1088812471.db2.gz WEORZFLCDJKYFS-HNNXBMFYSA-N 2 2 345.447 2.023 10 0 EEAELP COCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001437038873 1088893421 /nfs/dbraw/zinc/89/34/21/1088893421.db2.gz TXOUWJAFMQSILK-IRXDYDNUSA-N 2 2 336.480 2.087 10 0 EEAELP COCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001437038873 1088893443 /nfs/dbraw/zinc/89/34/43/1088893443.db2.gz TXOUWJAFMQSILK-IRXDYDNUSA-N 2 2 336.480 2.087 10 0 EEAELP CC[C@@H]([NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC001437273111 1089425432 /nfs/dbraw/zinc/42/54/32/1089425432.db2.gz QMUHHOCGCFGEDC-MLGOLLRUSA-N 2 2 336.386 2.407 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001437676379 1090208665 /nfs/dbraw/zinc/20/86/65/1090208665.db2.gz TVQFFGAZWDPGQY-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001437676379 1090208669 /nfs/dbraw/zinc/20/86/69/1090208669.db2.gz TVQFFGAZWDPGQY-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](Cc1ccns1)C1CC1 ZINC001437796127 1090382096 /nfs/dbraw/zinc/38/20/96/1090382096.db2.gz YVRHCCVMJQGZEY-CQSZACIVSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](Cc1ccns1)C1CC1 ZINC001437796127 1090382102 /nfs/dbraw/zinc/38/21/02/1090382102.db2.gz YVRHCCVMJQGZEY-CQSZACIVSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NCC[N@H+](Cc1ccns1)C1CC1 ZINC001437796127 1090382107 /nfs/dbraw/zinc/38/21/07/1090382107.db2.gz YVRHCCVMJQGZEY-CQSZACIVSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NCC[N@@H+](Cc1ccns1)C1CC1 ZINC001437796127 1090382112 /nfs/dbraw/zinc/38/21/12/1090382112.db2.gz YVRHCCVMJQGZEY-CQSZACIVSA-N 2 2 336.505 2.098 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001437891696 1090471026 /nfs/dbraw/zinc/47/10/26/1090471026.db2.gz LPBWXDDAIUXBAS-IAGOWNOFSA-N 2 2 332.492 2.414 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001437891696 1090471030 /nfs/dbraw/zinc/47/10/30/1090471030.db2.gz LPBWXDDAIUXBAS-IAGOWNOFSA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@@H](C(=O)NC1C[NH+](CC/C=C/c2cccc(OC)c2)C1)[NH+](C)C ZINC001438090546 1090637726 /nfs/dbraw/zinc/63/77/26/1090637726.db2.gz XERSGQNPKFWJIT-AIADIJKESA-N 2 2 345.487 2.239 10 0 EEAELP C[C@@](C[NH2+]Cc1ccccc1F)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001438430148 1090928517 /nfs/dbraw/zinc/92/85/17/1090928517.db2.gz YYRFSFTXJJVTDL-SFHVURJKSA-N 2 2 330.407 2.097 10 0 EEAELP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)Cc1c[nH+]cn1C ZINC001438931765 1091612491 /nfs/dbraw/zinc/61/24/91/1091612491.db2.gz JZMWZVBOKUARIQ-GOSISDBHSA-N 2 2 326.444 2.040 10 0 EEAELP CN(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C(=O)Cc1c[nH+]cn1C ZINC001438931765 1091612493 /nfs/dbraw/zinc/61/24/93/1091612493.db2.gz JZMWZVBOKUARIQ-GOSISDBHSA-N 2 2 326.444 2.040 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC001438959291 1091651680 /nfs/dbraw/zinc/65/16/80/1091651680.db2.gz XEYQWLMZFASOLF-CJNGLKHVSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC001438959291 1091651684 /nfs/dbraw/zinc/65/16/84/1091651684.db2.gz XEYQWLMZFASOLF-CJNGLKHVSA-N 2 2 347.488 2.182 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001439130727 1091775776 /nfs/dbraw/zinc/77/57/76/1091775776.db2.gz QJOFCDOFRYFNLQ-CHWSQXEVSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)c(C)o1 ZINC001439182250 1091829641 /nfs/dbraw/zinc/82/96/41/1091829641.db2.gz PHHOGXKBKQWUNQ-ACJLOTCBSA-N 2 2 344.459 2.189 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001439386226 1092132623 /nfs/dbraw/zinc/13/26/23/1092132623.db2.gz ZPWHNSCKYRTBGD-KBPBESRZSA-N 2 2 330.432 2.159 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001439386226 1092132627 /nfs/dbraw/zinc/13/26/27/1092132627.db2.gz ZPWHNSCKYRTBGD-KBPBESRZSA-N 2 2 330.432 2.159 10 0 EEAELP Cc1nocc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001439410149 1092176611 /nfs/dbraw/zinc/17/66/11/1092176611.db2.gz QPBQAFODWDPBTN-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1nocc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001439410149 1092176613 /nfs/dbraw/zinc/17/66/13/1092176613.db2.gz QPBQAFODWDPBTN-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001439418843 1092187495 /nfs/dbraw/zinc/18/74/95/1092187495.db2.gz MLVPALYRUVWEDA-AADQSZMKSA-N 2 2 345.274 2.467 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1ccc(F)cc1 ZINC001439540091 1092404479 /nfs/dbraw/zinc/40/44/79/1092404479.db2.gz RUEQXKXGIHKNRG-YOEHRIQHSA-N 2 2 330.407 2.282 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccc(F)cc1 ZINC001439540091 1092404487 /nfs/dbraw/zinc/40/44/87/1092404487.db2.gz RUEQXKXGIHKNRG-YOEHRIQHSA-N 2 2 330.407 2.282 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CC1 ZINC001439622166 1092532014 /nfs/dbraw/zinc/53/20/14/1092532014.db2.gz NLMMVGKHUBOSOY-UHFFFAOYSA-N 2 2 331.460 2.307 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001439751608 1092708908 /nfs/dbraw/zinc/70/89/08/1092708908.db2.gz QBUBFYATSDUMLQ-UHFFFAOYSA-N 2 2 328.460 2.152 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001439751608 1092708917 /nfs/dbraw/zinc/70/89/17/1092708917.db2.gz QBUBFYATSDUMLQ-UHFFFAOYSA-N 2 2 328.460 2.152 10 0 EEAELP CC(C)[NH+]1CCC2(CO[C@@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001439811820 1092779394 /nfs/dbraw/zinc/77/93/94/1092779394.db2.gz QNQFDWLGKYXLQX-IAGOWNOFSA-N 2 2 348.491 2.230 10 0 EEAELP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001439975772 1093093503 /nfs/dbraw/zinc/09/35/03/1093093503.db2.gz RXAXXYNCHXPMSV-QWHCGFSZSA-N 2 2 328.407 2.072 10 0 EEAELP CC[C@H](C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001439975772 1093093511 /nfs/dbraw/zinc/09/35/11/1093093511.db2.gz RXAXXYNCHXPMSV-QWHCGFSZSA-N 2 2 328.407 2.072 10 0 EEAELP CC[C@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001439975774 1093094716 /nfs/dbraw/zinc/09/47/16/1093094716.db2.gz RXAXXYNCHXPMSV-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP CC[C@H](C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001439975774 1093094722 /nfs/dbraw/zinc/09/47/22/1093094722.db2.gz RXAXXYNCHXPMSV-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1)n1cc[nH+]c1 ZINC001440398968 1093581275 /nfs/dbraw/zinc/58/12/75/1093581275.db2.gz HDWPBIHSTRHDQN-IXDOHACOSA-N 2 2 341.459 2.304 10 0 EEAELP Cc1nc(CC[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cs1 ZINC001440664395 1093932425 /nfs/dbraw/zinc/93/24/25/1093932425.db2.gz YLRWSGWHLXYPSU-NILFDRSVSA-N 2 2 347.488 2.005 10 0 EEAELP Cc1nc(CC[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cs1 ZINC001440664395 1093932428 /nfs/dbraw/zinc/93/24/28/1093932428.db2.gz YLRWSGWHLXYPSU-NILFDRSVSA-N 2 2 347.488 2.005 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC001449063520 1094078528 /nfs/dbraw/zinc/07/85/28/1094078528.db2.gz VVLBFXKLVLEFCF-KGLIPLIRSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)s1 ZINC001449063520 1094078533 /nfs/dbraw/zinc/07/85/33/1094078533.db2.gz VVLBFXKLVLEFCF-KGLIPLIRSA-N 2 2 347.488 2.182 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001440829633 1094082569 /nfs/dbraw/zinc/08/25/69/1094082569.db2.gz RZFWQSXSWAPANE-HOTGVXAUSA-N 2 2 343.475 2.022 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC001440940732 1094192627 /nfs/dbraw/zinc/19/26/27/1094192627.db2.gz IBZWZMVJJMJBBU-XJKSGUPXSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC001440940732 1094192629 /nfs/dbraw/zinc/19/26/29/1094192629.db2.gz IBZWZMVJJMJBBU-XJKSGUPXSA-N 2 2 346.500 2.452 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC001440971946 1094229475 /nfs/dbraw/zinc/22/94/75/1094229475.db2.gz HKGTXYYIMNGRHS-AWEZNQCLSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC001440971946 1094229480 /nfs/dbraw/zinc/22/94/80/1094229480.db2.gz HKGTXYYIMNGRHS-AWEZNQCLSA-N 2 2 326.444 2.466 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001449371924 1094339799 /nfs/dbraw/zinc/33/97/99/1094339799.db2.gz NHRFHKBCWWLSOA-AWEZNQCLSA-N 2 2 341.459 2.073 10 0 EEAELP Cc1csc(C[NH2+][C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)n1 ZINC001441234175 1094617069 /nfs/dbraw/zinc/61/70/69/1094617069.db2.gz MSZAJJOARMNXRT-ZFWWWQNUSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1csc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)n1 ZINC001441276198 1094693408 /nfs/dbraw/zinc/69/34/08/1094693408.db2.gz PMKYOORDRMTWBQ-CQSZACIVSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C2)n1 ZINC001441276198 1094693409 /nfs/dbraw/zinc/69/34/09/1094693409.db2.gz PMKYOORDRMTWBQ-CQSZACIVSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)n1 ZINC001441276198 1094693415 /nfs/dbraw/zinc/69/34/15/1094693415.db2.gz PMKYOORDRMTWBQ-CQSZACIVSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)n1 ZINC001441276198 1094693417 /nfs/dbraw/zinc/69/34/17/1094693417.db2.gz PMKYOORDRMTWBQ-CQSZACIVSA-N 2 2 338.521 2.118 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441313887 1094769512 /nfs/dbraw/zinc/76/95/12/1094769512.db2.gz RPXLJGBIOWOPEX-AXUOBQJMSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441313887 1094769526 /nfs/dbraw/zinc/76/95/26/1094769526.db2.gz RPXLJGBIOWOPEX-AXUOBQJMSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001441313887 1094769535 /nfs/dbraw/zinc/76/95/35/1094769535.db2.gz RPXLJGBIOWOPEX-AXUOBQJMSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001441313887 1094769543 /nfs/dbraw/zinc/76/95/43/1094769543.db2.gz RPXLJGBIOWOPEX-AXUOBQJMSA-N 2 2 338.455 2.398 10 0 EEAELP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441438025 1095051135 /nfs/dbraw/zinc/05/11/35/1095051135.db2.gz KGFLRKYMTRMCLS-WMZOPIPTSA-N 2 2 330.476 2.072 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccn1)n1cc[nH+]c1 ZINC001441849193 1095932599 /nfs/dbraw/zinc/93/25/99/1095932599.db2.gz ZYFHRANASFXAOM-DOTOQJQBSA-N 2 2 329.448 2.160 10 0 EEAELP O=C(NCC[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001443241873 1097711257 /nfs/dbraw/zinc/71/12/57/1097711257.db2.gz VSKVGWVFOSTKAA-ROUUACIJSA-N 2 2 344.503 2.464 10 0 EEAELP O=C(NCC[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001443241873 1097711261 /nfs/dbraw/zinc/71/12/61/1097711261.db2.gz VSKVGWVFOSTKAA-ROUUACIJSA-N 2 2 344.503 2.464 10 0 EEAELP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001443626063 1098122078 /nfs/dbraw/zinc/12/20/78/1098122078.db2.gz ARMCAHXBQJLSMN-ROUUACIJSA-N 2 2 335.467 2.476 10 0 EEAELP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001443626063 1098122080 /nfs/dbraw/zinc/12/20/80/1098122080.db2.gz ARMCAHXBQJLSMN-ROUUACIJSA-N 2 2 335.467 2.476 10 0 EEAELP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCF)CC[C@@H]1c1ccccc1)C1CCC1 ZINC001479617466 1098642567 /nfs/dbraw/zinc/64/25/67/1098642567.db2.gz NJODWGGJHUMRQQ-RTBURBONSA-N 2 2 347.478 2.415 10 0 EEAELP C[N@@H+](CC(=O)N[C@@H]1C[NH+](CCF)CC[C@@H]1c1ccccc1)C1CCC1 ZINC001479617466 1098642570 /nfs/dbraw/zinc/64/25/70/1098642570.db2.gz NJODWGGJHUMRQQ-RTBURBONSA-N 2 2 347.478 2.415 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1c1ccccc1)C1CCC1 ZINC001479617466 1098642573 /nfs/dbraw/zinc/64/25/73/1098642573.db2.gz NJODWGGJHUMRQQ-RTBURBONSA-N 2 2 347.478 2.415 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1c1ccccc1)C1CCC1 ZINC001479617466 1098642576 /nfs/dbraw/zinc/64/25/76/1098642576.db2.gz NJODWGGJHUMRQQ-RTBURBONSA-N 2 2 347.478 2.415 10 0 EEAELP C[C@@](C[NH2+]CC1CCC1)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001444136142 1098675193 /nfs/dbraw/zinc/67/51/93/1098675193.db2.gz TZOTWGMWPQFUPU-BEFAXECRSA-N 2 2 330.476 2.120 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001479692159 1098756263 /nfs/dbraw/zinc/75/62/63/1098756263.db2.gz JKBUYKLXNTUZNZ-LBPRGKRZSA-N 2 2 332.370 2.265 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC001480063485 1099592064 /nfs/dbraw/zinc/59/20/64/1099592064.db2.gz QBRWCCVAYIBIEI-IEBWSBKVSA-N 2 2 338.455 2.433 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001480063844 1099593517 /nfs/dbraw/zinc/59/35/17/1099593517.db2.gz SYVZZLRANMPGOP-KRWDZBQOSA-N 2 2 330.476 2.325 10 0 EEAELP Cc1ccncc1C[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001444908444 1099978431 /nfs/dbraw/zinc/97/84/31/1099978431.db2.gz DULZVRNJHUJJNY-MAUKXSAKSA-N 2 2 343.475 2.222 10 0 EEAELP Cc1ccncc1C[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001444908444 1099978437 /nfs/dbraw/zinc/97/84/37/1099978437.db2.gz DULZVRNJHUJJNY-MAUKXSAKSA-N 2 2 343.475 2.222 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001444918192 1100002087 /nfs/dbraw/zinc/00/20/87/1100002087.db2.gz GVIGRVRDZPYURX-QWHCGFSZSA-N 2 2 328.407 2.118 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC001480391638 1100196561 /nfs/dbraw/zinc/19/65/61/1100196561.db2.gz DMZRYERMSHKCBS-BEXRRVNWSA-N 2 2 336.867 2.196 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21 ZINC001480391638 1100196563 /nfs/dbraw/zinc/19/65/63/1100196563.db2.gz DMZRYERMSHKCBS-BEXRRVNWSA-N 2 2 336.867 2.196 10 0 EEAELP Cc1cc(C[NH2+]C2CCC(NC(=O)CCn3cc[nH+]c3)CC2)sn1 ZINC001480405955 1100220684 /nfs/dbraw/zinc/22/06/84/1100220684.db2.gz OFCRVTFKYYEZCD-UHFFFAOYSA-N 2 2 347.488 2.255 10 0 EEAELP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001445359917 1100596660 /nfs/dbraw/zinc/59/66/60/1100596660.db2.gz CCWVUWKRFBWFPQ-DYVFJYSZSA-N 2 2 347.507 2.321 10 0 EEAELP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001445359917 1100596664 /nfs/dbraw/zinc/59/66/64/1100596664.db2.gz CCWVUWKRFBWFPQ-DYVFJYSZSA-N 2 2 347.507 2.321 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)Cc2ccccc2)co1 ZINC001496243384 1100812671 /nfs/dbraw/zinc/81/26/71/1100812671.db2.gz KXDSNUMSLOZTMO-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)Cc2ccccc2)co1 ZINC001496243384 1100812677 /nfs/dbraw/zinc/81/26/77/1100812677.db2.gz KXDSNUMSLOZTMO-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP CC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CCCCC1 ZINC001496312229 1100903621 /nfs/dbraw/zinc/90/36/21/1100903621.db2.gz AYKDUUDPVJYGII-MSOLQXFVSA-N 2 2 347.507 2.465 10 0 EEAELP CC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CCCCC1 ZINC001496312229 1100903627 /nfs/dbraw/zinc/90/36/27/1100903627.db2.gz AYKDUUDPVJYGII-MSOLQXFVSA-N 2 2 347.507 2.465 10 0 EEAELP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496407567 1101000997 /nfs/dbraw/zinc/00/09/97/1101000997.db2.gz WOMSDPHQIGPSIY-DLBZAZTESA-N 2 2 332.492 2.462 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001496754509 1101409933 /nfs/dbraw/zinc/40/99/33/1101409933.db2.gz POAPZQXZWXVUMI-MRXNPFEDSA-N 2 2 344.459 2.433 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)CCN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001496754509 1101409935 /nfs/dbraw/zinc/40/99/35/1101409935.db2.gz POAPZQXZWXVUMI-MRXNPFEDSA-N 2 2 344.459 2.433 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1ccc(F)cc1 ZINC001495681605 1101426615 /nfs/dbraw/zinc/42/66/15/1101426615.db2.gz HRWKBCIOFPXXKP-DAXOMENPSA-N 2 2 330.407 2.194 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]Cc1ccc(F)cc1 ZINC001495681605 1101426618 /nfs/dbraw/zinc/42/66/18/1101426618.db2.gz HRWKBCIOFPXXKP-DAXOMENPSA-N 2 2 330.407 2.194 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@@H](C)CNC(=O)CCc2[nH+]ccn2C)c1 ZINC001495707267 1101465736 /nfs/dbraw/zinc/46/57/36/1101465736.db2.gz MWMWXNTZVJUBAX-OAHLLOKOSA-N 2 2 346.450 2.342 10 0 EEAELP C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001446946752 1101638002 /nfs/dbraw/zinc/63/80/02/1101638002.db2.gz QBCOLRAPLULDFW-KGKZPBIOSA-N 2 2 331.247 2.029 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1ncc(CC)o1 ZINC001447048801 1101862147 /nfs/dbraw/zinc/86/21/47/1101862147.db2.gz WJRBUWZOKFSCJH-DLBZAZTESA-N 2 2 348.491 2.144 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1ncc(CC)o1 ZINC001447048801 1101862155 /nfs/dbraw/zinc/86/21/55/1101862155.db2.gz WJRBUWZOKFSCJH-DLBZAZTESA-N 2 2 348.491 2.144 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ncc(CC)o1 ZINC001447048801 1101862167 /nfs/dbraw/zinc/86/21/67/1101862167.db2.gz WJRBUWZOKFSCJH-DLBZAZTESA-N 2 2 348.491 2.144 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001447048801 1101862178 /nfs/dbraw/zinc/86/21/78/1101862178.db2.gz WJRBUWZOKFSCJH-DLBZAZTESA-N 2 2 348.491 2.144 10 0 EEAELP C[C@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)Cc1c[nH+]cn1C ZINC001497305024 1102287788 /nfs/dbraw/zinc/28/77/88/1102287788.db2.gz SUKXPCBHUREQFC-RDTXWAMCSA-N 2 2 326.444 2.135 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+][C@@H](C)c2ncc(C)o2)c[nH+]1 ZINC001447649052 1103051117 /nfs/dbraw/zinc/05/11/17/1103051117.db2.gz LINQLVAQQTTXSC-WFASDCNBSA-N 2 2 347.463 2.469 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001493952116 1103181388 /nfs/dbraw/zinc/18/13/88/1103181388.db2.gz QBSHZSNSEUKNJC-KBAYOESNSA-N 2 2 348.491 2.136 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001493952116 1103181393 /nfs/dbraw/zinc/18/13/93/1103181393.db2.gz QBSHZSNSEUKNJC-KBAYOESNSA-N 2 2 348.491 2.136 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001493952116 1103181398 /nfs/dbraw/zinc/18/13/98/1103181398.db2.gz QBSHZSNSEUKNJC-KBAYOESNSA-N 2 2 348.491 2.136 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001493952116 1103181401 /nfs/dbraw/zinc/18/14/01/1103181401.db2.gz QBSHZSNSEUKNJC-KBAYOESNSA-N 2 2 348.491 2.136 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001447891229 1103530178 /nfs/dbraw/zinc/53/01/78/1103530178.db2.gz RWYUZDKSFKSFAA-LSDHHAIUSA-N 2 2 346.450 2.483 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1sccc1Cl ZINC001447915763 1103586958 /nfs/dbraw/zinc/58/69/58/1103586958.db2.gz WITYZDCSGBPPKL-UWVGGRQHSA-N 2 2 326.853 2.350 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001494638783 1104224356 /nfs/dbraw/zinc/22/43/56/1104224356.db2.gz PPZKDGGTIBQONK-CYBMUJFWSA-N 2 2 332.835 2.346 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](Cc2ccns2)C1 ZINC001494738140 1104320349 /nfs/dbraw/zinc/32/03/49/1104320349.db2.gz JUPLCLBIUYXWLF-HNNXBMFYSA-N 2 2 336.505 2.100 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001494738140 1104320358 /nfs/dbraw/zinc/32/03/58/1104320358.db2.gz JUPLCLBIUYXWLF-HNNXBMFYSA-N 2 2 336.505 2.100 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001494852123 1104455515 /nfs/dbraw/zinc/45/55/15/1104455515.db2.gz JSIDKBZQNFQCAO-SWLSCSKDSA-N 2 2 340.418 2.166 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001494852123 1104455523 /nfs/dbraw/zinc/45/55/23/1104455523.db2.gz JSIDKBZQNFQCAO-SWLSCSKDSA-N 2 2 340.418 2.166 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001494852123 1104455525 /nfs/dbraw/zinc/45/55/25/1104455525.db2.gz JSIDKBZQNFQCAO-SWLSCSKDSA-N 2 2 340.418 2.166 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001494852123 1104455529 /nfs/dbraw/zinc/45/55/29/1104455529.db2.gz JSIDKBZQNFQCAO-SWLSCSKDSA-N 2 2 340.418 2.166 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1c(C)nsc1C ZINC001495001785 1104643501 /nfs/dbraw/zinc/64/35/01/1104643501.db2.gz WWYVEEJTLFVDOV-MGPQQGTHSA-N 2 2 347.488 2.271 10 0 EEAELP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001480599446 1106742052 /nfs/dbraw/zinc/74/20/52/1106742052.db2.gz HWCNRJMGQJGDAQ-KSSFIOAISA-N 2 2 344.459 2.134 10 0 EEAELP CC[C@@H](F)C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001480617983 1106776515 /nfs/dbraw/zinc/77/65/15/1106776515.db2.gz LEWNUPMJKWZTHD-CVEARBPZSA-N 2 2 330.407 2.425 10 0 EEAELP C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001498324905 1107296565 /nfs/dbraw/zinc/29/65/65/1107296565.db2.gz MUCYVMDRSKUZQN-SJLPKXTDSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001498324905 1107296572 /nfs/dbraw/zinc/29/65/72/1107296572.db2.gz MUCYVMDRSKUZQN-SJLPKXTDSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493242265 1107757678 /nfs/dbraw/zinc/75/76/78/1107757678.db2.gz ZJKVKLPORZITAO-CQSZACIVSA-N 2 2 345.447 2.010 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493242265 1107757691 /nfs/dbraw/zinc/75/76/91/1107757691.db2.gz ZJKVKLPORZITAO-CQSZACIVSA-N 2 2 345.447 2.010 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2c1cccc2F)C(=O)Cc1c[nH+]cn1C ZINC001498641794 1107874183 /nfs/dbraw/zinc/87/41/83/1107874183.db2.gz PTPBRAGWXZSFOM-GOSISDBHSA-N 2 2 344.434 2.227 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC001498845210 1108209373 /nfs/dbraw/zinc/20/93/73/1108209373.db2.gz INRFWKZDFOTZAD-NWDGAFQWSA-N 2 2 345.274 2.021 10 0 EEAELP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]CCOC ZINC001498891135 1108285497 /nfs/dbraw/zinc/28/54/97/1108285497.db2.gz ZIKIOYXEUJKMBE-UKRRQHHQSA-N 2 2 330.432 2.040 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001493726305 1108575193 /nfs/dbraw/zinc/57/51/93/1108575193.db2.gz SWAOCODTBFPNAH-UONOGXRCSA-N 2 2 342.434 2.462 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001493726305 1108575204 /nfs/dbraw/zinc/57/52/04/1108575204.db2.gz SWAOCODTBFPNAH-UONOGXRCSA-N 2 2 342.434 2.462 10 0 EEAELP CC[C@@H](F)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001501582506 1113390916 /nfs/dbraw/zinc/39/09/16/1113390916.db2.gz VPSKTQYFFWRGJZ-GOEBONIOSA-N 2 2 337.439 2.209 10 0 EEAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)CC1CC(F)(F)C1 ZINC001506009735 1114341679 /nfs/dbraw/zinc/34/16/79/1114341679.db2.gz HQZQBJCXBYIXEA-QWHCGFSZSA-N 2 2 328.407 2.316 10 0 EEAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)CC1CC(F)(F)C1 ZINC001506009735 1114341684 /nfs/dbraw/zinc/34/16/84/1114341684.db2.gz HQZQBJCXBYIXEA-QWHCGFSZSA-N 2 2 328.407 2.316 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC001506069465 1114393290 /nfs/dbraw/zinc/39/32/90/1114393290.db2.gz OOETUOOEXMKFJT-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC001506069465 1114393291 /nfs/dbraw/zinc/39/32/91/1114393291.db2.gz OOETUOOEXMKFJT-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP Cc1nc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)cs1 ZINC001506753485 1114867249 /nfs/dbraw/zinc/86/72/49/1114867249.db2.gz PPFHIEDIAALXIM-HNNXBMFYSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1nc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C2)cs1 ZINC001506753485 1114867251 /nfs/dbraw/zinc/86/72/51/1114867251.db2.gz PPFHIEDIAALXIM-HNNXBMFYSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1nc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)cs1 ZINC001506753485 1114867253 /nfs/dbraw/zinc/86/72/53/1114867253.db2.gz PPFHIEDIAALXIM-HNNXBMFYSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)cs1 ZINC001506753485 1114867255 /nfs/dbraw/zinc/86/72/55/1114867255.db2.gz PPFHIEDIAALXIM-HNNXBMFYSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001506884846 1114949843 /nfs/dbraw/zinc/94/98/43/1114949843.db2.gz FQFXKXKOYDWKAK-PPUGGXLSSA-N 2 2 344.434 2.474 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001506884846 1114949846 /nfs/dbraw/zinc/94/98/46/1114949846.db2.gz FQFXKXKOYDWKAK-PPUGGXLSSA-N 2 2 344.434 2.474 10 0 EEAELP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001506959554 1115006840 /nfs/dbraw/zinc/00/68/40/1115006840.db2.gz GMGMMVBABRBNNR-GJZGRUSLSA-N 2 2 336.455 2.116 10 0 EEAELP CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001506959554 1115006844 /nfs/dbraw/zinc/00/68/44/1115006844.db2.gz GMGMMVBABRBNNR-GJZGRUSLSA-N 2 2 336.455 2.116 10 0 EEAELP CC(C)=CC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001507355940 1115219021 /nfs/dbraw/zinc/21/90/21/1115219021.db2.gz MOACFNBUQXETAG-QFBILLFUSA-N 2 2 330.476 2.432 10 0 EEAELP CC(C)=CC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001507355940 1115219022 /nfs/dbraw/zinc/21/90/22/1115219022.db2.gz MOACFNBUQXETAG-QFBILLFUSA-N 2 2 330.476 2.432 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001507417705 1115258930 /nfs/dbraw/zinc/25/89/30/1115258930.db2.gz YAAYGSLYBSUVFF-DLBZAZTESA-N 2 2 332.492 2.417 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@H+](C)Cc1cncs1)C(C)C ZINC001507820124 1115352375 /nfs/dbraw/zinc/35/23/75/1115352375.db2.gz WETGJDYKJPNBPO-UHFFFAOYSA-N 2 2 335.477 2.017 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@@H+](C)Cc1cncs1)C(C)C ZINC001507820124 1115352377 /nfs/dbraw/zinc/35/23/77/1115352377.db2.gz WETGJDYKJPNBPO-UHFFFAOYSA-N 2 2 335.477 2.017 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCc2cccs2)CC1 ZINC001508089878 1115417472 /nfs/dbraw/zinc/41/74/72/1115417472.db2.gz WYMCNZYEJWOWJE-AWEZNQCLSA-N 2 2 346.500 2.473 10 0 EEAELP CC[C@@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001540488968 1124084275 /nfs/dbraw/zinc/08/42/75/1124084275.db2.gz JUGUCJWLJYWYDB-KURKYZTESA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC001540488968 1124084279 /nfs/dbraw/zinc/08/42/79/1124084279.db2.gz JUGUCJWLJYWYDB-KURKYZTESA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC001540488968 1124084282 /nfs/dbraw/zinc/08/42/82/1124084282.db2.gz JUGUCJWLJYWYDB-KURKYZTESA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC001540488968 1124084286 /nfs/dbraw/zinc/08/42/86/1124084286.db2.gz JUGUCJWLJYWYDB-KURKYZTESA-N 2 2 339.524 2.257 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001568353836 1124433039 /nfs/dbraw/zinc/43/30/39/1124433039.db2.gz HQNDLGDTEXVHHM-PBHICJAKSA-N 2 2 344.459 2.119 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568679217 1124691069 /nfs/dbraw/zinc/69/10/69/1124691069.db2.gz IQEDFFCOTCOYNH-KBAYOESNSA-N 2 2 340.471 2.251 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001568685912 1124697735 /nfs/dbraw/zinc/69/77/35/1124697735.db2.gz CPKNYRXKZURYBI-NEPJUHHUSA-N 2 2 335.477 2.038 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1F ZINC001568687523 1124699118 /nfs/dbraw/zinc/69/91/18/1124699118.db2.gz UJCOPAPTCVQDGF-KGLIPLIRSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1F ZINC001568687523 1124699121 /nfs/dbraw/zinc/69/91/21/1124699121.db2.gz UJCOPAPTCVQDGF-KGLIPLIRSA-N 2 2 332.423 2.412 10 0 EEAELP Cc1cccn2cc(CC(=O)NC/C=C/C[NH2+]CCC3CC3)[nH+]c12 ZINC001568934090 1124965196 /nfs/dbraw/zinc/96/51/96/1124965196.db2.gz MWUPUWNMOCXQFH-NSCUHMNNSA-N 2 2 326.444 2.247 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)NC(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272209 539992420 /nfs/dbraw/zinc/99/24/20/539992420.db2.gz NFRMVNWGXQPJJO-PWSUYJOCSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)NC(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272209 539992423 /nfs/dbraw/zinc/99/24/23/539992423.db2.gz NFRMVNWGXQPJJO-PWSUYJOCSA-N 2 2 325.482 2.232 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCN(c4ccccc4Cl)C3=O)C[C@@H]2C1 ZINC000193632571 283213376 /nfs/dbraw/zinc/21/33/76/283213376.db2.gz SRWQQWSVRKCYAY-VBQJREDUSA-N 2 2 333.863 2.329 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCN(c4ccccc4Cl)C3=O)C[C@@H]2C1 ZINC000193632571 283213377 /nfs/dbraw/zinc/21/33/77/283213377.db2.gz SRWQQWSVRKCYAY-VBQJREDUSA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCN(c4ccccc4Cl)C3=O)C[C@@H]2C1 ZINC000193632571 283213378 /nfs/dbraw/zinc/21/33/78/283213378.db2.gz SRWQQWSVRKCYAY-VBQJREDUSA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccccc4Cl)C3=O)C[C@@H]2C1 ZINC000193632571 283213379 /nfs/dbraw/zinc/21/33/79/283213379.db2.gz SRWQQWSVRKCYAY-VBQJREDUSA-N 2 2 333.863 2.329 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)NC[C@H](C)[NH+](CC)CC)c[nH+]1 ZINC000079182301 201202811 /nfs/dbraw/zinc/20/28/11/201202811.db2.gz DYCKNBKYMJJINJ-HNNXBMFYSA-N 2 2 335.496 2.457 10 0 EEAELP C[C@@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1c[nH+]ccc1N ZINC000422709237 240183740 /nfs/dbraw/zinc/18/37/40/240183740.db2.gz KBRKPIYMXCFQKO-CQSZACIVSA-N 2 2 333.457 2.150 10 0 EEAELP Fc1ccc(CN2CCC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422720826 240192213 /nfs/dbraw/zinc/19/22/13/240192213.db2.gz MXQKUVZDXPMLRO-PMACEKPBSA-N 2 2 347.478 2.147 10 0 EEAELP Fc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000422756010 240208550 /nfs/dbraw/zinc/20/85/50/240208550.db2.gz IOXIWPZBVAQDEP-HUUCEWRRSA-N 2 2 343.240 2.445 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCc2nc(C)no2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422938653 240299247 /nfs/dbraw/zinc/29/92/47/240299247.db2.gz DTPYERBMMJQCBE-WMZOPIPTSA-N 2 2 330.432 2.402 10 0 EEAELP Clc1cccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422832358 240251566 /nfs/dbraw/zinc/25/15/66/240251566.db2.gz FWLCYKAXVIGECM-JQHSSLGASA-N 2 2 335.879 2.275 10 0 EEAELP Cc1cc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)cc(N2CCCC2)[nH+]1 ZINC000427223670 241395901 /nfs/dbraw/zinc/39/59/01/241395901.db2.gz ONYRHNBINKNNHG-UHFFFAOYSA-N 2 2 327.432 2.307 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000438832230 242052415 /nfs/dbraw/zinc/05/24/15/242052415.db2.gz CDQGYHYTCBNWII-NVXWUHKLSA-N 2 2 328.464 2.267 10 0 EEAELP CS[C@@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000451314350 243073970 /nfs/dbraw/zinc/07/39/70/243073970.db2.gz ODSYGIHEXHIRSW-FUHWJXTLSA-N 2 2 347.528 2.329 10 0 EEAELP CS[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000451314350 243073972 /nfs/dbraw/zinc/07/39/72/243073972.db2.gz ODSYGIHEXHIRSW-FUHWJXTLSA-N 2 2 347.528 2.329 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000455600305 244037063 /nfs/dbraw/zinc/03/70/63/244037063.db2.gz BDFJRGDWTNURFP-UHFFFAOYSA-N 2 2 345.491 2.096 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000455600305 244037067 /nfs/dbraw/zinc/03/70/67/244037067.db2.gz BDFJRGDWTNURFP-UHFFFAOYSA-N 2 2 345.491 2.096 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000109754119 204292089 /nfs/dbraw/zinc/29/20/89/204292089.db2.gz QNIPLYLKZGYMIN-QGZVFWFLSA-N 2 2 335.467 2.436 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1F ZINC000109754119 204292091 /nfs/dbraw/zinc/29/20/91/204292091.db2.gz QNIPLYLKZGYMIN-QGZVFWFLSA-N 2 2 335.467 2.436 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)[C@H](C)C1 ZINC000174775890 207057098 /nfs/dbraw/zinc/05/70/98/207057098.db2.gz DZPWQYFFRODUAY-CRAIPNDOSA-N 2 2 335.467 2.446 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)[C@H](C)C1 ZINC000174775890 207057102 /nfs/dbraw/zinc/05/71/02/207057102.db2.gz DZPWQYFFRODUAY-CRAIPNDOSA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2F)[C@H](C)C1 ZINC000174775890 207057107 /nfs/dbraw/zinc/05/71/07/207057107.db2.gz DZPWQYFFRODUAY-CRAIPNDOSA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2F)[C@H](C)C1 ZINC000174775890 207057111 /nfs/dbraw/zinc/05/71/11/207057111.db2.gz DZPWQYFFRODUAY-CRAIPNDOSA-N 2 2 335.467 2.446 10 0 EEAELP Cc1ccc([C@@H](C)CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175790256 207159922 /nfs/dbraw/zinc/15/99/22/207159922.db2.gz KJTCUONUPAFTDH-KRWDZBQOSA-N 2 2 346.519 2.424 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000177344588 207323262 /nfs/dbraw/zinc/32/32/62/207323262.db2.gz LPBRPMJRDUOHQG-QZTJIDSGSA-N 2 2 341.459 2.360 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000177585353 207358450 /nfs/dbraw/zinc/35/84/50/207358450.db2.gz DLJFFZDKGVMABH-QGZVFWFLSA-N 2 2 337.427 2.436 10 0 EEAELP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328623661 258034840 /nfs/dbraw/zinc/03/48/40/258034840.db2.gz CBBDURUFESYXDZ-RYRKJORJSA-N 2 2 348.491 2.411 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000073443260 292170424 /nfs/dbraw/zinc/17/04/24/292170424.db2.gz UJRUZXAOWBEHLI-AWEZNQCLSA-N 2 2 333.436 2.234 10 0 EEAELP c1c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000093665544 159237240 /nfs/dbraw/zinc/23/72/40/159237240.db2.gz LQFSADJVJGWCDM-INIZCTEOSA-N 2 2 326.444 2.231 10 0 EEAELP c1c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000093665544 159237243 /nfs/dbraw/zinc/23/72/43/159237243.db2.gz LQFSADJVJGWCDM-INIZCTEOSA-N 2 2 326.444 2.231 10 0 EEAELP CC[C@H](O)C[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192045030 160166258 /nfs/dbraw/zinc/16/62/58/160166258.db2.gz UHJYNEXJZZKNPE-IBGZPJMESA-N 2 2 328.460 2.069 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3c(C)csc3n2)[C@@H](C)C1 ZINC000245445473 160235458 /nfs/dbraw/zinc/23/54/58/160235458.db2.gz YWUWVBOGXAWOJI-SWLSCSKDSA-N 2 2 334.489 2.227 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3c(C)csc3n2)[C@@H](C)C1 ZINC000245445473 160235460 /nfs/dbraw/zinc/23/54/60/160235460.db2.gz YWUWVBOGXAWOJI-SWLSCSKDSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3c(C)csc3n2)[C@@H](C)C1 ZINC000245445473 160235462 /nfs/dbraw/zinc/23/54/62/160235462.db2.gz YWUWVBOGXAWOJI-SWLSCSKDSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3c(C)csc3n2)[C@@H](C)C1 ZINC000245445473 160235463 /nfs/dbraw/zinc/23/54/63/160235463.db2.gz YWUWVBOGXAWOJI-SWLSCSKDSA-N 2 2 334.489 2.227 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245494476 160238638 /nfs/dbraw/zinc/23/86/38/160238638.db2.gz NNRNGLWDLSTQBE-QAPCUYQASA-N 2 2 339.443 2.423 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245494476 160238639 /nfs/dbraw/zinc/23/86/39/160238639.db2.gz NNRNGLWDLSTQBE-QAPCUYQASA-N 2 2 339.443 2.423 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000345099877 161271597 /nfs/dbraw/zinc/27/15/97/161271597.db2.gz SYNAWDIHEPCYEI-DOTOQJQBSA-N 2 2 325.403 2.168 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000345099877 161271598 /nfs/dbraw/zinc/27/15/98/161271598.db2.gz SYNAWDIHEPCYEI-DOTOQJQBSA-N 2 2 325.403 2.168 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000345099877 161271599 /nfs/dbraw/zinc/27/15/99/161271599.db2.gz SYNAWDIHEPCYEI-DOTOQJQBSA-N 2 2 325.403 2.168 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000345099877 161271600 /nfs/dbraw/zinc/27/16/00/161271600.db2.gz SYNAWDIHEPCYEI-DOTOQJQBSA-N 2 2 325.403 2.168 10 0 EEAELP C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346545635 161380826 /nfs/dbraw/zinc/38/08/26/161380826.db2.gz ZCJUTBNNECZERO-AWEZNQCLSA-N 2 2 333.457 2.348 10 0 EEAELP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000366431540 287010148 /nfs/dbraw/zinc/01/01/48/287010148.db2.gz KWCSKHIHCWHVQS-IUDNXUCKSA-N 2 2 337.489 2.002 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1NC(C)=O ZINC000153279150 292503173 /nfs/dbraw/zinc/50/31/73/292503173.db2.gz ICVWQMCYYGYCKT-LSDHHAIUSA-N 2 2 349.475 2.273 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000360248735 164267036 /nfs/dbraw/zinc/26/70/36/164267036.db2.gz JIQSLOKWUUJHGS-ZFWWWQNUSA-N 2 2 349.866 2.028 10 0 EEAELP CC[NH+](CC)CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374346239 167022464 /nfs/dbraw/zinc/02/24/64/167022464.db2.gz HHQDXTRMCBHFPE-MRXNPFEDSA-N 2 2 347.507 2.450 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292147916 275384510 /nfs/dbraw/zinc/38/45/10/275384510.db2.gz NESGUNSSVFAPSL-MBOZVWFJSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292147916 275384511 /nfs/dbraw/zinc/38/45/11/275384511.db2.gz NESGUNSSVFAPSL-MBOZVWFJSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292147916 275384512 /nfs/dbraw/zinc/38/45/12/275384512.db2.gz NESGUNSSVFAPSL-MBOZVWFJSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292147916 275384513 /nfs/dbraw/zinc/38/45/13/275384513.db2.gz NESGUNSSVFAPSL-MBOZVWFJSA-N 2 2 329.488 2.322 10 0 EEAELP CCN(CC[NH+]1CCOCC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000340817344 276124674 /nfs/dbraw/zinc/12/46/74/276124674.db2.gz LTZKIKJTOYANKS-QUCCMNQESA-N 2 2 331.504 2.476 10 0 EEAELP CCN(CC[NH+]1CCOCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000340817344 276124675 /nfs/dbraw/zinc/12/46/75/276124675.db2.gz LTZKIKJTOYANKS-QUCCMNQESA-N 2 2 331.504 2.476 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297124793 294158443 /nfs/dbraw/zinc/15/84/43/294158443.db2.gz PJZYXPQNHKGGDT-OAHLLOKOSA-N 2 2 327.432 2.131 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449398583 303062921 /nfs/dbraw/zinc/06/29/21/303062921.db2.gz VTSQIZKDAARCBK-KRWDZBQOSA-N 2 2 328.460 2.024 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449398583 303062923 /nfs/dbraw/zinc/06/29/23/303062923.db2.gz VTSQIZKDAARCBK-KRWDZBQOSA-N 2 2 328.460 2.024 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000333908726 312212485 /nfs/dbraw/zinc/21/24/85/312212485.db2.gz KQSVVJKGMMKKEX-MNEFBYGVSA-N 2 2 345.491 2.282 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000333908726 312212487 /nfs/dbraw/zinc/21/24/87/312212487.db2.gz KQSVVJKGMMKKEX-MNEFBYGVSA-N 2 2 345.491 2.282 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000393320132 312441503 /nfs/dbraw/zinc/44/15/03/312441503.db2.gz GTHJZUMOROCZOA-WCFLWFBJSA-N 2 2 327.270 2.193 10 0 EEAELP C[C@@H](CCC[NH3+])NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414729657 313070892 /nfs/dbraw/zinc/07/08/92/313070892.db2.gz CSIFPCHCFBCBCD-LBPRGKRZSA-N 2 2 325.482 2.378 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@H]([NH3+])[C@@H]3C)c2C)cc1 ZINC000414782816 313087758 /nfs/dbraw/zinc/08/77/58/313087758.db2.gz JKKCQMOXWSZWCS-KXBFYZLASA-N 2 2 328.460 2.478 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@H]([NH3+])[C@@H]3C)c2C)cc1 ZINC000414782816 313087760 /nfs/dbraw/zinc/08/77/60/313087760.db2.gz JKKCQMOXWSZWCS-KXBFYZLASA-N 2 2 328.460 2.478 10 0 EEAELP O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417081261 313416361 /nfs/dbraw/zinc/41/63/61/313416361.db2.gz TZKUHCREYGSJDM-INIZCTEOSA-N 2 2 341.459 2.120 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C2 ZINC000526007147 317104095 /nfs/dbraw/zinc/10/40/95/317104095.db2.gz KYCQNTNZLINOKO-CABCVRRESA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000526007147 317104099 /nfs/dbraw/zinc/10/40/99/317104099.db2.gz KYCQNTNZLINOKO-CABCVRRESA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CC2 ZINC000526007147 317104102 /nfs/dbraw/zinc/10/41/02/317104102.db2.gz KYCQNTNZLINOKO-CABCVRRESA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000526007147 317104105 /nfs/dbraw/zinc/10/41/05/317104105.db2.gz KYCQNTNZLINOKO-CABCVRRESA-N 2 2 332.492 2.438 10 0 EEAELP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527650534 317236415 /nfs/dbraw/zinc/23/64/15/317236415.db2.gz QAJNTGOYMVQOHK-SZMVWBNQSA-N 2 2 342.487 2.145 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)CCN(C)c2cc[nH+]cc2)c[nH+]1 ZINC000541857981 318112377 /nfs/dbraw/zinc/11/23/77/318112377.db2.gz SLYNYVOLPYNRDK-UHFFFAOYSA-N 2 2 341.459 2.466 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000564936426 319130330 /nfs/dbraw/zinc/13/03/30/319130330.db2.gz GHYPHSFDCKWOBN-KRWDZBQOSA-N 2 2 341.459 2.307 10 0 EEAELP O=C(Cn1cc[nH+]c1)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000566043092 319237368 /nfs/dbraw/zinc/23/73/68/319237368.db2.gz KFHQVFXKJRWGLC-UHFFFAOYSA-N 2 2 349.398 2.158 10 0 EEAELP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC1 ZINC000566110524 319245905 /nfs/dbraw/zinc/24/59/05/319245905.db2.gz LFYWUGHGKLHOAE-QGZVFWFLSA-N 2 2 334.460 2.187 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC1 ZINC000566110524 319245906 /nfs/dbraw/zinc/24/59/06/319245906.db2.gz LFYWUGHGKLHOAE-QGZVFWFLSA-N 2 2 334.460 2.187 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000566453907 319290012 /nfs/dbraw/zinc/29/00/12/319290012.db2.gz YYZIXDVGMQGBCO-UHFFFAOYSA-N 2 2 330.476 2.267 10 0 EEAELP COc1ccc([C@@H]([NH2+]C2CCC(C(N)=O)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000573952410 319981834 /nfs/dbraw/zinc/98/18/34/319981834.db2.gz DDZOXCAKQJTNLW-MUDYYLEHSA-N 2 2 331.460 2.122 10 0 EEAELP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000576766204 320201945 /nfs/dbraw/zinc/20/19/45/320201945.db2.gz SGLLSOUURXZAAC-WMZOPIPTSA-N 2 2 345.487 2.006 10 0 EEAELP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000576766204 320201948 /nfs/dbraw/zinc/20/19/48/320201948.db2.gz SGLLSOUURXZAAC-WMZOPIPTSA-N 2 2 345.487 2.006 10 0 EEAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000577860478 320280508 /nfs/dbraw/zinc/28/05/08/320280508.db2.gz HQCYZKBLDDBIHJ-HUUCEWRRSA-N 2 2 329.444 2.420 10 0 EEAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000577860478 320280510 /nfs/dbraw/zinc/28/05/10/320280510.db2.gz HQCYZKBLDDBIHJ-HUUCEWRRSA-N 2 2 329.444 2.420 10 0 EEAELP COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000336878418 465073608 /nfs/dbraw/zinc/07/36/08/465073608.db2.gz FGRMGHUCNCUXOC-MAUKXSAKSA-N 2 2 334.460 2.296 10 0 EEAELP COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000336878418 465073614 /nfs/dbraw/zinc/07/36/14/465073614.db2.gz FGRMGHUCNCUXOC-MAUKXSAKSA-N 2 2 334.460 2.296 10 0 EEAELP COc1ccc(OC)c([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000336878418 465073618 /nfs/dbraw/zinc/07/36/18/465073618.db2.gz FGRMGHUCNCUXOC-MAUKXSAKSA-N 2 2 334.460 2.296 10 0 EEAELP COc1ccc(OC)c([C@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000336878418 465073623 /nfs/dbraw/zinc/07/36/23/465073623.db2.gz FGRMGHUCNCUXOC-MAUKXSAKSA-N 2 2 334.460 2.296 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000298072879 465292898 /nfs/dbraw/zinc/29/28/98/465292898.db2.gz VBVLHHRAOJNKSU-CVEARBPZSA-N 2 2 332.448 2.247 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000298072879 465292903 /nfs/dbraw/zinc/29/29/03/465292903.db2.gz VBVLHHRAOJNKSU-CVEARBPZSA-N 2 2 332.448 2.247 10 0 EEAELP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cc[nH+]c1 ZINC000074220999 462571639 /nfs/dbraw/zinc/57/16/39/462571639.db2.gz FKOGTDNTCYUOPR-SFHVURJKSA-N 2 2 326.444 2.254 10 0 EEAELP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cc[nH+]c1 ZINC000074220999 462571644 /nfs/dbraw/zinc/57/16/44/462571644.db2.gz FKOGTDNTCYUOPR-SFHVURJKSA-N 2 2 326.444 2.254 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045371428 462581125 /nfs/dbraw/zinc/58/11/25/462581125.db2.gz FDQJKCHZGLUXFW-MRXNPFEDSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045371428 462581128 /nfs/dbraw/zinc/58/11/28/462581128.db2.gz FDQJKCHZGLUXFW-MRXNPFEDSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490943 462592407 /nfs/dbraw/zinc/59/24/07/462592407.db2.gz VVWAOJVEHQOJTG-MRXNPFEDSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490943 462592411 /nfs/dbraw/zinc/59/24/11/462592411.db2.gz VVWAOJVEHQOJTG-MRXNPFEDSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC[N@H+]1C ZINC000579128084 468315797 /nfs/dbraw/zinc/31/57/97/468315797.db2.gz JDWNDOSQWJJLGG-JHJVBQTASA-N 2 2 346.397 2.397 10 0 EEAELP CC1CC[NH+](CCCNC(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000048190125 462871069 /nfs/dbraw/zinc/87/10/69/462871069.db2.gz WNSXHFLDAUWXQD-UHFFFAOYSA-N 2 2 333.480 2.069 10 0 EEAELP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000091318797 462872880 /nfs/dbraw/zinc/87/28/80/462872880.db2.gz GRVRTAOPDHQNPD-AWEZNQCLSA-N 2 2 348.472 2.272 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000157706861 463160516 /nfs/dbraw/zinc/16/05/16/463160516.db2.gz FNNZHBHKYLQZDH-HOCLYGCPSA-N 2 2 349.523 2.150 10 0 EEAELP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000122310401 463253967 /nfs/dbraw/zinc/25/39/67/463253967.db2.gz VDTASLGUFJAULI-OWCLPIDISA-N 2 2 341.496 2.085 10 0 EEAELP C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000122310401 463253969 /nfs/dbraw/zinc/25/39/69/463253969.db2.gz VDTASLGUFJAULI-OWCLPIDISA-N 2 2 341.496 2.085 10 0 EEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000124401420 463418779 /nfs/dbraw/zinc/41/87/79/463418779.db2.gz WJVPPQVFFFXQGH-KRWDZBQOSA-N 2 2 347.507 2.457 10 0 EEAELP COc1ccccc1[C@H](CNC(=O)Cn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000072998327 463572415 /nfs/dbraw/zinc/57/24/15/463572415.db2.gz WRDCXNBQSRTETE-KRWDZBQOSA-N 2 2 342.443 2.235 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000553404397 468364921 /nfs/dbraw/zinc/36/49/21/468364921.db2.gz AGXQWMIUAZFTJB-UHFFFAOYSA-N 2 2 344.459 2.335 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000553404397 468364926 /nfs/dbraw/zinc/36/49/26/468364926.db2.gz AGXQWMIUAZFTJB-UHFFFAOYSA-N 2 2 344.459 2.335 10 0 EEAELP CC[NH+]1CCN(c2ccc(-c3nc(C4([NH3+])CCC4)no3)cc2F)CC1 ZINC000261694849 463830065 /nfs/dbraw/zinc/83/00/65/463830065.db2.gz HUJYVGIAHWRAIJ-UHFFFAOYSA-N 2 2 345.422 2.356 10 0 EEAELP CCC[C@H](C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)[NH+](C)C ZINC000178643101 463935656 /nfs/dbraw/zinc/93/56/56/463935656.db2.gz MXVHPONYZBGNGL-LJQANCHMSA-N 2 2 347.503 2.460 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnnn2Cc2ccccc2)[C@H](C)C1 ZINC000292665379 464303063 /nfs/dbraw/zinc/30/30/63/464303063.db2.gz YZNCUGKISBIKLG-APWZRJJASA-N 2 2 327.476 2.489 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnnn2Cc2ccccc2)[C@H](C)C1 ZINC000292665379 464303064 /nfs/dbraw/zinc/30/30/64/464303064.db2.gz YZNCUGKISBIKLG-APWZRJJASA-N 2 2 327.476 2.489 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnnn2Cc2ccccc2)[C@H](C)C1 ZINC000292665379 464303065 /nfs/dbraw/zinc/30/30/65/464303065.db2.gz YZNCUGKISBIKLG-APWZRJJASA-N 2 2 327.476 2.489 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnnn2Cc2ccccc2)[C@H](C)C1 ZINC000292665379 464303067 /nfs/dbraw/zinc/30/30/67/464303067.db2.gz YZNCUGKISBIKLG-APWZRJJASA-N 2 2 327.476 2.489 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181524560 464500730 /nfs/dbraw/zinc/50/07/30/464500730.db2.gz GDAYCRQQLGNATF-AWEZNQCLSA-N 2 2 328.464 2.271 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000181524560 464500734 /nfs/dbraw/zinc/50/07/34/464500734.db2.gz GDAYCRQQLGNATF-AWEZNQCLSA-N 2 2 328.464 2.271 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@H](C)C1 ZINC000190004460 464584026 /nfs/dbraw/zinc/58/40/26/464584026.db2.gz LEQIXOMZUBIJFE-WBVHZDCISA-N 2 2 349.523 2.309 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@H](C)C1 ZINC000190004460 464584027 /nfs/dbraw/zinc/58/40/27/464584027.db2.gz LEQIXOMZUBIJFE-WBVHZDCISA-N 2 2 349.523 2.309 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)Cc3c[nH+]cn3C)c2)C[C@H](C)O1 ZINC000554514596 468411631 /nfs/dbraw/zinc/41/16/31/468411631.db2.gz APYINQJURISXRD-GASCZTMLSA-N 2 2 342.443 2.211 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)Cc3c[nH+]cn3C)c2)C[C@H](C)O1 ZINC000554514596 468411637 /nfs/dbraw/zinc/41/16/37/468411637.db2.gz APYINQJURISXRD-GASCZTMLSA-N 2 2 342.443 2.211 10 0 EEAELP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000247657285 464700389 /nfs/dbraw/zinc/70/03/89/464700389.db2.gz XIFQDWDFXXBCSS-XHSDSOJGSA-N 2 2 341.496 2.085 10 0 EEAELP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000247657285 464700393 /nfs/dbraw/zinc/70/03/93/464700393.db2.gz XIFQDWDFXXBCSS-XHSDSOJGSA-N 2 2 341.496 2.085 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000265920489 464733045 /nfs/dbraw/zinc/73/30/45/464733045.db2.gz BWUPEMFDJXKYKJ-CRAIPNDOSA-N 2 2 326.444 2.486 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1C ZINC000265920489 464733052 /nfs/dbraw/zinc/73/30/52/464733052.db2.gz BWUPEMFDJXKYKJ-CRAIPNDOSA-N 2 2 326.444 2.486 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000266716485 464798665 /nfs/dbraw/zinc/79/86/65/464798665.db2.gz RSUMCVFYKDPILD-HZPDHXFCSA-N 2 2 327.432 2.103 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000266716485 464798671 /nfs/dbraw/zinc/79/86/71/464798671.db2.gz RSUMCVFYKDPILD-HZPDHXFCSA-N 2 2 327.432 2.103 10 0 EEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183439476 464864422 /nfs/dbraw/zinc/86/44/22/464864422.db2.gz GUAQEAUJBIVFHB-YOEHRIQHSA-N 2 2 347.459 2.264 10 0 EEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183439476 464864425 /nfs/dbraw/zinc/86/44/25/464864425.db2.gz GUAQEAUJBIVFHB-YOEHRIQHSA-N 2 2 347.459 2.264 10 0 EEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000184330772 464966744 /nfs/dbraw/zinc/96/67/44/464966744.db2.gz NDFCYYGVOHFSTH-OALUTQOASA-N 2 2 347.503 2.215 10 0 EEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000184330772 464966751 /nfs/dbraw/zinc/96/67/51/464966751.db2.gz NDFCYYGVOHFSTH-OALUTQOASA-N 2 2 347.503 2.215 10 0 EEAELP CC1CC[NH+](CCCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000177366855 464996271 /nfs/dbraw/zinc/99/62/71/464996271.db2.gz WYLBCLNMTWBCNC-KRWDZBQOSA-N 2 2 333.480 2.179 10 0 EEAELP CC[C@@H](C)[NH2+][C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccco1 ZINC000359541341 465442113 /nfs/dbraw/zinc/44/21/13/465442113.db2.gz KSCMDBKTRNUXTC-HZPDHXFCSA-N 2 2 349.475 2.080 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000343854653 465559937 /nfs/dbraw/zinc/55/99/37/465559937.db2.gz ACAVPHATSGIRLQ-JLSDUUJJSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000343854653 465559940 /nfs/dbraw/zinc/55/99/40/465559940.db2.gz ACAVPHATSGIRLQ-JLSDUUJJSA-N 2 2 337.895 2.253 10 0 EEAELP O=C1NCCC[C@@H]1[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000362318620 465654030 /nfs/dbraw/zinc/65/40/30/465654030.db2.gz DPRCRLVDRJAHMF-OTWHNJEPSA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000362318620 465654037 /nfs/dbraw/zinc/65/40/37/465654037.db2.gz DPRCRLVDRJAHMF-OTWHNJEPSA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000362318620 465654041 /nfs/dbraw/zinc/65/40/41/465654041.db2.gz DPRCRLVDRJAHMF-OTWHNJEPSA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000362318620 465654050 /nfs/dbraw/zinc/65/40/50/465654050.db2.gz DPRCRLVDRJAHMF-OTWHNJEPSA-N 2 2 327.472 2.252 10 0 EEAELP Cc1cccc2ncc(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)n21 ZINC000362375534 465689061 /nfs/dbraw/zinc/68/90/61/465689061.db2.gz FSNJPEURBLBMMH-SFHVURJKSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccc2ncc(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)n21 ZINC000362375534 465689069 /nfs/dbraw/zinc/68/90/69/465689069.db2.gz FSNJPEURBLBMMH-SFHVURJKSA-N 2 2 341.503 2.245 10 0 EEAELP C[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000362418267 465722353 /nfs/dbraw/zinc/72/23/53/465722353.db2.gz FSVGMDBMWDBHPP-ROUUACIJSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@H]1CC[C@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000362418267 465722359 /nfs/dbraw/zinc/72/23/59/465722359.db2.gz FSVGMDBMWDBHPP-ROUUACIJSA-N 2 2 329.488 2.451 10 0 EEAELP FC(F)Oc1cc2c(cc1C[NH2+][C@H]1CCc3[nH+]c[nH]c3C1)OCO2 ZINC000353251482 465744993 /nfs/dbraw/zinc/74/49/93/465744993.db2.gz QYJKAMCNJMWWMS-JTQLQIEISA-N 2 2 337.326 2.387 10 0 EEAELP FC(F)Oc1cc2c(cc1C[NH2+][C@H]1CCc3[nH]c[nH+]c3C1)OCO2 ZINC000353251482 465745001 /nfs/dbraw/zinc/74/50/01/465745001.db2.gz QYJKAMCNJMWWMS-JTQLQIEISA-N 2 2 337.326 2.387 10 0 EEAELP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(F)cc1Cl ZINC000338312281 466013907 /nfs/dbraw/zinc/01/39/07/466013907.db2.gz FZYATOYPBKSALM-UHFFFAOYSA-N 2 2 327.831 2.075 10 0 EEAELP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(F)cc1Cl ZINC000338312281 466013914 /nfs/dbraw/zinc/01/39/14/466013914.db2.gz FZYATOYPBKSALM-UHFFFAOYSA-N 2 2 327.831 2.075 10 0 EEAELP COC[C@H](O)C[NH+]1CCC(Nc2[nH+]c3ccccc3cc2C)CC1 ZINC000301868110 466050648 /nfs/dbraw/zinc/05/06/48/466050648.db2.gz IQUVBTKLQWNGKL-QGZVFWFLSA-N 2 2 329.444 2.427 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000361519227 466066326 /nfs/dbraw/zinc/06/63/26/466066326.db2.gz NBIUNEFOIOCDJV-UHFFFAOYSA-N 2 2 335.448 2.334 10 0 EEAELP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1C ZINC000353747496 466114199 /nfs/dbraw/zinc/11/41/99/466114199.db2.gz MPZGXDTVIVPABU-UHFFFAOYSA-N 2 2 341.459 2.182 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001935 466379065 /nfs/dbraw/zinc/37/90/65/466379065.db2.gz FWDNUQOIPGALGJ-ICSRJNTNSA-N 3 2 330.520 2.129 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001935 466379071 /nfs/dbraw/zinc/37/90/71/466379071.db2.gz FWDNUQOIPGALGJ-ICSRJNTNSA-N 3 2 330.520 2.129 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358237126 466564349 /nfs/dbraw/zinc/56/43/49/466564349.db2.gz OXKHQKIAROJVGI-UHFFFAOYSA-N 2 2 335.496 2.460 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000354518990 466624913 /nfs/dbraw/zinc/62/49/13/466624913.db2.gz XXLCSSBOIWLOTD-FUHWJXTLSA-N 2 2 343.475 2.491 10 0 EEAELP COc1ccc2c(c1)C[C@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC000423223782 466699996 /nfs/dbraw/zinc/69/99/96/466699996.db2.gz ANFWZIMDRCFKAX-QGZVFWFLSA-N 2 2 338.455 2.469 10 0 EEAELP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)CCC2 ZINC000423240295 466702340 /nfs/dbraw/zinc/70/23/40/466702340.db2.gz CBCOJELZDGLDRW-QZTJIDSGSA-N 2 2 345.468 2.001 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423251518 466703835 /nfs/dbraw/zinc/70/38/35/466703835.db2.gz WNEARMVVJDFYFP-CXAGYDPISA-N 2 2 333.457 2.409 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)[C@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423745352 466821439 /nfs/dbraw/zinc/82/14/39/466821439.db2.gz MHXHWDJRJNICOJ-ZEPSKSRBSA-N 2 2 325.403 2.201 10 0 EEAELP CN(C(=O)c1cc2[nH]ccc2s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373504467 466825983 /nfs/dbraw/zinc/82/59/83/466825983.db2.gz VXDCGRLHPWTMDF-AWEZNQCLSA-N 2 2 346.500 2.470 10 0 EEAELP CN(C(=O)c1cc2[nH]ccc2s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373504467 466825987 /nfs/dbraw/zinc/82/59/87/466825987.db2.gz VXDCGRLHPWTMDF-AWEZNQCLSA-N 2 2 346.500 2.470 10 0 EEAELP C[C@H]1CC(C)(C)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412035596 466972798 /nfs/dbraw/zinc/97/27/98/466972798.db2.gz GBOAJBUBPLIYOO-INIZCTEOSA-N 2 2 330.476 2.241 10 0 EEAELP C[C@H]1CC(C)(C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412035596 466972802 /nfs/dbraw/zinc/97/28/02/466972802.db2.gz GBOAJBUBPLIYOO-INIZCTEOSA-N 2 2 330.476 2.241 10 0 EEAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418559559 467128489 /nfs/dbraw/zinc/12/84/89/467128489.db2.gz QXQCFAMSFILAQC-RDJZCZTQSA-N 2 2 333.480 2.083 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451839092 467269875 /nfs/dbraw/zinc/26/98/75/467269875.db2.gz NMLKSZXDUCYABN-WBVHZDCISA-N 2 2 331.460 2.359 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451839092 467269877 /nfs/dbraw/zinc/26/98/77/467269877.db2.gz NMLKSZXDUCYABN-WBVHZDCISA-N 2 2 331.460 2.359 10 0 EEAELP O=C(CC[NH2+][C@@H]1CC2CCC1CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000432999104 467282990 /nfs/dbraw/zinc/28/29/90/467282990.db2.gz BIQTWGBKDNGPDC-DAWZGUTISA-N 2 2 342.487 2.289 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000414274677 467396951 /nfs/dbraw/zinc/39/69/51/467396951.db2.gz VHEHVTWNAYZIAC-RSPOEFSDSA-N 2 2 331.504 2.063 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000414274677 467396954 /nfs/dbraw/zinc/39/69/54/467396954.db2.gz VHEHVTWNAYZIAC-RSPOEFSDSA-N 2 2 331.504 2.063 10 0 EEAELP CC1=C[C@@H](C)C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430278042 467416870 /nfs/dbraw/zinc/41/68/70/467416870.db2.gz HMCSXXAXYBUPBU-OAHLLOKOSA-N 2 2 333.501 2.290 10 0 EEAELP CC1=C[C@@H](C)C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430278042 467416873 /nfs/dbraw/zinc/41/68/73/467416873.db2.gz HMCSXXAXYBUPBU-OAHLLOKOSA-N 2 2 333.501 2.290 10 0 EEAELP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000453269479 467473567 /nfs/dbraw/zinc/47/35/67/467473567.db2.gz RKQZLGIBTKHKLR-KBPBESRZSA-N 2 2 340.439 2.340 10 0 EEAELP COc1cc(F)c([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OC ZINC000453269479 467473570 /nfs/dbraw/zinc/47/35/70/467473570.db2.gz RKQZLGIBTKHKLR-KBPBESRZSA-N 2 2 340.439 2.340 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@H](NC[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088988 467486831 /nfs/dbraw/zinc/48/68/31/467486831.db2.gz WASTZGNBQDIHTN-IRXDYDNUSA-N 2 2 335.492 2.241 10 0 EEAELP COc1cc(C[N@H+]2CC[C@H](NC[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088988 467486833 /nfs/dbraw/zinc/48/68/33/467486833.db2.gz WASTZGNBQDIHTN-IRXDYDNUSA-N 2 2 335.492 2.241 10 0 EEAELP OC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccsc1 ZINC000420915356 467512284 /nfs/dbraw/zinc/51/22/84/467512284.db2.gz DTFLLYLYNUZSTL-GOSISDBHSA-N 2 2 332.469 2.404 10 0 EEAELP OCCNc1[nH+]c2ccccc2n1Cc1c[nH+]cn1Cc1ccccc1 ZINC000437629962 467557084 /nfs/dbraw/zinc/55/70/84/467557084.db2.gz ZYSMBPPCNASYLG-UHFFFAOYSA-N 2 2 347.422 2.734 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OC(F)F ZINC000449392182 467637246 /nfs/dbraw/zinc/63/72/46/467637246.db2.gz JLHUTIKFOOQIIA-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OC(F)F ZINC000449392182 467637249 /nfs/dbraw/zinc/63/72/49/467637249.db2.gz JLHUTIKFOOQIIA-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000458067535 467763230 /nfs/dbraw/zinc/76/32/30/467763230.db2.gz KJDVPCAJIMWLDN-AWEZNQCLSA-N 2 2 333.436 2.378 10 0 EEAELP C[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000529347017 467851011 /nfs/dbraw/zinc/85/10/11/467851011.db2.gz CRINXKVEKGYLDR-OAHLLOKOSA-N 2 2 344.484 2.199 10 0 EEAELP C[N@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3)s2)[C@H](C[NH3+])C1 ZINC000529347017 467851014 /nfs/dbraw/zinc/85/10/14/467851014.db2.gz CRINXKVEKGYLDR-OAHLLOKOSA-N 2 2 344.484 2.199 10 0 EEAELP Cc1ccccc1[C@H](C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219142 467964775 /nfs/dbraw/zinc/96/47/75/467964775.db2.gz KMWWNIKWNGYIGL-RBUKOAKNSA-N 2 2 329.488 2.243 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000557113369 468613002 /nfs/dbraw/zinc/61/30/02/468613002.db2.gz ACZQXIZIXNMMNQ-AWEZNQCLSA-N 2 2 333.823 2.024 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000594937258 468726957 /nfs/dbraw/zinc/72/69/57/468726957.db2.gz HHCVALHXGWGHKM-GDAAHCPNSA-N 2 2 346.471 2.065 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000594937258 468726961 /nfs/dbraw/zinc/72/69/61/468726961.db2.gz HHCVALHXGWGHKM-GDAAHCPNSA-N 2 2 346.471 2.065 10 0 EEAELP O=C(NCC[C@@H]1CC[NH2+]C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000584338684 468848432 /nfs/dbraw/zinc/84/84/32/468848432.db2.gz LNEBYOUAGNEFIO-ZDUSSCGKSA-N 2 2 337.493 2.250 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000584872764 468952343 /nfs/dbraw/zinc/95/23/43/468952343.db2.gz HDAREZQLZSDUAC-AEFFLSMTSA-N 2 2 326.444 2.395 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000584872764 468952346 /nfs/dbraw/zinc/95/23/46/468952346.db2.gz HDAREZQLZSDUAC-AEFFLSMTSA-N 2 2 326.444 2.395 10 0 EEAELP CCOC(=O)C12CC(C1)C[N@@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000595864194 469052596 /nfs/dbraw/zinc/05/25/96/469052596.db2.gz QUCMXPOEVYTKKH-UHFFFAOYSA-N 2 2 344.455 2.046 10 0 EEAELP CCOC(=O)C12CC(C1)C[N@H+]2Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000595864194 469052603 /nfs/dbraw/zinc/05/26/03/469052603.db2.gz QUCMXPOEVYTKKH-UHFFFAOYSA-N 2 2 344.455 2.046 10 0 EEAELP COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000595906975 469075885 /nfs/dbraw/zinc/07/58/85/469075885.db2.gz POQALXZTJLRXBN-GJZGRUSLSA-N 2 2 338.448 2.478 10 0 EEAELP COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000595906975 469075892 /nfs/dbraw/zinc/07/58/92/469075892.db2.gz POQALXZTJLRXBN-GJZGRUSLSA-N 2 2 338.448 2.478 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)s1 ZINC000596106353 469157926 /nfs/dbraw/zinc/15/79/26/469157926.db2.gz OYBITSYQTARROC-OLZOCXBDSA-N 2 2 325.478 2.483 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)s1 ZINC000596106353 469157929 /nfs/dbraw/zinc/15/79/29/469157929.db2.gz OYBITSYQTARROC-OLZOCXBDSA-N 2 2 325.478 2.483 10 0 EEAELP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000599300022 469198086 /nfs/dbraw/zinc/19/80/86/469198086.db2.gz KYZACYALCPSNNC-SJORKVTESA-N 2 2 340.508 2.397 10 0 EEAELP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000599300022 469198089 /nfs/dbraw/zinc/19/80/89/469198089.db2.gz KYZACYALCPSNNC-SJORKVTESA-N 2 2 340.508 2.397 10 0 EEAELP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(C)noc1C ZINC000602202399 469240069 /nfs/dbraw/zinc/24/00/69/469240069.db2.gz JFXQLOOSPKGTFD-NVXWUHKLSA-N 2 2 348.491 2.070 10 0 EEAELP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(C)noc1C ZINC000602202399 469240072 /nfs/dbraw/zinc/24/00/72/469240072.db2.gz JFXQLOOSPKGTFD-NVXWUHKLSA-N 2 2 348.491 2.070 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618655871 469414429 /nfs/dbraw/zinc/41/44/29/469414429.db2.gz LGOUKSQXXSLBCJ-HNNXBMFYSA-N 2 2 330.476 2.285 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618655871 469414433 /nfs/dbraw/zinc/41/44/33/469414433.db2.gz LGOUKSQXXSLBCJ-HNNXBMFYSA-N 2 2 330.476 2.285 10 0 EEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625967028 469451241 /nfs/dbraw/zinc/45/12/41/469451241.db2.gz VWCJBINCDCZSPV-ZWKOTPCHSA-N 2 2 338.455 2.493 10 0 EEAELP Cc1[nH+]c[nH]c1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625967028 469451244 /nfs/dbraw/zinc/45/12/44/469451244.db2.gz VWCJBINCDCZSPV-ZWKOTPCHSA-N 2 2 338.455 2.493 10 0 EEAELP C[NH+]1CC[C@@H](NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1(C)C ZINC000623574719 469698828 /nfs/dbraw/zinc/69/88/28/469698828.db2.gz VNNDLLPUWKXWKY-WOJBJXKFSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CC[C@@H](NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1(C)C ZINC000623574719 469698830 /nfs/dbraw/zinc/69/88/30/469698830.db2.gz VNNDLLPUWKXWKY-WOJBJXKFSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623574719 469698834 /nfs/dbraw/zinc/69/88/34/469698834.db2.gz VNNDLLPUWKXWKY-WOJBJXKFSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CCN(Cc2ccccc2)[C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623574719 469698835 /nfs/dbraw/zinc/69/88/35/469698835.db2.gz VNNDLLPUWKXWKY-WOJBJXKFSA-N 2 2 344.547 2.265 10 0 EEAELP C[N@H+](CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C1CCC1 ZINC000630026858 469706139 /nfs/dbraw/zinc/70/61/39/469706139.db2.gz KSTUQRROADAKGL-UHFFFAOYSA-N 2 2 340.471 2.296 10 0 EEAELP C[N@@H+](CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C1CCC1 ZINC000630026858 469706145 /nfs/dbraw/zinc/70/61/45/469706145.db2.gz KSTUQRROADAKGL-UHFFFAOYSA-N 2 2 340.471 2.296 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000623876790 469786458 /nfs/dbraw/zinc/78/64/58/469786458.db2.gz FZKAONLCOMDZRG-MJGOQNOKSA-N 2 2 348.487 2.445 10 0 EEAELP Cc1nc(-c2ccccc2)oc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766382 469797753 /nfs/dbraw/zinc/79/77/53/469797753.db2.gz ILTUESIGTHPNHF-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP Cc1nc(-c2ccccc2)oc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766382 469797755 /nfs/dbraw/zinc/79/77/55/469797755.db2.gz ILTUESIGTHPNHF-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@H](C)[NH2+]1 ZINC000620903436 469944941 /nfs/dbraw/zinc/94/49/41/469944941.db2.gz RKIKIHGVHZDRIK-DOTOQJQBSA-N 2 2 330.476 2.205 10 0 EEAELP CC[NH+](CC)[C@@H](C(=O)NC1CC([NH+]2CCOCC2)C1)c1ccccc1 ZINC000627932417 470028248 /nfs/dbraw/zinc/02/82/48/470028248.db2.gz SGSMIUHSCLXNFV-CTWPCTMYSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631110173 470070660 /nfs/dbraw/zinc/07/06/60/470070660.db2.gz KWOZWNWYMNTHLI-YESZJQIVSA-N 2 2 347.507 2.057 10 0 EEAELP C[C@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000631110173 470070663 /nfs/dbraw/zinc/07/06/63/470070663.db2.gz KWOZWNWYMNTHLI-YESZJQIVSA-N 2 2 347.507 2.057 10 0 EEAELP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631170131 470084941 /nfs/dbraw/zinc/08/49/41/470084941.db2.gz XNEBDSFIRYJRHD-IAGOWNOFSA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631170131 470084943 /nfs/dbraw/zinc/08/49/43/470084943.db2.gz XNEBDSFIRYJRHD-IAGOWNOFSA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N)nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000631170131 470084944 /nfs/dbraw/zinc/08/49/44/470084944.db2.gz XNEBDSFIRYJRHD-IAGOWNOFSA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N)nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000631170131 470084946 /nfs/dbraw/zinc/08/49/46/470084946.db2.gz XNEBDSFIRYJRHD-IAGOWNOFSA-N 2 2 338.459 2.253 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000631183317 470088247 /nfs/dbraw/zinc/08/82/47/470088247.db2.gz OHQMFFKAHBSNLA-UYAOXDASSA-N 2 2 346.471 2.055 10 0 EEAELP Clc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(-n2cncn2)c1 ZINC000631889635 470189633 /nfs/dbraw/zinc/18/96/33/470189633.db2.gz IKWBNDSTTFTVEZ-CZUORRHYSA-N 2 2 331.851 2.495 10 0 EEAELP Clc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(-n2cncn2)c1 ZINC000631889635 470189634 /nfs/dbraw/zinc/18/96/34/470189634.db2.gz IKWBNDSTTFTVEZ-CZUORRHYSA-N 2 2 331.851 2.495 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634648903 470274622 /nfs/dbraw/zinc/27/46/22/470274622.db2.gz BJCDWJRHWNWILR-OAQYLSRUSA-N 2 2 344.499 2.372 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634648903 470274623 /nfs/dbraw/zinc/27/46/23/470274623.db2.gz BJCDWJRHWNWILR-OAQYLSRUSA-N 2 2 344.499 2.372 10 0 EEAELP O[C@H](C[NH+]1CC(Cc2ccco2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000634651118 470274954 /nfs/dbraw/zinc/27/49/54/470274954.db2.gz FCVKXFWGOLIGCI-IBGZPJMESA-N 2 2 326.440 2.173 10 0 EEAELP O[C@H](C[NH+]1CC(Cc2ccco2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000634651118 470274955 /nfs/dbraw/zinc/27/49/55/470274955.db2.gz FCVKXFWGOLIGCI-IBGZPJMESA-N 2 2 326.440 2.173 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000634716740 470285221 /nfs/dbraw/zinc/28/52/21/470285221.db2.gz YXZLJXKTEWNNDS-CQSZACIVSA-N 2 2 344.242 2.299 10 0 EEAELP OC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000634719897 470286101 /nfs/dbraw/zinc/28/61/01/470286101.db2.gz BBYYZFDESKIIJW-ROUUACIJSA-N 2 2 332.469 2.008 10 0 EEAELP OC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000634719897 470286102 /nfs/dbraw/zinc/28/61/02/470286102.db2.gz BBYYZFDESKIIJW-ROUUACIJSA-N 2 2 332.469 2.008 10 0 EEAELP c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@@H]4C[NH2+]CC[C@H]43)c12 ZINC000634812462 470324464 /nfs/dbraw/zinc/32/44/64/470324464.db2.gz ITXTYECZRMMNHT-RHSMWYFYSA-N 2 2 334.427 2.394 10 0 EEAELP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)cc1 ZINC000648901925 470387894 /nfs/dbraw/zinc/38/78/94/470387894.db2.gz PAGTZXHKBNPMMK-UHFFFAOYSA-N 2 2 341.459 2.359 10 0 EEAELP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)cc1 ZINC000648901925 470387895 /nfs/dbraw/zinc/38/78/95/470387895.db2.gz PAGTZXHKBNPMMK-UHFFFAOYSA-N 2 2 341.459 2.359 10 0 EEAELP O=S1(=O)CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634979144 470390792 /nfs/dbraw/zinc/39/07/92/470390792.db2.gz WOFDURLKBHCMNA-QZTJIDSGSA-N 2 2 336.501 2.065 10 0 EEAELP O=S1(=O)CCC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634979144 470390796 /nfs/dbraw/zinc/39/07/96/470390796.db2.gz WOFDURLKBHCMNA-QZTJIDSGSA-N 2 2 336.501 2.065 10 0 EEAELP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3NCC[NH+]2CCSCC2)cc1 ZINC000643883307 470810761 /nfs/dbraw/zinc/81/07/61/470810761.db2.gz NJTRWFXUGXVHKW-DFNIBXOVSA-N 2 2 331.529 2.145 10 0 EEAELP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3NCC[NH+]2CCSCC2)cc1 ZINC000643883307 470810763 /nfs/dbraw/zinc/81/07/63/470810763.db2.gz NJTRWFXUGXVHKW-DFNIBXOVSA-N 2 2 331.529 2.145 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000647179424 470851196 /nfs/dbraw/zinc/85/11/96/470851196.db2.gz YZHZKJDUACJLNY-KRWDZBQOSA-N 2 2 326.444 2.139 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000647179424 470851198 /nfs/dbraw/zinc/85/11/98/470851198.db2.gz YZHZKJDUACJLNY-KRWDZBQOSA-N 2 2 326.444 2.139 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000644548266 470979481 /nfs/dbraw/zinc/97/94/81/470979481.db2.gz XMBAPTJJQWIKJS-QWHCGFSZSA-N 2 2 332.366 2.129 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000644548266 470979488 /nfs/dbraw/zinc/97/94/88/470979488.db2.gz XMBAPTJJQWIKJS-QWHCGFSZSA-N 2 2 332.366 2.129 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957124 471027246 /nfs/dbraw/zinc/02/72/46/471027246.db2.gz SMBSHKVWLWKGDJ-HKUYNNGSSA-N 2 2 331.460 2.488 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957124 471027250 /nfs/dbraw/zinc/02/72/50/471027250.db2.gz SMBSHKVWLWKGDJ-HKUYNNGSSA-N 2 2 331.460 2.488 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957013 471027478 /nfs/dbraw/zinc/02/74/78/471027478.db2.gz CDLFSHPPFZLAAL-KBXCAEBGSA-N 2 2 333.501 2.097 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957013 471027481 /nfs/dbraw/zinc/02/74/81/471027481.db2.gz CDLFSHPPFZLAAL-KBXCAEBGSA-N 2 2 333.501 2.097 10 0 EEAELP c1cc(C[NH2+]CCC[C@@H]2CCO2)cc(OCC[NH+]2CCOCC2)c1 ZINC000638440013 471096466 /nfs/dbraw/zinc/09/64/66/471096466.db2.gz IMDCJLYNNFINBM-GOSISDBHSA-N 2 2 334.460 2.056 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCCc1cn2c(cccc2C)[nH+]1 ZINC000645160756 471157765 /nfs/dbraw/zinc/15/77/65/471157765.db2.gz ZGURYIBDEFMKOV-OAHLLOKOSA-N 2 2 331.464 2.215 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1OCc2ccccc21 ZINC000654781834 471175132 /nfs/dbraw/zinc/17/51/32/471175132.db2.gz WDQIEVTXGCQHBP-IBGZPJMESA-N 2 2 345.487 2.132 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H]1OCc2ccccc21 ZINC000654781834 471175136 /nfs/dbraw/zinc/17/51/36/471175136.db2.gz WDQIEVTXGCQHBP-IBGZPJMESA-N 2 2 345.487 2.132 10 0 EEAELP CC(C)[C@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000645248264 471190836 /nfs/dbraw/zinc/19/08/36/471190836.db2.gz XBKUQZZOCKQKKG-VQTJNVASSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000645248264 471190839 /nfs/dbraw/zinc/19/08/39/471190839.db2.gz XBKUQZZOCKQKKG-VQTJNVASSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000645248264 471190842 /nfs/dbraw/zinc/19/08/42/471190842.db2.gz XBKUQZZOCKQKKG-VQTJNVASSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000645248264 471190845 /nfs/dbraw/zinc/19/08/45/471190845.db2.gz XBKUQZZOCKQKKG-VQTJNVASSA-N 2 2 334.504 2.210 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000655054989 471258678 /nfs/dbraw/zinc/25/86/78/471258678.db2.gz VUSNSNHUNPHZOE-CVEARBPZSA-N 2 2 330.476 2.267 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000655054989 471258680 /nfs/dbraw/zinc/25/86/80/471258680.db2.gz VUSNSNHUNPHZOE-CVEARBPZSA-N 2 2 330.476 2.267 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)[C@H]2CCC[C@H]21 ZINC000658200160 471276212 /nfs/dbraw/zinc/27/62/12/471276212.db2.gz JYRGPEPLMPLDGV-OWCLPIDISA-N 2 2 328.522 2.196 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)[C@H]2CCC[C@H]21 ZINC000658200160 471276214 /nfs/dbraw/zinc/27/62/14/471276214.db2.gz JYRGPEPLMPLDGV-OWCLPIDISA-N 2 2 328.522 2.196 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000658200162 471276255 /nfs/dbraw/zinc/27/62/55/471276255.db2.gz JYRGPEPLMPLDGV-PMPSAXMXSA-N 2 2 328.522 2.196 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000658200162 471276258 /nfs/dbraw/zinc/27/62/58/471276258.db2.gz JYRGPEPLMPLDGV-PMPSAXMXSA-N 2 2 328.522 2.196 10 0 EEAELP CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000658299457 471286713 /nfs/dbraw/zinc/28/67/13/471286713.db2.gz BDBGONHMIOEUPN-AWEZNQCLSA-N 2 2 333.457 2.490 10 0 EEAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658343350 471290880 /nfs/dbraw/zinc/29/08/80/471290880.db2.gz QOJLUJUGKBKHGN-UYAOXDASSA-N 2 2 341.503 2.068 10 0 EEAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658343350 471290882 /nfs/dbraw/zinc/29/08/82/471290882.db2.gz QOJLUJUGKBKHGN-UYAOXDASSA-N 2 2 341.503 2.068 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1[nH+]ccn1C ZINC000663443639 471380077 /nfs/dbraw/zinc/38/00/77/471380077.db2.gz HGYBYNDQGSDIQC-DOMZBBRYSA-N 2 2 333.411 2.222 10 0 EEAELP Cc1c(NCC2CC[NH+](C)CC2)nc[nH+]c1NCC1CC[NH+](C)CC1 ZINC000663521644 471410414 /nfs/dbraw/zinc/41/04/14/471410414.db2.gz WKOBHSIJYUMKJJ-UHFFFAOYSA-N 3 2 346.523 2.292 10 0 EEAELP COc1c(C)[nH+]c(C2CC2)nc1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664012458 471608193 /nfs/dbraw/zinc/60/81/93/471608193.db2.gz ZIQMSNIWEXPXEJ-UHFFFAOYSA-N 2 2 346.475 2.362 10 0 EEAELP COc1c(C)[nH+]c(C2CC2)nc1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664012458 471608199 /nfs/dbraw/zinc/60/81/99/471608199.db2.gz ZIQMSNIWEXPXEJ-UHFFFAOYSA-N 2 2 346.475 2.362 10 0 EEAELP Cc1nc2[nH]ccc2c(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH+]1 ZINC000664240553 471692273 /nfs/dbraw/zinc/69/22/73/471692273.db2.gz ZEQXGCSLGLTXHR-INIZCTEOSA-N 2 2 337.427 2.445 10 0 EEAELP Cc1nc2[nH]ccc2c(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH+]1 ZINC000664240553 471692279 /nfs/dbraw/zinc/69/22/79/471692279.db2.gz ZEQXGCSLGLTXHR-INIZCTEOSA-N 2 2 337.427 2.445 10 0 EEAELP C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661471068 471768397 /nfs/dbraw/zinc/76/83/97/471768397.db2.gz XHASLGXCMBFURW-SJLPKXTDSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661471068 471768401 /nfs/dbraw/zinc/76/84/01/471768401.db2.gz XHASLGXCMBFURW-SJLPKXTDSA-N 2 2 345.487 2.049 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000667592956 471835568 /nfs/dbraw/zinc/83/55/68/471835568.db2.gz LQRVUMTYMKZTSH-UHFFFAOYSA-N 2 2 342.487 2.462 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000660305587 471935604 /nfs/dbraw/zinc/93/56/04/471935604.db2.gz NINPHPCYQOHDFS-MRXNPFEDSA-N 2 2 345.491 2.354 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000660305587 471935608 /nfs/dbraw/zinc/93/56/08/471935608.db2.gz NINPHPCYQOHDFS-MRXNPFEDSA-N 2 2 345.491 2.354 10 0 EEAELP C[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[N@@H+](C)C3)c2C1 ZINC000667950249 471959689 /nfs/dbraw/zinc/95/96/89/471959689.db2.gz MZIJVPNYMLKIAW-AWEZNQCLSA-N 2 2 338.455 2.047 10 0 EEAELP C[NH+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[N@H+](C)C3)c2C1 ZINC000667950249 471959690 /nfs/dbraw/zinc/95/96/90/471959690.db2.gz MZIJVPNYMLKIAW-AWEZNQCLSA-N 2 2 338.455 2.047 10 0 EEAELP C[NH+]1CCC[C@H](NC(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)C1 ZINC000667950249 471959692 /nfs/dbraw/zinc/95/96/92/471959692.db2.gz MZIJVPNYMLKIAW-AWEZNQCLSA-N 2 2 338.455 2.047 10 0 EEAELP C[NH+]1CCC[C@H](NC(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)C1 ZINC000667950249 471959693 /nfs/dbraw/zinc/95/96/93/471959693.db2.gz MZIJVPNYMLKIAW-AWEZNQCLSA-N 2 2 338.455 2.047 10 0 EEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@H]4COC[C@@H]4C3)C2)cc1 ZINC000662034184 471966415 /nfs/dbraw/zinc/96/64/15/471966415.db2.gz MZJAPATXYLFSLV-AABGKKOBSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@H]4COC[C@@H]4C3)C2)cc1 ZINC000662034184 471966420 /nfs/dbraw/zinc/96/64/20/471966420.db2.gz MZJAPATXYLFSLV-AABGKKOBSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)C2)cc1 ZINC000662034184 471966423 /nfs/dbraw/zinc/96/64/23/471966423.db2.gz MZJAPATXYLFSLV-AABGKKOBSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@H]4COC[C@@H]4C3)C2)cc1 ZINC000662034184 471966426 /nfs/dbraw/zinc/96/64/26/471966426.db2.gz MZJAPATXYLFSLV-AABGKKOBSA-N 2 2 330.472 2.246 10 0 EEAELP COc1ccccc1-c1cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)on1 ZINC000665298887 471994730 /nfs/dbraw/zinc/99/47/30/471994730.db2.gz BUSHIQZVPCTNAI-UONOGXRCSA-N 2 2 331.416 2.207 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCOCC2)O1 ZINC000668088227 472004102 /nfs/dbraw/zinc/00/41/02/472004102.db2.gz WNQFXVYHDLUOAW-OAHLLOKOSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCOCC2)O1 ZINC000668088227 472004106 /nfs/dbraw/zinc/00/41/06/472004106.db2.gz WNQFXVYHDLUOAW-OAHLLOKOSA-N 2 2 328.416 2.037 10 0 EEAELP CC(C)(C[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(N)=O ZINC000668205664 472046917 /nfs/dbraw/zinc/04/69/17/472046917.db2.gz UVXVZFPKDRWFEQ-HNNXBMFYSA-N 2 2 341.459 2.381 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000662315442 472066358 /nfs/dbraw/zinc/06/63/58/472066358.db2.gz FTTYLNZNVPDLQM-MRXNPFEDSA-N 2 2 328.412 2.338 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000662315442 472066363 /nfs/dbraw/zinc/06/63/63/472066363.db2.gz FTTYLNZNVPDLQM-MRXNPFEDSA-N 2 2 328.412 2.338 10 0 EEAELP CN(CC1CCCCC1)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322351 472069838 /nfs/dbraw/zinc/06/98/38/472069838.db2.gz VIXXCMZPLZXDDY-SFHVURJKSA-N 2 2 339.524 2.068 10 0 EEAELP CN(CC1CCCCC1)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322351 472069845 /nfs/dbraw/zinc/06/98/45/472069845.db2.gz VIXXCMZPLZXDDY-SFHVURJKSA-N 2 2 339.524 2.068 10 0 EEAELP COc1cc2c(c(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)c1)O[C@H](C)C2 ZINC000668739735 472248227 /nfs/dbraw/zinc/24/82/27/472248227.db2.gz BWDBMMOPDRTGEZ-KDOFPFPSSA-N 2 2 346.471 2.050 10 0 EEAELP COc1cc2c(c(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)c1)O[C@H](C)C2 ZINC000668739735 472248236 /nfs/dbraw/zinc/24/82/36/472248236.db2.gz BWDBMMOPDRTGEZ-KDOFPFPSSA-N 2 2 346.471 2.050 10 0 EEAELP Cn1ccc2c1cccc2NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665950228 472248240 /nfs/dbraw/zinc/24/82/40/472248240.db2.gz IQYUZDOBQDYZKL-UHFFFAOYSA-N 2 2 331.464 2.183 10 0 EEAELP Cn1ccc2c1cccc2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665950228 472248251 /nfs/dbraw/zinc/24/82/51/472248251.db2.gz IQYUZDOBQDYZKL-UHFFFAOYSA-N 2 2 331.464 2.183 10 0 EEAELP CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000668741361 472249155 /nfs/dbraw/zinc/24/91/55/472249155.db2.gz QNAZTEVKCBROBO-QGZVFWFLSA-N 2 2 334.460 2.125 10 0 EEAELP CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000668741361 472249157 /nfs/dbraw/zinc/24/91/57/472249157.db2.gz QNAZTEVKCBROBO-QGZVFWFLSA-N 2 2 334.460 2.125 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C ZINC000662825685 472268878 /nfs/dbraw/zinc/26/88/78/472268878.db2.gz LOKWRSUSFMVOKQ-HFTRVMKXSA-N 2 2 332.492 2.057 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C ZINC000662825685 472268884 /nfs/dbraw/zinc/26/88/84/472268884.db2.gz LOKWRSUSFMVOKQ-HFTRVMKXSA-N 2 2 332.492 2.057 10 0 EEAELP Fc1ccc([C@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C2CC2)cc1 ZINC000678685522 485479911 /nfs/dbraw/zinc/47/99/11/485479911.db2.gz IIPCLZFZPKUDRD-WOJBJXKFSA-N 2 2 347.478 2.273 10 0 EEAELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCC(c3ccccc3)=N1)C2 ZINC000660655244 485590091 /nfs/dbraw/zinc/59/00/91/485590091.db2.gz LCANAQYZRLDZGY-FQEVSTJZSA-N 2 2 340.471 2.041 10 0 EEAELP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCC(c3ccccc3)=N1)C2 ZINC000660655244 485590099 /nfs/dbraw/zinc/59/00/99/485590099.db2.gz LCANAQYZRLDZGY-FQEVSTJZSA-N 2 2 340.471 2.041 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCC(c3ccccc3)=N1)C2 ZINC000660655244 485590104 /nfs/dbraw/zinc/59/01/04/485590104.db2.gz LCANAQYZRLDZGY-FQEVSTJZSA-N 2 2 340.471 2.041 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCC(c3ccccc3)=N1)C2 ZINC000660655244 485590111 /nfs/dbraw/zinc/59/01/11/485590111.db2.gz LCANAQYZRLDZGY-FQEVSTJZSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000679577291 485739993 /nfs/dbraw/zinc/73/99/93/485739993.db2.gz PJZWUPHGBGCCQP-DFQSSKMNSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000679577291 485739999 /nfs/dbraw/zinc/73/99/99/485739999.db2.gz PJZWUPHGBGCCQP-DFQSSKMNSA-N 2 2 332.488 2.418 10 0 EEAELP CO[C@H]1C[N@H+](CCOc2ccc(Br)cc2)[C@](C)(C[NH3+])C1 ZINC000630360738 485752037 /nfs/dbraw/zinc/75/20/37/485752037.db2.gz KKSAYTNTTNRYEC-CABCVRRESA-N 2 2 343.265 2.266 10 0 EEAELP CO[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)[C@](C)(C[NH3+])C1 ZINC000630360738 485752039 /nfs/dbraw/zinc/75/20/39/485752039.db2.gz KKSAYTNTTNRYEC-CABCVRRESA-N 2 2 343.265 2.266 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000684181834 485792048 /nfs/dbraw/zinc/79/20/48/485792048.db2.gz IKWVQKVOUOUCAE-IAGOWNOFSA-N 2 2 328.391 2.131 10 0 EEAELP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000679994250 485865622 /nfs/dbraw/zinc/86/56/22/485865622.db2.gz PTOPMWRHOUNMEN-ROUUACIJSA-N 2 2 338.455 2.497 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000680913959 486084316 /nfs/dbraw/zinc/08/43/16/486084316.db2.gz IMDBHQGAPDCBKF-GDBMZVCRSA-N 2 2 336.505 2.231 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000680913959 486084324 /nfs/dbraw/zinc/08/43/24/486084324.db2.gz IMDBHQGAPDCBKF-GDBMZVCRSA-N 2 2 336.505 2.231 10 0 EEAELP Cc1nc(N2CCC(C[NH+]3CCCCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000676077931 486133706 /nfs/dbraw/zinc/13/37/06/486133706.db2.gz RTORDFQNPGDPNJ-UHFFFAOYSA-N 2 2 332.496 2.338 10 0 EEAELP Cc1nc(N(C)C)nc(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000676077931 486133710 /nfs/dbraw/zinc/13/37/10/486133710.db2.gz RTORDFQNPGDPNJ-UHFFFAOYSA-N 2 2 332.496 2.338 10 0 EEAELP CN(C(=O)NCCC1(F)CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673196385 486292329 /nfs/dbraw/zinc/29/23/29/486292329.db2.gz FZRFQIPSLMZYGX-INIZCTEOSA-N 2 2 340.487 2.079 10 0 EEAELP CN(C(=O)NCCC1(F)CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673196385 486292334 /nfs/dbraw/zinc/29/23/34/486292334.db2.gz FZRFQIPSLMZYGX-INIZCTEOSA-N 2 2 340.487 2.079 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC/C=C/c3ccccc3)C2)CC1 ZINC000734278830 577286636 /nfs/dbraw/zinc/28/66/36/577286636.db2.gz ZEGOEXLACVYIPB-KRZKXXONSA-N 2 2 342.487 2.168 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC/C=C/c3ccccc3)C2)CC1 ZINC000734278830 577286638 /nfs/dbraw/zinc/28/66/38/577286638.db2.gz ZEGOEXLACVYIPB-KRZKXXONSA-N 2 2 342.487 2.168 10 0 EEAELP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OC)n1 ZINC000924900271 681336603 /nfs/dbraw/zinc/33/66/03/681336603.db2.gz BTCKQYMGHGPGOJ-DOTOQJQBSA-N 2 2 348.491 2.074 10 0 EEAELP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OC)n1 ZINC000924900271 681336606 /nfs/dbraw/zinc/33/66/06/681336606.db2.gz BTCKQYMGHGPGOJ-DOTOQJQBSA-N 2 2 348.491 2.074 10 0 EEAELP COCCn1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC000895110484 683938969 /nfs/dbraw/zinc/93/89/69/683938969.db2.gz MZQNYCYXJRIXHZ-QAQDUYKDSA-N 2 2 329.448 2.201 10 0 EEAELP CCOC(=O)c1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)[nH]1 ZINC000895557715 684641632 /nfs/dbraw/zinc/64/16/32/684641632.db2.gz QPLWWBFOQPIJKX-CQSZACIVSA-N 2 2 328.416 2.297 10 0 EEAELP CCOC(=O)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)[nH]1 ZINC000895557715 684641636 /nfs/dbraw/zinc/64/16/36/684641636.db2.gz QPLWWBFOQPIJKX-CQSZACIVSA-N 2 2 328.416 2.297 10 0 EEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC([NH+]2CCCC2)C1 ZINC000898612669 693395385 /nfs/dbraw/zinc/39/53/85/693395385.db2.gz KUGCFVJAUBZUIM-GOSISDBHSA-N 2 2 345.512 2.083 10 0 EEAELP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC000898910860 693523961 /nfs/dbraw/zinc/52/39/61/693523961.db2.gz ZERNIYCMWGFAKA-QGZVFWFLSA-N 2 2 344.459 2.482 10 0 EEAELP C[C@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](Cc2cncc(F)c2)C1 ZINC001485538426 1191827858 /nfs/dbraw/zinc/82/78/58/1191827858.db2.gz BXPADIJIMPDUBQ-HNNXBMFYSA-N 2 2 348.466 2.033 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccc(Cl)cc2)C1 ZINC001485539360 1191828262 /nfs/dbraw/zinc/82/82/62/1191828262.db2.gz OBNXQMDEQCWHSN-CYBMUJFWSA-N 2 2 332.835 2.173 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cc1c[nH+]cn1C ZINC001485744600 1191919563 /nfs/dbraw/zinc/91/95/63/1191919563.db2.gz MEMSZARFFQTMEC-CYBMUJFWSA-N 2 2 349.866 2.086 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(C(F)F)c1)C(=O)Cn1cc[nH+]c1 ZINC001670365655 1176468107 /nfs/dbraw/zinc/46/81/07/1176468107.db2.gz YHAVNKWUATYBSP-UHFFFAOYSA-N 2 2 336.386 2.459 10 0 EEAELP O=C(NC[C@H]1CC[N@@H+](CCCCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266520020 1176721863 /nfs/dbraw/zinc/72/18/63/1176721863.db2.gz DLOKNVKCECVQNE-HZPDHXFCSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(NC[C@H]1CC[N@H+](CCCCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266520020 1176721872 /nfs/dbraw/zinc/72/18/72/1176721872.db2.gz DLOKNVKCECVQNE-HZPDHXFCSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2Cl)C1 ZINC001266622463 1177018372 /nfs/dbraw/zinc/01/83/72/1177018372.db2.gz FKZJTLNMRQETRQ-SHTZXODSSA-N 2 2 346.862 2.475 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C1)c1cccc2[nH+]ccn21 ZINC001266699249 1177222716 /nfs/dbraw/zinc/22/27/16/1177222716.db2.gz SIYJZRTXXGVBBV-IYBDPMFKSA-N 2 2 342.443 2.001 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691103570 1177581197 /nfs/dbraw/zinc/58/11/97/1177581197.db2.gz IQZJDKIAPHXEIC-YESZJQIVSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001266870893 1177660428 /nfs/dbraw/zinc/66/04/28/1177660428.db2.gz VQVVIIOCGVNKHM-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001266870893 1177660431 /nfs/dbraw/zinc/66/04/31/1177660431.db2.gz VQVVIIOCGVNKHM-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)Cc1c[nH+]ccc1OC ZINC001691360317 1177969774 /nfs/dbraw/zinc/96/97/74/1177969774.db2.gz VLKJKXYCFMRKSF-UHFFFAOYSA-N 2 2 341.455 2.443 10 0 EEAELP CN(CC[NH2+]CC1CC(C)(C)C1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267375636 1178905503 /nfs/dbraw/zinc/90/55/03/1178905503.db2.gz PBMNSYQDGCMKOI-UHFFFAOYSA-N 2 2 332.492 2.246 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001267395496 1178966226 /nfs/dbraw/zinc/96/62/26/1178966226.db2.gz SHAQGZULENHZRZ-UHFFFAOYSA-N 2 2 348.422 2.046 10 0 EEAELP CN(CC[NH2+]CCc1ccccc1F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001267456315 1179038375 /nfs/dbraw/zinc/03/83/75/1179038375.db2.gz SUFQZVPPCHJSPL-UHFFFAOYSA-N 2 2 332.423 2.117 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC001481246757 1180441007 /nfs/dbraw/zinc/44/10/07/1180441007.db2.gz YXZHWZUSDIZCJS-IXDOHACOSA-N 2 2 332.492 2.411 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001267958084 1180839752 /nfs/dbraw/zinc/83/97/52/1180839752.db2.gz DLUXUERZVHTCAV-IAGOWNOFSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1)[NH+]1CCCCCC1 ZINC001481287999 1180871315 /nfs/dbraw/zinc/87/13/15/1180871315.db2.gz RIZZMAKHHSALMA-HNNXBMFYSA-N 2 2 348.491 2.365 10 0 EEAELP CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001481400500 1181216090 /nfs/dbraw/zinc/21/60/90/1181216090.db2.gz HGVCOODKXFEBCT-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001481400500 1181216095 /nfs/dbraw/zinc/21/60/95/1181216095.db2.gz HGVCOODKXFEBCT-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001481411733 1181252114 /nfs/dbraw/zinc/25/21/14/1181252114.db2.gz IFTJCQCYVVQJQS-IRXDYDNUSA-N 2 2 348.491 2.453 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001481411733 1181252118 /nfs/dbraw/zinc/25/21/18/1181252118.db2.gz IFTJCQCYVVQJQS-IRXDYDNUSA-N 2 2 348.491 2.453 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2cccnc2)c[nH+]1 ZINC001268375139 1182385559 /nfs/dbraw/zinc/38/55/59/1182385559.db2.gz NDUHSWLEAPKBEM-CQSZACIVSA-N 2 2 329.448 2.006 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001268382988 1182414324 /nfs/dbraw/zinc/41/43/24/1182414324.db2.gz GUXWMOWWKRSOGP-HNNXBMFYSA-N 2 2 332.423 2.405 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)oc1C ZINC001268407806 1182530031 /nfs/dbraw/zinc/53/00/31/1182530031.db2.gz VRRFXJOPVRVPSD-CHWSQXEVSA-N 2 2 333.436 2.124 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001481752551 1182550545 /nfs/dbraw/zinc/55/05/45/1182550545.db2.gz DVQCMAIKZASJMW-WMZOPIPTSA-N 2 2 348.491 2.136 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001481752551 1182550555 /nfs/dbraw/zinc/55/05/55/1182550555.db2.gz DVQCMAIKZASJMW-WMZOPIPTSA-N 2 2 348.491 2.136 10 0 EEAELP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481754323 1182554835 /nfs/dbraw/zinc/55/48/35/1182554835.db2.gz MPMAZWANLNVZHS-LJQANCHMSA-N 2 2 340.471 2.439 10 0 EEAELP CN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC001481754323 1182554844 /nfs/dbraw/zinc/55/48/44/1182554844.db2.gz MPMAZWANLNVZHS-LJQANCHMSA-N 2 2 340.471 2.439 10 0 EEAELP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)Cc1c[nH+]c[nH]1 ZINC001268484140 1182946989 /nfs/dbraw/zinc/94/69/89/1182946989.db2.gz MZSBHFYMXVPMSZ-UHFFFAOYSA-N 2 2 326.444 2.079 10 0 EEAELP CO[C@@H](C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)C1CCCC1 ZINC001482027419 1183156720 /nfs/dbraw/zinc/15/67/20/1183156720.db2.gz CNFOERNESHZBIG-BZSNNMDCSA-N 2 2 348.491 2.105 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c2ncc(C)o2)CC[N@@H+]1C ZINC001268542909 1183214611 /nfs/dbraw/zinc/21/46/11/1183214611.db2.gz SFENIWJPTQOORT-YMBKRIDGSA-N 2 2 334.464 2.036 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c2ncc(C)o2)CC[N@H+]1C ZINC001268542909 1183214615 /nfs/dbraw/zinc/21/46/15/1183214615.db2.gz SFENIWJPTQOORT-YMBKRIDGSA-N 2 2 334.464 2.036 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001482174762 1183510019 /nfs/dbraw/zinc/51/00/19/1183510019.db2.gz IQCAQQXXQYQDPX-YVEFUNNKSA-N 2 2 348.397 2.191 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001268620439 1183538581 /nfs/dbraw/zinc/53/85/81/1183538581.db2.gz WXIHIVQXPCPKRE-ZZKXABKFSA-N 2 2 345.274 2.107 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC001269286721 1184140215 /nfs/dbraw/zinc/14/02/15/1184140215.db2.gz AWYNOGRRAJYXMY-MRXNPFEDSA-N 2 2 348.491 2.037 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC001269286721 1184140217 /nfs/dbraw/zinc/14/02/17/1184140217.db2.gz AWYNOGRRAJYXMY-MRXNPFEDSA-N 2 2 348.491 2.037 10 0 EEAELP CC[C@H](F)C[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCC1 ZINC001482222516 1184298658 /nfs/dbraw/zinc/29/86/58/1184298658.db2.gz NDQJJGZZIHCMGG-HNNXBMFYSA-N 2 2 337.439 2.399 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)sn1 ZINC001269771058 1184610655 /nfs/dbraw/zinc/61/06/55/1184610655.db2.gz WKYSHVVUIVTCIQ-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691506731 1185018650 /nfs/dbraw/zinc/01/86/50/1185018650.db2.gz WKLVHWUERAWJCB-KRJKFKNKSA-N 2 2 330.476 2.286 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001482296624 1185166217 /nfs/dbraw/zinc/16/62/17/1185166217.db2.gz KVQYTMWCVVBUFK-KBRIMQKVSA-N 2 2 342.443 2.159 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001482296624 1185166219 /nfs/dbraw/zinc/16/62/19/1185166219.db2.gz KVQYTMWCVVBUFK-KBRIMQKVSA-N 2 2 342.443 2.159 10 0 EEAELP Cc1conc1C[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482299986 1185199633 /nfs/dbraw/zinc/19/96/33/1185199633.db2.gz WMGUTPWEVWRFRG-GFCCVEGCSA-N 2 2 327.388 2.110 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001482301195 1185212843 /nfs/dbraw/zinc/21/28/43/1185212843.db2.gz KBKBDZWSZGTKEI-CZUORRHYSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001422562075 1185238130 /nfs/dbraw/zinc/23/81/30/1185238130.db2.gz NDPDSFXCMNSJSN-CHWSQXEVSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001422562075 1185238135 /nfs/dbraw/zinc/23/81/35/1185238135.db2.gz NDPDSFXCMNSJSN-CHWSQXEVSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]2CC[C@@H](C)C2)c(C)s1 ZINC001422562075 1185238138 /nfs/dbraw/zinc/23/81/38/1185238138.db2.gz NDPDSFXCMNSJSN-CHWSQXEVSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@H+](C)[C@H](C)CNC(=O)C[NH+]2CC[C@@H](C)C2)c(C)s1 ZINC001422562075 1185238141 /nfs/dbraw/zinc/23/81/41/1185238141.db2.gz NDPDSFXCMNSJSN-CHWSQXEVSA-N 2 2 338.521 2.038 10 0 EEAELP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C ZINC001691508373 1185361966 /nfs/dbraw/zinc/36/19/66/1185361966.db2.gz MBIDIROQUOEDBX-AWEZNQCLSA-N 2 2 344.459 2.154 10 0 EEAELP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C ZINC001691508373 1185361970 /nfs/dbraw/zinc/36/19/70/1185361970.db2.gz MBIDIROQUOEDBX-AWEZNQCLSA-N 2 2 344.459 2.154 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001271154146 1185978088 /nfs/dbraw/zinc/97/80/88/1185978088.db2.gz BSRDPRYOBFAGEG-MRXNPFEDSA-N 2 2 328.460 2.330 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCC[C@H]1CC[NH2+]CC1CC1 ZINC001271552190 1186305674 /nfs/dbraw/zinc/30/56/74/1186305674.db2.gz PLMDMVNJPCHXDC-SJORKVTESA-N 2 2 330.476 2.216 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCC(F)(F)F ZINC001482537658 1186591729 /nfs/dbraw/zinc/59/17/29/1186591729.db2.gz FQZDZNDRNHQUPT-QWHCGFSZSA-N 2 2 346.397 2.128 10 0 EEAELP CN(CC[N@H+](C)Cc1ccns1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001482606452 1187360371 /nfs/dbraw/zinc/36/03/71/1187360371.db2.gz PTYWCXUKKAYSFM-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccns1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001482606452 1187360374 /nfs/dbraw/zinc/36/03/74/1187360374.db2.gz PTYWCXUKKAYSFM-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1ccns1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001482606452 1187360378 /nfs/dbraw/zinc/36/03/78/1187360378.db2.gz PTYWCXUKKAYSFM-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1ccns1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001482606452 1187360380 /nfs/dbraw/zinc/36/03/80/1187360380.db2.gz PTYWCXUKKAYSFM-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001409264254 1188234226 /nfs/dbraw/zinc/23/42/26/1188234226.db2.gz GTNBSIOJJWAVOM-UHFFFAOYSA-N 2 2 348.397 2.305 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001409264254 1188234231 /nfs/dbraw/zinc/23/42/31/1188234231.db2.gz GTNBSIOJJWAVOM-UHFFFAOYSA-N 2 2 348.397 2.305 10 0 EEAELP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)CCc1c[nH+]cn1C ZINC001691580566 1188278536 /nfs/dbraw/zinc/27/85/36/1188278536.db2.gz BHDZMIBTYVRVEK-UHFFFAOYSA-N 2 2 348.878 2.297 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)on1)c1ccccc1 ZINC001483184232 1189056180 /nfs/dbraw/zinc/05/61/80/1189056180.db2.gz HSYLTLHDOGMORJ-RDTXWAMCSA-N 2 2 344.459 2.270 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)on1)c1ccccc1 ZINC001483184232 1189056181 /nfs/dbraw/zinc/05/61/81/1189056181.db2.gz HSYLTLHDOGMORJ-RDTXWAMCSA-N 2 2 344.459 2.270 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001409444539 1189686787 /nfs/dbraw/zinc/68/67/87/1189686787.db2.gz CKRUNRDUWPCPRL-VXGBXAGGSA-N 2 2 338.814 2.359 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001409593570 1190083721 /nfs/dbraw/zinc/08/37/21/1190083721.db2.gz YDTSOLAUYYHCSM-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001409593570 1190083725 /nfs/dbraw/zinc/08/37/25/1190083725.db2.gz YDTSOLAUYYHCSM-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccns1 ZINC001409644790 1190140693 /nfs/dbraw/zinc/14/06/93/1190140693.db2.gz SOCLYOSSCNGRGD-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccns1 ZINC001409644790 1190140695 /nfs/dbraw/zinc/14/06/95/1190140695.db2.gz SOCLYOSSCNGRGD-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1ccns1 ZINC001409644790 1190140697 /nfs/dbraw/zinc/14/06/97/1190140697.db2.gz SOCLYOSSCNGRGD-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1ccns1 ZINC001409644790 1190140699 /nfs/dbraw/zinc/14/06/99/1190140699.db2.gz SOCLYOSSCNGRGD-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@@H+](C)CCOCC(C)C)ccn12 ZINC001483338178 1190368107 /nfs/dbraw/zinc/36/81/07/1190368107.db2.gz BYPNNFYDPNGUIS-OAHLLOKOSA-N 2 2 346.475 2.365 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[N@H+](C)CCOCC(C)C)ccn12 ZINC001483338178 1190368112 /nfs/dbraw/zinc/36/81/12/1190368112.db2.gz BYPNNFYDPNGUIS-OAHLLOKOSA-N 2 2 346.475 2.365 10 0 EEAELP C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483356372 1190394755 /nfs/dbraw/zinc/39/47/55/1190394755.db2.gz LXYNQSPPKYMWMG-WBVHZDCISA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483356372 1190394757 /nfs/dbraw/zinc/39/47/57/1190394757.db2.gz LXYNQSPPKYMWMG-WBVHZDCISA-N 2 2 344.503 2.462 10 0 EEAELP Cc1csc(C[NH2+]CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001483494757 1190509448 /nfs/dbraw/zinc/50/94/48/1190509448.db2.gz RUOHUQHVAIDHCS-AWEZNQCLSA-N 2 2 335.477 2.237 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1nccs1)[NH+](C)C ZINC001409823750 1190654839 /nfs/dbraw/zinc/65/48/39/1190654839.db2.gz LUHAREFYQZYCED-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1nccs1)[NH+](C)C ZINC001409823750 1190654841 /nfs/dbraw/zinc/65/48/41/1190654841.db2.gz LUHAREFYQZYCED-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCCOc2ccccc2)C1 ZINC001483875155 1191103758 /nfs/dbraw/zinc/10/37/58/1191103758.db2.gz MDOKBNGQHSHVBE-IBGZPJMESA-N 2 2 345.487 2.082 10 0 EEAELP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCCOc2ccccc2)C1 ZINC001483875155 1191103760 /nfs/dbraw/zinc/10/37/60/1191103760.db2.gz MDOKBNGQHSHVBE-IBGZPJMESA-N 2 2 345.487 2.082 10 0 EEAELP C[C@H](CC(=O)N(C)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001483881288 1191105384 /nfs/dbraw/zinc/10/53/84/1191105384.db2.gz DWENUYHMHHUZQD-KGLIPLIRSA-N 2 2 340.418 2.412 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001484542829 1191402872 /nfs/dbraw/zinc/40/28/72/1191402872.db2.gz GPYPFEWGXCTMNE-CQSZACIVSA-N 2 2 330.407 2.120 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484538669 1191405043 /nfs/dbraw/zinc/40/50/43/1191405043.db2.gz FPEFKIAGLOSMIG-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)sc1C ZINC001484540906 1191405978 /nfs/dbraw/zinc/40/59/78/1191405978.db2.gz ZKOKSJKMFLSZTR-CQSZACIVSA-N 2 2 347.488 2.054 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001484680526 1191465043 /nfs/dbraw/zinc/46/50/43/1191465043.db2.gz NNBQXDXBCUHDQZ-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484889815 1191563092 /nfs/dbraw/zinc/56/30/92/1191563092.db2.gz WXALPYVKNPADTO-APWZRJJASA-N 2 2 340.471 2.412 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484889815 1191563093 /nfs/dbraw/zinc/56/30/93/1191563093.db2.gz WXALPYVKNPADTO-APWZRJJASA-N 2 2 340.471 2.412 10 0 EEAELP COCCCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001485011581 1191615550 /nfs/dbraw/zinc/61/55/50/1191615550.db2.gz QWYAAGPBQFOLNS-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485202477 1191684162 /nfs/dbraw/zinc/68/41/62/1191684162.db2.gz TWHJDRLLQXZYRQ-JKSUJKDBSA-N 2 2 328.460 2.376 10 0 EEAELP Cc1cc(C[N@@H+]2CC=C(CNC(=O)Cc3c[nH+]cn3C)CC2)cs1 ZINC001486519661 1194039895 /nfs/dbraw/zinc/03/98/95/1194039895.db2.gz WNGHPZBRPAHJHA-UHFFFAOYSA-N 2 2 344.484 2.281 10 0 EEAELP Cc1cc(C[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)c(C)s1 ZINC001409968002 1194974166 /nfs/dbraw/zinc/97/41/66/1194974166.db2.gz JCZWLQANLYPBMH-ZDUSSCGKSA-N 2 2 332.473 2.198 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCCc2ccsc2)CCC1 ZINC001273160941 1197161616 /nfs/dbraw/zinc/16/16/16/1197161616.db2.gz DQGLGXNJGKGCJK-UHFFFAOYSA-N 2 2 332.473 2.275 10 0 EEAELP Cc1nc(C[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)oc1C ZINC001410028756 1197469774 /nfs/dbraw/zinc/46/97/74/1197469774.db2.gz XFIPDFRTSWLYNL-OAHLLOKOSA-N 2 2 348.491 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)oc1C ZINC001410028756 1197469776 /nfs/dbraw/zinc/46/97/76/1197469776.db2.gz XFIPDFRTSWLYNL-OAHLLOKOSA-N 2 2 348.491 2.102 10 0 EEAELP C[C@H](CC[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001273212895 1197560122 /nfs/dbraw/zinc/56/01/22/1197560122.db2.gz VMXNXBTVQSNWNQ-KGLIPLIRSA-N 2 2 328.407 2.193 10 0 EEAELP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001410295968 1197676259 /nfs/dbraw/zinc/67/62/59/1197676259.db2.gz PQUAVZGFODBHDH-ROUUACIJSA-N 2 2 344.503 2.462 10 0 EEAELP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncc(C(C)(C)C)o1)[NH+](C)C ZINC001410398964 1197802360 /nfs/dbraw/zinc/80/23/60/1197802360.db2.gz SVLFBKZCWSKXGR-ZIAGYGMSSA-N 2 2 338.496 2.249 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]C/C(Cl)=C\Cl ZINC001410434208 1197881773 /nfs/dbraw/zinc/88/17/73/1197881773.db2.gz JBWNGXIYMNCFBA-BAWWGRHDSA-N 2 2 345.274 2.279 10 0 EEAELP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)co1 ZINC000872144185 1198053862 /nfs/dbraw/zinc/05/38/62/1198053862.db2.gz XATIBCWWKDSFGX-LBPRGKRZSA-N 2 2 333.354 2.118 10 0 EEAELP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)co1 ZINC000872144185 1198053867 /nfs/dbraw/zinc/05/38/67/1198053867.db2.gz XATIBCWWKDSFGX-LBPRGKRZSA-N 2 2 333.354 2.118 10 0 EEAELP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273427435 1198803499 /nfs/dbraw/zinc/80/34/99/1198803499.db2.gz JEMKLAUHPOWKDL-BRWVUGGUSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273427435 1198803502 /nfs/dbraw/zinc/80/35/02/1198803502.db2.gz JEMKLAUHPOWKDL-BRWVUGGUSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273427435 1198803509 /nfs/dbraw/zinc/80/35/09/1198803509.db2.gz JEMKLAUHPOWKDL-BRWVUGGUSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)COCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273427435 1198803513 /nfs/dbraw/zinc/80/35/13/1198803513.db2.gz JEMKLAUHPOWKDL-BRWVUGGUSA-N 2 2 348.491 2.157 10 0 EEAELP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000866365928 1201501403 /nfs/dbraw/zinc/50/14/03/1201501403.db2.gz ZNOCKRAWNTYDAI-SJLPKXTDSA-N 2 2 326.444 2.404 10 0 EEAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000866704369 1201584662 /nfs/dbraw/zinc/58/46/62/1201584662.db2.gz OASDCZRISOFBPE-KRWDZBQOSA-N 2 2 347.488 2.327 10 0 EEAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000866704369 1201584663 /nfs/dbraw/zinc/58/46/63/1201584663.db2.gz OASDCZRISOFBPE-KRWDZBQOSA-N 2 2 347.488 2.327 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000868695117 1201861182 /nfs/dbraw/zinc/86/11/82/1201861182.db2.gz GMGXFXYUSCQHMO-GOSISDBHSA-N 2 2 335.411 2.320 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000868695117 1201861184 /nfs/dbraw/zinc/86/11/84/1201861184.db2.gz GMGXFXYUSCQHMO-GOSISDBHSA-N 2 2 335.411 2.320 10 0 EEAELP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001275251108 1205290937 /nfs/dbraw/zinc/29/09/37/1205290937.db2.gz OXPVGHGRLVBPJF-YCZKOUEWSA-N 2 2 330.476 2.286 10 0 EEAELP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000924624492 1206005981 /nfs/dbraw/zinc/00/59/81/1206005981.db2.gz CDQGGQXQDSLQPV-MRXNPFEDSA-N 2 2 341.459 2.297 10 0 EEAELP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925097353 1206069465 /nfs/dbraw/zinc/06/94/65/1206069465.db2.gz QHVLIEZZERUQIQ-GUDVDZBRSA-N 2 2 334.460 2.344 10 0 EEAELP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925097353 1206069467 /nfs/dbraw/zinc/06/94/67/1206069467.db2.gz QHVLIEZZERUQIQ-GUDVDZBRSA-N 2 2 334.460 2.344 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@@H]2CC[NH+]2C)C[C@H](C)O1 ZINC000925396699 1206106623 /nfs/dbraw/zinc/10/66/23/1206106623.db2.gz BRTJEDSFNAVNRQ-UXLLHSPISA-N 2 2 346.475 2.121 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@@H]2CC[NH+]2C)C[C@H](C)O1 ZINC000925396699 1206106624 /nfs/dbraw/zinc/10/66/24/1206106624.db2.gz BRTJEDSFNAVNRQ-UXLLHSPISA-N 2 2 346.475 2.121 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC000925396699 1206106625 /nfs/dbraw/zinc/10/66/25/1206106625.db2.gz BRTJEDSFNAVNRQ-UXLLHSPISA-N 2 2 346.475 2.121 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@@H]2CC[N@H+]2C)C[C@H](C)O1 ZINC000925396699 1206106627 /nfs/dbraw/zinc/10/66/27/1206106627.db2.gz BRTJEDSFNAVNRQ-UXLLHSPISA-N 2 2 346.475 2.121 10 0 EEAELP Cc1cn2cc(NC(=O)N3CC[C@H](C(F)(F)F)[C@@H]([NH3+])C3)ccc2[nH+]1 ZINC000926008872 1206181413 /nfs/dbraw/zinc/18/14/13/1206181413.db2.gz JDFPFNMIWUTQND-RYUDHWBXSA-N 2 2 341.337 2.386 10 0 EEAELP Cc1cn2cc(NC(=O)N3CCC4(CO[C@H](C[NH3+])C4)CC3)ccc2[nH+]1 ZINC000926010262 1206181501 /nfs/dbraw/zinc/18/15/01/1206181501.db2.gz WJQXTZZRQGSGAE-HNNXBMFYSA-N 2 2 343.431 2.004 10 0 EEAELP C[NH2+]CCN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(C)C ZINC000926031221 1206183684 /nfs/dbraw/zinc/18/36/84/1206183684.db2.gz XMAVAMBCUBSJSU-UHFFFAOYSA-N 2 2 345.447 2.424 10 0 EEAELP C[C@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)C(F)(F)C(F)(F)F ZINC000929803668 1206503798 /nfs/dbraw/zinc/50/37/98/1206503798.db2.gz MEALMSMEXICIKQ-NSHDSACASA-N 2 2 327.297 2.469 10 0 EEAELP C[C@]12C[NH+](CCN3CCOC3=O)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931215195 1206616717 /nfs/dbraw/zinc/61/67/17/1206616717.db2.gz VCFDQNYGSVIVCL-WOJBJXKFSA-N 2 2 343.471 2.283 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)C1=O ZINC000931310146 1206623477 /nfs/dbraw/zinc/62/34/77/1206623477.db2.gz IMYOICNYVODOSX-PWIZWCRZSA-N 2 2 343.471 2.074 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)COc3ccc4cc[nH]c4c3)C[C@@]2(C)C1 ZINC000931319888 1206624579 /nfs/dbraw/zinc/62/45/79/1206624579.db2.gz ZZRNRAPSUGATRT-NSISKUIASA-N 2 2 343.471 2.181 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)[C@]3(C)C[C@H](O)C[N@H+]3C)c2)[nH+]c1C ZINC000900347509 1234248516 /nfs/dbraw/zinc/24/85/16/1234248516.db2.gz VZSRUAPPENQDJB-YJBOKZPZSA-N 2 2 328.416 2.087 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)c2)[nH+]c1C ZINC000900347509 1234248518 /nfs/dbraw/zinc/24/85/18/1234248518.db2.gz VZSRUAPPENQDJB-YJBOKZPZSA-N 2 2 328.416 2.087 10 0 EEAELP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902879834 1238836701 /nfs/dbraw/zinc/83/67/01/1238836701.db2.gz ZMQZUBGWZDWDJD-HOCLYGCPSA-N 2 2 327.432 2.327 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(-n2ccnc2)c1 ZINC000903005265 1239315727 /nfs/dbraw/zinc/31/57/27/1239315727.db2.gz QDPCLNYQRIWQPZ-APWZRJJASA-N 2 2 328.460 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(-n2ccnc2)c1 ZINC000903005265 1239315740 /nfs/dbraw/zinc/31/57/40/1239315740.db2.gz QDPCLNYQRIWQPZ-APWZRJJASA-N 2 2 328.460 2.370 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903799071 1242007401 /nfs/dbraw/zinc/00/74/01/1242007401.db2.gz QARWQMQWCQOUGP-QFBILLFUSA-N 2 2 329.444 2.421 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903799071 1242007411 /nfs/dbraw/zinc/00/74/11/1242007411.db2.gz QARWQMQWCQOUGP-QFBILLFUSA-N 2 2 329.444 2.421 10 0 EEAELP Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)s1 ZINC000903893707 1242365214 /nfs/dbraw/zinc/36/52/14/1242365214.db2.gz YUPZUDDAXFRNIG-TZMCWYRMSA-N 2 2 334.493 2.469 10 0 EEAELP Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)s1 ZINC000903893707 1242365222 /nfs/dbraw/zinc/36/52/22/1242365222.db2.gz YUPZUDDAXFRNIG-TZMCWYRMSA-N 2 2 334.493 2.469 10 0 EEAELP COc1cc2c(cc1F)C[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903915958 1242468817 /nfs/dbraw/zinc/46/88/17/1242468817.db2.gz QBSLNIYRUJKQNN-AWEZNQCLSA-N 2 2 346.450 2.052 10 0 EEAELP COc1cc2c(cc1F)C[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903915958 1242468828 /nfs/dbraw/zinc/46/88/28/1242468828.db2.gz QBSLNIYRUJKQNN-AWEZNQCLSA-N 2 2 346.450 2.052 10 0 EEAELP COc1cc(C)c(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1OC ZINC000903973124 1242807430 /nfs/dbraw/zinc/80/74/30/1242807430.db2.gz OVAJRZLUKXEGSB-INIZCTEOSA-N 2 2 334.460 2.261 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001491542391 1245642514 /nfs/dbraw/zinc/64/25/14/1245642514.db2.gz HDCAWGACDWDTSG-SJORKVTESA-N 2 2 340.471 2.173 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1F ZINC001491506751 1259157475 /nfs/dbraw/zinc/15/74/75/1259157475.db2.gz DRBQDTBJBJJALF-GDBMZVCRSA-N 2 2 344.434 2.188 10 0 EEAELP CC[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cncc(F)c1 ZINC001267245327 1276672352 /nfs/dbraw/zinc/67/23/52/1276672352.db2.gz DNQKFIFERVCLLK-UHFFFAOYSA-N 2 2 341.390 2.349 10 0 EEAELP CC[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1cncc(F)c1 ZINC001267245327 1276672358 /nfs/dbraw/zinc/67/23/58/1276672358.db2.gz DNQKFIFERVCLLK-UHFFFAOYSA-N 2 2 341.390 2.349 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCC(F)(F)C1 ZINC001490351174 1291175290 /nfs/dbraw/zinc/17/52/90/1291175290.db2.gz FJATYEILGLZPRK-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCC(F)(F)C1 ZINC001490351174 1291175293 /nfs/dbraw/zinc/17/52/93/1291175293.db2.gz FJATYEILGLZPRK-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP CCOCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001490309707 1291181543 /nfs/dbraw/zinc/18/15/43/1291181543.db2.gz MQCDLOYGHBZPPM-NVXWUHKLSA-N 2 2 336.480 2.046 10 0 EEAELP C[N@H+](CCc1ccccc1)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001490783305 1291728865 /nfs/dbraw/zinc/72/88/65/1291728865.db2.gz OOEAIXZZKYWDDA-LJQANCHMSA-N 2 2 340.471 2.296 10 0 EEAELP C[N@@H+](CCc1ccccc1)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001490783305 1291728868 /nfs/dbraw/zinc/72/88/68/1291728868.db2.gz OOEAIXZZKYWDDA-LJQANCHMSA-N 2 2 340.471 2.296 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760373 1292189705 /nfs/dbraw/zinc/18/97/05/1292189705.db2.gz DPBTXKOIYIUVSH-IRXDYDNUSA-N 2 2 326.868 2.416 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760373 1292189708 /nfs/dbraw/zinc/18/97/08/1292189708.db2.gz DPBTXKOIYIUVSH-IRXDYDNUSA-N 2 2 326.868 2.416 10 0 EEAELP COc1cccc(/C(C)=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000855415351 1293209442 /nfs/dbraw/zinc/20/94/42/1293209442.db2.gz VYXCKDSOCRIYIN-JQIJEIRASA-N 2 2 333.476 2.098 10 0 EEAELP COc1cccc(/C(C)=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000855415351 1293209445 /nfs/dbraw/zinc/20/94/45/1293209445.db2.gz VYXCKDSOCRIYIN-JQIJEIRASA-N 2 2 333.476 2.098 10 0 EEAELP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc[nH]n3)C2)ccn1 ZINC000856560424 1293566974 /nfs/dbraw/zinc/56/69/74/1293566974.db2.gz LWKOZRXIDMVFPD-GOSISDBHSA-N 2 2 329.448 2.298 10 0 EEAELP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc[nH]n3)C2)ccn1 ZINC000856560424 1293566984 /nfs/dbraw/zinc/56/69/84/1293566984.db2.gz LWKOZRXIDMVFPD-GOSISDBHSA-N 2 2 329.448 2.298 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc[nH]n3)C2)ccn1 ZINC000856560424 1293566992 /nfs/dbraw/zinc/56/69/92/1293566992.db2.gz LWKOZRXIDMVFPD-GOSISDBHSA-N 2 2 329.448 2.298 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc[nH]n3)C2)ccn1 ZINC000856560424 1293566999 /nfs/dbraw/zinc/56/69/99/1293566999.db2.gz LWKOZRXIDMVFPD-GOSISDBHSA-N 2 2 329.448 2.298 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000856585970 1293570947 /nfs/dbraw/zinc/57/09/47/1293570947.db2.gz NZORLYGLTBMPIU-LJQANCHMSA-N 3 2 343.475 2.273 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000856585970 1293570948 /nfs/dbraw/zinc/57/09/48/1293570948.db2.gz NZORLYGLTBMPIU-LJQANCHMSA-N 3 2 343.475 2.273 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000856585970 1293570949 /nfs/dbraw/zinc/57/09/49/1293570949.db2.gz NZORLYGLTBMPIU-LJQANCHMSA-N 3 2 343.475 2.273 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000856585970 1293570950 /nfs/dbraw/zinc/57/09/50/1293570950.db2.gz NZORLYGLTBMPIU-LJQANCHMSA-N 3 2 343.475 2.273 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(C)o3)C2)ccn1 ZINC000856591875 1293574378 /nfs/dbraw/zinc/57/43/78/1293574378.db2.gz QSMVOQRDLHJKLZ-KRWDZBQOSA-N 2 2 330.432 2.483 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncc(C)o3)C2)ccn1 ZINC000856591875 1293574385 /nfs/dbraw/zinc/57/43/85/1293574385.db2.gz QSMVOQRDLHJKLZ-KRWDZBQOSA-N 2 2 330.432 2.483 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncc(C)o3)C2)ccn1 ZINC000856591875 1293574390 /nfs/dbraw/zinc/57/43/90/1293574390.db2.gz QSMVOQRDLHJKLZ-KRWDZBQOSA-N 2 2 330.432 2.483 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncc(C)o3)C2)ccn1 ZINC000856591875 1293574396 /nfs/dbraw/zinc/57/43/96/1293574396.db2.gz QSMVOQRDLHJKLZ-KRWDZBQOSA-N 2 2 330.432 2.483 10 0 EEAELP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592786 1293576047 /nfs/dbraw/zinc/57/60/47/1293576047.db2.gz WZRRZMUSASSFGL-QAPCUYQASA-N 2 2 349.475 2.328 10 0 EEAELP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592786 1293576048 /nfs/dbraw/zinc/57/60/48/1293576048.db2.gz WZRRZMUSASSFGL-QAPCUYQASA-N 2 2 349.475 2.328 10 0 EEAELP CCCOC(=O)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592786 1293576049 /nfs/dbraw/zinc/57/60/49/1293576049.db2.gz WZRRZMUSASSFGL-QAPCUYQASA-N 2 2 349.475 2.328 10 0 EEAELP CCCOC(=O)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592786 1293576050 /nfs/dbraw/zinc/57/60/50/1293576050.db2.gz WZRRZMUSASSFGL-QAPCUYQASA-N 2 2 349.475 2.328 10 0 EEAELP CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@H](C[NH2+]CCF)C1CC1 ZINC001277678326 1304164940 /nfs/dbraw/zinc/16/49/40/1304164940.db2.gz TVISGBXJDSLHSS-QGZVFWFLSA-N 2 2 330.407 2.282 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCCc1ccccc1 ZINC001277909301 1305054673 /nfs/dbraw/zinc/05/46/73/1305054673.db2.gz JUABDYLZQJCHIJ-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP CCn1ncc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)n1 ZINC000838966646 1315197832 /nfs/dbraw/zinc/19/78/32/1315197832.db2.gz KUSLPRNQJQNOQI-UHFFFAOYSA-N 2 2 328.464 2.123 10 0 EEAELP Fc1cccc(Cl)c1[C@@H]1CN([NH2+]CC2CC[NH2+]CC2)CCO1 ZINC000843043954 1315826864 /nfs/dbraw/zinc/82/68/64/1315826864.db2.gz DTCWQGDPHURPQQ-HNNXBMFYSA-N 2 2 327.831 2.357 10 0 EEAELP CCO[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC=C(C)C ZINC001263974067 1322574736 /nfs/dbraw/zinc/57/47/36/1322574736.db2.gz NQQJPEBBESPRGU-HZPDHXFCSA-N 2 2 348.491 2.107 10 0 EEAELP Cc1ncoc1C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001264517474 1322721743 /nfs/dbraw/zinc/72/17/43/1322721743.db2.gz GOLGTJZXOOSMMV-ZFWWWQNUSA-N 2 2 345.447 2.056 10 0 EEAELP C[C@H]([NH2+]CCCCCF)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001265092496 1322916314 /nfs/dbraw/zinc/91/63/14/1322916314.db2.gz RNVRBROWDVBXEL-RDJZCZTQSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCc1ccns1 ZINC001266156213 1323724558 /nfs/dbraw/zinc/72/45/58/1323724558.db2.gz WTVQLVQBOBSWJF-LBPRGKRZSA-N 2 2 343.456 2.360 10 0 EEAELP Cc1conc1C[NH2+]CC[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001280207349 1324114891 /nfs/dbraw/zinc/11/48/91/1324114891.db2.gz JOHQQVDLBDMXLX-JKSUJKDBSA-N 2 2 345.447 2.159 10 0 EEAELP CC(C)(C(=O)N1CCC(C)([NH2+]CCOCC2CC2)CC1)c1c[nH+]c[nH]1 ZINC001281518338 1325212780 /nfs/dbraw/zinc/21/27/80/1325212780.db2.gz MPEFFMZVKGATLY-UHFFFAOYSA-N 2 2 348.491 2.085 10 0 EEAELP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)sc1C ZINC001283268510 1325980746 /nfs/dbraw/zinc/98/07/46/1325980746.db2.gz MCHOFXNWWLWFEA-LLVKDONJSA-N 2 2 349.504 2.409 10 0 EEAELP CC(C)OCCC[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001283631313 1326171270 /nfs/dbraw/zinc/17/12/70/1326171270.db2.gz IUGJDMKVZJNGPV-CQSZACIVSA-N 2 2 332.448 2.428 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001284632027 1326639906 /nfs/dbraw/zinc/63/99/06/1326639906.db2.gz QXXZWZCVSDUYSB-IDOVFVQQSA-N 2 2 326.872 2.461 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001284632027 1326639908 /nfs/dbraw/zinc/63/99/08/1326639908.db2.gz QXXZWZCVSDUYSB-IDOVFVQQSA-N 2 2 326.872 2.461 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001491729454 1330233361 /nfs/dbraw/zinc/23/33/61/1330233361.db2.gz IIDDTQZBZBQQAO-IBGZPJMESA-N 2 2 340.471 2.474 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001491729454 1330233364 /nfs/dbraw/zinc/23/33/64/1330233364.db2.gz IIDDTQZBZBQQAO-IBGZPJMESA-N 2 2 340.471 2.474 10 0 EEAELP C[N@H+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001491963885 1330358286 /nfs/dbraw/zinc/35/82/86/1330358286.db2.gz RUQWFHUHQVJJIZ-QWHCGFSZSA-N 2 2 334.291 2.180 10 0 EEAELP C[N@@H+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001491963885 1330358292 /nfs/dbraw/zinc/35/82/92/1330358292.db2.gz RUQWFHUHQVJJIZ-QWHCGFSZSA-N 2 2 334.291 2.180 10 0 EEAELP C[NH+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491963885 1330358295 /nfs/dbraw/zinc/35/82/95/1330358295.db2.gz RUQWFHUHQVJJIZ-QWHCGFSZSA-N 2 2 334.291 2.180 10 0 EEAELP C[NH+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001491963885 1330358300 /nfs/dbraw/zinc/35/83/00/1330358300.db2.gz RUQWFHUHQVJJIZ-QWHCGFSZSA-N 2 2 334.291 2.180 10 0 EEAELP Cc1csc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)n1 ZINC001492042008 1330415205 /nfs/dbraw/zinc/41/52/05/1330415205.db2.gz WFGIKGCXSSWYPN-GFCCVEGCSA-N 2 2 349.504 2.376 10 0 EEAELP Cc1oncc1C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001316684121 1331321976 /nfs/dbraw/zinc/32/19/76/1331321976.db2.gz WIYZFMSZNXPOOY-BBRMVZONSA-N 2 2 345.447 2.056 10 0 EEAELP O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC001413831981 1331512224 /nfs/dbraw/zinc/51/22/24/1331512224.db2.gz YFNYYUHOTUHQTG-UHFFFAOYSA-N 2 2 331.464 2.316 10 0 EEAELP O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC001413831981 1331512227 /nfs/dbraw/zinc/51/22/27/1331512227.db2.gz YFNYYUHOTUHQTG-UHFFFAOYSA-N 2 2 331.464 2.316 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)cs1 ZINC001316831885 1331921207 /nfs/dbraw/zinc/92/12/07/1331921207.db2.gz LWNFXNVHKRLEOH-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)cs1 ZINC001316831885 1331921210 /nfs/dbraw/zinc/92/12/10/1331921210.db2.gz LWNFXNVHKRLEOH-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP O=C(NCCC[N@@H+](CCF)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001316920056 1331986691 /nfs/dbraw/zinc/98/66/91/1331986691.db2.gz AXDGXQOMXMFJDS-UHFFFAOYSA-N 2 2 330.407 2.426 10 0 EEAELP O=C(NCCC[N@H+](CCF)C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001316920056 1331986693 /nfs/dbraw/zinc/98/66/93/1331986693.db2.gz AXDGXQOMXMFJDS-UHFFFAOYSA-N 2 2 330.407 2.426 10 0 EEAELP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)nc1 ZINC001317291080 1332166635 /nfs/dbraw/zinc/16/66/35/1332166635.db2.gz UTJUPPJRWQERKP-CYBMUJFWSA-N 2 2 335.839 2.006 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)o1 ZINC001317620409 1332331682 /nfs/dbraw/zinc/33/16/82/1332331682.db2.gz OMHJPYXKBAZMNE-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)o1 ZINC001317620409 1332331686 /nfs/dbraw/zinc/33/16/86/1332331686.db2.gz OMHJPYXKBAZMNE-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]CC[C@H]1CC1(Cl)Cl)n1cc[nH+]c1 ZINC001317636349 1332340500 /nfs/dbraw/zinc/34/05/00/1332340500.db2.gz PGYASMQBGGFZJU-STQMWFEESA-N 2 2 347.290 2.466 10 0 EEAELP C[C@](C[NH2+]C/C=C\Cl)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001318702610 1332580689 /nfs/dbraw/zinc/58/06/89/1332580689.db2.gz NFAIXYKONVKRBE-AWAUGVGXSA-N 2 2 336.867 2.073 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CC1=CCCCC1 ZINC001319210285 1332666162 /nfs/dbraw/zinc/66/61/62/1332666162.db2.gz VTQFWUDNABECHH-RDJZCZTQSA-N 2 2 330.476 2.288 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]Cc3cnc(C)o3)ccn12 ZINC001319461346 1332705546 /nfs/dbraw/zinc/70/55/46/1332705546.db2.gz SZDRNNIKZOOINV-LBPRGKRZSA-N 2 2 341.415 2.189 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001319466354 1332707100 /nfs/dbraw/zinc/70/71/00/1332707100.db2.gz KHPFGJKQMZVBDW-FSNWXROXSA-N 2 2 326.444 2.492 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001319466354 1332707104 /nfs/dbraw/zinc/70/71/04/1332707104.db2.gz KHPFGJKQMZVBDW-FSNWXROXSA-N 2 2 326.444 2.492 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]Cc1cncs1 ZINC001319770639 1332763475 /nfs/dbraw/zinc/76/34/75/1332763475.db2.gz UVZQETWHVWIYJG-OAHLLOKOSA-N 2 2 347.488 2.291 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccon1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320502598 1332899199 /nfs/dbraw/zinc/89/91/99/1332899199.db2.gz KUZQPUIQAGLREO-AWEZNQCLSA-N 2 2 339.399 2.159 10 0 EEAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC=CC[NH2+]CC2CCCC2)[nH]n1 ZINC001321067443 1333010825 /nfs/dbraw/zinc/01/08/25/1333010825.db2.gz VEZGBIADFKKQNY-SHCNBLLESA-N 2 2 345.491 2.242 10 0 EEAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC=CC[NH2+]CC2CCCC2)[nH]n1 ZINC001321067443 1333010826 /nfs/dbraw/zinc/01/08/26/1333010826.db2.gz VEZGBIADFKKQNY-SHCNBLLESA-N 2 2 345.491 2.242 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1cccc(F)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001321095227 1333017898 /nfs/dbraw/zinc/01/78/98/1333017898.db2.gz AXTJJDLXLXQINE-PKUCDIRRSA-N 2 2 328.391 2.115 10 0 EEAELP Cc1oncc1C[NH2+]C/C=C\CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001321418998 1333100273 /nfs/dbraw/zinc/10/02/73/1333100273.db2.gz NEXUUCIGFFLFLE-ZEVQVBBLSA-N 2 2 342.443 2.048 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001325917721 1333994184 /nfs/dbraw/zinc/99/41/84/1333994184.db2.gz MOKVOJXOTDNHSR-MSOLQXFVSA-N 2 2 348.491 2.143 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001325917721 1333994188 /nfs/dbraw/zinc/99/41/88/1333994188.db2.gz MOKVOJXOTDNHSR-MSOLQXFVSA-N 2 2 348.491 2.143 10 0 EEAELP CCOCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001327532400 1334310910 /nfs/dbraw/zinc/31/09/10/1334310910.db2.gz XIMSMZFKFGMSSU-PKOBYXMFSA-N 2 2 348.491 2.185 10 0 EEAELP CCOCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001327532400 1334310912 /nfs/dbraw/zinc/31/09/12/1334310912.db2.gz XIMSMZFKFGMSSU-PKOBYXMFSA-N 2 2 348.491 2.185 10 0 EEAELP CCCCOCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001327883704 1334359186 /nfs/dbraw/zinc/35/91/86/1334359186.db2.gz WKXFWNMBNBHKNZ-KDOFPFPSSA-N 2 2 344.459 2.430 10 0 EEAELP C[NH+](C)CCONC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001328308676 1334442383 /nfs/dbraw/zinc/44/23/83/1334442383.db2.gz AJATXOFGJDLAAZ-OAHLLOKOSA-N 2 2 334.464 2.103 10 0 EEAELP CC(C)OCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329473983 1334658311 /nfs/dbraw/zinc/65/83/11/1334658311.db2.gz GQKNKEYPCIBUQU-AWEZNQCLSA-N 2 2 332.448 2.428 10 0 EEAELP CC(C)OCCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329473983 1334658314 /nfs/dbraw/zinc/65/83/14/1334658314.db2.gz GQKNKEYPCIBUQU-AWEZNQCLSA-N 2 2 332.448 2.428 10 0 EEAELP CCCCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001332008297 1335704180 /nfs/dbraw/zinc/70/41/80/1335704180.db2.gz OXXXWHNQXACINT-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP CCCCOCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1(C)C ZINC001332387232 1335815437 /nfs/dbraw/zinc/81/54/37/1335815437.db2.gz JDGYSRZKJABGFH-INMHGKMJSA-N 2 2 348.491 2.157 10 0 EEAELP CCCCOCC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1(C)C ZINC001332387232 1335815439 /nfs/dbraw/zinc/81/54/39/1335815439.db2.gz JDGYSRZKJABGFH-INMHGKMJSA-N 2 2 348.491 2.157 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC001333445336 1336048428 /nfs/dbraw/zinc/04/84/28/1336048428.db2.gz UAQUIFXAJPKMOZ-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001333445336 1336048434 /nfs/dbraw/zinc/04/84/34/1336048434.db2.gz UAQUIFXAJPKMOZ-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001433423002 1341593243 /nfs/dbraw/zinc/59/32/43/1341593243.db2.gz RMRAABIKHAKLIC-INIZCTEOSA-N 2 2 348.491 2.110 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001567570731 1342786124 /nfs/dbraw/zinc/78/61/24/1342786124.db2.gz GBPLLGNDAOPJIF-MRXNPFEDSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001567570731 1342786126 /nfs/dbraw/zinc/78/61/26/1342786126.db2.gz GBPLLGNDAOPJIF-MRXNPFEDSA-N 2 2 348.491 2.363 10 0 EEAELP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CCC([NH2+]CCCF)CC1 ZINC001570661140 1343098201 /nfs/dbraw/zinc/09/82/01/1343098201.db2.gz NDLVUJOWMPVWED-FHERZECASA-N 2 2 336.455 2.164 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001571410830 1343206410 /nfs/dbraw/zinc/20/64/10/1343206410.db2.gz RMCKMBQAWJGNCK-MRXNPFEDSA-N 2 2 344.459 2.085 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001571543923 1343233552 /nfs/dbraw/zinc/23/35/52/1343233552.db2.gz HQDAZFKYNXBARN-ZBFHGGJFSA-N 2 2 344.434 2.209 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CCCc1ccccc1 ZINC001676460827 1357153374 /nfs/dbraw/zinc/15/33/74/1357153374.db2.gz ASCIJKFPCRCFKC-INIZCTEOSA-N 2 2 328.460 2.032 10 0 EEAELP COCCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001676938449 1357245480 /nfs/dbraw/zinc/24/54/80/1357245480.db2.gz HZGPWYIIXAKWBI-CVEARBPZSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1ccc(/C=C\C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC001598393403 1349937960 /nfs/dbraw/zinc/93/79/60/1349937960.db2.gz JXMFJMJCWMDWGE-WAYWQWQTSA-N 2 2 342.487 2.078 10 0 EEAELP CCNc1cc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc[nH+]1 ZINC001646949017 1353066710 /nfs/dbraw/zinc/06/67/10/1353066710.db2.gz ICRNOEVVYSNTNC-MRXNPFEDSA-N 2 2 331.464 2.283 10 0 EEAELP O=c1c2ccccc2ncn1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001648651318 1353437188 /nfs/dbraw/zinc/43/71/88/1353437188.db2.gz XGLPJKNDRMRJPZ-UHFFFAOYSA-N 2 2 337.427 2.320 10 0 EEAELP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001649904079 1353643941 /nfs/dbraw/zinc/64/39/41/1353643941.db2.gz ANDCAGOZVKWDKB-CYBMUJFWSA-N 2 2 327.419 2.068 10 0 EEAELP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001649904079 1353643944 /nfs/dbraw/zinc/64/39/44/1353643944.db2.gz ANDCAGOZVKWDKB-CYBMUJFWSA-N 2 2 327.419 2.068 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)C[C@H]2CCCOC2)c(C)[nH+]1 ZINC001660235664 1354423009 /nfs/dbraw/zinc/42/30/09/1354423009.db2.gz XYMOXVXLLZGKEM-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[N@H+](C)C[C@H]2CCCOC2)c(C)[nH+]1 ZINC001660235664 1354423012 /nfs/dbraw/zinc/42/30/12/1354423012.db2.gz XYMOXVXLLZGKEM-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001662078171 1354747449 /nfs/dbraw/zinc/74/74/49/1354747449.db2.gz HKNGGDXWOHBCKZ-KGNSDATESA-N 2 2 334.291 2.084 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@H]21 ZINC001662078171 1354747445 /nfs/dbraw/zinc/74/74/45/1354747445.db2.gz HKNGGDXWOHBCKZ-KGNSDATESA-N 2 2 334.291 2.084 10 0 EEAELP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001664029905 1355077473 /nfs/dbraw/zinc/07/74/73/1355077473.db2.gz YIUFTRAWKJSMIX-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001666167162 1355472902 /nfs/dbraw/zinc/47/29/02/1355472902.db2.gz DEMDOYCECHESMS-SJORKVTESA-N 2 2 348.491 2.048 10 0 EEAELP COCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001667737225 1355802602 /nfs/dbraw/zinc/80/26/02/1355802602.db2.gz DLLGSEGKLJZSNZ-AEFFLSMTSA-N 2 2 342.443 2.007 10 0 EEAELP O=C(NC[C@H](O)C[NH2+]CCCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001667842170 1355821288 /nfs/dbraw/zinc/82/12/88/1355821288.db2.gz FFMPZWQQDOLBNT-MRXNPFEDSA-N 2 2 344.459 2.214 10 0 EEAELP CCc1nocc1C[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001668107227 1355873639 /nfs/dbraw/zinc/87/36/39/1355873639.db2.gz RWJFNGRQWNFHMG-GFCCVEGCSA-N 2 2 341.415 2.412 10 0 EEAELP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001668117865 1355876359 /nfs/dbraw/zinc/87/63/59/1355876359.db2.gz MNNIHKMKYDJNEW-HOCLYGCPSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)co1 ZINC001669075765 1356086341 /nfs/dbraw/zinc/08/63/41/1356086341.db2.gz XQIQQJZSMOZGAI-OSJSJHBBSA-N 2 2 334.464 2.008 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)co1 ZINC001669075765 1356086347 /nfs/dbraw/zinc/08/63/47/1356086347.db2.gz XQIQQJZSMOZGAI-OSJSJHBBSA-N 2 2 334.464 2.008 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC001669137878 1356104591 /nfs/dbraw/zinc/10/45/91/1356104591.db2.gz FKVATGDANKVNEZ-VQTKUKTRSA-N 2 2 330.407 2.125 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)on1 ZINC001669209114 1356126766 /nfs/dbraw/zinc/12/67/66/1356126766.db2.gz YHSMVXASAXVWHJ-LKGOPFMKSA-N 2 2 342.443 2.048 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001672286637 1356493802 /nfs/dbraw/zinc/49/38/02/1356493802.db2.gz JWUSDHMDMKQYGN-GOEBONIOSA-N 2 2 344.459 2.286 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001674463279 1356838485 /nfs/dbraw/zinc/83/84/85/1356838485.db2.gz JHOLQFGAIGLNLS-IAGOWNOFSA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001674463279 1356838487 /nfs/dbraw/zinc/83/84/87/1356838487.db2.gz JHOLQFGAIGLNLS-IAGOWNOFSA-N 2 2 330.476 2.335 10 0 EEAELP C[C@@H](CCC[NH2+]C/C=C/Cl)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001675904559 1357066987 /nfs/dbraw/zinc/06/69/87/1357066987.db2.gz VPIRFGLEGMJBIY-GPAKFWEMSA-N 2 2 338.883 2.389 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccns1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001675972894 1357079596 /nfs/dbraw/zinc/07/95/96/1357079596.db2.gz BOGAQGFWXGOYES-NWANDNLSSA-N 2 2 347.488 2.055 10 0 EEAELP C[C@H](CCC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001675978897 1357080523 /nfs/dbraw/zinc/08/05/23/1357080523.db2.gz BJLALWJQUIFJFC-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CC[C@@H]1CCCCO1 ZINC001698756801 1405046597 /nfs/dbraw/zinc/04/65/97/1405046597.db2.gz PDNMKRAXAVYBEY-HOTGVXAUSA-N 2 2 344.459 2.249 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001699030759 1405242832 /nfs/dbraw/zinc/24/28/32/1405242832.db2.gz VEBGXHUFAQFMED-CHWSQXEVSA-N 2 2 345.274 2.467 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000846991107 790802584 /nfs/dbraw/zinc/80/25/84/790802584.db2.gz KSMBCGGJEXEUQC-YJBOKZPZSA-N 2 2 342.430 2.023 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC([C@H](O)c2cc(F)ccc2F)CC1 ZINC000846991107 790802599 /nfs/dbraw/zinc/80/25/99/790802599.db2.gz KSMBCGGJEXEUQC-YJBOKZPZSA-N 2 2 342.430 2.023 10 0 EEAELP O=C(N1CC2(CC[N@@H+]2Cc2ccccc2)C1)C12CCC[NH+](CCC1)C2 ZINC000910776022 787037105 /nfs/dbraw/zinc/03/71/05/787037105.db2.gz BXFJRFWLOJSNTD-UHFFFAOYSA-N 2 2 339.483 2.349 10 0 EEAELP O=C(N1CC2(CC[N@H+]2Cc2ccccc2)C1)C12CCC[NH+](CCC1)C2 ZINC000910776022 787037114 /nfs/dbraw/zinc/03/71/14/787037114.db2.gz BXFJRFWLOJSNTD-UHFFFAOYSA-N 2 2 339.483 2.349 10 0 EEAELP CC[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C[C@H](C)[NH2+]1 ZINC000912731407 788326660 /nfs/dbraw/zinc/32/66/60/788326660.db2.gz VPLNQGIPWYAUDJ-DOTOQJQBSA-N 2 2 341.459 2.208 10 0 EEAELP C[C@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000913083911 788614953 /nfs/dbraw/zinc/61/49/53/788614953.db2.gz FOIKABYBTABNJO-PMACEKPBSA-N 2 2 338.455 2.323 10 0 EEAELP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844472103 789141941 /nfs/dbraw/zinc/14/19/41/789141941.db2.gz BTYCYGOEMUDEOJ-FYQPLNBISA-N 2 2 330.472 2.438 10 0 EEAELP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844472103 789141947 /nfs/dbraw/zinc/14/19/47/789141947.db2.gz BTYCYGOEMUDEOJ-FYQPLNBISA-N 2 2 330.472 2.438 10 0 EEAELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000923262902 789257774 /nfs/dbraw/zinc/25/77/74/789257774.db2.gz CUTWFKKUKHKDSZ-YNEHKIRRSA-N 2 2 330.354 2.072 10 0 EEAELP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F ZINC000923262902 789257784 /nfs/dbraw/zinc/25/77/84/789257784.db2.gz CUTWFKKUKHKDSZ-YNEHKIRRSA-N 2 2 330.354 2.072 10 0 EEAELP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000913632010 793993453 /nfs/dbraw/zinc/99/34/53/793993453.db2.gz MMEUCOTYHXGMFD-MRXNPFEDSA-N 2 2 342.487 2.458 10 0 EEAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921860588 797692883 /nfs/dbraw/zinc/69/28/83/797692883.db2.gz SHTNDSGTCPKVNK-RTBURBONSA-N 2 2 332.492 2.466 10 0 EEAELP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922546675 801273455 /nfs/dbraw/zinc/27/34/55/801273455.db2.gz CEOIRRLSHUGTFX-CYBMUJFWSA-N 2 2 341.525 2.124 10 0 EEAELP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922546675 801273466 /nfs/dbraw/zinc/27/34/66/801273466.db2.gz CEOIRRLSHUGTFX-CYBMUJFWSA-N 2 2 341.525 2.124 10 0 EEAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H]1CCCCO1 ZINC001566465851 1125626531 /nfs/dbraw/zinc/62/65/31/1125626531.db2.gz GSVZGXXPMXYBNS-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H]1CCCCO1 ZINC001566465851 1125626536 /nfs/dbraw/zinc/62/65/36/1125626536.db2.gz GSVZGXXPMXYBNS-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP CCc1ccc(C[N@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001566508894 1125678397 /nfs/dbraw/zinc/67/83/97/1125678397.db2.gz UJMPQNWTOUACJE-UHFFFAOYSA-N 2 2 328.460 2.163 10 0 EEAELP CCc1ccc(C[N@@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001566508894 1125678400 /nfs/dbraw/zinc/67/84/00/1125678400.db2.gz UJMPQNWTOUACJE-UHFFFAOYSA-N 2 2 328.460 2.163 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](Cc2ocnc2C)CC1 ZINC001436757070 1088260610 /nfs/dbraw/zinc/26/06/10/1088260610.db2.gz CYIKZIBGXLWKES-UHFFFAOYSA-N 2 2 345.447 2.152 10 0 EEAELP O=C(NC[C@@H]([NH2+]CC1CCCC1)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001436794453 1088357187 /nfs/dbraw/zinc/35/71/87/1088357187.db2.gz FWVAHQAPDVWWDR-DLBZAZTESA-N 2 2 330.476 2.120 10 0 EEAELP Cc1ccc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)cc1C ZINC001436832460 1088443909 /nfs/dbraw/zinc/44/39/09/1088443909.db2.gz KDTZHNXUFNGGKG-GOSISDBHSA-N 2 2 326.444 2.185 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001436967258 1088658657 /nfs/dbraw/zinc/65/86/57/1088658657.db2.gz BGJXLBXLNIWNJS-BHYGNILZSA-N 2 2 326.444 2.068 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001436967258 1088658665 /nfs/dbraw/zinc/65/86/65/1088658665.db2.gz BGJXLBXLNIWNJS-BHYGNILZSA-N 2 2 326.444 2.068 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1CCC([NH2+]C/C(Cl)=C/Cl)CC1 ZINC001437091578 1089044764 /nfs/dbraw/zinc/04/47/64/1089044764.db2.gz NXHSBTNYMSZNHY-XFFZJAGNSA-N 2 2 331.247 2.219 10 0 EEAELP Cc1conc1C[NH2+][C@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001437319542 1089480355 /nfs/dbraw/zinc/48/03/55/1089480355.db2.gz FPFPNENPOWBEMZ-HOTGVXAUSA-N 2 2 345.447 2.177 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCc1cccs1 ZINC001437378911 1089626316 /nfs/dbraw/zinc/62/63/16/1089626316.db2.gz LOVKMSLKPQFWTC-BPLDGKMQSA-N 2 2 332.473 2.302 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCc1cccs1 ZINC001437378911 1089626328 /nfs/dbraw/zinc/62/63/28/1089626328.db2.gz LOVKMSLKPQFWTC-BPLDGKMQSA-N 2 2 332.473 2.302 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H]2CNC(=O)CC[C@H]2CCC[N@H+]2C)c(C)o1 ZINC001437683554 1090219557 /nfs/dbraw/zinc/21/95/57/1090219557.db2.gz XXWYNMQBWNQIPK-SJORKVTESA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H]2CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC001437683554 1090219562 /nfs/dbraw/zinc/21/95/62/1090219562.db2.gz XXWYNMQBWNQIPK-SJORKVTESA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)CC[C@H]2CCC[NH+]2C)c(C)o1 ZINC001437683554 1090219564 /nfs/dbraw/zinc/21/95/64/1090219564.db2.gz XXWYNMQBWNQIPK-SJORKVTESA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)CC[C@H]2CCC[NH+]2C)c(C)o1 ZINC001437683554 1090219571 /nfs/dbraw/zinc/21/95/71/1090219571.db2.gz XXWYNMQBWNQIPK-SJORKVTESA-N 2 2 348.491 2.246 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[C@H]1CC[N@H+](CC2CC2)C1 ZINC001437914121 1090496988 /nfs/dbraw/zinc/49/69/88/1090496988.db2.gz BZRCPEWIJUFEPY-INIZCTEOSA-N 2 2 330.476 2.000 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001437914121 1090496991 /nfs/dbraw/zinc/49/69/91/1090496991.db2.gz BZRCPEWIJUFEPY-INIZCTEOSA-N 2 2 330.476 2.000 10 0 EEAELP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CC1CC(F)(F)C1 ZINC001438316780 1090794205 /nfs/dbraw/zinc/79/42/05/1090794205.db2.gz HGVMQALTBCDZCP-CQSZACIVSA-N 2 2 342.434 2.456 10 0 EEAELP Cc1nocc1C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@H]1C ZINC001438431498 1090931225 /nfs/dbraw/zinc/93/12/25/1090931225.db2.gz BIEYABDZNQSHDC-RDTXWAMCSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]Cc1cncs1 ZINC001438768203 1091348031 /nfs/dbraw/zinc/34/80/31/1091348031.db2.gz JIOGYDNFMUWYJH-HOCLYGCPSA-N 2 2 347.488 2.147 10 0 EEAELP C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445761363 1091609758 /nfs/dbraw/zinc/60/97/58/1091609758.db2.gz JFFOSMVWMHCXQZ-SJLPKXTDSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445761363 1091609760 /nfs/dbraw/zinc/60/97/60/1091609760.db2.gz JFFOSMVWMHCXQZ-SJLPKXTDSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001445763372 1091613456 /nfs/dbraw/zinc/61/34/56/1091613456.db2.gz ISVSHJNKQHAECT-INIZCTEOSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001445763372 1091613464 /nfs/dbraw/zinc/61/34/64/1091613464.db2.gz ISVSHJNKQHAECT-INIZCTEOSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001445763372 1091613470 /nfs/dbraw/zinc/61/34/70/1091613470.db2.gz ISVSHJNKQHAECT-INIZCTEOSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001445763372 1091613477 /nfs/dbraw/zinc/61/34/77/1091613477.db2.gz ISVSHJNKQHAECT-INIZCTEOSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCc1[nH+]ccn1C ZINC001439240678 1091888460 /nfs/dbraw/zinc/88/84/60/1091888460.db2.gz SBQOJBGSPMRMOT-HNNXBMFYSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001439266080 1091920383 /nfs/dbraw/zinc/92/03/83/1091920383.db2.gz QOORHUPMYBHNMT-HOTGVXAUSA-N 2 2 328.460 2.500 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001439266080 1091920392 /nfs/dbraw/zinc/92/03/92/1091920392.db2.gz QOORHUPMYBHNMT-HOTGVXAUSA-N 2 2 328.460 2.500 10 0 EEAELP CO[C@@H](C[N@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001439339376 1092039449 /nfs/dbraw/zinc/03/94/49/1092039449.db2.gz JLDUNQQIEADDHP-UGSOOPFHSA-N 2 2 344.459 2.428 10 0 EEAELP CO[C@@H](C[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001439339376 1092039459 /nfs/dbraw/zinc/03/94/59/1092039459.db2.gz JLDUNQQIEADDHP-UGSOOPFHSA-N 2 2 344.459 2.428 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001439563124 1092441175 /nfs/dbraw/zinc/44/11/75/1092441175.db2.gz SYAGDXFBIGQFDL-JSGCOSHPSA-N 2 2 326.391 2.070 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001439563124 1092441181 /nfs/dbraw/zinc/44/11/81/1092441181.db2.gz SYAGDXFBIGQFDL-JSGCOSHPSA-N 2 2 326.391 2.070 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)CCCn3cc[nH+]c3C)CC2)c(C)o1 ZINC001439656053 1092585318 /nfs/dbraw/zinc/58/53/18/1092585318.db2.gz URITXHJJPKTBHL-UHFFFAOYSA-N 2 2 345.447 2.015 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@@H]1CC)[NH+](CC)CC ZINC001440450102 1093663851 /nfs/dbraw/zinc/66/38/51/1093663851.db2.gz MTTHWMMGXDYWJT-BBWFWOEESA-N 2 2 336.480 2.264 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@@H]1CC)[NH+](CC)CC ZINC001440450102 1093663854 /nfs/dbraw/zinc/66/38/54/1093663854.db2.gz MTTHWMMGXDYWJT-BBWFWOEESA-N 2 2 336.480 2.264 10 0 EEAELP CC(C)(C(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1)c1c[nH+]c[nH]1 ZINC001449095448 1094105878 /nfs/dbraw/zinc/10/58/78/1094105878.db2.gz YNTATARBMVITRF-LBPRGKRZSA-N 2 2 346.397 2.466 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001440946201 1094198372 /nfs/dbraw/zinc/19/83/72/1094198372.db2.gz UFRFLIABQVGIDQ-DOTOQJQBSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001440946201 1094198376 /nfs/dbraw/zinc/19/83/76/1094198376.db2.gz UFRFLIABQVGIDQ-DOTOQJQBSA-N 2 2 344.503 2.462 10 0 EEAELP CC(C)[NH+]1CCC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001449348200 1094304754 /nfs/dbraw/zinc/30/47/54/1094304754.db2.gz TYLMUJQDDWLMPA-OAHLLOKOSA-N 2 2 332.492 2.387 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001441031773 1094323711 /nfs/dbraw/zinc/32/37/11/1094323711.db2.gz ZSJCZVIGEHDXRQ-KGLIPLIRSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001441031773 1094323718 /nfs/dbraw/zinc/32/37/18/1094323718.db2.gz ZSJCZVIGEHDXRQ-KGLIPLIRSA-N 2 2 328.407 2.145 10 0 EEAELP Cc1cccnc1C[NH+]1CCC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001449367074 1094333995 /nfs/dbraw/zinc/33/39/95/1094333995.db2.gz OIWKNVZMPFAPKQ-HNNXBMFYSA-N 2 2 341.459 2.073 10 0 EEAELP CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001441226676 1094600024 /nfs/dbraw/zinc/60/00/24/1094600024.db2.gz MGTUQVSPBMQRHS-PKOBYXMFSA-N 2 2 348.491 2.184 10 0 EEAELP CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001441226676 1094600034 /nfs/dbraw/zinc/60/00/34/1094600034.db2.gz MGTUQVSPBMQRHS-PKOBYXMFSA-N 2 2 348.491 2.184 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[NH2+]CCc1cccs1 ZINC001441877668 1095998938 /nfs/dbraw/zinc/99/89/38/1095998938.db2.gz ZAQBAPASBGLLLB-CYBMUJFWSA-N 2 2 333.457 2.031 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001441979916 1096183878 /nfs/dbraw/zinc/18/38/78/1096183878.db2.gz ZVBKSDLIXRYHTN-HWPZZCPQSA-N 2 2 334.370 2.012 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001441984879 1096187859 /nfs/dbraw/zinc/18/78/59/1096187859.db2.gz MFMJKUZOHDXSGW-HZMBPMFUSA-N 2 2 334.370 2.012 10 0 EEAELP COC[C@@H](C)[N@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001442109195 1096337201 /nfs/dbraw/zinc/33/72/01/1096337201.db2.gz ARJJPIFVDDBIFT-OAHLLOKOSA-N 2 2 332.448 2.152 10 0 EEAELP COC[C@@H](C)[N@@H+](C)CCN(C(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001442109195 1096337205 /nfs/dbraw/zinc/33/72/05/1096337205.db2.gz ARJJPIFVDDBIFT-OAHLLOKOSA-N 2 2 332.448 2.152 10 0 EEAELP CCC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1cccnc1 ZINC001442948180 1097360829 /nfs/dbraw/zinc/36/08/29/1097360829.db2.gz ABFQSBZYBVNHND-UHFFFAOYSA-N 2 2 343.475 2.350 10 0 EEAELP CCC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1cccnc1 ZINC001442948180 1097360833 /nfs/dbraw/zinc/36/08/33/1097360833.db2.gz ABFQSBZYBVNHND-UHFFFAOYSA-N 2 2 343.475 2.350 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1 ZINC001443039709 1097448925 /nfs/dbraw/zinc/44/89/25/1097448925.db2.gz BTBYLPFRICVBNL-UHFFFAOYSA-N 2 2 332.492 2.370 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC001443039709 1097448927 /nfs/dbraw/zinc/44/89/27/1097448927.db2.gz BTBYLPFRICVBNL-UHFFFAOYSA-N 2 2 332.492 2.370 10 0 EEAELP C[N@H+](C/C=C\c1ccccc1)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001443330045 1097836133 /nfs/dbraw/zinc/83/61/33/1097836133.db2.gz DHHIUOSNMLYDHF-NVAPOSRTSA-N 2 2 338.455 2.377 10 0 EEAELP C[N@@H+](C/C=C\c1ccccc1)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001443330045 1097836142 /nfs/dbraw/zinc/83/61/42/1097836142.db2.gz DHHIUOSNMLYDHF-NVAPOSRTSA-N 2 2 338.455 2.377 10 0 EEAELP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cc(C)ns1 ZINC001444001825 1098516378 /nfs/dbraw/zinc/51/63/78/1098516378.db2.gz GFCPOCQGBAVLRA-UONOGXRCSA-N 2 2 335.477 2.284 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)no1 ZINC001479479887 1098558672 /nfs/dbraw/zinc/55/86/72/1098558672.db2.gz ZFRAJYLSXVARID-CWRNSKLLSA-N 2 2 345.447 2.205 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001444143812 1098683411 /nfs/dbraw/zinc/68/34/11/1098683411.db2.gz FHIWMSLKQRRRPC-KUHUBIRLSA-N 2 2 341.459 2.058 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001444143812 1098683417 /nfs/dbraw/zinc/68/34/17/1098683417.db2.gz FHIWMSLKQRRRPC-KUHUBIRLSA-N 2 2 341.459 2.058 10 0 EEAELP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001444188357 1098740527 /nfs/dbraw/zinc/74/05/27/1098740527.db2.gz UBFXVPSWCXATSW-FZKCQIBNSA-N 2 2 336.455 2.211 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc2c(C)noc2C)c[nH+]1 ZINC001444319032 1098880545 /nfs/dbraw/zinc/88/05/45/1098880545.db2.gz FVDAHHJKOKJFIJ-GFCCVEGCSA-N 2 2 347.463 2.074 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001480079675 1099624978 /nfs/dbraw/zinc/62/49/78/1099624978.db2.gz OKUYXEORRNMCFV-DLBZAZTESA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001480079675 1099624983 /nfs/dbraw/zinc/62/49/83/1099624983.db2.gz OKUYXEORRNMCFV-DLBZAZTESA-N 2 2 332.492 2.272 10 0 EEAELP C[N@H+](CC[C@H]1CCCCO1)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480083371 1099634464 /nfs/dbraw/zinc/63/44/64/1099634464.db2.gz CLKIBOLUBRNSFE-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CC[C@H]1CCCCO1)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480083371 1099634468 /nfs/dbraw/zinc/63/44/68/1099634468.db2.gz CLKIBOLUBRNSFE-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480143821 1099711816 /nfs/dbraw/zinc/71/18/16/1099711816.db2.gz MWPIBNVCCCAEPE-SWUIMCBGSA-N 2 2 336.439 2.463 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480143821 1099711825 /nfs/dbraw/zinc/71/18/25/1099711825.db2.gz MWPIBNVCCCAEPE-SWUIMCBGSA-N 2 2 336.439 2.463 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](CNC(=O)CCn2cc[nH+]c2)C(C)C)c(C)n1 ZINC001444896893 1099947601 /nfs/dbraw/zinc/94/76/01/1099947601.db2.gz NIEOTQQGNMDEJP-SFHVURJKSA-N 2 2 343.475 2.216 10 0 EEAELP COCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001480373726 1100156272 /nfs/dbraw/zinc/15/62/72/1100156272.db2.gz RXYMGJHKIIELMP-MSOLQXFVSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001480373726 1100156279 /nfs/dbraw/zinc/15/62/79/1100156279.db2.gz RXYMGJHKIIELMP-MSOLQXFVSA-N 2 2 348.491 2.224 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC001480489242 1100298950 /nfs/dbraw/zinc/29/89/50/1100298950.db2.gz GAMYLOUVBUJWJC-IUODEOHRSA-N 2 2 332.473 2.110 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CCn2cc[nH+]c2)s1 ZINC001445114522 1100355396 /nfs/dbraw/zinc/35/53/96/1100355396.db2.gz NLDRMMSZQDOCFC-HOCLYGCPSA-N 2 2 347.488 2.113 10 0 EEAELP CC(C)C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001496281727 1100863903 /nfs/dbraw/zinc/86/39/03/1100863903.db2.gz YDWUYJOYNCQCOU-DLBZAZTESA-N 2 2 332.492 2.366 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]Cc2ccc(F)cc2)CCCC1 ZINC001495210378 1100893630 /nfs/dbraw/zinc/89/36/30/1100893630.db2.gz FQUDQUOBZKKHAJ-UHFFFAOYSA-N 2 2 330.407 2.241 10 0 EEAELP Cc1cccc(CCC[N@@H+]2CC[C@@](C)(NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001446561539 1101042606 /nfs/dbraw/zinc/04/26/06/1101042606.db2.gz KEVALOLXFVCQIJ-HXUWFJFHSA-N 2 2 340.471 2.405 10 0 EEAELP Cc1cccc(CCC[N@H+]2CC[C@@](C)(NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001446561539 1101042612 /nfs/dbraw/zinc/04/26/12/1101042612.db2.gz KEVALOLXFVCQIJ-HXUWFJFHSA-N 2 2 340.471 2.405 10 0 EEAELP CC[C@H](F)C[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001496569564 1101169764 /nfs/dbraw/zinc/16/97/64/1101169764.db2.gz IBCPZSRZYIIXDS-LSDHHAIUSA-N 2 2 326.460 2.405 10 0 EEAELP Cc1ncccc1C[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001496612492 1101216632 /nfs/dbraw/zinc/21/66/32/1101216632.db2.gz MFOZXOKVEFRILG-KBXCAEBGSA-N 2 2 343.475 2.222 10 0 EEAELP Cc1ncccc1C[NH2+][C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001496612492 1101216641 /nfs/dbraw/zinc/21/66/41/1101216641.db2.gz MFOZXOKVEFRILG-KBXCAEBGSA-N 2 2 343.475 2.222 10 0 EEAELP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001446696687 1101261727 /nfs/dbraw/zinc/26/17/27/1101261727.db2.gz LRYMQUPUVDBUNC-LPHOPBHVSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001446696687 1101261731 /nfs/dbraw/zinc/26/17/31/1101261731.db2.gz LRYMQUPUVDBUNC-LPHOPBHVSA-N 2 2 348.491 2.130 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)C[NH2+]Cc1ccccc1C ZINC001495691843 1101444889 /nfs/dbraw/zinc/44/48/89/1101444889.db2.gz PYTXSTACNLQRAW-HNNXBMFYSA-N 2 2 341.455 2.483 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CC1=CCCCC1 ZINC001495697841 1101452530 /nfs/dbraw/zinc/45/25/30/1101452530.db2.gz XEYOVUVYOZGUDD-WBVHZDCISA-N 2 2 330.476 2.288 10 0 EEAELP CC(C)c1ocnc1C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001447380859 1102565627 /nfs/dbraw/zinc/56/56/27/1102565627.db2.gz YLMVNPPOBXIJKT-UHFFFAOYSA-N 2 2 336.480 2.174 10 0 EEAELP CC(C)c1ocnc1C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001447380859 1102565643 /nfs/dbraw/zinc/56/56/43/1102565643.db2.gz YLMVNPPOBXIJKT-UHFFFAOYSA-N 2 2 336.480 2.174 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001497715310 1102955920 /nfs/dbraw/zinc/95/59/20/1102955920.db2.gz UIYBLEKBRUTYKK-AORQRIRUSA-N 2 2 326.391 2.040 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C ZINC001497936540 1103372779 /nfs/dbraw/zinc/37/27/79/1103372779.db2.gz MICVKIWFUCFMSB-ZIAGYGMSSA-N 2 2 344.459 2.200 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C ZINC001497936540 1103372794 /nfs/dbraw/zinc/37/27/94/1103372794.db2.gz MICVKIWFUCFMSB-ZIAGYGMSSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001447924793 1103610372 /nfs/dbraw/zinc/61/03/72/1103610372.db2.gz PGUWNPKURJPUQA-CABCVRRESA-N 2 2 346.450 2.483 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2nc(C)cs2)CC[N@@H+]1C ZINC001448011708 1103793031 /nfs/dbraw/zinc/79/30/31/1103793031.db2.gz ADYDQBRTCAQLCJ-QLFBSQMISA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2nc(C)cs2)CC[N@H+]1C ZINC001448011708 1103793044 /nfs/dbraw/zinc/79/30/44/1103793044.db2.gz ADYDQBRTCAQLCJ-QLFBSQMISA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc2nc(C)cs2)CC[NH+]1C ZINC001448011708 1103793054 /nfs/dbraw/zinc/79/30/54/1103793054.db2.gz ADYDQBRTCAQLCJ-QLFBSQMISA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc2nc(C)cs2)CC[NH+]1C ZINC001448011708 1103793065 /nfs/dbraw/zinc/79/30/65/1103793065.db2.gz ADYDQBRTCAQLCJ-QLFBSQMISA-N 2 2 338.521 2.118 10 0 EEAELP Cc1nc(C[N@@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2C)co1 ZINC001448255377 1104254421 /nfs/dbraw/zinc/25/44/21/1104254421.db2.gz GZHOZUCZTGXNJW-KRWDZBQOSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1nc(C[N@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2C)co1 ZINC001448255377 1104254432 /nfs/dbraw/zinc/25/44/32/1104254432.db2.gz GZHOZUCZTGXNJW-KRWDZBQOSA-N 2 2 345.447 2.049 10 0 EEAELP CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001494685456 1104273146 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2.390 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498457448 1107565614 /nfs/dbraw/zinc/56/56/14/1107565614.db2.gz NOMHQCFQDHNILF-ZDUSSCGKSA-N 2 2 347.463 2.248 10 0 EEAELP C[C@H](C[N@H+](C)[C@H](C)c1nc2ccccc2o1)NC(=O)Cn1cc[nH+]c1 ZINC001498465510 1107583525 /nfs/dbraw/zinc/58/35/25/1107583525.db2.gz IWULLXBMMWZGHP-ZIAGYGMSSA-N 2 2 341.415 2.222 10 0 EEAELP C[C@H](C[N@@H+](C)[C@H](C)c1nc2ccccc2o1)NC(=O)Cn1cc[nH+]c1 ZINC001498465510 1107583533 /nfs/dbraw/zinc/58/35/33/1107583533.db2.gz IWULLXBMMWZGHP-ZIAGYGMSSA-N 2 2 341.415 2.222 10 0 EEAELP Cc1oncc1C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001493382587 1108033616 /nfs/dbraw/zinc/03/36/16/1108033616.db2.gz STWFRICUSDABDY-ROUUACIJSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001493382587 1108033631 /nfs/dbraw/zinc/03/36/31/1108033631.db2.gz STWFRICUSDABDY-ROUUACIJSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC1 ZINC001493382587 1108033645 /nfs/dbraw/zinc/03/36/45/1108033645.db2.gz STWFRICUSDABDY-ROUUACIJSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC001493382587 1108033660 /nfs/dbraw/zinc/03/36/60/1108033660.db2.gz STWFRICUSDABDY-ROUUACIJSA-N 2 2 346.475 2.081 10 0 EEAELP CN(CC[NH2+]C[C@H]1CCCCO1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001493648607 1108455163 /nfs/dbraw/zinc/45/51/63/1108455163.db2.gz PWIBOEKKUDRLDE-GOSISDBHSA-N 2 2 342.443 2.103 10 0 EEAELP CC[C@H](CO)[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001460796068 1110324299 /nfs/dbraw/zinc/32/42/99/1110324299.db2.gz UYWXNROBGRDOIC-MRXNPFEDSA-N 2 2 325.884 2.213 10 0 EEAELP CC[NH+]1CCC(C(=O)NCCc2[nH+]ccn2C)(c2ccccc2)CC1 ZINC001471784087 1110530256 /nfs/dbraw/zinc/53/02/56/1110530256.db2.gz RLFWBYWHXLYUQR-UHFFFAOYSA-N 2 2 340.471 2.133 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001479322443 1110681382 /nfs/dbraw/zinc/68/13/82/1110681382.db2.gz OWJXEEHYFQEYQJ-CBZIJGRNSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)CCc1[nH+]ccn1C ZINC001499839784 1112506903 /nfs/dbraw/zinc/50/69/03/1112506903.db2.gz LACNYOYRRVRXPM-HOTGVXAUSA-N 2 2 338.471 2.462 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001500505488 1112896745 /nfs/dbraw/zinc/89/67/45/1112896745.db2.gz QGXZPTBYUIOPMG-LPHOPBHVSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001500505488 1112896751 /nfs/dbraw/zinc/89/67/51/1112896751.db2.gz QGXZPTBYUIOPMG-LPHOPBHVSA-N 2 2 332.492 2.320 10 0 EEAELP CCC[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCOCC1 ZINC001500576514 1112951605 /nfs/dbraw/zinc/95/16/05/1112951605.db2.gz BMYAYQVLIRBLQL-UHFFFAOYSA-N 2 2 342.443 2.151 10 0 EEAELP CC(C)=CC[NH2+]CC1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001505497559 1114024630 /nfs/dbraw/zinc/02/46/30/1114024630.db2.gz JHDVJWPGEQMJML-JMLCCBQJSA-N 2 2 345.491 2.241 10 0 EEAELP CC(C)=CC[NH2+]CC1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001505497559 1114024632 /nfs/dbraw/zinc/02/46/32/1114024632.db2.gz JHDVJWPGEQMJML-JMLCCBQJSA-N 2 2 345.491 2.241 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1nsc2ccccc12 ZINC001505768681 1114180381 /nfs/dbraw/zinc/18/03/81/1114180381.db2.gz OYAHCIVGRPFZKC-STQMWFEESA-N 2 2 343.456 2.176 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C(Cl)=C\Cl)C(=O)Cn1cc[nH+]c1 ZINC001505850056 1114232480 /nfs/dbraw/zinc/23/24/80/1114232480.db2.gz JOYMLZHNSSHWNI-WUXMJOGZSA-N 2 2 333.263 2.276 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)n1 ZINC001505937252 1114289234 /nfs/dbraw/zinc/28/92/34/1114289234.db2.gz BBAPHMOWCQDHIU-FUHWJXTLSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)n1 ZINC001505937252 1114289236 /nfs/dbraw/zinc/28/92/36/1114289236.db2.gz BBAPHMOWCQDHIU-FUHWJXTLSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001505937252 1114289239 /nfs/dbraw/zinc/28/92/39/1114289239.db2.gz BBAPHMOWCQDHIU-FUHWJXTLSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001505937252 1114289242 /nfs/dbraw/zinc/28/92/42/1114289242.db2.gz BBAPHMOWCQDHIU-FUHWJXTLSA-N 2 2 349.523 2.275 10 0 EEAELP COC[C@H](C)[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001506986242 1115032909 /nfs/dbraw/zinc/03/29/09/1115032909.db2.gz HSJOXTLVNWLCND-DZGCQCFKSA-N 2 2 332.448 2.332 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC=C(Cl)Cl ZINC001507091956 1115103831 /nfs/dbraw/zinc/10/38/31/1115103831.db2.gz LEXRNLWGWAHPCZ-NWDGAFQWSA-N 2 2 345.274 2.201 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(F)c1 ZINC001507094237 1115104777 /nfs/dbraw/zinc/10/47/77/1115104777.db2.gz UDILGDNREMVKAA-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]CCOC2CCC2)CC1 ZINC001568098226 1124301131 /nfs/dbraw/zinc/30/11/31/1124301131.db2.gz ABHAIWOIPPYAPB-UHFFFAOYSA-N 2 2 348.491 2.048 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001568281952 1124402960 /nfs/dbraw/zinc/40/29/60/1124402960.db2.gz ALXYTXAUAUMTGN-AEFFLSMTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001568282828 1124403002 /nfs/dbraw/zinc/40/30/02/1124403002.db2.gz RAHPRSLLFNOQDJ-NEPJUHHUSA-N 2 2 345.274 2.201 10 0 EEAELP C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001568313042 1124416087 /nfs/dbraw/zinc/41/60/87/1124416087.db2.gz UPLHERLKDNFVQG-HNNXBMFYSA-N 2 2 346.450 2.171 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001568393621 1124463903 /nfs/dbraw/zinc/46/39/03/1124463903.db2.gz OVEUILBFSPOGQK-CYBMUJFWSA-N 2 2 332.370 2.265 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001568692109 1124704541 /nfs/dbraw/zinc/70/45/41/1124704541.db2.gz CHJVIIWCUKMPSK-GFCCVEGCSA-N 2 2 333.436 2.057 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]CCc1ccccc1Cl ZINC001568924825 1124953304 /nfs/dbraw/zinc/95/33/04/1124953304.db2.gz KUXORYHKDFLLFF-ARJAWSKDSA-N 2 2 332.835 2.110 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)no1 ZINC001568971561 1125008975 /nfs/dbraw/zinc/00/89/75/1125008975.db2.gz MBRMJXDDQQWIIX-DUMMIQTOSA-N 2 2 348.491 2.256 10 0 EEAELP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090189104 539375345 /nfs/dbraw/zinc/37/53/45/539375345.db2.gz JDQNZBIOYIQPKM-ROUUACIJSA-N 2 2 344.503 2.433 10 0 EEAELP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090189104 539375350 /nfs/dbraw/zinc/37/53/50/539375350.db2.gz JDQNZBIOYIQPKM-ROUUACIJSA-N 2 2 344.503 2.433 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000263256242 283128165 /nfs/dbraw/zinc/12/81/65/283128165.db2.gz QMLAOYPNJQUDKQ-IHRRRGAJSA-N 2 2 343.805 2.199 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000263256242 283128169 /nfs/dbraw/zinc/12/81/69/283128169.db2.gz QMLAOYPNJQUDKQ-IHRRRGAJSA-N 2 2 343.805 2.199 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423084767 240359582 /nfs/dbraw/zinc/35/95/82/240359582.db2.gz IVKPSPKMCIYUCQ-SMOPSLFNSA-N 3 2 349.441 2.148 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@@H+](C2CC2)CC1 ZINC000061605289 201146381 /nfs/dbraw/zinc/14/63/81/201146381.db2.gz LFUGWTLXLJLELL-UHFFFAOYSA-N 2 2 326.444 2.295 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000061605289 201146385 /nfs/dbraw/zinc/14/63/85/201146385.db2.gz LFUGWTLXLJLELL-UHFFFAOYSA-N 2 2 326.444 2.295 10 0 EEAELP Fc1ccccc1C[NH+]1CCC([NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000058308843 201141447 /nfs/dbraw/zinc/14/14/47/201141447.db2.gz NITSMUKMCHIUQE-HNNXBMFYSA-N 2 2 343.450 2.318 10 0 EEAELP [NH3+]CC[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C(F)(F)F ZINC000415989394 239037022 /nfs/dbraw/zinc/03/70/22/239037022.db2.gz AHGQTRSGFINWQK-JTQLQIEISA-N 2 2 349.744 2.067 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422634170 240166520 /nfs/dbraw/zinc/16/65/20/240166520.db2.gz JJAVUMPXKVGYSD-CYBMUJFWSA-N 2 2 337.414 2.312 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422634171 240166786 /nfs/dbraw/zinc/16/67/86/240166786.db2.gz JJAVUMPXKVGYSD-ZDUSSCGKSA-N 2 2 337.414 2.312 10 0 EEAELP FC(F)(F)COc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422879735 240271804 /nfs/dbraw/zinc/27/18/04/240271804.db2.gz KXUDKANSENIESC-HZPDHXFCSA-N 2 2 344.377 2.484 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1c[nH+]ccc1N ZINC000422996743 240324644 /nfs/dbraw/zinc/32/46/44/240324644.db2.gz UGMBAFAGHKMUFH-GHMZBOCLSA-N 2 2 332.354 2.228 10 0 EEAELP COc1ccc([C@H]([NH2+]CCc2nnc(C)s2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423128379 240376093 /nfs/dbraw/zinc/37/60/93/240376093.db2.gz VVCNDUAZKJAVLO-RDJZCZTQSA-N 2 2 332.473 2.481 10 0 EEAELP Fc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000423140968 240381138 /nfs/dbraw/zinc/38/11/38/240381138.db2.gz ZYFJJCIBWKXAAL-LSDHHAIUSA-N 2 2 330.350 2.284 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)C[N@H+](Cc2ccccc2)C1 ZINC000425355707 241137420 /nfs/dbraw/zinc/13/74/20/241137420.db2.gz PBCUJIRHHRSJJM-NEWSRXKRSA-N 2 2 329.488 2.355 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000425355707 241137427 /nfs/dbraw/zinc/13/74/27/241137427.db2.gz PBCUJIRHHRSJJM-NEWSRXKRSA-N 2 2 329.488 2.355 10 0 EEAELP C[NH+](C)C1(CNC(=O)NCCc2[nH+]ccn2C(F)F)CCCCC1 ZINC000069583892 203022385 /nfs/dbraw/zinc/02/23/85/203022385.db2.gz HDTKHUJVTQYEQX-UHFFFAOYSA-N 2 2 343.422 2.384 10 0 EEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000070012350 203070149 /nfs/dbraw/zinc/07/01/49/203070149.db2.gz RRLDDVNOTAJCPV-QGZVFWFLSA-N 2 2 335.411 2.379 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000459155261 245013779 /nfs/dbraw/zinc/01/37/79/245013779.db2.gz VIUJBAVKMNZBPX-UHFFFAOYSA-N 2 2 344.463 2.061 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)nc1C1CC1 ZINC000459550279 245163345 /nfs/dbraw/zinc/16/33/45/245163345.db2.gz HWLSAYGIQACZME-UHFFFAOYSA-N 2 2 329.444 2.462 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)[C@H](Cc3ccccc3)[NH+](C)C)cn21 ZINC000109702365 204290127 /nfs/dbraw/zinc/29/01/27/204290127.db2.gz GUOVEVJIXBVEMG-SFHVURJKSA-N 2 2 336.439 2.432 10 0 EEAELP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(Br)c1O ZINC000044527775 204301852 /nfs/dbraw/zinc/30/18/52/204301852.db2.gz VFXZFJIKHJPLJD-JTQLQIEISA-N 2 2 329.238 2.334 10 0 EEAELP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(Br)c1O ZINC000044527775 204301855 /nfs/dbraw/zinc/30/18/55/204301855.db2.gz VFXZFJIKHJPLJD-JTQLQIEISA-N 2 2 329.238 2.334 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263733796 245597535 /nfs/dbraw/zinc/59/75/35/245597535.db2.gz CKXXLLNMMXTPQC-UHFFFAOYSA-N 2 2 328.420 2.196 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267483255 256063118 /nfs/dbraw/zinc/06/31/18/256063118.db2.gz KGLJCRQNCIRKOL-KRWDZBQOSA-N 2 2 345.443 2.175 10 0 EEAELP C[NH+]1CCC(CNC(=O)CCc2ccco2)([NH+]2CCCCC2)CC1 ZINC000172752405 152114901 /nfs/dbraw/zinc/11/49/01/152114901.db2.gz JPCNPMMGYHTRMH-UHFFFAOYSA-N 2 2 333.476 2.279 10 0 EEAELP CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357725168 153308120 /nfs/dbraw/zinc/30/81/20/153308120.db2.gz DMZRQGLTVVLSRR-LBPRGKRZSA-N 2 2 349.401 2.365 10 0 EEAELP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357725168 153308124 /nfs/dbraw/zinc/30/81/24/153308124.db2.gz DMZRQGLTVVLSRR-LBPRGKRZSA-N 2 2 349.401 2.365 10 0 EEAELP CCO[C@H]1C[C@](O)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000189431587 160141335 /nfs/dbraw/zinc/14/13/35/160141335.db2.gz AFCCTLWRUJZRRN-ICSRJNTNSA-N 2 2 347.503 2.202 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192753397 160172917 /nfs/dbraw/zinc/17/29/17/160172917.db2.gz ORHGIUKTNXDCSR-IBGZPJMESA-N 3 2 333.524 2.072 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192753397 160172919 /nfs/dbraw/zinc/17/29/19/160172919.db2.gz ORHGIUKTNXDCSR-IBGZPJMESA-N 3 2 333.524 2.072 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000246256666 160270930 /nfs/dbraw/zinc/27/09/30/160270930.db2.gz QAYWQYRKCUDVAD-PZJWPPBQSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000246256666 160270932 /nfs/dbraw/zinc/27/09/32/160270932.db2.gz QAYWQYRKCUDVAD-PZJWPPBQSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000246256666 160270934 /nfs/dbraw/zinc/27/09/34/160270934.db2.gz QAYWQYRKCUDVAD-PZJWPPBQSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000246256666 160270935 /nfs/dbraw/zinc/27/09/35/160270935.db2.gz QAYWQYRKCUDVAD-PZJWPPBQSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247301072 160319526 /nfs/dbraw/zinc/31/95/26/160319526.db2.gz FJSDVVKBNUSDSC-WMLDXEAASA-N 2 2 330.407 2.222 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247301072 160319528 /nfs/dbraw/zinc/31/95/28/160319528.db2.gz FJSDVVKBNUSDSC-WMLDXEAASA-N 2 2 330.407 2.222 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247496394 160326167 /nfs/dbraw/zinc/32/61/67/160326167.db2.gz XFZPIXCMVYRIPS-PBHICJAKSA-N 2 2 343.475 2.373 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247496394 160326168 /nfs/dbraw/zinc/32/61/68/160326168.db2.gz XFZPIXCMVYRIPS-PBHICJAKSA-N 2 2 343.475 2.373 10 0 EEAELP CSc1nnc(CCC[NH2+][C@H]2C[N@H+](C)C[C@H]2C)n1CC(C)C ZINC000344396318 161223261 /nfs/dbraw/zinc/22/32/61/161223261.db2.gz WYIUKTKKFKTMSD-KGLIPLIRSA-N 2 2 325.526 2.128 10 0 EEAELP CSc1nnc(CCC[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)n1CC(C)C ZINC000344396318 161223262 /nfs/dbraw/zinc/22/32/62/161223262.db2.gz WYIUKTKKFKTMSD-KGLIPLIRSA-N 2 2 325.526 2.128 10 0 EEAELP C[NH+](C)CC1CCN(c2ccccc2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000352086833 162062717 /nfs/dbraw/zinc/06/27/17/162062717.db2.gz PVXPTEWUFXGSFJ-UHFFFAOYSA-N 2 2 341.459 2.300 10 0 EEAELP Cc1ccc(CCCNc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c[nH+]1 ZINC000355109438 163084597 /nfs/dbraw/zinc/08/45/97/163084597.db2.gz FGHVSWTZOAKAFI-UHFFFAOYSA-N 2 2 338.455 2.278 10 0 EEAELP Cc1ccc(CCCNc2ccc3c(c2)C[N@H+](CC(N)=O)CC3)c[nH+]1 ZINC000355109438 163084598 /nfs/dbraw/zinc/08/45/98/163084598.db2.gz FGHVSWTZOAKAFI-UHFFFAOYSA-N 2 2 338.455 2.278 10 0 EEAELP CC[C@@H]1COCC[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000360747883 164374026 /nfs/dbraw/zinc/37/40/26/164374026.db2.gz PSRVUUDAZSITOU-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP CC[C@@H]1COCC[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000360747883 164374027 /nfs/dbraw/zinc/37/40/27/164374027.db2.gz PSRVUUDAZSITOU-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364957110 165332985 /nfs/dbraw/zinc/33/29/85/165332985.db2.gz XXNUCHKXGNIXRF-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC000364957110 165332987 /nfs/dbraw/zinc/33/29/87/165332987.db2.gz XXNUCHKXGNIXRF-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP Cn1nccc1C[NH+]1CCCC2(CCC[N@@H+](Cc3ccnn3C)C2)C1 ZINC000289539744 275125587 /nfs/dbraw/zinc/12/55/87/275125587.db2.gz SWHUFMWTDAXPIG-UHFFFAOYSA-N 2 2 342.491 2.032 10 0 EEAELP Cn1nccc1C[NH+]1CCCC2(CCC[N@H+](Cc3ccnn3C)C2)C1 ZINC000289539744 275125588 /nfs/dbraw/zinc/12/55/88/275125588.db2.gz SWHUFMWTDAXPIG-UHFFFAOYSA-N 2 2 342.491 2.032 10 0 EEAELP CCO[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)C12CCOCC2 ZINC000170082832 276488521 /nfs/dbraw/zinc/48/85/21/276488521.db2.gz YYGNSPYLSLNUTJ-SJORKVTESA-N 2 2 329.444 2.441 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089594354 277136569 /nfs/dbraw/zinc/13/65/69/277136569.db2.gz MMWQETGDOZLOLL-CVEARBPZSA-N 2 2 347.850 2.281 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089594354 277136571 /nfs/dbraw/zinc/13/65/71/277136571.db2.gz MMWQETGDOZLOLL-CVEARBPZSA-N 2 2 347.850 2.281 10 0 EEAELP C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000177456472 278198961 /nfs/dbraw/zinc/19/89/61/278198961.db2.gz UQGKDXLOEVHNPL-IAGOWNOFSA-N 2 2 333.480 2.178 10 0 EEAELP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000339939602 279116472 /nfs/dbraw/zinc/11/64/72/279116472.db2.gz FLOPVIMHGRYMSH-OAHLLOKOSA-N 2 2 333.480 2.080 10 0 EEAELP C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@@H+](C2CCC2)C1 ZINC000293798650 293298464 /nfs/dbraw/zinc/29/84/64/293298464.db2.gz XJYYQKIOECJGPB-OAHLLOKOSA-N 2 2 339.443 2.214 10 0 EEAELP C[C@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@H+](C2CCC2)C1 ZINC000293798650 293298466 /nfs/dbraw/zinc/29/84/66/293298466.db2.gz XJYYQKIOECJGPB-OAHLLOKOSA-N 2 2 339.443 2.214 10 0 EEAELP C[C@@H]1CN(c2ccc(CNc3nc(N(C)C)cc[nH+]3)c[nH+]2)C[C@@H](C)O1 ZINC000301746425 294889478 /nfs/dbraw/zinc/88/94/78/294889478.db2.gz YBQCYQRGWDFQCG-ZIAGYGMSSA-N 2 2 342.447 2.163 10 0 EEAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000333374693 312137486 /nfs/dbraw/zinc/13/74/86/312137486.db2.gz DQVNDFOBTKDXOE-MRXNPFEDSA-N 2 2 346.475 2.050 10 0 EEAELP CN(C)c1[nH+]cccc1O[C@@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000333374693 312137489 /nfs/dbraw/zinc/13/74/89/312137489.db2.gz DQVNDFOBTKDXOE-MRXNPFEDSA-N 2 2 346.475 2.050 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@H]3CCCC[NH2+]C3)c[nH+]2)CC1 ZINC000333903883 312212213 /nfs/dbraw/zinc/21/22/13/312212213.db2.gz JGPNADXLXNODNQ-KRWDZBQOSA-N 2 2 345.491 2.259 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000412156324 312623650 /nfs/dbraw/zinc/62/36/50/312623650.db2.gz FLJHRVMXONJZKH-HKUYNNGSSA-N 2 2 333.451 2.014 10 0 EEAELP CC(C)[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1nnc2ccccn21 ZINC000414349345 313002061 /nfs/dbraw/zinc/00/20/61/313002061.db2.gz SOVSLYOVDDKINZ-HNNXBMFYSA-N 2 2 327.436 2.016 10 0 EEAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000414455542 313024071 /nfs/dbraw/zinc/02/40/71/313024071.db2.gz HRNAQJMBGHVLQC-IBGZPJMESA-N 2 2 346.450 2.256 10 0 EEAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000414455542 313024074 /nfs/dbraw/zinc/02/40/74/313024074.db2.gz HRNAQJMBGHVLQC-IBGZPJMESA-N 2 2 346.450 2.256 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414746187 313075556 /nfs/dbraw/zinc/07/55/56/313075556.db2.gz QKMWTMWWOLBYAM-ZDUSSCGKSA-N 2 2 337.430 2.497 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414746187 313075559 /nfs/dbraw/zinc/07/55/59/313075559.db2.gz QKMWTMWWOLBYAM-ZDUSSCGKSA-N 2 2 337.430 2.497 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+]CC[NH2+]C1CCCCCC1 ZINC000414802525 313093530 /nfs/dbraw/zinc/09/35/30/313093530.db2.gz IEQITKBVRWPUCI-UHFFFAOYSA-N 2 2 329.444 2.185 10 0 EEAELP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000416941109 313367753 /nfs/dbraw/zinc/36/77/53/313367753.db2.gz QDHHNRKSHCXECS-VXGBXAGGSA-N 2 2 335.839 2.257 10 0 EEAELP C[NH2+]CCCNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000417908391 313645219 /nfs/dbraw/zinc/64/52/19/313645219.db2.gz BHUBOYQLTFBCDV-KRWDZBQOSA-N 2 2 329.448 2.150 10 0 EEAELP CN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000561215566 318832612 /nfs/dbraw/zinc/83/26/12/318832612.db2.gz DHDIEORSEXYPEI-CVEARBPZSA-N 2 2 327.432 2.283 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000563464269 319013786 /nfs/dbraw/zinc/01/37/86/319013786.db2.gz YMBCQFGJVRBRFO-VKJFTORMSA-N 2 2 346.475 2.199 10 0 EEAELP c1ncc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000564300284 319076462 /nfs/dbraw/zinc/07/64/62/319076462.db2.gz BLSKYTCHFBEXJX-QAETUUGQSA-N 2 2 333.526 2.461 10 0 EEAELP c1ncc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000564300284 319076463 /nfs/dbraw/zinc/07/64/63/319076463.db2.gz BLSKYTCHFBEXJX-QAETUUGQSA-N 2 2 333.526 2.461 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000564323295 319078297 /nfs/dbraw/zinc/07/82/97/319078297.db2.gz HVVLOKXTTOHUTQ-LPHOPBHVSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000564323295 319078299 /nfs/dbraw/zinc/07/82/99/319078299.db2.gz HVVLOKXTTOHUTQ-LPHOPBHVSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000564323295 319078302 /nfs/dbraw/zinc/07/83/02/319078302.db2.gz HVVLOKXTTOHUTQ-LPHOPBHVSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000564323295 319078304 /nfs/dbraw/zinc/07/83/04/319078304.db2.gz HVVLOKXTTOHUTQ-LPHOPBHVSA-N 3 2 325.460 2.492 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566243184 319264316 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2.080 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726946 450574092 /nfs/dbraw/zinc/57/40/92/450574092.db2.gz HOZGDGUTCOOEPP-LSDHHAIUSA-N 2 2 348.495 2.102 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726946 450574093 /nfs/dbraw/zinc/57/40/93/450574093.db2.gz HOZGDGUTCOOEPP-LSDHHAIUSA-N 2 2 348.495 2.102 10 0 EEAELP c1cncc(C[N@H+](Cc2cccc3c2OCO3)C[C@H]2CC[NH2+]C2)c1 ZINC000328637441 465083101 /nfs/dbraw/zinc/08/31/01/465083101.db2.gz OPXIXSKBBCVNTR-INIZCTEOSA-N 2 2 325.412 2.422 10 0 EEAELP c1cncc(C[N@@H+](Cc2cccc3c2OCO3)C[C@H]2CC[NH2+]C2)c1 ZINC000328637441 465083107 /nfs/dbraw/zinc/08/31/07/465083107.db2.gz OPXIXSKBBCVNTR-INIZCTEOSA-N 2 2 325.412 2.422 10 0 EEAELP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337024558 465153295 /nfs/dbraw/zinc/15/32/95/465153295.db2.gz BPJGFLRNZOXMAK-JKSUJKDBSA-N 2 2 347.507 2.449 10 0 EEAELP CC[C@@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339287882 465190062 /nfs/dbraw/zinc/19/00/62/465190062.db2.gz RTRPGOPAFZVSPV-ROUUACIJSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339287882 465190069 /nfs/dbraw/zinc/19/00/69/465190069.db2.gz RTRPGOPAFZVSPV-ROUUACIJSA-N 2 2 339.524 2.114 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000358661858 465249102 /nfs/dbraw/zinc/24/91/02/465249102.db2.gz IFBPZVTZBLAAGM-DLBZAZTESA-N 2 2 331.464 2.128 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000358661858 465249106 /nfs/dbraw/zinc/24/91/06/465249106.db2.gz IFBPZVTZBLAAGM-DLBZAZTESA-N 2 2 331.464 2.128 10 0 EEAELP CCCCNc1cc(N2CCC(C[NH+]3CCCC3)CC2)nc(N)[nH+]1 ZINC000341730830 465256682 /nfs/dbraw/zinc/25/66/82/465256682.db2.gz OFIJNUWNQVJOBE-UHFFFAOYSA-N 2 2 332.496 2.583 10 0 EEAELP CCCCNc1cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]c(N)n1 ZINC000341730830 465256685 /nfs/dbraw/zinc/25/66/85/465256685.db2.gz OFIJNUWNQVJOBE-UHFFFAOYSA-N 2 2 332.496 2.583 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123448374 463342463 /nfs/dbraw/zinc/34/24/63/463342463.db2.gz OGMCPIHLBFEJJA-RHSMWYFYSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123448374 463342465 /nfs/dbraw/zinc/34/24/65/463342465.db2.gz OGMCPIHLBFEJJA-RHSMWYFYSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123448374 463342467 /nfs/dbraw/zinc/34/24/67/463342467.db2.gz OGMCPIHLBFEJJA-RHSMWYFYSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123448374 463342468 /nfs/dbraw/zinc/34/24/68/463342468.db2.gz OGMCPIHLBFEJJA-RHSMWYFYSA-N 2 2 337.895 2.413 10 0 EEAELP CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000579386117 468353354 /nfs/dbraw/zinc/35/33/54/468353354.db2.gz GZLNFJZGCFGIKC-ZDUSSCGKSA-N 2 2 339.486 2.190 10 0 EEAELP CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000579386117 468353359 /nfs/dbraw/zinc/35/33/59/468353359.db2.gz GZLNFJZGCFGIKC-ZDUSSCGKSA-N 2 2 339.486 2.190 10 0 EEAELP COCc1nc(C)cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000080701066 463348756 /nfs/dbraw/zinc/34/87/56/463348756.db2.gz MMDFQYNYUKRYBC-UHFFFAOYSA-N 2 2 347.507 2.294 10 0 EEAELP CCC[C@H](C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)[NH+](C)C ZINC000162160358 463488804 /nfs/dbraw/zinc/48/88/04/463488804.db2.gz PGVNZSUFXQZTSM-CABCVRRESA-N 2 2 327.419 2.414 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000579489047 468366514 /nfs/dbraw/zinc/36/65/14/468366514.db2.gz GUMWUIUGVYJOBS-IAGOWNOFSA-N 2 2 326.868 2.320 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000579489047 468366518 /nfs/dbraw/zinc/36/65/18/468366518.db2.gz GUMWUIUGVYJOBS-IAGOWNOFSA-N 2 2 326.868 2.320 10 0 EEAELP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2C[NH+]2CCOCC2)c1C ZINC000110031461 463655065 /nfs/dbraw/zinc/65/50/65/463655065.db2.gz TZBDJMUOBIGSIH-QGZVFWFLSA-N 2 2 333.476 2.394 10 0 EEAELP C[C@H]1C[NH+](Cc2cccc(NC(=O)Cn3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000073849392 463662230 /nfs/dbraw/zinc/66/22/30/463662230.db2.gz UTCUWISJHKXJEH-GJZGRUSLSA-N 2 2 328.416 2.131 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152426714 463688592 /nfs/dbraw/zinc/68/85/92/463688592.db2.gz GMGMUOXHGXARLI-BZUAXINKSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000152426714 463688595 /nfs/dbraw/zinc/68/85/95/463688595.db2.gz GMGMUOXHGXARLI-BZUAXINKSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152426714 463688597 /nfs/dbraw/zinc/68/85/97/463688597.db2.gz GMGMUOXHGXARLI-BZUAXINKSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152426714 463688600 /nfs/dbraw/zinc/68/86/00/463688600.db2.gz GMGMUOXHGXARLI-BZUAXINKSA-N 2 2 339.842 2.435 10 0 EEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000193692466 463728687 /nfs/dbraw/zinc/72/86/87/463728687.db2.gz WJQRSBACNAQANK-LSDHHAIUSA-N 2 2 349.475 2.495 10 0 EEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000193692466 463728694 /nfs/dbraw/zinc/72/86/94/463728694.db2.gz WJQRSBACNAQANK-LSDHHAIUSA-N 2 2 349.475 2.495 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262098335 463945451 /nfs/dbraw/zinc/94/54/51/463945451.db2.gz CAAUXEABOOXYIG-XHSDSOJGSA-N 2 2 339.842 2.483 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262098335 463945457 /nfs/dbraw/zinc/94/54/57/463945457.db2.gz CAAUXEABOOXYIG-XHSDSOJGSA-N 2 2 339.842 2.483 10 0 EEAELP Cc1cc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)no1 ZINC000284002201 464064142 /nfs/dbraw/zinc/06/41/42/464064142.db2.gz JTPMCAFEEKRJTJ-QAPCUYQASA-N 2 2 328.416 2.347 10 0 EEAELP Cc1cc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)no1 ZINC000284002201 464064148 /nfs/dbraw/zinc/06/41/48/464064148.db2.gz JTPMCAFEEKRJTJ-QAPCUYQASA-N 2 2 328.416 2.347 10 0 EEAELP OC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284004935 464065359 /nfs/dbraw/zinc/06/53/59/464065359.db2.gz GWSXPRCIIUKWTB-JIRNRHONSA-N 2 2 330.472 2.265 10 0 EEAELP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000284004935 464065364 /nfs/dbraw/zinc/06/53/64/464065364.db2.gz GWSXPRCIIUKWTB-JIRNRHONSA-N 2 2 330.472 2.265 10 0 EEAELP OC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284004935 464065368 /nfs/dbraw/zinc/06/53/68/464065368.db2.gz GWSXPRCIIUKWTB-JIRNRHONSA-N 2 2 330.472 2.265 10 0 EEAELP OC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284004935 464065376 /nfs/dbraw/zinc/06/53/76/464065376.db2.gz GWSXPRCIIUKWTB-JIRNRHONSA-N 2 2 330.472 2.265 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292270455 464181364 /nfs/dbraw/zinc/18/13/64/464181364.db2.gz ZNHMHXBKZZPVJZ-HNAYVOBHSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292270455 464181367 /nfs/dbraw/zinc/18/13/67/464181367.db2.gz ZNHMHXBKZZPVJZ-HNAYVOBHSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292270455 464181370 /nfs/dbraw/zinc/18/13/70/464181370.db2.gz ZNHMHXBKZZPVJZ-HNAYVOBHSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292270455 464181373 /nfs/dbraw/zinc/18/13/73/464181373.db2.gz ZNHMHXBKZZPVJZ-HNAYVOBHSA-N 2 2 333.451 2.373 10 0 EEAELP COc1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)ccc1O ZINC000180078325 464237463 /nfs/dbraw/zinc/23/74/63/464237463.db2.gz NBBJELKXUACESL-UHFFFAOYSA-N 2 2 344.459 2.194 10 0 EEAELP COc1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)ccc1O ZINC000180078325 464237467 /nfs/dbraw/zinc/23/74/67/464237467.db2.gz NBBJELKXUACESL-UHFFFAOYSA-N 2 2 344.459 2.194 10 0 EEAELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000173839250 464320823 /nfs/dbraw/zinc/32/08/23/464320823.db2.gz ZGAVWZVUWOATTF-HNNXBMFYSA-N 2 2 333.480 2.021 10 0 EEAELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000173839250 464320829 /nfs/dbraw/zinc/32/08/29/464320829.db2.gz ZGAVWZVUWOATTF-HNNXBMFYSA-N 2 2 333.480 2.021 10 0 EEAELP CC(C)C[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784799 464394635 /nfs/dbraw/zinc/39/46/35/464394635.db2.gz PSPRMSQBKFXHSJ-SJORKVTESA-N 2 2 347.507 2.306 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237993791 464416577 /nfs/dbraw/zinc/41/65/77/464416577.db2.gz PMPRFFOXGYRQMY-XIRDDKMYSA-N 2 2 328.460 2.087 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246430853 464583516 /nfs/dbraw/zinc/58/35/16/464583516.db2.gz COYMNIXMQRUHIJ-QFBILLFUSA-N 2 2 329.488 2.233 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246430853 464583522 /nfs/dbraw/zinc/58/35/22/464583522.db2.gz COYMNIXMQRUHIJ-QFBILLFUSA-N 2 2 329.488 2.233 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246430853 464583525 /nfs/dbraw/zinc/58/35/25/464583525.db2.gz COYMNIXMQRUHIJ-QFBILLFUSA-N 2 2 329.488 2.233 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246430853 464583529 /nfs/dbraw/zinc/58/35/29/464583529.db2.gz COYMNIXMQRUHIJ-QFBILLFUSA-N 2 2 329.488 2.233 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285809227 464704440 /nfs/dbraw/zinc/70/44/40/464704440.db2.gz RMLOLLGWXDUGMS-KRWDZBQOSA-N 2 2 338.455 2.147 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000285809227 464704443 /nfs/dbraw/zinc/70/44/43/464704443.db2.gz RMLOLLGWXDUGMS-KRWDZBQOSA-N 2 2 338.455 2.147 10 0 EEAELP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248647382 464779826 /nfs/dbraw/zinc/77/98/26/464779826.db2.gz IJIUYFGEKCJCPL-AEFFLSMTSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248647382 464779837 /nfs/dbraw/zinc/77/98/37/464779837.db2.gz IJIUYFGEKCJCPL-AEFFLSMTSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248647382 464779842 /nfs/dbraw/zinc/77/98/42/464779842.db2.gz IJIUYFGEKCJCPL-AEFFLSMTSA-N 2 2 332.492 2.140 10 0 EEAELP C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000183334929 464851694 /nfs/dbraw/zinc/85/16/94/464851694.db2.gz VMEZAPNSQOJNOU-HNNXBMFYSA-N 2 2 338.455 2.324 10 0 EEAELP C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000183334929 464851700 /nfs/dbraw/zinc/85/17/00/464851700.db2.gz VMEZAPNSQOJNOU-HNNXBMFYSA-N 2 2 338.455 2.324 10 0 EEAELP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)nc(-c2ccncc2)n1 ZINC000176816229 464857764 /nfs/dbraw/zinc/85/77/64/464857764.db2.gz MBHDKRJJNWZZPX-UHFFFAOYSA-N 2 2 340.475 2.285 10 0 EEAELP C[NH+](C)Cc1ccnc(NC(=O)[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000176905972 464883131 /nfs/dbraw/zinc/88/31/31/464883131.db2.gz WICBYHPCOCAIMM-KRWDZBQOSA-N 2 2 326.444 2.255 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000344615339 465723456 /nfs/dbraw/zinc/72/34/56/465723456.db2.gz FWFDFIYXRBWVLQ-FZMZJTMJSA-N 2 2 325.840 2.217 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000344615339 465723464 /nfs/dbraw/zinc/72/34/64/465723464.db2.gz FWFDFIYXRBWVLQ-FZMZJTMJSA-N 2 2 325.840 2.217 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000348695430 465746156 /nfs/dbraw/zinc/74/61/56/465746156.db2.gz JQKQWTWIVOZCSJ-LSTHTHJFSA-N 2 2 325.456 2.410 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000348695430 465746161 /nfs/dbraw/zinc/74/61/61/465746161.db2.gz JQKQWTWIVOZCSJ-LSTHTHJFSA-N 2 2 325.456 2.410 10 0 EEAELP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000362805305 466040741 /nfs/dbraw/zinc/04/07/41/466040741.db2.gz JLKOCERARIQEKN-GOSISDBHSA-N 2 2 347.890 2.326 10 0 EEAELP COc1c[nH+]ccc1N1CCN(Cc2cn3c(cccc3C)[nH+]2)CC1 ZINC000361520869 466069000 /nfs/dbraw/zinc/06/90/00/466069000.db2.gz WKMZRUVENGUVBQ-UHFFFAOYSA-N 2 2 337.427 2.369 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cn3c(cccc3C)n2)CC1 ZINC000361520869 466069007 /nfs/dbraw/zinc/06/90/07/466069007.db2.gz WKMZRUVENGUVBQ-UHFFFAOYSA-N 2 2 337.427 2.369 10 0 EEAELP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000597173740 468471038 /nfs/dbraw/zinc/47/10/38/468471038.db2.gz PJQVCVNMOOBWRP-OAHLLOKOSA-N 2 2 336.480 2.025 10 0 EEAELP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000597173740 468471043 /nfs/dbraw/zinc/47/10/43/468471043.db2.gz PJQVCVNMOOBWRP-OAHLLOKOSA-N 2 2 336.480 2.025 10 0 EEAELP CCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3C(N)=O)CC2)s1 ZINC000302222646 466123806 /nfs/dbraw/zinc/12/38/06/466123806.db2.gz NBZABSYPCIZTIR-UHFFFAOYSA-N 2 2 330.457 2.127 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357829669 466245476 /nfs/dbraw/zinc/24/54/76/466245476.db2.gz LLTCPVQEZWBYLA-OWCLPIDISA-N 2 2 347.507 2.324 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357829669 466245486 /nfs/dbraw/zinc/24/54/86/466245486.db2.gz LLTCPVQEZWBYLA-OWCLPIDISA-N 2 2 347.507 2.324 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357829669 466245497 /nfs/dbraw/zinc/24/54/97/466245497.db2.gz LLTCPVQEZWBYLA-OWCLPIDISA-N 2 2 347.507 2.324 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357829669 466245508 /nfs/dbraw/zinc/24/55/08/466245508.db2.gz LLTCPVQEZWBYLA-OWCLPIDISA-N 2 2 347.507 2.324 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC34CCOCC4)c2cc1C ZINC000372254302 466252167 /nfs/dbraw/zinc/25/21/67/466252167.db2.gz FHUWNPVWWBTOOS-MRXNPFEDSA-N 2 2 329.444 2.269 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC34CCOCC4)c2cc1C ZINC000372254302 466252173 /nfs/dbraw/zinc/25/21/73/466252173.db2.gz FHUWNPVWWBTOOS-MRXNPFEDSA-N 2 2 329.444 2.269 10 0 EEAELP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000372393470 466349367 /nfs/dbraw/zinc/34/93/67/466349367.db2.gz GJNJSPCSXRWWJL-HNNXBMFYSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000372393470 466349375 /nfs/dbraw/zinc/34/93/75/466349375.db2.gz GJNJSPCSXRWWJL-HNNXBMFYSA-N 2 2 332.492 2.438 10 0 EEAELP Cc1nc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)oc1C ZINC000363330325 466349631 /nfs/dbraw/zinc/34/96/31/466349631.db2.gz BAPZPTOUXFHPNN-XYPWUTKMSA-N 2 2 347.463 2.066 10 0 EEAELP Cc1nc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)oc1C ZINC000363330325 466349634 /nfs/dbraw/zinc/34/96/34/466349634.db2.gz BAPZPTOUXFHPNN-XYPWUTKMSA-N 2 2 347.463 2.066 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000338758249 466360039 /nfs/dbraw/zinc/36/00/39/466360039.db2.gz PARLZMZZHDVOEA-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000338758249 466360043 /nfs/dbraw/zinc/36/00/43/466360043.db2.gz PARLZMZZHDVOEA-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000354331257 466481543 /nfs/dbraw/zinc/48/15/43/466481543.db2.gz CJAQUFNBPMLBSY-QGZVFWFLSA-N 2 2 328.460 2.381 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000354331257 466481550 /nfs/dbraw/zinc/48/15/50/466481550.db2.gz CJAQUFNBPMLBSY-QGZVFWFLSA-N 2 2 328.460 2.381 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000312513993 466532117 /nfs/dbraw/zinc/53/21/17/466532117.db2.gz HFXPDIQSBALWHJ-DOMZBBRYSA-N 2 2 345.281 2.039 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000312513993 466532119 /nfs/dbraw/zinc/53/21/19/466532119.db2.gz HFXPDIQSBALWHJ-DOMZBBRYSA-N 2 2 345.281 2.039 10 0 EEAELP Cc1ccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ncccn3)CC2)c[nH+]1 ZINC000363673388 466551217 /nfs/dbraw/zinc/55/12/17/466551217.db2.gz PJQFCCQOHISIBD-AWEZNQCLSA-N 2 2 325.416 2.387 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000339004727 466562841 /nfs/dbraw/zinc/56/28/41/466562841.db2.gz FBMIXUKJUWANLF-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000339004727 466562846 /nfs/dbraw/zinc/56/28/46/466562846.db2.gz FBMIXUKJUWANLF-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1c[nH+]ccc1N ZINC000423027438 466689891 /nfs/dbraw/zinc/68/98/91/466689891.db2.gz OZMWDTUBVSLUTB-HIFRSBDPSA-N 3 2 326.448 2.203 10 0 EEAELP COCC[NH2+]CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423335921 466722297 /nfs/dbraw/zinc/72/22/97/466722297.db2.gz QBNIANMLESZUGJ-CQSZACIVSA-N 2 2 343.265 2.488 10 0 EEAELP CN1C(=O)CCc2cc(C[NH2+]Cc3ccnc(-n4cc[nH+]c4)c3)ccc21 ZINC000370420011 466871652 /nfs/dbraw/zinc/87/16/52/466871652.db2.gz CNCJRRBESBPLJF-UHFFFAOYSA-N 2 2 347.422 2.466 10 0 EEAELP C[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417916657 466984489 /nfs/dbraw/zinc/98/44/89/466984489.db2.gz AAMGVYINAXGKMF-GJZGRUSLSA-N 2 2 342.846 2.133 10 0 EEAELP C[NH2+]CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417916657 466984492 /nfs/dbraw/zinc/98/44/92/466984492.db2.gz AAMGVYINAXGKMF-GJZGRUSLSA-N 2 2 342.846 2.133 10 0 EEAELP CO[C@H]1C[C@H]2C[C@@H](Nc3ccc(N4CC[NH+](C)CC4)c[nH+]3)C[C@H]2C1 ZINC000424286989 467021614 /nfs/dbraw/zinc/02/16/14/467021614.db2.gz QXURNYYVDDBUCU-OMPZMXGASA-N 2 2 330.476 2.449 10 0 EEAELP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000418461484 467114085 /nfs/dbraw/zinc/11/40/85/467114085.db2.gz LVSBOPPJFZHXIS-OAHLLOKOSA-N 2 2 342.443 2.327 10 0 EEAELP CCOc1c(OC)cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000377779865 467139138 /nfs/dbraw/zinc/13/91/38/467139138.db2.gz LCXNCQVJVJIBKI-CYBMUJFWSA-N 2 2 331.416 2.473 10 0 EEAELP CCOc1c(OC)cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000377779865 467139142 /nfs/dbraw/zinc/13/91/42/467139142.db2.gz LCXNCQVJVJIBKI-CYBMUJFWSA-N 2 2 331.416 2.473 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000418706605 467148286 /nfs/dbraw/zinc/14/82/86/467148286.db2.gz FOECCUKGOPRRLI-KBPBESRZSA-N 2 2 338.883 2.466 10 0 EEAELP C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000435053031 467442724 /nfs/dbraw/zinc/44/27/24/467442724.db2.gz LOSFKVKFNHAIAJ-UHFFFAOYSA-N 2 2 334.489 2.476 10 0 EEAELP C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000435053031 467442728 /nfs/dbraw/zinc/44/27/28/467442728.db2.gz LOSFKVKFNHAIAJ-UHFFFAOYSA-N 2 2 334.489 2.476 10 0 EEAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000415070440 467481772 /nfs/dbraw/zinc/48/17/72/467481772.db2.gz UZXMFSICHJPNLK-SFHVURJKSA-N 2 2 337.423 2.135 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000454999598 467628878 /nfs/dbraw/zinc/62/88/78/467628878.db2.gz QNHSUSZLRDTLBW-UHFFFAOYSA-N 2 2 335.496 2.462 10 0 EEAELP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457521480 467641639 /nfs/dbraw/zinc/64/16/39/467641639.db2.gz GLLAMUDDLHVFDF-UHFFFAOYSA-N 2 2 343.475 2.304 10 0 EEAELP C[C@@H](CC(F)(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000457672728 467675264 /nfs/dbraw/zinc/67/52/64/467675264.db2.gz PIVQOTFIVIREJT-RDGKXADDSA-N 2 2 347.425 2.344 10 0 EEAELP C[C@@H](CC(F)(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000457672728 467675268 /nfs/dbraw/zinc/67/52/68/467675268.db2.gz PIVQOTFIVIREJT-RDGKXADDSA-N 2 2 347.425 2.344 10 0 EEAELP CO[C@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)c1ccc(F)cc1 ZINC000528516025 467693170 /nfs/dbraw/zinc/69/31/70/467693170.db2.gz IULOCNGKIMEGST-GOSISDBHSA-N 2 2 336.451 2.340 10 0 EEAELP C[NH+]1CCC(CNC(=O)CC2CC(F)(F)C2)([NH+]2CCCCC2)CC1 ZINC000449964794 467751814 /nfs/dbraw/zinc/75/18/14/467751814.db2.gz KETNPWXWLOPSQF-UHFFFAOYSA-N 2 2 343.462 2.488 10 0 EEAELP CCc1ccc([C@H](CNC(=O)NCCc2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000457475998 467832826 /nfs/dbraw/zinc/83/28/26/467832826.db2.gz JWPDGFTYQDSASS-SFHVURJKSA-N 2 2 343.475 2.127 10 0 EEAELP [NH3+]CC1(O)CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000530227440 467965679 /nfs/dbraw/zinc/96/56/79/467965679.db2.gz XSNDYCQMVBTMLX-UHFFFAOYSA-N 2 2 335.192 2.013 10 0 EEAELP Cc1nc(N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000489946470 468180040 /nfs/dbraw/zinc/18/00/40/468180040.db2.gz DHNJMTXCPUSVNJ-QGZVFWFLSA-N 2 2 340.475 2.204 10 0 EEAELP Cc1nc(N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000489946470 468180047 /nfs/dbraw/zinc/18/00/47/468180047.db2.gz DHNJMTXCPUSVNJ-QGZVFWFLSA-N 2 2 340.475 2.204 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)cn2c1 ZINC000590046576 468207220 /nfs/dbraw/zinc/20/72/20/468207220.db2.gz HGRVPBGKQZMCTE-ZBFHGGJFSA-N 2 2 344.484 2.038 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cn2c1 ZINC000590046576 468207226 /nfs/dbraw/zinc/20/72/26/468207226.db2.gz HGRVPBGKQZMCTE-ZBFHGGJFSA-N 2 2 344.484 2.038 10 0 EEAELP Cc1oc(C2CC2)nc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000556813305 468579055 /nfs/dbraw/zinc/57/90/55/468579055.db2.gz SSFUAMVKZFAVDW-UHFFFAOYSA-N 2 2 346.475 2.149 10 0 EEAELP Cc1c(C[N@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cnn1C ZINC000560017730 468762048 /nfs/dbraw/zinc/76/20/48/468762048.db2.gz HGKGDLBGEIZXCV-KRWDZBQOSA-N 2 2 341.459 2.188 10 0 EEAELP Cc1c(C[N@@H+](C)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cnn1C ZINC000560017730 468762054 /nfs/dbraw/zinc/76/20/54/468762054.db2.gz HGKGDLBGEIZXCV-KRWDZBQOSA-N 2 2 341.459 2.188 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000562316264 468935399 /nfs/dbraw/zinc/93/53/99/468935399.db2.gz ZQONLKKLJLVTJV-DNVCBOLYSA-N 2 2 342.443 2.346 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000562316264 468935404 /nfs/dbraw/zinc/93/54/04/468935404.db2.gz ZQONLKKLJLVTJV-DNVCBOLYSA-N 2 2 342.443 2.346 10 0 EEAELP CCc1nc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)o1 ZINC000573331017 469109716 /nfs/dbraw/zinc/10/97/16/469109716.db2.gz IVRYPDFERJILPH-UHFFFAOYSA-N 2 2 348.491 2.226 10 0 EEAELP CC(C)(CNC(=O)NCc1cn2c([nH+]1)CCCC2)[NH+]1CCCCC1 ZINC000588968052 469184374 /nfs/dbraw/zinc/18/43/74/469184374.db2.gz WHNHKCWLWLQSKU-UHFFFAOYSA-N 2 2 333.480 2.283 10 0 EEAELP CCS[C@H]1CCC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000596455380 469271851 /nfs/dbraw/zinc/27/18/51/469271851.db2.gz KVCULLYERJOYGM-CVEARBPZSA-N 2 2 344.569 2.233 10 0 EEAELP CCS[C@H]1CCC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596455380 469271854 /nfs/dbraw/zinc/27/18/54/469271854.db2.gz KVCULLYERJOYGM-CVEARBPZSA-N 2 2 344.569 2.233 10 0 EEAELP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629511901 469569740 /nfs/dbraw/zinc/56/97/40/469569740.db2.gz CBQOVABEWBTLNQ-BXUZGUMPSA-N 2 2 326.366 2.487 10 0 EEAELP COC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000629521907 469571788 /nfs/dbraw/zinc/57/17/88/469571788.db2.gz SYCLWNBRUBMXFP-CQSZACIVSA-N 2 2 332.366 2.490 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629540283 469574281 /nfs/dbraw/zinc/57/42/81/469574281.db2.gz VJTHICIMYPTGRI-HZSPNIEDSA-N 2 2 335.448 2.151 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000629568369 469582297 /nfs/dbraw/zinc/58/22/97/469582297.db2.gz UGXRIXHFPGABIY-UHFFFAOYSA-N 2 2 334.247 2.100 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000629568369 469582302 /nfs/dbraw/zinc/58/23/02/469582302.db2.gz UGXRIXHFPGABIY-UHFFFAOYSA-N 2 2 334.247 2.100 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540274 469617905 /nfs/dbraw/zinc/61/79/05/469617905.db2.gz FHKHYSKGDIDODY-NHCUHLMSSA-N 3 2 345.531 2.430 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540274 469617909 /nfs/dbraw/zinc/61/79/09/469617909.db2.gz FHKHYSKGDIDODY-NHCUHLMSSA-N 3 2 345.531 2.430 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540274 469617911 /nfs/dbraw/zinc/61/79/11/469617911.db2.gz FHKHYSKGDIDODY-NHCUHLMSSA-N 3 2 345.531 2.430 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428774 469654580 /nfs/dbraw/zinc/65/45/80/469654580.db2.gz ZZPUJIWTHHPKKV-SLFFLAALSA-N 3 2 345.531 2.332 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428774 469654582 /nfs/dbraw/zinc/65/45/82/469654582.db2.gz ZZPUJIWTHHPKKV-SLFFLAALSA-N 3 2 345.531 2.332 10 0 EEAELP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428774 469654586 /nfs/dbraw/zinc/65/45/86/469654586.db2.gz ZZPUJIWTHHPKKV-SLFFLAALSA-N 3 2 345.531 2.332 10 0 EEAELP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428774 469654590 /nfs/dbraw/zinc/65/45/90/469654590.db2.gz ZZPUJIWTHHPKKV-SLFFLAALSA-N 3 2 345.531 2.332 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)CC2 ZINC000623456961 469661117 /nfs/dbraw/zinc/66/11/17/469661117.db2.gz USECYDIXLQBZFE-UONOGXRCSA-N 2 2 332.473 2.235 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000617508235 469707961 /nfs/dbraw/zinc/70/79/61/469707961.db2.gz YVKXKPQBKKDRCX-YJBOKZPZSA-N 2 2 345.487 2.135 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000617508235 469707965 /nfs/dbraw/zinc/70/79/65/469707965.db2.gz YVKXKPQBKKDRCX-YJBOKZPZSA-N 2 2 345.487 2.135 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@@H]3CC=CCC3)C2)CC1 ZINC000623638473 469719055 /nfs/dbraw/zinc/71/90/55/469719055.db2.gz GUCDXGYIEBGUEE-SJORKVTESA-N 2 2 334.508 2.201 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@@H]3CC=CCC3)C2)CC1 ZINC000623638473 469719057 /nfs/dbraw/zinc/71/90/57/469719057.db2.gz GUCDXGYIEBGUEE-SJORKVTESA-N 2 2 334.508 2.201 10 0 EEAELP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2nccc(C)c2c1 ZINC000617764476 469796565 /nfs/dbraw/zinc/79/65/65/469796565.db2.gz ZFPWTBOGVJMQEO-UHFFFAOYSA-N 2 2 342.487 2.465 10 0 EEAELP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2nccc(C)c2c1 ZINC000617764476 469796569 /nfs/dbraw/zinc/79/65/69/469796569.db2.gz ZFPWTBOGVJMQEO-UHFFFAOYSA-N 2 2 342.487 2.465 10 0 EEAELP Cc1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1Cl ZINC000617763890 469796620 /nfs/dbraw/zinc/79/66/20/469796620.db2.gz AGMIBRLHTCXTSC-UHFFFAOYSA-N 2 2 329.847 2.401 10 0 EEAELP Cc1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1Cl ZINC000617763890 469796624 /nfs/dbraw/zinc/79/66/24/469796624.db2.gz AGMIBRLHTCXTSC-UHFFFAOYSA-N 2 2 329.847 2.401 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc2ccccc21 ZINC000617768532 469798740 /nfs/dbraw/zinc/79/87/40/469798740.db2.gz IAXPCOGSUOSFKB-UHFFFAOYSA-N 2 2 327.472 2.382 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc2ccccc21 ZINC000617768532 469798746 /nfs/dbraw/zinc/79/87/46/469798746.db2.gz IAXPCOGSUOSFKB-UHFFFAOYSA-N 2 2 327.472 2.382 10 0 EEAELP COCc1c2ccccc2oc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768755 469798860 /nfs/dbraw/zinc/79/88/60/469798860.db2.gz SZODNCCMFCSCDU-UHFFFAOYSA-N 2 2 347.459 2.193 10 0 EEAELP COCc1c2ccccc2oc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768755 469798867 /nfs/dbraw/zinc/79/88/67/469798867.db2.gz SZODNCCMFCSCDU-UHFFFAOYSA-N 2 2 347.459 2.193 10 0 EEAELP Cc1ccc(Cl)c(OCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617768929 469799112 /nfs/dbraw/zinc/79/91/12/469799112.db2.gz ZVBNISURXRLTFV-UHFFFAOYSA-N 2 2 341.883 2.027 10 0 EEAELP Cc1ccc(Cl)c(OCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617768929 469799117 /nfs/dbraw/zinc/79/91/17/469799117.db2.gz ZVBNISURXRLTFV-UHFFFAOYSA-N 2 2 341.883 2.027 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000624017168 469817619 /nfs/dbraw/zinc/81/76/19/469817619.db2.gz RKDVWORRYPXQLO-IHPCNDPISA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000624017168 469817625 /nfs/dbraw/zinc/81/76/25/469817625.db2.gz RKDVWORRYPXQLO-IHPCNDPISA-N 2 2 331.504 2.350 10 0 EEAELP CO[C@@H]1C[N@H+](CCOc2cccc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000630363181 469819473 /nfs/dbraw/zinc/81/94/73/469819473.db2.gz CHJKQXBWTOPZKH-GJZGRUSLSA-N 2 2 343.265 2.266 10 0 EEAELP CO[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000630363181 469819475 /nfs/dbraw/zinc/81/94/75/469819475.db2.gz CHJKQXBWTOPZKH-GJZGRUSLSA-N 2 2 343.265 2.266 10 0 EEAELP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)n1cccn1 ZINC000624045366 469824300 /nfs/dbraw/zinc/82/43/00/469824300.db2.gz GMKLANNGXXMLDQ-HUUCEWRRSA-N 2 2 346.397 2.220 10 0 EEAELP C[C@@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000624051778 469826566 /nfs/dbraw/zinc/82/65/66/469826566.db2.gz NGXHVWXRHMGPLD-RHSMWYFYSA-N 2 2 339.443 2.128 10 0 EEAELP C[C@@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000624051778 469826571 /nfs/dbraw/zinc/82/65/71/469826571.db2.gz NGXHVWXRHMGPLD-RHSMWYFYSA-N 2 2 339.443 2.128 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@H+](CC)C1 ZINC000617924221 469839635 /nfs/dbraw/zinc/83/96/35/469839635.db2.gz QCLUJMJFUUZWAS-CHWSQXEVSA-N 2 2 346.397 2.399 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@@H+](CC)C1 ZINC000617924221 469839639 /nfs/dbraw/zinc/83/96/39/469839639.db2.gz QCLUJMJFUUZWAS-CHWSQXEVSA-N 2 2 346.397 2.399 10 0 EEAELP CCC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000631194528 470090173 /nfs/dbraw/zinc/09/01/73/470090173.db2.gz LWNGVLLFAXOOAT-MRXNPFEDSA-N 2 2 326.448 2.253 10 0 EEAELP CCC[C@@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000631194528 470090175 /nfs/dbraw/zinc/09/01/75/470090175.db2.gz LWNGVLLFAXOOAT-MRXNPFEDSA-N 2 2 326.448 2.253 10 0 EEAELP CCOc1cncc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000621725669 470100129 /nfs/dbraw/zinc/10/01/29/470100129.db2.gz XKEDVWNNZYMKIM-UHFFFAOYSA-N 2 2 328.416 2.206 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000628475900 470110734 /nfs/dbraw/zinc/11/07/34/470110734.db2.gz IHPWULZSMQGSQQ-UHFFFAOYSA-N 2 2 332.444 2.492 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC[N@@H+]1C ZINC000631308787 470116415 /nfs/dbraw/zinc/11/64/15/470116415.db2.gz HIQABSOPQZMLJY-RYQLBKOJSA-N 2 2 330.476 2.017 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC[N@H+]1C ZINC000631308787 470116417 /nfs/dbraw/zinc/11/64/17/470116417.db2.gz HIQABSOPQZMLJY-RYQLBKOJSA-N 2 2 330.476 2.017 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccncc1Br)CC[NH+](C)C ZINC000625433516 470143686 /nfs/dbraw/zinc/14/36/86/470143686.db2.gz YIFJHGLGSDDOPK-UHFFFAOYSA-N 2 2 343.313 2.159 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccncc1Br)CC[NH+](C)C ZINC000625433516 470143689 /nfs/dbraw/zinc/14/36/89/470143689.db2.gz YIFJHGLGSDDOPK-UHFFFAOYSA-N 2 2 343.313 2.159 10 0 EEAELP CCC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C)ccn1 ZINC000631582802 470173368 /nfs/dbraw/zinc/17/33/68/470173368.db2.gz UCOHBIGTGAXPFF-MOPGFXCFSA-N 2 2 346.519 2.227 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2coc(-c3cccc(OC)c3)n2)C[C@H]1C[NH3+] ZINC000631829241 470186051 /nfs/dbraw/zinc/18/60/51/470186051.db2.gz LMBZJNISGQUKJW-RHSMWYFYSA-N 2 2 331.416 2.146 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2coc(-c3cccc(OC)c3)n2)C[C@H]1C[NH3+] ZINC000631829241 470186052 /nfs/dbraw/zinc/18/60/52/470186052.db2.gz LMBZJNISGQUKJW-RHSMWYFYSA-N 2 2 331.416 2.146 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC1(c2ccccc2)CCC1 ZINC000631886461 470189437 /nfs/dbraw/zinc/18/94/37/470189437.db2.gz HTALGPVKKWQIRC-FUHWJXTLSA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC1(c2ccccc2)CCC1 ZINC000631886461 470189438 /nfs/dbraw/zinc/18/94/38/470189438.db2.gz HTALGPVKKWQIRC-FUHWJXTLSA-N 2 2 327.472 2.256 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000634576588 470267867 /nfs/dbraw/zinc/26/78/67/470267867.db2.gz VIEBDZBQTYERKM-JTDSTZFVSA-N 2 2 345.487 2.095 10 0 EEAELP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000632796506 470271685 /nfs/dbraw/zinc/27/16/85/470271685.db2.gz ZJLINPJDIUYRKI-NVXWUHKLSA-N 2 2 328.391 2.335 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1N(C(=O)Cn2c[nH+]c3c2CCCC3)CC1(C)C ZINC000650670151 470936031 /nfs/dbraw/zinc/93/60/31/470936031.db2.gz ZAKFWEJZKCZAIG-INIZCTEOSA-N 2 2 327.432 2.105 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899713 471010196 /nfs/dbraw/zinc/01/01/96/471010196.db2.gz SXOOLFXAIIMSEE-FUHWJXTLSA-N 2 2 345.487 2.118 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899713 471010199 /nfs/dbraw/zinc/01/01/99/471010199.db2.gz SXOOLFXAIIMSEE-FUHWJXTLSA-N 2 2 345.487 2.118 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000651101819 471049305 /nfs/dbraw/zinc/04/93/05/471049305.db2.gz HXKWOHZVFFDFIU-KRWDZBQOSA-N 2 2 332.492 2.389 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000651388790 471154968 /nfs/dbraw/zinc/15/49/68/471154968.db2.gz QPICUTQLPDLJJC-INIZCTEOSA-N 2 2 330.476 2.096 10 0 EEAELP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658283038 471284718 /nfs/dbraw/zinc/28/47/18/471284718.db2.gz ADDXENRDUMATDN-JSGCOSHPSA-N 2 2 342.281 2.073 10 0 EEAELP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658283038 471284720 /nfs/dbraw/zinc/28/47/20/471284720.db2.gz ADDXENRDUMATDN-JSGCOSHPSA-N 2 2 342.281 2.073 10 0 EEAELP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658283045 471284905 /nfs/dbraw/zinc/28/49/05/471284905.db2.gz ADDXENRDUMATDN-TZMCWYRMSA-N 2 2 342.281 2.073 10 0 EEAELP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658283045 471284908 /nfs/dbraw/zinc/28/49/08/471284908.db2.gz ADDXENRDUMATDN-TZMCWYRMSA-N 2 2 342.281 2.073 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@H]3CCOC3(C)C)c2cc1C ZINC000663371522 471343244 /nfs/dbraw/zinc/34/32/44/471343244.db2.gz UIOVTMAEYZNAPW-HZPDHXFCSA-N 2 2 331.460 2.419 10 0 EEAELP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000663396069 471355751 /nfs/dbraw/zinc/35/57/51/471355751.db2.gz KNGSGAAJOYFHBX-ZDUSSCGKSA-N 2 2 342.434 2.209 10 0 EEAELP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000663396069 471355756 /nfs/dbraw/zinc/35/57/56/471355756.db2.gz KNGSGAAJOYFHBX-ZDUSSCGKSA-N 2 2 342.434 2.209 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)c1ccccc1 ZINC000663665426 471465272 /nfs/dbraw/zinc/46/52/72/471465272.db2.gz FAEBICZLFHDSKL-UHFFFAOYSA-N 2 2 334.508 2.147 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)c1ccccc1 ZINC000663665426 471465275 /nfs/dbraw/zinc/46/52/75/471465275.db2.gz FAEBICZLFHDSKL-UHFFFAOYSA-N 2 2 334.508 2.147 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(S(N)(=O)=O)cc1 ZINC000655849319 471502582 /nfs/dbraw/zinc/50/25/82/471502582.db2.gz TWFNGDAQBMLEHP-XKQJLSEDSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(S(N)(=O)=O)cc1 ZINC000655849319 471502585 /nfs/dbraw/zinc/50/25/85/471502585.db2.gz TWFNGDAQBMLEHP-XKQJLSEDSA-N 2 2 337.489 2.002 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000666775198 471532412 /nfs/dbraw/zinc/53/24/12/471532412.db2.gz IZVHIRNKZZBHHY-GFCCVEGCSA-N 2 2 340.434 2.146 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000666775198 471532416 /nfs/dbraw/zinc/53/24/16/471532416.db2.gz IZVHIRNKZZBHHY-GFCCVEGCSA-N 2 2 340.434 2.146 10 0 EEAELP CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000655928466 471544755 /nfs/dbraw/zinc/54/47/55/471544755.db2.gz TXOKHZPLAWCHRI-RYUDHWBXSA-N 2 2 341.337 2.030 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659460489 471637596 /nfs/dbraw/zinc/63/75/96/471637596.db2.gz XCLVTWWKKOZNMO-QGZVFWFLSA-N 2 2 347.507 2.460 10 0 EEAELP Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000664653432 471824806 /nfs/dbraw/zinc/82/48/06/471824806.db2.gz OQLIUIFITBQHNK-KRWDZBQOSA-N 2 2 341.459 2.394 10 0 EEAELP CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667566922 471825510 /nfs/dbraw/zinc/82/55/10/471825510.db2.gz LODKCYDBYKEVFW-MRXNPFEDSA-N 2 2 341.459 2.396 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc2O1 ZINC000664994090 471921285 /nfs/dbraw/zinc/92/12/85/471921285.db2.gz YXJAOMMSGLNLKS-NVXWUHKLSA-N 2 2 348.491 2.081 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc2O1 ZINC000664994090 471921289 /nfs/dbraw/zinc/92/12/89/471921289.db2.gz YXJAOMMSGLNLKS-NVXWUHKLSA-N 2 2 348.491 2.081 10 0 EEAELP CC[N@H+](CCOc1ccc(Br)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662256337 472044783 /nfs/dbraw/zinc/04/47/83/472044783.db2.gz IHDZKLVHJYYZSH-OAHLLOKOSA-N 2 2 343.265 2.138 10 0 EEAELP CC[N@@H+](CCOc1ccc(Br)cc1)C[C@H]1C[NH2+]CCO1 ZINC000662256337 472044786 /nfs/dbraw/zinc/04/47/86/472044786.db2.gz IHDZKLVHJYYZSH-OAHLLOKOSA-N 2 2 343.265 2.138 10 0 EEAELP CC(C)N(C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCC1 ZINC000662319797 472068891 /nfs/dbraw/zinc/06/88/91/472068891.db2.gz MRFZEJVQQKFUPI-SFHVURJKSA-N 2 2 339.524 2.209 10 0 EEAELP CC(C)N(C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCC1 ZINC000662319797 472068895 /nfs/dbraw/zinc/06/88/95/472068895.db2.gz MRFZEJVQQKFUPI-SFHVURJKSA-N 2 2 339.524 2.209 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)CCO1 ZINC000662322864 472071414 /nfs/dbraw/zinc/07/14/14/472071414.db2.gz JAJDRLUHPCRKIA-IRXDYDNUSA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)CCO1 ZINC000662322864 472071417 /nfs/dbraw/zinc/07/14/17/472071417.db2.gz JAJDRLUHPCRKIA-IRXDYDNUSA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CCO1 ZINC000662322710 472071725 /nfs/dbraw/zinc/07/17/25/472071725.db2.gz SUNSPHNMPAOLNX-MOPGFXCFSA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CCO1 ZINC000662322710 472071728 /nfs/dbraw/zinc/07/17/28/472071728.db2.gz SUNSPHNMPAOLNX-MOPGFXCFSA-N 2 2 345.487 2.049 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508642 472133842 /nfs/dbraw/zinc/13/38/42/472133842.db2.gz YLVGPSFKKAQQMN-RRFJBIMHSA-N 2 2 327.831 2.339 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508642 472133848 /nfs/dbraw/zinc/13/38/48/472133848.db2.gz YLVGPSFKKAQQMN-RRFJBIMHSA-N 2 2 327.831 2.339 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662711740 472219376 /nfs/dbraw/zinc/21/93/76/472219376.db2.gz NWDZYDADLRMBSE-BFQNTYOBSA-N 2 2 325.403 2.344 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662711740 472219382 /nfs/dbraw/zinc/21/93/82/472219382.db2.gz NWDZYDADLRMBSE-BFQNTYOBSA-N 2 2 325.403 2.344 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000662726520 472224007 /nfs/dbraw/zinc/22/40/07/472224007.db2.gz JGMHSUYFQOTEPR-SJORKVTESA-N 2 2 335.517 2.266 10 0 EEAELP O=C(N1CC[NH+](Cc2cccc(F)c2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662787820 472251345 /nfs/dbraw/zinc/25/13/45/472251345.db2.gz SRZGBSUKFRSBNL-UHFFFAOYSA-N 2 2 331.435 2.145 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662792891 472253632 /nfs/dbraw/zinc/25/36/32/472253632.db2.gz YJIDSXLVIKVZKH-WMLDXEAASA-N 2 2 333.451 2.419 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662800133 472257314 /nfs/dbraw/zinc/25/73/14/472257314.db2.gz ZCHOPAJOOIXOQV-ZFWWWQNUSA-N 2 2 325.815 2.222 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662800133 472257319 /nfs/dbraw/zinc/25/73/19/472257319.db2.gz ZCHOPAJOOIXOQV-ZFWWWQNUSA-N 2 2 325.815 2.222 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000527024107 485521067 /nfs/dbraw/zinc/52/10/67/485521067.db2.gz IEPZCTJQBZBKMA-UHFFFAOYSA-N 2 2 344.381 2.264 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000527024107 485521076 /nfs/dbraw/zinc/52/10/76/485521076.db2.gz IEPZCTJQBZBKMA-UHFFFAOYSA-N 2 2 344.381 2.264 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](F)C2)CC1 ZINC000679221630 485622649 /nfs/dbraw/zinc/62/26/49/485622649.db2.gz HIWNOKSKKXXIBJ-MJGOQNOKSA-N 2 2 347.478 2.319 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)CC1 ZINC000679221630 485622658 /nfs/dbraw/zinc/62/26/58/485622658.db2.gz HIWNOKSKKXXIBJ-MJGOQNOKSA-N 2 2 347.478 2.319 10 0 EEAELP Cn1nccc1C1=CC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000671699898 485976542 /nfs/dbraw/zinc/97/65/42/485976542.db2.gz DYDBYJPARQKEEG-LJQANCHMSA-N 2 2 340.471 2.002 10 0 EEAELP Cn1nccc1C1=CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000671699898 485976551 /nfs/dbraw/zinc/97/65/51/485976551.db2.gz DYDBYJPARQKEEG-LJQANCHMSA-N 2 2 340.471 2.002 10 0 EEAELP Cn1nccc1C1=CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000671699898 485976553 /nfs/dbraw/zinc/97/65/53/485976553.db2.gz DYDBYJPARQKEEG-LJQANCHMSA-N 2 2 340.471 2.002 10 0 EEAELP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000684908050 486033481 /nfs/dbraw/zinc/03/34/81/486033481.db2.gz UUFMYEGGIACNSM-QGZVFWFLSA-N 2 2 345.491 2.096 10 0 EEAELP Cc1cccc(Cl)c1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683114368 486617475 /nfs/dbraw/zinc/61/74/75/486617475.db2.gz DWXMSXSISTVXSC-HNNXBMFYSA-N 2 2 349.906 2.476 10 0 EEAELP Cc1cccc(Cl)c1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683114368 486617478 /nfs/dbraw/zinc/61/74/78/486617478.db2.gz DWXMSXSISTVXSC-HNNXBMFYSA-N 2 2 349.906 2.476 10 0 EEAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415093358 534230711 /nfs/dbraw/zinc/23/07/11/534230711.db2.gz HZPIMCDDKSVUOV-GWCFXTLKSA-N 2 2 331.229 2.097 10 0 EEAELP CC(C)(CO)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422970983 535174430 /nfs/dbraw/zinc/17/44/30/535174430.db2.gz XJLWVDNZXOWBJZ-QYZOEREBSA-N 2 2 332.488 2.145 10 0 EEAELP COc1ccccc1N1CCC([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422831325 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YQPUJRNPCFZGBU-OAHLLOKOSA-N 2 2 346.500 2.188 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001483041170 1188098863 /nfs/dbraw/zinc/09/88/63/1188098863.db2.gz MIIDVZOZBIFICK-UPHRSURJSA-N 2 2 347.422 2.343 10 0 EEAELP C[C@H](CC(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001483064346 1188386146 /nfs/dbraw/zinc/38/61/46/1188386146.db2.gz BEEYACWUESRTJK-XQJDBVBESA-N 2 2 326.391 2.142 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+]Cc1cc(O)ccc1Cl ZINC001483092686 1188460318 /nfs/dbraw/zinc/46/03/18/1188460318.db2.gz IGUWWYJCGLQIPR-IHWYPQMZSA-N 2 2 348.834 2.013 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483170857 1189017479 /nfs/dbraw/zinc/01/74/79/1189017479.db2.gz VTGAUHVFLVNERB-BZNIZROVSA-N 2 2 332.835 2.387 10 0 EEAELP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001691633462 1189381465 /nfs/dbraw/zinc/38/14/65/1189381465.db2.gz BHLHAZZANAZMBP-QGZVFWFLSA-N 2 2 326.444 2.051 10 0 EEAELP 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IKJKWWIDYZPZQE-UHFFFAOYSA-N 2 2 347.488 2.326 10 0 EEAELP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001409845161 1190676988 /nfs/dbraw/zinc/67/69/88/1190676988.db2.gz WKQXZXYNBZRUJW-AEFFLSMTSA-N 2 2 339.524 2.303 10 0 EEAELP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001409845161 1190676989 /nfs/dbraw/zinc/67/69/89/1190676989.db2.gz WKQXZXYNBZRUJW-AEFFLSMTSA-N 2 2 339.524 2.303 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1CCCCC1CCOCC1 ZINC001483697351 1190772073 /nfs/dbraw/zinc/77/20/73/1190772073.db2.gz QXGDXCBMTGVPKK-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1CCCCC1CCOCC1 ZINC001483697351 1190772079 /nfs/dbraw/zinc/77/20/79/1190772079.db2.gz QXGDXCBMTGVPKK-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cn2cc[nH+]c2)cc1 ZINC001272343670 1190777276 /nfs/dbraw/zinc/77/72/76/1190777276.db2.gz OMBACVKHEKEQKX-RTBURBONSA-N 2 2 340.471 2.309 10 0 EEAELP 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/nfs/dbraw/zinc/43/95/66/1191439566.db2.gz FLHPTSQTNDIFMU-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP CCC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001484606917 1191439567 /nfs/dbraw/zinc/43/95/67/1191439567.db2.gz FLHPTSQTNDIFMU-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP CCC[NH+](C)CCC(=O)NC[C@@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001484606917 1191439568 /nfs/dbraw/zinc/43/95/68/1191439568.db2.gz FLHPTSQTNDIFMU-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP Cc1ncsc1C[NH2+]CC1CC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001485104239 1191653768 /nfs/dbraw/zinc/65/37/68/1191653768.db2.gz YMRAJSPXTBPGGO-XGNXJENSSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1ncsc1C[NH2+]CC1CC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001485104239 1191653770 /nfs/dbraw/zinc/65/37/70/1191653770.db2.gz YMRAJSPXTBPGGO-XGNXJENSSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCOC(C)C)[nH+]c12 ZINC001485198521 1191682654 /nfs/dbraw/zinc/68/26/54/1191682654.db2.gz KITHBANVNCRMHZ-HZPDHXFCSA-N 2 2 346.475 2.093 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cscn1)CC2 ZINC001486153181 1193703243 /nfs/dbraw/zinc/70/32/43/1193703243.db2.gz CMMOAVXPKGPYBY-WBVHZDCISA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cscn1)CC2 ZINC001486153181 1193703244 /nfs/dbraw/zinc/70/32/44/1193703244.db2.gz CMMOAVXPKGPYBY-WBVHZDCISA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC001486153181 1193703246 /nfs/dbraw/zinc/70/32/46/1193703246.db2.gz CMMOAVXPKGPYBY-WBVHZDCISA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC001486153181 1193703247 /nfs/dbraw/zinc/70/32/47/1193703247.db2.gz CMMOAVXPKGPYBY-WBVHZDCISA-N 2 2 336.505 2.097 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001486424162 1193938076 /nfs/dbraw/zinc/93/80/76/1193938076.db2.gz YWGCBXATOSUGOP-MRXNPFEDSA-N 2 2 347.463 2.063 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@@H]1CCOC1=O 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CCN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001443860252 1098383646 /nfs/dbraw/zinc/38/36/46/1098383646.db2.gz CUQHRAUDCMSKCR-KRWDZBQOSA-N 2 2 332.492 2.466 10 0 EEAELP CCN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001443860252 1098383648 /nfs/dbraw/zinc/38/36/48/1098383648.db2.gz CUQHRAUDCMSKCR-KRWDZBQOSA-N 2 2 332.492 2.466 10 0 EEAELP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](Cc2nocc2C)C1 ZINC001443879042 1098404980 /nfs/dbraw/zinc/40/49/80/1098404980.db2.gz HOVHHJWPLFUPJX-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](Cc2nocc2C)C1 ZINC001443879042 1098404981 /nfs/dbraw/zinc/40/49/81/1098404981.db2.gz HOVHHJWPLFUPJX-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001443879042 1098404984 /nfs/dbraw/zinc/40/49/84/1098404984.db2.gz HOVHHJWPLFUPJX-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001443879042 1098404988 /nfs/dbraw/zinc/40/49/88/1098404988.db2.gz HOVHHJWPLFUPJX-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1C ZINC001443955486 1098475228 /nfs/dbraw/zinc/47/52/28/1098475228.db2.gz PIEDILWOVCJPAM-QZTJIDSGSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@](C[NH2+]Cc1ccns1)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001444127215 1098662196 /nfs/dbraw/zinc/66/21/96/1098662196.db2.gz JPCHZSZVFIEFBT-CPUCHLNUSA-N 2 2 345.472 2.044 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)[C@@H]1C)[NH+](C)C ZINC001479718061 1098803062 /nfs/dbraw/zinc/80/30/62/1098803062.db2.gz OXPQMZSWQKHWQM-PVAVHDDUSA-N 2 2 349.523 2.057 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)[C@@H]1C)[NH+](C)C ZINC001479718061 1098803073 /nfs/dbraw/zinc/80/30/73/1098803073.db2.gz OXPQMZSWQKHWQM-PVAVHDDUSA-N 2 2 349.523 2.057 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001479985990 1099444711 /nfs/dbraw/zinc/44/47/11/1099444711.db2.gz ABFLGWVSUMPZRS-INIZCTEOSA-N 2 2 336.455 2.073 10 0 EEAELP O=C(NC[C@H]([NH2+]Cc1ccccc1)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001480030694 1099519638 /nfs/dbraw/zinc/51/96/38/1099519638.db2.gz ORDMQHIUNJYSRG-HKUYNNGSSA-N 2 2 338.455 2.130 10 0 EEAELP Cc1ncccc1C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001444686998 1099535000 /nfs/dbraw/zinc/53/50/00/1099535000.db2.gz NKPLBMRCXDDRAE-GJZGRUSLSA-N 2 2 329.448 2.174 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1)n1cc[nH+]c1 ZINC001480162148 1099737079 /nfs/dbraw/zinc/73/70/79/1099737079.db2.gz LGNVXYQHWLDHBK-BPLDGKMQSA-N 2 2 347.850 2.320 10 0 EEAELP Cc1ccc(CC[NH2+][C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001480490812 1100303029 /nfs/dbraw/zinc/30/30/29/1100303029.db2.gz SUZKKDKVAZOLKQ-SJLPKXTDSA-N 2 2 340.471 2.091 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001480579693 1100426154 /nfs/dbraw/zinc/42/61/54/1100426154.db2.gz NXGFMAHEUAXLCW-AAEUAGOBSA-N 2 2 328.407 2.180 10 0 EEAELP 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ZINC001496172873 1102169551 /nfs/dbraw/zinc/16/95/51/1102169551.db2.gz QLWMOEFJHFOVRV-HZPDHXFCSA-N 2 2 329.448 2.174 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CCn1cc[nH+]c1 ZINC001497247672 1102190675 /nfs/dbraw/zinc/19/06/75/1102190675.db2.gz QBAPPFWFJUVVPC-ZDUSSCGKSA-N 2 2 336.386 2.236 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](CCOC(C)C)CC1 ZINC001447298370 1102397176 /nfs/dbraw/zinc/39/71/76/1102397176.db2.gz CDQKMRAIGDLKME-QGZVFWFLSA-N 2 2 349.475 2.028 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](CCOC(C)C)CC1 ZINC001447298370 1102397183 /nfs/dbraw/zinc/39/71/83/1102397183.db2.gz CDQKMRAIGDLKME-QGZVFWFLSA-N 2 2 349.475 2.028 10 0 EEAELP CCC1([NH2+]C[C@H](OC)C2CCC2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001447432150 1102642820 /nfs/dbraw/zinc/64/28/20/1102642820.db2.gz YJWJTQUVOVSCTR-KRWDZBQOSA-N 2 2 348.491 2.128 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1 ZINC001497743305 1103002452 /nfs/dbraw/zinc/00/24/52/1103002452.db2.gz 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CC[C@H](C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001452612831 1105604671 /nfs/dbraw/zinc/60/46/71/1105604671.db2.gz UVWPLHXPNQDMOW-ZACQAIPSSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001452612831 1105604674 /nfs/dbraw/zinc/60/46/74/1105604674.db2.gz UVWPLHXPNQDMOW-ZACQAIPSSA-N 2 2 339.524 2.065 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001480773705 1107089204 /nfs/dbraw/zinc/08/92/04/1107089204.db2.gz NOBDYYZIAZFNMD-CQSZACIVSA-N 2 2 345.418 2.456 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001498287433 1107219520 /nfs/dbraw/zinc/21/95/20/1107219520.db2.gz GVIDOKMAFWGZFI-RHSMWYFYSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001498287433 1107219526 /nfs/dbraw/zinc/21/95/26/1107219526.db2.gz GVIDOKMAFWGZFI-RHSMWYFYSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001498287433 1107219534 /nfs/dbraw/zinc/21/95/34/1107219534.db2.gz GVIDOKMAFWGZFI-RHSMWYFYSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001498287433 1107219542 /nfs/dbraw/zinc/21/95/42/1107219542.db2.gz GVIDOKMAFWGZFI-RHSMWYFYSA-N 2 2 333.480 2.193 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCO)c(C)[nH+]1 ZINC001498485672 1107618021 /nfs/dbraw/zinc/61/80/21/1107618021.db2.gz COOMUTZKJWGUNX-SJORKVTESA-N 2 2 333.476 2.267 10 0 EEAELP C[C@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1)c1ccc(F)cc1F ZINC001498874051 1108259007 /nfs/dbraw/zinc/25/90/07/1108259007.db2.gz LPAPRXFPHKISLX-SJCJKPOMSA-N 2 2 348.397 2.407 10 0 EEAELP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001493584340 1108357222 /nfs/dbraw/zinc/35/72/22/1108357222.db2.gz LDXOGTUADCIMEH-HZPDHXFCSA-N 2 2 342.443 2.078 10 0 EEAELP COCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001499480217 1112311186 /nfs/dbraw/zinc/31/11/86/1112311186.db2.gz DYNBVAHHTJFXRZ-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP COCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001499480217 1112311195 /nfs/dbraw/zinc/31/11/95/1112311195.db2.gz DYNBVAHHTJFXRZ-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCCc2cccc(F)c2)C1 ZINC001499686992 1112443565 /nfs/dbraw/zinc/44/35/65/1112443565.db2.gz SUKVNYZZCNVEAA-UHFFFAOYSA-N 2 2 347.478 2.385 10 0 EEAELP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](Cc2cscn2)CC1 ZINC001500003012 1112574344 /nfs/dbraw/zinc/57/43/44/1112574344.db2.gz KNMBOVXHLLWKBT-UHFFFAOYSA-N 2 2 338.521 2.346 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001501631988 1113407412 /nfs/dbraw/zinc/40/74/12/1113407412.db2.gz ISPDFPURMQJVAM-HNNXBMFYSA-N 2 2 330.476 2.361 10 0 EEAELP COC[C@H](C)[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001503692342 1113900346 /nfs/dbraw/zinc/90/03/46/1113900346.db2.gz UTZBTIAIWZXUEQ-QFBILLFUSA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@H](C)[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001503692342 1113900348 /nfs/dbraw/zinc/90/03/48/1113900348.db2.gz UTZBTIAIWZXUEQ-QFBILLFUSA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@H](C)[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001503692342 1113900349 /nfs/dbraw/zinc/90/03/49/1113900349.db2.gz UTZBTIAIWZXUEQ-QFBILLFUSA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@H](C)[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001503692342 1113900350 /nfs/dbraw/zinc/90/03/50/1113900350.db2.gz UTZBTIAIWZXUEQ-QFBILLFUSA-N 2 2 347.503 2.077 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)s1 ZINC001505654052 1114111565 /nfs/dbraw/zinc/11/15/65/1114111565.db2.gz ZBAGFNMGLKGLDI-VXGBXAGGSA-N 2 2 343.456 2.396 10 0 EEAELP COc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)ccc1C ZINC001505663447 1114116607 /nfs/dbraw/zinc/11/66/07/1114116607.db2.gz FDVGCDXOZBBYHL-JKSUJKDBSA-N 2 2 344.459 2.273 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001505937254 1114289000 /nfs/dbraw/zinc/28/90/00/1114289000.db2.gz BBAPHMOWCQDHIU-WMZOPIPTSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001505937254 1114289002 /nfs/dbraw/zinc/28/90/02/1114289002.db2.gz BBAPHMOWCQDHIU-WMZOPIPTSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001505937254 1114289003 /nfs/dbraw/zinc/28/90/03/1114289003.db2.gz BBAPHMOWCQDHIU-WMZOPIPTSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001505937254 1114289004 /nfs/dbraw/zinc/28/90/04/1114289004.db2.gz BBAPHMOWCQDHIU-WMZOPIPTSA-N 2 2 349.523 2.275 10 0 EEAELP CCCCCC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001506499488 1114652455 /nfs/dbraw/zinc/65/24/55/1114652455.db2.gz JDBIMXXSOXZRHB-QGZVFWFLSA-N 2 2 339.524 2.306 10 0 EEAELP CCCCCC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001506499488 1114652456 /nfs/dbraw/zinc/65/24/56/1114652456.db2.gz JDBIMXXSOXZRHB-QGZVFWFLSA-N 2 2 339.524 2.306 10 0 EEAELP Cc1nocc1C[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001506746515 1114859441 /nfs/dbraw/zinc/85/94/41/1114859441.db2.gz DLCPDLHBKQMECD-CJNGLKHVSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1nocc1C[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001506746515 1114859443 /nfs/dbraw/zinc/85/94/43/1114859443.db2.gz DLCPDLHBKQMECD-CJNGLKHVSA-N 2 2 345.447 2.157 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001506885243 1114950109 /nfs/dbraw/zinc/95/01/09/1114950109.db2.gz MWCZTAFGIBAEMY-XLKGFZLASA-N 2 2 330.476 2.263 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001506885243 1114950112 /nfs/dbraw/zinc/95/01/12/1114950112.db2.gz MWCZTAFGIBAEMY-XLKGFZLASA-N 2 2 330.476 2.263 10 0 EEAELP C[C@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)Cc1c[nH+]cn1C ZINC001506945041 1114993685 /nfs/dbraw/zinc/99/36/85/1114993685.db2.gz CZYPQMFYIZRCIJ-CYBMUJFWSA-N 2 2 349.866 2.086 10 0 EEAELP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001507014393 1115054601 /nfs/dbraw/zinc/05/46/01/1115054601.db2.gz CVWBIDIZBYDTHP-WMZOPIPTSA-N 2 2 330.476 2.072 10 0 EEAELP CCC(CC)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507658726 1115315859 /nfs/dbraw/zinc/31/58/59/1115315859.db2.gz ZMFCRJOKTJCCHF-MRXNPFEDSA-N 2 2 346.475 2.364 10 0 EEAELP CCC(CC)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507658726 1115315862 /nfs/dbraw/zinc/31/58/62/1115315862.db2.gz ZMFCRJOKTJCCHF-MRXNPFEDSA-N 2 2 346.475 2.364 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001507674569 1115318340 /nfs/dbraw/zinc/31/83/40/1115318340.db2.gz GBJJQEQAOZXKPN-KRWDZBQOSA-N 2 2 335.492 2.418 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001507674569 1115318343 /nfs/dbraw/zinc/31/83/43/1115318343.db2.gz GBJJQEQAOZXKPN-KRWDZBQOSA-N 2 2 335.492 2.418 10 0 EEAELP CC[NH+](CC)CCSCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001542298141 1124112132 /nfs/dbraw/zinc/11/21/32/1124112132.db2.gz RYOOWJXTBUYVFC-OAHLLOKOSA-N 2 2 340.537 2.489 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001567913940 1124175089 /nfs/dbraw/zinc/17/50/89/1124175089.db2.gz LXVBPTNPMCHRLG-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001567913940 1124175091 /nfs/dbraw/zinc/17/50/91/1124175091.db2.gz LXVBPTNPMCHRLG-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001567922096 1124181838 /nfs/dbraw/zinc/18/18/38/1124181838.db2.gz MCGUPZBEKHPMOM-CYBMUJFWSA-N 2 2 332.370 2.218 10 0 EEAELP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001567922096 1124181842 /nfs/dbraw/zinc/18/18/42/1124181842.db2.gz MCGUPZBEKHPMOM-CYBMUJFWSA-N 2 2 332.370 2.218 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]Cc2ccnc(Cl)c2)CCCC1 ZINC001568007094 1124227493 /nfs/dbraw/zinc/22/74/93/1124227493.db2.gz SBWHHTIYOYKJGD-UHFFFAOYSA-N 2 2 347.850 2.219 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CCc1ccccc1 ZINC001568178815 1124341810 /nfs/dbraw/zinc/34/18/10/1124341810.db2.gz IPFUNOTWRZYARA-SJLPKXTDSA-N 2 2 340.471 2.030 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568198358 1124350833 /nfs/dbraw/zinc/35/08/33/1124350833.db2.gz NDMMXACSECSJBZ-QWHCGFSZSA-N 2 2 349.866 2.179 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568198358 1124350839 /nfs/dbraw/zinc/35/08/39/1124350839.db2.gz NDMMXACSECSJBZ-QWHCGFSZSA-N 2 2 349.866 2.179 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001568649277 1124660812 /nfs/dbraw/zinc/66/08/12/1124660812.db2.gz KPLYMPFVBLXMBX-SJORKVTESA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001568715887 1124734085 /nfs/dbraw/zinc/73/40/85/1124734085.db2.gz ZWNKAFJPQKYHAC-FUHWJXTLSA-N 2 2 340.471 2.488 10 0 EEAELP CCN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)Cn1cc[nH+]c1 ZINC001568802132 1124817192 /nfs/dbraw/zinc/81/71/92/1124817192.db2.gz VTSUSYYACNDRFT-UHFFFAOYSA-N 2 2 337.427 2.070 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C)c1cccc(F)c1 ZINC001568949588 1124983265 /nfs/dbraw/zinc/98/32/65/1124983265.db2.gz FIBTXKUKKASRKG-NQHOJNORSA-N 2 2 330.407 2.125 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001569064954 1125075714 /nfs/dbraw/zinc/07/57/14/1125075714.db2.gz BYOGCLSKNOQWAL-WMZOPIPTSA-N 2 2 340.471 2.091 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CCC[NH2+]CCC(F)(F)F ZINC001569214046 1125169957 /nfs/dbraw/zinc/16/99/57/1125169957.db2.gz VISMZJAGLLOKTF-UHFFFAOYSA-N 2 2 333.354 2.023 10 0 EEAELP Cc1ccccc1[C@H](C)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175499797 539552042 /nfs/dbraw/zinc/55/20/42/539552042.db2.gz HEDKNRVKZIWQBH-INIZCTEOSA-N 2 2 332.492 2.381 10 0 EEAELP COCC[N@H+](CCC(N)=[NH2+])Cc1ccc(OC)c(Br)c1 ZINC000071228916 202342681 /nfs/dbraw/zinc/34/26/81/202342681.db2.gz QPJLXSPWGLBXOC-UHFFFAOYSA-N 2 2 344.253 2.232 10 0 EEAELP COCC[N@@H+](CCC(N)=[NH2+])Cc1ccc(OC)c(Br)c1 ZINC000071228916 202342685 /nfs/dbraw/zinc/34/26/85/202342685.db2.gz QPJLXSPWGLBXOC-UHFFFAOYSA-N 2 2 344.253 2.232 10 0 EEAELP CCS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180123710 201031285 /nfs/dbraw/zinc/03/12/85/201031285.db2.gz YDSGAJSYWVERJK-AYHJJNSGSA-N 2 2 336.501 2.206 10 0 EEAELP CCS(=O)(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180123710 201031288 /nfs/dbraw/zinc/03/12/88/201031288.db2.gz YDSGAJSYWVERJK-AYHJJNSGSA-N 2 2 336.501 2.206 10 0 EEAELP COC(=O)c1ccc([C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)o1 ZINC000222196393 201033426 /nfs/dbraw/zinc/03/34/26/201033426.db2.gz DSXWHFGSFQVXCS-HZPDHXFCSA-N 2 2 349.475 2.229 10 0 EEAELP COC(=O)c1ccc([C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)o1 ZINC000222196393 201033429 /nfs/dbraw/zinc/03/34/29/201033429.db2.gz DSXWHFGSFQVXCS-HZPDHXFCSA-N 2 2 349.475 2.229 10 0 EEAELP C[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000422818110 240245829 /nfs/dbraw/zinc/24/58/29/240245829.db2.gz FPYKXZNIHOMCRW-UXPWSPDFSA-N 3 2 331.504 2.254 10 0 EEAELP C[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000422818110 240245832 /nfs/dbraw/zinc/24/58/32/240245832.db2.gz FPYKXZNIHOMCRW-UXPWSPDFSA-N 3 2 331.504 2.254 10 0 EEAELP c1ccc(CC[NH+]2CCC([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422840268 240254528 /nfs/dbraw/zinc/25/45/28/240254528.db2.gz BFTIFLBPTJWXNX-LEWJYISDSA-N 3 2 343.515 2.050 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCn2cnnc2C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422912585 240288103 /nfs/dbraw/zinc/28/81/03/240288103.db2.gz NLYUXIIYIZWPRC-ZWKOTPCHSA-N 2 2 341.459 2.247 10 0 EEAELP [NH3+]C[C@@H]1c2c(c(Cl)ccc2Cl)CN1CC[NH+]1CCOCC1 ZINC000071684317 203103545 /nfs/dbraw/zinc/10/35/45/203103545.db2.gz HVBYPNBDJWLDJF-CQSZACIVSA-N 2 2 330.259 2.141 10 0 EEAELP c1cn(C[C@@H]2CCOC2)c(-c2cccc(C[NH+]3CCOCC3)c2)[nH+]1 ZINC000077538030 203394426 /nfs/dbraw/zinc/39/44/26/203394426.db2.gz LLOIDVMOKUYGKE-KRWDZBQOSA-N 2 2 327.428 2.419 10 0 EEAELP COCC[NH+](CCOC)[C@H](c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000043020845 204198521 /nfs/dbraw/zinc/19/85/21/204198521.db2.gz IXEPWZJQZKWMLO-DOMZBBRYSA-N 2 2 345.281 2.432 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000109754279 204291620 /nfs/dbraw/zinc/29/16/20/204291620.db2.gz SHJWHPPRYLAFAD-GOSISDBHSA-N 2 2 345.487 2.060 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000109754279 204291625 /nfs/dbraw/zinc/29/16/25/204291625.db2.gz SHJWHPPRYLAFAD-GOSISDBHSA-N 2 2 345.487 2.060 10 0 EEAELP Brc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000422940911 532964202 /nfs/dbraw/zinc/96/42/02/532964202.db2.gz NSVRNDWCZOGCQR-WCQYABFASA-N 2 2 331.279 2.367 10 0 EEAELP CN(Cc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cncn1C ZINC000274291060 256371151 /nfs/dbraw/zinc/37/11/51/256371151.db2.gz GNLSWWUNUJBAOL-QZTJIDSGSA-N 2 2 330.480 2.029 10 0 EEAELP CN(Cc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cncn1C ZINC000274291060 256371153 /nfs/dbraw/zinc/37/11/53/256371153.db2.gz GNLSWWUNUJBAOL-QZTJIDSGSA-N 2 2 330.480 2.029 10 0 EEAELP CC[N@@H+]1CCC[C@@H](CN(C)c2cc(C)[nH+]cn2)[C@@H]1c1cnn(C)c1 ZINC000328628961 258030235 /nfs/dbraw/zinc/03/02/35/258030235.db2.gz OGLJQAATNZQLMC-MAUKXSAKSA-N 2 2 328.464 2.428 10 0 EEAELP CC[N@H+]1CCC[C@@H](CN(C)c2cc(C)[nH+]cn2)[C@@H]1c1cnn(C)c1 ZINC000328628961 258030237 /nfs/dbraw/zinc/03/02/37/258030237.db2.gz OGLJQAATNZQLMC-MAUKXSAKSA-N 2 2 328.464 2.428 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2ccccc2O)([NH+]2CCCCC2)CC1 ZINC000172751114 152114944 /nfs/dbraw/zinc/11/49/44/152114944.db2.gz QPURTOAHXRFPDA-UHFFFAOYSA-N 2 2 331.460 2.072 10 0 EEAELP COc1ccc(OC)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000374322439 286342701 /nfs/dbraw/zinc/34/27/01/286342701.db2.gz CZZOZLDOGHXFMO-LPHOPBHVSA-N 2 2 347.503 2.162 10 0 EEAELP COc1ccc(OC)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000374322439 286342704 /nfs/dbraw/zinc/34/27/04/286342704.db2.gz CZZOZLDOGHXFMO-LPHOPBHVSA-N 2 2 347.503 2.162 10 0 EEAELP CC[N@H+](CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000252736534 160393208 /nfs/dbraw/zinc/39/32/08/160393208.db2.gz XAVOXRUSOQIZBP-WMZOPIPTSA-N 2 2 337.414 2.311 10 0 EEAELP CC[N@@H+](CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000252736534 160393209 /nfs/dbraw/zinc/39/32/09/160393209.db2.gz XAVOXRUSOQIZBP-WMZOPIPTSA-N 2 2 337.414 2.311 10 0 EEAELP CC[NH+](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000252736534 160393211 /nfs/dbraw/zinc/39/32/11/160393211.db2.gz XAVOXRUSOQIZBP-WMZOPIPTSA-N 2 2 337.414 2.311 10 0 EEAELP CC[NH+](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000252736534 160393212 /nfs/dbraw/zinc/39/32/12/160393212.db2.gz XAVOXRUSOQIZBP-WMZOPIPTSA-N 2 2 337.414 2.311 10 0 EEAELP c1cn(CC[NH+]2CCN(Cc3nc(-c4ccccc4)co3)CC2)c[nH+]1 ZINC000131202146 292384328 /nfs/dbraw/zinc/38/43/28/292384328.db2.gz FFKZOTKZCNFHHL-UHFFFAOYSA-N 2 2 337.427 2.356 10 0 EEAELP C[C@@H](CC1CC1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074205346 159061706 /nfs/dbraw/zinc/06/17/06/159061706.db2.gz OUFUXSAJLXRMLX-INIZCTEOSA-N 2 2 336.524 2.425 10 0 EEAELP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000077248656 159097856 /nfs/dbraw/zinc/09/78/56/159097856.db2.gz ZGUDFQAANGEBFP-CYBMUJFWSA-N 2 2 335.414 2.203 10 0 EEAELP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000077248656 159097859 /nfs/dbraw/zinc/09/78/59/159097859.db2.gz ZGUDFQAANGEBFP-CYBMUJFWSA-N 2 2 335.414 2.203 10 0 EEAELP C[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@H+](C)C1CC1 ZINC000105140620 159297101 /nfs/dbraw/zinc/29/71/01/159297101.db2.gz CJIVRYIWRKQBGK-HNNXBMFYSA-N 2 2 341.459 2.213 10 0 EEAELP C[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@@H+](C)C1CC1 ZINC000105140620 159297102 /nfs/dbraw/zinc/29/71/02/159297102.db2.gz CJIVRYIWRKQBGK-HNNXBMFYSA-N 2 2 341.459 2.213 10 0 EEAELP Cc1cnccc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000120900532 159395193 /nfs/dbraw/zinc/39/51/93/159395193.db2.gz QHDWPFOHXMDPOL-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP C[C@@H]1CC[N@H+](CCn2cnc3ccccc3c2=O)C[C@H]1n1cc[nH+]c1 ZINC000245579704 160243225 /nfs/dbraw/zinc/24/32/25/160243225.db2.gz INDZCCKHXXKWQC-CRAIPNDOSA-N 2 2 337.427 2.176 10 0 EEAELP C[C@@H]1CC[N@@H+](CCn2cnc3ccccc3c2=O)C[C@H]1n1cc[nH+]c1 ZINC000245579704 160243227 /nfs/dbraw/zinc/24/32/27/160243227.db2.gz INDZCCKHXXKWQC-CRAIPNDOSA-N 2 2 337.427 2.176 10 0 EEAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000245885769 160255827 /nfs/dbraw/zinc/25/58/27/160255827.db2.gz AEFWWFUOMCQAJU-JKSUJKDBSA-N 2 2 335.496 2.185 10 0 EEAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000245885769 160255829 /nfs/dbraw/zinc/25/58/29/160255829.db2.gz AEFWWFUOMCQAJU-JKSUJKDBSA-N 2 2 335.496 2.185 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000245976927 160259458 /nfs/dbraw/zinc/25/94/58/160259458.db2.gz XERLSZTWUUMNSW-GDBMZVCRSA-N 2 2 344.463 2.461 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000245976927 160259459 /nfs/dbraw/zinc/25/94/59/160259459.db2.gz XERLSZTWUUMNSW-GDBMZVCRSA-N 2 2 344.463 2.461 10 0 EEAELP O=C([C@H]1CC12CC[NH+](CCCn1cc[nH+]c1)CC2)N1CCCCC1 ZINC000367762541 166001673 /nfs/dbraw/zinc/00/16/73/166001673.db2.gz DCINRXIZPZVBKK-QGZVFWFLSA-N 2 2 330.476 2.388 10 0 EEAELP COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1OC ZINC000355657049 163261646 /nfs/dbraw/zinc/26/16/46/163261646.db2.gz OIOHOZQJQXMLTO-UHFFFAOYSA-N 2 2 343.427 2.430 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372295 166247577 /nfs/dbraw/zinc/24/75/77/166247577.db2.gz HTAXACBPVBNBEL-KRWDZBQOSA-N 2 2 348.466 2.136 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372295 166247580 /nfs/dbraw/zinc/24/75/80/166247580.db2.gz HTAXACBPVBNBEL-KRWDZBQOSA-N 2 2 348.466 2.136 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)C2 ZINC000376625104 167363071 /nfs/dbraw/zinc/36/30/71/167363071.db2.gz CYJIJZPXKLXIAF-LSDHHAIUSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)CC2 ZINC000376625104 167363074 /nfs/dbraw/zinc/36/30/74/167363074.db2.gz CYJIJZPXKLXIAF-LSDHHAIUSA-N 2 2 332.492 2.486 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc2c1OCCO2 ZINC000083921502 274094427 /nfs/dbraw/zinc/09/44/27/274094427.db2.gz QZCAXJQAKVRDTA-CQSZACIVSA-N 2 2 329.400 2.330 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292045457 275367368 /nfs/dbraw/zinc/36/73/68/275367368.db2.gz AZTHLAVMFIPCTK-PXNSSMCTSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292045457 275367369 /nfs/dbraw/zinc/36/73/69/275367369.db2.gz AZTHLAVMFIPCTK-PXNSSMCTSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292045457 275367370 /nfs/dbraw/zinc/36/73/70/275367370.db2.gz AZTHLAVMFIPCTK-PXNSSMCTSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292045457 275367371 /nfs/dbraw/zinc/36/73/71/275367371.db2.gz AZTHLAVMFIPCTK-PXNSSMCTSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423017407 279369813 /nfs/dbraw/zinc/36/98/13/279369813.db2.gz WHKRSSOJKLPKBO-ZSGPHXLJSA-N 2 2 337.895 2.442 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376709935 279380524 /nfs/dbraw/zinc/38/05/24/279380524.db2.gz HFNKFHSGMXUQSG-AEFFLSMTSA-N 2 2 329.488 2.150 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376709935 279380527 /nfs/dbraw/zinc/38/05/27/279380527.db2.gz HFNKFHSGMXUQSG-AEFFLSMTSA-N 2 2 329.488 2.150 10 0 EEAELP c1ccc(C2(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCOCC2)cc1 ZINC000422850949 304854202 /nfs/dbraw/zinc/85/42/02/304854202.db2.gz WJNGCGMRXJRZGN-RBUKOAKNSA-N 2 2 330.472 2.091 10 0 EEAELP Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(C)[nH+]1 ZINC000333115630 312095184 /nfs/dbraw/zinc/09/51/84/312095184.db2.gz HGJMTURXRMENKX-NVXWUHKLSA-N 2 2 332.448 2.449 10 0 EEAELP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc[nH+]c2N(C)C)cc1 ZINC000417021633 313398576 /nfs/dbraw/zinc/39/85/76/313398576.db2.gz UJEOMWPRPAXUMY-ZDUSSCGKSA-N 2 2 327.432 2.167 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000421321825 314085034 /nfs/dbraw/zinc/08/50/34/314085034.db2.gz RUGXIZXKVPMQTK-AWEZNQCLSA-N 2 2 328.888 2.315 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000421321825 314085038 /nfs/dbraw/zinc/08/50/38/314085038.db2.gz RUGXIZXKVPMQTK-AWEZNQCLSA-N 2 2 328.888 2.315 10 0 EEAELP CC(C)n1ccc(C[C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)n1 ZINC000520393131 316857631 /nfs/dbraw/zinc/85/76/31/316857631.db2.gz DQYVOTGSYPHQNF-HNNXBMFYSA-N 2 2 328.464 2.312 10 0 EEAELP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000524273598 317012085 /nfs/dbraw/zinc/01/20/85/317012085.db2.gz DKICQFYROFGQHG-KRWDZBQOSA-N 2 2 339.443 2.250 10 0 EEAELP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000524273598 317012088 /nfs/dbraw/zinc/01/20/88/317012088.db2.gz DKICQFYROFGQHG-KRWDZBQOSA-N 2 2 339.443 2.250 10 0 EEAELP Fc1cc(Br)cnc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000527711731 317249565 /nfs/dbraw/zinc/24/95/65/317249565.db2.gz NYKGISGSXHFWIP-SECBINFHSA-N 2 2 325.185 2.353 10 0 EEAELP O[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC1(O)CCC1 ZINC000528492346 317399975 /nfs/dbraw/zinc/39/99/75/317399975.db2.gz KZIXNPUGZZSOMR-DOTOQJQBSA-N 2 2 333.476 2.065 10 0 EEAELP O[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC1(O)CCC1 ZINC000528492346 317399977 /nfs/dbraw/zinc/39/99/77/317399977.db2.gz KZIXNPUGZZSOMR-DOTOQJQBSA-N 2 2 333.476 2.065 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000547763816 318320319 /nfs/dbraw/zinc/32/03/19/318320319.db2.gz QLMXSVDDAJAZBH-KBPBESRZSA-N 2 2 327.432 2.452 10 0 EEAELP CC[C@@H]1C(=O)N(CC)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000547990057 318341553 /nfs/dbraw/zinc/34/15/53/318341553.db2.gz KRHROCBKGJGYPO-QGZVFWFLSA-N 2 2 327.432 2.018 10 0 EEAELP CC[C@@H]1C(=O)N(CC)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000547990057 318341554 /nfs/dbraw/zinc/34/15/54/318341554.db2.gz KRHROCBKGJGYPO-QGZVFWFLSA-N 2 2 327.432 2.018 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC([NH3+])CC2)c(C)c1 ZINC000557182885 318673257 /nfs/dbraw/zinc/67/32/57/318673257.db2.gz RLKXFLOCQYIBNB-GOSISDBHSA-N 2 2 341.459 2.374 10 0 EEAELP COc1cccc([C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000561055130 318821734 /nfs/dbraw/zinc/82/17/34/318821734.db2.gz DYJIOAXOMVJTLR-GOSISDBHSA-N 2 2 345.487 2.290 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000561146958 318826404 /nfs/dbraw/zinc/82/64/04/318826404.db2.gz KODUYUCVTXEAMV-HZPDHXFCSA-N 2 2 345.422 2.090 10 0 EEAELP CN1C(=O)C[C@H]([NH2+]CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562338650 318870709 /nfs/dbraw/zinc/87/07/09/318870709.db2.gz SHGOGUIGROLPAZ-GOEBONIOSA-N 2 2 336.798 2.237 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000563861308 319049489 /nfs/dbraw/zinc/04/94/89/319049489.db2.gz DQLSYWIRHHTNGX-LPHOPBHVSA-N 2 2 333.451 2.110 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000563861308 319049490 /nfs/dbraw/zinc/04/94/90/319049490.db2.gz DQLSYWIRHHTNGX-LPHOPBHVSA-N 2 2 333.451 2.110 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000564453518 319086283 /nfs/dbraw/zinc/08/62/83/319086283.db2.gz LYEQVNBNLHBDPR-IFXJQAMLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000564453518 319086284 /nfs/dbraw/zinc/08/62/84/319086284.db2.gz LYEQVNBNLHBDPR-IFXJQAMLSA-N 2 2 347.459 2.106 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000567581206 319393110 /nfs/dbraw/zinc/39/31/10/319393110.db2.gz GVDKBWHNUCTXCE-SFHVURJKSA-N 2 2 333.480 2.166 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000567581206 319393112 /nfs/dbraw/zinc/39/31/12/319393112.db2.gz GVDKBWHNUCTXCE-SFHVURJKSA-N 2 2 333.480 2.166 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572877747 319885839 /nfs/dbraw/zinc/88/58/39/319885839.db2.gz YYMCNOQEKOAVDQ-XYPWUTKMSA-N 2 2 326.444 2.476 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)s1 ZINC000574987207 320077370 /nfs/dbraw/zinc/07/73/70/320077370.db2.gz MDLFCLKYEZETKJ-ZIAGYGMSSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1ccc([C@H](CNC(=O)NCCc2cn(C)c[nH+]2)[NH+]2CCCC2)o1 ZINC000458185484 323604017 /nfs/dbraw/zinc/60/40/17/323604017.db2.gz LVAOJLWBIXEZLY-INIZCTEOSA-N 2 2 345.447 2.000 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000580952163 324157577 /nfs/dbraw/zinc/15/75/77/324157577.db2.gz KXXKFYSKSPSKBR-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000580952163 324157581 /nfs/dbraw/zinc/15/75/81/324157581.db2.gz KXXKFYSKSPSKBR-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000581429941 324252516 /nfs/dbraw/zinc/25/25/16/324252516.db2.gz QTRXLJNERFALND-QGZVFWFLSA-N 2 2 337.851 2.363 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000581429941 324252518 /nfs/dbraw/zinc/25/25/18/324252518.db2.gz QTRXLJNERFALND-QGZVFWFLSA-N 2 2 337.851 2.363 10 0 EEAELP OCC1([NH2+]CC2CC2)CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000583755935 324726664 /nfs/dbraw/zinc/72/66/64/324726664.db2.gz JNXOZWWNKHRAEY-UHFFFAOYSA-N 2 2 340.471 2.199 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000542781384 448718813 /nfs/dbraw/zinc/71/88/13/448718813.db2.gz LJEYLDLDYDZYDW-UHFFFAOYSA-N 2 2 338.415 2.083 10 0 EEAELP OCCC[N@@H+]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624248905 450763152 /nfs/dbraw/zinc/76/31/52/450763152.db2.gz IQNIOHQTLQPPJD-AWEZNQCLSA-N 2 2 325.416 2.141 10 0 EEAELP OCCC[N@H+]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624248905 450763155 /nfs/dbraw/zinc/76/31/55/450763155.db2.gz IQNIOHQTLQPPJD-AWEZNQCLSA-N 2 2 325.416 2.141 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000358320458 465056567 /nfs/dbraw/zinc/05/65/67/465056567.db2.gz POVLLCKAFAOMTB-XNRPHZJLSA-N 2 2 330.394 2.396 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000358320458 465056572 /nfs/dbraw/zinc/05/65/72/465056572.db2.gz POVLLCKAFAOMTB-XNRPHZJLSA-N 2 2 330.394 2.396 10 0 EEAELP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000339438746 465275274 /nfs/dbraw/zinc/27/52/74/465275274.db2.gz XTPDLHJQHZXWGM-ZBFHGGJFSA-N 2 2 347.425 2.205 10 0 EEAELP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000339438746 465275278 /nfs/dbraw/zinc/27/52/78/465275278.db2.gz XTPDLHJQHZXWGM-ZBFHGGJFSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000339438746 465275282 /nfs/dbraw/zinc/27/52/82/465275282.db2.gz XTPDLHJQHZXWGM-ZBFHGGJFSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)C2)C1 ZINC000339438746 465275287 /nfs/dbraw/zinc/27/52/87/465275287.db2.gz XTPDLHJQHZXWGM-ZBFHGGJFSA-N 2 2 347.425 2.205 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568149356 468279122 /nfs/dbraw/zinc/27/91/22/468279122.db2.gz JOLRWPZSHRJJTP-UHFFFAOYSA-N 2 2 345.821 2.358 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568149356 468279125 /nfs/dbraw/zinc/27/91/25/468279125.db2.gz JOLRWPZSHRJJTP-UHFFFAOYSA-N 2 2 345.821 2.358 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000551986178 468290217 /nfs/dbraw/zinc/29/02/17/468290217.db2.gz WBOGYTORDZRWQH-DVOMOZLQSA-N 2 2 328.416 2.418 10 0 EEAELP Cc1cc(NCC2([NH+](C)C)CCOCC2)nc(-c2cccnc2)[nH+]1 ZINC000113925387 462616373 /nfs/dbraw/zinc/61/63/73/462616373.db2.gz JQLJESKMKBOBJY-UHFFFAOYSA-N 2 2 327.432 2.370 10 0 EEAELP COC[C@H](O)C[NH+]1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000089409719 462676932 /nfs/dbraw/zinc/67/69/32/462676932.db2.gz RNWYURKDVODFLB-CYBMUJFWSA-N 2 2 330.831 2.040 10 0 EEAELP O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000065382864 462760982 /nfs/dbraw/zinc/76/09/82/462760982.db2.gz BXWNHYMVFLYJFF-INIZCTEOSA-N 2 2 340.427 2.038 10 0 EEAELP O=C(Nc1c[nH+]c2n1CCCC2)c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000065382864 462760986 /nfs/dbraw/zinc/76/09/86/462760986.db2.gz BXWNHYMVFLYJFF-INIZCTEOSA-N 2 2 340.427 2.038 10 0 EEAELP Cc1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1F ZINC000121045600 463069983 /nfs/dbraw/zinc/06/99/83/463069983.db2.gz XSHAZAKRJSCPOM-LJQANCHMSA-N 2 2 349.494 2.361 10 0 EEAELP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1O ZINC000121208758 463097108 /nfs/dbraw/zinc/09/71/08/463097108.db2.gz AHWCBAVGQATFHN-UHFFFAOYSA-N 2 2 344.459 2.194 10 0 EEAELP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1O ZINC000121208758 463097111 /nfs/dbraw/zinc/09/71/11/463097111.db2.gz AHWCBAVGQATFHN-UHFFFAOYSA-N 2 2 344.459 2.194 10 0 EEAELP COCC[NH+]1CCC(C[N@H+](Cc2cc[nH]n2)Cc2ccncc2)CC1 ZINC000055182882 463292809 /nfs/dbraw/zinc/29/28/09/463292809.db2.gz RIHSFFDMLQMISX-UHFFFAOYSA-N 2 2 343.475 2.165 10 0 EEAELP COCC[NH+]1CCC(C[N@@H+](Cc2cc[nH]n2)Cc2ccncc2)CC1 ZINC000055182882 463292815 /nfs/dbraw/zinc/29/28/15/463292815.db2.gz RIHSFFDMLQMISX-UHFFFAOYSA-N 2 2 343.475 2.165 10 0 EEAELP Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000071882211 463453783 /nfs/dbraw/zinc/45/37/83/463453783.db2.gz NARPTSJSHNLICF-HLIPFELVSA-N 2 2 342.487 2.150 10 0 EEAELP Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000071882211 463453785 /nfs/dbraw/zinc/45/37/85/463453785.db2.gz NARPTSJSHNLICF-HLIPFELVSA-N 2 2 342.487 2.150 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC000072255123 463488656 /nfs/dbraw/zinc/48/86/56/463488656.db2.gz OHYOTHRSQXJLNA-PKOBYXMFSA-N 2 2 338.455 2.460 10 0 EEAELP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1)C(C)C ZINC000058393849 463591271 /nfs/dbraw/zinc/59/12/71/463591271.db2.gz KPBFYIABZUBIAP-QGZVFWFLSA-N 2 2 347.503 2.367 10 0 EEAELP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1)C(C)C ZINC000058393849 463591274 /nfs/dbraw/zinc/59/12/74/463591274.db2.gz KPBFYIABZUBIAP-QGZVFWFLSA-N 2 2 347.503 2.367 10 0 EEAELP CC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000126633502 463652658 /nfs/dbraw/zinc/65/26/58/463652658.db2.gz USROXAAJDQPFRM-OAHLLOKOSA-N 2 2 329.444 2.445 10 0 EEAELP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000167319025 463662243 /nfs/dbraw/zinc/66/22/43/463662243.db2.gz DOHHMIKUVMRTGT-UHOSZYNNSA-N 2 2 345.487 2.036 10 0 EEAELP C[NH+]1CCN(N2C[NH+]=Cc3nc(Nc4ccccc4)sc32)CC1 ZINC000257352247 463788725 /nfs/dbraw/zinc/78/87/25/463788725.db2.gz JZQHWQJAYZOGIX-UHFFFAOYSA-N 2 2 328.445 2.246 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923049 463810382 /nfs/dbraw/zinc/81/03/82/463810382.db2.gz XHKUBFQLYMRWNS-QKNQBKEWSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923049 463810388 /nfs/dbraw/zinc/81/03/88/463810388.db2.gz XHKUBFQLYMRWNS-QKNQBKEWSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000269029849 463849743 /nfs/dbraw/zinc/84/97/43/463849743.db2.gz RYHVAICBLUKWPJ-DYXWJJEUSA-N 3 2 345.531 2.455 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000269029849 463849751 /nfs/dbraw/zinc/84/97/51/463849751.db2.gz RYHVAICBLUKWPJ-DYXWJJEUSA-N 3 2 345.531 2.455 10 0 EEAELP Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171366311 463852513 /nfs/dbraw/zinc/85/25/13/463852513.db2.gz WTWONVSBOVCBCD-HNNXBMFYSA-N 2 2 328.464 2.456 10 0 EEAELP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000261961659 463912298 /nfs/dbraw/zinc/91/22/98/463912298.db2.gz PRRNBRWLSXUUMC-OAGGEKHMSA-N 2 2 337.851 2.025 10 0 EEAELP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000523291990 468386682 /nfs/dbraw/zinc/38/66/82/468386682.db2.gz PISXRAJGYDEKDY-UHFFFAOYSA-N 2 2 342.447 2.074 10 0 EEAELP C[NH+]1CCC(CNC(=O)CNc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000178891138 464003980 /nfs/dbraw/zinc/00/39/80/464003980.db2.gz KUMMTABNDZSJCC-UHFFFAOYSA-N 2 2 344.503 2.165 10 0 EEAELP Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)n(C)n1 ZINC000180664986 464364614 /nfs/dbraw/zinc/36/46/14/464364614.db2.gz ANDRMSAKSJLGAQ-AWEZNQCLSA-N 2 2 338.415 2.204 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)NCC[C@H]3CCC[NH2+]C3)cn2c1 ZINC000237904844 464400720 /nfs/dbraw/zinc/40/07/20/464400720.db2.gz NZRIFQLRWBXRAY-OAHLLOKOSA-N 2 2 346.500 2.382 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000272029841 464453645 /nfs/dbraw/zinc/45/36/45/464453645.db2.gz WNKJYSXPCUDFPZ-CQSZACIVSA-N 2 2 346.397 2.396 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000272029841 464453647 /nfs/dbraw/zinc/45/36/47/464453647.db2.gz WNKJYSXPCUDFPZ-CQSZACIVSA-N 2 2 346.397 2.396 10 0 EEAELP Cc1cccc2[nH+]c(CN3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cn21 ZINC000264760870 464453954 /nfs/dbraw/zinc/45/39/54/464453954.db2.gz YYTUWQCLKJZXBV-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccc2[nH+]c(CN3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cn21 ZINC000264760870 464453959 /nfs/dbraw/zinc/45/39/59/464453959.db2.gz YYTUWQCLKJZXBV-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)CCO1 ZINC000181569283 464508117 /nfs/dbraw/zinc/50/81/17/464508117.db2.gz ZSKLJDGYXCCWTR-HNNXBMFYSA-N 2 2 326.481 2.293 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)CCO1 ZINC000181569283 464508121 /nfs/dbraw/zinc/50/81/21/464508121.db2.gz ZSKLJDGYXCCWTR-HNNXBMFYSA-N 2 2 326.481 2.293 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000175725056 464610151 /nfs/dbraw/zinc/61/01/51/464610151.db2.gz VFLSWTZTKRRSFV-VQIMIIECSA-N 2 2 347.503 2.316 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000175725056 464610159 /nfs/dbraw/zinc/61/01/59/464610159.db2.gz VFLSWTZTKRRSFV-VQIMIIECSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000175725056 464610166 /nfs/dbraw/zinc/61/01/66/464610166.db2.gz VFLSWTZTKRRSFV-VQIMIIECSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000175725056 464610173 /nfs/dbraw/zinc/61/01/73/464610173.db2.gz VFLSWTZTKRRSFV-VQIMIIECSA-N 2 2 347.503 2.316 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)CCO1 ZINC000182258961 464612737 /nfs/dbraw/zinc/61/27/37/464612737.db2.gz CJNGPTCNNQKOBV-FXAWDEMLSA-N 2 2 332.488 2.165 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)CCO1 ZINC000182258961 464612743 /nfs/dbraw/zinc/61/27/43/464612743.db2.gz CJNGPTCNNQKOBV-FXAWDEMLSA-N 2 2 332.488 2.165 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176235685 464726684 /nfs/dbraw/zinc/72/66/84/464726684.db2.gz QVRSGVRLZRWKHH-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176235685 464726689 /nfs/dbraw/zinc/72/66/89/464726689.db2.gz QVRSGVRLZRWKHH-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000176235685 464726696 /nfs/dbraw/zinc/72/66/96/464726696.db2.gz QVRSGVRLZRWKHH-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000176235685 464726704 /nfs/dbraw/zinc/72/67/04/464726704.db2.gz QVRSGVRLZRWKHH-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP C[N@H+](CCN1CCC[C@H]1C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000248545518 464761926 /nfs/dbraw/zinc/76/19/26/464761926.db2.gz FBTRVWXTIDGNJL-IBGZPJMESA-N 2 2 335.467 2.054 10 0 EEAELP C[N@@H+](CCN1CCC[C@H]1C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000248545518 464761931 /nfs/dbraw/zinc/76/19/31/464761931.db2.gz FBTRVWXTIDGNJL-IBGZPJMESA-N 2 2 335.467 2.054 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266762472 464812918 /nfs/dbraw/zinc/81/29/18/464812918.db2.gz PLTUEKQHHUXEEM-IAGOWNOFSA-N 2 2 341.459 2.411 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266762472 464812921 /nfs/dbraw/zinc/81/29/21/464812921.db2.gz PLTUEKQHHUXEEM-IAGOWNOFSA-N 2 2 341.459 2.411 10 0 EEAELP c1cc([C@H]2CCC[N@@H+]2CCOCC[NH+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286200339 464837488 /nfs/dbraw/zinc/83/74/88/464837488.db2.gz PYGQJKYVSZMVJE-HDICACEKSA-N 2 2 344.463 2.123 10 0 EEAELP c1cc([C@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286200339 464837493 /nfs/dbraw/zinc/83/74/93/464837493.db2.gz PYGQJKYVSZMVJE-HDICACEKSA-N 2 2 344.463 2.123 10 0 EEAELP c1cc([C@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286200339 464837500 /nfs/dbraw/zinc/83/75/00/464837500.db2.gz PYGQJKYVSZMVJE-HDICACEKSA-N 2 2 344.463 2.123 10 0 EEAELP Cn1c[nH+]cc1CN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000176988450 464901080 /nfs/dbraw/zinc/90/10/80/464901080.db2.gz XWDTWNKJPJKCCI-UHFFFAOYSA-N 2 2 334.851 2.270 10 0 EEAELP COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000252511821 464977166 /nfs/dbraw/zinc/97/71/66/464977166.db2.gz KZLPCNFGONHEPN-IKGGRYGDSA-N 2 2 343.471 2.407 10 0 EEAELP COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000252511821 464977167 /nfs/dbraw/zinc/97/71/67/464977167.db2.gz KZLPCNFGONHEPN-IKGGRYGDSA-N 2 2 343.471 2.407 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000177379561 464999794 /nfs/dbraw/zinc/99/97/94/464999794.db2.gz GRTROVUTNXQXDV-KBPBESRZSA-N 2 2 337.439 2.038 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000343156497 465484356 /nfs/dbraw/zinc/48/43/56/465484356.db2.gz YLACJDSTVSTIQZ-OLMNPRSZSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000343156497 465484362 /nfs/dbraw/zinc/48/43/62/465484362.db2.gz YLACJDSTVSTIQZ-OLMNPRSZSA-N 2 2 337.895 2.253 10 0 EEAELP O=C1NCCC[C@@H]1[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000362318619 465653798 /nfs/dbraw/zinc/65/37/98/465653798.db2.gz DPRCRLVDRJAHMF-FHWLQOOXSA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000362318619 465653807 /nfs/dbraw/zinc/65/38/07/465653807.db2.gz DPRCRLVDRJAHMF-FHWLQOOXSA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000362318619 465653812 /nfs/dbraw/zinc/65/38/12/465653812.db2.gz DPRCRLVDRJAHMF-FHWLQOOXSA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000362318619 465653821 /nfs/dbraw/zinc/65/38/21/465653821.db2.gz DPRCRLVDRJAHMF-FHWLQOOXSA-N 2 2 327.472 2.252 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366554485 465799285 /nfs/dbraw/zinc/79/92/85/465799285.db2.gz MBVLUIPUXWCBKR-INIZCTEOSA-N 2 2 341.908 2.388 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366554485 465799316 /nfs/dbraw/zinc/79/93/16/465799316.db2.gz MBVLUIPUXWCBKR-INIZCTEOSA-N 2 2 341.908 2.388 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366554485 465799320 /nfs/dbraw/zinc/79/93/20/465799320.db2.gz MBVLUIPUXWCBKR-INIZCTEOSA-N 2 2 341.908 2.388 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366554485 465799325 /nfs/dbraw/zinc/79/93/25/465799325.db2.gz MBVLUIPUXWCBKR-INIZCTEOSA-N 2 2 341.908 2.388 10 0 EEAELP C[C@@H]1CCCN(c2cc(NC[C@H](c3cnn(C)c3)[NH+](C)C)nc[nH+]2)C1 ZINC000301291197 465937699 /nfs/dbraw/zinc/93/76/99/465937699.db2.gz PGHVCNVPTAJQMQ-GDBMZVCRSA-N 2 2 343.479 2.161 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000353826192 466179189 /nfs/dbraw/zinc/17/91/89/466179189.db2.gz MBKGLFBPWXCZBL-KRWDZBQOSA-N 2 2 340.471 3.027 10 0 EEAELP C[N@H+]1CCCC[C@H]1CCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000353826192 466179200 /nfs/dbraw/zinc/17/92/00/466179200.db2.gz MBKGLFBPWXCZBL-KRWDZBQOSA-N 2 2 340.471 3.027 10 0 EEAELP COC(=O)[C@H](C)[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCC1 ZINC000361654220 466182623 /nfs/dbraw/zinc/18/26/23/466182623.db2.gz KGOMTAVCPQDDJB-AWEZNQCLSA-N 2 2 328.416 2.492 10 0 EEAELP COC(=O)[C@H](C)[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCC1 ZINC000361654220 466182626 /nfs/dbraw/zinc/18/26/26/466182626.db2.gz KGOMTAVCPQDDJB-AWEZNQCLSA-N 2 2 328.416 2.492 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000591522204 468479772 /nfs/dbraw/zinc/47/97/72/468479772.db2.gz BAILKMINMSFDFY-CRAIPNDOSA-N 2 2 346.475 2.296 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000591522204 468479776 /nfs/dbraw/zinc/47/97/76/468479776.db2.gz BAILKMINMSFDFY-CRAIPNDOSA-N 2 2 346.475 2.296 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000372377302 466340210 /nfs/dbraw/zinc/34/02/10/466340210.db2.gz QZHIYKWCUWKFQG-WBVHZDCISA-N 2 2 332.835 2.488 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000372377302 466340215 /nfs/dbraw/zinc/34/02/15/466340215.db2.gz QZHIYKWCUWKFQG-WBVHZDCISA-N 2 2 332.835 2.488 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367538612 466401434 /nfs/dbraw/zinc/40/14/34/466401434.db2.gz QXOHPSVLSUJAQU-HKBOAZHASA-N 3 2 343.515 2.481 10 0 EEAELP CO[C@@H](C)C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000354452367 466579424 /nfs/dbraw/zinc/57/94/24/466579424.db2.gz MMPGASNGTIDGGH-SFHVURJKSA-N 2 2 347.503 2.076 10 0 EEAELP CO[C@@H](C)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000354452367 466579431 /nfs/dbraw/zinc/57/94/31/466579431.db2.gz MMPGASNGTIDGGH-SFHVURJKSA-N 2 2 347.503 2.076 10 0 EEAELP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000320466052 466609952 /nfs/dbraw/zinc/60/99/52/466609952.db2.gz LAFCCENSJHCPEN-ULQDDVLXSA-N 2 2 333.501 2.313 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1NC(C)=O ZINC000363787234 466616409 /nfs/dbraw/zinc/61/64/09/466616409.db2.gz XBPWBIOEDJODDY-IAOVAPTHSA-N 2 2 347.459 2.167 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1NC(C)=O ZINC000363787234 466616419 /nfs/dbraw/zinc/61/64/19/466616419.db2.gz XBPWBIOEDJODDY-IAOVAPTHSA-N 2 2 347.459 2.167 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423251115 466703244 /nfs/dbraw/zinc/70/32/44/466703244.db2.gz WBLNXTSGVKKQME-RDTXWAMCSA-N 2 2 347.484 2.288 10 0 EEAELP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423248286 466703620 /nfs/dbraw/zinc/70/36/20/466703620.db2.gz RKNIJIVGKUNLMZ-YJBOKZPZSA-N 2 2 332.469 2.447 10 0 EEAELP O=C(NCC[C@H]1CCC[NH2+]C1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417081262 466774302 /nfs/dbraw/zinc/77/43/02/466774302.db2.gz TZKUHCREYGSJDM-MRXNPFEDSA-N 2 2 341.459 2.120 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000370193795 466793017 /nfs/dbraw/zinc/79/30/17/466793017.db2.gz LNAITHNOZZPGGL-UHFFFAOYSA-N 2 2 325.416 2.014 10 0 EEAELP C[NH+]1CCC(CNC(=O)Nc2cncc(F)c2)([NH+]2CCCCC2)CC1 ZINC000370248376 466812143 /nfs/dbraw/zinc/81/21/43/466812143.db2.gz BMRNFXKVKRZEHR-UHFFFAOYSA-N 2 2 349.454 2.293 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1nccs1 ZINC000370305119 466831594 /nfs/dbraw/zinc/83/15/94/466831594.db2.gz GLJYCKDZMKXRSO-CYBMUJFWSA-N 2 2 345.472 2.494 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1nccs1 ZINC000370305119 466831599 /nfs/dbraw/zinc/83/15/99/466831599.db2.gz GLJYCKDZMKXRSO-CYBMUJFWSA-N 2 2 345.472 2.494 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423838816 466870025 /nfs/dbraw/zinc/87/00/25/466870025.db2.gz XXGBJXWXMJSNBX-HSHDSVGOSA-N 2 2 337.414 2.214 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423838816 466870028 /nfs/dbraw/zinc/87/00/28/466870028.db2.gz XXGBJXWXMJSNBX-HSHDSVGOSA-N 2 2 337.414 2.214 10 0 EEAELP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000424136402 466986925 /nfs/dbraw/zinc/98/69/25/466986925.db2.gz AOHZVMLYRDDPRR-AZUAARDMSA-N 2 2 342.487 2.437 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH2+]Cc2c[nH+]cn2C(C)C)C1=O ZINC000424156417 466992198 /nfs/dbraw/zinc/99/21/98/466992198.db2.gz PGEOFOXRJZXQNX-OAHLLOKOSA-N 2 2 328.416 2.368 10 0 EEAELP Cc1nc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000370977213 467061796 /nfs/dbraw/zinc/06/17/96/467061796.db2.gz ZHSIILAODAOGGO-OAHLLOKOSA-N 2 2 336.505 2.000 10 0 EEAELP Cc1nc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000370977213 467061800 /nfs/dbraw/zinc/06/18/00/467061800.db2.gz ZHSIILAODAOGGO-OAHLLOKOSA-N 2 2 336.505 2.000 10 0 EEAELP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000378044316 467186088 /nfs/dbraw/zinc/18/60/88/467186088.db2.gz AHCHIIMFHHXJJZ-INIZCTEOSA-N 2 2 347.507 2.324 10 0 EEAELP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000378044316 467186090 /nfs/dbraw/zinc/18/60/90/467186090.db2.gz AHCHIIMFHHXJJZ-INIZCTEOSA-N 2 2 347.507 2.324 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420379478 467386115 /nfs/dbraw/zinc/38/61/15/467386115.db2.gz RCWDPGCXNFOUGY-OXJNMPFZSA-N 2 2 345.487 2.290 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420379478 467386118 /nfs/dbraw/zinc/38/61/18/467386118.db2.gz RCWDPGCXNFOUGY-OXJNMPFZSA-N 2 2 345.487 2.290 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000397585587 467443478 /nfs/dbraw/zinc/44/34/78/467443478.db2.gz IWXALPVRJMBHFF-HKUYNNGSSA-N 3 2 343.515 2.228 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000397585587 467443480 /nfs/dbraw/zinc/44/34/80/467443480.db2.gz IWXALPVRJMBHFF-HKUYNNGSSA-N 3 2 343.515 2.228 10 0 EEAELP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000454254701 467579954 /nfs/dbraw/zinc/57/99/54/467579954.db2.gz AYRKJZYRFZMGEL-KRWDZBQOSA-N 2 2 347.507 2.457 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1CCCO ZINC000449389512 467635957 /nfs/dbraw/zinc/63/59/57/467635957.db2.gz SLNZHYIKLJNDIW-KRWDZBQOSA-N 2 2 328.460 2.024 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1CCCO ZINC000449389512 467635958 /nfs/dbraw/zinc/63/59/58/467635958.db2.gz SLNZHYIKLJNDIW-KRWDZBQOSA-N 2 2 328.460 2.024 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514938365 467964357 /nfs/dbraw/zinc/96/43/57/467964357.db2.gz GNXGQJHNQQYCIN-RZQQEMMASA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514938365 467964360 /nfs/dbraw/zinc/96/43/60/467964360.db2.gz GNXGQJHNQQYCIN-RZQQEMMASA-N 2 2 327.472 2.428 10 0 EEAELP CCc1ccc(C[NH+]2CCN(c3nc(C)[nH+]c(N(C)C)n3)CC2)s1 ZINC000488409799 468085769 /nfs/dbraw/zinc/08/57/69/468085769.db2.gz SBFKJMZBNAPRCN-UHFFFAOYSA-N 2 2 346.504 2.192 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000533084956 468167438 /nfs/dbraw/zinc/16/74/38/468167438.db2.gz FYYDCLOETCPKAA-SJLPKXTDSA-N 2 2 326.444 2.309 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000533084956 468167441 /nfs/dbraw/zinc/16/74/41/468167441.db2.gz FYYDCLOETCPKAA-SJLPKXTDSA-N 2 2 326.444 2.309 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000577191128 468180635 /nfs/dbraw/zinc/18/06/35/468180635.db2.gz BNGXVOGDCVDBCC-OAHLLOKOSA-N 2 2 326.444 2.926 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000577191128 468180638 /nfs/dbraw/zinc/18/06/38/468180638.db2.gz BNGXVOGDCVDBCC-OAHLLOKOSA-N 2 2 326.444 2.926 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519638654 468186699 /nfs/dbraw/zinc/18/66/99/468186699.db2.gz ACHZJOZEQUWNJT-JYJNAYRXSA-N 2 2 339.842 2.468 10 0 EEAELP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000578508331 468210373 /nfs/dbraw/zinc/21/03/73/468210373.db2.gz LWUUORSAPGJODK-HOTGVXAUSA-N 2 2 334.464 2.446 10 0 EEAELP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000578545282 468216563 /nfs/dbraw/zinc/21/65/63/468216563.db2.gz LNWFIWVUFRIETI-GOSISDBHSA-N 2 2 348.487 2.267 10 0 EEAELP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000578545282 468216565 /nfs/dbraw/zinc/21/65/65/468216565.db2.gz LNWFIWVUFRIETI-GOSISDBHSA-N 2 2 348.487 2.267 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)NC(C)(C)c3[nH]cc[nH+]3)cc2)CC1 ZINC000582246813 468512633 /nfs/dbraw/zinc/51/26/33/468512633.db2.gz RDCUIQVVIPAMLD-UHFFFAOYSA-N 2 2 341.459 2.217 10 0 EEAELP CCOC(=O)C1CCC(O)(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000600754015 468648737 /nfs/dbraw/zinc/64/87/37/468648737.db2.gz DICZGULUFLUMNP-URSIVYNOSA-N 2 2 338.492 2.077 10 0 EEAELP CCOC(=O)C1CCC(O)(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000600754015 468648741 /nfs/dbraw/zinc/64/87/41/468648741.db2.gz DICZGULUFLUMNP-URSIVYNOSA-N 2 2 338.492 2.077 10 0 EEAELP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000572959729 469029609 /nfs/dbraw/zinc/02/96/09/469029609.db2.gz VUJAVXUZIMPABT-CQSZACIVSA-N 2 2 335.839 2.223 10 0 EEAELP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000572959729 469029616 /nfs/dbraw/zinc/02/96/16/469029616.db2.gz VUJAVXUZIMPABT-CQSZACIVSA-N 2 2 335.839 2.223 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)CC2)[nH+]c1 ZINC000599864182 469396846 /nfs/dbraw/zinc/39/68/46/469396846.db2.gz BMMKZSWMGVJSPY-GOSISDBHSA-N 2 2 342.487 2.302 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)CC2)[nH+]c1 ZINC000599864182 469396853 /nfs/dbraw/zinc/39/68/53/469396853.db2.gz BMMKZSWMGVJSPY-GOSISDBHSA-N 2 2 342.487 2.302 10 0 EEAELP CN(C(=O)C[NH+]1CC(C)(C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000622407017 469435702 /nfs/dbraw/zinc/43/57/02/469435702.db2.gz GHEXQSVFGJGJAQ-SFHVURJKSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629511904 469569711 /nfs/dbraw/zinc/56/97/11/469569711.db2.gz CBQOVABEWBTLNQ-SMDDNHRTSA-N 2 2 326.366 2.487 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000617012963 469571903 /nfs/dbraw/zinc/57/19/03/469571903.db2.gz LBUFNTGCWKSCRV-IAGOWNOFSA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000617012963 469571908 /nfs/dbraw/zinc/57/19/08/469571908.db2.gz LBUFNTGCWKSCRV-IAGOWNOFSA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000617012963 469571910 /nfs/dbraw/zinc/57/19/10/469571910.db2.gz LBUFNTGCWKSCRV-IAGOWNOFSA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000617012963 469571912 /nfs/dbraw/zinc/57/19/12/469571912.db2.gz LBUFNTGCWKSCRV-IAGOWNOFSA-N 2 2 330.476 2.035 10 0 EEAELP COC(=O)C(C)(C)CC[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000619426816 469603277 /nfs/dbraw/zinc/60/32/77/469603277.db2.gz JCPPNEFVYAEXMW-HXUWFJFHSA-N 2 2 348.487 2.192 10 0 EEAELP COC(=O)C(C)(C)CC[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000619426816 469603284 /nfs/dbraw/zinc/60/32/84/469603284.db2.gz JCPPNEFVYAEXMW-HXUWFJFHSA-N 2 2 348.487 2.192 10 0 EEAELP COc1ncc(Br)cc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000623664839 469728007 /nfs/dbraw/zinc/72/80/07/469728007.db2.gz PZQUJPIMUQCQPN-UHFFFAOYSA-N 2 2 325.210 2.184 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C[NH2+]1 ZINC000626981258 469776401 /nfs/dbraw/zinc/77/64/01/469776401.db2.gz ZLNUCHJVFMEVHJ-TYNCELHUSA-N 2 2 340.418 2.007 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(C(F)(F)F)CCCCC1 ZINC000617763444 469795743 /nfs/dbraw/zinc/79/57/43/469795743.db2.gz ROQHRKGRSBUEPZ-UHFFFAOYSA-N 2 2 337.430 2.499 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(C(F)(F)F)CCCCC1 ZINC000617763444 469795747 /nfs/dbraw/zinc/79/57/47/469795747.db2.gz ROQHRKGRSBUEPZ-UHFFFAOYSA-N 2 2 337.430 2.499 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(-c2ccco2)s1 ZINC000617766428 469797823 /nfs/dbraw/zinc/79/78/23/469797823.db2.gz JUPWDQJPTMHSGB-UHFFFAOYSA-N 2 2 336.461 2.016 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(-c2ccco2)s1 ZINC000617766428 469797827 /nfs/dbraw/zinc/79/78/27/469797827.db2.gz JUPWDQJPTMHSGB-UHFFFAOYSA-N 2 2 336.461 2.016 10 0 EEAELP Cc1cc(Cl)ccc1OCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768842 469799204 /nfs/dbraw/zinc/79/92/04/469799204.db2.gz XAKOOFSLMMPQTJ-UHFFFAOYSA-N 2 2 341.883 2.027 10 0 EEAELP Cc1cc(Cl)ccc1OCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768842 469799209 /nfs/dbraw/zinc/79/92/09/469799209.db2.gz XAKOOFSLMMPQTJ-UHFFFAOYSA-N 2 2 341.883 2.027 10 0 EEAELP c1[nH+]cn2c1c(N1CCC[C@H]1C[NH+]1CCOCC1)nc1ccccc12 ZINC000624117097 469846087 /nfs/dbraw/zinc/84/60/87/469846087.db2.gz GQRMCMUZBFHILC-HNNXBMFYSA-N 2 2 337.427 2.184 10 0 EEAELP C[C@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1[nH+]ccn1C ZINC000620606282 469873326 /nfs/dbraw/zinc/87/33/26/469873326.db2.gz PCBIKONRPGJUKT-JTQLQIEISA-N 2 2 346.341 2.429 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)CC2 ZINC000627569997 469938995 /nfs/dbraw/zinc/93/89/95/469938995.db2.gz QCFZSOUJMPFJKL-IRXDYDNUSA-N 2 2 332.492 2.381 10 0 EEAELP C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000620965246 469961275 /nfs/dbraw/zinc/96/12/75/469961275.db2.gz KNZXULYMOHCWKM-SFHVURJKSA-N 2 2 342.443 2.055 10 0 EEAELP COc1nc(C)cc(C)c1C[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000621778707 470105970 /nfs/dbraw/zinc/10/59/70/470105970.db2.gz UHHWYYYPUQCNJC-OALUTQOASA-N 2 2 343.471 2.070 10 0 EEAELP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000621778707 470105973 /nfs/dbraw/zinc/10/59/73/470105973.db2.gz UHHWYYYPUQCNJC-OALUTQOASA-N 2 2 343.471 2.070 10 0 EEAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000625332145 470121038 /nfs/dbraw/zinc/12/10/38/470121038.db2.gz FQJXFVPVXZNIFF-MOPGFXCFSA-N 2 2 334.504 2.399 10 0 EEAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000625332145 470121041 /nfs/dbraw/zinc/12/10/41/470121041.db2.gz FQJXFVPVXZNIFF-MOPGFXCFSA-N 2 2 334.504 2.399 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCCC[C@H]([NH+]3CCCC3)C1)CC2 ZINC000625367658 470128680 /nfs/dbraw/zinc/12/86/80/470128680.db2.gz SVVGEFBSWSXRBJ-IRXDYDNUSA-N 2 2 330.476 2.231 10 0 EEAELP C[C@@H]1C[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@H]1C[NH3+] ZINC000631838007 470186543 /nfs/dbraw/zinc/18/65/43/470186543.db2.gz IECHHODVRXBECK-PSASIEDQSA-N 2 2 326.322 2.181 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C[C@H]1C[NH3+] ZINC000631838007 470186544 /nfs/dbraw/zinc/18/65/44/470186544.db2.gz IECHHODVRXBECK-PSASIEDQSA-N 2 2 326.322 2.181 10 0 EEAELP CC(C)(C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000634640538 470273287 /nfs/dbraw/zinc/27/32/87/470273287.db2.gz BHXNIGJKTJPGOL-TZIWHRDSSA-N 2 2 346.515 2.325 10 0 EEAELP CC(C)(C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000634640538 470273290 /nfs/dbraw/zinc/27/32/90/470273290.db2.gz BHXNIGJKTJPGOL-TZIWHRDSSA-N 2 2 346.515 2.325 10 0 EEAELP C[C@@](O)(C[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000634644317 470274062 /nfs/dbraw/zinc/27/40/62/470274062.db2.gz SKLUWAPKYSDOLB-CRAIPNDOSA-N 2 2 333.407 2.013 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634702691 470281910 /nfs/dbraw/zinc/28/19/10/470281910.db2.gz KJIJLWWTQGWOBP-UONOGXRCSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634702691 470281912 /nfs/dbraw/zinc/28/19/12/470281912.db2.gz KJIJLWWTQGWOBP-UONOGXRCSA-N 2 2 333.259 2.417 10 0 EEAELP CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000633136042 470359966 /nfs/dbraw/zinc/35/99/66/470359966.db2.gz DBFLWCRINMWBEP-MRXNPFEDSA-N 2 2 345.491 2.176 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000648839015 470365583 /nfs/dbraw/zinc/36/55/83/470365583.db2.gz GSOZSEYIPDENHZ-GJZGRUSLSA-N 2 2 327.432 2.187 10 0 EEAELP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641867210 470504828 /nfs/dbraw/zinc/50/48/28/470504828.db2.gz OPNJEKMIELIZFP-PLNGDYQASA-N 2 2 327.432 2.206 10 0 EEAELP C[C@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103580 470527126 /nfs/dbraw/zinc/52/71/26/470527126.db2.gz JWMAGYDZFLOCLX-QGZVFWFLSA-N 2 2 349.519 2.178 10 0 EEAELP C[C@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103580 470527134 /nfs/dbraw/zinc/52/71/34/470527134.db2.gz JWMAGYDZFLOCLX-QGZVFWFLSA-N 2 2 349.519 2.178 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000649523350 470612995 /nfs/dbraw/zinc/61/29/95/470612995.db2.gz LMDGOUDUXLPMCU-LJQANCHMSA-N 2 2 346.519 2.471 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000649523350 470612999 /nfs/dbraw/zinc/61/29/99/470612999.db2.gz LMDGOUDUXLPMCU-LJQANCHMSA-N 2 2 346.519 2.471 10 0 EEAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000643375281 470679320 /nfs/dbraw/zinc/67/93/20/470679320.db2.gz ZLEFUXXTNKGPCY-YTQUADARSA-N 2 2 327.472 2.204 10 0 EEAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000643375281 470679324 /nfs/dbraw/zinc/67/93/24/470679324.db2.gz ZLEFUXXTNKGPCY-YTQUADARSA-N 2 2 327.472 2.204 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2n(n1)CCCC2 ZINC000647290088 470877329 /nfs/dbraw/zinc/87/73/29/470877329.db2.gz WBWAZODZQQVWFX-JKSUJKDBSA-N 2 2 332.492 2.371 10 0 EEAELP O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccn2cc[nH+]c2c1 ZINC000647644532 470947873 /nfs/dbraw/zinc/94/78/73/470947873.db2.gz ASEFIZPUAUCYLW-UHFFFAOYSA-N 2 2 349.438 2.091 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000644548212 470979517 /nfs/dbraw/zinc/97/95/17/470979517.db2.gz URYMPDSUZBLMHI-CQSZACIVSA-N 2 2 340.265 2.462 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000644548212 470979521 /nfs/dbraw/zinc/97/95/21/470979521.db2.gz URYMPDSUZBLMHI-CQSZACIVSA-N 2 2 340.265 2.462 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644547981 470979863 /nfs/dbraw/zinc/97/98/63/470979863.db2.gz JIZXOICPLMLADA-CQSZACIVSA-N 2 2 340.265 2.462 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644547981 470979868 /nfs/dbraw/zinc/97/98/68/470979868.db2.gz JIZXOICPLMLADA-CQSZACIVSA-N 2 2 340.265 2.462 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCc1cc(F)cc(F)c1 ZINC000647900732 471011148 /nfs/dbraw/zinc/01/11/48/471011148.db2.gz FUELTRSRIJJNPV-WMLDXEAASA-N 2 2 337.414 2.045 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCc1cc(F)cc(F)c1 ZINC000647900732 471011151 /nfs/dbraw/zinc/01/11/51/471011151.db2.gz FUELTRSRIJJNPV-WMLDXEAASA-N 2 2 337.414 2.045 10 0 EEAELP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000644693795 471014673 /nfs/dbraw/zinc/01/46/73/471014673.db2.gz CTFMMOBIXIJNKS-PKOBYXMFSA-N 2 2 347.503 2.479 10 0 EEAELP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000644693795 471014678 /nfs/dbraw/zinc/01/46/78/471014678.db2.gz CTFMMOBIXIJNKS-PKOBYXMFSA-N 2 2 347.503 2.479 10 0 EEAELP CCc1cccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000650994984 471020198 /nfs/dbraw/zinc/02/01/98/471020198.db2.gz YHMCXEFRDKVGOB-UHFFFAOYSA-N 2 2 332.492 2.074 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957015 471027154 /nfs/dbraw/zinc/02/71/54/471027154.db2.gz CDLFSHPPFZLAAL-KSSFIOAISA-N 2 2 333.501 2.097 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957015 471027155 /nfs/dbraw/zinc/02/71/55/471027155.db2.gz CDLFSHPPFZLAAL-KSSFIOAISA-N 2 2 333.501 2.097 10 0 EEAELP COc1ncncc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648031546 471058521 /nfs/dbraw/zinc/05/85/21/471058521.db2.gz VRGZKMCZDPEHCP-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP COc1ncncc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648031546 471058526 /nfs/dbraw/zinc/05/85/26/471058526.db2.gz VRGZKMCZDPEHCP-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP C[N@H+]1C[C@H]2CCN(Cc3c[nH+]c4ccc(Br)cn34)[C@H]2C1 ZINC000644840526 471062668 /nfs/dbraw/zinc/06/26/68/471062668.db2.gz LAAPVKVMAHIELU-RISCZKNCSA-N 2 2 335.249 2.233 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000645012040 471118547 /nfs/dbraw/zinc/11/85/47/471118547.db2.gz LNBAQAIZBYUOAS-SFTDATJTSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000645012040 471118552 /nfs/dbraw/zinc/11/85/52/471118552.db2.gz LNBAQAIZBYUOAS-SFTDATJTSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@@H](O)Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000645012040 471118558 /nfs/dbraw/zinc/11/85/58/471118558.db2.gz LNBAQAIZBYUOAS-SFTDATJTSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@@H](O)Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000645012040 471118560 /nfs/dbraw/zinc/11/85/60/471118560.db2.gz LNBAQAIZBYUOAS-SFTDATJTSA-N 2 2 342.483 2.015 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341885 471289914 /nfs/dbraw/zinc/28/99/14/471289914.db2.gz KHVIXTCWJORMJP-RXVVDRJESA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341885 471289917 /nfs/dbraw/zinc/28/99/17/471289917.db2.gz KHVIXTCWJORMJP-RXVVDRJESA-N 3 2 344.547 2.123 10 0 EEAELP CCOC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1 ZINC000669252197 471432236 /nfs/dbraw/zinc/43/22/36/471432236.db2.gz KJSWXVNJUGKQHF-UHFFFAOYSA-N 2 2 337.508 2.012 10 0 EEAELP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655748026 471467733 /nfs/dbraw/zinc/46/77/33/471467733.db2.gz NBUYVAOALLNKON-MOPGFXCFSA-N 2 2 332.492 2.077 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1[nH+]ccn1C ZINC000660959476 471567671 /nfs/dbraw/zinc/56/76/71/471567671.db2.gz PBGAEXGZFZDVFR-IMJJTQAJSA-N 2 2 327.432 2.226 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1[nH+]ccn1C ZINC000660959476 471567678 /nfs/dbraw/zinc/56/76/78/471567678.db2.gz PBGAEXGZFZDVFR-IMJJTQAJSA-N 2 2 327.432 2.226 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000659327327 471583082 /nfs/dbraw/zinc/58/30/82/471583082.db2.gz BIAWKJSBQVCIPL-FAJBIJEISA-N 2 2 347.503 2.249 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000659327327 471583085 /nfs/dbraw/zinc/58/30/85/471583085.db2.gz BIAWKJSBQVCIPL-FAJBIJEISA-N 2 2 347.503 2.249 10 0 EEAELP COc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)cc1C ZINC000666986180 471613843 /nfs/dbraw/zinc/61/38/43/471613843.db2.gz VWDIQERIDJQTBO-UHFFFAOYSA-N 2 2 336.480 2.317 10 0 EEAELP COc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)cc1C ZINC000666986180 471613848 /nfs/dbraw/zinc/61/38/48/471613848.db2.gz VWDIQERIDJQTBO-UHFFFAOYSA-N 2 2 336.480 2.317 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N(CCC3CC3)CC3CC3)C2)CC1 ZINC000664129896 471648371 /nfs/dbraw/zinc/64/83/71/471648371.db2.gz KLOKWZVFLOAPDO-GOSISDBHSA-N 2 2 348.535 2.377 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N(CCC3CC3)CC3CC3)C2)CC1 ZINC000664129896 471648375 /nfs/dbraw/zinc/64/83/75/471648375.db2.gz KLOKWZVFLOAPDO-GOSISDBHSA-N 2 2 348.535 2.377 10 0 EEAELP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1[nH+]ccn1C ZINC000667248341 471708149 /nfs/dbraw/zinc/70/81/49/471708149.db2.gz WPALGMBYIYNNTA-CYBMUJFWSA-N 2 2 335.477 2.316 10 0 EEAELP Cc1c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc(F)c1F ZINC000667253356 471710644 /nfs/dbraw/zinc/71/06/44/471710644.db2.gz AVXLPXYGRBGFBQ-UHFFFAOYSA-N 2 2 328.407 2.278 10 0 EEAELP Cc1c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc(F)c1F ZINC000667253356 471710651 /nfs/dbraw/zinc/71/06/51/471710651.db2.gz AVXLPXYGRBGFBQ-UHFFFAOYSA-N 2 2 328.407 2.278 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778116 471736904 /nfs/dbraw/zinc/73/69/04/471736904.db2.gz BRGPHAKWKWZEFM-SFHVURJKSA-N 2 2 344.455 2.244 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778116 471736908 /nfs/dbraw/zinc/73/69/08/471736908.db2.gz BRGPHAKWKWZEFM-SFHVURJKSA-N 2 2 344.455 2.244 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778116 471736913 /nfs/dbraw/zinc/73/69/13/471736913.db2.gz BRGPHAKWKWZEFM-SFHVURJKSA-N 2 2 344.455 2.244 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778116 471736918 /nfs/dbraw/zinc/73/69/18/471736918.db2.gz BRGPHAKWKWZEFM-SFHVURJKSA-N 2 2 344.455 2.244 10 0 EEAELP C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1[nH+]ccn1C ZINC000664627626 471815622 /nfs/dbraw/zinc/81/56/22/471815622.db2.gz WVXXTFOBEAQYBO-KKUMJFAQSA-N 2 2 333.480 2.433 10 0 EEAELP C[C@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1[nH+]ccn1C ZINC000664627626 471815629 /nfs/dbraw/zinc/81/56/29/471815629.db2.gz WVXXTFOBEAQYBO-KKUMJFAQSA-N 2 2 333.480 2.433 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788980 471841723 /nfs/dbraw/zinc/84/17/23/471841723.db2.gz LENYCHNKSKVBPL-VQIMIIECSA-N 2 2 349.434 2.018 10 0 EEAELP O=C([C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)N1CCCC1 ZINC000667630495 471850026 /nfs/dbraw/zinc/85/00/26/471850026.db2.gz FNVRNGNGRWWFAV-MRXNPFEDSA-N 2 2 339.443 2.102 10 0 EEAELP O=C([C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)N1CCCC1 ZINC000667630495 471850029 /nfs/dbraw/zinc/85/00/29/471850029.db2.gz FNVRNGNGRWWFAV-MRXNPFEDSA-N 2 2 339.443 2.102 10 0 EEAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)C2)CC1 ZINC000667668983 471861326 /nfs/dbraw/zinc/86/13/26/471861326.db2.gz DGJRDPMZCYZLRM-IAGOWNOFSA-N 2 2 344.503 2.485 10 0 EEAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000667668983 471861328 /nfs/dbraw/zinc/86/13/28/471861328.db2.gz DGJRDPMZCYZLRM-IAGOWNOFSA-N 2 2 344.503 2.485 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000667681140 471864500 /nfs/dbraw/zinc/86/45/00/471864500.db2.gz BGLASNJQNOPUNH-CYBMUJFWSA-N 2 2 348.413 2.372 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000667681140 471864506 /nfs/dbraw/zinc/86/45/06/471864506.db2.gz BGLASNJQNOPUNH-CYBMUJFWSA-N 2 2 348.413 2.372 10 0 EEAELP Cc1cccn2c(NC(=O)N3CCN(c4cc[nH+]cc4)CC3)c[nH+]c12 ZINC000667948072 471959105 /nfs/dbraw/zinc/95/91/05/471959105.db2.gz MYWZNJLUXBADIS-UHFFFAOYSA-N 2 2 336.399 2.392 10 0 EEAELP CSc1ccc(OCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662159285 472014482 /nfs/dbraw/zinc/01/44/82/472014482.db2.gz WQTWCEUAFHACCJ-INIZCTEOSA-N 2 2 336.501 2.318 10 0 EEAELP CSc1ccc(OCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662159285 472014484 /nfs/dbraw/zinc/01/44/84/472014484.db2.gz WQTWCEUAFHACCJ-INIZCTEOSA-N 2 2 336.501 2.318 10 0 EEAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320647 472070517 /nfs/dbraw/zinc/07/05/17/472070517.db2.gz VSBRAXDNNUXLSZ-TVFCKZIOSA-N 2 2 339.524 2.207 10 0 EEAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320647 472070522 /nfs/dbraw/zinc/07/05/22/472070522.db2.gz VSBRAXDNNUXLSZ-TVFCKZIOSA-N 2 2 339.524 2.207 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662536936 472144404 /nfs/dbraw/zinc/14/44/04/472144404.db2.gz UZWSDCQMPMTBLN-RHSMWYFYSA-N 2 2 343.393 2.353 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662536936 472144407 /nfs/dbraw/zinc/14/44/07/472144407.db2.gz UZWSDCQMPMTBLN-RHSMWYFYSA-N 2 2 343.393 2.353 10 0 EEAELP C[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)Cn1cc[nH+]c1 ZINC000662687928 472206664 /nfs/dbraw/zinc/20/66/64/472206664.db2.gz KUZOURGWDJKZER-PBHICJAKSA-N 2 2 326.444 2.328 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000640923947 485485021 /nfs/dbraw/zinc/48/50/21/485485021.db2.gz VZEOFWTVWXGNTC-BFYDXBDKSA-N 2 2 345.491 2.106 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@H](F)C3)CC2)c1 ZINC000679218438 485620348 /nfs/dbraw/zinc/62/03/48/485620348.db2.gz LZAKHBGWLWIHMT-PKOBYXMFSA-N 2 2 347.478 2.319 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@H](F)C3)CC2)c1 ZINC000679218438 485620354 /nfs/dbraw/zinc/62/03/54/485620354.db2.gz LZAKHBGWLWIHMT-PKOBYXMFSA-N 2 2 347.478 2.319 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc3cnccc3c2)C1=O ZINC000683774637 485635906 /nfs/dbraw/zinc/63/59/06/485635906.db2.gz DCXQRVKLZPZISR-SFHVURJKSA-N 2 2 349.438 2.249 10 0 EEAELP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598200 485739805 /nfs/dbraw/zinc/73/98/05/485739805.db2.gz XKPNLNGGPRKREL-IONDEXAJSA-N 2 2 345.487 2.192 10 0 EEAELP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598200 485739810 /nfs/dbraw/zinc/73/98/10/485739810.db2.gz XKPNLNGGPRKREL-IONDEXAJSA-N 2 2 345.487 2.192 10 0 EEAELP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598201 485739866 /nfs/dbraw/zinc/73/98/66/485739866.db2.gz XKPNLNGGPRKREL-ITKAJJHTSA-N 2 2 345.487 2.192 10 0 EEAELP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598201 485739870 /nfs/dbraw/zinc/73/98/70/485739870.db2.gz XKPNLNGGPRKREL-ITKAJJHTSA-N 2 2 345.487 2.192 10 0 EEAELP Cc1oc(C2CC2)nc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671720448 485985599 /nfs/dbraw/zinc/98/55/99/485985599.db2.gz BMTSBJAQOFZROP-INIZCTEOSA-N 2 2 346.475 2.101 10 0 EEAELP Cc1oc(C2CC2)nc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671720448 485985604 /nfs/dbraw/zinc/98/56/04/485985604.db2.gz BMTSBJAQOFZROP-INIZCTEOSA-N 2 2 346.475 2.101 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000675782629 486068082 /nfs/dbraw/zinc/06/80/82/486068082.db2.gz WDKRGWROTXUBSC-NSHDSACASA-N 2 2 330.259 2.418 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000681972538 486398076 /nfs/dbraw/zinc/39/80/76/486398076.db2.gz GSWDVAZSWHYVIG-PCKAHOCUSA-N 2 2 341.455 2.278 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000681972538 486398080 /nfs/dbraw/zinc/39/80/80/486398080.db2.gz GSWDVAZSWHYVIG-PCKAHOCUSA-N 2 2 341.455 2.278 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)cn1 ZINC000677897586 486517800 /nfs/dbraw/zinc/51/78/00/486517800.db2.gz UHAULFPRPKNFFO-SFHVURJKSA-N 2 2 329.444 2.015 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)cn1 ZINC000677897586 486517806 /nfs/dbraw/zinc/51/78/06/486517806.db2.gz UHAULFPRPKNFFO-SFHVURJKSA-N 2 2 329.444 2.015 10 0 EEAELP COc1ccc(C[NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)cn1 ZINC000677897586 486517811 /nfs/dbraw/zinc/51/78/11/486517811.db2.gz UHAULFPRPKNFFO-SFHVURJKSA-N 2 2 329.444 2.015 10 0 EEAELP COc1ccc(C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000677897586 486517815 /nfs/dbraw/zinc/51/78/15/486517815.db2.gz UHAULFPRPKNFFO-SFHVURJKSA-N 2 2 329.444 2.015 10 0 EEAELP CC[C@@H](C)n1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682900516 486580466 /nfs/dbraw/zinc/58/04/66/486580466.db2.gz VAQMELFMKMPATB-ZBFHGGJFSA-N 2 2 347.507 2.061 10 0 EEAELP CC[C@@H](C)n1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682900516 486580469 /nfs/dbraw/zinc/58/04/69/486580469.db2.gz VAQMELFMKMPATB-ZBFHGGJFSA-N 2 2 347.507 2.061 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@@H](C)C1 ZINC000411429297 527819205 /nfs/dbraw/zinc/81/92/05/527819205.db2.gz WVAKWGVAFOCEJF-BBRMVZONSA-N 2 2 346.475 2.134 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@@H](C)C1 ZINC000411429297 527819210 /nfs/dbraw/zinc/81/92/10/527819210.db2.gz WVAKWGVAFOCEJF-BBRMVZONSA-N 2 2 346.475 2.134 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000459663487 534936402 /nfs/dbraw/zinc/93/64/02/534936402.db2.gz OVLAQDRRTXPBPD-UHFFFAOYSA-N 3 2 341.503 2.284 10 0 EEAELP CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422812521 535475384 /nfs/dbraw/zinc/47/53/84/535475384.db2.gz QOHUIKYKDASSAC-RTBURBONSA-N 2 2 345.487 2.025 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000110954137 535995677 /nfs/dbraw/zinc/99/56/77/535995677.db2.gz INJLMGFCAFDNJK-LJQANCHMSA-N 2 2 345.487 2.075 10 0 EEAELP C[NH+]1CCC(CNC(=O)NC[C@@H]2C[C@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000455563724 536339179 /nfs/dbraw/zinc/33/91/79/536339179.db2.gz JJNYYVRDYIZFPU-ROUUACIJSA-N 2 2 348.535 2.282 10 0 EEAELP COc1ccccc1C1(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000423035442 537012791 /nfs/dbraw/zinc/01/27/91/537012791.db2.gz JLTNPBMHBGGBKG-OALUTQOASA-N 2 2 330.472 2.474 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)c3cc(F)ccc3F)CC2)c1 ZINC000264189646 537117484 /nfs/dbraw/zinc/11/74/84/537117484.db2.gz MFKZTRKSAPBHPK-QGZVFWFLSA-N 2 2 349.381 2.224 10 0 EEAELP Cn1ccc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000775322946 577434816 /nfs/dbraw/zinc/43/48/16/577434816.db2.gz CDLIGBHTBMMHAQ-UHFFFAOYSA-N 2 2 327.432 2.453 10 0 EEAELP COc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000765261343 577498032 /nfs/dbraw/zinc/49/80/32/577498032.db2.gz KLZIRLGAPQWYAH-LJQANCHMSA-N 2 2 341.455 2.378 10 0 EEAELP C[S@@](=O)CC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000771144915 577610546 /nfs/dbraw/zinc/61/05/46/577610546.db2.gz JUIYCIDYCGYAPD-JOCHJYFZSA-N 2 2 337.876 2.389 10 0 EEAELP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(OC)n1 ZINC000924900273 681336922 /nfs/dbraw/zinc/33/69/22/681336922.db2.gz BTCKQYMGHGPGOJ-RDJZCZTQSA-N 2 2 348.491 2.074 10 0 EEAELP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(OC)n1 ZINC000924900273 681336925 /nfs/dbraw/zinc/33/69/25/681336925.db2.gz BTCKQYMGHGPGOJ-RDJZCZTQSA-N 2 2 348.491 2.074 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc3onc(C)c3c2)CC1 ZINC000894634399 683006353 /nfs/dbraw/zinc/00/63/53/683006353.db2.gz GZIBQPNUNQEVBB-UHFFFAOYSA-N 2 2 339.399 2.257 10 0 EEAELP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000897729497 691772405 /nfs/dbraw/zinc/77/24/05/691772405.db2.gz BOZSRLDXSLCBMZ-YJBOKZPZSA-N 2 2 342.443 2.062 10 0 EEAELP Cc1conc1C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485586399 1191850537 /nfs/dbraw/zinc/85/05/37/1191850537.db2.gz PZTWWAXITASVRA-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485586399 1191850538 /nfs/dbraw/zinc/85/05/38/1191850538.db2.gz PZTWWAXITASVRA-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485646887 1191878472 /nfs/dbraw/zinc/87/84/72/1191878472.db2.gz MIFDPXNYHPAUEA-WBVHZDCISA-N 2 2 346.475 2.048 10 0 EEAELP CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001485672286 1191890648 /nfs/dbraw/zinc/89/06/48/1191890648.db2.gz FNJRTZKUHMZBSM-IRXDYDNUSA-N 2 2 348.491 2.232 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccc2ncccc2c1 ZINC001480876213 1176625495 /nfs/dbraw/zinc/62/54/95/1176625495.db2.gz QQSFAIPAMJIKCB-IAGOWNOFSA-N 2 2 349.438 2.310 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccc2ncccc2c1 ZINC001480876213 1176625502 /nfs/dbraw/zinc/62/55/02/1176625502.db2.gz QQSFAIPAMJIKCB-IAGOWNOFSA-N 2 2 349.438 2.310 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001480879318 1176675053 /nfs/dbraw/zinc/67/50/53/1176675053.db2.gz JJNRUAGVAXLNOS-SFHVURJKSA-N 2 2 339.439 2.368 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001480879318 1176675060 /nfs/dbraw/zinc/67/50/60/1176675060.db2.gz JJNRUAGVAXLNOS-SFHVURJKSA-N 2 2 339.439 2.368 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC001691369843 1177975428 /nfs/dbraw/zinc/97/54/28/1177975428.db2.gz WALPMENTDMIASG-INIZCTEOSA-N 2 2 344.434 2.141 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC001267176347 1178419730 /nfs/dbraw/zinc/41/97/30/1178419730.db2.gz DWYSTGHWCSLVDC-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC001267176347 1178419732 /nfs/dbraw/zinc/41/97/32/1178419732.db2.gz DWYSTGHWCSLVDC-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)Cc1ccc2cc[nH]c2c1 ZINC001267199933 1178482778 /nfs/dbraw/zinc/48/27/78/1178482778.db2.gz ZBDJIAKRJZUIJZ-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)Cc1ccc2cc[nH]c2c1 ZINC001267199933 1178482781 /nfs/dbraw/zinc/48/27/81/1178482781.db2.gz ZBDJIAKRJZUIJZ-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)Cc1ccc2cc[nH]c2c1 ZINC001267199933 1178482785 /nfs/dbraw/zinc/48/27/85/1178482785.db2.gz ZBDJIAKRJZUIJZ-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)Cc1ccc2cc[nH]c2c1 ZINC001267199933 1178482789 /nfs/dbraw/zinc/48/27/89/1178482789.db2.gz ZBDJIAKRJZUIJZ-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1nc2ccccc2o1 ZINC001267257235 1178626629 /nfs/dbraw/zinc/62/66/29/1178626629.db2.gz SLLBEEVHIZUPQA-AWEZNQCLSA-N 2 2 341.415 2.224 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1nc2ccccc2o1 ZINC001267257235 1178626631 /nfs/dbraw/zinc/62/66/31/1178626631.db2.gz SLLBEEVHIZUPQA-AWEZNQCLSA-N 2 2 341.415 2.224 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1nocc1C ZINC001481012450 1179492604 /nfs/dbraw/zinc/49/26/04/1179492604.db2.gz ZDYVRGPWEJILFG-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1nocc1C ZINC001481012450 1179492609 /nfs/dbraw/zinc/49/26/09/1179492609.db2.gz ZDYVRGPWEJILFG-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CC(C)=CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481038428 1179587579 /nfs/dbraw/zinc/58/75/79/1179587579.db2.gz FGVZAKICVURZST-KRWDZBQOSA-N 2 2 330.476 2.309 10 0 EEAELP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481038428 1179587584 /nfs/dbraw/zinc/58/75/84/1179587584.db2.gz FGVZAKICVURZST-KRWDZBQOSA-N 2 2 330.476 2.309 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001268154318 1181848956 /nfs/dbraw/zinc/84/89/56/1181848956.db2.gz LQAUQEKTROLPQE-ZWKOTPCHSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001268154318 1181848959 /nfs/dbraw/zinc/84/89/59/1181848959.db2.gz LQAUQEKTROLPQE-ZWKOTPCHSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001268156590 1181857385 /nfs/dbraw/zinc/85/73/85/1181857385.db2.gz KPKLETBKXAQWFI-GOSISDBHSA-N 2 2 341.459 2.229 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C\CNC(=O)c2sccc2C[NH+](C)C)o1 ZINC001268544907 1183221506 /nfs/dbraw/zinc/22/15/06/1183221506.db2.gz IVDNUSKYEMBYAI-PLNGDYQASA-N 2 2 348.472 2.182 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001268549568 1183232213 /nfs/dbraw/zinc/23/22/13/1183232213.db2.gz YXKBPMSHDQWHOG-ARJAWSKDSA-N 2 2 326.444 2.421 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001268549568 1183232215 /nfs/dbraw/zinc/23/22/15/1183232215.db2.gz YXKBPMSHDQWHOG-ARJAWSKDSA-N 2 2 326.444 2.421 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001268573776 1183314902 /nfs/dbraw/zinc/31/49/02/1183314902.db2.gz FHHREYXDDPPKLY-ARJAWSKDSA-N 2 2 332.473 2.414 10 0 EEAELP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001268589499 1183391201 /nfs/dbraw/zinc/39/12/01/1183391201.db2.gz WNNUOELZEDKQFO-GEXIGZQTSA-N 2 2 344.912 2.145 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC=C(Cl)Cl ZINC001482141482 1183457719 /nfs/dbraw/zinc/45/77/19/1183457719.db2.gz DLPULWVMKTWVGZ-QJPTWQEYSA-N 2 2 345.274 2.185 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268686956 1183611439 /nfs/dbraw/zinc/61/14/39/1183611439.db2.gz TYKPKBBMCQUISZ-YOEHRIQHSA-N 2 2 335.496 2.321 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268686956 1183611442 /nfs/dbraw/zinc/61/14/42/1183611442.db2.gz TYKPKBBMCQUISZ-YOEHRIQHSA-N 2 2 335.496 2.321 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269252299 1184104104 /nfs/dbraw/zinc/10/41/04/1184104104.db2.gz XIZJTUHKLGNUGP-IAGOWNOFSA-N 2 2 336.480 2.040 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269252299 1184104111 /nfs/dbraw/zinc/10/41/11/1184104111.db2.gz XIZJTUHKLGNUGP-IAGOWNOFSA-N 2 2 336.480 2.040 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001482291579 1185121444 /nfs/dbraw/zinc/12/14/44/1185121444.db2.gz HKDQOPZMRXVQCO-AWEZNQCLSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001482291579 1185121447 /nfs/dbraw/zinc/12/14/47/1185121447.db2.gz HKDQOPZMRXVQCO-AWEZNQCLSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482301527 1185213357 /nfs/dbraw/zinc/21/33/57/1185213357.db2.gz NWWFMWYSCIXGCE-GDBMZVCRSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@H](O)CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001270771789 1185380059 /nfs/dbraw/zinc/38/00/59/1185380059.db2.gz NWGOAXOAPMYRGS-HNNXBMFYSA-N 2 2 344.459 2.128 10 0 EEAELP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001482354029 1185492303 /nfs/dbraw/zinc/49/23/03/1185492303.db2.gz NGXNSWUYLJIOQY-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC001482462657 1185932514 /nfs/dbraw/zinc/93/25/14/1185932514.db2.gz NNIWQOOHFAFGIW-SJORKVTESA-N 2 2 348.491 2.191 10 0 EEAELP CC(C)C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001271278484 1186118271 /nfs/dbraw/zinc/11/82/71/1186118271.db2.gz NJHMFBUFEGMHNF-DLBZAZTESA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001271647623 1186353630 /nfs/dbraw/zinc/35/36/30/1186353630.db2.gz FXAFYKTZSPDZLR-DLBZAZTESA-N 2 2 334.508 2.473 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001271741190 1186453051 /nfs/dbraw/zinc/45/30/51/1186453051.db2.gz WGQPFWUJFKEILS-WCQYABFASA-N 2 2 345.274 2.488 10 0 EEAELP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001271859819 1186558739 /nfs/dbraw/zinc/55/87/39/1186558739.db2.gz DDYIVSQIDACEMX-YESZJQIVSA-N 2 2 330.476 2.026 10 0 EEAELP CCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001271859819 1186558753 /nfs/dbraw/zinc/55/87/53/1186558753.db2.gz DDYIVSQIDACEMX-YESZJQIVSA-N 2 2 330.476 2.026 10 0 EEAELP Cc1nc(C[NH2+][C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)C)co1 ZINC001482556190 1186728355 /nfs/dbraw/zinc/72/83/55/1186728355.db2.gz GDHDOHMXUVJAIE-CZUORRHYSA-N 2 2 333.436 2.061 10 0 EEAELP Cc1csc(C[N@@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)n1 ZINC001482603846 1187350610 /nfs/dbraw/zinc/35/06/10/1187350610.db2.gz VCXUFBGURYOPPM-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1csc(C[N@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)n1 ZINC001482603846 1187350614 /nfs/dbraw/zinc/35/06/14/1187350614.db2.gz VCXUFBGURYOPPM-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1csc(C[NH+](C)CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001482603846 1187350617 /nfs/dbraw/zinc/35/06/17/1187350617.db2.gz VCXUFBGURYOPPM-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1csc(C[NH+](C)CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001482603846 1187350621 /nfs/dbraw/zinc/35/06/21/1187350621.db2.gz VCXUFBGURYOPPM-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP CN(CC[N@H+](C)Cc1cnc(Cl)s1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001482642568 1187472834 /nfs/dbraw/zinc/47/28/34/1187472834.db2.gz MEXHFUHSFFZBNM-GFCCVEGCSA-N 2 2 344.912 2.029 10 0 EEAELP CN(CC[N@@H+](C)Cc1cnc(Cl)s1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001482642568 1187472837 /nfs/dbraw/zinc/47/28/37/1187472837.db2.gz MEXHFUHSFFZBNM-GFCCVEGCSA-N 2 2 344.912 2.029 10 0 EEAELP CN(CC[NH+](C)Cc1cnc(Cl)s1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482642568 1187472840 /nfs/dbraw/zinc/47/28/40/1187472840.db2.gz MEXHFUHSFFZBNM-GFCCVEGCSA-N 2 2 344.912 2.029 10 0 EEAELP CN(CC[NH+](C)Cc1cnc(Cl)s1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482642568 1187472842 /nfs/dbraw/zinc/47/28/42/1187472842.db2.gz MEXHFUHSFFZBNM-GFCCVEGCSA-N 2 2 344.912 2.029 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]Cc3conc3C)ccn12 ZINC001272780558 1193495271 /nfs/dbraw/zinc/49/52/71/1193495271.db2.gz AFHYUOWCJQHENT-GFCCVEGCSA-N 2 2 341.415 2.237 10 0 EEAELP C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001482847554 1187765681 /nfs/dbraw/zinc/76/56/81/1187765681.db2.gz FVDHQCIATGYMLZ-JTQLQIEISA-N 2 2 349.262 2.153 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001482929853 1187851317 /nfs/dbraw/zinc/85/13/17/1187851317.db2.gz ALMZXDRTSHTJMA-UHFFFAOYSA-N 2 2 348.491 2.106 10 0 EEAELP CCN(CC[NH2+]C[C@H]1C[C@]12CCOC2)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001482939713 1187863093 /nfs/dbraw/zinc/86/30/93/1187863093.db2.gz UFNIBEULTHGEEP-XLIONFOSSA-N 2 2 345.487 2.485 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC001483130488 1188621821 /nfs/dbraw/zinc/62/18/21/1188621821.db2.gz WKLGCTGPSZJOLQ-MRXNPFEDSA-N 2 2 340.471 2.365 10 0 EEAELP C[C@@H]([NH2+]Cc1cccc(Cl)c1F)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409355437 1189565619 /nfs/dbraw/zinc/56/56/19/1189565619.db2.gz FQVSHMJSIAGEEM-MNOVXSKESA-N 2 2 338.814 2.428 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2[nH+]ccn2C)c1 ZINC001409390848 1189617489 /nfs/dbraw/zinc/61/74/89/1189617489.db2.gz UULLHXCXGWHGDN-HZPDHXFCSA-N 2 2 328.460 2.344 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC001409418376 1189650374 /nfs/dbraw/zinc/65/03/74/1189650374.db2.gz INBDJVQHXCSJPF-HZPDHXFCSA-N 2 2 328.460 2.262 10 0 EEAELP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001409473366 1189780420 /nfs/dbraw/zinc/78/04/20/1189780420.db2.gz PZTDAQQKAKRLQJ-KBPBESRZSA-N 2 2 349.866 2.395 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001409599593 1190088962 /nfs/dbraw/zinc/08/89/62/1190088962.db2.gz YKUKNPJIVRVKBA-KDOFPFPSSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001409599593 1190088964 /nfs/dbraw/zinc/08/89/64/1190088964.db2.gz YKUKNPJIVRVKBA-KDOFPFPSSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001409599593 1190088967 /nfs/dbraw/zinc/08/89/67/1190088967.db2.gz YKUKNPJIVRVKBA-KDOFPFPSSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001409599593 1190088969 /nfs/dbraw/zinc/08/89/69/1190088969.db2.gz YKUKNPJIVRVKBA-KDOFPFPSSA-N 2 2 326.444 2.466 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)ccc1F ZINC001483364591 1190405006 /nfs/dbraw/zinc/40/50/06/1190405006.db2.gz XZBFBINUSGEGEA-GFCCVEGCSA-N 2 2 336.386 2.106 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1F ZINC001483364591 1190405007 /nfs/dbraw/zinc/40/50/07/1190405007.db2.gz XZBFBINUSGEGEA-GFCCVEGCSA-N 2 2 336.386 2.106 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001483608757 1190587853 /nfs/dbraw/zinc/58/78/53/1190587853.db2.gz HBFAAJBFWWXHSA-MRXNPFEDSA-N 2 2 332.835 2.221 10 0 EEAELP Cc1conc1C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001409825044 1190656691 /nfs/dbraw/zinc/65/66/91/1190656691.db2.gz IYWMAXZKQWTJLJ-DOTOQJQBSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001409825044 1190656692 /nfs/dbraw/zinc/65/66/92/1190656692.db2.gz IYWMAXZKQWTJLJ-DOTOQJQBSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001409825044 1190656693 /nfs/dbraw/zinc/65/66/93/1190656693.db2.gz IYWMAXZKQWTJLJ-DOTOQJQBSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001409825044 1190656695 /nfs/dbraw/zinc/65/66/95/1190656695.db2.gz IYWMAXZKQWTJLJ-DOTOQJQBSA-N 2 2 348.491 2.186 10 0 EEAELP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001483625373 1190688454 /nfs/dbraw/zinc/68/84/54/1190688454.db2.gz YWKVOLJBZQASDK-QWHCGFSZSA-N 2 2 345.274 2.419 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001483664355 1190724632 /nfs/dbraw/zinc/72/46/32/1190724632.db2.gz PTORHEIAGBZTBE-LJQANCHMSA-N 2 2 338.455 2.071 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001483664355 1190724633 /nfs/dbraw/zinc/72/46/33/1190724633.db2.gz PTORHEIAGBZTBE-LJQANCHMSA-N 2 2 338.455 2.071 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnc(C)s1)[NH+](CC)CC ZINC001483679939 1190740199 /nfs/dbraw/zinc/74/01/99/1190740199.db2.gz RUWIAIRLXIYKCX-GOEBONIOSA-N 2 2 338.521 2.262 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1cnc(C)s1)[NH+](CC)CC ZINC001483679939 1190740201 /nfs/dbraw/zinc/74/02/01/1190740201.db2.gz RUWIAIRLXIYKCX-GOEBONIOSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cc(C[NH+]2CC[C@H]2CNC(=O)C[N@@H+](C)CC(C)(C)C)sn1 ZINC001483680999 1190742015 /nfs/dbraw/zinc/74/20/15/1190742015.db2.gz JTSGLROGXSXTRQ-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1cc(C[NH+]2CC[C@H]2CNC(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001483680999 1190742016 /nfs/dbraw/zinc/74/20/16/1190742016.db2.gz JTSGLROGXSXTRQ-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H]2CNC(=O)C[NH+](C)CC(C)(C)C)sn1 ZINC001483680999 1190742017 /nfs/dbraw/zinc/74/20/17/1190742017.db2.gz JTSGLROGXSXTRQ-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+](C)CC(C)(C)C)sn1 ZINC001483680999 1190742018 /nfs/dbraw/zinc/74/20/18/1190742018.db2.gz JTSGLROGXSXTRQ-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cccc2[nH+]ccn21 ZINC001483804376 1191050936 /nfs/dbraw/zinc/05/09/36/1191050936.db2.gz LDYSKGMJPMYMIW-MQVJKMGUSA-N 2 2 342.443 2.096 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)N(C)C1C[NH+](CC2CC(F)(F)C2)C1 ZINC001483883693 1191100164 /nfs/dbraw/zinc/10/01/64/1191100164.db2.gz OIQMXNQERXVJIK-UHFFFAOYSA-N 2 2 340.418 2.160 10 0 EEAELP C[NH+](C)CCCCC(=O)N1CCOC2(C[NH+](CC3=CCCCC3)C2)C1 ZINC001484778900 1191517221 /nfs/dbraw/zinc/51/72/21/1191517221.db2.gz WPWRYDKZAQGMKV-UHFFFAOYSA-N 2 2 349.519 2.132 10 0 EEAELP O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)c1cccc2[nH+]ccn21 ZINC001484867271 1191560700 /nfs/dbraw/zinc/56/07/00/1191560700.db2.gz YWNCDXVZVCPEHE-UHFFFAOYSA-N 2 2 342.443 2.003 10 0 EEAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001485162892 1191675081 /nfs/dbraw/zinc/67/50/81/1191675081.db2.gz MQXZCAKWOUJJTA-QWHCGFSZSA-N 2 2 330.432 2.086 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001485219368 1191690284 /nfs/dbraw/zinc/69/02/84/1191690284.db2.gz XSXKAJYDIQLDNJ-OLZOCXBDSA-N 2 2 332.423 2.413 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC001485235299 1191701168 /nfs/dbraw/zinc/70/11/68/1191701168.db2.gz UZRVDTCYZWJSEK-QWHCGFSZSA-N 2 2 349.504 2.320 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cc(F)ccc1F ZINC001485388148 1191775091 /nfs/dbraw/zinc/77/50/91/1191775091.db2.gz LAMWEZDNHPBLMH-ZDUSSCGKSA-N 2 2 327.419 2.242 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cc(F)ccc1F ZINC001485388148 1191775093 /nfs/dbraw/zinc/77/50/93/1191775093.db2.gz LAMWEZDNHPBLMH-ZDUSSCGKSA-N 2 2 327.419 2.242 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1cc(F)ccc1F ZINC001485388148 1191775095 /nfs/dbraw/zinc/77/50/95/1191775095.db2.gz LAMWEZDNHPBLMH-ZDUSSCGKSA-N 2 2 327.419 2.242 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1F ZINC001485388148 1191775097 /nfs/dbraw/zinc/77/50/97/1191775097.db2.gz LAMWEZDNHPBLMH-ZDUSSCGKSA-N 2 2 327.419 2.242 10 0 EEAELP Cc1cc(C[NH+]2CC([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)c(C)s1 ZINC001409967996 1194974143 /nfs/dbraw/zinc/97/41/43/1194974143.db2.gz JCZWLQANLYPBMH-CYBMUJFWSA-N 2 2 332.473 2.198 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2C1 ZINC001410189093 1197592913 /nfs/dbraw/zinc/59/29/13/1197592913.db2.gz JXHFISGAUPVMTJ-RCCFBDPRSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2C1 ZINC001410189093 1197592914 /nfs/dbraw/zinc/59/29/14/1197592914.db2.gz JXHFISGAUPVMTJ-RCCFBDPRSA-N 2 2 344.503 2.370 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H](C[NH2+]Cc1cncs1)C1CC1)n1cc[nH+]c1 ZINC001410308402 1197670835 /nfs/dbraw/zinc/67/08/35/1197670835.db2.gz JAOSEIGPKWUOAY-CJNGLKHVSA-N 2 2 347.488 2.318 10 0 EEAELP C[C@H]1C[NH+](Cc2ccccc2NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H](C)O1 ZINC000872278139 1198125837 /nfs/dbraw/zinc/12/58/37/1198125837.db2.gz HNOXMMIEFLZULB-VKCURLPPSA-N 2 2 343.471 2.362 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC001410893335 1198547994 /nfs/dbraw/zinc/54/79/94/1198547994.db2.gz GWHMHZRVIJWLFX-DOTOQJQBSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC001410893335 1198547997 /nfs/dbraw/zinc/54/79/97/1198547997.db2.gz GWHMHZRVIJWLFX-DOTOQJQBSA-N 2 2 336.505 2.098 10 0 EEAELP Cc1ncsc1CC[N@@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001411195381 1198891711 /nfs/dbraw/zinc/89/17/11/1198891711.db2.gz LXDIHCXERWOYBD-UHFFFAOYSA-N 2 2 349.504 2.129 10 0 EEAELP Cc1ncsc1CC[N@H+](C)CCN(C(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001411195381 1198891713 /nfs/dbraw/zinc/89/17/13/1198891713.db2.gz LXDIHCXERWOYBD-UHFFFAOYSA-N 2 2 349.504 2.129 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001274261053 1204978196 /nfs/dbraw/zinc/97/81/96/1204978196.db2.gz ORLXRJNCSCOXAT-WCQYABFASA-N 2 2 332.370 2.121 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001274534365 1205070251 /nfs/dbraw/zinc/07/02/51/1205070251.db2.gz LNUAIFJZLHOITP-HSWBROFVSA-N 2 2 340.418 2.348 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)oc1C ZINC001274611652 1205097702 /nfs/dbraw/zinc/09/77/02/1205097702.db2.gz VPRJNHMQWZUHCA-QWNKOJSDSA-N 2 2 348.491 2.174 10 0 EEAELP Cc1cccc(CCC[NH2+]CC2CC(NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001275331887 1205311161 /nfs/dbraw/zinc/31/11/61/1205311161.db2.gz POMFBZRCBLKILL-UHFFFAOYSA-N 2 2 340.471 2.309 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001275360998 1205320467 /nfs/dbraw/zinc/32/04/67/1205320467.db2.gz RKTAGYKIHFLTRF-KBPBESRZSA-N 2 2 332.423 2.064 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001275360998 1205320469 /nfs/dbraw/zinc/32/04/69/1205320469.db2.gz RKTAGYKIHFLTRF-KBPBESRZSA-N 2 2 332.423 2.064 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001275421620 1205352190 /nfs/dbraw/zinc/35/21/90/1205352190.db2.gz LENNDWRIKWHEFU-YOEHRIQHSA-N 2 2 340.471 2.475 10 0 EEAELP c1cn(Cc2ccccc2C[NH2+][C@H]2CCOC23CCOCC3)c[nH+]1 ZINC000924626778 1206006608 /nfs/dbraw/zinc/00/66/08/1206006608.db2.gz XPXBSSUGZPLHFE-SFHVURJKSA-N 2 2 327.428 2.359 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)COc1ccc(F)c(F)c1 ZINC000924969337 1206056441 /nfs/dbraw/zinc/05/64/41/1206056441.db2.gz IPWWOTWUNIFJJH-JEBQAFNWSA-N 2 2 340.414 2.311 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)COc1ccc(F)c(F)c1 ZINC000924969337 1206056442 /nfs/dbraw/zinc/05/64/42/1206056442.db2.gz IPWWOTWUNIFJJH-JEBQAFNWSA-N 2 2 340.414 2.311 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)c1ccccc1 ZINC000928101112 1206343551 /nfs/dbraw/zinc/34/35/51/1206343551.db2.gz WVDFPKLKPLWOCK-KSZLIROESA-N 2 2 347.528 2.375 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)c1ccccc1 ZINC000928101112 1206343553 /nfs/dbraw/zinc/34/35/53/1206343553.db2.gz WVDFPKLKPLWOCK-KSZLIROESA-N 2 2 347.528 2.375 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1 ZINC000928101112 1206343556 /nfs/dbraw/zinc/34/35/56/1206343556.db2.gz WVDFPKLKPLWOCK-KSZLIROESA-N 2 2 347.528 2.375 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)c1ccccc1 ZINC000928101112 1206343558 /nfs/dbraw/zinc/34/35/58/1206343558.db2.gz WVDFPKLKPLWOCK-KSZLIROESA-N 2 2 347.528 2.375 10 0 EEAELP C[N@H+](Cc1cnn(CCF)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794257 1206502689 /nfs/dbraw/zinc/50/26/89/1206502689.db2.gz BZWGOXUQRLRRSR-UHFFFAOYSA-N 2 2 345.466 2.387 10 0 EEAELP C[N@@H+](Cc1cnn(CCF)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929794257 1206502691 /nfs/dbraw/zinc/50/26/91/1206502691.db2.gz BZWGOXUQRLRRSR-UHFFFAOYSA-N 2 2 345.466 2.387 10 0 EEAELP C[C@@](O)(C[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)(F)C(F)(F)F ZINC000929836845 1206507100 /nfs/dbraw/zinc/50/71/00/1206507100.db2.gz SMGSZDDTHZPZGI-GFCCVEGCSA-N 2 2 339.308 2.152 10 0 EEAELP CN(CCC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc[nH+]cc1 ZINC000779500218 1210396302 /nfs/dbraw/zinc/39/63/02/1210396302.db2.gz RCBDGYONTAFDSZ-MRXNPFEDSA-N 2 2 329.448 2.336 10 0 EEAELP CC(C)[NH2+]C1(CO)CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001412992232 1216408185 /nfs/dbraw/zinc/40/81/85/1216408185.db2.gz MQFKGFNOKFONRY-UHFFFAOYSA-N 2 2 329.444 2.265 10 0 EEAELP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973874 1242810139 /nfs/dbraw/zinc/81/01/39/1242810139.db2.gz KAKYQVJJGRCNHZ-KRWDZBQOSA-N 2 2 344.434 2.464 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nocc2C)C1 ZINC001490892326 1253646302 /nfs/dbraw/zinc/64/63/02/1253646302.db2.gz ASBLLMXGFRIYKY-KKUMJFAQSA-N 2 2 345.447 2.130 10 0 EEAELP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](c3ccccc3)[NH+](C)C)C2)co1 ZINC001491082373 1258659136 /nfs/dbraw/zinc/65/91/36/1258659136.db2.gz GEQOFXKSFORJKP-JZXOWHBKSA-N 2 2 342.443 2.023 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001491507050 1259157603 /nfs/dbraw/zinc/15/76/03/1259157603.db2.gz GWTYGAUGFQWKMJ-GDBMZVCRSA-N 2 2 330.476 2.120 10 0 EEAELP CO[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@@H]1CCOC1 ZINC000850342530 1277188679 /nfs/dbraw/zinc/18/86/79/1277188679.db2.gz MKZSMGQSVVBNGS-UZLBHIALSA-N 2 2 347.503 2.363 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)CCn1cc[nH+]c1 ZINC001273533627 1279369192 /nfs/dbraw/zinc/36/91/92/1279369192.db2.gz BLSNLACEZXTGHP-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)s1 ZINC001488953727 1290292751 /nfs/dbraw/zinc/29/27/51/1290292751.db2.gz NBQWFXXRSCFPKL-UONOGXRCSA-N 2 2 347.488 2.100 10 0 EEAELP COc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1Cn1cccn1 ZINC000854227454 1292677496 /nfs/dbraw/zinc/67/74/96/1292677496.db2.gz OUEPNXUFAZZAAD-XVTSOASTSA-N 2 2 326.444 2.343 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2sccc2c(O)c1 ZINC000855415137 1293209616 /nfs/dbraw/zinc/20/96/16/1293209616.db2.gz QXWJHNHPZWJBSG-UHFFFAOYSA-N 2 2 335.473 2.220 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2sccc2c(O)c1 ZINC000855415137 1293209620 /nfs/dbraw/zinc/20/96/20/1293209620.db2.gz QXWJHNHPZWJBSG-UHFFFAOYSA-N 2 2 335.473 2.220 10 0 EEAELP CCO[C@H](C[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21)C[NH+](C)C ZINC000926960632 1296971288 /nfs/dbraw/zinc/97/12/88/1296971288.db2.gz MYFZRDXIDSZOEA-AEFFLSMTSA-N 2 2 334.460 2.407 10 0 EEAELP CCO[C@@H](C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1)C[NH+](C)C ZINC000926966427 1296972481 /nfs/dbraw/zinc/97/24/81/1296972481.db2.gz WPFYHKZIYIMFDV-APWZRJJASA-N 2 2 335.492 2.141 10 0 EEAELP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000927105944 1297017000 /nfs/dbraw/zinc/01/70/00/1297017000.db2.gz MPQRWELZMROOJQ-GDBMZVCRSA-N 2 2 325.456 2.478 10 0 EEAELP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000927105944 1297017016 /nfs/dbraw/zinc/01/70/16/1297017016.db2.gz MPQRWELZMROOJQ-GDBMZVCRSA-N 2 2 325.456 2.478 10 0 EEAELP CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277345570 1302550910 /nfs/dbraw/zinc/55/09/10/1302550910.db2.gz LVEJXQYJXZGKML-CVEARBPZSA-N 2 2 342.443 2.278 10 0 EEAELP CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277345570 1302550914 /nfs/dbraw/zinc/55/09/14/1302550914.db2.gz LVEJXQYJXZGKML-CVEARBPZSA-N 2 2 342.443 2.278 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001277957908 1305306119 /nfs/dbraw/zinc/30/61/19/1305306119.db2.gz XMGQEIQIFITNBI-ZBFHGGJFSA-N 2 2 346.500 2.473 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001277957908 1305306125 /nfs/dbraw/zinc/30/61/25/1305306125.db2.gz XMGQEIQIFITNBI-ZBFHGGJFSA-N 2 2 346.500 2.473 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001278286321 1308982760 /nfs/dbraw/zinc/98/27/60/1308982760.db2.gz UNIBEQWVHBJYHE-CVEARBPZSA-N 2 2 344.459 2.342 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCc2ccsc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001278316576 1309365209 /nfs/dbraw/zinc/36/52/09/1309365209.db2.gz SZLNHNHFIBUYNF-WMLDXEAASA-N 2 2 346.500 2.236 10 0 EEAELP [NH3+]CCc1ccc(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000841927559 1315638862 /nfs/dbraw/zinc/63/88/62/1315638862.db2.gz HNILIQWIISJFFS-UHFFFAOYSA-N 2 2 327.432 2.000 10 0 EEAELP [NH3+]CCc1ccc(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000841927559 1315638867 /nfs/dbraw/zinc/63/88/67/1315638867.db2.gz HNILIQWIISJFFS-UHFFFAOYSA-N 2 2 327.432 2.000 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265615345 1323268981 /nfs/dbraw/zinc/26/89/81/1323268981.db2.gz FSZWZPMEHDGVKG-SJORKVTESA-N 2 2 330.476 2.240 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]Cc3cncc(F)c3)ccn12 ZINC001265774815 1323374857 /nfs/dbraw/zinc/37/48/57/1323374857.db2.gz JPKJRAORQNZMJC-GFCCVEGCSA-N 2 2 341.390 2.085 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCC1=CCCCC1 ZINC001265792525 1323384266 /nfs/dbraw/zinc/38/42/66/1323384266.db2.gz PJSFMZOXZDJMRQ-NVXWUHKLSA-N 2 2 330.476 2.430 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265991139 1323549271 /nfs/dbraw/zinc/54/92/71/1323549271.db2.gz ZTBGBEPUFIGOAH-QCDWVSHVSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)=CC[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001279368038 1323887016 /nfs/dbraw/zinc/88/70/16/1323887016.db2.gz FZBRYKYQHXUJAV-UHFFFAOYSA-N 2 2 330.476 2.290 10 0 EEAELP O=C(NCC1([NH2+]CCCCCF)CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001280491467 1324253253 /nfs/dbraw/zinc/25/32/53/1324253253.db2.gz PWTRAEATDAUPTB-OAHLLOKOSA-N 2 2 336.455 2.214 10 0 EEAELP CC(C)OCCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001280493179 1324254828 /nfs/dbraw/zinc/25/48/28/1324254828.db2.gz IDQVGLVWWNYUEI-UHFFFAOYSA-N 2 2 344.459 2.392 10 0 EEAELP CC/C=C/CC[NH+]1CC2(C1)CN(C(=O)CCC[NH+]1CCCC1)CCO2 ZINC001280922944 1324640473 /nfs/dbraw/zinc/64/04/73/1324640473.db2.gz ZCOUKYXKMDLJPA-ONEGZZNKSA-N 2 2 349.519 2.132 10 0 EEAELP COCCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001276607068 1324756393 /nfs/dbraw/zinc/75/63/93/1324756393.db2.gz GJGOUSNVLDYJHR-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP COCCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001276607068 1324756397 /nfs/dbraw/zinc/75/63/97/1324756397.db2.gz GJGOUSNVLDYJHR-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP COCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001281668814 1325385073 /nfs/dbraw/zinc/38/50/73/1325385073.db2.gz DYLUIZJMAPXVEF-HIFRSBDPSA-N 2 2 330.432 2.182 10 0 EEAELP COCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001281668814 1325385082 /nfs/dbraw/zinc/38/50/82/1325385082.db2.gz DYLUIZJMAPXVEF-HIFRSBDPSA-N 2 2 330.432 2.182 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001281887574 1325499245 /nfs/dbraw/zinc/49/92/45/1325499245.db2.gz JFIGOEQYHFISTJ-LBPRGKRZSA-N 2 2 331.247 2.242 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CCC[C@H]1CCOC1 ZINC001281890370 1325500663 /nfs/dbraw/zinc/50/06/63/1325500663.db2.gz NMZUKRBFYCGPEP-IRXDYDNUSA-N 2 2 348.491 2.048 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001283555275 1326129488 /nfs/dbraw/zinc/12/94/88/1326129488.db2.gz UYXIEBXUOGOWLV-GFCCVEGCSA-N 2 2 346.397 2.466 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001316637356 1326898553 /nfs/dbraw/zinc/89/85/53/1326898553.db2.gz YIARBBXGBIABGQ-IYARVYRRSA-N 2 2 340.471 2.378 10 0 EEAELP Cc1cncc(C[NH2+][C@H](C)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001492089683 1330996953 /nfs/dbraw/zinc/99/69/53/1330996953.db2.gz FJQQWNXYUQCCOG-HZPDHXFCSA-N 2 2 329.448 2.222 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1csc(Cl)n1 ZINC001316886680 1331952448 /nfs/dbraw/zinc/95/24/48/1331952448.db2.gz HJEFMDJSYCLVOT-CYBMUJFWSA-N 2 2 344.912 2.219 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1csc(Cl)n1 ZINC001316886680 1331952451 /nfs/dbraw/zinc/95/24/51/1331952451.db2.gz HJEFMDJSYCLVOT-CYBMUJFWSA-N 2 2 344.912 2.219 10 0 EEAELP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1csc(Cl)n1 ZINC001316886680 1331952454 /nfs/dbraw/zinc/95/24/54/1331952454.db2.gz HJEFMDJSYCLVOT-CYBMUJFWSA-N 2 2 344.912 2.219 10 0 EEAELP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1csc(Cl)n1 ZINC001316886680 1331952455 /nfs/dbraw/zinc/95/24/55/1331952455.db2.gz HJEFMDJSYCLVOT-CYBMUJFWSA-N 2 2 344.912 2.219 10 0 EEAELP CC(C)OCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001317115472 1332085474 /nfs/dbraw/zinc/08/54/74/1332085474.db2.gz FJGUSYRKEUQHJH-CALCHBBNSA-N 2 2 342.443 2.148 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001317120961 1332086694 /nfs/dbraw/zinc/08/66/94/1332086694.db2.gz GSDOOGVWLVOARM-BNOWGMLFSA-N 2 2 347.850 2.074 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001317120961 1332086696 /nfs/dbraw/zinc/08/66/96/1332086696.db2.gz GSDOOGVWLVOARM-BNOWGMLFSA-N 2 2 347.850 2.074 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317151915 1332101678 /nfs/dbraw/zinc/10/16/78/1332101678.db2.gz LNTJUMMQBHCNBZ-SJORKVTESA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317186636 1332121317 /nfs/dbraw/zinc/12/13/17/1332121317.db2.gz AEYUCXBIYVDGER-IAGOWNOFSA-N 2 2 332.492 2.462 10 0 EEAELP COCCCCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001319095168 1332648427 /nfs/dbraw/zinc/64/84/27/1332648427.db2.gz CNMOFVYQSUCHDU-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1nsc2ccccc12 ZINC001319292522 1332676374 /nfs/dbraw/zinc/67/63/74/1332676374.db2.gz WFVLLIIQWFPZLF-ZDUSSCGKSA-N 2 2 343.456 2.035 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001320133424 1332834757 /nfs/dbraw/zinc/83/47/57/1332834757.db2.gz PFSNLDOKHIBOSI-IEBWSBKVSA-N 2 2 340.471 2.460 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001320133424 1332834761 /nfs/dbraw/zinc/83/47/61/1332834761.db2.gz PFSNLDOKHIBOSI-IEBWSBKVSA-N 2 2 340.471 2.460 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001322579525 1333287348 /nfs/dbraw/zinc/28/73/48/1333287348.db2.gz GQFXJZGOHYOVJV-QGZVFWFLSA-N 2 2 326.444 2.084 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@@H](CC[NH2+]Cc2nccs2)C1)n1cc[nH+]c1 ZINC001326378781 1334079920 /nfs/dbraw/zinc/07/99/20/1334079920.db2.gz BORJFXSTIZWGNG-LSDHHAIUSA-N 2 2 347.488 2.319 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001326446150 1334095618 /nfs/dbraw/zinc/09/56/18/1334095618.db2.gz LQMBBZCYONFLSZ-GFCCVEGCSA-N 2 2 331.247 2.030 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329460679 1334655185 /nfs/dbraw/zinc/65/51/85/1334655185.db2.gz RKRSKBUXJRMKSE-NEPJUHHUSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329460679 1334655189 /nfs/dbraw/zinc/65/51/89/1334655189.db2.gz RKRSKBUXJRMKSE-NEPJUHHUSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329460679 1334655195 /nfs/dbraw/zinc/65/51/95/1334655195.db2.gz RKRSKBUXJRMKSE-NEPJUHHUSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329460679 1334655201 /nfs/dbraw/zinc/65/52/01/1334655201.db2.gz RKRSKBUXJRMKSE-NEPJUHHUSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1 ZINC001330666007 1334884752 /nfs/dbraw/zinc/88/47/52/1334884752.db2.gz DGJSOTWRQIHXOP-KKUMJFAQSA-N 2 2 346.500 2.377 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1 ZINC001330666007 1334884753 /nfs/dbraw/zinc/88/47/53/1334884753.db2.gz DGJSOTWRQIHXOP-KKUMJFAQSA-N 2 2 346.500 2.377 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1F ZINC001330972519 1334938417 /nfs/dbraw/zinc/93/84/17/1334938417.db2.gz RJZDGRJGVBDWHN-CYBMUJFWSA-N 2 2 332.423 2.474 10 0 EEAELP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001332198774 1335760666 /nfs/dbraw/zinc/76/06/66/1335760666.db2.gz LLLWOYKAYJZYNG-DZGCQCFKSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001332198774 1335760670 /nfs/dbraw/zinc/76/06/70/1335760670.db2.gz LLLWOYKAYJZYNG-DZGCQCFKSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001332873629 1335922584 /nfs/dbraw/zinc/92/25/84/1335922584.db2.gz HODNAIJLULSHKL-JTQLQIEISA-N 2 2 333.263 2.392 10 0 EEAELP O=C(NCC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1C(F)(F)F ZINC001334391806 1336247624 /nfs/dbraw/zinc/24/76/24/1336247624.db2.gz ZUYLQIBGEPSQTH-CQSZACIVSA-N 2 2 341.377 2.309 10 0 EEAELP C/C(=C\c1ccccn1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485354 1338095791 /nfs/dbraw/zinc/09/57/91/1338095791.db2.gz MXIUDSLJHGRRQX-JRJUITNWSA-N 2 2 342.487 2.112 10 0 EEAELP C/C(=C\c1ccccn1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485354 1338095795 /nfs/dbraw/zinc/09/57/95/1338095795.db2.gz MXIUDSLJHGRRQX-JRJUITNWSA-N 2 2 342.487 2.112 10 0 EEAELP CCN(CC[NH2+]CC[C@H]1CCCCO1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001668614074 1355972950 /nfs/dbraw/zinc/97/29/50/1355972950.db2.gz JNPNGQCUXUQBPY-OAHLLOKOSA-N 2 2 336.480 2.085 10 0 EEAELP Cc1cc(N(C)CCNC(=O)CC2CC[NH+](C)CC2)nc(C(C)C)[nH+]1 ZINC001436002801 1342006761 /nfs/dbraw/zinc/00/67/61/1342006761.db2.gz GSNDFNNBWIAYNY-UHFFFAOYSA-N 2 2 347.507 2.193 10 0 EEAELP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001502731237 1342227279 /nfs/dbraw/zinc/22/72/79/1342227279.db2.gz KXCDLKYGIOOHNN-RDJZCZTQSA-N 2 2 346.500 2.404 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671971483 1356446744 /nfs/dbraw/zinc/44/67/44/1356446744.db2.gz BSEOLTRQDICVJM-VQTKUKTRSA-N 2 2 340.418 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671971483 1356446747 /nfs/dbraw/zinc/44/67/47/1356446747.db2.gz BSEOLTRQDICVJM-VQTKUKTRSA-N 2 2 340.418 2.382 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001506637911 1342298198 /nfs/dbraw/zinc/29/81/98/1342298198.db2.gz BUWBWCVCCOFFBW-OAHLLOKOSA-N 2 2 344.503 2.370 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001566625132 1342583718 /nfs/dbraw/zinc/58/37/18/1342583718.db2.gz DYEGHPCLDJKVDF-RYTMFUSVSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001566625132 1342583722 /nfs/dbraw/zinc/58/37/22/1342583722.db2.gz DYEGHPCLDJKVDF-RYTMFUSVSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)on1 ZINC001675920641 1357070066 /nfs/dbraw/zinc/07/00/66/1357070066.db2.gz QHHKRUMSKMSWPU-ZDUSSCGKSA-N 2 2 347.463 2.298 10 0 EEAELP CC/C=C/CC[NH+]1CC(N(C)C(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001569501388 1342887674 /nfs/dbraw/zinc/88/76/74/1342887674.db2.gz DCCXQIBPVMXSTH-SNAWJCMRSA-N 2 2 339.443 2.380 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@H](C[NH2+]CCC3CC3)C2)c[nH+]1 ZINC001569841318 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ZINC001436742794 1088225046 /nfs/dbraw/zinc/22/50/46/1088225046.db2.gz LEBPJZDKDBORAV-GOEBONIOSA-N 2 2 330.407 2.364 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C2CC2)c1 ZINC001436813669 1088403616 /nfs/dbraw/zinc/40/36/16/1088403616.db2.gz OXQZZLXFQALJPQ-UGSOOPFHSA-N 2 2 342.443 2.206 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001436910530 1088568696 /nfs/dbraw/zinc/56/86/96/1088568696.db2.gz FSIDZPYLBHWVJS-AAVRWANBSA-N 2 2 340.418 2.261 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001436910530 1088568710 /nfs/dbraw/zinc/56/87/10/1088568710.db2.gz FSIDZPYLBHWVJS-AAVRWANBSA-N 2 2 340.418 2.261 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001436992649 1088718288 /nfs/dbraw/zinc/71/82/88/1088718288.db2.gz IIELXUUDGQAUOT-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001436992649 1088718308 /nfs/dbraw/zinc/71/83/08/1088718308.db2.gz IIELXUUDGQAUOT-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001436992649 1088718319 /nfs/dbraw/zinc/71/83/19/1088718319.db2.gz IIELXUUDGQAUOT-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001436992649 1088718334 /nfs/dbraw/zinc/71/83/34/1088718334.db2.gz IIELXUUDGQAUOT-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001437903944 1090484679 /nfs/dbraw/zinc/48/46/79/1090484679.db2.gz IYPWNGCFVFTZBW-GOSISDBHSA-N 2 2 348.466 2.129 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001437903944 1090484681 /nfs/dbraw/zinc/48/46/81/1090484681.db2.gz IYPWNGCFVFTZBW-GOSISDBHSA-N 2 2 348.466 2.129 10 0 EEAELP C[N@H+](CCc1ccccc1F)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001437994329 1090593954 /nfs/dbraw/zinc/59/39/54/1090593954.db2.gz WCGUUJPOQCMZDN-INIZCTEOSA-N 2 2 344.434 2.045 10 0 EEAELP C[N@@H+](CCc1ccccc1F)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001437994329 1090593959 /nfs/dbraw/zinc/59/39/59/1090593959.db2.gz WCGUUJPOQCMZDN-INIZCTEOSA-N 2 2 344.434 2.045 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccccc1 ZINC001445392300 1091136281 /nfs/dbraw/zinc/13/62/81/1091136281.db2.gz ASPMDAKYTJQBRX-HUUCEWRRSA-N 2 2 327.428 2.488 10 0 EEAELP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001445399638 1091146484 /nfs/dbraw/zinc/14/64/84/1091146484.db2.gz QWBDQYUNVHGOLJ-GDBMZVCRSA-N 2 2 330.476 2.120 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)o1 ZINC001438688060 1091189012 /nfs/dbraw/zinc/18/90/12/1091189012.db2.gz DSVUMAAXOUBCOS-GOEBONIOSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001438688060 1091189018 /nfs/dbraw/zinc/18/90/18/1091189018.db2.gz DSVUMAAXOUBCOS-GOEBONIOSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)co1 ZINC001438709822 1091224772 /nfs/dbraw/zinc/22/47/72/1091224772.db2.gz BXSSRRHPEBHXOL-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445618290 1091413371 /nfs/dbraw/zinc/41/33/71/1091413371.db2.gz PMDCVYPRCCNHBE-STQMWFEESA-N 2 2 336.386 2.407 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445628661 1091421298 /nfs/dbraw/zinc/42/12/98/1091421298.db2.gz WZKABPPSGDBKFP-RYUDHWBXSA-N 2 2 336.386 2.161 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445628661 1091421301 /nfs/dbraw/zinc/42/13/01/1091421301.db2.gz WZKABPPSGDBKFP-RYUDHWBXSA-N 2 2 336.386 2.161 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)o1 ZINC001438887181 1091530205 /nfs/dbraw/zinc/53/02/05/1091530205.db2.gz AALVOSNLLBNRCQ-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)o1 ZINC001438887181 1091530210 /nfs/dbraw/zinc/53/02/10/1091530210.db2.gz AALVOSNLLBNRCQ-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)o1 ZINC001438887181 1091530218 /nfs/dbraw/zinc/53/02/18/1091530218.db2.gz AALVOSNLLBNRCQ-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)o1 ZINC001438887181 1091530224 /nfs/dbraw/zinc/53/02/24/1091530224.db2.gz AALVOSNLLBNRCQ-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001438887182 1091530507 /nfs/dbraw/zinc/53/05/07/1091530507.db2.gz AALVOSNLLBNRCQ-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001438887182 1091530513 /nfs/dbraw/zinc/53/05/13/1091530513.db2.gz AALVOSNLLBNRCQ-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001438887182 1091530518 /nfs/dbraw/zinc/53/05/18/1091530518.db2.gz AALVOSNLLBNRCQ-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)o1 ZINC001438887182 1091530526 /nfs/dbraw/zinc/53/05/26/1091530526.db2.gz AALVOSNLLBNRCQ-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)c1 ZINC001439153976 1091796051 /nfs/dbraw/zinc/79/60/51/1091796051.db2.gz ACOFTQNSKPVOIX-KBAYOESNSA-N 2 2 340.471 2.435 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439221705 1091866606 /nfs/dbraw/zinc/86/66/06/1091866606.db2.gz KAIJBVMEVFDBHY-GOEBONIOSA-N 2 2 344.434 2.188 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC001445996268 1091971827 /nfs/dbraw/zinc/97/18/27/1091971827.db2.gz ZOZGLKLBQMPQOI-GXTWGEPZSA-N 2 2 340.418 2.262 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC001446060561 1092072234 /nfs/dbraw/zinc/07/22/34/1092072234.db2.gz KUBDGQBKOKQWPF-FUHWJXTLSA-N 2 2 342.418 2.209 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC001446060561 1092072238 /nfs/dbraw/zinc/07/22/38/1092072238.db2.gz KUBDGQBKOKQWPF-FUHWJXTLSA-N 2 2 342.418 2.209 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001440359388 1093520192 /nfs/dbraw/zinc/52/01/92/1093520192.db2.gz CEKMNSVZPQJSFT-KOMQPUFPSA-N 2 2 332.835 2.221 10 0 EEAELP CCC1([NH2+]CC[C@H]2CCCO2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001440536837 1093798804 /nfs/dbraw/zinc/79/88/04/1093798804.db2.gz FHJUKBPIADOSPF-MRXNPFEDSA-N 2 2 348.491 2.191 10 0 EEAELP CCC1([NH2+]Cc2c(C)noc2C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001440539627 1093805602 /nfs/dbraw/zinc/80/56/02/1093805602.db2.gz PXHXYFMKYAISSM-UHFFFAOYSA-N 2 2 345.447 2.049 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001449028325 1094035951 /nfs/dbraw/zinc/03/59/51/1094035951.db2.gz ZZIYJZOMLHUWMX-IEBWSBKVSA-N 2 2 348.491 2.202 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001449028325 1094035958 /nfs/dbraw/zinc/03/59/58/1094035958.db2.gz ZZIYJZOMLHUWMX-IEBWSBKVSA-N 2 2 348.491 2.202 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001440836018 1094088725 /nfs/dbraw/zinc/08/87/25/1094088725.db2.gz VYGOEDIQPLMVIJ-GCZRAQGHSA-N 2 2 326.444 2.469 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1cc(C2CC2)no1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449282592 1094231807 /nfs/dbraw/zinc/23/18/07/1094231807.db2.gz YNWQKKULBSKMLW-MRXNPFEDSA-N 2 2 348.491 2.173 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1cc(C2CC2)no1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001449282592 1094231812 /nfs/dbraw/zinc/23/18/12/1094231812.db2.gz YNWQKKULBSKMLW-MRXNPFEDSA-N 2 2 348.491 2.173 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1cc(C2CC2)no1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449282592 1094231817 /nfs/dbraw/zinc/23/18/17/1094231817.db2.gz YNWQKKULBSKMLW-MRXNPFEDSA-N 2 2 348.491 2.173 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1cc(C2CC2)no1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449282592 1094231821 /nfs/dbraw/zinc/23/18/21/1094231821.db2.gz YNWQKKULBSKMLW-MRXNPFEDSA-N 2 2 348.491 2.173 10 0 EEAELP Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441034518 1094327628 /nfs/dbraw/zinc/32/76/28/1094327628.db2.gz PLLLHITZOKNZJT-AEFFLSMTSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441034518 1094327642 /nfs/dbraw/zinc/32/76/42/1094327642.db2.gz PLLLHITZOKNZJT-AEFFLSMTSA-N 2 2 341.459 2.318 10 0 EEAELP CC(C)OCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001441156473 1094499609 /nfs/dbraw/zinc/49/96/09/1094499609.db2.gz MTXDRUPNEFXKDK-DLBZAZTESA-N 2 2 348.491 2.230 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]Cc1ccccc1 ZINC001441867372 1095976953 /nfs/dbraw/zinc/97/69/53/1095976953.db2.gz POKBDGXIZUOOCE-RDTXWAMCSA-N 2 2 341.459 2.085 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+]Cc1ccccc1 ZINC001441867372 1095976963 /nfs/dbraw/zinc/97/69/63/1095976963.db2.gz POKBDGXIZUOOCE-RDTXWAMCSA-N 2 2 341.459 2.085 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001441884639 1096014265 /nfs/dbraw/zinc/01/42/65/1096014265.db2.gz UCJPMFLPANBVEF-ZHALLVOQSA-N 2 2 348.491 2.372 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001441884639 1096014281 /nfs/dbraw/zinc/01/42/81/1096014281.db2.gz UCJPMFLPANBVEF-ZHALLVOQSA-N 2 2 348.491 2.372 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)CCCn3cc[nH+]c3)[C@H]2C)o1 ZINC001441902960 1096064117 /nfs/dbraw/zinc/06/41/17/1096064117.db2.gz XXSKXULIYAAABW-PBHICJAKSA-N 2 2 345.447 2.129 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)CCCn3cc[nH+]c3)[C@H]2C)o1 ZINC001441902960 1096064133 /nfs/dbraw/zinc/06/41/33/1096064133.db2.gz XXSKXULIYAAABW-PBHICJAKSA-N 2 2 345.447 2.129 10 0 EEAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ncc(C)s1 ZINC001444010675 1098527493 /nfs/dbraw/zinc/52/74/93/1098527493.db2.gz QEIXVAQRCHYBHV-JSGCOSHPSA-N 2 2 335.477 2.284 10 0 EEAELP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001444082004 1098609832 /nfs/dbraw/zinc/60/98/32/1098609832.db2.gz TUYDAMGPCIUYTE-HUUCEWRRSA-N 2 2 336.455 2.212 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc2c[nH+]cn2C)c1 ZINC001444395752 1098989406 /nfs/dbraw/zinc/98/94/06/1098989406.db2.gz YHVUNXNRLSDURV-GJZGRUSLSA-N 2 2 344.459 2.074 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)CCO1)n1cc[nH+]c1 ZINC001444454036 1099103213 /nfs/dbraw/zinc/10/32/13/1099103213.db2.gz SWFLRVLQNANDRL-FUHWJXTLSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)CCO1)n1cc[nH+]c1 ZINC001444454036 1099103217 /nfs/dbraw/zinc/10/32/17/1099103217.db2.gz SWFLRVLQNANDRL-FUHWJXTLSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](Cc1cccnc1C)C1CC1 ZINC001479879960 1099246707 /nfs/dbraw/zinc/24/67/07/1099246707.db2.gz PIBWXUPCQNLLPF-UHFFFAOYSA-N 2 2 341.459 2.135 10 0 EEAELP CCCCC[NH+]1CCN(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001479933681 1099348548 /nfs/dbraw/zinc/34/85/48/1099348548.db2.gz JOGGWDOPUODLNF-UHFFFAOYSA-N 2 2 343.475 2.101 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC001479955377 1099390769 /nfs/dbraw/zinc/39/07/69/1099390769.db2.gz QXWZYROGFNZZSD-QGZVFWFLSA-N 2 2 342.443 2.002 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC001479955377 1099390781 /nfs/dbraw/zinc/39/07/81/1099390781.db2.gz QXWZYROGFNZZSD-QGZVFWFLSA-N 2 2 342.443 2.002 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC001479955377 1099390791 /nfs/dbraw/zinc/39/07/91/1099390791.db2.gz QXWZYROGFNZZSD-QGZVFWFLSA-N 2 2 342.443 2.002 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC001479955377 1099390802 /nfs/dbraw/zinc/39/08/02/1099390802.db2.gz QXWZYROGFNZZSD-QGZVFWFLSA-N 2 2 342.443 2.002 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC001480068854 1099605135 /nfs/dbraw/zinc/60/51/35/1099605135.db2.gz LMLNYYJIXDHDCU-DZGCQCFKSA-N 2 2 340.418 2.193 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001480155010 1099726470 /nfs/dbraw/zinc/72/64/70/1099726470.db2.gz GACKDVXQGXKGSE-JFIYKMOQSA-N 2 2 337.508 2.057 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001480155010 1099726492 /nfs/dbraw/zinc/72/64/92/1099726492.db2.gz GACKDVXQGXKGSE-JFIYKMOQSA-N 2 2 337.508 2.057 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]Cc2nccs2)C(C)C)c[nH+]1 ZINC001444902775 1099960353 /nfs/dbraw/zinc/96/03/53/1099960353.db2.gz YVPYRGZASKDFGJ-AWEZNQCLSA-N 2 2 349.504 2.314 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC001480272641 1099978693 /nfs/dbraw/zinc/97/86/93/1099978693.db2.gz WSVYMUVBXYAXPW-CQSZACIVSA-N 2 2 346.397 2.444 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC001480272641 1099978697 /nfs/dbraw/zinc/97/86/97/1099978697.db2.gz WSVYMUVBXYAXPW-CQSZACIVSA-N 2 2 346.397 2.444 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001480560118 1100402099 /nfs/dbraw/zinc/40/20/99/1100402099.db2.gz BUYXOKVBEBEHIG-IFIJOSMWSA-N 2 2 348.397 2.095 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001496207087 1100748169 /nfs/dbraw/zinc/74/81/69/1100748169.db2.gz NISVYNHZNKQMEW-BJIFSAINSA-N 2 2 326.444 2.113 10 0 EEAELP CN(C(=O)CCC[NH+](C)C)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001446387612 1100774099 /nfs/dbraw/zinc/77/40/99/1100774099.db2.gz VIZUCCLVRSPACT-UHFFFAOYSA-N 2 2 337.895 2.367 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1(C)CC[NH+](Cc2ccsc2)CC1 ZINC001446480074 1100910183 /nfs/dbraw/zinc/91/01/83/1100910183.db2.gz KPIQJHNCDPGYNE-UHFFFAOYSA-N 2 2 332.473 2.195 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)CC1 ZINC001495470023 1101180594 /nfs/dbraw/zinc/18/05/94/1101180594.db2.gz IDTVWNJUVQAJGK-WKILWMFISA-N 2 2 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1107443659 /nfs/dbraw/zinc/44/36/59/1107443659.db2.gz HOWIIOJJDYAWCJ-CVEARBPZSA-N 2 2 344.459 2.480 10 0 EEAELP COc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001498392587 1107443665 /nfs/dbraw/zinc/44/36/65/1107443665.db2.gz HOWIIOJJDYAWCJ-CVEARBPZSA-N 2 2 344.459 2.480 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001493126744 1107551533 /nfs/dbraw/zinc/55/15/33/1107551533.db2.gz ZLDURQHBHVDAPZ-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001493126744 1107551536 /nfs/dbraw/zinc/55/15/36/1107551536.db2.gz ZLDURQHBHVDAPZ-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[C@H]2CC[NH+](C)C2)o1 ZINC001493150134 1107597686 /nfs/dbraw/zinc/59/76/86/1107597686.db2.gz BBJBGIRFSUJXKJ-HZPDHXFCSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[N@H+]2CCC[C@@H]2CNC(=O)C[C@H]2CC[NH+](C)C2)o1 ZINC001493150134 1107597701 /nfs/dbraw/zinc/59/77/01/1107597701.db2.gz 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ZINC000328614212 258037799 /nfs/dbraw/zinc/03/77/99/258037799.db2.gz AALBUDGLBVGGLV-WMZOPIPTSA-N 2 2 339.443 2.364 10 0 EEAELP Cc1c[nH+]ccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328614212 258037800 /nfs/dbraw/zinc/03/78/00/258037800.db2.gz AALBUDGLBVGGLV-WMZOPIPTSA-N 2 2 339.443 2.364 10 0 EEAELP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000261997076 285534899 /nfs/dbraw/zinc/53/48/99/285534899.db2.gz UDZZKMFFGKOGMF-KZNAEPCWSA-N 3 2 326.444 2.119 10 0 EEAELP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172749399 152114638 /nfs/dbraw/zinc/11/46/38/152114638.db2.gz XFDLWPKRSBIVMX-RBUKOAKNSA-N 2 2 345.487 2.003 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173594742 152180788 /nfs/dbraw/zinc/18/07/88/152180788.db2.gz XQTTZMOPPDOADL-QGZVFWFLSA-N 2 2 344.503 2.499 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173594742 152180792 /nfs/dbraw/zinc/18/07/92/152180792.db2.gz XQTTZMOPPDOADL-QGZVFWFLSA-N 2 2 344.503 2.499 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[NH+]2CCCC2)cc1 ZINC000263102596 152374362 /nfs/dbraw/zinc/37/43/62/152374362.db2.gz ZPWKRLSTZSGHIL-JKSUJKDBSA-N 2 2 337.414 2.245 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000249635367 160383291 /nfs/dbraw/zinc/38/32/91/160383291.db2.gz RSFHHFYFVIDXSR-MAUKXSAKSA-N 2 2 342.491 2.428 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000249635367 160383293 /nfs/dbraw/zinc/38/32/93/160383293.db2.gz RSFHHFYFVIDXSR-MAUKXSAKSA-N 2 2 342.491 2.428 10 0 EEAELP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649596 160184662 /nfs/dbraw/zinc/18/46/62/160184662.db2.gz YGQJDJATZAVJLQ-ZACQAIPSSA-N 2 2 342.487 2.107 10 0 EEAELP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649596 160184663 /nfs/dbraw/zinc/18/46/63/160184663.db2.gz YGQJDJATZAVJLQ-ZACQAIPSSA-N 2 2 342.487 2.107 10 0 EEAELP 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C[C@@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193656949 160185581 /nfs/dbraw/zinc/18/55/81/160185581.db2.gz ZAJJITOZEHZTOZ-CLWVCHIJSA-N 2 2 335.879 2.399 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245418128 160233226 /nfs/dbraw/zinc/23/32/26/160233226.db2.gz GKESAKGPSMOWEI-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245418128 160233228 /nfs/dbraw/zinc/23/32/28/160233228.db2.gz GKESAKGPSMOWEI-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245418128 160233229 /nfs/dbraw/zinc/23/32/29/160233229.db2.gz GKESAKGPSMOWEI-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245418128 160233231 /nfs/dbraw/zinc/23/32/31/160233231.db2.gz GKESAKGPSMOWEI-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP 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COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247972740 160334609 /nfs/dbraw/zinc/33/46/09/160334609.db2.gz HMPVDTPQEYYWRQ-FUHWJXTLSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247972740 160334611 /nfs/dbraw/zinc/33/46/11/160334611.db2.gz HMPVDTPQEYYWRQ-FUHWJXTLSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247972740 160334613 /nfs/dbraw/zinc/33/46/13/160334613.db2.gz HMPVDTPQEYYWRQ-FUHWJXTLSA-N 2 2 345.487 2.070 10 0 EEAELP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@H]1C ZINC000345750642 161328658 /nfs/dbraw/zinc/32/86/58/161328658.db2.gz AZUXRQKQIJPWLH-NEPJUHHUSA-N 2 2 347.385 2.070 10 0 EEAELP CC[N@H+]1C[C@H](C)N(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@H]1C ZINC000345750642 161328659 /nfs/dbraw/zinc/32/86/59/161328659.db2.gz AZUXRQKQIJPWLH-NEPJUHHUSA-N 2 2 347.385 2.070 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000355410801 163180484 /nfs/dbraw/zinc/18/04/84/163180484.db2.gz LINITQOQSKTSNP-HZPDHXFCSA-N 2 2 326.444 2.420 10 0 EEAELP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CCn2cc[nH+]c2)cs1 ZINC000360780025 164379265 /nfs/dbraw/zinc/37/92/65/164379265.db2.gz JAQBPLIWABNNEM-HOCLYGCPSA-N 2 2 337.468 2.192 10 0 EEAELP Cc1nc(CN2C[C@@H](F)C[C@H]2C[N@@H+](C)CCn2cc[nH+]c2)cs1 ZINC000360780025 164379266 /nfs/dbraw/zinc/37/92/66/164379266.db2.gz JAQBPLIWABNNEM-HOCLYGCPSA-N 2 2 337.468 2.192 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000376284081 167296361 /nfs/dbraw/zinc/29/63/61/167296361.db2.gz XOGDAUNPWOULJE-CQSZACIVSA-N 2 2 333.480 2.227 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000376284081 167296365 /nfs/dbraw/zinc/29/63/65/167296365.db2.gz XOGDAUNPWOULJE-CQSZACIVSA-N 2 2 333.480 2.227 10 0 EEAELP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000375898705 275053908 /nfs/dbraw/zinc/05/39/08/275053908.db2.gz WKJGIAHYUUPMPS-SJLPKXTDSA-N 2 2 326.444 2.144 10 0 EEAELP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000375898705 275053910 /nfs/dbraw/zinc/05/39/10/275053910.db2.gz WKJGIAHYUUPMPS-SJLPKXTDSA-N 2 2 326.444 2.144 10 0 EEAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)C2 ZINC000291190270 275280011 /nfs/dbraw/zinc/28/00/11/275280011.db2.gz FXUXUBDZDLOMEU-OAHLLOKOSA-N 2 2 344.434 2.271 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292208848 275394321 /nfs/dbraw/zinc/39/43/21/275394321.db2.gz TVNPQGSJXXHNIK-YLJYHZDGSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292208848 275394324 /nfs/dbraw/zinc/39/43/24/275394324.db2.gz TVNPQGSJXXHNIK-YLJYHZDGSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292208848 275394327 /nfs/dbraw/zinc/39/43/27/275394327.db2.gz TVNPQGSJXXHNIK-YLJYHZDGSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292208848 275394328 /nfs/dbraw/zinc/39/43/28/275394328.db2.gz TVNPQGSJXXHNIK-YLJYHZDGSA-N 2 2 329.488 2.070 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc3c[nH]nc3c2)nc[nH+]1 ZINC000171627069 311409218 /nfs/dbraw/zinc/40/92/18/311409218.db2.gz IVJOCOAYVVOQRE-HNNXBMFYSA-N 2 2 337.431 2.153 10 0 EEAELP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000524273599 317012068 /nfs/dbraw/zinc/01/20/68/317012068.db2.gz DKICQFYROFGQHG-QGZVFWFLSA-N 2 2 339.443 2.250 10 0 EEAELP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000524273599 317012069 /nfs/dbraw/zinc/01/20/69/317012069.db2.gz DKICQFYROFGQHG-QGZVFWFLSA-N 2 2 339.443 2.250 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)ccn1 ZINC000527539562 317207492 /nfs/dbraw/zinc/20/74/92/317207492.db2.gz RWGUVGQCBLJRDC-IRXDYDNUSA-N 2 2 331.439 2.168 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)ccn1 ZINC000527539562 317207494 /nfs/dbraw/zinc/20/74/94/317207494.db2.gz RWGUVGQCBLJRDC-IRXDYDNUSA-N 2 2 331.439 2.168 10 0 EEAELP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000528000902 317300755 /nfs/dbraw/zinc/30/07/55/317300755.db2.gz FOGVIWKTADKQEZ-SFHVURJKSA-N 2 2 336.439 2.467 10 0 EEAELP CN(CCC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1cc[nH+]cc1 ZINC000540927295 318084640 /nfs/dbraw/zinc/08/46/40/318084640.db2.gz UWYVVFAIKUNXFR-UHFFFAOYSA-N 2 2 339.443 2.220 10 0 EEAELP C[C@@H](Cc1ccsc1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000544024215 318178362 /nfs/dbraw/zinc/17/83/62/318178362.db2.gz VGKNPRIFZKCZRH-AWEZNQCLSA-N 2 2 331.489 2.357 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563621999 319031341 /nfs/dbraw/zinc/03/13/41/319031341.db2.gz BWYSJIYUVNCGKM-HNNXBMFYSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563621999 319031343 /nfs/dbraw/zinc/03/13/43/319031343.db2.gz BWYSJIYUVNCGKM-HNNXBMFYSA-N 2 2 330.476 2.240 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000566242356 319264234 /nfs/dbraw/zinc/26/42/34/319264234.db2.gz NKSBQRIGPUUMLH-QGZVFWFLSA-N 2 2 340.464 2.065 10 0 EEAELP O=S(=O)(CCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000566242356 319264235 /nfs/dbraw/zinc/26/42/35/319264235.db2.gz NKSBQRIGPUUMLH-QGZVFWFLSA-N 2 2 340.464 2.065 10 0 EEAELP Cc1[nH]c(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[nH+]c1C ZINC000570411772 319664232 /nfs/dbraw/zinc/66/42/32/319664232.db2.gz QNPACIQIZUNKTO-UHFFFAOYSA-N 2 2 341.459 2.464 10 0 EEAELP CC1(C)C[NH+](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000571462926 319757616 /nfs/dbraw/zinc/75/76/16/319757616.db2.gz YLIFMLORQXVWSB-UHFFFAOYSA-N 2 2 328.416 2.242 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000576119388 320143050 /nfs/dbraw/zinc/14/30/50/320143050.db2.gz IGJKDNPXMSWAAL-CYBMUJFWSA-N 2 2 332.366 2.477 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000576119388 320143053 /nfs/dbraw/zinc/14/30/53/320143053.db2.gz IGJKDNPXMSWAAL-CYBMUJFWSA-N 2 2 332.366 2.477 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577223006 320243318 /nfs/dbraw/zinc/24/33/18/320243318.db2.gz VMONDSGIUDQKCQ-VAECKANCSA-N 2 2 341.377 2.093 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577223006 320243320 /nfs/dbraw/zinc/24/33/20/320243320.db2.gz VMONDSGIUDQKCQ-VAECKANCSA-N 2 2 341.377 2.093 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](C)S(C)(=O)=O)c(C)c1 ZINC000578759832 323701358 /nfs/dbraw/zinc/70/13/58/323701358.db2.gz MDZDUKOZPWCIDJ-RDJZCZTQSA-N 2 2 335.473 2.264 10 0 EEAELP CN(C)c1nc(N2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)cc[nH+]1 ZINC000578912241 323734748 /nfs/dbraw/zinc/73/47/48/323734748.db2.gz PONKHLAPYMDWKF-INIZCTEOSA-N 2 2 345.491 2.156 10 0 EEAELP c1[nH+]cn2c1c(NCCCC[NH+]1CCOCC1)nc1ccccc12 ZINC000623864164 450619573 /nfs/dbraw/zinc/61/95/73/450619573.db2.gz ICIUBJAJFWUGCH-UHFFFAOYSA-N 2 2 325.416 2.407 10 0 EEAELP C[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)[C@@H](C)[NH+]1CCOCC1 ZINC000623941357 450644440 /nfs/dbraw/zinc/64/44/40/450644440.db2.gz PMKYTWWAXVCPFE-ZIAGYGMSSA-N 2 2 325.416 2.404 10 0 EEAELP CCC(CC)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCC1 ZINC000358455340 465132713 /nfs/dbraw/zinc/13/27/13/465132713.db2.gz KEQAKCGJTAUBMS-MAUKXSAKSA-N 2 2 347.507 2.467 10 0 EEAELP CCC(CC)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCCC1 ZINC000358455340 465132720 /nfs/dbraw/zinc/13/27/20/465132720.db2.gz KEQAKCGJTAUBMS-MAUKXSAKSA-N 2 2 347.507 2.467 10 0 EEAELP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351661449 465278590 /nfs/dbraw/zinc/27/85/90/465278590.db2.gz LQNBHRPGKSELPE-KRWDZBQOSA-N 2 2 340.471 2.241 10 0 EEAELP Cn1nccc1-c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000351661449 465278598 /nfs/dbraw/zinc/27/85/98/465278598.db2.gz LQNBHRPGKSELPE-KRWDZBQOSA-N 2 2 340.471 2.241 10 0 EEAELP C[NH+](C)C1(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCCC1 ZINC000076050934 462794427 /nfs/dbraw/zinc/79/44/27/462794427.db2.gz JNYOQCPYDPOXAG-UHFFFAOYSA-N 2 2 347.385 2.119 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H](C)[C@H]2C)CC1 ZINC000156064027 462973504 /nfs/dbraw/zinc/97/35/04/462973504.db2.gz KGEROTRJCCDQTR-SQNIBIBYSA-N 2 2 345.487 2.001 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H](C)[C@H]2C)CC1 ZINC000156064027 462973509 /nfs/dbraw/zinc/97/35/09/462973509.db2.gz KGEROTRJCCDQTR-SQNIBIBYSA-N 2 2 345.487 2.001 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123906559 463377706 /nfs/dbraw/zinc/37/77/06/463377706.db2.gz GVMJCWJCUUPOAO-YQVWRLOYSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123906559 463377710 /nfs/dbraw/zinc/37/77/10/463377710.db2.gz GVMJCWJCUUPOAO-YQVWRLOYSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123906559 463377714 /nfs/dbraw/zinc/37/77/14/463377714.db2.gz GVMJCWJCUUPOAO-YQVWRLOYSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123906559 463377716 /nfs/dbraw/zinc/37/77/16/463377716.db2.gz GVMJCWJCUUPOAO-YQVWRLOYSA-N 2 2 331.504 2.457 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000124025755 463386612 /nfs/dbraw/zinc/38/66/12/463386612.db2.gz NADNPAZLVOPHSD-RDBSUJKOSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000124025755 463386615 /nfs/dbraw/zinc/38/66/15/463386615.db2.gz NADNPAZLVOPHSD-RDBSUJKOSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[NH+]1C ZINC000124025755 463386619 /nfs/dbraw/zinc/38/66/19/463386619.db2.gz NADNPAZLVOPHSD-RDBSUJKOSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[NH+]1C ZINC000124025755 463386621 /nfs/dbraw/zinc/38/66/21/463386621.db2.gz NADNPAZLVOPHSD-RDBSUJKOSA-N 2 2 335.414 2.202 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081094757 463394885 /nfs/dbraw/zinc/39/48/85/463394885.db2.gz SNLMDHDXFTWVGK-UKRRQHHQSA-N 2 2 333.432 2.016 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081094757 463394888 /nfs/dbraw/zinc/39/48/88/463394888.db2.gz SNLMDHDXFTWVGK-UKRRQHHQSA-N 2 2 333.432 2.016 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081094757 463394891 /nfs/dbraw/zinc/39/48/91/463394891.db2.gz SNLMDHDXFTWVGK-UKRRQHHQSA-N 2 2 333.432 2.016 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081094757 463394893 /nfs/dbraw/zinc/39/48/93/463394893.db2.gz SNLMDHDXFTWVGK-UKRRQHHQSA-N 2 2 333.432 2.016 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000105875510 463484344 /nfs/dbraw/zinc/48/43/44/463484344.db2.gz AXTIVHQAJHTMKQ-UHFFFAOYSA-N 2 2 347.484 2.149 10 0 EEAELP Cc1cc(C)n(C[C@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)n1 ZINC000162976924 463554222 /nfs/dbraw/zinc/55/42/22/463554222.db2.gz DIMKCDPVQSXLJS-GOSISDBHSA-N 2 2 331.464 2.186 10 0 EEAELP Cc1cc(C)n(C[C@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)n1 ZINC000162976924 463554228 /nfs/dbraw/zinc/55/42/28/463554228.db2.gz DIMKCDPVQSXLJS-GOSISDBHSA-N 2 2 331.464 2.186 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)N(C)Cc1ccccc1 ZINC000083888337 463565928 /nfs/dbraw/zinc/56/59/28/463565928.db2.gz GQDFPDKLPXBBJH-WBVHZDCISA-N 2 2 326.444 2.397 10 0 EEAELP CC(C)(C[NH2+]C[C@H]1CNc2ccnn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000058326339 463579067 /nfs/dbraw/zinc/57/90/67/463579067.db2.gz SUYXGLGMOXYYRE-INIZCTEOSA-N 2 2 339.487 2.351 10 0 EEAELP CC(C)(C[NH2+]C[C@H]1CNc2ccnn2C1)[N@H+]1CCc2ccccc2C1 ZINC000058326339 463579073 /nfs/dbraw/zinc/57/90/73/463579073.db2.gz SUYXGLGMOXYYRE-INIZCTEOSA-N 2 2 339.487 2.351 10 0 EEAELP CC[NH+](CC)CCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000073417003 463611136 /nfs/dbraw/zinc/61/11/36/463611136.db2.gz ZDSMEZDMOVQREV-KRWDZBQOSA-N 2 2 343.475 2.345 10 0 EEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000171612030 463891536 /nfs/dbraw/zinc/89/15/36/463891536.db2.gz HPMMANCBXGBBLW-SFHVURJKSA-N 2 2 349.438 2.056 10 0 EEAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261922825 463901760 /nfs/dbraw/zinc/90/17/60/463901760.db2.gz KQCPTGHWVQFCKZ-JKSUJKDBSA-N 3 2 334.533 2.429 10 0 EEAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261922825 463901764 /nfs/dbraw/zinc/90/17/64/463901764.db2.gz KQCPTGHWVQFCKZ-JKSUJKDBSA-N 3 2 334.533 2.429 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000171687346 463906450 /nfs/dbraw/zinc/90/64/50/463906450.db2.gz AAJXFLFIVUSJMI-KRWDZBQOSA-N 2 2 347.528 2.077 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCS[C@@H](C)C2)CC1 ZINC000171687346 463906452 /nfs/dbraw/zinc/90/64/52/463906452.db2.gz AAJXFLFIVUSJMI-KRWDZBQOSA-N 2 2 347.528 2.077 10 0 EEAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314075 463998829 /nfs/dbraw/zinc/99/88/29/463998829.db2.gz ZJYUAXCPMWWXCA-YSHGAJCASA-N 2 2 329.488 2.356 10 0 EEAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314075 463998835 /nfs/dbraw/zinc/99/88/35/463998835.db2.gz ZJYUAXCPMWWXCA-YSHGAJCASA-N 2 2 329.488 2.356 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000226054354 464183848 /nfs/dbraw/zinc/18/38/48/464183848.db2.gz IEZSZCBYVQJCKR-QWHCGFSZSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000226054354 464183850 /nfs/dbraw/zinc/18/38/50/464183850.db2.gz IEZSZCBYVQJCKR-QWHCGFSZSA-N 2 2 333.259 2.417 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1O ZINC000180077734 464237180 /nfs/dbraw/zinc/23/71/80/464237180.db2.gz JIVZXDNBENLYJF-QGZVFWFLSA-N 2 2 333.476 2.003 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1O ZINC000180077734 464237184 /nfs/dbraw/zinc/23/71/84/464237184.db2.gz JIVZXDNBENLYJF-QGZVFWFLSA-N 2 2 333.476 2.003 10 0 EEAELP [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000237964441 464411458 /nfs/dbraw/zinc/41/14/58/464411458.db2.gz IVLQJMDNXKTHNB-BFHYXJOUSA-N 2 2 337.414 2.173 10 0 EEAELP [NH3+][C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000237964441 464411466 /nfs/dbraw/zinc/41/14/66/464411466.db2.gz IVLQJMDNXKTHNB-BFHYXJOUSA-N 2 2 337.414 2.173 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265460467 464568051 /nfs/dbraw/zinc/56/80/51/464568051.db2.gz FPZBRQFERJTNAO-AWEZNQCLSA-N 2 2 342.443 2.303 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175605449 464585665 /nfs/dbraw/zinc/58/56/65/464585665.db2.gz RBHWAWIDALZPST-UHFFFAOYSA-N 2 2 345.491 2.354 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248649827 464780138 /nfs/dbraw/zinc/78/01/38/464780138.db2.gz LJMBNJLMTCAYLD-IEBWSBKVSA-N 2 2 338.455 2.062 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248649827 464780143 /nfs/dbraw/zinc/78/01/43/464780143.db2.gz LJMBNJLMTCAYLD-IEBWSBKVSA-N 2 2 338.455 2.062 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248649827 464780147 /nfs/dbraw/zinc/78/01/47/464780147.db2.gz LJMBNJLMTCAYLD-IEBWSBKVSA-N 2 2 338.455 2.062 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248649827 464780151 /nfs/dbraw/zinc/78/01/51/464780151.db2.gz LJMBNJLMTCAYLD-IEBWSBKVSA-N 2 2 338.455 2.062 10 0 EEAELP CCOc1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)ccc1C ZINC000177146485 464944023 /nfs/dbraw/zinc/94/40/23/464944023.db2.gz BQDLPUTUAVJYFW-UHFFFAOYSA-N 2 2 333.476 2.150 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCCOC2)CC1 ZINC000352195792 465503376 /nfs/dbraw/zinc/50/33/76/465503376.db2.gz UICAYJWKIYUCFX-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCCOC2)CC1 ZINC000352195792 465503380 /nfs/dbraw/zinc/50/33/80/465503380.db2.gz UICAYJWKIYUCFX-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP Cc1[nH+]ccn1CC[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000356923584 465631786 /nfs/dbraw/zinc/63/17/86/465631786.db2.gz LHCDOSGYWDQSAC-KRWDZBQOSA-N 2 2 330.476 2.306 10 0 EEAELP C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000362418269 465722737 /nfs/dbraw/zinc/72/27/37/465722737.db2.gz FSVGMDBMWDBHPP-ZWKOTPCHSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000362418269 465722744 /nfs/dbraw/zinc/72/27/44/465722744.db2.gz FSVGMDBMWDBHPP-ZWKOTPCHSA-N 2 2 329.488 2.451 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000300689625 465892161 /nfs/dbraw/zinc/89/21/61/465892161.db2.gz IEZSZCBYVQJCKR-STQMWFEESA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000300689625 465892168 /nfs/dbraw/zinc/89/21/68/465892168.db2.gz IEZSZCBYVQJCKR-STQMWFEESA-N 2 2 333.259 2.417 10 0 EEAELP COc1ccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)[nH]c2n1 ZINC000353478986 465916556 /nfs/dbraw/zinc/91/65/56/465916556.db2.gz NFQNLGXUZOCPNL-UHFFFAOYSA-N 2 2 329.448 2.274 10 0 EEAELP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340476345 466114777 /nfs/dbraw/zinc/11/47/77/466114777.db2.gz UWZHYLOTWXWDHJ-ZDUSSCGKSA-N 2 2 344.297 2.321 10 0 EEAELP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340476345 466114767 /nfs/dbraw/zinc/11/47/67/466114767.db2.gz UWZHYLOTWXWDHJ-ZDUSSCGKSA-N 2 2 344.297 2.321 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361670008 466191045 /nfs/dbraw/zinc/19/10/45/466191045.db2.gz GMFBIPOOLOVKLL-GJZGRUSLSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361670008 466191053 /nfs/dbraw/zinc/19/10/53/466191053.db2.gz GMFBIPOOLOVKLL-GJZGRUSLSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361670008 466191060 /nfs/dbraw/zinc/19/10/60/466191060.db2.gz GMFBIPOOLOVKLL-GJZGRUSLSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361670008 466191065 /nfs/dbraw/zinc/19/10/65/466191065.db2.gz GMFBIPOOLOVKLL-GJZGRUSLSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000597196829 468478336 /nfs/dbraw/zinc/47/83/36/468478336.db2.gz CFOKYYCNKGJPAB-AUUYWEPGSA-N 2 2 343.427 2.124 10 0 EEAELP CC(C)(C)OC(=O)[C@]12COC[C@H]1C[N@@H+](Cc1cccc3[nH+]ccn31)C2 ZINC000597196829 468478341 /nfs/dbraw/zinc/47/83/41/468478341.db2.gz CFOKYYCNKGJPAB-AUUYWEPGSA-N 2 2 343.427 2.124 10 0 EEAELP COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000597219384 468482858 /nfs/dbraw/zinc/48/28/58/468482858.db2.gz BVBKUHYWZSPPRT-MRXNPFEDSA-N 2 2 335.429 2.088 10 0 EEAELP COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000597219384 468482864 /nfs/dbraw/zinc/48/28/64/468482864.db2.gz BVBKUHYWZSPPRT-MRXNPFEDSA-N 2 2 335.429 2.088 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000324185811 466644234 /nfs/dbraw/zinc/64/42/34/466644234.db2.gz IYMIDAHQFRUUTF-QILLFSRXSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000324185811 466644236 /nfs/dbraw/zinc/64/42/36/466644236.db2.gz IYMIDAHQFRUUTF-QILLFSRXSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324410326 466647051 /nfs/dbraw/zinc/64/70/51/466647051.db2.gz VOMXXSGYKMBSRC-NJAFHUGGSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324410326 466647055 /nfs/dbraw/zinc/64/70/55/466647055.db2.gz VOMXXSGYKMBSRC-NJAFHUGGSA-N 2 2 327.472 2.428 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000368608928 466687447 /nfs/dbraw/zinc/68/74/47/466687447.db2.gz TUSJOZVXFYXNTO-BZSNNMDCSA-N 2 2 336.501 2.313 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000368608928 466687452 /nfs/dbraw/zinc/68/74/52/466687452.db2.gz TUSJOZVXFYXNTO-BZSNNMDCSA-N 2 2 336.501 2.313 10 0 EEAELP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000423248284 466703783 /nfs/dbraw/zinc/70/37/83/466703783.db2.gz RKNIJIVGKUNLMZ-QAPCUYQASA-N 2 2 332.469 2.447 10 0 EEAELP Brc1cccc(C[N@H+](C[C@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000662251015 472042929 /nfs/dbraw/zinc/04/29/29/472042929.db2.gz VUBIWSXGUSTPHB-OAHLLOKOSA-N 2 2 325.250 2.402 10 0 EEAELP Brc1cccc(C[N@@H+](C[C@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000662251015 472042932 /nfs/dbraw/zinc/04/29/32/472042932.db2.gz VUBIWSXGUSTPHB-OAHLLOKOSA-N 2 2 325.250 2.402 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000373318252 466763929 /nfs/dbraw/zinc/76/39/29/466763929.db2.gz MKNGEUHBVSWALE-INIZCTEOSA-N 2 2 327.432 2.020 10 0 EEAELP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417063024 466768680 /nfs/dbraw/zinc/76/86/80/466768680.db2.gz DHSDPMANUFJADZ-MSOLQXFVSA-N 2 2 341.459 2.248 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417984331 467010458 /nfs/dbraw/zinc/01/04/58/467010458.db2.gz METXUCZJBOXFAU-LSDHHAIUSA-N 2 2 342.846 2.262 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417984331 467010459 /nfs/dbraw/zinc/01/04/59/467010459.db2.gz METXUCZJBOXFAU-LSDHHAIUSA-N 2 2 342.846 2.262 10 0 EEAELP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000377083502 467021243 /nfs/dbraw/zinc/02/12/43/467021243.db2.gz NSEQQLMWVPVWDZ-LBPRGKRZSA-N 2 2 326.356 2.498 10 0 EEAELP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377755055 467133973 /nfs/dbraw/zinc/13/39/73/467133973.db2.gz AYFXSRLVSRMJAW-QWRGUYRKSA-N 2 2 333.823 2.322 10 0 EEAELP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377755055 467133976 /nfs/dbraw/zinc/13/39/76/467133976.db2.gz AYFXSRLVSRMJAW-QWRGUYRKSA-N 2 2 333.823 2.322 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000413113301 467172219 /nfs/dbraw/zinc/17/22/19/467172219.db2.gz YDKKYXZLFFRCLB-NVXWUHKLSA-N 2 2 347.507 2.218 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CC[C@@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000413113301 467172220 /nfs/dbraw/zinc/17/22/20/467172220.db2.gz YDKKYXZLFFRCLB-NVXWUHKLSA-N 2 2 347.507 2.218 10 0 EEAELP CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000391852389 467423347 /nfs/dbraw/zinc/42/33/47/467423347.db2.gz ZYYYEOKAWBISJP-CRAIPNDOSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000391852389 467423352 /nfs/dbraw/zinc/42/33/52/467423352.db2.gz ZYYYEOKAWBISJP-CRAIPNDOSA-N 2 2 331.460 2.488 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cccn2)cc1 ZINC000453266988 467474061 /nfs/dbraw/zinc/47/40/61/467474061.db2.gz OVHFRDWEGMOBAL-APWZRJJASA-N 2 2 328.460 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(-n2cccn2)cc1 ZINC000453266988 467474064 /nfs/dbraw/zinc/47/40/64/467474064.db2.gz OVHFRDWEGMOBAL-APWZRJJASA-N 2 2 328.460 2.370 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1C ZINC000449392320 467637055 /nfs/dbraw/zinc/63/70/55/467637055.db2.gz JRZWDLCVIXLKGN-FUHWJXTLSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1C ZINC000449392320 467637059 /nfs/dbraw/zinc/63/70/59/467637059.db2.gz JRZWDLCVIXLKGN-FUHWJXTLSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000528937831 467781649 /nfs/dbraw/zinc/78/16/49/467781649.db2.gz FDUQWVBRGNDAJZ-IAGOWNOFSA-N 2 2 326.444 2.313 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000528937831 467781651 /nfs/dbraw/zinc/78/16/51/467781651.db2.gz FDUQWVBRGNDAJZ-IAGOWNOFSA-N 2 2 326.444 2.313 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000459024503 467938364 /nfs/dbraw/zinc/93/83/64/467938364.db2.gz UUUGTRPKTXJOJS-UHFFFAOYSA-N 2 2 335.477 2.238 10 0 EEAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000530244190 467967401 /nfs/dbraw/zinc/96/74/01/467967401.db2.gz XUNSVXQPQASGGN-UHFFFAOYSA-N 2 2 344.484 2.044 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)n1-c1ccccc1 ZINC000515174354 467977242 /nfs/dbraw/zinc/97/72/42/467977242.db2.gz GERPCLCMASKUEE-QAPCUYQASA-N 2 2 331.460 2.428 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000485349663 468010017 /nfs/dbraw/zinc/01/00/17/468010017.db2.gz YUKXPIZGLUUMRS-YWPYOKSTSA-N 2 2 345.531 2.488 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000485349663 468010019 /nfs/dbraw/zinc/01/00/19/468010019.db2.gz YUKXPIZGLUUMRS-YWPYOKSTSA-N 2 2 345.531 2.488 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000485349663 468010022 /nfs/dbraw/zinc/01/00/22/468010022.db2.gz YUKXPIZGLUUMRS-YWPYOKSTSA-N 2 2 345.531 2.488 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000485349663 468010025 /nfs/dbraw/zinc/01/00/25/468010025.db2.gz YUKXPIZGLUUMRS-YWPYOKSTSA-N 2 2 345.531 2.488 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@@H]3C3(O)CC3)c2cc1C ZINC000516912640 468054751 /nfs/dbraw/zinc/05/47/51/468054751.db2.gz YJWSAMYQHMALCA-VQIMIIECSA-N 2 2 343.471 2.393 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@@H]3C3(O)CC3)c2cc1C ZINC000516912640 468054752 /nfs/dbraw/zinc/05/47/52/468054752.db2.gz YJWSAMYQHMALCA-VQIMIIECSA-N 2 2 343.471 2.393 10 0 EEAELP Cc1nc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc(N(C)C)[nH+]1 ZINC000488392538 468084656 /nfs/dbraw/zinc/08/46/56/468084656.db2.gz FMVBEKMUVBRPPO-INIZCTEOSA-N 2 2 332.496 2.194 10 0 EEAELP Cc1nc(N(C)C)nc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[nH+]1 ZINC000488392538 468084659 /nfs/dbraw/zinc/08/46/59/468084659.db2.gz FMVBEKMUVBRPPO-INIZCTEOSA-N 2 2 332.496 2.194 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567888802 468230139 /nfs/dbraw/zinc/23/01/39/468230139.db2.gz RYGJJBPYYDGPAH-FQEVSTJZSA-N 2 2 329.488 2.283 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567888802 468230143 /nfs/dbraw/zinc/23/01/43/468230143.db2.gz RYGJJBPYYDGPAH-FQEVSTJZSA-N 2 2 329.488 2.283 10 0 EEAELP CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000520719203 468266841 /nfs/dbraw/zinc/26/68/41/468266841.db2.gz SJIVKLLPKGZMNG-OAHLLOKOSA-N 2 2 339.486 2.333 10 0 EEAELP CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000520719203 468266846 /nfs/dbraw/zinc/26/68/46/468266846.db2.gz SJIVKLLPKGZMNG-OAHLLOKOSA-N 2 2 339.486 2.333 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000594995236 468740228 /nfs/dbraw/zinc/74/02/28/468740228.db2.gz HFANPXABJLGHJU-FZMZJTMJSA-N 2 2 344.240 2.373 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000594995236 468740231 /nfs/dbraw/zinc/74/02/31/468740231.db2.gz HFANPXABJLGHJU-FZMZJTMJSA-N 2 2 344.240 2.373 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000571875319 468851717 /nfs/dbraw/zinc/85/17/17/468851717.db2.gz MFTZKDKEQFXLAH-KBPBESRZSA-N 2 2 332.366 2.129 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000571875319 468851722 /nfs/dbraw/zinc/85/17/22/468851722.db2.gz MFTZKDKEQFXLAH-KBPBESRZSA-N 2 2 332.366 2.129 10 0 EEAELP CC[NH+](CC)CCCNC(=O)C1CCN(c2nc(C)[nH+]cc2C)CC1 ZINC000584540377 468896424 /nfs/dbraw/zinc/89/64/24/468896424.db2.gz WRZDVYJULDNFFT-UHFFFAOYSA-N 2 2 347.507 2.158 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)s1 ZINC000595912926 469078348 /nfs/dbraw/zinc/07/83/48/469078348.db2.gz PKOMMPDAJSCXBY-GFCCVEGCSA-N 2 2 334.445 2.085 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)s1 ZINC000595912926 469078351 /nfs/dbraw/zinc/07/83/51/469078351.db2.gz PKOMMPDAJSCXBY-GFCCVEGCSA-N 2 2 334.445 2.085 10 0 EEAELP COC(=O)c1cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000599360288 469226689 /nfs/dbraw/zinc/22/66/89/469226689.db2.gz VQDSEPRRDQYAHX-ZIAGYGMSSA-N 2 2 332.448 2.006 10 0 EEAELP COC(=O)c1cnc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000599360288 469226691 /nfs/dbraw/zinc/22/66/91/469226691.db2.gz VQDSEPRRDQYAHX-ZIAGYGMSSA-N 2 2 332.448 2.006 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000618560648 469389832 /nfs/dbraw/zinc/38/98/32/469389832.db2.gz HISVXDBLYAVTAT-STISFXCESA-N 2 2 342.487 2.121 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000618560648 469389836 /nfs/dbraw/zinc/38/98/36/469389836.db2.gz HISVXDBLYAVTAT-STISFXCESA-N 2 2 342.487 2.121 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](C)CC13CCCCC3)CC2 ZINC000625938511 469441447 /nfs/dbraw/zinc/44/14/47/469441447.db2.gz MIUAZONWSLPQSD-INIZCTEOSA-N 2 2 330.476 2.231 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](C)CC13CCCCC3)CC2 ZINC000625938511 469441450 /nfs/dbraw/zinc/44/14/50/469441450.db2.gz MIUAZONWSLPQSD-INIZCTEOSA-N 2 2 330.476 2.231 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604165415 469460584 /nfs/dbraw/zinc/46/05/84/469460584.db2.gz DHFYTKBGRWTAMK-GFCCVEGCSA-N 2 2 333.823 2.024 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604165415 469460586 /nfs/dbraw/zinc/46/05/86/469460586.db2.gz DHFYTKBGRWTAMK-GFCCVEGCSA-N 2 2 333.823 2.024 10 0 EEAELP Cn1c(C[NH2+]CC2([NH3+])CCOCC2)nc2cc(C(F)(F)F)ccc21 ZINC000629388632 469529091 /nfs/dbraw/zinc/52/90/91/469529091.db2.gz QUUDZGJCJLHSCF-UHFFFAOYSA-N 2 2 342.365 2.190 10 0 EEAELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ncc(Br)cc1F ZINC000629519369 469572105 /nfs/dbraw/zinc/57/21/05/469572105.db2.gz FZMICCWDQMXHHV-VIFPVBQESA-N 2 2 332.217 2.142 10 0 EEAELP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1OCC(=O)N(C)C ZINC000629535631 469574770 /nfs/dbraw/zinc/57/47/70/469574770.db2.gz DSYSTUBGUQJHFO-UXLLHSPISA-N 2 2 333.476 2.335 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1(C)C ZINC000623341863 469630140 /nfs/dbraw/zinc/63/01/40/469630140.db2.gz VFFHPVDHQRYGKD-LJQANCHMSA-N 3 2 331.504 2.481 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1(C)C ZINC000623341863 469630141 /nfs/dbraw/zinc/63/01/41/469630141.db2.gz VFFHPVDHQRYGKD-LJQANCHMSA-N 2 2 331.504 2.481 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC1(C)C ZINC000623341863 469630142 /nfs/dbraw/zinc/63/01/42/469630142.db2.gz VFFHPVDHQRYGKD-LJQANCHMSA-N 2 2 331.504 2.481 10 0 EEAELP CC(C)C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623477647 469668365 /nfs/dbraw/zinc/66/83/65/469668365.db2.gz NGNVRSPTHBOQQO-QWHCGFSZSA-N 2 2 347.467 2.404 10 0 EEAELP CC(C)C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623477647 469668368 /nfs/dbraw/zinc/66/83/68/469668368.db2.gz NGNVRSPTHBOQQO-QWHCGFSZSA-N 2 2 347.467 2.404 10 0 EEAELP c1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)nc1 ZINC000613435731 469711653 /nfs/dbraw/zinc/71/16/53/469711653.db2.gz FAYHZKBTXHDJNO-UHFFFAOYSA-N 2 2 327.432 2.439 10 0 EEAELP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccco1 ZINC000607876278 469719172 /nfs/dbraw/zinc/71/91/72/469719172.db2.gz LKMGHJBCVUNAIM-INIZCTEOSA-N 2 2 333.476 2.450 10 0 EEAELP Cc1cc(F)cc2[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000617766473 469797246 /nfs/dbraw/zinc/79/72/46/469797246.db2.gz LSORTBVAEKSWIG-UHFFFAOYSA-N 2 2 334.439 2.229 10 0 EEAELP Cc1cc(F)cc2[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000617766473 469797249 /nfs/dbraw/zinc/79/72/49/469797249.db2.gz LSORTBVAEKSWIG-UHFFFAOYSA-N 2 2 334.439 2.229 10 0 EEAELP CCc1cccc2c(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c[nH]c21 ZINC000617766561 469797629 /nfs/dbraw/zinc/79/76/29/469797629.db2.gz PKQWSLWBXZSHKD-UHFFFAOYSA-N 2 2 344.503 2.273 10 0 EEAELP CCc1cccc2c(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c[nH]c21 ZINC000617766561 469797632 /nfs/dbraw/zinc/79/76/32/469797632.db2.gz PKQWSLWBXZSHKD-UHFFFAOYSA-N 2 2 344.503 2.273 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627204037 469843814 /nfs/dbraw/zinc/84/38/14/469843814.db2.gz AREBSKNIFMBARE-IIAWOOMASA-N 2 2 336.505 2.277 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621371645 470038703 /nfs/dbraw/zinc/03/87/03/470038703.db2.gz HVDNHKCQJQKLAM-IJEWVQPXSA-N 2 2 342.443 2.354 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621371645 470038706 /nfs/dbraw/zinc/03/87/06/470038706.db2.gz HVDNHKCQJQKLAM-IJEWVQPXSA-N 2 2 342.443 2.354 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC3CCC(F)(F)CC3)C2)CC1 ZINC000625521050 470159945 /nfs/dbraw/zinc/15/99/45/470159945.db2.gz DWRMSJAEAWKMKZ-HNNXBMFYSA-N 2 2 343.462 2.487 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC3CCC(F)(F)CC3)C2)CC1 ZINC000625521050 470159947 /nfs/dbraw/zinc/15/99/47/470159947.db2.gz DWRMSJAEAWKMKZ-HNNXBMFYSA-N 2 2 343.462 2.487 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633054866 470334826 /nfs/dbraw/zinc/33/48/26/470334826.db2.gz WFBFVFMKGVPHTL-SFHVURJKSA-N 2 2 326.444 2.405 10 0 EEAELP CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633054866 470334829 /nfs/dbraw/zinc/33/48/29/470334829.db2.gz WFBFVFMKGVPHTL-SFHVURJKSA-N 2 2 326.444 2.405 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000648766109 470339911 /nfs/dbraw/zinc/33/99/11/470339911.db2.gz BYRLSQHPZVTDIW-NSHDSACASA-N 2 2 343.353 2.472 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cn21 ZINC000645932245 470464435 /nfs/dbraw/zinc/46/44/35/470464435.db2.gz AEWBQBCNPWZWII-NVXWUHKLSA-N 2 2 343.475 2.309 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cn21 ZINC000645932245 470464441 /nfs/dbraw/zinc/46/44/41/470464441.db2.gz AEWBQBCNPWZWII-NVXWUHKLSA-N 2 2 343.475 2.309 10 0 EEAELP CC(=O)c1ccccc1OCC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102755 470526273 /nfs/dbraw/zinc/52/62/73/470526273.db2.gz PZNLOXMSHOEGRQ-UHFFFAOYSA-N 2 2 332.444 2.065 10 0 EEAELP CC(=O)c1ccccc1OCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102755 470526275 /nfs/dbraw/zinc/52/62/75/470526275.db2.gz PZNLOXMSHOEGRQ-UHFFFAOYSA-N 2 2 332.444 2.065 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)[nH+]c12 ZINC000649335871 470549839 /nfs/dbraw/zinc/54/98/39/470549839.db2.gz HDVXRBALJOQULS-UAGQMJEPSA-N 2 2 326.444 2.222 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)[nH+]c12 ZINC000649354036 470556056 /nfs/dbraw/zinc/55/60/56/470556056.db2.gz BXOPZJLIDBJCRH-WBVHZDCISA-N 2 2 326.444 2.176 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269584 470587215 /nfs/dbraw/zinc/58/72/15/470587215.db2.gz NHADFEWWGSQSBY-GDBMZVCRSA-N 2 2 325.815 2.093 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269584 470587220 /nfs/dbraw/zinc/58/72/20/470587220.db2.gz NHADFEWWGSQSBY-GDBMZVCRSA-N 2 2 325.815 2.093 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000650673988 470936975 /nfs/dbraw/zinc/93/69/75/470936975.db2.gz QGZVZJBDVUYNDJ-UHFFFAOYSA-N 2 2 335.496 2.039 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000650673988 470936976 /nfs/dbraw/zinc/93/69/76/470936976.db2.gz QGZVZJBDVUYNDJ-UHFFFAOYSA-N 2 2 335.496 2.039 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900396 471011159 /nfs/dbraw/zinc/01/11/59/471011159.db2.gz ANQWQZDRGWDMHP-HFTRVMKXSA-N 2 2 333.451 2.294 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900396 471011162 /nfs/dbraw/zinc/01/11/62/471011162.db2.gz ANQWQZDRGWDMHP-HFTRVMKXSA-N 2 2 333.451 2.294 10 0 EEAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901220 471012492 /nfs/dbraw/zinc/01/24/92/471012492.db2.gz LDNQLHGAVQQEDA-GVDBMIGSSA-N 2 2 348.491 2.944 10 0 EEAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901220 471012495 /nfs/dbraw/zinc/01/24/95/471012495.db2.gz LDNQLHGAVQQEDA-GVDBMIGSSA-N 2 2 348.491 2.944 10 0 EEAELP CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647904047 471013192 /nfs/dbraw/zinc/01/31/92/471013192.db2.gz VJLKLZILKCAZIG-WMLDXEAASA-N 2 2 335.517 2.391 10 0 EEAELP CCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647904047 471013196 /nfs/dbraw/zinc/01/31/96/471013196.db2.gz VJLKLZILKCAZIG-WMLDXEAASA-N 2 2 335.517 2.391 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957098 471026827 /nfs/dbraw/zinc/02/68/27/471026827.db2.gz NXTMCIVPJHJIIZ-IBGZPJMESA-N 2 2 333.451 2.250 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957098 471026831 /nfs/dbraw/zinc/02/68/31/471026831.db2.gz NXTMCIVPJHJIIZ-IBGZPJMESA-N 2 2 333.451 2.250 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000644784033 471039266 /nfs/dbraw/zinc/03/92/66/471039266.db2.gz YQYKNAWQAWJHPI-WOJBJXKFSA-N 2 2 332.488 2.228 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000644784033 471039268 /nfs/dbraw/zinc/03/92/68/471039268.db2.gz YQYKNAWQAWJHPI-WOJBJXKFSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000644784033 471039272 /nfs/dbraw/zinc/03/92/72/471039272.db2.gz YQYKNAWQAWJHPI-WOJBJXKFSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000644784033 471039276 /nfs/dbraw/zinc/03/92/76/471039276.db2.gz YQYKNAWQAWJHPI-WOJBJXKFSA-N 2 2 332.488 2.228 10 0 EEAELP CC[N@H+](CCCNC(=O)NCCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000651149185 471069405 /nfs/dbraw/zinc/06/94/05/471069405.db2.gz RWGWEROXJFKOKY-UHFFFAOYSA-N 2 2 335.496 2.307 10 0 EEAELP CC[N@@H+](CCCNC(=O)NCCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000651149185 471069411 /nfs/dbraw/zinc/06/94/11/471069411.db2.gz RWGWEROXJFKOKY-UHFFFAOYSA-N 2 2 335.496 2.307 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nccn3C(C)C)cn2)CC1 ZINC000657313487 471095167 /nfs/dbraw/zinc/09/51/67/471095167.db2.gz HUGHIAUSPVGNAA-UHFFFAOYSA-N 2 2 342.491 2.291 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1OCc2ccccc21 ZINC000654781835 471174580 /nfs/dbraw/zinc/17/45/80/471174580.db2.gz WDQIEVTXGCQHBP-LJQANCHMSA-N 2 2 345.487 2.132 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1OCc2ccccc21 ZINC000654781835 471174586 /nfs/dbraw/zinc/17/45/86/471174586.db2.gz WDQIEVTXGCQHBP-LJQANCHMSA-N 2 2 345.487 2.132 10 0 EEAELP Cc1ccc(CNc2nc(N)[nH+]c3c2CCCC3)c(N2CCCC2)[nH+]1 ZINC000645209814 471177354 /nfs/dbraw/zinc/17/73/54/471177354.db2.gz UZPBLWRLHGOYRO-UHFFFAOYSA-N 2 2 338.459 2.275 10 0 EEAELP CC[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370580 471280864 /nfs/dbraw/zinc/28/08/64/471280864.db2.gz DZLPIDMLYNDHQG-GVDBMIGSSA-N 2 2 336.524 2.375 10 0 EEAELP CC[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370580 471280865 /nfs/dbraw/zinc/28/08/65/471280865.db2.gz DZLPIDMLYNDHQG-GVDBMIGSSA-N 2 2 336.524 2.375 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCCOC1 ZINC000658345145 471291277 /nfs/dbraw/zinc/29/12/77/471291277.db2.gz ZLDNBWSBDZPIBT-YSIASYRMSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCCOC1 ZINC000658345145 471291279 /nfs/dbraw/zinc/29/12/79/471291279.db2.gz ZLDNBWSBDZPIBT-YSIASYRMSA-N 2 2 331.504 2.207 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000652617220 471314958 /nfs/dbraw/zinc/31/49/58/471314958.db2.gz ZUANNTCSYLIHHI-GFCCVEGCSA-N 2 2 325.376 2.366 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000655470503 471339545 /nfs/dbraw/zinc/33/95/45/471339545.db2.gz BDDDPQJAXGPJHI-UHEFJODHSA-N 2 2 349.425 2.216 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000655470503 471339547 /nfs/dbraw/zinc/33/95/47/471339547.db2.gz BDDDPQJAXGPJHI-UHEFJODHSA-N 2 2 349.425 2.216 10 0 EEAELP C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000655710141 471450603 /nfs/dbraw/zinc/45/06/03/471450603.db2.gz CRVZHOVPMHATDG-IAGOWNOFSA-N 3 2 334.533 2.467 10 0 EEAELP C[C@@H]1c2ccccc2CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660711454 471457215 /nfs/dbraw/zinc/45/72/15/471457215.db2.gz DUYPBABJPMIPQC-NVXWUHKLSA-N 2 2 342.487 2.441 10 0 EEAELP C[C@@H]1c2ccccc2CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660711454 471457222 /nfs/dbraw/zinc/45/72/22/471457222.db2.gz DUYPBABJPMIPQC-NVXWUHKLSA-N 2 2 342.487 2.441 10 0 EEAELP CCN(C(=O)NCc1cn2ccc(C)cc2[nH+]1)[C@@H]1CC[N@H+](CC)C1 ZINC000663771601 471510776 /nfs/dbraw/zinc/51/07/76/471510776.db2.gz MTEDOBMKDXUJIU-MRXNPFEDSA-N 2 2 329.448 2.268 10 0 EEAELP CCN(C(=O)NCc1cn2ccc(C)cc2[nH+]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663771601 471510777 /nfs/dbraw/zinc/51/07/77/471510777.db2.gz MTEDOBMKDXUJIU-MRXNPFEDSA-N 2 2 329.448 2.268 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000666728809 471512177 /nfs/dbraw/zinc/51/21/77/471512177.db2.gz AVURRGWZZQMZFA-UHFFFAOYSA-N 2 2 344.463 2.082 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000666728809 471512182 /nfs/dbraw/zinc/51/21/82/471512182.db2.gz AVURRGWZZQMZFA-UHFFFAOYSA-N 2 2 344.463 2.082 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000669544299 471543970 /nfs/dbraw/zinc/54/39/70/471543970.db2.gz YBXFQAKZGUXVCV-MQQKUOPWSA-N 2 2 340.830 2.038 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000669544299 471543974 /nfs/dbraw/zinc/54/39/74/471543974.db2.gz YBXFQAKZGUXVCV-MQQKUOPWSA-N 2 2 340.830 2.038 10 0 EEAELP Cc1cc(C)c(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000663856780 471551190 /nfs/dbraw/zinc/55/11/90/471551190.db2.gz AXJYHBDRKYDFFX-UHFFFAOYSA-N 2 2 334.508 2.295 10 0 EEAELP Cc1cc(C)c(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000663856780 471551197 /nfs/dbraw/zinc/55/11/97/471551197.db2.gz AXJYHBDRKYDFFX-UHFFFAOYSA-N 2 2 334.508 2.295 10 0 EEAELP Cc1occc1-c1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)no1 ZINC000666909683 471582301 /nfs/dbraw/zinc/58/23/01/471582301.db2.gz JLBQNNRUZMUAJX-UHFFFAOYSA-N 2 2 349.435 2.248 10 0 EEAELP Cc1occc1-c1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)no1 ZINC000666909683 471582304 /nfs/dbraw/zinc/58/23/04/471582304.db2.gz JLBQNNRUZMUAJX-UHFFFAOYSA-N 2 2 349.435 2.248 10 0 EEAELP COc1c(C)[nH+]cnc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000656155886 471610285 /nfs/dbraw/zinc/61/02/85/471610285.db2.gz IBSZYSKARBVMIA-KRWDZBQOSA-N 2 2 342.443 2.362 10 0 EEAELP COc1c(C)[nH+]cnc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000656155886 471610288 /nfs/dbraw/zinc/61/02/88/471610288.db2.gz IBSZYSKARBVMIA-KRWDZBQOSA-N 2 2 342.443 2.362 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1[nH+]ccn1C ZINC000661192558 471663130 /nfs/dbraw/zinc/66/31/30/471663130.db2.gz FGZJKMFQOWTXPX-UXLLHSPISA-N 2 2 341.459 2.443 10 0 EEAELP CCS(=O)(=O)c1ccccc1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664195174 471671988 /nfs/dbraw/zinc/67/19/88/471671988.db2.gz KLWUNSDCGTWCJN-HNNXBMFYSA-N 2 2 341.521 2.164 10 0 EEAELP CCS(=O)(=O)c1ccccc1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664195174 471671993 /nfs/dbraw/zinc/67/19/93/471671993.db2.gz KLWUNSDCGTWCJN-HNNXBMFYSA-N 2 2 341.521 2.164 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667250055 471709328 /nfs/dbraw/zinc/70/93/28/471709328.db2.gz GRQCKGLVIVAOLY-WBVHZDCISA-N 2 2 341.459 2.049 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667250055 471709334 /nfs/dbraw/zinc/70/93/34/471709334.db2.gz GRQCKGLVIVAOLY-WBVHZDCISA-N 2 2 341.459 2.049 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000656540105 471752442 /nfs/dbraw/zinc/75/24/42/471752442.db2.gz DEEVVVUJCDTMQX-INIZCTEOSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000656540105 471752446 /nfs/dbraw/zinc/75/24/46/471752446.db2.gz DEEVVVUJCDTMQX-INIZCTEOSA-N 2 2 345.491 2.355 10 0 EEAELP CCC[N@H+](CCc1c[nH]nn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074395 471850687 /nfs/dbraw/zinc/85/06/87/471850687.db2.gz PJZHNYDJLZSVAQ-UHFFFAOYSA-N 2 2 343.479 2.135 10 0 EEAELP CCC[N@@H+](CCc1c[nH]nn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074395 471850694 /nfs/dbraw/zinc/85/06/94/471850694.db2.gz PJZHNYDJLZSVAQ-UHFFFAOYSA-N 2 2 343.479 2.135 10 0 EEAELP CCC[N@H+](CCc1cn[nH]n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074395 471850696 /nfs/dbraw/zinc/85/06/96/471850696.db2.gz PJZHNYDJLZSVAQ-UHFFFAOYSA-N 2 2 343.479 2.135 10 0 EEAELP CCC[N@@H+](CCc1cn[nH]n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000660074395 471850701 /nfs/dbraw/zinc/85/07/01/471850701.db2.gz PJZHNYDJLZSVAQ-UHFFFAOYSA-N 2 2 343.479 2.135 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000654359282 471926555 /nfs/dbraw/zinc/92/65/55/471926555.db2.gz ZMZCIGZAHCPQKS-UAGQMJEPSA-N 2 2 341.459 2.149 10 0 EEAELP CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668149136 472027980 /nfs/dbraw/zinc/02/79/80/472027980.db2.gz KOCGRWMKPIFUQB-UHFFFAOYSA-N 2 2 341.459 2.492 10 0 EEAELP CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000668149136 472027985 /nfs/dbraw/zinc/02/79/85/472027985.db2.gz KOCGRWMKPIFUQB-UHFFFAOYSA-N 2 2 341.459 2.492 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317511 472067562 /nfs/dbraw/zinc/06/75/62/472067562.db2.gz QQCJDDBFLCMDGC-KSZLIROESA-N 2 2 339.524 2.209 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317511 472067568 /nfs/dbraw/zinc/06/75/68/472067568.db2.gz QQCJDDBFLCMDGC-KSZLIROESA-N 2 2 339.524 2.209 10 0 EEAELP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(C)C ZINC000662318597 472068100 /nfs/dbraw/zinc/06/81/00/472068100.db2.gz CGNCTJYQYQIKOX-SJORKVTESA-N 2 2 327.513 2.063 10 0 EEAELP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(C)C ZINC000662318597 472068101 /nfs/dbraw/zinc/06/81/01/472068101.db2.gz CGNCTJYQYQIKOX-SJORKVTESA-N 2 2 327.513 2.063 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662590595 472167991 /nfs/dbraw/zinc/16/79/91/472167991.db2.gz BYGWHUYWDZPFAM-INIZCTEOSA-N 2 2 339.443 2.119 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2scnc2c1 ZINC000665926875 472242440 /nfs/dbraw/zinc/24/24/40/472242440.db2.gz WDROHKQURDEISV-UHFFFAOYSA-N 2 2 335.477 2.301 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2scnc2c1 ZINC000665926875 472242447 /nfs/dbraw/zinc/24/24/47/472242447.db2.gz WDROHKQURDEISV-UHFFFAOYSA-N 2 2 335.477 2.301 10 0 EEAELP CCOCc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1OC ZINC000668741740 472249664 /nfs/dbraw/zinc/24/96/64/472249664.db2.gz ZOXDHMOXNDSPAV-LJQANCHMSA-N 2 2 348.487 2.263 10 0 EEAELP CCOCc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1OC ZINC000668741740 472249669 /nfs/dbraw/zinc/24/96/69/472249669.db2.gz ZOXDHMOXNDSPAV-LJQANCHMSA-N 2 2 348.487 2.263 10 0 EEAELP CCOc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1OC ZINC000668741571 472250112 /nfs/dbraw/zinc/25/01/12/472250112.db2.gz UXPYPQSBSUGLPM-KRWDZBQOSA-N 2 2 334.460 2.125 10 0 EEAELP CCOc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1OC ZINC000668741571 472250117 /nfs/dbraw/zinc/25/01/17/472250117.db2.gz UXPYPQSBSUGLPM-KRWDZBQOSA-N 2 2 334.460 2.125 10 0 EEAELP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@](C)(C(F)F)C2)cc1 ZINC000668825627 472286609 /nfs/dbraw/zinc/28/66/09/472286609.db2.gz PNFGZLYUEMECOD-KRWDZBQOSA-N 2 2 328.403 2.483 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000680495211 485984461 /nfs/dbraw/zinc/98/44/61/485984461.db2.gz OFPXJZZRYUXYPC-UHFFFAOYSA-N 2 2 329.448 2.025 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000676153954 486155214 /nfs/dbraw/zinc/15/52/14/486155214.db2.gz IQTJRNCTUDIOEH-KBPBESRZSA-N 2 2 344.450 2.032 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000676153954 486155221 /nfs/dbraw/zinc/15/52/21/486155221.db2.gz IQTJRNCTUDIOEH-KBPBESRZSA-N 2 2 344.450 2.032 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000682364863 486457157 /nfs/dbraw/zinc/45/71/57/486457157.db2.gz ZEYRBSMZMXFLEX-UHFFFAOYSA-N 2 2 346.862 2.491 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000682364863 486457161 /nfs/dbraw/zinc/45/71/61/486457161.db2.gz ZEYRBSMZMXFLEX-UHFFFAOYSA-N 2 2 346.862 2.491 10 0 EEAELP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[N@H+](CCO)C1 ZINC000395146161 576096329 /nfs/dbraw/zinc/09/63/29/576096329.db2.gz LHUNCMWYRWOGKE-HNNXBMFYSA-N 2 2 327.266 2.304 10 0 EEAELP Cc1cc(Br)ccc1C[NH2+][C@H]1CCC[N@@H+](CCO)C1 ZINC000395146161 576096331 /nfs/dbraw/zinc/09/63/31/576096331.db2.gz LHUNCMWYRWOGKE-HNNXBMFYSA-N 2 2 327.266 2.304 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)c3ccnn3C)c2cc1C ZINC000774246093 577391557 /nfs/dbraw/zinc/39/15/57/577391557.db2.gz XHGIPIHRNZHOCS-HUUCEWRRSA-N 2 2 327.432 2.098 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 ZINC000926017439 675638088 /nfs/dbraw/zinc/63/80/88/675638088.db2.gz FTOWCIGYZFUKCY-UHFFFAOYSA-N 2 2 348.344 2.389 10 0 EEAELP COC(=O)[C@H]1[C@@H](C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)C1(F)F ZINC000894581167 682980601 /nfs/dbraw/zinc/98/06/01/682980601.db2.gz KOUOLSQIBMUUIL-UKRRQHHQSA-N 2 2 340.370 2.288 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]3CCC4(CCC4)O3)CC2)CC1 ZINC000896004947 684800765 /nfs/dbraw/zinc/80/07/65/684800765.db2.gz UOWVHPGGAMGMGE-GOSISDBHSA-N 2 2 349.519 2.153 10 0 EEAELP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[C@@H]1c1cccs1 ZINC000263242344 689556058 /nfs/dbraw/zinc/55/60/58/689556058.db2.gz OTOAMIFBJUCMLI-MBNYWOFBSA-N 2 2 343.443 2.244 10 0 EEAELP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[C@@H]1c1cccs1 ZINC000263242344 689556062 /nfs/dbraw/zinc/55/60/62/689556062.db2.gz OTOAMIFBJUCMLI-MBNYWOFBSA-N 2 2 343.443 2.244 10 0 EEAELP C[NH+](C)[C@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000093290715 692778316 /nfs/dbraw/zinc/77/83/16/692778316.db2.gz UQOBYMGTFKYGRH-SJORKVTESA-N 2 2 345.491 2.354 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925332636 692857047 /nfs/dbraw/zinc/85/70/47/692857047.db2.gz PZNSSDZTOOETKT-IIAWOOMASA-N 2 2 336.505 2.229 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000898488146 693345517 /nfs/dbraw/zinc/34/55/17/693345517.db2.gz DDGTXCUKVIQNMG-ZWKOTPCHSA-N 2 2 333.451 2.201 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000898488146 693345520 /nfs/dbraw/zinc/34/55/20/693345520.db2.gz DDGTXCUKVIQNMG-ZWKOTPCHSA-N 2 2 333.451 2.201 10 0 EEAELP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000898488146 693345524 /nfs/dbraw/zinc/34/55/24/693345524.db2.gz DDGTXCUKVIQNMG-ZWKOTPCHSA-N 2 2 333.451 2.201 10 0 EEAELP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000898488146 693345528 /nfs/dbraw/zinc/34/55/28/693345528.db2.gz DDGTXCUKVIQNMG-ZWKOTPCHSA-N 2 2 333.451 2.201 10 0 EEAELP CCc1nc(C)c(C[N@H+](C)CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)o1 ZINC001480879637 1176679183 /nfs/dbraw/zinc/67/91/83/1176679183.db2.gz MDFNNZNIBFBDBA-HOTGVXAUSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1nc(C)c(C[N@@H+](C)CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)o1 ZINC001480879637 1176679191 /nfs/dbraw/zinc/67/91/91/1176679191.db2.gz MDFNNZNIBFBDBA-HOTGVXAUSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1nc(C)c(C[NH+](C)CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)o1 ZINC001480879637 1176679199 /nfs/dbraw/zinc/67/91/99/1176679199.db2.gz MDFNNZNIBFBDBA-HOTGVXAUSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1nc(C)c(C[NH+](C)CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)o1 ZINC001480879637 1176679205 /nfs/dbraw/zinc/67/92/05/1176679205.db2.gz MDFNNZNIBFBDBA-HOTGVXAUSA-N 2 2 348.491 2.110 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CCCCC(F)(F)F ZINC001670672943 1176987579 /nfs/dbraw/zinc/98/75/79/1176987579.db2.gz SJNHUOWBNJZKBC-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CCCCC(F)(F)F ZINC001670672943 1176987584 /nfs/dbraw/zinc/98/75/84/1176987584.db2.gz SJNHUOWBNJZKBC-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC001670735097 1178157338 /nfs/dbraw/zinc/15/73/38/1178157338.db2.gz SKUMAUUXONZNPK-LJQANCHMSA-N 2 2 334.423 2.427 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1ccc2ccccc2c1 ZINC001670735097 1178157343 /nfs/dbraw/zinc/15/73/43/1178157343.db2.gz SKUMAUUXONZNPK-LJQANCHMSA-N 2 2 334.423 2.427 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]Cc3csc(C)n3)ccn12 ZINC001267373281 1178883752 /nfs/dbraw/zinc/88/37/52/1178883752.db2.gz SRAWJJDPCZFZRL-UHFFFAOYSA-N 2 2 343.456 2.269 10 0 EEAELP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001267388323 1178950908 /nfs/dbraw/zinc/95/09/08/1178950908.db2.gz VSOMCURLZLTBJZ-QGZVFWFLSA-N 2 2 347.463 2.323 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)CCc1[nH+]ccn1C ZINC001267407030 1178980050 /nfs/dbraw/zinc/98/00/50/1178980050.db2.gz JWDSSXNXJPSAMP-UHFFFAOYSA-N 2 2 340.880 2.316 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)CC=C(Cl)Cl)CC[N@@H+]1C ZINC001480975938 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GRECLHZFTMTCHX-LSDHHAIUSA-N 2 2 344.434 2.366 10 0 EEAELP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125132 1179828062 /nfs/dbraw/zinc/82/80/62/1179828062.db2.gz AAWUAANPYQOOME-GJZGRUSLSA-N 2 2 330.407 2.222 10 0 EEAELP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125132 1179828070 /nfs/dbraw/zinc/82/80/70/1179828070.db2.gz AAWUAANPYQOOME-GJZGRUSLSA-N 2 2 330.407 2.222 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]C[C@@H]3CCO[C@@H](C)C3)ccn12 ZINC001481230044 1180364594 /nfs/dbraw/zinc/36/45/94/1180364594.db2.gz DELUVIWBHXJRPH-JKSUJKDBSA-N 2 2 344.459 2.119 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001481558847 1181718471 /nfs/dbraw/zinc/71/84/71/1181718471.db2.gz DQTCUWOQUWARSL-WBVHZDCISA-N 2 2 348.491 2.156 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001481673962 1182193499 /nfs/dbraw/zinc/19/34/99/1182193499.db2.gz GNUPBRFRUKBAEL-CSLAMCDYSA-N 2 2 330.476 2.384 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001481673962 1182193501 /nfs/dbraw/zinc/19/35/01/1182193501.db2.gz GNUPBRFRUKBAEL-CSLAMCDYSA-N 2 2 330.476 2.384 10 0 EEAELP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268406750 1182525922 /nfs/dbraw/zinc/52/59/22/1182525922.db2.gz YWLOEDPMTZBSOI-FVQBIDKESA-N 2 2 332.492 2.444 10 0 EEAELP Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268416373 1182575627 /nfs/dbraw/zinc/57/56/27/1182575627.db2.gz UNVDODWYAXWEOT-INIZCTEOSA-N 2 2 328.460 2.264 10 0 EEAELP C[C@@H]1CCCC[C@]1(C[NH2+]Cc1nccs1)NC(=O)Cn1cc[nH+]c1 ZINC001481965478 1183046924 /nfs/dbraw/zinc/04/69/24/1183046924.db2.gz XZLBTSFCIPRIBF-RHSMWYFYSA-N 2 2 347.488 2.195 10 0 EEAELP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001482018111 1183138246 /nfs/dbraw/zinc/13/82/46/1183138246.db2.gz LJJSMONQKOHMRX-QKPAOTATSA-N 2 2 336.455 2.211 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268549525 1183232074 /nfs/dbraw/zinc/23/20/74/1183232074.db2.gz YNLPYVAWFZQWJK-UPHRSURJSA-N 2 2 338.455 2.293 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268549525 1183232078 /nfs/dbraw/zinc/23/20/78/1183232078.db2.gz YNLPYVAWFZQWJK-UPHRSURJSA-N 2 2 338.455 2.293 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(F)(F)C(F)F ZINC001482173109 1183500174 /nfs/dbraw/zinc/50/01/74/1183500174.db2.gz FXGOKNAZICWSOD-VXGBXAGGSA-N 2 2 341.393 2.103 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC(F)(F)C(F)F ZINC001482173109 1183500177 /nfs/dbraw/zinc/50/01/77/1183500177.db2.gz FXGOKNAZICWSOD-VXGBXAGGSA-N 2 2 341.393 2.103 10 0 EEAELP COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268757846 1183672579 /nfs/dbraw/zinc/67/25/79/1183672579.db2.gz FAFVGZJGWHQGLM-IRXDYDNUSA-N 2 2 344.459 2.167 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001691508767 1185372860 /nfs/dbraw/zinc/37/28/60/1185372860.db2.gz DWIFJIZCUAHHGX-WKILWMFISA-N 2 2 344.459 2.247 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1nccs1 ZINC001691510478 1185559794 /nfs/dbraw/zinc/55/97/94/1185559794.db2.gz MIDNNDBPHSQZHY-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1nccs1 ZINC001691510478 1185559799 /nfs/dbraw/zinc/55/97/99/1185559799.db2.gz MIDNNDBPHSQZHY-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482841923 1187760675 /nfs/dbraw/zinc/76/06/75/1187760675.db2.gz QJFPOMRUOPNMNT-MRVWCRGKSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482841923 1187760679 /nfs/dbraw/zinc/76/06/79/1187760679.db2.gz QJFPOMRUOPNMNT-MRVWCRGKSA-N 2 2 348.397 2.476 10 0 EEAELP CCN(CC[NH2+]Cc1nccs1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001482953256 1187880013 /nfs/dbraw/zinc/88/00/13/1187880013.db2.gz MMJWPPYWGASNKE-UHFFFAOYSA-N 2 2 335.477 2.101 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001483046500 1188258196 /nfs/dbraw/zinc/25/81/96/1188258196.db2.gz RSFNKMTWFLMIPQ-UPHRSURJSA-N 2 2 337.427 2.217 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)oc1C ZINC001483070859 1188419541 /nfs/dbraw/zinc/41/95/41/1188419541.db2.gz SPBPGOCMJDCPJF-TUYSUELWSA-N 2 2 348.491 2.316 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)oc1C ZINC001483070859 1188419544 /nfs/dbraw/zinc/41/95/44/1188419544.db2.gz SPBPGOCMJDCPJF-TUYSUELWSA-N 2 2 348.491 2.316 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001483079991 1188441205 /nfs/dbraw/zinc/44/12/05/1188441205.db2.gz ZZOBWQQZUQWPOB-DWTRPJMMSA-N 2 2 334.464 2.038 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC001483100963 1188477998 /nfs/dbraw/zinc/47/79/98/1188477998.db2.gz RHRCWKDMNPDWNL-IBUXWKBASA-N 2 2 334.370 2.185 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483145002 1188769061 /nfs/dbraw/zinc/76/90/61/1188769061.db2.gz TYYPTGKENQYRCQ-HUUCEWRRSA-N 2 2 344.434 2.188 10 0 EEAELP CCc1cnc(C[NH2+]CC[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001272866366 1193583821 /nfs/dbraw/zinc/58/38/21/1193583821.db2.gz WATDMZOBWSWBMA-LBPRGKRZSA-N 2 2 341.415 2.412 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1 ZINC001485890096 1193630988 /nfs/dbraw/zinc/63/09/88/1193630988.db2.gz BCMPFQIVICYHRJ-WBVHZDCISA-N 2 2 326.444 2.082 10 0 EEAELP CCc1ccccc1CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001409428805 1189664303 /nfs/dbraw/zinc/66/43/03/1189664303.db2.gz ZCYXCIGWCDFXOZ-HOTGVXAUSA-N 2 2 342.487 2.251 10 0 EEAELP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@H+](C)CC1CCCC1 ZINC001409563629 1190039239 /nfs/dbraw/zinc/03/92/39/1190039239.db2.gz GBCQTDVANWSSAL-OAHLLOKOSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@@H+](C)CC1CCCC1 ZINC001409563629 1190039241 /nfs/dbraw/zinc/03/92/41/1190039241.db2.gz GBCQTDVANWSSAL-OAHLLOKOSA-N 2 2 332.492 2.389 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)o1 ZINC001483258453 1190287227 /nfs/dbraw/zinc/28/72/27/1190287227.db2.gz QFPPXYKLXWFMLH-WMLDXEAASA-N 2 2 348.491 2.374 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)o1 ZINC001483258453 1190287231 /nfs/dbraw/zinc/28/72/31/1190287231.db2.gz QFPPXYKLXWFMLH-WMLDXEAASA-N 2 2 348.491 2.374 10 0 EEAELP O=C(NC[C@@H](O)C[NH2+]CCC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001272453048 1190828701 /nfs/dbraw/zinc/82/87/01/1190828701.db2.gz KGKRFBHLRDRUKB-INIZCTEOSA-N 2 2 342.443 2.134 10 0 EEAELP C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(Cl)nc2)CC1)n1cc[nH+]c1 ZINC001483771888 1191007031 /nfs/dbraw/zinc/00/70/31/1191007031.db2.gz PTCNHFJLAFDHIR-CYBMUJFWSA-N 2 2 347.850 2.321 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001484053777 1191177666 /nfs/dbraw/zinc/17/76/66/1191177666.db2.gz HUDUBJRNYYYQGA-MJGOQNOKSA-N 2 2 348.491 2.059 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001484053777 1191177667 /nfs/dbraw/zinc/17/76/67/1191177667.db2.gz HUDUBJRNYYYQGA-MJGOQNOKSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001484066977 1191187196 /nfs/dbraw/zinc/18/71/96/1191187196.db2.gz GHFHLWAOIKAXGD-XJKSGUPXSA-N 2 2 340.418 2.277 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001484066977 1191187198 /nfs/dbraw/zinc/18/71/98/1191187198.db2.gz GHFHLWAOIKAXGD-XJKSGUPXSA-N 2 2 340.418 2.277 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484163307 1191251137 /nfs/dbraw/zinc/25/11/37/1191251137.db2.gz JNDVCHBMTOZVCW-APWZRJJASA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484163307 1191251139 /nfs/dbraw/zinc/25/11/39/1191251139.db2.gz JNDVCHBMTOZVCW-APWZRJJASA-N 2 2 332.492 2.320 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]CCCc2ccccc2)C1 ZINC001484543336 1191403173 /nfs/dbraw/zinc/40/31/73/1191403173.db2.gz KXIRARUNDCGRKC-GOSISDBHSA-N 2 2 340.471 2.413 10 0 EEAELP CCC1([NH2+]CC[C@@H]2CCCCO2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001484817150 1191538515 /nfs/dbraw/zinc/53/85/15/1191538515.db2.gz XYKCQQDIQLSQJY-KRWDZBQOSA-N 2 2 348.491 2.272 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC001484906054 1191569932 /nfs/dbraw/zinc/56/99/32/1191569932.db2.gz VWMDWRLEGFWTKF-PBHICJAKSA-N 2 2 344.434 2.161 10 0 EEAELP Cc1oncc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485163968 1191675595 /nfs/dbraw/zinc/67/55/95/1191675595.db2.gz QWDDZVFXDLFVSQ-MNOVXSKESA-N 2 2 327.388 2.156 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001485235429 1191701137 /nfs/dbraw/zinc/70/11/37/1191701137.db2.gz WYOGEZILIXUMPY-HYMNUWHNSA-N 2 2 326.444 2.469 10 0 EEAELP CC(C)[C@H](CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCCF ZINC001485434213 1191783602 /nfs/dbraw/zinc/78/36/02/1191783602.db2.gz KHWOOHMHMQKOJT-RDJZCZTQSA-N 2 2 338.471 2.268 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C(F)(F)F ZINC001486254547 1193781902 /nfs/dbraw/zinc/78/19/02/1193781902.db2.gz VAQVFDJVZBGBPE-STQMWFEESA-N 2 2 344.381 2.145 10 0 EEAELP CCOCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001691690471 1197507795 /nfs/dbraw/zinc/50/77/95/1197507795.db2.gz RWJZVUXPXZCDJO-KRWDZBQOSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001410125733 1197558221 /nfs/dbraw/zinc/55/82/21/1197558221.db2.gz RSRAQAXBLNDMKA-OSYLJGHBSA-N 2 2 330.476 2.135 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001410125733 1197558223 /nfs/dbraw/zinc/55/82/23/1197558223.db2.gz RSRAQAXBLNDMKA-OSYLJGHBSA-N 2 2 330.476 2.135 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001273212487 1197559645 /nfs/dbraw/zinc/55/96/45/1197559645.db2.gz MQGWLCWEQVYZOF-LBPRGKRZSA-N 2 2 338.814 2.360 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC001410378006 1197772590 /nfs/dbraw/zinc/77/25/90/1197772590.db2.gz LCMMJBOHTRGZEQ-ZIAGYGMSSA-N 2 2 347.463 2.330 10 0 EEAELP CC1(C)[C@@H]([NH3+])C[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000871783262 1197900535 /nfs/dbraw/zinc/90/05/35/1197900535.db2.gz PIUHHJKHBXGLSC-CVEARBPZSA-N 2 2 342.443 2.410 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C)o1 ZINC001411208254 1198913458 /nfs/dbraw/zinc/91/34/58/1198913458.db2.gz KLCFLLYFHFGUJI-CABCVRRESA-N 2 2 336.480 2.088 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C)o1 ZINC001411208254 1198913460 /nfs/dbraw/zinc/91/34/60/1198913460.db2.gz KLCFLLYFHFGUJI-CABCVRRESA-N 2 2 336.480 2.088 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001411233881 1198944950 /nfs/dbraw/zinc/94/49/50/1198944950.db2.gz IYBYJPGVYOBNNP-LLVKDONJSA-N 2 2 346.397 2.430 10 0 EEAELP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCCCCC[NH3+])C2)c1 ZINC000870977979 1200986334 /nfs/dbraw/zinc/98/63/34/1200986334.db2.gz NUKQXNHPHWWMPS-IBGZPJMESA-N 2 2 347.503 2.221 10 0 EEAELP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CCCCCC[NH3+])C2)c1 ZINC000870977979 1200986338 /nfs/dbraw/zinc/98/63/38/1200986338.db2.gz NUKQXNHPHWWMPS-IBGZPJMESA-N 2 2 347.503 2.221 10 0 EEAELP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866259473 1201478271 /nfs/dbraw/zinc/47/82/71/1201478271.db2.gz MXCJBLQWFOBZSW-IEBWSBKVSA-N 2 2 335.467 2.321 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866340603 1201496091 /nfs/dbraw/zinc/49/60/91/1201496091.db2.gz SUSJIGXSMVXGIH-UXHICEINSA-N 2 2 325.456 2.412 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866340603 1201496092 /nfs/dbraw/zinc/49/60/92/1201496092.db2.gz SUSJIGXSMVXGIH-UXHICEINSA-N 2 2 325.456 2.412 10 0 EEAELP Cn1cc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(Br)n1 ZINC000866707806 1201586131 /nfs/dbraw/zinc/58/61/31/1201586131.db2.gz KFWGPMAUWXWRIC-CQSZACIVSA-N 2 2 329.286 2.380 10 0 EEAELP Cn1cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c(Br)n1 ZINC000866707806 1201586136 /nfs/dbraw/zinc/58/61/36/1201586136.db2.gz KFWGPMAUWXWRIC-CQSZACIVSA-N 2 2 329.286 2.380 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCN(C)c3ncccc3C2)cc1 ZINC000866726853 1201590695 /nfs/dbraw/zinc/59/06/95/1201590695.db2.gz APYWQJPLKWVSBZ-QGZVFWFLSA-N 2 2 326.444 2.085 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCN(C)c3ncccc3C2)cc1 ZINC000866726853 1201590698 /nfs/dbraw/zinc/59/06/98/1201590698.db2.gz APYWQJPLKWVSBZ-QGZVFWFLSA-N 2 2 326.444 2.085 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ncoc2C(C)C)CC[N@@H+]1C ZINC001274034853 1204338896 /nfs/dbraw/zinc/33/88/96/1204338896.db2.gz IOBRRWWAZPHAMI-RWGIFROESA-N 2 2 348.491 2.290 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ncoc2C(C)C)CC[N@H+]1C ZINC001274034853 1204338898 /nfs/dbraw/zinc/33/88/98/1204338898.db2.gz IOBRRWWAZPHAMI-RWGIFROESA-N 2 2 348.491 2.290 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001274124020 1204390155 /nfs/dbraw/zinc/39/01/55/1204390155.db2.gz BNLOAYAEKGUUJM-VIOGHGGCSA-N 2 2 342.443 2.254 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1F ZINC001274537126 1205071335 /nfs/dbraw/zinc/07/13/35/1205071335.db2.gz YHYMJKJNWKWGAS-URWSZGRFSA-N 2 2 330.407 2.423 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)oc1C ZINC001274611653 1205098059 /nfs/dbraw/zinc/09/80/59/1205098059.db2.gz VPRJNHMQWZUHCA-XFHJGTJQSA-N 2 2 348.491 2.174 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001276040855 1205744001 /nfs/dbraw/zinc/74/40/01/1205744001.db2.gz IONQYLNGXVVNGZ-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001276040855 1205744002 /nfs/dbraw/zinc/74/40/02/1205744002.db2.gz IONQYLNGXVVNGZ-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c2c(c1)OCCO2 ZINC000925512840 1206121557 /nfs/dbraw/zinc/12/15/57/1206121557.db2.gz GEYNIJISIYPKEL-UKRRQHHQSA-N 2 2 338.835 2.019 10 0 EEAELP Cc1cccc([C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)N2CCOCC2)c1 ZINC000925539717 1206124777 /nfs/dbraw/zinc/12/47/77/1206124777.db2.gz KVTLOVSMXPEYHB-MOPGFXCFSA-N 2 2 329.488 2.243 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COc1ccc(C(F)(F)F)cc1 ZINC000925567943 1206129563 /nfs/dbraw/zinc/12/95/63/1206129563.db2.gz MKXYIQPTCRZVTF-UKRRQHHQSA-N 2 2 344.377 2.319 10 0 EEAELP C[C@@H](NCc1cc(N)cc[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000925772695 1206152463 /nfs/dbraw/zinc/15/24/63/1206152463.db2.gz VPTHCFXQFVRTOY-DNVCBOLYSA-N 2 2 326.444 2.043 10 0 EEAELP C[C@@H](NCc1cc(N)cc[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000925772695 1206152465 /nfs/dbraw/zinc/15/24/65/1206152465.db2.gz VPTHCFXQFVRTOY-DNVCBOLYSA-N 2 2 326.444 2.043 10 0 EEAELP CCCOc1cc(C)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000925957131 1206174593 /nfs/dbraw/zinc/17/45/93/1206174593.db2.gz WHSFUIOIPTUXQZ-UHFFFAOYSA-N 2 2 334.464 2.328 10 0 EEAELP C[C@H](c1cccc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000926018456 1206182508 /nfs/dbraw/zinc/18/25/08/1206182508.db2.gz LROYUKZROOYVNP-PBHICJAKSA-N 2 2 346.475 2.281 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCC=CCC1 ZINC000927716684 1206294597 /nfs/dbraw/zinc/29/45/97/1206294597.db2.gz ZDEMMHVAWZGNLJ-UHFFFAOYSA-N 2 2 336.524 2.400 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1CCC=CCC1 ZINC000927716684 1206294599 /nfs/dbraw/zinc/29/45/99/1206294599.db2.gz ZDEMMHVAWZGNLJ-UHFFFAOYSA-N 2 2 336.524 2.400 10 0 EEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929813511 1206504662 /nfs/dbraw/zinc/50/46/62/1206504662.db2.gz KXKNXZSGXHIJER-FUMNGEBKSA-N 2 2 332.488 2.420 10 0 EEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929813511 1206504664 /nfs/dbraw/zinc/50/46/64/1206504664.db2.gz KXKNXZSGXHIJER-FUMNGEBKSA-N 2 2 332.488 2.420 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929813511 1206504666 /nfs/dbraw/zinc/50/46/66/1206504666.db2.gz KXKNXZSGXHIJER-FUMNGEBKSA-N 2 2 332.488 2.420 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000929813511 1206504668 /nfs/dbraw/zinc/50/46/68/1206504668.db2.gz KXKNXZSGXHIJER-FUMNGEBKSA-N 2 2 332.488 2.420 10 0 EEAELP Cc1cccc(C)c1OC[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310281 1206623594 /nfs/dbraw/zinc/62/35/94/1206623594.db2.gz XUMYKHUFZVNCJG-MISYRCLQSA-N 2 2 332.488 2.317 10 0 EEAELP Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)cn2cc[nH+]c12 ZINC000931553361 1207411498 /nfs/dbraw/zinc/41/14/98/1207411498.db2.gz CLPQYDQYRJKNPR-CABCVRRESA-N 2 2 345.472 2.344 10 0 EEAELP Cc1cc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)cn2cc[nH+]c12 ZINC000931553361 1207411501 /nfs/dbraw/zinc/41/15/01/1207411501.db2.gz CLPQYDQYRJKNPR-CABCVRRESA-N 2 2 345.472 2.344 10 0 EEAELP COC(=O)C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000932103371 1207537164 /nfs/dbraw/zinc/53/71/64/1207537164.db2.gz VZMFKSTUEIMPHP-VQIMIIECSA-N 2 2 346.471 2.150 10 0 EEAELP COC(=O)C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C ZINC000932103371 1207537166 /nfs/dbraw/zinc/53/71/66/1207537166.db2.gz VZMFKSTUEIMPHP-VQIMIIECSA-N 2 2 346.471 2.150 10 0 EEAELP COCC(COC)[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413048649 1218058850 /nfs/dbraw/zinc/05/88/50/1218058850.db2.gz WCXQHZFIUORAHH-BGYRXZFFSA-N 2 2 332.488 2.492 10 0 EEAELP COCC(COC)[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413048649 1218058855 /nfs/dbraw/zinc/05/88/55/1218058855.db2.gz WCXQHZFIUORAHH-BGYRXZFFSA-N 2 2 332.488 2.492 10 0 EEAELP COCC(COC)[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413048649 1218058858 /nfs/dbraw/zinc/05/88/58/1218058858.db2.gz WCXQHZFIUORAHH-BGYRXZFFSA-N 2 2 332.488 2.492 10 0 EEAELP COCC(COC)[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413048649 1218058863 /nfs/dbraw/zinc/05/88/63/1218058863.db2.gz WCXQHZFIUORAHH-BGYRXZFFSA-N 2 2 332.488 2.492 10 0 EEAELP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)N[C@H]1CCCc2ccccc21 ZINC000903469215 1240567636 /nfs/dbraw/zinc/56/76/36/1240567636.db2.gz RQZPPHKLPYNWKW-ZWKOTPCHSA-N 2 2 327.472 2.445 10 0 EEAELP CC[C@](C)([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000903898402 1242388930 /nfs/dbraw/zinc/38/89/30/1242388930.db2.gz LDIQZYARDVAKNV-CJNGLKHVSA-N 2 2 334.493 2.383 10 0 EEAELP Cc1[nH+]cc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)n1-c1ccccc1 ZINC000903974650 1242813076 /nfs/dbraw/zinc/81/30/76/1242813076.db2.gz VLEXZUMSGGTADZ-KRWDZBQOSA-N 2 2 340.471 2.429 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000827173499 1250462446 /nfs/dbraw/zinc/46/24/46/1250462446.db2.gz XLLIHOQDZWOBGH-ZWKOTPCHSA-N 2 2 332.444 2.172 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001491024641 1258581788 /nfs/dbraw/zinc/58/17/88/1258581788.db2.gz MFBLHCSUULQNNI-AEGPPILISA-N 2 2 340.418 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001491024641 1258581793 /nfs/dbraw/zinc/58/17/93/1258581793.db2.gz MFBLHCSUULQNNI-AEGPPILISA-N 2 2 340.418 2.405 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001491317826 1258947129 /nfs/dbraw/zinc/94/71/29/1258947129.db2.gz MRVMXYVEFHEIPA-PTENTFFRSA-N 2 2 330.476 2.242 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001491317826 1258947131 /nfs/dbraw/zinc/94/71/31/1258947131.db2.gz MRVMXYVEFHEIPA-PTENTFFRSA-N 2 2 330.476 2.242 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001491317826 1258947132 /nfs/dbraw/zinc/94/71/32/1258947132.db2.gz MRVMXYVEFHEIPA-PTENTFFRSA-N 2 2 330.476 2.242 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001491317826 1258947135 /nfs/dbraw/zinc/94/71/35/1258947135.db2.gz MRVMXYVEFHEIPA-PTENTFFRSA-N 2 2 330.476 2.242 10 0 EEAELP Cc1cncc(C[NH2+][C@@H](C)CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001491492079 1259142217 /nfs/dbraw/zinc/14/22/17/1259142217.db2.gz UZCZVBOBRDNURM-FUHWJXTLSA-N 2 2 343.475 2.468 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001491506420 1259157491 /nfs/dbraw/zinc/15/74/91/1259157491.db2.gz BYSJAGRUEQQXOJ-TZMCWYRMSA-N 2 2 348.397 2.018 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)CCc1c[nH+]cn1C ZINC001273732262 1284360975 /nfs/dbraw/zinc/36/09/75/1284360975.db2.gz RWXBKWCPEAYWHZ-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)Cc1cccc(F)c1 ZINC001490216912 1291090620 /nfs/dbraw/zinc/09/06/20/1291090620.db2.gz IRZVRTQCETXSIS-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)Cc1cccc(F)c1 ZINC001490216912 1291090630 /nfs/dbraw/zinc/09/06/30/1291090630.db2.gz IRZVRTQCETXSIS-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]Cc2cnc(C)o2)c[nH+]1 ZINC001277217422 1301871249 /nfs/dbraw/zinc/87/12/49/1301871249.db2.gz JTEOZOKMZFSKPH-ZDUSSCGKSA-N 2 2 347.463 2.298 10 0 EEAELP Cc1ccc(CCC[NH2+][C@@H](C)CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001278035326 1305757354 /nfs/dbraw/zinc/75/73/54/1305757354.db2.gz RLONFBOCAXQLCU-KRWDZBQOSA-N 2 2 328.460 2.261 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCCc2ccsc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001278316573 1309366055 /nfs/dbraw/zinc/36/60/55/1309366055.db2.gz SZLNHNHFIBUYNF-RHSMWYFYSA-N 2 2 346.500 2.236 10 0 EEAELP [NH3+]C[C@@H]1CC[C@@H]([NH2+]N2CCO[C@@H](c3c(F)cccc3Cl)C2)C1 ZINC000843045290 1315828519 /nfs/dbraw/zinc/82/85/19/1315828519.db2.gz MNGBTSXQFHYBEF-LALPHHSUSA-N 2 2 327.831 2.484 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC[N@@H+]1C ZINC001258296498 1319226655 /nfs/dbraw/zinc/22/66/55/1319226655.db2.gz AVSICIMINUCMEO-MGPQQGTHSA-N 2 2 348.318 2.055 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC[N@H+]1C ZINC001258296498 1319226662 /nfs/dbraw/zinc/22/66/62/1319226662.db2.gz AVSICIMINUCMEO-MGPQQGTHSA-N 2 2 348.318 2.055 10 0 EEAELP Cc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001264997217 1322844667 /nfs/dbraw/zinc/84/46/67/1322844667.db2.gz ZQPNPQKMXNMASU-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001264997217 1322844671 /nfs/dbraw/zinc/84/46/71/1322844671.db2.gz ZQPNPQKMXNMASU-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001264997217 1322844675 /nfs/dbraw/zinc/84/46/75/1322844675.db2.gz ZQPNPQKMXNMASU-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001264997217 1322844677 /nfs/dbraw/zinc/84/46/77/1322844677.db2.gz ZQPNPQKMXNMASU-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1c(F)cccc1F)[NH+](C)C ZINC001265037301 1322879537 /nfs/dbraw/zinc/87/95/37/1322879537.db2.gz VAJABNUOLNXHQS-INIZCTEOSA-N 2 2 327.419 2.243 10 0 EEAELP CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1c(F)cccc1F)[NH+](C)C ZINC001265037301 1322879541 /nfs/dbraw/zinc/87/95/41/1322879541.db2.gz VAJABNUOLNXHQS-INIZCTEOSA-N 2 2 327.419 2.243 10 0 EEAELP Cc1cc(Cl)ccc1C[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265984192 1323543783 /nfs/dbraw/zinc/54/37/83/1323543783.db2.gz NDOLXNYNFNGHHS-UHFFFAOYSA-N 2 2 334.851 2.483 10 0 EEAELP Cc1cc(Cl)ccc1C[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001265984192 1323543787 /nfs/dbraw/zinc/54/37/87/1323543787.db2.gz NDOLXNYNFNGHHS-UHFFFAOYSA-N 2 2 334.851 2.483 10 0 EEAELP COCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001266064224 1323618704 /nfs/dbraw/zinc/61/87/04/1323618704.db2.gz SELWBJQCJJHYAZ-GJZGRUSLSA-N 2 2 330.432 2.001 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC(F)(F)C(F)F)C1)[NH+](C)C ZINC001279288141 1323864133 /nfs/dbraw/zinc/86/41/33/1323864133.db2.gz LWYATSNAFRMYLZ-HTAVTVPLSA-N 2 2 341.393 2.052 10 0 EEAELP Cc1conc1C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001280207348 1324114369 /nfs/dbraw/zinc/11/43/69/1324114369.db2.gz JOHQQVDLBDMXLX-HZPDHXFCSA-N 2 2 345.447 2.159 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001284015056 1326363389 /nfs/dbraw/zinc/36/33/89/1326363389.db2.gz RIZLXUNUWBTUGQ-NVXWUHKLSA-N 2 2 342.443 2.000 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001284632020 1326639972 /nfs/dbraw/zinc/63/99/72/1326639972.db2.gz QXXZWZCVSDUYSB-BYVUIAOWSA-N 2 2 326.872 2.461 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001284632020 1326639973 /nfs/dbraw/zinc/63/99/73/1326639973.db2.gz QXXZWZCVSDUYSB-BYVUIAOWSA-N 2 2 326.872 2.461 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001491636039 1330192216 /nfs/dbraw/zinc/19/22/16/1330192216.db2.gz ARYFNDICFHUYKS-QAPCUYQASA-N 2 2 344.459 2.270 10 0 EEAELP 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JQHNQKIVGLZVME-UHFFFAOYSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C(C)C)c(C)s1 ZINC001317636118 1332340417 /nfs/dbraw/zinc/34/04/17/1332340417.db2.gz FZAYTTYBOSJAKW-UHFFFAOYSA-N 2 2 349.504 2.328 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2cnccc2C)c[nH+]1 ZINC001320464815 1332890173 /nfs/dbraw/zinc/89/01/73/1332890173.db2.gz SUUKEXRVMFPKTA-OAHLLOKOSA-N 2 2 343.475 2.315 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321896043 1333175075 /nfs/dbraw/zinc/17/50/75/1333175075.db2.gz HVLZZGDUPOMDFW-DZGCQCFKSA-N 2 2 330.432 2.230 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCCC[C@@H]3C[NH2+]CCF)ccn12 ZINC001322331504 1333248573 /nfs/dbraw/zinc/24/85/73/1333248573.db2.gz UNMRIHVOMAOHSZ-CVEARBPZSA-N 2 2 332.423 2.490 10 0 EEAELP CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001322582203 1333287814 /nfs/dbraw/zinc/28/78/14/1333287814.db2.gz TVKCWPPHJABFLU-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001323970480 1333581596 /nfs/dbraw/zinc/58/15/96/1333581596.db2.gz VIFYWXHKCCKXGS-INIZCTEOSA-N 2 2 332.492 2.477 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001324208503 1333635042 /nfs/dbraw/zinc/63/50/42/1333635042.db2.gz WYQLMKFQAHSFLA-LBPRGKRZSA-N 2 2 331.247 2.173 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]CCCc2ccsc2)C1 ZINC001326444472 1334095198 /nfs/dbraw/zinc/09/51/98/1334095198.db2.gz CGFRVIMIHQWPNL-MRXNPFEDSA-N 2 2 346.500 2.406 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001328281485 1334435857 /nfs/dbraw/zinc/43/58/57/1334435857.db2.gz DBYZJLVBBHOHAS-GDBMZVCRSA-N 2 2 336.480 2.046 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001328281485 1334435859 /nfs/dbraw/zinc/43/58/59/1334435859.db2.gz DBYZJLVBBHOHAS-GDBMZVCRSA-N 2 2 336.480 2.046 10 0 EEAELP CC(C)OCCC[N@@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001330498841 1334858284 /nfs/dbraw/zinc/85/82/84/1334858284.db2.gz BJWOKUPWUDRXNO-UHFFFAOYSA-N 2 2 348.491 2.013 10 0 EEAELP CC(C)OCCC[N@H+]1CCCC2(CN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001330498841 1334858289 /nfs/dbraw/zinc/85/82/89/1334858289.db2.gz BJWOKUPWUDRXNO-UHFFFAOYSA-N 2 2 348.491 2.013 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001331304881 1334994527 /nfs/dbraw/zinc/99/45/27/1334994527.db2.gz WXWVDBZZWVWIHN-KRWDZBQOSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCCc1cccc(F)c1 ZINC001331592898 1335042121 /nfs/dbraw/zinc/04/21/21/1335042121.db2.gz GMGBTKSBKAGJOB-CQSZACIVSA-N 2 2 332.423 2.161 10 0 EEAELP CCCCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001332008299 1335704208 /nfs/dbraw/zinc/70/42/08/1335704208.db2.gz OXXXWHNQXACINT-HZPDHXFCSA-N 2 2 344.459 2.344 10 0 EEAELP Cc1cc(NC(=O)COC2CC[NH+](C)CC2)ccc1-n1cc[nH+]c1 ZINC001433658133 1341651762 /nfs/dbraw/zinc/65/17/62/1341651762.db2.gz ICVAQGNFEQWFMP-UHFFFAOYSA-N 2 2 328.416 2.230 10 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YJCUCBJVWGXJPD-CVEARBPZSA-N 2 2 331.464 2.139 10 0 EEAELP CCNc1cc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc[nH+]1 ZINC001646951758 1353068645 /nfs/dbraw/zinc/06/86/45/1353068645.db2.gz YJCUCBJVWGXJPD-CVEARBPZSA-N 2 2 331.464 2.139 10 0 EEAELP COCCCC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001661792783 1354697999 /nfs/dbraw/zinc/69/79/99/1354697999.db2.gz GKXVVOFUVCJFPQ-OAHLLOKOSA-N 2 2 344.459 2.431 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001662647103 1354819416 /nfs/dbraw/zinc/81/94/16/1354819416.db2.gz ZTGRSAMGKWAEQV-RCCFBDPRSA-N 2 2 338.455 2.194 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001662647103 1354819419 /nfs/dbraw/zinc/81/94/19/1354819419.db2.gz ZTGRSAMGKWAEQV-RCCFBDPRSA-N 2 2 338.455 2.194 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001662647102 1354819492 /nfs/dbraw/zinc/81/94/92/1354819492.db2.gz ZTGRSAMGKWAEQV-KZNAEPCWSA-N 2 2 338.455 2.194 10 0 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ZINC001669332474 1356146711 /nfs/dbraw/zinc/14/67/11/1356146711.db2.gz YRDPBUHEYRPOIP-SJLPKXTDSA-N 2 2 340.471 2.173 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001672816655 1356591786 /nfs/dbraw/zinc/59/17/86/1356591786.db2.gz SYPUIWPXCAIOSJ-DLBZAZTESA-N 2 2 330.476 2.074 10 0 EEAELP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001675635262 1357023479 /nfs/dbraw/zinc/02/34/79/1357023479.db2.gz MQSGVFWORKEHPW-OKZBNKHCSA-N 2 2 330.476 2.456 10 0 EEAELP CC(C)=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001675635262 1357023481 /nfs/dbraw/zinc/02/34/81/1357023481.db2.gz MQSGVFWORKEHPW-OKZBNKHCSA-N 2 2 330.476 2.456 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001699261510 1405304464 /nfs/dbraw/zinc/30/44/64/1405304464.db2.gz FOFDKOHEJVFJSF-DDGIKZQJSA-N 2 2 340.418 2.430 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001699261510 1405304473 /nfs/dbraw/zinc/30/44/73/1405304473.db2.gz FOFDKOHEJVFJSF-DDGIKZQJSA-N 2 2 340.418 2.430 10 0 EEAELP CCCCOCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001699755550 1405467540 /nfs/dbraw/zinc/46/75/40/1405467540.db2.gz XWHXPBPIXDGURO-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP C[NH+]1CCN(c2ccc(NC(=O)CC(F)(F)C[NH3+])cc2Cl)CC1 ZINC000846674643 790368738 /nfs/dbraw/zinc/36/87/38/790368738.db2.gz RMUQGAKCEARSJK-UHFFFAOYSA-N 2 2 346.809 2.014 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)oc(=O)n2C ZINC000816519024 784095653 /nfs/dbraw/zinc/09/56/53/784095653.db2.gz VSQGICJFBYLSJK-HNNXBMFYSA-N 2 2 326.400 2.301 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)oc(=O)n2C ZINC000816519024 784095660 /nfs/dbraw/zinc/09/56/60/784095660.db2.gz VSQGICJFBYLSJK-HNNXBMFYSA-N 2 2 326.400 2.301 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000819323009 785506184 /nfs/dbraw/zinc/50/61/84/785506184.db2.gz YANIGULGKSJQDN-WFASDCNBSA-N 2 2 336.233 2.353 10 0 EEAELP Cc1cnccc1/C=C\C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266959 787645464 /nfs/dbraw/zinc/64/54/64/787645464.db2.gz KVBUKHYXQCUNER-HMECNJMJSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cnccc1/C=C\C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266959 787645470 /nfs/dbraw/zinc/64/54/70/787645470.db2.gz KVBUKHYXQCUNER-HMECNJMJSA-N 2 2 342.487 2.030 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381665 789077852 /nfs/dbraw/zinc/07/78/52/789077852.db2.gz QJEXUMRNTXZVJK-ROUUACIJSA-N 2 2 338.879 2.079 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381665 789077862 /nfs/dbraw/zinc/07/78/62/789077862.db2.gz QJEXUMRNTXZVJK-ROUUACIJSA-N 2 2 338.879 2.079 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381665 789077872 /nfs/dbraw/zinc/07/78/72/789077872.db2.gz QJEXUMRNTXZVJK-ROUUACIJSA-N 2 2 338.879 2.079 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381665 789077879 /nfs/dbraw/zinc/07/78/79/789077879.db2.gz QJEXUMRNTXZVJK-ROUUACIJSA-N 2 2 338.879 2.079 10 0 EEAELP O=C(CCc1ccccc1)N1CCC[N@H+](CCC[NH2+]C2CC2)CC1 ZINC000923308589 789364283 /nfs/dbraw/zinc/36/42/83/789364283.db2.gz FNRGLXHADDDLOI-UHFFFAOYSA-N 2 2 329.488 2.296 10 0 EEAELP O=C(CCc1ccccc1)N1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000923308589 789364293 /nfs/dbraw/zinc/36/42/93/789364293.db2.gz FNRGLXHADDDLOI-UHFFFAOYSA-N 2 2 329.488 2.296 10 0 EEAELP C[C@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)C(F)(F)F ZINC000929695920 793613400 /nfs/dbraw/zinc/61/34/00/793613400.db2.gz IVKXOCHFWNSSMM-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP C[C@](O)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)C(F)(F)F ZINC000929695920 793613405 /nfs/dbraw/zinc/61/34/05/793613405.db2.gz IVKXOCHFWNSSMM-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716702415 796444075 /nfs/dbraw/zinc/44/40/75/796444075.db2.gz SKRQUDPTRUKMLB-PJVZLEMVSA-N 2 2 348.512 2.205 10 0 EEAELP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716702415 796444077 /nfs/dbraw/zinc/44/40/77/796444077.db2.gz SKRQUDPTRUKMLB-PJVZLEMVSA-N 2 2 348.512 2.205 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)[C@H]2C)co1 ZINC001566117261 1125564611 /nfs/dbraw/zinc/56/46/11/1125564611.db2.gz LHXHHICQGGUVPK-QAPCUYQASA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)[C@H]2C)co1 ZINC001566117261 1125564614 /nfs/dbraw/zinc/56/46/14/1125564614.db2.gz LHXHHICQGGUVPK-QAPCUYQASA-N 2 2 348.491 2.328 10 0 EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2coc(C)n2)C1 ZINC001566484406 1125647492 /nfs/dbraw/zinc/64/74/92/1125647492.db2.gz JRBCDJSLIZXKAU-MRXNPFEDSA-N 2 2 336.480 2.043 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2coc(C)n2)C1 ZINC001566484406 1125647500 /nfs/dbraw/zinc/64/75/00/1125647500.db2.gz JRBCDJSLIZXKAU-MRXNPFEDSA-N 2 2 336.480 2.043 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@H+](C)Cc2coc(C)n2)C1 ZINC001566484406 1125647507 /nfs/dbraw/zinc/64/75/07/1125647507.db2.gz JRBCDJSLIZXKAU-MRXNPFEDSA-N 2 2 336.480 2.043 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc2coc(C)n2)C1 ZINC001566484406 1125647510 /nfs/dbraw/zinc/64/75/10/1125647510.db2.gz JRBCDJSLIZXKAU-MRXNPFEDSA-N 2 2 336.480 2.043 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001566495318 1125660927 /nfs/dbraw/zinc/66/09/27/1125660927.db2.gz DQZGVTQDDYWGLJ-CYBMUJFWSA-N 2 2 335.477 2.237 10 0 EEAELP Cc1ncc(C[N@H+](C)CCCNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001566495318 1125660929 /nfs/dbraw/zinc/66/09/29/1125660929.db2.gz DQZGVTQDDYWGLJ-CYBMUJFWSA-N 2 2 335.477 2.237 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CCC1 ZINC001566551065 1125722312 /nfs/dbraw/zinc/72/23/12/1125722312.db2.gz GNGFCNAUSUSINQ-UHFFFAOYSA-N 2 2 332.492 2.390 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CCC1 ZINC001566551065 1125722320 /nfs/dbraw/zinc/72/23/20/1125722320.db2.gz GNGFCNAUSUSINQ-UHFFFAOYSA-N 2 2 332.492 2.390 10 0 EEAELP CO[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001436476703 1087947311 /nfs/dbraw/zinc/94/73/11/1087947311.db2.gz ODRYSCMLDVRPOK-GJZGRUSLSA-N 2 2 336.480 2.083 10 0 EEAELP CCCc1nc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cs1 ZINC001436480027 1087961160 /nfs/dbraw/zinc/96/11/60/1087961160.db2.gz FLWZCXOFJKRUNO-HIFRSBDPSA-N 2 2 338.521 2.126 10 0 EEAELP CCCc1nc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cs1 ZINC001436480027 1087961169 /nfs/dbraw/zinc/96/11/69/1087961169.db2.gz FLWZCXOFJKRUNO-HIFRSBDPSA-N 2 2 338.521 2.126 10 0 EEAELP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001436729543 1088199219 /nfs/dbraw/zinc/19/92/19/1088199219.db2.gz ASKOFCBZCUXMBH-AWEZNQCLSA-N 2 2 327.831 2.121 10 0 EEAELP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001436729543 1088199229 /nfs/dbraw/zinc/19/92/29/1088199229.db2.gz ASKOFCBZCUXMBH-AWEZNQCLSA-N 2 2 327.831 2.121 10 0 EEAELP O=C(NC1CCC([NH2+]CCC(F)(F)F)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001437087169 1089035538 /nfs/dbraw/zinc/03/55/38/1089035538.db2.gz GLKMOAVQIMJTDT-FIYWTHMPSA-N 2 2 344.381 2.483 10 0 EEAELP O=C(NC1CCC([NH2+]CCC(F)(F)F)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001437087169 1089035558 /nfs/dbraw/zinc/03/55/58/1089035558.db2.gz GLKMOAVQIMJTDT-FIYWTHMPSA-N 2 2 344.381 2.483 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC001437682726 1090218116 /nfs/dbraw/zinc/21/81/16/1090218116.db2.gz RNCUBWFGNSACLX-CQSZACIVSA-N 2 2 347.488 2.244 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1Cc1cncs1 ZINC001437682726 1090218120 /nfs/dbraw/zinc/21/81/20/1090218120.db2.gz RNCUBWFGNSACLX-CQSZACIVSA-N 2 2 347.488 2.244 10 0 EEAELP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CC=C(Cl)Cl)C1 ZINC001437683831 1090223042 /nfs/dbraw/zinc/22/30/42/1090223042.db2.gz DXMQLAFAHBHZLD-QWHCGFSZSA-N 2 2 334.291 2.228 10 0 EEAELP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+]2CC=C(Cl)Cl)C1 ZINC001437683831 1090223050 /nfs/dbraw/zinc/22/30/50/1090223050.db2.gz DXMQLAFAHBHZLD-QWHCGFSZSA-N 2 2 334.291 2.228 10 0 EEAELP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@@H+]2CC=C(Cl)Cl)C1 ZINC001437683831 1090223059 /nfs/dbraw/zinc/22/30/59/1090223059.db2.gz DXMQLAFAHBHZLD-QWHCGFSZSA-N 2 2 334.291 2.228 10 0 EEAELP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CCC[N@H+]2CC=C(Cl)Cl)C1 ZINC001437683831 1090223068 /nfs/dbraw/zinc/22/30/68/1090223068.db2.gz DXMQLAFAHBHZLD-QWHCGFSZSA-N 2 2 334.291 2.228 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001437692278 1090234849 /nfs/dbraw/zinc/23/48/49/1090234849.db2.gz FBAOEOLLIZZDOW-HNNXBMFYSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001437692278 1090234853 /nfs/dbraw/zinc/23/48/53/1090234853.db2.gz FBAOEOLLIZZDOW-HNNXBMFYSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001437692278 1090234859 /nfs/dbraw/zinc/23/48/59/1090234859.db2.gz FBAOEOLLIZZDOW-HNNXBMFYSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001437692278 1090234864 /nfs/dbraw/zinc/23/48/64/1090234864.db2.gz FBAOEOLLIZZDOW-HNNXBMFYSA-N 2 2 336.480 2.219 10 0 EEAELP C[C@](C[NH2+]Cc1ccc(F)c(F)c1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001438426957 1090924493 /nfs/dbraw/zinc/92/44/93/1090924493.db2.gz YLRNTPHWAAKZGQ-GOSISDBHSA-N 2 2 348.397 2.305 10 0 EEAELP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001438699342 1091205588 /nfs/dbraw/zinc/20/55/88/1091205588.db2.gz YUMIKMZQDISGMH-HZPDHXFCSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ncc(C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001445742806 1091570159 /nfs/dbraw/zinc/57/01/59/1091570159.db2.gz FYFYCRQCNDRHDT-AWEZNQCLSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncc(C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001445742806 1091570167 /nfs/dbraw/zinc/57/01/67/1091570167.db2.gz FYFYCRQCNDRHDT-AWEZNQCLSA-N 2 2 336.480 2.184 10 0 EEAELP CN(CC[N@H+](C)CC[C@H]1CCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001438938814 1091623125 /nfs/dbraw/zinc/62/31/25/1091623125.db2.gz BIPYEXGXCCNGPB-GOSISDBHSA-N 2 2 340.471 2.393 10 0 EEAELP CN(CC[N@@H+](C)CC[C@H]1CCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001438938814 1091623128 /nfs/dbraw/zinc/62/31/28/1091623128.db2.gz BIPYEXGXCCNGPB-GOSISDBHSA-N 2 2 340.471 2.393 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCn2cc[nH+]c2)sn1 ZINC001438959734 1091652164 /nfs/dbraw/zinc/65/21/64/1091652164.db2.gz JRXIVMDCIXXQOS-ZBFHGGJFSA-N 2 2 347.488 2.113 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445809926 1091682884 /nfs/dbraw/zinc/68/28/84/1091682884.db2.gz BBYKINHUEIBTIT-CGTJXYLNSA-N 2 2 340.471 2.203 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445809926 1091682888 /nfs/dbraw/zinc/68/28/88/1091682888.db2.gz BBYKINHUEIBTIT-CGTJXYLNSA-N 2 2 340.471 2.203 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc(Cl)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001439406890 1092169398 /nfs/dbraw/zinc/16/93/98/1092169398.db2.gz PDMAFIHNWKRYFW-GFCCVEGCSA-N 2 2 338.814 2.312 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc(Cl)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001439406890 1092169401 /nfs/dbraw/zinc/16/94/01/1092169401.db2.gz PDMAFIHNWKRYFW-GFCCVEGCSA-N 2 2 338.814 2.312 10 0 EEAELP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001446299174 1092465442 /nfs/dbraw/zinc/46/54/42/1092465442.db2.gz NJJOUBOPMZTVMI-UHFFFAOYSA-N 2 2 346.475 2.166 10 0 EEAELP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001439935730 1093028014 /nfs/dbraw/zinc/02/80/14/1093028014.db2.gz UVYJIWKGBVZOFY-VQIMIIECSA-N 2 2 332.492 2.464 10 0 EEAELP CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001439935730 1093028031 /nfs/dbraw/zinc/02/80/31/1093028031.db2.gz UVYJIWKGBVZOFY-VQIMIIECSA-N 2 2 332.492 2.464 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C(Cl)=C/Cl ZINC001440190322 1093253584 /nfs/dbraw/zinc/25/35/84/1093253584.db2.gz JDWCCZURVHYSKX-HVDISPMTSA-N 2 2 334.291 2.322 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C(Cl)=C/Cl ZINC001440190322 1093253588 /nfs/dbraw/zinc/25/35/88/1093253588.db2.gz JDWCCZURVHYSKX-HVDISPMTSA-N 2 2 334.291 2.322 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001440277629 1093395110 /nfs/dbraw/zinc/39/51/10/1093395110.db2.gz PVBAQUFMOLRDCT-QGZVFWFLSA-N 2 2 330.407 2.064 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001440277629 1093395114 /nfs/dbraw/zinc/39/51/14/1093395114.db2.gz PVBAQUFMOLRDCT-QGZVFWFLSA-N 2 2 330.407 2.064 10 0 EEAELP CC(C)c1cccc(C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCC2)n1 ZINC001440331624 1093474367 /nfs/dbraw/zinc/47/43/67/1093474367.db2.gz AGUDDKZUSHUUJZ-UHFFFAOYSA-N 2 2 341.459 2.299 10 0 EEAELP CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001440344190 1093493356 /nfs/dbraw/zinc/49/33/56/1093493356.db2.gz OZSWYTHVIKXEKM-BZUAXINKSA-N 2 2 332.492 2.366 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001440402799 1093590247 /nfs/dbraw/zinc/59/02/47/1093590247.db2.gz KIJPLOBDOGFBMD-DOTOQJQBSA-N 2 2 331.460 2.307 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1Cc1cccnc1 ZINC001440442972 1093650577 /nfs/dbraw/zinc/65/05/77/1093650577.db2.gz HSNYLRRVSWAXMM-ZWKOTPCHSA-N 2 2 341.459 2.228 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1Cc1cccnc1 ZINC001440442972 1093650579 /nfs/dbraw/zinc/65/05/79/1093650579.db2.gz HSNYLRRVSWAXMM-ZWKOTPCHSA-N 2 2 341.459 2.228 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1nccs1 ZINC001440502812 1093745235 /nfs/dbraw/zinc/74/52/35/1093745235.db2.gz JDDGENKIHGWDCV-CABCVRRESA-N 2 2 336.505 2.098 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1Cc1nccs1 ZINC001440502812 1093745242 /nfs/dbraw/zinc/74/52/42/1093745242.db2.gz JDDGENKIHGWDCV-CABCVRRESA-N 2 2 336.505 2.098 10 0 EEAELP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001440751222 1093996782 /nfs/dbraw/zinc/99/67/82/1093996782.db2.gz ICWARKMVZTUUGH-CGZBRXJRSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@]3(NC(=O)C[N@@H+](C)C4CCC4)CCC[C@H]23)co1 ZINC001449028680 1094037146 /nfs/dbraw/zinc/03/71/46/1094037146.db2.gz IHYCSMWVXAHNEO-HKUYNNGSSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@]3(NC(=O)C[N@H+](C)C4CCC4)CCC[C@H]23)co1 ZINC001449028680 1094037153 /nfs/dbraw/zinc/03/71/53/1094037153.db2.gz IHYCSMWVXAHNEO-HKUYNNGSSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@]3(NC(=O)C[NH+](C)C4CCC4)CCC[C@H]23)co1 ZINC001449028680 1094037157 /nfs/dbraw/zinc/03/71/57/1094037157.db2.gz IHYCSMWVXAHNEO-HKUYNNGSSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@]3(NC(=O)C[NH+](C)C4CCC4)CCC[C@H]23)co1 ZINC001449028680 1094037164 /nfs/dbraw/zinc/03/71/64/1094037164.db2.gz IHYCSMWVXAHNEO-HKUYNNGSSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH+]cn2C)s1 ZINC001440846699 1094104301 /nfs/dbraw/zinc/10/43/01/1094104301.db2.gz PTKYQCOFKBFPSX-VXGBXAGGSA-N 2 2 349.504 2.109 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001440855269 1094115370 /nfs/dbraw/zinc/11/53/70/1094115370.db2.gz YYORKQSFVCBJIT-UONOGXRCSA-N 2 2 332.423 2.175 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001449364299 1094329051 /nfs/dbraw/zinc/32/90/51/1094329051.db2.gz HVELEXFHFBQNAZ-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1nocc1C[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001441107537 1094418616 /nfs/dbraw/zinc/41/86/16/1094418616.db2.gz STARBPGXPXGRFJ-UHFFFAOYSA-N 2 2 345.447 2.166 10 0 EEAELP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441313904 1094769302 /nfs/dbraw/zinc/76/93/02/1094769302.db2.gz RPXLJGBIOWOPEX-UDTPNQRGSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441313904 1094769313 /nfs/dbraw/zinc/76/93/13/1094769313.db2.gz RPXLJGBIOWOPEX-UDTPNQRGSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001441313904 1094769325 /nfs/dbraw/zinc/76/93/25/1094769325.db2.gz RPXLJGBIOWOPEX-UDTPNQRGSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001441313904 1094769337 /nfs/dbraw/zinc/76/93/37/1094769337.db2.gz RPXLJGBIOWOPEX-UDTPNQRGSA-N 2 2 338.455 2.398 10 0 EEAELP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001441380965 1094919902 /nfs/dbraw/zinc/91/99/02/1094919902.db2.gz FRIBNXAXTAUSNB-CVEARBPZSA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001441380965 1094919913 /nfs/dbraw/zinc/91/99/13/1094919913.db2.gz FRIBNXAXTAUSNB-CVEARBPZSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCCO2)C1)n1cc[nH+]c1 ZINC001441398563 1094967367 /nfs/dbraw/zinc/96/73/67/1094967367.db2.gz NKQPAGOIQGZBFM-BRSBDYLESA-N 2 2 348.491 2.276 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)cc1C ZINC001441505692 1095191431 /nfs/dbraw/zinc/19/14/31/1095191431.db2.gz HOILJQNMFXQRHK-HDICACEKSA-N 2 2 340.471 2.407 10 0 EEAELP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CC1CC2(CCC2)C1 ZINC001441850244 1095935420 /nfs/dbraw/zinc/93/54/20/1095935420.db2.gz ARKDNYBLVMCMJK-HNNXBMFYSA-N 2 2 344.503 2.437 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001442074816 1096289227 /nfs/dbraw/zinc/28/92/27/1096289227.db2.gz UCYPBQUELLDFKT-QRTARXTBSA-N 2 2 348.397 2.026 10 0 EEAELP CCc1cnc(C[NH2+]C[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C)o1 ZINC001442145830 1096395566 /nfs/dbraw/zinc/39/55/66/1096395566.db2.gz PMLHFUHIOKECQR-OAHLLOKOSA-N 2 2 347.463 2.063 10 0 EEAELP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001443190192 1097634575 /nfs/dbraw/zinc/63/45/75/1097634575.db2.gz RJHBFCKCHQPGHQ-RDJZCZTQSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001443190192 1097634579 /nfs/dbraw/zinc/63/45/79/1097634579.db2.gz RJHBFCKCHQPGHQ-RDJZCZTQSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2C[NH+](CC3CC(F)(F)C3)C2)c[nH+]1 ZINC001443592085 1098084133 /nfs/dbraw/zinc/08/41/33/1098084133.db2.gz NPXURNMBQQRWLW-UHFFFAOYSA-N 2 2 340.418 2.020 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC001443623501 1098119155 /nfs/dbraw/zinc/11/91/55/1098119155.db2.gz OAWIGURCRYXFEH-UHFFFAOYSA-N 2 2 338.455 2.468 10 0 EEAELP CCCc1ccc(C[NH+]2CC(CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001443672374 1098174268 /nfs/dbraw/zinc/17/42/68/1098174268.db2.gz ZTBWVTCNATUISF-UHFFFAOYSA-N 2 2 326.444 2.084 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001443835906 1098347356 /nfs/dbraw/zinc/34/73/56/1098347356.db2.gz CVOIICXWNVQLLI-VQIMIIECSA-N 2 2 340.471 2.364 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001443835906 1098347360 /nfs/dbraw/zinc/34/73/60/1098347360.db2.gz CVOIICXWNVQLLI-VQIMIIECSA-N 2 2 340.471 2.364 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001443835906 1098347367 /nfs/dbraw/zinc/34/73/67/1098347367.db2.gz CVOIICXWNVQLLI-VQIMIIECSA-N 2 2 340.471 2.364 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001443835906 1098347372 /nfs/dbraw/zinc/34/73/72/1098347372.db2.gz CVOIICXWNVQLLI-VQIMIIECSA-N 2 2 340.471 2.364 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001479481649 1098559760 /nfs/dbraw/zinc/55/97/60/1098559760.db2.gz JFERNWULBKAFQC-UONOGXRCSA-N 2 2 347.488 2.100 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC001479494500 1098564173 /nfs/dbraw/zinc/56/41/73/1098564173.db2.gz QJQGMKCMIGOPIZ-FUHWJXTLSA-N 2 2 341.459 2.133 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C)oc1C ZINC001479708415 1098785291 /nfs/dbraw/zinc/78/52/91/1098785291.db2.gz MPAWVAQJXLFULA-OIISXLGYSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C)oc1C ZINC001479708415 1098785302 /nfs/dbraw/zinc/78/53/02/1098785302.db2.gz MPAWVAQJXLFULA-OIISXLGYSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)[C@H]2C)oc1C ZINC001479708415 1098785312 /nfs/dbraw/zinc/78/53/12/1098785312.db2.gz MPAWVAQJXLFULA-OIISXLGYSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)[C@H]2C)oc1C ZINC001479708415 1098785320 /nfs/dbraw/zinc/78/53/20/1098785320.db2.gz MPAWVAQJXLFULA-OIISXLGYSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc2cnccc2C)c[nH+]1 ZINC001444320460 1098882432 /nfs/dbraw/zinc/88/24/32/1098882432.db2.gz HXMQCIZHLPQBEE-CQSZACIVSA-N 2 2 343.475 2.172 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444693607 1099545490 /nfs/dbraw/zinc/54/54/90/1099545490.db2.gz NYYSRADFZMCLKY-HOTGVXAUSA-N 2 2 340.471 2.194 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)cc1 ZINC001480233884 1099861644 /nfs/dbraw/zinc/86/16/44/1099861644.db2.gz DRFGTHNJOVGYLH-CALCHBBNSA-N 2 2 326.444 2.098 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@@H]2CNC(=O)CC[C@@H]2CCC[N@H+]2C)co1 ZINC001480317199 1100051044 /nfs/dbraw/zinc/05/10/44/1100051044.db2.gz AGVOKIBIWKHPFB-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@@H]2CNC(=O)CC[C@@H]2CCC[N@@H+]2C)co1 ZINC001480317199 1100051047 /nfs/dbraw/zinc/05/10/47/1100051047.db2.gz AGVOKIBIWKHPFB-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[C@@H]2CCC[NH+]2C)co1 ZINC001480317199 1100051053 /nfs/dbraw/zinc/05/10/53/1100051053.db2.gz AGVOKIBIWKHPFB-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[C@@H]2CCC[NH+]2C)co1 ZINC001480317199 1100051059 /nfs/dbraw/zinc/05/10/59/1100051059.db2.gz AGVOKIBIWKHPFB-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@H+]1CCOCC1CCC1 ZINC001480331112 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2 2 348.491 2.061 10 0 EEAELP C[C@@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568282829 1124402724 /nfs/dbraw/zinc/40/27/24/1124402724.db2.gz RAHPRSLLFNOQDJ-NWDGAFQWSA-N 2 2 345.274 2.201 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001568400239 1124469965 /nfs/dbraw/zinc/46/99/65/1124469965.db2.gz FXXUJBJGAATUSS-SFHVURJKSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)cs1 ZINC001568400345 1124470419 /nfs/dbraw/zinc/47/04/19/1124470419.db2.gz IGFSEWFAUUOAQW-MRXNPFEDSA-N 2 2 347.488 2.209 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)CCc1[nH+]ccn1C ZINC001568659936 1124674316 /nfs/dbraw/zinc/67/43/16/1124674316.db2.gz OROQIAUTZSQBAT-LWMMSDEHSA-N 2 2 333.263 2.156 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001568702995 1124719410 /nfs/dbraw/zinc/71/94/10/1124719410.db2.gz GCMAAIREVFDNLU-SNVBAGLBSA-N 2 2 335.477 2.019 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC001569258066 1125200765 /nfs/dbraw/zinc/20/07/65/1125200765.db2.gz PXFZBPIKIKZNAQ-AWEZNQCLSA-N 2 2 332.423 2.301 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000056864124 214392274 /nfs/dbraw/zinc/39/22/74/214392274.db2.gz MAJBSLDFJVGLDV-UHFFFAOYSA-N 2 2 333.480 2.021 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC000353585295 539893184 /nfs/dbraw/zinc/89/31/84/539893184.db2.gz QYMISKGOUGKEDN-OLZOCXBDSA-N 2 2 335.414 2.107 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000069392323 215399193 /nfs/dbraw/zinc/39/91/93/215399193.db2.gz RAYXMBRRJATYKB-QZTJIDSGSA-N 2 2 347.528 2.377 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000069392323 215399197 /nfs/dbraw/zinc/39/91/97/215399197.db2.gz RAYXMBRRJATYKB-QZTJIDSGSA-N 2 2 347.528 2.377 10 0 EEAELP CCCCNC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272641 539992410 /nfs/dbraw/zinc/99/24/10/539992410.db2.gz SQAAGIZDIGSDTI-AAEUAGOBSA-N 2 2 325.482 2.234 10 0 EEAELP CCCCNC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725272641 539992414 /nfs/dbraw/zinc/99/24/14/539992414.db2.gz SQAAGIZDIGSDTI-AAEUAGOBSA-N 2 2 325.482 2.234 10 0 EEAELP CCNC(=O)C1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCC1 ZINC000423082476 240357697 /nfs/dbraw/zinc/35/76/97/240357697.db2.gz WXFWHPFQUKFOOE-MSOLQXFVSA-N 2 2 345.487 2.384 10 0 EEAELP c1ccc(N2CCC(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423090430 240360810 /nfs/dbraw/zinc/36/08/10/240360810.db2.gz XKFJORXKXSBJQA-VQTJNVASSA-N 2 2 329.488 2.260 10 0 EEAELP Cc1nc2ccccc2n1CCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422768206 240217700 /nfs/dbraw/zinc/21/77/00/240217700.db2.gz ZEGAQSXKGUTHDI-RBUKOAKNSA-N 2 2 328.460 2.091 10 0 EEAELP COc1ccc(C(C)(C)C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC ZINC000422858879 240263186 /nfs/dbraw/zinc/26/31/86/240263186.db2.gz JDUCMQLRCFJIEQ-RTBURBONSA-N 2 2 348.487 2.338 10 0 EEAELP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422893465 240278956 /nfs/dbraw/zinc/27/89/56/240278956.db2.gz QRIFHTIMAHRKFU-ICSRJNTNSA-N 2 2 344.503 2.319 10 0 EEAELP COc1ccc([C@H]([NH2+]CCn2cnnc2C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422912582 240289847 /nfs/dbraw/zinc/28/98/47/240289847.db2.gz NLYUXIIYIZWPRC-MSOLQXFVSA-N 2 2 341.459 2.247 10 0 EEAELP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000422928793 240293310 /nfs/dbraw/zinc/29/33/10/240293310.db2.gz MQZNXMOKZCYMBH-NXEZZACHSA-N 2 2 338.253 2.450 10 0 EEAELP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000422928793 240293315 /nfs/dbraw/zinc/29/33/15/240293315.db2.gz MQZNXMOKZCYMBH-NXEZZACHSA-N 2 2 338.253 2.450 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)c2ccnn2C)cc1 ZINC000459710000 245218169 /nfs/dbraw/zinc/21/81/69/245218169.db2.gz KYXVLFBPOYMZDM-CXAGYDPISA-N 2 2 325.416 2.298 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2cc(F)ccc2O)([NH+]2CCCCC2)CC1 ZINC000080031693 217274591 /nfs/dbraw/zinc/27/45/91/217274591.db2.gz ZIXQDRLNSSTOJR-UHFFFAOYSA-N 2 2 349.450 2.211 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc(OC)c1 ZINC000093147362 218198180 /nfs/dbraw/zinc/19/81/80/218198180.db2.gz WOFHZIGARVXIKR-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc(OC)c1 ZINC000093147362 218198182 /nfs/dbraw/zinc/19/81/82/218198182.db2.gz WOFHZIGARVXIKR-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP Cc1cccc2c(NCCCCN3CC[NH+](CCO)CC3)cc[nH+]c12 ZINC000095421338 218363539 /nfs/dbraw/zinc/36/35/39/218363539.db2.gz DGGWWYATPXVCPL-UHFFFAOYSA-N 2 2 342.487 2.345 10 0 EEAELP Brc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422770467 532964331 /nfs/dbraw/zinc/96/43/31/532964331.db2.gz WVTOZZVACHZYOE-CABCVRRESA-N 2 2 325.250 2.306 10 0 EEAELP Brc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422770470 532964601 /nfs/dbraw/zinc/96/46/01/532964601.db2.gz WVTOZZVACHZYOE-LSDHHAIUSA-N 2 2 325.250 2.306 10 0 EEAELP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271314011 256232138 /nfs/dbraw/zinc/23/21/38/256232138.db2.gz MSLCZUZPISJMEE-OAGGEKHMSA-N 2 2 341.459 2.364 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)[NH+]2CCCC2)cc1 ZINC000263102595 152374029 /nfs/dbraw/zinc/37/40/29/152374029.db2.gz ZPWKRLSTZSGHIL-HZPDHXFCSA-N 2 2 337.414 2.245 10 0 EEAELP C[C@@H](CS(C)(=O)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000089632904 159183201 /nfs/dbraw/zinc/18/32/01/159183201.db2.gz URWQRIJZOBVXCO-MIGBEJBISA-N 2 2 336.501 2.205 10 0 EEAELP C[C@@H](CS(C)(=O)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000089632904 159183203 /nfs/dbraw/zinc/18/32/03/159183203.db2.gz URWQRIJZOBVXCO-MIGBEJBISA-N 2 2 336.501 2.205 10 0 EEAELP C[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@H+](C)C1CC1 ZINC000105140627 159297336 /nfs/dbraw/zinc/29/73/36/159297336.db2.gz CJIVRYIWRKQBGK-OAHLLOKOSA-N 2 2 341.459 2.213 10 0 EEAELP C[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[N@@H+](C)C1CC1 ZINC000105140627 159297338 /nfs/dbraw/zinc/29/73/38/159297338.db2.gz CJIVRYIWRKQBGK-OAHLLOKOSA-N 2 2 341.459 2.213 10 0 EEAELP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186436087 160071009 /nfs/dbraw/zinc/07/10/09/160071009.db2.gz KLYDRNVGHQJSAR-INIZCTEOSA-N 2 2 333.480 2.034 10 0 EEAELP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186436087 160071011 /nfs/dbraw/zinc/07/10/11/160071011.db2.gz KLYDRNVGHQJSAR-INIZCTEOSA-N 2 2 333.480 2.034 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000192042957 160166505 /nfs/dbraw/zinc/16/65/05/160166505.db2.gz WQYLHWYEWZKOCK-LJQANCHMSA-N 2 2 326.444 2.087 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000192042957 160166507 /nfs/dbraw/zinc/16/65/07/160166507.db2.gz WQYLHWYEWZKOCK-LJQANCHMSA-N 2 2 326.444 2.087 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N3CCC[N@@H+](C4CC4)CC3)CC2)[nH+]c1 ZINC000195410301 160212391 /nfs/dbraw/zinc/21/23/91/160212391.db2.gz NBSZVKVSYPZJJE-UHFFFAOYSA-N 2 2 342.487 2.303 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N3CCC[N@H+](C4CC4)CC3)CC2)[nH+]c1 ZINC000195410301 160212393 /nfs/dbraw/zinc/21/23/93/160212393.db2.gz NBSZVKVSYPZJJE-UHFFFAOYSA-N 2 2 342.487 2.303 10 0 EEAELP CC(C)([NH3+])CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000236578693 160218858 /nfs/dbraw/zinc/21/88/58/160218858.db2.gz ZLHIKSLJCAEENM-LBPRGKRZSA-N 2 2 325.403 2.173 10 0 EEAELP CC(C)([NH3+])CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000236578693 160218859 /nfs/dbraw/zinc/21/88/59/160218859.db2.gz ZLHIKSLJCAEENM-LBPRGKRZSA-N 2 2 325.403 2.173 10 0 EEAELP C[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245752836 160251354 /nfs/dbraw/zinc/25/13/54/160251354.db2.gz XYYAJPDYMLKZNS-BLLLJJGKSA-N 2 2 327.831 2.150 10 0 EEAELP C[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245752836 160251357 /nfs/dbraw/zinc/25/13/57/160251357.db2.gz XYYAJPDYMLKZNS-BLLLJJGKSA-N 2 2 327.831 2.150 10 0 EEAELP C[C@H]1CC[C@H](CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000245885220 160255362 /nfs/dbraw/zinc/25/53/62/160255362.db2.gz IMWCYAKIPPGOEI-QRXAFDDPSA-N 2 2 349.519 2.104 10 0 EEAELP C[C@H]1CC[C@H](CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000245885220 160255364 /nfs/dbraw/zinc/25/53/64/160255364.db2.gz IMWCYAKIPPGOEI-QRXAFDDPSA-N 2 2 349.519 2.104 10 0 EEAELP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000246935588 160301535 /nfs/dbraw/zinc/30/15/35/160301535.db2.gz NKBSWACFRJGBMF-IRXDYDNUSA-N 2 2 347.507 2.116 10 0 EEAELP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000246935588 160301536 /nfs/dbraw/zinc/30/15/36/160301536.db2.gz NKBSWACFRJGBMF-IRXDYDNUSA-N 2 2 347.507 2.116 10 0 EEAELP CSc1nnc(CCC[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)n1CC(C)C ZINC000344396322 161223463 /nfs/dbraw/zinc/22/34/63/161223463.db2.gz WYIUKTKKFKTMSD-ZIAGYGMSSA-N 2 2 325.526 2.128 10 0 EEAELP CSc1nnc(CCC[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)n1CC(C)C ZINC000344396322 161223464 /nfs/dbraw/zinc/22/34/64/161223464.db2.gz WYIUKTKKFKTMSD-ZIAGYGMSSA-N 2 2 325.526 2.128 10 0 EEAELP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346489013 161376448 /nfs/dbraw/zinc/37/64/48/161376448.db2.gz KCEWYBKCPUGCTF-VXGBXAGGSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346489013 161376449 /nfs/dbraw/zinc/37/64/49/161376449.db2.gz KCEWYBKCPUGCTF-VXGBXAGGSA-N 2 2 349.385 2.370 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](CO)c3ccsc3)c2cc1C ZINC000352032351 162037833 /nfs/dbraw/zinc/03/78/33/162037833.db2.gz LATKYGWPSKWZGR-DOTOQJQBSA-N 2 2 345.468 2.399 10 0 EEAELP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355212688 163112543 /nfs/dbraw/zinc/11/25/43/163112543.db2.gz DNQMNEBPODNEAO-OCCSQVGLSA-N 2 2 343.397 2.001 10 0 EEAELP C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355212688 163112545 /nfs/dbraw/zinc/11/25/45/163112545.db2.gz DNQMNEBPODNEAO-OCCSQVGLSA-N 2 2 343.397 2.001 10 0 EEAELP C[N@H+](CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CCCC1 ZINC000355440488 163191683 /nfs/dbraw/zinc/19/16/83/163191683.db2.gz FGIYQMXVYMMFFU-UHFFFAOYSA-N 2 2 347.385 2.119 10 0 EEAELP C[N@@H+](CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CCCC1 ZINC000355440488 163191686 /nfs/dbraw/zinc/19/16/86/163191686.db2.gz FGIYQMXVYMMFFU-UHFFFAOYSA-N 2 2 347.385 2.119 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847023 166010229 /nfs/dbraw/zinc/01/02/29/166010229.db2.gz OGJPMIBYNNNCAY-HKUYNNGSSA-N 2 2 331.460 2.440 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847023 166010232 /nfs/dbraw/zinc/01/02/32/166010232.db2.gz OGJPMIBYNNNCAY-HKUYNNGSSA-N 2 2 331.460 2.440 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367847023 166010234 /nfs/dbraw/zinc/01/02/34/166010234.db2.gz OGJPMIBYNNNCAY-HKUYNNGSSA-N 2 2 331.460 2.440 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367847023 166010235 /nfs/dbraw/zinc/01/02/35/166010235.db2.gz OGJPMIBYNNNCAY-HKUYNNGSSA-N 2 2 331.460 2.440 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000368124429 166055098 /nfs/dbraw/zinc/05/50/98/166055098.db2.gz RKFIKWCAEMLQSG-OAHLLOKOSA-N 2 2 337.427 2.148 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000368124429 166055100 /nfs/dbraw/zinc/05/51/00/166055100.db2.gz RKFIKWCAEMLQSG-OAHLLOKOSA-N 2 2 337.427 2.148 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000368290252 166083988 /nfs/dbraw/zinc/08/39/88/166083988.db2.gz DNMKRVRBJQVJGM-UHFFFAOYSA-N 3 2 337.508 2.011 10 0 EEAELP c1cn2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nc2s1 ZINC000368908807 166150268 /nfs/dbraw/zinc/15/02/68/166150268.db2.gz DRTHQOUQBCTRAD-UHFFFAOYSA-N 2 2 334.489 2.330 10 0 EEAELP Cc1nc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2o1 ZINC000376097345 167261230 /nfs/dbraw/zinc/26/12/30/167261230.db2.gz QARLVQIPZJHHJG-OAHLLOKOSA-N 2 2 342.443 2.035 10 0 EEAELP Cc1nc2ccc(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2o1 ZINC000376097345 167261231 /nfs/dbraw/zinc/26/12/31/167261231.db2.gz QARLVQIPZJHHJG-OAHLLOKOSA-N 2 2 342.443 2.035 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[N@@H+]1C ZINC000123253660 222244123 /nfs/dbraw/zinc/24/41/23/222244123.db2.gz DKALPXMUALORMW-ZIAGYGMSSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[N@H+]1C ZINC000123253660 222244127 /nfs/dbraw/zinc/24/41/27/222244127.db2.gz DKALPXMUALORMW-ZIAGYGMSSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[NH+]1C ZINC000123253660 222244129 /nfs/dbraw/zinc/24/41/29/222244129.db2.gz DKALPXMUALORMW-ZIAGYGMSSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[NH+]1C ZINC000123253660 222244133 /nfs/dbraw/zinc/24/41/33/222244133.db2.gz DKALPXMUALORMW-ZIAGYGMSSA-N 2 2 335.496 2.071 10 0 EEAELP COc1ccc(C[NH+]2CCC3(C[C@@H]([NH+]4CCOCC4)CO3)CC2)cc1 ZINC000096073263 274108716 /nfs/dbraw/zinc/10/87/16/274108716.db2.gz SVKBZBNRAPARCR-GOSISDBHSA-N 2 2 346.471 2.151 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000453231050 277171819 /nfs/dbraw/zinc/17/18/19/277171819.db2.gz IDEBHFPJMBVBNA-IWCQGFGOSA-N 2 2 334.485 2.020 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000453231050 277171821 /nfs/dbraw/zinc/17/18/21/277171821.db2.gz IDEBHFPJMBVBNA-IWCQGFGOSA-N 2 2 334.485 2.020 10 0 EEAELP Cc1cc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)ncn1 ZINC000292893538 293070731 /nfs/dbraw/zinc/07/07/31/293070731.db2.gz QOIIDNHDAGJDFX-UHFFFAOYSA-N 2 2 339.487 2.035 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000297320377 294211499 /nfs/dbraw/zinc/21/14/99/294211499.db2.gz IWEOOVNOOMVVFL-QGZVFWFLSA-N 2 2 342.443 2.062 10 0 EEAELP O=C(NC1CC[NH+](C2CCC2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000334100275 312239582 /nfs/dbraw/zinc/23/95/82/312239582.db2.gz VUKSNESYRXXCJY-QGZVFWFLSA-N 2 2 331.464 2.074 10 0 EEAELP OC1CC[NH+](CCC[NH2+]Cc2ccsc2Br)CC1 ZINC000527646308 317235936 /nfs/dbraw/zinc/23/59/36/317235936.db2.gz UHKMMYKDICLAQV-UHFFFAOYSA-N 2 2 333.295 2.447 10 0 EEAELP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 ZINC000527758077 317257323 /nfs/dbraw/zinc/25/73/23/317257323.db2.gz SXMHIKYWAJYHPE-ROUUACIJSA-N 2 2 338.879 2.434 10 0 EEAELP CCCOc1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000527940320 317288926 /nfs/dbraw/zinc/28/89/26/317288926.db2.gz XCIWNDRALKNNQL-SJPCQFCGSA-N 2 2 345.491 2.013 10 0 EEAELP CCCOc1nccnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000527940320 317288930 /nfs/dbraw/zinc/28/89/30/317288930.db2.gz XCIWNDRALKNNQL-SJPCQFCGSA-N 2 2 345.491 2.013 10 0 EEAELP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000542310120 318126113 /nfs/dbraw/zinc/12/61/13/318126113.db2.gz GDBXSSQPSITYJO-UHFFFAOYSA-N 3 2 334.489 2.259 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1=O ZINC000543087785 318150589 /nfs/dbraw/zinc/15/05/89/318150589.db2.gz VOZFNAPPRGJCHQ-DLBZAZTESA-N 2 2 342.418 2.327 10 0 EEAELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCSCC1 ZINC000548307495 318373418 /nfs/dbraw/zinc/37/34/18/318373418.db2.gz NXMVMVUEFHLBNI-HIFRSBDPSA-N 2 2 336.505 2.032 10 0 EEAELP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000563394188 319005906 /nfs/dbraw/zinc/00/59/06/319005906.db2.gz MHDWDBYVMCBKDV-SFHVURJKSA-N 2 2 329.488 2.355 10 0 EEAELP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000563394188 319005907 /nfs/dbraw/zinc/00/59/07/319005907.db2.gz MHDWDBYVMCBKDV-SFHVURJKSA-N 2 2 329.488 2.355 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@H](C)n3cccc3)CC2)CC1 ZINC000564817981 319113327 /nfs/dbraw/zinc/11/33/27/319113327.db2.gz VDYWBMXKOXJUKO-SFHVURJKSA-N 2 2 346.519 2.458 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@H](C)n3cccc3)CC2)CC1 ZINC000564817981 319113328 /nfs/dbraw/zinc/11/33/28/319113328.db2.gz VDYWBMXKOXJUKO-SFHVURJKSA-N 2 2 346.519 2.458 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000575376944 320103716 /nfs/dbraw/zinc/10/37/16/320103716.db2.gz AHWANMJYLNCQQA-FQEVSTJZSA-N 3 2 331.504 2.217 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000575376944 320103719 /nfs/dbraw/zinc/10/37/19/320103719.db2.gz AHWANMJYLNCQQA-FQEVSTJZSA-N 3 2 331.504 2.217 10 0 EEAELP CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H](C[NH3+])C1CC1 ZINC000576368609 320166471 /nfs/dbraw/zinc/16/64/71/320166471.db2.gz FOWIBJUUECFTGG-AWEZNQCLSA-N 2 2 337.493 2.330 10 0 EEAELP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000182373234 323373980 /nfs/dbraw/zinc/37/39/80/323373980.db2.gz MOGRDVWYCNXGLX-ROUUACIJSA-N 2 2 347.484 2.377 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000580300061 324033995 /nfs/dbraw/zinc/03/39/95/324033995.db2.gz IWKXGKKIQJORDI-IBGZPJMESA-N 2 2 339.443 2.157 10 0 EEAELP OCCNc1nc(N2CCC[C@@H](n3cc[nH+]c3)C2)[nH+]c2ccccc21 ZINC000608082918 449745382 /nfs/dbraw/zinc/74/53/82/449745382.db2.gz QAONWZKQWMMAFI-CQSZACIVSA-N 2 2 338.415 2.072 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H]1n1cc[nH+]c1 ZINC000125708343 463570436 /nfs/dbraw/zinc/57/04/36/463570436.db2.gz AAXMMWVVVNXLBB-BHIYHBOVSA-N 2 2 340.471 2.466 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339285116 465188853 /nfs/dbraw/zinc/18/88/53/465188853.db2.gz SUEKQPBRBWAASL-BRSBDYLESA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000339285116 465188856 /nfs/dbraw/zinc/18/88/56/465188856.db2.gz SUEKQPBRBWAASL-BRSBDYLESA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000339285116 465188861 /nfs/dbraw/zinc/18/88/61/465188861.db2.gz SUEKQPBRBWAASL-BRSBDYLESA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000339285116 465188867 /nfs/dbraw/zinc/18/88/67/465188867.db2.gz SUEKQPBRBWAASL-BRSBDYLESA-N 2 2 339.524 2.065 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+]2CCC1CC2)Cc1ccccc1Cl ZINC000339341153 465213682 /nfs/dbraw/zinc/21/36/82/465213682.db2.gz CELJKJJYXUQXTA-UHFFFAOYSA-N 2 2 335.879 2.469 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+]2CCC1CC2)Cc1ccccc1Cl ZINC000339341153 465213686 /nfs/dbraw/zinc/21/36/86/465213686.db2.gz CELJKJJYXUQXTA-UHFFFAOYSA-N 2 2 335.879 2.469 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000347858267 465268595 /nfs/dbraw/zinc/26/85/95/465268595.db2.gz PNTSEZJRNMKJGM-CQSZACIVSA-N 2 2 336.505 2.039 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)s1 ZINC000347858267 465268598 /nfs/dbraw/zinc/26/85/98/465268598.db2.gz PNTSEZJRNMKJGM-CQSZACIVSA-N 2 2 336.505 2.039 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](F)(c3ccccc3C)C2)CC1 ZINC000337430739 465366152 /nfs/dbraw/zinc/36/61/52/465366152.db2.gz YWFANBLZSNVYJK-FQEVSTJZSA-N 2 2 347.478 2.466 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](F)(c3ccccc3C)C2)CC1 ZINC000337430739 465366160 /nfs/dbraw/zinc/36/61/60/465366160.db2.gz YWFANBLZSNVYJK-FQEVSTJZSA-N 2 2 347.478 2.466 10 0 EEAELP Cc1nc(N(C)C)nc(NCc2ccccc2C[N@@H+](C)C(C)C)[nH+]1 ZINC000359194038 465384305 /nfs/dbraw/zinc/38/43/05/465384305.db2.gz WSGYNRPULFIBHX-UHFFFAOYSA-N 2 2 328.464 2.698 10 0 EEAELP Cc1nc(N(C)C)nc(NCc2ccccc2C[N@H+](C)C(C)C)[nH+]1 ZINC000359194038 465384312 /nfs/dbraw/zinc/38/43/12/465384312.db2.gz WSGYNRPULFIBHX-UHFFFAOYSA-N 2 2 328.464 2.698 10 0 EEAELP Cc1nc(NCc2ccccc2C[N@@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000359194038 465384320 /nfs/dbraw/zinc/38/43/20/465384320.db2.gz WSGYNRPULFIBHX-UHFFFAOYSA-N 2 2 328.464 2.698 10 0 EEAELP Cc1nc(NCc2ccccc2C[N@H+](C)C(C)C)nc(N(C)C)[nH+]1 ZINC000359194038 465384330 /nfs/dbraw/zinc/38/43/30/465384330.db2.gz WSGYNRPULFIBHX-UHFFFAOYSA-N 2 2 328.464 2.698 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000046287794 462668210 /nfs/dbraw/zinc/66/82/10/462668210.db2.gz CBPLYWKNXUZRIS-QGZVFWFLSA-N 2 2 347.507 2.457 10 0 EEAELP Cc1ccc([C@H](CNC(=O)N2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)o1 ZINC000089652506 462704446 /nfs/dbraw/zinc/70/44/46/462704446.db2.gz JSFUNBWFXJCXCJ-KRWDZBQOSA-N 2 2 346.475 2.215 10 0 EEAELP c1ccc(Cn2nnnc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047969528 462842979 /nfs/dbraw/zinc/84/29/79/462842979.db2.gz MAOKBRLMKNNTPV-UHFFFAOYSA-N 2 2 340.475 2.029 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCc1c[nH+]c3n1CCCC3)C2 ZINC000552443581 468328945 /nfs/dbraw/zinc/32/89/45/468328945.db2.gz UUBHSIZIMNHYGF-CYBMUJFWSA-N 2 2 341.459 2.487 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCc1c[nH+]c3n1CCCC3)CC2 ZINC000552443581 468328949 /nfs/dbraw/zinc/32/89/49/468328949.db2.gz UUBHSIZIMNHYGF-CYBMUJFWSA-N 2 2 341.459 2.487 10 0 EEAELP Cc1[nH+]ccn1CCNc1ccc([NH+]2CCCCC2)cc1C(N)=O ZINC000095468704 463090485 /nfs/dbraw/zinc/09/04/85/463090485.db2.gz QYZIJNZIOURTCL-UHFFFAOYSA-N 2 2 327.432 2.393 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@@H]1Cn1cccn1 ZINC000069706168 463308263 /nfs/dbraw/zinc/30/82/63/463308263.db2.gz IIMHUQDZXUDPNC-WOJBJXKFSA-N 2 2 342.487 2.231 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@@H]1Cn1cccn1 ZINC000069706168 463308267 /nfs/dbraw/zinc/30/82/67/463308267.db2.gz IIMHUQDZXUDPNC-WOJBJXKFSA-N 2 2 342.487 2.231 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069706168 463308271 /nfs/dbraw/zinc/30/82/71/463308271.db2.gz IIMHUQDZXUDPNC-WOJBJXKFSA-N 2 2 342.487 2.231 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000069706168 463308276 /nfs/dbraw/zinc/30/82/76/463308276.db2.gz IIMHUQDZXUDPNC-WOJBJXKFSA-N 2 2 342.487 2.231 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000081095467 463394235 /nfs/dbraw/zinc/39/42/35/463394235.db2.gz QNJAQHWTNCWPPU-NXHRZFHOSA-N 2 2 345.487 2.289 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000081095467 463394239 /nfs/dbraw/zinc/39/42/39/463394239.db2.gz QNJAQHWTNCWPPU-NXHRZFHOSA-N 2 2 345.487 2.289 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000081095467 463394245 /nfs/dbraw/zinc/39/42/45/463394245.db2.gz QNJAQHWTNCWPPU-NXHRZFHOSA-N 2 2 345.487 2.289 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)[C@H](C)C1 ZINC000081095467 463394249 /nfs/dbraw/zinc/39/42/49/463394249.db2.gz QNJAQHWTNCWPPU-NXHRZFHOSA-N 2 2 345.487 2.289 10 0 EEAELP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000081283287 463412898 /nfs/dbraw/zinc/41/28/98/463412898.db2.gz QBAQKIPYBXMOCT-WDSOQIARSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000081283287 463412903 /nfs/dbraw/zinc/41/29/03/463412903.db2.gz QBAQKIPYBXMOCT-WDSOQIARSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000081283287 463412909 /nfs/dbraw/zinc/41/29/09/463412909.db2.gz QBAQKIPYBXMOCT-WDSOQIARSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000081283287 463412914 /nfs/dbraw/zinc/41/29/14/463412914.db2.gz QBAQKIPYBXMOCT-WDSOQIARSA-N 2 2 345.487 2.001 10 0 EEAELP C[C@@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)C[NH+]1CCCCC1 ZINC000057041349 463447386 /nfs/dbraw/zinc/44/73/86/463447386.db2.gz UWEUUPVVMZVUBH-HNNXBMFYSA-N 2 2 333.480 2.069 10 0 EEAELP O=C(Cn1cc[nH+]c1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000073054712 463579530 /nfs/dbraw/zinc/57/95/30/463579530.db2.gz BKVIANJLOBHJGD-UHFFFAOYSA-N 2 2 339.443 2.054 10 0 EEAELP Cc1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C1)CN2 ZINC000058332739 463580853 /nfs/dbraw/zinc/58/08/53/463580853.db2.gz VIIKLDPLAOZBQS-ZWKOTPCHSA-N 2 2 325.460 2.097 10 0 EEAELP 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ZINC000423940532 466921912 /nfs/dbraw/zinc/92/19/12/466921912.db2.gz NQTQQECBHIYBCN-RTBURBONSA-N 2 2 345.487 2.008 10 0 EEAELP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423940532 466921915 /nfs/dbraw/zinc/92/19/15/466921915.db2.gz NQTQQECBHIYBCN-RTBURBONSA-N 2 2 345.487 2.008 10 0 EEAELP Cc1ccc([C@H](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000377977408 467174823 /nfs/dbraw/zinc/17/48/23/467174823.db2.gz MSDQSEAMDSJFDF-QAPCUYQASA-N 2 2 341.459 2.178 10 0 EEAELP c1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc(NC2CC2)[nH+]1 ZINC000413210844 467190734 /nfs/dbraw/zinc/19/07/34/467190734.db2.gz WJAHIPVMYYFGSQ-INIZCTEOSA-N 2 2 331.464 2.132 10 0 EEAELP c1nc(NC2CC2)cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000413210844 467190736 /nfs/dbraw/zinc/19/07/36/467190736.db2.gz WJAHIPVMYYFGSQ-INIZCTEOSA-N 2 2 331.464 2.132 10 0 EEAELP CC[N@@H+]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000428697762 467260330 /nfs/dbraw/zinc/26/03/30/467260330.db2.gz CAIMKGNUYKYIDA-UHFFFAOYSA-N 2 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ZINC000584351471 468852938 /nfs/dbraw/zinc/85/29/38/468852938.db2.gz KMOPULHSVTVPOQ-QUCCMNQESA-N 2 2 327.472 2.256 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000584719276 468921184 /nfs/dbraw/zinc/92/11/84/468921184.db2.gz NAOQDSVOYLJXTM-RHSMWYFYSA-N 2 2 341.377 2.107 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000584719276 468921190 /nfs/dbraw/zinc/92/11/90/468921190.db2.gz NAOQDSVOYLJXTM-RHSMWYFYSA-N 2 2 341.377 2.107 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1(C)C ZINC000573933566 469232702 /nfs/dbraw/zinc/23/27/02/469232702.db2.gz HRFSAMMPQHRSTQ-UHFFFAOYSA-N 2 2 349.385 2.371 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1(C)C ZINC000573933566 469232706 /nfs/dbraw/zinc/23/27/06/469232706.db2.gz HRFSAMMPQHRSTQ-UHFFFAOYSA-N 2 2 349.385 2.371 10 0 EEAELP COc1ccc([C@@H](CNc2nc(C)[nH+]cc2C)[NH+](C)C)cc1OC ZINC000574291483 469272027 /nfs/dbraw/zinc/27/20/27/469272027.db2.gz 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UKGWZTSIBGODGS-UHFFFAOYSA-N 2 2 349.504 2.060 10 0 EEAELP Cc1nc(-c2c[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2)cs1 ZINC000617768210 469799339 /nfs/dbraw/zinc/79/93/39/469799339.db2.gz UKGWZTSIBGODGS-UHFFFAOYSA-N 2 2 349.504 2.060 10 0 EEAELP CC1(C)[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@@H]1Oc1ccccc1 ZINC000624086596 469836896 /nfs/dbraw/zinc/83/68/96/469836896.db2.gz NKBYHWNSPGYCPY-BZSNNMDCSA-N 2 2 345.487 2.162 10 0 EEAELP CC1(C)[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)C[C@@H]1Oc1ccccc1 ZINC000624086596 469836900 /nfs/dbraw/zinc/83/69/00/469836900.db2.gz NKBYHWNSPGYCPY-BZSNNMDCSA-N 2 2 345.487 2.162 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000624133741 469851022 /nfs/dbraw/zinc/85/10/22/469851022.db2.gz VPHGFJAKTGTERF-MFKMUULPSA-N 2 2 328.254 2.425 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000624133741 469851031 /nfs/dbraw/zinc/85/10/31/469851031.db2.gz VPHGFJAKTGTERF-MFKMUULPSA-N 2 2 328.254 2.425 10 0 EEAELP CC(C)(C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)c1c[nH]c[nH+]1 ZINC000617975083 469861416 /nfs/dbraw/zinc/86/14/16/469861416.db2.gz HBTXIAOWEVLVIM-UHFFFAOYSA-N 2 2 341.459 2.111 10 0 EEAELP Cc1ccc(Br)cc1[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230570 469881547 /nfs/dbraw/zinc/88/15/47/469881547.db2.gz AGOLAHBRINGEEP-GXTWGEPZSA-N 2 2 327.266 2.475 10 0 EEAELP Cc1ccc(Br)cc1[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230570 469881550 /nfs/dbraw/zinc/88/15/50/469881550.db2.gz AGOLAHBRINGEEP-GXTWGEPZSA-N 2 2 327.266 2.475 10 0 EEAELP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000620915456 469950468 /nfs/dbraw/zinc/95/04/68/469950468.db2.gz KYLUEFSAPSPZDV-MRXNPFEDSA-N 2 2 342.443 2.050 10 0 EEAELP CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631127065 470075367 /nfs/dbraw/zinc/07/53/67/470075367.db2.gz NJWNNULUMQNSCJ-PMACEKPBSA-N 2 2 348.487 2.445 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)CC2 ZINC000625190642 470092576 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2 2 328.416 2.319 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885447 470189258 /nfs/dbraw/zinc/18/92/58/470189258.db2.gz AORASHODCNHMAJ-BPQIPLTHSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885447 470189259 /nfs/dbraw/zinc/18/92/59/470189259.db2.gz AORASHODCNHMAJ-BPQIPLTHSA-N 2 2 327.472 2.428 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887313 470189406 /nfs/dbraw/zinc/18/94/06/470189406.db2.gz MXMOSQOZSDIGDH-BQFCYCMXSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887313 470189407 /nfs/dbraw/zinc/18/94/07/470189407.db2.gz MXMOSQOZSDIGDH-BQFCYCMXSA-N 2 2 345.487 2.289 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887123 470189461 /nfs/dbraw/zinc/18/94/61/470189461.db2.gz OANFMEZUKAWXLL-QGPMSJSTSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887123 470189462 /nfs/dbraw/zinc/18/94/62/470189462.db2.gz OANFMEZUKAWXLL-QGPMSJSTSA-N 2 2 333.451 2.419 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888309 470189595 /nfs/dbraw/zinc/18/95/95/470189595.db2.gz UZCCQVIOMZLXEK-MJGOQNOKSA-N 2 2 345.487 2.166 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888309 470189596 /nfs/dbraw/zinc/18/95/96/470189596.db2.gz UZCCQVIOMZLXEK-MJGOQNOKSA-N 2 2 345.487 2.166 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccc(F)cc1 ZINC000631888022 470189649 /nfs/dbraw/zinc/18/96/49/470189649.db2.gz SKMOLMGVJIYDGW-PBHICJAKSA-N 2 2 340.464 2.063 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccc(F)cc1 ZINC000631888022 470189650 /nfs/dbraw/zinc/18/96/50/470189650.db2.gz SKMOLMGVJIYDGW-PBHICJAKSA-N 2 2 340.464 2.063 10 0 EEAELP [NH3+][C@H]1CC=C(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000634554829 470266275 /nfs/dbraw/zinc/26/62/75/470266275.db2.gz PYKGLYCJVYBMRM-INIZCTEOSA-N 2 2 326.400 2.073 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2(CCC2)CO1 ZINC000649822326 470708209 /nfs/dbraw/zinc/70/82/09/470708209.db2.gz CUBHECFJVCSXNQ-SJLPKXTDSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2(CCC2)CO1 ZINC000649822326 470708214 /nfs/dbraw/zinc/70/82/14/470708214.db2.gz CUBHECFJVCSXNQ-SJLPKXTDSA-N 2 2 345.487 2.049 10 0 EEAELP CCOc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1 ZINC000643962063 470827261 /nfs/dbraw/zinc/82/72/61/470827261.db2.gz MSROPGPFYMPCNV-BBWFWOEESA-N 2 2 334.460 2.041 10 0 EEAELP CCOc1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1 ZINC000643962063 470827262 /nfs/dbraw/zinc/82/72/62/470827262.db2.gz MSROPGPFYMPCNV-BBWFWOEESA-N 2 2 334.460 2.041 10 0 EEAELP C[NH+]1CCN(c2ccc(NCc3ccnn3-c3ccccn3)[nH+]c2)CC1 ZINC000647173948 470848274 /nfs/dbraw/zinc/84/82/74/470848274.db2.gz GWMKTTMRSDPOPU-UHFFFAOYSA-N 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CCCn1nccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000657293511 471087088 /nfs/dbraw/zinc/08/70/88/471087088.db2.gz PCIOXHIXJPORQG-UHFFFAOYSA-N 2 2 328.460 2.415 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)n1-c1ccccc1 ZINC000657637928 471195322 /nfs/dbraw/zinc/19/53/22/471195322.db2.gz LWJBWHUCSQIUPY-HIFRSBDPSA-N 2 2 333.457 2.236 10 0 EEAELP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000657802345 471236170 /nfs/dbraw/zinc/23/61/70/471236170.db2.gz ZAEJZHCYNKXZAP-SLFFLAALSA-N 2 2 331.504 2.350 10 0 EEAELP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000657802345 471236173 /nfs/dbraw/zinc/23/61/73/471236173.db2.gz ZAEJZHCYNKXZAP-SLFFLAALSA-N 2 2 331.504 2.350 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000652158308 471246925 /nfs/dbraw/zinc/24/69/25/471246925.db2.gz YVUPSQLYLZUSDL-UHFFFAOYSA-N 2 2 329.448 2.258 10 0 EEAELP CN(C(=O)NCCC1(C[NH3+])CC1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000652233573 471260237 /nfs/dbraw/zinc/26/02/37/471260237.db2.gz AOAOSXJNXBKVAY-OAHLLOKOSA-N 2 2 327.432 2.270 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655468644 471340114 /nfs/dbraw/zinc/34/01/14/471340114.db2.gz ZQCHLUZELLEQGR-ZTNFWEORSA-N 2 2 345.462 2.421 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C[C@H]3CCOC3(C)C)c2cc1C ZINC000663371520 471343727 /nfs/dbraw/zinc/34/37/27/471343727.db2.gz UIOVTMAEYZNAPW-CVEARBPZSA-N 2 2 331.460 2.419 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663390564 471353471 /nfs/dbraw/zinc/35/34/71/471353471.db2.gz OLLWQLRDUJHFIY-HNNXBMFYSA-N 2 2 333.480 2.114 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663390564 471353477 /nfs/dbraw/zinc/35/34/77/471353477.db2.gz OLLWQLRDUJHFIY-HNNXBMFYSA-N 2 2 333.480 2.114 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000666333827 471361523 /nfs/dbraw/zinc/36/15/23/471361523.db2.gz QJQHJYAZTJDJJF-QAPCUYQASA-N 2 2 332.492 2.387 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000666333827 471361527 /nfs/dbraw/zinc/36/15/27/471361527.db2.gz QJQHJYAZTJDJJF-QAPCUYQASA-N 2 2 332.492 2.387 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@@H+]3CCOC[C@@H]3C)c2cc1OC ZINC000663544504 471419107 /nfs/dbraw/zinc/41/91/07/471419107.db2.gz KAHJQWDLRNJDJO-ZDUSSCGKSA-N 2 2 331.416 2.385 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@H+]3CCOC[C@@H]3C)c2cc1OC ZINC000663544504 471419111 /nfs/dbraw/zinc/41/91/11/471419111.db2.gz KAHJQWDLRNJDJO-ZDUSSCGKSA-N 2 2 331.416 2.385 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000658950187 471446619 /nfs/dbraw/zinc/44/66/19/471446619.db2.gz OMZAGNWNUXSYDR-IAOVAPTHSA-N 2 2 330.407 2.317 10 0 EEAELP c1c(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)nn2c1CCCC2 ZINC000655712013 471453421 /nfs/dbraw/zinc/45/34/21/471453421.db2.gz NRGMLABHMDERIQ-UHFFFAOYSA-N 2 2 325.460 2.369 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000666662707 471487055 /nfs/dbraw/zinc/48/70/55/471487055.db2.gz FOLIEXWKRGAIJG-OAHLLOKOSA-N 2 2 331.464 2.124 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000666662707 471487060 /nfs/dbraw/zinc/48/70/60/471487060.db2.gz FOLIEXWKRGAIJG-OAHLLOKOSA-N 2 2 331.464 2.124 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000669540613 471541643 /nfs/dbraw/zinc/54/16/43/471541643.db2.gz PRIPRQAVVMXBEV-FUHWJXTLSA-N 2 2 341.459 2.245 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902458 471544779 /nfs/dbraw/zinc/54/47/79/471544779.db2.gz KTFIQDJHVFJWHS-RBUKOAKNSA-N 2 2 332.488 2.347 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902458 471544782 /nfs/dbraw/zinc/54/47/82/471544782.db2.gz KTFIQDJHVFJWHS-RBUKOAKNSA-N 2 2 332.488 2.347 10 0 EEAELP Cc1cccc([C@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664206876 471677791 /nfs/dbraw/zinc/67/77/91/471677791.db2.gz OEPLYZREZWPLKN-QGZVFWFLSA-N 2 2 334.508 2.281 10 0 EEAELP Cc1cccc([C@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664206876 471677795 /nfs/dbraw/zinc/67/77/95/471677795.db2.gz OEPLYZREZWPLKN-QGZVFWFLSA-N 2 2 334.508 2.281 10 0 EEAELP CCc1nn(C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000656789837 471841986 /nfs/dbraw/zinc/84/19/86/471841986.db2.gz AJWJHUWAUDIKLV-IEBWSBKVSA-N 2 2 328.460 2.226 10 0 EEAELP Cc1ccccc1[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000664810519 471867642 /nfs/dbraw/zinc/86/76/42/471867642.db2.gz OYGWDXAIALBJNR-IYARVYRRSA-N 2 2 346.519 2.424 10 0 EEAELP Cc1ccccc1[C@H]1C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000664810519 471867647 /nfs/dbraw/zinc/86/76/47/471867647.db2.gz OYGWDXAIALBJNR-IYARVYRRSA-N 2 2 346.519 2.424 10 0 EEAELP C[C@H](NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)c1[nH+]ccn1C ZINC000664867626 471884175 /nfs/dbraw/zinc/88/41/75/471884175.db2.gz UBOHXZPUZUCITL-OFQRWUPVSA-N 2 2 329.448 2.472 10 0 EEAELP CC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccccc1F ZINC000665222825 471972110 /nfs/dbraw/zinc/97/21/10/471972110.db2.gz NYHPAPRYJPGSLG-KRWDZBQOSA-N 2 2 338.471 2.460 10 0 EEAELP CC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccccc1F ZINC000665222825 471972115 /nfs/dbraw/zinc/97/21/15/471972115.db2.gz NYHPAPRYJPGSLG-KRWDZBQOSA-N 2 2 338.471 2.460 10 0 EEAELP O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668141258 472025043 /nfs/dbraw/zinc/02/50/43/472025043.db2.gz ZTXIDQZVVLZQES-GFCCVEGCSA-N 2 2 344.381 2.110 10 0 EEAELP O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668141258 472025046 /nfs/dbraw/zinc/02/50/46/472025046.db2.gz ZTXIDQZVVLZQES-GFCCVEGCSA-N 2 2 344.381 2.110 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](CC(F)(F)F)C2)CC1 ZINC000662228524 472036997 /nfs/dbraw/zinc/03/69/97/472036997.db2.gz GPGRFOHWILVNLH-OAHLLOKOSA-N 2 2 337.430 2.056 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](CC(F)(F)F)C2)CC1 ZINC000662228524 472037000 /nfs/dbraw/zinc/03/70/00/472037000.db2.gz GPGRFOHWILVNLH-OAHLLOKOSA-N 2 2 337.430 2.056 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C1 ZINC000668739917 472248203 /nfs/dbraw/zinc/24/82/03/472248203.db2.gz CZTRYVWURLUWAM-GOSISDBHSA-N 2 2 344.434 2.247 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C1 ZINC000668739917 472248209 /nfs/dbraw/zinc/24/82/09/472248209.db2.gz CZTRYVWURLUWAM-GOSISDBHSA-N 2 2 344.434 2.247 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc3c2OCCCO3)CCO1 ZINC000668786251 472266103 /nfs/dbraw/zinc/26/61/03/472266103.db2.gz XOTSHBQMSNNQIZ-KRWDZBQOSA-N 2 2 334.460 2.391 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CCO1 ZINC000668786251 472266108 /nfs/dbraw/zinc/26/61/08/472266108.db2.gz XOTSHBQMSNNQIZ-KRWDZBQOSA-N 2 2 334.460 2.391 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@H](F)C3)CC2)c1 ZINC000679218435 485620460 /nfs/dbraw/zinc/62/04/60/485620460.db2.gz LZAKHBGWLWIHMT-IEBWSBKVSA-N 2 2 347.478 2.319 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@H](F)C3)CC2)c1 ZINC000679218435 485620466 /nfs/dbraw/zinc/62/04/66/485620466.db2.gz LZAKHBGWLWIHMT-IEBWSBKVSA-N 2 2 347.478 2.319 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CC[N@@H+]1C ZINC000631409601 485792710 /nfs/dbraw/zinc/79/27/10/485792710.db2.gz PETXSDKCXGIQPZ-PKOBYXMFSA-N 2 2 345.487 2.496 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CC[N@H+]1C ZINC000631409601 485792715 /nfs/dbraw/zinc/79/27/15/485792715.db2.gz PETXSDKCXGIQPZ-PKOBYXMFSA-N 2 2 345.487 2.496 10 0 EEAELP O=C(NCc1ccn2cc[nH+]c2c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675569426 486019739 /nfs/dbraw/zinc/01/97/39/486019739.db2.gz QUQRPOAAPKUFQV-UHFFFAOYSA-N 2 2 333.355 2.237 10 0 EEAELP CC(=O)N1CCC([NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000675921545 486096955 /nfs/dbraw/zinc/09/69/55/486096955.db2.gz YQHSSHQXXJYZLS-SFHVURJKSA-N 2 2 326.444 2.304 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613543 486161331 /nfs/dbraw/zinc/16/13/31/486161331.db2.gz JJGAEIYCGNJNTE-ZWKOTPCHSA-N 2 2 348.878 2.276 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613543 486161338 /nfs/dbraw/zinc/16/13/38/486161338.db2.gz JJGAEIYCGNJNTE-ZWKOTPCHSA-N 2 2 348.878 2.276 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613543 486161345 /nfs/dbraw/zinc/16/13/45/486161345.db2.gz JJGAEIYCGNJNTE-ZWKOTPCHSA-N 2 2 348.878 2.276 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613543 486161355 /nfs/dbraw/zinc/16/13/55/486161355.db2.gz JJGAEIYCGNJNTE-ZWKOTPCHSA-N 2 2 348.878 2.276 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000673041277 486260231 /nfs/dbraw/zinc/26/02/31/486260231.db2.gz ITJMZDMWJLJMTG-DOTOQJQBSA-N 2 2 332.835 2.178 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000673041277 486260236 /nfs/dbraw/zinc/26/02/36/486260236.db2.gz ITJMZDMWJLJMTG-DOTOQJQBSA-N 2 2 332.835 2.178 10 0 EEAELP C[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)Cn1cc[nH+]c1 ZINC000416167259 533890172 /nfs/dbraw/zinc/89/01/72/533890172.db2.gz QULXDGXOGGKXNW-INIZCTEOSA-N 2 2 326.444 2.084 10 0 EEAELP C[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)Cn1cc[nH+]c1 ZINC000416167259 533890185 /nfs/dbraw/zinc/89/01/85/533890185.db2.gz QULXDGXOGGKXNW-INIZCTEOSA-N 2 2 326.444 2.084 10 0 EEAELP CC1(C)OCc2cc(C[NH2+]C[C@H](O)C[NH+]3CCCCC3)ccc2O1 ZINC000187142166 527814033 /nfs/dbraw/zinc/81/40/33/527814033.db2.gz PUGPLSAWPFMLNI-KRWDZBQOSA-N 2 2 334.460 2.268 10 0 EEAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)[C@H]1c1cccs1 ZINC000775392553 577436491 /nfs/dbraw/zinc/43/64/91/577436491.db2.gz JPFYAIDLUVDUFK-FMKPAKJESA-N 2 2 342.530 2.298 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc[nH]1 ZINC000760353435 577661348 /nfs/dbraw/zinc/66/13/48/577661348.db2.gz DESHVUBYTXPSDP-VPSFDDGASA-N 2 2 345.491 2.028 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccc[nH]1 ZINC000760353435 577661349 /nfs/dbraw/zinc/66/13/49/577661349.db2.gz DESHVUBYTXPSDP-VPSFDDGASA-N 2 2 345.491 2.028 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000756079748 577837940 /nfs/dbraw/zinc/83/79/40/577837940.db2.gz IAECHEMVYJWBPW-UHFFFAOYSA-N 2 2 341.440 2.320 10 0 EEAELP CCCCOc1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000925966512 674970599 /nfs/dbraw/zinc/97/05/99/674970599.db2.gz UIBSXKTVYZRCRA-UHFFFAOYSA-N 2 2 334.464 2.410 10 0 EEAELP Brc1cnn(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000926415232 678510179 /nfs/dbraw/zinc/51/01/79/678510179.db2.gz QGBJESZDKZKDGK-UONOGXRCSA-N 2 2 327.270 2.252 10 0 EEAELP Brc1cnn(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000926415232 678510182 /nfs/dbraw/zinc/51/01/82/678510182.db2.gz QGBJESZDKZKDGK-UONOGXRCSA-N 2 2 327.270 2.252 10 0 EEAELP O=C(NCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cccc(O)c1 ZINC000924899382 681331519 /nfs/dbraw/zinc/33/15/19/681331519.db2.gz VUBDFCDNCVMJAT-ZWKOTPCHSA-N 2 2 331.460 2.119 10 0 EEAELP O=C(NCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1cccc(O)c1 ZINC000924899382 681331521 /nfs/dbraw/zinc/33/15/21/681331521.db2.gz VUBDFCDNCVMJAT-ZWKOTPCHSA-N 2 2 331.460 2.119 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000894637127 683007337 /nfs/dbraw/zinc/00/73/37/683007337.db2.gz RCKHPGCFJLRLOP-UHFFFAOYSA-N 2 2 341.367 2.112 10 0 EEAELP C[NH+](C)Cc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c2c1OC(F)(F)O2 ZINC000894866043 683238086 /nfs/dbraw/zinc/23/80/86/683238086.db2.gz FVUUYTIHHLJFAN-AWEZNQCLSA-N 2 2 342.386 2.417 10 0 EEAELP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@H](O)CC2)c2c1OC(F)(F)O2 ZINC000894866043 683238091 /nfs/dbraw/zinc/23/80/91/683238091.db2.gz FVUUYTIHHLJFAN-AWEZNQCLSA-N 2 2 342.386 2.417 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cnc(N3CCCC3)nc2)CCN1c1cc[nH+]cc1 ZINC000895558534 684642104 /nfs/dbraw/zinc/64/21/04/684642104.db2.gz XMUSQJAHPOXGJQ-MRXNPFEDSA-N 2 2 338.459 2.183 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cnc(N3CCCC3)nc2)CCN1c1cc[nH+]cc1 ZINC000895558534 684642106 /nfs/dbraw/zinc/64/21/06/684642106.db2.gz XMUSQJAHPOXGJQ-MRXNPFEDSA-N 2 2 338.459 2.183 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C\C=C(Cl)Cl)C2)CC1 ZINC000896326326 684944235 /nfs/dbraw/zinc/94/42/35/684944235.db2.gz YDKHOJKGNMDYAL-QQHVMHFCSA-N 2 2 332.275 2.146 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C\C=C(Cl)Cl)C2)CC1 ZINC000896326326 684944238 /nfs/dbraw/zinc/94/42/38/684944238.db2.gz YDKHOJKGNMDYAL-QQHVMHFCSA-N 2 2 332.275 2.146 10 0 EEAELP Brc1ccc(/C=C\CC[NH2+][C@H]2C[NH2+]CCOC2)cc1 ZINC000925723667 687403031 /nfs/dbraw/zinc/40/30/31/687403031.db2.gz SZFFEJLTKJENJI-BGGTVIOKSA-N 2 2 325.250 2.430 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000322261393 691690417 /nfs/dbraw/zinc/69/04/17/691690417.db2.gz NBIJOIXLVOFZOB-UHFFFAOYSA-N 2 2 330.354 2.250 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570801 1191840183 /nfs/dbraw/zinc/84/01/83/1191840183.db2.gz GMIJSMVUHKAWHN-GDBMZVCRSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570801 1191840185 /nfs/dbraw/zinc/84/01/85/1191840185.db2.gz GMIJSMVUHKAWHN-GDBMZVCRSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570801 1191840187 /nfs/dbraw/zinc/84/01/87/1191840187.db2.gz GMIJSMVUHKAWHN-GDBMZVCRSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570801 1191840189 /nfs/dbraw/zinc/84/01/89/1191840189.db2.gz GMIJSMVUHKAWHN-GDBMZVCRSA-N 2 2 348.491 2.355 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001485700368 1191904936 /nfs/dbraw/zinc/90/49/36/1191904936.db2.gz KEMKPLGQVOBTSD-HAQNSBGRSA-N 2 2 332.370 2.169 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740421 1191917194 /nfs/dbraw/zinc/91/71/94/1191917194.db2.gz NINNDZYTPBTKRO-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](CCNC(=O)Cn2cc[nH+]c2)C(C)C)s1 ZINC001485793120 1191955381 /nfs/dbraw/zinc/95/53/81/1191955381.db2.gz LZFMDIFQCUXFHB-OAHLLOKOSA-N 2 2 349.504 2.277 10 0 EEAELP Cc1conc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001266244460 1176013334 /nfs/dbraw/zinc/01/33/34/1176013334.db2.gz PTJMUOCVIYNHFU-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1conc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001266244460 1176013343 /nfs/dbraw/zinc/01/33/43/1176013343.db2.gz PTJMUOCVIYNHFU-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc2ccccc2s1 ZINC001691002836 1176478965 /nfs/dbraw/zinc/47/89/65/1176478965.db2.gz VIHJPEHNJDHJGH-UHFFFAOYSA-N 2 2 328.441 2.346 10 0 EEAELP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc2ccccc2s1 ZINC001691002836 1176478969 /nfs/dbraw/zinc/47/89/69/1176478969.db2.gz VIHJPEHNJDHJGH-UHFFFAOYSA-N 2 2 328.441 2.346 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001266439787 1176537397 /nfs/dbraw/zinc/53/73/97/1176537397.db2.gz WTONPKZDJNLYNW-SFHVURJKSA-N 2 2 330.476 2.338 10 0 EEAELP CCc1nc(C)c(C[N@H+](C)CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001480879635 1176679316 /nfs/dbraw/zinc/67/93/16/1176679316.db2.gz MDFNNZNIBFBDBA-CVEARBPZSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1nc(C)c(C[N@@H+](C)CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001480879635 1176679322 /nfs/dbraw/zinc/67/93/22/1176679322.db2.gz MDFNNZNIBFBDBA-CVEARBPZSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1nc(C)c(C[NH+](C)CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001480879635 1176679330 /nfs/dbraw/zinc/67/93/30/1176679330.db2.gz MDFNNZNIBFBDBA-CVEARBPZSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1nc(C)c(C[NH+](C)CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)o1 ZINC001480879635 1176679333 /nfs/dbraw/zinc/67/93/33/1176679333.db2.gz MDFNNZNIBFBDBA-CVEARBPZSA-N 2 2 348.491 2.110 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001266610153 1176968251 /nfs/dbraw/zinc/96/82/51/1176968251.db2.gz KRROFUGNYBQRIQ-IYARVYRRSA-N 2 2 344.434 2.282 10 0 EEAELP Cc1ncsc1CC[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266744441 1177335951 /nfs/dbraw/zinc/33/59/51/1177335951.db2.gz RCDLPPUCNQNLMY-UHFFFAOYSA-N 2 2 343.456 2.232 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001266870891 1177660926 /nfs/dbraw/zinc/66/09/26/1177660926.db2.gz VQVVIIOCGVNKHM-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001266870891 1177660931 /nfs/dbraw/zinc/66/09/31/1177660931.db2.gz VQVVIIOCGVNKHM-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267048716 1178149173 /nfs/dbraw/zinc/14/91/73/1178149173.db2.gz ZHSJDXDAAAIIKR-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC1CC(C)(C)C1 ZINC001480984385 1179425819 /nfs/dbraw/zinc/42/58/19/1179425819.db2.gz YHNRNCDVSJTIMB-INIZCTEOSA-N 2 2 332.492 2.320 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC1CC(C)(C)C1 ZINC001480984385 1179425822 /nfs/dbraw/zinc/42/58/22/1179425822.db2.gz YHNRNCDVSJTIMB-INIZCTEOSA-N 2 2 332.492 2.320 10 0 EEAELP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC001480991287 1179440486 /nfs/dbraw/zinc/44/04/86/1179440486.db2.gz RVWLBEJFMRITSN-SFHVURJKSA-N 2 2 326.444 2.399 10 0 EEAELP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC001480991287 1179440490 /nfs/dbraw/zinc/44/04/90/1179440490.db2.gz RVWLBEJFMRITSN-SFHVURJKSA-N 2 2 326.444 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC001481073262 1179676115 /nfs/dbraw/zinc/67/61/15/1179676115.db2.gz JHRFZCAYZSAGPV-GOSISDBHSA-N 2 2 326.444 2.097 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CCCc1ccccc1 ZINC001481073262 1179676118 /nfs/dbraw/zinc/67/61/18/1179676118.db2.gz JHRFZCAYZSAGPV-GOSISDBHSA-N 2 2 326.444 2.097 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001481102371 1179741569 /nfs/dbraw/zinc/74/15/69/1179741569.db2.gz KUOUKOATLSWMER-APWZRJJASA-N 2 2 338.455 2.399 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001481102371 1179741573 /nfs/dbraw/zinc/74/15/73/1179741573.db2.gz KUOUKOATLSWMER-APWZRJJASA-N 2 2 338.455 2.399 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]Cc1cccc(Cl)n1)n1cc[nH+]c1 ZINC001481286041 1180851242 /nfs/dbraw/zinc/85/12/42/1180851242.db2.gz ZODKWIUZYPACFW-ZDUSSCGKSA-N 2 2 335.839 2.131 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001481287193 1180865011 /nfs/dbraw/zinc/86/50/11/1180865011.db2.gz FOEXTBFWHCUNIW-INIZCTEOSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)o1 ZINC001481287193 1180865018 /nfs/dbraw/zinc/86/50/18/1180865018.db2.gz FOEXTBFWHCUNIW-INIZCTEOSA-N 2 2 336.480 2.048 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268077433 1181686570 /nfs/dbraw/zinc/68/65/70/1181686570.db2.gz YQLWJPHCYFOMRJ-CYBMUJFWSA-N 2 2 349.866 2.038 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C[NH2+]CCC1CC1 ZINC001268187921 1181977471 /nfs/dbraw/zinc/97/74/71/1181977471.db2.gz GTDKVJQBFLXIHI-DOTOQJQBSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C[NH2+]CCC1CC1 ZINC001268195465 1181989263 /nfs/dbraw/zinc/98/92/63/1181989263.db2.gz KUXLRXGDNYHXTE-YJBOKZPZSA-N 2 2 332.492 2.370 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001481695515 1182228684 /nfs/dbraw/zinc/22/86/84/1182228684.db2.gz RQJQSPRWWQCEAQ-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001481695515 1182228688 /nfs/dbraw/zinc/22/86/88/1182228688.db2.gz RQJQSPRWWQCEAQ-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001481695515 1182228695 /nfs/dbraw/zinc/22/86/95/1182228695.db2.gz RQJQSPRWWQCEAQ-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001481695515 1182228700 /nfs/dbraw/zinc/22/87/00/1182228700.db2.gz RQJQSPRWWQCEAQ-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP C[C@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268387226 1182426343 /nfs/dbraw/zinc/42/63/43/1182426343.db2.gz SADUFTOSALXMFD-CABCVRRESA-N 2 2 330.432 2.001 10 0 EEAELP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001481768871 1182652863 /nfs/dbraw/zinc/65/28/63/1182652863.db2.gz UBCJBXNHVSJWAW-SJORKVTESA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001481768871 1182652869 /nfs/dbraw/zinc/65/28/69/1182652869.db2.gz UBCJBXNHVSJWAW-SJORKVTESA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001481768871 1182652872 /nfs/dbraw/zinc/65/28/72/1182652872.db2.gz UBCJBXNHVSJWAW-SJORKVTESA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001481768871 1182652875 /nfs/dbraw/zinc/65/28/75/1182652875.db2.gz UBCJBXNHVSJWAW-SJORKVTESA-N 2 2 348.491 2.280 10 0 EEAELP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001481857464 1182807161 /nfs/dbraw/zinc/80/71/61/1182807161.db2.gz KSZNTSLQTCIKKA-MNOVXSKESA-N 2 2 333.263 2.021 10 0 EEAELP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001268493184 1182992937 /nfs/dbraw/zinc/99/29/37/1182992937.db2.gz CFIJEOLRYXGRIA-YFHOEESVSA-N 2 2 326.444 2.412 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)CCc1c[nH+]cn1C ZINC001268494816 1182996500 /nfs/dbraw/zinc/99/65/00/1182996500.db2.gz RNPRUUNHBVEVLK-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP CCC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481976724 1183073571 /nfs/dbraw/zinc/07/35/71/1183073571.db2.gz JPTGXTCQHNXSSY-INIZCTEOSA-N 2 2 332.492 2.390 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001481991923 1183099319 /nfs/dbraw/zinc/09/93/19/1183099319.db2.gz RYZAWDHTPHUMHI-SJWLEHQBSA-N 2 2 345.274 2.420 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1 ZINC001268574295 1183313594 /nfs/dbraw/zinc/31/35/94/1183313594.db2.gz HCSZTPZHYMBCKO-UPHRSURJSA-N 2 2 340.418 2.361 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CCc1ccccc1 ZINC001268592557 1183396633 /nfs/dbraw/zinc/39/66/33/1183396633.db2.gz HIFDOCGJPORSBH-PJHKVULZSA-N 2 2 338.455 2.028 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268686955 1183611537 /nfs/dbraw/zinc/61/15/37/1183611537.db2.gz TYKPKBBMCQUISZ-WMLDXEAASA-N 2 2 335.496 2.321 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268686955 1183611542 /nfs/dbraw/zinc/61/15/42/1183611542.db2.gz TYKPKBBMCQUISZ-WMLDXEAASA-N 2 2 335.496 2.321 10 0 EEAELP C[C@@H](C[N@H+](C)CCOCC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268740294 1183660605 /nfs/dbraw/zinc/66/06/05/1183660605.db2.gz SZDYGTCZBODIMP-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@@H](C[N@@H+](C)CCOCC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268740294 1183660607 /nfs/dbraw/zinc/66/06/07/1183660607.db2.gz SZDYGTCZBODIMP-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP CN(CCC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)Cn1cc[nH+]c1 ZINC001268964125 1183853910 /nfs/dbraw/zinc/85/39/10/1183853910.db2.gz GZOXANZUKNLOLT-KRWDZBQOSA-N 2 2 340.471 2.126 10 0 EEAELP CCCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001482206250 1183980187 /nfs/dbraw/zinc/98/01/87/1183980187.db2.gz CVFFCXTWVXOYMJ-RTBURBONSA-N 2 2 347.503 2.297 10 0 EEAELP CCCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001482206250 1183980191 /nfs/dbraw/zinc/98/01/91/1183980191.db2.gz CVFFCXTWVXOYMJ-RTBURBONSA-N 2 2 347.503 2.297 10 0 EEAELP C[C@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001269791133 1184624208 /nfs/dbraw/zinc/62/42/08/1184624208.db2.gz NDTFHGMEGSXNIG-HOTGVXAUSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H]3C[NH2+]CCOC(C)C)ccn12 ZINC001270206304 1184919545 /nfs/dbraw/zinc/91/95/45/1184919545.db2.gz ZIAXUIQPLFFHLD-QGZVFWFLSA-N 2 2 344.459 2.262 10 0 EEAELP CCOCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001482470239 1185988006 /nfs/dbraw/zinc/98/80/06/1185988006.db2.gz FNEPIGDPUBAZRG-CVEARBPZSA-N 2 2 344.459 2.201 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001271552188 1186306226 /nfs/dbraw/zinc/30/62/26/1186306226.db2.gz PLMDMVNJPCHXDC-IAGOWNOFSA-N 2 2 330.476 2.216 10 0 EEAELP CCCC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001271846813 1186548992 /nfs/dbraw/zinc/54/89/92/1186548992.db2.gz UIYSQKYAVDQAPS-DLBZAZTESA-N 2 2 335.496 2.321 10 0 EEAELP CCCC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001271846813 1186549002 /nfs/dbraw/zinc/54/90/02/1186549002.db2.gz UIYSQKYAVDQAPS-DLBZAZTESA-N 2 2 335.496 2.321 10 0 EEAELP CCCC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001271846816 1186549773 /nfs/dbraw/zinc/54/97/73/1186549773.db2.gz UIYSQKYAVDQAPS-SJORKVTESA-N 2 2 335.496 2.321 10 0 EEAELP CCCC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001271846816 1186549780 /nfs/dbraw/zinc/54/97/80/1186549780.db2.gz UIYSQKYAVDQAPS-SJORKVTESA-N 2 2 335.496 2.321 10 0 EEAELP CN(CC[N@H+](C)Cc1ccns1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606454 1187360337 /nfs/dbraw/zinc/36/03/37/1187360337.db2.gz PTYWCXUKKAYSFM-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccns1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606454 1187360340 /nfs/dbraw/zinc/36/03/40/1187360340.db2.gz PTYWCXUKKAYSFM-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1ccns1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482606454 1187360343 /nfs/dbraw/zinc/36/03/43/1187360343.db2.gz PTYWCXUKKAYSFM-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1ccns1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001482606454 1187360348 /nfs/dbraw/zinc/36/03/48/1187360348.db2.gz PTYWCXUKKAYSFM-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(F)cn1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001482606563 1187360980 /nfs/dbraw/zinc/36/09/80/1187360980.db2.gz RZDGHNSDPUMAGA-ROUUACIJSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc(F)cn1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001482606563 1187360982 /nfs/dbraw/zinc/36/09/82/1187360982.db2.gz RZDGHNSDPUMAGA-ROUUACIJSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[NH+](C)Cc1ccc(F)cn1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001482606563 1187360985 /nfs/dbraw/zinc/36/09/85/1187360985.db2.gz RZDGHNSDPUMAGA-ROUUACIJSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[NH+](C)Cc1ccc(F)cn1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001482606563 1187360989 /nfs/dbraw/zinc/36/09/89/1187360989.db2.gz RZDGHNSDPUMAGA-ROUUACIJSA-N 2 2 348.466 2.128 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@H](O)C[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001482752401 1187698700 /nfs/dbraw/zinc/69/87/00/1187698700.db2.gz IBDGJCRXTLOYII-MRXNPFEDSA-N 2 2 333.476 2.123 10 0 EEAELP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)n1 ZINC001482842963 1187762015 /nfs/dbraw/zinc/76/20/15/1187762015.db2.gz JUKTXOFRLNZPLA-LBPRGKRZSA-N 2 2 349.504 2.376 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1C[C@@]12CCOC2)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001482939700 1187863257 /nfs/dbraw/zinc/86/32/57/1187863257.db2.gz UFNIBEULTHGEEP-FXAWDEMLSA-N 2 2 345.487 2.485 10 0 EEAELP CCCc1ccc(C[NH2+]CCN(C)C(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001691574950 1188274557 /nfs/dbraw/zinc/27/45/57/1188274557.db2.gz XVLZHINFOZRRKX-UHFFFAOYSA-N 2 2 328.460 2.461 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1ccc(CF)cc1 ZINC001483088921 1188451986 /nfs/dbraw/zinc/45/19/86/1188451986.db2.gz UFBPFDYFEIZYSQ-IHWYPQMZSA-N 2 2 330.407 2.192 10 0 EEAELP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483138266 1188689683 /nfs/dbraw/zinc/68/96/83/1188689683.db2.gz XYYJZWAGBMHGBC-IJLUTSLNSA-N 2 2 332.370 2.340 10 0 EEAELP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483138266 1188689686 /nfs/dbraw/zinc/68/96/86/1188689686.db2.gz XYYJZWAGBMHGBC-IJLUTSLNSA-N 2 2 332.370 2.340 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001409373302 1189596179 /nfs/dbraw/zinc/59/61/79/1189596179.db2.gz NJEGPRXAFFHXQC-ZIAGYGMSSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001409373302 1189596181 /nfs/dbraw/zinc/59/61/81/1189596181.db2.gz NJEGPRXAFFHXQC-ZIAGYGMSSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2[nH+]ccn2C)c1 ZINC001409390801 1189617626 /nfs/dbraw/zinc/61/76/26/1189617626.db2.gz UULLHXCXGWHGDN-CVEARBPZSA-N 2 2 328.460 2.344 10 0 EEAELP CCc1ccccc1CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409414168 1189645786 /nfs/dbraw/zinc/64/57/86/1189645786.db2.gz YRIPMAPBUJIKJB-GJZGRUSLSA-N 2 2 328.460 2.240 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC001409450732 1189696062 /nfs/dbraw/zinc/69/60/62/1189696062.db2.gz GNYIZNCFSJAHTE-GJZGRUSLSA-N 2 2 344.459 2.044 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCCC1CCC1 ZINC001409592327 1190087716 /nfs/dbraw/zinc/08/77/16/1190087716.db2.gz WVXNJSYJQJCWPL-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCCC1CCC1 ZINC001409592327 1190087724 /nfs/dbraw/zinc/08/77/24/1190087724.db2.gz WVXNJSYJQJCWPL-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)C[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001483238455 1190227775 /nfs/dbraw/zinc/22/77/75/1190227775.db2.gz CFLOMKPGWVQUBD-YOEHRIQHSA-N 2 2 347.438 2.299 10 0 EEAELP CCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001691805508 1190283274 /nfs/dbraw/zinc/28/32/74/1190283274.db2.gz WTRCJAQXLAKSOD-UHFFFAOYSA-N 2 2 347.488 2.273 10 0 EEAELP C[C@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001483366461 1190409693 /nfs/dbraw/zinc/40/96/93/1190409693.db2.gz OTNOJSJAGRJRLV-QAPCUYQASA-N 2 2 340.471 2.477 10 0 EEAELP C[C@H](C[N@@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001483366461 1190409695 /nfs/dbraw/zinc/40/96/95/1190409695.db2.gz OTNOJSJAGRJRLV-QAPCUYQASA-N 2 2 340.471 2.477 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001483610399 1190588857 /nfs/dbraw/zinc/58/88/57/1190588857.db2.gz XDTIGBUKBDLEIW-OALUTQOASA-N 2 2 338.455 2.445 10 0 EEAELP COCCC[NH2+]CC[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001272503813 1190855948 /nfs/dbraw/zinc/85/59/48/1190855948.db2.gz VFKRVNRAEZHQKP-KRWDZBQOSA-N 2 2 333.476 2.485 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001272574293 1190888871 /nfs/dbraw/zinc/88/88/71/1190888871.db2.gz PDEJNDGMIXNGLE-OAHLLOKOSA-N 2 2 330.407 2.120 10 0 EEAELP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001483742170 1190893543 /nfs/dbraw/zinc/89/35/43/1190893543.db2.gz NQDNAXHGYVVWDO-HNNXBMFYSA-N 2 2 345.447 2.205 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001484066612 1191186925 /nfs/dbraw/zinc/18/69/25/1191186925.db2.gz AUCBGTLDBSDPPT-IBGZPJMESA-N 2 2 349.523 2.277 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001484066612 1191186926 /nfs/dbraw/zinc/18/69/26/1191186926.db2.gz AUCBGTLDBSDPPT-IBGZPJMESA-N 2 2 349.523 2.277 10 0 EEAELP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001484068735 1191194867 /nfs/dbraw/zinc/19/48/67/1191194867.db2.gz UXFDHYCMQNIDFL-PBHICJAKSA-N 2 2 338.883 2.156 10 0 EEAELP Cc1nc(C[NH2+]C[C@]2(C)CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)co1 ZINC001484122313 1191222028 /nfs/dbraw/zinc/22/20/28/1191222028.db2.gz QYNFTQQGJPUEHB-SFHVURJKSA-N 2 2 345.447 2.012 10 0 EEAELP O=C(NCC1([NH2+]Cc2ccsc2)CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001484639554 1191454322 /nfs/dbraw/zinc/45/43/22/1191454322.db2.gz AOYOZERLPXEOJH-HNNXBMFYSA-N 2 2 344.484 2.336 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCOCC2CCC2)[C@@H](C)C1 ZINC001484987380 1191603788 /nfs/dbraw/zinc/60/37/88/1191603788.db2.gz YXKBQLOTUSWGGY-YOEHRIQHSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCOCC2CCC2)[C@@H](C)C1 ZINC001484987380 1191603790 /nfs/dbraw/zinc/60/37/90/1191603790.db2.gz YXKBQLOTUSWGGY-YOEHRIQHSA-N 2 2 348.491 2.046 10 0 EEAELP C[C@@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001485044740 1191624675 /nfs/dbraw/zinc/62/46/75/1191624675.db2.gz ZSWOGWBSRAKWGF-LSBZLQRGSA-N 2 2 344.434 2.393 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CC[C@H]1CCCCO1 ZINC001485329244 1191745819 /nfs/dbraw/zinc/74/58/19/1191745819.db2.gz QMYZOOCUADTTNS-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CC[C@H]1CCCCO1 ZINC001485329244 1191745820 /nfs/dbraw/zinc/74/58/20/1191745820.db2.gz QMYZOOCUADTTNS-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485355405 1191760121 /nfs/dbraw/zinc/76/01/21/1191760121.db2.gz GBFZGAGAHGHYJW-ZIAGYGMSSA-N 2 2 330.432 2.159 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485355405 1191760124 /nfs/dbraw/zinc/76/01/24/1191760124.db2.gz GBFZGAGAHGHYJW-ZIAGYGMSSA-N 2 2 330.432 2.159 10 0 EEAELP Cc1nc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)c(C)o1 ZINC001485486523 1191809423 /nfs/dbraw/zinc/80/94/23/1191809423.db2.gz YPPWLQPVOVPUEP-QGZVFWFLSA-N 2 2 348.491 2.248 10 0 EEAELP Cc1nc(C[N@H+]2CCCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)c(C)o1 ZINC001485486523 1191809424 /nfs/dbraw/zinc/80/94/24/1191809424.db2.gz YPPWLQPVOVPUEP-QGZVFWFLSA-N 2 2 348.491 2.248 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2nocc2C)[C@@H]1C ZINC001486184488 1193723948 /nfs/dbraw/zinc/72/39/48/1193723948.db2.gz VFLMOSHRLLEFMY-HZPDHXFCSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2nocc2C)[C@@H]1C ZINC001486184488 1193723954 /nfs/dbraw/zinc/72/39/54/1193723954.db2.gz VFLMOSHRLLEFMY-HZPDHXFCSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2nocc2C)[C@@H]1C ZINC001486184488 1193723960 /nfs/dbraw/zinc/72/39/60/1193723960.db2.gz VFLMOSHRLLEFMY-HZPDHXFCSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nocc2C)[C@@H]1C ZINC001486184488 1193723964 /nfs/dbraw/zinc/72/39/64/1193723964.db2.gz VFLMOSHRLLEFMY-HZPDHXFCSA-N 2 2 336.480 2.184 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001486254544 1193782050 /nfs/dbraw/zinc/78/20/50/1193782050.db2.gz VAQVFDJVZBGBPE-CHWSQXEVSA-N 2 2 344.381 2.145 10 0 EEAELP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001486478530 1193992528 /nfs/dbraw/zinc/99/25/28/1193992528.db2.gz HUWALWBPFMPZEI-VOTSOKGWSA-N 2 2 337.508 2.033 10 0 EEAELP Cc1conc1C[NH+]1CC=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001486515807 1194035992 /nfs/dbraw/zinc/03/59/92/1194035992.db2.gz QOOJDZGJIXCRJI-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1conc1C[NH+]1CC=C(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001486515807 1194035995 /nfs/dbraw/zinc/03/59/95/1194035995.db2.gz QOOJDZGJIXCRJI-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1conc1C[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001486515807 1194035999 /nfs/dbraw/zinc/03/59/99/1194035999.db2.gz QOOJDZGJIXCRJI-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1conc1C[N@@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001486515807 1194036000 /nfs/dbraw/zinc/03/60/00/1194036000.db2.gz QOOJDZGJIXCRJI-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001273025597 1194333009 /nfs/dbraw/zinc/33/30/09/1194333009.db2.gz ZAJPQTNUXWQMHX-GFCCVEGCSA-N 2 2 331.247 2.173 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC001411215523 1198924569 /nfs/dbraw/zinc/92/45/69/1198924569.db2.gz KMOPKKCTRAGXAE-OAHLLOKOSA-N 2 2 347.463 2.063 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC001411245170 1198965487 /nfs/dbraw/zinc/96/54/87/1198965487.db2.gz FYTGJOJRJPKCIN-NUYPLMSZSA-N 2 2 340.418 2.213 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC001411245170 1198965494 /nfs/dbraw/zinc/96/54/94/1198965494.db2.gz FYTGJOJRJPKCIN-NUYPLMSZSA-N 2 2 340.418 2.213 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000870910886 1200947173 /nfs/dbraw/zinc/94/71/73/1200947173.db2.gz ONQUBCMCQDZMFU-ZPUIDXCVSA-N 2 2 337.414 2.344 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000870910886 1200947174 /nfs/dbraw/zinc/94/71/74/1200947174.db2.gz ONQUBCMCQDZMFU-ZPUIDXCVSA-N 2 2 337.414 2.344 10 0 EEAELP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000870994959 1200996994 /nfs/dbraw/zinc/99/69/94/1200996994.db2.gz ZIIMBCYKHUHEOJ-PBHICJAKSA-N 2 2 325.403 2.188 10 0 EEAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCn1ccccc1=O)C2 ZINC000880020792 1201349343 /nfs/dbraw/zinc/34/93/43/1201349343.db2.gz OXOQPRFVLSNIKZ-PZJWPPBQSA-N 2 2 337.467 2.302 10 0 EEAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCn1ccccc1=O)C2 ZINC000880020792 1201349360 /nfs/dbraw/zinc/34/93/60/1201349360.db2.gz OXOQPRFVLSNIKZ-PZJWPPBQSA-N 2 2 337.467 2.302 10 0 EEAELP C[C@]12C[NH+](CCn3ccccc3=O)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880020792 1201349374 /nfs/dbraw/zinc/34/93/74/1201349374.db2.gz OXOQPRFVLSNIKZ-PZJWPPBQSA-N 2 2 337.467 2.302 10 0 EEAELP C[C@]12C[NH+](CCn3ccccc3=O)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880020792 1201349386 /nfs/dbraw/zinc/34/93/86/1201349386.db2.gz OXOQPRFVLSNIKZ-PZJWPPBQSA-N 2 2 337.467 2.302 10 0 EEAELP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866233543 1201472738 /nfs/dbraw/zinc/47/27/38/1201472738.db2.gz VOYXCZNVTLUMCY-HKUYNNGSSA-N 2 2 335.467 2.466 10 0 EEAELP CCN1CC[NH+](CCCC[NH2+][C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866233543 1201472740 /nfs/dbraw/zinc/47/27/40/1201472740.db2.gz VOYXCZNVTLUMCY-HKUYNNGSSA-N 2 2 335.467 2.466 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC000869244022 1201972933 /nfs/dbraw/zinc/97/29/33/1201972933.db2.gz UWKCAJSXBKQYPL-UHFFFAOYSA-N 2 2 337.483 2.493 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC(C)(C)c1ccc(F)cc1 ZINC000869244022 1201972936 /nfs/dbraw/zinc/97/29/36/1201972936.db2.gz UWKCAJSXBKQYPL-UHFFFAOYSA-N 2 2 337.483 2.493 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001274453230 1205043121 /nfs/dbraw/zinc/04/31/21/1205043121.db2.gz HYJRCDYNHXZHOA-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001274453230 1205043124 /nfs/dbraw/zinc/04/31/24/1205043124.db2.gz HYJRCDYNHXZHOA-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001274894032 1205202861 /nfs/dbraw/zinc/20/28/61/1205202861.db2.gz FEQYXLPNMLFQEP-ZFTGLFDFSA-N 2 2 337.508 2.080 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001274894032 1205202863 /nfs/dbraw/zinc/20/28/63/1205202863.db2.gz FEQYXLPNMLFQEP-ZFTGLFDFSA-N 2 2 337.508 2.080 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001275309688 1205305624 /nfs/dbraw/zinc/30/56/24/1205305624.db2.gz IIYNJZXXTKYLEU-CGTJXYLNSA-N 2 2 340.471 2.169 10 0 EEAELP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC001275433631 1205359300 /nfs/dbraw/zinc/35/93/00/1205359300.db2.gz OACOLWBYDNZGQK-RYUDHWBXSA-N 2 2 341.390 2.394 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)o1 ZINC001411689361 1205487036 /nfs/dbraw/zinc/48/70/36/1205487036.db2.gz ZPDAWJASQXIUON-UHFFFAOYSA-N 2 2 347.484 2.403 10 0 EEAELP CCOc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000925956359 1206174031 /nfs/dbraw/zinc/17/40/31/1206174031.db2.gz JUSWHHXCIVPRQS-UHFFFAOYSA-N 2 2 340.855 2.283 10 0 EEAELP CC1(C)CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@@H]1[NH3+] ZINC000926030629 1206183565 /nfs/dbraw/zinc/18/35/65/1206183565.db2.gz RJHWAADXWHWYQJ-INIZCTEOSA-N 2 2 343.431 2.163 10 0 EEAELP Cc1c(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cccc1-c1ncco1 ZINC000926123095 1206195125 /nfs/dbraw/zinc/19/51/25/1206195125.db2.gz MNIKQLNGZURUAD-UHFFFAOYSA-N 2 2 343.431 2.195 10 0 EEAELP C[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(=O)c1ccc(O)cc1 ZINC000929284047 1206462579 /nfs/dbraw/zinc/46/25/79/1206462579.db2.gz NURMSNDFBSHCRQ-MRXNPFEDSA-N 2 2 346.471 2.255 10 0 EEAELP Nc1cc[nH+]c2c1C[N@H+](C[C@H]1CCN(C(=O)c3ccccc3)C1)CC2 ZINC000931517015 1207403512 /nfs/dbraw/zinc/40/35/12/1207403512.db2.gz CTCLPFARPASXBS-OAHLLOKOSA-N 2 2 336.439 2.184 10 0 EEAELP Nc1cc[nH+]c2c1C[N@@H+](C[C@H]1CCN(C(=O)c3ccccc3)C1)CC2 ZINC000931517015 1207403514 /nfs/dbraw/zinc/40/35/14/1207403514.db2.gz CTCLPFARPASXBS-OAHLLOKOSA-N 2 2 336.439 2.184 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CC1 ZINC000900282140 1234154629 /nfs/dbraw/zinc/15/46/29/1234154629.db2.gz SFLUAGGXDLBZJQ-SFHVURJKSA-N 2 2 341.459 2.065 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC000900691758 1234666432 /nfs/dbraw/zinc/66/64/32/1234666432.db2.gz ASFPUBMKMUTGNL-QGZVFWFLSA-N 2 2 339.524 2.066 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC[C@@H]1CC(C)(C)CO1 ZINC000900691758 1234666434 /nfs/dbraw/zinc/66/64/34/1234666434.db2.gz ASFPUBMKMUTGNL-QGZVFWFLSA-N 2 2 339.524 2.066 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/COc1ccccc1 ZINC000827533816 1248411278 /nfs/dbraw/zinc/41/12/78/1248411278.db2.gz YTYYYCYPAOXYFJ-JXMROGBWSA-N 2 2 345.487 2.106 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/COc1ccccc1 ZINC000827533816 1248411286 /nfs/dbraw/zinc/41/12/86/1248411286.db2.gz YTYYYCYPAOXYFJ-JXMROGBWSA-N 2 2 345.487 2.106 10 0 EEAELP CC[C@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1)OC ZINC001491038901 1258595713 /nfs/dbraw/zinc/59/57/13/1258595713.db2.gz HBDWIVNXYQLQEZ-SOLBZPMBSA-N 2 2 342.443 2.148 10 0 EEAELP Cc1conc1C[NH2+]C1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001491363737 1258994014 /nfs/dbraw/zinc/99/40/14/1258994014.db2.gz AMQMZBGJPGFONP-QQFBHYJXSA-N 2 2 345.447 2.348 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C)on3)C2)ccn1 ZINC000856548356 1293562384 /nfs/dbraw/zinc/56/23/84/1293562384.db2.gz IVPNWCBYTRKXFX-SFHVURJKSA-N 2 2 330.432 2.483 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C)on3)C2)ccn1 ZINC000856548356 1293562390 /nfs/dbraw/zinc/56/23/90/1293562390.db2.gz IVPNWCBYTRKXFX-SFHVURJKSA-N 2 2 330.432 2.483 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(C)on3)C2)ccn1 ZINC000856548356 1293562395 /nfs/dbraw/zinc/56/23/95/1293562395.db2.gz IVPNWCBYTRKXFX-SFHVURJKSA-N 2 2 330.432 2.483 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(C)on3)C2)ccn1 ZINC000856548356 1293562400 /nfs/dbraw/zinc/56/24/00/1293562400.db2.gz IVPNWCBYTRKXFX-SFHVURJKSA-N 2 2 330.432 2.483 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1(C)C ZINC000858178916 1294034146 /nfs/dbraw/zinc/03/41/46/1294034146.db2.gz UUBZHNAAWNUCNO-MRXNPFEDSA-N 2 2 331.460 2.470 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1(C)C ZINC000858178916 1294034154 /nfs/dbraw/zinc/03/41/54/1294034154.db2.gz UUBZHNAAWNUCNO-MRXNPFEDSA-N 2 2 331.460 2.470 10 0 EEAELP NC(=O)COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000858222723 1294051142 /nfs/dbraw/zinc/05/11/42/1294051142.db2.gz VWDXNGWSKGSWOY-QGZVFWFLSA-N 2 2 331.460 2.047 10 0 EEAELP NC(=O)COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222723 1294051148 /nfs/dbraw/zinc/05/11/48/1294051148.db2.gz VWDXNGWSKGSWOY-QGZVFWFLSA-N 2 2 331.460 2.047 10 0 EEAELP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858319839 1294081175 /nfs/dbraw/zinc/08/11/75/1294081175.db2.gz RYQQWXSZWPDXSE-RDJZCZTQSA-N 2 2 331.460 2.182 10 0 EEAELP CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858319839 1294081179 /nfs/dbraw/zinc/08/11/79/1294081179.db2.gz RYQQWXSZWPDXSE-RDJZCZTQSA-N 2 2 331.460 2.182 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+](CCc3nc4ccccc4c(=O)[nH]3)C[C@@]2(C)C1 ZINC000931308920 1297130646 /nfs/dbraw/zinc/13/06/46/1297130646.db2.gz XXNOHRLFUGNCQN-RTBURBONSA-N 2 2 326.444 2.152 10 0 EEAELP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCCCCF ZINC001276758776 1297489840 /nfs/dbraw/zinc/48/98/40/1297489840.db2.gz CUBIWVHXVDMNCB-WBVHZDCISA-N 2 2 338.471 2.319 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1cc2ccccc2s1 ZINC001276986042 1300673077 /nfs/dbraw/zinc/67/30/77/1300673077.db2.gz OZYMVFYUKBUAHT-OAHLLOKOSA-N 2 2 340.452 2.489 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1cc2ccccc2s1 ZINC001276986042 1300673083 /nfs/dbraw/zinc/67/30/83/1300673083.db2.gz OZYMVFYUKBUAHT-OAHLLOKOSA-N 2 2 340.452 2.489 10 0 EEAELP C[N@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1)C2 ZINC000694751947 1304134960 /nfs/dbraw/zinc/13/49/60/1304134960.db2.gz KWYXDRMAYVJMOP-OTYNDTSQSA-N 2 2 342.531 2.017 10 0 EEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1)C2 ZINC000694751947 1304134964 /nfs/dbraw/zinc/13/49/64/1304134964.db2.gz KWYXDRMAYVJMOP-OTYNDTSQSA-N 2 2 342.531 2.017 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)C2 ZINC000694751947 1304134968 /nfs/dbraw/zinc/13/49/68/1304134968.db2.gz KWYXDRMAYVJMOP-OTYNDTSQSA-N 2 2 342.531 2.017 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)C2 ZINC000694751947 1304134972 /nfs/dbraw/zinc/13/49/72/1304134972.db2.gz KWYXDRMAYVJMOP-OTYNDTSQSA-N 2 2 342.531 2.017 10 0 EEAELP CCN(OC)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842769633 1315770194 /nfs/dbraw/zinc/77/01/94/1315770194.db2.gz DRQZMUVWTSMQEO-KRWDZBQOSA-N 2 2 331.460 2.183 10 0 EEAELP CCN(OC)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842769633 1315770198 /nfs/dbraw/zinc/77/01/98/1315770198.db2.gz DRQZMUVWTSMQEO-KRWDZBQOSA-N 2 2 331.460 2.183 10 0 EEAELP [NH3+]C[C@@H]1CC[C@H]([NH2+]N2CCO[C@H](c3c(F)cccc3Cl)C2)C1 ZINC000843045292 1315828228 /nfs/dbraw/zinc/82/82/28/1315828228.db2.gz MNGBTSXQFHYBEF-XUJVJEKNSA-N 2 2 327.831 2.484 10 0 EEAELP CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843389319 1315905303 /nfs/dbraw/zinc/90/53/03/1315905303.db2.gz NVQITWGGOBGHDH-QGZVFWFLSA-N 2 2 345.487 2.436 10 0 EEAELP CC(C)c1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843389319 1315905305 /nfs/dbraw/zinc/90/53/05/1315905305.db2.gz NVQITWGGOBGHDH-QGZVFWFLSA-N 2 2 345.487 2.436 10 0 EEAELP C[C@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@@H+]1Cc1ccon1 ZINC001278532248 1317161444 /nfs/dbraw/zinc/16/14/44/1317161444.db2.gz ALWSGUQOSDETLQ-FUHWJXTLSA-N 2 2 348.491 2.410 10 0 EEAELP C[C@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@H+]1Cc1ccon1 ZINC001278532248 1317161447 /nfs/dbraw/zinc/16/14/47/1317161447.db2.gz ALWSGUQOSDETLQ-FUHWJXTLSA-N 2 2 348.491 2.410 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)OCCC[NH+]1CCO[C@@H](C)C1)c1ccccc1 ZINC001263529789 1322488215 /nfs/dbraw/zinc/48/82/15/1322488215.db2.gz QHTRBDFZBTXOMD-FUHWJXTLSA-N 2 2 334.460 2.333 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)OCCC[NH+]1CCO[C@@H](C)C1)c1ccccc1 ZINC001263529789 1322488218 /nfs/dbraw/zinc/48/82/18/1322488218.db2.gz QHTRBDFZBTXOMD-FUHWJXTLSA-N 2 2 334.460 2.333 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)OCCC[N@@H+]1CCO[C@@H](C)C1)c1ccccc1 ZINC001263529789 1322488221 /nfs/dbraw/zinc/48/82/21/1322488221.db2.gz QHTRBDFZBTXOMD-FUHWJXTLSA-N 2 2 334.460 2.333 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)OCCC[N@H+]1CCO[C@@H](C)C1)c1ccccc1 ZINC001263529789 1322488225 /nfs/dbraw/zinc/48/82/25/1322488225.db2.gz QHTRBDFZBTXOMD-FUHWJXTLSA-N 2 2 334.460 2.333 10 0 EEAELP COCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001264119287 1322632226 /nfs/dbraw/zinc/63/22/26/1322632226.db2.gz YBOOXJKSHHWZDX-KRWDZBQOSA-N 2 2 349.475 2.030 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC[C@H]1CCCC1(F)F ZINC001265051088 1322891324 /nfs/dbraw/zinc/89/13/24/1322891324.db2.gz YHOJSOWUFUFHET-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC[C@H]1CCCC1(F)F ZINC001265051088 1322891329 /nfs/dbraw/zinc/89/13/29/1322891329.db2.gz YHOJSOWUFUFHET-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC001265235329 1323001665 /nfs/dbraw/zinc/00/16/65/1323001665.db2.gz NGDJYDGGKTUYFM-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC001265235329 1323001674 /nfs/dbraw/zinc/00/16/74/1323001674.db2.gz NGDJYDGGKTUYFM-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP Cc1cccnc1C[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265931866 1323496361 /nfs/dbraw/zinc/49/63/61/1323496361.db2.gz YLAKFKDYAXPWEI-MRXNPFEDSA-N 2 2 329.448 2.176 10 0 EEAELP Cc1cccnc1C[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265931866 1323496365 /nfs/dbraw/zinc/49/63/65/1323496365.db2.gz YLAKFKDYAXPWEI-MRXNPFEDSA-N 2 2 329.448 2.176 10 0 EEAELP CCOCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266059459 1323612096 /nfs/dbraw/zinc/61/20/96/1323612096.db2.gz JBICIIXLJAVVLH-LSDHHAIUSA-N 2 2 330.432 2.230 10 0 EEAELP COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001266064225 1323618260 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EEAELP CCOCCC[N@H+](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001283339952 1326017853 /nfs/dbraw/zinc/01/78/53/1326017853.db2.gz AXRCBASRJMARPO-UHFFFAOYSA-N 2 2 336.480 2.037 10 0 EEAELP CCOCCC[N@@H+](C)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001283339952 1326017854 /nfs/dbraw/zinc/01/78/54/1326017854.db2.gz AXRCBASRJMARPO-UHFFFAOYSA-N 2 2 336.480 2.037 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284630238 1326639228 /nfs/dbraw/zinc/63/92/28/1326639228.db2.gz IHAZAETVCHPIHK-AWEZNQCLSA-N 2 2 349.866 2.321 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCc1ccc(CC[NH2+]C(C)C)cc1 ZINC001491900468 1330296247 /nfs/dbraw/zinc/29/62/47/1330296247.db2.gz OAWAYFQDRUSKOY-UHFFFAOYSA-N 2 2 341.455 2.490 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)CCC[C@@H]2CCOC2)C1 ZINC001491962509 1330357011 /nfs/dbraw/zinc/35/70/11/1330357011.db2.gz FDZKDZBBPHSEOV-SJORKVTESA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)CCC[C@@H]2CCOC2)C1 ZINC001491962509 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ZINC001662846182 1354863933 /nfs/dbraw/zinc/86/39/33/1354863933.db2.gz TWLZFFCKRAEHHR-SFHVURJKSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@H+](CCOCC1CCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001662846182 1354863938 /nfs/dbraw/zinc/86/39/38/1354863938.db2.gz TWLZFFCKRAEHHR-SFHVURJKSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CCOCC1CCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001662846182 1354863943 /nfs/dbraw/zinc/86/39/43/1354863943.db2.gz TWLZFFCKRAEHHR-SFHVURJKSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001663088605 1354911423 /nfs/dbraw/zinc/91/14/23/1354911423.db2.gz ZGQKKXQYQMDJIL-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001663088605 1354911426 /nfs/dbraw/zinc/91/14/26/1354911426.db2.gz ZGQKKXQYQMDJIL-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)c1 ZINC001663993178 1355070426 /nfs/dbraw/zinc/07/04/26/1355070426.db2.gz ULQPPACACYMZDY-IAGOWNOFSA-N 2 2 326.444 2.378 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)c1 ZINC001663993178 1355070431 /nfs/dbraw/zinc/07/04/31/1355070431.db2.gz ULQPPACACYMZDY-IAGOWNOFSA-N 2 2 326.444 2.378 10 0 EEAELP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001665934018 1355412180 /nfs/dbraw/zinc/41/21/80/1355412180.db2.gz VYGSPOVTWRNHLO-INIZCTEOSA-N 2 2 330.476 2.430 10 0 EEAELP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001666224000 1355488374 /nfs/dbraw/zinc/48/83/74/1355488374.db2.gz VAEURYPLUJEXMX-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001667014288 1355633116 /nfs/dbraw/zinc/63/31/16/1355633116.db2.gz YRSNGUGFZHPHPN-INIZCTEOSA-N 2 2 341.540 2.360 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCc2ccccc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001667064187 1355643147 /nfs/dbraw/zinc/64/31/47/1355643147.db2.gz UYAJCOYMDGHBPN-AEFFLSMTSA-N 2 2 340.471 2.440 10 0 EEAELP CCOC1CC(C[NH2+]CC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001668112129 1355873651 /nfs/dbraw/zinc/87/36/51/1355873651.db2.gz ATZROIGFARHRBL-VQCLRJIVSA-N 2 2 344.459 2.476 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001668895377 1356038627 /nfs/dbraw/zinc/03/86/27/1356038627.db2.gz YVGITFITWSBWLI-OZZQIWQLSA-N 2 2 338.455 2.469 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]CC1CCC(F)(F)CC1 ZINC001669063263 1356080298 /nfs/dbraw/zinc/08/02/98/1356080298.db2.gz HLHVRVHILMCZTH-OWOJBTEDSA-N 2 2 326.391 2.040 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001671388902 1356334448 /nfs/dbraw/zinc/33/44/48/1356334448.db2.gz HPFMZXXEOFUVJE-GJZGRUSLSA-N 2 2 340.418 2.289 10 0 EEAELP COCCC[NH2+]C[C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001672299244 1356496917 /nfs/dbraw/zinc/49/69/17/1356496917.db2.gz DWJKZQDAZCYGSZ-WMLDXEAASA-N 2 2 333.476 2.341 10 0 EEAELP CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001673045153 1356636604 /nfs/dbraw/zinc/63/66/04/1356636604.db2.gz WUOFQDNTLLVLRM-MSOLQXFVSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001673045153 1356636608 /nfs/dbraw/zinc/63/66/08/1356636608.db2.gz WUOFQDNTLLVLRM-MSOLQXFVSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001673045153 1356636613 /nfs/dbraw/zinc/63/66/13/1356636613.db2.gz WUOFQDNTLLVLRM-MSOLQXFVSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001673045153 1356636616 /nfs/dbraw/zinc/63/66/16/1356636616.db2.gz WUOFQDNTLLVLRM-MSOLQXFVSA-N 2 2 339.524 2.257 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H](C)F ZINC001673110228 1356646762 /nfs/dbraw/zinc/64/67/62/1356646762.db2.gz JTMHQXPDVSMJBJ-GDBMZVCRSA-N 2 2 337.439 2.352 10 0 EEAELP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001698858322 1405114537 /nfs/dbraw/zinc/11/45/37/1405114537.db2.gz UPLIQDJVCKSKRP-GFCCVEGCSA-N 2 2 349.866 2.372 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001698921425 1405163393 /nfs/dbraw/zinc/16/33/93/1405163393.db2.gz SCZIMGZPPURMJO-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001699763525 1405472878 /nfs/dbraw/zinc/47/28/78/1405472878.db2.gz MPHVAYARFWISHQ-AWEZNQCLSA-N 2 2 332.473 2.145 10 0 EEAELP C/C(=C/C(=O)Nc1ccccc1CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000907613841 784771783 /nfs/dbraw/zinc/77/17/83/784771783.db2.gz GHRNZZORPDAYAS-PEZBUJJGSA-N 2 2 331.460 2.008 10 0 EEAELP CCOC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705936433 784827853 /nfs/dbraw/zinc/82/78/53/784827853.db2.gz XMGWFSBKKRGFLK-AQNXPRMDSA-N 2 2 332.488 2.228 10 0 EEAELP CCOC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705936433 784827856 /nfs/dbraw/zinc/82/78/56/784827856.db2.gz XMGWFSBKKRGFLK-AQNXPRMDSA-N 2 2 332.488 2.228 10 0 EEAELP CCOC[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705936433 784827861 /nfs/dbraw/zinc/82/78/61/784827861.db2.gz XMGWFSBKKRGFLK-AQNXPRMDSA-N 2 2 332.488 2.228 10 0 EEAELP CCOC[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705936433 784827864 /nfs/dbraw/zinc/82/78/64/784827864.db2.gz XMGWFSBKKRGFLK-AQNXPRMDSA-N 2 2 332.488 2.228 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000907836368 784899918 /nfs/dbraw/zinc/89/99/18/784899918.db2.gz NNPKCKOLWHOGCS-OAHLLOKOSA-N 2 2 344.459 2.084 10 0 EEAELP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000912808856 788377359 /nfs/dbraw/zinc/37/73/59/788377359.db2.gz BDTYTOIJTFIDME-CRAIPNDOSA-N 2 2 341.459 2.460 10 0 EEAELP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915619 788473459 /nfs/dbraw/zinc/47/34/59/788473459.db2.gz PKXWMIFQXZVGNH-OALUTQOASA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912915619 788473467 /nfs/dbraw/zinc/47/34/67/788473467.db2.gz PKXWMIFQXZVGNH-OALUTQOASA-N 2 2 345.462 2.487 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1Cl ZINC000825247512 788533744 /nfs/dbraw/zinc/53/37/44/788533744.db2.gz SXSWSCQZXWWRJD-KBPBESRZSA-N 2 2 338.835 2.079 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1Cl ZINC000825247512 788533748 /nfs/dbraw/zinc/53/37/48/788533748.db2.gz SXSWSCQZXWWRJD-KBPBESRZSA-N 2 2 338.835 2.079 10 0 EEAELP C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000923358281 789427865 /nfs/dbraw/zinc/42/78/65/789427865.db2.gz YBCGVEBOKGDZKK-SMDDNHRTSA-N 2 2 333.259 2.402 10 0 EEAELP C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@H](C[NH3+])C1CC1 ZINC000923358281 789427870 /nfs/dbraw/zinc/42/78/70/789427870.db2.gz YBCGVEBOKGDZKK-SMDDNHRTSA-N 2 2 333.259 2.402 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000846225819 790094412 /nfs/dbraw/zinc/09/44/12/790094412.db2.gz VCPTUDTUBYVVTN-POZUXBRTSA-N 2 2 341.455 2.462 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000846225819 790094419 /nfs/dbraw/zinc/09/44/19/790094419.db2.gz VCPTUDTUBYVVTN-POZUXBRTSA-N 2 2 341.455 2.462 10 0 EEAELP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174377553 792083381 /nfs/dbraw/zinc/08/33/81/792083381.db2.gz ISWIMCBHPQYJAO-GOSISDBHSA-N 2 2 337.427 2.028 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@H](C)C1 ZINC000930000382 798403726 /nfs/dbraw/zinc/40/37/26/798403726.db2.gz OPPLSINSJZDVAY-IUODEOHRSA-N 2 2 334.489 2.227 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@H](C)C1 ZINC000930000382 798403732 /nfs/dbraw/zinc/40/37/32/798403732.db2.gz OPPLSINSJZDVAY-IUODEOHRSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@H](C)C1 ZINC000930000382 798403738 /nfs/dbraw/zinc/40/37/38/798403738.db2.gz OPPLSINSJZDVAY-IUODEOHRSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@H](C)C1 ZINC000930000382 798403743 /nfs/dbraw/zinc/40/37/43/798403743.db2.gz OPPLSINSJZDVAY-IUODEOHRSA-N 2 2 334.489 2.227 10 0 EEAELP Cc1ccncc1C(=O)N1CC([N@@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799647 803096929 /nfs/dbraw/zinc/09/69/29/803096929.db2.gz CKLPLHGAVSFEAV-UHFFFAOYSA-N 2 2 344.503 2.267 10 0 EEAELP Cc1ccncc1C(=O)N1CC([N@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799647 803096936 /nfs/dbraw/zinc/09/69/36/803096936.db2.gz CKLPLHGAVSFEAV-UHFFFAOYSA-N 2 2 344.503 2.267 10 0 EEAELP CCOCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001566124156 1125571232 /nfs/dbraw/zinc/57/12/32/1125571232.db2.gz IOFWGGFELDZICG-SJORKVTESA-N 2 2 336.480 2.184 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001437061723 1088972465 /nfs/dbraw/zinc/97/24/65/1088972465.db2.gz YECDZQGDNUVMQW-MJGOQNOKSA-N 2 2 340.471 2.343 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001437061723 1088972479 /nfs/dbraw/zinc/97/24/79/1088972479.db2.gz YECDZQGDNUVMQW-MJGOQNOKSA-N 2 2 340.471 2.343 10 0 EEAELP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001437152570 1089152631 /nfs/dbraw/zinc/15/26/31/1089152631.db2.gz QOPVKYFVSGWOEV-XJKSGUPXSA-N 2 2 333.436 2.061 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001437207484 1089280434 /nfs/dbraw/zinc/28/04/34/1089280434.db2.gz SQAVOOBCSABBGQ-USXIJHARSA-N 2 2 326.444 2.127 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001437391495 1089643097 /nfs/dbraw/zinc/64/30/97/1089643097.db2.gz XQMJUFYJPXSKFJ-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C[NH2+]CC1CCCC1 ZINC001438488403 1090988596 /nfs/dbraw/zinc/98/85/96/1090988596.db2.gz BKWLMSQJHSYOFC-KSSFIOAISA-N 2 2 347.507 2.322 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C[NH2+]CC1CCCC1 ZINC001438488403 1090988599 /nfs/dbraw/zinc/98/85/99/1090988599.db2.gz BKWLMSQJHSYOFC-KSSFIOAISA-N 2 2 347.507 2.322 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)o1)c1ccccc1 ZINC001445477658 1091255101 /nfs/dbraw/zinc/25/51/01/1091255101.db2.gz AVIWYMMDUOZLEW-RDTXWAMCSA-N 2 2 344.459 2.270 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)o1)c1ccccc1 ZINC001445477658 1091255108 /nfs/dbraw/zinc/25/51/08/1091255108.db2.gz AVIWYMMDUOZLEW-RDTXWAMCSA-N 2 2 344.459 2.270 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)oc1C ZINC001439158636 1091802611 /nfs/dbraw/zinc/80/26/11/1091802611.db2.gz LJWGWHQGICWTMD-UKRRQHHQSA-N 2 2 336.480 2.150 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)CCCn1cc[nH+]c1 ZINC001439185858 1091835284 /nfs/dbraw/zinc/83/52/84/1091835284.db2.gz XMTLQWQBQHMYKK-CRAIPNDOSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CC2)cc1C ZINC001446011857 1091994802 /nfs/dbraw/zinc/99/48/02/1091994802.db2.gz IQKNIDNRQASRGJ-SFHVURJKSA-N 2 2 326.444 2.185 10 0 EEAELP CCc1cccc(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001446017111 1092001673 /nfs/dbraw/zinc/00/16/73/1092001673.db2.gz PNHGDEAPYDLILX-SFHVURJKSA-N 2 2 326.444 2.130 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CC2)c1 ZINC001446208132 1092293259 /nfs/dbraw/zinc/29/32/59/1092293259.db2.gz NXGXBILFCCVTBA-UHFFFAOYSA-N 2 2 330.407 2.159 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC001439555518 1092431486 /nfs/dbraw/zinc/43/14/86/1092431486.db2.gz DMBCFIWPTBHNMU-JKSUJKDBSA-N 2 2 348.491 2.012 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC001439555518 1092431490 /nfs/dbraw/zinc/43/14/90/1092431490.db2.gz DMBCFIWPTBHNMU-JKSUJKDBSA-N 2 2 348.491 2.012 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2F)CC1 ZINC001439667287 1092604898 /nfs/dbraw/zinc/60/48/98/1092604898.db2.gz QCXXWYWQNQJIMR-LBPRGKRZSA-N 2 2 330.407 2.399 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1cccc(F)c1 ZINC001448720154 1093790917 /nfs/dbraw/zinc/79/09/17/1093790917.db2.gz HIBDFEKBZVCJJB-KBRIMQKVSA-N 2 2 344.434 2.299 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CC(F)(F)C1 ZINC001448736311 1093807193 /nfs/dbraw/zinc/80/71/93/1093807193.db2.gz LUDPDYVISVNEHA-NWDGAFQWSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CC(F)(F)C1 ZINC001448736311 1093807197 /nfs/dbraw/zinc/80/71/97/1093807197.db2.gz LUDPDYVISVNEHA-NWDGAFQWSA-N 2 2 328.407 2.070 10 0 EEAELP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001449101692 1094108645 /nfs/dbraw/zinc/10/86/45/1094108645.db2.gz YGTLTGJMIRTAEI-GOEBONIOSA-N 2 2 333.476 2.482 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001440852090 1094111318 /nfs/dbraw/zinc/11/13/18/1094111318.db2.gz FVJNIEOKLRGRMR-VXGBXAGGSA-N 2 2 336.386 2.153 10 0 EEAELP Cc1csc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)n1 ZINC001441276194 1094692995 /nfs/dbraw/zinc/69/29/95/1094692995.db2.gz PMKYOORDRMTWBQ-AWEZNQCLSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C2)n1 ZINC001441276194 1094693002 /nfs/dbraw/zinc/69/30/02/1094693002.db2.gz PMKYOORDRMTWBQ-AWEZNQCLSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)n1 ZINC001441276194 1094693007 /nfs/dbraw/zinc/69/30/07/1094693007.db2.gz PMKYOORDRMTWBQ-AWEZNQCLSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)n1 ZINC001441276194 1094693011 /nfs/dbraw/zinc/69/30/11/1094693011.db2.gz PMKYOORDRMTWBQ-AWEZNQCLSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1ncsc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001441364294 1094885606 /nfs/dbraw/zinc/88/56/06/1094885606.db2.gz AXJIFNJUJRCQHP-QEJZJMRPSA-N 2 2 347.488 2.284 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1)n1cc[nH+]c1 ZINC001441398572 1094967627 /nfs/dbraw/zinc/96/76/27/1094967627.db2.gz NKQPAGOIQGZBFM-XLAORIBOSA-N 2 2 348.491 2.276 10 0 EEAELP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)c(C)s1 ZINC001441549673 1095278083 /nfs/dbraw/zinc/27/80/83/1095278083.db2.gz ORNGDUNKEQQHRC-GASCZTMLSA-N 2 2 347.488 2.174 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001441580091 1095381747 /nfs/dbraw/zinc/38/17/47/1095381747.db2.gz IQTPQQUQCKQSCY-QFBILLFUSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001441580091 1095381755 /nfs/dbraw/zinc/38/17/55/1095381755.db2.gz IQTPQQUQCKQSCY-QFBILLFUSA-N 2 2 338.455 2.399 10 0 EEAELP CC(C)C[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccccn1)n1cc[nH+]c1 ZINC001441849202 1095932212 /nfs/dbraw/zinc/93/22/12/1095932212.db2.gz ZYFHRANASFXAOM-WBVHZDCISA-N 2 2 329.448 2.160 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001441979922 1096184339 /nfs/dbraw/zinc/18/43/39/1096184339.db2.gz ZVBKSDLIXRYHTN-QLJPJBMISA-N 2 2 334.370 2.012 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001442074813 1096289680 /nfs/dbraw/zinc/28/96/80/1096289680.db2.gz UCYPBQUELLDFKT-KMFMINBZSA-N 2 2 348.397 2.026 10 0 EEAELP C[C@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC=C(Cl)Cl ZINC001442279516 1096589836 /nfs/dbraw/zinc/58/98/36/1096589836.db2.gz ZSGGYONLJVECEI-NEPJUHHUSA-N 2 2 345.274 2.249 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC001442591537 1096960504 /nfs/dbraw/zinc/96/05/04/1096960504.db2.gz WKYPEQZQVFJAHB-UHFFFAOYSA-N 2 2 340.471 2.478 10 0 EEAELP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001444081997 1098610335 /nfs/dbraw/zinc/61/03/35/1098610335.db2.gz TUYDAMGPCIUYTE-CABCVRRESA-N 2 2 336.455 2.212 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc2cnccc2C)c[nH+]1 ZINC001444320459 1098883045 /nfs/dbraw/zinc/88/30/45/1098883045.db2.gz HXMQCIZHLPQBEE-AWEZNQCLSA-N 2 2 343.475 2.172 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001444352752 1098916133 /nfs/dbraw/zinc/91/61/33/1098916133.db2.gz LZDWKJAIXAPONA-KGLIPLIRSA-N 2 2 328.407 2.051 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccncc2Cl)C1)n1cc[nH+]c1 ZINC001480226525 1099846844 /nfs/dbraw/zinc/84/68/44/1099846844.db2.gz TWKKZIJUOWMWJV-AEGPPILISA-N 2 2 347.850 2.320 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001446398968 1100792059 /nfs/dbraw/zinc/79/20/59/1100792059.db2.gz NLNUGWNYIREPAU-OAHLLOKOSA-N 2 2 333.476 2.241 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001446398968 1100792082 /nfs/dbraw/zinc/79/20/82/1100792082.db2.gz NLNUGWNYIREPAU-OAHLLOKOSA-N 2 2 333.476 2.241 10 0 EEAELP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001495168708 1100842737 /nfs/dbraw/zinc/84/27/37/1100842737.db2.gz OPDTVPLNGRMNTQ-CABCVRRESA-N 2 2 336.455 2.212 10 0 EEAELP Cc1cnc(C[NH2+]C[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)o1 ZINC001495281133 1100979261 /nfs/dbraw/zinc/97/92/61/1100979261.db2.gz MENWIUWTXPCFCF-ACJLOTCBSA-N 2 2 345.447 2.205 10 0 EEAELP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001446555349 1101028480 /nfs/dbraw/zinc/02/84/80/1101028480.db2.gz FBJKFVBKMLGUAE-SFHVURJKSA-N 2 2 337.414 2.141 10 0 EEAELP C[C@]1(NC(=O)C[NH+]2CCCC2)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001446555349 1101028489 /nfs/dbraw/zinc/02/84/89/1101028489.db2.gz FBJKFVBKMLGUAE-SFHVURJKSA-N 2 2 337.414 2.141 10 0 EEAELP Cc1cnc(C[NH2+]C[C@]2(NC(=O)C[NH+]3CCCC3)CCCC[C@H]2C)o1 ZINC001495334996 1101043573 /nfs/dbraw/zinc/04/35/73/1101043573.db2.gz XJHLCATXBSOMEU-DNVCBOLYSA-N 2 2 348.491 2.234 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)Cn3cc[nH+]c3)C2)cc1C ZINC001446567338 1101051742 /nfs/dbraw/zinc/05/17/42/1101051742.db2.gz SDPPLVFQTKBRFI-LJQANCHMSA-N 2 2 326.444 2.281 10 0 EEAELP Cc1ncc(C[NH2+]CCC2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC001495427895 1101145602 /nfs/dbraw/zinc/14/56/02/1101145602.db2.gz AJGGUYBPTRKNEZ-UHFFFAOYSA-N 2 2 347.488 2.136 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1csc(C2CC2)n1 ZINC001496642595 1101247410 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2.464 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CCc2[nH+]ccn2C)cc1F ZINC001497232148 1102164876 /nfs/dbraw/zinc/16/48/76/1102164876.db2.gz CMBNMLLWKGMNDE-OAHLLOKOSA-N 2 2 346.450 2.485 10 0 EEAELP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001497485459 1102563660 /nfs/dbraw/zinc/56/36/60/1102563660.db2.gz CVSASDRDPJTQPC-UHFFFAOYSA-N 2 2 349.504 2.399 10 0 EEAELP Cc1c(C(=O)NC/C=C/C[NH2+]Cc2cscn2)ccc2c[nH+]cn21 ZINC001497619766 1102758967 /nfs/dbraw/zinc/75/89/67/1102758967.db2.gz GPWZWXJGUMRFDI-NSCUHMNNSA-N 2 2 341.440 2.175 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001494027945 1103379651 /nfs/dbraw/zinc/37/96/51/1103379651.db2.gz IFKNZCBTFFPUHJ-GOEBONIOSA-N 2 2 337.439 2.209 10 0 EEAELP CC[C@@H](F)C[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001494027945 1103379660 /nfs/dbraw/zinc/37/96/60/1103379660.db2.gz IFKNZCBTFFPUHJ-GOEBONIOSA-N 2 2 337.439 2.209 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001448137676 1104085575 /nfs/dbraw/zinc/08/55/75/1104085575.db2.gz DIUVUONSUKJBRM-CABCVRRESA-N 2 2 330.432 2.089 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001448137676 1104085586 /nfs/dbraw/zinc/08/55/86/1104085586.db2.gz DIUVUONSUKJBRM-CABCVRRESA-N 2 2 330.432 2.089 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cc(-c2ccco2)on1 ZINC001448146363 1104107092 /nfs/dbraw/zinc/10/70/92/1104107092.db2.gz SKMJUOFDOXBFGA-AWEZNQCLSA-N 2 2 348.447 2.211 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cc(-c2ccco2)on1 ZINC001448146363 1104107098 /nfs/dbraw/zinc/10/70/98/1104107098.db2.gz SKMJUOFDOXBFGA-AWEZNQCLSA-N 2 2 348.447 2.211 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001448146363 1104107103 /nfs/dbraw/zinc/10/71/03/1104107103.db2.gz SKMJUOFDOXBFGA-AWEZNQCLSA-N 2 2 348.447 2.211 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001448146363 1104107107 /nfs/dbraw/zinc/10/71/07/1104107107.db2.gz 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C[C@H](CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000422818108 240245921 /nfs/dbraw/zinc/24/59/21/240245921.db2.gz FPYKXZNIHOMCRW-LSTHTHJFSA-N 3 2 331.504 2.254 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(O[C@@H]2CCOC2)c1 ZINC000422882215 240274707 /nfs/dbraw/zinc/27/47/07/240274707.db2.gz ZQFKJRNOXBTSBV-MISYRCLQSA-N 2 2 346.471 2.019 10 0 EEAELP FC(F)(F)Oc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422897381 240281181 /nfs/dbraw/zinc/28/11/81/240281181.db2.gz ZTTVXCAGRKSBDS-CVEARBPZSA-N 2 2 344.377 2.484 10 0 EEAELP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000236701853 242324789 /nfs/dbraw/zinc/32/47/89/242324789.db2.gz ZEOSOVOHGRRQJC-MLGOLLRUSA-N 2 2 339.430 2.419 10 0 EEAELP CC(C)(C)[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000236701853 242324794 /nfs/dbraw/zinc/32/47/94/242324794.db2.gz ZEOSOVOHGRRQJC-MLGOLLRUSA-N 2 2 339.430 2.419 10 0 EEAELP CN(CC1CC1)C(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459488955 245141267 /nfs/dbraw/zinc/14/12/67/245141267.db2.gz WSPPKUPMJJQPCR-UHFFFAOYSA-N 2 2 338.455 2.225 10 0 EEAELP COc1cc(Br)c(C[NH2+]CCc2cn(C)c[nH+]2)cc1O ZINC000459666218 245202433 /nfs/dbraw/zinc/20/24/33/245202433.db2.gz RBEWBDUTCJLXIT-UHFFFAOYSA-N 2 2 340.221 2.229 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000459726564 245226191 /nfs/dbraw/zinc/22/61/91/245226191.db2.gz XXKPRDHEGDHJMB-QGZVFWFLSA-N 2 2 348.878 2.361 10 0 EEAELP Brc1ccccc1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422829994 532972423 /nfs/dbraw/zinc/97/24/23/532972423.db2.gz QJIOIRGDWSMTOC-JKSUJKDBSA-N 2 2 339.277 2.348 10 0 EEAELP COC[C@]1(C[NH2+]Cc2ccc(Br)cc2OC)CCC[NH2+]1 ZINC000414946782 285486509 /nfs/dbraw/zinc/48/65/09/285486509.db2.gz SWTFYQDVIWZTBW-OAHLLOKOSA-N 2 2 343.265 2.316 10 0 EEAELP CCN(C(=O)[C@H](C)C[NH3+])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000262479193 152284061 /nfs/dbraw/zinc/28/40/61/152284061.db2.gz ZGHRKSKDGGXWBQ-CQSZACIVSA-N 2 2 347.507 2.321 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000357696279 153291716 /nfs/dbraw/zinc/29/17/16/153291716.db2.gz VRBHQZWTNIIBHM-QGZVFWFLSA-N 2 2 330.476 2.303 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000357696279 153291719 /nfs/dbraw/zinc/29/17/19/153291719.db2.gz VRBHQZWTNIIBHM-QGZVFWFLSA-N 2 2 330.476 2.303 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[N@@H+]1C ZINC000123712715 292283368 /nfs/dbraw/zinc/28/33/68/292283368.db2.gz FYKRQURUEOIUMB-GDBMZVCRSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[N@H+]1C ZINC000123712715 292283370 /nfs/dbraw/zinc/28/33/70/292283370.db2.gz FYKRQURUEOIUMB-GDBMZVCRSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[NH+]1C ZINC000123712715 292283371 /nfs/dbraw/zinc/28/33/71/292283371.db2.gz FYKRQURUEOIUMB-GDBMZVCRSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[NH+]1C ZINC000123712715 292283372 /nfs/dbraw/zinc/28/33/72/292283372.db2.gz FYKRQURUEOIUMB-GDBMZVCRSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@@]1(C[NH+]2CCN(C(=O)Cc3cccc(Cl)c3)CC2)CC[NH2+]C1 ZINC000261990612 160432286 /nfs/dbraw/zinc/43/22/86/160432286.db2.gz KGENMRWWYKWIMF-GOSISDBHSA-N 2 2 335.879 2.026 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000074534626 159066961 /nfs/dbraw/zinc/06/69/61/159066961.db2.gz AAKSAFSBHJJDHS-INIZCTEOSA-N 2 2 333.480 2.309 10 0 EEAELP COc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1OC ZINC000092079407 159214503 /nfs/dbraw/zinc/21/45/03/159214503.db2.gz GCANSPNSAJISCX-OAHLLOKOSA-N 2 2 334.460 2.389 10 0 EEAELP COc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1OC ZINC000092079407 159214505 /nfs/dbraw/zinc/21/45/05/159214505.db2.gz GCANSPNSAJISCX-OAHLLOKOSA-N 2 2 334.460 2.389 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186528088 160073454 /nfs/dbraw/zinc/07/34/54/160073454.db2.gz SWZMIVFKOQLLDJ-MRXNPFEDSA-N 2 2 333.480 2.034 10 0 EEAELP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000187788114 160108898 /nfs/dbraw/zinc/10/88/98/160108898.db2.gz UHNGXBBRYKNHMC-IBGZPJMESA-N 2 2 333.476 2.077 10 0 EEAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188771852 160128058 /nfs/dbraw/zinc/12/80/58/160128058.db2.gz MAFPLZYSGXULFX-UHFFFAOYSA-N 2 2 335.367 2.495 10 0 EEAELP CCO[C@@H]1C[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000189430833 160141619 /nfs/dbraw/zinc/14/16/19/160141619.db2.gz JZBGNEWDMGPIDP-UYAOXDASSA-N 2 2 347.503 2.202 10 0 EEAELP Cc1ccc([C@@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)o1 ZINC000192778422 160173478 /nfs/dbraw/zinc/17/34/78/160173478.db2.gz WLGLYJSZWWDYEP-IBGZPJMESA-N 2 2 335.492 2.377 10 0 EEAELP Cc1ccc([C@@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)o1 ZINC000192778422 160173479 /nfs/dbraw/zinc/17/34/79/160173479.db2.gz WLGLYJSZWWDYEP-IBGZPJMESA-N 2 2 335.492 2.377 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000245429555 160234616 /nfs/dbraw/zinc/23/46/16/160234616.db2.gz YRAMBNKGSIMWSW-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000245429555 160234618 /nfs/dbraw/zinc/23/46/18/160234618.db2.gz YRAMBNKGSIMWSW-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000245429555 160234620 /nfs/dbraw/zinc/23/46/20/160234620.db2.gz YRAMBNKGSIMWSW-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3c(C)csc3n2)[C@@H](C)C1 ZINC000245445475 160235609 /nfs/dbraw/zinc/23/56/09/160235609.db2.gz YWUWVBOGXAWOJI-WFASDCNBSA-N 2 2 334.489 2.227 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3c(C)csc3n2)[C@@H](C)C1 ZINC000245445475 160235610 /nfs/dbraw/zinc/23/56/10/160235610.db2.gz YWUWVBOGXAWOJI-WFASDCNBSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)n3c(C)csc3n2)[C@@H](C)C1 ZINC000245445475 160235611 /nfs/dbraw/zinc/23/56/11/160235611.db2.gz YWUWVBOGXAWOJI-WFASDCNBSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)n3c(C)csc3n2)[C@@H](C)C1 ZINC000245445475 160235612 /nfs/dbraw/zinc/23/56/12/160235612.db2.gz YWUWVBOGXAWOJI-WFASDCNBSA-N 2 2 334.489 2.227 10 0 EEAELP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245494477 160238924 /nfs/dbraw/zinc/23/89/24/160238924.db2.gz NNRNGLWDLSTQBE-YJBOKZPZSA-N 2 2 339.443 2.423 10 0 EEAELP C[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245494477 160238926 /nfs/dbraw/zinc/23/89/26/160238926.db2.gz NNRNGLWDLSTQBE-YJBOKZPZSA-N 2 2 339.443 2.423 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147764 160339117 /nfs/dbraw/zinc/33/91/17/160339117.db2.gz QJQURQPHKQIQPF-DOTOQJQBSA-N 2 2 335.879 2.372 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147764 160339119 /nfs/dbraw/zinc/33/91/19/160339119.db2.gz QJQURQPHKQIQPF-DOTOQJQBSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147764 160339120 /nfs/dbraw/zinc/33/91/20/160339120.db2.gz QJQURQPHKQIQPF-DOTOQJQBSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147764 160339121 /nfs/dbraw/zinc/33/91/21/160339121.db2.gz QJQURQPHKQIQPF-DOTOQJQBSA-N 2 2 335.879 2.372 10 0 EEAELP COc1cc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc2c1OCO2 ZINC000343666460 161156880 /nfs/dbraw/zinc/15/68/80/161156880.db2.gz FKPIWEUHOUPSIO-UHFFFAOYSA-N 2 2 341.411 2.450 10 0 EEAELP COC(=O)CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCOCC1 ZINC000344032921 161192177 /nfs/dbraw/zinc/19/21/77/161192177.db2.gz AAIWXEVUIOVOHN-UHFFFAOYSA-N 2 2 335.429 2.136 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000344990290 161262121 /nfs/dbraw/zinc/26/21/21/161262121.db2.gz KZNKBYBRCBPUDC-QFBILLFUSA-N 2 2 343.475 2.339 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000344990290 161262122 /nfs/dbraw/zinc/26/21/22/161262122.db2.gz KZNKBYBRCBPUDC-QFBILLFUSA-N 2 2 343.475 2.339 10 0 EEAELP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000344990290 161262123 /nfs/dbraw/zinc/26/21/23/161262123.db2.gz KZNKBYBRCBPUDC-QFBILLFUSA-N 2 2 343.475 2.339 10 0 EEAELP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000344990290 161262124 /nfs/dbraw/zinc/26/21/24/161262124.db2.gz KZNKBYBRCBPUDC-QFBILLFUSA-N 2 2 343.475 2.339 10 0 EEAELP CCc1cccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000346310899 161361941 /nfs/dbraw/zinc/36/19/41/161361941.db2.gz VCSFETSTVKUUDK-UHFFFAOYSA-N 2 2 325.460 2.427 10 0 EEAELP C[NH+](C)CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1 ZINC000352335246 162093255 /nfs/dbraw/zinc/09/32/55/162093255.db2.gz SPXRSTLQJSTWMW-UHFFFAOYSA-N 2 2 335.411 2.476 10 0 EEAELP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376674625 167373490 /nfs/dbraw/zinc/37/34/90/167373490.db2.gz UCQZNJDSUUQBTD-NVXWUHKLSA-N 2 2 345.491 2.188 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000123875538 222345988 /nfs/dbraw/zinc/34/59/88/222345988.db2.gz IJAQJHHGNYRISR-HKUYNNGSSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCCN(C)c2ccccc2)CC[N@H+]1C ZINC000123875538 222345992 /nfs/dbraw/zinc/34/59/92/222345992.db2.gz IJAQJHHGNYRISR-HKUYNNGSSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCCCN(C)c2ccccc2)CC[NH+]1C ZINC000123875538 222345998 /nfs/dbraw/zinc/34/59/98/222345998.db2.gz IJAQJHHGNYRISR-HKUYNNGSSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCCCN(C)c2ccccc2)CC[NH+]1C ZINC000123875538 222346002 /nfs/dbraw/zinc/34/60/02/222346002.db2.gz IJAQJHHGNYRISR-HKUYNNGSSA-N 2 2 346.519 2.044 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cn21 ZINC000171765316 227270750 /nfs/dbraw/zinc/27/07/50/227270750.db2.gz UHDBEWYZYKECPL-MRXNPFEDSA-N 2 2 327.432 2.022 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)cn21 ZINC000171765316 227270758 /nfs/dbraw/zinc/27/07/58/227270758.db2.gz UHDBEWYZYKECPL-MRXNPFEDSA-N 2 2 327.432 2.022 10 0 EEAELP COCC[N@@H+]1CC[C@@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000274724175 269046474 /nfs/dbraw/zinc/04/64/74/269046474.db2.gz FTRPBCGGDOIZRK-WOJBJXKFSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[N@H+]1CC[C@@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000274724175 269046479 /nfs/dbraw/zinc/04/64/79/269046479.db2.gz FTRPBCGGDOIZRK-WOJBJXKFSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[NH+]1CC[C@@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000274724175 269046481 /nfs/dbraw/zinc/04/64/81/269046481.db2.gz FTRPBCGGDOIZRK-WOJBJXKFSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[NH+]1CC[C@@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000274724175 269046483 /nfs/dbraw/zinc/04/64/83/269046483.db2.gz FTRPBCGGDOIZRK-WOJBJXKFSA-N 2 2 331.504 2.207 10 0 EEAELP COCCN1CC[C@@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000274724175 269046485 /nfs/dbraw/zinc/04/64/85/269046485.db2.gz FTRPBCGGDOIZRK-WOJBJXKFSA-N 2 2 331.504 2.207 10 0 EEAELP COCCN1CC[C@@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000274724175 269046487 /nfs/dbraw/zinc/04/64/87/269046487.db2.gz FTRPBCGGDOIZRK-WOJBJXKFSA-N 2 2 331.504 2.207 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000171810389 311411291 /nfs/dbraw/zinc/41/12/91/311411291.db2.gz JCWGSCVMVOGFEB-QGZVFWFLSA-N 2 2 348.491 2.112 10 0 EEAELP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC3(CC[NH2+]3)CC2)nc[nH+]1 ZINC000333286777 312124992 /nfs/dbraw/zinc/12/49/92/312124992.db2.gz NMDKDCNRDBCHBE-MAUKXSAKSA-N 2 2 345.491 2.424 10 0 EEAELP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC3(CC[NH2+]3)CC2)[nH+]cn1 ZINC000333286777 312124994 /nfs/dbraw/zinc/12/49/94/312124994.db2.gz NMDKDCNRDBCHBE-MAUKXSAKSA-N 2 2 345.491 2.424 10 0 EEAELP C[C@@H](NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000416896274 313353023 /nfs/dbraw/zinc/35/30/23/313353023.db2.gz VHXGYVSNZPZKOS-WDMOLILDSA-N 2 2 335.839 2.198 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C[C@@H]21 ZINC000416939244 313367435 /nfs/dbraw/zinc/36/74/35/313367435.db2.gz MTBXTRRBJYBUKS-BYCMXARLSA-N 2 2 347.850 2.257 10 0 EEAELP C[C@H]1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[C@@H]1C[NH3+] ZINC000416942409 313367793 /nfs/dbraw/zinc/36/77/93/313367793.db2.gz RZECFELTHNPYSC-RYUDHWBXSA-N 2 2 335.839 2.114 10 0 EEAELP Cc1cc2c(ncnc2N2CC[NH+](CCn3cc[nH+]c3C)CC2)s1 ZINC000444710205 315318395 /nfs/dbraw/zinc/31/83/95/315318395.db2.gz RSTORXUYBYWQCG-UHFFFAOYSA-N 2 2 342.472 2.327 10 0 EEAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CC(F)(F)C1 ZINC000529529637 317607366 /nfs/dbraw/zinc/60/73/66/317607366.db2.gz AWIIADXAVVLENE-AWEZNQCLSA-N 2 2 339.434 2.012 10 0 EEAELP Cc1ccc(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000533586517 317922110 /nfs/dbraw/zinc/92/21/10/317922110.db2.gz NLRDMTFHKSNZRF-UHFFFAOYSA-N 2 2 333.476 2.197 10 0 EEAELP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542159846 318122837 /nfs/dbraw/zinc/12/28/37/318122837.db2.gz JUUZFKDBIRDESY-GOEBONIOSA-N 2 2 341.459 2.219 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1=O ZINC000542157503 318122917 /nfs/dbraw/zinc/12/29/17/318122917.db2.gz AZTOOUOFIXZCAT-IRXDYDNUSA-N 2 2 342.418 2.327 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(F)c1 ZINC000542158755 318122953 /nfs/dbraw/zinc/12/29/53/318122953.db2.gz NLNFZOIRQKJWQJ-CZUORRHYSA-N 2 2 330.407 2.401 10 0 EEAELP COC(=O)CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1CCCO1 ZINC000543393827 318157448 /nfs/dbraw/zinc/15/74/48/318157448.db2.gz MSOBIOGMAUMGCH-HNNXBMFYSA-N 2 2 349.456 2.478 10 0 EEAELP COC(=O)CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1CCCO1 ZINC000543393827 318157451 /nfs/dbraw/zinc/15/74/51/318157451.db2.gz MSOBIOGMAUMGCH-HNNXBMFYSA-N 2 2 349.456 2.478 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000544016452 318178683 /nfs/dbraw/zinc/17/86/83/318178683.db2.gz GXDQUUAGAQKQGX-YOEHRIQHSA-N 2 2 342.443 2.271 10 0 EEAELP [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000560960141 318818421 /nfs/dbraw/zinc/81/84/21/318818421.db2.gz XELJNFRSHWBYKL-QWHCGFSZSA-N 2 2 337.493 2.378 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563958259 319059575 /nfs/dbraw/zinc/05/95/75/319059575.db2.gz OLOBODLCNSOAFJ-KUHUBIRLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563958259 319059576 /nfs/dbraw/zinc/05/95/76/319059576.db2.gz OLOBODLCNSOAFJ-KUHUBIRLSA-N 2 2 347.459 2.106 10 0 EEAELP CC(C)[N@@H+]1CCc2c(c3ccccc3n2Cc2nc(C[NH3+])no2)C1 ZINC000565598404 319197013 /nfs/dbraw/zinc/19/70/13/319197013.db2.gz YFOZATLCOZXBJV-UHFFFAOYSA-N 2 2 325.416 2.298 10 0 EEAELP CC(C)[N@H+]1CCc2c(c3ccccc3n2Cc2nc(C[NH3+])no2)C1 ZINC000565598404 319197015 /nfs/dbraw/zinc/19/70/15/319197015.db2.gz YFOZATLCOZXBJV-UHFFFAOYSA-N 2 2 325.416 2.298 10 0 EEAELP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000566294723 319270841 /nfs/dbraw/zinc/27/08/41/319270841.db2.gz JLBCRMRBKADRLH-WBAXXEDZSA-N 2 2 332.492 2.186 10 0 EEAELP CC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000566294723 319270843 /nfs/dbraw/zinc/27/08/43/319270843.db2.gz JLBCRMRBKADRLH-WBAXXEDZSA-N 2 2 332.492 2.186 10 0 EEAELP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000566853843 319327083 /nfs/dbraw/zinc/32/70/83/319327083.db2.gz KCHOJPRJXVKAST-GOSISDBHSA-N 2 2 349.438 2.145 10 0 EEAELP [NH3+]CC[N@H+](CCc1ccccc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000575401408 320104592 /nfs/dbraw/zinc/10/45/92/320104592.db2.gz XOGCUMJDHSAOBT-UHFFFAOYSA-N 2 2 339.418 2.410 10 0 EEAELP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1ccc(-n2cncn2)c(F)c1 ZINC000575401408 320104594 /nfs/dbraw/zinc/10/45/94/320104594.db2.gz XOGCUMJDHSAOBT-UHFFFAOYSA-N 2 2 339.418 2.410 10 0 EEAELP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000578374656 320310887 /nfs/dbraw/zinc/31/08/87/320310887.db2.gz GFLIUYJAASLQDP-HZPDHXFCSA-N 2 2 339.911 2.331 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000578374656 320310889 /nfs/dbraw/zinc/31/08/89/320310889.db2.gz GFLIUYJAASLQDP-HZPDHXFCSA-N 2 2 339.911 2.331 10 0 EEAELP COC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000183000060 323394590 /nfs/dbraw/zinc/39/45/90/323394590.db2.gz KDVQIWIHZARHKQ-DYVFJYSZSA-N 2 2 328.403 2.210 10 0 EEAELP COC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000183000040 323394853 /nfs/dbraw/zinc/39/48/53/323394853.db2.gz KDVQIWIHZARHKQ-GUYCJALGSA-N 2 2 328.403 2.210 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCC[C@@H](CC[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529369606 448845391 /nfs/dbraw/zinc/84/53/91/448845391.db2.gz ZBNALMBIUPTBCN-HNNXBMFYSA-N 2 2 348.495 2.091 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCC[C@H](CC[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529369607 448844929 /nfs/dbraw/zinc/84/49/29/448844929.db2.gz ZBNALMBIUPTBCN-OAHLLOKOSA-N 2 2 348.495 2.091 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCCSC2)([NH+]2CCCCC2)CC1 ZINC000354653739 465075448 /nfs/dbraw/zinc/07/54/48/465075448.db2.gz CUXXFMVQNKRIAY-MRXNPFEDSA-N 2 2 339.549 2.196 10 0 EEAELP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccc1O ZINC000354730739 465120143 /nfs/dbraw/zinc/12/01/43/465120143.db2.gz OGWKSTZFOXELDO-UHFFFAOYSA-N 2 2 345.487 2.381 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000341359794 465129603 /nfs/dbraw/zinc/12/96/03/465129603.db2.gz SEPJEYLZKQMCJY-IAGOWNOFSA-N 2 2 345.491 2.176 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cn1 ZINC000339250648 465166915 /nfs/dbraw/zinc/16/69/15/465166915.db2.gz XCXBIJVGVWZNTB-UHFFFAOYSA-N 2 2 339.443 2.068 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351612802 465251137 /nfs/dbraw/zinc/25/11/37/465251137.db2.gz YCDYZVNZIAHEBW-IFXJQAMLSA-N 3 2 328.460 2.286 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351612802 465251144 /nfs/dbraw/zinc/25/11/44/465251144.db2.gz YCDYZVNZIAHEBW-IFXJQAMLSA-N 3 2 328.460 2.286 10 0 EEAELP CC[NH+](CC)CCOCCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000347907972 465301752 /nfs/dbraw/zinc/30/17/52/465301752.db2.gz QJEOEZPQNWLWJZ-UHFFFAOYSA-N 2 2 329.448 2.039 10 0 EEAELP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000076830655 462914068 /nfs/dbraw/zinc/91/40/68/462914068.db2.gz WHFALJOSDTWKPP-MRXNPFEDSA-N 2 2 326.444 2.431 10 0 EEAELP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000076830655 462914073 /nfs/dbraw/zinc/91/40/73/462914073.db2.gz WHFALJOSDTWKPP-MRXNPFEDSA-N 2 2 326.444 2.431 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3ccc4ccccc4n3)CC2)cc[nH+]1 ZINC000134090360 463002641 /nfs/dbraw/zinc/00/26/41/463002641.db2.gz UXOUQDYDONNCGK-UHFFFAOYSA-N 2 2 348.454 2.413 10 0 EEAELP FC(F)(F)c1ccc(O[C@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000093329188 463027029 /nfs/dbraw/zinc/02/70/29/463027029.db2.gz PGHQCIAHJVDICZ-ZDUSSCGKSA-N 2 2 326.322 2.450 10 0 EEAELP FC(F)(F)c1ccc(O[C@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000093329188 463027030 /nfs/dbraw/zinc/02/70/30/463027030.db2.gz PGHQCIAHJVDICZ-ZDUSSCGKSA-N 2 2 326.322 2.450 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000157707000 463159833 /nfs/dbraw/zinc/15/98/33/463159833.db2.gz FNNZHBHKYLQZDH-GDBMZVCRSA-N 2 2 349.523 2.150 10 0 EEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCc3ccccc3F)CC2)C1 ZINC000137593555 463296858 /nfs/dbraw/zinc/29/68/58/463296858.db2.gz BKHORXUIPAFSJM-LJQANCHMSA-N 2 2 349.494 2.095 10 0 EEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCc3ccccc3F)CC2)C1 ZINC000137593555 463296866 /nfs/dbraw/zinc/29/68/66/463296866.db2.gz BKHORXUIPAFSJM-LJQANCHMSA-N 2 2 349.494 2.095 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123370509 463337022 /nfs/dbraw/zinc/33/70/22/463337022.db2.gz YPKHGVUENZMGJA-QZTJIDSGSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123370509 463337026 /nfs/dbraw/zinc/33/70/26/463337026.db2.gz YPKHGVUENZMGJA-QZTJIDSGSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123370509 463337031 /nfs/dbraw/zinc/33/70/31/463337031.db2.gz YPKHGVUENZMGJA-QZTJIDSGSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123370509 463337036 /nfs/dbraw/zinc/33/70/36/463337036.db2.gz YPKHGVUENZMGJA-QZTJIDSGSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000568532233 468353316 /nfs/dbraw/zinc/35/33/16/468353316.db2.gz CRMJIBKNLFSWBI-VXESANQCSA-N 2 2 329.488 2.246 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000568532233 468353319 /nfs/dbraw/zinc/35/33/19/468353319.db2.gz CRMJIBKNLFSWBI-VXESANQCSA-N 2 2 329.488 2.246 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123659003 463359741 /nfs/dbraw/zinc/35/97/41/463359741.db2.gz WSZPWVBWRIVNEI-ZIAGYGMSSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123659003 463359745 /nfs/dbraw/zinc/35/97/45/463359745.db2.gz WSZPWVBWRIVNEI-ZIAGYGMSSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123659003 463359748 /nfs/dbraw/zinc/35/97/48/463359748.db2.gz WSZPWVBWRIVNEI-ZIAGYGMSSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123659003 463359751 /nfs/dbraw/zinc/35/97/51/463359751.db2.gz WSZPWVBWRIVNEI-ZIAGYGMSSA-N 2 2 337.430 2.448 10 0 EEAELP [NH3+]CCCC(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000031959313 463360045 /nfs/dbraw/zinc/36/00/45/463360045.db2.gz RZOXNLVWLDWFRF-UHFFFAOYSA-N 2 2 330.457 2.379 10 0 EEAELP [NH3+]CCCC(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000031959313 463360051 /nfs/dbraw/zinc/36/00/51/463360051.db2.gz RZOXNLVWLDWFRF-UHFFFAOYSA-N 2 2 330.457 2.379 10 0 EEAELP C[NH2+]CCCCCCN(C)c1nc2cc(OC)c(OC)cc2c(N)[nH+]1 ZINC000039051971 463449070 /nfs/dbraw/zinc/44/90/70/463449070.db2.gz UOYJIHVLWDFQKN-UHFFFAOYSA-N 2 2 347.463 2.445 10 0 EEAELP Cc1cnn(C[C@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000071874989 463450274 /nfs/dbraw/zinc/45/02/74/463450274.db2.gz SMKBLHWMWBMPAE-IRXDYDNUSA-N 2 2 341.459 2.197 10 0 EEAELP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000081572474 463463375 /nfs/dbraw/zinc/46/33/75/463463375.db2.gz VABNSKMBEMSPIL-KRWDZBQOSA-N 2 2 342.487 2.287 10 0 EEAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000081572474 463463377 /nfs/dbraw/zinc/46/33/77/463463377.db2.gz VABNSKMBEMSPIL-KRWDZBQOSA-N 2 2 342.487 2.287 10 0 EEAELP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000081572474 463463381 /nfs/dbraw/zinc/46/33/81/463463381.db2.gz VABNSKMBEMSPIL-KRWDZBQOSA-N 2 2 342.487 2.287 10 0 EEAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000081572474 463463386 /nfs/dbraw/zinc/46/33/86/463463386.db2.gz VABNSKMBEMSPIL-KRWDZBQOSA-N 2 2 342.487 2.287 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000151261397 463501769 /nfs/dbraw/zinc/50/17/69/463501769.db2.gz CPHCRXMINAKNEI-QAPCUYQASA-N 2 2 347.459 2.141 10 0 EEAELP Cn1cc[nH+]c1CC1CCN(C(=O)Cc2cn3ccccc3[nH+]2)CC1 ZINC000162644990 463527723 /nfs/dbraw/zinc/52/77/23/463527723.db2.gz IOMNVDHNCIIOBU-UHFFFAOYSA-N 2 2 337.427 2.092 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@H]3CCO[C@H]3c3cnn(C)c3)c[nH+]c12 ZINC000084247948 463587329 /nfs/dbraw/zinc/58/73/29/463587329.db2.gz MOLORGCCXPMHKE-RHSMWYFYSA-N 2 2 325.416 2.244 10 0 EEAELP [NH3+]C1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCOCC1 ZINC000261797176 463864341 /nfs/dbraw/zinc/86/43/41/463864341.db2.gz IPOPKWUNZQLVMD-UHFFFAOYSA-N 2 2 340.427 2.333 10 0 EEAELP O=C(NCCn1cc[nH+]c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171531367 463878003 /nfs/dbraw/zinc/87/80/03/463878003.db2.gz VTUKNVBRDXRQHR-KRWDZBQOSA-N 2 2 333.480 2.181 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)N(C)C)cc1 ZINC000261865562 463882757 /nfs/dbraw/zinc/88/27/57/463882757.db2.gz COKMBMFFRFUKPV-YRPNKDGESA-N 2 2 331.504 2.344 10 0 EEAELP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000261997079 463921681 /nfs/dbraw/zinc/92/16/81/463921681.db2.gz UDZZKMFFGKOGMF-RCCFBDPRSA-N 3 2 326.444 2.119 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351912376 465437609 /nfs/dbraw/zinc/43/76/09/465437609.db2.gz IBEUBDCECKCHAU-OAHLLOKOSA-N 2 2 335.496 2.411 10 0 EEAELP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000269687388 464058170 /nfs/dbraw/zinc/05/81/70/464058170.db2.gz NDFZMUBOVBVVFC-FUHWJXTLSA-N 2 2 347.528 2.157 10 0 EEAELP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000269687388 464058173 /nfs/dbraw/zinc/05/81/73/464058173.db2.gz NDFZMUBOVBVVFC-FUHWJXTLSA-N 2 2 347.528 2.157 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@H]2c2ccco2)CC1 ZINC000179318768 464104920 /nfs/dbraw/zinc/10/49/20/464104920.db2.gz UDUZWYWVMCEUPU-INIZCTEOSA-N 2 2 334.464 2.152 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000270966685 464273218 /nfs/dbraw/zinc/27/32/18/464273218.db2.gz BBMVHONHKVCTNG-ZACQAIPSSA-N 2 2 339.430 2.412 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000270966685 464273223 /nfs/dbraw/zinc/27/32/23/464273223.db2.gz BBMVHONHKVCTNG-ZACQAIPSSA-N 2 2 339.430 2.412 10 0 EEAELP COc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)n1 ZINC000284816809 464353822 /nfs/dbraw/zinc/35/38/22/464353822.db2.gz LKNSSWMKGNJNHC-HNAYVOBHSA-N 2 2 343.475 2.339 10 0 EEAELP COc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)n1 ZINC000284816809 464353825 /nfs/dbraw/zinc/35/38/25/464353825.db2.gz LKNSSWMKGNJNHC-HNAYVOBHSA-N 2 2 343.475 2.339 10 0 EEAELP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284816809 464353827 /nfs/dbraw/zinc/35/38/27/464353827.db2.gz LKNSSWMKGNJNHC-HNAYVOBHSA-N 2 2 343.475 2.339 10 0 EEAELP COc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)n1 ZINC000284816809 464353834 /nfs/dbraw/zinc/35/38/34/464353834.db2.gz LKNSSWMKGNJNHC-HNAYVOBHSA-N 2 2 343.475 2.339 10 0 EEAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284875912 464376317 /nfs/dbraw/zinc/37/63/17/464376317.db2.gz QGSHMBKGZNEKBU-XYJFISCASA-N 2 2 330.480 2.068 10 0 EEAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000284875912 464376320 /nfs/dbraw/zinc/37/63/20/464376320.db2.gz QGSHMBKGZNEKBU-XYJFISCASA-N 2 2 330.480 2.068 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000181005312 464432115 /nfs/dbraw/zinc/43/21/15/464432115.db2.gz DEEJHCNATXRAGZ-CABCVRRESA-N 2 2 349.479 2.055 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1 ZINC000190006127 464583340 /nfs/dbraw/zinc/58/33/40/464583340.db2.gz INIXUHARJHCNIB-HZPDHXFCSA-N 2 2 337.512 2.165 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1 ZINC000190006127 464583343 /nfs/dbraw/zinc/58/33/43/464583343.db2.gz INIXUHARJHCNIB-HZPDHXFCSA-N 2 2 337.512 2.165 10 0 EEAELP COC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286097314 464802323 /nfs/dbraw/zinc/80/23/23/464802323.db2.gz UPEPWRSATQJJBC-SFHVURJKSA-N 2 2 345.487 2.084 10 0 EEAELP COC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286097314 464802330 /nfs/dbraw/zinc/80/23/30/464802330.db2.gz UPEPWRSATQJJBC-SFHVURJKSA-N 2 2 345.487 2.084 10 0 EEAELP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000183341610 464852522 /nfs/dbraw/zinc/85/25/22/464852522.db2.gz DBKUYIGZEUEKDG-CYBMUJFWSA-N 2 2 344.484 2.386 10 0 EEAELP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@H+]1CCc2sccc2C1 ZINC000183341610 464852527 /nfs/dbraw/zinc/85/25/27/464852527.db2.gz DBKUYIGZEUEKDG-CYBMUJFWSA-N 2 2 344.484 2.386 10 0 EEAELP COc1nccnc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295540043 464874591 /nfs/dbraw/zinc/87/45/91/464874591.db2.gz XJCBYQUJBQNVHX-RDJZCZTQSA-N 2 2 326.444 2.485 10 0 EEAELP COc1nccnc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295540043 464874597 /nfs/dbraw/zinc/87/45/97/464874597.db2.gz XJCBYQUJBQNVHX-RDJZCZTQSA-N 2 2 326.444 2.485 10 0 EEAELP Cc1nc(C[C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)no1 ZINC000177093541 464927857 /nfs/dbraw/zinc/92/78/57/464927857.db2.gz VMPFIUDJWYSRHV-OAHLLOKOSA-N 2 2 338.415 2.413 10 0 EEAELP Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)C2)no1 ZINC000177093541 464927862 /nfs/dbraw/zinc/92/78/62/464927862.db2.gz VMPFIUDJWYSRHV-OAHLLOKOSA-N 2 2 338.415 2.413 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000338279412 465978253 /nfs/dbraw/zinc/97/82/53/465978253.db2.gz UZMQHNICWXFAGF-UHFFFAOYSA-N 2 2 329.448 2.256 10 0 EEAELP Nc1nc(-n2cccn2)cc(NCc2cn3cc(Cl)ccc3[nH+]2)[nH+]1 ZINC000301636991 466000835 /nfs/dbraw/zinc/00/08/35/466000835.db2.gz LTRKFNYZNKEIHQ-UHFFFAOYSA-N 2 2 340.778 2.158 10 0 EEAELP Cc1cc(N2CCN(C(=O)C[NH+]3[C@@H](C)C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000548753210 468467351 /nfs/dbraw/zinc/46/73/51/468467351.db2.gz OWOQVQDSAVOPRV-HOTGVXAUSA-N 2 2 345.491 2.040 10 0 EEAELP Cc1cc(N2CCN(C(=O)C[NH+]3[C@H](C)C[C@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000548753211 468467869 /nfs/dbraw/zinc/46/78/69/468467869.db2.gz OWOQVQDSAVOPRV-HZPDHXFCSA-N 2 2 345.491 2.040 10 0 EEAELP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340465112 466108785 /nfs/dbraw/zinc/10/87/85/466108785.db2.gz QEBQKQQXLDCHAA-JSGCOSHPSA-N 2 2 342.281 2.073 10 0 EEAELP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340465112 466108790 /nfs/dbraw/zinc/10/87/90/466108790.db2.gz QEBQKQQXLDCHAA-JSGCOSHPSA-N 2 2 342.281 2.073 10 0 EEAELP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000349828810 466259569 /nfs/dbraw/zinc/25/95/69/466259569.db2.gz NPCQRFIHRVIYLC-OAHLLOKOSA-N 3 2 333.505 2.049 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]2CCC[C@H]21 ZINC000367622865 466454014 /nfs/dbraw/zinc/45/40/14/466454014.db2.gz HQSTZYMLDPYEKT-PCCBWWKXSA-N 3 2 343.515 2.481 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]2CCC[C@H]21 ZINC000367622865 466454018 /nfs/dbraw/zinc/45/40/18/466454018.db2.gz HQSTZYMLDPYEKT-PCCBWWKXSA-N 3 2 343.515 2.481 10 0 EEAELP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367994190 466563781 /nfs/dbraw/zinc/56/37/81/466563781.db2.gz JGSMGYYWCPFQAW-OXJNMPFZSA-N 2 2 340.471 2.239 10 0 EEAELP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367994190 466563792 /nfs/dbraw/zinc/56/37/92/466563792.db2.gz JGSMGYYWCPFQAW-OXJNMPFZSA-N 2 2 340.471 2.239 10 0 EEAELP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422866912 466684936 /nfs/dbraw/zinc/68/49/36/466684936.db2.gz RBWSQJDCZQGVTB-WOJBJXKFSA-N 3 2 331.504 2.383 10 0 EEAELP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422866912 466684938 /nfs/dbraw/zinc/68/49/38/466684938.db2.gz RBWSQJDCZQGVTB-WOJBJXKFSA-N 3 2 331.504 2.383 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657479369 471148913 /nfs/dbraw/zinc/14/89/13/471148913.db2.gz DAOHGOVYIMYERW-AWEZNQCLSA-N 2 2 332.366 2.364 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657479369 471148920 /nfs/dbraw/zinc/14/89/20/471148920.db2.gz DAOHGOVYIMYERW-AWEZNQCLSA-N 2 2 332.366 2.364 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375137339 466817342 /nfs/dbraw/zinc/81/73/42/466817342.db2.gz ZDCHMEYCQVZDOF-UHFFFAOYSA-N 2 2 330.436 2.071 10 0 EEAELP [NH3+]CCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000417580149 466887146 /nfs/dbraw/zinc/88/71/46/466887146.db2.gz COWRSMMELUGXAC-CQSZACIVSA-N 2 2 342.846 2.092 10 0 EEAELP [NH3+]CCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000417580149 466887147 /nfs/dbraw/zinc/88/71/47/466887147.db2.gz COWRSMMELUGXAC-CQSZACIVSA-N 2 2 342.846 2.092 10 0 EEAELP CC(C)[C@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H](C)[NH3+] ZINC000423913200 466906368 /nfs/dbraw/zinc/90/63/68/466906368.db2.gz JITLOPQEHMXNIJ-GUYCJALGSA-N 2 2 337.895 2.434 10 0 EEAELP CC(C)[C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H](C)[NH3+] ZINC000423913200 466906372 /nfs/dbraw/zinc/90/63/72/466906372.db2.gz JITLOPQEHMXNIJ-GUYCJALGSA-N 2 2 337.895 2.434 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417944125 466997981 /nfs/dbraw/zinc/99/79/81/466997981.db2.gz PPBDBFHWJYVZBU-FCIDVOKBSA-N 2 2 342.846 2.259 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417944125 466997985 /nfs/dbraw/zinc/99/79/85/466997985.db2.gz PPBDBFHWJYVZBU-FCIDVOKBSA-N 2 2 342.846 2.259 10 0 EEAELP CN(C(=O)CSC(C)(C)C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839055 467022416 /nfs/dbraw/zinc/02/24/16/467022416.db2.gz HAODMIOOVROZOO-HNNXBMFYSA-N 2 2 327.538 2.145 10 0 EEAELP CN(C(=O)CSC(C)(C)C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839055 467022417 /nfs/dbraw/zinc/02/24/17/467022417.db2.gz HAODMIOOVROZOO-HNNXBMFYSA-N 2 2 327.538 2.145 10 0 EEAELP Cc1cc(C[NH3+])cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000424435652 467050851 /nfs/dbraw/zinc/05/08/51/467050851.db2.gz LLIMXUYAZRTOCK-SFHVURJKSA-N 2 2 346.475 2.172 10 0 EEAELP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377755054 467134032 /nfs/dbraw/zinc/13/40/32/467134032.db2.gz AYFXSRLVSRMJAW-MNOVXSKESA-N 2 2 333.823 2.322 10 0 EEAELP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377755054 467134035 /nfs/dbraw/zinc/13/40/35/467134035.db2.gz AYFXSRLVSRMJAW-MNOVXSKESA-N 2 2 333.823 2.322 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)CCC[NH3+])CC2)s1 ZINC000418708924 467148927 /nfs/dbraw/zinc/14/89/27/467148927.db2.gz QYNORLAHYYROHU-CQSZACIVSA-N 2 2 338.521 2.265 10 0 EEAELP CC1=CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000378263202 467246121 /nfs/dbraw/zinc/24/61/21/467246121.db2.gz OSDTXLNJJAVDMU-UHFFFAOYSA-N 2 2 334.508 2.298 10 0 EEAELP [NH3+]C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000420370924 467382012 /nfs/dbraw/zinc/38/20/12/467382012.db2.gz PGZBVOWLFPGFRO-KGLIPLIRSA-N 2 2 335.414 2.285 10 0 EEAELP Cn1c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nnc1-c1ccccc1 ZINC000420397536 467394620 /nfs/dbraw/zinc/39/46/20/467394620.db2.gz MPQPIGBTKLCUMF-SJORKVTESA-N 2 2 325.460 2.446 10 0 EEAELP Cn1c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nnc1-c1ccccc1 ZINC000420397536 467394624 /nfs/dbraw/zinc/39/46/24/467394624.db2.gz MPQPIGBTKLCUMF-SJORKVTESA-N 2 2 325.460 2.446 10 0 EEAELP COCCN1CC[C@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397928915 467444353 /nfs/dbraw/zinc/44/43/53/467444353.db2.gz CQDZKNYDYSBNOL-PMACEKPBSA-N 2 2 331.504 2.351 10 0 EEAELP COCCN1CC[C@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397928915 467444357 /nfs/dbraw/zinc/44/43/57/467444357.db2.gz CQDZKNYDYSBNOL-PMACEKPBSA-N 2 2 331.504 2.351 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1NC(C)=O ZINC000449391362 467636161 /nfs/dbraw/zinc/63/61/61/467636161.db2.gz ICBFCULRFXLFRZ-PBHICJAKSA-N 2 2 349.475 2.151 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1NC(C)=O ZINC000449391362 467636162 /nfs/dbraw/zinc/63/61/62/467636162.db2.gz ICBFCULRFXLFRZ-PBHICJAKSA-N 2 2 349.475 2.151 10 0 EEAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449391029 467636201 /nfs/dbraw/zinc/63/62/01/467636201.db2.gz HKZGLLSAEOUZBD-IAGOWNOFSA-N 2 2 333.476 2.149 10 0 EEAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449391029 467636202 /nfs/dbraw/zinc/63/62/02/467636202.db2.gz HKZGLLSAEOUZBD-IAGOWNOFSA-N 2 2 333.476 2.149 10 0 EEAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449390741 467636220 /nfs/dbraw/zinc/63/62/20/467636220.db2.gz HFTYSEJEZBGIEH-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449390741 467636222 /nfs/dbraw/zinc/63/62/22/467636222.db2.gz HFTYSEJEZBGIEH-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP OC[C@@H]1CCC2(CCOCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000528644258 467720649 /nfs/dbraw/zinc/72/06/49/467720649.db2.gz JAURTHWGVXZKKH-KRWDZBQOSA-N 2 2 342.443 2.021 10 0 EEAELP OC[C@@H]1CCC2(CCOCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000528644258 467720651 /nfs/dbraw/zinc/72/06/51/467720651.db2.gz JAURTHWGVXZKKH-KRWDZBQOSA-N 2 2 342.443 2.021 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000528934793 467781470 /nfs/dbraw/zinc/78/14/70/467781470.db2.gz UKFKFKMTWUMOKW-NVXWUHKLSA-N 2 2 334.370 2.031 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000528934793 467781474 /nfs/dbraw/zinc/78/14/74/467781474.db2.gz UKFKFKMTWUMOKW-NVXWUHKLSA-N 2 2 334.370 2.031 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1cccc2ccccc21 ZINC000516762862 468045329 /nfs/dbraw/zinc/04/53/29/468045329.db2.gz SZRGSSFPNRPOEO-HOTGVXAUSA-N 2 2 337.423 2.450 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COc1cccc2ccccc21 ZINC000516762862 468045330 /nfs/dbraw/zinc/04/53/30/468045330.db2.gz SZRGSSFPNRPOEO-HOTGVXAUSA-N 2 2 337.423 2.450 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@H]3C3(O)CC3)c2cc1C ZINC000516912638 468054720 /nfs/dbraw/zinc/05/47/20/468054720.db2.gz YJWSAMYQHMALCA-LPHOPBHVSA-N 2 2 343.471 2.393 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@H]3C3(O)CC3)c2cc1C ZINC000516912638 468054723 /nfs/dbraw/zinc/05/47/23/468054723.db2.gz YJWSAMYQHMALCA-LPHOPBHVSA-N 2 2 343.471 2.393 10 0 EEAELP CC[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000494910379 468080893 /nfs/dbraw/zinc/08/08/93/468080893.db2.gz PIOZKSYBEMHRSM-ZWKOTPCHSA-N 2 2 329.488 2.470 10 0 EEAELP CC[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000494910379 468080896 /nfs/dbraw/zinc/08/08/96/468080896.db2.gz PIOZKSYBEMHRSM-ZWKOTPCHSA-N 2 2 329.488 2.470 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)cn2c1 ZINC000590046539 468207879 /nfs/dbraw/zinc/20/78/79/468207879.db2.gz HGRVPBGKQZMCTE-HOCLYGCPSA-N 2 2 344.484 2.038 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)cn2c1 ZINC000590046539 468207882 /nfs/dbraw/zinc/20/78/82/468207882.db2.gz HGRVPBGKQZMCTE-HOCLYGCPSA-N 2 2 344.484 2.038 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCc4ccccc4[C@@H]3C[NH3+])[nH+]c12 ZINC000570048412 468583676 /nfs/dbraw/zinc/58/36/76/468583676.db2.gz TURHMIZPQDUCJV-SFHVURJKSA-N 2 2 334.423 2.270 10 0 EEAELP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000594923295 468723064 /nfs/dbraw/zinc/72/30/64/468723064.db2.gz IKIHRPQDJDBCTD-BHYGNILZSA-N 2 2 331.460 2.356 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571044373 468732334 /nfs/dbraw/zinc/73/23/34/468732334.db2.gz QYEZIYNSVXJEAF-UDNPPVAFSA-N 2 2 339.842 2.339 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571044373 468732338 /nfs/dbraw/zinc/73/23/38/468732338.db2.gz QYEZIYNSVXJEAF-UDNPPVAFSA-N 2 2 339.842 2.339 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000561180922 468871212 /nfs/dbraw/zinc/87/12/12/468871212.db2.gz HZSBOJTXZDQYQX-UHFFFAOYSA-N 2 2 333.480 2.214 10 0 EEAELP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cccc21 ZINC000563202712 469197610 /nfs/dbraw/zinc/19/76/10/469197610.db2.gz ALMWWOQRGIBHEF-CXAGYDPISA-N 2 2 340.427 2.469 10 0 EEAELP Cc1cc(NC(=O)NCCOCCC[NH3+])c[nH+]c1N1CCCC[C@@H]1C ZINC000625876348 469421661 /nfs/dbraw/zinc/42/16/61/469421661.db2.gz IQRLOIQZYOSBPP-HNNXBMFYSA-N 2 2 349.479 2.256 10 0 EEAELP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C(F)(F)F ZINC000617007182 469568559 /nfs/dbraw/zinc/56/85/59/469568559.db2.gz NITRUFWSKNJELK-VXGBXAGGSA-N 2 2 346.397 2.445 10 0 EEAELP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C(F)(F)F ZINC000617007182 469568562 /nfs/dbraw/zinc/56/85/62/469568562.db2.gz NITRUFWSKNJELK-VXGBXAGGSA-N 2 2 346.397 2.445 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(F)cc1 ZINC000629584848 469584982 /nfs/dbraw/zinc/58/49/82/469584982.db2.gz VOPPOCPURAWLSN-OHHBCXFOSA-N 2 2 333.451 2.323 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(F)cc1 ZINC000629584848 469584986 /nfs/dbraw/zinc/58/49/86/469584986.db2.gz VOPPOCPURAWLSN-OHHBCXFOSA-N 2 2 333.451 2.323 10 0 EEAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000619771156 469679173 /nfs/dbraw/zinc/67/91/73/469679173.db2.gz ROEMXMVICFNUJE-ZIAGYGMSSA-N 2 2 335.448 2.105 10 0 EEAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000619771156 469679174 /nfs/dbraw/zinc/67/91/74/469679174.db2.gz ROEMXMVICFNUJE-ZIAGYGMSSA-N 2 2 335.448 2.105 10 0 EEAELP C[N@H+](CC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)C1CCC1 ZINC000629985169 469693500 /nfs/dbraw/zinc/69/35/00/469693500.db2.gz UXMGXXJQGUEOIA-UHFFFAOYSA-N 2 2 335.879 2.299 10 0 EEAELP C[N@@H+](CC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)C1CCC1 ZINC000629985169 469693505 /nfs/dbraw/zinc/69/35/05/469693505.db2.gz UXMGXXJQGUEOIA-UHFFFAOYSA-N 2 2 335.879 2.299 10 0 EEAELP C[NH+](CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CCC1 ZINC000629985169 469693506 /nfs/dbraw/zinc/69/35/06/469693506.db2.gz UXMGXXJQGUEOIA-UHFFFAOYSA-N 2 2 335.879 2.299 10 0 EEAELP C[NH+](CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CCC1 ZINC000629985169 469693511 /nfs/dbraw/zinc/69/35/11/469693511.db2.gz UXMGXXJQGUEOIA-UHFFFAOYSA-N 2 2 335.879 2.299 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623574150 469698397 /nfs/dbraw/zinc/69/83/97/469698397.db2.gz GHDDNLFXIXRFKF-IBGZPJMESA-N 2 2 349.482 2.469 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623574150 469698402 /nfs/dbraw/zinc/69/84/02/469698402.db2.gz GHDDNLFXIXRFKF-IBGZPJMESA-N 2 2 349.482 2.469 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C[NH2+]1 ZINC000626927546 469758298 /nfs/dbraw/zinc/75/82/98/469758298.db2.gz REVKMVDYJGFFLH-UHOFOFEASA-N 2 2 345.422 2.088 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(OC(F)(F)F)c1 ZINC000617765885 469797077 /nfs/dbraw/zinc/79/70/77/469797077.db2.gz UPXOIZLOQRWZSY-UHFFFAOYSA-N 2 2 347.381 2.199 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(OC(F)(F)F)c1 ZINC000617765885 469797080 /nfs/dbraw/zinc/79/70/80/469797080.db2.gz UPXOIZLOQRWZSY-UHFFFAOYSA-N 2 2 347.381 2.199 10 0 EEAELP COc1ccc(C2(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC2)cc1 ZINC000617767042 469797962 /nfs/dbraw/zinc/79/79/62/469797962.db2.gz DJTHMZCGAINTQC-UHFFFAOYSA-N 2 2 347.503 2.117 10 0 EEAELP COc1ccc(C2(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC2)cc1 ZINC000617767042 469797965 /nfs/dbraw/zinc/79/79/65/469797965.db2.gz DJTHMZCGAINTQC-UHFFFAOYSA-N 2 2 347.503 2.117 10 0 EEAELP Cc1ccc2c(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)coc2c1 ZINC000617768574 469798434 /nfs/dbraw/zinc/79/84/34/469798434.db2.gz KEKGENPYBNIDEN-UHFFFAOYSA-N 2 2 331.460 2.283 10 0 EEAELP Cc1ccc2c(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)coc2c1 ZINC000617768574 469798436 /nfs/dbraw/zinc/79/84/36/469798436.db2.gz KEKGENPYBNIDEN-UHFFFAOYSA-N 2 2 331.460 2.283 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc2ccccc2c1 ZINC000617768524 469799062 /nfs/dbraw/zinc/79/90/62/469799062.db2.gz HRPAQJCBSIHAIY-UHFFFAOYSA-N 2 2 327.472 2.382 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc2ccccc2c1 ZINC000617768524 469799067 /nfs/dbraw/zinc/79/90/67/469799067.db2.gz HRPAQJCBSIHAIY-UHFFFAOYSA-N 2 2 327.472 2.382 10 0 EEAELP CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000617929397 469843376 /nfs/dbraw/zinc/84/33/76/469843376.db2.gz IQVJBAGGPVQYCU-IBGZPJMESA-N 2 2 345.487 2.075 10 0 EEAELP CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000617929397 469843380 /nfs/dbraw/zinc/84/33/80/469843380.db2.gz IQVJBAGGPVQYCU-IBGZPJMESA-N 2 2 345.487 2.075 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630783361 469990800 /nfs/dbraw/zinc/99/08/00/469990800.db2.gz WTRIVAUNXHEOKY-HNNXBMFYSA-N 2 2 337.427 2.372 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C(F)F)C2CCCCC2)CC1 ZINC000621406487 470043826 /nfs/dbraw/zinc/04/38/26/470043826.db2.gz YYSNSCYTIWECFT-MRXNPFEDSA-N 2 2 331.451 2.391 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195701 470091021 /nfs/dbraw/zinc/09/10/21/470091021.db2.gz ZWLJSYKCFWLOBB-MAUKXSAKSA-N 2 2 326.444 2.343 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195701 470091024 /nfs/dbraw/zinc/09/10/24/470091024.db2.gz ZWLJSYKCFWLOBB-MAUKXSAKSA-N 2 2 326.444 2.343 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625250909 470104842 /nfs/dbraw/zinc/10/48/42/470104842.db2.gz AFFAGHUGJBJPLO-GFCCVEGCSA-N 2 2 332.370 2.390 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625250909 470104844 /nfs/dbraw/zinc/10/48/44/470104844.db2.gz AFFAGHUGJBJPLO-GFCCVEGCSA-N 2 2 332.370 2.390 10 0 EEAELP CC[C@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631332140 470123876 /nfs/dbraw/zinc/12/38/76/470123876.db2.gz YWNNPAHENCWFOA-QGZVFWFLSA-N 2 2 326.444 2.405 10 0 EEAELP COc1cncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000625395169 470134902 /nfs/dbraw/zinc/13/49/02/470134902.db2.gz FKGXOHBZTJPVQG-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP COc1cncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000625395169 470134904 /nfs/dbraw/zinc/13/49/04/470134904.db2.gz FKGXOHBZTJPVQG-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC000631888530 470189673 /nfs/dbraw/zinc/18/96/73/470189673.db2.gz XACNEGWLSDQLNA-QUCCMNQESA-N 2 2 343.515 2.344 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC000631888530 470189674 /nfs/dbraw/zinc/18/96/74/470189674.db2.gz XACNEGWLSDQLNA-QUCCMNQESA-N 2 2 343.515 2.344 10 0 EEAELP CC[C@H](C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000634642590 470273671 /nfs/dbraw/zinc/27/36/71/470273671.db2.gz NASKKTPOAOPASL-NJYVYQBISA-N 2 2 346.515 2.325 10 0 EEAELP CC[C@H](C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000634642590 470273672 /nfs/dbraw/zinc/27/36/72/470273672.db2.gz NASKKTPOAOPASL-NJYVYQBISA-N 2 2 346.515 2.325 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000648884519 470381032 /nfs/dbraw/zinc/38/10/32/470381032.db2.gz JTIZONXWGXUWKS-GDBMZVCRSA-N 2 2 328.416 2.472 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C(F)F)CCC3)CC2)CC1 ZINC000633458458 470474222 /nfs/dbraw/zinc/47/42/22/470474222.db2.gz HGICXBVSEPIXCF-UHFFFAOYSA-N 2 2 343.462 2.440 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C(F)F)CCC3)CC2)CC1 ZINC000633458458 470474228 /nfs/dbraw/zinc/47/42/28/470474228.db2.gz HGICXBVSEPIXCF-UHFFFAOYSA-N 2 2 343.462 2.440 10 0 EEAELP [NH3+]C/C=C\CNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000641866974 470504581 /nfs/dbraw/zinc/50/45/81/470504581.db2.gz KYHTZSOGNDBEQI-UPHRSURJSA-N 2 2 347.850 2.263 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](O)CC34CCC4)c2cc1C ZINC000643255937 470642438 /nfs/dbraw/zinc/64/24/38/470642438.db2.gz ZRRZQNNDGGFRRW-DLBZAZTESA-N 2 2 343.471 2.393 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](O)CC34CCC4)c2cc1C ZINC000643255937 470642444 /nfs/dbraw/zinc/64/24/44/470642444.db2.gz ZRRZQNNDGGFRRW-DLBZAZTESA-N 2 2 343.471 2.393 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)[C@H](C[NH3+])c3ccc(F)cc3)cn21 ZINC000647098488 470825000 /nfs/dbraw/zinc/82/50/00/470825000.db2.gz QPABVSOOCRKINN-QGZVFWFLSA-N 2 2 340.402 2.183 10 0 EEAELP O=S1(=O)CC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647169396 470847401 /nfs/dbraw/zinc/84/74/01/470847401.db2.gz LPQRQFANZUYQFX-ROUUACIJSA-N 2 2 348.512 2.208 10 0 EEAELP O=S1(=O)CC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647169396 470847404 /nfs/dbraw/zinc/84/74/04/470847404.db2.gz LPQRQFANZUYQFX-ROUUACIJSA-N 2 2 348.512 2.208 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647246789 470866195 /nfs/dbraw/zinc/86/61/95/470866195.db2.gz QLFFVYTVRRINTK-IMFGXOCKSA-N 2 2 332.488 2.274 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647246789 470866197 /nfs/dbraw/zinc/86/61/97/470866197.db2.gz QLFFVYTVRRINTK-IMFGXOCKSA-N 2 2 332.488 2.274 10 0 EEAELP CC(C)[N@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650818853 470974807 /nfs/dbraw/zinc/97/48/07/470974807.db2.gz ZPYVFPKPTWOJLN-QGZVFWFLSA-N 2 2 343.475 2.343 10 0 EEAELP CC(C)[N@@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650818853 470974812 /nfs/dbraw/zinc/97/48/12/470974812.db2.gz ZPYVFPKPTWOJLN-QGZVFWFLSA-N 2 2 343.475 2.343 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899782 471011042 /nfs/dbraw/zinc/01/10/42/471011042.db2.gz WGTOKCJUOXVYBB-CRAIPNDOSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899782 471011043 /nfs/dbraw/zinc/01/10/43/471011043.db2.gz WGTOKCJUOXVYBB-CRAIPNDOSA-N 2 2 344.459 2.048 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000650999182 471021954 /nfs/dbraw/zinc/02/19/54/471021954.db2.gz VUPGFSICJRATRJ-QGZVFWFLSA-N 2 2 326.444 2.181 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648161993 471105274 /nfs/dbraw/zinc/10/52/74/471105274.db2.gz CAAUXEABOOXYIG-OAGGEKHMSA-N 2 2 339.842 2.483 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648161993 471105278 /nfs/dbraw/zinc/10/52/78/471105278.db2.gz CAAUXEABOOXYIG-OAGGEKHMSA-N 2 2 339.842 2.483 10 0 EEAELP Cc1n[nH]c(C)c1[C@H]1COCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341463 471274174 /nfs/dbraw/zinc/27/41/74/471274174.db2.gz SDMAQWAXEQTTBP-GOSISDBHSA-N 2 2 326.444 2.246 10 0 EEAELP Cc1n[nH]c(C)c1[C@H]1COCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341463 471274177 /nfs/dbraw/zinc/27/41/77/471274177.db2.gz SDMAQWAXEQTTBP-GOSISDBHSA-N 2 2 326.444 2.246 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355449 471278470 /nfs/dbraw/zinc/27/84/70/471278470.db2.gz YDUZOHAVWUANHZ-KBPBESRZSA-N 2 2 337.430 2.483 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355449 471278471 /nfs/dbraw/zinc/27/84/71/471278471.db2.gz YDUZOHAVWUANHZ-KBPBESRZSA-N 2 2 337.430 2.483 10 0 EEAELP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658283042 471284837 /nfs/dbraw/zinc/28/48/37/471284837.db2.gz ADDXENRDUMATDN-OCCSQVGLSA-N 2 2 342.281 2.073 10 0 EEAELP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658283042 471284840 /nfs/dbraw/zinc/28/48/40/471284840.db2.gz ADDXENRDUMATDN-OCCSQVGLSA-N 2 2 342.281 2.073 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000658344146 471290979 /nfs/dbraw/zinc/29/09/79/471290979.db2.gz UWBYUBIUYLHAPW-SFHVURJKSA-N 2 2 337.458 2.480 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000658344146 471290981 /nfs/dbraw/zinc/29/09/81/471290981.db2.gz UWBYUBIUYLHAPW-SFHVURJKSA-N 2 2 337.458 2.480 10 0 EEAELP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000663396065 471356109 /nfs/dbraw/zinc/35/61/09/471356109.db2.gz KNGSGAAJOYFHBX-CYBMUJFWSA-N 2 2 342.434 2.209 10 0 EEAELP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000663396065 471356111 /nfs/dbraw/zinc/35/61/11/471356111.db2.gz KNGSGAAJOYFHBX-CYBMUJFWSA-N 2 2 342.434 2.209 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccccc1Cl ZINC000663406529 471362314 /nfs/dbraw/zinc/36/23/14/471362314.db2.gz ORQIHJKKYJCENU-UHFFFAOYSA-N 2 2 326.872 2.023 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccccc1Cl ZINC000663406529 471362319 /nfs/dbraw/zinc/36/23/19/471362319.db2.gz ORQIHJKKYJCENU-UHFFFAOYSA-N 2 2 326.872 2.023 10 0 EEAELP c1c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)nn2c1CCCC2 ZINC000655704914 471448975 /nfs/dbraw/zinc/44/89/75/471448975.db2.gz QAAIXSZBXIDLFN-UHFFFAOYSA-N 2 2 340.471 2.341 10 0 EEAELP C1C[C@H]([NH+]2CCC([NH2+][C@H]3CCOC4(CCSCC4)C3)CC2)CO1 ZINC000655735736 471461713 /nfs/dbraw/zinc/46/17/13/471461713.db2.gz XWJGKGQWIDUUAU-IRXDYDNUSA-N 2 2 340.533 2.274 10 0 EEAELP CC(C)n1ncc2c1C[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000655760191 471473588 /nfs/dbraw/zinc/47/35/88/471473588.db2.gz LQYOTSZULXJQBK-QZTJIDSGSA-N 2 2 332.492 2.164 10 0 EEAELP O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653115370 471496113 /nfs/dbraw/zinc/49/61/13/471496113.db2.gz MKODECBQJHVASX-SGTLLEGYSA-N 2 2 326.400 2.005 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)c1ccco1 ZINC000663848854 471546668 /nfs/dbraw/zinc/54/66/68/471546668.db2.gz NEFOBAZSRYBNNZ-KGLIPLIRSA-N 2 2 333.436 2.456 10 0 EEAELP CCc1[nH+]c2cc(CNC(=O)NC/C=C\C[NH3+])ccc2n1C1CC1 ZINC000669582180 471566153 /nfs/dbraw/zinc/56/61/53/471566153.db2.gz RAXNYBUVJNOVTE-ARJAWSKDSA-N 2 2 327.432 2.248 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)n2)C1 ZINC000656196785 471630972 /nfs/dbraw/zinc/63/09/72/471630972.db2.gz GRFMPBUPGJZOSO-IYBDPMFKSA-N 2 2 345.491 2.378 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)n2)C1 ZINC000656196785 471630976 /nfs/dbraw/zinc/63/09/76/471630976.db2.gz GRFMPBUPGJZOSO-IYBDPMFKSA-N 2 2 345.491 2.378 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000670076351 471670443 /nfs/dbraw/zinc/67/04/43/471670443.db2.gz BOSTYBJBPJDACH-UHFFFAOYSA-N 2 2 331.464 2.098 10 0 EEAELP CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CC[N@H+](CC)C1 ZINC000664290421 471707803 /nfs/dbraw/zinc/70/78/03/471707803.db2.gz JQUGXTXOAAYBBV-KRWDZBQOSA-N 2 2 343.475 2.311 10 0 EEAELP CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@H]1CC[N@@H+](CC)C1 ZINC000664290421 471707807 /nfs/dbraw/zinc/70/78/07/471707807.db2.gz JQUGXTXOAAYBBV-KRWDZBQOSA-N 2 2 343.475 2.311 10 0 EEAELP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000659640399 471708292 /nfs/dbraw/zinc/70/82/92/471708292.db2.gz UOHLPPMFXFHBBY-ZIAGYGMSSA-N 2 2 338.883 2.336 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000653777089 471736773 /nfs/dbraw/zinc/73/67/73/471736773.db2.gz VAGBDZKXWYZAJY-AWEZNQCLSA-N 2 2 326.868 2.248 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000653777089 471736775 /nfs/dbraw/zinc/73/67/75/471736775.db2.gz VAGBDZKXWYZAJY-AWEZNQCLSA-N 2 2 326.868 2.248 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000667352962 471751712 /nfs/dbraw/zinc/75/17/12/471751712.db2.gz HHHSYPSXYXIBCR-QAPCUYQASA-N 2 2 326.444 2.242 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)cc1 ZINC000667352962 471751716 /nfs/dbraw/zinc/75/17/16/471751716.db2.gz HHHSYPSXYXIBCR-QAPCUYQASA-N 2 2 326.444 2.242 10 0 EEAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@]1(O)CCCOC1 ZINC000659972623 471810582 /nfs/dbraw/zinc/81/05/82/471810582.db2.gz CHLVCAGXTYWYCT-LJQANCHMSA-N 2 2 333.476 2.161 10 0 EEAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@]1(O)CCCOC1 ZINC000659972623 471810586 /nfs/dbraw/zinc/81/05/86/471810586.db2.gz CHLVCAGXTYWYCT-LJQANCHMSA-N 2 2 333.476 2.161 10 0 EEAELP Cc1cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000664658639 471826294 /nfs/dbraw/zinc/82/62/94/471826294.db2.gz SGRLGLNJGHNYBG-UHFFFAOYSA-N 2 2 340.899 2.331 10 0 EEAELP Cc1cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000664658639 471826299 /nfs/dbraw/zinc/82/62/99/471826299.db2.gz SGRLGLNJGHNYBG-UHFFFAOYSA-N 2 2 340.899 2.331 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667569687 471826857 /nfs/dbraw/zinc/82/68/57/471826857.db2.gz QJNJKPXZPRAXSN-FZKCQIBNSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667569687 471826861 /nfs/dbraw/zinc/82/68/61/471826861.db2.gz QJNJKPXZPRAXSN-FZKCQIBNSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667569687 471826866 /nfs/dbraw/zinc/82/68/66/471826866.db2.gz QJNJKPXZPRAXSN-FZKCQIBNSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667569687 471826870 /nfs/dbraw/zinc/82/68/70/471826870.db2.gz QJNJKPXZPRAXSN-FZKCQIBNSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@]12COC[C@@H]1C[N@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000661705876 471857115 /nfs/dbraw/zinc/85/71/15/471857115.db2.gz XRVXBKPOJDYINH-UFYCRDLUSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@@H]1C[N@@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000661705876 471857117 /nfs/dbraw/zinc/85/71/17/471857117.db2.gz XRVXBKPOJDYINH-UFYCRDLUSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@@H]1C[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000661705876 471857120 /nfs/dbraw/zinc/85/71/20/471857120.db2.gz XRVXBKPOJDYINH-UFYCRDLUSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@@H]1C[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000661705876 471857122 /nfs/dbraw/zinc/85/71/22/471857122.db2.gz XRVXBKPOJDYINH-UFYCRDLUSA-N 2 2 330.472 2.246 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(F)cc3c2OCOC3)CCO1 ZINC000662319971 472069258 /nfs/dbraw/zinc/06/92/58/472069258.db2.gz RJRYGVRLTWSDJT-KRWDZBQOSA-N 2 2 338.423 2.235 10 0 EEAELP 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486517941 /nfs/dbraw/zinc/51/79/41/486517941.db2.gz UHAULFPRPKNFFO-GOSISDBHSA-N 2 2 329.444 2.015 10 0 EEAELP C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000682710025 486541246 /nfs/dbraw/zinc/54/12/46/486541246.db2.gz ZZPQFXHJVSSXFQ-QZWWFDLISA-N 2 2 336.524 2.231 10 0 EEAELP C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000682710025 486541248 /nfs/dbraw/zinc/54/12/48/486541248.db2.gz ZZPQFXHJVSSXFQ-QZWWFDLISA-N 2 2 336.524 2.231 10 0 EEAELP CC(C)[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000132168348 529106255 /nfs/dbraw/zinc/10/62/55/529106255.db2.gz GFCXLVPRIXIQCB-ZQIUZPCESA-N 2 2 339.505 2.437 10 0 EEAELP CC(C)[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000132168348 529106262 /nfs/dbraw/zinc/10/62/62/529106262.db2.gz GFCXLVPRIXIQCB-ZQIUZPCESA-N 2 2 339.505 2.437 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H](C)C(C)C)CC2)CC1 ZINC000422238767 535462716 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338.455 2.231 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCc2ccccc21 ZINC001481063757 1179665384 /nfs/dbraw/zinc/66/53/84/1179665384.db2.gz GMGZOYBAPWZXTD-LPHOPBHVSA-N 2 2 338.455 2.231 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267615713 1179850024 /nfs/dbraw/zinc/85/00/24/1179850024.db2.gz RXKBRLICCKKZGA-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCCCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267615713 1179850036 /nfs/dbraw/zinc/85/00/36/1179850036.db2.gz RXKBRLICCKKZGA-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CCc1ccc(Cl)cc1 ZINC001481308063 1180989021 /nfs/dbraw/zinc/98/90/21/1180989021.db2.gz KCAMEGPVXIODAI-UHFFFAOYSA-N 2 2 334.851 2.205 10 0 EEAELP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001272742089 1193097555 /nfs/dbraw/zinc/09/75/55/1193097555.db2.gz KQTZCECSQQQMJT-JYJNAYRXSA-N 2 2 336.455 2.070 10 0 EEAELP CC[C@@H](C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)OC ZINC001481516057 1181621178 /nfs/dbraw/zinc/62/11/78/1181621178.db2.gz LERMAODWHFPWGU-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP CC[C@@H](C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)OC ZINC001481516057 1181621185 /nfs/dbraw/zinc/62/11/85/1181621185.db2.gz LERMAODWHFPWGU-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP CC[C@@H](C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)OC ZINC001481516057 1181621189 /nfs/dbraw/zinc/62/11/89/1181621189.db2.gz LERMAODWHFPWGU-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP CC[C@@H](C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)OC ZINC001481516057 1181621198 /nfs/dbraw/zinc/62/11/98/1181621198.db2.gz LERMAODWHFPWGU-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP CCOC1CC(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001268167037 1181908176 /nfs/dbraw/zinc/90/81/76/1181908176.db2.gz PZMYBQDFHYUDFS-CGZBRXJRSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268386058 1182424801 /nfs/dbraw/zinc/42/48/01/1182424801.db2.gz NEELWKHZSLYHSU-LSDHHAIUSA-N 2 2 344.459 2.247 10 0 EEAELP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268406752 1182526342 /nfs/dbraw/zinc/52/63/42/1182526342.db2.gz YWLOEDPMTZBSOI-NUEKZKHPSA-N 2 2 332.492 2.444 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001481770869 1182665002 /nfs/dbraw/zinc/66/50/02/1182665002.db2.gz NQNMTFCANNBPTG-OAHLLOKOSA-N 2 2 347.488 2.079 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001481770869 1182665006 /nfs/dbraw/zinc/66/50/06/1182665006.db2.gz NQNMTFCANNBPTG-OAHLLOKOSA-N 2 2 347.488 2.079 10 0 EEAELP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC001481775241 1182670981 /nfs/dbraw/zinc/67/09/81/1182670981.db2.gz LYBZUNLSIPZWLS-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC001481775241 1182670985 /nfs/dbraw/zinc/67/09/85/1182670985.db2.gz LYBZUNLSIPZWLS-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001481885895 1182887750 /nfs/dbraw/zinc/88/77/50/1182887750.db2.gz XHMQLKQZIWNCKI-GXTWGEPZSA-N 2 2 336.386 2.407 10 0 EEAELP Cc1cccc(C[NH2+]CC2(NC(=O)Cn3cc[nH+]c3)CCCC2)c1 ZINC001481913162 1182938034 /nfs/dbraw/zinc/93/80/34/1182938034.db2.gz PSVLPMGMEJQGNR-UHFFFAOYSA-N 2 2 326.444 2.410 10 0 EEAELP C[C@@H]1CC[C@@H](C[NH2+]CCC2CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC001482004090 1183120547 /nfs/dbraw/zinc/12/05/47/1183120547.db2.gz RLMOJWZACLJTJC-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]CC2CCOCC2)c(C)[nH+]1 ZINC001268571300 1183295762 /nfs/dbraw/zinc/29/57/62/1183295762.db2.gz WTMDUTNYOXNARC-PLNGDYQASA-N 2 2 331.460 2.309 10 0 EEAELP CO[C@H](C[NH2+]C[C@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001482121590 1183358796 /nfs/dbraw/zinc/35/87/96/1183358796.db2.gz OEDKGDCWYFKQDO-WMLDXEAASA-N 2 2 344.459 2.105 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1)c1ccc2c(c1)CCC2 ZINC001268606461 1183512355 /nfs/dbraw/zinc/51/23/55/1183512355.db2.gz FHNGYMLSEOLABQ-MPNWYJEXSA-N 2 2 338.455 2.464 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1ccccc1C1CC1 ZINC001268614040 1183529093 /nfs/dbraw/zinc/52/90/93/1183529093.db2.gz SHUNXKUKYDHFLH-PLNGDYQASA-N 2 2 338.455 2.302 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269556645 1184386560 /nfs/dbraw/zinc/38/65/60/1184386560.db2.gz MIOBODXFTZFDBJ-IRXDYDNUSA-N 2 2 348.491 2.082 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269556645 1184386566 /nfs/dbraw/zinc/38/65/66/1184386566.db2.gz MIOBODXFTZFDBJ-IRXDYDNUSA-N 2 2 348.491 2.082 10 0 EEAELP O=C(NC1(C[NH2+]CCF)CCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001269567522 1184398903 /nfs/dbraw/zinc/39/89/03/1184398903.db2.gz SAULGJJWJICDSQ-UHFFFAOYSA-N 2 2 330.407 2.474 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001269771155 1184610631 /nfs/dbraw/zinc/61/06/31/1184610631.db2.gz YIDVIMHRZXFPTP-ALFJJAPYSA-N 2 2 345.274 2.490 10 0 EEAELP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001269871125 1184683179 /nfs/dbraw/zinc/68/31/79/1184683179.db2.gz OQCLODNBUXDJTD-NUEKZKHPSA-N 2 2 336.455 2.480 10 0 EEAELP C[C@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001269871125 1184683181 /nfs/dbraw/zinc/68/31/81/1184683181.db2.gz OQCLODNBUXDJTD-NUEKZKHPSA-N 2 2 336.455 2.480 10 0 EEAELP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482301529 1185214086 /nfs/dbraw/zinc/21/40/86/1185214086.db2.gz NWWFMWYSCIXGCE-HOCLYGCPSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@]1(C[NH2+]CCCc2ccccc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001270805156 1185404213 /nfs/dbraw/zinc/40/42/13/1185404213.db2.gz HPOXWYBFDUQVRL-FQEVSTJZSA-N 2 2 340.471 2.413 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001271136339 1185953845 /nfs/dbraw/zinc/95/38/45/1185953845.db2.gz FDJWRRWQXSJLMF-LSDHHAIUSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001271136339 1185953850 /nfs/dbraw/zinc/95/38/50/1185953850.db2.gz FDJWRRWQXSJLMF-LSDHHAIUSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001271682893 1186373609 /nfs/dbraw/zinc/37/36/09/1186373609.db2.gz GYZDMZMISWNZLC-WMZOPIPTSA-N 2 2 340.471 2.269 10 0 EEAELP CCc1cccc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)c1 ZINC001482571012 1186908454 /nfs/dbraw/zinc/90/84/54/1186908454.db2.gz IJSADDUVBKQPSY-GOSISDBHSA-N 2 2 328.460 2.376 10 0 EEAELP CN(CC[N@H+](C)CC1CCCC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001482598918 1187327684 /nfs/dbraw/zinc/32/76/84/1187327684.db2.gz WWTPLAKWKAOGHF-UHFFFAOYSA-N 2 2 332.492 2.342 10 0 EEAELP CN(CC[N@@H+](C)CC1CCCC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001482598918 1187327687 /nfs/dbraw/zinc/32/76/87/1187327687.db2.gz WWTPLAKWKAOGHF-UHFFFAOYSA-N 2 2 332.492 2.342 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+][C@@H]1CCCc2ccccc21 ZINC001483081840 1188443513 /nfs/dbraw/zinc/44/35/13/1188443513.db2.gz GASVXZLZEUCHGN-PHWHVTFISA-N 2 2 338.455 2.302 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)c2sccc2C[NH+](C)C)co1 ZINC001483133550 1188655786 /nfs/dbraw/zinc/65/57/86/1188655786.db2.gz HREGEGMIJUEWCG-LLVKDONJSA-N 2 2 336.461 2.014 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001409945027 1193592715 /nfs/dbraw/zinc/59/27/15/1193592715.db2.gz RFXPGJVWNYNULN-AWEZNQCLSA-N 2 2 330.476 2.359 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1COCC[N@@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001272901223 1193597724 /nfs/dbraw/zinc/59/77/24/1193597724.db2.gz FEVSPSOLEKTUQB-ZWKOTPCHSA-N 2 2 337.508 2.034 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1COCC[N@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001272901223 1193597725 /nfs/dbraw/zinc/59/77/25/1193597725.db2.gz FEVSPSOLEKTUQB-ZWKOTPCHSA-N 2 2 337.508 2.034 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2c(C)noc2C)c[nH+]1 ZINC001409341947 1189546901 /nfs/dbraw/zinc/54/69/01/1189546901.db2.gz CAWWPMSEHSFQQI-OLZOCXBDSA-N 2 2 347.463 2.214 10 0 EEAELP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001409362776 1189581677 /nfs/dbraw/zinc/58/16/77/1189581677.db2.gz HOVYRCZZXUITHW-NEPJUHHUSA-N 2 2 336.386 2.476 10 0 EEAELP Cc1ccc(CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001409399793 1189625177 /nfs/dbraw/zinc/62/51/77/1189625177.db2.gz WOPOJWLRAOTUCW-IRXDYDNUSA-N 2 2 328.460 2.307 10 0 EEAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001409474571 1189791661 /nfs/dbraw/zinc/79/16/61/1189791661.db2.gz QNZUVTJLURLQGW-CHWSQXEVSA-N 2 2 328.407 2.191 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCCC1CCC1 ZINC001409592306 1190088230 /nfs/dbraw/zinc/08/82/30/1190088230.db2.gz WVXNJSYJQJCWPL-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCCC1CCC1 ZINC001409592306 1190088232 /nfs/dbraw/zinc/08/82/32/1190088232.db2.gz WVXNJSYJQJCWPL-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001483613151 1190590197 /nfs/dbraw/zinc/59/01/97/1190590197.db2.gz BFDRJSCIOCXVFK-ZBFHGGJFSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C2)co1 ZINC001484166135 1191253769 /nfs/dbraw/zinc/25/37/69/1191253769.db2.gz CVORCZUUWPTADX-GOSISDBHSA-N 2 2 336.480 2.043 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C2)co1 ZINC001484166135 1191253770 /nfs/dbraw/zinc/25/37/70/1191253770.db2.gz CVORCZUUWPTADX-GOSISDBHSA-N 2 2 336.480 2.043 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@@H](CC[NH2+]Cc2cncs2)C1)n1cc[nH+]c1 ZINC001484541362 1191406481 /nfs/dbraw/zinc/40/64/81/1191406481.db2.gz LDTFZWCSFZEGIB-LSDHHAIUSA-N 2 2 347.488 2.319 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001484890887 1191563519 /nfs/dbraw/zinc/56/35/19/1191563519.db2.gz ASWXGQQCVPRRQB-DYVFJYSZSA-N 2 2 330.432 2.038 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001485170262 1191672083 /nfs/dbraw/zinc/67/20/83/1191672083.db2.gz SBLHDKBPYBRGDT-CHWSQXEVSA-N 2 2 341.415 2.236 10 0 EEAELP C[C@@H]([NH2+]CC1CCOCC1)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485162891 1191674892 /nfs/dbraw/zinc/67/48/92/1191674892.db2.gz MQXZCAKWOUJJTA-OLZOCXBDSA-N 2 2 330.432 2.086 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001485218562 1191690040 /nfs/dbraw/zinc/69/00/40/1191690040.db2.gz VMCPZDVNWYOWLW-QWRGUYRKSA-N 2 2 334.386 2.476 10 0 EEAELP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001485341842 1191746668 /nfs/dbraw/zinc/74/66/68/1191746668.db2.gz LQQZDIAKSYEUNN-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001485341842 1191746670 /nfs/dbraw/zinc/74/66/70/1191746670.db2.gz LQQZDIAKSYEUNN-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001485341842 1191746671 /nfs/dbraw/zinc/74/66/71/1191746671.db2.gz LQQZDIAKSYEUNN-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001485341842 1191746673 /nfs/dbraw/zinc/74/66/73/1191746673.db2.gz LQQZDIAKSYEUNN-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP Cc1csc(C[NH2+]CC2(NC(=O)Cn3cc[nH+]c3)CCCCC2)n1 ZINC001485459450 1191797754 /nfs/dbraw/zinc/79/77/54/1191797754.db2.gz RHTJCKUCNVUZIM-UHFFFAOYSA-N 2 2 347.488 2.257 10 0 EEAELP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]CCC(F)(F)F ZINC001486238749 1193765034 /nfs/dbraw/zinc/76/50/34/1193765034.db2.gz RUIKVWXSHBYURZ-GFCCVEGCSA-N 2 2 332.370 2.052 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1CC([NH2+]CC2CC(C)(C)C2)C1 ZINC001486482138 1193996498 /nfs/dbraw/zinc/99/64/98/1193996498.db2.gz QWBDUAYAHMCNBD-UHFFFAOYSA-N 2 2 332.492 2.368 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001410243017 1197628282 /nfs/dbraw/zinc/62/82/82/1197628282.db2.gz SXZNIADYHALVRG-SAABIXHNSA-N 2 2 344.434 2.496 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001410243017 1197628283 /nfs/dbraw/zinc/62/82/83/1197628283.db2.gz SXZNIADYHALVRG-SAABIXHNSA-N 2 2 344.434 2.496 10 0 EEAELP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000865573533 1198282947 /nfs/dbraw/zinc/28/29/47/1198282947.db2.gz JYMDEXNFFYHWCZ-YNAXMUEKSA-N 2 2 332.448 2.256 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)c1 ZINC000870881657 1200929190 /nfs/dbraw/zinc/92/91/90/1200929190.db2.gz FJALQTNFRUYFHI-PYQAKABTSA-N 2 2 343.471 2.028 10 0 EEAELP CC(C)[C@H](C[NH2+][C@H]1c2ccccc2OC[C@@H]1F)N1CC[NH+](C)CC1 ZINC000866227302 1201470509 /nfs/dbraw/zinc/47/05/09/1201470509.db2.gz SGRXBXWOBVDWAR-LNLFQRSKSA-N 2 2 335.467 2.320 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)C[N@@H+]1C1CC1 ZINC000868382871 1201803455 /nfs/dbraw/zinc/80/34/55/1201803455.db2.gz NFTWKUBNCSUCID-QIIPPGSGSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)C[N@H+]1C1CC1 ZINC000868382871 1201803456 /nfs/dbraw/zinc/80/34/56/1201803456.db2.gz NFTWKUBNCSUCID-QIIPPGSGSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C[NH+]1C1CC1 ZINC000868382871 1201803458 /nfs/dbraw/zinc/80/34/58/1201803458.db2.gz NFTWKUBNCSUCID-QIIPPGSGSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C[NH+]1C1CC1 ZINC000868382871 1201803462 /nfs/dbraw/zinc/80/34/62/1201803462.db2.gz NFTWKUBNCSUCID-QIIPPGSGSA-N 2 2 328.460 2.098 10 0 EEAELP C[NH+](C)C1(C)CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000868436679 1201812321 /nfs/dbraw/zinc/81/23/21/1201812321.db2.gz VXOXCVAHDPEDRJ-WUJZJPHMSA-N 2 2 345.491 2.222 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]CCOC1CCC1 ZINC001691732135 1204238735 /nfs/dbraw/zinc/23/87/35/1204238735.db2.gz JHQKBCFJYHMZAA-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1F ZINC001274536915 1205071707 /nfs/dbraw/zinc/07/17/07/1205071707.db2.gz YHYMJKJNWKWGAS-GFUIURDCSA-N 2 2 330.407 2.423 10 0 EEAELP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620656 1206136427 /nfs/dbraw/zinc/13/64/27/1206136427.db2.gz WSDDKPJBBOZLRB-IEWDOMPSSA-N 3 2 335.536 2.121 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(-c3ccccn3)cc2)CC1 ZINC000926129940 1206196359 /nfs/dbraw/zinc/19/63/59/1206196359.db2.gz LWZNUIZNKDBSCT-UHFFFAOYSA-N 2 2 339.443 2.293 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928101931 1206344032 /nfs/dbraw/zinc/34/40/32/1206344032.db2.gz FSQWOBHTKOBPSR-KGLIPLIRSA-N 2 2 339.530 2.119 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928101931 1206344033 /nfs/dbraw/zinc/34/40/33/1206344033.db2.gz FSQWOBHTKOBPSR-KGLIPLIRSA-N 2 2 339.530 2.119 10 0 EEAELP Cc1cn2cc(NC(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@H]34)ccc2[nH+]1 ZINC000930136719 1206536845 /nfs/dbraw/zinc/53/68/45/1206536845.db2.gz GKXSRMPEFDUIQQ-HUUCEWRRSA-N 2 2 345.472 2.344 10 0 EEAELP Cc1cn2cc(NC(=O)N[C@@H]3CCC[N@H+]4CCSC[C@H]34)ccc2[nH+]1 ZINC000930136719 1206536846 /nfs/dbraw/zinc/53/68/46/1206536846.db2.gz GKXSRMPEFDUIQQ-HUUCEWRRSA-N 2 2 345.472 2.344 10 0 EEAELP Cc1cn2cc(NC(=O)N[C@H]3CCC[N@@H+]4CCSC[C@H]34)ccc2[nH+]1 ZINC000930136720 1206536984 /nfs/dbraw/zinc/53/69/84/1206536984.db2.gz GKXSRMPEFDUIQQ-LSDHHAIUSA-N 2 2 345.472 2.344 10 0 EEAELP Cc1cn2cc(NC(=O)N[C@H]3CCC[N@H+]4CCSC[C@H]34)ccc2[nH+]1 ZINC000930136720 1206536986 /nfs/dbraw/zinc/53/69/86/1206536986.db2.gz GKXSRMPEFDUIQQ-LSDHHAIUSA-N 2 2 345.472 2.344 10 0 EEAELP COc1cccc(NC(=O)CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931515572 1207403064 /nfs/dbraw/zinc/40/30/64/1207403064.db2.gz ZADDRZRVIUCPAY-UHFFFAOYSA-N 2 2 326.400 2.059 10 0 EEAELP COc1cccc(NC(=O)CC[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931515572 1207403065 /nfs/dbraw/zinc/40/30/65/1207403065.db2.gz ZADDRZRVIUCPAY-UHFFFAOYSA-N 2 2 326.400 2.059 10 0 EEAELP CN(C)c1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931518566 1207403712 /nfs/dbraw/zinc/40/37/12/1207403712.db2.gz MHCQKOPPSNIAFS-UHFFFAOYSA-N 2 2 339.443 2.117 10 0 EEAELP CN(C)c1ccc(NC(=O)CC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931518566 1207403715 /nfs/dbraw/zinc/40/37/15/1207403715.db2.gz MHCQKOPPSNIAFS-UHFFFAOYSA-N 2 2 339.443 2.117 10 0 EEAELP CCN1CC[C@H]([NH+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC001413047941 1217347566 /nfs/dbraw/zinc/34/75/66/1217347566.db2.gz SEOYMCLOAOQKNQ-CEWLAPEOSA-N 2 2 341.499 2.451 10 0 EEAELP C[NH+](C)CC(C)(C)CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900008718 1233970482 /nfs/dbraw/zinc/97/04/82/1233970482.db2.gz AWLFRQGHDDSASR-UHFFFAOYSA-N 2 2 343.475 2.313 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000901274418 1235465479 /nfs/dbraw/zinc/46/54/79/1235465479.db2.gz URHFLPNPDGSGNF-JYJNAYRXSA-N 2 2 325.403 2.166 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000901274418 1235465481 /nfs/dbraw/zinc/46/54/81/1235465481.db2.gz URHFLPNPDGSGNF-JYJNAYRXSA-N 2 2 325.403 2.166 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](O)c3ccccc32)CC1 ZINC000827173496 1250462198 /nfs/dbraw/zinc/46/21/98/1250462198.db2.gz XLLIHOQDZWOBGH-QZTJIDSGSA-N 2 2 332.444 2.172 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2C[C@H](O)c3ccccc32)CC1 ZINC000827173495 1250462809 /nfs/dbraw/zinc/46/28/09/1250462809.db2.gz XLLIHOQDZWOBGH-MSOLQXFVSA-N 2 2 332.444 2.172 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001490921841 1258488607 /nfs/dbraw/zinc/48/86/07/1258488607.db2.gz FJLVGVAFUBQBSG-PTQOGAHQSA-N 2 2 349.519 2.223 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001490921841 1258488612 /nfs/dbraw/zinc/48/86/12/1258488612.db2.gz FJLVGVAFUBQBSG-PTQOGAHQSA-N 2 2 349.519 2.223 10 0 EEAELP CC(C)OCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491226004 1258810649 /nfs/dbraw/zinc/81/06/49/1258810649.db2.gz KNSOEUCLQXSJIM-IAGOWNOFSA-N 2 2 336.480 2.230 10 0 EEAELP CC(C)OCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491226004 1258810656 /nfs/dbraw/zinc/81/06/56/1258810656.db2.gz KNSOEUCLQXSJIM-IAGOWNOFSA-N 2 2 336.480 2.230 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC001491364087 1258995248 /nfs/dbraw/zinc/99/52/48/1258995248.db2.gz PYNQEMCQKBGPIU-UHFFFAOYSA-N 2 2 348.491 2.176 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001489127363 1290388541 /nfs/dbraw/zinc/38/85/41/1290388541.db2.gz WQGYOUXGYPKMOD-YESZJQIVSA-N 2 2 348.491 2.057 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001489127363 1290388551 /nfs/dbraw/zinc/38/85/51/1290388551.db2.gz WQGYOUXGYPKMOD-YESZJQIVSA-N 2 2 348.491 2.057 10 0 EEAELP C[C@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001490312346 1291188757 /nfs/dbraw/zinc/18/87/57/1291188757.db2.gz OMBZLHNQEYZSAA-STQMWFEESA-N 2 2 332.370 2.195 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760525 1292189344 /nfs/dbraw/zinc/18/93/44/1292189344.db2.gz HMMDSLYCOLUOFK-PBHICJAKSA-N 2 2 328.403 2.041 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760525 1292189347 /nfs/dbraw/zinc/18/93/47/1292189347.db2.gz HMMDSLYCOLUOFK-PBHICJAKSA-N 2 2 328.403 2.041 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760634 1292189899 /nfs/dbraw/zinc/18/98/99/1292189899.db2.gz JVYVCYGCTIHJIQ-ROUUACIJSA-N 2 2 347.459 2.054 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760634 1292189905 /nfs/dbraw/zinc/18/99/05/1292189905.db2.gz JVYVCYGCTIHJIQ-ROUUACIJSA-N 2 2 347.459 2.054 10 0 EEAELP Cc1c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccnc1F ZINC000862268578 1295777766 /nfs/dbraw/zinc/77/77/66/1295777766.db2.gz DSGOKHGPPMNXBC-GOSISDBHSA-N 2 2 329.419 2.038 10 0 EEAELP Cc1c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccnc1F ZINC000862268578 1295777776 /nfs/dbraw/zinc/77/77/76/1295777776.db2.gz DSGOKHGPPMNXBC-GOSISDBHSA-N 2 2 329.419 2.038 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCCCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001277001060 1300764038 /nfs/dbraw/zinc/76/40/38/1300764038.db2.gz HXSLKGSBJSOYJJ-BZUAXINKSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@@H](CCC[NH2+]CC=C(Cl)Cl)NC(=O)Cc1c[nH+]cn1C ZINC001277335024 1302474829 /nfs/dbraw/zinc/47/48/29/1302474829.db2.gz GBLUMRPNBHPHEJ-NSHDSACASA-N 2 2 333.263 2.156 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)OCCC[NH+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529790 1322488141 /nfs/dbraw/zinc/48/81/41/1322488141.db2.gz QHTRBDFZBTXOMD-SJLPKXTDSA-N 2 2 334.460 2.333 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)OCCC[NH+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529790 1322488148 /nfs/dbraw/zinc/48/81/48/1322488148.db2.gz QHTRBDFZBTXOMD-SJLPKXTDSA-N 2 2 334.460 2.333 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)OCCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529790 1322488151 /nfs/dbraw/zinc/48/81/51/1322488151.db2.gz QHTRBDFZBTXOMD-SJLPKXTDSA-N 2 2 334.460 2.333 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)OCCC[N@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529790 1322488155 /nfs/dbraw/zinc/48/81/55/1322488155.db2.gz QHTRBDFZBTXOMD-SJLPKXTDSA-N 2 2 334.460 2.333 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCOCC1CC1 ZINC001264148639 1322642136 /nfs/dbraw/zinc/64/21/36/1322642136.db2.gz KNIBMTFGWBSPKW-CJNGLKHVSA-N 2 2 342.443 2.182 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCOCC1CC1 ZINC001264148639 1322642142 /nfs/dbraw/zinc/64/21/42/1322642142.db2.gz KNIBMTFGWBSPKW-CJNGLKHVSA-N 2 2 342.443 2.182 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CC2CCOCC2)c(C)[nH+]1 ZINC001265013809 1322860500 /nfs/dbraw/zinc/86/05/00/1322860500.db2.gz FODIFNHBNGKGRQ-UHFFFAOYSA-N 2 2 333.476 2.485 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[N@H+](C)CC2CCOCC2)c(C)[nH+]1 ZINC001265013809 1322860503 /nfs/dbraw/zinc/86/05/03/1322860503.db2.gz FODIFNHBNGKGRQ-UHFFFAOYSA-N 2 2 333.476 2.485 10 0 EEAELP C[C@@H]([NH2+]CCCCCF)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001265092495 1322916417 /nfs/dbraw/zinc/91/64/17/1322916417.db2.gz RNVRBROWDVBXEL-NVXWUHKLSA-N 2 2 338.471 2.462 10 0 EEAELP Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CCCC[NH+](C)C)no1 ZINC001265655124 1323299061 /nfs/dbraw/zinc/29/90/61/1323299061.db2.gz AKSLFKVWBCMXNW-KRWDZBQOSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CCCC[NH+](C)C)no1 ZINC001265655124 1323299068 /nfs/dbraw/zinc/29/90/68/1323299068.db2.gz AKSLFKVWBCMXNW-KRWDZBQOSA-N 2 2 336.480 2.186 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265718285 1323349166 /nfs/dbraw/zinc/34/91/66/1323349166.db2.gz HFJIOIGTGXBBEL-FNEBWNDKSA-N 2 2 342.487 2.238 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265718285 1323349171 /nfs/dbraw/zinc/34/91/71/1323349171.db2.gz HFJIOIGTGXBBEL-FNEBWNDKSA-N 2 2 342.487 2.238 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1F ZINC001265877267 1323448541 /nfs/dbraw/zinc/44/85/41/1323448541.db2.gz DQZQWXJEKFGCGR-HNNXBMFYSA-N 2 2 344.434 2.223 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccccc1F ZINC001265877267 1323448544 /nfs/dbraw/zinc/44/85/44/1323448544.db2.gz DQZQWXJEKFGCGR-HNNXBMFYSA-N 2 2 344.434 2.223 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001266001172 1323556727 /nfs/dbraw/zinc/55/67/27/1323556727.db2.gz JWGUGCWCQSQTAE-CQSZACIVSA-N 2 2 346.397 2.444 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001280208007 1324115878 /nfs/dbraw/zinc/11/58/78/1324115878.db2.gz QSXHPBDFGQICDI-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP CCOCC[N@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@H]12 ZINC001284059274 1326386670 /nfs/dbraw/zinc/38/66/70/1326386670.db2.gz VWZDPTFSKFYNPW-PKOBYXMFSA-N 2 2 342.443 2.326 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001284603760 1326626781 /nfs/dbraw/zinc/62/67/81/1326626781.db2.gz JQGYJBOEFYEDIK-DOTOQJQBSA-N 2 2 332.492 2.366 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001491813260 1330279169 /nfs/dbraw/zinc/27/91/69/1330279169.db2.gz BCOSVUNGZKEBJR-CVEARBPZSA-N 2 2 336.455 2.023 10 0 EEAELP CC(C)OCC[NH2+]C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491813325 1330279573 /nfs/dbraw/zinc/27/95/73/1330279573.db2.gz BOMRRIDXTLYTCD-CQSZACIVSA-N 2 2 330.432 2.040 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC=C(Cl)Cl ZINC001492085165 1330993149 /nfs/dbraw/zinc/99/31/49/1330993149.db2.gz LUUSNRBQQXXEOZ-IJLUTSLNSA-N 2 2 345.274 2.327 10 0 EEAELP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CCOCC2CCC2)CC1 ZINC001316934805 1332000313 /nfs/dbraw/zinc/00/03/13/1332000313.db2.gz WVCTWPBNDNTHKD-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CCOCC2CCC2)CC1 ZINC001316934805 1332000315 /nfs/dbraw/zinc/00/03/15/1332000315.db2.gz WVCTWPBNDNTHKD-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001317110437 1332083605 /nfs/dbraw/zinc/08/36/05/1332083605.db2.gz ZDXSRDMJXKLSBP-VBQJREDUSA-N 2 2 333.480 2.217 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001317110437 1332083608 /nfs/dbraw/zinc/08/36/08/1332083608.db2.gz ZDXSRDMJXKLSBP-VBQJREDUSA-N 2 2 333.480 2.217 10 0 EEAELP COCCCC[NH2+]C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317320746 1332177923 /nfs/dbraw/zinc/17/79/23/1332177923.db2.gz BTNNCODROKFITA-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP CCN(CC[NH2+]Cc1scnc1C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001320765517 1332947585 /nfs/dbraw/zinc/94/75/85/1332947585.db2.gz BHBMVVCHKNOFSF-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP C[C@H](C[NH2+]Cc1cc2ccccc2s1)NC(=O)Cc1c[nH+]cn1C ZINC001321710102 1333146355 /nfs/dbraw/zinc/14/63/55/1333146355.db2.gz KTBFCHXUAFBVRC-CYBMUJFWSA-N 2 2 342.468 2.472 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001326303998 1334063875 /nfs/dbraw/zinc/06/38/75/1334063875.db2.gz OFDAFYVWDALMBC-DLBZAZTESA-N 2 2 330.476 2.074 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001326369040 1334077890 /nfs/dbraw/zinc/07/78/90/1334077890.db2.gz KFLBOGCPEIODSE-MDUDVEDUSA-N 2 2 331.247 2.099 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC1=CCCCC1 ZINC001326667437 1334137979 /nfs/dbraw/zinc/13/79/79/1334137979.db2.gz LFIRVJYXIHNVFM-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC1=CCCCC1 ZINC001326667437 1334137981 /nfs/dbraw/zinc/13/79/81/1334137981.db2.gz LFIRVJYXIHNVFM-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1CCC1=CCCCC1 ZINC001326667437 1334137983 /nfs/dbraw/zinc/13/79/83/1334137983.db2.gz LFIRVJYXIHNVFM-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1[NH2+]CCCF ZINC001327883224 1334359264 /nfs/dbraw/zinc/35/92/64/1334359264.db2.gz FTJOTYUTKKRVLQ-WMLDXEAASA-N 2 2 330.407 2.282 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CC1=CCCCC1 ZINC001329474447 1334658132 /nfs/dbraw/zinc/65/81/32/1334658132.db2.gz JZFSHNAGPBGNHZ-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CC1=CCCCC1 ZINC001329474447 1334658137 /nfs/dbraw/zinc/65/81/37/1334658137.db2.gz JZFSHNAGPBGNHZ-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001330018099 1334762004 /nfs/dbraw/zinc/76/20/04/1334762004.db2.gz AGCSPJKINNYLOO-SWJNODNISA-N 2 2 330.476 2.238 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]Cc2cnn(C)c2)c(C)[nH+]1 ZINC001330877318 1334919650 /nfs/dbraw/zinc/91/96/50/1334919650.db2.gz YFFKTDYPNPYTII-CQSZACIVSA-N 2 2 343.475 2.429 10 0 EEAELP COC[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001479687784 1337357674 /nfs/dbraw/zinc/35/76/74/1337357674.db2.gz BCKMYZGYNZAXLY-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP COc1ccccc1OCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001414038760 1339140313 /nfs/dbraw/zinc/14/03/13/1339140313.db2.gz YDPPCHSDGCZJGM-UHFFFAOYSA-N 2 2 334.460 2.307 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001669974504 1356254202 /nfs/dbraw/zinc/25/42/02/1356254202.db2.gz VVBFSIUYTAIGEJ-AEFFLSMTSA-N 2 2 348.491 2.034 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001670150209 1356285877 /nfs/dbraw/zinc/28/58/77/1356285877.db2.gz SAYMFHYNNUKIKA-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567731489 1342826678 /nfs/dbraw/zinc/82/66/78/1342826678.db2.gz NLQFJZLJNBNRPH-DLBZAZTESA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567731489 1342826680 /nfs/dbraw/zinc/82/66/80/1342826680.db2.gz NLQFJZLJNBNRPH-DLBZAZTESA-N 2 2 332.492 2.416 10 0 EEAELP CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001571535499 1343231531 /nfs/dbraw/zinc/23/15/31/1343231531.db2.gz CTLMJVVCTNBXII-JKSUJKDBSA-N 2 2 332.492 2.437 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001676819620 1357212048 /nfs/dbraw/zinc/21/20/48/1357212048.db2.gz AFXXEQZQFWHMJU-MSIWKICXSA-N 2 2 330.476 2.432 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001676819620 1357212052 /nfs/dbraw/zinc/21/20/52/1357212052.db2.gz AFXXEQZQFWHMJU-MSIWKICXSA-N 2 2 330.476 2.432 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001661880891 1354717666 /nfs/dbraw/zinc/71/76/66/1354717666.db2.gz QBNZOXOQYOKKGR-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001661880891 1354717667 /nfs/dbraw/zinc/71/76/67/1354717667.db2.gz QBNZOXOQYOKKGR-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CCCc1ccccc1C ZINC001662398490 1354790871 /nfs/dbraw/zinc/79/08/71/1354790871.db2.gz CIDSIIHKFHRHTH-HNNXBMFYSA-N 2 2 328.460 2.296 10 0 EEAELP c1cn(-c2csc(C[NH2+]Cc3ccc(-c4nncnn4)cc3)c2)c[nH+]1 ZINC001662788721 1354847338 /nfs/dbraw/zinc/84/73/38/1354847338.db2.gz UKRQZBKWFUFULR-UHFFFAOYSA-N 2 2 349.423 2.471 10 0 EEAELP CCCCOCC[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001662872578 1354871232 /nfs/dbraw/zinc/87/12/32/1354871232.db2.gz OWRUAULBQKMXDI-INIZCTEOSA-N 2 2 336.480 2.000 10 0 EEAELP CCCCOCC[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001662872578 1354871235 /nfs/dbraw/zinc/87/12/35/1354871235.db2.gz OWRUAULBQKMXDI-INIZCTEOSA-N 2 2 336.480 2.000 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](Cc1ccc2ncccc2c1)C1CC1 ZINC001663777519 1355032036 /nfs/dbraw/zinc/03/20/36/1355032036.db2.gz OAAQDUHNTDZHKW-UHFFFAOYSA-N 2 2 349.438 2.212 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](Cc1ccc2ncccc2c1)C1CC1 ZINC001663777519 1355032042 /nfs/dbraw/zinc/03/20/42/1355032042.db2.gz OAAQDUHNTDZHKW-UHFFFAOYSA-N 2 2 349.438 2.212 10 0 EEAELP CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]Cc1nocc1C ZINC001665788994 1355388486 /nfs/dbraw/zinc/38/84/86/1355388486.db2.gz TZIHTUYKUPPFRQ-HNNXBMFYSA-N 2 2 341.415 2.237 10 0 EEAELP C[C@@](C[NH2+]CCC1CC1)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001666005793 1355423983 /nfs/dbraw/zinc/42/39/83/1355423983.db2.gz VGBUOVYLLKSOKQ-KXBFYZLASA-N 2 2 330.476 2.120 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC001666037872 1355430000 /nfs/dbraw/zinc/43/00/00/1355430000.db2.gz NVLHBXGRGHMTTB-LPHOPBHVSA-N 2 2 348.491 2.094 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC001666151793 1355468019 /nfs/dbraw/zinc/46/80/19/1355468019.db2.gz JTEUZHPIJAVLKZ-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001666223265 1355488799 /nfs/dbraw/zinc/48/87/99/1355488799.db2.gz GCJSXRZINGXATE-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP COCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001667737226 1355802709 /nfs/dbraw/zinc/80/27/09/1355802709.db2.gz DLLGSEGKLJZSNZ-FUHWJXTLSA-N 2 2 342.443 2.007 10 0 EEAELP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001668117680 1355876092 /nfs/dbraw/zinc/87/60/92/1355876092.db2.gz KOQHRDOOJOILSZ-WBVHZDCISA-N 2 2 330.476 2.430 10 0 EEAELP CCN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001668472689 1355947928 /nfs/dbraw/zinc/94/79/28/1355947928.db2.gz HSAYDMRVAQOMIZ-OAHLLOKOSA-N 2 2 332.473 2.145 10 0 EEAELP Cc1cccn2cc(CC(=O)NC/C=C\C[NH2+]CC3CCC3)[nH+]c12 ZINC001669091262 1356090346 /nfs/dbraw/zinc/09/03/46/1356090346.db2.gz ICQVGENKNXZSIE-IHWYPQMZSA-N 2 2 326.444 2.247 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH+]cn1C ZINC001669728411 1356199859 /nfs/dbraw/zinc/19/98/59/1356199859.db2.gz GGIJCUSUXPYEBA-RYUDHWBXSA-N 2 2 347.290 2.031 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]CC[C@@H]2CCOC2)c(C)[nH+]1 ZINC001670184685 1356292857 /nfs/dbraw/zinc/29/28/57/1356292857.db2.gz OATOQDMXMYCFPY-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1cc(F)ccc1C ZINC001670323259 1356320569 /nfs/dbraw/zinc/32/05/69/1356320569.db2.gz WRVVWVRKYRBWMO-UHFFFAOYSA-N 2 2 332.423 2.346 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001672279995 1356492868 /nfs/dbraw/zinc/49/28/68/1356492868.db2.gz NSWDILSUDGRLPQ-JKSUJKDBSA-N 2 2 332.492 2.246 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001672901273 1356610346 /nfs/dbraw/zinc/61/03/46/1356610346.db2.gz DFDQLLQOHJXFHX-AWEZNQCLSA-N 2 2 332.473 2.351 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001672904759 1356611429 /nfs/dbraw/zinc/61/14/29/1356611429.db2.gz DRGVVNKKRNYTQI-HNNXBMFYSA-N 2 2 346.500 2.443 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001674382633 1356825792 /nfs/dbraw/zinc/82/57/92/1356825792.db2.gz LROUPSSXZIFIOF-WMZOPIPTSA-N 2 2 330.476 2.382 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001674839535 1356902123 /nfs/dbraw/zinc/90/21/23/1356902123.db2.gz HHAIYQCPWVJDRC-SDQPKGBYSA-N 2 2 338.883 2.272 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCCCCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001675759112 1357046560 /nfs/dbraw/zinc/04/65/60/1357046560.db2.gz BFNXLEWKHQWOFU-JYJNAYRXSA-N 2 2 336.455 2.070 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)no1 ZINC001698921634 1405163725 /nfs/dbraw/zinc/16/37/25/1405163725.db2.gz VIRRVKVLALEGLR-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001699119246 1405274870 /nfs/dbraw/zinc/27/48/70/1405274870.db2.gz LTVWJCCACKMQEK-OAHLLOKOSA-N 2 2 346.450 2.485 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001699139084 1405288204 /nfs/dbraw/zinc/28/82/04/1405288204.db2.gz OAHKAHASHDJWPP-CHWSQXEVSA-N 2 2 335.477 2.284 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC001699590117 1405410362 /nfs/dbraw/zinc/41/03/62/1405410362.db2.gz ZOMYOMPNKMEZMI-WCQYABFASA-N 2 2 345.274 2.021 10 0 EEAELP COCCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699878215 1405545802 /nfs/dbraw/zinc/54/58/02/1405545802.db2.gz PHNNZESZBHXVEE-FUHWJXTLSA-N 2 2 336.480 2.089 10 0 EEAELP COCCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699878215 1405545807 /nfs/dbraw/zinc/54/58/07/1405545807.db2.gz PHNNZESZBHXVEE-FUHWJXTLSA-N 2 2 336.480 2.089 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2(Br)CC2)CC1 ZINC000846804715 790624626 /nfs/dbraw/zinc/62/46/26/790624626.db2.gz YAIUYWUSNKMQHJ-CQSZACIVSA-N 2 2 330.314 2.016 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2(Br)CC2)CC1 ZINC000846804715 790624631 /nfs/dbraw/zinc/62/46/31/790624631.db2.gz YAIUYWUSNKMQHJ-CQSZACIVSA-N 2 2 330.314 2.016 10 0 EEAELP CCN1C[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)OC1=O ZINC000846888980 790712199 /nfs/dbraw/zinc/71/21/99/790712199.db2.gz LAZQKYWTBJTSEN-GDBMZVCRSA-N 2 2 332.448 2.240 10 0 EEAELP CCN1C[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)OC1=O ZINC000846888980 790712205 /nfs/dbraw/zinc/71/22/05/790712205.db2.gz LAZQKYWTBJTSEN-GDBMZVCRSA-N 2 2 332.448 2.240 10 0 EEAELP Cc1cccc(C2(O)CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)c1C ZINC000809949373 783549069 /nfs/dbraw/zinc/54/90/69/783549069.db2.gz KMVXLHWJKMERKD-GOSISDBHSA-N 2 2 332.488 2.042 10 0 EEAELP Cc1cccc(C2(O)CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)c1C ZINC000809949373 783549075 /nfs/dbraw/zinc/54/90/75/783549075.db2.gz KMVXLHWJKMERKD-GOSISDBHSA-N 2 2 332.488 2.042 10 0 EEAELP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922951381 788428464 /nfs/dbraw/zinc/42/84/64/788428464.db2.gz NNOBUETYEUSRCP-CRAIPNDOSA-N 2 2 331.460 2.247 10 0 EEAELP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922951381 788428467 /nfs/dbraw/zinc/42/84/67/788428467.db2.gz NNOBUETYEUSRCP-CRAIPNDOSA-N 2 2 331.460 2.247 10 0 EEAELP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001566467944 1125627998 /nfs/dbraw/zinc/62/79/98/1125627998.db2.gz LUSVUDZITUHANA-KRWDZBQOSA-N 2 2 340.471 2.392 10 0 EEAELP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001566467944 1125627999 /nfs/dbraw/zinc/62/79/99/1125627999.db2.gz LUSVUDZITUHANA-KRWDZBQOSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@@H]([NH2+]CCOCC1CCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001566532873 1125702724 /nfs/dbraw/zinc/70/27/24/1125702724.db2.gz JEJUIPQCAWKQHF-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccon2)C1 ZINC001436423115 1087786237 /nfs/dbraw/zinc/78/62/37/1087786237.db2.gz PDMTUOCGWQQPPY-LSDHHAIUSA-N 2 2 345.447 2.069 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001437169024 1089189878 /nfs/dbraw/zinc/18/98/78/1089189878.db2.gz JWVHNZXEPQHWJQ-CXOKCQFOSA-N 2 2 339.439 2.440 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001437729777 1090285599 /nfs/dbraw/zinc/28/55/99/1090285599.db2.gz MWHPGXRFJZMKAY-CJNGLKHVSA-N 2 2 345.447 2.077 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001437729777 1090285604 /nfs/dbraw/zinc/28/56/04/1090285604.db2.gz MWHPGXRFJZMKAY-CJNGLKHVSA-N 2 2 345.447 2.077 10 0 EEAELP CC(C)CCC[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001438124386 1090651597 /nfs/dbraw/zinc/65/15/97/1090651597.db2.gz VMKAPACQGIUNKC-UHFFFAOYSA-N 2 2 332.492 2.246 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001438238035 1090717896 /nfs/dbraw/zinc/71/78/96/1090717896.db2.gz XWXHUCGUDWRHMI-IAGOWNOFSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001438238035 1090717901 /nfs/dbraw/zinc/71/79/01/1090717901.db2.gz XWXHUCGUDWRHMI-IAGOWNOFSA-N 2 2 332.492 2.414 10 0 EEAELP Cc1cc(C[NH2+]C[C@]2(NC(=O)Cn3cc[nH+]c3)CCCC[C@H]2C)on1 ZINC001438434760 1090936030 /nfs/dbraw/zinc/93/60/30/1090936030.db2.gz SNSSKIMLJNORRM-RDTXWAMCSA-N 2 2 345.447 2.034 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1C[N@H+](CCC2CC2)CCO1 ZINC001438562980 1091053788 /nfs/dbraw/zinc/05/37/88/1091053788.db2.gz BLKYWMHDUGKVQW-WBVHZDCISA-N 2 2 348.491 2.014 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1C[N@@H+](CCC2CC2)CCO1 ZINC001438562980 1091053793 /nfs/dbraw/zinc/05/37/93/1091053793.db2.gz BLKYWMHDUGKVQW-WBVHZDCISA-N 2 2 348.491 2.014 10 0 EEAELP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001438602750 1091090314 /nfs/dbraw/zinc/09/03/14/1091090314.db2.gz UCZJHOWGASNOFW-CABCVRRESA-N 2 2 336.455 2.212 10 0 EEAELP CN(CC[N@H+](C)C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001438930318 1091611070 /nfs/dbraw/zinc/61/10/70/1091611070.db2.gz UFTPOFZZMYORGH-CYBMUJFWSA-N 2 2 328.407 2.168 10 0 EEAELP CN(CC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001438930318 1091611074 /nfs/dbraw/zinc/61/10/74/1091611074.db2.gz UFTPOFZZMYORGH-CYBMUJFWSA-N 2 2 328.407 2.168 10 0 EEAELP Cc1conc1C[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001445899217 1091825914 /nfs/dbraw/zinc/82/59/14/1091825914.db2.gz PBRJGZWHZZYTSB-HZPDHXFCSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@H](C[NH2+]Cc1cscn1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001439182194 1091829727 /nfs/dbraw/zinc/82/97/27/1091829727.db2.gz OOBZWNYYYDDBOU-CZUORRHYSA-N 2 2 332.473 2.040 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)NC(=O)Cc1c[nH+]cn1C ZINC001439270078 1091928557 /nfs/dbraw/zinc/92/85/57/1091928557.db2.gz YHGSAQVCJXTUQN-SJCJKPOMSA-N 2 2 346.862 2.398 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001439487947 1092300746 /nfs/dbraw/zinc/30/07/46/1092300746.db2.gz IVGPNYLRRFACSZ-SWLSCSKDSA-N 2 2 340.418 2.180 10 0 EEAELP Cc1cccnc1C[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001439574484 1092465304 /nfs/dbraw/zinc/46/53/04/1092465304.db2.gz VBNODXNFOCCQJB-HKUYNNGSSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cccnc1C[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001439574484 1092465310 /nfs/dbraw/zinc/46/53/10/1092465310.db2.gz VBNODXNFOCCQJB-HKUYNNGSSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]Cc3ccccc3)CC2)c[nH+]1 ZINC001439622689 1092535720 /nfs/dbraw/zinc/53/57/20/1092535720.db2.gz CFYPNNVDEGISTD-UHFFFAOYSA-N 2 2 326.444 2.365 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC1([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC001439673706 1092614097 /nfs/dbraw/zinc/61/40/97/1092614097.db2.gz WNRRSQNDJRFOAI-GFCCVEGCSA-N 2 2 348.397 2.469 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001439748073 1092705726 /nfs/dbraw/zinc/70/57/26/1092705726.db2.gz HDMGOBQRSWOVKB-UHFFFAOYSA-N 2 2 329.488 2.160 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001439748073 1092705730 /nfs/dbraw/zinc/70/57/30/1092705730.db2.gz HDMGOBQRSWOVKB-UHFFFAOYSA-N 2 2 329.488 2.160 10 0 EEAELP C[C@H](CC(=O)N[C@]1(C)CC[N@H+](CCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001439848954 1092862420 /nfs/dbraw/zinc/86/24/20/1092862420.db2.gz JYBIXEVWXGIRLU-VQIMIIECSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@H](CC(=O)N[C@]1(C)CC[N@@H+](CCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001439848954 1092862422 /nfs/dbraw/zinc/86/24/22/1092862422.db2.gz JYBIXEVWXGIRLU-VQIMIIECSA-N 2 2 348.491 2.232 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCc1ccccc1C[N@H+](C)CCCF ZINC001440216229 1093290295 /nfs/dbraw/zinc/29/02/95/1093290295.db2.gz DNHGQCRWAJKGDH-UHFFFAOYSA-N 2 2 332.423 2.070 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCc1ccccc1C[N@@H+](C)CCCF ZINC001440216229 1093290299 /nfs/dbraw/zinc/29/02/99/1093290299.db2.gz DNHGQCRWAJKGDH-UHFFFAOYSA-N 2 2 332.423 2.070 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001448400129 1093404771 /nfs/dbraw/zinc/40/47/71/1093404771.db2.gz CGBZWDQILAEEJN-LSDHHAIUSA-N 2 2 336.480 2.212 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001448400129 1093404774 /nfs/dbraw/zinc/40/47/74/1093404774.db2.gz CGBZWDQILAEEJN-LSDHHAIUSA-N 2 2 336.480 2.212 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001448400129 1093404777 /nfs/dbraw/zinc/40/47/77/1093404777.db2.gz CGBZWDQILAEEJN-LSDHHAIUSA-N 2 2 336.480 2.212 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001448400129 1093404782 /nfs/dbraw/zinc/40/47/82/1093404782.db2.gz CGBZWDQILAEEJN-LSDHHAIUSA-N 2 2 336.480 2.212 10 0 EEAELP CC[C@@H](C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001440718711 1093961688 /nfs/dbraw/zinc/96/16/88/1093961688.db2.gz HOUTVWRXRODBCV-OMWUSAIZSA-N 2 2 326.444 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001440751758 1093996142 /nfs/dbraw/zinc/99/61/42/1093996142.db2.gz DTBIJEPOQMRVNG-UHFFFAOYSA-N 2 2 344.434 2.176 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cncc(F)c2)c[nH+]1 ZINC001440794432 1094036543 /nfs/dbraw/zinc/03/65/43/1094036543.db2.gz CTOHZBUTKZAUJX-KGLIPLIRSA-N 2 2 347.438 2.144 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001440822132 1094074929 /nfs/dbraw/zinc/07/49/29/1094074929.db2.gz LKRPIOZXIOPSCW-STQMWFEESA-N 2 2 336.386 2.234 10 0 EEAELP CC[C@H](C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C)OC ZINC001449079936 1094092831 /nfs/dbraw/zinc/09/28/31/1094092831.db2.gz MOTGRAHGNZYWKX-RHSMWYFYSA-N 2 2 344.459 2.428 10 0 EEAELP CC[C@H](C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C)OC ZINC001449079912 1094093390 /nfs/dbraw/zinc/09/33/90/1094093390.db2.gz MOTGRAHGNZYWKX-PBHICJAKSA-N 2 2 344.459 2.428 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001440931830 1094184216 /nfs/dbraw/zinc/18/42/16/1094184216.db2.gz CXPIXDFAAPGFEN-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001440931830 1094184221 /nfs/dbraw/zinc/18/42/21/1094184221.db2.gz CXPIXDFAAPGFEN-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001440931830 1094184223 /nfs/dbraw/zinc/18/42/23/1094184223.db2.gz CXPIXDFAAPGFEN-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001440931830 1094184226 /nfs/dbraw/zinc/18/42/26/1094184226.db2.gz CXPIXDFAAPGFEN-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001449410559 1094394314 /nfs/dbraw/zinc/39/43/14/1094394314.db2.gz OVWJFGGUNBPGKZ-CQSZACIVSA-N 2 2 336.455 2.072 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001441306879 1094757531 /nfs/dbraw/zinc/75/75/31/1094757531.db2.gz VMURPTQPXYAJFI-LJQANCHMSA-N 2 2 338.455 2.056 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001441515929 1095212321 /nfs/dbraw/zinc/21/23/21/1095212321.db2.gz ARONBNATESOOJX-BXKHEDIJSA-N 2 2 338.455 2.303 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001441575724 1095359367 /nfs/dbraw/zinc/35/93/67/1095359367.db2.gz GPTYGSJNFRIZPO-OAHLLOKOSA-N 2 2 332.473 2.281 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001441575724 1095359374 /nfs/dbraw/zinc/35/93/74/1095359374.db2.gz GPTYGSJNFRIZPO-OAHLLOKOSA-N 2 2 332.473 2.281 10 0 EEAELP COc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001441588386 1095412053 /nfs/dbraw/zinc/41/20/53/1095412053.db2.gz FLCKQDHCIBCEQK-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001441588386 1095412060 /nfs/dbraw/zinc/41/20/60/1095412060.db2.gz FLCKQDHCIBCEQK-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)c(C)o1 ZINC001441632977 1095525878 /nfs/dbraw/zinc/52/58/78/1095525878.db2.gz BBUYUZXQHHCXRM-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)c(C)o1 ZINC001441632977 1095525888 /nfs/dbraw/zinc/52/58/88/1095525888.db2.gz BBUYUZXQHHCXRM-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c(C)o1 ZINC001441632977 1095525898 /nfs/dbraw/zinc/52/58/98/1095525898.db2.gz BBUYUZXQHHCXRM-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c(C)o1 ZINC001441632977 1095525914 /nfs/dbraw/zinc/52/59/14/1095525914.db2.gz BBUYUZXQHHCXRM-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP CCc1onc(C)c1C[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001441859451 1095957761 /nfs/dbraw/zinc/95/77/61/1095957761.db2.gz LBFGKNVGXWDFCR-GFCCVEGCSA-N 2 2 347.463 2.080 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CCc2cccs2)CC1 ZINC001442224396 1096522289 /nfs/dbraw/zinc/52/22/89/1096522289.db2.gz JPIKQDDCYKDWBU-HNNXBMFYSA-N 2 2 346.500 2.404 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001442336372 1096659044 /nfs/dbraw/zinc/65/90/44/1096659044.db2.gz NRCDKUGVJAKXHR-PXAZEXFGSA-N 2 2 348.397 2.333 10 0 EEAELP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1nc2ccccc2o1 ZINC001442718657 1097090862 /nfs/dbraw/zinc/09/08/62/1097090862.db2.gz NMQQYBPWUCAXIC-HNNXBMFYSA-N 2 2 344.459 2.108 10 0 EEAELP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)Cc1nc2ccccc2o1 ZINC001442718657 1097090867 /nfs/dbraw/zinc/09/08/67/1097090867.db2.gz NMQQYBPWUCAXIC-HNNXBMFYSA-N 2 2 344.459 2.108 10 0 EEAELP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)Cc1nc2ccccc2o1 ZINC001442718657 1097090872 /nfs/dbraw/zinc/09/08/72/1097090872.db2.gz NMQQYBPWUCAXIC-HNNXBMFYSA-N 2 2 344.459 2.108 10 0 EEAELP CC[NH+](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Cc1nc2ccccc2o1 ZINC001442718657 1097090878 /nfs/dbraw/zinc/09/08/78/1097090878.db2.gz NMQQYBPWUCAXIC-HNNXBMFYSA-N 2 2 344.459 2.108 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC001442836494 1097228510 /nfs/dbraw/zinc/22/85/10/1097228510.db2.gz AFMTYYZJGSNHFY-INIZCTEOSA-N 2 2 332.473 2.158 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCCc1ccsc1 ZINC001442836494 1097228513 /nfs/dbraw/zinc/22/85/13/1097228513.db2.gz AFMTYYZJGSNHFY-INIZCTEOSA-N 2 2 332.473 2.158 10 0 EEAELP Cc1ncoc1C[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001443028842 1097436941 /nfs/dbraw/zinc/43/69/41/1097436941.db2.gz DTBAWYSVESLUHE-INIZCTEOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncoc1C[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001443028842 1097436945 /nfs/dbraw/zinc/43/69/45/1097436945.db2.gz DTBAWYSVESLUHE-INIZCTEOSA-N 2 2 348.491 2.328 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001443181296 1097621514 /nfs/dbraw/zinc/62/15/14/1097621514.db2.gz HKRPFAYWXOJOHK-WMZOPIPTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001443181296 1097621520 /nfs/dbraw/zinc/62/15/20/1097621520.db2.gz HKRPFAYWXOJOHK-WMZOPIPTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001443181296 1097621527 /nfs/dbraw/zinc/62/15/27/1097621527.db2.gz HKRPFAYWXOJOHK-WMZOPIPTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001443181296 1097621531 /nfs/dbraw/zinc/62/15/31/1097621531.db2.gz HKRPFAYWXOJOHK-WMZOPIPTSA-N 2 2 348.491 2.280 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001443839012 1098351359 /nfs/dbraw/zinc/35/13/59/1098351359.db2.gz GHKKLMCSFLBOSV-INIZCTEOSA-N 2 2 332.473 2.458 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001443839012 1098351365 /nfs/dbraw/zinc/35/13/65/1098351365.db2.gz GHKKLMCSFLBOSV-INIZCTEOSA-N 2 2 332.473 2.458 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1oc(C(C)C)nc1C ZINC001443998675 1098512945 /nfs/dbraw/zinc/51/29/45/1098512945.db2.gz AUUMDFNEQQVZNF-CYBMUJFWSA-N 2 2 333.436 2.057 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001479487622 1098562144 /nfs/dbraw/zinc/56/21/44/1098562144.db2.gz ZJAYHHXYHVMUJL-DLBZAZTESA-N 2 2 326.444 2.037 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001444143809 1098683785 /nfs/dbraw/zinc/68/37/85/1098683785.db2.gz FHIWMSLKQRRRPC-IFXJQAMLSA-N 2 2 341.459 2.058 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1 ZINC001444143809 1098683789 /nfs/dbraw/zinc/68/37/89/1098683789.db2.gz FHIWMSLKQRRRPC-IFXJQAMLSA-N 2 2 341.459 2.058 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)no1 ZINC001479738867 1098855644 /nfs/dbraw/zinc/85/56/44/1098855644.db2.gz OZLLHLIDKSQABM-KRWDZBQOSA-N 2 2 348.491 2.138 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)no1 ZINC001479738867 1098855648 /nfs/dbraw/zinc/85/56/48/1098855648.db2.gz OZLLHLIDKSQABM-KRWDZBQOSA-N 2 2 348.491 2.138 10 0 EEAELP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001479757011 1098910296 /nfs/dbraw/zinc/91/02/96/1098910296.db2.gz HUJPKFKQEYUUFL-WMZOPIPTSA-N 2 2 330.476 2.458 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001444352768 1098916825 /nfs/dbraw/zinc/91/68/25/1098916825.db2.gz LZDWKJAIXAPONA-ZIAGYGMSSA-N 2 2 328.407 2.051 10 0 EEAELP CO[C@H](C[NH2+]C1(CNC(=O)Cc2[nH]c[nH+]c2C)CCCC1)C1CCC1 ZINC001444530379 1099297600 /nfs/dbraw/zinc/29/76/00/1099297600.db2.gz CFSCFRREIVJZQQ-QGZVFWFLSA-N 2 2 348.491 2.094 10 0 EEAELP CC[C@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001480095907 1099657881 /nfs/dbraw/zinc/65/78/81/1099657881.db2.gz COPNECCTYFBMOT-JONQDZQNSA-N 2 2 331.451 2.090 10 0 EEAELP CC[C@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001480095907 1099657886 /nfs/dbraw/zinc/65/78/86/1099657886.db2.gz COPNECCTYFBMOT-JONQDZQNSA-N 2 2 331.451 2.090 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001444777428 1099679843 /nfs/dbraw/zinc/67/98/43/1099679843.db2.gz PKVXJVVNMRQDPZ-OAHLLOKOSA-N 2 2 349.504 2.277 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480189716 1099788940 /nfs/dbraw/zinc/78/89/40/1099788940.db2.gz RAAWCEFMMQQQGU-SJLPKXTDSA-N 2 2 348.491 2.000 10 0 EEAELP COCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480189716 1099788947 /nfs/dbraw/zinc/78/89/47/1099788947.db2.gz RAAWCEFMMQQQGU-SJLPKXTDSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CC2)on1 ZINC001480409399 1100226575 /nfs/dbraw/zinc/22/65/75/1100226575.db2.gz LNVXRHDIQPZMFQ-LRVUVFPRSA-N 2 2 345.447 2.102 10 0 EEAELP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CC2)on1 ZINC001480409399 1100226581 /nfs/dbraw/zinc/22/65/81/1100226581.db2.gz LNVXRHDIQPZMFQ-LRVUVFPRSA-N 2 2 345.447 2.102 10 0 EEAELP C[C@](C[NH2+]C/C=C/Cl)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001495254686 1100951354 /nfs/dbraw/zinc/95/13/54/1100951354.db2.gz MWYKHBUAFKCPGU-MRBHOPDQSA-N 2 2 336.867 2.073 10 0 EEAELP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446559811 1101040690 /nfs/dbraw/zinc/04/06/90/1101040690.db2.gz HCHVYAUCLOXJEX-KSSFIOAISA-N 2 2 330.407 2.364 10 0 EEAELP C[C@@H](c1ccccc1F)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446559811 1101040697 /nfs/dbraw/zinc/04/06/97/1101040697.db2.gz HCHVYAUCLOXJEX-KSSFIOAISA-N 2 2 330.407 2.364 10 0 EEAELP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ncc(C)o2)C1)[NH+](CC)CC ZINC001446567915 1101050904 /nfs/dbraw/zinc/05/09/04/1101050904.db2.gz XETNZAHTNLTVDO-MAUKXSAKSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ncc(C)o2)C1)[NH+](CC)CC ZINC001446567915 1101050913 /nfs/dbraw/zinc/05/09/13/1101050913.db2.gz XETNZAHTNLTVDO-MAUKXSAKSA-N 2 2 336.480 2.184 10 0 EEAELP CC(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001495419081 1101139111 /nfs/dbraw/zinc/13/91/11/1101139111.db2.gz SXQNGHMDOGBZAO-QGZVFWFLSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCC(CC[NH2+]C[C@@H](C)O)CC2)c(C)[nH+]1 ZINC001495421236 1101140189 /nfs/dbraw/zinc/14/01/89/1101140189.db2.gz BBNRLBQRSOSZII-OAHLLOKOSA-N 2 2 333.476 2.220 10 0 EEAELP 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348.491 2.363 10 0 EEAELP Cc1nocc1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001493904593 1103090482 /nfs/dbraw/zinc/09/04/82/1103090482.db2.gz QRSOPHUPLXIVBQ-SFHVURJKSA-N 2 2 342.443 2.026 10 0 EEAELP C[C@H](F)CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001447701435 1103136572 /nfs/dbraw/zinc/13/65/72/1103136572.db2.gz DXWHEZXOXNWXNF-YJBOKZPZSA-N 2 2 344.434 2.347 10 0 EEAELP C[C@H](F)CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001447701435 1103136578 /nfs/dbraw/zinc/13/65/78/1103136578.db2.gz DXWHEZXOXNWXNF-YJBOKZPZSA-N 2 2 344.434 2.347 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCOC1CCC1 ZINC001447786089 1103340741 /nfs/dbraw/zinc/34/07/41/1103340741.db2.gz XALGVCQHMCOUSD-NVXWUHKLSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOC1CCC1 ZINC001447786089 1103340758 /nfs/dbraw/zinc/34/07/58/1103340758.db2.gz XALGVCQHMCOUSD-NVXWUHKLSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCOC1CCC1 ZINC001447786089 1103340779 /nfs/dbraw/zinc/34/07/79/1103340779.db2.gz XALGVCQHMCOUSD-NVXWUHKLSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOC1CCC1 ZINC001447786089 1103340794 /nfs/dbraw/zinc/34/07/94/1103340794.db2.gz XALGVCQHMCOUSD-NVXWUHKLSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2[nH+]ccn2C)c(C)n1 ZINC001447873307 1103490675 /nfs/dbraw/zinc/49/06/75/1103490675.db2.gz AORMKHDCUXCPBG-CABCVRRESA-N 2 2 343.475 2.048 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)oc1C ZINC001448047510 1103892170 /nfs/dbraw/zinc/89/21/70/1103892170.db2.gz XLTNFADCNKLJKH-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)oc1C ZINC001448047510 1103892180 /nfs/dbraw/zinc/89/21/80/1103892180.db2.gz XLTNFADCNKLJKH-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)oc1C ZINC001448047510 1103892189 /nfs/dbraw/zinc/89/21/89/1103892189.db2.gz XLTNFADCNKLJKH-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)oc1C ZINC001448047510 1103892198 /nfs/dbraw/zinc/89/21/98/1103892198.db2.gz XLTNFADCNKLJKH-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP COCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001448117349 1104045505 /nfs/dbraw/zinc/04/55/05/1104045505.db2.gz FYKZURJRMVINEH-AWEZNQCLSA-N 2 2 344.459 2.044 10 0 EEAELP COCc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001448117349 1104045515 /nfs/dbraw/zinc/04/55/15/1104045515.db2.gz FYKZURJRMVINEH-AWEZNQCLSA-N 2 2 344.459 2.044 10 0 EEAELP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C(C)C)n1 ZINC001494675863 1104262175 /nfs/dbraw/zinc/26/21/75/1104262175.db2.gz RCBINZALNJSOLC-ROUUACIJSA-N 2 2 344.503 2.332 10 0 EEAELP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cccc(C(C)C)n1 ZINC001494675863 1104262181 /nfs/dbraw/zinc/26/21/81/1104262181.db2.gz RCBINZALNJSOLC-ROUUACIJSA-N 2 2 344.503 2.332 10 0 EEAELP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C(C)C)n1 ZINC001494675863 1104262186 /nfs/dbraw/zinc/26/21/86/1104262186.db2.gz RCBINZALNJSOLC-ROUUACIJSA-N 2 2 344.503 2.332 10 0 EEAELP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C(C)C)n1 ZINC001494675863 1104262190 /nfs/dbraw/zinc/26/21/90/1104262190.db2.gz RCBINZALNJSOLC-ROUUACIJSA-N 2 2 344.503 2.332 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001494900419 1104527602 /nfs/dbraw/zinc/52/76/02/1104527602.db2.gz GKBHVOSDNBHTLB-GOSISDBHSA-N 2 2 344.434 2.454 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001494900419 1104527620 /nfs/dbraw/zinc/52/76/20/1104527620.db2.gz GKBHVOSDNBHTLB-GOSISDBHSA-N 2 2 344.434 2.454 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)Cc2cnc(C)s2)c[nH+]1 ZINC001498316979 1107281140 /nfs/dbraw/zinc/28/11/40/1107281140.db2.gz PJILNINKWBUHGC-ZDUSSCGKSA-N 2 2 349.504 2.328 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc2cnc(C)s2)c[nH+]1 ZINC001498316979 1107281148 /nfs/dbraw/zinc/28/11/48/1107281148.db2.gz PJILNINKWBUHGC-ZDUSSCGKSA-N 2 2 349.504 2.328 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498323697 1107292011 /nfs/dbraw/zinc/29/20/11/1107292011.db2.gz GCRDDKFQYFEQGA-HNNXBMFYSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498323697 1107292020 /nfs/dbraw/zinc/29/20/20/1107292020.db2.gz GCRDDKFQYFEQGA-HNNXBMFYSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498323697 1107292032 /nfs/dbraw/zinc/29/20/32/1107292032.db2.gz GCRDDKFQYFEQGA-HNNXBMFYSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001498323697 1107292044 /nfs/dbraw/zinc/29/20/44/1107292044.db2.gz GCRDDKFQYFEQGA-HNNXBMFYSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@H](C[N@H+](C)[C@@H](C)c1cc(F)ccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001498466895 1107586201 /nfs/dbraw/zinc/58/62/01/1107586201.db2.gz XIDSDXSFRIDSKP-OLZOCXBDSA-N 2 2 336.386 2.359 10 0 EEAELP C[C@H](C[N@@H+](C)[C@@H](C)c1cc(F)ccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001498466895 1107586213 /nfs/dbraw/zinc/58/62/13/1107586213.db2.gz XIDSDXSFRIDSKP-OLZOCXBDSA-N 2 2 336.386 2.359 10 0 EEAELP CC(C)c1cnc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)o1 ZINC001493150135 1107596582 /nfs/dbraw/zinc/59/65/82/1107596582.db2.gz BBJBGIRFSUJXKJ-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[N@H+]2CCC[C@@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)o1 ZINC001493150135 1107596590 /nfs/dbraw/zinc/59/65/90/1107596590.db2.gz BBJBGIRFSUJXKJ-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+]2CCC[C@@H]2CNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001493150135 1107596597 /nfs/dbraw/zinc/59/65/97/1107596597.db2.gz BBJBGIRFSUJXKJ-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+]2CCC[C@@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001493150135 1107596604 /nfs/dbraw/zinc/59/66/04/1107596604.db2.gz BBJBGIRFSUJXKJ-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCOC ZINC001498891134 1108286128 /nfs/dbraw/zinc/28/61/28/1108286128.db2.gz ZIKIOYXEUJKMBE-HIFRSBDPSA-N 2 2 330.432 2.040 10 0 EEAELP CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001493763664 1108639251 /nfs/dbraw/zinc/63/92/51/1108639251.db2.gz MPUBVWAYNKTSJZ-UHFFFAOYSA-N 2 2 340.471 2.424 10 0 EEAELP CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232666 1109117949 /nfs/dbraw/zinc/11/79/49/1109117949.db2.gz VLZFXNQZWOIVIJ-CRAIPNDOSA-N 2 2 329.488 2.280 10 0 EEAELP CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232666 1109117951 /nfs/dbraw/zinc/11/79/51/1109117951.db2.gz VLZFXNQZWOIVIJ-CRAIPNDOSA-N 2 2 329.488 2.280 10 0 EEAELP CC[NH+]1C[C@@H](NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232666 1109117953 /nfs/dbraw/zinc/11/79/53/1109117953.db2.gz VLZFXNQZWOIVIJ-CRAIPNDOSA-N 2 2 329.488 2.280 10 0 EEAELP CC[NH+]1C[C@@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232666 1109117956 /nfs/dbraw/zinc/11/79/56/1109117956.db2.gz VLZFXNQZWOIVIJ-CRAIPNDOSA-N 2 2 329.488 2.280 10 0 EEAELP Cc1nn(C)c(Cl)c1C[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460937857 1110328663 /nfs/dbraw/zinc/32/86/63/1110328663.db2.gz CXDZYTSMRJJGAA-UHFFFAOYSA-N 2 2 340.899 2.195 10 0 EEAELP CC[N@@H+]1CC[C@H]1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC001467627053 1110460612 /nfs/dbraw/zinc/46/06/12/1110460612.db2.gz OCMSVSISGPIPMI-IBGZPJMESA-N 2 2 344.503 2.497 10 0 EEAELP CC[N@H+]1CC[C@H]1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC001467627053 1110460613 /nfs/dbraw/zinc/46/06/13/1110460613.db2.gz OCMSVSISGPIPMI-IBGZPJMESA-N 2 2 344.503 2.497 10 0 EEAELP CC[NH+]1CCC(C(=O)NCc2c[nH+]cn2C)(c2ccccc2)CC1 ZINC001471282140 1110519888 /nfs/dbraw/zinc/51/98/88/1110519888.db2.gz KSRIVBKEPCWPGR-UHFFFAOYSA-N 2 2 326.444 2.090 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC001499473227 1112304482 /nfs/dbraw/zinc/30/44/82/1112304482.db2.gz OHBLPGRKPFIINP-UHFFFAOYSA-N 2 2 336.798 2.114 10 0 EEAELP C[C@@H](O)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001499492336 1112320265 /nfs/dbraw/zinc/32/02/65/1112320265.db2.gz YDPBJCYQLNOYQM-CCNLRDMRSA-N 2 2 348.491 2.005 10 0 EEAELP C[C@@H](O)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001499492336 1112320270 /nfs/dbraw/zinc/32/02/70/1112320270.db2.gz YDPBJCYQLNOYQM-CCNLRDMRSA-N 2 2 348.491 2.005 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)o1 ZINC001501704096 1113442489 /nfs/dbraw/zinc/44/24/89/1113442489.db2.gz BXMJYTLUNZJSMR-WKILWMFISA-N 2 2 345.447 2.034 10 0 EEAELP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001501970966 1113542726 /nfs/dbraw/zinc/54/27/26/1113542726.db2.gz MCQZGJKQTMYTPM-QDLOVBKTSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc3nccs3)ccn12 ZINC001505606291 1114081199 /nfs/dbraw/zinc/08/11/99/1114081199.db2.gz PTNOCKKNYHXJHY-OLZOCXBDSA-N 2 2 343.456 2.396 10 0 EEAELP C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)[C@H](C)[NH2+]CCC(F)(F)F ZINC001505606367 1114081966 /nfs/dbraw/zinc/08/19/66/1114081966.db2.gz QPOJZCNAXQSGRQ-NWDGAFQWSA-N 2 2 346.397 2.197 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc3coc(C)n3)ccn12 ZINC001505607052 1114082196 /nfs/dbraw/zinc/08/21/96/1114082196.db2.gz ZMNMAKZNLWQFPY-QWHCGFSZSA-N 2 2 341.415 2.236 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001505663347 1114116845 /nfs/dbraw/zinc/11/68/45/1114116845.db2.gz DBLHZTGJYXGNPO-JKSUJKDBSA-N 2 2 343.475 2.022 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001505733462 1114157723 /nfs/dbraw/zinc/15/77/23/1114157723.db2.gz TYYDYMAXPBSVTO-IAGOWNOFSA-N 2 2 342.487 2.387 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@@H+](C)CCOCC(C)C)ccn12 ZINC001505920774 1114277054 /nfs/dbraw/zinc/27/70/54/1114277054.db2.gz STWVIXXKPBSNTL-OAHLLOKOSA-N 2 2 346.475 2.365 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[N@H+](C)CCOCC(C)C)ccn12 ZINC001505920774 1114277057 /nfs/dbraw/zinc/27/70/57/1114277057.db2.gz STWVIXXKPBSNTL-OAHLLOKOSA-N 2 2 346.475 2.365 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+](C)CCOc1ccccc1 ZINC001505940091 1114291078 /nfs/dbraw/zinc/29/10/78/1114291078.db2.gz VPMHQNNSCNLFDO-DJIMGWMZSA-N 2 2 342.443 2.029 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+](C)CCOc1ccccc1 ZINC001505940091 1114291080 /nfs/dbraw/zinc/29/10/80/1114291080.db2.gz VPMHQNNSCNLFDO-DJIMGWMZSA-N 2 2 342.443 2.029 10 0 EEAELP CCC(CC)C[NH+]1CC(CCO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001506104523 1114410722 /nfs/dbraw/zinc/41/07/22/1114410722.db2.gz WYXITSWHRJILGW-UHFFFAOYSA-N 2 2 344.459 2.166 10 0 EEAELP CCCC[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001506537464 1114682922 /nfs/dbraw/zinc/68/29/22/1114682922.db2.gz NOWMVDKMVJXBAH-SJPZSHDVSA-N 2 2 338.883 2.463 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001506907912 1114964717 /nfs/dbraw/zinc/96/47/17/1114964717.db2.gz TXAVOMLDVOCSAH-HSAWPVDNSA-N 2 2 345.274 2.467 10 0 EEAELP C[C@H](CCC[NH2+]C[C@H]1CCCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001506930756 1114981755 /nfs/dbraw/zinc/98/17/55/1114981755.db2.gz KQMVOBABNUCVLB-HZPDHXFCSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)Cc2c[nH+]cn2C)c(C)n1 ZINC001506945805 1114994129 /nfs/dbraw/zinc/99/41/29/1114994129.db2.gz HLACQXUZIBHQOK-AWEZNQCLSA-N 2 2 343.475 2.049 10 0 EEAELP CC(C)[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CCC1 ZINC001506986580 1115033391 /nfs/dbraw/zinc/03/33/91/1115033391.db2.gz UPGUBKDLLMPIPO-DLBZAZTESA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H](C[NH2+]Cc1cscn1)C1CC1)n1cc[nH+]c1 ZINC001507027829 1115065507 /nfs/dbraw/zinc/06/55/07/1115065507.db2.gz STWPRJGCQKRIGF-CZUORRHYSA-N 2 2 347.488 2.318 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC=C(Cl)Cl ZINC001507091957 1115103721 /nfs/dbraw/zinc/10/37/21/1115103721.db2.gz LEXRNLWGWAHPCZ-RYUDHWBXSA-N 2 2 345.274 2.201 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001507403506 1115253057 /nfs/dbraw/zinc/25/30/57/1115253057.db2.gz OTPVCHYJPFPHND-MESVKQRTSA-N 2 2 337.851 2.260 10 0 EEAELP C[C@H]1C[N@H+](CCCOC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001519458018 1119080556 /nfs/dbraw/zinc/08/05/56/1119080556.db2.gz BKMGCPZZINANPL-HNNXBMFYSA-N 2 2 329.400 2.140 10 0 EEAELP C[C@H]1C[N@@H+](CCCOC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001519458018 1119080561 /nfs/dbraw/zinc/08/05/61/1119080561.db2.gz BKMGCPZZINANPL-HNNXBMFYSA-N 2 2 329.400 2.140 10 0 EEAELP CC[C@@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001540488967 1124084438 /nfs/dbraw/zinc/08/44/38/1124084438.db2.gz JUGUCJWLJYWYDB-KSZLIROESA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC001540488967 1124084442 /nfs/dbraw/zinc/08/44/42/1124084442.db2.gz JUGUCJWLJYWYDB-KSZLIROESA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC001540488967 1124084447 /nfs/dbraw/zinc/08/44/47/1124084447.db2.gz JUGUCJWLJYWYDB-KSZLIROESA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC001540488967 1124084453 /nfs/dbraw/zinc/08/44/53/1124084453.db2.gz JUGUCJWLJYWYDB-KSZLIROESA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001568283246 1124403641 /nfs/dbraw/zinc/40/36/41/1124403641.db2.gz ZWICBWSNQKWAFD-AEFFLSMTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001568633869 1124647846 /nfs/dbraw/zinc/64/78/46/1124647846.db2.gz PAIGFSCUUGLREB-RDTXWAMCSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001568633869 1124647850 /nfs/dbraw/zinc/64/78/50/1124647850.db2.gz PAIGFSCUUGLREB-RDTXWAMCSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001568639829 1124652703 /nfs/dbraw/zinc/65/27/03/1124652703.db2.gz ZYDWCPJQQXWXGC-JTQLQIEISA-N 2 2 341.868 2.137 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001568639829 1124652708 /nfs/dbraw/zinc/65/27/08/1124652708.db2.gz ZYDWCPJQQXWXGC-JTQLQIEISA-N 2 2 341.868 2.137 10 0 EEAELP Cc1nc(CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cs1 ZINC001568644165 1124655916 /nfs/dbraw/zinc/65/59/16/1124655916.db2.gz LIQODXMFMGZSKP-KCPJHIHWSA-N 2 2 347.488 2.005 10 0 EEAELP Cc1nc(CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cs1 ZINC001568644165 1124655921 /nfs/dbraw/zinc/65/59/21/1124655921.db2.gz LIQODXMFMGZSKP-KCPJHIHWSA-N 2 2 347.488 2.005 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CCc2[nH+]ccn2C)s1 ZINC001568659745 1124674706 /nfs/dbraw/zinc/67/47/06/1124674706.db2.gz KWWQFJSZAODCCF-GFCCVEGCSA-N 2 2 349.504 2.111 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001569327864 1125231951 /nfs/dbraw/zinc/23/19/51/1125231951.db2.gz RTIVYRGDJZWOLU-GOSISDBHSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC000178748031 282216932 /nfs/dbraw/zinc/21/69/32/282216932.db2.gz CLHGQMYNLHVUGO-CYBMUJFWSA-N 2 2 333.823 2.343 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccnc1Cl ZINC000178748031 282216935 /nfs/dbraw/zinc/21/69/35/282216935.db2.gz CLHGQMYNLHVUGO-CYBMUJFWSA-N 2 2 333.823 2.343 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179714508 233355871 /nfs/dbraw/zinc/35/58/71/233355871.db2.gz FWWRHKXTZISCAO-QZTJIDSGSA-N 2 2 341.503 2.325 10 0 EEAELP Clc1cnc(NCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422776443 240220684 /nfs/dbraw/zinc/22/06/84/240220684.db2.gz DOCDURIISRFXIS-KGLIPLIRSA-N 2 2 345.274 2.157 10 0 EEAELP CC[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422885087 240274245 /nfs/dbraw/zinc/27/42/45/240274245.db2.gz UAKXFPHYEJRUQN-LMSBXDPUSA-N 2 2 332.492 2.315 10 0 EEAELP Fc1cccc(OC(F)F)c1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422922735 240291292 /nfs/dbraw/zinc/29/12/92/240291292.db2.gz UFQSMUVPFPKQNT-GJZGRUSLSA-N 2 2 330.350 2.284 10 0 EEAELP Fc1ccc(-c2nc(CC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)co2)cc1 ZINC000422933971 240296856 /nfs/dbraw/zinc/29/68/56/240296856.db2.gz BVBNZDPEBLPUOC-QZTJIDSGSA-N 2 2 345.418 2.380 10 0 EEAELP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000423050576 240343186 /nfs/dbraw/zinc/34/31/86/240343186.db2.gz MLGCROFJDSHQDR-MSOLQXFVSA-N 2 2 342.418 2.292 10 0 EEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246733917 243301886 /nfs/dbraw/zinc/30/18/86/243301886.db2.gz VWFUPEQGJIGAOM-MHORFTMASA-N 2 2 347.507 2.424 10 0 EEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246733917 243301894 /nfs/dbraw/zinc/30/18/94/243301894.db2.gz VWFUPEQGJIGAOM-MHORFTMASA-N 2 2 347.507 2.424 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(-c2ccccc2)nn1C ZINC000453078283 243392728 /nfs/dbraw/zinc/39/27/28/243392728.db2.gz CGQQTZMPDJYZNQ-NVXWUHKLSA-N 2 2 328.460 2.194 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H]2CCCC[C@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636805 258025306 /nfs/dbraw/zinc/02/53/06/258025306.db2.gz OGDXNBHWTLMLDI-GDAAHCPNSA-N 2 2 334.508 2.428 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H]2CCCC[C@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636805 258025308 /nfs/dbraw/zinc/02/53/08/258025308.db2.gz OGDXNBHWTLMLDI-GDAAHCPNSA-N 2 2 334.508 2.428 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H]2CCCC[C@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636805 258025311 /nfs/dbraw/zinc/02/53/11/258025311.db2.gz OGDXNBHWTLMLDI-GDAAHCPNSA-N 2 2 334.508 2.428 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H]2CCCC[C@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636805 258025312 /nfs/dbraw/zinc/02/53/12/258025312.db2.gz OGDXNBHWTLMLDI-GDAAHCPNSA-N 2 2 334.508 2.428 10 0 EEAELP COC[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423153390 285378246 /nfs/dbraw/zinc/37/82/46/285378246.db2.gz NHPLLLIVSAHOGN-CGTJXYLNSA-N 2 2 338.879 2.427 10 0 EEAELP Cc1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000172749133 152115948 /nfs/dbraw/zinc/11/59/48/152115948.db2.gz DINRCZOCNTVVFG-UHFFFAOYSA-N 2 2 336.505 2.132 10 0 EEAELP C[N@H+](CCN1CCC(C[NH+]2CCOCC2)CC1)Cc1ccc(F)cc1 ZINC000173211231 152152303 /nfs/dbraw/zinc/15/23/03/152152303.db2.gz IMKCPEYZHGXNHY-UHFFFAOYSA-N 2 2 349.494 2.302 10 0 EEAELP C[N@@H+](CCN1CCC(C[NH+]2CCOCC2)CC1)Cc1ccc(F)cc1 ZINC000173211231 152152309 /nfs/dbraw/zinc/15/23/09/152152309.db2.gz IMKCPEYZHGXNHY-UHFFFAOYSA-N 2 2 349.494 2.302 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccsc1 ZINC000262922694 152338963 /nfs/dbraw/zinc/33/89/63/152338963.db2.gz HANFJJYUDSFWPO-OLZOCXBDSA-N 2 2 331.432 2.244 10 0 EEAELP C[NH+]1CCC(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000374316876 154049243 /nfs/dbraw/zinc/04/92/43/154049243.db2.gz ZIXNIHMPJIYRHY-INIZCTEOSA-N 2 2 330.476 2.267 10 0 EEAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377343464 154153605 /nfs/dbraw/zinc/15/36/05/154153605.db2.gz DOBVIVXDUBRDJG-LSDHHAIUSA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377343464 154153608 /nfs/dbraw/zinc/15/36/08/154153608.db2.gz DOBVIVXDUBRDJG-LSDHHAIUSA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377343464 154153610 /nfs/dbraw/zinc/15/36/10/154153610.db2.gz DOBVIVXDUBRDJG-LSDHHAIUSA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377343464 154153612 /nfs/dbraw/zinc/15/36/12/154153612.db2.gz DOBVIVXDUBRDJG-LSDHHAIUSA-N 2 2 347.507 2.467 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000248873489 160365755 /nfs/dbraw/zinc/36/57/55/160365755.db2.gz LAWSEAOGINOXPP-NVXWUHKLSA-N 2 2 336.443 2.125 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000248873489 160365756 /nfs/dbraw/zinc/36/57/56/160365756.db2.gz LAWSEAOGINOXPP-NVXWUHKLSA-N 2 2 336.443 2.125 10 0 EEAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000132216390 292398799 /nfs/dbraw/zinc/39/87/99/292398799.db2.gz PNORUBMCARKEMH-QGZVFWFLSA-N 2 2 336.439 2.166 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610772 160183647 /nfs/dbraw/zinc/18/36/47/160183647.db2.gz NSGYNCLDTHLRJH-WTTBNOFXSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610772 160183648 /nfs/dbraw/zinc/18/36/48/160183648.db2.gz NSGYNCLDTHLRJH-WTTBNOFXSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610772 160183650 /nfs/dbraw/zinc/18/36/50/160183650.db2.gz NSGYNCLDTHLRJH-WTTBNOFXSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610772 160183652 /nfs/dbraw/zinc/18/36/52/160183652.db2.gz NSGYNCLDTHLRJH-WTTBNOFXSA-N 2 2 341.455 2.492 10 0 EEAELP CC(C)([NH3+])CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000236576465 160218846 /nfs/dbraw/zinc/21/88/46/160218846.db2.gz ZLHIKSLJCAEENM-GFCCVEGCSA-N 2 2 325.403 2.173 10 0 EEAELP CC(C)([NH3+])CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000236576465 160218847 /nfs/dbraw/zinc/21/88/47/160218847.db2.gz ZLHIKSLJCAEENM-GFCCVEGCSA-N 2 2 325.403 2.173 10 0 EEAELP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246098606 160263159 /nfs/dbraw/zinc/26/31/59/160263159.db2.gz OZOBPEPREJJOJP-RDTXWAMCSA-N 2 2 342.443 2.079 10 0 EEAELP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246098606 160263160 /nfs/dbraw/zinc/26/31/60/160263160.db2.gz OZOBPEPREJJOJP-RDTXWAMCSA-N 2 2 342.443 2.079 10 0 EEAELP O=C(C[N@@H+]1CCC=C(c2ccco2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000352550783 162183418 /nfs/dbraw/zinc/18/34/18/162183418.db2.gz QRDJVPFBYCEXGN-UHFFFAOYSA-N 2 2 329.444 2.112 10 0 EEAELP O=C(C[N@H+]1CCC=C(c2ccco2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000352550783 162183420 /nfs/dbraw/zinc/18/34/20/162183420.db2.gz QRDJVPFBYCEXGN-UHFFFAOYSA-N 2 2 329.444 2.112 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC000360336198 164287078 /nfs/dbraw/zinc/28/70/78/164287078.db2.gz JIQXNHOLZJWGNT-NVXWUHKLSA-N 2 2 342.491 2.428 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC000360336198 164287081 /nfs/dbraw/zinc/28/70/81/164287081.db2.gz JIQXNHOLZJWGNT-NVXWUHKLSA-N 2 2 342.491 2.428 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC000360336199 164287352 /nfs/dbraw/zinc/28/73/52/164287352.db2.gz JIQXNHOLZJWGNT-RDJZCZTQSA-N 2 2 342.491 2.428 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC000360336199 164287353 /nfs/dbraw/zinc/28/73/53/164287353.db2.gz JIQXNHOLZJWGNT-RDJZCZTQSA-N 2 2 342.491 2.428 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106660 275377197 /nfs/dbraw/zinc/37/71/97/275377197.db2.gz IMTAEZUNSYAEIS-AEFFLSMTSA-N 2 2 333.863 2.473 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106660 275377198 /nfs/dbraw/zinc/37/71/98/275377198.db2.gz IMTAEZUNSYAEIS-AEFFLSMTSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106660 275377199 /nfs/dbraw/zinc/37/71/99/275377199.db2.gz IMTAEZUNSYAEIS-AEFFLSMTSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106660 275377201 /nfs/dbraw/zinc/37/72/01/275377201.db2.gz IMTAEZUNSYAEIS-AEFFLSMTSA-N 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C[C@H](CN1CCOCC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337456769 278193625 /nfs/dbraw/zinc/19/36/25/278193625.db2.gz XMPBDZDLMVICOH-IAGOWNOFSA-N 2 2 332.492 2.120 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C[C@H](C)OC ZINC000361570233 279050971 /nfs/dbraw/zinc/05/09/71/279050971.db2.gz VPEDDQSTICDYEP-ZWKOTPCHSA-N 2 2 347.503 2.249 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C[C@H](C)OC ZINC000361570233 279050972 /nfs/dbraw/zinc/05/09/72/279050972.db2.gz VPEDDQSTICDYEP-ZWKOTPCHSA-N 2 2 347.503 2.249 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000296617735 294022305 /nfs/dbraw/zinc/02/23/05/294022305.db2.gz KORLUQCYJJJCIV-NVXWUHKLSA-N 2 2 341.459 2.223 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000296617735 294022306 /nfs/dbraw/zinc/02/23/06/294022306.db2.gz KORLUQCYJJJCIV-NVXWUHKLSA-N 2 2 341.459 2.223 10 0 EEAELP CCOC(=O)c1csc(C2CC[NH+](CCc3c[nH+]cn3C)CC2)n1 ZINC000297566427 294282138 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EEAELP CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000563405149 319007475 /nfs/dbraw/zinc/00/74/75/319007475.db2.gz RZLZSPPZHJVANS-OAHLLOKOSA-N 2 2 339.486 2.333 10 0 EEAELP Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cs1 ZINC000564071549 319065102 /nfs/dbraw/zinc/06/51/02/319065102.db2.gz ZNBOATIJDLLAIL-DGCLKSJQSA-N 2 2 333.461 2.027 10 0 EEAELP O[C@H](C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C(F)(F)F ZINC000564864056 319119631 /nfs/dbraw/zinc/11/96/31/319119631.db2.gz OBIJCHVTMZTCMR-VQXHTEKXSA-N 2 2 334.304 2.305 10 0 EEAELP CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000565117675 319150934 /nfs/dbraw/zinc/15/09/34/319150934.db2.gz SLUTWHYJXOLJIE-UGSOOPFHSA-N 2 2 328.416 2.251 10 0 EEAELP CC[C@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000565117675 319150937 /nfs/dbraw/zinc/15/09/37/319150937.db2.gz SLUTWHYJXOLJIE-UGSOOPFHSA-N 2 2 328.416 2.251 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000566791759 319321411 /nfs/dbraw/zinc/32/14/11/319321411.db2.gz GILCXSQWIRBFJP-STQMWFEESA-N 2 2 332.366 2.129 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1C(F)(F)F ZINC000566791759 319321412 /nfs/dbraw/zinc/32/14/12/319321412.db2.gz GILCXSQWIRBFJP-STQMWFEESA-N 2 2 332.366 2.129 10 0 EEAELP O[C@@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCCCC1 ZINC000623858219 450616839 /nfs/dbraw/zinc/61/68/39/450616839.db2.gz FYCOQCBGQMAWNY-AWEZNQCLSA-N 2 2 325.416 2.141 10 0 EEAELP O=S1(=O)CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358294294 465042829 /nfs/dbraw/zinc/04/28/29/465042829.db2.gz YTGAAQQOSNJXFD-IPQPSQTFSA-N 2 2 348.512 2.349 10 0 EEAELP O=S1(=O)CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358294294 465042834 /nfs/dbraw/zinc/04/28/34/465042834.db2.gz YTGAAQQOSNJXFD-IPQPSQTFSA-N 2 2 348.512 2.349 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H]3CCN(C4CC4)C3)c2cc1C ZINC000336892705 465085748 /nfs/dbraw/zinc/08/57/48/465085748.db2.gz SJQCZVGQHOTNEK-ROUUACIJSA-N 2 2 342.487 2.183 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H]3CCN(C4CC4)C3)c2cc1C ZINC000336892705 465085753 /nfs/dbraw/zinc/08/57/53/465085753.db2.gz SJQCZVGQHOTNEK-ROUUACIJSA-N 2 2 342.487 2.183 10 0 EEAELP CC[N@H+](CCO)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000339353046 465219276 /nfs/dbraw/zinc/21/92/76/465219276.db2.gz FGIZFHNNPTVNDT-AWEZNQCLSA-N 2 2 341.293 2.210 10 0 EEAELP CC[N@@H+](CCO)CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000339353046 465219281 /nfs/dbraw/zinc/21/92/81/465219281.db2.gz FGIZFHNNPTVNDT-AWEZNQCLSA-N 2 2 341.293 2.210 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000551986179 468290856 /nfs/dbraw/zinc/29/08/56/468290856.db2.gz WBOGYTORDZRWQH-HEHGZKQESA-N 2 2 328.416 2.418 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2CC=CCC2)([NH+]2CCCCC2)CC1 ZINC000074330188 462588311 /nfs/dbraw/zinc/58/83/11/462588311.db2.gz XEBOHBAZSMBQFW-QGZVFWFLSA-N 2 2 334.508 2.345 10 0 EEAELP C[NH+](C)[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000066044203 462848601 /nfs/dbraw/zinc/84/86/01/462848601.db2.gz PTFGLLVEXQUOSQ-KRWDZBQOSA-N 2 2 335.411 2.186 10 0 EEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000095972718 463120098 /nfs/dbraw/zinc/12/00/98/463120098.db2.gz HISJCYDDUWXCAE-KRWDZBQOSA-N 2 2 335.411 2.007 10 0 EEAELP O=C(C[N@@H+]1CCc2sccc2C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069655387 463296091 /nfs/dbraw/zinc/29/60/91/463296091.db2.gz ALXJBEZIHPAUJT-OAHLLOKOSA-N 2 2 330.457 2.166 10 0 EEAELP O=C(C[N@H+]1CCc2sccc2C1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069655387 463296097 /nfs/dbraw/zinc/29/60/97/463296097.db2.gz ALXJBEZIHPAUJT-OAHLLOKOSA-N 2 2 330.457 2.166 10 0 EEAELP c1cn(-c2ccc(C[NH2+][C@@H]3CCCN(c4cccnn4)C3)cc2)c[nH+]1 ZINC000069738318 463313115 /nfs/dbraw/zinc/31/31/15/463313115.db2.gz ODZDPQKWULJGSP-QGZVFWFLSA-N 2 2 334.427 2.421 10 0 EEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000123444392 463343188 /nfs/dbraw/zinc/34/31/88/463343188.db2.gz BGXHZEOIUTYYIZ-IBGZPJMESA-N 2 2 338.455 2.422 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCc2c(F)cccc2F)CC[N@@H+]1C ZINC000123645993 463357781 /nfs/dbraw/zinc/35/77/81/463357781.db2.gz GYHIEWUOMUUBEF-UONOGXRCSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCc2c(F)cccc2F)CC[N@H+]1C ZINC000123645993 463357786 /nfs/dbraw/zinc/35/77/86/463357786.db2.gz GYHIEWUOMUUBEF-UONOGXRCSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCCc2c(F)cccc2F)CC[NH+]1C ZINC000123645993 463357793 /nfs/dbraw/zinc/35/77/93/463357793.db2.gz GYHIEWUOMUUBEF-UONOGXRCSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCCc2c(F)cccc2F)CC[NH+]1C ZINC000123645993 463357795 /nfs/dbraw/zinc/35/77/95/463357795.db2.gz GYHIEWUOMUUBEF-UONOGXRCSA-N 2 2 339.430 2.038 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123709412 463362545 /nfs/dbraw/zinc/36/25/45/463362545.db2.gz FDFFGXOJBCISLM-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123709412 463362549 /nfs/dbraw/zinc/36/25/49/463362549.db2.gz FDFFGXOJBCISLM-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123709412 463362553 /nfs/dbraw/zinc/36/25/53/463362553.db2.gz FDFFGXOJBCISLM-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123709412 463362556 /nfs/dbraw/zinc/36/25/56/463362556.db2.gz FDFFGXOJBCISLM-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCc2ccccc2)[C@H](C)C1 ZINC000081095076 463394845 /nfs/dbraw/zinc/39/48/45/463394845.db2.gz ZSQNTUZTQLEUMD-IEBWSBKVSA-N 2 2 331.504 2.398 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCCc2ccccc2)[C@H](C)C1 ZINC000081095076 463394848 /nfs/dbraw/zinc/39/48/48/463394848.db2.gz ZSQNTUZTQLEUMD-IEBWSBKVSA-N 2 2 331.504 2.398 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCCc2ccccc2)[C@H](C)C1 ZINC000081095076 463394850 /nfs/dbraw/zinc/39/48/50/463394850.db2.gz ZSQNTUZTQLEUMD-IEBWSBKVSA-N 2 2 331.504 2.398 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCCc2ccccc2)[C@H](C)C1 ZINC000081095076 463394853 /nfs/dbraw/zinc/39/48/53/463394853.db2.gz ZSQNTUZTQLEUMD-IEBWSBKVSA-N 2 2 331.504 2.398 10 0 EEAELP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000105142644 463440189 /nfs/dbraw/zinc/44/01/89/463440189.db2.gz QCZFPMKRBJDCEJ-INIZCTEOSA-N 2 2 345.491 2.082 10 0 EEAELP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000105142644 463440192 /nfs/dbraw/zinc/44/01/92/463440192.db2.gz QCZFPMKRBJDCEJ-INIZCTEOSA-N 2 2 345.491 2.082 10 0 EEAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000071877043 463451882 /nfs/dbraw/zinc/45/18/82/463451882.db2.gz IBOAVJUTIVVKNC-QZTJIDSGSA-N 2 2 334.508 2.267 10 0 EEAELP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000071877043 463451889 /nfs/dbraw/zinc/45/18/89/463451889.db2.gz IBOAVJUTIVVKNC-QZTJIDSGSA-N 2 2 334.508 2.267 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000105896678 463492390 /nfs/dbraw/zinc/49/23/90/463492390.db2.gz AIZVTNFUFMWKSF-AWEZNQCLSA-N 2 2 331.420 2.408 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000105896678 463492394 /nfs/dbraw/zinc/49/23/94/463492394.db2.gz AIZVTNFUFMWKSF-AWEZNQCLSA-N 2 2 331.420 2.408 10 0 EEAELP Cc1cc2n(n1)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C1)CN2 ZINC000058332737 463581043 /nfs/dbraw/zinc/58/10/43/463581043.db2.gz VIIKLDPLAOZBQS-QZTJIDSGSA-N 2 2 325.460 2.097 10 0 EEAELP Cc1cc2n(n1)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C1)CN2 ZINC000058332737 463581046 /nfs/dbraw/zinc/58/10/46/463581046.db2.gz VIIKLDPLAOZBQS-QZTJIDSGSA-N 2 2 325.460 2.097 10 0 EEAELP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(O)c1 ZINC000126841604 463666018 /nfs/dbraw/zinc/66/60/18/463666018.db2.gz HNMXDEYCAUYGHT-SJPCQFCGSA-N 2 2 343.471 2.084 10 0 EEAELP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(O)c1 ZINC000126841604 463666020 /nfs/dbraw/zinc/66/60/20/463666020.db2.gz HNMXDEYCAUYGHT-SJPCQFCGSA-N 2 2 343.471 2.084 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000579540991 468371255 /nfs/dbraw/zinc/37/12/55/468371255.db2.gz ZCAXVTCAPBSRIP-MRXNPFEDSA-N 2 2 332.835 2.490 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498301 463720931 /nfs/dbraw/zinc/72/09/31/463720931.db2.gz KRHBQZWZWHEHJZ-IAGOWNOFSA-N 2 2 333.480 2.178 10 0 EEAELP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498301 463720939 /nfs/dbraw/zinc/72/09/39/463720939.db2.gz KRHBQZWZWHEHJZ-IAGOWNOFSA-N 2 2 333.480 2.178 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCS[C@H](C)C2)CC1 ZINC000171687339 463905880 /nfs/dbraw/zinc/90/58/80/463905880.db2.gz AAJXFLFIVUSJMI-QGZVFWFLSA-N 2 2 347.528 2.077 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCS[C@H](C)C2)CC1 ZINC000171687339 463905884 /nfs/dbraw/zinc/90/58/84/463905884.db2.gz AAJXFLFIVUSJMI-QGZVFWFLSA-N 2 2 347.528 2.077 10 0 EEAELP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279922 464029589 /nfs/dbraw/zinc/02/95/89/464029589.db2.gz FWOQOEUBYCZHSF-FUHWJXTLSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195279922 464029595 /nfs/dbraw/zinc/02/95/95/464029595.db2.gz FWOQOEUBYCZHSF-FUHWJXTLSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195279922 464029598 /nfs/dbraw/zinc/02/95/98/464029598.db2.gz FWOQOEUBYCZHSF-FUHWJXTLSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195279922 464029605 /nfs/dbraw/zinc/02/96/05/464029605.db2.gz FWOQOEUBYCZHSF-FUHWJXTLSA-N 2 2 332.492 2.091 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292057197 464165114 /nfs/dbraw/zinc/16/51/14/464165114.db2.gz CCNYGVONGVJUCS-RZQQEMMASA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292057197 464165122 /nfs/dbraw/zinc/16/51/22/464165122.db2.gz CCNYGVONGVJUCS-RZQQEMMASA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292057197 464165130 /nfs/dbraw/zinc/16/51/30/464165130.db2.gz CCNYGVONGVJUCS-RZQQEMMASA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292057197 464165134 /nfs/dbraw/zinc/16/51/34/464165134.db2.gz CCNYGVONGVJUCS-RZQQEMMASA-N 2 2 345.487 2.289 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCCNc2cccc[nH+]2)[C@H]1c1ccccc1 ZINC000270258734 464237237 /nfs/dbraw/zinc/23/72/37/464237237.db2.gz CPDLEBDKSONJOG-SJLPKXTDSA-N 2 2 339.443 2.238 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCCNc2cccc[nH+]2)[C@H]1c1ccccc1 ZINC000270258734 464237239 /nfs/dbraw/zinc/23/72/39/464237239.db2.gz CPDLEBDKSONJOG-SJLPKXTDSA-N 2 2 339.443 2.238 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000281124837 464340575 /nfs/dbraw/zinc/34/05/75/464340575.db2.gz IIOMAZDXIGIXLQ-PHIMTYICSA-N 2 2 336.386 2.174 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000281124837 464340577 /nfs/dbraw/zinc/34/05/77/464340577.db2.gz IIOMAZDXIGIXLQ-PHIMTYICSA-N 2 2 336.386 2.174 10 0 EEAELP [NH3+]C1(CC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000238007515 464418448 /nfs/dbraw/zinc/41/84/48/464418448.db2.gz WVBQADUJCKNZDB-CYBMUJFWSA-N 2 2 337.414 2.317 10 0 EEAELP [NH3+]C1(CC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000238007515 464418451 /nfs/dbraw/zinc/41/84/51/464418451.db2.gz WVBQADUJCKNZDB-CYBMUJFWSA-N 2 2 337.414 2.317 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000272029839 464453274 /nfs/dbraw/zinc/45/32/74/464453274.db2.gz WNKJYSXPCUDFPZ-AWEZNQCLSA-N 2 2 346.397 2.396 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000272029839 464453280 /nfs/dbraw/zinc/45/32/80/464453280.db2.gz WNKJYSXPCUDFPZ-AWEZNQCLSA-N 2 2 346.397 2.396 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246222361 464560344 /nfs/dbraw/zinc/56/03/44/464560344.db2.gz RAYXMBRRJATYKB-ROUUACIJSA-N 2 2 347.528 2.377 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246222361 464560351 /nfs/dbraw/zinc/56/03/51/464560351.db2.gz RAYXMBRRJATYKB-ROUUACIJSA-N 2 2 347.528 2.377 10 0 EEAELP COCCC[NH+]1CCC(NC(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000265714192 464657328 /nfs/dbraw/zinc/65/73/28/464657328.db2.gz MKQBRNXNAAXZLS-UHFFFAOYSA-N 2 2 345.447 2.265 10 0 EEAELP CC[N@H+](CCCNC(=O)N1CC[NH+]2CCC[C@H]2C1)c1ccccc1 ZINC000247489052 464684747 /nfs/dbraw/zinc/68/47/47/464684747.db2.gz LHKCWLHRLUUDOO-SFHVURJKSA-N 2 2 330.476 2.393 10 0 EEAELP CC[N@@H+](CCCNC(=O)N1CC[NH+]2CCC[C@H]2C1)c1ccccc1 ZINC000247489052 464684753 /nfs/dbraw/zinc/68/47/53/464684753.db2.gz LHKCWLHRLUUDOO-SFHVURJKSA-N 2 2 330.476 2.393 10 0 EEAELP CC[NH+](CCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247489052 464684758 /nfs/dbraw/zinc/68/47/58/464684758.db2.gz LHKCWLHRLUUDOO-SFHVURJKSA-N 2 2 330.476 2.393 10 0 EEAELP CC[NH+](CCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000247489052 464684763 /nfs/dbraw/zinc/68/47/63/464684763.db2.gz LHKCWLHRLUUDOO-SFHVURJKSA-N 2 2 330.476 2.393 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248641104 464777666 /nfs/dbraw/zinc/77/76/66/464777666.db2.gz CIODXHXABNHVGW-ZWKOTPCHSA-N 2 2 335.492 2.011 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248641104 464777667 /nfs/dbraw/zinc/77/76/67/464777667.db2.gz CIODXHXABNHVGW-ZWKOTPCHSA-N 2 2 335.492 2.011 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248641104 464777668 /nfs/dbraw/zinc/77/76/68/464777668.db2.gz CIODXHXABNHVGW-ZWKOTPCHSA-N 2 2 335.492 2.011 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248641104 464777670 /nfs/dbraw/zinc/77/76/70/464777670.db2.gz CIODXHXABNHVGW-ZWKOTPCHSA-N 2 2 335.492 2.011 10 0 EEAELP COc1nccnc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295540040 464874349 /nfs/dbraw/zinc/87/43/49/464874349.db2.gz XJCBYQUJBQNVHX-NVXWUHKLSA-N 2 2 326.444 2.485 10 0 EEAELP COc1nccnc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295540040 464874356 /nfs/dbraw/zinc/87/43/56/464874356.db2.gz XJCBYQUJBQNVHX-NVXWUHKLSA-N 2 2 326.444 2.485 10 0 EEAELP C[C@@H]1CC[C@@]2(CC[N@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)C1 ZINC000359561151 465455354 /nfs/dbraw/zinc/45/53/54/465455354.db2.gz QSNFTRFDBWQOSI-YLJYHZDGSA-N 2 2 345.487 2.436 10 0 EEAELP C[C@@H]1CC[C@@]2(CC[N@@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)C1 ZINC000359561151 465455361 /nfs/dbraw/zinc/45/53/61/465455361.db2.gz QSNFTRFDBWQOSI-YLJYHZDGSA-N 2 2 345.487 2.436 10 0 EEAELP CN(C)c1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000362633907 465898289 /nfs/dbraw/zinc/89/82/89/465898289.db2.gz BXIJHPOPOZZHAX-GDBMZVCRSA-N 2 2 333.386 2.678 10 0 EEAELP CN(C)c1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000362633907 465898292 /nfs/dbraw/zinc/89/82/92/465898292.db2.gz BXIJHPOPOZZHAX-GDBMZVCRSA-N 2 2 333.386 2.678 10 0 EEAELP O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)CN1 ZINC000346168513 465955686 /nfs/dbraw/zinc/95/56/86/465955686.db2.gz LHYJZRLAPYYVEJ-XJKSGUPXSA-N 2 2 330.457 2.424 10 0 EEAELP O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)CN1 ZINC000346168513 465955690 /nfs/dbraw/zinc/95/56/90/465955690.db2.gz LHYJZRLAPYYVEJ-XJKSGUPXSA-N 2 2 330.457 2.424 10 0 EEAELP c1cn(-c2csc(CN3CC[NH+](C[C@H]4CCOC4)CC3)c2)c[nH+]1 ZINC000346213662 465998420 /nfs/dbraw/zinc/99/84/20/465998420.db2.gz YOTPXDWUOUFPDL-OAHLLOKOSA-N 2 2 332.473 2.088 10 0 EEAELP COCc1cccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000353748266 466115744 /nfs/dbraw/zinc/11/57/44/466115744.db2.gz HEOOKMOLCHLLFG-UHFFFAOYSA-N 2 2 341.459 2.011 10 0 EEAELP Cc1ccc(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000349470855 466120725 /nfs/dbraw/zinc/12/07/25/466120725.db2.gz VBFLCYBBHFVMHE-UHFFFAOYSA-N 2 2 333.476 2.195 10 0 EEAELP Cc1ncc(CNc2[nH+]c3ccccc3n2CCCn2cc[nH+]c2)cn1 ZINC000361626029 466156155 /nfs/dbraw/zinc/15/61/55/466156155.db2.gz HIWKJABORDSJQL-UHFFFAOYSA-N 2 2 347.426 3.034 10 0 EEAELP CS(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000372391474 466347784 /nfs/dbraw/zinc/34/77/84/466347784.db2.gz KGWXARKEOICWGS-UHFFFAOYSA-N 2 2 336.501 2.398 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000338758254 466360103 /nfs/dbraw/zinc/36/01/03/466360103.db2.gz PARLZMZZHDVOEA-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000338758254 466360111 /nfs/dbraw/zinc/36/01/11/466360111.db2.gz PARLZMZZHDVOEA-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000601327189 468827454 /nfs/dbraw/zinc/82/74/54/468827454.db2.gz SDUJVBIUQTXXRS-PWSUYJOCSA-N 2 2 330.213 2.318 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc(I)cc2)C[C@@H]1C[NH3+] ZINC000601327189 468827457 /nfs/dbraw/zinc/82/74/57/468827457.db2.gz SDUJVBIUQTXXRS-PWSUYJOCSA-N 2 2 330.213 2.318 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@H]2CCCO2)CC1 ZINC000339004729 466562730 /nfs/dbraw/zinc/56/27/30/466562730.db2.gz FBMIXUKJUWANLF-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@H]2CCCO2)CC1 ZINC000339004729 466562735 /nfs/dbraw/zinc/56/27/35/466562735.db2.gz FBMIXUKJUWANLF-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP CO[C@H](C)C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000354452365 466578940 /nfs/dbraw/zinc/57/89/40/466578940.db2.gz MMPGASNGTIDGGH-GOSISDBHSA-N 2 2 347.503 2.076 10 0 EEAELP CO[C@H](C)C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000354452365 466578943 /nfs/dbraw/zinc/57/89/43/466578943.db2.gz MMPGASNGTIDGGH-GOSISDBHSA-N 2 2 347.503 2.076 10 0 EEAELP CC[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422803398 466684215 /nfs/dbraw/zinc/68/42/15/466684215.db2.gz FTJVLIXFQNCHPD-QHAWAJNXSA-N 2 2 343.515 2.180 10 0 EEAELP CC[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422803398 466684219 /nfs/dbraw/zinc/68/42/19/466684219.db2.gz FTJVLIXFQNCHPD-QHAWAJNXSA-N 2 2 343.515 2.180 10 0 EEAELP CC[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422803398 466684225 /nfs/dbraw/zinc/68/42/25/466684225.db2.gz FTJVLIXFQNCHPD-QHAWAJNXSA-N 2 2 343.515 2.180 10 0 EEAELP CN(C(=O)c1nc(Cl)cs1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365315343 466777001 /nfs/dbraw/zinc/77/70/01/466777001.db2.gz OLDCBBGZCKVNMU-GFCCVEGCSA-N 2 2 342.896 2.037 10 0 EEAELP CN(C(=O)c1nc(Cl)cs1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365315343 466777004 /nfs/dbraw/zinc/77/70/04/466777004.db2.gz OLDCBBGZCKVNMU-GFCCVEGCSA-N 2 2 342.896 2.037 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226316 466803739 /nfs/dbraw/zinc/80/37/39/466803739.db2.gz FVKODTYNVJPMKO-GJZGRUSLSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226316 466803743 /nfs/dbraw/zinc/80/37/43/466803743.db2.gz FVKODTYNVJPMKO-GJZGRUSLSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370226316 466803745 /nfs/dbraw/zinc/80/37/45/466803745.db2.gz FVKODTYNVJPMKO-GJZGRUSLSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423749519 466823838 /nfs/dbraw/zinc/82/38/38/466823838.db2.gz VWIJYVKNDSNWQO-VKJFTORMSA-N 2 2 333.451 2.419 10 0 EEAELP O=C1O[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC12CC2 ZINC000375696976 466865949 /nfs/dbraw/zinc/86/59/49/466865949.db2.gz KXBQPFSYVZXUSJ-GOEBONIOSA-N 2 2 329.444 2.495 10 0 EEAELP O=C1O[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC12CC2 ZINC000375696976 466865951 /nfs/dbraw/zinc/86/59/51/466865951.db2.gz KXBQPFSYVZXUSJ-GOEBONIOSA-N 2 2 329.444 2.495 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000417852197 466956261 /nfs/dbraw/zinc/95/62/61/466956261.db2.gz GVBJQEIQILAYQT-LLVKDONJSA-N 2 2 337.374 2.135 10 0 EEAELP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc1C ZINC000412148179 467026787 /nfs/dbraw/zinc/02/67/87/467026787.db2.gz UAPAWKIDMUWMMF-UHFFFAOYSA-N 2 2 344.503 2.379 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000427498078 467160725 /nfs/dbraw/zinc/16/07/25/467160725.db2.gz CEOBNNFSPGISAD-GOSISDBHSA-N 2 2 347.890 2.441 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH+]1C1CC1 ZINC000427498078 467160727 /nfs/dbraw/zinc/16/07/27/467160727.db2.gz CEOBNNFSPGISAD-GOSISDBHSA-N 2 2 347.890 2.441 10 0 EEAELP O=C(NCC[NH+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000427498078 467160732 /nfs/dbraw/zinc/16/07/32/467160732.db2.gz CEOBNNFSPGISAD-GOSISDBHSA-N 2 2 347.890 2.441 10 0 EEAELP COCC(C)(C)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000429237080 467315146 /nfs/dbraw/zinc/31/51/46/467315146.db2.gz VOFAXQYOTADMMV-KRWDZBQOSA-N 2 2 347.503 2.249 10 0 EEAELP COCC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000429237080 467315147 /nfs/dbraw/zinc/31/51/47/467315147.db2.gz VOFAXQYOTADMMV-KRWDZBQOSA-N 2 2 347.503 2.249 10 0 EEAELP CC1=C[C@@H](C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000430275881 467415297 /nfs/dbraw/zinc/41/52/97/467415297.db2.gz IQNYTKCBFJYSMX-OAHLLOKOSA-N 2 2 333.501 2.290 10 0 EEAELP CC1=C[C@@H](C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000430275881 467415301 /nfs/dbraw/zinc/41/53/01/467415301.db2.gz IQNYTKCBFJYSMX-OAHLLOKOSA-N 2 2 333.501 2.290 10 0 EEAELP CC[N@@H+]1CCO[C@H](c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)C1 ZINC000420488118 467421007 /nfs/dbraw/zinc/42/10/07/467421007.db2.gz WOARFBVQUWTVCH-HNNXBMFYSA-N 2 2 334.395 2.331 10 0 EEAELP CC[N@H+]1CCO[C@H](c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)C1 ZINC000420488118 467421009 /nfs/dbraw/zinc/42/10/09/467421009.db2.gz WOARFBVQUWTVCH-HNNXBMFYSA-N 2 2 334.395 2.331 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000391955183 467424569 /nfs/dbraw/zinc/42/45/69/467424569.db2.gz VXUUUMRVMBZXKE-FUHWJXTLSA-N 2 2 333.451 2.248 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000391955183 467424571 /nfs/dbraw/zinc/42/45/71/467424571.db2.gz VXUUUMRVMBZXKE-FUHWJXTLSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000397585590 467443412 /nfs/dbraw/zinc/44/34/12/467443412.db2.gz IWXALPVRJMBHFF-PKOBYXMFSA-N 3 2 343.515 2.228 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000397585590 467443414 /nfs/dbraw/zinc/44/34/14/467443414.db2.gz IWXALPVRJMBHFF-PKOBYXMFSA-N 3 2 343.515 2.228 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000449391837 467636246 /nfs/dbraw/zinc/63/62/46/467636246.db2.gz IMLLMFUQCHCUTO-QGZVFWFLSA-N 2 2 342.443 2.205 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000449391837 467636248 /nfs/dbraw/zinc/63/62/48/467636248.db2.gz IMLLMFUQCHCUTO-QGZVFWFLSA-N 2 2 342.443 2.205 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000449398325 467637814 /nfs/dbraw/zinc/63/78/14/467637814.db2.gz XUHOWYNACURCPI-IBGZPJMESA-N 2 2 346.450 2.007 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000449398325 467637819 /nfs/dbraw/zinc/63/78/19/467637819.db2.gz XUHOWYNACURCPI-IBGZPJMESA-N 2 2 346.450 2.007 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCCCO2 ZINC000449398691 467638426 /nfs/dbraw/zinc/63/84/26/467638426.db2.gz VYUUBCNLMAJZIC-DOTOQJQBSA-N 2 2 334.460 2.345 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCCCO2 ZINC000449398691 467638429 /nfs/dbraw/zinc/63/84/29/467638429.db2.gz VYUUBCNLMAJZIC-DOTOQJQBSA-N 2 2 334.460 2.345 10 0 EEAELP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cccc21 ZINC000517009977 468064224 /nfs/dbraw/zinc/06/42/24/468064224.db2.gz SDHRADLRBUJOGL-CJNGLKHVSA-N 2 2 340.427 2.469 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC[C@@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000569920870 468564060 /nfs/dbraw/zinc/56/40/60/468564060.db2.gz LJSGOMWFVJTUML-UYAOXDASSA-N 2 2 342.487 2.286 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC[C@@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000569920870 468564067 /nfs/dbraw/zinc/56/40/67/468564067.db2.gz LJSGOMWFVJTUML-UYAOXDASSA-N 2 2 342.487 2.286 10 0 EEAELP C[C@H]1CN(c2ccc(CNC(=O)CCCC[NH+](C)C)c[nH+]2)C[C@H](C)O1 ZINC000556935840 468600780 /nfs/dbraw/zinc/60/07/80/468600780.db2.gz FDSUUAOHWTXZDH-HOTGVXAUSA-N 2 2 348.491 2.043 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2Cc3ccccc3NC(=O)C2)cc1 ZINC000583945249 468777412 /nfs/dbraw/zinc/77/74/12/468777412.db2.gz NLBSCQMGMMGNTH-INIZCTEOSA-N 2 2 325.412 2.192 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2Cc3ccccc3NC(=O)C2)cc1 ZINC000583945249 468777416 /nfs/dbraw/zinc/77/74/16/468777416.db2.gz NLBSCQMGMMGNTH-INIZCTEOSA-N 2 2 325.412 2.192 10 0 EEAELP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000585118320 468980022 /nfs/dbraw/zinc/98/00/22/468980022.db2.gz KKAYSEQOSQXHDG-MRXNPFEDSA-N 2 2 334.439 2.194 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000572759565 468989332 /nfs/dbraw/zinc/98/93/32/468989332.db2.gz JQBPAAUQBHYTDP-RHSMWYFYSA-N 2 2 343.393 2.484 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000572759565 468989335 /nfs/dbraw/zinc/98/93/35/468989335.db2.gz JQBPAAUQBHYTDP-RHSMWYFYSA-N 2 2 343.393 2.484 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573207421 469083008 /nfs/dbraw/zinc/08/30/08/469083008.db2.gz VFCMEWLFXWTJBE-JXFKEZNVSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573207421 469083017 /nfs/dbraw/zinc/08/30/17/469083017.db2.gz VFCMEWLFXWTJBE-JXFKEZNVSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000588968757 469184670 /nfs/dbraw/zinc/18/46/70/469184670.db2.gz BBYZOGLCLQQRRB-LSDHHAIUSA-N 2 2 333.480 2.139 10 0 EEAELP C[C@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[N@H+]1CCC[C@H](C)C1 ZINC000588968757 469184675 /nfs/dbraw/zinc/18/46/75/469184675.db2.gz BBYZOGLCLQQRRB-LSDHHAIUSA-N 2 2 333.480 2.139 10 0 EEAELP [NH3+]C[C@@H]1C[N@H+](Cc2ccncc2Br)CC12CCOCC2 ZINC000629533408 469574180 /nfs/dbraw/zinc/57/41/80/469574180.db2.gz YUZHJXAQVILBEM-CYBMUJFWSA-N 2 2 340.265 2.031 10 0 EEAELP [NH3+]C[C@@H]1C[N@@H+](Cc2ccncc2Br)CC12CCOCC2 ZINC000629533408 469574183 /nfs/dbraw/zinc/57/41/83/469574183.db2.gz YUZHJXAQVILBEM-CYBMUJFWSA-N 2 2 340.265 2.031 10 0 EEAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623398286 469642719 /nfs/dbraw/zinc/64/27/19/469642719.db2.gz BHHLUJURRIDTIT-DZGCQCFKSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623398286 469642723 /nfs/dbraw/zinc/64/27/23/469642723.db2.gz BHHLUJURRIDTIT-DZGCQCFKSA-N 2 2 339.505 2.118 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000626931455 469759306 /nfs/dbraw/zinc/75/93/06/469759306.db2.gz FYTDOINAKRYWNV-GOEBONIOSA-N 2 2 331.464 2.012 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(Cc2ccccc2F)CC1 ZINC000617765226 469795390 /nfs/dbraw/zinc/79/53/90/469795390.db2.gz YAZRWPCBFNGYKG-UHFFFAOYSA-N 2 2 335.467 2.148 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(Cc2ccccc2F)CC1 ZINC000617765226 469795393 /nfs/dbraw/zinc/79/53/93/469795393.db2.gz YAZRWPCBFNGYKG-UHFFFAOYSA-N 2 2 335.467 2.148 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000608654705 469854150 /nfs/dbraw/zinc/85/41/50/469854150.db2.gz NDQLVOWUEKYVBC-DLBZAZTESA-N 2 2 341.459 2.097 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000608654705 469854153 /nfs/dbraw/zinc/85/41/53/469854153.db2.gz NDQLVOWUEKYVBC-DLBZAZTESA-N 2 2 341.459 2.097 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000627240966 469854322 /nfs/dbraw/zinc/85/43/22/469854322.db2.gz GJPLSGLFNLEOOW-OKDNKWQNSA-N 2 2 339.443 2.161 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N(C)c1nc2ccccc2n2c[nH+]cc12 ZINC000624168091 469862569 /nfs/dbraw/zinc/86/25/69/469862569.db2.gz XEKYTAVOIQVLRG-CQSZACIVSA-N 2 2 325.416 2.039 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC000624427965 469936152 /nfs/dbraw/zinc/93/61/52/469936152.db2.gz ROAJKVBXRSOJRI-RDJZCZTQSA-N 2 2 344.434 2.312 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000624547626 469974320 /nfs/dbraw/zinc/97/43/20/469974320.db2.gz PBEGJGUFKRYNFJ-GDBMZVCRSA-N 2 2 332.492 2.381 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000624547626 469974324 /nfs/dbraw/zinc/97/43/24/469974324.db2.gz PBEGJGUFKRYNFJ-GDBMZVCRSA-N 2 2 332.492 2.381 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccc(Cl)c(F)c1 ZINC000628062345 470049997 /nfs/dbraw/zinc/04/99/97/470049997.db2.gz COKKZTGESYAOHD-UHFFFAOYSA-N 2 2 343.874 2.411 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccc(Cl)c(F)c1 ZINC000628062345 470049998 /nfs/dbraw/zinc/04/99/98/470049998.db2.gz COKKZTGESYAOHD-UHFFFAOYSA-N 2 2 343.874 2.411 10 0 EEAELP CCC[C@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000631194527 470089893 /nfs/dbraw/zinc/08/98/93/470089893.db2.gz LWNGVLLFAXOOAT-INIZCTEOSA-N 2 2 326.448 2.253 10 0 EEAELP CCC[C@H]1CN(c2nc(C)[nH+]c(N)n2)CC[N@H+]1Cc1ccccc1 ZINC000631194527 470089895 /nfs/dbraw/zinc/08/98/95/470089895.db2.gz LWNGVLLFAXOOAT-INIZCTEOSA-N 2 2 326.448 2.253 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631224418 470097395 /nfs/dbraw/zinc/09/73/95/470097395.db2.gz WEEBIUXHJVJNNI-SFHVURJKSA-N 2 2 326.444 2.405 10 0 EEAELP CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631224418 470097399 /nfs/dbraw/zinc/09/73/99/470097399.db2.gz WEEBIUXHJVJNNI-SFHVURJKSA-N 2 2 326.444 2.405 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cscc3Cl)C2)CC1 ZINC000631259380 470104466 /nfs/dbraw/zinc/10/44/66/470104466.db2.gz RMRCQSBIYHPNPU-NSHDSACASA-N 2 2 327.881 2.300 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cscc3Cl)C2)CC1 ZINC000631259380 470104468 /nfs/dbraw/zinc/10/44/68/470104468.db2.gz RMRCQSBIYHPNPU-NSHDSACASA-N 2 2 327.881 2.300 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625250910 470105203 /nfs/dbraw/zinc/10/52/03/470105203.db2.gz AFFAGHUGJBJPLO-LBPRGKRZSA-N 2 2 332.370 2.390 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625250910 470105206 /nfs/dbraw/zinc/10/52/06/470105206.db2.gz AFFAGHUGJBJPLO-LBPRGKRZSA-N 2 2 332.370 2.390 10 0 EEAELP c1cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)n(-c2cc[nH+]cc2)n1 ZINC000628453269 470107099 /nfs/dbraw/zinc/10/70/99/470107099.db2.gz QUDBNSGSZYFGPR-UHFFFAOYSA-N 2 2 332.411 2.493 10 0 EEAELP c1cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)n(-c2cc[nH+]cc2)n1 ZINC000628453269 470107103 /nfs/dbraw/zinc/10/71/03/470107103.db2.gz QUDBNSGSZYFGPR-UHFFFAOYSA-N 2 2 332.411 2.493 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000625500801 470156681 /nfs/dbraw/zinc/15/66/81/470156681.db2.gz BWGSBSCIADCIDL-GXTWGEPZSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000625500801 470156683 /nfs/dbraw/zinc/15/66/83/470156683.db2.gz BWGSBSCIADCIDL-GXTWGEPZSA-N 2 2 335.414 2.202 10 0 EEAELP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCc2sccc2C1 ZINC000631885895 470189335 /nfs/dbraw/zinc/18/93/35/470189335.db2.gz CKIVUEIJODTHHE-GOEBONIOSA-N 2 2 333.501 2.097 10 0 EEAELP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N1CCc2sccc2C1 ZINC000631885895 470189336 /nfs/dbraw/zinc/18/93/36/470189336.db2.gz CKIVUEIJODTHHE-GOEBONIOSA-N 2 2 333.501 2.097 10 0 EEAELP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649183 470274787 /nfs/dbraw/zinc/27/47/87/470274787.db2.gz ILAOJWSLVKGVGL-ICSRJNTNSA-N 2 2 331.504 2.086 10 0 EEAELP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649183 470274789 /nfs/dbraw/zinc/27/47/89/470274789.db2.gz ILAOJWSLVKGVGL-ICSRJNTNSA-N 2 2 331.504 2.086 10 0 EEAELP C[C@@H](CC1CCC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000632978893 470305912 /nfs/dbraw/zinc/30/59/12/470305912.db2.gz JSPCKRMJECXRJS-HNNXBMFYSA-N 2 2 336.524 2.423 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000648828487 470361512 /nfs/dbraw/zinc/36/15/12/470361512.db2.gz FZKKXJQNJJYIDU-IXDOHACOSA-N 2 2 348.491 2.156 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[N@@H+]1C ZINC000648892231 470385081 /nfs/dbraw/zinc/38/50/81/470385081.db2.gz XLIKDNPEDKGIMM-HLLBOEOZSA-N 2 2 330.476 2.266 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[N@H+]1C ZINC000648892231 470385083 /nfs/dbraw/zinc/38/50/83/470385083.db2.gz XLIKDNPEDKGIMM-HLLBOEOZSA-N 2 2 330.476 2.266 10 0 EEAELP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000645964243 470476500 /nfs/dbraw/zinc/47/65/00/470476500.db2.gz WLWAVAIRIAYCMI-BLLLJJGKSA-N 2 2 337.414 2.043 10 0 EEAELP CC1(C)C[NH2+][C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000645964243 470476503 /nfs/dbraw/zinc/47/65/03/470476503.db2.gz WLWAVAIRIAYCMI-BLLLJJGKSA-N 2 2 337.414 2.043 10 0 EEAELP CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000633617403 470532452 /nfs/dbraw/zinc/53/24/52/470532452.db2.gz GLKKJKOGIKOZHD-GOSISDBHSA-N 2 2 326.444 2.358 10 0 EEAELP CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000633617403 470532458 /nfs/dbraw/zinc/53/24/58/470532458.db2.gz GLKKJKOGIKOZHD-GOSISDBHSA-N 2 2 326.444 2.358 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC4(CCC4)[C@H]3C3CC3)C2)CC1 ZINC000642399025 470549903 /nfs/dbraw/zinc/54/99/03/470549903.db2.gz MVXCRBYJPKPVFU-SJLPKXTDSA-N 2 2 346.519 2.129 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC4(CCC4)[C@H]3C3CC3)C2)CC1 ZINC000642399025 470549909 /nfs/dbraw/zinc/54/99/09/470549909.db2.gz MVXCRBYJPKPVFU-SJLPKXTDSA-N 2 2 346.519 2.129 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](O)CC34CCC4)c2cc1C ZINC000643255940 470641918 /nfs/dbraw/zinc/64/19/18/470641918.db2.gz ZRRZQNNDGGFRRW-SJORKVTESA-N 2 2 343.471 2.393 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](O)CC34CCC4)c2cc1C ZINC000643255940 470641921 /nfs/dbraw/zinc/64/19/21/470641921.db2.gz ZRRZQNNDGGFRRW-SJORKVTESA-N 2 2 343.471 2.393 10 0 EEAELP O=C(C[N@H+]1CC[C@@]2(CC2(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649901963 470738198 /nfs/dbraw/zinc/73/81/98/470738198.db2.gz TUYWRHUPONTYKN-GOSISDBHSA-N 2 2 349.425 2.062 10 0 EEAELP O=C(C[N@@H+]1CC[C@@]2(CC2(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649901963 470738203 /nfs/dbraw/zinc/73/82/03/470738203.db2.gz TUYWRHUPONTYKN-GOSISDBHSA-N 2 2 349.425 2.062 10 0 EEAELP O=S1(=O)CC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647169397 470847542 /nfs/dbraw/zinc/84/75/42/470847542.db2.gz LPQRQFANZUYQFX-ZWKOTPCHSA-N 2 2 348.512 2.208 10 0 EEAELP O=S1(=O)CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647169397 470847545 /nfs/dbraw/zinc/84/75/45/470847545.db2.gz LPQRQFANZUYQFX-ZWKOTPCHSA-N 2 2 348.512 2.208 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCF ZINC000647209123 470858640 /nfs/dbraw/zinc/85/86/40/470858640.db2.gz UXFJRHVQLZATFB-DOTOQJQBSA-N 2 2 333.451 2.247 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCF ZINC000647209123 470858643 /nfs/dbraw/zinc/85/86/43/470858643.db2.gz UXFJRHVQLZATFB-DOTOQJQBSA-N 2 2 333.451 2.247 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901856 471012301 /nfs/dbraw/zinc/01/23/01/471012301.db2.gz WQDAJWWRPXMAPG-MOPGFXCFSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901856 471012305 /nfs/dbraw/zinc/01/23/05/471012305.db2.gz WQDAJWWRPXMAPG-MOPGFXCFSA-N 2 2 329.488 2.118 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648211453 471125903 /nfs/dbraw/zinc/12/59/03/471125903.db2.gz RNHIVNXZAXVREN-MRXNPFEDSA-N 2 2 326.444 2.390 10 0 EEAELP CC[C@H]1C[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CO1 ZINC000657408107 471129323 /nfs/dbraw/zinc/12/93/23/471129323.db2.gz DPVUKSKQRNILFD-CVEARBPZSA-N 2 2 344.459 2.417 10 0 EEAELP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596968 471179430 /nfs/dbraw/zinc/17/94/30/471179430.db2.gz PTTONCFCOMJBSC-IBGZPJMESA-N 3 2 340.471 2.004 10 0 EEAELP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596968 471179433 /nfs/dbraw/zinc/17/94/33/471179433.db2.gz PTTONCFCOMJBSC-IBGZPJMESA-N 3 2 340.471 2.004 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)NCCC3(C[NH3+])CC3)c[nH+]2)CC1 ZINC000652126026 471240231 /nfs/dbraw/zinc/24/02/31/471240231.db2.gz QGLMFPDWGRPZBH-UHFFFAOYSA-N 2 2 345.491 2.246 10 0 EEAELP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000655153556 471273587 /nfs/dbraw/zinc/27/35/87/471273587.db2.gz CMDOWGVMGMJEHP-GOSISDBHSA-N 2 2 335.411 2.010 10 0 EEAELP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000655153556 471273590 /nfs/dbraw/zinc/27/35/90/471273590.db2.gz CMDOWGVMGMJEHP-GOSISDBHSA-N 2 2 335.411 2.010 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nccc(OC)c2F)[C@@H](C)C1 ZINC000658228389 471277290 /nfs/dbraw/zinc/27/72/90/471277290.db2.gz QOFWIXYFVVMGRQ-LSDHHAIUSA-N 2 2 339.455 2.456 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nccc(OC)c2F)[C@@H](C)C1 ZINC000658228389 471277293 /nfs/dbraw/zinc/27/72/93/471277293.db2.gz QOFWIXYFVVMGRQ-LSDHHAIUSA-N 2 2 339.455 2.456 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658340550 471290439 /nfs/dbraw/zinc/29/04/39/471290439.db2.gz CIVDGBFOLGXUHM-RBUKOAKNSA-N 2 2 329.488 2.104 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658340550 471290441 /nfs/dbraw/zinc/29/04/41/471290441.db2.gz CIVDGBFOLGXUHM-RBUKOAKNSA-N 2 2 329.488 2.104 10 0 EEAELP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372308 471344628 /nfs/dbraw/zinc/34/46/28/471344628.db2.gz IWZJLAACMFEDFC-UXHICEINSA-N 2 2 333.520 2.189 10 0 EEAELP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372308 471344633 /nfs/dbraw/zinc/34/46/33/471344633.db2.gz IWZJLAACMFEDFC-UXHICEINSA-N 2 2 333.520 2.189 10 0 EEAELP CCN(C(=O)NCCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@H+](CC)C1 ZINC000663548936 471421245 /nfs/dbraw/zinc/42/12/45/471421245.db2.gz WAODVDONBMSTIV-MRXNPFEDSA-N 2 2 329.448 2.003 10 0 EEAELP CCN(C(=O)NCCc1cn2ccccc2[nH+]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663548936 471421252 /nfs/dbraw/zinc/42/12/52/471421252.db2.gz WAODVDONBMSTIV-MRXNPFEDSA-N 2 2 329.448 2.003 10 0 EEAELP Cc1c(Cl)cncc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000667160546 471675657 /nfs/dbraw/zinc/67/56/57/471675657.db2.gz CEXXDDMFISFTEW-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP Cc1c(Cl)cncc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000667160546 471675658 /nfs/dbraw/zinc/67/56/58/471675658.db2.gz CEXXDDMFISFTEW-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1[nH+]ccn1C ZINC000667257353 471712762 /nfs/dbraw/zinc/71/27/62/471712762.db2.gz JJPLYSHLUGIUDK-GDBMZVCRSA-N 2 2 327.432 2.179 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1[nH+]ccn1C ZINC000667257353 471712765 /nfs/dbraw/zinc/71/27/65/471712765.db2.gz JJPLYSHLUGIUDK-GDBMZVCRSA-N 2 2 327.432 2.179 10 0 EEAELP CC(=O)c1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C ZINC000667299563 471727959 /nfs/dbraw/zinc/72/79/59/471727959.db2.gz SWPWHCLZVUBLCB-UHFFFAOYSA-N 2 2 334.464 2.203 10 0 EEAELP CC(=O)c1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C ZINC000667299563 471727962 /nfs/dbraw/zinc/72/79/62/471727962.db2.gz SWPWHCLZVUBLCB-UHFFFAOYSA-N 2 2 334.464 2.203 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000664675272 471831447 /nfs/dbraw/zinc/83/14/47/471831447.db2.gz KXQFWTUFMLQQLZ-UHFFFAOYSA-N 2 2 342.434 2.307 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(C(F)F)cc1 ZINC000664675272 471831453 /nfs/dbraw/zinc/83/14/53/471831453.db2.gz KXQFWTUFMLQQLZ-UHFFFAOYSA-N 2 2 342.434 2.307 10 0 EEAELP Cc1cccc2c1OCC[C@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664737315 471848455 /nfs/dbraw/zinc/84/84/55/471848455.db2.gz MQQYNGNRXREHRD-QGZVFWFLSA-N 2 2 348.491 2.001 10 0 EEAELP Cc1cccc2c1OCC[C@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664737315 471848458 /nfs/dbraw/zinc/84/84/58/471848458.db2.gz MQQYNGNRXREHRD-QGZVFWFLSA-N 2 2 348.491 2.001 10 0 EEAELP Cc1ccc2cc(C[NH+]3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC3)[nH]c2c1 ZINC000667685276 471866940 /nfs/dbraw/zinc/86/69/40/471866940.db2.gz WOIXWUSMSCRHNX-LJQANCHMSA-N 2 2 340.471 2.215 10 0 EEAELP Cc1ccc2cc(C[NH+]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)[nH]c2c1 ZINC000667685276 471866947 /nfs/dbraw/zinc/86/69/47/471866947.db2.gz WOIXWUSMSCRHNX-LJQANCHMSA-N 2 2 340.471 2.215 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000667706900 471874464 /nfs/dbraw/zinc/87/44/64/471874464.db2.gz KTCBDLVFHODFJC-SZVBFZGTSA-N 2 2 332.492 2.371 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000667706900 471874466 /nfs/dbraw/zinc/87/44/66/471874466.db2.gz KTCBDLVFHODFJC-SZVBFZGTSA-N 2 2 332.492 2.371 10 0 EEAELP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000665292314 471992737 /nfs/dbraw/zinc/99/27/37/471992737.db2.gz YONDKKSSARDDLT-CYBMUJFWSA-N 2 2 334.807 2.298 10 0 EEAELP COc1ccccc1-c1cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)on1 ZINC000665298886 471994554 /nfs/dbraw/zinc/99/45/54/471994554.db2.gz BUSHIQZVPCTNAI-KGLIPLIRSA-N 2 2 331.416 2.207 10 0 EEAELP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000662318594 472067747 /nfs/dbraw/zinc/06/77/47/472067747.db2.gz CGNCTJYQYQIKOX-DLBZAZTESA-N 2 2 327.513 2.063 10 0 EEAELP CC(C)N(C(=O)[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000662318594 472067752 /nfs/dbraw/zinc/06/77/52/472067752.db2.gz CGNCTJYQYQIKOX-DLBZAZTESA-N 2 2 327.513 2.063 10 0 EEAELP OC[C@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCCN(Cc2ccccc2)C1 ZINC000666120490 472310124 /nfs/dbraw/zinc/31/01/24/472310124.db2.gz KZZNKRFXHSETCE-NRFANRHFSA-N 2 2 343.515 2.230 10 0 EEAELP C[C@@H]1CC2(CCC2)CN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683355405 485493009 /nfs/dbraw/zinc/49/30/09/485493009.db2.gz WKKFQKCXSSNYLQ-CVEARBPZSA-N 2 2 334.508 2.129 10 0 EEAELP C[C@@H]1CC2(CCC2)CN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683355405 485493014 /nfs/dbraw/zinc/49/30/14/485493014.db2.gz WKKFQKCXSSNYLQ-CVEARBPZSA-N 2 2 334.508 2.129 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc3cnccc3c2)CC1 ZINC000683830415 485654150 /nfs/dbraw/zinc/65/41/50/485654150.db2.gz VIBMJKGDRGXBGQ-UHFFFAOYSA-N 2 2 340.471 2.221 10 0 EEAELP CC(C)n1ncnc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000631066233 485763344 /nfs/dbraw/zinc/76/33/44/485763344.db2.gz USHYKJPIBLWQNU-UHFFFAOYSA-N 2 2 343.475 2.106 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000680088184 485885174 /nfs/dbraw/zinc/88/51/74/485885174.db2.gz CMQUAXFHPZCMJV-PMACEKPBSA-N 2 2 332.488 2.228 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000680088184 485885181 /nfs/dbraw/zinc/88/51/81/485885181.db2.gz CMQUAXFHPZCMJV-PMACEKPBSA-N 2 2 332.488 2.228 10 0 EEAELP Cn1nccc1C1=CC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000671699897 485977419 /nfs/dbraw/zinc/97/74/19/485977419.db2.gz DYDBYJPARQKEEG-IBGZPJMESA-N 2 2 340.471 2.002 10 0 EEAELP Cn1nccc1C1=CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000671699897 485977427 /nfs/dbraw/zinc/97/74/27/485977427.db2.gz DYDBYJPARQKEEG-IBGZPJMESA-N 2 2 340.471 2.002 10 0 EEAELP Cn1nccc1C1=CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000671699897 485977434 /nfs/dbraw/zinc/97/74/34/485977434.db2.gz DYDBYJPARQKEEG-IBGZPJMESA-N 2 2 340.471 2.002 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnnn3C(C)(C)C)C2)[nH+]1 ZINC000680985816 486106824 /nfs/dbraw/zinc/10/68/24/486106824.db2.gz DFEICMVRRJOSKY-AWEZNQCLSA-N 2 2 329.452 2.066 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnnn3C(C)(C)C)C2)[nH+]1 ZINC000680985816 486106827 /nfs/dbraw/zinc/10/68/27/486106827.db2.gz DFEICMVRRJOSKY-AWEZNQCLSA-N 2 2 329.452 2.066 10 0 EEAELP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000685446871 486121908 /nfs/dbraw/zinc/12/19/08/486121908.db2.gz VDOVIAJQGJFEGQ-OAHLLOKOSA-N 2 2 328.403 2.483 10 0 EEAELP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000685446871 486121914 /nfs/dbraw/zinc/12/19/14/486121914.db2.gz VDOVIAJQGJFEGQ-OAHLLOKOSA-N 2 2 328.403 2.483 10 0 EEAELP CC(=O)C(C)(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000676527885 486250542 /nfs/dbraw/zinc/25/05/42/486250542.db2.gz OVSYHXQAPWMGFN-QGZVFWFLSA-N 2 2 337.508 2.009 10 0 EEAELP CC(=O)C(C)(C)CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000676527885 486250546 /nfs/dbraw/zinc/25/05/46/486250546.db2.gz OVSYHXQAPWMGFN-QGZVFWFLSA-N 2 2 337.508 2.009 10 0 EEAELP CC(C)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438496607 535198182 /nfs/dbraw/zinc/19/81/82/535198182.db2.gz UTKKPAKEIBBYHV-IBGZPJMESA-N 2 2 329.488 2.309 10 0 EEAELP CC(C)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438496607 535198185 /nfs/dbraw/zinc/19/81/85/535198185.db2.gz UTKKPAKEIBBYHV-IBGZPJMESA-N 2 2 329.488 2.309 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000422018035 535464998 /nfs/dbraw/zinc/46/49/98/535464998.db2.gz JRGPXFGCOGXUIH-BWTSREIZSA-N 2 2 333.520 2.441 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H]3[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000422018035 535465003 /nfs/dbraw/zinc/46/50/03/535465003.db2.gz JRGPXFGCOGXUIH-BWTSREIZSA-N 2 2 333.520 2.441 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOCC[C@H]2C)CC1 ZINC000775568037 577439688 /nfs/dbraw/zinc/43/96/88/577439688.db2.gz PLOIHDGIQANWJX-MSOLQXFVSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOCC[C@H]2C)CC1 ZINC000775568037 577439689 /nfs/dbraw/zinc/43/96/89/577439689.db2.gz PLOIHDGIQANWJX-MSOLQXFVSA-N 2 2 345.487 2.003 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cncc3ccccc32)CC1 ZINC000769316630 577574881 /nfs/dbraw/zinc/57/48/81/577574881.db2.gz LWDIMLBPQBTGRF-UHFFFAOYSA-N 2 2 340.471 2.221 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000756131115 577839073 /nfs/dbraw/zinc/83/90/73/577839073.db2.gz HXWUDGGPLNMPBT-QPSCCSFWSA-N 2 2 341.496 2.287 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000756131115 577839074 /nfs/dbraw/zinc/83/90/74/577839074.db2.gz HXWUDGGPLNMPBT-QPSCCSFWSA-N 2 2 341.496 2.287 10 0 EEAELP C[N@H+](Cc1ccc(Br)nc1N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459968 683758470 /nfs/dbraw/zinc/75/84/70/683758470.db2.gz JMOVQZHIBIVGQH-FUNVUKJBSA-N 2 2 339.281 2.483 10 0 EEAELP C[N@@H+](Cc1ccc(Br)nc1N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930459968 683758476 /nfs/dbraw/zinc/75/84/76/683758476.db2.gz JMOVQZHIBIVGQH-FUNVUKJBSA-N 2 2 339.281 2.483 10 0 EEAELP C[NH+](Cc1ccc(Br)nc1N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930459968 683758480 /nfs/dbraw/zinc/75/84/80/683758480.db2.gz JMOVQZHIBIVGQH-FUNVUKJBSA-N 2 2 339.281 2.483 10 0 EEAELP C[NH+](Cc1ccc(Br)nc1N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930459968 683758483 /nfs/dbraw/zinc/75/84/83/683758483.db2.gz JMOVQZHIBIVGQH-FUNVUKJBSA-N 2 2 339.281 2.483 10 0 EEAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1N=NC(=O)N1C ZINC000895175866 684217171 /nfs/dbraw/zinc/21/71/71/684217171.db2.gz OQVPEYDHBSJJKP-OFQRWUPVSA-N 2 2 329.448 2.082 10 0 EEAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1N=NC(=O)N1C ZINC000895175866 684217174 /nfs/dbraw/zinc/21/71/74/684217174.db2.gz OQVPEYDHBSJJKP-OFQRWUPVSA-N 2 2 329.448 2.082 10 0 EEAELP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC([NH+]2CCCC2)C1 ZINC000898608877 693393534 /nfs/dbraw/zinc/39/35/34/693393534.db2.gz IWDOEEFNOUJAKV-GOSISDBHSA-N 2 2 331.435 2.097 10 0 EEAELP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC([NH+]2CCCC2)C1 ZINC000898608877 693393538 /nfs/dbraw/zinc/39/35/38/693393538.db2.gz IWDOEEFNOUJAKV-GOSISDBHSA-N 2 2 331.435 2.097 10 0 EEAELP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001485534046 1191830335 /nfs/dbraw/zinc/83/03/35/1191830335.db2.gz XVZNNRXVEGTXFO-WFASDCNBSA-N 2 2 338.883 2.012 10 0 EEAELP CCOCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485568996 1191838320 /nfs/dbraw/zinc/83/83/20/1191838320.db2.gz DLAIVLSNBMDGJE-MRXNPFEDSA-N 2 2 330.432 2.040 10 0 EEAELP CCOCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485568996 1191838321 /nfs/dbraw/zinc/83/83/21/1191838321.db2.gz DLAIVLSNBMDGJE-MRXNPFEDSA-N 2 2 330.432 2.040 10 0 EEAELP Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)cs1 ZINC001485604718 1191857777 /nfs/dbraw/zinc/85/77/77/1191857777.db2.gz XRERZICMHIZNIP-OSYLJGHBSA-N 2 2 344.484 2.206 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCc4c[nH]c[nH+]4)[C@@H]3C2)cs1 ZINC001485604718 1191857779 /nfs/dbraw/zinc/85/77/79/1191857779.db2.gz XRERZICMHIZNIP-OSYLJGHBSA-N 2 2 344.484 2.206 10 0 EEAELP Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)cs1 ZINC001485604718 1191857781 /nfs/dbraw/zinc/85/77/81/1191857781.db2.gz XRERZICMHIZNIP-OSYLJGHBSA-N 2 2 344.484 2.206 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCc4c[nH+]c[nH]4)[C@@H]3C2)cs1 ZINC001485604718 1191857783 /nfs/dbraw/zinc/85/77/83/1191857783.db2.gz XRERZICMHIZNIP-OSYLJGHBSA-N 2 2 344.484 2.206 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001485622114 1191866119 /nfs/dbraw/zinc/86/61/19/1191866119.db2.gz DHYJHIPYDAKONP-AXUOBQJMSA-N 2 2 338.455 2.018 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001485622114 1191866120 /nfs/dbraw/zinc/86/61/20/1191866120.db2.gz DHYJHIPYDAKONP-AXUOBQJMSA-N 2 2 338.455 2.018 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001485697935 1191904183 /nfs/dbraw/zinc/90/41/83/1191904183.db2.gz ZHCKHKIKJBZVQO-HAQNSBGRSA-N 2 2 332.370 2.169 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266661991 1177081571 /nfs/dbraw/zinc/08/15/71/1177081571.db2.gz BQXBECOQEVPHFC-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266661991 1177081578 /nfs/dbraw/zinc/08/15/78/1177081578.db2.gz BQXBECOQEVPHFC-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP CO[C@H](C[N@H+](C)CCNC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001480889121 1177338259 /nfs/dbraw/zinc/33/82/59/1177338259.db2.gz GZKNGZBYUYJULM-QGZVFWFLSA-N 2 2 344.459 2.201 10 0 EEAELP CO[C@H](C[N@@H+](C)CCNC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001480889121 1177338264 /nfs/dbraw/zinc/33/82/64/1177338264.db2.gz GZKNGZBYUYJULM-QGZVFWFLSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001266776978 1177408139 /nfs/dbraw/zinc/40/81/39/1177408139.db2.gz PVDIVNXWWGFKFD-AWEZNQCLSA-N 2 2 341.415 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/nfs/dbraw/zinc/66/15/62/1190661562.db2.gz PMDNPNHFAZTAPB-KRWDZBQOSA-N 2 2 348.491 2.410 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ccon1)[NH+]1CCCC1 ZINC001409829825 1190661565 /nfs/dbraw/zinc/66/15/65/1190661565.db2.gz PMDNPNHFAZTAPB-KRWDZBQOSA-N 2 2 348.491 2.410 10 0 EEAELP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1C[NH+](CC[C@H]2CCCO2)C1 ZINC001483892579 1191111885 /nfs/dbraw/zinc/11/18/85/1191111885.db2.gz NBRAHCWCLLLKSG-RTBURBONSA-N 2 2 345.487 2.001 10 0 EEAELP C[C@H](CC(=O)N[C@@]1(C)CC[N@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001484061903 1191188217 /nfs/dbraw/zinc/18/82/17/1191188217.db2.gz YIJIKGHOUNAJDY-QAPCUYQASA-N 2 2 327.432 2.010 10 0 EEAELP C[C@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001484061903 1191188220 /nfs/dbraw/zinc/18/82/20/1191188220.db2.gz YIJIKGHOUNAJDY-QAPCUYQASA-N 2 2 327.432 2.010 10 0 EEAELP Cc1cncc(C[NH+]2CCC(C)(CNC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001484147025 1191235625 /nfs/dbraw/zinc/23/56/25/1191235625.db2.gz NSAWGYCCRMLBLT-UHFFFAOYSA-N 2 2 341.459 2.005 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCO[C@@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001484684202 1191470337 /nfs/dbraw/zinc/47/03/37/1191470337.db2.gz NCTQVAMYAHNIGZ-KRWDZBQOSA-N 2 2 331.460 2.238 10 0 EEAELP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CC1CCOCC1 ZINC001485162893 1191675002 /nfs/dbraw/zinc/67/50/02/1191675002.db2.gz MQXZCAKWOUJJTA-STQMWFEESA-N 2 2 330.432 2.086 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1ccccc1F)C(=O)Cn1cc[nH+]c1 ZINC001485265872 1191711091 /nfs/dbraw/zinc/71/10/91/1191711091.db2.gz NXGNMZMWHZISFI-UHFFFAOYSA-N 2 2 332.423 2.297 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)Cc1cnc(Cl)s1 ZINC001485306511 1191736510 /nfs/dbraw/zinc/73/65/10/1191736510.db2.gz LLGMVPCFZROLNM-NQBHXWOUSA-N 2 2 344.912 2.073 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)Cc1cnc(Cl)s1 ZINC001485306511 1191736512 /nfs/dbraw/zinc/73/65/12/1191736512.db2.gz LLGMVPCFZROLNM-NQBHXWOUSA-N 2 2 344.912 2.073 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)Cc1cnc(Cl)s1 ZINC001485306511 1191736514 /nfs/dbraw/zinc/73/65/14/1191736514.db2.gz LLGMVPCFZROLNM-NQBHXWOUSA-N 2 2 344.912 2.073 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001485306511 1191736517 /nfs/dbraw/zinc/73/65/17/1191736517.db2.gz LLGMVPCFZROLNM-NQBHXWOUSA-N 2 2 344.912 2.073 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1cc(F)ccc1F ZINC001485388146 1191774871 /nfs/dbraw/zinc/77/48/71/1191774871.db2.gz LAMWEZDNHPBLMH-CYBMUJFWSA-N 2 2 327.419 2.242 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1cc(F)ccc1F ZINC001485388146 1191774873 /nfs/dbraw/zinc/77/48/73/1191774873.db2.gz LAMWEZDNHPBLMH-CYBMUJFWSA-N 2 2 327.419 2.242 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1F ZINC001485388146 1191774875 /nfs/dbraw/zinc/77/48/75/1191774875.db2.gz LAMWEZDNHPBLMH-CYBMUJFWSA-N 2 2 327.419 2.242 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1F ZINC001485388146 1191774876 /nfs/dbraw/zinc/77/48/76/1191774876.db2.gz LAMWEZDNHPBLMH-CYBMUJFWSA-N 2 2 327.419 2.242 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)on1 ZINC001485389791 1191776042 /nfs/dbraw/zinc/77/60/42/1191776042.db2.gz VSCRUAGIFVDCPG-RDJZCZTQSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)on1 ZINC001485389791 1191776044 /nfs/dbraw/zinc/77/60/44/1191776044.db2.gz VSCRUAGIFVDCPG-RDJZCZTQSA-N 2 2 336.480 2.040 10 0 EEAELP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cccc(F)c1F ZINC001486180509 1193717591 /nfs/dbraw/zinc/71/75/91/1193717591.db2.gz NGTLBOFNPRDALR-CZUORRHYSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cccc(F)c1F ZINC001486180509 1193717592 /nfs/dbraw/zinc/71/75/92/1193717592.db2.gz NGTLBOFNPRDALR-CZUORRHYSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cccc(F)c1F ZINC001486180507 1193717683 /nfs/dbraw/zinc/71/76/83/1193717683.db2.gz NGTLBOFNPRDALR-BBRMVZONSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cccc(F)c1F ZINC001486180507 1193717685 /nfs/dbraw/zinc/71/76/85/1193717685.db2.gz NGTLBOFNPRDALR-BBRMVZONSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1nccs1 ZINC001486183046 1193721582 /nfs/dbraw/zinc/72/15/82/1193721582.db2.gz COYFSMRVQMXEPE-CABCVRRESA-N 2 2 338.521 2.344 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@H+]1Cc1nccs1 ZINC001486183046 1193721585 /nfs/dbraw/zinc/72/15/85/1193721585.db2.gz COYFSMRVQMXEPE-CABCVRRESA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001486413002 1193922298 /nfs/dbraw/zinc/92/22/98/1193922298.db2.gz YBXDAFNWBPKUHN-IAGOWNOFSA-N 2 2 339.524 2.159 10 0 EEAELP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001486413002 1193922302 /nfs/dbraw/zinc/92/23/02/1193922302.db2.gz YBXDAFNWBPKUHN-IAGOWNOFSA-N 2 2 339.524 2.159 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCc1cccs1)NC(=O)Cn1cc[nH+]c1 ZINC001486423169 1193936997 /nfs/dbraw/zinc/93/69/97/1193936997.db2.gz PRYKOVSUCAQZSX-HNNXBMFYSA-N 2 2 334.489 2.308 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273045156 1194349660 /nfs/dbraw/zinc/34/96/60/1194349660.db2.gz QKLASEIXIKIHKO-ZDUSSCGKSA-N 2 2 325.416 2.118 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001273151205 1197077468 /nfs/dbraw/zinc/07/74/68/1197077468.db2.gz PQBVEBFZALAFGN-JTQLQIEISA-N 2 2 335.477 2.019 10 0 EEAELP Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4c[nH]c[nH+]4)[C@@H]3C2)c(C)c1 ZINC001410123568 1197556959 /nfs/dbraw/zinc/55/69/59/1197556959.db2.gz YIINRJDBAIXCDW-LDLYASANSA-N 2 2 338.455 2.063 10 0 EEAELP Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4c[nH]c[nH+]4)[C@@H]3C2)c(C)c1 ZINC001410123568 1197556962 /nfs/dbraw/zinc/55/69/62/1197556962.db2.gz YIINRJDBAIXCDW-LDLYASANSA-N 2 2 338.455 2.063 10 0 EEAELP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000872020545 1198027780 /nfs/dbraw/zinc/02/77/80/1198027780.db2.gz IDBSNYDTXAJXOW-ZCNNSNEGSA-N 2 2 332.488 2.200 10 0 EEAELP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000872020545 1198027788 /nfs/dbraw/zinc/02/77/88/1198027788.db2.gz IDBSNYDTXAJXOW-ZCNNSNEGSA-N 2 2 332.488 2.200 10 0 EEAELP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865495384 1198246721 /nfs/dbraw/zinc/24/67/21/1198246721.db2.gz LJIJFAHNMSPTID-CABCVRRESA-N 2 2 327.831 2.342 10 0 EEAELP Cc1ncccc1/C=C\C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870665401 1200800683 /nfs/dbraw/zinc/80/06/83/1200800683.db2.gz SPVICKFJJWWLAP-WAYWQWQTSA-N 2 2 337.427 2.189 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702475 1201584354 /nfs/dbraw/zinc/58/43/54/1201584354.db2.gz BTPNREOHNXLHGM-IBGZPJMESA-N 2 2 349.475 2.339 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702475 1201584356 /nfs/dbraw/zinc/58/43/56/1201584356.db2.gz BTPNREOHNXLHGM-IBGZPJMESA-N 2 2 349.475 2.339 10 0 EEAELP CC(C)(C)OCCC[NH+]1CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC000882330484 1201852741 /nfs/dbraw/zinc/85/27/41/1201852741.db2.gz REBPVUVOHNGNNJ-UHFFFAOYSA-N 2 2 336.480 2.013 10 0 EEAELP CCOCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275766521 1205518077 /nfs/dbraw/zinc/51/80/77/1205518077.db2.gz DJWBCZUFJOAFIP-GDBMZVCRSA-N 2 2 344.459 2.478 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCc2ccns2)CCCCC1 ZINC001276225639 1205843643 /nfs/dbraw/zinc/84/36/43/1205843643.db2.gz DLBWUDFXDLMLKA-UHFFFAOYSA-N 2 2 347.488 2.060 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccns1 ZINC000924680655 1206017026 /nfs/dbraw/zinc/01/70/26/1206017026.db2.gz VCCBJSBTTWKWFT-CQSZACIVSA-N 2 2 344.484 2.382 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccnnc1 ZINC000925117173 1206071533 /nfs/dbraw/zinc/07/15/33/1206071533.db2.gz NTTZBEXOGLLFLP-IPELMVKDSA-N 2 2 326.444 2.010 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccnnc1 ZINC000925117173 1206071536 /nfs/dbraw/zinc/07/15/36/1206071536.db2.gz NTTZBEXOGLLFLP-IPELMVKDSA-N 2 2 326.444 2.010 10 0 EEAELP CC(C)C[C@H](C)n1nccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926092315 1206190578 /nfs/dbraw/zinc/19/05/78/1206190578.db2.gz YCCBBYOWVQJYHU-AWEZNQCLSA-N 2 2 336.484 2.035 10 0 EEAELP CC(C)[NH2+]C1CC[NH+](C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000929963023 1206522439 /nfs/dbraw/zinc/52/24/39/1206522439.db2.gz WATVJKMAUYTJNL-KRWDZBQOSA-N 2 2 331.460 2.370 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000930226501 1206542771 /nfs/dbraw/zinc/54/27/71/1206542771.db2.gz AHHASUPAMGWGFP-HDMKZQKVSA-N 2 2 346.475 2.294 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000930226501 1206542772 /nfs/dbraw/zinc/54/27/72/1206542772.db2.gz AHHASUPAMGWGFP-HDMKZQKVSA-N 2 2 346.475 2.294 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+]3C)n2)C1 ZINC000902934160 1239121985 /nfs/dbraw/zinc/12/19/85/1239121985.db2.gz NRZITJRREYDPSK-JSGCOSHPSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+]3C)n2)C1 ZINC000902934160 1239121991 /nfs/dbraw/zinc/12/19/91/1239121991.db2.gz NRZITJRREYDPSK-JSGCOSHPSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@@H+]3C)n2)C1 ZINC000902934160 1239121995 /nfs/dbraw/zinc/12/19/95/1239121995.db2.gz NRZITJRREYDPSK-JSGCOSHPSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@H+]3C)n2)C1 ZINC000902934160 1239122001 /nfs/dbraw/zinc/12/20/01/1239122001.db2.gz NRZITJRREYDPSK-JSGCOSHPSA-N 2 2 337.493 2.201 10 0 EEAELP CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902992568 1239284466 /nfs/dbraw/zinc/28/44/66/1239284466.db2.gz BDJCLNYRCOHVFE-CJNGLKHVSA-N 2 2 332.473 2.391 10 0 EEAELP CC1(C)C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000903552227 1240911581 /nfs/dbraw/zinc/91/15/81/1240911581.db2.gz CHAMQTWONHXKOT-ZDUSSCGKSA-N 2 2 340.265 2.447 10 0 EEAELP CC1(C)C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000903552227 1240911586 /nfs/dbraw/zinc/91/15/86/1240911586.db2.gz CHAMQTWONHXKOT-ZDUSSCGKSA-N 2 2 340.265 2.447 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F ZINC001491225898 1258810284 /nfs/dbraw/zinc/81/02/84/1258810284.db2.gz QMPYLYOWNRJXNT-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1F ZINC001491225898 1258810291 /nfs/dbraw/zinc/81/02/91/1258810291.db2.gz QMPYLYOWNRJXNT-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP Cc1conc1C[NH2+]C1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001491363736 1258994114 /nfs/dbraw/zinc/99/41/14/1258994114.db2.gz AMQMZBGJPGFONP-FHERZECASA-N 2 2 345.447 2.348 10 0 EEAELP CN(CCC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)Cn1cc[nH+]c1 ZINC001273599686 1280867188 /nfs/dbraw/zinc/86/71/88/1280867188.db2.gz UMLFTCRHEPVHSE-ZDUSSCGKSA-N 2 2 347.290 2.247 10 0 EEAELP CN(CCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)Cn1cc[nH+]c1 ZINC001273599686 1280867197 /nfs/dbraw/zinc/86/71/97/1280867197.db2.gz UMLFTCRHEPVHSE-ZDUSSCGKSA-N 2 2 347.290 2.247 10 0 EEAELP C[C@@H]([NH2+]CCC(F)(F)F)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001490312343 1291188495 /nfs/dbraw/zinc/18/84/95/1291188495.db2.gz OMBZLHNQEYZSAA-OLZOCXBDSA-N 2 2 332.370 2.195 10 0 EEAELP Cc1conc1C[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490409769 1291322470 /nfs/dbraw/zinc/32/24/70/1291322470.db2.gz QGXNOFHMLTZCMD-INIZCTEOSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1conc1C[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001490409769 1291322482 /nfs/dbraw/zinc/32/24/82/1291322482.db2.gz QGXNOFHMLTZCMD-INIZCTEOSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1ccccc1[C@H](O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000852042460 1291968151 /nfs/dbraw/zinc/96/81/51/1291968151.db2.gz WVUWXAHFCJICMT-AZUAARDMSA-N 2 2 334.504 2.442 10 0 EEAELP Cc1ccccc1[C@H](O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852042460 1291968155 /nfs/dbraw/zinc/96/81/55/1291968155.db2.gz WVUWXAHFCJICMT-AZUAARDMSA-N 2 2 334.504 2.442 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760371 1292189683 /nfs/dbraw/zinc/18/96/83/1292189683.db2.gz DPBTXKOIYIUVSH-DLBZAZTESA-N 2 2 326.868 2.416 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760371 1292189689 /nfs/dbraw/zinc/18/96/89/1292189689.db2.gz DPBTXKOIYIUVSH-DLBZAZTESA-N 2 2 326.868 2.416 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(Cl)c(F)c1 ZINC000855414900 1293209339 /nfs/dbraw/zinc/20/93/39/1293209339.db2.gz MKGWMTKQSQMXBZ-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(Cl)c(F)c1 ZINC000855414900 1293209341 /nfs/dbraw/zinc/20/93/41/1293209341.db2.gz MKGWMTKQSQMXBZ-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP COCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001277345432 1302549379 /nfs/dbraw/zinc/54/93/79/1302549379.db2.gz KINJGMULSDVSOQ-SJORKVTESA-N 2 2 348.491 2.028 10 0 EEAELP COCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001277345432 1302549386 /nfs/dbraw/zinc/54/93/86/1302549386.db2.gz KINJGMULSDVSOQ-SJORKVTESA-N 2 2 348.491 2.028 10 0 EEAELP CCCCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001277682887 1304178254 /nfs/dbraw/zinc/17/82/54/1304178254.db2.gz XUVYOMQPLIAAFY-IAGOWNOFSA-N 2 2 339.524 2.066 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001278016105 1305692311 /nfs/dbraw/zinc/69/23/11/1305692311.db2.gz RDCRRQKGRPYAFU-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C ZINC001278300146 1309148069 /nfs/dbraw/zinc/14/80/69/1309148069.db2.gz FUCVJKSHGFHIHA-VQIMIIECSA-N 2 2 340.471 2.472 10 0 EEAELP CCOCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001278384790 1309958711 /nfs/dbraw/zinc/95/87/11/1309958711.db2.gz OWZUDUSLHRHJOW-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP 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CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001265399404 1323131739 /nfs/dbraw/zinc/13/17/39/1323131739.db2.gz VWPGFJNQKIACQD-KRWDZBQOSA-N 2 2 332.492 2.489 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001265399404 1323131746 /nfs/dbraw/zinc/13/17/46/1323131746.db2.gz VWPGFJNQKIACQD-KRWDZBQOSA-N 2 2 332.492 2.489 10 0 EEAELP COCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001265673712 1323313521 /nfs/dbraw/zinc/31/35/21/1323313521.db2.gz KRKJSCSMPPNEQZ-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CCOCC2CCC2)C1 ZINC001279308325 1323870243 /nfs/dbraw/zinc/87/02/43/1323870243.db2.gz UROJNQHREQLIIQ-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]CCCc2ccsc2)C1 ZINC001280207826 1324114456 /nfs/dbraw/zinc/11/44/56/1324114456.db2.gz OSNYPZIZIBYHCG-HNNXBMFYSA-N 2 2 346.500 2.475 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001280900510 1324622623 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LGVJBBHMWXBFLV-DLBZAZTESA-N 2 2 332.492 2.318 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@H]2C)c1 ZINC001283913359 1326317903 /nfs/dbraw/zinc/31/79/03/1326317903.db2.gz KZYJVQQWOYIMKU-QFBILLFUSA-N 2 2 340.471 2.472 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCCc1ccccc1 ZINC001491584669 1330173605 /nfs/dbraw/zinc/17/36/05/1330173605.db2.gz WNOQQNVILRZBKI-KBAYOESNSA-N 2 2 340.471 2.251 10 0 EEAELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1F ZINC001491596844 1330179112 /nfs/dbraw/zinc/17/91/12/1330179112.db2.gz WGRGBXGPFGNGFO-STQMWFEESA-N 2 2 336.386 2.407 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC001492176160 1331054228 /nfs/dbraw/zinc/05/42/28/1331054228.db2.gz SKRTWAKTKLWHDJ-DLBZAZTESA-N 2 2 348.491 2.191 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC001492176160 1331054235 /nfs/dbraw/zinc/05/42/35/1331054235.db2.gz SKRTWAKTKLWHDJ-DLBZAZTESA-N 2 2 348.491 2.191 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)Cc1ccccn1 ZINC001492256544 1331118099 /nfs/dbraw/zinc/11/80/99/1331118099.db2.gz GTWKJVCDHYRFNB-HNNXBMFYSA-N 2 2 329.448 2.040 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](C)Cc1ccccn1 ZINC001492256544 1331118101 /nfs/dbraw/zinc/11/81/01/1331118101.db2.gz GTWKJVCDHYRFNB-HNNXBMFYSA-N 2 2 329.448 2.040 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)no1 ZINC001316679893 1331310363 /nfs/dbraw/zinc/31/03/63/1331310363.db2.gz DUTUKOLXUSXMNB-SUMWQHHRSA-N 2 2 345.447 2.056 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001316772247 1331885086 /nfs/dbraw/zinc/88/50/86/1331885086.db2.gz JHZRMSABUGDQMF-IAGOWNOFSA-N 2 2 348.491 2.130 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)Cc1nccs1 ZINC001316835322 1331922761 /nfs/dbraw/zinc/92/27/61/1331922761.db2.gz NHHKVRYXJISTKQ-CABCVRRESA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1nccs1 ZINC001316835322 1331922754 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10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001318859325 1332613006 /nfs/dbraw/zinc/61/30/06/1332613006.db2.gz ICFIHMFYXRWBNV-GOSISDBHSA-N 2 2 326.444 2.302 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]C[C@H]2CC[C@@H](C)O2)CC1 ZINC001318927588 1332625005 /nfs/dbraw/zinc/62/50/05/1332625005.db2.gz AAQZAZDQQBFIFW-RHSMWYFYSA-N 2 2 348.491 2.046 10 0 EEAELP CCOCCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001319146262 1332657166 /nfs/dbraw/zinc/65/71/66/1332657166.db2.gz WWOXBWCLBYRIHB-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP CCOCCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001319146262 1332657168 /nfs/dbraw/zinc/65/71/68/1332657168.db2.gz WWOXBWCLBYRIHB-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CCC1CCCC1 ZINC001319210207 1332665766 /nfs/dbraw/zinc/66/57/66/1332665766.db2.gz UAKNCEGLGVWTIQ-NVXWUHKLSA-N 2 2 332.492 2.368 10 0 EEAELP Cc1nnc([C@@H](C)[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001322567895 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FIRMGVFKOYBUAZ-GOSISDBHSA-N 2 2 341.459 2.161 10 0 EEAELP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908442363 785417474 /nfs/dbraw/zinc/41/74/74/785417474.db2.gz FIRMGVFKOYBUAZ-GOSISDBHSA-N 2 2 341.459 2.161 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000820808392 786463070 /nfs/dbraw/zinc/46/30/70/786463070.db2.gz DVOYHVKOKXEDKH-QAPCUYQASA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000820808392 786463074 /nfs/dbraw/zinc/46/30/74/786463074.db2.gz DVOYHVKOKXEDKH-QAPCUYQASA-N 2 2 329.448 2.029 10 0 EEAELP C[C@@]1(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[NH+]2CCC1CC2 ZINC000912377438 788150063 /nfs/dbraw/zinc/15/00/63/788150063.db2.gz NCXPMUDKDHTOHI-HXUWFJFHSA-N 2 2 338.455 2.074 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381666 789077926 /nfs/dbraw/zinc/07/79/26/789077926.db2.gz QJEXUMRNTXZVJK-ZWKOTPCHSA-N 2 2 338.879 2.079 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381666 789077936 /nfs/dbraw/zinc/07/79/36/789077936.db2.gz QJEXUMRNTXZVJK-ZWKOTPCHSA-N 2 2 338.879 2.079 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381666 789077946 /nfs/dbraw/zinc/07/79/46/789077946.db2.gz QJEXUMRNTXZVJK-ZWKOTPCHSA-N 2 2 338.879 2.079 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381666 789077955 /nfs/dbraw/zinc/07/79/55/789077955.db2.gz QJEXUMRNTXZVJK-ZWKOTPCHSA-N 2 2 338.879 2.079 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COc1ccccc1C(F)(F)F ZINC000923399672 789498814 /nfs/dbraw/zinc/49/88/14/789498814.db2.gz RGJOFYGPROXPLX-IUODEOHRSA-N 2 2 344.377 2.319 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCOC(C)C ZINC001566534177 1125703497 /nfs/dbraw/zinc/70/34/97/1125703497.db2.gz JKNVRHRQBWWQKE-DOTOQJQBSA-N 2 2 336.480 2.045 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001436402381 1087750798 /nfs/dbraw/zinc/75/07/98/1087750798.db2.gz DDSIBJJXRQGQOD-KKUMJFAQSA-N 2 2 340.418 2.193 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CC3)[C@H]2C1(C)C ZINC001436452871 1087893644 /nfs/dbraw/zinc/89/36/44/1087893644.db2.gz XJHHBJQRPLPQBC-QXAKKESOSA-N 2 2 344.503 2.368 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@@H]2CCC[N@@H+](CC3CC3)[C@H]2C1(C)C ZINC001436452871 1087893668 /nfs/dbraw/zinc/89/36/68/1087893668.db2.gz XJHHBJQRPLPQBC-QXAKKESOSA-N 2 2 344.503 2.368 10 0 EEAELP CC[C@@H](F)C[NH2+][C@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001436511875 1088049290 /nfs/dbraw/zinc/04/92/90/1088049290.db2.gz NRFPTNFUERNPOS-CVEARBPZSA-N 2 2 338.471 2.462 10 0 EEAELP CCc1nc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cs1 ZINC001437211831 1089290499 /nfs/dbraw/zinc/29/04/99/1089290499.db2.gz NNONXSDSSZVFTR-OLZOCXBDSA-N 2 2 335.477 2.148 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@@H]1CCc2ccccc21 ZINC001437241298 1089350199 /nfs/dbraw/zinc/35/01/99/1089350199.db2.gz DMEBFMBVTYBYDO-RDTXWAMCSA-N 2 2 326.444 2.135 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001437391826 1089642973 /nfs/dbraw/zinc/64/29/73/1089642973.db2.gz ZRHWVACHWLVNRL-HOCLYGCPSA-N 2 2 344.434 2.269 10 0 EEAELP O=C(NCC[N@H+](Cc1cncs1)C1CC1)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001437806337 1090394749 /nfs/dbraw/zinc/39/47/49/1090394749.db2.gz IRRAUDHGTWLTCA-NVXWUHKLSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[N@@H+](Cc1cncs1)C1CC1)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001437806337 1090394754 /nfs/dbraw/zinc/39/47/54/1090394754.db2.gz IRRAUDHGTWLTCA-NVXWUHKLSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001437806337 1090394759 /nfs/dbraw/zinc/39/47/59/1090394759.db2.gz IRRAUDHGTWLTCA-NVXWUHKLSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001437806337 1090394765 /nfs/dbraw/zinc/39/47/65/1090394765.db2.gz IRRAUDHGTWLTCA-NVXWUHKLSA-N 2 2 348.516 2.241 10 0 EEAELP C[C@@H](F)CC[N@H+](C)CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001438005314 1090603745 /nfs/dbraw/zinc/60/37/45/1090603745.db2.gz QAUKOHOSYSCKSD-OAHLLOKOSA-N 2 2 338.471 2.271 10 0 EEAELP C[C@@H](F)CC[N@@H+](C)CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001438005314 1090603746 /nfs/dbraw/zinc/60/37/46/1090603746.db2.gz QAUKOHOSYSCKSD-OAHLLOKOSA-N 2 2 338.471 2.271 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2nc3ccccc3o2)C1)[NH+](C)C ZINC001438183403 1090686633 /nfs/dbraw/zinc/68/66/33/1090686633.db2.gz WOTHFWZADMKJDG-OFQRWUPVSA-N 2 2 344.459 2.420 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1)[NH+](C)C ZINC001438183403 1090686636 /nfs/dbraw/zinc/68/66/36/1090686636.db2.gz WOTHFWZADMKJDG-OFQRWUPVSA-N 2 2 344.459 2.420 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)CC[C@H]3CCC[NH+]3C)C2)oc1C ZINC001438228630 1090707441 /nfs/dbraw/zinc/70/74/41/1090707441.db2.gz AFULVMIZNCEQQS-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC[C@H]3CCC[NH+]3C)C2)oc1C ZINC001438228630 1090707448 /nfs/dbraw/zinc/70/74/48/1090707448.db2.gz AFULVMIZNCEQQS-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)CC[C@H]3CCC[N@@H+]3C)C2)oc1C ZINC001438228630 1090707455 /nfs/dbraw/zinc/70/74/55/1090707455.db2.gz AFULVMIZNCEQQS-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)CC[C@H]3CCC[N@H+]3C)C2)oc1C ZINC001438228630 1090707460 /nfs/dbraw/zinc/70/74/60/1090707460.db2.gz AFULVMIZNCEQQS-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCc1ccccc1F ZINC001438311150 1090789117 /nfs/dbraw/zinc/78/91/17/1090789117.db2.gz ODAHZRYEOKRJOX-ARFHVFGLSA-N 2 2 344.434 2.379 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCc1ccccc1F ZINC001438311150 1090789124 /nfs/dbraw/zinc/78/91/24/1090789124.db2.gz ODAHZRYEOKRJOX-ARFHVFGLSA-N 2 2 344.434 2.379 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccsc1 ZINC001438338513 1090814478 /nfs/dbraw/zinc/81/44/78/1090814478.db2.gz XIUSEFRMZQQLMM-LSDHHAIUSA-N 2 2 332.473 2.192 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438712216 1091229813 /nfs/dbraw/zinc/22/98/13/1091229813.db2.gz GNDQQKYFASBLSO-SUMWQHHRSA-N 2 2 330.407 2.146 10 0 EEAELP CC(C)C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001438741396 1091294468 /nfs/dbraw/zinc/29/44/68/1091294468.db2.gz ZBIBOUBTJVPWMB-HZPDHXFCSA-N 2 2 344.459 2.105 10 0 EEAELP C[C@@H](C[NH2+]Cc1c(Cl)cccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001445664216 1091453809 /nfs/dbraw/zinc/45/38/09/1091453809.db2.gz HMANTXGKFZKRBK-NSHDSACASA-N 2 2 341.242 2.484 10 0 EEAELP C[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC001439079006 1091725373 /nfs/dbraw/zinc/72/53/73/1091725373.db2.gz VNSIBQLFJUQZEX-QWHCGFSZSA-N 2 2 336.386 2.407 10 0 EEAELP CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001439129395 1091773933 /nfs/dbraw/zinc/77/39/33/1091773933.db2.gz MXBAWLSGMOQVEY-QAPCUYQASA-N 2 2 340.471 2.302 10 0 EEAELP C[C@H](C[N@H+](C)Cc1nsc2ccccc12)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445873674 1091799323 /nfs/dbraw/zinc/79/93/23/1091799323.db2.gz SVRJCADGWSNDIL-ZIAGYGMSSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1nsc2ccccc12)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445873674 1091799333 /nfs/dbraw/zinc/79/93/33/1091799333.db2.gz SVRJCADGWSNDIL-ZIAGYGMSSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@H](C[NH+](C)Cc1nsc2ccccc12)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445873674 1091799342 /nfs/dbraw/zinc/79/93/42/1091799342.db2.gz SVRJCADGWSNDIL-ZIAGYGMSSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@H](C[NH+](C)Cc1nsc2ccccc12)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445873674 1091799354 /nfs/dbraw/zinc/79/93/54/1091799354.db2.gz SVRJCADGWSNDIL-ZIAGYGMSSA-N 2 2 346.500 2.185 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001439339782 1092038720 /nfs/dbraw/zinc/03/87/20/1092038720.db2.gz POZWZABGSBNAEA-XJKSGUPXSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001439339782 1092038730 /nfs/dbraw/zinc/03/87/30/1092038730.db2.gz POZWZABGSBNAEA-XJKSGUPXSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC001439339776 1092039207 /nfs/dbraw/zinc/03/92/07/1092039207.db2.gz POZWZABGSBNAEA-BBRMVZONSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC001439339776 1092039217 /nfs/dbraw/zinc/03/92/17/1092039217.db2.gz POZWZABGSBNAEA-BBRMVZONSA-N 2 2 346.500 2.452 10 0 EEAELP CC(C)c1cccc(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001439876077 1092920663 /nfs/dbraw/zinc/92/06/63/1092920663.db2.gz XJHMXPIVLVGIFJ-HXUWFJFHSA-N 2 2 344.503 2.381 10 0 EEAELP CC(C)c1cccc(C[N@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001439876077 1092920667 /nfs/dbraw/zinc/92/06/67/1092920667.db2.gz XJHMXPIVLVGIFJ-HXUWFJFHSA-N 2 2 344.503 2.381 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1Cc1cncs1)C(=O)CCC[NH+]1CCCC1 ZINC001440278005 1093395327 /nfs/dbraw/zinc/39/53/27/1093395327.db2.gz SYEVCVBKRMHCPE-OAHLLOKOSA-N 2 2 336.505 2.052 10 0 EEAELP CN(C[C@H]1CC[N@H+]1Cc1cncs1)C(=O)CCC[NH+]1CCCC1 ZINC001440278005 1093395335 /nfs/dbraw/zinc/39/53/35/1093395335.db2.gz SYEVCVBKRMHCPE-OAHLLOKOSA-N 2 2 336.505 2.052 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@@H](OC)C1CCC1 ZINC001440465623 1093688129 /nfs/dbraw/zinc/68/81/29/1093688129.db2.gz XCJIQBZSJMJLPD-RCCFBDPRSA-N 2 2 348.491 2.057 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@@H](OC)C1CCC1 ZINC001440465623 1093688132 /nfs/dbraw/zinc/68/81/32/1093688132.db2.gz XCJIQBZSJMJLPD-RCCFBDPRSA-N 2 2 348.491 2.057 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001448745506 1093815588 /nfs/dbraw/zinc/81/55/88/1093815588.db2.gz HAFHVZRQZRJEFK-OLZOCXBDSA-N 2 2 328.407 2.214 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@@H](C)F)[nH+]c12 ZINC001448756931 1093827391 /nfs/dbraw/zinc/82/73/91/1093827391.db2.gz MQCQJEPYZYZJAG-HUUCEWRRSA-N 2 2 334.439 2.370 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC001440620729 1093889860 /nfs/dbraw/zinc/88/98/60/1093889860.db2.gz FONGSESAKMGZMD-SJORKVTESA-N 2 2 348.491 2.266 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC001440620729 1093889864 /nfs/dbraw/zinc/88/98/64/1093889864.db2.gz FONGSESAKMGZMD-SJORKVTESA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC001440620729 1093889868 /nfs/dbraw/zinc/88/98/68/1093889868.db2.gz FONGSESAKMGZMD-SJORKVTESA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC001440620729 1093889873 /nfs/dbraw/zinc/88/98/73/1093889873.db2.gz FONGSESAKMGZMD-SJORKVTESA-N 2 2 348.491 2.266 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCc2ccnn2C)c(C)[nH+]1 ZINC001440815312 1094068819 /nfs/dbraw/zinc/06/88/19/1094068819.db2.gz RLWMXSBUGMHDOU-LSDHHAIUSA-N 2 2 343.475 2.079 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001440829642 1094081916 /nfs/dbraw/zinc/08/19/16/1094081916.db2.gz RZFWQSXSWAPANE-JKSUJKDBSA-N 2 2 343.475 2.022 10 0 EEAELP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC001441185702 1094544400 /nfs/dbraw/zinc/54/44/00/1094544400.db2.gz ZJEFUDRVSHEPAP-GFCCVEGCSA-N 2 2 341.858 2.367 10 0 EEAELP Cc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C(C)(C)C2)no1 ZINC001441240072 1094626887 /nfs/dbraw/zinc/62/68/87/1094626887.db2.gz GARAOARSNDKYHQ-DLBZAZTESA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[NH+]2C[C@@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)no1 ZINC001441240072 1094626891 /nfs/dbraw/zinc/62/68/91/1094626891.db2.gz GARAOARSNDKYHQ-DLBZAZTESA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC001441240072 1094626894 /nfs/dbraw/zinc/62/68/94/1094626894.db2.gz GARAOARSNDKYHQ-DLBZAZTESA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC001441240072 1094626900 /nfs/dbraw/zinc/62/69/00/1094626900.db2.gz GARAOARSNDKYHQ-DLBZAZTESA-N 2 2 348.491 2.184 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2F)C1 ZINC001441355558 1094871886 /nfs/dbraw/zinc/87/18/86/1094871886.db2.gz BXOCPYYLWCQHRM-SAZUREKKSA-N 2 2 348.397 2.236 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001441481327 1095152080 /nfs/dbraw/zinc/15/20/80/1095152080.db2.gz AXQQCOUDGFWJFF-GASCZTMLSA-N 2 2 334.370 2.058 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001441481327 1095152086 /nfs/dbraw/zinc/15/20/86/1095152086.db2.gz AXQQCOUDGFWJFF-GASCZTMLSA-N 2 2 334.370 2.058 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1C1CC1 ZINC001441643657 1095567462 /nfs/dbraw/zinc/56/74/62/1095567462.db2.gz RDGVJGVOSZQBNT-HNNXBMFYSA-N 2 2 326.444 2.397 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001441685466 1095664711 /nfs/dbraw/zinc/66/47/11/1095664711.db2.gz BXCXKMKSJSYQNS-SJORKVTESA-N 2 2 341.459 2.003 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001441685466 1095664719 /nfs/dbraw/zinc/66/47/19/1095664719.db2.gz BXCXKMKSJSYQNS-SJORKVTESA-N 2 2 341.459 2.003 10 0 EEAELP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21)c1ccccc1 ZINC001441735443 1095723050 /nfs/dbraw/zinc/72/30/50/1095723050.db2.gz NFPJWNUJWYVJLR-BLAYFSCESA-N 2 2 333.863 2.088 10 0 EEAELP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21)c1ccccc1 ZINC001441735443 1095723058 /nfs/dbraw/zinc/72/30/58/1095723058.db2.gz NFPJWNUJWYVJLR-BLAYFSCESA-N 2 2 333.863 2.088 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC001441859560 1095958532 /nfs/dbraw/zinc/95/85/32/1095958532.db2.gz RUKNVFQOTGFALU-DLBZAZTESA-N 2 2 340.471 2.357 10 0 EEAELP Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001441869301 1095980685 /nfs/dbraw/zinc/98/06/85/1095980685.db2.gz JACHFTUMLWHJFD-IAGOWNOFSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccc(F)cc1F ZINC001441881237 1096006181 /nfs/dbraw/zinc/00/61/81/1096006181.db2.gz UGFXOBYMZWPWCZ-OCCSQVGLSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1F ZINC001441885965 1096016726 /nfs/dbraw/zinc/01/67/26/1096016726.db2.gz ZHORZEMXQGWYAZ-ZBFHGGJFSA-N 2 2 344.434 2.188 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)[C@H]2C)s1 ZINC001441901133 1096057716 /nfs/dbraw/zinc/05/77/16/1096057716.db2.gz WHYZUUZBKTZLGI-CZUORRHYSA-N 2 2 347.488 2.207 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)[C@H]2C)s1 ZINC001441901133 1096057732 /nfs/dbraw/zinc/05/77/32/1096057732.db2.gz WHYZUUZBKTZLGI-CZUORRHYSA-N 2 2 347.488 2.207 10 0 EEAELP CCc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001442413480 1096736015 /nfs/dbraw/zinc/73/60/15/1096736015.db2.gz CNZIZIQIDKGVSE-IAGOWNOFSA-N 2 2 326.444 2.324 10 0 EEAELP CCc1ccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001442413480 1096736020 /nfs/dbraw/zinc/73/60/20/1096736020.db2.gz CNZIZIQIDKGVSE-IAGOWNOFSA-N 2 2 326.444 2.324 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001442814985 1097201919 /nfs/dbraw/zinc/20/19/19/1097201919.db2.gz CZYLKFYVVGSOHU-SJORKVTESA-N 2 2 341.459 2.318 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001442814985 1097201922 /nfs/dbraw/zinc/20/19/22/1097201922.db2.gz CZYLKFYVVGSOHU-SJORKVTESA-N 2 2 341.459 2.318 10 0 EEAELP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001443333136 1097843950 /nfs/dbraw/zinc/84/39/50/1097843950.db2.gz SZLLICCFFWSWSM-IAGOWNOFSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001443333136 1097843959 /nfs/dbraw/zinc/84/39/59/1097843959.db2.gz SZLLICCFFWSWSM-IAGOWNOFSA-N 2 2 332.492 2.272 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC001444033901 1098553908 /nfs/dbraw/zinc/55/39/08/1098553908.db2.gz MHFZVEOAXVNFAK-CYBMUJFWSA-N 2 2 349.504 2.322 10 0 EEAELP CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001479624520 1098648388 /nfs/dbraw/zinc/64/83/88/1098648388.db2.gz ADXXCYCTFFIQBF-UONOGXRCSA-N 2 2 346.397 2.300 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001480228607 1099850400 /nfs/dbraw/zinc/85/04/00/1099850400.db2.gz VOXHVGKDTFNNFK-IYBDPMFKSA-N 2 2 326.444 2.388 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]Cc2ccns2)C(C)C)c[nH+]1 ZINC001444881472 1099905275 /nfs/dbraw/zinc/90/52/75/1099905275.db2.gz DAQHWRSORRFTRO-OAHLLOKOSA-N 2 2 349.504 2.314 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C(C)C)o1 ZINC001444903056 1099964485 /nfs/dbraw/zinc/96/44/85/1099964485.db2.gz ANYJRDLZXGHDGO-XJKSGUPXSA-N 2 2 333.436 2.061 10 0 EEAELP Cc1conc1C[NH2+]C1CCC(NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001480412639 1100231004 /nfs/dbraw/zinc/23/10/04/1100231004.db2.gz KUVACOIPBBMDTE-UHFFFAOYSA-N 2 2 345.447 2.177 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH2+]CCC[C@@H](C)O)C(C)C)ccn12 ZINC001496561720 1101163600 /nfs/dbraw/zinc/16/36/00/1101163600.db2.gz MNXCPJYMQVPEQZ-NVXWUHKLSA-N 2 2 346.475 2.148 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)o1 ZINC001496796316 1101486355 /nfs/dbraw/zinc/48/63/55/1101486355.db2.gz DNKFQRFFXDKDCM-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)o1 ZINC001496796316 1101486362 /nfs/dbraw/zinc/48/63/62/1101486362.db2.gz DNKFQRFFXDKDCM-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001496796316 1101486370 /nfs/dbraw/zinc/48/63/70/1101486370.db2.gz DNKFQRFFXDKDCM-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)o1 ZINC001496796316 1101486375 /nfs/dbraw/zinc/48/63/75/1101486375.db2.gz DNKFQRFFXDKDCM-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP CCc1ccccc1[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CC1 ZINC001446941798 1101630534 /nfs/dbraw/zinc/63/05/34/1101630534.db2.gz MYJCUXOZVMDSPM-KRWDZBQOSA-N 2 2 326.444 2.372 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@H+](CCC2CCCCC2)CCO1 ZINC001495879541 1101707731 /nfs/dbraw/zinc/70/77/31/1101707731.db2.gz AIUBXNRRNCIAEV-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@@H+](CCC2CCCCC2)CCO1 ZINC001495879541 1101707742 /nfs/dbraw/zinc/70/77/42/1101707742.db2.gz AIUBXNRRNCIAEV-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP CC(C)COCC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001496107267 1102073968 /nfs/dbraw/zinc/07/39/68/1102073968.db2.gz GDKLRMKFUYBCHA-OAHLLOKOSA-N 2 2 332.448 2.057 10 0 EEAELP Cc1cc(C)c(C(=O)NCC2([NH2+]C[C@H]3CCOC3)CCC2)c(C)[nH+]1 ZINC001447214416 1102217813 /nfs/dbraw/zinc/21/78/13/1102217813.db2.gz KLCCOCYXCOVXQE-MRXNPFEDSA-N 2 2 331.460 2.285 10 0 EEAELP CCc1nocc1C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497609309 1102743971 /nfs/dbraw/zinc/74/39/71/1102743971.db2.gz CBONEVWEVNZCMZ-ONEGZZNKSA-N 2 2 339.399 2.189 10 0 EEAELP CC1([NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001447550511 1102847366 /nfs/dbraw/zinc/84/73/66/1102847366.db2.gz QXGATPVUHYYTRT-INIZCTEOSA-N 2 2 330.476 2.216 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001497715989 1102958499 /nfs/dbraw/zinc/95/84/99/1102958499.db2.gz XLKXPPGSZMJFPS-SNAWJCMRSA-N 2 2 348.491 2.292 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001493927173 1103128857 /nfs/dbraw/zinc/12/88/57/1103128857.db2.gz JESIBZUREYAEQU-BHYGNILZSA-N 2 2 336.455 2.403 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001493927173 1103128865 /nfs/dbraw/zinc/12/88/65/1103128865.db2.gz JESIBZUREYAEQU-BHYGNILZSA-N 2 2 336.455 2.403 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001493927173 1103128875 /nfs/dbraw/zinc/12/88/75/1103128875.db2.gz JESIBZUREYAEQU-BHYGNILZSA-N 2 2 336.455 2.403 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001493927173 1103128881 /nfs/dbraw/zinc/12/88/81/1103128881.db2.gz JESIBZUREYAEQU-BHYGNILZSA-N 2 2 336.455 2.403 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)Cc1c[nH+]ccc1OC ZINC001497835614 1103167380 /nfs/dbraw/zinc/16/73/80/1103167380.db2.gz GYPVWHOXCMDIDW-OAHLLOKOSA-N 2 2 341.455 2.490 10 0 EEAELP CCCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001493962451 1103206515 /nfs/dbraw/zinc/20/65/15/1103206515.db2.gz SGGUSYRVQUADFQ-HNNXBMFYSA-N 2 2 347.488 2.243 10 0 EEAELP CCCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001493962451 1103206519 /nfs/dbraw/zinc/20/65/19/1103206519.db2.gz SGGUSYRVQUADFQ-HNNXBMFYSA-N 2 2 347.488 2.243 10 0 EEAELP CCO[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1)C1CC1 ZINC001494398590 1103983465 /nfs/dbraw/zinc/98/34/65/1103983465.db2.gz IVMGPNVRZZBTCY-MOPGFXCFSA-N 2 2 349.519 2.009 10 0 EEAELP CCO[C@@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1)C1CC1 ZINC001494398590 1103983467 /nfs/dbraw/zinc/98/34/67/1103983467.db2.gz IVMGPNVRZZBTCY-MOPGFXCFSA-N 2 2 349.519 2.009 10 0 EEAELP CC(C)CCC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001494555907 1104147346 /nfs/dbraw/zinc/14/73/46/1104147346.db2.gz HGKWBNYWTQAOQF-SFHVURJKSA-N 2 2 347.507 2.274 10 0 EEAELP CC(C)CCC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001494555907 1104147354 /nfs/dbraw/zinc/14/73/54/1104147354.db2.gz HGKWBNYWTQAOQF-SFHVURJKSA-N 2 2 347.507 2.274 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001494852429 1104456224 /nfs/dbraw/zinc/45/62/24/1104456224.db2.gz MIPILEBHFGKAAW-HOCLYGCPSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001494852429 1104456228 /nfs/dbraw/zinc/45/62/28/1104456228.db2.gz MIPILEBHFGKAAW-HOCLYGCPSA-N 2 2 346.500 2.425 10 0 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/nfs/dbraw/zinc/98/60/76/539986076.db2.gz BFPZBYDGHOMPIY-IBGZPJMESA-N 2 2 339.487 2.289 10 0 EEAELP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000678258512 539986079 /nfs/dbraw/zinc/98/60/79/539986079.db2.gz BFPZBYDGHOMPIY-IBGZPJMESA-N 2 2 339.487 2.289 10 0 EEAELP CCCCNC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272643 539992553 /nfs/dbraw/zinc/99/25/53/539992553.db2.gz SQAAGIZDIGSDTI-DGCLKSJQSA-N 2 2 325.482 2.234 10 0 EEAELP CCCCNC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725272643 539992555 /nfs/dbraw/zinc/99/25/55/539992555.db2.gz SQAAGIZDIGSDTI-DGCLKSJQSA-N 2 2 325.482 2.234 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422700633 240183632 /nfs/dbraw/zinc/18/36/32/240183632.db2.gz AMNZMMKEPCQDSR-APWZRJJASA-N 2 2 348.487 2.239 10 0 EEAELP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422788283 240224524 /nfs/dbraw/zinc/22/45/24/240224524.db2.gz QZIZCZJDNJUKDX-PMACEKPBSA-N 3 2 331.504 2.385 10 0 EEAELP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422860680 240263886 /nfs/dbraw/zinc/26/38/86/240263886.db2.gz IPQKNBAGWKCRKE-VQTJNVASSA-N 2 2 348.487 2.267 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@H](CO)c2cccnc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423120788 240373766 /nfs/dbraw/zinc/37/37/66/240373766.db2.gz HPDDBZPADWDQRY-RLLQIKCJSA-N 2 2 341.455 2.249 10 0 EEAELP CC[C@H]1C[N@H+](CC)CCN1Cc1cccc(N(CC)CCOC)[nH+]1 ZINC000451741681 243237970 /nfs/dbraw/zinc/23/79/70/243237970.db2.gz PGXMOWSWJSCHPO-SFHVURJKSA-N 2 2 334.508 2.470 10 0 EEAELP CC[C@H]1C[N@@H+](CC)CCN1Cc1cccc(N(CC)CCOC)[nH+]1 ZINC000451741681 243237974 /nfs/dbraw/zinc/23/79/74/243237974.db2.gz PGXMOWSWJSCHPO-SFHVURJKSA-N 2 2 334.508 2.470 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N(CC[NH+](C)C)CC2CCCCC2)c1 ZINC000459184282 245026027 /nfs/dbraw/zinc/02/60/27/245026027.db2.gz RVHWTQPAUZPKEO-UHFFFAOYSA-N 2 2 335.496 2.116 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000273025063 256258274 /nfs/dbraw/zinc/25/82/74/256258274.db2.gz BDAZUCZVUFZSJG-ZDUSSCGKSA-N 2 2 345.256 2.441 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000273025063 256258275 /nfs/dbraw/zinc/25/82/75/256258275.db2.gz BDAZUCZVUFZSJG-ZDUSSCGKSA-N 2 2 345.256 2.441 10 0 EEAELP COC(=O)c1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000111231436 142354375 /nfs/dbraw/zinc/35/43/75/142354375.db2.gz JZBHUVMOTLTOBV-LJQANCHMSA-N 2 2 345.487 2.075 10 0 EEAELP COC(=O)c1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000111231436 142354380 /nfs/dbraw/zinc/35/43/80/142354380.db2.gz JZBHUVMOTLTOBV-LJQANCHMSA-N 2 2 345.487 2.075 10 0 EEAELP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104017 292167857 /nfs/dbraw/zinc/16/78/57/292167857.db2.gz KXEHMWWFZWEBKJ-SJORKVTESA-N 2 2 329.444 2.348 10 0 EEAELP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104017 292167859 /nfs/dbraw/zinc/16/78/59/292167859.db2.gz KXEHMWWFZWEBKJ-SJORKVTESA-N 2 2 329.444 2.348 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1Cl ZINC000262994663 152353836 /nfs/dbraw/zinc/35/38/36/152353836.db2.gz OELABDFJRODCER-STQMWFEESA-N 2 2 331.794 2.056 10 0 EEAELP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ns1 ZINC000377196740 154083523 /nfs/dbraw/zinc/08/35/23/154083523.db2.gz ODFHWUWLLLSVRV-UHFFFAOYSA-N 2 2 336.505 2.132 10 0 EEAELP C[N@H+](CCOc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863021 159309541 /nfs/dbraw/zinc/30/95/41/159309541.db2.gz SIQRJQBGNUFXCP-UHFFFAOYSA-N 2 2 346.450 2.497 10 0 EEAELP C[N@@H+](CCOc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863021 159309542 /nfs/dbraw/zinc/30/95/42/159309542.db2.gz SIQRJQBGNUFXCP-UHFFFAOYSA-N 2 2 346.450 2.497 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1 ZINC000106164859 159312529 /nfs/dbraw/zinc/31/25/29/159312529.db2.gz DJGUYWVHIPZAGQ-UHFFFAOYSA-N 2 2 336.443 2.400 10 0 EEAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000106123072 159312960 /nfs/dbraw/zinc/31/29/60/159312960.db2.gz UFIWTLRPIPCRTN-HXUWFJFHSA-N 2 2 331.504 2.222 10 0 EEAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000106123072 159312962 /nfs/dbraw/zinc/31/29/62/159312962.db2.gz UFIWTLRPIPCRTN-HXUWFJFHSA-N 2 2 331.504 2.222 10 0 EEAELP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)[nH]1 ZINC000246872268 160298959 /nfs/dbraw/zinc/29/89/59/160298959.db2.gz SSYBPEDWXCJGLV-KSSFIOAISA-N 2 2 330.476 2.165 10 0 EEAELP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)[nH]1 ZINC000246872268 160298960 /nfs/dbraw/zinc/29/89/60/160298960.db2.gz SSYBPEDWXCJGLV-KSSFIOAISA-N 2 2 330.476 2.165 10 0 EEAELP CN(C)C(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000246872268 160298961 /nfs/dbraw/zinc/29/89/61/160298961.db2.gz SSYBPEDWXCJGLV-KSSFIOAISA-N 2 2 330.476 2.165 10 0 EEAELP CN(C)C(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH]1 ZINC000246872268 160298962 /nfs/dbraw/zinc/29/89/62/160298962.db2.gz SSYBPEDWXCJGLV-KSSFIOAISA-N 2 2 330.476 2.165 10 0 EEAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247962969 160335035 /nfs/dbraw/zinc/33/50/35/160335035.db2.gz GMCXCWRJAPWVGR-RDJZCZTQSA-N 2 2 331.460 2.358 10 0 EEAELP COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247962969 160335037 /nfs/dbraw/zinc/33/50/37/160335037.db2.gz GMCXCWRJAPWVGR-RDJZCZTQSA-N 2 2 331.460 2.358 10 0 EEAELP COc1ccc(C)cc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247962969 160335038 /nfs/dbraw/zinc/33/50/38/160335038.db2.gz GMCXCWRJAPWVGR-RDJZCZTQSA-N 2 2 331.460 2.358 10 0 EEAELP COc1ccc(C)cc1NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247962969 160335040 /nfs/dbraw/zinc/33/50/40/160335040.db2.gz GMCXCWRJAPWVGR-RDJZCZTQSA-N 2 2 331.460 2.358 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158604 160338977 /nfs/dbraw/zinc/33/89/77/160338977.db2.gz RTCFFMBLFAUBNC-IEBWSBKVSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158604 160338978 /nfs/dbraw/zinc/33/89/78/160338978.db2.gz RTCFFMBLFAUBNC-IEBWSBKVSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158604 160338979 /nfs/dbraw/zinc/33/89/79/160338979.db2.gz RTCFFMBLFAUBNC-IEBWSBKVSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158604 160338980 /nfs/dbraw/zinc/33/89/80/160338980.db2.gz RTCFFMBLFAUBNC-IEBWSBKVSA-N 2 2 327.472 2.252 10 0 EEAELP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC000344360106 161220134 /nfs/dbraw/zinc/22/01/34/161220134.db2.gz PFCIIOXVHPLUAU-WMLDXEAASA-N 3 2 336.549 2.457 10 0 EEAELP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC000344360106 161220135 /nfs/dbraw/zinc/22/01/35/161220135.db2.gz PFCIIOXVHPLUAU-WMLDXEAASA-N 3 2 336.549 2.457 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000370024740 166379252 /nfs/dbraw/zinc/37/92/52/166379252.db2.gz FTCLMCDRJHNQSU-HNNXBMFYSA-N 2 2 341.459 2.255 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000375206343 167088034 /nfs/dbraw/zinc/08/80/34/167088034.db2.gz HZKRUFUJGRQWFV-KRWDZBQOSA-N 2 2 336.443 2.456 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000375206343 167088036 /nfs/dbraw/zinc/08/80/36/167088036.db2.gz HZKRUFUJGRQWFV-KRWDZBQOSA-N 2 2 336.443 2.456 10 0 EEAELP CC[C@H](C)[NH2+][C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccco1 ZINC000359541340 287622713 /nfs/dbraw/zinc/62/27/13/287622713.db2.gz KSCMDBKTRNUXTC-HOTGVXAUSA-N 2 2 349.475 2.080 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000281124833 269405966 /nfs/dbraw/zinc/40/59/66/269405966.db2.gz IIOMAZDXIGIXLQ-GHMZBOCLSA-N 2 2 336.386 2.174 10 0 EEAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271353210 274123708 /nfs/dbraw/zinc/12/37/08/274123708.db2.gz WOHKVAIQMOULHH-OAHLLOKOSA-N 2 2 327.432 2.262 10 0 EEAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271353210 274123710 /nfs/dbraw/zinc/12/37/10/274123710.db2.gz WOHKVAIQMOULHH-OAHLLOKOSA-N 2 2 327.432 2.262 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052197 275368294 /nfs/dbraw/zinc/36/82/94/275368294.db2.gz BRLATMSJQXZOGR-FUHWJXTLSA-N 2 2 333.863 2.473 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052197 275368295 /nfs/dbraw/zinc/36/82/95/275368295.db2.gz BRLATMSJQXZOGR-FUHWJXTLSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052197 275368297 /nfs/dbraw/zinc/36/82/97/275368297.db2.gz BRLATMSJQXZOGR-FUHWJXTLSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052197 275368298 /nfs/dbraw/zinc/36/82/98/275368298.db2.gz BRLATMSJQXZOGR-FUHWJXTLSA-N 2 2 333.863 2.473 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292128039 275380685 /nfs/dbraw/zinc/38/06/85/275380685.db2.gz KXKQYGFFUKFCST-BEFAXECRSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292128039 275380686 /nfs/dbraw/zinc/38/06/86/275380686.db2.gz KXKQYGFFUKFCST-BEFAXECRSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292128039 275380688 /nfs/dbraw/zinc/38/06/88/275380688.db2.gz KXKQYGFFUKFCST-BEFAXECRSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292128039 275380690 /nfs/dbraw/zinc/38/06/90/275380690.db2.gz KXKQYGFFUKFCST-BEFAXECRSA-N 2 2 333.451 2.200 10 0 EEAELP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)Cc1ccccc1 ZINC000151723825 276340628 /nfs/dbraw/zinc/34/06/28/276340628.db2.gz RTDGEZSMGZSRSA-SFHVURJKSA-N 2 2 332.492 2.072 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CCC(C)(C)CC3)C2)CC1 ZINC000369853143 277028258 /nfs/dbraw/zinc/02/82/58/277028258.db2.gz UYLAVFQMHABLKX-INIZCTEOSA-N 2 2 336.524 2.423 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CCC(C)(C)CC3)C2)CC1 ZINC000369853143 277028259 /nfs/dbraw/zinc/02/82/59/277028259.db2.gz UYLAVFQMHABLKX-INIZCTEOSA-N 2 2 336.524 2.423 10 0 EEAELP COc1cccc2c(N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)cc(C)[nH+]c12 ZINC000419007098 278024825 /nfs/dbraw/zinc/02/48/25/278024825.db2.gz RGYVWSLVIUMARN-CABCVRRESA-N 2 2 329.444 2.443 10 0 EEAELP COc1cccc2c(N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)cc(C)[nH+]c12 ZINC000419007098 278024826 /nfs/dbraw/zinc/02/48/26/278024826.db2.gz RGYVWSLVIUMARN-CABCVRRESA-N 2 2 329.444 2.443 10 0 EEAELP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)C(=O)N1CCSc2ccccc21 ZINC000420359998 290032593 /nfs/dbraw/zinc/03/25/93/290032593.db2.gz GOPWYIALICMXLT-XJIUQZFPSA-N 2 2 333.501 2.490 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1NC(C)=O ZINC000449391364 295237051 /nfs/dbraw/zinc/23/70/51/295237051.db2.gz ICBFCULRFXLFRZ-WMLDXEAASA-N 2 2 349.475 2.151 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1NC(C)=O ZINC000449391364 295237055 /nfs/dbraw/zinc/23/70/55/295237055.db2.gz ICBFCULRFXLFRZ-WMLDXEAASA-N 2 2 349.475 2.151 10 0 EEAELP C[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[NH+]1CCSCC1 ZINC000447725824 298195576 /nfs/dbraw/zinc/19/55/76/298195576.db2.gz DTQHFJPWEKVTGH-CZUORRHYSA-N 2 2 349.500 2.448 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422771422 301313659 /nfs/dbraw/zinc/31/36/59/301313659.db2.gz YDDRQCMKENYJDP-SXLOBPIMSA-N 2 2 347.478 2.460 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414126688 312973144 /nfs/dbraw/zinc/97/31/44/312973144.db2.gz OSGMIMRCUVCSHZ-ZDUSSCGKSA-N 2 2 336.461 2.075 10 0 EEAELP CCCn1cc(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000415135127 313120046 /nfs/dbraw/zinc/12/00/46/313120046.db2.gz PUDCFILMIMDIRK-UHFFFAOYSA-N 3 2 341.503 2.376 10 0 EEAELP C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C[NH3+] ZINC000417068914 313412626 /nfs/dbraw/zinc/41/26/26/313412626.db2.gz JQPURPCDTZCHDP-MAUKXSAKSA-N 2 2 341.459 2.058 10 0 EEAELP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000417924387 313651438 /nfs/dbraw/zinc/65/14/38/313651438.db2.gz MEPAMANREBPZGX-RHSMWYFYSA-N 2 2 339.443 2.179 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn21 ZINC000417988461 313678653 /nfs/dbraw/zinc/67/86/53/313678653.db2.gz KFZUMPRWWBUVTI-MZBDJJRSSA-N 2 2 327.432 2.067 10 0 EEAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000429854549 314476042 /nfs/dbraw/zinc/47/60/42/314476042.db2.gz QBLVTRYRKWNCRQ-QGZVFWFLSA-N 2 2 329.419 2.396 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21)C[NH+]1CCCC1 ZINC000530321485 317711905 /nfs/dbraw/zinc/71/19/05/317711905.db2.gz QHJRXZNEDMNYIF-MJGOQNOKSA-N 2 2 340.471 2.296 10 0 EEAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532448603 317865868 /nfs/dbraw/zinc/86/58/68/317865868.db2.gz MTWUVNBPPHBGQL-IBGZPJMESA-N 2 2 339.487 2.208 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000541314486 318096527 /nfs/dbraw/zinc/09/65/27/318096527.db2.gz FUBNMUWLGSOSLG-IRXDYDNUSA-N 2 2 345.491 2.094 10 0 EEAELP CCc1cccnc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542159848 318122999 /nfs/dbraw/zinc/12/29/99/318122999.db2.gz JUUZFKDBIRDESY-ZBFHGGJFSA-N 2 2 341.459 2.219 10 0 EEAELP Cc1ccc(C2CC[NH+](CC(=O)NC(=O)NC3CCCC3)CC2)c[nH+]1 ZINC000543988020 318178110 /nfs/dbraw/zinc/17/81/10/318178110.db2.gz VGIIXXOIJXBFGG-UHFFFAOYSA-N 2 2 344.459 2.338 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1c1ccccc1 ZINC000544622128 318193326 /nfs/dbraw/zinc/19/33/26/318193326.db2.gz RXGDOKNOHMHUMU-PXNSSMCTSA-N 2 2 338.455 2.324 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1c1ccccc1 ZINC000544622128 318193328 /nfs/dbraw/zinc/19/33/28/318193328.db2.gz RXGDOKNOHMHUMU-PXNSSMCTSA-N 2 2 338.455 2.324 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000563363263 319000829 /nfs/dbraw/zinc/00/08/29/319000829.db2.gz GIVTVPLDFURJNB-GOSISDBHSA-N 2 2 348.487 2.040 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000563363263 319000831 /nfs/dbraw/zinc/00/08/31/319000831.db2.gz GIVTVPLDFURJNB-GOSISDBHSA-N 2 2 348.487 2.040 10 0 EEAELP CC[NH+]1CCN(c2ccc(NC(=O)C[NH+]3CC(C)(C)C3)c(C)c2)CC1 ZINC000563369404 319001934 /nfs/dbraw/zinc/00/19/34/319001934.db2.gz KXVGYBUSGYYDPW-UHFFFAOYSA-N 2 2 344.503 2.417 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000564453520 319086367 /nfs/dbraw/zinc/08/63/67/319086367.db2.gz LYEQVNBNLHBDPR-KUHUBIRLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000564453520 319086369 /nfs/dbraw/zinc/08/63/69/319086369.db2.gz LYEQVNBNLHBDPR-KUHUBIRLSA-N 2 2 347.459 2.106 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000565539563 319192306 /nfs/dbraw/zinc/19/23/06/319192306.db2.gz BTZMBNMGJWDZME-FQEVSTJZSA-N 2 2 345.487 2.167 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000565539563 319192309 /nfs/dbraw/zinc/19/23/09/319192309.db2.gz BTZMBNMGJWDZME-FQEVSTJZSA-N 2 2 345.487 2.167 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@H]2C[C@H]2c2ccccc2)C1=O ZINC000574741927 320052619 /nfs/dbraw/zinc/05/26/19/320052619.db2.gz HAPBZNNEQIUXKL-SQNIBIBYSA-N 2 2 338.455 2.304 10 0 EEAELP CC[N@H+](CCCNC(=O)COC1CCC([NH3+])CC1)c1ccccc1 ZINC000575177326 320093184 /nfs/dbraw/zinc/09/31/84/320093184.db2.gz ZYTSTVJDWLKYSH-UHFFFAOYSA-N 2 2 333.476 2.306 10 0 EEAELP CC[N@@H+](CCCNC(=O)COC1CCC([NH3+])CC1)c1ccccc1 ZINC000575177326 320093187 /nfs/dbraw/zinc/09/31/87/320093187.db2.gz ZYTSTVJDWLKYSH-UHFFFAOYSA-N 2 2 333.476 2.306 10 0 EEAELP O=C(NCC1=CC[NH2+]CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000576492777 320177332 /nfs/dbraw/zinc/17/73/32/320177332.db2.gz HEXTYGDSUAFANJ-INIZCTEOSA-N 2 2 343.475 2.028 10 0 EEAELP OC1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580714404 324117739 /nfs/dbraw/zinc/11/77/39/324117739.db2.gz ZXTLSQXBVFVRGW-LJQANCHMSA-N 2 2 343.515 2.230 10 0 EEAELP OC1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580714404 324117741 /nfs/dbraw/zinc/11/77/41/324117741.db2.gz ZXTLSQXBVFVRGW-LJQANCHMSA-N 2 2 343.515 2.230 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000581537658 324274808 /nfs/dbraw/zinc/27/48/08/324274808.db2.gz YFSYMFXAXZYRGQ-DOTOQJQBSA-N 2 2 345.491 2.211 10 0 EEAELP Cc1nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000530429282 447884798 /nfs/dbraw/zinc/88/47/98/447884798.db2.gz XOSANTOCZHWLLM-INIZCTEOSA-N 2 2 326.448 2.180 10 0 EEAELP Cc1nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000530429282 447884802 /nfs/dbraw/zinc/88/48/02/447884802.db2.gz XOSANTOCZHWLLM-INIZCTEOSA-N 2 2 326.448 2.180 10 0 EEAELP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000530429282 447884810 /nfs/dbraw/zinc/88/48/10/447884810.db2.gz XOSANTOCZHWLLM-INIZCTEOSA-N 2 2 326.448 2.180 10 0 EEAELP Cc1nc(N(C)C)nc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000530429282 447884815 /nfs/dbraw/zinc/88/48/15/447884815.db2.gz XOSANTOCZHWLLM-INIZCTEOSA-N 2 2 326.448 2.180 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@H]2CCCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000601201440 449747634 /nfs/dbraw/zinc/74/76/34/449747634.db2.gz ORDGPASQZCWGSJ-OAHLLOKOSA-N 2 2 334.464 2.425 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@H]2CCCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000601201440 449747641 /nfs/dbraw/zinc/74/76/41/449747641.db2.gz ORDGPASQZCWGSJ-OAHLLOKOSA-N 2 2 334.464 2.425 10 0 EEAELP CCc1cc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)nc(C)[nH+]1 ZINC000624708997 450959873 /nfs/dbraw/zinc/95/98/73/450959873.db2.gz ZCCGNBQOMXHVAG-QGZVFWFLSA-N 2 2 327.432 2.055 10 0 EEAELP CCc1cc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)nc(C)[nH+]1 ZINC000624708997 450959878 /nfs/dbraw/zinc/95/98/78/450959878.db2.gz ZCCGNBQOMXHVAG-QGZVFWFLSA-N 2 2 327.432 2.055 10 0 EEAELP Cc1cc(NCCNC(=O)NCCC2CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627111522 451128569 /nfs/dbraw/zinc/12/85/69/451128569.db2.gz RMYKCQPLRDMWOD-UHFFFAOYSA-N 2 2 348.495 2.009 10 0 EEAELP Cc1nc(NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631043184 451549218 /nfs/dbraw/zinc/54/92/18/451549218.db2.gz NBIJPQNCLMHJID-CYBMUJFWSA-N 2 2 332.477 2.131 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000341402525 465148787 /nfs/dbraw/zinc/14/87/87/465148787.db2.gz MRURFGQYRUBSNV-IRXDYDNUSA-N 2 2 348.491 2.370 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000339223899 465149324 /nfs/dbraw/zinc/14/93/24/465149324.db2.gz FNZPZMJZTKQWFQ-GOSISDBHSA-N 2 2 329.444 2.466 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000339223899 465149328 /nfs/dbraw/zinc/14/93/28/465149328.db2.gz FNZPZMJZTKQWFQ-GOSISDBHSA-N 2 2 329.444 2.466 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000341558940 465230821 /nfs/dbraw/zinc/23/08/21/465230821.db2.gz PNCUSKUTDCXOAM-HZPDHXFCSA-N 2 2 333.480 2.493 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000358661865 465249547 /nfs/dbraw/zinc/24/95/47/465249547.db2.gz IFBPZVTZBLAAGM-SJORKVTESA-N 2 2 331.464 2.128 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000358661865 465249549 /nfs/dbraw/zinc/24/95/49/465249549.db2.gz IFBPZVTZBLAAGM-SJORKVTESA-N 2 2 331.464 2.128 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3cccc(O)c3Cl)CC2)cc[nH+]1 ZINC000351641839 465267964 /nfs/dbraw/zinc/26/79/64/465267964.db2.gz RFTKIQCEKHRNAZ-UHFFFAOYSA-N 2 2 347.850 2.224 10 0 EEAELP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000453105606 467461137 /nfs/dbraw/zinc/46/11/37/467461137.db2.gz XGNLBJQTEHXXQQ-NOZJJQNGSA-N 2 2 331.229 2.088 10 0 EEAELP COC(=O)[C@H](CC(C)C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000351845559 465395488 /nfs/dbraw/zinc/39/54/88/465395488.db2.gz UFJOZZSBYXBTIP-BZSNNMDCSA-N 2 2 339.524 2.065 10 0 EEAELP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)n1cc[nH+]c1 ZINC000065937399 462841181 /nfs/dbraw/zinc/84/11/81/462841181.db2.gz XUEFFFPSKKSQOH-CYBMUJFWSA-N 2 2 336.386 2.313 10 0 EEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[NH+]3C)CC[N@H+]2C2CC2)c1 ZINC000155744102 462937006 /nfs/dbraw/zinc/93/70/06/462937006.db2.gz AMXMIMLTGHYNFA-CEXWTWQISA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000155744102 462937009 /nfs/dbraw/zinc/93/70/09/462937009.db2.gz AMXMIMLTGHYNFA-CEXWTWQISA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000155744102 462937014 /nfs/dbraw/zinc/93/70/14/462937014.db2.gz AMXMIMLTGHYNFA-CEXWTWQISA-N 2 2 343.471 2.183 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000521663790 468327951 /nfs/dbraw/zinc/32/79/51/468327951.db2.gz KEBYZXDBEYGKGE-BBWFWOEESA-N 2 2 347.507 2.360 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000521663790 468327956 /nfs/dbraw/zinc/32/79/56/468327956.db2.gz KEBYZXDBEYGKGE-BBWFWOEESA-N 2 2 347.507 2.360 10 0 EEAELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000156270660 463000423 /nfs/dbraw/zinc/00/04/23/463000423.db2.gz WJZDKTQKIDODJC-OAHLLOKOSA-N 2 2 349.442 2.377 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000052523599 463086599 /nfs/dbraw/zinc/08/65/99/463086599.db2.gz AVYKYKFVSRFCFI-KRWDZBQOSA-N 2 2 345.491 2.355 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000052523599 463086602 /nfs/dbraw/zinc/08/66/02/463086602.db2.gz AVYKYKFVSRFCFI-KRWDZBQOSA-N 2 2 345.491 2.355 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000157219137 463109165 /nfs/dbraw/zinc/10/91/65/463109165.db2.gz VDYHHMAFNYAUSZ-IPMKNSEASA-N 2 2 349.519 2.107 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000157219137 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EEAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000350324043 466462173 /nfs/dbraw/zinc/46/21/73/466462173.db2.gz XEPRHWQAFXEUMG-IBGZPJMESA-N 2 2 331.504 2.161 10 0 EEAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000350324043 466462179 /nfs/dbraw/zinc/46/21/79/466462179.db2.gz XEPRHWQAFXEUMG-IBGZPJMESA-N 2 2 331.504 2.161 10 0 EEAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000350324043 466462182 /nfs/dbraw/zinc/46/21/82/466462182.db2.gz XEPRHWQAFXEUMG-IBGZPJMESA-N 2 2 331.504 2.161 10 0 EEAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000350324045 466462303 /nfs/dbraw/zinc/46/23/03/466462303.db2.gz XEPRHWQAFXEUMG-LJQANCHMSA-N 2 2 331.504 2.161 10 0 EEAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCN2CCOC[C@H]2C1 ZINC000350324045 466462310 /nfs/dbraw/zinc/46/23/10/466462310.db2.gz XEPRHWQAFXEUMG-LJQANCHMSA-N 2 2 331.504 2.161 10 0 EEAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000350324045 466462316 /nfs/dbraw/zinc/46/23/16/466462316.db2.gz XEPRHWQAFXEUMG-LJQANCHMSA-N 2 2 331.504 2.161 10 0 EEAELP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000350324045 466462323 /nfs/dbraw/zinc/46/23/23/466462323.db2.gz XEPRHWQAFXEUMG-LJQANCHMSA-N 2 2 331.504 2.161 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(S(C)(=O)=O)CC1 ZINC000367706909 466509072 /nfs/dbraw/zinc/50/90/72/466509072.db2.gz KNDLWWSASGOPSR-AWEZNQCLSA-N 2 2 328.522 2.339 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2cc(Br)cc3c2OCC3)c1 ZINC000313258441 466540250 /nfs/dbraw/zinc/54/02/50/466540250.db2.gz XSEWMLLQTMGDNK-UHFFFAOYSA-N 2 2 336.233 2.450 10 0 EEAELP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332691860 466553008 /nfs/dbraw/zinc/55/30/08/466553008.db2.gz UFMSTYKDDAERJI-HZPDHXFCSA-N 2 2 333.480 2.052 10 0 EEAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332691860 466553015 /nfs/dbraw/zinc/55/30/15/466553015.db2.gz UFMSTYKDDAERJI-HZPDHXFCSA-N 2 2 333.480 2.052 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)CCC2 ZINC000332718546 466556719 /nfs/dbraw/zinc/55/67/19/466556719.db2.gz VHLBCRWZKNJCJA-KBMXLJTQSA-N 2 2 333.480 2.051 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)CCC2 ZINC000332718546 466556723 /nfs/dbraw/zinc/55/67/23/466556723.db2.gz VHLBCRWZKNJCJA-KBMXLJTQSA-N 2 2 333.480 2.051 10 0 EEAELP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000423912754 466905914 /nfs/dbraw/zinc/90/59/14/466905914.db2.gz JBGHYQVJBLQCJW-CXAGYDPISA-N 2 2 335.879 2.202 10 0 EEAELP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000423912754 466905918 /nfs/dbraw/zinc/90/59/18/466905918.db2.gz JBGHYQVJBLQCJW-CXAGYDPISA-N 2 2 335.879 2.202 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418268953 467086933 /nfs/dbraw/zinc/08/69/33/467086933.db2.gz YOTYJDBLIAKNAH-IUODEOHRSA-N 2 2 347.850 2.323 10 0 EEAELP CC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000418330129 467093107 /nfs/dbraw/zinc/09/31/07/467093107.db2.gz VESOAUJVCBPVFN-UHFFFAOYSA-N 2 2 338.883 2.085 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418727193 467151002 /nfs/dbraw/zinc/15/10/02/467151002.db2.gz PATFPIPUDOFTPJ-YDHLFZDLSA-N 2 2 329.448 2.254 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378065647 467189476 /nfs/dbraw/zinc/18/94/76/467189476.db2.gz BHBUYFZQQXDKED-INIZCTEOSA-N 2 2 341.459 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378065647 467189478 /nfs/dbraw/zinc/18/94/78/467189478.db2.gz BHBUYFZQQXDKED-INIZCTEOSA-N 2 2 341.459 2.218 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378065647 467189480 /nfs/dbraw/zinc/18/94/80/467189480.db2.gz BHBUYFZQQXDKED-INIZCTEOSA-N 2 2 341.459 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378065647 467189482 /nfs/dbraw/zinc/18/94/82/467189482.db2.gz BHBUYFZQQXDKED-INIZCTEOSA-N 2 2 341.459 2.218 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000378068083 467190556 /nfs/dbraw/zinc/19/05/56/467190556.db2.gz IZYHWPXBFZYYIZ-JKSUJKDBSA-N 2 2 347.850 2.318 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000378068083 467190557 /nfs/dbraw/zinc/19/05/57/467190557.db2.gz IZYHWPXBFZYYIZ-JKSUJKDBSA-N 2 2 347.850 2.318 10 0 EEAELP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000429553843 467345625 /nfs/dbraw/zinc/34/56/25/467345625.db2.gz QNBMUJKGBXFAHK-KRWDZBQOSA-N 2 2 328.460 2.039 10 0 EEAELP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000429553843 467345629 /nfs/dbraw/zinc/34/56/29/467345629.db2.gz QNBMUJKGBXFAHK-KRWDZBQOSA-N 2 2 328.460 2.039 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379656952 467368794 /nfs/dbraw/zinc/36/87/94/467368794.db2.gz QXSQXLVSJRXSLJ-HOJAQTOUSA-N 2 2 331.504 2.398 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420374879 467383574 /nfs/dbraw/zinc/38/35/74/467383574.db2.gz OCGQIYSCRZMHHG-IBGZPJMESA-N 2 2 347.528 2.279 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420374879 467383577 /nfs/dbraw/zinc/38/35/77/467383577.db2.gz OCGQIYSCRZMHHG-IBGZPJMESA-N 2 2 347.528 2.279 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420379477 467386084 /nfs/dbraw/zinc/38/60/84/467386084.db2.gz RCWDPGCXNFOUGY-JXFKEZNVSA-N 2 2 345.487 2.290 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420379477 467386087 /nfs/dbraw/zinc/38/60/87/467386087.db2.gz RCWDPGCXNFOUGY-JXFKEZNVSA-N 2 2 345.487 2.290 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386262 467389472 /nfs/dbraw/zinc/38/94/72/467389472.db2.gz VIBWANRDWVDOCO-XLIONFOSSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386262 467389474 /nfs/dbraw/zinc/38/94/74/467389474.db2.gz VIBWANRDWVDOCO-XLIONFOSSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389465 467635549 /nfs/dbraw/zinc/63/55/49/467635549.db2.gz DBFJFJQXDYDXEJ-LJQANCHMSA-N 2 2 342.487 2.426 10 0 EEAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389465 467635551 /nfs/dbraw/zinc/63/55/51/467635551.db2.gz DBFJFJQXDYDXEJ-LJQANCHMSA-N 2 2 342.487 2.426 10 0 EEAELP Cc1[nH+]ccn1CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000457582488 467656140 /nfs/dbraw/zinc/65/61/40/467656140.db2.gz DKIQKPNXFXWOJA-HUUCEWRRSA-N 2 2 342.443 2.439 10 0 EEAELP CC(C)c1nocc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000528677401 467725500 /nfs/dbraw/zinc/72/55/00/467725500.db2.gz HNNNXZLIXVIZQV-UHFFFAOYSA-N 2 2 348.491 2.478 10 0 EEAELP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458595 467853539 /nfs/dbraw/zinc/85/35/39/467853539.db2.gz YKQTZSXLQJUMAW-PMACEKPBSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458595 467853541 /nfs/dbraw/zinc/85/35/41/467853541.db2.gz YKQTZSXLQJUMAW-PMACEKPBSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450458595 467853543 /nfs/dbraw/zinc/85/35/43/467853543.db2.gz YKQTZSXLQJUMAW-PMACEKPBSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450458595 467853545 /nfs/dbraw/zinc/85/35/45/467853545.db2.gz YKQTZSXLQJUMAW-PMACEKPBSA-N 2 2 330.472 2.315 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000529831311 467915827 /nfs/dbraw/zinc/91/58/27/467915827.db2.gz FUMQBXFHHHXXOP-PKOBYXMFSA-N 2 2 343.471 2.013 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000529831311 467915834 /nfs/dbraw/zinc/91/58/34/467915834.db2.gz FUMQBXFHHHXXOP-PKOBYXMFSA-N 2 2 343.471 2.013 10 0 EEAELP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000529831311 467915839 /nfs/dbraw/zinc/91/58/39/467915839.db2.gz FUMQBXFHHHXXOP-PKOBYXMFSA-N 2 2 343.471 2.013 10 0 EEAELP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000529831311 467915843 /nfs/dbraw/zinc/91/58/43/467915843.db2.gz FUMQBXFHHHXXOP-PKOBYXMFSA-N 2 2 343.471 2.013 10 0 EEAELP CCc1ccc([C@H](C[NH+]2CCOCC2)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216097 467963847 /nfs/dbraw/zinc/96/38/47/467963847.db2.gz MNJVHDWZYXOACU-PMACEKPBSA-N 2 2 343.515 2.497 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1cccc2ccccc21 ZINC000516762863 468045248 /nfs/dbraw/zinc/04/52/48/468045248.db2.gz SZRGSSFPNRPOEO-HZPDHXFCSA-N 2 2 337.423 2.450 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)COc1cccc2ccccc21 ZINC000516762863 468045249 /nfs/dbraw/zinc/04/52/49/468045249.db2.gz SZRGSSFPNRPOEO-HZPDHXFCSA-N 2 2 337.423 2.450 10 0 EEAELP COCC[N@H+](C)CCOc1cccc(CNc2nc(C)[nH+]cc2C)c1 ZINC000566478608 468153299 /nfs/dbraw/zinc/15/32/99/468153299.db2.gz PJKNYZNLWWLRBQ-UHFFFAOYSA-N 2 2 344.459 2.663 10 0 EEAELP COCC[N@@H+](C)CCOc1cccc(CNc2nc(C)[nH+]cc2C)c1 ZINC000566478608 468153304 /nfs/dbraw/zinc/15/33/04/468153304.db2.gz PJKNYZNLWWLRBQ-UHFFFAOYSA-N 2 2 344.459 2.663 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccncc1 ZINC000533759275 468222753 /nfs/dbraw/zinc/22/27/53/468222753.db2.gz SIVWMERTKINBMG-KRWDZBQOSA-N 2 2 349.438 2.265 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccncc1 ZINC000533759275 468222760 /nfs/dbraw/zinc/22/27/60/468222760.db2.gz SIVWMERTKINBMG-KRWDZBQOSA-N 2 2 349.438 2.265 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000591869487 468537038 /nfs/dbraw/zinc/53/70/38/468537038.db2.gz ZUAPCPPLPKCCHC-ZIAGYGMSSA-N 2 2 344.381 2.321 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000591869487 468537043 /nfs/dbraw/zinc/53/70/43/468537043.db2.gz ZUAPCPPLPKCCHC-ZIAGYGMSSA-N 2 2 344.381 2.321 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000556694219 468548913 /nfs/dbraw/zinc/54/89/13/468548913.db2.gz ODPQLTIGGGLYSM-HNNXBMFYSA-N 2 2 339.443 2.003 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000556694219 468548917 /nfs/dbraw/zinc/54/89/17/468548917.db2.gz ODPQLTIGGGLYSM-HNNXBMFYSA-N 2 2 339.443 2.003 10 0 EEAELP Cc1cccn2cc(CN3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)[nH+]c12 ZINC000600645810 468609866 /nfs/dbraw/zinc/60/98/66/468609866.db2.gz OBWKYWDBMCIIQE-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccn2cc(CN3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)[nH+]c12 ZINC000600645810 468609867 /nfs/dbraw/zinc/60/98/67/468609867.db2.gz OBWKYWDBMCIIQE-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000570814885 468697569 /nfs/dbraw/zinc/69/75/69/468697569.db2.gz VCJMOCVAXCGWAB-QGZVFWFLSA-N 2 2 347.507 2.459 10 0 EEAELP CC(C)(C)OC(=O)C1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCOCC1 ZINC000594948811 468728680 /nfs/dbraw/zinc/72/86/80/468728680.db2.gz BFPVLFNHAFISTD-UHFFFAOYSA-N 2 2 335.448 2.057 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000583820688 468761266 /nfs/dbraw/zinc/76/12/66/468761266.db2.gz MUVWGNLMRDPULF-FUHWJXTLSA-N 2 2 338.455 2.403 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000583820688 468761271 /nfs/dbraw/zinc/76/12/71/468761271.db2.gz MUVWGNLMRDPULF-FUHWJXTLSA-N 2 2 338.455 2.403 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601219730 468786557 /nfs/dbraw/zinc/78/65/57/468786557.db2.gz FLAIPJCXYXXQKC-MRXNPFEDSA-N 2 2 341.459 2.223 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000601219730 468786562 /nfs/dbraw/zinc/78/65/62/468786562.db2.gz FLAIPJCXYXXQKC-MRXNPFEDSA-N 2 2 341.459 2.223 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000584227582 468824565 /nfs/dbraw/zinc/82/45/65/468824565.db2.gz XQUADZCHGJFJTO-HKUYNNGSSA-N 2 2 329.444 2.007 10 0 EEAELP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000584771548 468932050 /nfs/dbraw/zinc/93/20/50/468932050.db2.gz OZIYTCIDPHPRIV-LBPRGKRZSA-N 2 2 332.473 2.363 10 0 EEAELP Cc1cn2cc(NC(=O)N(C)CC[N@@H+]3CCOC(C)(C)C3)ccc2[nH+]1 ZINC000562425733 468956068 /nfs/dbraw/zinc/95/60/68/468956068.db2.gz OWOWRIDEQBXIHM-UHFFFAOYSA-N 2 2 345.447 2.217 10 0 EEAELP Cc1cn2cc(NC(=O)N(C)CC[N@H+]3CCOC(C)(C)C3)ccc2[nH+]1 ZINC000562425733 468956073 /nfs/dbraw/zinc/95/60/73/468956073.db2.gz OWOWRIDEQBXIHM-UHFFFAOYSA-N 2 2 345.447 2.217 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000562795568 469073270 /nfs/dbraw/zinc/07/32/70/469073270.db2.gz NPARSOIDVDHORU-OAHLLOKOSA-N 2 2 329.448 2.034 10 0 EEAELP [NH3+]CCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000563106130 469171309 /nfs/dbraw/zinc/17/13/09/469171309.db2.gz VWOULGOPMOODNQ-AWEZNQCLSA-N 2 2 340.265 2.051 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000596169970 469183728 /nfs/dbraw/zinc/18/37/28/469183728.db2.gz MKYDNXXCTYWUFK-RDJZCZTQSA-N 2 2 329.444 2.250 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000596169970 469183733 /nfs/dbraw/zinc/18/37/33/469183733.db2.gz MKYDNXXCTYWUFK-RDJZCZTQSA-N 2 2 329.444 2.250 10 0 EEAELP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000573890987 469224303 /nfs/dbraw/zinc/22/43/03/469224303.db2.gz WFNDPCDGXVCMHH-QGZVFWFLSA-N 2 2 329.444 2.180 10 0 EEAELP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000573890987 469224307 /nfs/dbraw/zinc/22/43/07/469224307.db2.gz WFNDPCDGXVCMHH-QGZVFWFLSA-N 2 2 329.444 2.180 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000625838168 469406224 /nfs/dbraw/zinc/40/62/24/469406224.db2.gz YUKJZMGSAJKOOM-MBNYWOFBSA-N 2 2 337.493 2.247 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000625838168 469406227 /nfs/dbraw/zinc/40/62/27/469406227.db2.gz YUKJZMGSAJKOOM-MBNYWOFBSA-N 2 2 337.493 2.247 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331307 469470150 /nfs/dbraw/zinc/47/01/50/469470150.db2.gz DCKGLLACLNPAQL-APWZRJJASA-N 2 2 344.503 2.202 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331307 469470154 /nfs/dbraw/zinc/47/01/54/469470154.db2.gz DCKGLLACLNPAQL-APWZRJJASA-N 2 2 344.503 2.202 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629660373 469600996 /nfs/dbraw/zinc/60/09/96/469600996.db2.gz SLAONZNEPFEBHV-PKOBYXMFSA-N 3 2 330.520 2.449 10 0 EEAELP COc1cccc([C@H]2[C@@H](NC(=O)C3([NH+](C)C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000613313542 469685256 /nfs/dbraw/zinc/68/52/56/469685256.db2.gz OGBNMMXXAICXTB-ROUUACIJSA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@H]2[C@@H](NC(=O)C3([NH+](C)C)CC3)CC[N@H+]2C2CC2)c1 ZINC000613313542 469685260 /nfs/dbraw/zinc/68/52/60/469685260.db2.gz OGBNMMXXAICXTB-ROUUACIJSA-N 2 2 343.471 2.183 10 0 EEAELP CCC(CC)[C@H](C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCOCC1 ZINC000607906639 469724142 /nfs/dbraw/zinc/72/41/42/469724142.db2.gz MZUSCGLGVKQIHP-QGZVFWFLSA-N 2 2 330.432 2.410 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626923065 469755592 /nfs/dbraw/zinc/75/55/92/469755592.db2.gz KNNVAWIKQJRKJZ-ZFWWWQNUSA-N 2 2 329.448 2.175 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1OC(F)(F)F ZINC000617765174 469796006 /nfs/dbraw/zinc/79/60/06/469796006.db2.gz WIPXNOGFYAJXIQ-UHFFFAOYSA-N 2 2 347.381 2.199 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1OC(F)(F)F ZINC000617765174 469796008 /nfs/dbraw/zinc/79/60/08/469796008.db2.gz WIPXNOGFYAJXIQ-UHFFFAOYSA-N 2 2 347.381 2.199 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CCCc3scnc32)C1=O ZINC000623958255 469806153 /nfs/dbraw/zinc/80/61/53/469806153.db2.gz HAPZAWMBFKAXAP-OLZOCXBDSA-N 2 2 345.472 2.035 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H]2CCCc3scnc32)C1=O ZINC000623958254 469806406 /nfs/dbraw/zinc/80/64/06/469806406.db2.gz HAPZAWMBFKAXAP-CHWSQXEVSA-N 2 2 345.472 2.035 10 0 EEAELP C[N@H+](CCCO)C1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623974726 469809950 /nfs/dbraw/zinc/80/99/50/469809950.db2.gz NVLMUJYHHQYJND-UHFFFAOYSA-N 2 2 339.443 2.166 10 0 EEAELP C[N@@H+](CCCO)C1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623974726 469809955 /nfs/dbraw/zinc/80/99/55/469809955.db2.gz NVLMUJYHHQYJND-UHFFFAOYSA-N 2 2 339.443 2.166 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C[NH2+]1 ZINC000627193346 469839109 /nfs/dbraw/zinc/83/91/09/469839109.db2.gz IHOIJBMNJPICLG-KRWUTGMMSA-N 2 2 342.487 2.168 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000624133739 469850904 /nfs/dbraw/zinc/85/09/04/469850904.db2.gz VPHGFJAKTGTERF-GWCFXTLKSA-N 2 2 328.254 2.425 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000624133739 469850910 /nfs/dbraw/zinc/85/09/10/469850910.db2.gz VPHGFJAKTGTERF-GWCFXTLKSA-N 2 2 328.254 2.425 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000624473878 469948201 /nfs/dbraw/zinc/94/82/01/469948201.db2.gz VMDVAGPIMGBYAF-ZWKOTPCHSA-N 2 2 340.471 2.043 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000628062769 470049763 /nfs/dbraw/zinc/04/97/63/470049763.db2.gz PDJPXXSPBMVHFE-ROUUACIJSA-N 2 2 335.467 2.319 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1 ZINC000628062769 470049765 /nfs/dbraw/zinc/04/97/65/470049765.db2.gz PDJPXXSPBMVHFE-ROUUACIJSA-N 2 2 335.467 2.319 10 0 EEAELP CCN(CC)C(=O)C[NH+]1CCC(Nc2[nH+]c(C)nc3[nH]ccc32)CC1 ZINC000631316928 470118738 /nfs/dbraw/zinc/11/87/38/470118738.db2.gz RKHISTFTENGDQY-UHFFFAOYSA-N 2 2 344.463 2.011 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000648722630 470325449 /nfs/dbraw/zinc/32/54/49/470325449.db2.gz BXKJPUBLTZQECG-BZUAXINKSA-N 2 2 336.480 2.012 10 0 EEAELP COC1CC[NH+](C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CCCC2)CC1 ZINC000635539181 470642150 /nfs/dbraw/zinc/64/21/50/470642150.db2.gz NSEQBGNQRSWPCL-HZPDHXFCSA-N 2 2 346.475 2.053 10 0 EEAELP COC1CC[NH+](C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCCC2)CC1 ZINC000635539181 470642156 /nfs/dbraw/zinc/64/21/56/470642156.db2.gz NSEQBGNQRSWPCL-HZPDHXFCSA-N 2 2 346.475 2.053 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644548251 470979554 /nfs/dbraw/zinc/97/95/54/470979554.db2.gz WWKPLIAYUJGMHB-RYUDHWBXSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644548251 470979559 /nfs/dbraw/zinc/97/95/59/470979559.db2.gz WWKPLIAYUJGMHB-RYUDHWBXSA-N 2 2 333.259 2.417 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CO[C@H]1CCCc2ccccc21 ZINC000644651020 471005040 /nfs/dbraw/zinc/00/50/40/471005040.db2.gz MGMWCEYMCSILGV-QINHECLXSA-N 2 2 341.455 2.312 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)CO[C@H]1CCCc2ccccc21 ZINC000644651020 471005043 /nfs/dbraw/zinc/00/50/43/471005043.db2.gz MGMWCEYMCSILGV-QINHECLXSA-N 2 2 341.455 2.312 10 0 EEAELP C[NH+](C)Cc1ccccc1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651023191 471027343 /nfs/dbraw/zinc/02/73/43/471027343.db2.gz GXANTUPXBGJVRB-UHFFFAOYSA-N 2 2 326.444 2.140 10 0 EEAELP C[C@H](Cc1cnccn1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000651297770 471119769 /nfs/dbraw/zinc/11/97/69/471119769.db2.gz XBLMBGCBCFVDLR-XLIONFOSSA-N 2 2 340.471 2.024 10 0 EEAELP C[C@H](Cc1cnccn1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000651297770 471119774 /nfs/dbraw/zinc/11/97/74/471119774.db2.gz XBLMBGCBCFVDLR-XLIONFOSSA-N 2 2 340.471 2.024 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000657573685 471172116 /nfs/dbraw/zinc/17/21/16/471172116.db2.gz OMDRFORDJLFRGZ-ZJOUEHCJSA-N 3 2 346.563 2.369 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000657573685 471172121 /nfs/dbraw/zinc/17/21/21/471172121.db2.gz OMDRFORDJLFRGZ-ZJOUEHCJSA-N 3 2 346.563 2.369 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CC4CCC3CC4)C2)CC1 ZINC000645234453 471187038 /nfs/dbraw/zinc/18/70/38/471187038.db2.gz SIOQQBCONOPZDG-OPQOLIRYSA-N 2 2 348.535 2.280 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CC4CCC3CC4)C2)CC1 ZINC000645234453 471187045 /nfs/dbraw/zinc/18/70/45/471187045.db2.gz SIOQQBCONOPZDG-OPQOLIRYSA-N 2 2 348.535 2.280 10 0 EEAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000657855420 471241339 /nfs/dbraw/zinc/24/13/39/471241339.db2.gz LHUUTUXKUMLWIW-GOSISDBHSA-N 2 2 346.471 2.199 10 0 EEAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341935 471290373 /nfs/dbraw/zinc/29/03/73/471290373.db2.gz KWYBSGYXGUMXAX-QAPCUYQASA-N 2 2 327.476 2.185 10 0 EEAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341935 471290374 /nfs/dbraw/zinc/29/03/74/471290374.db2.gz KWYBSGYXGUMXAX-QAPCUYQASA-N 2 2 327.476 2.185 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663374964 471346676 /nfs/dbraw/zinc/34/66/76/471346676.db2.gz INNVSKLCQWKHNE-VDGAXYAQSA-N 2 2 328.456 2.191 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663374964 471346680 /nfs/dbraw/zinc/34/66/80/471346680.db2.gz INNVSKLCQWKHNE-VDGAXYAQSA-N 2 2 328.456 2.191 10 0 EEAELP CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000663524230 471411355 /nfs/dbraw/zinc/41/13/55/471411355.db2.gz ULWOMLIIORLYKU-IAGOWNOFSA-N 2 2 341.459 2.245 10 0 EEAELP CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000663524230 471411369 /nfs/dbraw/zinc/41/13/69/471411369.db2.gz ULWOMLIIORLYKU-IAGOWNOFSA-N 2 2 341.459 2.245 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(C)c1Br ZINC000663535440 471415761 /nfs/dbraw/zinc/41/57/61/471415761.db2.gz ZQLMKXFKCYZMTO-LBPRGKRZSA-N 2 2 343.269 2.379 10 0 EEAELP COCC[N@H+]1CCC[C@H]1CNc1nc(C)[nH+]c(C)c1Br ZINC000663535440 471415766 /nfs/dbraw/zinc/41/57/66/471415766.db2.gz ZQLMKXFKCYZMTO-LBPRGKRZSA-N 2 2 343.269 2.379 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@@H+]3CCOC[C@H]3C)c2cc1OC ZINC000663544503 471418717 /nfs/dbraw/zinc/41/87/17/471418717.db2.gz KAHJQWDLRNJDJO-CYBMUJFWSA-N 2 2 331.416 2.385 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@H+]3CCOC[C@H]3C)c2cc1OC ZINC000663544503 471418723 /nfs/dbraw/zinc/41/87/23/471418723.db2.gz KAHJQWDLRNJDJO-CYBMUJFWSA-N 2 2 331.416 2.385 10 0 EEAELP C[C@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000658952279 471447619 /nfs/dbraw/zinc/44/76/19/471447619.db2.gz PJPQJXPORQFWNY-KBRIMQKVSA-N 2 2 330.407 2.317 10 0 EEAELP c1cn(Cc2ccccc2)nc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655766484 471475563 /nfs/dbraw/zinc/47/55/63/471475563.db2.gz RPAJONMCLOUUTI-HXUWFJFHSA-N 2 2 340.471 2.274 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659045988 471486649 /nfs/dbraw/zinc/48/66/49/471486649.db2.gz LKVWREUKZQHPTJ-QGZVFWFLSA-N 2 2 342.399 2.073 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)c1 ZINC000653105955 471489117 /nfs/dbraw/zinc/48/91/17/471489117.db2.gz NYORLMNHCLTCJG-OALUTQOASA-N 2 2 327.472 2.170 10 0 EEAELP C[C@@H](c1ccc(NC(=O)CC(F)(F)C[NH3+])cc1)[NH+]1CCOCC1 ZINC000653117508 471496502 /nfs/dbraw/zinc/49/65/02/471496502.db2.gz NUAZWOKLTFIJCU-LBPRGKRZSA-N 2 2 327.375 2.002 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653149786 471508804 /nfs/dbraw/zinc/50/88/04/471508804.db2.gz FQDHEVGNBGTZOS-HOTGVXAUSA-N 2 2 333.451 2.421 10 0 EEAELP COc1cc(C)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000666761282 471526487 /nfs/dbraw/zinc/52/64/87/471526487.db2.gz UTJLDYAYKNBRDD-UHFFFAOYSA-N 2 2 340.443 2.148 10 0 EEAELP COc1cc(C)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000666761282 471526489 /nfs/dbraw/zinc/52/64/89/471526489.db2.gz UTJLDYAYKNBRDD-UHFFFAOYSA-N 2 2 340.443 2.148 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000669552087 471547635 /nfs/dbraw/zinc/54/76/35/471547635.db2.gz WEUQDOFJKOOJTP-WKPIXPDZSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000669552087 471547639 /nfs/dbraw/zinc/54/76/39/471547639.db2.gz WEUQDOFJKOOJTP-WKPIXPDZSA-N 2 2 342.846 2.261 10 0 EEAELP CCS(=O)(=O)c1ccc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000664196300 471672730 /nfs/dbraw/zinc/67/27/30/471672730.db2.gz RLHQJKXDBZJSLC-HNNXBMFYSA-N 2 2 341.521 2.164 10 0 EEAELP CCS(=O)(=O)c1ccc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000664196300 471672737 /nfs/dbraw/zinc/67/27/37/471672737.db2.gz RLHQJKXDBZJSLC-HNNXBMFYSA-N 2 2 341.521 2.164 10 0 EEAELP COc1ccc(-c2ccnc(NCC[N@H+](C)CCC[NH+](C)C)n2)cc1 ZINC000664246397 471694496 /nfs/dbraw/zinc/69/44/96/471694496.db2.gz ZFWZWDZWISFJTK-UHFFFAOYSA-N 2 2 343.475 2.448 10 0 EEAELP COc1ccc(-c2ccnc(NCC[N@@H+](C)CCC[NH+](C)C)n2)cc1 ZINC000664246397 471694503 /nfs/dbraw/zinc/69/45/03/471694503.db2.gz ZFWZWDZWISFJTK-UHFFFAOYSA-N 2 2 343.475 2.448 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000653848210 471760213 /nfs/dbraw/zinc/76/02/13/471760213.db2.gz YBUYEAKKNVMLHX-ZDUSSCGKSA-N 2 2 332.366 2.477 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1 ZINC000653848210 471760214 /nfs/dbraw/zinc/76/02/14/471760214.db2.gz YBUYEAKKNVMLHX-ZDUSSCGKSA-N 2 2 332.366 2.477 10 0 EEAELP C[C@H]1C[C@H](CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H](C)C1 ZINC000664537522 471786588 /nfs/dbraw/zinc/78/65/88/471786588.db2.gz NQZIDFWXXKTEEF-FVQHAEBGSA-N 2 2 338.540 2.384 10 0 EEAELP COc1ccc(COC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656703620 471812591 /nfs/dbraw/zinc/81/25/91/471812591.db2.gz YXWFSTGYFXHPQF-SJORKVTESA-N 2 2 336.476 2.035 10 0 EEAELP COc1ccc(COC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656703620 471812596 /nfs/dbraw/zinc/81/25/96/471812596.db2.gz YXWFSTGYFXHPQF-SJORKVTESA-N 2 2 336.476 2.035 10 0 EEAELP C[NH+](C)CCC[C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000664654893 471824548 /nfs/dbraw/zinc/82/45/48/471824548.db2.gz WVCYFODLPIZODQ-MRXNPFEDSA-N 2 2 333.480 2.014 10 0 EEAELP C[NH+](C)CCC[C@@H]1CN(c2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000664654893 471824552 /nfs/dbraw/zinc/82/45/52/471824552.db2.gz WVCYFODLPIZODQ-MRXNPFEDSA-N 2 2 333.480 2.014 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000656854893 471865460 /nfs/dbraw/zinc/86/54/60/471865460.db2.gz WUKSYZXPKWXBET-UHFFFAOYSA-N 3 2 328.460 2.227 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCC2=CCCC2)([NH+]2CCCCC2)CC1 ZINC000661963947 471941042 /nfs/dbraw/zinc/94/10/42/471941042.db2.gz HXEXJOQUHYQACB-UHFFFAOYSA-N 2 2 334.508 2.346 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000662364355 472085456 /nfs/dbraw/zinc/08/54/56/472085456.db2.gz HMWKRNLMGFSHJU-JSGCOSHPSA-N 2 2 340.493 2.066 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000662364355 472085459 /nfs/dbraw/zinc/08/54/59/472085459.db2.gz HMWKRNLMGFSHJU-JSGCOSHPSA-N 2 2 340.493 2.066 10 0 EEAELP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665562032 472094278 /nfs/dbraw/zinc/09/42/78/472094278.db2.gz GVVMDDADBDXAGE-HNNXBMFYSA-N 2 2 338.455 2.427 10 0 EEAELP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665562032 472094281 /nfs/dbraw/zinc/09/42/81/472094281.db2.gz GVVMDDADBDXAGE-HNNXBMFYSA-N 2 2 338.455 2.427 10 0 EEAELP C[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)CC1C[NH+](C)C1 ZINC000668537443 472163239 /nfs/dbraw/zinc/16/32/39/472163239.db2.gz GQNSGZPEVVNQAI-UHFFFAOYSA-N 2 2 341.249 2.214 10 0 EEAELP C[N@H+](Cc1cc(Br)c2c(c1)OCCO2)CC1C[NH+](C)C1 ZINC000668537443 472163247 /nfs/dbraw/zinc/16/32/47/472163247.db2.gz GQNSGZPEVVNQAI-UHFFFAOYSA-N 2 2 341.249 2.214 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC2C[NH+](C)C2)CC1 ZINC000668539893 472164718 /nfs/dbraw/zinc/16/47/18/472164718.db2.gz PHURLZGVQPGLHU-UHFFFAOYSA-N 3 2 330.520 2.212 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC2C[NH+](C)C2)CC1 ZINC000668539893 472164723 /nfs/dbraw/zinc/16/47/23/472164723.db2.gz PHURLZGVQPGLHU-UHFFFAOYSA-N 3 2 330.520 2.212 10 0 EEAELP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cnc(-c4ccncc4)s3)CC2)C1 ZINC000668739389 472247607 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XKPNLNGGPRKREL-IDENBPMYSA-N 2 2 345.487 2.192 10 0 EEAELP CO[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)[C@@](C)(C[NH3+])C1 ZINC000630360744 485751640 /nfs/dbraw/zinc/75/16/40/485751640.db2.gz KKSAYTNTTNRYEC-LSDHHAIUSA-N 2 2 343.265 2.266 10 0 EEAELP CO[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2)[C@@](C)(C[NH3+])C1 ZINC000630360744 485751646 /nfs/dbraw/zinc/75/16/46/485751646.db2.gz KKSAYTNTTNRYEC-LSDHHAIUSA-N 2 2 343.265 2.266 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000679821358 485816402 /nfs/dbraw/zinc/81/64/02/485816402.db2.gz JMACKNLAQZIPQS-JXFKEZNVSA-N 2 2 341.499 2.206 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000679821358 485816408 /nfs/dbraw/zinc/81/64/08/485816408.db2.gz JMACKNLAQZIPQS-JXFKEZNVSA-N 2 2 341.499 2.206 10 0 EEAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679830665 485820663 /nfs/dbraw/zinc/82/06/63/485820663.db2.gz SJHZEESVHQYXJN-KRWDZBQOSA-N 2 2 348.472 2.098 10 0 EEAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679830665 485820667 /nfs/dbraw/zinc/82/06/67/485820667.db2.gz SJHZEESVHQYXJN-KRWDZBQOSA-N 2 2 348.472 2.098 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@H]3CCC[N@@H+](C)C3)c2)cc[nH+]1 ZINC000680435651 485969206 /nfs/dbraw/zinc/96/92/06/485969206.db2.gz URYGJPRZFLMGDM-KRWDZBQOSA-N 2 2 339.443 2.221 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@H]3CCC[N@H+](C)C3)c2)cc[nH+]1 ZINC000680435651 485969211 /nfs/dbraw/zinc/96/92/11/485969211.db2.gz URYGJPRZFLMGDM-KRWDZBQOSA-N 2 2 339.443 2.221 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000685573824 486148914 /nfs/dbraw/zinc/14/89/14/486148914.db2.gz LBDKAMSMXQXZKC-LJQANCHMSA-N 2 2 329.444 2.360 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000685573824 486148921 /nfs/dbraw/zinc/14/89/21/486148921.db2.gz LBDKAMSMXQXZKC-LJQANCHMSA-N 2 2 329.444 2.360 10 0 EEAELP Cc1nc(C)c(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000685573824 486148927 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10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000120754671 490616500 /nfs/dbraw/zinc/61/65/00/490616500.db2.gz ZLHMACCLZLCZIJ-DGCLKSJQSA-N 2 2 347.850 2.412 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[N@H+]1C1CC1 ZINC000120754671 490616508 /nfs/dbraw/zinc/61/65/08/490616508.db2.gz ZLHMACCLZLCZIJ-DGCLKSJQSA-N 2 2 347.850 2.412 10 0 EEAELP COC[C@@H](CCC[NH3+])[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000422701345 536593711 /nfs/dbraw/zinc/59/37/11/536593711.db2.gz BOGLGDYPDNASHD-MRXNPFEDSA-N 3 2 329.554 2.082 10 0 EEAELP O=C(NC1CC1)c1ccc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)cc1 ZINC000731451317 577102372 /nfs/dbraw/zinc/10/23/72/577102372.db2.gz MCHSJCARQCHOJB-UHFFFAOYSA-N 2 2 347.422 2.449 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC/C=C\c3ccccc3)C2)CC1 ZINC000734278834 577286670 /nfs/dbraw/zinc/28/66/70/577286670.db2.gz ZEGOEXLACVYIPB-MTIYJEKLSA-N 2 2 342.487 2.168 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC/C=C\c3ccccc3)C2)CC1 ZINC000734278834 577286671 /nfs/dbraw/zinc/28/66/71/577286671.db2.gz ZEGOEXLACVYIPB-MTIYJEKLSA-N 2 2 342.487 2.168 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000745785906 577918553 /nfs/dbraw/zinc/91/85/53/577918553.db2.gz BZNVNRQIYSLFIS-UKRRQHHQSA-N 2 2 334.464 2.331 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000745785906 577918554 /nfs/dbraw/zinc/91/85/54/577918554.db2.gz BZNVNRQIYSLFIS-UKRRQHHQSA-N 2 2 334.464 2.331 10 0 EEAELP CN(C(=O)NCC[C@@H]1CC[C@H]2C[C@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000924395077 677763215 /nfs/dbraw/zinc/76/32/15/677763215.db2.gz KTZJSCNROXTXPZ-CAMMJAKZSA-N 2 2 348.535 2.233 10 0 EEAELP CN(C(=O)NCC[C@@H]1CC[C@H]2C[C@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000924395077 677763217 /nfs/dbraw/zinc/76/32/17/677763217.db2.gz KTZJSCNROXTXPZ-CAMMJAKZSA-N 2 2 348.535 2.233 10 0 EEAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000179041577 679369008 /nfs/dbraw/zinc/36/90/08/679369008.db2.gz 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ZINC001409576379 1190060520 /nfs/dbraw/zinc/06/05/20/1190060520.db2.gz ISOXOYYIHXEISD-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP COC[C@H](C)[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001409772139 1190267057 /nfs/dbraw/zinc/26/70/57/1190267057.db2.gz CKEYWOBYMJTSKA-JKSUJKDBSA-N 2 2 336.480 2.278 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccns1 ZINC001483393812 1190435990 /nfs/dbraw/zinc/43/59/90/1190435990.db2.gz VAXXGABXICDEHM-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccns1 ZINC001483393812 1190435983 /nfs/dbraw/zinc/43/59/83/1190435983.db2.gz VAXXGABXICDEHM-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccns1 ZINC001483393812 1190435986 /nfs/dbraw/zinc/43/59/86/1190435986.db2.gz VAXXGABXICDEHM-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(Cl)n1)C(=O)CCc1[nH+]ccn1C ZINC001483481597 1190501551 /nfs/dbraw/zinc/50/15/51/1190501551.db2.gz 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ZINC001484121384 1191221059 /nfs/dbraw/zinc/22/10/59/1191221059.db2.gz ASBLXVMNJBRUDO-QGZVFWFLSA-N 2 2 347.488 2.172 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CC[C@H]2CCCO2)C1)c1c[nH+]c[nH]1 ZINC001484546145 1191408013 /nfs/dbraw/zinc/40/80/13/1191408013.db2.gz DCBLDIIHZIEGSR-HZPDHXFCSA-N 2 2 348.491 2.085 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCOCC2CCC2)[C@H](C)C1 ZINC001484987355 1191603573 /nfs/dbraw/zinc/60/35/73/1191603573.db2.gz YXKBQLOTUSWGGY-RHSMWYFYSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCOCC2CCC2)[C@H](C)C1 ZINC001484987355 1191603575 /nfs/dbraw/zinc/60/35/75/1191603575.db2.gz YXKBQLOTUSWGGY-RHSMWYFYSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001484987678 1191603971 /nfs/dbraw/zinc/60/39/71/1191603971.db2.gz FWHVKUZISYRYQW-GDBMZVCRSA-N 2 2 345.447 2.129 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001484987678 1191603973 /nfs/dbraw/zinc/60/39/73/1191603973.db2.gz FWHVKUZISYRYQW-GDBMZVCRSA-N 2 2 345.447 2.129 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CC[C@H]1CCCCO1 ZINC001485077043 1191645190 /nfs/dbraw/zinc/64/51/90/1191645190.db2.gz XRFDYKGQMJUOOE-DLBZAZTESA-N 2 2 348.491 2.143 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC[C@H]1CCCCO1 ZINC001485077043 1191645191 /nfs/dbraw/zinc/64/51/91/1191645191.db2.gz XRFDYKGQMJUOOE-DLBZAZTESA-N 2 2 348.491 2.143 10 0 EEAELP COc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001485317326 1191731961 /nfs/dbraw/zinc/73/19/61/1191731961.db2.gz SHDVTXFWGZFIFI-KBRIMQKVSA-N 2 2 342.443 2.159 10 0 EEAELP COc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001485317326 1191731963 /nfs/dbraw/zinc/73/19/63/1191731963.db2.gz SHDVTXFWGZFIFI-KBRIMQKVSA-N 2 2 342.443 2.159 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[N@H+](C)Cc1cncc(F)c1 ZINC001485366604 1191756714 /nfs/dbraw/zinc/75/67/14/1191756714.db2.gz SKVBIGAWPWEHBL-AWEZNQCLSA-N 2 2 347.438 2.143 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cncc(F)c1 ZINC001485366604 1191756716 /nfs/dbraw/zinc/75/67/16/1191756716.db2.gz SKVBIGAWPWEHBL-AWEZNQCLSA-N 2 2 347.438 2.143 10 0 EEAELP CCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001486235726 1193762378 /nfs/dbraw/zinc/76/23/78/1193762378.db2.gz FNMMPNVRGPRXKP-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC001486236025 1193762549 /nfs/dbraw/zinc/76/25/49/1193762549.db2.gz LCWUEUVTDMKSCT-JKSUJKDBSA-N 2 2 330.476 2.238 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]Cc1ncc(C2CC2)o1)NC(=O)C[NH+]1CCCC1 ZINC001486424371 1193938869 /nfs/dbraw/zinc/93/88/69/1193938869.db2.gz RZZGFHXPZBCHII-INIZCTEOSA-N 2 2 348.491 2.268 10 0 EEAELP CC[C@@H](C)C[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001486490522 1194002466 /nfs/dbraw/zinc/00/24/66/1194002466.db2.gz SZCLJBXJPOOMGJ-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001486516188 1194021483 /nfs/dbraw/zinc/02/14/83/1194021483.db2.gz BTOMUMPHXCMNGI-FUHWJXTLSA-N 2 2 346.475 2.009 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@@H+](CC[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001486516188 1194021488 /nfs/dbraw/zinc/02/14/88/1194021488.db2.gz BTOMUMPHXCMNGI-FUHWJXTLSA-N 2 2 346.475 2.009 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1=CC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001486520573 1194042715 /nfs/dbraw/zinc/04/27/15/1194042715.db2.gz FHQWXJYOCGDYQD-UHFFFAOYSA-N 2 2 349.425 2.309 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1=CC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001486520573 1194042720 /nfs/dbraw/zinc/04/27/20/1194042720.db2.gz FHQWXJYOCGDYQD-UHFFFAOYSA-N 2 2 349.425 2.309 10 0 EEAELP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001691673588 1197470839 /nfs/dbraw/zinc/47/08/39/1197470839.db2.gz YYXYKBUOOCNKNS-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001410212766 1197606272 /nfs/dbraw/zinc/60/62/72/1197606272.db2.gz WIUDZGONFYTYBP-PAYQAHJCSA-N 2 2 331.247 2.077 10 0 EEAELP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cn(C4CC4)cn3)[nH+]c2)C1 ZINC000865505791 1198251803 /nfs/dbraw/zinc/25/18/03/1198251803.db2.gz KBDMWXDARJEBDJ-KRWDZBQOSA-N 2 2 326.448 2.365 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659314 1198321106 /nfs/dbraw/zinc/32/11/06/1198321106.db2.gz LUBUYFHGBWCAKT-NZSAHSFTSA-N 2 2 331.504 2.257 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659314 1198321115 /nfs/dbraw/zinc/32/11/15/1198321115.db2.gz LUBUYFHGBWCAKT-NZSAHSFTSA-N 2 2 331.504 2.257 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000865659314 1198321123 /nfs/dbraw/zinc/32/11/23/1198321123.db2.gz LUBUYFHGBWCAKT-NZSAHSFTSA-N 2 2 331.504 2.257 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000865659314 1198321134 /nfs/dbraw/zinc/32/11/34/1198321134.db2.gz LUBUYFHGBWCAKT-NZSAHSFTSA-N 2 2 331.504 2.257 10 0 EEAELP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000865767228 1198367712 /nfs/dbraw/zinc/36/77/12/1198367712.db2.gz PVBFUFSMWVPQCK-JCNLHEQBSA-N 2 2 345.468 2.242 10 0 EEAELP CO[C@H](C)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001410992117 1198670166 /nfs/dbraw/zinc/67/01/66/1198670166.db2.gz VBSOAQBKWQMCRC-WBMJQRKESA-N 2 2 330.432 2.038 10 0 EEAELP CC(C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870863342 1200918138 /nfs/dbraw/zinc/91/81/38/1200918138.db2.gz BGFZWDFNGAXKTN-CQSZACIVSA-N 2 2 340.265 2.002 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)s1 ZINC000870890891 1200934903 /nfs/dbraw/zinc/93/49/03/1200934903.db2.gz JTTCCODQCGBJJB-GLJUWKHASA-N 2 2 333.501 2.082 10 0 EEAELP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707679 1201585895 /nfs/dbraw/zinc/58/58/95/1201585895.db2.gz VQHSJIWFGRUVRP-RDTXWAMCSA-N 2 2 335.496 2.061 10 0 EEAELP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707679 1201585900 /nfs/dbraw/zinc/58/59/00/1201585900.db2.gz VQHSJIWFGRUVRP-RDTXWAMCSA-N 2 2 335.496 2.061 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001274083051 1204362175 /nfs/dbraw/zinc/36/21/75/1204362175.db2.gz XQRDFGLISHFHJQ-LPQSXRFUSA-N 2 2 342.418 2.431 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001274083051 1204362179 /nfs/dbraw/zinc/36/21/79/1204362179.db2.gz XQRDFGLISHFHJQ-LPQSXRFUSA-N 2 2 342.418 2.431 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001275328624 1205310446 /nfs/dbraw/zinc/31/04/46/1205310446.db2.gz ZHCHNLGWLRICFC-STQMWFEESA-N 2 2 335.839 2.177 10 0 EEAELP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000924632764 1206006984 /nfs/dbraw/zinc/00/69/84/1206006984.db2.gz FJKFSDUOBWRHTB-QZTJIDSGSA-N 2 2 333.451 2.470 10 0 EEAELP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000924632764 1206006987 /nfs/dbraw/zinc/00/69/87/1206006987.db2.gz FJKFSDUOBWRHTB-QZTJIDSGSA-N 2 2 333.451 2.470 10 0 EEAELP C[C@H]1[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[N@@H+]1C ZINC000925339425 1206099808 /nfs/dbraw/zinc/09/98/08/1206099808.db2.gz RIYLFYHTLSXEHE-WMLDXEAASA-N 2 2 345.491 2.201 10 0 EEAELP C[C@H]1[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[N@H+]1C ZINC000925339425 1206099810 /nfs/dbraw/zinc/09/98/10/1206099810.db2.gz RIYLFYHTLSXEHE-WMLDXEAASA-N 2 2 345.491 2.201 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC[C@H]2CC[NH+]2C)C[C@H](C)O1 ZINC000925396697 1206106812 /nfs/dbraw/zinc/10/68/12/1206106812.db2.gz BRTJEDSFNAVNRQ-HLLBOEOZSA-N 2 2 346.475 2.121 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC[C@H]2CC[NH+]2C)C[C@H](C)O1 ZINC000925396697 1206106815 /nfs/dbraw/zinc/10/68/15/1206106815.db2.gz BRTJEDSFNAVNRQ-HLLBOEOZSA-N 2 2 346.475 2.121 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@H]2CC[N@@H+]2C)C[C@H](C)O1 ZINC000925396697 1206106817 /nfs/dbraw/zinc/10/68/17/1206106817.db2.gz BRTJEDSFNAVNRQ-HLLBOEOZSA-N 2 2 346.475 2.121 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@H]2CC[N@H+]2C)C[C@H](C)O1 ZINC000925396697 1206106819 /nfs/dbraw/zinc/10/68/19/1206106819.db2.gz BRTJEDSFNAVNRQ-HLLBOEOZSA-N 2 2 346.475 2.121 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)C[C@]2(C)C1 ZINC000933738396 1207830164 /nfs/dbraw/zinc/83/01/64/1207830164.db2.gz YSVKITLZERWNDM-LJHODMEESA-N 2 2 331.435 2.205 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)C[C@]2(C)C1 ZINC000933738396 1207830166 /nfs/dbraw/zinc/83/01/66/1207830166.db2.gz YSVKITLZERWNDM-LJHODMEESA-N 2 2 331.435 2.205 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccccc4F)C3=O)C[C@]2(C)C1 ZINC000933738396 1207830169 /nfs/dbraw/zinc/83/01/69/1207830169.db2.gz YSVKITLZERWNDM-LJHODMEESA-N 2 2 331.435 2.205 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCCN(c4ccccc4F)C3=O)C[C@]2(C)C1 ZINC000933738396 1207830171 /nfs/dbraw/zinc/83/01/71/1207830171.db2.gz YSVKITLZERWNDM-LJHODMEESA-N 2 2 331.435 2.205 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3cc(C(N)=O)co3)CC2)cc1 ZINC000779068742 1208488927 /nfs/dbraw/zinc/48/89/27/1208488927.db2.gz BYVAYWNYXDMEOE-UHFFFAOYSA-N 2 2 342.443 2.203 10 0 EEAELP CCOCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827700464 1248654551 /nfs/dbraw/zinc/65/45/51/1248654551.db2.gz UNKVARKWMUBDEC-SFHVURJKSA-N 2 2 334.460 2.090 10 0 EEAELP CCOCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000827700464 1248654566 /nfs/dbraw/zinc/65/45/66/1248654566.db2.gz UNKVARKWMUBDEC-SFHVURJKSA-N 2 2 334.460 2.090 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)/C=C(/C)C[NH+]1CCOCC1)c1ccco1 ZINC000900407200 1234323100 /nfs/dbraw/zinc/32/31/00/1234323100.db2.gz YFCUSQPYKLYMPW-NOCRFKNCSA-N 2 2 349.475 2.057 10 0 EEAELP CC[NH+](CC)CCNC(=O)c1ccc(OCc2ccc(N)[nH+]c2)cc1 ZINC000902259856 1237300940 /nfs/dbraw/zinc/30/09/40/1237300940.db2.gz TVSCWXQECCFAFA-UHFFFAOYSA-N 2 2 342.443 2.314 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001491508770 1259153207 /nfs/dbraw/zinc/15/32/07/1259153207.db2.gz XNNNXCXPNYILKJ-GJZGRUSLSA-N 2 2 344.434 2.188 10 0 EEAELP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000857979408 1293976408 /nfs/dbraw/zinc/97/64/08/1293976408.db2.gz OHQOYBJZPDEOQE-QZTJIDSGSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000857979408 1293976410 /nfs/dbraw/zinc/97/64/10/1293976410.db2.gz OHQOYBJZPDEOQE-QZTJIDSGSA-N 2 2 338.455 2.399 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000859274445 1294371011 /nfs/dbraw/zinc/37/10/11/1294371011.db2.gz QJTJWTUZZWVKTG-LPHOPBHVSA-N 2 2 333.476 2.077 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000859274445 1294371019 /nfs/dbraw/zinc/37/10/19/1294371019.db2.gz QJTJWTUZZWVKTG-LPHOPBHVSA-N 2 2 333.476 2.077 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000860030168 1294764365 /nfs/dbraw/zinc/76/43/65/1294764365.db2.gz KNKAQLNRJOQTSL-INIZCTEOSA-N 2 2 326.481 2.105 10 0 EEAELP COC(=O)COc1c(C)cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C ZINC000863644302 1296362457 /nfs/dbraw/zinc/36/24/57/1296362457.db2.gz QTUAZEPTZDLKQS-INIZCTEOSA-N 2 2 332.444 2.229 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCC[NH2+]Cc2cscn2)c[nH+]1 ZINC001277216209 1301863408 /nfs/dbraw/zinc/86/34/08/1301863408.db2.gz BGWQOWHBGGWFBI-CYBMUJFWSA-N 2 2 349.504 2.458 10 0 EEAELP CCCCOCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001277682885 1304178612 /nfs/dbraw/zinc/17/86/12/1304178612.db2.gz XUVYOMQPLIAAFY-DLBZAZTESA-N 2 2 339.524 2.066 10 0 EEAELP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCC[C@@H]1CCOC1 ZINC001277884932 1305016522 /nfs/dbraw/zinc/01/65/22/1305016522.db2.gz FRASMLAHDOIPQU-JKSUJKDBSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001278588856 1317286653 /nfs/dbraw/zinc/28/66/53/1317286653.db2.gz KARGPFWYFWVJPW-HXUWFJFHSA-N 2 2 340.471 2.262 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001263802368 1322516254 /nfs/dbraw/zinc/51/62/54/1322516254.db2.gz NWXMDCJQUHRXFP-JKSUJKDBSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CCCCCF)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001263802368 1322516256 /nfs/dbraw/zinc/51/62/56/1322516256.db2.gz NWXMDCJQUHRXFP-JKSUJKDBSA-N 2 2 336.455 2.118 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1coc(C2CC2)n1 ZINC001264986373 1322834689 /nfs/dbraw/zinc/83/46/89/1322834689.db2.gz INGLEUBYLQHFPF-QGZVFWFLSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1coc(C2CC2)n1 ZINC001264986373 1322834694 /nfs/dbraw/zinc/83/46/94/1322834694.db2.gz INGLEUBYLQHFPF-QGZVFWFLSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC001264986373 1322834699 /nfs/dbraw/zinc/83/46/99/1322834699.db2.gz INGLEUBYLQHFPF-QGZVFWFLSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001264986373 1322834702 /nfs/dbraw/zinc/83/47/02/1322834702.db2.gz INGLEUBYLQHFPF-QGZVFWFLSA-N 2 2 348.491 2.363 10 0 EEAELP CCc1cnc(C[N@H+](CCCNC(=O)[C@@H]2CCCC[NH+]2C)C2CC2)o1 ZINC001265170813 1322963833 /nfs/dbraw/zinc/96/38/33/1322963833.db2.gz BKQZARIJBVXADL-KRWDZBQOSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[N@@H+](CCCNC(=O)[C@@H]2CCCC[NH+]2C)C2CC2)o1 ZINC001265170813 1322963835 /nfs/dbraw/zinc/96/38/35/1322963835.db2.gz BKQZARIJBVXADL-KRWDZBQOSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+](CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)C2CC2)o1 ZINC001265170813 1322963841 /nfs/dbraw/zinc/96/38/41/1322963841.db2.gz BKQZARIJBVXADL-KRWDZBQOSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)o1 ZINC001265170813 1322963842 /nfs/dbraw/zinc/96/38/42/1322963842.db2.gz BKQZARIJBVXADL-KRWDZBQOSA-N 2 2 348.491 2.192 10 0 EEAELP O=C(NCCC[N@@H+](C/C(Cl)=C/Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001265181061 1322972930 /nfs/dbraw/zinc/97/29/30/1322972930.db2.gz MKXMPSFIIZFNGT-RAXLEYEMSA-N 2 2 346.302 2.372 10 0 EEAELP O=C(NCCC[N@H+](C/C(Cl)=C/Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001265181061 1322972934 /nfs/dbraw/zinc/97/29/34/1322972934.db2.gz MKXMPSFIIZFNGT-RAXLEYEMSA-N 2 2 346.302 2.372 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]([NH2+]CCCc2ccc(C)cc2)C1 ZINC001265568110 1323223421 /nfs/dbraw/zinc/22/34/21/1323223421.db2.gz JURYSNPVGQURPT-HDICACEKSA-N 2 2 340.471 2.439 10 0 EEAELP CO[C@H](C[N@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001265890370 1323460386 /nfs/dbraw/zinc/46/03/86/1323460386.db2.gz QQVGEIPKYJEPKV-QGZVFWFLSA-N 2 2 344.459 2.201 10 0 EEAELP CO[C@H](C[N@@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001265890370 1323460390 /nfs/dbraw/zinc/46/03/90/1323460390.db2.gz QQVGEIPKYJEPKV-QGZVFWFLSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265953619 1323515969 /nfs/dbraw/zinc/51/59/69/1323515969.db2.gz CNITZDIMQVZEKC-CQSZACIVSA-N 2 2 332.423 2.301 10 0 EEAELP C[C@H](c1cccc(F)c1)[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265953619 1323515972 /nfs/dbraw/zinc/51/59/72/1323515972.db2.gz CNITZDIMQVZEKC-CQSZACIVSA-N 2 2 332.423 2.301 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)Cc1cncs1 ZINC001266063034 1323617263 /nfs/dbraw/zinc/61/72/63/1323617263.db2.gz YBHUHKCCAWCCTE-UHFFFAOYSA-N 2 2 343.456 2.433 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)Cc1cncs1 ZINC001266063034 1323617274 /nfs/dbraw/zinc/61/72/74/1323617274.db2.gz YBHUHKCCAWCCTE-UHFFFAOYSA-N 2 2 343.456 2.433 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001279586925 1323947719 /nfs/dbraw/zinc/94/77/19/1323947719.db2.gz KGMFTQVKTVOZEH-HOTGVXAUSA-N 2 2 348.491 2.179 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001279586925 1323947723 /nfs/dbraw/zinc/94/77/23/1323947723.db2.gz KGMFTQVKTVOZEH-HOTGVXAUSA-N 2 2 348.491 2.179 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001280140794 1324094739 /nfs/dbraw/zinc/09/47/39/1324094739.db2.gz OWNPMXVHAHZXFR-ZDUSSCGKSA-N 2 2 332.370 2.054 10 0 EEAELP O=C(NCC1([NH2+]CCCCCF)CCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001280488229 1324251892 /nfs/dbraw/zinc/25/18/92/1324251892.db2.gz PDQIIEKBTOPBNI-HNNXBMFYSA-N 2 2 336.455 2.214 10 0 EEAELP Cc1conc1C[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001276624623 1324858100 /nfs/dbraw/zinc/85/81/00/1324858100.db2.gz LEVNEFUEAMBIGZ-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1conc1C[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001276624623 1324858108 /nfs/dbraw/zinc/85/81/08/1324858108.db2.gz LEVNEFUEAMBIGZ-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP C[C@@H]([NH2+]CCOCC1CC1)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001282144929 1325633109 /nfs/dbraw/zinc/63/31/09/1325633109.db2.gz AQZYLLUNYCUJMA-OLZOCXBDSA-N 2 2 330.432 2.086 10 0 EEAELP CCCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001283011518 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2 2 346.475 2.024 10 0 EEAELP CO[C@@H](C[N@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCC1 ZINC001491945012 1330336423 /nfs/dbraw/zinc/33/64/23/1330336423.db2.gz VQIAAKFXCJATST-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@@H](C[N@@H+](C)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCC1 ZINC001491945012 1330336426 /nfs/dbraw/zinc/33/64/26/1330336426.db2.gz VQIAAKFXCJATST-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@@H](C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001491967526 1330363380 /nfs/dbraw/zinc/36/33/80/1330363380.db2.gz QNYWOFRKSFHYTI-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@@H](C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001491967526 1330363381 /nfs/dbraw/zinc/36/33/81/1330363381.db2.gz QNYWOFRKSFHYTI-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2F ZINC001492133387 1331064934 /nfs/dbraw/zinc/06/49/34/1331064934.db2.gz VGDOYMNPXNQBKW-DYVFJYSZSA-N 2 2 330.407 2.194 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1CC[NH2+]CCCF ZINC001316686567 1331329887 /nfs/dbraw/zinc/32/98/87/1331329887.db2.gz RBMGUDMODUQUSB-DOTOQJQBSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001316850483 1331934136 /nfs/dbraw/zinc/93/41/36/1331934136.db2.gz XASVDTQKDIDVQD-QZTJIDSGSA-N 2 2 340.471 2.470 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001316850483 1331934138 /nfs/dbraw/zinc/93/41/38/1331934138.db2.gz XASVDTQKDIDVQD-QZTJIDSGSA-N 2 2 340.471 2.470 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317501921 1332268493 /nfs/dbraw/zinc/26/84/93/1332268493.db2.gz FUFHZIPWPBQTTF-OAZXXZECSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317501921 1332268494 /nfs/dbraw/zinc/26/84/94/1332268494.db2.gz FUFHZIPWPBQTTF-OAZXXZECSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@](C[NH2+]Cc1ccc(Cl)nc1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001318725590 1332583157 /nfs/dbraw/zinc/58/31/57/1332583157.db2.gz ACXHPJWGFRBMKZ-KRWDZBQOSA-N 2 2 347.850 2.075 10 0 EEAELP CO[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001319762173 1332760725 /nfs/dbraw/zinc/76/07/25/1332760725.db2.gz CWHHIUQUHRPXRM-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]Cc1cncs1 ZINC001319770637 1332763588 /nfs/dbraw/zinc/76/35/88/1332763588.db2.gz UVZQETWHVWIYJG-HNNXBMFYSA-N 2 2 347.488 2.291 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C ZINC001319957691 1332802081 /nfs/dbraw/zinc/80/20/81/1332802081.db2.gz JMOYZGANCKKNMB-HNNXBMFYSA-N 2 2 349.866 2.240 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320439281 1332883896 /nfs/dbraw/zinc/88/38/96/1332883896.db2.gz MPUYOVIBQKOTOF-CQSZACIVSA-N 2 2 342.443 2.057 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320439281 1332883898 /nfs/dbraw/zinc/88/38/98/1332883898.db2.gz MPUYOVIBQKOTOF-CQSZACIVSA-N 2 2 342.443 2.057 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001320439492 1332884514 /nfs/dbraw/zinc/88/45/14/1332884514.db2.gz NWOODLNAAYVHHT-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001320439492 1332884517 /nfs/dbraw/zinc/88/45/17/1332884517.db2.gz NWOODLNAAYVHHT-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP CC[C@H](C)NC(=O)C[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001320500685 1332898248 /nfs/dbraw/zinc/89/82/48/1332898248.db2.gz HQWOCJJAFIYFSI-KBPBESRZSA-N 2 2 348.491 2.020 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F ZINC001321083717 1333015047 /nfs/dbraw/zinc/01/50/47/1333015047.db2.gz LDEDSMQMSOWCEB-ZMXQLYDGSA-N 2 2 342.418 2.431 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F ZINC001321083717 1333015049 /nfs/dbraw/zinc/01/50/49/1333015049.db2.gz LDEDSMQMSOWCEB-ZMXQLYDGSA-N 2 2 342.418 2.431 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1)c1ccccc1 ZINC001321127593 1333026213 /nfs/dbraw/zinc/02/62/13/1333026213.db2.gz RRRQTJZQSYNQIN-MMUANNJHSA-N 2 2 338.455 2.469 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)c2ccc(C[NH+](C)C)cc2)co1 ZINC001321293655 1333065970 /nfs/dbraw/zinc/06/59/70/1333065970.db2.gz JHYFDLWLGMOADD-PLNGDYQASA-N 2 2 342.443 2.120 10 0 EEAELP CC[C@H](C[NH2+]CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)OC ZINC001322510941 1333273933 /nfs/dbraw/zinc/27/39/33/1333273933.db2.gz CZRHQHAOHVGZFS-MRXNPFEDSA-N 2 2 332.448 2.119 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCCF ZINC001323791227 1333539698 /nfs/dbraw/zinc/53/96/98/1333539698.db2.gz VZAMPPLUIDMXOJ-IYBDPMFKSA-N 2 2 336.455 2.466 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCCF ZINC001323791227 1333539701 /nfs/dbraw/zinc/53/97/01/1333539701.db2.gz VZAMPPLUIDMXOJ-IYBDPMFKSA-N 2 2 336.455 2.466 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001324180318 1333629676 /nfs/dbraw/zinc/62/96/76/1333629676.db2.gz IWPQEMMOAQFVMX-DLBZAZTESA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)CCCC[NH+]3CCCC3)C2)co1 ZINC001324679750 1333737594 /nfs/dbraw/zinc/73/75/94/1333737594.db2.gz FWCOOISRXHUADG-IBGZPJMESA-N 2 2 348.491 2.330 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)CCCC[NH+]3CCCC3)C2)co1 ZINC001324679750 1333737599 /nfs/dbraw/zinc/73/75/99/1333737599.db2.gz FWCOOISRXHUADG-IBGZPJMESA-N 2 2 348.491 2.330 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc3cccnc3)ccn12 ZINC001329037099 1334572982 /nfs/dbraw/zinc/57/29/82/1334572982.db2.gz PNJKPXAPLNPHGV-HUUCEWRRSA-N 2 2 337.427 2.334 10 0 EEAELP C[C@@H]([NH2+]Cc1cscn1)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329066932 1334578248 /nfs/dbraw/zinc/57/82/48/1334578248.db2.gz GMUPASKQSLHMKY-MNOVXSKESA-N 2 2 329.429 2.316 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC(OCCC[NH2+]CC2CCCC2)CC1 ZINC001329786604 1334714722 /nfs/dbraw/zinc/71/47/22/1334714722.db2.gz LSVVAZIRIHJCLQ-UHFFFAOYSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001330709883 1334889537 /nfs/dbraw/zinc/88/95/37/1334889537.db2.gz YTURYFDVVFPHKQ-KKUMJFAQSA-N 2 2 340.418 2.193 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC/C=C\c1ccccc1 ZINC001331646532 1335051517 /nfs/dbraw/zinc/05/15/17/1335051517.db2.gz JIADCHYSZXUXBO-IVEQORNPSA-N 2 2 326.444 2.423 10 0 EEAELP CC(C)COCC[NH2+]C1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001333081986 1335959423 /nfs/dbraw/zinc/95/94/23/1335959423.db2.gz JXCMFSPEXVOQPZ-UHFFFAOYSA-N 2 2 344.459 2.428 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCCC(F)(F)F ZINC001567028995 1342683830 /nfs/dbraw/zinc/68/38/30/1342683830.db2.gz OAQDSDJBIFAXNK-OLZOCXBDSA-N 2 2 346.397 2.272 10 0 EEAELP C[C@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001567626897 1342796416 /nfs/dbraw/zinc/79/64/16/1342796416.db2.gz KBOBROPELCMNPJ-HOCLYGCPSA-N 2 2 336.455 2.022 10 0 EEAELP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001571257785 1343170665 /nfs/dbraw/zinc/17/06/65/1343170665.db2.gz RYAWJRYGQXZVEA-GUYCJALGSA-N 2 2 333.480 2.075 10 0 EEAELP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001571257785 1343170686 /nfs/dbraw/zinc/17/06/86/1343170686.db2.gz RYAWJRYGQXZVEA-GUYCJALGSA-N 2 2 333.480 2.075 10 0 EEAELP CCCCOCC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001656905527 1354297991 /nfs/dbraw/zinc/29/79/91/1354297991.db2.gz ZTAADJCXABYTIC-INIZCTEOSA-N 2 2 336.480 2.130 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001656969699 1354304744 /nfs/dbraw/zinc/30/47/44/1354304744.db2.gz DUKUCNKDSROYSJ-RFNSILBKSA-N 2 2 330.476 2.381 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001656969699 1354304750 /nfs/dbraw/zinc/30/47/50/1354304750.db2.gz DUKUCNKDSROYSJ-RFNSILBKSA-N 2 2 330.476 2.381 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](Cc1ccon1)C1CC1 ZINC001660753160 1354532436 /nfs/dbraw/zinc/53/24/36/1354532436.db2.gz NAOQQYQILWFKOE-HUUCEWRRSA-N 2 2 334.464 2.018 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@@H+](Cc1ccon1)C1CC1 ZINC001660753160 1354532438 /nfs/dbraw/zinc/53/24/38/1354532438.db2.gz NAOQQYQILWFKOE-HUUCEWRRSA-N 2 2 334.464 2.018 10 0 EEAELP CC(C)=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCOCC1 ZINC001661270908 1354621324 /nfs/dbraw/zinc/62/13/24/1354621324.db2.gz JIQMBINOCKUGFP-KDURUIRLSA-N 2 2 349.519 2.130 10 0 EEAELP CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCOCC1 ZINC001661270908 1354621326 /nfs/dbraw/zinc/62/13/26/1354621326.db2.gz JIQMBINOCKUGFP-KDURUIRLSA-N 2 2 349.519 2.130 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1nsc2ccccc12 ZINC001664332064 1355140980 /nfs/dbraw/zinc/14/09/80/1355140980.db2.gz QSUNTBXIDRFOCJ-UHFFFAOYSA-N 2 2 343.456 2.119 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCc1cccs1 ZINC001667395279 1355731467 /nfs/dbraw/zinc/73/14/67/1355731467.db2.gz ZBTAUGLYVHEQSE-PBHICJAKSA-N 2 2 346.500 2.473 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001667687404 1355784239 /nfs/dbraw/zinc/78/42/39/1355784239.db2.gz NMVODYDYTNNESE-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001667687404 1355784243 /nfs/dbraw/zinc/78/42/43/1355784243.db2.gz NMVODYDYTNNESE-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001667687404 1355784249 /nfs/dbraw/zinc/78/42/49/1355784249.db2.gz NMVODYDYTNNESE-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001667687404 1355784253 /nfs/dbraw/zinc/78/42/53/1355784253.db2.gz NMVODYDYTNNESE-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001668865176 1356027795 /nfs/dbraw/zinc/02/77/95/1356027795.db2.gz RNJIAVSYXGOXIM-BDUNBXCCSA-N 2 2 346.475 2.152 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001668865176 1356027799 /nfs/dbraw/zinc/02/77/99/1356027799.db2.gz RNJIAVSYXGOXIM-BDUNBXCCSA-N 2 2 346.475 2.152 10 0 EEAELP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001670118024 1356279774 /nfs/dbraw/zinc/27/97/74/1356279774.db2.gz IPHUNFDAEOBPAJ-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001670118024 1356279778 /nfs/dbraw/zinc/27/97/78/1356279778.db2.gz IPHUNFDAEOBPAJ-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP COCC[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CCCC1 ZINC001671530457 1356357017 /nfs/dbraw/zinc/35/70/17/1356357017.db2.gz MWKTWJPLJDEUMI-KRWDZBQOSA-N 2 2 344.459 2.167 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC001671698780 1356398794 /nfs/dbraw/zinc/39/87/94/1356398794.db2.gz HINURLSEFBTNOR-HXUWFJFHSA-N 2 2 349.438 2.212 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC001671698780 1356398800 /nfs/dbraw/zinc/39/88/00/1356398800.db2.gz HINURLSEFBTNOR-HXUWFJFHSA-N 2 2 349.438 2.212 10 0 EEAELP CCCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001673617771 1356718488 /nfs/dbraw/zinc/71/84/88/1356718488.db2.gz RWBFMYBOYHPQOP-UHFFFAOYSA-N 2 2 339.524 2.258 10 0 EEAELP CCOCCC[N@@H+]1Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2C1 ZINC001673769625 1356745343 /nfs/dbraw/zinc/74/53/43/1356745343.db2.gz ORXUJOMEVSEOJT-UHFFFAOYSA-N 2 2 342.443 2.011 10 0 EEAELP CCOCCC[N@H+]1Cc2ccc(CNC(=O)Cc3[nH]cc[nH+]3)cc2C1 ZINC001673769625 1356745346 /nfs/dbraw/zinc/74/53/46/1356745346.db2.gz ORXUJOMEVSEOJT-UHFFFAOYSA-N 2 2 342.443 2.011 10 0 EEAELP CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691752116 1356884312 /nfs/dbraw/zinc/88/43/12/1356884312.db2.gz ZTXGZDGPPIGNLG-WYVSAIIBSA-N 2 2 338.883 2.493 10 0 EEAELP CC(C)[N@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691752116 1356884315 /nfs/dbraw/zinc/88/43/15/1356884315.db2.gz ZTXGZDGPPIGNLG-WYVSAIIBSA-N 2 2 338.883 2.493 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001675823589 1357052095 /nfs/dbraw/zinc/05/20/95/1357052095.db2.gz FJUNRXRLGQZIGZ-QAQDUYKDSA-N 2 2 332.492 2.417 10 0 EEAELP O=C(NCc1ccc(C[NH2+]CCCF)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC001698717237 1405021892 /nfs/dbraw/zinc/02/18/92/1405021892.db2.gz PTPXVQILIDMNRJ-KRWDZBQOSA-N 2 2 344.434 2.211 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001699120626 1405276424 /nfs/dbraw/zinc/27/64/24/1405276424.db2.gz GDCUTGMWZICYQK-ZDUSSCGKSA-N 2 2 335.839 2.006 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+][C@H](C)c1cc(F)ccc1F ZINC001699286978 1405317817 /nfs/dbraw/zinc/31/78/17/1405317817.db2.gz XTNZQRIWTMEHSL-RDFMZFSFSA-N 2 2 348.397 2.493 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1cccc(Cl)c1 ZINC001699288982 1405319603 /nfs/dbraw/zinc/31/96/03/1405319603.db2.gz MBABQQKAFODXRZ-UPHRSURJSA-N 2 2 332.835 2.389 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@]34C[C@H]3CCCC4)C2)CC1 ZINC000918914087 769471672 /nfs/dbraw/zinc/47/16/72/769471672.db2.gz QRRXWDPMHOQQIY-GJYPPUQNSA-N 2 2 334.508 2.034 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@]34C[C@H]3CCCC4)C2)CC1 ZINC000918914087 769471681 /nfs/dbraw/zinc/47/16/81/769471681.db2.gz QRRXWDPMHOQQIY-GJYPPUQNSA-N 2 2 334.508 2.034 10 0 EEAELP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000912647967 788280287 /nfs/dbraw/zinc/28/02/87/788280287.db2.gz CAQZQHKHTJIOFB-WBVHZDCISA-N 2 2 332.492 2.483 10 0 EEAELP C[C@@]12CN(C(=O)Cn3cc[nH+]c3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000913082225 788614117 /nfs/dbraw/zinc/61/41/17/788614117.db2.gz DKUDZELIDTUFNS-WOJBJXKFSA-N 2 2 338.455 2.254 10 0 EEAELP CO/C(=C/c1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001144204904 789382329 /nfs/dbraw/zinc/38/23/29/789382329.db2.gz ZELVXZOFZAKIJX-KNTRCKAVSA-N 2 2 345.487 2.158 10 0 EEAELP CO/C(=C/c1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001144204904 789382337 /nfs/dbraw/zinc/38/23/37/789382337.db2.gz ZELVXZOFZAKIJX-KNTRCKAVSA-N 2 2 345.487 2.158 10 0 EEAELP C/C(=C/C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000913792803 794284606 /nfs/dbraw/zinc/28/46/06/794284606.db2.gz SEBYNXJQOPXXNV-VLGSPTGOSA-N 2 2 349.519 2.132 10 0 EEAELP Cc1nnc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[nH]1 ZINC000716727978 796448567 /nfs/dbraw/zinc/44/85/67/796448567.db2.gz NTLZPTXUQPXEGB-BZSNNMDCSA-N 2 2 325.460 2.298 10 0 EEAELP Cc1nnc(CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[nH]1 ZINC000716727978 796448571 /nfs/dbraw/zinc/44/85/71/796448571.db2.gz NTLZPTXUQPXEGB-BZSNNMDCSA-N 2 2 325.460 2.298 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000444128082 796685832 /nfs/dbraw/zinc/68/58/32/796685832.db2.gz XWQFACKGKUKJSS-CGZBRXJRSA-N 2 2 347.507 2.430 10 0 EEAELP C[C@H]1CC[N@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786287 811534619 /nfs/dbraw/zinc/53/46/19/811534619.db2.gz UFXIBIGJZVJMKO-XUXIUFHCSA-N 2 2 335.414 2.248 10 0 EEAELP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786287 811534628 /nfs/dbraw/zinc/53/46/28/811534628.db2.gz UFXIBIGJZVJMKO-XUXIUFHCSA-N 2 2 335.414 2.248 10 0 EEAELP C[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786287 811534635 /nfs/dbraw/zinc/53/46/35/811534635.db2.gz UFXIBIGJZVJMKO-XUXIUFHCSA-N 2 2 335.414 2.248 10 0 EEAELP C[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000805786287 811534638 /nfs/dbraw/zinc/53/46/38/811534638.db2.gz UFXIBIGJZVJMKO-XUXIUFHCSA-N 2 2 335.414 2.248 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCCCCF ZINC001566094316 1125557074 /nfs/dbraw/zinc/55/70/74/1125557074.db2.gz ISOITBJXSYYQRS-INMHGKMJSA-N 2 2 336.455 2.164 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCCCCF ZINC001566094316 1125557079 /nfs/dbraw/zinc/55/70/79/1125557079.db2.gz ISOITBJXSYYQRS-INMHGKMJSA-N 2 2 336.455 2.164 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC001566555681 1125728058 /nfs/dbraw/zinc/72/80/58/1125728058.db2.gz XVCUKKVWRVCMHB-SFHVURJKSA-N 2 2 340.471 2.474 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC001566555681 1125728061 /nfs/dbraw/zinc/72/80/61/1125728061.db2.gz XVCUKKVWRVCMHB-SFHVURJKSA-N 2 2 340.471 2.474 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCc2ccccc21 ZINC001566566755 1125745193 /nfs/dbraw/zinc/74/51/93/1125745193.db2.gz LUCFQJGUNSRFDN-SFHVURJKSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCc2ccccc21 ZINC001566566755 1125745197 /nfs/dbraw/zinc/74/51/97/1125745197.db2.gz LUCFQJGUNSRFDN-SFHVURJKSA-N 2 2 326.444 2.468 10 0 EEAELP Cc1csc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC001436419930 1087779552 /nfs/dbraw/zinc/77/95/52/1087779552.db2.gz APMUSZASIOXHRP-UONOGXRCSA-N 2 2 347.488 2.100 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCc2cccs2)C1 ZINC001436424539 1087791874 /nfs/dbraw/zinc/79/18/74/1087791874.db2.gz XHZCXTVYSWTRCM-UONOGXRCSA-N 2 2 332.473 2.131 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001436479529 1087956106 /nfs/dbraw/zinc/95/61/06/1087956106.db2.gz BUBIKRIMZOLJBU-HIFRSBDPSA-N 2 2 330.432 2.181 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001436479529 1087956131 /nfs/dbraw/zinc/95/61/31/1087956131.db2.gz BUBIKRIMZOLJBU-HIFRSBDPSA-N 2 2 330.432 2.181 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)Cc2c[nH]c[nH+]2)C2CC2)c1 ZINC001436813657 1088404373 /nfs/dbraw/zinc/40/43/73/1088404373.db2.gz OXQZZLXFQALJPQ-FZKQIMNGSA-N 2 2 342.443 2.206 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1)c1ccccc1 ZINC001436977485 1088672830 /nfs/dbraw/zinc/67/28/30/1088672830.db2.gz MDJDXCCMAOKIDY-HLLBOEOZSA-N 2 2 344.484 2.183 10 0 EEAELP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C2CCC2)cc1 ZINC001437569220 1090053747 /nfs/dbraw/zinc/05/37/47/1090053747.db2.gz QKACVOQCLMOHBX-UHFFFAOYSA-N 2 2 326.444 2.399 10 0 EEAELP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C2CCC2)cc1 ZINC001437569220 1090053757 /nfs/dbraw/zinc/05/37/57/1090053757.db2.gz QKACVOQCLMOHBX-UHFFFAOYSA-N 2 2 326.444 2.399 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001437676010 1090207056 /nfs/dbraw/zinc/20/70/56/1090207056.db2.gz HIXVTOQMUWVKJT-HZPDHXFCSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001437676010 1090207057 /nfs/dbraw/zinc/20/70/57/1090207057.db2.gz HIXVTOQMUWVKJT-HZPDHXFCSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001437676010 1090207061 /nfs/dbraw/zinc/20/70/61/1090207061.db2.gz HIXVTOQMUWVKJT-HZPDHXFCSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001437676010 1090207068 /nfs/dbraw/zinc/20/70/68/1090207068.db2.gz HIXVTOQMUWVKJT-HZPDHXFCSA-N 2 2 348.491 2.220 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+](Cc3cncs3)C2)c[nH+]1 ZINC001437724724 1090277920 /nfs/dbraw/zinc/27/79/20/1090277920.db2.gz ZGBWDUBJGKPHKQ-AWEZNQCLSA-N 2 2 347.488 2.021 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+](Cc3cncs3)C2)c[nH+]1 ZINC001437724724 1090277925 /nfs/dbraw/zinc/27/79/25/1090277925.db2.gz ZGBWDUBJGKPHKQ-AWEZNQCLSA-N 2 2 347.488 2.021 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001439132361 1091777006 /nfs/dbraw/zinc/77/70/06/1091777006.db2.gz XKXNYAMIZICPOY-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP Cc1ncc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001445887381 1091815483 /nfs/dbraw/zinc/81/54/83/1091815483.db2.gz UATSRKMCPXTMOP-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1ncc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001445887381 1091815489 /nfs/dbraw/zinc/81/54/89/1091815489.db2.gz UATSRKMCPXTMOP-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2cc3ccccc3o2)C1 ZINC001439545895 1092415553 /nfs/dbraw/zinc/41/55/53/1092415553.db2.gz JPLGNEVXELNEQR-WBVHZDCISA-N 2 2 341.455 2.465 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2cc3ccccc3o2)C1 ZINC001439545895 1092415558 /nfs/dbraw/zinc/41/55/58/1092415558.db2.gz JPLGNEVXELNEQR-WBVHZDCISA-N 2 2 341.455 2.465 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC001439545895 1092415563 /nfs/dbraw/zinc/41/55/63/1092415563.db2.gz JPLGNEVXELNEQR-WBVHZDCISA-N 2 2 341.455 2.465 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC001439545895 1092415566 /nfs/dbraw/zinc/41/55/66/1092415566.db2.gz JPLGNEVXELNEQR-WBVHZDCISA-N 2 2 341.455 2.465 10 0 EEAELP Cc1cc(C[NH+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)no1 ZINC001439939254 1093037387 /nfs/dbraw/zinc/03/73/87/1093037387.db2.gz KVBTZHOZMZCVAC-HKUYNNGSSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cc(C[NH+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)no1 ZINC001439939254 1093037397 /nfs/dbraw/zinc/03/73/97/1093037397.db2.gz KVBTZHOZMZCVAC-HKUYNNGSSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)no1 ZINC001439939254 1093037403 /nfs/dbraw/zinc/03/74/03/1093037403.db2.gz KVBTZHOZMZCVAC-HKUYNNGSSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)no1 ZINC001439939254 1093037408 /nfs/dbraw/zinc/03/74/08/1093037408.db2.gz KVBTZHOZMZCVAC-HKUYNNGSSA-N 2 2 348.491 2.186 10 0 EEAELP CC[C@@H](C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)OC ZINC001448499597 1093525767 /nfs/dbraw/zinc/52/57/67/1093525767.db2.gz DZPSWECBVKVVBH-QEJZJMRPSA-N 2 2 330.432 2.086 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001440397998 1093579408 /nfs/dbraw/zinc/57/94/08/1093579408.db2.gz CVLPZWGRIILOKU-GXTWGEPZSA-N 2 2 348.397 2.305 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1nccs1 ZINC001440503320 1093746246 /nfs/dbraw/zinc/74/62/46/1093746246.db2.gz JZFDSTPERVVYKZ-CABCVRRESA-N 2 2 336.505 2.098 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1nccs1 ZINC001440503320 1093746250 /nfs/dbraw/zinc/74/62/50/1093746250.db2.gz JZFDSTPERVVYKZ-CABCVRRESA-N 2 2 336.505 2.098 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cccc(F)c1 ZINC001448706993 1093774399 /nfs/dbraw/zinc/77/43/99/1093774399.db2.gz WGESPGHZGGVGJO-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP C[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](Cc1ccccn1)C2 ZINC001440579400 1093850495 /nfs/dbraw/zinc/85/04/95/1093850495.db2.gz NFJIWBXPBLHBHX-UHFFFAOYSA-N 2 2 338.455 2.165 10 0 EEAELP C[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@H+](Cc1ccccn1)C2 ZINC001440579400 1093850497 /nfs/dbraw/zinc/85/04/97/1093850497.db2.gz NFJIWBXPBLHBHX-UHFFFAOYSA-N 2 2 338.455 2.165 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC001440620718 1093889453 /nfs/dbraw/zinc/88/94/53/1093889453.db2.gz FONGSESAKMGZMD-DLBZAZTESA-N 2 2 348.491 2.266 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC001440620718 1093889458 /nfs/dbraw/zinc/88/94/58/1093889458.db2.gz FONGSESAKMGZMD-DLBZAZTESA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC001440620718 1093889462 /nfs/dbraw/zinc/88/94/62/1093889462.db2.gz FONGSESAKMGZMD-DLBZAZTESA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC001440620718 1093889468 /nfs/dbraw/zinc/88/94/68/1093889468.db2.gz FONGSESAKMGZMD-DLBZAZTESA-N 2 2 348.491 2.266 10 0 EEAELP CC[C@@H](C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)OC ZINC001440733451 1093981342 /nfs/dbraw/zinc/98/13/42/1093981342.db2.gz ITLCTDPVKMNTBW-CABCVRRESA-N 2 2 336.480 2.035 10 0 EEAELP CC[C@@H](C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)OC ZINC001440733451 1093981346 /nfs/dbraw/zinc/98/13/46/1093981346.db2.gz ITLCTDPVKMNTBW-CABCVRRESA-N 2 2 336.480 2.035 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001440855265 1094115702 /nfs/dbraw/zinc/11/57/02/1094115702.db2.gz YYORKQSFVCBJIT-KGLIPLIRSA-N 2 2 332.423 2.175 10 0 EEAELP CCc1ccc(CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001440855993 1094116166 /nfs/dbraw/zinc/11/61/66/1094116166.db2.gz VBVGTNQEWKKRQM-HZPDHXFCSA-N 2 2 328.460 2.171 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(Cl)s2)C1 ZINC001441192346 1094551215 /nfs/dbraw/zinc/55/12/15/1094551215.db2.gz GRUXMVXNGCVEBP-LBPRGKRZSA-N 2 2 341.908 2.434 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)C1C[NH+](Cc2cncs2)C1 ZINC001441195362 1094554821 /nfs/dbraw/zinc/55/48/21/1094554821.db2.gz QMBZZYFGPLVBOY-CYBMUJFWSA-N 2 2 347.488 2.065 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC001441205477 1094567737 /nfs/dbraw/zinc/56/77/37/1094567737.db2.gz JYTUZBKJDXHBCZ-CYBMUJFWSA-N 2 2 339.430 2.243 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC001441205477 1094567739 /nfs/dbraw/zinc/56/77/39/1094567739.db2.gz JYTUZBKJDXHBCZ-CYBMUJFWSA-N 2 2 339.430 2.243 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001441455804 1095105527 /nfs/dbraw/zinc/10/55/27/1095105527.db2.gz JNPGRFWNMPENKR-GUYCJALGSA-N 2 2 345.447 2.157 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nccs1 ZINC001441515702 1095210610 /nfs/dbraw/zinc/21/06/10/1095210610.db2.gz YXMXXFSZMOKCOE-KGLIPLIRSA-N 2 2 349.504 2.490 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccccc1 ZINC001441565120 1095324548 /nfs/dbraw/zinc/32/45/48/1095324548.db2.gz VIMQEWTWWZXBND-NVXWUHKLSA-N 2 2 326.444 2.082 10 0 EEAELP Cc1conc1C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001441636359 1095540383 /nfs/dbraw/zinc/54/03/83/1095540383.db2.gz BFSXCAVOKVLXCS-WBVHZDCISA-N 2 2 336.480 2.040 10 0 EEAELP Cc1conc1C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001441636359 1095540392 /nfs/dbraw/zinc/54/03/92/1095540392.db2.gz BFSXCAVOKVLXCS-WBVHZDCISA-N 2 2 336.480 2.040 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]Cc2cncs2)C1 ZINC001441893500 1096033646 /nfs/dbraw/zinc/03/36/46/1096033646.db2.gz DEHMUDZXRJQIGH-LSDHHAIUSA-N 2 2 347.488 2.195 10 0 EEAELP CN(C(=O)CCc1[nH+]ccn1C)C1CC([NH2+]Cc2ccsc2)C1 ZINC001442235760 1096535793 /nfs/dbraw/zinc/53/57/93/1096535793.db2.gz KUIXDHVJPHUHJA-UHFFFAOYSA-N 2 2 332.473 2.193 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1cncs1)[NH+]1CCCCC1 ZINC001442623239 1096991821 /nfs/dbraw/zinc/99/18/21/1096991821.db2.gz XFFJVEUWXBTAMY-INIZCTEOSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@@H+](C)Cc1cncs1)[NH+]1CCCCC1 ZINC001442623239 1096991822 /nfs/dbraw/zinc/99/18/22/1096991822.db2.gz XFFJVEUWXBTAMY-INIZCTEOSA-N 2 2 338.521 2.202 10 0 EEAELP CC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001443344433 1097865340 /nfs/dbraw/zinc/86/53/40/1097865340.db2.gz DEMBDQLFCHPUAX-GOSISDBHSA-N 2 2 326.444 2.396 10 0 EEAELP CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)Cn2cc[nH+]c2)C1 ZINC001443344433 1097865344 /nfs/dbraw/zinc/86/53/44/1097865344.db2.gz DEMBDQLFCHPUAX-GOSISDBHSA-N 2 2 326.444 2.396 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001443868641 1098393946 /nfs/dbraw/zinc/39/39/46/1098393946.db2.gz KVGOVSBMEZFHCX-JKSUJKDBSA-N 2 2 345.447 2.172 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001443868641 1098393954 /nfs/dbraw/zinc/39/39/54/1098393954.db2.gz KVGOVSBMEZFHCX-JKSUJKDBSA-N 2 2 345.447 2.172 10 0 EEAELP Cc1ccncc1C[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001479800288 1099028849 /nfs/dbraw/zinc/02/88/49/1099028849.db2.gz URCWPJAXRBXYOZ-MRXNPFEDSA-N 2 2 329.448 2.176 10 0 EEAELP Cc1ccncc1C[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001479800288 1099028861 /nfs/dbraw/zinc/02/88/61/1099028861.db2.gz URCWPJAXRBXYOZ-MRXNPFEDSA-N 2 2 329.448 2.176 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1OC1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001444727806 1099601966 /nfs/dbraw/zinc/60/19/66/1099601966.db2.gz OVMZEUNZCWTYOJ-HNNXBMFYSA-N 2 2 342.443 2.061 10 0 EEAELP Cc1cc(C)c(C(=O)N2CC[C@H]([NH2+]CCOCC3CC3)C2)c(C)[nH+]1 ZINC001480114032 1099679526 /nfs/dbraw/zinc/67/95/26/1099679526.db2.gz CHNJZDDFDCZMRJ-KRWDZBQOSA-N 2 2 331.460 2.238 10 0 EEAELP COCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001480373728 1100156817 /nfs/dbraw/zinc/15/68/17/1100156817.db2.gz RXYMGJHKIIELMP-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001480373728 1100156821 /nfs/dbraw/zinc/15/68/21/1100156821.db2.gz RXYMGJHKIIELMP-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP Cc1nc(C[NH2+]C2CCC(NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)co1 ZINC001480408867 1100224891 /nfs/dbraw/zinc/22/48/91/1100224891.db2.gz ZDPLBBIFLBEZRM-JEYLPNPQSA-N 2 2 345.447 2.348 10 0 EEAELP Cc1ccccc1CCC[NH+]1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001446378296 1100755704 /nfs/dbraw/zinc/75/57/04/1100755704.db2.gz DSUDOWZORLIMSA-UHFFFAOYSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@@H](C[NH2+]CC/C=C\c1ccccc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496241308 1100809308 /nfs/dbraw/zinc/80/93/08/1100809308.db2.gz BBRKMSDFRMXPNA-IVEQORNPSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@@H](CC(=O)NC1(C[NH2+]CC[C@H]2CCOC2)CCCC1)n1cc[nH+]c1 ZINC001495190505 1100868959 /nfs/dbraw/zinc/86/89/59/1100868959.db2.gz AMJYNZKBEFTUHU-IRXDYDNUSA-N 2 2 348.491 2.279 10 0 EEAELP CC1(NC(=O)Cn2cc[nH+]c2)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001446473484 1100897752 /nfs/dbraw/zinc/89/77/52/1100897752.db2.gz BSLQQHRDZMNFHT-IXDOHACOSA-N 2 2 330.476 2.290 10 0 EEAELP CC(C)=CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001496562650 1101164759 /nfs/dbraw/zinc/16/47/59/1101164759.db2.gz SUQRFLMOZWTINE-ZWKOTPCHSA-N 2 2 347.507 2.487 10 0 EEAELP CC(C)=CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001496562650 1101164761 /nfs/dbraw/zinc/16/47/61/1101164761.db2.gz SUQRFLMOZWTINE-ZWKOTPCHSA-N 2 2 347.507 2.487 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)Cc1cc(C)ccc1F ZINC001496835462 1101564164 /nfs/dbraw/zinc/56/41/64/1101564164.db2.gz KDRYHLMWVIINDX-UHFFFAOYSA-N 2 2 332.423 2.229 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)Cc1cc(C)ccc1F ZINC001496835462 1101564174 /nfs/dbraw/zinc/56/41/74/1101564174.db2.gz KDRYHLMWVIINDX-UHFFFAOYSA-N 2 2 332.423 2.229 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccnc(Cl)c2)CCCC1 ZINC001495965842 1101850195 /nfs/dbraw/zinc/85/01/95/1101850195.db2.gz UOLVIQBZPDYNJK-UHFFFAOYSA-N 2 2 347.850 2.150 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001496172576 1102169414 /nfs/dbraw/zinc/16/94/14/1102169414.db2.gz PSOVTYNELMTOJK-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@H](CC[NH2+][C@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497296877 1102272682 /nfs/dbraw/zinc/27/26/82/1102272682.db2.gz HRYCVIGQTNUTBV-BZNIZROVSA-N 2 2 348.397 2.402 10 0 EEAELP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497416910 1102455389 /nfs/dbraw/zinc/45/53/89/1102455389.db2.gz FVYJXPDFYJRIHR-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)oc1C ZINC001497620836 1102760245 /nfs/dbraw/zinc/76/02/45/1102760245.db2.gz MCHSGMARFUFUMF-KEGWNNHHSA-N 2 2 348.491 2.174 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)oc1C ZINC001497620836 1102760259 /nfs/dbraw/zinc/76/02/59/1102760259.db2.gz MCHSGMARFUFUMF-KEGWNNHHSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497763341 1103054118 /nfs/dbraw/zinc/05/41/18/1103054118.db2.gz LFSCDJNWSBBWJZ-JQBDECOXSA-N 2 2 346.475 2.187 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C\C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497763341 1103054139 /nfs/dbraw/zinc/05/41/39/1103054139.db2.gz LFSCDJNWSBBWJZ-JQBDECOXSA-N 2 2 346.475 2.187 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)CCc1[nH+]ccn1C ZINC001497866906 1103224564 /nfs/dbraw/zinc/22/45/64/1103224564.db2.gz RGJLEGORGCTRSN-CXOKCQFOSA-N 2 2 326.444 2.160 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001494084593 1103497221 /nfs/dbraw/zinc/49/72/21/1103497221.db2.gz HYQKZVFOSQXANL-MRXNPFEDSA-N 2 2 344.434 2.093 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001494084593 1103497226 /nfs/dbraw/zinc/49/72/26/1103497226.db2.gz HYQKZVFOSQXANL-MRXNPFEDSA-N 2 2 344.434 2.093 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494273723 1103788876 /nfs/dbraw/zinc/78/88/76/1103788876.db2.gz WJUYQVASJYLQFH-NMBNSIPYSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494273723 1103788886 /nfs/dbraw/zinc/78/88/86/1103788886.db2.gz WJUYQVASJYLQFH-NMBNSIPYSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCc1ccccc1 ZINC001448043853 1103882204 /nfs/dbraw/zinc/88/22/04/1103882204.db2.gz IMQJXAXJWCLJBG-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCc1ccccc1 ZINC001448043853 1103882215 /nfs/dbraw/zinc/88/22/15/1103882215.db2.gz IMQJXAXJWCLJBG-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1csc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001448078547 1103952425 /nfs/dbraw/zinc/95/24/25/1103952425.db2.gz IWJAHOHBOGXOHX-KKUMJFAQSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001448078547 1103952429 /nfs/dbraw/zinc/95/24/29/1103952429.db2.gz IWJAHOHBOGXOHX-KKUMJFAQSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC001448078547 1103952434 /nfs/dbraw/zinc/95/24/34/1103952434.db2.gz IWJAHOHBOGXOHX-KKUMJFAQSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC001448078547 1103952439 /nfs/dbraw/zinc/95/24/39/1103952439.db2.gz IWJAHOHBOGXOHX-KKUMJFAQSA-N 2 2 338.521 2.118 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001480694819 1106901073 /nfs/dbraw/zinc/90/10/73/1106901073.db2.gz IROQNNABIBVRQJ-RJOXODDCSA-N 2 2 337.851 2.402 10 0 EEAELP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001498367942 1107401080 /nfs/dbraw/zinc/40/10/80/1107401080.db2.gz ZNWCQPOJLICJFQ-AEFFLSMTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001498367942 1107401085 /nfs/dbraw/zinc/40/10/85/1107401085.db2.gz ZNWCQPOJLICJFQ-AEFFLSMTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001498367942 1107401089 /nfs/dbraw/zinc/40/10/89/1107401089.db2.gz ZNWCQPOJLICJFQ-AEFFLSMTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001498367942 1107401092 /nfs/dbraw/zinc/40/10/92/1107401092.db2.gz ZNWCQPOJLICJFQ-AEFFLSMTSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccc(Cl)nc1)NC(=O)CCCn1cc[nH+]c1 ZINC001498464887 1107580140 /nfs/dbraw/zinc/58/01/40/1107580140.db2.gz CJKBEPYMMXPHEK-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccc(Cl)nc1)NC(=O)CCCn1cc[nH+]c1 ZINC001498464887 1107580145 /nfs/dbraw/zinc/58/01/45/1107580145.db2.gz CJKBEPYMMXPHEK-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1F ZINC001493585556 1108359350 /nfs/dbraw/zinc/35/93/50/1108359350.db2.gz VWZXLJOKHDVKTK-HUUCEWRRSA-N 2 2 330.407 2.209 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1F ZINC001493585556 1108359364 /nfs/dbraw/zinc/35/93/64/1108359364.db2.gz VWZXLJOKHDVKTK-HUUCEWRRSA-N 2 2 330.407 2.209 10 0 EEAELP CC[C@H]1CCCC[C@@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001470349967 1110505282 /nfs/dbraw/zinc/50/52/82/1110505282.db2.gz ABKWTNDITDXWPH-DLBZAZTESA-N 2 2 326.529 2.386 10 0 EEAELP CC[C@H]1CCCC[C@@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001470349967 1110505283 /nfs/dbraw/zinc/50/52/83/1110505283.db2.gz ABKWTNDITDXWPH-DLBZAZTESA-N 2 2 326.529 2.386 10 0 EEAELP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001473759865 1110579870 /nfs/dbraw/zinc/57/98/70/1110579870.db2.gz QKLRSYWUQAZQHM-IAGOWNOFSA-N 2 2 332.492 2.485 10 0 EEAELP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001473759865 1110579871 /nfs/dbraw/zinc/57/98/71/1110579871.db2.gz QKLRSYWUQAZQHM-IAGOWNOFSA-N 2 2 332.492 2.485 10 0 EEAELP C[C@@H]1Cc2n[nH]cc2C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473796594 1110581364 /nfs/dbraw/zinc/58/13/64/1110581364.db2.gz KDXVALBPJPMDBM-OXQOHEQNSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@@H]1Cc2n[nH]cc2C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473796594 1110581366 /nfs/dbraw/zinc/58/13/66/1110581366.db2.gz KDXVALBPJPMDBM-OXQOHEQNSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@@H]1Cc2n[nH]cc2C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001473796594 1110581368 /nfs/dbraw/zinc/58/13/68/1110581368.db2.gz KDXVALBPJPMDBM-OXQOHEQNSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@@H]1Cc2n[nH]cc2C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001473796594 1110581369 /nfs/dbraw/zinc/58/13/69/1110581369.db2.gz KDXVALBPJPMDBM-OXQOHEQNSA-N 2 2 340.471 2.041 10 0 EEAELP CO[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001499496161 1112322011 /nfs/dbraw/zinc/32/20/11/1112322011.db2.gz RRDAJYCLAWZZRF-WZYMTQMTSA-N 2 2 348.491 2.224 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001502360111 1113645471 /nfs/dbraw/zinc/64/54/71/1113645471.db2.gz LMQPXMJZIXTICO-UHFFFAOYSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001502360111 1113645474 /nfs/dbraw/zinc/64/54/74/1113645474.db2.gz LMQPXMJZIXTICO-UHFFFAOYSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001506045730 1114371665 /nfs/dbraw/zinc/37/16/65/1114371665.db2.gz CINJTRWRPLISLN-FZKQIMNGSA-N 2 2 326.444 2.385 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001506045730 1114371668 /nfs/dbraw/zinc/37/16/68/1114371668.db2.gz CINJTRWRPLISLN-FZKQIMNGSA-N 2 2 326.444 2.385 10 0 EEAELP CCCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001506068957 1114392602 /nfs/dbraw/zinc/39/26/02/1114392602.db2.gz FLKJHBWBBJBDRZ-MRXNPFEDSA-N 2 2 328.460 2.472 10 0 EEAELP CCCc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001506068957 1114392606 /nfs/dbraw/zinc/39/26/06/1114392606.db2.gz FLKJHBWBBJBDRZ-MRXNPFEDSA-N 2 2 328.460 2.472 10 0 EEAELP CCCC[C@H](C[NH2+]Cc1cc(C)on1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506541268 1114685744 /nfs/dbraw/zinc/68/57/44/1114685744.db2.gz YMKFGCMJZORABM-NVXWUHKLSA-N 2 2 336.480 2.232 10 0 EEAELP CCCC[C@H](C[NH2+]Cc1cc(C)on1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001506541268 1114685746 /nfs/dbraw/zinc/68/57/46/1114685746.db2.gz YMKFGCMJZORABM-NVXWUHKLSA-N 2 2 336.480 2.232 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2nccs2)CC1(C)C ZINC001506751913 1114865947 /nfs/dbraw/zinc/86/59/47/1114865947.db2.gz XBULTGREEGAIAS-CQSZACIVSA-N 2 2 338.521 2.202 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@@H+](Cc2nccs2)CC1(C)C ZINC001506751913 1114865952 /nfs/dbraw/zinc/86/59/52/1114865952.db2.gz 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ZINC000328655200 258019558 /nfs/dbraw/zinc/01/95/58/258019558.db2.gz YDFBDRMYUNOBOC-FUHWJXTLSA-N 3 2 330.480 2.022 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCCn3cc[nH+]c3)CCC[NH+]2C)cn1 ZINC000328655200 258019560 /nfs/dbraw/zinc/01/95/60/258019560.db2.gz YDFBDRMYUNOBOC-FUHWJXTLSA-N 3 2 330.480 2.022 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)CCCn3cc[nH+]c3)CCC[N@@H+]2C)cn1 ZINC000328655200 258019562 /nfs/dbraw/zinc/01/95/62/258019562.db2.gz YDFBDRMYUNOBOC-FUHWJXTLSA-N 3 2 330.480 2.022 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)CCCn3cc[nH+]c3)CCC[N@H+]2C)cn1 ZINC000328655200 258019563 /nfs/dbraw/zinc/01/95/63/258019563.db2.gz YDFBDRMYUNOBOC-FUHWJXTLSA-N 3 2 330.480 2.022 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@H+](C)CCCn3cc[nH+]c3)CCCN2C)cn1 ZINC000328655200 258019564 /nfs/dbraw/zinc/01/95/64/258019564.db2.gz YDFBDRMYUNOBOC-FUHWJXTLSA-N 2 2 330.480 2.022 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCCn3cc[nH+]c3)CCCN2C)cn1 ZINC000328655200 258019566 /nfs/dbraw/zinc/01/95/66/258019566.db2.gz YDFBDRMYUNOBOC-FUHWJXTLSA-N 2 2 330.480 2.022 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172648741 152105422 /nfs/dbraw/zinc/10/54/22/152105422.db2.gz GEQAMTJAAIXGIV-INIZCTEOSA-N 2 2 330.476 2.109 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172648741 152105424 /nfs/dbraw/zinc/10/54/24/152105424.db2.gz GEQAMTJAAIXGIV-INIZCTEOSA-N 2 2 330.476 2.109 10 0 EEAELP OC[C@@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000119494469 159378533 /nfs/dbraw/zinc/37/85/33/159378533.db2.gz VVGUFLDPQBYVAG-OAHLLOKOSA-N 2 2 346.394 2.399 10 0 EEAELP CCOc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000120050434 159385201 /nfs/dbraw/zinc/38/52/01/159385201.db2.gz QEEBZIHNYRFKPV-SFHVURJKSA-N 2 2 332.492 2.082 10 0 EEAELP CCOc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000120050434 159385202 /nfs/dbraw/zinc/38/52/02/159385202.db2.gz QEEBZIHNYRFKPV-SFHVURJKSA-N 2 2 332.492 2.082 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193645436 160184817 /nfs/dbraw/zinc/18/48/17/160184817.db2.gz LHQFEHGVIUCEKG-BFQNTYOBSA-N 2 2 337.826 2.078 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193645436 160184818 /nfs/dbraw/zinc/18/48/18/160184818.db2.gz LHQFEHGVIUCEKG-BFQNTYOBSA-N 2 2 337.826 2.078 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193645436 160184819 /nfs/dbraw/zinc/18/48/19/160184819.db2.gz LHQFEHGVIUCEKG-BFQNTYOBSA-N 2 2 337.826 2.078 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193645436 160184820 /nfs/dbraw/zinc/18/48/20/160184820.db2.gz LHQFEHGVIUCEKG-BFQNTYOBSA-N 2 2 337.826 2.078 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437961 160235582 /nfs/dbraw/zinc/23/55/82/160235582.db2.gz RVIYOSRQJQHJMD-YOEHRIQHSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437961 160235583 /nfs/dbraw/zinc/23/55/83/160235583.db2.gz RVIYOSRQJQHJMD-YOEHRIQHSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437961 160235584 /nfs/dbraw/zinc/23/55/84/160235584.db2.gz RVIYOSRQJQHJMD-YOEHRIQHSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437961 160235585 /nfs/dbraw/zinc/23/55/85/160235585.db2.gz RVIYOSRQJQHJMD-YOEHRIQHSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246098597 160263260 /nfs/dbraw/zinc/26/32/60/160263260.db2.gz OZOBPEPREJJOJP-KDOFPFPSSA-N 2 2 342.443 2.079 10 0 EEAELP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246098597 160263261 /nfs/dbraw/zinc/26/32/61/160263261.db2.gz OZOBPEPREJJOJP-KDOFPFPSSA-N 2 2 342.443 2.079 10 0 EEAELP Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246619555 160286998 /nfs/dbraw/zinc/28/69/98/160286998.db2.gz QJMNAIFIGCNKCH-WMZOPIPTSA-N 2 2 326.444 2.391 10 0 EEAELP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246619555 160287000 /nfs/dbraw/zinc/28/70/00/160287000.db2.gz QJMNAIFIGCNKCH-WMZOPIPTSA-N 2 2 326.444 2.391 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC[C@H]21 ZINC000247333221 160320659 /nfs/dbraw/zinc/32/06/59/160320659.db2.gz XALLOWWAMOFREH-CZUORRHYSA-N 2 2 346.862 2.264 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC[C@H]21 ZINC000247333221 160320661 /nfs/dbraw/zinc/32/06/61/160320661.db2.gz XALLOWWAMOFREH-CZUORRHYSA-N 2 2 346.862 2.264 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC[C@H]21 ZINC000247333221 160320662 /nfs/dbraw/zinc/32/06/62/160320662.db2.gz XALLOWWAMOFREH-CZUORRHYSA-N 2 2 346.862 2.264 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC[C@H]21 ZINC000247333221 160320664 /nfs/dbraw/zinc/32/06/64/160320664.db2.gz XALLOWWAMOFREH-CZUORRHYSA-N 2 2 346.862 2.264 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)CS(C)(=O)=O ZINC000342375423 161060786 /nfs/dbraw/zinc/06/07/86/161060786.db2.gz NBYYRBPIUBEPGT-SJORKVTESA-N 2 2 330.538 2.255 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)CS(C)(=O)=O ZINC000342375423 161060787 /nfs/dbraw/zinc/06/07/87/161060787.db2.gz NBYYRBPIUBEPGT-SJORKVTESA-N 2 2 330.538 2.255 10 0 EEAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000343984693 161186594 /nfs/dbraw/zinc/18/65/94/161186594.db2.gz PLEMECIYZCMLGW-IXDOHACOSA-N 2 2 349.523 2.431 10 0 EEAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000343984693 161186595 /nfs/dbraw/zinc/18/65/95/161186595.db2.gz PLEMECIYZCMLGW-IXDOHACOSA-N 2 2 349.523 2.431 10 0 EEAELP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1OC ZINC000355644981 163258127 /nfs/dbraw/zinc/25/81/27/163258127.db2.gz CEXDECLEXJUTJL-UHFFFAOYSA-N 2 2 343.427 2.430 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123726396 222324425 /nfs/dbraw/zinc/32/44/25/222324425.db2.gz SMAIYWAMHPMYGX-HRCADAONSA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123726396 222324427 /nfs/dbraw/zinc/32/44/27/222324427.db2.gz SMAIYWAMHPMYGX-HRCADAONSA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123726396 222324428 /nfs/dbraw/zinc/32/44/28/222324428.db2.gz SMAIYWAMHPMYGX-HRCADAONSA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123726396 222324431 /nfs/dbraw/zinc/32/44/31/222324431.db2.gz SMAIYWAMHPMYGX-HRCADAONSA-N 2 2 333.476 2.287 10 0 EEAELP CCc1nc(N2CC[C@@H](Oc3ccc[nH+]c3N(C)C)C2)cc(C)[nH+]1 ZINC000287866412 275000632 /nfs/dbraw/zinc/00/06/32/275000632.db2.gz STXDTDLMAMYGQT-CQSZACIVSA-N 2 2 327.432 2.466 10 0 EEAELP CCC[N@H+](CCc1c[nH+]cn1C)CC(=O)Nc1ccccc1OC ZINC000289374510 275112130 /nfs/dbraw/zinc/11/21/30/275112130.db2.gz PLPNWKMTFQNHRP-UHFFFAOYSA-N 2 2 330.432 2.322 10 0 EEAELP CCC[N@@H+](CCc1c[nH+]cn1C)CC(=O)Nc1ccccc1OC ZINC000289374510 275112131 /nfs/dbraw/zinc/11/21/31/275112131.db2.gz PLPNWKMTFQNHRP-UHFFFAOYSA-N 2 2 330.432 2.322 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292139870 275382787 /nfs/dbraw/zinc/38/27/87/275382787.db2.gz MGPLNGACUUQYET-JXFKEZNVSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292139870 275382789 /nfs/dbraw/zinc/38/27/89/275382789.db2.gz MGPLNGACUUQYET-JXFKEZNVSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292139870 275382792 /nfs/dbraw/zinc/38/27/92/275382792.db2.gz MGPLNGACUUQYET-JXFKEZNVSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292139870 275382793 /nfs/dbraw/zinc/38/27/93/275382793.db2.gz MGPLNGACUUQYET-JXFKEZNVSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292179628 275389066 /nfs/dbraw/zinc/38/90/66/275389066.db2.gz QLCVNBADYQMTPS-KBXCAEBGSA-N 2 2 333.501 2.049 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292179628 275389067 /nfs/dbraw/zinc/38/90/67/275389067.db2.gz QLCVNBADYQMTPS-KBXCAEBGSA-N 2 2 333.501 2.049 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292179628 275389068 /nfs/dbraw/zinc/38/90/68/275389068.db2.gz QLCVNBADYQMTPS-KBXCAEBGSA-N 2 2 333.501 2.049 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292179628 275389069 /nfs/dbraw/zinc/38/90/69/275389069.db2.gz QLCVNBADYQMTPS-KBXCAEBGSA-N 2 2 333.501 2.049 10 0 EEAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427696127 277103255 /nfs/dbraw/zinc/10/32/55/277103255.db2.gz INBGSWMDMGKORQ-CJNGLKHVSA-N 2 2 342.409 2.313 10 0 EEAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427696127 277103256 /nfs/dbraw/zinc/10/32/56/277103256.db2.gz INBGSWMDMGKORQ-CJNGLKHVSA-N 2 2 342.409 2.313 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)CCC2 ZINC000371556090 279004164 /nfs/dbraw/zinc/00/41/64/279004164.db2.gz WPFXQCGTNVRJRS-SOUVJXGZSA-N 2 2 325.478 2.014 10 0 EEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247361161 279125644 /nfs/dbraw/zinc/12/56/44/279125644.db2.gz HIXZAAGRFRQVDB-BBWFWOEESA-N 2 2 335.496 2.452 10 0 EEAELP Cc1nc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)cc2o1 ZINC000376097344 282059116 /nfs/dbraw/zinc/05/91/16/282059116.db2.gz QARLVQIPZJHHJG-HNNXBMFYSA-N 2 2 342.443 2.035 10 0 EEAELP Cc1nc2ccc(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)cc2o1 ZINC000376097344 282059117 /nfs/dbraw/zinc/05/91/17/282059117.db2.gz QARLVQIPZJHHJG-HNNXBMFYSA-N 2 2 342.443 2.035 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H]2CCC[C@H]21 ZINC000353400587 290216466 /nfs/dbraw/zinc/21/64/66/290216466.db2.gz FWEGIJLVTXWMSL-GBESFXJTSA-N 3 2 335.536 2.484 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H]2CCC[C@H]21 ZINC000353400587 290216469 /nfs/dbraw/zinc/21/64/69/290216469.db2.gz FWEGIJLVTXWMSL-GBESFXJTSA-N 3 2 335.536 2.484 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000296617739 294022844 /nfs/dbraw/zinc/02/28/44/294022844.db2.gz KORLUQCYJJJCIV-WBVHZDCISA-N 2 2 341.459 2.223 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000296617739 294022848 /nfs/dbraw/zinc/02/28/48/294022848.db2.gz KORLUQCYJJJCIV-WBVHZDCISA-N 2 2 341.459 2.223 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)C12CCOCC2 ZINC000333241410 312117319 /nfs/dbraw/zinc/11/73/19/312117319.db2.gz INRRQYOIYSPTCM-XOYOTBSWSA-N 2 2 349.475 2.204 10 0 EEAELP Cc1nccc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000352704314 312386170 /nfs/dbraw/zinc/38/61/70/312386170.db2.gz ITIQNZLCYHTQTJ-UHFFFAOYSA-N 2 2 339.487 2.035 10 0 EEAELP Cc1nccc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000352704314 312386172 /nfs/dbraw/zinc/38/61/72/312386172.db2.gz ITIQNZLCYHTQTJ-UHFFFAOYSA-N 2 2 339.487 2.035 10 0 EEAELP COCC[NH2+]CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414891608 313107256 /nfs/dbraw/zinc/10/72/56/313107256.db2.gz WFEXWPNUOBFIPS-UHFFFAOYSA-N 2 2 343.475 2.386 10 0 EEAELP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(Br)c1O ZINC000414935975 313111730 /nfs/dbraw/zinc/11/17/30/313111730.db2.gz BDHIZTZEETUKNF-ONGXEEELSA-N 2 2 329.238 2.251 10 0 EEAELP CCCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[NH2+]C1 ZINC000417079517 313415674 /nfs/dbraw/zinc/41/56/74/313415674.db2.gz RJGBSJJYDYPIJK-SFHVURJKSA-N 2 2 341.459 2.215 10 0 EEAELP C[NH2+]CCCNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000417908392 313645184 /nfs/dbraw/zinc/64/51/84/313645184.db2.gz BHUBOYQLTFBCDV-QGZVFWFLSA-N 2 2 329.448 2.150 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418618639 313861957 /nfs/dbraw/zinc/86/19/57/313861957.db2.gz NMLYJDRQGHGXBW-HNTCUJBNSA-N 2 2 342.487 2.025 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1)[C@H](C)[NH3+] ZINC000418709842 313886032 /nfs/dbraw/zinc/88/60/32/313886032.db2.gz VEJNUHLXRVICNJ-MJBXVCDLSA-N 2 2 338.883 2.464 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000455294185 315671094 /nfs/dbraw/zinc/67/10/94/315671094.db2.gz NGNIQOSAICVVSM-UHFFFAOYSA-N 2 2 335.496 2.460 10 0 EEAELP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000519855346 316835642 /nfs/dbraw/zinc/83/56/42/316835642.db2.gz FDSIXOYVTASLCY-USXIJHARSA-N 2 2 330.476 2.493 10 0 EEAELP COC[C@@H](C)CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000527105037 317153053 /nfs/dbraw/zinc/15/30/53/317153053.db2.gz YQOIHIPMBGMPCG-AWEZNQCLSA-N 2 2 332.448 2.132 10 0 EEAELP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000528000900 317300795 /nfs/dbraw/zinc/30/07/95/317300795.db2.gz FOGVIWKTADKQEZ-GOSISDBHSA-N 2 2 336.439 2.467 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)CC1 ZINC000543254528 318153955 /nfs/dbraw/zinc/15/39/55/318153955.db2.gz ZNDSCLPXOGOUQS-IEBWSBKVSA-N 2 2 329.488 2.337 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)CC1 ZINC000543254528 318153957 /nfs/dbraw/zinc/15/39/57/318153957.db2.gz ZNDSCLPXOGOUQS-IEBWSBKVSA-N 2 2 329.488 2.337 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2ccccn2)CC1 ZINC000543397534 318157725 /nfs/dbraw/zinc/15/77/25/318157725.db2.gz SXNNAHXEWGTWRO-UHFFFAOYSA-N 2 2 334.427 2.293 10 0 EEAELP Cn1c[nH+]cc1Cc1noc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000546556314 318252843 /nfs/dbraw/zinc/25/28/43/318252843.db2.gz YSEYZDOUZJKPBL-OAHLLOKOSA-N 2 2 338.415 2.169 10 0 EEAELP Cn1c[nH+]cc1Cc1noc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000546556314 318252845 /nfs/dbraw/zinc/25/28/45/318252845.db2.gz YSEYZDOUZJKPBL-OAHLLOKOSA-N 2 2 338.415 2.169 10 0 EEAELP C[C@H]1C[NH+](Cc2cccc(NC(=O)Cc3c[nH+]cn3C)c2)C[C@H](C)O1 ZINC000554514599 318559881 /nfs/dbraw/zinc/55/98/81/318559881.db2.gz APYINQJURISXRD-GJZGRUSLSA-N 2 2 342.443 2.211 10 0 EEAELP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@H](O)C(F)(F)F)CC2)c1 ZINC000564844305 319116912 /nfs/dbraw/zinc/11/69/12/319116912.db2.gz JZKIYHZAQFZBCX-INIZCTEOSA-N 2 2 345.409 2.020 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000564984778 319135550 /nfs/dbraw/zinc/13/55/50/319135550.db2.gz ATRNRDQWQGODNH-LJQANCHMSA-N 2 2 344.459 2.027 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1C ZINC000564984778 319135553 /nfs/dbraw/zinc/13/55/53/319135553.db2.gz ATRNRDQWQGODNH-LJQANCHMSA-N 2 2 344.459 2.027 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564986064 319136004 /nfs/dbraw/zinc/13/60/04/319136004.db2.gz DIDXHSUIXJJERW-QMTMVMCOSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564986064 319136006 /nfs/dbraw/zinc/13/60/06/319136006.db2.gz DIDXHSUIXJJERW-QMTMVMCOSA-N 2 2 333.451 2.467 10 0 EEAELP CN1CC[N@H+](C)C[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000566215845 319261002 /nfs/dbraw/zinc/26/10/02/319261002.db2.gz XSWPXJGPLUADHR-WOJBJXKFSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CC[N@@H+](C)C[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000566215845 319261003 /nfs/dbraw/zinc/26/10/03/319261003.db2.gz XSWPXJGPLUADHR-WOJBJXKFSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566215845 319261005 /nfs/dbraw/zinc/26/10/05/319261005.db2.gz XSWPXJGPLUADHR-WOJBJXKFSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CC[NH+](C)C[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566215845 319261007 /nfs/dbraw/zinc/26/10/07/319261007.db2.gz XSWPXJGPLUADHR-WOJBJXKFSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CCN(C)[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215845 319261009 /nfs/dbraw/zinc/26/10/09/319261009.db2.gz XSWPXJGPLUADHR-WOJBJXKFSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CCN(C)[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215845 319261010 /nfs/dbraw/zinc/26/10/10/319261010.db2.gz XSWPXJGPLUADHR-WOJBJXKFSA-N 2 2 342.531 2.019 10 0 EEAELP C[N@H+]1CCN(C(=O)CCCc2ccc(C(C)(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000575801520 320115184 /nfs/dbraw/zinc/11/51/84/320115184.db2.gz XNHUTACDWANASP-SFHVURJKSA-N 2 2 331.504 2.408 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c[nH+]1 ZINC000577494427 320258797 /nfs/dbraw/zinc/25/87/97/320258797.db2.gz VKDQTWZTWHPCKX-INIZCTEOSA-N 2 2 346.452 2.147 10 0 EEAELP COCC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000623951184 450649256 /nfs/dbraw/zinc/64/92/56/450649256.db2.gz CFVQPBNCCLIABT-CQSZACIVSA-N 2 2 325.416 2.405 10 0 EEAELP COCC[N@H+]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000623951184 450649257 /nfs/dbraw/zinc/64/92/57/450649257.db2.gz CFVQPBNCCLIABT-CQSZACIVSA-N 2 2 325.416 2.405 10 0 EEAELP Cc1nc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c(C)c(C)[nH+]1 ZINC000624705117 450956378 /nfs/dbraw/zinc/95/63/78/450956378.db2.gz IJPVHYBEZJSSTG-QGZVFWFLSA-N 2 2 327.432 2.110 10 0 EEAELP Cc1nc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c(C)c(C)[nH+]1 ZINC000624705117 450956382 /nfs/dbraw/zinc/95/63/82/450956382.db2.gz IJPVHYBEZJSSTG-QGZVFWFLSA-N 2 2 327.432 2.110 10 0 EEAELP Cc1cc(NCCNC(=O)NCC2(C)CC[NH2+]CC2)nc(C(C)C)[nH+]1 ZINC000627084584 451117076 /nfs/dbraw/zinc/11/70/76/451117076.db2.gz WSDQNCUAKRFWEB-UHFFFAOYSA-N 2 2 348.495 2.009 10 0 EEAELP Cc1nc(NCc2ccccc2C[N@H+](C)Cc2ccco2)nc(N)[nH+]1 ZINC000631127609 451598230 /nfs/dbraw/zinc/59/82/30/451598230.db2.gz GTVSCTCFBVWXGZ-UHFFFAOYSA-N 2 2 338.415 2.021 10 0 EEAELP Cc1nc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)nc(N)[nH+]1 ZINC000631127609 451598233 /nfs/dbraw/zinc/59/82/33/451598233.db2.gz GTVSCTCFBVWXGZ-UHFFFAOYSA-N 2 2 338.415 2.021 10 0 EEAELP Cc1nc(N)nc(NCc2ccccc2C[N@H+](C)Cc2ccco2)[nH+]1 ZINC000631127609 451598235 /nfs/dbraw/zinc/59/82/35/451598235.db2.gz GTVSCTCFBVWXGZ-UHFFFAOYSA-N 2 2 338.415 2.021 10 0 EEAELP Cc1nc(N)nc(NCc2ccccc2C[N@@H+](C)Cc2ccco2)[nH+]1 ZINC000631127609 451598237 /nfs/dbraw/zinc/59/82/37/451598237.db2.gz GTVSCTCFBVWXGZ-UHFFFAOYSA-N 2 2 338.415 2.021 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339226759 465151089 /nfs/dbraw/zinc/15/10/89/465151089.db2.gz MAFAQIPDYAVAOB-UHFFFAOYSA-N 2 2 337.427 2.231 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000046280847 462667373 /nfs/dbraw/zinc/66/73/73/462667373.db2.gz PQVDJULLDNUBPP-OAHLLOKOSA-N 2 2 338.521 2.306 10 0 EEAELP CC(C)C[NH+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000046943406 462722582 /nfs/dbraw/zinc/72/25/82/462722582.db2.gz HTVNKSYPPAIKIC-UHFFFAOYSA-N 2 2 345.491 2.034 10 0 EEAELP Cc1ccc([C@H](CNc2cc[nH+]c(N(C)C)n2)[NH+]2CCOCC2)cc1 ZINC000077192500 462949445 /nfs/dbraw/zinc/94/94/45/462949445.db2.gz YJNLLYQTDWWVBJ-KRWDZBQOSA-N 2 2 341.459 2.336 10 0 EEAELP C[NH+](C)[C@@H]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159232519 463276213 /nfs/dbraw/zinc/27/62/13/463276213.db2.gz HKSHIXJNSSZLJB-OAHLLOKOSA-N 2 2 343.431 2.130 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000139456183 463325197 /nfs/dbraw/zinc/32/51/97/463325197.db2.gz JACWQHFSGLEBEF-JKSUJKDBSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000139456183 463325200 /nfs/dbraw/zinc/32/52/00/463325200.db2.gz JACWQHFSGLEBEF-JKSUJKDBSA-N 2 2 345.422 2.042 10 0 EEAELP C[NH+]1CCC(CNC(=O)Nc2ccc(F)cn2)([NH+]2CCCCC2)CC1 ZINC000123254662 463328199 /nfs/dbraw/zinc/32/81/99/463328199.db2.gz KPBXIAYDJBCECU-UHFFFAOYSA-N 2 2 349.454 2.293 10 0 EEAELP Cc1cnn(C2C[NH+](C[C@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000071876824 463451325 /nfs/dbraw/zinc/45/13/25/463451325.db2.gz KJJMZISPBVFDIS-KRWDZBQOSA-N 2 2 339.443 2.076 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000105875642 463484687 /nfs/dbraw/zinc/48/46/87/463484687.db2.gz VMUJLKXCGFHYNX-UHFFFAOYSA-N 2 2 332.473 2.053 10 0 EEAELP C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCCCC2)C1 ZINC000072274268 463492673 /nfs/dbraw/zinc/49/26/73/463492673.db2.gz SBZKSVSSKFPCDN-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCC[N@@H+](Cc4cnn(C)c4)CC3)cn2c1 ZINC000105917627 463497090 /nfs/dbraw/zinc/49/70/90/463497090.db2.gz ZHZNUTLSYNHESR-UHFFFAOYSA-N 2 2 338.459 2.084 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCC[N@H+](Cc4cnn(C)c4)CC3)cn2c1 ZINC000105917627 463497097 /nfs/dbraw/zinc/49/70/97/463497097.db2.gz ZHZNUTLSYNHESR-UHFFFAOYSA-N 2 2 338.459 2.084 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000057819067 463521217 /nfs/dbraw/zinc/52/12/17/463521217.db2.gz QYIVGDZXEWHNHU-KRWDZBQOSA-N 2 2 345.491 2.355 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000057819067 463521220 /nfs/dbraw/zinc/52/12/20/463521220.db2.gz QYIVGDZXEWHNHU-KRWDZBQOSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(-n2cnnn2)cc1 ZINC000151547144 463550830 /nfs/dbraw/zinc/55/08/30/463550830.db2.gz QECDKDIYBYWYJQ-CQSZACIVSA-N 2 2 346.398 2.094 10 0 EEAELP Fc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CNc4ccnn4C3)CC2)cc1 ZINC000058315700 463576793 /nfs/dbraw/zinc/57/67/93/463576793.db2.gz YVGUROBWPJLBDW-INIZCTEOSA-N 2 2 343.450 2.318 10 0 EEAELP C[NH+]1CCC(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000043517645 463644590 /nfs/dbraw/zinc/64/45/90/463644590.db2.gz WIVPFSIHAXGCRR-UHFFFAOYSA-N 2 2 337.493 2.345 10 0 EEAELP Cc1ccc(O)c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000126835887 463665921 /nfs/dbraw/zinc/66/59/21/463665921.db2.gz AVZGFJYCZSGNNO-SJPCQFCGSA-N 2 2 343.471 2.084 10 0 EEAELP Cc1ccc(O)c(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000126835887 463665922 /nfs/dbraw/zinc/66/59/22/463665922.db2.gz AVZGFJYCZSGNNO-SJPCQFCGSA-N 2 2 343.471 2.084 10 0 EEAELP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168595427 463666736 /nfs/dbraw/zinc/66/67/36/463666736.db2.gz XCSXZDMZOKULJY-KBPBESRZSA-N 2 2 337.414 2.188 10 0 EEAELP O=C(C[C@@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168595427 463666738 /nfs/dbraw/zinc/66/67/38/463666738.db2.gz XCSXZDMZOKULJY-KBPBESRZSA-N 2 2 337.414 2.188 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)n1C ZINC000579496096 468369657 /nfs/dbraw/zinc/36/96/57/468369657.db2.gz XASAABSUZACJCD-OAHLLOKOSA-N 2 2 338.249 2.488 10 0 EEAELP C[C@H]1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000268339996 463709825 /nfs/dbraw/zinc/70/98/25/463709825.db2.gz ONPRNLOSBMLSPJ-GOEBONIOSA-N 2 2 342.447 2.209 10 0 EEAELP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000262261196 463984300 /nfs/dbraw/zinc/98/43/00/463984300.db2.gz RFMJKPHSLBLSRG-MDZRGWNJSA-N 2 2 340.427 2.343 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCn2ccnc2)C1 ZINC000195267349 464027963 /nfs/dbraw/zinc/02/79/63/464027963.db2.gz NJKIOZIAVVMDJS-MRXNPFEDSA-N 2 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCn2ccnc2)C1 ZINC000195267349 464027969 /nfs/dbraw/zinc/02/79/69/464027969.db2.gz NJKIOZIAVVMDJS-MRXNPFEDSA-N 2 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000195267349 464027972 /nfs/dbraw/zinc/02/79/72/464027972.db2.gz NJKIOZIAVVMDJS-MRXNPFEDSA-N 2 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000195267349 464027978 /nfs/dbraw/zinc/02/79/78/464027978.db2.gz NJKIOZIAVVMDJS-MRXNPFEDSA-N 2 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCCn2cc[nH+]c2)C1 ZINC000195267349 464027983 /nfs/dbraw/zinc/02/79/83/464027983.db2.gz NJKIOZIAVVMDJS-MRXNPFEDSA-N 3 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCCn2cc[nH+]c2)C1 ZINC000195267349 464027988 /nfs/dbraw/zinc/02/79/88/464027988.db2.gz NJKIOZIAVVMDJS-MRXNPFEDSA-N 3 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000195267349 464027991 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CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000173648472 464301837 /nfs/dbraw/zinc/30/18/37/464301837.db2.gz XQYNAZMMKCIDBJ-IAGOWNOFSA-N 2 2 341.459 2.145 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCc2ccoc2)([NH+]2CCCCC2)CC1 ZINC000174330419 464393749 /nfs/dbraw/zinc/39/37/49/464393749.db2.gz MLCRHQBYVXQNRH-UHFFFAOYSA-N 2 2 334.464 2.029 10 0 EEAELP CCn1c2ccc(F)cc2nc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174720277 464441692 /nfs/dbraw/zinc/44/16/92/464441692.db2.gz XXCLAOABEGAUEP-UHFFFAOYSA-N 2 2 347.482 2.265 10 0 EEAELP CCn1c2ccc(F)cc2nc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174720277 464441697 /nfs/dbraw/zinc/44/16/97/464441697.db2.gz XXCLAOABEGAUEP-UHFFFAOYSA-N 2 2 347.482 2.265 10 0 EEAELP COc1cccc(S(=O)(=O)CC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265531472 464594036 /nfs/dbraw/zinc/59/40/36/464594036.db2.gz VDDXVZMPKNMOIA-UHFFFAOYSA-N 2 2 349.456 2.072 10 0 EEAELP C[C@@H]1C[NH+](Cc2cccc(NC(=O)Cc3c[nH+]cn3C)c2)C[C@@H](C)O1 ZINC000554514601 468412258 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326.444 2.452 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC000533544113 468210508 /nfs/dbraw/zinc/21/05/08/468210508.db2.gz XOMFOLFEXDCQNY-QZTJIDSGSA-N 2 2 326.444 2.452 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000520302566 468240878 /nfs/dbraw/zinc/24/08/78/468240878.db2.gz RBFYUWULXIPBJP-MNZLEMJZSA-N 2 2 326.444 2.156 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC000520302566 468240880 /nfs/dbraw/zinc/24/08/80/468240880.db2.gz RBFYUWULXIPBJP-MNZLEMJZSA-N 2 2 326.444 2.156 10 0 EEAELP O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000569898932 468558821 /nfs/dbraw/zinc/55/88/21/468558821.db2.gz GCLNXWAVGSMINB-FRFSOERESA-N 2 2 333.457 2.296 10 0 EEAELP O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000569898932 468558824 /nfs/dbraw/zinc/55/88/24/468558824.db2.gz GCLNXWAVGSMINB-FRFSOERESA-N 2 2 333.457 2.296 10 0 EEAELP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc4ccccc4o3)cn2)CC1 ZINC000591927380 468573675 /nfs/dbraw/zinc/57/36/75/468573675.db2.gz CDZVBAYIEWASAZ-UHFFFAOYSA-N 2 2 337.427 2.264 10 0 EEAELP O=C1CCCN1CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571538843 468804529 /nfs/dbraw/zinc/80/45/29/468804529.db2.gz DPUOLGVQXYUFBU-MRXNPFEDSA-N 2 2 330.476 2.411 10 0 EEAELP O=C1CCCN1CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571538843 468804531 /nfs/dbraw/zinc/80/45/31/468804531.db2.gz DPUOLGVQXYUFBU-MRXNPFEDSA-N 2 2 330.476 2.411 10 0 EEAELP C[N@@H+]1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)[C@@H](C[NH3+])C1 ZINC000573223612 469087880 /nfs/dbraw/zinc/08/78/80/469087880.db2.gz QCJIKWWPHXEIGQ-HOTGVXAUSA-N 2 2 336.867 2.075 10 0 EEAELP C[N@H+]1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)[C@@H](C[NH3+])C1 ZINC000573223612 469087884 /nfs/dbraw/zinc/08/78/84/469087884.db2.gz QCJIKWWPHXEIGQ-HOTGVXAUSA-N 2 2 336.867 2.075 10 0 EEAELP CCS[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596457016 469272664 /nfs/dbraw/zinc/27/26/64/469272664.db2.gz BXTSEQKCWPSXSY-CVEARBPZSA-N 2 2 344.569 2.233 10 0 EEAELP CCS[C@H]1CCCC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596457016 469272671 /nfs/dbraw/zinc/27/26/71/469272671.db2.gz BXTSEQKCWPSXSY-CVEARBPZSA-N 2 2 344.569 2.233 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000629534047 469573906 /nfs/dbraw/zinc/57/39/06/469573906.db2.gz JYUFCFOSBKZNED-KGLIPLIRSA-N 2 2 335.414 2.251 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000629534047 469573911 /nfs/dbraw/zinc/57/39/11/469573911.db2.gz JYUFCFOSBKZNED-KGLIPLIRSA-N 2 2 335.414 2.251 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629583515 469583876 /nfs/dbraw/zinc/58/38/76/469583876.db2.gz BIVMPLLLBNIHEH-YSGRDPCXSA-N 2 2 329.488 2.358 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629583515 469583882 /nfs/dbraw/zinc/58/38/82/469583882.db2.gz BIVMPLLLBNIHEH-YSGRDPCXSA-N 2 2 329.488 2.358 10 0 EEAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000623264869 469602090 /nfs/dbraw/zinc/60/20/90/469602090.db2.gz WACUMELDIMXPKS-AEFFLSMTSA-N 2 2 342.418 2.118 10 0 EEAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000623264869 469602094 /nfs/dbraw/zinc/60/20/94/469602094.db2.gz WACUMELDIMXPKS-AEFFLSMTSA-N 2 2 342.418 2.118 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428917 469653963 /nfs/dbraw/zinc/65/39/63/469653963.db2.gz DXDBWUQUYQDPEB-UYAOXDASSA-N 3 2 331.504 2.086 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428917 469653966 /nfs/dbraw/zinc/65/39/66/469653966.db2.gz DXDBWUQUYQDPEB-UYAOXDASSA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623428917 469653970 /nfs/dbraw/zinc/65/39/70/469653970.db2.gz DXDBWUQUYQDPEB-UYAOXDASSA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+]1CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623428917 469653972 /nfs/dbraw/zinc/65/39/72/469653972.db2.gz DXDBWUQUYQDPEB-UYAOXDASSA-N 3 2 331.504 2.086 10 0 EEAELP Cc1ccc2c(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c[nH]c2c1 ZINC000617766503 469797946 /nfs/dbraw/zinc/79/79/46/469797946.db2.gz MWSZIMXGSRNKHR-UHFFFAOYSA-N 2 2 344.503 2.409 10 0 EEAELP Cc1ccc2c(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c[nH]c2c1 ZINC000617766503 469797951 /nfs/dbraw/zinc/79/79/51/469797951.db2.gz MWSZIMXGSRNKHR-UHFFFAOYSA-N 2 2 344.503 2.409 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1Br ZINC000617768603 469799378 /nfs/dbraw/zinc/79/93/78/469799378.db2.gz LUMGKSVGMKIJEH-UHFFFAOYSA-N 2 2 342.281 2.062 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1Br ZINC000617768603 469799379 /nfs/dbraw/zinc/79/93/79/469799379.db2.gz LUMGKSVGMKIJEH-UHFFFAOYSA-N 2 2 342.281 2.062 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C[NH2+]1 ZINC000627207630 469844995 /nfs/dbraw/zinc/84/49/95/469844995.db2.gz QTVKAZZDLGPJNG-BZUAXINKSA-N 2 2 345.491 2.249 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000608648141 469852596 /nfs/dbraw/zinc/85/25/96/469852596.db2.gz NVWFAQZUOANOLV-DLBZAZTESA-N 2 2 341.459 2.097 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000608648141 469852600 /nfs/dbraw/zinc/85/26/00/469852600.db2.gz NVWFAQZUOANOLV-DLBZAZTESA-N 2 2 341.459 2.097 10 0 EEAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333234 469908170 /nfs/dbraw/zinc/90/81/70/469908170.db2.gz NIHQWFBFHOFDLA-ZFWWWQNUSA-N 2 2 328.403 2.265 10 0 EEAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333234 469908172 /nfs/dbraw/zinc/90/81/72/469908172.db2.gz NIHQWFBFHOFDLA-ZFWWWQNUSA-N 2 2 328.403 2.265 10 0 EEAELP c1c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)nnn1C[C@@H]1CCOC1 ZINC000631083698 470064754 /nfs/dbraw/zinc/06/47/54/470064754.db2.gz QNBXLANERVWYAW-INIZCTEOSA-N 2 2 347.507 2.201 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000628198168 470074326 /nfs/dbraw/zinc/07/43/26/470074326.db2.gz JQKXYKFUHJZAAW-GOSISDBHSA-N 2 2 328.460 2.370 10 0 EEAELP Cc1nc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000631183853 470088233 /nfs/dbraw/zinc/08/82/33/470088233.db2.gz FFRXTNBWDJIPFR-UHFFFAOYSA-N 2 2 338.459 2.255 10 0 EEAELP Cc1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nc(N)[nH+]1 ZINC000631183853 470088235 /nfs/dbraw/zinc/08/82/35/470088235.db2.gz FFRXTNBWDJIPFR-UHFFFAOYSA-N 2 2 338.459 2.255 10 0 EEAELP Cc1nc(N)nc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000631183853 470088236 /nfs/dbraw/zinc/08/82/36/470088236.db2.gz FFRXTNBWDJIPFR-UHFFFAOYSA-N 2 2 338.459 2.255 10 0 EEAELP Cc1nc(N)nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]1 ZINC000631183853 470088238 /nfs/dbraw/zinc/08/82/38/470088238.db2.gz FFRXTNBWDJIPFR-UHFFFAOYSA-N 2 2 338.459 2.255 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)n1C ZINC000631190957 470089568 /nfs/dbraw/zinc/08/95/68/470089568.db2.gz KTXBEJGOLSBCKI-AWEZNQCLSA-N 2 2 342.365 2.328 10 0 EEAELP CC1(C)C[C@@H]([NH2+]C2CN(c3ccncn3)C2)C[N@@H+]1Cc1ccccc1 ZINC000631257333 470103966 /nfs/dbraw/zinc/10/39/66/470103966.db2.gz RMBLPSSOQCZZFM-QGZVFWFLSA-N 2 2 337.471 2.308 10 0 EEAELP CC1(C)C[C@@H]([NH2+]C2CN(c3ccncn3)C2)C[N@H+]1Cc1ccccc1 ZINC000631257333 470103969 /nfs/dbraw/zinc/10/39/69/470103969.db2.gz RMBLPSSOQCZZFM-QGZVFWFLSA-N 2 2 337.471 2.308 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000625265680 470108506 /nfs/dbraw/zinc/10/85/06/470108506.db2.gz IXWUKWQSORRDQK-LBPRGKRZSA-N 2 2 332.370 2.010 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000625265680 470108508 /nfs/dbraw/zinc/10/85/08/470108508.db2.gz IXWUKWQSORRDQK-LBPRGKRZSA-N 2 2 332.370 2.010 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000631843045 470187115 /nfs/dbraw/zinc/18/71/15/470187115.db2.gz IUVOLFFZQVBPAP-UKRRQHHQSA-N 2 2 343.393 2.104 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)N(Cc2ccccc2)CC(F)(F)F)C[C@H]1C[NH3+] ZINC000631843045 470187116 /nfs/dbraw/zinc/18/71/16/470187116.db2.gz IUVOLFFZQVBPAP-UKRRQHHQSA-N 2 2 343.393 2.104 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885520 470189312 /nfs/dbraw/zinc/18/93/12/470189312.db2.gz BJINEHXAAJYYOC-GXTWGEPZSA-N 2 2 341.908 2.434 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885520 470189313 /nfs/dbraw/zinc/18/93/13/470189313.db2.gz BJINEHXAAJYYOC-GXTWGEPZSA-N 2 2 341.908 2.434 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888000 470189753 /nfs/dbraw/zinc/18/97/53/470189753.db2.gz VRKXXFDTOKTSNJ-MJGOQNOKSA-N 2 2 345.487 2.118 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888000 470189754 /nfs/dbraw/zinc/18/97/54/470189754.db2.gz VRKXXFDTOKTSNJ-MJGOQNOKSA-N 2 2 345.487 2.118 10 0 EEAELP O[C@]1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715983 470285422 /nfs/dbraw/zinc/28/54/22/470285422.db2.gz MVGKVSLFZJKFES-FQEVSTJZSA-N 3 2 336.439 2.061 10 0 EEAELP O[C@]1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715983 470285424 /nfs/dbraw/zinc/28/54/24/470285424.db2.gz MVGKVSLFZJKFES-FQEVSTJZSA-N 3 2 336.439 2.061 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000648807566 470354833 /nfs/dbraw/zinc/35/48/33/470354833.db2.gz GUHGJFLMUGWCGX-HNNXBMFYSA-N 2 2 329.448 2.718 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641864427 470503312 /nfs/dbraw/zinc/50/33/12/470503312.db2.gz FDLAICJCYHOCQC-NNTXTVRGSA-N 2 2 336.867 2.243 10 0 EEAELP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000642010438 470516588 /nfs/dbraw/zinc/51/65/88/470516588.db2.gz NJKMFPHHDJNZIH-BZUAXINKSA-N 2 2 345.491 2.236 10 0 EEAELP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635864128 470787295 /nfs/dbraw/zinc/78/72/95/470787295.db2.gz ADKGGFUSTMPZPH-HUUCEWRRSA-N 2 2 326.400 2.287 10 0 EEAELP C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3C[NH2+]C[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000647551069 470929204 /nfs/dbraw/zinc/92/92/04/470929204.db2.gz XGMYQUIWULSKQG-GGXPGOJBSA-N 2 2 345.487 2.024 10 0 EEAELP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650780846 470965213 /nfs/dbraw/zinc/96/52/13/470965213.db2.gz GBYCHEPPCGPJQL-RDJZCZTQSA-N 2 2 343.475 2.343 10 0 EEAELP O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902073 471011946 /nfs/dbraw/zinc/01/19/46/471011946.db2.gz ZLNJOXVLCDTRFT-UHOSZYNNSA-N 2 2 327.472 2.470 10 0 EEAELP O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902073 471011949 /nfs/dbraw/zinc/01/19/49/471011949.db2.gz ZLNJOXVLCDTRFT-UHOSZYNNSA-N 2 2 327.472 2.470 10 0 EEAELP Cn1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nnc1-c1ccccc1 ZINC000647903832 471012895 /nfs/dbraw/zinc/01/28/95/471012895.db2.gz QRJZWBBYYDEOFW-IAGOWNOFSA-N 2 2 325.460 2.446 10 0 EEAELP Cn1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nnc1-c1ccccc1 ZINC000647903832 471012897 /nfs/dbraw/zinc/01/28/97/471012897.db2.gz QRJZWBBYYDEOFW-IAGOWNOFSA-N 2 2 325.460 2.446 10 0 EEAELP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@@H]2CON(CC)C2=O)CC1 ZINC000647970092 471031657 /nfs/dbraw/zinc/03/16/57/471031657.db2.gz CCAXERYUMFKTOU-QGZVFWFLSA-N 2 2 342.443 2.398 10 0 EEAELP Cc1ccccc1-n1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000647997940 471042995 /nfs/dbraw/zinc/04/29/95/471042995.db2.gz DMHJWEDCJAJBOD-UHFFFAOYSA-N 2 2 328.460 2.069 10 0 EEAELP Cc1ccccc1-n1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cn1 ZINC000647997940 471043000 /nfs/dbraw/zinc/04/30/00/471043000.db2.gz DMHJWEDCJAJBOD-UHFFFAOYSA-N 2 2 328.460 2.069 10 0 EEAELP Cc1ccccc1-n1nccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072092 471077303 /nfs/dbraw/zinc/07/73/03/471077303.db2.gz KWWSYJRVGKURHP-UHFFFAOYSA-N 2 2 340.471 2.477 10 0 EEAELP Cc1ccccc1-n1nccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072092 471077308 /nfs/dbraw/zinc/07/73/08/471077308.db2.gz KWWSYJRVGKURHP-UHFFFAOYSA-N 2 2 340.471 2.477 10 0 EEAELP C[NH+](C)CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000651201931 471088071 /nfs/dbraw/zinc/08/80/71/471088071.db2.gz HWROXJLYOLTSLJ-UHFFFAOYSA-N 2 2 326.444 2.357 10 0 EEAELP C[C@H]([NH3+])CCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000645237043 471188198 /nfs/dbraw/zinc/18/81/98/471188198.db2.gz UVKZTWXQHZYMLK-ZDUSSCGKSA-N 2 2 343.393 2.477 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000658345139 471291174 /nfs/dbraw/zinc/29/11/74/471291174.db2.gz ZLDNBWSBDZPIBT-DFQSSKMNSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCOC1 ZINC000658345139 471291177 /nfs/dbraw/zinc/29/11/77/471291177.db2.gz ZLDNBWSBDZPIBT-DFQSSKMNSA-N 2 2 331.504 2.207 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000652482927 471298479 /nfs/dbraw/zinc/29/84/79/471298479.db2.gz VLKKTHQNXNLQIB-RDJZCZTQSA-N 2 2 327.432 2.148 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000652482927 471298481 /nfs/dbraw/zinc/29/84/81/471298481.db2.gz VLKKTHQNXNLQIB-RDJZCZTQSA-N 2 2 327.432 2.148 10 0 EEAELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658648 471432823 /nfs/dbraw/zinc/43/28/23/471432823.db2.gz FRZUDAQLFBKRQZ-GOEBONIOSA-N 2 2 347.425 2.205 10 0 EEAELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658648 471432828 /nfs/dbraw/zinc/43/28/28/471432828.db2.gz FRZUDAQLFBKRQZ-GOEBONIOSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658648 471432834 /nfs/dbraw/zinc/43/28/34/471432834.db2.gz FRZUDAQLFBKRQZ-GOEBONIOSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658648 471432839 /nfs/dbraw/zinc/43/28/39/471432839.db2.gz FRZUDAQLFBKRQZ-GOEBONIOSA-N 2 2 347.425 2.205 10 0 EEAELP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1nnc2ccccn21 ZINC000655704892 471448526 /nfs/dbraw/zinc/44/85/26/471448526.db2.gz PIFWULNPPPFVPF-FUHWJXTLSA-N 2 2 343.475 2.269 10 0 EEAELP Cc1cccn2cc(CCNC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)[nH+]c12 ZINC000660785160 471485749 /nfs/dbraw/zinc/48/57/49/471485749.db2.gz LCBXEKFTMBENOF-MRXNPFEDSA-N 2 2 343.475 2.357 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000669540614 471541301 /nfs/dbraw/zinc/54/13/01/471541301.db2.gz PRIPRQAVVMXBEV-WMZOPIPTSA-N 2 2 341.459 2.245 10 0 EEAELP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nn1 ZINC000655938309 471550191 /nfs/dbraw/zinc/55/01/91/471550191.db2.gz RNBZRPGDCZGEBZ-JSGCOSHPSA-N 2 2 344.381 2.382 10 0 EEAELP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nn1 ZINC000655938309 471550199 /nfs/dbraw/zinc/55/01/99/471550199.db2.gz RNBZRPGDCZGEBZ-JSGCOSHPSA-N 2 2 344.381 2.382 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC(C4CCOCC4)C3)c2cc1C ZINC000669665710 471587770 /nfs/dbraw/zinc/58/77/70/471587770.db2.gz QCHPADUOVIUCTA-GOSISDBHSA-N 2 2 343.471 2.372 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000659428843 471621598 /nfs/dbraw/zinc/62/15/98/471621598.db2.gz GWCWKEZICKTNQD-HZPDHXFCSA-N 2 2 329.448 2.182 10 0 EEAELP CC(C)[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000667012365 471622930 /nfs/dbraw/zinc/62/29/30/471622930.db2.gz CFVQKQLYOJSASU-MSOLQXFVSA-N 2 2 336.524 2.231 10 0 EEAELP CC(C)[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000667012365 471622935 /nfs/dbraw/zinc/62/29/35/471622935.db2.gz CFVQKQLYOJSASU-MSOLQXFVSA-N 2 2 336.524 2.231 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(F)c1Cl ZINC000667093462 471652217 /nfs/dbraw/zinc/65/22/17/471652217.db2.gz UGAUEOGGWJYHSL-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(F)c1Cl ZINC000667093462 471652219 /nfs/dbraw/zinc/65/22/19/471652219.db2.gz UGAUEOGGWJYHSL-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000664143502 471653930 /nfs/dbraw/zinc/65/39/30/471653930.db2.gz YWMZJHYGZIZHEH-GJZGRUSLSA-N 2 2 333.480 2.113 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000664143502 471653935 /nfs/dbraw/zinc/65/39/35/471653935.db2.gz YWMZJHYGZIZHEH-GJZGRUSLSA-N 2 2 333.480 2.113 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670077928 471669906 /nfs/dbraw/zinc/66/99/06/471669906.db2.gz JYOFYFGQZXBMHW-GJZGRUSLSA-N 2 2 347.507 2.448 10 0 EEAELP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1Cc1ccccc1)c1[nH+]ccn1C ZINC000667246957 471708465 /nfs/dbraw/zinc/70/84/65/471708465.db2.gz VNFLWHWMRUKKEB-RDJZCZTQSA-N 2 2 341.459 2.049 10 0 EEAELP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1Cc1ccccc1)c1[nH+]ccn1C ZINC000667246957 471708468 /nfs/dbraw/zinc/70/84/68/471708468.db2.gz VNFLWHWMRUKKEB-RDJZCZTQSA-N 2 2 341.459 2.049 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(SC)c2)CC1 ZINC000659879749 471776369 /nfs/dbraw/zinc/77/63/69/471776369.db2.gz WSBQEXDIVIDUAE-UHFFFAOYSA-N 2 2 335.517 2.395 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(N)nc2)cc1F ZINC000656789951 471841278 /nfs/dbraw/zinc/84/12/78/471841278.db2.gz DVXIYFHGZKCGOI-HOCLYGCPSA-N 2 2 330.407 2.047 10 0 EEAELP C[C@H](Cc1ccco1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667641738 471854432 /nfs/dbraw/zinc/85/44/32/471854432.db2.gz BRYKPWHOALZTPX-OAHLLOKOSA-N 2 2 333.476 2.133 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000660110956 471865520 /nfs/dbraw/zinc/86/55/20/471865520.db2.gz BXINFBHYWZBMLX-UHFFFAOYSA-N 2 2 340.349 2.483 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000667706898 471874570 /nfs/dbraw/zinc/87/45/70/471874570.db2.gz KTCBDLVFHODFJC-HHXXYDBFSA-N 2 2 332.492 2.371 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000667706898 471874575 /nfs/dbraw/zinc/87/45/75/471874575.db2.gz KTCBDLVFHODFJC-HHXXYDBFSA-N 2 2 332.492 2.371 10 0 EEAELP c1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000667813969 471917798 /nfs/dbraw/zinc/91/77/98/471917798.db2.gz FDARJGBWCQDIJJ-AZUAARDMSA-N 2 2 346.471 2.055 10 0 EEAELP Cn1nc(CCC[N@H+](C)C[C@@H]2C[NH2+]CCO2)cc1-c1ccc(F)cc1 ZINC000662253897 472045416 /nfs/dbraw/zinc/04/54/16/472045416.db2.gz XLSWFRKANJWZKK-SFHVURJKSA-N 2 2 346.450 2.079 10 0 EEAELP Cn1nc(CCC[N@@H+](C)C[C@@H]2C[NH2+]CCO2)cc1-c1ccc(F)cc1 ZINC000662253897 472045422 /nfs/dbraw/zinc/04/54/22/472045422.db2.gz XLSWFRKANJWZKK-SFHVURJKSA-N 2 2 346.450 2.079 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662664332 472194593 /nfs/dbraw/zinc/19/45/93/472194593.db2.gz RLWWBJYVRGXUBS-UHFFFAOYSA-N 2 2 327.472 2.314 10 0 EEAELP CN1CC[NH+](Cc2cccc(NC(=O)C3([NH2+]C4CC4)CCC3)c2)CC1 ZINC000662759474 472239241 /nfs/dbraw/zinc/23/92/41/472239241.db2.gz XTVXWVHSDMKPBF-UHFFFAOYSA-N 2 2 342.487 2.047 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)C1 ZINC000668738811 472248594 /nfs/dbraw/zinc/24/85/94/472248594.db2.gz GRFZJJIBOWYXQA-MRXNPFEDSA-N 2 2 344.434 2.247 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)C1 ZINC000668738811 472248602 /nfs/dbraw/zinc/24/86/02/472248602.db2.gz GRFZJJIBOWYXQA-MRXNPFEDSA-N 2 2 344.434 2.247 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662825222 472268139 /nfs/dbraw/zinc/26/81/39/472268139.db2.gz GDLPPNPRZGHZGU-AYOQOUSVSA-N 2 2 346.519 2.447 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662825222 472268144 /nfs/dbraw/zinc/26/81/44/472268144.db2.gz GDLPPNPRZGHZGU-AYOQOUSVSA-N 2 2 346.519 2.447 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000640923951 485485097 /nfs/dbraw/zinc/48/50/97/485485097.db2.gz VZEOFWTVWXGNTC-INMHGKMJSA-N 2 2 345.491 2.106 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000674313962 485691475 /nfs/dbraw/zinc/69/14/75/485691475.db2.gz VRDZBAOKOBWTKY-GOSISDBHSA-N 3 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000674313962 485691479 /nfs/dbraw/zinc/69/14/79/485691479.db2.gz VRDZBAOKOBWTKY-GOSISDBHSA-N 3 2 328.460 2.082 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629542170 485730796 /nfs/dbraw/zinc/73/07/96/485730796.db2.gz ZPPZRMCBRWEMLH-DVOMOZLQSA-N 2 2 325.478 2.239 10 0 EEAELP COC[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000674466772 485735303 /nfs/dbraw/zinc/73/53/03/485735303.db2.gz NQQXFOSYTHVQSF-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP COC[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000674466772 485735310 /nfs/dbraw/zinc/73/53/10/485735310.db2.gz NQQXFOSYTHVQSF-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000677078821 486370993 /nfs/dbraw/zinc/37/09/93/486370993.db2.gz ZVSOBCUFDIEPIR-CQSZACIVSA-N 2 2 349.398 2.063 10 0 EEAELP O=S1(=O)CC[C@@H](CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000677681524 486475870 /nfs/dbraw/zinc/47/58/70/486475870.db2.gz JEAVFVYSWJOPPI-MSOLQXFVSA-N 2 2 342.549 2.399 10 0 EEAELP O=S1(=O)CC[C@@H](CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000677681524 486475874 /nfs/dbraw/zinc/47/58/74/486475874.db2.gz JEAVFVYSWJOPPI-MSOLQXFVSA-N 2 2 342.549 2.399 10 0 EEAELP Cc1ccc(C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC000178113615 533874250 /nfs/dbraw/zinc/87/42/50/533874250.db2.gz INELDVNISHELFX-SFHVURJKSA-N 2 2 329.444 2.439 10 0 EEAELP Cc1ccc(C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC000178113615 533874260 /nfs/dbraw/zinc/87/42/60/533874260.db2.gz INELDVNISHELFX-SFHVURJKSA-N 2 2 329.444 2.439 10 0 EEAELP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc(Cl)c1O ZINC000459571165 535675603 /nfs/dbraw/zinc/67/56/03/535675603.db2.gz OHFFPKIYPZDEGM-AWEZNQCLSA-N 2 2 342.867 2.381 10 0 EEAELP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc(Cl)c1O ZINC000459571165 535675608 /nfs/dbraw/zinc/67/56/08/535675608.db2.gz OHFFPKIYPZDEGM-AWEZNQCLSA-N 2 2 342.867 2.381 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]2C[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000761085574 577676204 /nfs/dbraw/zinc/67/62/04/577676204.db2.gz NBOJRPRRTFVCRU-WBVHZDCISA-N 2 2 331.485 2.268 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]2C[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000761085574 577676205 /nfs/dbraw/zinc/67/62/05/577676205.db2.gz NBOJRPRRTFVCRU-WBVHZDCISA-N 2 2 331.485 2.268 10 0 EEAELP COc1cc(C)cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c1OC ZINC000895352795 684534076 /nfs/dbraw/zinc/53/40/76/684534076.db2.gz BPUGXXSOCRWLGB-UHFFFAOYSA-N 2 2 330.432 2.068 10 0 EEAELP CCCCCCN(O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000904171061 694318203 /nfs/dbraw/zinc/31/82/03/694318203.db2.gz QNRZPLAJLOEYPS-OAHLLOKOSA-N 2 2 326.485 2.136 10 0 EEAELP CCCCCCN(O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000904171061 694318207 /nfs/dbraw/zinc/31/82/07/694318207.db2.gz QNRZPLAJLOEYPS-OAHLLOKOSA-N 2 2 326.485 2.136 10 0 EEAELP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OCCO ZINC000924730886 693296566 /nfs/dbraw/zinc/29/65/66/693296566.db2.gz UPVBIPALMRFBAE-IAGOWNOFSA-N 2 2 334.460 2.173 10 0 EEAELP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OCCO ZINC000924730886 693296569 /nfs/dbraw/zinc/29/65/69/693296569.db2.gz UPVBIPALMRFBAE-IAGOWNOFSA-N 2 2 334.460 2.173 10 0 EEAELP C[C@@H]1CC=CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000898885099 693507449 /nfs/dbraw/zinc/50/74/49/693507449.db2.gz BCAVKAZHKPIEAG-KBAYOESNSA-N 2 2 334.508 2.151 10 0 EEAELP C[C@@H]1CC=CC[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000898885099 693507452 /nfs/dbraw/zinc/50/74/52/693507452.db2.gz BCAVKAZHKPIEAG-KBAYOESNSA-N 2 2 334.508 2.151 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266327858 1176306790 /nfs/dbraw/zinc/30/67/90/1176306790.db2.gz NFMGRRQLLWFEBX-UIZHIOIMSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266327858 1176306797 /nfs/dbraw/zinc/30/67/97/1176306797.db2.gz NFMGRRQLLWFEBX-UIZHIOIMSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001670544695 1176876335 /nfs/dbraw/zinc/87/63/35/1176876335.db2.gz PCAXVKOJVCXVOL-LBPRGKRZSA-N 2 2 331.247 2.064 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCc2ccccc21 ZINC001480885503 1176881183 /nfs/dbraw/zinc/88/11/83/1176881183.db2.gz XNKCSGPPPFGXJU-APWZRJJASA-N 2 2 338.455 2.181 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H]1CCc2ccccc21 ZINC001480885503 1176881189 /nfs/dbraw/zinc/88/11/89/1176881189.db2.gz XNKCSGPPPFGXJU-APWZRJJASA-N 2 2 338.455 2.181 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H]([NH2+]CCCOC(C)C)C3)ccn12 ZINC001266593848 1176906021 /nfs/dbraw/zinc/90/60/21/1176906021.db2.gz YZBUFXJQAXUVIS-QAQDUYKDSA-N 2 2 344.459 2.308 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC001480894071 1177638382 /nfs/dbraw/zinc/63/83/82/1177638382.db2.gz LDLLTVBPKVQGFA-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC001480894071 1177638387 /nfs/dbraw/zinc/63/83/87/1177638387.db2.gz LDLLTVBPKVQGFA-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH2+]Cc1ccccn1 ZINC001691306584 1177875034 /nfs/dbraw/zinc/87/50/34/1177875034.db2.gz VPVIJQCMFVVJJY-WBVHZDCISA-N 2 2 341.459 2.154 10 0 EEAELP CO[C@H](C[NH2+]CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C1CCC1 ZINC001691319472 1177903031 /nfs/dbraw/zinc/90/30/31/1177903031.db2.gz KFNJXWFGJIOVFC-QGZVFWFLSA-N 2 2 344.459 2.119 10 0 EEAELP CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267047906 1178146816 /nfs/dbraw/zinc/14/68/16/1178146816.db2.gz PZVYQWOFQKMGHT-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP Cc1cncc(C[N@@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c1 ZINC001267510282 1179219930 /nfs/dbraw/zinc/21/99/30/1179219930.db2.gz JGSNCCNPCHKAAF-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP Cc1cncc(C[N@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c1 ZINC001267510282 1179219937 /nfs/dbraw/zinc/21/99/37/1179219937.db2.gz JGSNCCNPCHKAAF-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073640 1179684439 /nfs/dbraw/zinc/68/44/39/1179684439.db2.gz PYPLVDKFOBGXPN-QGZVFWFLSA-N 2 2 326.444 2.281 10 0 EEAELP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073640 1179684441 /nfs/dbraw/zinc/68/44/41/1179684441.db2.gz PYPLVDKFOBGXPN-QGZVFWFLSA-N 2 2 326.444 2.281 10 0 EEAELP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125133 1179827481 /nfs/dbraw/zinc/82/74/81/1179827481.db2.gz AAWUAANPYQOOME-HUUCEWRRSA-N 2 2 330.407 2.222 10 0 EEAELP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125133 1179827491 /nfs/dbraw/zinc/82/74/91/1179827491.db2.gz AAWUAANPYQOOME-HUUCEWRRSA-N 2 2 330.407 2.222 10 0 EEAELP CCOC(=O)c1c(C)onc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001771707899 1180892005 /nfs/dbraw/zinc/89/20/05/1180892005.db2.gz FXDWPJKRMOECRN-UHFFFAOYSA-N 2 2 335.448 2.468 10 0 EEAELP CCOC(=O)c1c(C)onc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC001771707899 1180892011 /nfs/dbraw/zinc/89/20/11/1180892011.db2.gz FXDWPJKRMOECRN-UHFFFAOYSA-N 2 2 335.448 2.468 10 0 EEAELP CCC[N@@H+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001481432253 1181326024 /nfs/dbraw/zinc/32/60/24/1181326024.db2.gz NRWLSBQFNKFZBN-YOEHRIQHSA-N 2 2 333.480 2.028 10 0 EEAELP CCC[N@H+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001481432253 1181326031 /nfs/dbraw/zinc/32/60/31/1181326031.db2.gz NRWLSBQFNKFZBN-YOEHRIQHSA-N 2 2 333.480 2.028 10 0 EEAELP CCC[NH+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001481432253 1181326036 /nfs/dbraw/zinc/32/60/36/1181326036.db2.gz NRWLSBQFNKFZBN-YOEHRIQHSA-N 2 2 333.480 2.028 10 0 EEAELP CCC[NH+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001481432253 1181326040 /nfs/dbraw/zinc/32/60/40/1181326040.db2.gz NRWLSBQFNKFZBN-YOEHRIQHSA-N 2 2 333.480 2.028 10 0 EEAELP Cc1oncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001268156642 1181857180 /nfs/dbraw/zinc/85/71/80/1181857180.db2.gz LLTPCCXTUYIERS-KRWDZBQOSA-N 2 2 345.447 2.131 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268379556 1182404327 /nfs/dbraw/zinc/40/43/27/1182404327.db2.gz SNFLSKKUYGPNBB-GDBMZVCRSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CCc2[nH+]ccn2C)c(C)s1 ZINC001268385830 1182424474 /nfs/dbraw/zinc/42/44/74/1182424474.db2.gz IWEOWDCMTOVQGA-GFCCVEGCSA-N 2 2 349.504 2.111 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCc2ccccc21 ZINC001481870365 1182845275 /nfs/dbraw/zinc/84/52/75/1182845275.db2.gz MGWAETFYYLGFPA-QAPCUYQASA-N 2 2 326.444 2.135 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001481903019 1182915647 /nfs/dbraw/zinc/91/56/47/1182915647.db2.gz ZKIZUZJJTHUVOU-QGZVFWFLSA-N 2 2 348.491 2.251 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001268776307 1183694075 /nfs/dbraw/zinc/69/40/75/1183694075.db2.gz PAVDNQBQQQLWRP-ZWKOTPCHSA-N 2 2 340.471 2.460 10 0 EEAELP CN(CCC[NH2+]Cc1ccns1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268802260 1183720101 /nfs/dbraw/zinc/72/01/01/1183720101.db2.gz OYPVGENTVGMECJ-UHFFFAOYSA-N 2 2 329.429 2.271 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCCCF)c[nH+]1 ZINC001268951954 1183845127 /nfs/dbraw/zinc/84/51/27/1183845127.db2.gz KVLNBQYWKUZNMC-HOTGVXAUSA-N 2 2 336.455 2.352 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCCCCF)c[nH+]1 ZINC001268951954 1183845133 /nfs/dbraw/zinc/84/51/33/1183845133.db2.gz KVLNBQYWKUZNMC-HOTGVXAUSA-N 2 2 336.455 2.352 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001269071573 1183939414 /nfs/dbraw/zinc/93/94/14/1183939414.db2.gz MGHXMJJHKYZHEV-QGZVFWFLSA-N 2 2 330.476 2.213 10 0 EEAELP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001269345682 1184195782 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2.452 10 0 EEAELP Cc1nocc1C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001482413420 1185645415 /nfs/dbraw/zinc/64/54/15/1185645415.db2.gz USGGJQVWVLXOHE-QGZVFWFLSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001271112582 1185899549 /nfs/dbraw/zinc/89/95/49/1185899549.db2.gz IWIRZFXWWUSILV-FVQBIDKESA-N 2 2 346.500 2.264 10 0 EEAELP COCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001482471843 1186001248 /nfs/dbraw/zinc/00/12/48/1186001248.db2.gz LDTYAOKGYHJFKA-DOTOQJQBSA-N 2 2 333.476 2.484 10 0 EEAELP CC(C)C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001271278488 1186117984 /nfs/dbraw/zinc/11/79/84/1186117984.db2.gz NJHMFBUFEGMHNF-IRXDYDNUSA-N 2 2 332.492 2.366 10 0 EEAELP COCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001271491246 1186267220 /nfs/dbraw/zinc/26/72/20/1186267220.db2.gz OXDOJTIXZJDXSC-DOTOQJQBSA-N 2 2 344.459 2.119 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(C2CC2)cc1)C(=O)Cc1c[nH+]cn1C ZINC001482642909 1187474292 /nfs/dbraw/zinc/47/42/92/1187474292.db2.gz XWBGWFZSWGSQAT-UHFFFAOYSA-N 2 2 340.471 2.430 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001482687421 1187662769 /nfs/dbraw/zinc/66/27/69/1187662769.db2.gz XXBLLWBTTHJWQV-HZPDHXFCSA-N 2 2 332.473 2.409 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482886101 1187802107 /nfs/dbraw/zinc/80/21/07/1187802107.db2.gz QSSINZXVWRLMEN-QWHCGFSZSA-N 2 2 328.407 2.262 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)c2cccc(C[NH+](C)C)c2)no1 ZINC001483096800 1188471688 /nfs/dbraw/zinc/47/16/88/1188471688.db2.gz FFGIKPHAAXMVKA-PLNGDYQASA-N 2 2 342.443 2.120 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC001483100124 1188477593 /nfs/dbraw/zinc/47/75/93/1188477593.db2.gz AEJRSZQMJOJKNW-YPQKKHBXSA-N 2 2 338.455 2.395 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2csc(C)n2)c[nH+]1 ZINC001272856700 1193578157 /nfs/dbraw/zinc/57/81/57/1193578157.db2.gz YDWDUYHZYDTMSS-GFCCVEGCSA-N 2 2 349.504 2.376 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483145376 1188768638 /nfs/dbraw/zinc/76/86/38/1188768638.db2.gz XLWFDJZJNRFJIP-TZMCWYRMSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001409473374 1189780773 /nfs/dbraw/zinc/78/07/73/1189780773.db2.gz PZTDAQQKAKRLQJ-UONOGXRCSA-N 2 2 349.866 2.395 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001485947980 1193644969 /nfs/dbraw/zinc/64/49/69/1193644969.db2.gz CYDHIJGHYOEONT-LLVKDONJSA-N 2 2 334.386 2.430 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1F ZINC001409675942 1190176012 /nfs/dbraw/zinc/17/60/12/1190176012.db2.gz ZVVLKKBUCAUJJY-HUUCEWRRSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1F ZINC001409675942 1190176017 /nfs/dbraw/zinc/17/60/17/1190176017.db2.gz ZVVLKKBUCAUJJY-HUUCEWRRSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1F ZINC001409675942 1190176019 /nfs/dbraw/zinc/17/60/19/1190176019.db2.gz ZVVLKKBUCAUJJY-HUUCEWRRSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1F ZINC001409675942 1190176023 /nfs/dbraw/zinc/17/60/23/1190176023.db2.gz ZVVLKKBUCAUJJY-HUUCEWRRSA-N 2 2 346.450 2.407 10 0 EEAELP COC[C@H](C)[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001409772130 1190267126 /nfs/dbraw/zinc/26/71/26/1190267126.db2.gz CKEYWOBYMJTSKA-HOTGVXAUSA-N 2 2 336.480 2.278 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483242532 1190270295 /nfs/dbraw/zinc/27/02/95/1190270295.db2.gz MLKUQJCXFHDKEO-YJBOKZPZSA-N 2 2 340.471 2.302 10 0 EEAELP C[C@@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483242525 1190270345 /nfs/dbraw/zinc/27/03/45/1190270345.db2.gz MEJPKLLUBJCERR-STQMWFEESA-N 2 2 346.397 2.272 10 0 EEAELP CCc1nocc1C[NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483473466 1190495022 /nfs/dbraw/zinc/49/50/22/1190495022.db2.gz GFCOGRAWAPRUBO-UHFFFAOYSA-N 2 2 341.415 2.365 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)sn1 ZINC001483504648 1190518350 /nfs/dbraw/zinc/51/83/50/1190518350.db2.gz YTKPAECIKDUQSC-UHFFFAOYSA-N 2 2 335.477 2.091 10 0 EEAELP CCCC[NH2+]C[C@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001483594958 1190578899 /nfs/dbraw/zinc/57/88/99/1190578899.db2.gz MGWZNNHZBMGJIX-KRWDZBQOSA-N 2 2 328.460 2.470 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]Cc2cscn2)CCCCC1 ZINC001409801463 1190633237 /nfs/dbraw/zinc/63/32/37/1190633237.db2.gz LSNDCUNMPANTNB-UHFFFAOYSA-N 2 2 347.488 2.028 10 0 EEAELP CCCOc1cccc(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001483701625 1190776094 /nfs/dbraw/zinc/77/60/94/1190776094.db2.gz IAZAECGTPZPVQV-SFHVURJKSA-N 2 2 345.487 2.262 10 0 EEAELP CCCOc1cccc(C[N@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001483701625 1190776097 /nfs/dbraw/zinc/77/60/97/1190776097.db2.gz IAZAECGTPZPVQV-SFHVURJKSA-N 2 2 345.487 2.262 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592679 1190909047 /nfs/dbraw/zinc/90/90/47/1190909047.db2.gz ZJHWYNHZMZLWJR-UONOGXRCSA-N 2 2 347.488 2.073 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592679 1190909051 /nfs/dbraw/zinc/90/90/51/1190909051.db2.gz ZJHWYNHZMZLWJR-UONOGXRCSA-N 2 2 347.488 2.073 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCc2c(F)cccc2F)CC1 ZINC001483779685 1191024436 /nfs/dbraw/zinc/02/44/36/1191024436.db2.gz UCULZZLSOXQNKF-UHFFFAOYSA-N 2 2 348.397 2.102 10 0 EEAELP CCOCC[NH+]1CCC2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001483836832 1191087553 /nfs/dbraw/zinc/08/75/53/1191087553.db2.gz MTHIANBUELPUFM-KRWDZBQOSA-N 2 2 348.491 2.185 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H](C[NH2+]CCC(F)(F)F)C1CCCC1 ZINC001484004837 1191149221 /nfs/dbraw/zinc/14/92/21/1191149221.db2.gz DPWMABUGQSMKPH-AWEZNQCLSA-N 2 2 346.397 2.490 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001484066617 1191186896 /nfs/dbraw/zinc/18/68/96/1191186896.db2.gz AUCBGTLDBSDPPT-LJQANCHMSA-N 2 2 349.523 2.277 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001484066617 1191186897 /nfs/dbraw/zinc/18/68/97/1191186897.db2.gz AUCBGTLDBSDPPT-LJQANCHMSA-N 2 2 349.523 2.277 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2cccc(F)c2F)C1 ZINC001484071555 1191192058 /nfs/dbraw/zinc/19/20/58/1191192058.db2.gz PUQAPTHCTOUSMZ-GOSISDBHSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2cccc(F)c2F)C1 ZINC001484071555 1191192061 /nfs/dbraw/zinc/19/20/61/1191192061.db2.gz PUQAPTHCTOUSMZ-GOSISDBHSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001484071555 1191192064 /nfs/dbraw/zinc/19/20/64/1191192064.db2.gz PUQAPTHCTOUSMZ-GOSISDBHSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001484071555 1191192068 /nfs/dbraw/zinc/19/20/68/1191192068.db2.gz PUQAPTHCTOUSMZ-GOSISDBHSA-N 2 2 339.430 2.386 10 0 EEAELP CCOCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001484370876 1191319374 /nfs/dbraw/zinc/31/93/74/1191319374.db2.gz FFQXNWGIVHUZRT-ZBFHGGJFSA-N 2 2 344.459 2.287 10 0 EEAELP CC[C@H](C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)OC ZINC001484530013 1191400226 /nfs/dbraw/zinc/40/02/26/1191400226.db2.gz OXOKHBBUCYBRSC-HZPDHXFCSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001484979031 1191605859 /nfs/dbraw/zinc/60/58/59/1191605859.db2.gz XAVVVZXJKBPAAW-SJORKVTESA-N 2 2 336.480 2.057 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001484979031 1191605861 /nfs/dbraw/zinc/60/58/61/1191605861.db2.gz XAVVVZXJKBPAAW-SJORKVTESA-N 2 2 336.480 2.057 10 0 EEAELP Cc1cnc(C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)s1 ZINC001485312987 1191729504 /nfs/dbraw/zinc/72/95/04/1191729504.db2.gz KKWFAIFXPOHHJU-HIFRSBDPSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)s1 ZINC001485312987 1191729506 /nfs/dbraw/zinc/72/95/06/1191729506.db2.gz KKWFAIFXPOHHJU-HIFRSBDPSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)s1 ZINC001485312987 1191729508 /nfs/dbraw/zinc/72/95/08/1191729508.db2.gz KKWFAIFXPOHHJU-HIFRSBDPSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)s1 ZINC001485312987 1191729510 /nfs/dbraw/zinc/72/95/10/1191729510.db2.gz KKWFAIFXPOHHJU-HIFRSBDPSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cc(C[NH2+][C@H](CCN(C)C(=O)Cc2[nH]cc[nH+]2)C(C)C)sn1 ZINC001485439744 1191785538 /nfs/dbraw/zinc/78/55/38/1191785538.db2.gz KIRGCOWCAKESAR-OAHLLOKOSA-N 2 2 349.504 2.380 10 0 EEAELP Cc1cc(C[N@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)no1 ZINC001486520413 1194042464 /nfs/dbraw/zinc/04/24/64/1194042464.db2.gz CBVQACRDDOKCMB-HUUCEWRRSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)no1 ZINC001486520413 1194042465 /nfs/dbraw/zinc/04/24/65/1194042465.db2.gz CBVQACRDDOKCMB-HUUCEWRRSA-N 2 2 346.475 2.104 10 0 EEAELP CC(C)[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]C/C=C/Cl ZINC001410252140 1197635571 /nfs/dbraw/zinc/63/55/71/1197635571.db2.gz XIFNECBKGKNHOY-CQEQRNRBSA-N 2 2 338.883 2.319 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)CCCn2cc[nH+]c2)s1 ZINC001410535106 1198093545 /nfs/dbraw/zinc/09/35/45/1198093545.db2.gz NANDHHWFBZHFCI-ZDUSSCGKSA-N 2 2 335.477 2.065 10 0 EEAELP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000872235190 1198103355 /nfs/dbraw/zinc/10/33/55/1198103355.db2.gz DGTKPXNZHCVWIS-IAGOWNOFSA-N 2 2 326.481 2.077 10 0 EEAELP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000872235190 1198103357 /nfs/dbraw/zinc/10/33/57/1198103357.db2.gz DGTKPXNZHCVWIS-IAGOWNOFSA-N 2 2 326.481 2.077 10 0 EEAELP CC[C@@H](F)C[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2)c(F)c1 ZINC001411256757 1198984237 /nfs/dbraw/zinc/98/42/37/1198984237.db2.gz FVGQGSPWIRAXCJ-OAHLLOKOSA-N 2 2 336.386 2.176 10 0 EEAELP C/C(=C/c1cccnc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870664847 1200800062 /nfs/dbraw/zinc/80/00/62/1200800062.db2.gz ASXXUUYIMGMZSC-QINSGFPZSA-N 2 2 337.427 2.270 10 0 EEAELP Cn1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C(F)F)n1 ZINC000812756655 1200901726 /nfs/dbraw/zinc/90/17/26/1200901726.db2.gz RBIGIWYWMHAXLU-AWEZNQCLSA-N 2 2 328.407 2.091 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000866411302 1201510815 /nfs/dbraw/zinc/51/08/15/1201510815.db2.gz IVXAYBVBXJTJQK-WBVHZDCISA-N 2 2 333.476 2.147 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000866411302 1201510817 /nfs/dbraw/zinc/51/08/17/1201510817.db2.gz IVXAYBVBXJTJQK-WBVHZDCISA-N 2 2 333.476 2.147 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000866703315 1201584119 /nfs/dbraw/zinc/58/41/19/1201584119.db2.gz KYJUORXAHPDLND-LJQANCHMSA-N 2 2 349.475 2.339 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000866703315 1201584122 /nfs/dbraw/zinc/58/41/22/1201584122.db2.gz KYJUORXAHPDLND-LJQANCHMSA-N 2 2 349.475 2.339 10 0 EEAELP CC(C)[C@H]1CN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)CC[N@@H+]1C ZINC000869107410 1201941421 /nfs/dbraw/zinc/94/14/21/1201941421.db2.gz ATYVARGXIINVHE-ZWKOTPCHSA-N 2 2 330.476 2.155 10 0 EEAELP CC(C)[C@H]1CN(C(=O)NC[C@H]2c3ccccc3C[NH+]2C)CC[N@H+]1C ZINC000869107410 1201941423 /nfs/dbraw/zinc/94/14/23/1201941423.db2.gz ATYVARGXIINVHE-ZWKOTPCHSA-N 2 2 330.476 2.155 10 0 EEAELP CC(C)[C@H]1CN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)CC[NH+]1C ZINC000869107410 1201941426 /nfs/dbraw/zinc/94/14/26/1201941426.db2.gz ATYVARGXIINVHE-ZWKOTPCHSA-N 2 2 330.476 2.155 10 0 EEAELP CC(C)[C@H]1CN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)CC[NH+]1C ZINC000869107410 1201941427 /nfs/dbraw/zinc/94/14/27/1201941427.db2.gz ATYVARGXIINVHE-ZWKOTPCHSA-N 2 2 330.476 2.155 10 0 EEAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000131284705 1202035437 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2.316 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC001412525596 1205748760 /nfs/dbraw/zinc/74/87/60/1205748760.db2.gz JWWBOHDBLDJUGG-IBGZPJMESA-N 2 2 347.503 2.316 10 0 EEAELP C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000925827266 1206158000 /nfs/dbraw/zinc/15/80/00/1206158000.db2.gz RAQCDSINCYECPL-APHBMKBZSA-N 2 2 327.394 2.247 10 0 EEAELP CN(C(=O)NCCC1CC=CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000926720419 1206239742 /nfs/dbraw/zinc/23/97/42/1206239742.db2.gz AXZBQQMORAPUAE-SFHVURJKSA-N 2 2 334.508 2.153 10 0 EEAELP CN(C(=O)NCCC1CC=CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000926720419 1206239743 /nfs/dbraw/zinc/23/97/43/1206239743.db2.gz AXZBQQMORAPUAE-SFHVURJKSA-N 2 2 334.508 2.153 10 0 EEAELP C[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(=O)c1ccc(O)cc1 ZINC000931076576 1206604972 /nfs/dbraw/zinc/60/49/72/1206604972.db2.gz TVUPAEDFCAPHLH-QAPCUYQASA-N 2 2 334.460 2.254 10 0 EEAELP 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ZINC001316753624 1331873714 /nfs/dbraw/zinc/87/37/14/1331873714.db2.gz CEIWUPVZHAHDAG-YYIAUSFCSA-N 2 2 330.476 2.484 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001316753624 1331873717 /nfs/dbraw/zinc/87/37/17/1331873717.db2.gz CEIWUPVZHAHDAG-YYIAUSFCSA-N 2 2 330.476 2.484 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001316753624 1331873722 /nfs/dbraw/zinc/87/37/22/1331873722.db2.gz CEIWUPVZHAHDAG-YYIAUSFCSA-N 2 2 330.476 2.484 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001316753624 1331873727 /nfs/dbraw/zinc/87/37/27/1331873727.db2.gz CEIWUPVZHAHDAG-YYIAUSFCSA-N 2 2 330.476 2.484 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@@H](C[NH2+]C/C=C\Cl)C3)[nH+]c12 ZINC001317334629 1332183804 /nfs/dbraw/zinc/18/38/04/1332183804.db2.gz GJGHTPNTEFHQMF-BYPUDFOVSA-N 2 2 346.862 2.376 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001317340197 1332185806 /nfs/dbraw/zinc/18/58/06/1332185806.db2.gz KFMZGLKUJBQSRG-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccnc(Cl)c1 ZINC001317511429 1332274900 /nfs/dbraw/zinc/27/49/00/1332274900.db2.gz ANVYGFPKZQHZOG-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccnc(Cl)c1 ZINC001317511429 1332274903 /nfs/dbraw/zinc/27/49/03/1332274903.db2.gz ANVYGFPKZQHZOG-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001317511429 1332274906 /nfs/dbraw/zinc/27/49/06/1332274906.db2.gz ANVYGFPKZQHZOG-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001317511429 1332274910 /nfs/dbraw/zinc/27/49/10/1332274910.db2.gz ANVYGFPKZQHZOG-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCCCC[NH+]1CC2(C1)CCN(C(=O)CCc1[nH+]ccn1C)CC2 ZINC001319402211 1332695391 /nfs/dbraw/zinc/69/53/91/1332695391.db2.gz HAXKAKLEWYAQFU-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319537175 1332717399 /nfs/dbraw/zinc/71/73/99/1332717399.db2.gz DCANBKMMYBCALQ-CQSZACIVSA-N 2 2 332.423 2.161 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC001319670295 1332738111 /nfs/dbraw/zinc/73/81/11/1332738111.db2.gz ZGKCNJNGNDQNNP-ROUUACIJSA-N 2 2 348.491 2.107 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001320490237 1332896240 /nfs/dbraw/zinc/89/62/40/1332896240.db2.gz ITHWIYWGSFHAHL-OAHLLOKOSA-N 2 2 337.427 2.336 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]Cc1cccc(C(F)F)c1 ZINC001321308168 1333070560 /nfs/dbraw/zinc/07/05/60/1333070560.db2.gz STQKHIZORZFHSN-UPHRSURJSA-N 2 2 334.370 2.352 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001325528033 1333904417 /nfs/dbraw/zinc/90/44/17/1333904417.db2.gz XJIMDKCMCCGSKC-FUHWJXTLSA-N 2 2 340.471 2.269 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCc1ccccc1 ZINC001325528033 1333904418 /nfs/dbraw/zinc/90/44/18/1333904418.db2.gz XJIMDKCMCCGSKC-FUHWJXTLSA-N 2 2 340.471 2.269 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCCF ZINC001325899940 1333989448 /nfs/dbraw/zinc/98/94/48/1333989448.db2.gz ROVSKFYVMCKQHR-IAGOWNOFSA-N 2 2 336.455 2.478 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001325899940 1333989450 /nfs/dbraw/zinc/98/94/50/1333989450.db2.gz ROVSKFYVMCKQHR-IAGOWNOFSA-N 2 2 336.455 2.478 10 0 EEAELP CCOCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001327532398 1334310936 /nfs/dbraw/zinc/31/09/36/1334310936.db2.gz XIMSMZFKFGMSSU-IEBWSBKVSA-N 2 2 348.491 2.185 10 0 EEAELP CCOCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001327532398 1334310937 /nfs/dbraw/zinc/31/09/37/1334310937.db2.gz XIMSMZFKFGMSSU-IEBWSBKVSA-N 2 2 348.491 2.185 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001327830070 1334352443 /nfs/dbraw/zinc/35/24/43/1334352443.db2.gz HCGWBNPOENGWBY-DJIMGWMZSA-N 2 2 331.460 2.356 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001332198777 1335761054 /nfs/dbraw/zinc/76/10/54/1335761054.db2.gz LLLWOYKAYJZYNG-ZFWWWQNUSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001332198777 1335761062 /nfs/dbraw/zinc/76/10/62/1335761062.db2.gz LLLWOYKAYJZYNG-ZFWWWQNUSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001480516676 1338275733 /nfs/dbraw/zinc/27/57/33/1338275733.db2.gz WLTGKKPMQFLPMQ-CQSZACIVSA-N 2 2 336.480 2.267 10 0 EEAELP C[NH+](C)C1CC([NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000848558708 1338721631 /nfs/dbraw/zinc/72/16/31/1338721631.db2.gz TYJVLQQVGPMAHF-UHFFFAOYSA-N 2 2 340.471 2.254 10 0 EEAELP COC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)o1 ZINC000848894401 1338796198 /nfs/dbraw/zinc/79/61/98/1338796198.db2.gz FAIBDGHDPDZVTC-MRXNPFEDSA-N 2 2 336.432 2.108 10 0 EEAELP CCOP(=O)(OCC)[C@H](O)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001620679251 1352361866 /nfs/dbraw/zinc/36/18/66/1352361866.db2.gz XAKUUTSIOSUSJU-HNNXBMFYSA-N 2 2 345.380 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CCC(F)(F)F)CC(C)C ZINC001667118201 1355651521 /nfs/dbraw/zinc/65/15/21/1355651521.db2.gz MPXWVLMUUXPLJS-LBPRGKRZSA-N 2 2 334.386 2.334 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C2C[NH+](CCC(F)(F)F)C2)c[nH+]1 ZINC001506631057 1342294349 /nfs/dbraw/zinc/29/43/49/1342294349.db2.gz OLJDAAKNNUZOCJ-LBPRGKRZSA-N 2 2 346.397 2.316 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001565852379 1342569854 /nfs/dbraw/zinc/56/98/54/1342569854.db2.gz JBRATVILEBXQJC-FZNQNYSPSA-N 2 2 337.427 2.118 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001567103807 1342694762 /nfs/dbraw/zinc/69/47/62/1342694762.db2.gz BBNICTXZLIPEDO-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP C[C@H](CC(=O)NCC[N@H+](C)Cc1ccnc(Cl)c1)n1cc[nH+]c1 ZINC001567307308 1342736785 /nfs/dbraw/zinc/73/67/85/1342736785.db2.gz VHEHBTRORGSTKV-CYBMUJFWSA-N 2 2 335.839 2.131 10 0 EEAELP C[C@H](CC(=O)NCC[N@@H+](C)Cc1ccnc(Cl)c1)n1cc[nH+]c1 ZINC001567307308 1342736789 /nfs/dbraw/zinc/73/67/89/1342736789.db2.gz VHEHBTRORGSTKV-CYBMUJFWSA-N 2 2 335.839 2.131 10 0 EEAELP CC(C)COCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001571483637 1343217537 /nfs/dbraw/zinc/21/75/37/1343217537.db2.gz UGNCRIRFVWAYDO-JKSUJKDBSA-N 2 2 344.459 2.200 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001571544297 1343233933 /nfs/dbraw/zinc/23/39/33/1343233933.db2.gz LYFYVPZKDCENGI-IAGOWNOFSA-N 2 2 326.444 2.069 10 0 EEAELP CCOCC[N@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001571687889 1343272990 /nfs/dbraw/zinc/27/29/90/1343272990.db2.gz UBJIKTLSIUFKDW-UHFFFAOYSA-N 2 2 342.443 2.041 10 0 EEAELP CCOCC[N@@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001571687889 1343272992 /nfs/dbraw/zinc/27/29/92/1343272992.db2.gz UBJIKTLSIUFKDW-UHFFFAOYSA-N 2 2 342.443 2.041 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001677048771 1357270496 /nfs/dbraw/zinc/27/04/96/1357270496.db2.gz TXAUQBSWYWDFEN-ZIAGYGMSSA-N 2 2 346.397 2.300 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)CCCC[NH+](C)C)CC2)c(C)o1 ZINC001677623931 1357376919 /nfs/dbraw/zinc/37/69/19/1357376919.db2.gz HJUAENKEPWHTHV-UHFFFAOYSA-N 2 2 348.491 2.272 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)CCCC[NH+](C)C)CC2)c(C)o1 ZINC001677623931 1357376920 /nfs/dbraw/zinc/37/69/20/1357376920.db2.gz HJUAENKEPWHTHV-UHFFFAOYSA-N 2 2 348.491 2.272 10 0 EEAELP CNc1cc(CNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC001649313846 1353473994 /nfs/dbraw/zinc/47/39/94/1353473994.db2.gz VUTSTVBYHNVIGP-UHFFFAOYSA-N 2 2 339.443 2.149 10 0 EEAELP CNc1cc(CNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc[nH+]1 ZINC001649313846 1353473998 /nfs/dbraw/zinc/47/39/98/1353473998.db2.gz VUTSTVBYHNVIGP-UHFFFAOYSA-N 2 2 339.443 2.149 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]Cc1cncs1 ZINC001656448877 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KTUMGZXYHBTQDM-QGZVFWFLSA-N 2 2 336.480 2.080 10 0 EEAELP CC(C)OCCC[N@@H+](C)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001662844995 1354862946 /nfs/dbraw/zinc/86/29/46/1354862946.db2.gz KTUMGZXYHBTQDM-QGZVFWFLSA-N 2 2 336.480 2.080 10 0 EEAELP CCc1cccc(C[NH2+]CCN(C)C(=O)CCc2[nH+]ccn2C)c1 ZINC001664090308 1355090819 /nfs/dbraw/zinc/09/08/19/1355090819.db2.gz QFOYGISAXSGZLP-UHFFFAOYSA-N 2 2 328.460 2.163 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001666120487 1355458192 /nfs/dbraw/zinc/45/81/92/1355458192.db2.gz VLGCYVKQIDBAKH-ZWKOTPCHSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001666938989 1355618242 /nfs/dbraw/zinc/61/82/42/1355618242.db2.gz QIMJDCSEOCFPBI-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP CN(CC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)CCc1c[nH]c[nH+]1 ZINC001667574875 1355763077 /nfs/dbraw/zinc/76/30/77/1355763077.db2.gz NRZWXAFRVNWWFZ-LBPRGKRZSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)CCc1c[nH]c[nH+]1 ZINC001667574875 1355763080 /nfs/dbraw/zinc/76/30/80/1355763080.db2.gz NRZWXAFRVNWWFZ-LBPRGKRZSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)CCc1c[nH+]c[nH]1 ZINC001667574875 1355763086 /nfs/dbraw/zinc/76/30/86/1355763086.db2.gz NRZWXAFRVNWWFZ-LBPRGKRZSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)CCc1c[nH+]c[nH]1 ZINC001667574875 1355763090 /nfs/dbraw/zinc/76/30/90/1355763090.db2.gz NRZWXAFRVNWWFZ-LBPRGKRZSA-N 2 2 347.290 2.316 10 0 EEAELP CCN(CC[NH2+]Cc1cccc2cccnc21)C(=O)Cc1[nH]cc[nH+]1 ZINC001668596743 1355969213 /nfs/dbraw/zinc/96/92/13/1355969213.db2.gz GBHUDRCWCCXSAP-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP CC1CC(C[NH2+]CC=CCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001668834063 1356016853 /nfs/dbraw/zinc/01/68/53/1356016853.db2.gz PVGZIKHUIHINJL-RZSMKOHRSA-N 2 2 345.491 2.098 10 0 EEAELP CC1CC(C[NH2+]CC=CCNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001668834063 1356016858 /nfs/dbraw/zinc/01/68/58/1356016858.db2.gz PVGZIKHUIHINJL-RZSMKOHRSA-N 2 2 345.491 2.098 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001669080402 1356087593 /nfs/dbraw/zinc/08/75/93/1356087593.db2.gz ONXFCPVVXIKGFO-DTSKHDKYSA-N 2 2 340.418 2.286 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001669080402 1356087598 /nfs/dbraw/zinc/08/75/98/1356087598.db2.gz ONXFCPVVXIKGFO-DTSKHDKYSA-N 2 2 340.418 2.286 10 0 EEAELP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCCn1cc[nH+]c1 ZINC001669486048 1356166617 /nfs/dbraw/zinc/16/66/17/1356166617.db2.gz WWDGCDQXZXJYDU-CYBMUJFWSA-N 2 2 335.839 2.006 10 0 EEAELP CC(C)=CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001671969100 1356445803 /nfs/dbraw/zinc/44/58/03/1356445803.db2.gz SFNGMLWKEVYGDS-OAHLLOKOSA-N 2 2 340.418 2.313 10 0 EEAELP CC(C)=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001671969100 1356445806 /nfs/dbraw/zinc/44/58/06/1356445806.db2.gz SFNGMLWKEVYGDS-OAHLLOKOSA-N 2 2 340.418 2.313 10 0 EEAELP COCCC[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001672816697 1356591863 /nfs/dbraw/zinc/59/18/63/1356591863.db2.gz UTIZBQDWEZAABE-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CC=C(C)C)C2)O1 ZINC001673543194 1356708138 /nfs/dbraw/zinc/70/81/38/1356708138.db2.gz QCXSYIJIGGHUIR-KRWDZBQOSA-N 2 2 337.508 2.034 10 0 EEAELP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CCC2(C[NH+](CC=C(C)C)C2)O1 ZINC001673543194 1356708142 /nfs/dbraw/zinc/70/81/42/1356708142.db2.gz QCXSYIJIGGHUIR-KRWDZBQOSA-N 2 2 337.508 2.034 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001698947212 1405176400 /nfs/dbraw/zinc/17/64/00/1405176400.db2.gz PHDXMFFRJFGDFJ-RYUDHWBXSA-N 2 2 345.274 2.488 10 0 EEAELP C[C@H](CC[NH2+]Cc1csc(C(C)(C)C)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001699137289 1405287059 /nfs/dbraw/zinc/28/70/59/1405287059.db2.gz BSASUDMXKYQIRD-GFCCVEGCSA-N 2 2 349.504 2.391 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)CCc2c[nH+]cn2C)c(C)s1 ZINC001699549923 1405385575 /nfs/dbraw/zinc/38/55/75/1405385575.db2.gz YUPYJIRJARBKAI-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH2+]CCC[C@@H](C)O)c(C)[nH+]1 ZINC001699755174 1405467689 /nfs/dbraw/zinc/46/76/89/1405467689.db2.gz SFHZQVSXAKMCRM-WBVHZDCISA-N 2 2 333.476 2.362 10 0 EEAELP CCOCCC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001699770727 1405478347 /nfs/dbraw/zinc/47/83/47/1405478347.db2.gz LUDMKTQKGGWZNS-UHFFFAOYSA-N 2 2 349.475 2.030 10 0 EEAELP COCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699820095 1405507173 /nfs/dbraw/zinc/50/71/73/1405507173.db2.gz SPWWXSLNFDMKFA-FUHWJXTLSA-N 2 2 336.480 2.087 10 0 EEAELP COCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699820095 1405507190 /nfs/dbraw/zinc/50/71/90/1405507190.db2.gz SPWWXSLNFDMKFA-FUHWJXTLSA-N 2 2 336.480 2.087 10 0 EEAELP O=C1CCCCN1c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817894717 785050036 /nfs/dbraw/zinc/05/00/36/785050036.db2.gz NLBHKWJKHHOATL-QUCCMNQESA-N 2 2 343.471 2.060 10 0 EEAELP CC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C ZINC000912302829 788096024 /nfs/dbraw/zinc/09/60/24/788096024.db2.gz GXWRGYZYYHVSFV-HNNXBMFYSA-N 2 2 333.476 2.199 10 0 EEAELP CC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000912302829 788096032 /nfs/dbraw/zinc/09/60/32/788096032.db2.gz GXWRGYZYYHVSFV-HNNXBMFYSA-N 2 2 333.476 2.199 10 0 EEAELP C[C@@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)[N@@H+]1CCc2ccccc2C1 ZINC000912378366 788132019 /nfs/dbraw/zinc/13/20/19/788132019.db2.gz IFLVCWPVYCLXAG-YWZLYKJASA-N 2 2 327.472 2.034 10 0 EEAELP C[C@@H](C(=O)N[C@@]1(C)C[NH+]2CCC1CC2)[N@H+]1CCc2ccccc2C1 ZINC000912378366 788132025 /nfs/dbraw/zinc/13/20/25/788132025.db2.gz IFLVCWPVYCLXAG-YWZLYKJASA-N 2 2 327.472 2.034 10 0 EEAELP C[NH2+]C1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923288449 789317101 /nfs/dbraw/zinc/31/71/01/789317101.db2.gz WSWPDIWYWUSLGQ-ZDUSSCGKSA-N 2 2 333.259 2.417 10 0 EEAELP C/C(=C\C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000913792802 794285187 /nfs/dbraw/zinc/28/51/87/794285187.db2.gz SEBYNXJQOPXXNV-FBMGVBCBSA-N 2 2 349.519 2.132 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1sccc1Br ZINC000713034095 794552445 /nfs/dbraw/zinc/55/24/45/794552445.db2.gz FBJDEMLFGXNAFL-GHMZBOCLSA-N 2 2 333.295 2.410 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC001184437507 802017756 /nfs/dbraw/zinc/01/77/56/802017756.db2.gz YNJYKDWUYGGFJS-UHFFFAOYSA-N 2 2 348.450 2.458 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccsc1 ZINC001566467786 1125627167 /nfs/dbraw/zinc/62/71/67/1125627167.db2.gz ICJRSPVUQLFLBB-OAHLLOKOSA-N 2 2 332.473 2.145 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccsc1 ZINC001566467786 1125627171 /nfs/dbraw/zinc/62/71/71/1125627171.db2.gz ICJRSPVUQLFLBB-OAHLLOKOSA-N 2 2 332.473 2.145 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2c(F)cccc2F)[C@@H]1C ZINC001436492376 1087990815 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RZEKHCUTSRCHFV-CVEARBPZSA-N 2 2 348.491 2.499 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001437729117 1090286324 /nfs/dbraw/zinc/28/63/24/1090286324.db2.gz JIFYNQGRNDVFKT-GJZGRUSLSA-N 2 2 345.447 2.023 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001437729117 1090286328 /nfs/dbraw/zinc/28/63/28/1090286328.db2.gz JIFYNQGRNDVFKT-GJZGRUSLSA-N 2 2 345.447 2.023 10 0 EEAELP CC(C)[N@@H+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001437922188 1090511394 /nfs/dbraw/zinc/51/13/94/1090511394.db2.gz YHVJDNHOAPAXHK-YOEHRIQHSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[N@H+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001437922188 1090511396 /nfs/dbraw/zinc/51/13/96/1090511396.db2.gz YHVJDNHOAPAXHK-YOEHRIQHSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[NH+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001437922188 1090511400 /nfs/dbraw/zinc/51/14/00/1090511400.db2.gz YHVJDNHOAPAXHK-YOEHRIQHSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[NH+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001437922188 1090511406 /nfs/dbraw/zinc/51/14/06/1090511406.db2.gz YHVJDNHOAPAXHK-YOEHRIQHSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001437974927 1090566066 /nfs/dbraw/zinc/56/60/66/1090566066.db2.gz GFCBSKCSIPNKHN-INIZCTEOSA-N 2 2 332.492 2.198 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001437974927 1090566069 /nfs/dbraw/zinc/56/60/69/1090566069.db2.gz GFCBSKCSIPNKHN-INIZCTEOSA-N 2 2 332.492 2.198 10 0 EEAELP C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)O1 ZINC001438062082 1090625379 /nfs/dbraw/zinc/62/53/79/1090625379.db2.gz KBKPZXQPHINHNE-WMLDXEAASA-N 2 2 337.508 2.007 10 0 EEAELP C[C@H]1CC[C@H](C[NH+]2CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)O1 ZINC001438062082 1090625384 /nfs/dbraw/zinc/62/53/84/1090625384.db2.gz KBKPZXQPHINHNE-WMLDXEAASA-N 2 2 337.508 2.007 10 0 EEAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cnc(C)s1 ZINC001438342492 1090819105 /nfs/dbraw/zinc/81/91/05/1090819105.db2.gz MBLZEOJRERADKC-TZMCWYRMSA-N 2 2 335.477 2.284 10 0 EEAELP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001438394827 1090881752 /nfs/dbraw/zinc/88/17/52/1090881752.db2.gz VLOBVNHMRWALLW-GJZGRUSLSA-N 2 2 336.455 2.212 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001445445062 1091206551 /nfs/dbraw/zinc/20/65/51/1091206551.db2.gz LJAZZRPEMJELAB-HUUCEWRRSA-N 2 2 330.432 2.137 10 0 EEAELP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001445533663 1091302187 /nfs/dbraw/zinc/30/21/87/1091302187.db2.gz CCWVUWKRFBWFPQ-SUMWQHHRSA-N 2 2 347.507 2.321 10 0 EEAELP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001445533663 1091302196 /nfs/dbraw/zinc/30/21/96/1091302196.db2.gz CCWVUWKRFBWFPQ-SUMWQHHRSA-N 2 2 347.507 2.321 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cscn1)c1ccccc1 ZINC001445648364 1091437747 /nfs/dbraw/zinc/43/77/47/1091437747.db2.gz WYXDJASUZKORAY-YOEHRIQHSA-N 2 2 346.500 2.430 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cscn1)c1ccccc1 ZINC001445648364 1091437750 /nfs/dbraw/zinc/43/77/50/1091437750.db2.gz WYXDJASUZKORAY-YOEHRIQHSA-N 2 2 346.500 2.430 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[N@H+](C)Cc1ccccn1 ZINC001438873576 1091517678 /nfs/dbraw/zinc/51/76/78/1091517678.db2.gz LYALYEKQPHVWRI-MRXNPFEDSA-N 2 2 343.475 2.382 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccccn1 ZINC001438873576 1091517686 /nfs/dbraw/zinc/51/76/86/1091517686.db2.gz LYALYEKQPHVWRI-MRXNPFEDSA-N 2 2 343.475 2.382 10 0 EEAELP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C2CC2)no1 ZINC001445717387 1091530997 /nfs/dbraw/zinc/53/09/97/1091530997.db2.gz LFAQYRGQZIQVKT-RDTXWAMCSA-N 2 2 348.491 2.361 10 0 EEAELP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001445717387 1091531001 /nfs/dbraw/zinc/53/10/01/1091531001.db2.gz LFAQYRGQZIQVKT-RDTXWAMCSA-N 2 2 348.491 2.361 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C2CC2)no1 ZINC001445717387 1091531006 /nfs/dbraw/zinc/53/10/06/1091531006.db2.gz LFAQYRGQZIQVKT-RDTXWAMCSA-N 2 2 348.491 2.361 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C2CC2)no1 ZINC001445717387 1091531013 /nfs/dbraw/zinc/53/10/13/1091531013.db2.gz LFAQYRGQZIQVKT-RDTXWAMCSA-N 2 2 348.491 2.361 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001439130313 1091776015 /nfs/dbraw/zinc/77/60/15/1091776015.db2.gz JKOAAABBLGWOLA-RDTXWAMCSA-N 2 2 339.439 2.415 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001445970380 1091925723 /nfs/dbraw/zinc/92/57/23/1091925723.db2.gz IXPMPKRAZBTXBS-INIZCTEOSA-N 2 2 347.488 2.031 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001445992849 1091966839 /nfs/dbraw/zinc/96/68/39/1091966839.db2.gz QMGMFFZHBXQMTG-UGSOOPFHSA-N 2 2 344.434 2.412 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001445992849 1091966847 /nfs/dbraw/zinc/96/68/47/1091966847.db2.gz QMGMFFZHBXQMTG-UGSOOPFHSA-N 2 2 344.434 2.412 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001445992843 1091966868 /nfs/dbraw/zinc/96/68/68/1091966868.db2.gz QMGMFFZHBXQMTG-ACJLOTCBSA-N 2 2 344.434 2.412 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001445992843 1091966874 /nfs/dbraw/zinc/96/68/74/1091966874.db2.gz QMGMFFZHBXQMTG-ACJLOTCBSA-N 2 2 344.434 2.412 10 0 EEAELP CCO[C@H](C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001446064266 1092078198 /nfs/dbraw/zinc/07/81/98/1092078198.db2.gz OCCCZYWFGXOBSH-CRAIPNDOSA-N 2 2 342.443 2.182 10 0 EEAELP CCO[C@H](C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001446064266 1092078206 /nfs/dbraw/zinc/07/82/06/1092078206.db2.gz OCCCZYWFGXOBSH-CRAIPNDOSA-N 2 2 342.443 2.182 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1cncs1)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001439404892 1092165257 /nfs/dbraw/zinc/16/52/57/1092165257.db2.gz JBDXGMPIANVJHL-HNNXBMFYSA-N 2 2 346.500 2.212 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1cncs1)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001439404892 1092165263 /nfs/dbraw/zinc/16/52/63/1092165263.db2.gz JBDXGMPIANVJHL-HNNXBMFYSA-N 2 2 346.500 2.212 10 0 EEAELP C[C@@H](C[NH+](C)Cc1cncs1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001439404892 1092165269 /nfs/dbraw/zinc/16/52/69/1092165269.db2.gz JBDXGMPIANVJHL-HNNXBMFYSA-N 2 2 346.500 2.212 10 0 EEAELP C[C@@H](C[NH+](C)Cc1cncs1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001439404892 1092165272 /nfs/dbraw/zinc/16/52/72/1092165272.db2.gz JBDXGMPIANVJHL-HNNXBMFYSA-N 2 2 346.500 2.212 10 0 EEAELP O=C(NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001446194801 1092270387 /nfs/dbraw/zinc/27/03/87/1092270387.db2.gz GQBPKOPJTKIGAP-JHJVBQTASA-N 2 2 338.402 2.187 10 0 EEAELP O=C(NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001446194801 1092270402 /nfs/dbraw/zinc/27/04/02/1092270402.db2.gz GQBPKOPJTKIGAP-JHJVBQTASA-N 2 2 338.402 2.187 10 0 EEAELP C[C@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1)c1cc(F)ccc1F ZINC001439499461 1092333348 /nfs/dbraw/zinc/33/33/48/1092333348.db2.gz RCKUEVFWEZEJSV-SJCJKPOMSA-N 2 2 348.397 2.407 10 0 EEAELP CC1(NC(=O)Cn2cc[nH+]c2)CC[NH+](CCc2ccccc2F)CC1 ZINC001439801853 1092758240 /nfs/dbraw/zinc/75/82/40/1092758240.db2.gz DLBGJUIOQKEYGU-UHFFFAOYSA-N 2 2 344.434 2.236 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCCF)CCC1(F)F ZINC001439974382 1093090655 /nfs/dbraw/zinc/09/06/55/1093090655.db2.gz QIKACNRRYKGLEK-CHWSQXEVSA-N 2 2 346.397 2.021 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCCF)CCC1(F)F ZINC001439974382 1093090664 /nfs/dbraw/zinc/09/06/64/1093090664.db2.gz QIKACNRRYKGLEK-CHWSQXEVSA-N 2 2 346.397 2.021 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2c(F)cccc2F)CC1(C)C ZINC001448395238 1093393401 /nfs/dbraw/zinc/39/34/01/1093393401.db2.gz WWSNSPZLKCHBOM-MRXNPFEDSA-N 2 2 339.430 2.243 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2c(F)cccc2F)CC1(C)C ZINC001448395238 1093393409 /nfs/dbraw/zinc/39/34/09/1093393409.db2.gz WWSNSPZLKCHBOM-MRXNPFEDSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)c1cc(F)ccc1F ZINC001440363810 1093527856 /nfs/dbraw/zinc/52/78/56/1093527856.db2.gz WKXLYGMNWKANMK-YDHLFZDLSA-N 2 2 348.397 2.407 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001448673100 1093740321 /nfs/dbraw/zinc/74/03/21/1093740321.db2.gz OCBOEOALQXJQGI-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001448673100 1093740324 /nfs/dbraw/zinc/74/03/24/1093740324.db2.gz OCBOEOALQXJQGI-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001440663909 1093931571 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BYIPQYRMJTTZBF-WCXIOVBPSA-N 2 2 336.455 2.124 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)n1cc[nH+]c1 ZINC001441293296 1094728013 /nfs/dbraw/zinc/72/80/13/1094728013.db2.gz BYIPQYRMJTTZBF-WCXIOVBPSA-N 2 2 336.455 2.124 10 0 EEAELP C[C@H](CC(=O)NC1CCC([NH2+]Cc2ccccn2)CC1)n1cc[nH+]c1 ZINC001441731845 1095713967 /nfs/dbraw/zinc/71/39/67/1095713967.db2.gz DUKDNHBHEWQJDE-KLAILNCOSA-N 2 2 341.459 2.446 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC001441893498 1096034820 /nfs/dbraw/zinc/03/48/20/1096034820.db2.gz DEHMUDZXRJQIGH-HUUCEWRRSA-N 2 2 347.488 2.195 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC[C@@H]1CCCCO1 ZINC001441904617 1096068167 /nfs/dbraw/zinc/06/81/67/1096068167.db2.gz HPIVJWPIVSWWER-CABCVRRESA-N 2 2 330.432 2.001 10 0 EEAELP COC[C@H](C)[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001442102261 1096325905 /nfs/dbraw/zinc/32/59/05/1096325905.db2.gz FOMGPBMQZIPQOM-INIZCTEOSA-N 2 2 346.475 2.460 10 0 EEAELP 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ITHOVKFBSDGLCA-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP CCn1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001448103282 1104008236 /nfs/dbraw/zinc/00/82/36/1104008236.db2.gz QLNCLQSLUCMVCB-SJORKVTESA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001448103282 1104008247 /nfs/dbraw/zinc/00/82/47/1104008247.db2.gz QLNCLQSLUCMVCB-SJORKVTESA-N 2 2 349.523 2.104 10 0 EEAELP CC1CC(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001480834376 1107233719 /nfs/dbraw/zinc/23/37/19/1107233719.db2.gz NXTYEZQDHTVNEP-JCYILVPMSA-N 2 2 332.492 2.370 10 0 EEAELP CC1CC(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001480834376 1107233733 /nfs/dbraw/zinc/23/37/33/1107233733.db2.gz NXTYEZQDHTVNEP-JCYILVPMSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1c(F)cccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498368445 1107401320 /nfs/dbraw/zinc/40/13/20/1107401320.db2.gz UWWLBIDIERRALC-ZDUSSCGKSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1c(F)cccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498368445 1107401328 /nfs/dbraw/zinc/40/13/28/1107401328.db2.gz UWWLBIDIERRALC-ZDUSSCGKSA-N 2 2 339.430 2.243 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCc2c1cc(F)cc2F ZINC001493066651 1107429961 /nfs/dbraw/zinc/42/99/61/1107429961.db2.gz GSVGNPOROJUDSX-KRWDZBQOSA-N 2 2 348.397 2.287 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H]1CCc2c1cc(F)cc2F ZINC001493066651 1107429968 /nfs/dbraw/zinc/42/99/68/1107429968.db2.gz GSVGNPOROJUDSX-KRWDZBQOSA-N 2 2 348.397 2.287 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001498397920 1107453122 /nfs/dbraw/zinc/45/31/22/1107453122.db2.gz JPHXVORZMCZCSV-HOCLYGCPSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001498397920 1107453126 /nfs/dbraw/zinc/45/31/26/1107453126.db2.gz JPHXVORZMCZCSV-HOCLYGCPSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001498397920 1107453134 /nfs/dbraw/zinc/45/31/34/1107453134.db2.gz JPHXVORZMCZCSV-HOCLYGCPSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001498397920 1107453139 /nfs/dbraw/zinc/45/31/39/1107453139.db2.gz JPHXVORZMCZCSV-HOCLYGCPSA-N 2 2 336.480 2.182 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493110340 1107514369 /nfs/dbraw/zinc/51/43/69/1107514369.db2.gz HBBIYWFMUKKTDD-IAGOWNOFSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493110340 1107514379 /nfs/dbraw/zinc/51/43/79/1107514379.db2.gz HBBIYWFMUKKTDD-IAGOWNOFSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]C[C@@H]3CCCOC3)ccn12 ZINC001498552439 1107711121 /nfs/dbraw/zinc/71/11/21/1107711121.db2.gz QWUAEUXZZJFRFN-INIZCTEOSA-N 2 2 344.459 2.121 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1)n1cc[nH+]c1 ZINC001493239417 1107750512 /nfs/dbraw/zinc/75/05/12/1107750512.db2.gz ASOFEJDSNSMGAJ-GJZGRUSLSA-N 2 2 345.422 2.007 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1)n1cc[nH+]c1 ZINC001493239417 1107750528 /nfs/dbraw/zinc/75/05/28/1107750528.db2.gz ASOFEJDSNSMGAJ-GJZGRUSLSA-N 2 2 345.422 2.007 10 0 EEAELP CCc1nocc1C[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001498578105 1107754051 /nfs/dbraw/zinc/75/40/51/1107754051.db2.gz SAJZFKKSNWXLFX-UHFFFAOYSA-N 2 2 341.415 2.137 10 0 EEAELP C[C@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001455507833 1108644560 /nfs/dbraw/zinc/64/45/60/1108644560.db2.gz FEIVKAUHIYEEGS-POAQFYNOSA-N 2 2 338.455 2.425 10 0 EEAELP C[C@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001455507833 1108644569 /nfs/dbraw/zinc/64/45/69/1108644569.db2.gz FEIVKAUHIYEEGS-POAQFYNOSA-N 2 2 338.455 2.425 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1Cc1nc2ccccc2o1)C(=O)CCC[NH+](C)C ZINC001479241922 1110665999 /nfs/dbraw/zinc/66/59/99/1110665999.db2.gz SUNVJXGQXJFFKL-HNNXBMFYSA-N 2 2 344.459 2.202 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1Cc1nc2ccccc2o1)C(=O)CCC[NH+](C)C ZINC001479241922 1110666001 /nfs/dbraw/zinc/66/60/01/1110666001.db2.gz SUNVJXGQXJFFKL-HNNXBMFYSA-N 2 2 344.459 2.202 10 0 EEAELP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)CC2)o1 ZINC001499256232 1112203193 /nfs/dbraw/zinc/20/31/93/1112203193.db2.gz ACHYPRXLPYWEJJ-MRXNPFEDSA-N 2 2 345.447 2.205 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001499935966 1112547649 /nfs/dbraw/zinc/54/76/49/1112547649.db2.gz RNXRJMDPVXORNU-KBPBESRZSA-N 2 2 340.418 2.358 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C2CCCC2)C1 ZINC001500116362 1112624836 /nfs/dbraw/zinc/62/48/36/1112624836.db2.gz DNVUSARFYAEZJW-JKSUJKDBSA-N 2 2 348.491 2.032 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@H](C[NH2+]Cc2cscn2)CC1 ZINC001501190353 1113235238 /nfs/dbraw/zinc/23/52/38/1113235238.db2.gz YGKQLMKYJQFUGK-SHTZXODSSA-N 2 2 347.488 2.052 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001505697213 1114137049 /nfs/dbraw/zinc/13/70/49/1114137049.db2.gz DXGKKCJWGCWVLC-CVEARBPZSA-N 2 2 344.459 2.131 10 0 EEAELP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccn1 ZINC001506065204 1114388979 /nfs/dbraw/zinc/38/89/79/1114388979.db2.gz LGNDTEVILYRRPL-VQIMIIECSA-N 2 2 340.471 2.321 10 0 EEAELP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccn1 ZINC001506065204 1114388984 /nfs/dbraw/zinc/38/89/84/1114388984.db2.gz LGNDTEVILYRRPL-VQIMIIECSA-N 2 2 340.471 2.321 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCCCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001506888911 1114952247 /nfs/dbraw/zinc/95/22/47/1114952247.db2.gz OJRTXRYIKKJRGA-BZUAXINKSA-N 2 2 336.455 2.070 10 0 EEAELP CC(C)[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CCC1 ZINC001506986581 1115033598 /nfs/dbraw/zinc/03/35/98/1115033598.db2.gz UPGUBKDLLMPIPO-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001507163727 1115142684 /nfs/dbraw/zinc/14/26/84/1115142684.db2.gz NMPKHXSVDNJJGA-CQSZACIVSA-N 2 2 325.416 2.001 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001507406111 1115253988 /nfs/dbraw/zinc/25/39/88/1115253988.db2.gz CNIJDXRNWSJXMQ-QWHCGFSZSA-N 2 2 346.397 2.180 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)C2)o1 ZINC001507422853 1115260379 /nfs/dbraw/zinc/26/03/79/1115260379.db2.gz VVTOQZGFCABCRL-CVEARBPZSA-N 2 2 345.447 2.034 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)o1 ZINC001507422864 1115260694 /nfs/dbraw/zinc/26/06/94/1115260694.db2.gz VVTOQZGFCABCRL-JKSUJKDBSA-N 2 2 345.447 2.034 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C)s1 ZINC001508029434 1115393797 /nfs/dbraw/zinc/39/37/97/1115393797.db2.gz RFCABKWUJCIDEA-OAHLLOKOSA-N 2 2 349.504 2.346 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001568090622 1124294335 /nfs/dbraw/zinc/29/43/35/1124294335.db2.gz LQPWNYFYPHJORV-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC001568347253 1124430362 /nfs/dbraw/zinc/43/03/62/1124430362.db2.gz YPMJVDRCCXJEBM-RDJZCZTQSA-N 2 2 348.491 2.034 10 0 EEAELP CCCC[NH2+][C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001568460312 1124523564 /nfs/dbraw/zinc/52/35/64/1124523564.db2.gz GYSSJBKPQPPLPK-ZWKOTPCHSA-N 2 2 339.524 2.160 10 0 EEAELP CCCC[NH2+][C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001568460312 1124523581 /nfs/dbraw/zinc/52/35/81/1124523581.db2.gz GYSSJBKPQPPLPK-ZWKOTPCHSA-N 2 2 339.524 2.160 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001568683267 1124696052 /nfs/dbraw/zinc/69/60/52/1124696052.db2.gz UZPHVEODXWWZCN-KBPBESRZSA-N 2 2 333.411 2.053 10 0 EEAELP CCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC001568699478 1124713736 /nfs/dbraw/zinc/71/37/36/1124713736.db2.gz RHEMQLHLLPETLK-OAHLLOKOSA-N 2 2 328.460 2.210 10 0 EEAELP Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC001568949391 1124982904 /nfs/dbraw/zinc/98/29/04/1124982904.db2.gz BVAHXWYJMUFTCH-AATRIKPKSA-N 2 2 340.471 2.350 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccc(Cl)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001569030332 1125052697 /nfs/dbraw/zinc/05/26/97/1125052697.db2.gz NDHHWHOYERHELI-CQSZACIVSA-N 2 2 348.878 2.343 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)c1cccc2[nH+]ccn21 ZINC001569068513 1125078702 /nfs/dbraw/zinc/07/87/02/1125078702.db2.gz UQCMNUPHZAZKRN-LBPRGKRZSA-N 2 2 343.818 2.291 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569211676 1125167857 /nfs/dbraw/zinc/16/78/57/1125167857.db2.gz LPLDKXPPXOOOBZ-HZPDHXFCSA-N 2 2 330.407 2.291 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001569211676 1125167859 /nfs/dbraw/zinc/16/78/59/1125167859.db2.gz LPLDKXPPXOOOBZ-HZPDHXFCSA-N 2 2 330.407 2.291 10 0 EEAELP CC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]CCCOC ZINC001569338281 1125238950 /nfs/dbraw/zinc/23/89/50/1125238950.db2.gz KHDDEVXUSMYRSO-GOEBONIOSA-N 2 2 344.459 2.430 10 0 EEAELP CC1CC[NH+](C2CCC([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000422971028 240310443 /nfs/dbraw/zinc/31/04/43/240310443.db2.gz XTVNYHLINOKJAL-GHBBCFCZSA-N 3 2 335.536 2.386 10 0 EEAELP CSc1ccc([C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)N(C)C)cc1 ZINC000423144489 240382719 /nfs/dbraw/zinc/38/27/19/240382719.db2.gz HFJDTGAMFGSZBX-OTWHNJEPSA-N 2 2 349.544 2.368 10 0 EEAELP CC(C)[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C1COC1 ZINC000451119386 243005816 /nfs/dbraw/zinc/00/58/16/243005816.db2.gz DELHGQNTAWOXHG-QGZVFWFLSA-N 2 2 345.487 2.001 10 0 EEAELP CC(C)[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C1COC1 ZINC000451119386 243005821 /nfs/dbraw/zinc/00/58/21/243005821.db2.gz DELHGQNTAWOXHG-QGZVFWFLSA-N 2 2 345.487 2.001 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000449394361 285259828 /nfs/dbraw/zinc/25/98/28/285259828.db2.gz NVGIXEKILGEVAS-KRWDZBQOSA-N 2 2 332.423 2.152 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000449394361 285259831 /nfs/dbraw/zinc/25/98/31/285259831.db2.gz NVGIXEKILGEVAS-KRWDZBQOSA-N 2 2 332.423 2.152 10 0 EEAELP CCN(C(=O)CC[NH2+]C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000262447614 152280723 /nfs/dbraw/zinc/28/07/23/152280723.db2.gz VPNFTILHTYFZDR-UHFFFAOYSA-N 2 2 347.507 2.335 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201382 154001939 /nfs/dbraw/zinc/00/19/39/154001939.db2.gz VFAWNRLMZHPBFZ-AWEZNQCLSA-N 2 2 342.443 2.475 10 0 EEAELP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCOC)s1 ZINC000092745391 159226046 /nfs/dbraw/zinc/22/60/46/159226046.db2.gz FSJBYAXYBUWWMC-DZGCQCFKSA-N 2 2 341.521 2.402 10 0 EEAELP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCOC)s1 ZINC000092745391 159226048 /nfs/dbraw/zinc/22/60/48/159226048.db2.gz FSJBYAXYBUWWMC-DZGCQCFKSA-N 2 2 341.521 2.402 10 0 EEAELP CCCCc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC000119650930 159380303 /nfs/dbraw/zinc/38/03/03/159380303.db2.gz SJGUYDDGOMPQRZ-SJPCQFCGSA-N 2 2 347.507 2.155 10 0 EEAELP CCCCc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC000119650930 159380307 /nfs/dbraw/zinc/38/03/07/159380307.db2.gz SJGUYDDGOMPQRZ-SJPCQFCGSA-N 2 2 347.507 2.155 10 0 EEAELP CCO[C@@H]1C[C@](O)(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000189441901 160142021 /nfs/dbraw/zinc/14/20/21/160142021.db2.gz GWJDVIGSQSNMAG-QUCCMNQESA-N 2 2 347.503 2.202 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)C[C@@H]2C1 ZINC000193626190 160184555 /nfs/dbraw/zinc/18/45/55/160184555.db2.gz AKSAXEKDRAUEIP-OTWHNJEPSA-N 2 2 327.472 2.234 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)C[C@@H]2C1 ZINC000193626190 160184557 /nfs/dbraw/zinc/18/45/57/160184557.db2.gz AKSAXEKDRAUEIP-OTWHNJEPSA-N 2 2 327.472 2.234 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)C[C@@H]2C1 ZINC000193626190 160184559 /nfs/dbraw/zinc/18/45/59/160184559.db2.gz AKSAXEKDRAUEIP-OTWHNJEPSA-N 2 2 327.472 2.234 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)C[C@@H]2C1 ZINC000193626190 160184560 /nfs/dbraw/zinc/18/45/60/160184560.db2.gz AKSAXEKDRAUEIP-OTWHNJEPSA-N 2 2 327.472 2.234 10 0 EEAELP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193632740 160184566 /nfs/dbraw/zinc/18/45/66/160184566.db2.gz CQFTZZGWIWAQFH-CWRNSKLLSA-N 2 2 335.879 2.353 10 0 EEAELP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193632740 160184567 /nfs/dbraw/zinc/18/45/67/160184567.db2.gz CQFTZZGWIWAQFH-CWRNSKLLSA-N 2 2 335.879 2.353 10 0 EEAELP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193632740 160184570 /nfs/dbraw/zinc/18/45/70/160184570.db2.gz CQFTZZGWIWAQFH-CWRNSKLLSA-N 2 2 335.879 2.353 10 0 EEAELP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193632740 160184571 /nfs/dbraw/zinc/18/45/71/160184571.db2.gz CQFTZZGWIWAQFH-CWRNSKLLSA-N 2 2 335.879 2.353 10 0 EEAELP CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246532090 160283739 /nfs/dbraw/zinc/28/37/39/160283739.db2.gz JLDLLFQWCFBRFL-MAUKXSAKSA-N 2 2 331.460 2.187 10 0 EEAELP CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246532090 160283742 /nfs/dbraw/zinc/28/37/42/160283742.db2.gz JLDLLFQWCFBRFL-MAUKXSAKSA-N 2 2 331.460 2.187 10 0 EEAELP CN(Cc1ccco1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246532090 160283744 /nfs/dbraw/zinc/28/37/44/160283744.db2.gz JLDLLFQWCFBRFL-MAUKXSAKSA-N 2 2 331.460 2.187 10 0 EEAELP CN(Cc1ccco1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246532090 160283746 /nfs/dbraw/zinc/28/37/46/160283746.db2.gz JLDLLFQWCFBRFL-MAUKXSAKSA-N 2 2 331.460 2.187 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246804129 160295516 /nfs/dbraw/zinc/29/55/16/160295516.db2.gz JFKFNPXMWMEANC-WMLDXEAASA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246804129 160295518 /nfs/dbraw/zinc/29/55/18/160295518.db2.gz JFKFNPXMWMEANC-WMLDXEAASA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000246804129 160295520 /nfs/dbraw/zinc/29/55/20/160295520.db2.gz JFKFNPXMWMEANC-WMLDXEAASA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000246804129 160295521 /nfs/dbraw/zinc/29/55/21/160295521.db2.gz JFKFNPXMWMEANC-WMLDXEAASA-N 2 2 347.459 2.058 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247086408 160309766 /nfs/dbraw/zinc/30/97/66/160309766.db2.gz XHBGQOPMWREOSN-HOCLYGCPSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247086408 160309767 /nfs/dbraw/zinc/30/97/67/160309767.db2.gz XHBGQOPMWREOSN-HOCLYGCPSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247086408 160309768 /nfs/dbraw/zinc/30/97/68/160309768.db2.gz XHBGQOPMWREOSN-HOCLYGCPSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247086408 160309769 /nfs/dbraw/zinc/30/97/69/160309769.db2.gz XHBGQOPMWREOSN-HOCLYGCPSA-N 2 2 347.459 2.135 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1F ZINC000247220886 160315288 /nfs/dbraw/zinc/31/52/88/160315288.db2.gz YOGJESDARWDIHB-QZTJIDSGSA-N 2 2 347.434 2.373 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1F ZINC000247220886 160315290 /nfs/dbraw/zinc/31/52/90/160315290.db2.gz YOGJESDARWDIHB-QZTJIDSGSA-N 2 2 347.434 2.373 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247340530 160321109 /nfs/dbraw/zinc/32/11/09/160321109.db2.gz GRDBYNBATDBCDU-WMLDXEAASA-N 2 2 330.407 2.222 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247340530 160321110 /nfs/dbraw/zinc/32/11/10/160321110.db2.gz GRDBYNBATDBCDU-WMLDXEAASA-N 2 2 330.407 2.222 10 0 EEAELP O=C(Nc1cc[nH+]cc1O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000345381199 161296777 /nfs/dbraw/zinc/29/67/77/161296777.db2.gz QQZORCSGGWTNIW-AWEZNQCLSA-N 2 2 329.375 2.199 10 0 EEAELP O=C(Nc1cc[nH+]cc1O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000345381199 161296778 /nfs/dbraw/zinc/29/67/78/161296778.db2.gz QQZORCSGGWTNIW-AWEZNQCLSA-N 2 2 329.375 2.199 10 0 EEAELP COCCN1CC[C@@H]([NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000346612538 161386060 /nfs/dbraw/zinc/38/60/60/161386060.db2.gz ZPNFUVYBRMWPDQ-UXHICEINSA-N 2 2 333.520 2.453 10 0 EEAELP COCCN1CC[C@@H]([NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000346612538 161386061 /nfs/dbraw/zinc/38/60/61/161386061.db2.gz ZPNFUVYBRMWPDQ-UXHICEINSA-N 2 2 333.520 2.453 10 0 EEAELP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1OC ZINC000355360948 163160963 /nfs/dbraw/zinc/16/09/63/163160963.db2.gz CWWUQWSXUFDGDP-UHFFFAOYSA-N 2 2 342.443 2.433 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1NC(C)=O ZINC000153279268 292503171 /nfs/dbraw/zinc/50/31/71/292503171.db2.gz ICVWQMCYYGYCKT-HUUCEWRRSA-N 2 2 349.475 2.273 10 0 EEAELP CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368088779 166049045 /nfs/dbraw/zinc/04/90/45/166049045.db2.gz HVCGNPVCYQFFMX-SNVBAGLBSA-N 2 2 339.848 2.114 10 0 EEAELP CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368088779 166049046 /nfs/dbraw/zinc/04/90/46/166049046.db2.gz HVCGNPVCYQFFMX-SNVBAGLBSA-N 2 2 339.848 2.114 10 0 EEAELP COC(=O)CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)CCOCC1 ZINC000361862321 164515370 /nfs/dbraw/zinc/51/53/70/164515370.db2.gz MVLZTLJCVXJYFJ-UHFFFAOYSA-N 2 2 343.427 2.383 10 0 EEAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCN(c2cnccn2)CC1 ZINC000375930316 167228815 /nfs/dbraw/zinc/22/88/15/167228815.db2.gz YNQXQUODFJLREX-UHFFFAOYSA-N 2 2 349.442 2.158 10 0 EEAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)C1CCN(c2cnccn2)CC1 ZINC000375930316 167228816 /nfs/dbraw/zinc/22/88/16/167228816.db2.gz YNQXQUODFJLREX-UHFFFAOYSA-N 2 2 349.442 2.158 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292206804 275393923 /nfs/dbraw/zinc/39/39/23/275393923.db2.gz SUIXTNCIRNHPAF-HXUWFJFHSA-N 2 2 329.488 2.451 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292206804 275393924 /nfs/dbraw/zinc/39/39/24/275393924.db2.gz SUIXTNCIRNHPAF-HXUWFJFHSA-N 2 2 329.488 2.451 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292206804 275393925 /nfs/dbraw/zinc/39/39/25/275393925.db2.gz SUIXTNCIRNHPAF-HXUWFJFHSA-N 2 2 329.488 2.451 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292206804 275393926 /nfs/dbraw/zinc/39/39/26/275393926.db2.gz SUIXTNCIRNHPAF-HXUWFJFHSA-N 2 2 329.488 2.451 10 0 EEAELP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119243593 279144686 /nfs/dbraw/zinc/14/46/86/279144686.db2.gz OUFQBRJNCPIFIZ-AWEZNQCLSA-N 2 2 349.479 2.078 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328697877 311613303 /nfs/dbraw/zinc/61/33/03/311613303.db2.gz UUSOGUDTFMKETN-WMLDXEAASA-N 2 2 344.846 2.272 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC2(CC[NH2+]2)CC1 ZINC000333226413 312115095 /nfs/dbraw/zinc/11/50/95/312115095.db2.gz BBFFJJXORZHXBY-UHFFFAOYSA-N 2 2 343.475 2.109 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2c(F)cccc2OC)CC1 ZINC000411477132 312541560 /nfs/dbraw/zinc/54/15/60/312541560.db2.gz VZJOTYOEFICLEW-CYBMUJFWSA-N 2 2 337.439 2.085 10 0 EEAELP Cc1ccc([C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)[C@H](C)S(C)(=O)=O)cc1 ZINC000414759934 313078524 /nfs/dbraw/zinc/07/85/24/313078524.db2.gz GGPWRUGVHRJDOQ-BHYGNILZSA-N 2 2 326.506 2.432 10 0 EEAELP C[C@H](C[NH3+])CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000418472672 313823183 /nfs/dbraw/zinc/82/31/83/313823183.db2.gz NQVZPORDILQSBE-ZIAGYGMSSA-N 2 2 338.883 2.323 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418593379 313855314 /nfs/dbraw/zinc/85/53/14/313855314.db2.gz MCQJQNVYMKXFLK-WBVHZDCISA-N 2 2 333.480 2.083 10 0 EEAELP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000418721108 313888524 /nfs/dbraw/zinc/88/85/24/313888524.db2.gz KJRHEQJGPNWAPU-CHWSQXEVSA-N 2 2 329.448 2.427 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000528021558 317304460 /nfs/dbraw/zinc/30/44/60/317304460.db2.gz PPCAHJQCKQXFOB-UHFFFAOYSA-N 2 2 327.432 2.283 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)Cn1cc[nH+]c1)c1cccc(OC)c1 ZINC000564637891 319095945 /nfs/dbraw/zinc/09/59/45/319095945.db2.gz GJYURTVBGIKNDP-QGZVFWFLSA-N 2 2 330.432 2.091 10 0 EEAELP COCC[NH2+]C1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000518986597 323627367 /nfs/dbraw/zinc/62/73/67/323627367.db2.gz SJNSCAJDYUSDMX-UHFFFAOYSA-N 2 2 328.460 2.381 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000580164202 324004554 /nfs/dbraw/zinc/00/45/54/324004554.db2.gz RBFNFAQKHQEUDS-UHFFFAOYSA-N 2 2 333.480 2.059 10 0 EEAELP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000580891572 324148320 /nfs/dbraw/zinc/14/83/20/324148320.db2.gz RCGZSWFKWOGZAX-CHWSQXEVSA-N 2 2 338.883 2.123 10 0 EEAELP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000580891572 324148322 /nfs/dbraw/zinc/14/83/22/324148322.db2.gz RCGZSWFKWOGZAX-CHWSQXEVSA-N 2 2 338.883 2.123 10 0 EEAELP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529366780 448842752 /nfs/dbraw/zinc/84/27/52/448842752.db2.gz MVJHEZQUIQOQFI-OAHLLOKOSA-N 2 2 348.495 2.104 10 0 EEAELP CC[NH+]1CCC(NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000623705036 450568152 /nfs/dbraw/zinc/56/81/52/450568152.db2.gz BATJEYURFADGMO-UHFFFAOYSA-N 2 2 348.495 2.104 10 0 EEAELP Cc1cc(NCCNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000623726081 450573902 /nfs/dbraw/zinc/57/39/02/450573902.db2.gz XVKDSJJDBJXCIX-CQSZACIVSA-N 2 2 348.495 2.102 10 0 EEAELP Cc1cc(NCCNC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000623726081 450573904 /nfs/dbraw/zinc/57/39/04/450573904.db2.gz XVKDSJJDBJXCIX-CQSZACIVSA-N 2 2 348.495 2.102 10 0 EEAELP COc1ccc([C@@H](C[NH+]2CCCC2)Nc2nc(C)[nH+]c(N)n2)cc1 ZINC000631201718 451638527 /nfs/dbraw/zinc/63/85/27/451638527.db2.gz UZPPUVNQTYQKPZ-OAHLLOKOSA-N 2 2 328.420 2.020 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1n1cc[nH+]c1 ZINC000125708044 463571027 /nfs/dbraw/zinc/57/10/27/463571027.db2.gz AAXMMWVVVNXLBB-QRQLOZEOSA-N 2 2 340.471 2.466 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000296355964 465168140 /nfs/dbraw/zinc/16/81/40/465168140.db2.gz IZHFTOGBUFYTFX-UHFFFAOYSA-N 2 2 333.411 2.103 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000337275828 465280454 /nfs/dbraw/zinc/28/04/54/465280454.db2.gz GDQRBYBBCYSWBD-BBWFWOEESA-N 2 2 330.476 2.300 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000337275828 465280456 /nfs/dbraw/zinc/28/04/56/465280456.db2.gz GDQRBYBBCYSWBD-BBWFWOEESA-N 2 2 330.476 2.300 10 0 EEAELP COc1ccc(F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000351699528 465299561 /nfs/dbraw/zinc/29/95/61/465299561.db2.gz BHJCFGQSBNWUBG-DNVCBOLYSA-N 2 2 335.467 2.292 10 0 EEAELP COc1ccc(F)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000351699528 465299564 /nfs/dbraw/zinc/29/95/64/465299564.db2.gz BHJCFGQSBNWUBG-DNVCBOLYSA-N 2 2 335.467 2.292 10 0 EEAELP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000590622566 468289750 /nfs/dbraw/zinc/28/97/50/468289750.db2.gz WKQLIGLWQYIMCD-PMACEKPBSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000590622566 468289755 /nfs/dbraw/zinc/28/97/55/468289755.db2.gz WKQLIGLWQYIMCD-PMACEKPBSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000590622566 468289759 /nfs/dbraw/zinc/28/97/59/468289759.db2.gz WKQLIGLWQYIMCD-PMACEKPBSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000590622566 468289765 /nfs/dbraw/zinc/28/97/65/468289765.db2.gz WKQLIGLWQYIMCD-PMACEKPBSA-N 2 2 328.456 2.145 10 0 EEAELP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)C ZINC000074317006 462584618 /nfs/dbraw/zinc/58/46/18/462584618.db2.gz GZDCMEOSACQVLJ-OAHLLOKOSA-N 2 2 333.476 2.482 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088483235 462632327 /nfs/dbraw/zinc/63/23/27/462632327.db2.gz YSSPYMPLHHVPTQ-UHFFFAOYSA-N 2 2 345.447 2.014 10 0 EEAELP CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000114717193 462674488 /nfs/dbraw/zinc/67/44/88/462674488.db2.gz IHVRNLLPMPHONF-HNNXBMFYSA-N 2 2 328.416 2.067 10 0 EEAELP CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000114717193 462674492 /nfs/dbraw/zinc/67/44/92/462674492.db2.gz IHVRNLLPMPHONF-HNNXBMFYSA-N 2 2 328.416 2.067 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114822432 462683724 /nfs/dbraw/zinc/68/37/24/462683724.db2.gz IBKLADRRTCKLMY-SJORKVTESA-N 2 2 347.507 2.200 10 0 EEAELP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000075602473 462737052 /nfs/dbraw/zinc/73/70/52/462737052.db2.gz UNRCMJHHQXMUJU-MRXNPFEDSA-N 2 2 336.399 2.250 10 0 EEAELP CC[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000130526827 462762365 /nfs/dbraw/zinc/76/23/65/462762365.db2.gz IXRDWVMMKSWHSN-KRWDZBQOSA-N 2 2 336.524 2.378 10 0 EEAELP c1ccc(N2CCC([NH2+]Cc3cnc(N4CCCC4)nc3)CC2)[nH+]c1 ZINC000048713121 462933047 /nfs/dbraw/zinc/93/30/47/462933047.db2.gz KDMAEDVEIJABDE-UHFFFAOYSA-N 2 2 338.459 2.230 10 0 EEAELP COCC[N@@H+]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C[C@H]1C ZINC000120817299 463041794 /nfs/dbraw/zinc/04/17/94/463041794.db2.gz GRYXNUZXGCJDNC-MRXNPFEDSA-N 2 2 328.460 2.333 10 0 EEAELP COCC[N@H+]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C[C@H]1C ZINC000120817299 463041796 /nfs/dbraw/zinc/04/17/96/463041796.db2.gz GRYXNUZXGCJDNC-MRXNPFEDSA-N 2 2 328.460 2.333 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000052589846 463094100 /nfs/dbraw/zinc/09/41/00/463094100.db2.gz HISVXDBLYAVTAT-SQUITACLSA-N 2 2 342.487 2.121 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000052589846 463094106 /nfs/dbraw/zinc/09/41/06/463094106.db2.gz HISVXDBLYAVTAT-SQUITACLSA-N 2 2 342.487 2.121 10 0 EEAELP C[C@@H](C(=O)N1CCCC1)[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069570008 463277875 /nfs/dbraw/zinc/27/78/75/463277875.db2.gz AVQGATXYAXLUJK-HNNXBMFYSA-N 2 2 341.459 2.086 10 0 EEAELP C[C@@H](C(=O)N1CCCC1)[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069570008 463277878 /nfs/dbraw/zinc/27/78/78/463277878.db2.gz AVQGATXYAXLUJK-HNNXBMFYSA-N 2 2 341.459 2.086 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCc2c(F)cccc2F)CC[N@@H+]1C ZINC000123645744 463358436 /nfs/dbraw/zinc/35/84/36/463358436.db2.gz GYHIEWUOMUUBEF-ZIAGYGMSSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCc2c(F)cccc2F)CC[N@H+]1C ZINC000123645744 463358439 /nfs/dbraw/zinc/35/84/39/463358439.db2.gz GYHIEWUOMUUBEF-ZIAGYGMSSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCc2c(F)cccc2F)CC[NH+]1C ZINC000123645744 463358441 /nfs/dbraw/zinc/35/84/41/463358441.db2.gz GYHIEWUOMUUBEF-ZIAGYGMSSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCc2c(F)cccc2F)CC[NH+]1C ZINC000123645744 463358443 /nfs/dbraw/zinc/35/84/43/463358443.db2.gz GYHIEWUOMUUBEF-ZIAGYGMSSA-N 2 2 339.430 2.038 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000105896848 463492651 /nfs/dbraw/zinc/49/26/51/463492651.db2.gz VWRUHSHVQHLJRW-INIZCTEOSA-N 2 2 337.431 2.258 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000105896848 463492656 /nfs/dbraw/zinc/49/26/56/463492656.db2.gz VWRUHSHVQHLJRW-INIZCTEOSA-N 2 2 337.431 2.258 10 0 EEAELP CC[N@H+](CC(=O)N[C@@H]1CCc2[nH+]ccn2C1)Cc1ccc(Cl)cc1 ZINC000072275518 463493926 /nfs/dbraw/zinc/49/39/26/463493926.db2.gz MOHZLDDRTDBFRW-MRXNPFEDSA-N 2 2 346.862 2.490 10 0 EEAELP CC[N@@H+](CC(=O)N[C@@H]1CCc2[nH+]ccn2C1)Cc1ccc(Cl)cc1 ZINC000072275518 463493930 /nfs/dbraw/zinc/49/39/30/463493930.db2.gz MOHZLDDRTDBFRW-MRXNPFEDSA-N 2 2 346.862 2.490 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000151261339 463501603 /nfs/dbraw/zinc/50/16/03/463501603.db2.gz CPHCRXMINAKNEI-YJBOKZPZSA-N 2 2 347.459 2.141 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000083844105 463564686 /nfs/dbraw/zinc/56/46/86/463564686.db2.gz ZNWYLSMBDOLYLH-INIZCTEOSA-N 2 2 342.443 2.017 10 0 EEAELP COCC[N@@H+]1CC[C@@H](NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000286883806 463732757 /nfs/dbraw/zinc/73/27/57/463732757.db2.gz COGFFOWAVPPCMI-UYAOXDASSA-N 2 2 349.519 2.387 10 0 EEAELP COCC[N@H+]1CC[C@@H](NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000286883806 463732761 /nfs/dbraw/zinc/73/27/61/463732761.db2.gz COGFFOWAVPPCMI-UYAOXDASSA-N 2 2 349.519 2.387 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000268920348 463808405 /nfs/dbraw/zinc/80/84/05/463808405.db2.gz OZCLFYCIUWSESV-INIZCTEOSA-N 2 2 345.516 2.293 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000268920348 463808409 /nfs/dbraw/zinc/80/84/09/463808409.db2.gz OZCLFYCIUWSESV-INIZCTEOSA-N 2 2 345.516 2.293 10 0 EEAELP c1cn(-c2csc(CN3CC[NH2+]C[C@H]3c3ccncc3)c2)c[nH+]1 ZINC000261997074 463922093 /nfs/dbraw/zinc/92/20/93/463922093.db2.gz KVBVQMKBIRIHTJ-KRWDZBQOSA-N 2 2 325.441 2.475 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2cc(Cl)c[nH]2)([NH+]2CCCCC2)CC1 ZINC000172850922 464154885 /nfs/dbraw/zinc/15/48/85/464154885.db2.gz KYNUKWBZFNLFOK-UHFFFAOYSA-N 2 2 338.883 2.348 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cn3ccccc3n2)CCC[N@H+]1C ZINC000284437796 464191404 /nfs/dbraw/zinc/19/14/04/464191404.db2.gz FHGRABLTZDREGS-HNAYVOBHSA-N 2 2 338.459 2.241 10 0 EEAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180664650 464364433 /nfs/dbraw/zinc/36/44/33/464364433.db2.gz HGCDQFBHUACUPK-ZIAGYGMSSA-N 2 2 343.431 2.146 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cn1 ZINC000579788360 468407041 /nfs/dbraw/zinc/40/70/41/468407041.db2.gz NOKZUHRQQXBPEJ-LJQANCHMSA-N 2 2 326.444 2.166 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cn1 ZINC000579788360 468407047 /nfs/dbraw/zinc/40/70/47/468407047.db2.gz NOKZUHRQQXBPEJ-LJQANCHMSA-N 2 2 326.444 2.166 10 0 EEAELP CC(C)CNC(=O)NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189882681 464560397 /nfs/dbraw/zinc/56/03/97/464560397.db2.gz YIVUSPAIJLXPPK-CQSZACIVSA-N 2 2 343.431 2.005 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000266911146 464868325 /nfs/dbraw/zinc/86/83/25/464868325.db2.gz SMROAISJABFXTH-SJLPKXTDSA-N 2 2 345.487 2.074 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000266911146 464868331 /nfs/dbraw/zinc/86/83/31/464868331.db2.gz SMROAISJABFXTH-SJLPKXTDSA-N 2 2 345.487 2.074 10 0 EEAELP COC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)C1CC1 ZINC000348360028 465566527 /nfs/dbraw/zinc/56/65/27/465566527.db2.gz BXIYSCZFYJDKBU-SJCJKPOMSA-N 2 2 328.416 2.418 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000348382940 465576037 /nfs/dbraw/zinc/57/60/37/465576037.db2.gz HZNXSYBXLZWJGG-GFCCVEGCSA-N 2 2 347.385 2.119 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000348382940 465576044 /nfs/dbraw/zinc/57/60/44/465576044.db2.gz HZNXSYBXLZWJGG-GFCCVEGCSA-N 2 2 347.385 2.119 10 0 EEAELP C[C@@H]1c2ccccc2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340255815 465924899 /nfs/dbraw/zinc/92/48/99/465924899.db2.gz QIDDHEXJJLYAJF-OAHLLOKOSA-N 2 2 330.476 2.299 10 0 EEAELP c1cn(-c2csc(C[N@H+]3CCC[C@@H]3CN3CCOCC3)c2)c[nH+]1 ZINC000346160483 465947792 /nfs/dbraw/zinc/94/77/92/465947792.db2.gz WTPOWQNTDBAGRH-OAHLLOKOSA-N 2 2 332.473 2.230 10 0 EEAELP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]3CN3CCOCC3)c2)c[nH+]1 ZINC000346160483 465947802 /nfs/dbraw/zinc/94/78/02/465947802.db2.gz WTPOWQNTDBAGRH-OAHLLOKOSA-N 2 2 332.473 2.230 10 0 EEAELP C[C@@H]1C[N@H+](CCN2CC[NH+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250114 466215071 /nfs/dbraw/zinc/21/50/71/466215071.db2.gz FJSSVFANSZVSGS-RTBURBONSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@@H]1C[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250114 466215074 /nfs/dbraw/zinc/21/50/74/466215074.db2.gz FJSSVFANSZVSGS-RTBURBONSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@@H]1C[NH+](CCN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250114 466215077 /nfs/dbraw/zinc/21/50/77/466215077.db2.gz FJSSVFANSZVSGS-RTBURBONSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@@H]1C[NH+](CCN2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250114 466215080 /nfs/dbraw/zinc/21/50/80/466215080.db2.gz FJSSVFANSZVSGS-RTBURBONSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569358702 468480307 /nfs/dbraw/zinc/48/03/07/468480307.db2.gz HXNWGNJLHJDEOA-ZNMIVQPWSA-N 2 2 333.480 2.234 10 0 EEAELP CCOC(=O)c1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000600175792 468485391 /nfs/dbraw/zinc/48/53/91/468485391.db2.gz ZDBBNIQBQJEWOZ-INIZCTEOSA-N 2 2 331.460 2.470 10 0 EEAELP CCOC(=O)c1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000600175792 468485393 /nfs/dbraw/zinc/48/53/93/468485393.db2.gz ZDBBNIQBQJEWOZ-INIZCTEOSA-N 2 2 331.460 2.470 10 0 EEAELP COc1cc(F)c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000361887370 466380320 /nfs/dbraw/zinc/38/03/20/466380320.db2.gz OKMHRCWSOPYLMD-UONOGXRCSA-N 2 2 340.439 2.462 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)CCC2 ZINC000332682085 466550542 /nfs/dbraw/zinc/55/05/42/466550542.db2.gz ITZWPGBQNBSYFO-CVEARBPZSA-N 2 2 333.480 2.051 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C)CCC2 ZINC000332682085 466550547 /nfs/dbraw/zinc/55/05/47/466550547.db2.gz ITZWPGBQNBSYFO-CVEARBPZSA-N 2 2 333.480 2.051 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@@H+]1C ZINC000341141892 466614804 /nfs/dbraw/zinc/61/48/04/466614804.db2.gz NKBLGQFSJOPDPP-VXGBXAGGSA-N 2 2 347.385 2.070 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@H+]1C ZINC000341141892 466614809 /nfs/dbraw/zinc/61/48/09/466614809.db2.gz NKBLGQFSJOPDPP-VXGBXAGGSA-N 2 2 347.385 2.070 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@@H+]1C ZINC000341141885 466615273 /nfs/dbraw/zinc/61/52/73/466615273.db2.gz NKBLGQFSJOPDPP-NEPJUHHUSA-N 2 2 347.385 2.070 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@H+]1C ZINC000341141885 466615279 /nfs/dbraw/zinc/61/52/79/466615279.db2.gz NKBLGQFSJOPDPP-NEPJUHHUSA-N 2 2 347.385 2.070 10 0 EEAELP COC[C@]1(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CCC[NH2+]1 ZINC000423425540 466746510 /nfs/dbraw/zinc/74/65/10/466746510.db2.gz MIYMFABZNYHKSG-SCLBCKFNSA-N 2 2 335.448 2.073 10 0 EEAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488008 466757091 /nfs/dbraw/zinc/75/70/91/466757091.db2.gz DBJUHJQSJGJUAE-IYWMVGAKSA-N 3 2 329.488 2.150 10 0 EEAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488008 466757093 /nfs/dbraw/zinc/75/70/93/466757093.db2.gz DBJUHJQSJGJUAE-IYWMVGAKSA-N 3 2 329.488 2.150 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)[nH+]1 ZINC000411219505 466785566 /nfs/dbraw/zinc/78/55/66/466785566.db2.gz AAIHDVYOBUXCOK-GJZGRUSLSA-N 2 2 346.475 2.324 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423838820 466869826 /nfs/dbraw/zinc/86/98/26/466869826.db2.gz XXGBJXWXMJSNBX-JKEMJCCQSA-N 2 2 337.414 2.214 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423838820 466869829 /nfs/dbraw/zinc/86/98/29/466869829.db2.gz XXGBJXWXMJSNBX-JKEMJCCQSA-N 2 2 337.414 2.214 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C[NH3+])C2CC2)c(C)c1 ZINC000417943241 466996424 /nfs/dbraw/zinc/99/64/24/466996424.db2.gz UUBQOZQOOJCGKY-QZTJIDSGSA-N 2 2 341.459 2.278 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417947419 466998394 /nfs/dbraw/zinc/99/83/94/466998394.db2.gz TWDVGZBKZFHEPC-KGLIPLIRSA-N 2 2 342.846 2.261 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417947419 466998399 /nfs/dbraw/zinc/99/83/99/466998399.db2.gz TWDVGZBKZFHEPC-KGLIPLIRSA-N 2 2 342.846 2.261 10 0 EEAELP O=C(NCCC[NH2+]C1CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418300866 467089911 /nfs/dbraw/zinc/08/99/11/467089911.db2.gz NTKSRAQMIGDANZ-HNNXBMFYSA-N 2 2 345.491 2.251 10 0 EEAELP CCN(c1ccccc1)c1cc(NC[C@@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000432331664 467232482 /nfs/dbraw/zinc/23/24/82/467232482.db2.gz PEQMLCBKOUBKGS-GOSISDBHSA-N 2 2 329.448 2.359 10 0 EEAELP CC1=C[C@H](C)C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428938957 467282440 /nfs/dbraw/zinc/28/24/40/467282440.db2.gz KPFKAWDEULVTPD-DOTOQJQBSA-N 2 2 328.460 2.017 10 0 EEAELP CC1=C[C@H](C)C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428938957 467282443 /nfs/dbraw/zinc/28/24/43/467282443.db2.gz KPFKAWDEULVTPD-DOTOQJQBSA-N 2 2 328.460 2.017 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000435126972 467448861 /nfs/dbraw/zinc/44/88/61/467448861.db2.gz STKOCSQROKQZHM-UHFFFAOYSA-N 2 2 339.399 2.396 10 0 EEAELP OCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000399126157 467452567 /nfs/dbraw/zinc/45/25/67/467452567.db2.gz SGCCCFBNEZBHJK-UHFFFAOYSA-N 2 2 331.229 2.135 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(N2CCOCC2)c1 ZINC000453255933 467470696 /nfs/dbraw/zinc/47/06/96/467470696.db2.gz FUZUINWURYBFGO-FXAWDEMLSA-N 2 2 347.503 2.021 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(N2CCOCC2)c1 ZINC000453255933 467470700 /nfs/dbraw/zinc/47/07/00/467470700.db2.gz FUZUINWURYBFGO-FXAWDEMLSA-N 2 2 347.503 2.021 10 0 EEAELP Brc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc2c1OCO2 ZINC000415067088 467480336 /nfs/dbraw/zinc/48/03/36/467480336.db2.gz KATYUWGWYZBEGC-NSHDSACASA-N 2 2 327.222 2.410 10 0 EEAELP CN(Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000420910115 467510295 /nfs/dbraw/zinc/51/02/95/467510295.db2.gz DRLNKNITFADQOP-FQEVSTJZSA-N 2 2 329.488 2.187 10 0 EEAELP CN(Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000420910115 467510300 /nfs/dbraw/zinc/51/03/00/467510300.db2.gz DRLNKNITFADQOP-FQEVSTJZSA-N 2 2 329.488 2.187 10 0 EEAELP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCN(C2CC2)C1 ZINC000420910115 467510304 /nfs/dbraw/zinc/51/03/04/467510304.db2.gz DRLNKNITFADQOP-FQEVSTJZSA-N 2 2 329.488 2.187 10 0 EEAELP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCN(C2CC2)C1 ZINC000420910115 467510310 /nfs/dbraw/zinc/51/03/10/467510310.db2.gz DRLNKNITFADQOP-FQEVSTJZSA-N 2 2 329.488 2.187 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000449092379 467617470 /nfs/dbraw/zinc/61/74/70/467617470.db2.gz LRJHNQZUCQGDJC-RXVVDRJESA-N 3 2 345.531 2.128 10 0 EEAELP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449391015 467636339 /nfs/dbraw/zinc/63/63/39/467636339.db2.gz HJWLLDIZGNPSRU-NVXWUHKLSA-N 2 2 334.460 2.173 10 0 EEAELP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449391015 467636340 /nfs/dbraw/zinc/63/63/40/467636340.db2.gz HJWLLDIZGNPSRU-NVXWUHKLSA-N 2 2 334.460 2.173 10 0 EEAELP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449392513 467637063 /nfs/dbraw/zinc/63/70/63/467637063.db2.gz KFMISFAGKWSJQN-HOTGVXAUSA-N 2 2 330.476 2.320 10 0 EEAELP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449392513 467637065 /nfs/dbraw/zinc/63/70/65/467637065.db2.gz KFMISFAGKWSJQN-HOTGVXAUSA-N 2 2 330.476 2.320 10 0 EEAELP O[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC1(O)CCC1 ZINC000528492358 467686504 /nfs/dbraw/zinc/68/65/04/467686504.db2.gz KZIXNPUGZZSOMR-NVXWUHKLSA-N 2 2 333.476 2.065 10 0 EEAELP O[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC1(O)CCC1 ZINC000528492358 467686505 /nfs/dbraw/zinc/68/65/05/467686505.db2.gz KZIXNPUGZZSOMR-NVXWUHKLSA-N 2 2 333.476 2.065 10 0 EEAELP CC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[N@@H+]1Cc1ccccc1 ZINC000529033553 467797557 /nfs/dbraw/zinc/79/75/57/467797557.db2.gz LFYDYAQYMWJJQY-SFHVURJKSA-N 2 2 326.444 2.315 10 0 EEAELP CC[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[N@H+]1Cc1ccccc1 ZINC000529033553 467797561 /nfs/dbraw/zinc/79/75/61/467797561.db2.gz LFYDYAQYMWJJQY-SFHVURJKSA-N 2 2 326.444 2.315 10 0 EEAELP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(C)CCCC1 ZINC000490206427 468201369 /nfs/dbraw/zinc/20/13/69/468201369.db2.gz WPLMCECHJYYVMD-UHFFFAOYSA-N 2 2 330.476 2.385 10 0 EEAELP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1(C)CCCC1 ZINC000490206427 468201372 /nfs/dbraw/zinc/20/13/72/468201372.db2.gz WPLMCECHJYYVMD-UHFFFAOYSA-N 2 2 330.476 2.385 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCC(c2ccccc2)=N1 ZINC000591867248 468534804 /nfs/dbraw/zinc/53/48/04/468534804.db2.gz NBIYJVSYNQPNPM-KRWDZBQOSA-N 2 2 337.427 2.157 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCC(c2ccccc2)=N1 ZINC000591867248 468534808 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10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625141020 470083672 /nfs/dbraw/zinc/08/36/72/470083672.db2.gz KUPVPOHFXVJEJE-CYBMUJFWSA-N 2 2 332.370 2.321 10 0 EEAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccncc1 ZINC000631529448 470157640 /nfs/dbraw/zinc/15/76/40/470157640.db2.gz HGFSQVQBERUHEF-QGZVFWFLSA-N 2 2 344.503 2.252 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631700715 470178769 /nfs/dbraw/zinc/17/87/69/470178769.db2.gz JSBRBUFPOSSMEW-PXNSSMCTSA-N 2 2 343.515 2.480 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631700715 470178770 /nfs/dbraw/zinc/17/87/70/470178770.db2.gz JSBRBUFPOSSMEW-PXNSSMCTSA-N 2 2 343.515 2.480 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887083 470189383 /nfs/dbraw/zinc/18/93/83/470189383.db2.gz MDCYIQUNQQWWQN-UHOSZYNNSA-N 2 2 329.488 2.116 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 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/nfs/dbraw/zinc/30/54/60/470305460.db2.gz MEGSIQLGDSOWPQ-KRWDZBQOSA-N 2 2 334.508 2.177 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C2CCOCC2)cc1 ZINC000633619751 470535358 /nfs/dbraw/zinc/53/53/58/470535358.db2.gz WKDORTRISWMKDC-UHFFFAOYSA-N 2 2 347.503 2.194 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C2CCOCC2)cc1 ZINC000633619751 470535362 /nfs/dbraw/zinc/53/53/62/470535362.db2.gz WKDORTRISWMKDC-UHFFFAOYSA-N 2 2 347.503 2.194 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000633678377 470555532 /nfs/dbraw/zinc/55/55/32/470555532.db2.gz FZJJRHUPTNJTBS-XHSDSOJGSA-N 2 2 330.407 2.485 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC[N@H+]1C ZINC000633678377 470555537 /nfs/dbraw/zinc/55/55/37/470555537.db2.gz FZJJRHUPTNJTBS-XHSDSOJGSA-N 2 2 330.407 2.485 10 0 EEAELP COc1ccc(F)c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000646197098 470562690 /nfs/dbraw/zinc/56/26/90/470562690.db2.gz QYWRDODTPSOERB-KRWDZBQOSA-N 2 2 335.467 2.435 10 0 EEAELP COc1ccc(F)c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000646197098 470562693 /nfs/dbraw/zinc/56/26/93/470562693.db2.gz QYWRDODTPSOERB-KRWDZBQOSA-N 2 2 335.467 2.435 10 0 EEAELP COc1ccc(F)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000646197098 470562697 /nfs/dbraw/zinc/56/26/97/470562697.db2.gz QYWRDODTPSOERB-KRWDZBQOSA-N 2 2 335.467 2.435 10 0 EEAELP COc1ccc(F)c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000646197098 470562702 /nfs/dbraw/zinc/56/27/02/470562702.db2.gz QYWRDODTPSOERB-KRWDZBQOSA-N 2 2 335.467 2.435 10 0 EEAELP CC(C)Oc1ccnc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000649571183 470631561 /nfs/dbraw/zinc/63/15/61/470631561.db2.gz BPAJAVOJWRGFLO-FXAWDEMLSA-N 2 2 346.519 2.327 10 0 EEAELP CC(C)Oc1ccnc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000649571183 470631567 /nfs/dbraw/zinc/63/15/67/470631567.db2.gz BPAJAVOJWRGFLO-FXAWDEMLSA-N 2 2 346.519 2.327 10 0 EEAELP C[C@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2(CCC2)CO1 ZINC000649822325 470708153 /nfs/dbraw/zinc/70/81/53/470708153.db2.gz CUBHECFJVCSXNQ-FUHWJXTLSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C2(CCC2)CO1 ZINC000649822325 470708156 /nfs/dbraw/zinc/70/81/56/470708156.db2.gz CUBHECFJVCSXNQ-FUHWJXTLSA-N 2 2 345.487 2.049 10 0 EEAELP CC[N@H+](CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)Cc1ccccc1Cl ZINC000646912179 470773149 /nfs/dbraw/zinc/77/31/49/470773149.db2.gz OSWSAHWNXCZMBF-DOTOQJQBSA-N 2 2 335.879 2.324 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)Cc1ccccc1Cl ZINC000646912179 470773155 /nfs/dbraw/zinc/77/31/55/470773155.db2.gz OSWSAHWNXCZMBF-DOTOQJQBSA-N 2 2 335.879 2.324 10 0 EEAELP CC[NH+](CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)Cc1ccccc1Cl ZINC000646912179 470773158 /nfs/dbraw/zinc/77/31/58/470773158.db2.gz OSWSAHWNXCZMBF-DOTOQJQBSA-N 2 2 335.879 2.324 10 0 EEAELP CC[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21)Cc1ccccc1Cl ZINC000646912179 470773161 /nfs/dbraw/zinc/77/31/61/470773161.db2.gz OSWSAHWNXCZMBF-DOTOQJQBSA-N 2 2 335.879 2.324 10 0 EEAELP COc1ncncc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000648029404 471057024 /nfs/dbraw/zinc/05/70/24/471057024.db2.gz FKWFPFUUBCKBAH-UHFFFAOYSA-N 2 2 327.432 2.398 10 0 EEAELP CCn1c2ccccc2nc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071736 471074749 /nfs/dbraw/zinc/07/47/49/471074749.db2.gz RGGLIFQYAJHORI-UHFFFAOYSA-N 2 2 328.460 2.353 10 0 EEAELP CCn1c2ccccc2nc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071736 471074753 /nfs/dbraw/zinc/07/47/53/471074753.db2.gz RGGLIFQYAJHORI-UHFFFAOYSA-N 2 2 328.460 2.353 10 0 EEAELP COC1CC[NH+](CC[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000644886252 471080739 /nfs/dbraw/zinc/08/07/39/471080739.db2.gz WGGQZEUCJQYDEK-UHFFFAOYSA-N 2 2 328.460 2.288 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(F)cc3ccncc32)CC1 ZINC000651442841 471172915 /nfs/dbraw/zinc/17/29/15/471172915.db2.gz HPOWWEKUBUHQIA-UHFFFAOYSA-N 2 2 344.434 2.130 10 0 EEAELP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000657576353 471173557 /nfs/dbraw/zinc/17/35/57/471173557.db2.gz JREGRKPEPYEVFW-PWIZWCRZSA-N 2 2 347.503 2.202 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000651495045 471188909 /nfs/dbraw/zinc/18/89/09/471188909.db2.gz YRPHITVJUXXQDT-ZBFHGGJFSA-N 2 2 327.432 2.068 10 0 EEAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658054629 471263260 /nfs/dbraw/zinc/26/32/60/471263260.db2.gz FOIMOVALZQWWTE-ZFWWWQNUSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658054629 471263261 /nfs/dbraw/zinc/26/32/61/471263261.db2.gz FOIMOVALZQWWTE-ZFWWWQNUSA-N 2 2 339.505 2.118 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000658340036 471290025 /nfs/dbraw/zinc/29/00/25/471290025.db2.gz AOHJSATZWLNDMO-MOPGFXCFSA-N 2 2 339.487 2.124 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000658340036 471290027 /nfs/dbraw/zinc/29/00/27/471290027.db2.gz AOHJSATZWLNDMO-MOPGFXCFSA-N 2 2 339.487 2.124 10 0 EEAELP Cc1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c(OCC[NH+](C)C)c1 ZINC000669004660 471344450 /nfs/dbraw/zinc/34/44/50/471344450.db2.gz XQKWLHUWGIQAQB-CQSZACIVSA-N 2 2 342.443 2.402 10 0 EEAELP Cc1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c(OCC[NH+](C)C)c1 ZINC000669004660 471344455 /nfs/dbraw/zinc/34/44/55/471344455.db2.gz XQKWLHUWGIQAQB-CQSZACIVSA-N 2 2 342.443 2.402 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000660588734 471406131 /nfs/dbraw/zinc/40/61/31/471406131.db2.gz BQZKRXUWVIEYPY-NSHDSACASA-N 2 2 347.385 2.117 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000660588734 471406137 /nfs/dbraw/zinc/40/61/37/471406137.db2.gz BQZKRXUWVIEYPY-NSHDSACASA-N 2 2 347.385 2.117 10 0 EEAELP [NH3+]C1(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCCCC1 ZINC000669542826 471542964 /nfs/dbraw/zinc/54/29/64/471542964.db2.gz MCGOQUQEVRRTKO-OAHLLOKOSA-N 2 2 331.464 2.011 10 0 EEAELP Cc1ccc2c(c1)[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2 ZINC000664023544 471613707 /nfs/dbraw/zinc/61/37/07/471613707.db2.gz RZBCPSTZMOFCJN-SFHVURJKSA-N 2 2 332.492 2.165 10 0 EEAELP Cc1ccc2c(c1)[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2 ZINC000664023544 471613713 /nfs/dbraw/zinc/61/37/13/471613713.db2.gz RZBCPSTZMOFCJN-SFHVURJKSA-N 2 2 332.492 2.165 10 0 EEAELP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](CO)Cc1ccccc1 ZINC000661094683 471622139 /nfs/dbraw/zinc/62/21/39/471622139.db2.gz GZWZBXGTWQZJOR-SFTDATJTSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H](CO)Cc1ccccc1 ZINC000661094683 471622142 /nfs/dbraw/zinc/62/21/42/471622142.db2.gz GZWZBXGTWQZJOR-SFTDATJTSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661094683 471622149 /nfs/dbraw/zinc/62/21/49/471622149.db2.gz GZWZBXGTWQZJOR-SFTDATJTSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661094683 471622153 /nfs/dbraw/zinc/62/21/53/471622153.db2.gz GZWZBXGTWQZJOR-SFTDATJTSA-N 2 2 342.483 2.015 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000659620143 471700623 /nfs/dbraw/zinc/70/06/23/471700623.db2.gz BJGXIEGPWVWCMR-WMHRWZGDSA-N 2 2 344.503 2.400 10 0 EEAELP C[C@@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1[nH+]ccn1C ZINC000659628798 471705119 /nfs/dbraw/zinc/70/51/19/471705119.db2.gz RXLGNORTEYXCNJ-WQVCFCJDSA-N 2 2 345.422 2.147 10 0 EEAELP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)c2[nH+]ccn2C)o1 ZINC000667256017 471711801 /nfs/dbraw/zinc/71/18/01/471711801.db2.gz BTMACESWFOGSNI-CQSZACIVSA-N 2 2 333.436 2.156 10 0 EEAELP C[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000667257524 471712432 /nfs/dbraw/zinc/71/24/32/471712432.db2.gz ODZZYEUYZBDDCE-AWEZNQCLSA-N 2 2 345.447 2.380 10 0 EEAELP COc1c(C)[nH+]c(C2CC2)nc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664657630 471825392 /nfs/dbraw/zinc/82/53/92/471825392.db2.gz MCSASMFZGDBDLX-OAHLLOKOSA-N 2 2 334.464 2.218 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000660127851 471874092 /nfs/dbraw/zinc/87/40/92/471874092.db2.gz QGLQJWJBTSKXHV-APISQKPESA-N 3 2 348.579 2.207 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000660127851 471874098 /nfs/dbraw/zinc/87/40/98/471874098.db2.gz QGLQJWJBTSKXHV-APISQKPESA-N 3 2 348.579 2.207 10 0 EEAELP C[NH+]1CCC(CNC(=O)NC2CC(C)(C)C2)([NH+]2CCCCC2)CC1 ZINC000662122834 471997542 /nfs/dbraw/zinc/99/75/42/471997542.db2.gz ZYAMXPYVNBOHFI-UHFFFAOYSA-N 2 2 336.524 2.425 10 0 EEAELP Brc1cccc(C2([NH2+]C[C@@H]3C[NH2+]CCO3)CCC2)c1 ZINC000662259318 472046535 /nfs/dbraw/zinc/04/65/35/472046535.db2.gz UYRLOBBASIVHFU-AWEZNQCLSA-N 2 2 325.250 2.406 10 0 EEAELP COc1cccc([C@]2(C)CC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)c1 ZINC000662309697 472065983 /nfs/dbraw/zinc/06/59/83/472065983.db2.gz CGFIOYSXRYSQTP-GOSISDBHSA-N 2 2 330.432 2.436 10 0 EEAELP COc1cccc([C@]2(C)CC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)c1 ZINC000662309697 472065986 /nfs/dbraw/zinc/06/59/86/472065986.db2.gz CGFIOYSXRYSQTP-GOSISDBHSA-N 2 2 330.432 2.436 10 0 EEAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662318751 472067358 /nfs/dbraw/zinc/06/73/58/472067358.db2.gz FZTCEORKUWXEAD-AEFFLSMTSA-N 2 2 333.476 2.365 10 0 EEAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662318751 472067364 /nfs/dbraw/zinc/06/73/64/472067364.db2.gz FZTCEORKUWXEAD-AEFFLSMTSA-N 2 2 333.476 2.365 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](CCOCC(F)(F)C(F)(F)F)CCO1 ZINC000662323240 472071980 /nfs/dbraw/zinc/07/19/80/472071980.db2.gz NBIYUQITQAVLKB-GFCCVEGCSA-N 2 2 348.356 2.243 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCO1 ZINC000662323240 472071985 /nfs/dbraw/zinc/07/19/85/472071985.db2.gz NBIYUQITQAVLKB-GFCCVEGCSA-N 2 2 348.356 2.243 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662800130 472257998 /nfs/dbraw/zinc/25/79/98/472257998.db2.gz ZCHOPAJOOIXOQV-DZGCQCFKSA-N 2 2 325.815 2.222 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662800130 472258006 /nfs/dbraw/zinc/25/80/06/472258006.db2.gz ZCHOPAJOOIXOQV-DZGCQCFKSA-N 2 2 325.815 2.222 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1F ZINC000668798134 472273371 /nfs/dbraw/zinc/27/33/71/472273371.db2.gz IFIKPRLAEKUFSC-CYBMUJFWSA-N 2 2 330.407 2.032 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1F ZINC000668798134 472273378 /nfs/dbraw/zinc/27/33/78/472273378.db2.gz IFIKPRLAEKUFSC-CYBMUJFWSA-N 2 2 330.407 2.032 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(OC)c2F)nc[nH+]1 ZINC000192680617 485520610 /nfs/dbraw/zinc/52/06/10/485520610.db2.gz AMGFXXQYUYUQIB-AWEZNQCLSA-N 2 2 345.422 2.425 10 0 EEAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000679821366 485817178 /nfs/dbraw/zinc/81/71/78/485817178.db2.gz JMACKNLAQZIPQS-OXQOHEQNSA-N 2 2 341.499 2.206 10 0 EEAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000679821366 485817182 /nfs/dbraw/zinc/81/71/82/485817182.db2.gz JMACKNLAQZIPQS-OXQOHEQNSA-N 2 2 341.499 2.206 10 0 EEAELP CS(=O)(=O)CCCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000679953642 485853605 /nfs/dbraw/zinc/85/36/05/485853605.db2.gz URWSNPUXYRUBPL-UHFFFAOYSA-N 2 2 327.494 2.200 10 0 EEAELP CC(C)N1C(=O)C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1(C)C ZINC000678271403 486607589 /nfs/dbraw/zinc/60/75/89/486607589.db2.gz OPTAAKNLMPIGQN-UHFFFAOYSA-N 2 2 347.503 2.458 10 0 EEAELP CC(C)N1C(=O)C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1(C)C ZINC000678271403 486607593 /nfs/dbraw/zinc/60/75/93/486607593.db2.gz OPTAAKNLMPIGQN-UHFFFAOYSA-N 2 2 347.503 2.458 10 0 EEAELP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447940665 535115337 /nfs/dbraw/zinc/11/53/37/535115337.db2.gz ISBSFCPVMHULIK-IBGZPJMESA-N 2 2 328.460 2.319 10 0 EEAELP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447940665 535115343 /nfs/dbraw/zinc/11/53/43/535115343.db2.gz ISBSFCPVMHULIK-IBGZPJMESA-N 2 2 328.460 2.319 10 0 EEAELP C[C@H](CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[S@@](C)=O ZINC000773062193 577313419 /nfs/dbraw/zinc/31/34/19/577313419.db2.gz BACXOQLUKXLOHA-IQMFZBJNSA-N 2 2 337.533 2.468 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1nnc2n1CCCCC2 ZINC000763021142 577712773 /nfs/dbraw/zinc/71/27/73/577712773.db2.gz NNNFHGARLUJNGA-CQSZACIVSA-N 2 2 337.431 2.436 10 0 EEAELP CCCCNC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741873480 578203373 /nfs/dbraw/zinc/20/33/73/578203373.db2.gz DTWBUZMOBWDSHF-UHFFFAOYSA-N 2 2 326.554 2.201 10 0 EEAELP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000899810857 693876930 /nfs/dbraw/zinc/87/69/30/693876930.db2.gz RZXMOWJNLAFIRZ-HNNXBMFYSA-N 2 2 348.410 2.013 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@H]2CC(C)(C)CO2)CC1 ZINC000895802808 684730887 /nfs/dbraw/zinc/73/08/87/684730887.db2.gz QCLNTUUTKRZLRJ-INIZCTEOSA-N 2 2 326.481 2.199 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001485656142 1191874281 /nfs/dbraw/zinc/87/42/81/1191874281.db2.gz CBJFSEHIQDXPON-MHBWLJGSSA-N 2 2 330.476 2.456 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@H]2C1 ZINC001485656142 1191874284 /nfs/dbraw/zinc/87/42/84/1191874284.db2.gz CBJFSEHIQDXPON-MHBWLJGSSA-N 2 2 330.476 2.456 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](C[NH2+]CC[C@@H](C)F)C3)ccn12 ZINC001485683338 1191895990 /nfs/dbraw/zinc/89/59/90/1191895990.db2.gz NMKKYSHYGJBPBT-XNRPHZJLSA-N 2 2 332.423 2.489 10 0 EEAELP C[N@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CCC(C)(C)C ZINC001480866414 1176142635 /nfs/dbraw/zinc/14/26/35/1176142635.db2.gz BPBAQRFSDGIRDF-INIZCTEOSA-N 2 2 335.496 2.274 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CCC(C)(C)C ZINC001480866414 1176142640 /nfs/dbraw/zinc/14/26/40/1176142640.db2.gz BPBAQRFSDGIRDF-INIZCTEOSA-N 2 2 335.496 2.274 10 0 EEAELP C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)CCC(C)(C)C ZINC001480866414 1176142642 /nfs/dbraw/zinc/14/26/42/1176142642.db2.gz BPBAQRFSDGIRDF-INIZCTEOSA-N 2 2 335.496 2.274 10 0 EEAELP C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)CCC(C)(C)C ZINC001480866414 1176142646 /nfs/dbraw/zinc/14/26/46/1176142646.db2.gz BPBAQRFSDGIRDF-INIZCTEOSA-N 2 2 335.496 2.274 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691235816 1177753929 /nfs/dbraw/zinc/75/39/29/1177753929.db2.gz OCKABWMFIMHAKN-GVDBMIGSSA-N 2 2 330.476 2.286 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c(C)o1 ZINC001267777413 1180508902 /nfs/dbraw/zinc/50/89/02/1180508902.db2.gz QWSXWOAMUIFYPP-MRXNPFEDSA-N 2 2 336.480 2.056 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c(C)o1 ZINC001267777413 1180508906 /nfs/dbraw/zinc/50/89/06/1180508906.db2.gz QWSXWOAMUIFYPP-MRXNPFEDSA-N 2 2 336.480 2.056 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2ccc(Cl)cc21)C(=O)Cc1c[nH+]c[nH]1 ZINC001481284992 1180840573 /nfs/dbraw/zinc/84/05/73/1180840573.db2.gz OFGIAECQGZQFMT-INIZCTEOSA-N 2 2 332.835 2.341 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccccc1OC(C)C ZINC001481307759 1180987275 /nfs/dbraw/zinc/98/72/75/1180987275.db2.gz CEJMXTXRVMTOII-UHFFFAOYSA-N 2 2 344.459 2.296 10 0 EEAELP Cc1cc(C[N@@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C(C)C)sn1 ZINC001481356287 1181111226 /nfs/dbraw/zinc/11/12/26/1181111226.db2.gz MTWPDYUUXCKWQI-UHFFFAOYSA-N 2 2 335.477 2.134 10 0 EEAELP Cc1cc(C[N@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C(C)C)sn1 ZINC001481356287 1181111228 /nfs/dbraw/zinc/11/12/28/1181111228.db2.gz MTWPDYUUXCKWQI-UHFFFAOYSA-N 2 2 335.477 2.134 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481449691 1181377287 /nfs/dbraw/zinc/37/72/87/1181377287.db2.gz GSOMNOOLURTLLC-GDBMZVCRSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481449691 1181377291 /nfs/dbraw/zinc/37/72/91/1181377291.db2.gz GSOMNOOLURTLLC-GDBMZVCRSA-N 2 2 345.447 2.159 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268075755 1181675249 /nfs/dbraw/zinc/67/52/49/1181675249.db2.gz MRBPKYWEBWWHNJ-HNNXBMFYSA-N 2 2 346.450 2.171 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]Cc1ccns1 ZINC001268157139 1181859613 /nfs/dbraw/zinc/85/96/13/1181859613.db2.gz PPZRTRBEVTXVBT-OAHLLOKOSA-N 2 2 347.488 2.291 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001268169860 1181934563 /nfs/dbraw/zinc/93/45/63/1181934563.db2.gz DOEPXANARJOYSS-HUUCEWRRSA-N 2 2 337.439 2.209 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CCc2c[nH+]cn2C)cc1F ZINC001268422161 1182588237 /nfs/dbraw/zinc/58/82/37/1182588237.db2.gz YHEYGCJXGQVCAP-HNNXBMFYSA-N 2 2 346.450 2.485 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001481826854 1182756288 /nfs/dbraw/zinc/75/62/88/1182756288.db2.gz UZSGWXLCNNWWSD-DOTOQJQBSA-N 2 2 344.434 2.269 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C\Cl)CCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001481899648 1182912730 /nfs/dbraw/zinc/91/27/30/1182912730.db2.gz CIXNMIAMUSZAHT-UMSKNGNOSA-N 2 2 336.867 2.217 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481991070 1183097236 /nfs/dbraw/zinc/09/72/36/1183097236.db2.gz JGFOUOWMXJXZCK-KRWDZBQOSA-N 2 2 341.459 2.005 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]Cc3conc3C)ccn12 ZINC001268538491 1183199830 /nfs/dbraw/zinc/19/98/30/1183199830.db2.gz KIIPFZMOVFBKPE-ONEGZZNKSA-N 2 2 339.399 2.015 10 0 EEAELP COc1cc(C[NH2+]C/C=C\CNC(=O)Cc2c[nH]c[nH+]2)ccc1Cl ZINC001268596244 1183443875 /nfs/dbraw/zinc/44/38/75/1183443875.db2.gz IEFYXKOUVQVQPM-IHWYPQMZSA-N 2 2 348.834 2.076 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001269084246 1183947186 /nfs/dbraw/zinc/94/71/86/1183947186.db2.gz RSIVBKWBGFVNGX-INIZCTEOSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001269084246 1183947194 /nfs/dbraw/zinc/94/71/94/1183947194.db2.gz RSIVBKWBGFVNGX-INIZCTEOSA-N 2 2 339.430 2.387 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)s1 ZINC001482461121 1185926698 /nfs/dbraw/zinc/92/66/98/1185926698.db2.gz NFFAMPKJKNDRIG-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1C[NH2+]CCOC1CCC1 ZINC001482490316 1186241747 /nfs/dbraw/zinc/24/17/47/1186241747.db2.gz BWUKOJRTMTVHCN-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]Cc1ccon1 ZINC001271619845 1186339050 /nfs/dbraw/zinc/33/90/50/1186339050.db2.gz XIVGVKXZFWWHAD-KRWDZBQOSA-N 2 2 345.447 2.212 10 0 EEAELP CC(C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCOC1CCC1 ZINC001271869807 1186565684 /nfs/dbraw/zinc/56/56/84/1186565684.db2.gz RFABGUNUZAZSKL-INIZCTEOSA-N 2 2 344.459 2.247 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]Cc3conc3C)ccn12 ZINC001272780559 1193495298 /nfs/dbraw/zinc/49/52/98/1193495298.db2.gz AFHYUOWCJQHENT-LBPRGKRZSA-N 2 2 341.415 2.237 10 0 EEAELP C[C@@H](CC[NH2+]CCC[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482848022 1187766540 /nfs/dbraw/zinc/76/65/40/1187766540.db2.gz WEGCRZQCBUEMFZ-GJZGRUSLSA-N 2 2 344.459 2.478 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482951461 1187891881 /nfs/dbraw/zinc/89/18/81/1187891881.db2.gz LLIBFIIIWCVHOC-QZTJIDSGSA-N 2 2 340.471 2.204 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C\C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001483039225 1188084825 /nfs/dbraw/zinc/08/48/25/1188084825.db2.gz ZYYWTHUYKWCSQT-UQOGOVOESA-N 2 2 330.476 2.051 10 0 EEAELP CO[C@@H](C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001691556573 1188261928 /nfs/dbraw/zinc/26/19/28/1188261928.db2.gz VJOOCOHQBBLYRE-INIZCTEOSA-N 2 2 344.459 2.123 10 0 EEAELP C[C@@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1)c1ccc2c(c1)CCC2 ZINC001483064472 1188385369 /nfs/dbraw/zinc/38/53/69/1188385369.db2.gz KCENVEIGOAZVKR-XYBNCVKDSA-N 2 2 338.455 2.464 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F ZINC001483079814 1188441283 /nfs/dbraw/zinc/44/12/83/1188441283.db2.gz ZEVMPJKWLGVQQX-XGBNDESESA-N 2 2 328.391 2.041 10 0 EEAELP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001483086306 1188449479 /nfs/dbraw/zinc/44/94/79/1188449479.db2.gz JJFLQUQRVGCSFV-URWSZGRFSA-N 2 2 344.912 2.145 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1cc(C)cc(C)c1 ZINC001483089542 1188453635 /nfs/dbraw/zinc/45/36/35/1188453635.db2.gz WVKWXBOGPSEKOB-SNAWJCMRSA-N 2 2 326.444 2.340 10 0 EEAELP CO[C@@H](C)C[NH2+]CC1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001409270771 1188484275 /nfs/dbraw/zinc/48/42/75/1188484275.db2.gz AMVDBPQNFVHKKX-UQPPLGOBSA-N 2 2 342.443 2.005 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272866274 1193583633 /nfs/dbraw/zinc/58/36/33/1193583633.db2.gz ULZRTPGJAZBBNB-ZFWWWQNUSA-N 2 2 330.432 2.230 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCc1cccs1 ZINC001485895392 1193633151 /nfs/dbraw/zinc/63/31/51/1193633151.db2.gz RRZNVVGNQOLQJI-GJZGRUSLSA-N 2 2 346.500 2.186 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1nsc2ccccc12 ZINC001409503612 1189898542 /nfs/dbraw/zinc/89/85/42/1189898542.db2.gz JGRJXZDTJMJAFT-CJNGLKHVSA-N 2 2 346.500 2.327 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1nsc2ccccc12 ZINC001409503612 1189898547 /nfs/dbraw/zinc/89/85/47/1189898547.db2.gz JGRJXZDTJMJAFT-CJNGLKHVSA-N 2 2 346.500 2.327 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1nsc2ccccc12 ZINC001409503612 1189898552 /nfs/dbraw/zinc/89/85/52/1189898552.db2.gz JGRJXZDTJMJAFT-CJNGLKHVSA-N 2 2 346.500 2.327 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1nsc2ccccc12 ZINC001409503612 1189898557 /nfs/dbraw/zinc/89/85/57/1189898557.db2.gz JGRJXZDTJMJAFT-CJNGLKHVSA-N 2 2 346.500 2.327 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC/C=C/c1ccccc1 ZINC001485937797 1193651917 /nfs/dbraw/zinc/65/19/17/1193651917.db2.gz JKYOBOUVHUDEJC-VGZDNEPHSA-N 2 2 326.444 2.492 10 0 EEAELP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC(F)(F)F)CC2 ZINC001409632995 1190133047 /nfs/dbraw/zinc/13/30/47/1190133047.db2.gz SRUINDTZQIJOCJ-WCQYABFASA-N 2 2 346.397 2.143 10 0 EEAELP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCC(F)(F)F)CC2 ZINC001409632995 1190133048 /nfs/dbraw/zinc/13/30/48/1190133048.db2.gz SRUINDTZQIJOCJ-WCQYABFASA-N 2 2 346.397 2.143 10 0 EEAELP COC[C@@H](C)[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001409772132 1190267089 /nfs/dbraw/zinc/26/70/89/1190267089.db2.gz CKEYWOBYMJTSKA-HZPDHXFCSA-N 2 2 336.480 2.278 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1F ZINC001483273260 1190298738 /nfs/dbraw/zinc/29/87/38/1190298738.db2.gz CHKWBIOCRGZQEA-OLZOCXBDSA-N 2 2 348.422 2.031 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1F ZINC001483273260 1190298743 /nfs/dbraw/zinc/29/87/43/1190298743.db2.gz CHKWBIOCRGZQEA-OLZOCXBDSA-N 2 2 348.422 2.031 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)no1 ZINC001483339100 1190369620 /nfs/dbraw/zinc/36/96/20/1190369620.db2.gz CMCBJFQCOXWSDY-GJZGRUSLSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)no1 ZINC001483339100 1190369624 /nfs/dbraw/zinc/36/96/24/1190369624.db2.gz CMCBJFQCOXWSDY-GJZGRUSLSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCC[NH+]2C2CCCC2)on1 ZINC001483346962 1190381555 /nfs/dbraw/zinc/38/15/55/1190381555.db2.gz GWWQFLKMNOSKAK-CRAIPNDOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCC[NH+]2C2CCCC2)on1 ZINC001483346962 1190381560 /nfs/dbraw/zinc/38/15/60/1190381560.db2.gz GWWQFLKMNOSKAK-CRAIPNDOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001483346962 1190381564 /nfs/dbraw/zinc/38/15/64/1190381564.db2.gz GWWQFLKMNOSKAK-CRAIPNDOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)on1 ZINC001483346962 1190381570 /nfs/dbraw/zinc/38/15/70/1190381570.db2.gz GWWQFLKMNOSKAK-CRAIPNDOSA-N 2 2 348.491 2.327 10 0 EEAELP CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483477152 1190498891 /nfs/dbraw/zinc/49/88/91/1190498891.db2.gz QPLCADBSLXKUDL-INIZCTEOSA-N 2 2 332.492 2.320 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001483590502 1190577288 /nfs/dbraw/zinc/57/72/88/1190577288.db2.gz PNYKKKPETKJTFW-KRWDZBQOSA-N 2 2 346.862 2.333 10 0 EEAELP CC1CC(C[N@@H+]2CC[C@@]3(NC(=O)CCn4cc[nH+]c4)CCC[C@@H]23)C1 ZINC001486145328 1193697117 /nfs/dbraw/zinc/69/71/17/1193697117.db2.gz DFROZFRQFCGWLA-WXVPWVKJSA-N 2 2 330.476 2.433 10 0 EEAELP CC1CC(C[N@H+]2CC[C@@]3(NC(=O)CCn4cc[nH+]c4)CCC[C@@H]23)C1 ZINC001486145328 1193697118 /nfs/dbraw/zinc/69/71/18/1193697118.db2.gz DFROZFRQFCGWLA-WXVPWVKJSA-N 2 2 330.476 2.433 10 0 EEAELP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001483703454 1190778003 /nfs/dbraw/zinc/77/80/03/1190778003.db2.gz WYFYSNYBUISFDJ-GOSISDBHSA-N 2 2 344.503 2.300 10 0 EEAELP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001483703454 1190778005 /nfs/dbraw/zinc/77/80/05/1190778005.db2.gz WYFYSNYBUISFDJ-GOSISDBHSA-N 2 2 344.503 2.300 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](CC[NH2+]Cc2ccon2)C1 ZINC001272475288 1190840751 /nfs/dbraw/zinc/84/07/51/1190840751.db2.gz OBWIHIQKGDOHJH-CYBMUJFWSA-N 2 2 339.399 2.193 10 0 EEAELP COCCC[NH2+]CC[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001272503814 1190855809 /nfs/dbraw/zinc/85/58/09/1190855809.db2.gz VFKRVNRAEZHQKP-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001272598214 1190913470 /nfs/dbraw/zinc/91/34/70/1190913470.db2.gz BDBPFXAFXFOLAJ-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001483952205 1191129654 /nfs/dbraw/zinc/12/96/54/1191129654.db2.gz HAPBZNVGLATHKY-YXOJNZSOSA-N 2 2 338.455 2.257 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOC(C)C)C2 ZINC001484321120 1191303646 /nfs/dbraw/zinc/30/36/46/1191303646.db2.gz CQJOYAXEAHSUHK-BBWFWOEESA-N 2 2 348.491 2.045 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOC(C)C)C2 ZINC001484321120 1191303648 /nfs/dbraw/zinc/30/36/48/1191303648.db2.gz CQJOYAXEAHSUHK-BBWFWOEESA-N 2 2 348.491 2.045 10 0 EEAELP CC(C)(C(=O)N1CC[C@H](CC[NH2+]Cc2cncs2)C1)c1c[nH+]c[nH]1 ZINC001484548808 1191409083 /nfs/dbraw/zinc/40/90/83/1191409083.db2.gz ZFHJAUNCZOBYKJ-ZDUSSCGKSA-N 2 2 347.488 2.172 10 0 EEAELP CN(CCC[N@H+](C)C/C=C/c1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001484769957 1191513141 /nfs/dbraw/zinc/51/31/41/1191513141.db2.gz RYMQAEYDCIIDLI-UXBLZVDNSA-N 2 2 326.444 2.377 10 0 EEAELP CN(CCC[N@@H+](C)C/C=C/c1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001484769957 1191513143 /nfs/dbraw/zinc/51/31/43/1191513143.db2.gz RYMQAEYDCIIDLI-UXBLZVDNSA-N 2 2 326.444 2.377 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484772662 1191515161 /nfs/dbraw/zinc/51/51/61/1191515161.db2.gz YRYXWVRRMLXUAP-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484772662 1191515162 /nfs/dbraw/zinc/51/51/62/1191515162.db2.gz YRYXWVRRMLXUAP-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C)cs1 ZINC001484988174 1191604233 /nfs/dbraw/zinc/60/42/33/1191604233.db2.gz QWKLEBWSKOLWJM-UKRRQHHQSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)cs1 ZINC001484988174 1191604234 /nfs/dbraw/zinc/60/42/34/1191604234.db2.gz QWKLEBWSKOLWJM-UKRRQHHQSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)cs1 ZINC001484988174 1191604237 /nfs/dbraw/zinc/60/42/37/1191604237.db2.gz QWKLEBWSKOLWJM-UKRRQHHQSA-N 2 2 338.521 2.261 10 0 EEAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001485231105 1191699740 /nfs/dbraw/zinc/69/97/40/1191699740.db2.gz CBDSIEFNOLNZOI-LSDHHAIUSA-N 2 2 332.423 2.485 10 0 EEAELP Cc1ccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001485259765 1191708583 /nfs/dbraw/zinc/70/85/83/1191708583.db2.gz AZOLRHCLUANBDX-UHFFFAOYSA-N 2 2 343.475 2.238 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCCC[N@H+]1CCF ZINC001485477844 1191805253 /nfs/dbraw/zinc/80/52/53/1191805253.db2.gz YTBGZVRIIUGIKD-MRXNPFEDSA-N 2 2 336.455 2.092 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CCCCC[N@@H+]1CCF ZINC001485477844 1191805255 /nfs/dbraw/zinc/80/52/55/1191805255.db2.gz YTBGZVRIIUGIKD-MRXNPFEDSA-N 2 2 336.455 2.092 10 0 EEAELP Cc1cnc(C[N@@H+]2CCCCC[C@H]2CNC(=O)Cn2c[nH+]cc2C)o1 ZINC001485480170 1191807643 /nfs/dbraw/zinc/80/76/43/1191807643.db2.gz LQKAAYVXPNWOQB-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1cnc(C[N@H+]2CCCCC[C@H]2CNC(=O)Cn2c[nH+]cc2C)o1 ZINC001485480170 1191807645 /nfs/dbraw/zinc/80/76/45/1191807645.db2.gz LQKAAYVXPNWOQB-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001486250216 1193777209 /nfs/dbraw/zinc/77/72/09/1193777209.db2.gz PGCJKSYEKKEAJN-OTIVFRFGSA-N 2 2 338.455 2.423 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)CCn1cc[nH+]c1 ZINC001272943144 1193892921 /nfs/dbraw/zinc/89/29/21/1193892921.db2.gz GSXVAFWPBLDRJJ-NSHDSACASA-N 2 2 341.868 2.068 10 0 EEAELP Cc1cc(C[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C)sn1 ZINC001486380596 1193893509 /nfs/dbraw/zinc/89/35/09/1193893509.db2.gz MIAUKQVUBDOWGN-UHFFFAOYSA-N 2 2 340.537 2.461 10 0 EEAELP Cc1cc(C[N@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C)sn1 ZINC001486380596 1193893513 /nfs/dbraw/zinc/89/35/13/1193893513.db2.gz MIAUKQVUBDOWGN-UHFFFAOYSA-N 2 2 340.537 2.461 10 0 EEAELP Cc1cc(C[NH+](C)CCN(C(=O)C[N@H+](C)C(C)C)C(C)C)sn1 ZINC001486380596 1193893516 /nfs/dbraw/zinc/89/35/16/1193893516.db2.gz MIAUKQVUBDOWGN-UHFFFAOYSA-N 2 2 340.537 2.461 10 0 EEAELP Cc1cc(C[NH+](C)CCN(C(=O)C[N@@H+](C)C(C)C)C(C)C)sn1 ZINC001486380596 1193893518 /nfs/dbraw/zinc/89/35/18/1193893518.db2.gz MIAUKQVUBDOWGN-UHFFFAOYSA-N 2 2 340.537 2.461 10 0 EEAELP Cc1cc(C[N@H+]2CC=C(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)no1 ZINC001486520411 1194042790 /nfs/dbraw/zinc/04/27/90/1194042790.db2.gz CBVQACRDDOKCMB-GJZGRUSLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)no1 ZINC001486520411 1194042792 /nfs/dbraw/zinc/04/27/92/1194042792.db2.gz CBVQACRDDOKCMB-GJZGRUSLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001273205229 1197531529 /nfs/dbraw/zinc/53/15/29/1197531529.db2.gz WSRWYGZJNJKMDY-RDTXWAMCSA-N 2 2 344.459 2.270 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001410230586 1197620642 /nfs/dbraw/zinc/62/06/42/1197620642.db2.gz VVMBVSUHJARSLQ-ZJVKMVHNSA-N 2 2 331.247 2.064 10 0 EEAELP CC(C)[NH2+][C@H](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001410256698 1197640556 /nfs/dbraw/zinc/64/05/56/1197640556.db2.gz YPMJDBWGHZTMGY-PBHICJAKSA-N 2 2 335.496 2.319 10 0 EEAELP CC(C)[NH2+][C@H](CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001410256698 1197640559 /nfs/dbraw/zinc/64/05/59/1197640559.db2.gz YPMJDBWGHZTMGY-PBHICJAKSA-N 2 2 335.496 2.319 10 0 EEAELP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000871360591 1197699412 /nfs/dbraw/zinc/69/94/12/1197699412.db2.gz UNGZMLIMHKDYOZ-RMXPPQQLSA-N 2 2 337.508 2.009 10 0 EEAELP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000871360591 1197699416 /nfs/dbraw/zinc/69/94/16/1197699416.db2.gz UNGZMLIMHKDYOZ-RMXPPQQLSA-N 2 2 337.508 2.009 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001410439694 1197901300 /nfs/dbraw/zinc/90/13/00/1197901300.db2.gz BGRBJDJCPHGGQA-NEPJUHHUSA-N 2 2 349.504 2.298 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001410439694 1197901307 /nfs/dbraw/zinc/90/13/07/1197901307.db2.gz BGRBJDJCPHGGQA-NEPJUHHUSA-N 2 2 349.504 2.298 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001410543489 1198104176 /nfs/dbraw/zinc/10/41/76/1198104176.db2.gz RWUUIHQIFPSHTC-UONOGXRCSA-N 2 2 328.407 2.145 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c(-c2ccnn2C)c1 ZINC000865659992 1198321452 /nfs/dbraw/zinc/32/14/52/1198321452.db2.gz PKJFSAXYYIEICU-KRWDZBQOSA-N 2 2 342.487 2.330 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c(-c2ccnn2C)c1 ZINC000865659992 1198321461 /nfs/dbraw/zinc/32/14/61/1198321461.db2.gz PKJFSAXYYIEICU-KRWDZBQOSA-N 2 2 342.487 2.330 10 0 EEAELP COc1cccc2c(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc[nH+]c12 ZINC000866012165 1198454277 /nfs/dbraw/zinc/45/42/77/1198454277.db2.gz SFTWCZLKYFKVDM-HZPDHXFCSA-N 3 2 342.487 2.419 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1CC([NH2+]Cc2ccsc2)C1 ZINC001411252264 1198975766 /nfs/dbraw/zinc/97/57/66/1198975766.db2.gz KDLKTWDQZJRJBQ-UHFFFAOYSA-N 2 2 332.473 2.193 10 0 EEAELP C/C(=C\c1ccncc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870665022 1200799902 /nfs/dbraw/zinc/79/99/02/1200799902.db2.gz ICGZYJPIPSWQDB-FYWRMAATSA-N 2 2 337.427 2.270 10 0 EEAELP C[NH+](C)C1(C)CCC(Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000866148860 1201446881 /nfs/dbraw/zinc/44/68/81/1201446881.db2.gz XORHAPNWYIVHRN-MDCZIUGASA-N 2 2 347.507 2.360 10 0 EEAELP C[NH+](C)C1(C)CCC(Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000866148860 1201446885 /nfs/dbraw/zinc/44/68/85/1201446885.db2.gz XORHAPNWYIVHRN-MDCZIUGASA-N 2 2 347.507 2.360 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000866449183 1201520161 /nfs/dbraw/zinc/52/01/61/1201520161.db2.gz ZFEQABVPRGKRQD-AVPYEELCSA-N 2 2 327.472 2.305 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000866449183 1201520164 /nfs/dbraw/zinc/52/01/64/1201520164.db2.gz ZFEQABVPRGKRQD-AVPYEELCSA-N 2 2 327.472 2.305 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCCC3CC3)CC2)CC1 ZINC000868212554 1201765714 /nfs/dbraw/zinc/76/57/14/1201765714.db2.gz VYFOPUJQMYUKSZ-UHFFFAOYSA-N 2 2 336.524 2.425 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]CCOC1CCC1 ZINC001691732132 1204238766 /nfs/dbraw/zinc/23/87/66/1204238766.db2.gz JHQKBCFJYHMZAA-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(NCC=CC[NH2+]CC[C@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001274125598 1204389603 /nfs/dbraw/zinc/38/96/03/1204389603.db2.gz RYIDVTJVJBRAII-RXYHWBRQSA-N 2 2 342.443 2.398 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001274510644 1205062751 /nfs/dbraw/zinc/06/27/51/1205062751.db2.gz MJPQQSGATSLSAJ-IYKSTZQJSA-N 2 2 348.491 2.076 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)NC/C=C\C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001274510644 1205062752 /nfs/dbraw/zinc/06/27/52/1205062752.db2.gz MJPQQSGATSLSAJ-IYKSTZQJSA-N 2 2 348.491 2.076 10 0 EEAELP CN(CCC[NH2+]Cc1ccc2c(c1)COC2)C(=O)CCc1c[nH]c[nH+]1 ZINC001276040328 1205744586 /nfs/dbraw/zinc/74/45/86/1205744586.db2.gz BKJKHPZROUZAQP-UHFFFAOYSA-N 2 2 342.443 2.011 10 0 EEAELP CN(CCC[NH2+]Cc1ccc2c(c1)COC2)C(=O)CCc1c[nH+]c[nH]1 ZINC001276040328 1205744588 /nfs/dbraw/zinc/74/45/88/1205744588.db2.gz BKJKHPZROUZAQP-UHFFFAOYSA-N 2 2 342.443 2.011 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001276245454 1205852114 /nfs/dbraw/zinc/85/21/14/1205852114.db2.gz KQIXXDXXBICTPR-UHFFFAOYSA-N 2 2 326.444 2.468 10 0 EEAELP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924688236 1206018598 /nfs/dbraw/zinc/01/85/98/1206018598.db2.gz FDQZDKFHBMQQNB-INIZCTEOSA-N 2 2 341.459 2.297 10 0 EEAELP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925322004 1206096383 /nfs/dbraw/zinc/09/63/83/1206096383.db2.gz UFZQHPNYXJWSAT-MSOLQXFVSA-N 2 2 331.460 2.032 10 0 EEAELP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925322004 1206096386 /nfs/dbraw/zinc/09/63/86/1206096386.db2.gz UFZQHPNYXJWSAT-MSOLQXFVSA-N 2 2 331.460 2.032 10 0 EEAELP Cn1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(Br)n1 ZINC000925806909 1206155787 /nfs/dbraw/zinc/15/57/87/1206155787.db2.gz SBJKVCPTYXZYQO-KGLIPLIRSA-N 2 2 341.297 2.441 10 0 EEAELP CC(C)C[C@@H](C)n1nccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926092316 1206190597 /nfs/dbraw/zinc/19/05/97/1206190597.db2.gz YCCBBYOWVQJYHU-CQSZACIVSA-N 2 2 336.484 2.035 10 0 EEAELP COC(=O)/C=C\c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)o1 ZINC000827857230 1248834034 /nfs/dbraw/zinc/83/40/34/1248834034.db2.gz ZBSYTGLTVMCVRL-QWGSZXSUSA-N 2 2 336.432 2.008 10 0 EEAELP COC(=O)/C=C\c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)o1 ZINC000827857230 1248834044 /nfs/dbraw/zinc/83/40/44/1248834044.db2.gz ZBSYTGLTVMCVRL-QWGSZXSUSA-N 2 2 336.432 2.008 10 0 EEAELP CC1(C)C[N@H+](CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCO1 ZINC000900484351 1234405497 /nfs/dbraw/zinc/40/54/97/1234405497.db2.gz PMDBXJNWBUISFL-UHFFFAOYSA-N 2 2 344.459 2.131 10 0 EEAELP CC1(C)C[N@@H+](CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCO1 ZINC000900484351 1234405498 /nfs/dbraw/zinc/40/54/98/1234405498.db2.gz PMDBXJNWBUISFL-UHFFFAOYSA-N 2 2 344.459 2.131 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC000900693622 1234668948 /nfs/dbraw/zinc/66/89/48/1234668948.db2.gz YRHZINHOPNLKKV-QGZVFWFLSA-N 2 2 339.524 2.066 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC000900693622 1234668951 /nfs/dbraw/zinc/66/89/51/1234668951.db2.gz YRHZINHOPNLKKV-QGZVFWFLSA-N 2 2 339.524 2.066 10 0 EEAELP CC[N@@H+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000901198522 1235369500 /nfs/dbraw/zinc/36/95/00/1235369500.db2.gz GYCINXVMHPAHKH-INIZCTEOSA-N 2 2 341.459 2.161 10 0 EEAELP CC[N@H+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C[C@@H]1C ZINC000901198522 1235369501 /nfs/dbraw/zinc/36/95/01/1235369501.db2.gz GYCINXVMHPAHKH-INIZCTEOSA-N 2 2 341.459 2.161 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)OC[C@@H]1C[NH+](C(C)C)CCO1)c1ccccc1 ZINC000802138831 1236980369 /nfs/dbraw/zinc/98/03/69/1236980369.db2.gz PVFHALNLOJENGE-ROUUACIJSA-N 2 2 334.460 2.332 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)OC[C@@H]1C[NH+](C(C)C)CCO1)c1ccccc1 ZINC000802138831 1236980374 /nfs/dbraw/zinc/98/03/74/1236980374.db2.gz PVFHALNLOJENGE-ROUUACIJSA-N 2 2 334.460 2.332 10 0 EEAELP CC[NH+](C)[C@H](C(=O)OC[C@@H]1C[N@@H+](C(C)C)CCO1)c1ccccc1 ZINC000802138831 1236980376 /nfs/dbraw/zinc/98/03/76/1236980376.db2.gz PVFHALNLOJENGE-ROUUACIJSA-N 2 2 334.460 2.332 10 0 EEAELP CC[NH+](C)[C@H](C(=O)OC[C@@H]1C[N@H+](C(C)C)CCO1)c1ccccc1 ZINC000802138831 1236980379 /nfs/dbraw/zinc/98/03/79/1236980379.db2.gz PVFHALNLOJENGE-ROUUACIJSA-N 2 2 334.460 2.332 10 0 EEAELP O=C(CC[NH2+]C1C[C@H]2CCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000902783160 1238520875 /nfs/dbraw/zinc/52/08/75/1238520875.db2.gz AHJHTNBFSJOABK-IAGOWNOFSA-N 2 2 342.487 2.289 10 0 EEAELP CC[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCOCC1 ZINC000902835613 1238659702 /nfs/dbraw/zinc/65/97/02/1238659702.db2.gz LIZALTDDLMTGFW-CRAIPNDOSA-N 2 2 342.443 2.160 10 0 EEAELP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1C[NH2+]C[C@H]1C ZINC000903967765 1242777765 /nfs/dbraw/zinc/77/77/65/1242777765.db2.gz NPOICRVSNNJSRH-YPMHNXCESA-N 2 2 330.881 2.079 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001491076598 1258642867 /nfs/dbraw/zinc/64/28/67/1258642867.db2.gz WLPIQHHSJSBLPH-XYPHTWIQSA-N 2 2 344.434 2.490 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1)c1ccc(F)cc1 ZINC001491076596 1258642980 /nfs/dbraw/zinc/64/29/80/1258642980.db2.gz WLPIQHHSJSBLPH-RRQGHBQHSA-N 2 2 344.434 2.490 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(Cl)c1 ZINC001491508857 1259153126 /nfs/dbraw/zinc/15/31/26/1259153126.db2.gz YIBDQZCJOWREFT-UKRRQHHQSA-N 2 2 346.862 2.393 10 0 EEAELP CCN(CC[NH2+]Cc1c(F)cccc1F)C(=O)CCn1cc[nH+]c1 ZINC001273534037 1279391111 /nfs/dbraw/zinc/39/11/11/1279391111.db2.gz UKQMCPMHDWLKLR-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001273628539 1281720184 /nfs/dbraw/zinc/72/01/84/1281720184.db2.gz KMWBMRUCMXPQSU-OAHLLOKOSA-N 2 2 329.448 2.176 10 0 EEAELP CCO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)C[NH+](C)C ZINC000926967123 1296973449 /nfs/dbraw/zinc/97/34/49/1296973449.db2.gz ZZMLURNYJGZCDJ-QAPCUYQASA-N 2 2 333.476 2.431 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](Cc2cncs2)CC1 ZINC001490623590 1291535053 /nfs/dbraw/zinc/53/50/53/1291535053.db2.gz QPESLWMFWGZVFH-UHFFFAOYSA-N 2 2 347.488 2.243 10 0 EEAELP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnns3)C2)ccn1 ZINC000856605745 1293579991 /nfs/dbraw/zinc/57/99/91/1293579991.db2.gz YNUKFPASRHHUGN-MRXNPFEDSA-N 2 2 347.488 2.427 10 0 EEAELP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnns3)C2)ccn1 ZINC000856605745 1293579996 /nfs/dbraw/zinc/57/99/96/1293579996.db2.gz YNUKFPASRHHUGN-MRXNPFEDSA-N 2 2 347.488 2.427 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnns3)C2)ccn1 ZINC000856605745 1293580001 /nfs/dbraw/zinc/58/00/01/1293580001.db2.gz YNUKFPASRHHUGN-MRXNPFEDSA-N 2 2 347.488 2.427 10 0 EEAELP 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335.477 2.054 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001265983356 1323543023 /nfs/dbraw/zinc/54/30/23/1323543023.db2.gz RGWHOXFWLHGNPX-NCRRVARUSA-N 2 2 338.455 2.494 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001265983356 1323543025 /nfs/dbraw/zinc/54/30/25/1323543025.db2.gz RGWHOXFWLHGNPX-NCRRVARUSA-N 2 2 338.455 2.494 10 0 EEAELP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001280744299 1324469338 /nfs/dbraw/zinc/46/93/38/1324469338.db2.gz MLWQXPDDNMZDFS-KRWDZBQOSA-N 2 2 336.480 2.059 10 0 EEAELP CC(C)OCCC[N@H+]1CCC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001280744299 1324469342 /nfs/dbraw/zinc/46/93/42/1324469342.db2.gz MLWQXPDDNMZDFS-KRWDZBQOSA-N 2 2 336.480 2.059 10 0 EEAELP COCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001282676040 1325762665 /nfs/dbraw/zinc/76/26/65/1325762665.db2.gz RNYSWFDAEAUIDS-IRXDYDNUSA-N 2 2 336.480 2.232 10 0 EEAELP COCCC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001282676040 1325762670 /nfs/dbraw/zinc/76/26/70/1325762670.db2.gz RNYSWFDAEAUIDS-IRXDYDNUSA-N 2 2 336.480 2.232 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001283103185 1325920048 /nfs/dbraw/zinc/92/00/48/1325920048.db2.gz KKXRERMTXTVJBA-WKILWMFISA-N 2 2 346.500 2.439 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001284247994 1326473966 /nfs/dbraw/zinc/47/39/66/1326473966.db2.gz SEYZJUPINNZZHH-NEPJUHHUSA-N 2 2 331.247 2.077 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1C ZINC001491595136 1330178145 /nfs/dbraw/zinc/17/81/45/1330178145.db2.gz MFXDKPPUEOWIBC-GJZGRUSLSA-N 2 2 344.459 2.446 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001491651289 1330199255 /nfs/dbraw/zinc/19/92/55/1330199255.db2.gz PVGJOXPMXQOISQ-CHWSQXEVSA-N 2 2 330.432 2.125 10 0 EEAELP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCOC(C)C)C2)c(C)[nH+]1 ZINC001491821073 1330263762 /nfs/dbraw/zinc/26/37/62/1330263762.db2.gz IKZCGUFKUDAAJS-KRWDZBQOSA-N 2 2 333.476 2.484 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCc2ccc(F)cc21 ZINC001492286107 1331138630 /nfs/dbraw/zinc/13/86/30/1331138630.db2.gz FQYBBFXOBSYXNJ-JFIYKMOQSA-N 2 2 342.418 2.388 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@@H]1CCc2ccc(F)cc21 ZINC001492286107 1331138634 /nfs/dbraw/zinc/13/86/34/1331138634.db2.gz FQYBBFXOBSYXNJ-JFIYKMOQSA-N 2 2 342.418 2.388 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(C)nc1C ZINC001316905939 1331971130 /nfs/dbraw/zinc/97/11/30/1331971130.db2.gz MUMIADDCNDGGTB-UHFFFAOYSA-N 2 2 343.475 2.301 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(C)nc1C ZINC001316905939 1331971133 /nfs/dbraw/zinc/97/11/33/1331971133.db2.gz MUMIADDCNDGGTB-UHFFFAOYSA-N 2 2 343.475 2.301 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]Cc3coc(C)n3)ccn12 ZINC001317392699 1332212303 /nfs/dbraw/zinc/21/23/03/1332212303.db2.gz FBVMXRTZFFVKAJ-GFCCVEGCSA-N 2 2 341.415 2.237 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+](Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001317557624 1332296575 /nfs/dbraw/zinc/29/65/75/1332296575.db2.gz FLACNDWGIHODFM-UHFFFAOYSA-N 2 2 337.427 2.214 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001317557624 1332296577 /nfs/dbraw/zinc/29/65/77/1332296577.db2.gz FLACNDWGIHODFM-UHFFFAOYSA-N 2 2 337.427 2.214 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)o1 ZINC001317670925 1332362597 /nfs/dbraw/zinc/36/25/97/1332362597.db2.gz ZGKQXGJFQHXNAX-GASCZTMLSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)o1 ZINC001317670925 1332362598 /nfs/dbraw/zinc/36/25/98/1332362598.db2.gz ZGKQXGJFQHXNAX-GASCZTMLSA-N 2 2 336.480 2.219 10 0 EEAELP Cc1nc(C)c(C[N@@H+](CCCNC(=O)Cc2[nH]c[nH+]c2C)C(C)C)o1 ZINC001317708914 1332382268 /nfs/dbraw/zinc/38/22/68/1332382268.db2.gz FJALBERLVVUVRD-UHFFFAOYSA-N 2 2 347.463 2.282 10 0 EEAELP Cc1nc(C)c(C[N@H+](CCCNC(=O)Cc2[nH]c[nH+]c2C)C(C)C)o1 ZINC001317708914 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2.200 10 0 EEAELP CO[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001319762170 1332760655 /nfs/dbraw/zinc/76/06/55/1332760655.db2.gz CWHHIUQUHRPXRM-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001319767884 1332762713 /nfs/dbraw/zinc/76/27/13/1332762713.db2.gz REDIGZADUKQGCC-IAGOWNOFSA-N 2 2 330.476 2.216 10 0 EEAELP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(F)(F)C(F)F ZINC001319918631 1332797321 /nfs/dbraw/zinc/79/73/21/1332797321.db2.gz QQWQTXVNMUYBBX-LLVKDONJSA-N 2 2 341.393 2.102 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CCn1cc[nH+]c1 ZINC001320511955 1332900287 /nfs/dbraw/zinc/90/02/87/1332900287.db2.gz JPZNPEYCYZMLKD-UONOGXRCSA-N 2 2 328.407 2.193 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CC[C@@H](C)O1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001320734963 1332942857 /nfs/dbraw/zinc/94/28/57/1332942857.db2.gz PCTSTXOZNISNQL-NVXWUHKLSA-N 2 2 344.459 2.262 10 0 EEAELP O=C(NCC=CC[NH2+]CCC(F)(F)F)c1cc2c[nH+]ccc2[nH]1 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LNBOILOWDNZSII-UHFFFAOYSA-N 2 2 332.473 2.493 10 0 EEAELP Cc1cc(C[N@@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C2CC2)cs1 ZINC001566600036 1342573507 /nfs/dbraw/zinc/57/35/07/1342573507.db2.gz LNBOILOWDNZSII-UHFFFAOYSA-N 2 2 332.473 2.493 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001566956305 1342660187 /nfs/dbraw/zinc/66/01/87/1342660187.db2.gz UXWVJSOCWDURAL-MSOLQXFVSA-N 2 2 348.491 2.155 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001566956305 1342660189 /nfs/dbraw/zinc/66/01/89/1342660189.db2.gz UXWVJSOCWDURAL-MSOLQXFVSA-N 2 2 348.491 2.155 10 0 EEAELP C[C@@H](c1ncccn1)[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567201845 1342710992 /nfs/dbraw/zinc/71/09/92/1342710992.db2.gz JEIONXVGKSECSZ-IRXDYDNUSA-N 2 2 347.507 2.192 10 0 EEAELP C[C@@H](c1ncccn1)[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567201845 1342710993 /nfs/dbraw/zinc/71/09/93/1342710993.db2.gz JEIONXVGKSECSZ-IRXDYDNUSA-N 2 2 347.507 2.192 10 0 EEAELP 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1353222736 /nfs/dbraw/zinc/22/27/36/1353222736.db2.gz CNZAMKJGANZLMQ-ZWKOTPCHSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001647298891 1353222740 /nfs/dbraw/zinc/22/27/40/1353222740.db2.gz CNZAMKJGANZLMQ-ZWKOTPCHSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001647298891 1353222749 /nfs/dbraw/zinc/22/27/49/1353222749.db2.gz CNZAMKJGANZLMQ-ZWKOTPCHSA-N 2 2 344.503 2.425 10 0 EEAELP CCOCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001671237281 1353403702 /nfs/dbraw/zinc/40/37/02/1353403702.db2.gz FVAIPCSZLRUNOT-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP COCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001660438504 1354464917 /nfs/dbraw/zinc/46/49/17/1354464917.db2.gz BRRLQJUODQMKFC-RDJZCZTQSA-N 2 2 344.459 2.262 10 0 EEAELP CCOCC[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001662108483 1354750585 /nfs/dbraw/zinc/75/05/85/1354750585.db2.gz 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Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001668864941 1356027313 /nfs/dbraw/zinc/02/73/13/1356027313.db2.gz MPKYXPLQLKCOPP-XDXAGZTOSA-N 2 2 346.475 2.152 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)no1 ZINC001668864941 1356027319 /nfs/dbraw/zinc/02/73/19/1356027319.db2.gz MPKYXPLQLKCOPP-XDXAGZTOSA-N 2 2 346.475 2.152 10 0 EEAELP CCC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CCCC1 ZINC001671530616 1356357001 /nfs/dbraw/zinc/35/70/01/1356357001.db2.gz PXAMJJXSKQAXOX-ZWKOTPCHSA-N 2 2 347.507 2.465 10 0 EEAELP CCC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CCCC1 ZINC001671530616 1356357006 /nfs/dbraw/zinc/35/70/06/1356357006.db2.gz PXAMJJXSKQAXOX-ZWKOTPCHSA-N 2 2 347.507 2.465 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001672327387 1356502345 /nfs/dbraw/zinc/50/23/45/1356502345.db2.gz HYZFDOAZGJATSV-QAPCUYQASA-N 2 2 340.471 2.187 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001672536660 1356548663 /nfs/dbraw/zinc/54/86/63/1356548663.db2.gz BWHQZAWTJZCZJE-QZTJIDSGSA-N 2 2 348.491 2.143 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1[nH]c[nH+]c1C ZINC001672536660 1356548667 /nfs/dbraw/zinc/54/86/67/1356548667.db2.gz BWHQZAWTJZCZJE-QZTJIDSGSA-N 2 2 348.491 2.143 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001672816292 1356591113 /nfs/dbraw/zinc/59/11/13/1356591113.db2.gz PFTTVWDNGTZCCI-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP Cc1ncoc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001672876069 1356604882 /nfs/dbraw/zinc/60/48/82/1356604882.db2.gz WOKVVOUEKWJXMC-ZBFHGGJFSA-N 2 2 345.447 2.159 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001672880717 1356606676 /nfs/dbraw/zinc/60/66/76/1356606676.db2.gz XRDQMEDVZIQDBY-HOTGVXAUSA-N 2 2 341.459 2.012 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001672880717 1356606680 /nfs/dbraw/zinc/60/66/80/1356606680.db2.gz XRDQMEDVZIQDBY-HOTGVXAUSA-N 2 2 341.459 2.012 10 0 EEAELP CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001673045156 1356636790 /nfs/dbraw/zinc/63/67/90/1356636790.db2.gz WUOFQDNTLLVLRM-ZWKOTPCHSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001673045156 1356636793 /nfs/dbraw/zinc/63/67/93/1356636793.db2.gz WUOFQDNTLLVLRM-ZWKOTPCHSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001673045156 1356636797 /nfs/dbraw/zinc/63/67/97/1356636797.db2.gz WUOFQDNTLLVLRM-ZWKOTPCHSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001673045156 1356636801 /nfs/dbraw/zinc/63/68/01/1356636801.db2.gz WUOFQDNTLLVLRM-ZWKOTPCHSA-N 2 2 339.524 2.257 10 0 EEAELP CCOCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001673601309 1356717217 /nfs/dbraw/zinc/71/72/17/1356717217.db2.gz KJOJSNBXUSNCKL-HZPDHXFCSA-N 2 2 348.491 2.301 10 0 EEAELP CCOCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001673601309 1356717225 /nfs/dbraw/zinc/71/72/25/1356717225.db2.gz KJOJSNBXUSNCKL-HZPDHXFCSA-N 2 2 348.491 2.301 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001674612669 1356864140 /nfs/dbraw/zinc/86/41/40/1356864140.db2.gz XVBNHDLLLINGHV-YWEYNIOJSA-N 2 2 338.455 2.471 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CCCc1cccc(F)c1 ZINC001674735182 1356886211 /nfs/dbraw/zinc/88/62/11/1356886211.db2.gz ONWPPKDDLCSOMQ-ZIAGYGMSSA-N 2 2 332.423 2.207 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001675808186 1357051175 /nfs/dbraw/zinc/05/11/75/1357051175.db2.gz WFKJIBPQYNDVQG-MGPQQGTHSA-N 2 2 340.418 2.262 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001698766499 1405049993 /nfs/dbraw/zinc/04/99/93/1405049993.db2.gz NPZCVZZKFJREMK-NVXWUHKLSA-N 2 2 340.471 2.414 10 0 EEAELP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001698840628 1405101894 /nfs/dbraw/zinc/10/18/94/1405101894.db2.gz ANEWLSRNMXNHRK-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001698840628 1405101901 /nfs/dbraw/zinc/10/19/01/1405101901.db2.gz ANEWLSRNMXNHRK-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001699261449 1405303908 /nfs/dbraw/zinc/30/39/08/1405303908.db2.gz FBPSOOGTBVXLED-ZIYVKSGCSA-N 2 2 326.391 2.040 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001699261449 1405303916 /nfs/dbraw/zinc/30/39/16/1405303916.db2.gz FBPSOOGTBVXLED-ZIYVKSGCSA-N 2 2 326.391 2.040 10 0 EEAELP C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F)n1cc[nH+]c1 ZINC001699760450 1405470519 /nfs/dbraw/zinc/47/05/19/1405470519.db2.gz LDMYDNIHDXOZDV-CHWSQXEVSA-N 2 2 332.370 2.367 10 0 EEAELP Brc1ccsc1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925763326 770935510 /nfs/dbraw/zinc/93/55/10/770935510.db2.gz SCWVFBGBSIEDAW-GXTWGEPZSA-N 2 2 345.306 2.410 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817977916 785126603 /nfs/dbraw/zinc/12/66/03/785126603.db2.gz RILGQUJVPHNUMX-GUBZILKMSA-N 2 2 336.404 2.078 10 0 EEAELP CC[N@@H+]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000910266095 786592663 /nfs/dbraw/zinc/59/26/63/786592663.db2.gz KWLPGJJTCZJISP-INIZCTEOSA-N 2 2 326.444 2.358 10 0 EEAELP CC[N@H+]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000910266095 786592668 /nfs/dbraw/zinc/59/26/68/786592668.db2.gz KWLPGJJTCZJISP-INIZCTEOSA-N 2 2 326.444 2.358 10 0 EEAELP Cc1cccc(N2CC[NH+](CCC[NH2+]Cc3cc[nH]c(=O)c3)CC2)c1 ZINC000921514148 788733513 /nfs/dbraw/zinc/73/35/13/788733513.db2.gz HUFFJOMVQZEYMX-UHFFFAOYSA-N 2 2 340.471 2.398 10 0 EEAELP c1nc2n(c1C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)CCOC2 ZINC000921525861 788846886 /nfs/dbraw/zinc/84/68/86/788846886.db2.gz AEVDYHWEZUNTKI-UHFFFAOYSA-N 2 2 340.471 2.210 10 0 EEAELP COC(OC)[C@@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000922315004 800489105 /nfs/dbraw/zinc/48/91/05/800489105.db2.gz LMKCHMZRMUOKOM-CYBMUJFWSA-N 2 2 341.883 2.189 10 0 EEAELP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1n[nH]c3ccccc31)C2 ZINC000922386403 800944194 /nfs/dbraw/zinc/94/41/94/800944194.db2.gz HCZVMAWNVNJILH-YSHGAJCASA-N 2 2 328.460 2.132 10 0 EEAELP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1n[nH]c3ccccc31)C2 ZINC000922386403 800944198 /nfs/dbraw/zinc/94/41/98/800944198.db2.gz HCZVMAWNVNJILH-YSHGAJCASA-N 2 2 328.460 2.132 10 0 EEAELP Cc1cc(C)c(C[N@H+](C)CCCNC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001566521416 1125693546 /nfs/dbraw/zinc/69/35/46/1125693546.db2.gz QWPSFPQQCKHMTL-UHFFFAOYSA-N 2 2 328.460 2.447 10 0 EEAELP Cc1cc(C)c(C[N@@H+](C)CCCNC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001566521416 1125693550 /nfs/dbraw/zinc/69/35/50/1125693550.db2.gz QWPSFPQQCKHMTL-UHFFFAOYSA-N 2 2 328.460 2.447 10 0 EEAELP CC[C@H](C[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001436474794 1087942067 /nfs/dbraw/zinc/94/20/67/1087942067.db2.gz JGNZTAMHRNKBRT-JKSUJKDBSA-N 2 2 336.480 2.046 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)co1 ZINC001436495706 1088001689 /nfs/dbraw/zinc/00/16/89/1088001689.db2.gz OKUWYDRRWRSCCP-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)co1 ZINC001436495706 1088001705 /nfs/dbraw/zinc/00/17/05/1088001705.db2.gz OKUWYDRRWRSCCP-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)co1 ZINC001436495706 1088001719 /nfs/dbraw/zinc/00/17/19/1088001719.db2.gz OKUWYDRRWRSCCP-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)co1 ZINC001436495706 1088001732 /nfs/dbraw/zinc/00/17/32/1088001732.db2.gz OKUWYDRRWRSCCP-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001436693700 1088149347 /nfs/dbraw/zinc/14/93/47/1088149347.db2.gz CZDLSTSCRFTDNV-RTBURBONSA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@@H](F)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001436693700 1088149355 /nfs/dbraw/zinc/14/93/55/1088149355.db2.gz CZDLSTSCRFTDNV-RTBURBONSA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@@H](F)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001436693700 1088149363 /nfs/dbraw/zinc/14/93/63/1088149363.db2.gz CZDLSTSCRFTDNV-RTBURBONSA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@@H](F)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001436693700 1088149369 /nfs/dbraw/zinc/14/93/69/1088149369.db2.gz CZDLSTSCRFTDNV-RTBURBONSA-N 2 2 349.494 2.490 10 0 EEAELP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001436832530 1088447344 /nfs/dbraw/zinc/44/73/44/1088447344.db2.gz KLPIAXWPVAHAEA-GOSISDBHSA-N 2 2 326.444 2.185 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001437092726 1089046441 /nfs/dbraw/zinc/04/64/41/1089046441.db2.gz RYDGQMJFGNLMFV-KRXBUXKQSA-N 2 2 337.851 2.402 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001437154015 1089156412 /nfs/dbraw/zinc/15/64/12/1089156412.db2.gz KKDSPFPZZPEIET-NSHDSACASA-N 2 2 336.461 2.014 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+]1Cc1c(C)nsc1C ZINC001437674449 1090204341 /nfs/dbraw/zinc/20/43/41/1090204341.db2.gz VVRBLUPGNROAPE-OAHLLOKOSA-N 2 2 347.488 2.046 10 0 EEAELP COc1cccc([C@H](C)[N@H+](CCNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001437821184 1090413511 /nfs/dbraw/zinc/41/35/11/1090413511.db2.gz IQJNNLYCBRKVOP-HNNXBMFYSA-N 2 2 342.443 2.234 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](CCNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001437821184 1090413513 /nfs/dbraw/zinc/41/35/13/1090413513.db2.gz IQJNNLYCBRKVOP-HNNXBMFYSA-N 2 2 342.443 2.234 10 0 EEAELP Cc1nocc1C[NH2+]C[C@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@@H]1C ZINC001438431492 1090931217 /nfs/dbraw/zinc/93/12/17/1090931217.db2.gz BIEYABDZNQSHDC-KBXCAEBGSA-N 2 2 345.447 2.034 10 0 EEAELP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC001445474986 1091250355 /nfs/dbraw/zinc/25/03/55/1091250355.db2.gz NCKVMAZBNKREKH-OAHLLOKOSA-N 2 2 328.460 2.381 10 0 EEAELP Cc1oncc1C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001438758694 1091324411 /nfs/dbraw/zinc/32/44/11/1091324411.db2.gz YSZNYAIQZVYQPR-QGZVFWFLSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]Cc1cncs1 ZINC001438768200 1091347649 /nfs/dbraw/zinc/34/76/49/1091347649.db2.gz JIOGYDNFMUWYJH-GOEBONIOSA-N 2 2 347.488 2.147 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2nc(C)cs2)CC[N@@H+]1C ZINC001445740011 1091566438 /nfs/dbraw/zinc/56/64/38/1091566438.db2.gz DXJWZGDLWFXEJR-VHDGCEQUSA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2nc(C)cs2)CC[N@H+]1C ZINC001445740011 1091566443 /nfs/dbraw/zinc/56/64/43/1091566443.db2.gz DXJWZGDLWFXEJR-VHDGCEQUSA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc2nc(C)cs2)CC[NH+]1C ZINC001445740011 1091566448 /nfs/dbraw/zinc/56/64/48/1091566448.db2.gz DXJWZGDLWFXEJR-VHDGCEQUSA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc2nc(C)cs2)CC[NH+]1C ZINC001445740011 1091566452 /nfs/dbraw/zinc/56/64/52/1091566452.db2.gz DXJWZGDLWFXEJR-VHDGCEQUSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1nc(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CCn2cc[nH+]c2)co1 ZINC001445893583 1091821604 /nfs/dbraw/zinc/82/16/04/1091821604.db2.gz TXLSBANGFJFSSD-WBVHZDCISA-N 2 2 345.447 2.034 10 0 EEAELP Cc1ccncc1C[NH2+]C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001445978864 1091938459 /nfs/dbraw/zinc/93/84/59/1091938459.db2.gz JSOMWQLEIFYTDF-QAPCUYQASA-N 2 2 341.459 2.222 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001446009622 1091991015 /nfs/dbraw/zinc/99/10/15/1091991015.db2.gz GGZGWFXUYLBIRN-QGZVFWFLSA-N 2 2 330.476 2.338 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cs1 ZINC001439338285 1092037240 /nfs/dbraw/zinc/03/72/40/1092037240.db2.gz JPZMFADJMYAWDT-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cs1 ZINC001439338285 1092037246 /nfs/dbraw/zinc/03/72/46/1092037246.db2.gz JPZMFADJMYAWDT-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1nocc1C[NH+]1CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001446044065 1092044384 /nfs/dbraw/zinc/04/43/84/1092044384.db2.gz AWMXQSJJQBTRKF-QGZVFWFLSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1nocc1C[NH+]1CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001446044065 1092044395 /nfs/dbraw/zinc/04/43/95/1092044395.db2.gz AWMXQSJJQBTRKF-QGZVFWFLSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1nocc1C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001446044065 1092044404 /nfs/dbraw/zinc/04/44/04/1092044404.db2.gz AWMXQSJJQBTRKF-QGZVFWFLSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1nocc1C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001446044065 1092044409 /nfs/dbraw/zinc/04/44/09/1092044409.db2.gz AWMXQSJJQBTRKF-QGZVFWFLSA-N 2 2 348.491 2.327 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cncs1 ZINC001439376647 1092116879 /nfs/dbraw/zinc/11/68/79/1092116879.db2.gz AVHWSPQSXIWVHR-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cncs1 ZINC001439376647 1092116882 /nfs/dbraw/zinc/11/68/82/1092116882.db2.gz AVHWSPQSXIWVHR-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cncs1 ZINC001439376647 1092116887 /nfs/dbraw/zinc/11/68/87/1092116887.db2.gz AVHWSPQSXIWVHR-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cncs1 ZINC001439376647 1092116891 /nfs/dbraw/zinc/11/68/91/1092116891.db2.gz AVHWSPQSXIWVHR-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001439498785 1092333589 /nfs/dbraw/zinc/33/35/89/1092333589.db2.gz PZRQAAIMEJQVQC-AEFFLSMTSA-N 2 2 348.491 2.088 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1nc2ccccc2o1 ZINC001440254502 1093351006 /nfs/dbraw/zinc/35/10/06/1093351006.db2.gz QNPXGLBSUYVZEK-OAHLLOKOSA-N 2 2 344.459 2.202 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1Cc1nc2ccccc2o1 ZINC001440254502 1093351011 /nfs/dbraw/zinc/35/10/11/1093351011.db2.gz QNPXGLBSUYVZEK-OAHLLOKOSA-N 2 2 344.459 2.202 10 0 EEAELP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001440254502 1093351014 /nfs/dbraw/zinc/35/10/14/1093351014.db2.gz QNPXGLBSUYVZEK-OAHLLOKOSA-N 2 2 344.459 2.202 10 0 EEAELP CC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001440254502 1093351022 /nfs/dbraw/zinc/35/10/22/1093351022.db2.gz QNPXGLBSUYVZEK-OAHLLOKOSA-N 2 2 344.459 2.202 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cscn2)C1)n1cc[nH+]c1 ZINC001440401037 1093587479 /nfs/dbraw/zinc/58/74/79/1093587479.db2.gz MBDGOHGNEIRHKH-SOUVJXGZSA-N 2 2 347.488 2.365 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(F)c1 ZINC001448560022 1093606661 /nfs/dbraw/zinc/60/66/61/1093606661.db2.gz DXGYNTWOONPOPL-GOSISDBHSA-N 2 2 346.450 2.422 10 0 EEAELP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001440606316 1093871318 /nfs/dbraw/zinc/87/13/18/1093871318.db2.gz WDQLEAVMXZNLFW-INIZCTEOSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1ccc(C)c(OCC[N@@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001441027261 1094316064 /nfs/dbraw/zinc/31/60/64/1094316064.db2.gz RKAYVPZWAUFVIL-KRWDZBQOSA-N 2 2 344.459 2.015 10 0 EEAELP Cc1ccc(C)c(OCC[N@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001441027261 1094316068 /nfs/dbraw/zinc/31/60/68/1094316068.db2.gz RKAYVPZWAUFVIL-KRWDZBQOSA-N 2 2 344.459 2.015 10 0 EEAELP CC1(C)CC(C[NH2+][C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C2CC2)C1 ZINC001441207333 1094569564 /nfs/dbraw/zinc/56/95/64/1094569564.db2.gz QREHNJSPWQRSOX-WMZOPIPTSA-N 2 2 344.503 2.366 10 0 EEAELP CC(C)(C)CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001441230968 1094612624 /nfs/dbraw/zinc/61/26/24/1094612624.db2.gz VTKIJVDNTOBFJY-IBGZPJMESA-N 2 2 348.491 2.013 10 0 EEAELP CC(C)(C)CCC[N@H+]1CCO[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001441230968 1094612630 /nfs/dbraw/zinc/61/26/30/1094612630.db2.gz VTKIJVDNTOBFJY-IBGZPJMESA-N 2 2 348.491 2.013 10 0 EEAELP CO[C@H](C[N@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C1CCC1 ZINC001441386182 1094935725 /nfs/dbraw/zinc/93/57/25/1094935725.db2.gz XDBWXQJYPOOGRO-GOSISDBHSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C1CCC1 ZINC001441386182 1094935729 /nfs/dbraw/zinc/93/57/29/1094935729.db2.gz XDBWXQJYPOOGRO-GOSISDBHSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C1CCC1 ZINC001441386182 1094935731 /nfs/dbraw/zinc/93/57/31/1094935731.db2.gz XDBWXQJYPOOGRO-GOSISDBHSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C1CCC1 ZINC001441386182 1094935743 /nfs/dbraw/zinc/93/57/43/1094935743.db2.gz XDBWXQJYPOOGRO-GOSISDBHSA-N 2 2 348.491 2.080 10 0 EEAELP CCc1nocc1C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001441540888 1095258544 /nfs/dbraw/zinc/25/85/44/1095258544.db2.gz QRHQYXNGASVAJC-CYBMUJFWSA-N 2 2 347.463 2.114 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]Cc1cncs1)NC(=O)CCn1cc[nH+]c1 ZINC001442141770 1096389126 /nfs/dbraw/zinc/38/91/26/1096389126.db2.gz LIQJZAGWLLOARZ-AWEZNQCLSA-N 2 2 335.477 2.050 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001442335543 1096657964 /nfs/dbraw/zinc/65/79/64/1096657964.db2.gz MABFVVRIOYHGKQ-CRAIPNDOSA-N 2 2 326.444 2.445 10 0 EEAELP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@@H]1CCCC(F)(F)C1 ZINC001442421459 1096745435 /nfs/dbraw/zinc/74/54/35/1096745435.db2.gz JPXOIUCUMYVZBC-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@@H]1CCCC(F)(F)C1 ZINC001442421459 1096745438 /nfs/dbraw/zinc/74/54/38/1096745438.db2.gz JPXOIUCUMYVZBC-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C[C@@H]1CCCC(F)(F)C1 ZINC001442421459 1096745442 /nfs/dbraw/zinc/74/54/42/1096745442.db2.gz JPXOIUCUMYVZBC-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C[C@@H]1CCCC(F)(F)C1 ZINC001442421459 1096745444 /nfs/dbraw/zinc/74/54/44/1096745444.db2.gz JPXOIUCUMYVZBC-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001443256653 1097732743 /nfs/dbraw/zinc/73/27/43/1097732743.db2.gz DEQZJCMNJJPSNS-AWEZNQCLSA-N 2 2 332.473 2.053 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001443256653 1097732748 /nfs/dbraw/zinc/73/27/48/1097732748.db2.gz DEQZJCMNJJPSNS-AWEZNQCLSA-N 2 2 332.473 2.053 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001443853344 1098374076 /nfs/dbraw/zinc/37/40/76/1098374076.db2.gz ZWAOZEDWMICKAU-MRXNPFEDSA-N 2 2 345.447 2.001 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001443853344 1098374086 /nfs/dbraw/zinc/37/40/86/1098374086.db2.gz ZWAOZEDWMICKAU-MRXNPFEDSA-N 2 2 345.447 2.001 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC(C)(C)C1 ZINC001443961338 1098480137 /nfs/dbraw/zinc/48/01/37/1098480137.db2.gz UOVBSGYXVUIHDA-HOTGVXAUSA-N 2 2 332.492 2.366 10 0 EEAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cc(C)ns1 ZINC001444001829 1098516968 /nfs/dbraw/zinc/51/69/68/1098516968.db2.gz GFCPOCQGBAVLRA-ZIAGYGMSSA-N 2 2 335.477 2.284 10 0 EEAELP Cc1nc(C[NH2+]C[C@@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)c(C)s1 ZINC001444177550 1098731192 /nfs/dbraw/zinc/73/11/92/1098731192.db2.gz WKUKSEIXXCRXQS-QGZVFWFLSA-N 2 2 347.488 2.031 10 0 EEAELP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001444187867 1098738537 /nfs/dbraw/zinc/73/85/37/1098738537.db2.gz RSRUMQWBSISUNJ-FZKCQIBNSA-N 2 2 336.455 2.211 10 0 EEAELP CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001479742324 1098865423 /nfs/dbraw/zinc/86/54/23/1098865423.db2.gz ZFNWOHWXRWAHPP-CYBMUJFWSA-N 2 2 347.488 2.375 10 0 EEAELP CO[C@H](C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1)C1CCCC1 ZINC001444529601 1099295039 /nfs/dbraw/zinc/29/50/39/1099295039.db2.gz VZJKDMKAIAATRC-QGZVFWFLSA-N 2 2 348.491 2.176 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001479960050 1099403106 /nfs/dbraw/zinc/40/31/06/1099403106.db2.gz XBBCIMSQGJRFMI-STQMWFEESA-N 2 2 345.274 2.048 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001479960050 1099403118 /nfs/dbraw/zinc/40/31/18/1099403118.db2.gz XBBCIMSQGJRFMI-STQMWFEESA-N 2 2 345.274 2.048 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001480068209 1099602980 /nfs/dbraw/zinc/60/29/80/1099602980.db2.gz FBTVUHCVBJSCRM-INIZCTEOSA-N 2 2 332.835 2.221 10 0 EEAELP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001444937938 1100046958 /nfs/dbraw/zinc/04/69/58/1100046958.db2.gz IQXFNWCKWYWNFY-IBGZPJMESA-N 2 2 340.471 2.302 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)c(C)o1 ZINC001480323737 1100070434 /nfs/dbraw/zinc/07/04/34/1100070434.db2.gz LAJHSFYOKVPPTN-MRXNPFEDSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)c(C)o1 ZINC001480323737 1100070443 /nfs/dbraw/zinc/07/04/43/1100070443.db2.gz LAJHSFYOKVPPTN-MRXNPFEDSA-N 2 2 348.491 2.104 10 0 EEAELP CN(CC[N@H+](C)CCc1cccs1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001445071522 1100275340 /nfs/dbraw/zinc/27/53/40/1100275340.db2.gz LWHIWKHVYBZWEE-UHFFFAOYSA-N 2 2 334.489 2.382 10 0 EEAELP CN(CC[N@@H+](C)CCc1cccs1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001445071522 1100275347 /nfs/dbraw/zinc/27/53/47/1100275347.db2.gz LWHIWKHVYBZWEE-UHFFFAOYSA-N 2 2 334.489 2.382 10 0 EEAELP C[C@@H](CC[NH2+][C@@H]1CCc2c1c(F)ccc2F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445326009 1100561896 /nfs/dbraw/zinc/56/18/96/1100561896.db2.gz WQRGUAIDGMSGQC-XHDPSFHLSA-N 2 2 348.397 2.402 10 0 EEAELP C[C@@H](CC(=O)NC1(C[NH2+]CC[C@@H]2CCOC2)CCCC1)n1cc[nH+]c1 ZINC001495190498 1100867769 /nfs/dbraw/zinc/86/77/69/1100867769.db2.gz AMJYNZKBEFTUHU-DLBZAZTESA-N 2 2 348.491 2.279 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC1(C)CC[NH+](Cc2csc(C)n2)CC1 ZINC001446475561 1100902803 /nfs/dbraw/zinc/90/28/03/1100902803.db2.gz JGMBLPLLTWEGDN-UHFFFAOYSA-N 2 2 347.488 2.127 10 0 EEAELP C[C@@H]1CCCC[C@]1(C[NH2+]Cc1cscn1)NC(=O)Cn1cc[nH+]c1 ZINC001495334472 1101043105 /nfs/dbraw/zinc/04/31/05/1101043105.db2.gz SQRRGTOXPXTYOY-RHSMWYFYSA-N 2 2 347.488 2.195 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496797560 1101488262 /nfs/dbraw/zinc/48/82/62/1101488262.db2.gz YTUGJMVQTNMTDQ-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496797560 1101488265 /nfs/dbraw/zinc/48/82/65/1101488265.db2.gz YTUGJMVQTNMTDQ-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001496797560 1101488272 /nfs/dbraw/zinc/48/82/72/1101488272.db2.gz YTUGJMVQTNMTDQ-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001496797560 1101488273 /nfs/dbraw/zinc/48/82/73/1101488273.db2.gz YTUGJMVQTNMTDQ-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP C[C@@H](CC[NH2+]Cc1nsc2ccccc12)NC(=O)Cn1cc[nH+]c1 ZINC001497337109 1102347420 /nfs/dbraw/zinc/34/74/20/1102347420.db2.gz ODTBQBMOSSGYCZ-ZDUSSCGKSA-N 2 2 343.456 2.177 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CCOC(C)C)CC1 ZINC001447298364 1102397454 /nfs/dbraw/zinc/39/74/54/1102397454.db2.gz CDQKMRAIGDLKME-KRWDZBQOSA-N 2 2 349.475 2.028 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CCOC(C)C)CC1 ZINC001447298364 1102397467 /nfs/dbraw/zinc/39/74/67/1102397467.db2.gz CDQKMRAIGDLKME-KRWDZBQOSA-N 2 2 349.475 2.028 10 0 EEAELP CN(CCC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001447342700 1102485861 /nfs/dbraw/zinc/48/58/61/1102485861.db2.gz PTYSZEKXYGOEIB-KRWDZBQOSA-N 2 2 332.492 2.416 10 0 EEAELP CN(CCC[N@@H+](C)CC1CCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001447342700 1102485865 /nfs/dbraw/zinc/48/58/65/1102485865.db2.gz PTYSZEKXYGOEIB-KRWDZBQOSA-N 2 2 332.492 2.416 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]Cc2ccc(C)nc2C)c[nH+]1 ZINC001497835039 1103167291 /nfs/dbraw/zinc/16/72/91/1103167291.db2.gz NWDDCIDVPLGIEN-CQSZACIVSA-N 2 2 343.475 2.233 10 0 EEAELP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140148 1103589958 /nfs/dbraw/zinc/58/99/58/1103589958.db2.gz GSMCDSACAZLOME-SJORKVTESA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140148 1103589964 /nfs/dbraw/zinc/58/99/64/1103589964.db2.gz GSMCDSACAZLOME-SJORKVTESA-N 2 2 332.492 2.416 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)NC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001494464379 1104048335 /nfs/dbraw/zinc/04/83/35/1104048335.db2.gz MVYSLLMNJNDGMU-IBGZPJMESA-N 2 2 338.455 2.460 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001498083583 1106898929 /nfs/dbraw/zinc/89/89/29/1106898929.db2.gz XNQIRRAZVSWLKN-AWEZNQCLSA-N 2 2 334.851 2.264 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001498115082 1106939282 /nfs/dbraw/zinc/93/92/82/1106939282.db2.gz NYFBVQLYCFJAMV-NUEKZKHPSA-N 2 2 344.434 2.266 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCc1ccccc1 ZINC001480774986 1107092749 /nfs/dbraw/zinc/09/27/49/1107092749.db2.gz WPBAUJHDSNFTIK-WMZOPIPTSA-N 2 2 340.471 2.173 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1F ZINC001480812698 1107161781 /nfs/dbraw/zinc/16/17/81/1107161781.db2.gz LJLRUSLXKFECOK-GFCCVEGCSA-N 2 2 338.814 2.360 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001498397921 1107452260 /nfs/dbraw/zinc/45/22/60/1107452260.db2.gz JPHXVORZMCZCSV-ZBFHGGJFSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001498397921 1107452266 /nfs/dbraw/zinc/45/22/66/1107452266.db2.gz JPHXVORZMCZCSV-ZBFHGGJFSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001498397921 1107452270 /nfs/dbraw/zinc/45/22/70/1107452270.db2.gz JPHXVORZMCZCSV-ZBFHGGJFSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001498397921 1107452273 /nfs/dbraw/zinc/45/22/73/1107452273.db2.gz JPHXVORZMCZCSV-ZBFHGGJFSA-N 2 2 336.480 2.182 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001493161325 1107618024 /nfs/dbraw/zinc/61/80/24/1107618024.db2.gz MUDMIBDOFJMKOM-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001493161325 1107618032 /nfs/dbraw/zinc/61/80/32/1107618032.db2.gz MUDMIBDOFJMKOM-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001493161325 1107618039 /nfs/dbraw/zinc/61/80/39/1107618039.db2.gz MUDMIBDOFJMKOM-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001493161325 1107618045 /nfs/dbraw/zinc/61/80/45/1107618045.db2.gz MUDMIBDOFJMKOM-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@H+]3CC)CC2)cc1 ZINC001479176754 1110661381 /nfs/dbraw/zinc/66/13/81/1110661381.db2.gz PGHKISFRCXBPMP-IBGZPJMESA-N 2 2 344.503 2.170 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]3CC[N@@H+]3CC)CC2)cc1 ZINC001479176754 1110661383 /nfs/dbraw/zinc/66/13/83/1110661383.db2.gz PGHKISFRCXBPMP-IBGZPJMESA-N 2 2 344.503 2.170 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1c2ccccc2CC[N@H+]1CC1CCC1 ZINC001503691301 1113899911 /nfs/dbraw/zinc/89/99/11/1113899911.db2.gz LULDRFVTXXSTTL-IBGZPJMESA-N 2 2 338.455 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1c2ccccc2CC[N@@H+]1CC1CCC1 ZINC001503691301 1113899915 /nfs/dbraw/zinc/89/99/15/1113899915.db2.gz LULDRFVTXXSTTL-IBGZPJMESA-N 2 2 338.455 2.399 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001505622628 1114091876 /nfs/dbraw/zinc/09/18/76/1114091876.db2.gz WWFDOFFZIJEVPS-KBPBESRZSA-N 2 2 332.423 2.495 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001505622628 1114091879 /nfs/dbraw/zinc/09/18/79/1114091879.db2.gz WWFDOFFZIJEVPS-KBPBESRZSA-N 2 2 332.423 2.495 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661713 1114116162 /nfs/dbraw/zinc/11/61/62/1114116162.db2.gz YZPRKNDUILKNNK-LSDHHAIUSA-N 2 2 346.450 2.483 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001506959556 1115006960 /nfs/dbraw/zinc/00/69/60/1115006960.db2.gz GMGMMVBABRBNNR-LSDHHAIUSA-N 2 2 336.455 2.116 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001506959556 1115006965 /nfs/dbraw/zinc/00/69/65/1115006965.db2.gz GMGMMVBABRBNNR-LSDHHAIUSA-N 2 2 336.455 2.116 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001507092855 1115104266 /nfs/dbraw/zinc/10/42/66/1115104266.db2.gz QVAQWWNOXLMOJB-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(F)c1 ZINC001507094236 1115104889 /nfs/dbraw/zinc/10/48/89/1115104889.db2.gz UDILGDNREMVKAA-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001507311136 1115186115 /nfs/dbraw/zinc/18/61/15/1115186115.db2.gz VPTXJHYTEDYXCJ-HOTGVXAUSA-N 2 2 330.476 2.307 10 0 EEAELP CCc1ccccc1C[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001508228899 1115453936 /nfs/dbraw/zinc/45/39/36/1115453936.db2.gz JKRYQECQKULCQU-UHFFFAOYSA-N 2 2 338.455 2.394 10 0 EEAELP CCc1ccccc1C[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001508228899 1115453938 /nfs/dbraw/zinc/45/39/38/1115453938.db2.gz JKRYQECQKULCQU-UHFFFAOYSA-N 2 2 338.455 2.394 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001568397328 1124467888 /nfs/dbraw/zinc/46/78/88/1124467888.db2.gz XUJLWOOERQHZCO-CQSZACIVSA-N 2 2 340.418 2.358 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)o1 ZINC001568631732 1124647148 /nfs/dbraw/zinc/64/71/48/1124647148.db2.gz CROJRELNRUZYHR-LBPRGKRZSA-N 2 2 341.415 2.237 10 0 EEAELP C[C@@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)CCc1c[nH+]cn1C ZINC001568703987 1124720218 /nfs/dbraw/zinc/72/02/18/1124720218.db2.gz ZGKWAAIRXPNLOZ-WBOGTDJTSA-N 2 2 333.263 2.156 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)CCc1c[nH+]cn1C ZINC001568703985 1124720308 /nfs/dbraw/zinc/72/03/08/1124720308.db2.gz ZGKWAAIRXPNLOZ-HBZGRHIISA-N 2 2 333.263 2.156 10 0 EEAELP CCc1cnc(C[NH2+]CCN(CC)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)o1 ZINC001568751738 1124766657 /nfs/dbraw/zinc/76/66/57/1124766657.db2.gz SYUHHADHGVHZRS-DOTOQJQBSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH2+]CCN(CC)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)o1 ZINC001568751738 1124766661 /nfs/dbraw/zinc/76/66/61/1124766661.db2.gz SYUHHADHGVHZRS-DOTOQJQBSA-N 2 2 348.491 2.192 10 0 EEAELP CCN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)Cc1c[nH+]cn1C ZINC001568791625 1124804701 /nfs/dbraw/zinc/80/47/01/1124804701.db2.gz OLHVSAIBLNJZDR-UHFFFAOYSA-N 2 2 342.434 2.226 10 0 EEAELP C[N@H+](CC(=O)NC/C=C/C[NH2+]Cc1ncc(Cl)s1)C1CCC1 ZINC001568863801 1124889748 /nfs/dbraw/zinc/88/97/48/1124889748.db2.gz KCTJFPZBAGYTOY-NSCUHMNNSA-N 2 2 342.896 2.043 10 0 EEAELP C[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc1ncc(Cl)s1)C1CCC1 ZINC001568863801 1124889753 /nfs/dbraw/zinc/88/97/53/1124889753.db2.gz KCTJFPZBAGYTOY-NSCUHMNNSA-N 2 2 342.896 2.043 10 0 EEAELP Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC001568949392 1124983033 /nfs/dbraw/zinc/98/30/33/1124983033.db2.gz BVAHXWYJMUFTCH-WAYWQWQTSA-N 2 2 340.471 2.350 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001568973964 1125013680 /nfs/dbraw/zinc/01/36/80/1125013680.db2.gz UHHRHSBPJYCYOR-OWOJBTEDSA-N 2 2 336.798 2.138 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)c2cccc3[nH+]ccn32)o1 ZINC001569223073 1125176317 /nfs/dbraw/zinc/17/63/17/1125176317.db2.gz WTFLANGSGSSXMA-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)cc1 ZINC000371063834 283123157 /nfs/dbraw/zinc/12/31/57/283123157.db2.gz ISZAIKCELJPNBS-ZWKOTPCHSA-N 2 2 346.450 2.061 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)cc1 ZINC000371063834 283123158 /nfs/dbraw/zinc/12/31/58/283123158.db2.gz ISZAIKCELJPNBS-ZWKOTPCHSA-N 2 2 346.450 2.061 10 0 EEAELP Ic1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000037648837 213161579 /nfs/dbraw/zinc/16/15/79/213161579.db2.gz FBRQPAHBYLZISM-JTQLQIEISA-N 2 2 346.212 2.458 10 0 EEAELP Ic1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037648837 213161581 /nfs/dbraw/zinc/16/15/81/213161581.db2.gz FBRQPAHBYLZISM-JTQLQIEISA-N 2 2 346.212 2.458 10 0 EEAELP CC[C@H]1CCCC[N@@H+]1Cc1c(CC(=O)OC)[nH+]c2ccc(N)cn21 ZINC000036274789 213079466 /nfs/dbraw/zinc/07/94/66/213079466.db2.gz ZAUDVWFBFPUTIV-AWEZNQCLSA-N 2 2 330.432 2.397 10 0 EEAELP CC[C@H]1CCCC[N@H+]1Cc1c(CC(=O)OC)[nH+]c2ccc(N)cn21 ZINC000036274789 213079469 /nfs/dbraw/zinc/07/94/69/213079469.db2.gz ZAUDVWFBFPUTIV-AWEZNQCLSA-N 2 2 330.432 2.397 10 0 EEAELP c1cnc(OC2CCCC2)c(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422962295 240308966 /nfs/dbraw/zinc/30/89/66/240308966.db2.gz FFSBGWAKASCLHB-ZWKOTPCHSA-N 2 2 331.460 2.260 10 0 EEAELP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422865878 240266896 /nfs/dbraw/zinc/26/68/96/240266896.db2.gz PRQGPZTVSVZPNC-UXHICEINSA-N 2 2 348.487 2.267 10 0 EEAELP FC(F)(F)COc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422879733 240272516 /nfs/dbraw/zinc/27/25/16/240272516.db2.gz KXUDKANSENIESC-CVEARBPZSA-N 2 2 344.377 2.484 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@H](CO)c2cccnc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423120786 240374072 /nfs/dbraw/zinc/37/40/72/240374072.db2.gz HPDDBZPADWDQRY-HOJAQTOUSA-N 2 2 341.455 2.249 10 0 EEAELP CC(C)[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000446727879 242216781 /nfs/dbraw/zinc/21/67/81/242216781.db2.gz GELRNQPBFJAPCP-QGZVFWFLSA-N 2 2 330.476 2.098 10 0 EEAELP CC(C)[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000446727879 242216784 /nfs/dbraw/zinc/21/67/84/242216784.db2.gz GELRNQPBFJAPCP-QGZVFWFLSA-N 2 2 330.476 2.098 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc3nsnc32)[C@H](C)C1 ZINC000081095434 217360835 /nfs/dbraw/zinc/36/08/35/217360835.db2.gz SFFZKKSIBTYVKJ-DOMZBBRYSA-N 2 2 347.488 2.292 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc3nsnc32)[C@H](C)C1 ZINC000081095434 217360838 /nfs/dbraw/zinc/36/08/38/217360838.db2.gz SFFZKKSIBTYVKJ-DOMZBBRYSA-N 2 2 347.488 2.292 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc3nsnc32)[C@H](C)C1 ZINC000081095434 217360841 /nfs/dbraw/zinc/36/08/41/217360841.db2.gz SFFZKKSIBTYVKJ-DOMZBBRYSA-N 2 2 347.488 2.292 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc3nsnc32)[C@H](C)C1 ZINC000081095434 217360844 /nfs/dbraw/zinc/36/08/44/217360844.db2.gz SFFZKKSIBTYVKJ-DOMZBBRYSA-N 2 2 347.488 2.292 10 0 EEAELP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C[NH+]1CCOCC1 ZINC000153141959 224064417 /nfs/dbraw/zinc/06/44/17/224064417.db2.gz MPFQQRIIZFZWMQ-CVEARBPZSA-N 2 2 347.459 2.262 10 0 EEAELP CCN(CC)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256802 256008001 /nfs/dbraw/zinc/00/80/01/256008001.db2.gz YJZSSGOSDJRUQS-OAHLLOKOSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(CC)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256802 256008003 /nfs/dbraw/zinc/00/80/03/256008003.db2.gz YJZSSGOSDJRUQS-OAHLLOKOSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(CC)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256802 256008010 /nfs/dbraw/zinc/00/80/10/256008010.db2.gz YJZSSGOSDJRUQS-OAHLLOKOSA-N 2 2 338.521 2.074 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCOCC(F)(F)F)C1 ZINC000195276387 256009029 /nfs/dbraw/zinc/00/90/29/256009029.db2.gz OZKPZKVZLSFNQN-HNNXBMFYSA-N 2 2 331.382 2.414 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000195276387 256009031 /nfs/dbraw/zinc/00/90/31/256009031.db2.gz OZKPZKVZLSFNQN-HNNXBMFYSA-N 2 2 331.382 2.414 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000195276387 256009033 /nfs/dbraw/zinc/00/90/33/256009033.db2.gz OZKPZKVZLSFNQN-HNNXBMFYSA-N 2 2 331.382 2.414 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCn2cccn2)[C@@H]1c1cnn(C)c1 ZINC000328634651 258026222 /nfs/dbraw/zinc/02/62/22/258026222.db2.gz MVSWYEQVKLTGKG-FUHWJXTLSA-N 2 2 330.480 2.022 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)CCn2cccn2)[C@@H]1c1cnn(C)c1 ZINC000328634651 258026224 /nfs/dbraw/zinc/02/62/24/258026224.db2.gz MVSWYEQVKLTGKG-FUHWJXTLSA-N 2 2 330.480 2.022 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)CCn2cccn2)[C@@H]1c1cnn(C)c1 ZINC000328634651 258026226 /nfs/dbraw/zinc/02/62/26/258026226.db2.gz MVSWYEQVKLTGKG-FUHWJXTLSA-N 2 2 330.480 2.022 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCn2cccn2)[C@@H]1c1cnn(C)c1 ZINC000328634651 258026227 /nfs/dbraw/zinc/02/62/27/258026227.db2.gz MVSWYEQVKLTGKG-FUHWJXTLSA-N 2 2 330.480 2.022 10 0 EEAELP CC(C)[NH2+]C1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000111824286 142365286 /nfs/dbraw/zinc/36/52/86/142365286.db2.gz MLGAGMBFULNVFZ-UHFFFAOYSA-N 2 2 345.491 2.222 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263013474 152357972 /nfs/dbraw/zinc/35/79/72/152357972.db2.gz QARAJXYIRKGCQT-MRXNPFEDSA-N 2 2 337.414 2.286 10 0 EEAELP C[C@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1n1cc[nH+]c1 ZINC000248998439 160370071 /nfs/dbraw/zinc/37/00/71/160370071.db2.gz MOQYVVIHNGFPAR-SUMWQHHRSA-N 2 2 326.404 2.355 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1n1cc[nH+]c1 ZINC000248998439 160370073 /nfs/dbraw/zinc/37/00/73/160370073.db2.gz MOQYVVIHNGFPAR-SUMWQHHRSA-N 2 2 326.404 2.355 10 0 EEAELP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086249558 159170722 /nfs/dbraw/zinc/17/07/22/159170722.db2.gz OZOBPEPREJJOJP-KBXCAEBGSA-N 2 2 342.443 2.079 10 0 EEAELP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086249558 159170723 /nfs/dbraw/zinc/17/07/23/159170723.db2.gz OZOBPEPREJJOJP-KBXCAEBGSA-N 2 2 342.443 2.079 10 0 EEAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000107368982 159331031 /nfs/dbraw/zinc/33/10/31/159331031.db2.gz AEFWWFUOMCQAJU-HOTGVXAUSA-N 2 2 335.496 2.185 10 0 EEAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000107368982 159331032 /nfs/dbraw/zinc/33/10/32/159331032.db2.gz AEFWWFUOMCQAJU-HOTGVXAUSA-N 2 2 335.496 2.185 10 0 EEAELP C[NH+](C)CC1(CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CCCC1 ZINC000185170568 160030054 /nfs/dbraw/zinc/03/00/54/160030054.db2.gz XLEDYDWZWJAEQR-INIZCTEOSA-N 2 2 333.480 2.179 10 0 EEAELP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000186221020 160063333 /nfs/dbraw/zinc/06/33/33/160063333.db2.gz ZKYWCSJRAGYVJW-OAHLLOKOSA-N 2 2 345.447 2.193 10 0 EEAELP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000186221020 160063334 /nfs/dbraw/zinc/06/33/34/160063334.db2.gz ZKYWCSJRAGYVJW-OAHLLOKOSA-N 2 2 345.447 2.193 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)C[C@@H]2C1 ZINC000193599155 160184021 /nfs/dbraw/zinc/18/40/21/160184021.db2.gz IHQTXYNSCWNRMU-HDICACEKSA-N 2 2 339.439 2.203 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)C[C@@H]2C1 ZINC000193599155 160184022 /nfs/dbraw/zinc/18/40/22/160184022.db2.gz IHQTXYNSCWNRMU-HDICACEKSA-N 2 2 339.439 2.203 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(=O)NCc4ccco4)c3)C[C@@H]2C1 ZINC000193599155 160184023 /nfs/dbraw/zinc/18/40/23/160184023.db2.gz IHQTXYNSCWNRMU-HDICACEKSA-N 2 2 339.439 2.203 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(=O)NCc4ccco4)c3)C[C@@H]2C1 ZINC000193599155 160184024 /nfs/dbraw/zinc/18/40/24/160184024.db2.gz IHQTXYNSCWNRMU-HDICACEKSA-N 2 2 339.439 2.203 10 0 EEAELP C[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000194659188 160197734 /nfs/dbraw/zinc/19/77/34/160197734.db2.gz MCQNGYOVRMJHNN-ZNMIVQPWSA-N 2 2 327.432 2.145 10 0 EEAELP C[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000194659188 160197735 /nfs/dbraw/zinc/19/77/35/160197735.db2.gz MCQNGYOVRMJHNN-ZNMIVQPWSA-N 2 2 327.432 2.145 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247301059 160319101 /nfs/dbraw/zinc/31/91/01/160319101.db2.gz FJSDVVKBNUSDSC-RHSMWYFYSA-N 2 2 330.407 2.222 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C[C@H]1n1cc[nH+]c1 ZINC000247301059 160319103 /nfs/dbraw/zinc/31/91/03/160319103.db2.gz FJSDVVKBNUSDSC-RHSMWYFYSA-N 2 2 330.407 2.222 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247979195 160334710 /nfs/dbraw/zinc/33/47/10/160334710.db2.gz IDFHRHNVSMESEO-FUHWJXTLSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247979195 160334711 /nfs/dbraw/zinc/33/47/11/160334711.db2.gz IDFHRHNVSMESEO-FUHWJXTLSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247979195 160334712 /nfs/dbraw/zinc/33/47/12/160334712.db2.gz IDFHRHNVSMESEO-FUHWJXTLSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247979195 160334713 /nfs/dbraw/zinc/33/47/13/160334713.db2.gz IDFHRHNVSMESEO-FUHWJXTLSA-N 2 2 333.451 2.200 10 0 EEAELP COc1c[nH+]ccc1N1CCN(Cc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000342851006 161095728 /nfs/dbraw/zinc/09/57/28/161095728.db2.gz ZLZQGOXYHYMJPM-UHFFFAOYSA-N 2 2 337.427 2.369 10 0 EEAELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1nc2c(s1)CCC2 ZINC000343565944 161147401 /nfs/dbraw/zinc/14/74/01/161147401.db2.gz KDUFETYROYIBJI-UHFFFAOYSA-N 2 2 348.516 2.378 10 0 EEAELP CC(C)n1nnnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000369650557 166304439 /nfs/dbraw/zinc/30/44/39/166304439.db2.gz WRCJDRYNJQRNAT-RDJZCZTQSA-N 2 2 328.464 2.254 10 0 EEAELP CC(C)n1nnnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000369650557 166304442 /nfs/dbraw/zinc/30/44/42/166304442.db2.gz WRCJDRYNJQRNAT-RDJZCZTQSA-N 2 2 328.464 2.254 10 0 EEAELP COC1(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCC1 ZINC000376067280 167254004 /nfs/dbraw/zinc/25/40/04/167254004.db2.gz MGJRTNHAEHJJNO-XYTVBORESA-N 2 2 337.508 2.007 10 0 EEAELP COC1(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCC1 ZINC000376067280 167254008 /nfs/dbraw/zinc/25/40/08/167254008.db2.gz MGJRTNHAEHJJNO-XYTVBORESA-N 2 2 337.508 2.007 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)C2 ZINC000376625102 167362935 /nfs/dbraw/zinc/36/29/35/167362935.db2.gz CYJIJZPXKLXIAF-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)CC2 ZINC000376625102 167362937 /nfs/dbraw/zinc/36/29/37/167362937.db2.gz CYJIJZPXKLXIAF-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000122759911 222151857 /nfs/dbraw/zinc/15/18/57/222151857.db2.gz WAGMWDOPYKOZCE-KRWDZBQOSA-N 2 2 345.491 2.082 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)C1CC1 ZINC000289350883 275110993 /nfs/dbraw/zinc/11/09/93/275110993.db2.gz HFLFPNQTJNRSSV-IBGZPJMESA-N 2 2 347.478 2.108 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)C1CC1 ZINC000289350883 275110994 /nfs/dbraw/zinc/11/09/94/275110994.db2.gz HFLFPNQTJNRSSV-IBGZPJMESA-N 2 2 347.478 2.108 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000175541849 279173651 /nfs/dbraw/zinc/17/36/51/279173651.db2.gz OKYJDMXYTLCIQK-HZPDHXFCSA-N 2 2 345.447 2.261 10 0 EEAELP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCC4(CCOCC4)[C@@H]3O)n2c1 ZINC000282657899 292847032 /nfs/dbraw/zinc/84/70/32/292847032.db2.gz IJNWZWASLRZGRD-CRAIPNDOSA-N 2 2 329.444 2.300 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(Cc3cn4cc(Cl)ccc4[nH+]3)[C@H]2C1 ZINC000293291669 293172052 /nfs/dbraw/zinc/17/20/52/293172052.db2.gz OUDBXRYNCISVGZ-JKSUJKDBSA-N 2 2 334.851 2.283 10 0 EEAELP CC[N@H+]1CC[C@H]2OCCN(Cc3cn4cc(Cl)ccc4[nH+]3)[C@H]2C1 ZINC000293291669 293172058 /nfs/dbraw/zinc/17/20/58/293172058.db2.gz OUDBXRYNCISVGZ-JKSUJKDBSA-N 2 2 334.851 2.283 10 0 EEAELP C[C@@H](C[NH+]1CCCCCC1)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000302475124 294955269 /nfs/dbraw/zinc/95/52/69/294955269.db2.gz XEASBCRHZWYYRW-JKSUJKDBSA-N 2 2 333.480 2.114 10 0 EEAELP [NH3+]C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000420370926 295243881 /nfs/dbraw/zinc/24/38/81/295243881.db2.gz PGZBVOWLFPGFRO-ZIAGYGMSSA-N 2 2 335.414 2.285 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414746185 313075725 /nfs/dbraw/zinc/07/57/25/313075725.db2.gz QKMWTMWWOLBYAM-CYBMUJFWSA-N 2 2 337.430 2.497 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414746185 313075727 /nfs/dbraw/zinc/07/57/27/313075727.db2.gz QKMWTMWWOLBYAM-CYBMUJFWSA-N 2 2 337.430 2.497 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000416861908 313339023 /nfs/dbraw/zinc/33/90/23/313339023.db2.gz XLHOZOXBACOFAM-BBRMVZONSA-N 2 2 329.448 2.032 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000416861909 313339037 /nfs/dbraw/zinc/33/90/37/313339037.db2.gz XLHOZOXBACOFAM-CJNGLKHVSA-N 2 2 329.448 2.032 10 0 EEAELP C[NH2+]CCC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000417071169 313413179 /nfs/dbraw/zinc/41/31/79/313413179.db2.gz GTEGUCHSXJWQAN-UHFFFAOYSA-N 2 2 345.491 2.082 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000430859770 314585160 /nfs/dbraw/zinc/58/51/60/314585160.db2.gz YRLVPTTZNKHJKV-DLBZAZTESA-N 2 2 334.508 2.034 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000547363278 318282103 /nfs/dbraw/zinc/28/21/03/318282103.db2.gz WHRRIAJRNBFDNM-IJEWVQPXSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000547363278 318282106 /nfs/dbraw/zinc/28/21/06/318282106.db2.gz WHRRIAJRNBFDNM-IJEWVQPXSA-N 2 2 342.443 2.497 10 0 EEAELP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)COc1ccccc1F ZINC000558751031 318730568 /nfs/dbraw/zinc/73/05/68/318730568.db2.gz YPCDJDNELQZRDV-INIZCTEOSA-N 2 2 345.418 2.219 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000565694671 319204727 /nfs/dbraw/zinc/20/47/27/319204727.db2.gz SYLOVTCUZXFDCA-JKSUJKDBSA-N 2 2 333.480 2.114 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000565694671 319204728 /nfs/dbraw/zinc/20/47/28/319204728.db2.gz SYLOVTCUZXFDCA-JKSUJKDBSA-N 2 2 333.480 2.114 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1ccc2ccccc2c1 ZINC000566129364 319248957 /nfs/dbraw/zinc/24/89/57/319248957.db2.gz CMSQWHDECJSMIX-DLBZAZTESA-N 2 2 337.423 2.450 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COc1ccc2ccccc2c1 ZINC000566129364 319248959 /nfs/dbraw/zinc/24/89/59/319248959.db2.gz CMSQWHDECJSMIX-DLBZAZTESA-N 2 2 337.423 2.450 10 0 EEAELP FC(F)C(F)(F)CN1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000566351373 319277648 /nfs/dbraw/zinc/27/76/48/319277648.db2.gz WNDLPHRIAUHNSJ-UHFFFAOYSA-N 2 2 345.384 2.350 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)c1 ZINC000567696936 319406496 /nfs/dbraw/zinc/40/64/96/319406496.db2.gz LAOVUSCTHKJKRQ-CQSZACIVSA-N 2 2 327.350 2.175 10 0 EEAELP C[C@@H]([NH3+])c1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000572359652 319838842 /nfs/dbraw/zinc/83/88/42/319838842.db2.gz SAXWIRNZBQYMAE-SNVBAGLBSA-N 2 2 326.322 2.395 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c2[nH+]ccn21 ZINC000572601562 319860563 /nfs/dbraw/zinc/86/05/63/319860563.db2.gz CSKZPCDQECBXFH-OIISXLGYSA-N 2 2 341.459 2.361 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000576119389 320143374 /nfs/dbraw/zinc/14/33/74/320143374.db2.gz IGJKDNPXMSWAAL-ZDUSSCGKSA-N 2 2 332.366 2.477 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000576119389 320143375 /nfs/dbraw/zinc/14/33/75/320143375.db2.gz IGJKDNPXMSWAAL-ZDUSSCGKSA-N 2 2 332.366 2.477 10 0 EEAELP CN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1C[NH+]2CCC1CC2 ZINC000577121703 320233742 /nfs/dbraw/zinc/23/37/42/320233742.db2.gz GRUAOJRBBRUZFR-STQMWFEESA-N 2 2 344.381 2.009 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C1CC1 ZINC000577614924 320266078 /nfs/dbraw/zinc/26/60/78/320266078.db2.gz YPZIYQAJPUFRSG-KXBFYZLASA-N 2 2 344.503 2.201 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C1CC1 ZINC000577614924 320266080 /nfs/dbraw/zinc/26/60/80/320266080.db2.gz YPZIYQAJPUFRSG-KXBFYZLASA-N 2 2 344.503 2.201 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000182791917 323388288 /nfs/dbraw/zinc/38/82/88/323388288.db2.gz OXJVWWOKQDXROS-YOEHRIQHSA-N 2 2 328.403 2.353 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000182791917 323388290 /nfs/dbraw/zinc/38/82/90/323388290.db2.gz OXJVWWOKQDXROS-YOEHRIQHSA-N 2 2 328.403 2.353 10 0 EEAELP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000580999654 324166416 /nfs/dbraw/zinc/16/64/16/324166416.db2.gz WYBHLDMIDGZYEI-CHWSQXEVSA-N 2 2 337.493 2.330 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N(C)CC3C[NH+](C)C3)c2)cc[nH+]1 ZINC000618191939 450046808 /nfs/dbraw/zinc/04/68/08/450046808.db2.gz XWSNYIHJEQGSMW-UHFFFAOYSA-N 2 2 339.443 2.031 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624392634 450828479 /nfs/dbraw/zinc/82/84/79/450828479.db2.gz VWXAGEFDEDUECL-UHFFFAOYSA-N 3 2 326.448 2.178 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624392634 450828484 /nfs/dbraw/zinc/82/84/84/450828484.db2.gz VWXAGEFDEDUECL-UHFFFAOYSA-N 3 2 326.448 2.178 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288081 465093893 /nfs/dbraw/zinc/09/38/93/465093893.db2.gz MBVVWIMKUPGFQX-FXAWDEMLSA-N 3 2 331.504 2.243 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288081 465093900 /nfs/dbraw/zinc/09/39/00/465093900.db2.gz MBVVWIMKUPGFQX-FXAWDEMLSA-N 3 2 331.504 2.243 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000339223900 465150026 /nfs/dbraw/zinc/15/00/26/465150026.db2.gz FNZPZMJZTKQWFQ-SFHVURJKSA-N 2 2 329.444 2.466 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1conc1Cc1ccccc1 ZINC000339223900 465150029 /nfs/dbraw/zinc/15/00/29/465150029.db2.gz FNZPZMJZTKQWFQ-SFHVURJKSA-N 2 2 329.444 2.466 10 0 EEAELP COc1c(N)[nH+]cnc1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000521271293 468301324 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2.112 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)N2CC[NH+](C3CC3)CC2)[NH+]2CCCC2)o1 ZINC000089652504 462704129 /nfs/dbraw/zinc/70/41/29/462704129.db2.gz JSFUNBWFXJCXCJ-QGZVFWFLSA-N 2 2 346.475 2.215 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)N1CCC([NH+]2CCCC2)CC1 ZINC000046944034 462722145 /nfs/dbraw/zinc/72/21/45/462722145.db2.gz BIOUSRYSKXQCQD-UHFFFAOYSA-N 2 2 331.464 2.153 10 0 EEAELP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000075602474 462737391 /nfs/dbraw/zinc/73/73/91/462737391.db2.gz UNRCMJHHQXMUJU-INIZCTEOSA-N 2 2 336.399 2.250 10 0 EEAELP Cc1ccc([C@@H](CNc2cc[nH+]c(N(C)C)n2)[NH+]2CCOCC2)cc1 ZINC000077192499 462949463 /nfs/dbraw/zinc/94/94/63/462949463.db2.gz YJNLLYQTDWWVBJ-QGZVFWFLSA-N 2 2 341.459 2.336 10 0 EEAELP O=C(C[N@H+]1CCc2c(Cl)cccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000133786718 462970041 /nfs/dbraw/zinc/97/00/41/462970041.db2.gz HRKANNJFWUGAGI-UHFFFAOYSA-N 2 2 347.890 2.441 10 0 EEAELP O=C(C[N@@H+]1CCc2c(Cl)cccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000133786718 462970044 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345.491 2.078 10 0 EEAELP Fc1cc(C[NH2+]C[C@@H]2CNc3ccnn3C2)ccc1-n1cc[nH+]c1 ZINC000069458567 463251991 /nfs/dbraw/zinc/25/19/91/463251991.db2.gz DIFXADCNDBRCKK-CQSZACIVSA-N 2 2 326.379 2.039 10 0 EEAELP COc1ccccc1[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+]1CCCC1 ZINC000553177970 468353843 /nfs/dbraw/zinc/35/38/43/468353843.db2.gz XFMFUFKNOKREPQ-KRWDZBQOSA-N 2 2 345.487 2.290 10 0 EEAELP Cc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000105862854 463479940 /nfs/dbraw/zinc/47/99/40/463479940.db2.gz AJEZDVSITWAIJV-GOSISDBHSA-N 2 2 344.459 2.255 10 0 EEAELP Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000105862854 463479944 /nfs/dbraw/zinc/47/99/44/463479944.db2.gz AJEZDVSITWAIJV-GOSISDBHSA-N 2 2 344.459 2.255 10 0 EEAELP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875637 463484433 /nfs/dbraw/zinc/48/44/33/463484433.db2.gz MGDOQLDSVIBVDB-NVXWUHKLSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151276584 463505046 /nfs/dbraw/zinc/50/50/46/463505046.db2.gz IUEKWMPKAJDMOD-MJGOQNOKSA-N 3 2 349.519 2.124 10 0 EEAELP O=C1[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCN1c1ccccc1F ZINC000084505978 463608414 /nfs/dbraw/zinc/60/84/14/463608414.db2.gz XMQXTVFEGMJCIM-UKRRQHHQSA-N 2 2 328.391 2.295 10 0 EEAELP C[C@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC[NH2+]CC1 ZINC000165233731 463641767 /nfs/dbraw/zinc/64/17/67/463641767.db2.gz SQUFBKXSWLNHNA-OAHLLOKOSA-N 2 2 330.476 2.192 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000568659781 468370457 /nfs/dbraw/zinc/37/04/57/468370457.db2.gz JSKGKWLMOPBPIX-QAETUUGQSA-N 2 2 340.508 2.274 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000568659781 468370464 /nfs/dbraw/zinc/37/04/64/468370464.db2.gz JSKGKWLMOPBPIX-QAETUUGQSA-N 2 2 340.508 2.274 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000568659781 468370467 /nfs/dbraw/zinc/37/04/67/468370467.db2.gz JSKGKWLMOPBPIX-QAETUUGQSA-N 2 2 340.508 2.274 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000568659781 468370474 /nfs/dbraw/zinc/37/04/74/468370474.db2.gz JSKGKWLMOPBPIX-QAETUUGQSA-N 2 2 340.508 2.274 10 0 EEAELP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000261614370 463802130 /nfs/dbraw/zinc/80/21/30/463802130.db2.gz FFIXPHWTTDDCIA-KRWDZBQOSA-N 2 2 330.476 2.464 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000277097918 463873351 /nfs/dbraw/zinc/87/33/51/463873351.db2.gz VYJIMXWEZWJPRN-GOSISDBHSA-N 2 2 341.455 2.476 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000277097918 463873356 /nfs/dbraw/zinc/87/33/56/463873356.db2.gz VYJIMXWEZWJPRN-GOSISDBHSA-N 2 2 341.455 2.476 10 0 EEAELP [NH3+]Cc1nc(C[N@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)no1 ZINC000261869996 463883668 /nfs/dbraw/zinc/88/36/68/463883668.db2.gz XGSSHSZPXLYZRD-UHFFFAOYSA-N 2 2 328.416 2.408 10 0 EEAELP [NH3+]Cc1nc(C[N@@H+](Cc2ccc3c(c2)CCO3)C2CCCC2)no1 ZINC000261869996 463883676 /nfs/dbraw/zinc/88/36/76/463883676.db2.gz XGSSHSZPXLYZRD-UHFFFAOYSA-N 2 2 328.416 2.408 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000178747942 463961297 /nfs/dbraw/zinc/96/12/97/463961297.db2.gz GGTATKRUUMFNGQ-CQSZACIVSA-N 2 2 333.823 2.343 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000178747942 463961298 /nfs/dbraw/zinc/96/12/98/463961298.db2.gz GGTATKRUUMFNGQ-CQSZACIVSA-N 2 2 333.823 2.343 10 0 EEAELP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000187793221 464163268 /nfs/dbraw/zinc/16/32/68/464163268.db2.gz XMDWXUIGLAWMPJ-FQEVSTJZSA-N 2 2 348.487 2.050 10 0 EEAELP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)co1 ZINC000188199028 464222594 /nfs/dbraw/zinc/22/25/94/464222594.db2.gz DZNJWQCWNPHWLD-ZDUSSCGKSA-N 2 2 349.381 2.411 10 0 EEAELP [NH3+]Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)co1 ZINC000188199028 464222602 /nfs/dbraw/zinc/22/26/02/464222602.db2.gz DZNJWQCWNPHWLD-ZDUSSCGKSA-N 2 2 349.381 2.411 10 0 EEAELP C[C@@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237402135 464314310 /nfs/dbraw/zinc/31/43/10/464314310.db2.gz FYPZJAHQMBHADN-HOTGVXAUSA-N 2 2 330.476 2.192 10 0 EEAELP COc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000264617839 464397479 /nfs/dbraw/zinc/39/74/79/464397479.db2.gz PZUMPUIPCAFWFD-SFHVURJKSA-N 2 2 335.467 2.436 10 0 EEAELP COc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000264617839 464397488 /nfs/dbraw/zinc/39/74/88/464397488.db2.gz PZUMPUIPCAFWFD-SFHVURJKSA-N 2 2 335.467 2.436 10 0 EEAELP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@@H+]1CCC[C@H](C)C1 ZINC000272205836 464518452 /nfs/dbraw/zinc/51/84/52/464518452.db2.gz IDDNAPDEDJNFRT-LSDHHAIUSA-N 2 2 327.432 2.118 10 0 EEAELP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@H+]1CCC[C@H](C)C1 ZINC000272205836 464518456 /nfs/dbraw/zinc/51/84/56/464518456.db2.gz IDDNAPDEDJNFRT-LSDHHAIUSA-N 2 2 327.432 2.118 10 0 EEAELP CCO[C@@H]1C[C@@]([NH2+]CCCCn2cc[nH+]c2C)(C(=O)OC)C1(C)C ZINC000189849730 464556948 /nfs/dbraw/zinc/55/69/48/464556948.db2.gz HKLWYVYASQDCQU-CRAIPNDOSA-N 2 2 337.464 2.308 10 0 EEAELP CCc1nn(C)c(Cl)c1C[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275413354 464773139 /nfs/dbraw/zinc/77/31/39/464773139.db2.gz DFNCNSZSBFXRCL-XHDPSFHLSA-N 2 2 337.855 2.379 10 0 EEAELP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000282362551 464788583 /nfs/dbraw/zinc/78/85/83/464788583.db2.gz YUVSNQKTBYTJRG-MRXNPFEDSA-N 2 2 342.443 2.015 10 0 EEAELP CCOc1ccccc1C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C)C1 ZINC000282362551 464788588 /nfs/dbraw/zinc/78/85/88/464788588.db2.gz YUVSNQKTBYTJRG-MRXNPFEDSA-N 2 2 342.443 2.015 10 0 EEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000250225853 464928085 /nfs/dbraw/zinc/92/80/85/464928085.db2.gz GLOSWPPBWLEJGF-CABCVRRESA-N 2 2 349.475 2.495 10 0 EEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000250225853 464928090 /nfs/dbraw/zinc/92/80/90/464928090.db2.gz GLOSWPPBWLEJGF-CABCVRRESA-N 2 2 349.475 2.495 10 0 EEAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177126666 464937820 /nfs/dbraw/zinc/93/78/20/464937820.db2.gz RIWWCZKVMZLMJH-KRWDZBQOSA-N 2 2 349.442 2.158 10 0 EEAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000177126666 464937826 /nfs/dbraw/zinc/93/78/26/464937826.db2.gz RIWWCZKVMZLMJH-KRWDZBQOSA-N 2 2 349.442 2.158 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000337374813 465334615 /nfs/dbraw/zinc/33/46/15/465334615.db2.gz ULWLERXKXUMVQU-KZNAEPCWSA-N 2 2 345.487 2.001 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000337374813 465334620 /nfs/dbraw/zinc/33/46/20/465334620.db2.gz ULWLERXKXUMVQU-KZNAEPCWSA-N 2 2 345.487 2.001 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348326469 465551686 /nfs/dbraw/zinc/55/16/86/465551686.db2.gz YQRWTQNTVWWKNW-QWHCGFSZSA-N 2 2 338.415 2.488 10 0 EEAELP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000569109151 468441308 /nfs/dbraw/zinc/44/13/08/468441308.db2.gz YMJCQGZNNJFDQF-HNNXBMFYSA-N 2 2 327.432 2.123 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cnc2n1 ZINC000371469868 465818337 /nfs/dbraw/zinc/81/83/37/465818337.db2.gz HCIOPLDBBDBTFH-BPQIPLTHSA-N 2 2 343.475 2.030 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cnc2n1 ZINC000371469868 465818343 /nfs/dbraw/zinc/81/83/43/465818343.db2.gz HCIOPLDBBDBTFH-BPQIPLTHSA-N 2 2 343.475 2.030 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000346189147 465974294 /nfs/dbraw/zinc/97/42/94/465974294.db2.gz CMEOUNCLORVVAP-QGZVFWFLSA-N 3 2 325.460 2.493 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000346189147 465974303 /nfs/dbraw/zinc/97/43/03/465974303.db2.gz CMEOUNCLORVVAP-QGZVFWFLSA-N 3 2 325.460 2.493 10 0 EEAELP O=C(C[NH2+]Cc1cccc(O)c1Cl)NCC[NH+]1CCCCCC1 ZINC000353671530 466056050 /nfs/dbraw/zinc/05/60/50/466056050.db2.gz OBSOAMATPXMNKT-UHFFFAOYSA-N 2 2 339.867 2.127 10 0 EEAELP C[C@@H](C[NH+]1CCCCCC1)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000302475120 466144948 /nfs/dbraw/zinc/14/49/48/466144948.db2.gz XEASBCRHZWYYRW-HOTGVXAUSA-N 2 2 333.480 2.114 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000367385544 466306629 /nfs/dbraw/zinc/30/66/29/466306629.db2.gz YWRHRNUOFMTHIK-KRWDZBQOSA-N 2 2 331.464 2.396 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000367385544 466306632 /nfs/dbraw/zinc/30/66/32/466306632.db2.gz YWRHRNUOFMTHIK-KRWDZBQOSA-N 2 2 331.464 2.396 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)C2 ZINC000372402724 466354663 /nfs/dbraw/zinc/35/46/63/466354663.db2.gz YBVRWEHIXOXDCU-VBQJREDUSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C2 ZINC000372402724 466354666 /nfs/dbraw/zinc/35/46/66/466354666.db2.gz YBVRWEHIXOXDCU-VBQJREDUSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)CC2 ZINC000372402724 466354670 /nfs/dbraw/zinc/35/46/70/466354670.db2.gz YBVRWEHIXOXDCU-VBQJREDUSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)CC2 ZINC000372402724 466354671 /nfs/dbraw/zinc/35/46/71/466354671.db2.gz YBVRWEHIXOXDCU-VBQJREDUSA-N 2 2 332.492 2.437 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000358014725 466388592 /nfs/dbraw/zinc/38/85/92/466388592.db2.gz CWFWBWLBEHDYGN-OXJNMPFZSA-N 2 2 337.467 2.469 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000358014725 466388599 /nfs/dbraw/zinc/38/85/99/466388599.db2.gz CWFWBWLBEHDYGN-OXJNMPFZSA-N 2 2 337.467 2.469 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000354361637 466505686 /nfs/dbraw/zinc/50/56/86/466505686.db2.gz IWJIUUZYLFQSQP-UHFFFAOYSA-N 2 2 326.444 2.180 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000354361637 466505695 /nfs/dbraw/zinc/50/56/95/466505695.db2.gz IWJIUUZYLFQSQP-UHFFFAOYSA-N 2 2 326.444 2.180 10 0 EEAELP CC(C)n1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000363645182 466530051 /nfs/dbraw/zinc/53/00/51/466530051.db2.gz CEZHFFYMEGVKSI-UHFFFAOYSA-N 2 2 347.507 2.144 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417943142 466996085 /nfs/dbraw/zinc/99/60/85/466996085.db2.gz OMGLPAVILMUDGG-LSDHHAIUSA-N 2 2 342.846 2.085 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417943142 466996089 /nfs/dbraw/zinc/99/60/89/466996089.db2.gz OMGLPAVILMUDGG-LSDHHAIUSA-N 2 2 342.846 2.085 10 0 EEAELP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945140 466997480 /nfs/dbraw/zinc/99/74/80/466997480.db2.gz QTELUPJWHXPARV-CABCVRRESA-N 2 2 342.846 2.133 10 0 EEAELP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945140 466997485 /nfs/dbraw/zinc/99/74/85/466997485.db2.gz QTELUPJWHXPARV-CABCVRRESA-N 2 2 342.846 2.133 10 0 EEAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000424270183 467018375 /nfs/dbraw/zinc/01/83/75/467018375.db2.gz QFMUIYMVRDXDNZ-IFLJBQAJSA-N 2 2 344.499 2.199 10 0 EEAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000424270183 467018380 /nfs/dbraw/zinc/01/83/80/467018380.db2.gz QFMUIYMVRDXDNZ-IFLJBQAJSA-N 2 2 344.499 2.199 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004302 467018919 /nfs/dbraw/zinc/01/89/19/467018919.db2.gz YVHFPAIAPUMSSO-VQISRLSMSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004302 467018924 /nfs/dbraw/zinc/01/89/24/467018924.db2.gz YVHFPAIAPUMSSO-VQISRLSMSA-N 2 2 342.846 2.261 10 0 EEAELP F[C@]1(c2ccccc2)C[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000424331662 467030817 /nfs/dbraw/zinc/03/08/17/467030817.db2.gz SCFGZSLISIASSR-UXHICEINSA-N 2 2 347.478 2.010 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000418595447 467133938 /nfs/dbraw/zinc/13/39/38/467133938.db2.gz ADKRLDNOJHOIII-CQSZACIVSA-N 2 2 338.521 2.136 10 0 EEAELP C[C@@H](O)CNc1[nH+]c2ccccc2n1CC[N@H+](C)Cc1ccccc1 ZINC000418759463 467155622 /nfs/dbraw/zinc/15/56/22/467155622.db2.gz IFGWRLOPXVXHAT-MRXNPFEDSA-N 2 2 338.455 2.961 10 0 EEAELP C[C@@H](O)CNc1[nH+]c2ccccc2n1CC[N@@H+](C)Cc1ccccc1 ZINC000418759463 467155623 /nfs/dbraw/zinc/15/56/23/467155623.db2.gz IFGWRLOPXVXHAT-MRXNPFEDSA-N 2 2 338.455 2.961 10 0 EEAELP CC(C)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000378069779 467190621 /nfs/dbraw/zinc/19/06/21/467190621.db2.gz CITRBMNHPDLLEJ-IIDMSEBBSA-N 2 2 348.491 2.250 10 0 EEAELP CC(C)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000378069779 467190623 /nfs/dbraw/zinc/19/06/23/467190623.db2.gz CITRBMNHPDLLEJ-IIDMSEBBSA-N 2 2 348.491 2.250 10 0 EEAELP Cc1cnc([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000428302673 467220732 /nfs/dbraw/zinc/22/07/32/467220732.db2.gz FEMWQXDQJHPQFC-XNHLSEOASA-N 2 2 329.492 2.089 10 0 EEAELP Cc1cnc([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000428302673 467220737 /nfs/dbraw/zinc/22/07/37/467220737.db2.gz FEMWQXDQJHPQFC-XNHLSEOASA-N 2 2 329.492 2.089 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000428302673 467220740 /nfs/dbraw/zinc/22/07/40/467220740.db2.gz FEMWQXDQJHPQFC-XNHLSEOASA-N 2 2 329.492 2.089 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000428302673 467220745 /nfs/dbraw/zinc/22/07/45/467220745.db2.gz FEMWQXDQJHPQFC-XNHLSEOASA-N 2 2 329.492 2.089 10 0 EEAELP O=C1[C@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420391143 467392002 /nfs/dbraw/zinc/39/20/02/467392002.db2.gz YQVNQQGBSZROIC-IEBWSBKVSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420391143 467392004 /nfs/dbraw/zinc/39/20/04/467392004.db2.gz YQVNQQGBSZROIC-IEBWSBKVSA-N 2 2 331.435 2.397 10 0 EEAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000449357252 467633128 /nfs/dbraw/zinc/63/31/28/467633128.db2.gz KQOZMOFABXEUNP-INIZCTEOSA-N 2 2 330.453 2.483 10 0 EEAELP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393098 467636775 /nfs/dbraw/zinc/63/67/75/467636775.db2.gz AWCDEXYBDFVYDU-KRWDZBQOSA-N 2 2 328.460 2.117 10 0 EEAELP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393098 467636777 /nfs/dbraw/zinc/63/67/77/467636777.db2.gz AWCDEXYBDFVYDU-KRWDZBQOSA-N 2 2 328.460 2.117 10 0 EEAELP C[C@@H]1C[C@@H](CCNC(=O)Cn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000548895778 468154479 /nfs/dbraw/zinc/15/44/79/468154479.db2.gz JMAFOHZOAHIBQD-SJLPKXTDSA-N 2 2 326.444 2.300 10 0 EEAELP C[C@@H]1C[C@@H](CCNC(=O)Cn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000548895778 468154484 /nfs/dbraw/zinc/15/44/84/468154484.db2.gz JMAFOHZOAHIBQD-SJLPKXTDSA-N 2 2 326.444 2.300 10 0 EEAELP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000567849015 468222629 /nfs/dbraw/zinc/22/26/29/468222629.db2.gz IVUYRVORBYABDW-IEBWSBKVSA-N 2 2 333.451 2.201 10 0 EEAELP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000567849015 468222635 /nfs/dbraw/zinc/22/26/35/468222635.db2.gz IVUYRVORBYABDW-IEBWSBKVSA-N 2 2 333.451 2.201 10 0 EEAELP Cc1nc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000582664643 468574795 /nfs/dbraw/zinc/57/47/95/468574795.db2.gz LHPACGOKVFUVRX-KRWDZBQOSA-N 2 2 325.460 2.442 10 0 EEAELP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000582664643 468574798 /nfs/dbraw/zinc/57/47/98/468574798.db2.gz LHPACGOKVFUVRX-KRWDZBQOSA-N 2 2 325.460 2.442 10 0 EEAELP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000582664643 468574800 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ZINC000647901189 471012339 /nfs/dbraw/zinc/01/23/39/471012339.db2.gz KONSWUGZZHATSX-NZSAHSFTSA-N 2 2 329.488 2.198 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901189 471012342 /nfs/dbraw/zinc/01/23/42/471012342.db2.gz KONSWUGZZHATSX-NZSAHSFTSA-N 2 2 329.488 2.198 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000657401250 471126551 /nfs/dbraw/zinc/12/65/51/471126551.db2.gz TWLJIEZOQSQYFU-IEBWSBKVSA-N 2 2 332.492 2.155 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000654845405 471200373 /nfs/dbraw/zinc/20/03/73/471200373.db2.gz NBRHZHMAIPGAHL-WBVHZDCISA-N 2 2 326.444 2.162 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000654845405 471200379 /nfs/dbraw/zinc/20/03/79/471200379.db2.gz NBRHZHMAIPGAHL-WBVHZDCISA-N 2 2 326.444 2.162 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)n1 ZINC000657800693 471235594 /nfs/dbraw/zinc/23/55/94/471235594.db2.gz IDBKIICZCVOQSM-SFHVURJKSA-N 2 2 340.471 2.001 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)n1 ZINC000657800693 471235597 /nfs/dbraw/zinc/23/55/97/471235597.db2.gz IDBKIICZCVOQSM-SFHVURJKSA-N 2 2 340.471 2.001 10 0 EEAELP C[C@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1[nH+]ccn1C ZINC000663443645 471379405 /nfs/dbraw/zinc/37/94/05/471379405.db2.gz HGYBYNDQGSDIQC-SWLSCSKDSA-N 2 2 333.411 2.222 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655724510 471457134 /nfs/dbraw/zinc/45/71/34/471457134.db2.gz ZBLDJKWJJDGGMY-QZTJIDSGSA-N 2 2 345.487 2.117 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659029312 471474014 /nfs/dbraw/zinc/47/40/14/471474014.db2.gz HFSYJJXCCZHUKN-QGZVFWFLSA-N 2 2 343.431 2.146 10 0 EEAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653124097 471500388 /nfs/dbraw/zinc/50/03/88/471500388.db2.gz QQHLIZJGPZCYCK-ZWKOTPCHSA-N 2 2 338.455 2.273 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669496488 471521859 /nfs/dbraw/zinc/52/18/59/471521859.db2.gz ZVQSBMXFVBYSAQ-IAGOWNOFSA-N 2 2 347.507 2.460 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000670079469 471671503 /nfs/dbraw/zinc/67/15/03/471671503.db2.gz USOPVPWYDMQDHK-UHFFFAOYSA-N 2 2 345.491 2.346 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000659620950 471702032 /nfs/dbraw/zinc/70/20/32/471702032.db2.gz RDTNKZNWWXUYQG-DOTOQJQBSA-N 2 2 347.507 2.482 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)cn21 ZINC000661349409 471724589 /nfs/dbraw/zinc/72/45/89/471724589.db2.gz KYCWWYILAAWYDY-MRXNPFEDSA-N 2 2 343.475 2.357 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660338968 471950369 /nfs/dbraw/zinc/95/03/69/471950369.db2.gz FTZXKFODIYTIOS-UHFFFAOYSA-N 2 2 345.491 2.069 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)cc1Cl ZINC000665153191 471957915 /nfs/dbraw/zinc/95/79/15/471957915.db2.gz VXWXZWWVHATOFU-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)cc1Cl ZINC000665153191 471957920 /nfs/dbraw/zinc/95/79/20/471957920.db2.gz VXWXZWWVHATOFU-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP Cc1ccc([C@@H]2C[C@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000665207331 471968763 /nfs/dbraw/zinc/96/87/63/471968763.db2.gz JDOPGPTUQFYRID-ZWKOTPCHSA-N 2 2 332.492 2.034 10 0 EEAELP Cc1ccc([C@@H]2C[C@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000665207331 471968767 /nfs/dbraw/zinc/96/87/67/471968767.db2.gz JDOPGPTUQFYRID-ZWKOTPCHSA-N 2 2 332.492 2.034 10 0 EEAELP CCN(C(=O)NCCc1cn2c(cccc2C)[nH+]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000665217020 471971692 /nfs/dbraw/zinc/97/16/92/471971692.db2.gz VUSMIUQWQYOMHN-QGZVFWFLSA-N 2 2 343.475 2.311 10 0 EEAELP C[C@H](CCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C)[NH+](C)C ZINC000665231445 471974978 /nfs/dbraw/zinc/97/49/78/471974978.db2.gz MELHCCQEJBRQNZ-WBVHZDCISA-N 2 2 343.475 2.343 10 0 EEAELP CCO[C@H](C)c1nc(C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662261715 472048007 /nfs/dbraw/zinc/04/80/07/472048007.db2.gz AFAPETHLZLCZIW-TZMCWYRMSA-N 2 2 325.478 2.193 10 0 EEAELP CCO[C@H](C)c1nc(C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662261715 472048010 /nfs/dbraw/zinc/04/80/10/472048010.db2.gz AFAPETHLZLCZIW-TZMCWYRMSA-N 2 2 325.478 2.193 10 0 EEAELP O[C@@H]([C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668225018 472051229 /nfs/dbraw/zinc/05/12/29/472051229.db2.gz BZAMWLALLUTSSU-RISCZKNCSA-N 2 2 326.322 2.012 10 0 EEAELP O[C@@H]([C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668225018 472051234 /nfs/dbraw/zinc/05/12/34/472051234.db2.gz BZAMWLALLUTSSU-RISCZKNCSA-N 2 2 326.322 2.012 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276371 472052695 /nfs/dbraw/zinc/05/26/95/472052695.db2.gz IESCPKSPFNNANJ-CRAIPNDOSA-N 2 2 333.451 2.025 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC000662335735 472076325 /nfs/dbraw/zinc/07/63/25/472076325.db2.gz PMRSDFVSXIIUJS-SUYBPPKGSA-N 2 2 328.403 2.482 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC000662335735 472076327 /nfs/dbraw/zinc/07/63/27/472076327.db2.gz PMRSDFVSXIIUJS-SUYBPPKGSA-N 2 2 328.403 2.482 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673664466 485492370 /nfs/dbraw/zinc/49/23/70/485492370.db2.gz AQBYNTYKQPUVOX-LMMKCTJWSA-N 2 2 344.503 2.425 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673664466 485492377 /nfs/dbraw/zinc/49/23/77/485492377.db2.gz AQBYNTYKQPUVOX-LMMKCTJWSA-N 2 2 344.503 2.425 10 0 EEAELP C[NH+]1CCC(CC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000680357801 485949178 /nfs/dbraw/zinc/94/91/78/485949178.db2.gz MWOKNMJLSUMKNE-UHFFFAOYSA-N 2 2 326.444 2.280 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000671721225 485985397 /nfs/dbraw/zinc/98/53/97/485985397.db2.gz SXYQDECRTJYSTK-MCIONIFRSA-N 2 2 347.425 2.250 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000671721225 485985402 /nfs/dbraw/zinc/98/54/02/485985402.db2.gz SXYQDECRTJYSTK-MCIONIFRSA-N 2 2 347.425 2.250 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000675782627 486067406 /nfs/dbraw/zinc/06/74/06/486067406.db2.gz WDKRGWROTXUBSC-LLVKDONJSA-N 2 2 330.259 2.418 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000074156201 490590854 /nfs/dbraw/zinc/59/08/54/490590854.db2.gz QLOMURUMLSBTCJ-QGZVFWFLSA-N 2 2 326.444 2.162 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000576451903 490655321 /nfs/dbraw/zinc/65/53/21/490655321.db2.gz PKTWLBOJBODEBZ-QIIPPGSGSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000576451903 490655323 /nfs/dbraw/zinc/65/53/23/490655323.db2.gz PKTWLBOJBODEBZ-QIIPPGSGSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000173761090 534093919 /nfs/dbraw/zinc/09/39/19/534093919.db2.gz UEAKOVISASXINJ-RDJZCZTQSA-N 2 2 345.491 2.306 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000173761090 534093925 /nfs/dbraw/zinc/09/39/25/534093925.db2.gz UEAKOVISASXINJ-RDJZCZTQSA-N 2 2 345.491 2.306 10 0 EEAELP CC(C)[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000438484157 535197762 /nfs/dbraw/zinc/19/77/62/535197762.db2.gz PYTJQFIBKIROIN-INIZCTEOSA-N 2 2 335.517 2.370 10 0 EEAELP CC(C)[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000438484157 535197765 /nfs/dbraw/zinc/19/77/65/535197765.db2.gz PYTJQFIBKIROIN-INIZCTEOSA-N 2 2 335.517 2.370 10 0 EEAELP CCCC[C@@H](COC)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000475045294 535358792 /nfs/dbraw/zinc/35/87/92/535358792.db2.gz CXRLCZBYIGVEAM-JYJNAYRXSA-N 2 2 326.460 2.127 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CC(C)(C)COC)CC2)CC1 ZINC000422018837 535462927 /nfs/dbraw/zinc/46/29/27/535462927.db2.gz KZKXLSNFXOWOIP-UHFFFAOYSA-N 2 2 339.524 2.068 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CC(C)(C)COC)CC2)CC1 ZINC000422018837 535462928 /nfs/dbraw/zinc/46/29/28/535462928.db2.gz KZKXLSNFXOWOIP-UHFFFAOYSA-N 2 2 339.524 2.068 10 0 EEAELP COc1ccccc1N1CCC([NH2+][C@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422838268 537061757 /nfs/dbraw/zinc/06/17/57/537061757.db2.gz NXJQHWXWGCNLIZ-WBVHZDCISA-N 2 2 333.476 2.021 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000745785904 577918465 /nfs/dbraw/zinc/91/84/65/577918465.db2.gz BZNVNRQIYSLFIS-DZGCQCFKSA-N 2 2 334.464 2.331 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000745785904 577918466 /nfs/dbraw/zinc/91/84/66/577918466.db2.gz BZNVNRQIYSLFIS-DZGCQCFKSA-N 2 2 334.464 2.331 10 0 EEAELP CC[N@H+](CCc1ccccn1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000747669546 577947898 /nfs/dbraw/zinc/94/78/98/577947898.db2.gz QJVMKXSCQRGSKW-HXUWFJFHSA-N 2 2 327.472 2.439 10 0 EEAELP CC[N@@H+](CCc1ccccn1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000747669546 577947899 /nfs/dbraw/zinc/94/78/99/577947899.db2.gz QJVMKXSCQRGSKW-HXUWFJFHSA-N 2 2 327.472 2.439 10 0 EEAELP CC[NH+](CCc1ccccn1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000747669546 577947900 /nfs/dbraw/zinc/94/79/00/577947900.db2.gz QJVMKXSCQRGSKW-HXUWFJFHSA-N 2 2 327.472 2.439 10 0 EEAELP CC[NH+](CCc1ccccn1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000747669546 577947901 /nfs/dbraw/zinc/94/79/01/577947901.db2.gz QJVMKXSCQRGSKW-HXUWFJFHSA-N 2 2 327.472 2.439 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(F)ncc3C)CC2)CC1 ZINC000897998887 691837111 /nfs/dbraw/zinc/83/71/11/691837111.db2.gz WUZVFGWTUMOLKS-UHFFFAOYSA-N 2 2 348.466 2.161 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(F)ncc3C)CC2)CC1 ZINC000897998887 691837115 /nfs/dbraw/zinc/83/71/15/691837115.db2.gz WUZVFGWTUMOLKS-UHFFFAOYSA-N 2 2 348.466 2.161 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@H]1C(C)(C)C ZINC000898383708 693299690 /nfs/dbraw/zinc/29/96/90/693299690.db2.gz CDFGFQHLPCJJOF-KRWDZBQOSA-N 2 2 342.443 2.380 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@H]1C(C)(C)C ZINC000898383708 693299692 /nfs/dbraw/zinc/29/96/92/693299692.db2.gz CDFGFQHLPCJJOF-KRWDZBQOSA-N 2 2 342.443 2.380 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001485508461 1191819704 /nfs/dbraw/zinc/81/97/04/1191819704.db2.gz FPPVPHXFROISAA-IFXJQAMLSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001485508461 1191819705 /nfs/dbraw/zinc/81/97/05/1191819705.db2.gz FPPVPHXFROISAA-IFXJQAMLSA-N 2 2 338.455 2.466 10 0 EEAELP CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](Cc1coc(C)n1)C2 ZINC001485666389 1191886645 /nfs/dbraw/zinc/88/66/45/1191886645.db2.gz LXANZZIHEZQKAA-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](Cc1coc(C)n1)C2 ZINC001485666389 1191886648 /nfs/dbraw/zinc/88/66/48/1191886648.db2.gz LXANZZIHEZQKAA-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP CCC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@H+](Cc1coc(C)n1)C2 ZINC001485666389 1191886650 /nfs/dbraw/zinc/88/66/50/1191886650.db2.gz LXANZZIHEZQKAA-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP CCC[NH+](C)CCC(=O)N1CC2(C1)CCC[N@@H+](Cc1coc(C)n1)C2 ZINC001485666389 1191886653 /nfs/dbraw/zinc/88/66/53/1191886653.db2.gz LXANZZIHEZQKAA-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1)[NH+](C)C ZINC001691105606 1177584981 /nfs/dbraw/zinc/58/49/81/1177584981.db2.gz GVAFCVVIAMJRIX-CABCVRRESA-N 2 2 338.883 2.156 10 0 EEAELP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001266870355 1177653015 /nfs/dbraw/zinc/65/30/15/1177653015.db2.gz LWWAWWCHEYJUBW-OAHLLOKOSA-N 2 2 344.459 2.154 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001691174837 1177671682 /nfs/dbraw/zinc/67/16/82/1177671682.db2.gz IXSQCLGZOLLVDA-IYARVYRRSA-N 2 2 340.471 2.378 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001691308784 1177881886 /nfs/dbraw/zinc/88/18/86/1177881886.db2.gz GXRWAUIEPIKGCU-FUHWJXTLSA-N 2 2 341.459 2.085 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001691423982 1178034323 /nfs/dbraw/zinc/03/43/23/1178034323.db2.gz WHKIUKFDMJOWBY-UHFFFAOYSA-N 2 2 336.480 2.220 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001480922990 1178454982 /nfs/dbraw/zinc/45/49/82/1178454982.db2.gz YCRDJWUQQRKVHZ-RDTXWAMCSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001480922990 1178454986 /nfs/dbraw/zinc/45/49/86/1178454986.db2.gz YCRDJWUQQRKVHZ-RDTXWAMCSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001480922990 1178454990 /nfs/dbraw/zinc/45/49/90/1178454990.db2.gz YCRDJWUQQRKVHZ-RDTXWAMCSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001480922990 1178454994 /nfs/dbraw/zinc/45/49/94/1178454994.db2.gz YCRDJWUQQRKVHZ-RDTXWAMCSA-N 2 2 326.444 2.324 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C ZINC001267385844 1178945812 /nfs/dbraw/zinc/94/58/12/1178945812.db2.gz KBSTXWVVQYOEHP-IAGOWNOFSA-N 2 2 326.444 2.378 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C ZINC001267385844 1178945817 /nfs/dbraw/zinc/94/58/17/1178945817.db2.gz KBSTXWVVQYOEHP-IAGOWNOFSA-N 2 2 326.444 2.378 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1nccs1 ZINC001481044001 1179614905 /nfs/dbraw/zinc/61/49/05/1179614905.db2.gz HWNVRCRGTKTLNO-HUUCEWRRSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1nccs1 ZINC001481044001 1179614910 /nfs/dbraw/zinc/61/49/10/1179614910.db2.gz HWNVRCRGTKTLNO-HUUCEWRRSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC001481044001 1179614919 /nfs/dbraw/zinc/61/49/19/1179614919.db2.gz HWNVRCRGTKTLNO-HUUCEWRRSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[N@H+]1Cc1nccs1 ZINC001481044001 1179614926 /nfs/dbraw/zinc/61/49/26/1179614926.db2.gz HWNVRCRGTKTLNO-HUUCEWRRSA-N 2 2 336.505 2.098 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC001481073608 1179684701 /nfs/dbraw/zinc/68/47/01/1179684701.db2.gz PFWHKABAAQDJIG-GJZGRUSLSA-N 2 2 340.418 2.289 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC001481073608 1179684707 /nfs/dbraw/zinc/68/47/07/1179684707.db2.gz PFWHKABAAQDJIG-GJZGRUSLSA-N 2 2 340.418 2.289 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001481126840 1179835513 /nfs/dbraw/zinc/83/55/13/1179835513.db2.gz WCHZEXREEHUTJC-QGZVFWFLSA-N 2 2 330.476 2.292 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001481126840 1179835525 /nfs/dbraw/zinc/83/55/25/1179835525.db2.gz WCHZEXREEHUTJC-QGZVFWFLSA-N 2 2 330.476 2.292 10 0 EEAELP C[C@@](C[NH2+]CC=C(Cl)Cl)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001267864498 1180650886 /nfs/dbraw/zinc/65/08/86/1180650886.db2.gz FOGXSPGBGBTNMP-AWEZNQCLSA-N 2 2 331.247 2.077 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CCCC1CCC1 ZINC001267990971 1180930592 /nfs/dbraw/zinc/93/05/92/1180930592.db2.gz MRGFBBPBHUNNSX-DOTOQJQBSA-N 2 2 332.492 2.368 10 0 EEAELP Cc1conc1C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481319795 1181025072 /nfs/dbraw/zinc/02/50/72/1181025072.db2.gz OGRVXOUGRLXNHQ-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP CCCCOCC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481629979 1181944742 /nfs/dbraw/zinc/94/47/42/1181944742.db2.gz BIBNLBJYRBRDKB-UHFFFAOYSA-N 2 2 330.432 2.041 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001691499927 1182055965 /nfs/dbraw/zinc/05/59/65/1182055965.db2.gz FTLDDUZKRTYHGB-HNNXBMFYSA-N 2 2 336.480 2.050 10 0 EEAELP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)noc1C)[NH+](CC)CC ZINC001481678042 1182198701 /nfs/dbraw/zinc/19/87/01/1182198701.db2.gz MYJSAWBLOQQCTG-XYJFISCASA-N 2 2 348.491 2.197 10 0 EEAELP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)noc1C)[NH+](CC)CC ZINC001481678042 1182198704 /nfs/dbraw/zinc/19/87/04/1182198704.db2.gz MYJSAWBLOQQCTG-XYJFISCASA-N 2 2 348.491 2.197 10 0 EEAELP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC001481775242 1182671858 /nfs/dbraw/zinc/67/18/58/1182671858.db2.gz LYBZUNLSIPZWLS-ROUUACIJSA-N 2 2 348.491 2.080 10 0 EEAELP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC001481775242 1182671865 /nfs/dbraw/zinc/67/18/65/1182671865.db2.gz LYBZUNLSIPZWLS-ROUUACIJSA-N 2 2 348.491 2.080 10 0 EEAELP CCN(CC[NH2+]CCC(F)(F)F)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268458091 1182722969 /nfs/dbraw/zinc/72/29/69/1182722969.db2.gz DFDXEFGFAUSRAA-UHFFFAOYSA-N 2 2 334.386 2.317 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(F)cc1F ZINC001481885897 1182887021 /nfs/dbraw/zinc/88/70/21/1182887021.db2.gz XHMQLKQZIWNCKI-OCCSQVGLSA-N 2 2 336.386 2.407 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001268483018 1182946861 /nfs/dbraw/zinc/94/68/61/1182946861.db2.gz BLGBSKOGUITYJV-UHFFFAOYSA-N 2 2 334.851 2.286 10 0 EEAELP C[C@H](CC(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1)n1cc[nH+]c1 ZINC001482023520 1183151694 /nfs/dbraw/zinc/15/16/94/1183151694.db2.gz XAOOTRHGJKMRER-BRWVUGGUSA-N 2 2 348.491 2.420 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]Cc2ccc(F)cc2F)CCCC1 ZINC001482230927 1184383391 /nfs/dbraw/zinc/38/33/91/1184383391.db2.gz DRHMXDPPXXARAG-UHFFFAOYSA-N 2 2 348.397 2.449 10 0 EEAELP O=C(NCc1ccc(C[NH2+]CCCF)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001270065176 1184820656 /nfs/dbraw/zinc/82/06/56/1184820656.db2.gz GSQBGGVSGAYGNE-QGZVFWFLSA-N 2 2 344.434 2.211 10 0 EEAELP C[C@@H](O)CCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001270771790 1185379667 /nfs/dbraw/zinc/37/96/67/1185379667.db2.gz NWGOAXOAPMYRGS-OAHLLOKOSA-N 2 2 344.459 2.128 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)s1 ZINC001482461119 1185926545 /nfs/dbraw/zinc/92/65/45/1185926545.db2.gz NFFAMPKJKNDRIG-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP C[C@@H](C[NH2+]CCOC1CCCCCC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271227310 1186090790 /nfs/dbraw/zinc/09/07/90/1186090790.db2.gz MHSCSHYVBDCDHC-INIZCTEOSA-N 2 2 336.480 2.059 10 0 EEAELP C[C@H](C[NH2+]Cc1nsc2ccccc12)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271226244 1186090822 /nfs/dbraw/zinc/09/08/22/1186090822.db2.gz HALUJHLEZNTSCS-CYBMUJFWSA-N 2 2 343.456 2.130 10 0 EEAELP CC(C)OCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001271544670 1186302860 /nfs/dbraw/zinc/30/28/60/1186302860.db2.gz SOUTWFMSCZMBLZ-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001271544670 1186302863 /nfs/dbraw/zinc/30/28/63/1186302863.db2.gz SOUTWFMSCZMBLZ-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cncs1 ZINC001271868951 1186565107 /nfs/dbraw/zinc/56/51/07/1186565107.db2.gz JPPMVIKONLCELA-AWEZNQCLSA-N 2 2 343.456 2.335 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@@H]([NH2+]CCCF)C(C)C)[nH+]c12 ZINC001271915005 1186617935 /nfs/dbraw/zinc/61/79/35/1186617935.db2.gz GSEXIWMDHRXZJF-MRXNPFEDSA-N 2 2 334.439 2.275 10 0 EEAELP CN(CC[N@H+](C)Cc1cccc(F)c1Cl)C(=O)[C@H]1CCC[NH+]1C ZINC001482619104 1187437265 /nfs/dbraw/zinc/43/72/65/1187437265.db2.gz NQHKBLUAGYDOHI-OAHLLOKOSA-N 2 2 341.858 2.464 10 0 EEAELP CN(CC[N@@H+](C)Cc1cccc(F)c1Cl)C(=O)[C@H]1CCC[NH+]1C ZINC001482619104 1187437268 /nfs/dbraw/zinc/43/72/68/1187437268.db2.gz NQHKBLUAGYDOHI-OAHLLOKOSA-N 2 2 341.858 2.464 10 0 EEAELP CN(CC[NH+](C)Cc1cccc(F)c1Cl)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482619104 1187437270 /nfs/dbraw/zinc/43/72/70/1187437270.db2.gz NQHKBLUAGYDOHI-OAHLLOKOSA-N 2 2 341.858 2.464 10 0 EEAELP CN(CC[NH+](C)Cc1cccc(F)c1Cl)C(=O)[C@H]1CCC[N@H+]1C ZINC001482619104 1187437273 /nfs/dbraw/zinc/43/72/73/1187437273.db2.gz NQHKBLUAGYDOHI-OAHLLOKOSA-N 2 2 341.858 2.464 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001483037272 1188068658 /nfs/dbraw/zinc/06/86/58/1188068658.db2.gz MRHXJSKTKKFVGG-SFAKSCPVSA-N 2 2 340.418 2.050 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001691573635 1188271283 /nfs/dbraw/zinc/27/12/83/1188271283.db2.gz AXZLFAPZERKGJX-CYBMUJFWSA-N 2 2 328.407 2.134 10 0 EEAELP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001483086305 1188449610 /nfs/dbraw/zinc/44/96/10/1188449610.db2.gz JJFLQUQRVGCSFV-SZZPACECSA-N 2 2 344.912 2.145 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001483089941 1188454835 /nfs/dbraw/zinc/45/48/35/1188454835.db2.gz YSHUEXBQJMTQKX-NNTXTVRGSA-N 2 2 342.443 2.292 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]Cc1ccccc1F ZINC001409346808 1189557087 /nfs/dbraw/zinc/55/70/87/1189557087.db2.gz CDCLSMJSAIDTAX-UONOGXRCSA-N 2 2 332.423 2.175 10 0 EEAELP CO[C@@H](C[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1)C1CCC1 ZINC001409446493 1189689757 /nfs/dbraw/zinc/68/97/57/1189689757.db2.gz ICBREHVPJZBZCQ-JCYILVPMSA-N 2 2 348.491 2.127 10 0 EEAELP CO[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001409581429 1190067546 /nfs/dbraw/zinc/06/75/46/1190067546.db2.gz HYOHGACHGBFWIJ-YOEHRIQHSA-N 2 2 344.459 2.200 10 0 EEAELP CO[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001409581429 1190067548 /nfs/dbraw/zinc/06/75/48/1190067548.db2.gz HYOHGACHGBFWIJ-YOEHRIQHSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001409593580 1190083633 /nfs/dbraw/zinc/08/36/33/1190083633.db2.gz YDTSOLAUYYHCSM-WBVHZDCISA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001409593580 1190083637 /nfs/dbraw/zinc/08/36/37/1190083637.db2.gz YDTSOLAUYYHCSM-WBVHZDCISA-N 2 2 344.503 2.462 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)o1 ZINC001483258455 1190287203 /nfs/dbraw/zinc/28/72/03/1190287203.db2.gz QFPPXYKLXWFMLH-YOEHRIQHSA-N 2 2 348.491 2.374 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)o1 ZINC001483258455 1190287205 /nfs/dbraw/zinc/28/72/05/1190287205.db2.gz QFPPXYKLXWFMLH-YOEHRIQHSA-N 2 2 348.491 2.374 10 0 EEAELP Cc1conc1C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001486090299 1193678719 /nfs/dbraw/zinc/67/87/19/1193678719.db2.gz HOWGDZJDHORJHM-GOEBONIOSA-N 2 2 345.447 2.047 10 0 EEAELP CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001272313902 1190758320 /nfs/dbraw/zinc/75/83/20/1190758320.db2.gz ZIYHRHMISIUMIC-NVXWUHKLSA-N 2 2 328.460 2.470 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001272513195 1190862265 /nfs/dbraw/zinc/86/22/65/1190862265.db2.gz OPRSOSCWYCGVHF-GOSISDBHSA-N 2 2 326.444 2.302 10 0 EEAELP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1)c1c[nH+]c[nH]1 ZINC001272617185 1190932686 /nfs/dbraw/zinc/93/26/86/1190932686.db2.gz UGVKJKIWWOBHBJ-LBPRGKRZSA-N 2 2 346.397 2.468 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2c(F)cccc2F)C1 ZINC001272651012 1190960094 /nfs/dbraw/zinc/96/00/94/1190960094.db2.gz BHWRPTLTGMUADK-AWEZNQCLSA-N 2 2 348.397 2.190 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC001483784096 1191026384 /nfs/dbraw/zinc/02/63/84/1191026384.db2.gz QPLWGPNEKDCBFR-CYBMUJFWSA-N 2 2 340.418 2.027 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001484066976 1191186908 /nfs/dbraw/zinc/18/69/08/1191186908.db2.gz GHFHLWAOIKAXGD-CZUORRHYSA-N 2 2 340.418 2.277 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@]1(C)CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001484066976 1191186910 /nfs/dbraw/zinc/18/69/10/1191186910.db2.gz GHFHLWAOIKAXGD-CZUORRHYSA-N 2 2 340.418 2.277 10 0 EEAELP C[C@@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001484061902 1191188329 /nfs/dbraw/zinc/18/83/29/1191188329.db2.gz YIJIKGHOUNAJDY-MAUKXSAKSA-N 2 2 327.432 2.010 10 0 EEAELP C[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001484061902 1191188331 /nfs/dbraw/zinc/18/83/31/1191188331.db2.gz YIJIKGHOUNAJDY-MAUKXSAKSA-N 2 2 327.432 2.010 10 0 EEAELP C[C@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001484100826 1191210803 /nfs/dbraw/zinc/21/08/03/1191210803.db2.gz OWGFOKURMDVAIW-YLJYHZDGSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001484377911 1191321342 /nfs/dbraw/zinc/32/13/42/1191321342.db2.gz KPQUJSOHDRNNOW-STQMWFEESA-N 2 2 346.397 2.369 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)n1 ZINC001484988061 1191604121 /nfs/dbraw/zinc/60/41/21/1191604121.db2.gz OLNNOOBZOFJIMH-IAGOWNOFSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)n1 ZINC001484988061 1191604123 /nfs/dbraw/zinc/60/41/23/1191604123.db2.gz OLNNOOBZOFJIMH-IAGOWNOFSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)n1 ZINC001484988061 1191604127 /nfs/dbraw/zinc/60/41/27/1191604127.db2.gz OLNNOOBZOFJIMH-IAGOWNOFSA-N 2 2 349.523 2.273 10 0 EEAELP CCO[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001485329680 1191737628 /nfs/dbraw/zinc/73/76/28/1191737628.db2.gz VURCJXQBLCFYSL-YOEHRIQHSA-N 2 2 344.459 2.200 10 0 EEAELP CCO[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001485329680 1191737630 /nfs/dbraw/zinc/73/76/30/1191737630.db2.gz VURCJXQBLCFYSL-YOEHRIQHSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1noc(C)c1C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001485457102 1191796675 /nfs/dbraw/zinc/79/66/75/1191796675.db2.gz KBWDFIURNWEGGT-UHFFFAOYSA-N 2 2 345.447 2.166 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C)s1 ZINC001486407533 1193915419 /nfs/dbraw/zinc/91/54/19/1193915419.db2.gz QNTYFPTZBUYUIN-HNNXBMFYSA-N 2 2 349.504 2.359 10 0 EEAELP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001486406046 1193931148 /nfs/dbraw/zinc/93/11/48/1193931148.db2.gz RSZKRGMNGHCGOS-ZIAGYGMSSA-N 2 2 326.460 2.221 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001486440498 1193968644 /nfs/dbraw/zinc/96/86/44/1193968644.db2.gz PYOFEXADVBZQDR-GFCCVEGCSA-N 2 2 340.418 2.214 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)CC1(C)C ZINC001410024346 1197434363 /nfs/dbraw/zinc/43/43/63/1197434363.db2.gz QFLVZXPILMFYRH-QGZVFWFLSA-N 2 2 332.492 2.370 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)CC1(C)C ZINC001410024346 1197434364 /nfs/dbraw/zinc/43/43/64/1197434364.db2.gz QFLVZXPILMFYRH-QGZVFWFLSA-N 2 2 332.492 2.370 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001273276168 1197945408 /nfs/dbraw/zinc/94/54/08/1197945408.db2.gz GWWNEGPGZBVLGT-QZTJIDSGSA-N 2 2 348.491 2.254 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@@H](C(F)(F)F)C1 ZINC001411032023 1198710544 /nfs/dbraw/zinc/71/05/44/1198710544.db2.gz YNXJOZGTNOTLDB-OLZOCXBDSA-N 2 2 346.397 2.143 10 0 EEAELP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2cscn2)CC1)[NH+](C)C ZINC001411241492 1198960158 /nfs/dbraw/zinc/96/01/58/1198960158.db2.gz XMFFRRYQNVAFIP-XJKSGUPXSA-N 2 2 338.521 2.200 10 0 EEAELP Cc1cccnc1/C=C\C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870667385 1200803591 /nfs/dbraw/zinc/80/35/91/1200803591.db2.gz WSZHQJFNINVNEC-WAYWQWQTSA-N 2 2 337.427 2.189 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)CCC34CC(C3)C[NH2+]4)CC2)s1 ZINC000870891221 1200935104 /nfs/dbraw/zinc/93/51/04/1200935104.db2.gz WRZLYCDJNDPZTE-UHFFFAOYSA-N 2 2 347.528 2.487 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2c3ccccc3C[NH+]2C)C[N@@H+]1C1CC1 ZINC000868382873 1201803502 /nfs/dbraw/zinc/80/35/02/1201803502.db2.gz NFTWKUBNCSUCID-XUWXXGDYSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2c3ccccc3C[NH+]2C)C[N@H+]1C1CC1 ZINC000868382873 1201803504 /nfs/dbraw/zinc/80/35/04/1201803504.db2.gz NFTWKUBNCSUCID-XUWXXGDYSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C[NH+]1C1CC1 ZINC000868382873 1201803505 /nfs/dbraw/zinc/80/35/05/1201803505.db2.gz NFTWKUBNCSUCID-XUWXXGDYSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C[NH+]1C1CC1 ZINC000868382873 1201803509 /nfs/dbraw/zinc/80/35/09/1201803509.db2.gz NFTWKUBNCSUCID-XUWXXGDYSA-N 2 2 328.460 2.098 10 0 EEAELP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001274510650 1205062803 /nfs/dbraw/zinc/06/28/03/1205062803.db2.gz MJPQQSGATSLSAJ-YVACAVLKSA-N 2 2 348.491 2.076 10 0 EEAELP C[N@H+]1CC[C@@H](CC(=O)NC/C=C\C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001274510650 1205062804 /nfs/dbraw/zinc/06/28/04/1205062804.db2.gz MJPQQSGATSLSAJ-YVACAVLKSA-N 2 2 348.491 2.076 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CC[C@H]1CCCC1(F)F ZINC001274534363 1205069651 /nfs/dbraw/zinc/06/96/51/1205069651.db2.gz LNUAIFJZLHOITP-BAABZTOOSA-N 2 2 340.418 2.348 10 0 EEAELP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001276083606 1205766712 /nfs/dbraw/zinc/76/67/12/1205766712.db2.gz HAZWOPBTLZKTCS-KRWDZBQOSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@H](c1cccc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000926018457 1206182617 /nfs/dbraw/zinc/18/26/17/1206182617.db2.gz LROYUKZROOYVNP-RHSMWYFYSA-N 2 2 346.475 2.281 10 0 EEAELP C[NH2+]Cc1ccccc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000926154515 1206199393 /nfs/dbraw/zinc/19/93/93/1206199393.db2.gz HRRQFTZRWNCSMN-UHFFFAOYSA-N 2 2 333.461 2.246 10 0 EEAELP Brc1cnn(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000926415230 1206219729 /nfs/dbraw/zinc/21/97/29/1206219729.db2.gz QGBJESZDKZKDGK-KBPBESRZSA-N 2 2 327.270 2.252 10 0 EEAELP Brc1cnn(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000926415230 1206219731 /nfs/dbraw/zinc/21/97/31/1206219731.db2.gz QGBJESZDKZKDGK-KBPBESRZSA-N 2 2 327.270 2.252 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1COCC12OCCO2 ZINC000926569117 1206228128 /nfs/dbraw/zinc/22/81/28/1206228128.db2.gz GBIBTEYDWOUSOI-IXDOHACOSA-N 2 2 338.492 2.009 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1COCC12OCCO2 ZINC000926569117 1206228129 /nfs/dbraw/zinc/22/81/29/1206228129.db2.gz GBIBTEYDWOUSOI-IXDOHACOSA-N 2 2 338.492 2.009 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000927764343 1206299568 /nfs/dbraw/zinc/29/95/68/1206299568.db2.gz YPNJTNKXDNUSLX-INIZCTEOSA-N 2 2 342.484 2.033 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000927764343 1206299570 /nfs/dbraw/zinc/29/95/70/1206299570.db2.gz YPNJTNKXDNUSLX-INIZCTEOSA-N 2 2 342.484 2.033 10 0 EEAELP CC[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754077 1206498299 /nfs/dbraw/zinc/49/82/99/1206498299.db2.gz IQFAMGCAKUCIJD-FHWLQOOXSA-N 2 2 345.487 2.424 10 0 EEAELP CC[N@@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754077 1206498301 /nfs/dbraw/zinc/49/83/01/1206498301.db2.gz IQFAMGCAKUCIJD-FHWLQOOXSA-N 2 2 345.487 2.424 10 0 EEAELP Cc1ccc(N2CC[C@@H]([NH+]3C[C@@]4(C)C[N@@H+](C)C[C@@]4(C)C3)C2=O)cc1 ZINC000931310449 1206623430 /nfs/dbraw/zinc/62/34/30/1206623430.db2.gz KKPHIWZMFHIENQ-RLLQIKCJSA-N 2 2 327.472 2.374 10 0 EEAELP Cc1ccc(N2CC[C@@H]([NH+]3C[C@@]4(C)C[N@H+](C)C[C@@]4(C)C3)C2=O)cc1 ZINC000931310449 1206623431 /nfs/dbraw/zinc/62/34/31/1206623431.db2.gz KKPHIWZMFHIENQ-RLLQIKCJSA-N 2 2 327.472 2.374 10 0 EEAELP Cc1ccc(N2CC[C@@H]([N@@H+]3C[C@@]4(C)C[NH+](C)C[C@@]4(C)C3)C2=O)cc1 ZINC000931310449 1206623432 /nfs/dbraw/zinc/62/34/32/1206623432.db2.gz KKPHIWZMFHIENQ-RLLQIKCJSA-N 2 2 327.472 2.374 10 0 EEAELP Cc1ccc(N2CC[C@@H]([N@H+]3C[C@@]4(C)C[NH+](C)C[C@@]4(C)C3)C2=O)cc1 ZINC000931310449 1206623433 /nfs/dbraw/zinc/62/34/33/1206623433.db2.gz KKPHIWZMFHIENQ-RLLQIKCJSA-N 2 2 327.472 2.374 10 0 EEAELP CN(c1ccc(NC(=O)Cn2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000081275500 1211167827 /nfs/dbraw/zinc/16/78/27/1211167827.db2.gz KGNNASJNRZSXNR-UHFFFAOYSA-N 2 2 327.432 2.052 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CCNC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001412951522 1216150013 /nfs/dbraw/zinc/15/00/13/1216150013.db2.gz UABCBVZBOYSPKO-LPHOPBHVSA-N 2 2 329.488 2.498 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CCNC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001412951522 1216150014 /nfs/dbraw/zinc/15/00/14/1216150014.db2.gz UABCBVZBOYSPKO-LPHOPBHVSA-N 2 2 329.488 2.498 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CCNC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001412951522 1216150017 /nfs/dbraw/zinc/15/00/17/1216150017.db2.gz UABCBVZBOYSPKO-LPHOPBHVSA-N 2 2 329.488 2.498 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CCNC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001412951522 1216150020 /nfs/dbraw/zinc/15/00/20/1216150020.db2.gz UABCBVZBOYSPKO-LPHOPBHVSA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)CN(C(=O)C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)C1CC1 ZINC001413106611 1234175875 /nfs/dbraw/zinc/17/58/75/1234175875.db2.gz ZNVGRCFLCPBKLP-BGYRXZFFSA-N 2 2 333.520 2.441 10 0 EEAELP CC(C)CN(C(=O)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)C1CC1 ZINC001413106611 1234175878 /nfs/dbraw/zinc/17/58/78/1234175878.db2.gz ZNVGRCFLCPBKLP-BGYRXZFFSA-N 2 2 333.520 2.441 10 0 EEAELP CC(C)CN(C(=O)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3)C1CC1 ZINC001413106611 1234175882 /nfs/dbraw/zinc/17/58/82/1234175882.db2.gz ZNVGRCFLCPBKLP-BGYRXZFFSA-N 2 2 333.520 2.441 10 0 EEAELP CC(C)CN(C(=O)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3)C1CC1 ZINC001413106611 1234175884 /nfs/dbraw/zinc/17/58/84/1234175884.db2.gz ZNVGRCFLCPBKLP-BGYRXZFFSA-N 2 2 333.520 2.441 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)/C=C(/C)C[NH+]1CCOCC1)CC(C)C ZINC000900685454 1234657235 /nfs/dbraw/zinc/65/72/35/1234657235.db2.gz TVSYOEDMNRWRIR-FDWYHIAWSA-N 2 2 339.524 2.138 10 0 EEAELP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900695375 1234670281 /nfs/dbraw/zinc/67/02/81/1234670281.db2.gz QVAZHZZVGCDWIP-HNNXBMFYSA-N 2 2 329.448 2.065 10 0 EEAELP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901284437 1235478197 /nfs/dbraw/zinc/47/81/97/1235478197.db2.gz CRDODQWBGSCYTN-JKSUJKDBSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901284437 1235478200 /nfs/dbraw/zinc/47/82/00/1235478200.db2.gz CRDODQWBGSCYTN-JKSUJKDBSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000902793363 1238544301 /nfs/dbraw/zinc/54/43/01/1238544301.db2.gz IKIYBZUFRPVYKT-IRXDYDNUSA-N 3 2 327.476 2.159 10 0 EEAELP C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902880227 1238830712 /nfs/dbraw/zinc/83/07/12/1238830712.db2.gz GJKJJXIZJAROQH-CQSZACIVSA-N 2 2 333.457 2.348 10 0 EEAELP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000903902779 1242409458 /nfs/dbraw/zinc/40/94/58/1242409458.db2.gz CBMMJJSBJPPVDS-ZBFHGGJFSA-N 2 2 329.448 2.491 10 0 EEAELP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000903902779 1242409465 /nfs/dbraw/zinc/40/94/65/1242409465.db2.gz CBMMJJSBJPPVDS-ZBFHGGJFSA-N 2 2 329.448 2.491 10 0 EEAELP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903958156 1242723991 /nfs/dbraw/zinc/72/39/91/1242723991.db2.gz WCKMLBAYNGLYLS-CYBMUJFWSA-N 2 2 336.386 2.215 10 0 EEAELP Cc1nocc1C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491226323 1258811726 /nfs/dbraw/zinc/81/17/26/1258811726.db2.gz OUOMIRCDKRBMHL-PBHICJAKSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1nocc1C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491226323 1258811734 /nfs/dbraw/zinc/81/17/34/1258811734.db2.gz OUOMIRCDKRBMHL-PBHICJAKSA-N 2 2 345.447 2.302 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001491229436 1258817974 /nfs/dbraw/zinc/81/79/74/1258817974.db2.gz HBRVCNIZIYSHGU-HNNXBMFYSA-N 2 2 332.473 2.195 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001491229436 1258817985 /nfs/dbraw/zinc/81/79/85/1258817985.db2.gz HBRVCNIZIYSHGU-HNNXBMFYSA-N 2 2 332.473 2.195 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001491253107 1258847604 /nfs/dbraw/zinc/84/76/04/1258847604.db2.gz JOYWXVQMSFPTKR-FUHWJXTLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC[C@@H]1CCCCO1 ZINC001491502757 1259152543 /nfs/dbraw/zinc/15/25/43/1259152543.db2.gz CCCNCBPZHSSDOQ-ZFWWWQNUSA-N 2 2 330.432 2.230 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(Cl)c1 ZINC001491508854 1259152755 /nfs/dbraw/zinc/15/27/55/1259152755.db2.gz YIBDQZCJOWREFT-DZGCQCFKSA-N 2 2 346.862 2.393 10 0 EEAELP COC[C@H](CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000850345520 1277189919 /nfs/dbraw/zinc/18/99/19/1277189919.db2.gz CTHULIKRHNVENO-IBGZPJMESA-N 2 2 335.492 2.363 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1csc(Cl)n1 ZINC001490356871 1291296986 /nfs/dbraw/zinc/29/69/86/1291296986.db2.gz LBBBZCIUUWNYRV-LBPRGKRZSA-N 2 2 344.912 2.076 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1csc(Cl)n1 ZINC001490356871 1291296989 /nfs/dbraw/zinc/29/69/89/1291296989.db2.gz LBBBZCIUUWNYRV-LBPRGKRZSA-N 2 2 344.912 2.076 10 0 EEAELP CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1csc(Cl)n1 ZINC001490356871 1291296995 /nfs/dbraw/zinc/29/69/95/1291296995.db2.gz LBBBZCIUUWNYRV-LBPRGKRZSA-N 2 2 344.912 2.076 10 0 EEAELP CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1csc(Cl)n1 ZINC001490356871 1291297002 /nfs/dbraw/zinc/29/70/02/1291297002.db2.gz LBBBZCIUUWNYRV-LBPRGKRZSA-N 2 2 344.912 2.076 10 0 EEAELP CCOc1ccc2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)[nH]c2c1 ZINC000855416930 1293210582 /nfs/dbraw/zinc/21/05/82/1293210582.db2.gz QRFRZMGOOCPQGE-UHFFFAOYSA-N 2 2 346.475 2.180 10 0 EEAELP CCOc1ccc2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)[nH]c2c1 ZINC000855416930 1293210587 /nfs/dbraw/zinc/21/05/87/1293210587.db2.gz QRFRZMGOOCPQGE-UHFFFAOYSA-N 2 2 346.475 2.180 10 0 EEAELP COC(=O)C1=CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000858473800 1294127212 /nfs/dbraw/zinc/12/72/12/1294127212.db2.gz SIJPPKGACLCBRJ-HFTRVMKXSA-N 2 2 329.444 2.143 10 0 EEAELP COC(=O)C1=CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000858473800 1294127214 /nfs/dbraw/zinc/12/72/14/1294127214.db2.gz SIJPPKGACLCBRJ-HFTRVMKXSA-N 2 2 329.444 2.143 10 0 EEAELP C[N@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CCOCC1 ZINC000926962327 1296971408 /nfs/dbraw/zinc/97/14/08/1296971408.db2.gz ZUDOHTGYFVSLBM-VQTJNVASSA-N 2 2 343.515 2.351 10 0 EEAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CCOCC1 ZINC000926962327 1296971414 /nfs/dbraw/zinc/97/14/14/1296971414.db2.gz ZUDOHTGYFVSLBM-VQTJNVASSA-N 2 2 343.515 2.351 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H]3CCC(F)(F)C3)CC2)CC1 ZINC000797846688 1304859199 /nfs/dbraw/zinc/85/91/99/1304859199.db2.gz KZONUUVAXFNVLY-CQSZACIVSA-N 2 2 343.462 2.487 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]CCCCCF)[C@@H]2C1 ZINC001278496475 1310807578 /nfs/dbraw/zinc/80/75/78/1310807578.db2.gz ZYQCQIQAJORUBP-BBWFWOEESA-N 2 2 336.455 2.240 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001263836873 1322533237 /nfs/dbraw/zinc/53/32/37/1322533237.db2.gz OCBAJHJVTFUZKT-FZNQNYSPSA-N 2 2 344.459 2.476 10 0 EEAELP COCCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001264142102 1322641058 /nfs/dbraw/zinc/64/10/58/1322641058.db2.gz NTWHWDXJGKIDPR-WBVHZDCISA-N 2 2 344.459 2.262 10 0 EEAELP COCCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001264142102 1322641064 /nfs/dbraw/zinc/64/10/64/1322641064.db2.gz NTWHWDXJGKIDPR-WBVHZDCISA-N 2 2 344.459 2.262 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001265488007 1323179270 /nfs/dbraw/zinc/17/92/70/1323179270.db2.gz OOZQLJJPHPGHCU-JOCQHMNTSA-N 2 2 346.397 2.322 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CCOC1CCCCCC1 ZINC001265856077 1323430776 /nfs/dbraw/zinc/43/07/76/1323430776.db2.gz IULUNARXCFLAAC-CQSZACIVSA-N 2 2 336.480 2.094 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)o1 ZINC001265862976 1323436727 /nfs/dbraw/zinc/43/67/27/1323436727.db2.gz OLBQMIFEWJKYCS-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)o1 ZINC001265862976 1323436731 /nfs/dbraw/zinc/43/67/31/1323436731.db2.gz OLBQMIFEWJKYCS-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001265862976 1323436735 /nfs/dbraw/zinc/43/67/35/1323436735.db2.gz OLBQMIFEWJKYCS-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001265862976 1323436743 /nfs/dbraw/zinc/43/67/43/1323436743.db2.gz OLBQMIFEWJKYCS-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266006637 1323560487 /nfs/dbraw/zinc/56/04/87/1323560487.db2.gz NKCZEIRIFGPXFS-JKSUJKDBSA-N 2 2 336.480 2.127 10 0 EEAELP CCOCC[NH+]1CCC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001266185405 1323751609 /nfs/dbraw/zinc/75/16/09/1323751609.db2.gz GUKFSNMZUJQMNF-UHFFFAOYSA-N 2 2 330.432 2.136 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N(CC[NH2+]C/C=C/Cl)Cc1ccccc1 ZINC001279318278 1323872790 /nfs/dbraw/zinc/87/27/90/1323872790.db2.gz KDAUFDCNUKLTEB-VMPITWQZSA-N 2 2 346.862 2.334 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001276610252 1324753096 /nfs/dbraw/zinc/75/30/96/1324753096.db2.gz AVHWXKKWICEBNK-RDJZCZTQSA-N 2 2 332.492 2.366 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001281888710 1325499982 /nfs/dbraw/zinc/49/99/82/1325499982.db2.gz BFCDYLNGFYFBAD-KRWDZBQOSA-N 2 2 326.444 2.166 10 0 EEAELP COCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001284066416 1326389876 /nfs/dbraw/zinc/38/98/76/1326389876.db2.gz GPUJQOPLWXDOBS-KVSKMBFKSA-N 2 2 348.491 2.128 10 0 EEAELP COCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001284066416 1326389878 /nfs/dbraw/zinc/38/98/78/1326389878.db2.gz GPUJQOPLWXDOBS-KVSKMBFKSA-N 2 2 348.491 2.128 10 0 EEAELP COCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001284066416 1326389881 /nfs/dbraw/zinc/38/98/81/1326389881.db2.gz GPUJQOPLWXDOBS-KVSKMBFKSA-N 2 2 348.491 2.128 10 0 EEAELP COCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001284066416 1326389885 /nfs/dbraw/zinc/38/98/85/1326389885.db2.gz GPUJQOPLWXDOBS-KVSKMBFKSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001284976437 1326805582 /nfs/dbraw/zinc/80/55/82/1326805582.db2.gz HUCXUFBJMXDCFF-MRXNPFEDSA-N 2 2 338.455 2.472 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC=C(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001284976437 1326805585 /nfs/dbraw/zinc/80/55/85/1326805585.db2.gz HUCXUFBJMXDCFF-MRXNPFEDSA-N 2 2 338.455 2.472 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001491813248 1330279229 /nfs/dbraw/zinc/27/92/29/1330279229.db2.gz AXOLBWWYYBBMMJ-JKSUJKDBSA-N 2 2 336.455 2.023 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001316794761 1331896962 /nfs/dbraw/zinc/89/69/62/1331896962.db2.gz UOLMWKFBQXCCCN-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001316794761 1331896966 /nfs/dbraw/zinc/89/69/66/1331896966.db2.gz UOLMWKFBQXCCCN-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001316794761 1331896970 /nfs/dbraw/zinc/89/69/70/1331896970.db2.gz UOLMWKFBQXCCCN-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001316794761 1331896972 /nfs/dbraw/zinc/89/69/72/1331896972.db2.gz UOLMWKFBQXCCCN-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317100260 1332078912 /nfs/dbraw/zinc/07/89/12/1332078912.db2.gz PCKZEXPJNCVQDW-AEFFLSMTSA-N 2 2 348.491 2.000 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317100260 1332078913 /nfs/dbraw/zinc/07/89/13/1332078913.db2.gz PCKZEXPJNCVQDW-AEFFLSMTSA-N 2 2 348.491 2.000 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001317357869 1332193293 /nfs/dbraw/zinc/19/32/93/1332193293.db2.gz SBCAKEGRFPDKMB-ZDUSSCGKSA-N 2 2 332.370 2.054 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001318848475 1332611074 /nfs/dbraw/zinc/61/10/74/1332611074.db2.gz GMTCHPUKUNPDOI-QGZVFWFLSA-N 2 2 332.492 2.371 10 0 EEAELP C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001318974567 1332631108 /nfs/dbraw/zinc/63/11/08/1332631108.db2.gz FAYINTQAOKPYJH-QBPKDAKJSA-N 2 2 336.480 2.012 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CC1=CCCCC1 ZINC001319210286 1332666109 /nfs/dbraw/zinc/66/61/09/1332666109.db2.gz VTQFWUDNABECHH-WBVHZDCISA-N 2 2 330.476 2.288 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001320152637 1332839714 /nfs/dbraw/zinc/83/97/14/1332839714.db2.gz VCQQYFHGYBIFGU-QWHCGFSZSA-N 2 2 332.370 2.100 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCC[C@@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC001321159500 1333034355 /nfs/dbraw/zinc/03/43/55/1333034355.db2.gz YSATVQQPJLAAHX-STOZHHMFSA-N 2 2 342.443 2.027 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1cc2ccccc2o1 ZINC001321353655 1333083315 /nfs/dbraw/zinc/08/33/15/1333083315.db2.gz REJYXBDSEALIPI-SNAWJCMRSA-N 2 2 338.411 2.469 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c(C)s1 ZINC001322793708 1333327854 /nfs/dbraw/zinc/32/78/54/1333327854.db2.gz VLYFTGIPKVOATG-UHFFFAOYSA-N 2 2 349.504 2.399 10 0 EEAELP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)c(C)c1 ZINC001327830069 1334352412 /nfs/dbraw/zinc/35/24/12/1334352412.db2.gz HCGWBNPOENGWBY-BHYGNILZSA-N 2 2 331.460 2.356 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001329163964 1334597826 /nfs/dbraw/zinc/59/78/26/1334597826.db2.gz BEZWQQGVIALAPB-HZPDHXFCSA-N 2 2 328.460 2.078 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cccc(F)c1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001330949184 1334933287 /nfs/dbraw/zinc/93/32/87/1334933287.db2.gz XJTUFNJBMXAKLH-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP CC[C@@H](F)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001506682505 1342312388 /nfs/dbraw/zinc/31/23/88/1342312388.db2.gz NSNFFFKYSDMGQR-CRAIPNDOSA-N 2 2 335.467 2.303 10 0 EEAELP CC[C@@H](F)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001506682505 1342312391 /nfs/dbraw/zinc/31/23/91/1342312391.db2.gz NSNFFFKYSDMGQR-CRAIPNDOSA-N 2 2 335.467 2.303 10 0 EEAELP CCc1ccc(CC[NH2+]CC2CC(NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001570582748 1343089083 /nfs/dbraw/zinc/08/90/83/1343089083.db2.gz VBOBOZRTUINEPM-UHFFFAOYSA-N 2 2 340.471 2.173 10 0 EEAELP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CCOC2CCCCCC2)C1 ZINC001571662784 1343265875 /nfs/dbraw/zinc/26/58/75/1343265875.db2.gz RIWSUMFEBXFMKI-UHFFFAOYSA-N 2 2 348.491 2.271 10 0 EEAELP CCNc1cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC001646951788 1353068445 /nfs/dbraw/zinc/06/84/45/1353068445.db2.gz YJCUCBJVWGXJPD-HZPDHXFCSA-N 2 2 331.464 2.139 10 0 EEAELP CCNc1cc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc[nH+]1 ZINC001646951788 1353068451 /nfs/dbraw/zinc/06/84/51/1353068451.db2.gz YJCUCBJVWGXJPD-HZPDHXFCSA-N 2 2 331.464 2.139 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001671233684 1353204381 /nfs/dbraw/zinc/20/43/81/1353204381.db2.gz XRVZCWLMUXWQJX-NVXWUHKLSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001671233684 1353204383 /nfs/dbraw/zinc/20/43/83/1353204383.db2.gz XRVZCWLMUXWQJX-NVXWUHKLSA-N 2 2 348.491 2.128 10 0 EEAELP CNc1cc(CNC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC001649302920 1353468967 /nfs/dbraw/zinc/46/89/67/1353468967.db2.gz KRQWGXOYIMXRNT-ZNMIVQPWSA-N 2 2 333.480 2.289 10 0 EEAELP CNc1cc(CNC(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC001649302920 1353468971 /nfs/dbraw/zinc/46/89/71/1353468971.db2.gz KRQWGXOYIMXRNT-ZNMIVQPWSA-N 2 2 333.480 2.289 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCO[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001649461487 1353518380 /nfs/dbraw/zinc/51/83/80/1353518380.db2.gz YZTKIBFNGBHTIR-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001649461487 1353518383 /nfs/dbraw/zinc/51/83/83/1353518383.db2.gz YZTKIBFNGBHTIR-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001662664585 1354821712 /nfs/dbraw/zinc/82/17/12/1354821712.db2.gz CDYJJWCAHGDEMR-HNNXBMFYSA-N 2 2 332.473 2.016 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001662733915 1354834346 /nfs/dbraw/zinc/83/43/46/1354834346.db2.gz YCXDJDJWIZWMCM-IBGZPJMESA-N 2 2 340.471 2.262 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)CCn2cc[nH+]c2)o1 ZINC001663093910 1354912074 /nfs/dbraw/zinc/91/20/74/1354912074.db2.gz VYTOVVKGCLBVQB-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CCn2cc[nH+]c2)o1 ZINC001663093910 1354912078 /nfs/dbraw/zinc/91/20/78/1354912078.db2.gz VYTOVVKGCLBVQB-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001663119996 1354921246 /nfs/dbraw/zinc/92/12/46/1354921246.db2.gz PHTBINKIYRGBQL-IRXDYDNUSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC001663119996 1354921251 /nfs/dbraw/zinc/92/12/51/1354921251.db2.gz PHTBINKIYRGBQL-IRXDYDNUSA-N 2 2 348.491 2.048 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+]1CCCCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001663508257 1354975582 /nfs/dbraw/zinc/97/55/82/1354975582.db2.gz KMLDSONDAPQQPE-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+]1CCCCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001663508257 1354975584 /nfs/dbraw/zinc/97/55/84/1354975584.db2.gz KMLDSONDAPQQPE-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001666939278 1355618622 /nfs/dbraw/zinc/61/86/22/1355618622.db2.gz WTNBQLJWDJKYTI-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001667032653 1355635425 /nfs/dbraw/zinc/63/54/25/1355635425.db2.gz CRLQJBUNCNJWRB-INIZCTEOSA-N 2 2 328.460 2.032 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CC=C(C)C)[C@@H](C)C1 ZINC001667184637 1355667644 /nfs/dbraw/zinc/66/76/44/1355667644.db2.gz SXRXXQKYHOCONR-RDJZCZTQSA-N 2 2 331.460 2.426 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)CCn1cc[nH+]c1 ZINC001668512977 1355955121 /nfs/dbraw/zinc/95/51/21/1355955121.db2.gz ZHAATNOKUCQGLU-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]Cc2cnccc2C)c[nH+]1 ZINC001668883886 1356034858 /nfs/dbraw/zinc/03/48/58/1356034858.db2.gz VBVHJRUAXQHWIA-WAYWQWQTSA-N 2 2 341.459 2.092 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1csc(C2CC2)n1 ZINC001668887042 1356035250 /nfs/dbraw/zinc/03/52/50/1356035250.db2.gz CRSQCUWQBMLVPD-MJSXRHKHSA-N 2 2 348.516 2.267 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1csc(C2CC2)n1 ZINC001668887042 1356035253 /nfs/dbraw/zinc/03/52/53/1356035253.db2.gz CRSQCUWQBMLVPD-MJSXRHKHSA-N 2 2 348.516 2.267 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)c1ncc(C(C)(C)C)o1 ZINC001668979146 1356059662 /nfs/dbraw/zinc/05/96/62/1356059662.db2.gz QUETYOCFGDUVOI-MFHOCJEASA-N 2 2 348.491 2.389 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C)c1ncc(C(C)(C)C)o1 ZINC001668979146 1356059666 /nfs/dbraw/zinc/05/96/66/1356059666.db2.gz QUETYOCFGDUVOI-MFHOCJEASA-N 2 2 348.491 2.389 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1ncc(C(C)(C)C)o1 ZINC001669021212 1356070249 /nfs/dbraw/zinc/07/02/49/1356070249.db2.gz SIBOUTPGIUOTFK-NPQIQWPPSA-N 2 2 336.480 2.247 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]Cc2cncs2)C1 ZINC001672916948 1356614547 /nfs/dbraw/zinc/61/45/47/1356614547.db2.gz RYYRUPAAMQDFIG-OAHLLOKOSA-N 2 2 347.488 2.148 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2COCC[NH+]2CCC2=CCCCC2)C1 ZINC001673060590 1356639758 /nfs/dbraw/zinc/63/97/58/1356639758.db2.gz WZSNIIFRACNCHR-IEBWSBKVSA-N 2 2 349.519 2.036 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCC[NH+]2CCC2=CCCCC2)C1 ZINC001673060590 1356639764 /nfs/dbraw/zinc/63/97/64/1356639764.db2.gz WZSNIIFRACNCHR-IEBWSBKVSA-N 2 2 349.519 2.036 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@@H+]2CCC2=CCCCC2)C1 ZINC001673060590 1356639769 /nfs/dbraw/zinc/63/97/69/1356639769.db2.gz WZSNIIFRACNCHR-IEBWSBKVSA-N 2 2 349.519 2.036 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@H+]2CCC2=CCCCC2)C1 ZINC001673060590 1356639773 /nfs/dbraw/zinc/63/97/73/1356639773.db2.gz WZSNIIFRACNCHR-IEBWSBKVSA-N 2 2 349.519 2.036 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]CCc2cccs2)C1 ZINC001674587232 1356860979 /nfs/dbraw/zinc/86/09/79/1356860979.db2.gz DGJSOTWRQIHXOP-NFOMZHRRSA-N 2 2 346.500 2.377 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]CCc2cccs2)C1 ZINC001674587232 1356860983 /nfs/dbraw/zinc/86/09/83/1356860983.db2.gz DGJSOTWRQIHXOP-NFOMZHRRSA-N 2 2 346.500 2.377 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCc2[nH+]ccn2C)cc1 ZINC001699286957 1405317640 /nfs/dbraw/zinc/31/76/40/1405317640.db2.gz FFRCWGLYQZUPBT-ARJAWSKDSA-N 2 2 326.444 2.123 10 0 EEAELP CN(CCC[NH2+]CC[C@H]1CCCCO1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699545145 1405379905 /nfs/dbraw/zinc/37/99/05/1405379905.db2.gz GCMFIUIWIMYHGT-OAHLLOKOSA-N 2 2 336.480 2.085 10 0 EEAELP CC[NH2+]CCN(Cc1ccccc1)C(=O)Cc1c[nH+]ccc1OC ZINC001699984424 1405629813 /nfs/dbraw/zinc/62/98/13/1405629813.db2.gz ORKYNBLAAHTMRA-UHFFFAOYSA-N 2 2 327.428 2.271 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cnn(C2CCCC2)c1 ZINC000925869577 779737933 /nfs/dbraw/zinc/73/79/33/779737933.db2.gz HHHBWXVONODSNG-UHFFFAOYSA-N 2 2 336.484 2.003 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cnn(C2CCCC2)c1 ZINC000925869577 779737940 /nfs/dbraw/zinc/73/79/40/779737940.db2.gz HHHBWXVONODSNG-UHFFFAOYSA-N 2 2 336.484 2.003 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Br ZINC000819320451 785525501 /nfs/dbraw/zinc/52/55/01/785525501.db2.gz BBGGYIXGEBKXBL-BMIGLBTASA-N 2 2 336.233 2.353 10 0 EEAELP Cc1c(Cl)nccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000823454598 787758444 /nfs/dbraw/zinc/75/84/44/787758444.db2.gz HSJAEUFZSLHLSB-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP Cc1c(Cl)nccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000823454598 787758449 /nfs/dbraw/zinc/75/84/49/787758449.db2.gz HSJAEUFZSLHLSB-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000912647964 788280766 /nfs/dbraw/zinc/28/07/66/788280766.db2.gz CAQZQHKHTJIOFB-DOTOQJQBSA-N 2 2 332.492 2.483 10 0 EEAELP C[C@@]12CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000913083913 788615076 /nfs/dbraw/zinc/61/50/76/788615076.db2.gz FOIKABYBTABNJO-WOJBJXKFSA-N 2 2 338.455 2.323 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288461 788988278 /nfs/dbraw/zinc/98/82/78/788988278.db2.gz UCJSRWAVUBSFHX-FUHWJXTLSA-N 2 2 335.492 2.414 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288461 788988282 /nfs/dbraw/zinc/98/82/82/788988282.db2.gz UCJSRWAVUBSFHX-FUHWJXTLSA-N 2 2 335.492 2.414 10 0 EEAELP C[N@H+](CCC[NH2+]C1CC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000923328903 789373720 /nfs/dbraw/zinc/37/37/20/789373720.db2.gz YBXHJEQXQNAASD-UHFFFAOYSA-N 2 2 336.568 2.257 10 0 EEAELP C[N@@H+](CCC[NH2+]C1CC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000923328903 789373728 /nfs/dbraw/zinc/37/37/28/789373728.db2.gz YBXHJEQXQNAASD-UHFFFAOYSA-N 4 2 336.568 2.257 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@H+]2C)c(C)c1 ZINC000921596936 789839173 /nfs/dbraw/zinc/83/91/73/789839173.db2.gz RCOQOAWBMQVTIS-AEFFLSMTSA-N 2 2 341.459 2.245 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@@H+]2C)c(C)c1 ZINC000921596936 789839177 /nfs/dbraw/zinc/83/91/77/789839177.db2.gz RCOQOAWBMQVTIS-AEFFLSMTSA-N 2 2 341.459 2.245 10 0 EEAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC[C@H]1CCCO1 ZINC001566466201 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10 0 EEAELP Cc1[nH+]ccn1CC(=O)N(CC[N@H+](C)Cc1ccns1)C(C)C ZINC001449277508 1094225489 /nfs/dbraw/zinc/22/54/89/1094225489.db2.gz CUHSEZWWJGTMOT-UHFFFAOYSA-N 2 2 335.477 2.017 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N(CC[N@@H+](C)Cc1ccns1)C(C)C ZINC001449277508 1094225493 /nfs/dbraw/zinc/22/54/93/1094225493.db2.gz CUHSEZWWJGTMOT-UHFFFAOYSA-N 2 2 335.477 2.017 10 0 EEAELP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001441106092 1094414097 /nfs/dbraw/zinc/41/40/97/1094414097.db2.gz OYGOGWAHHMQYKC-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)(C)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001441106092 1094414100 /nfs/dbraw/zinc/41/41/00/1094414100.db2.gz OYGOGWAHHMQYKC-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C[NH+]2CC([C@@H](C)NC(=O)C(C)(C)[NH+]3CCCC3)C2)c(C)o1 ZINC001441167227 1094518034 /nfs/dbraw/zinc/51/80/34/1094518034.db2.gz MZXVNQGMXVFTRP-CYBMUJFWSA-N 2 2 348.491 2.102 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)no1 ZINC001441508857 1095198391 /nfs/dbraw/zinc/19/83/91/1095198391.db2.gz GVOHGPPKSQYJOH-LSDHHAIUSA-N 2 2 347.463 2.330 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441590118 1095418804 /nfs/dbraw/zinc/41/88/04/1095418804.db2.gz SNIPYNZFLUUXAN-KGLIPLIRSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441590118 1095418808 /nfs/dbraw/zinc/41/88/08/1095418808.db2.gz SNIPYNZFLUUXAN-KGLIPLIRSA-N 2 2 340.418 2.216 10 0 EEAELP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001441594954 1095433041 /nfs/dbraw/zinc/43/30/41/1095433041.db2.gz DGOJOFPWILFLHB-HOTGVXAUSA-N 2 2 329.448 2.174 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC001441649658 1095602809 /nfs/dbraw/zinc/60/28/09/1095602809.db2.gz SQNNYUFXEQYGDV-QZTJIDSGSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CC[C@H]1CCCCO1 ZINC001441649658 1095602813 /nfs/dbraw/zinc/60/28/13/1095602813.db2.gz SQNNYUFXEQYGDV-QZTJIDSGSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccc(F)cc1F ZINC001441881229 1096006398 /nfs/dbraw/zinc/00/63/98/1096006398.db2.gz UGFXOBYMZWPWCZ-JSGCOSHPSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)[C@H]2C)s1 ZINC001441901132 1096059236 /nfs/dbraw/zinc/05/92/36/1096059236.db2.gz WHYZUUZBKTZLGI-CJNGLKHVSA-N 2 2 347.488 2.207 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)[C@H]2C)s1 ZINC001441901132 1096059245 /nfs/dbraw/zinc/05/92/45/1096059245.db2.gz WHYZUUZBKTZLGI-CJNGLKHVSA-N 2 2 347.488 2.207 10 0 EEAELP COc1cccc(C[N@H+](C)CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)C)c1 ZINC001442122851 1096358428 /nfs/dbraw/zinc/35/84/28/1096358428.db2.gz MXXIBOKAAIDIBC-UHFFFAOYSA-N 2 2 344.459 2.330 10 0 EEAELP COc1cccc(C[N@@H+](C)CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)C)c1 ZINC001442122851 1096358436 /nfs/dbraw/zinc/35/84/36/1096358436.db2.gz MXXIBOKAAIDIBC-UHFFFAOYSA-N 2 2 344.459 2.330 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](Cc2ccc(Cl)c(F)c2)C1 ZINC001443654753 1098153108 /nfs/dbraw/zinc/15/31/08/1098153108.db2.gz SRQAACMOAXEXHB-UHFFFAOYSA-N 2 2 341.858 2.367 10 0 EEAELP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1C)[NH+](CC)CC ZINC001443681719 1098185199 /nfs/dbraw/zinc/18/51/99/1098185199.db2.gz XISNEHFZQAPROM-FHWLQOOXSA-N 2 2 344.503 2.296 10 0 EEAELP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1C)[NH+](CC)CC ZINC001443681719 1098185201 /nfs/dbraw/zinc/18/52/01/1098185201.db2.gz XISNEHFZQAPROM-FHWLQOOXSA-N 2 2 344.503 2.296 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1csc(Cl)n1 ZINC001479789969 1098993715 /nfs/dbraw/zinc/99/37/15/1098993715.db2.gz FOGKAUCMDHAFIK-ZDUSSCGKSA-N 2 2 344.912 2.219 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1csc(Cl)n1 ZINC001479789969 1098993721 /nfs/dbraw/zinc/99/37/21/1098993721.db2.gz FOGKAUCMDHAFIK-ZDUSSCGKSA-N 2 2 344.912 2.219 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1csc(Cl)n1 ZINC001479789969 1098993727 /nfs/dbraw/zinc/99/37/27/1098993727.db2.gz FOGKAUCMDHAFIK-ZDUSSCGKSA-N 2 2 344.912 2.219 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1csc(Cl)n1 ZINC001479789969 1098993733 /nfs/dbraw/zinc/99/37/33/1098993733.db2.gz FOGKAUCMDHAFIK-ZDUSSCGKSA-N 2 2 344.912 2.219 10 0 EEAELP CC[C@H](C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001480160623 1099733218 /nfs/dbraw/zinc/73/32/18/1099733218.db2.gz IGXANMRGMOUQIY-BPUTZDHNSA-N 2 2 328.460 2.468 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001480189522 1099787566 /nfs/dbraw/zinc/78/75/66/1099787566.db2.gz OIILBWIRYNCQKF-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001480189522 1099787577 /nfs/dbraw/zinc/78/75/77/1099787577.db2.gz OIILBWIRYNCQKF-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480209186 1099818138 /nfs/dbraw/zinc/81/81/38/1099818138.db2.gz FQHGMPDUYCUSIY-BBWFWOEESA-N 2 2 345.447 2.204 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001480236548 1099866103 /nfs/dbraw/zinc/86/61/03/1099866103.db2.gz UGNVIALRBHPUAW-CALCHBBNSA-N 2 2 326.444 2.130 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001480287735 1099996284 /nfs/dbraw/zinc/99/62/84/1099996284.db2.gz VUTCUXPUFJLKKP-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001480342596 1100108219 /nfs/dbraw/zinc/10/82/19/1100108219.db2.gz VMXQOHHBOOELKU-IAGOWNOFSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001480342596 1100108223 /nfs/dbraw/zinc/10/82/23/1100108223.db2.gz VMXQOHHBOOELKU-IAGOWNOFSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1nc(C[NH2+]C2CCC(NC(=O)C[C@@H](C)n3cc[nH+]c3)CC2)co1 ZINC001480408866 1100225456 /nfs/dbraw/zinc/22/54/56/1100225456.db2.gz ZDPLBBIFLBEZRM-IUDNXUCKSA-N 2 2 345.447 2.348 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001480488978 1100299241 /nfs/dbraw/zinc/29/92/41/1100299241.db2.gz CKPFYVZEYKTQAF-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001480522827 1100351811 /nfs/dbraw/zinc/35/18/11/1100351811.db2.gz RNSSSYHCYKJEEE-FPZRGXOSSA-N 2 2 337.508 2.080 10 0 EEAELP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001480522827 1100351819 /nfs/dbraw/zinc/35/18/19/1100351819.db2.gz RNSSSYHCYKJEEE-FPZRGXOSSA-N 2 2 337.508 2.080 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001445114823 1100357104 /nfs/dbraw/zinc/35/71/04/1100357104.db2.gz OMFHEQWNKFAYMV-CVEARBPZSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495279735 1100977517 /nfs/dbraw/zinc/97/75/17/1100977517.db2.gz CWLIJNJCJBNZMY-LIRRHRJNSA-N 2 2 341.459 2.058 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495279735 1100977519 /nfs/dbraw/zinc/97/75/19/1100977519.db2.gz CWLIJNJCJBNZMY-LIRRHRJNSA-N 2 2 341.459 2.058 10 0 EEAELP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001496407568 1101000772 /nfs/dbraw/zinc/00/07/72/1101000772.db2.gz WOMSDPHQIGPSIY-IAGOWNOFSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001446560780 1101041422 /nfs/dbraw/zinc/04/14/22/1101041422.db2.gz UMGOQHJGMJLWGI-GOSISDBHSA-N 2 2 345.447 2.084 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001446560780 1101041431 /nfs/dbraw/zinc/04/14/31/1101041431.db2.gz UMGOQHJGMJLWGI-GOSISDBHSA-N 2 2 345.447 2.084 10 0 EEAELP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C)o2)C1)[NH+](CC)CC ZINC001446567918 1101051331 /nfs/dbraw/zinc/05/13/31/1101051331.db2.gz XETNZAHTNLTVDO-QAPCUYQASA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C)o2)C1)[NH+](CC)CC ZINC001446567918 1101051339 /nfs/dbraw/zinc/05/13/39/1101051339.db2.gz XETNZAHTNLTVDO-QAPCUYQASA-N 2 2 336.480 2.184 10 0 EEAELP CN(CC[N@H+](C)Cc1cccc(F)c1Cl)C(=O)[C@@H]1CCC[NH+]1C ZINC001496679914 1101278961 /nfs/dbraw/zinc/27/89/61/1101278961.db2.gz NQHKBLUAGYDOHI-HNNXBMFYSA-N 2 2 341.858 2.464 10 0 EEAELP CN(CC[N@@H+](C)Cc1cccc(F)c1Cl)C(=O)[C@@H]1CCC[NH+]1C ZINC001496679914 1101278967 /nfs/dbraw/zinc/27/89/67/1101278967.db2.gz NQHKBLUAGYDOHI-HNNXBMFYSA-N 2 2 341.858 2.464 10 0 EEAELP CN(CC[NH+](C)Cc1cccc(F)c1Cl)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001496679914 1101278971 /nfs/dbraw/zinc/27/89/71/1101278971.db2.gz NQHKBLUAGYDOHI-HNNXBMFYSA-N 2 2 341.858 2.464 10 0 EEAELP CN(CC[NH+](C)Cc1cccc(F)c1Cl)C(=O)[C@@H]1CCC[N@H+]1C ZINC001496679914 1101278976 /nfs/dbraw/zinc/27/89/76/1101278976.db2.gz NQHKBLUAGYDOHI-HNNXBMFYSA-N 2 2 341.858 2.464 10 0 EEAELP C[C@@H]1C[C@@H](C[N@H+](C)CCN(C)C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001496743620 1101385130 /nfs/dbraw/zinc/38/51/30/1101385130.db2.gz BVNMBSRZECHRNZ-CVEARBPZSA-N 2 2 344.459 2.153 10 0 EEAELP C[C@@H]1C[C@@H](C[N@@H+](C)CCN(C)C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001496743620 1101385137 /nfs/dbraw/zinc/38/51/37/1101385137.db2.gz BVNMBSRZECHRNZ-CVEARBPZSA-N 2 2 344.459 2.153 10 0 EEAELP C[C@H]([NH2+]CCF)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001447092395 1101975510 /nfs/dbraw/zinc/97/55/10/1101975510.db2.gz YHJNSFLLAJUCAQ-IAOVAPTHSA-N 2 2 344.434 2.460 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1C ZINC001497734721 1102985295 /nfs/dbraw/zinc/98/52/95/1102985295.db2.gz QTNPVDMNWABSDS-ARJAWSKDSA-N 2 2 330.407 2.170 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497916839 1103323585 /nfs/dbraw/zinc/32/35/85/1103323585.db2.gz LBQVMHYEWPXZGV-DJIMGWMZSA-N 2 2 326.444 2.127 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001447863120 1103470389 /nfs/dbraw/zinc/47/03/89/1103470389.db2.gz YUMHYEUHTADHQM-QWRGUYRKSA-N 2 2 335.477 2.099 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCc1ccccc1 ZINC001448043850 1103883050 /nfs/dbraw/zinc/88/30/50/1103883050.db2.gz IMQJXAXJWCLJBG-AEFFLSMTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCc1ccccc1 ZINC001448043850 1103883058 /nfs/dbraw/zinc/88/30/58/1103883058.db2.gz IMQJXAXJWCLJBG-AEFFLSMTSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1oncc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001448142519 1104095635 /nfs/dbraw/zinc/09/56/35/1104095635.db2.gz ILNYHJNEFVNBNW-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP Cc1oncc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001448142519 1104095645 /nfs/dbraw/zinc/09/56/45/1104095645.db2.gz ILNYHJNEFVNBNW-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001494660573 1104246319 /nfs/dbraw/zinc/24/63/19/1104246319.db2.gz QMBWJRQGZLBSCY-GJZGRUSLSA-N 2 2 334.464 2.215 10 0 EEAELP CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C[NH+](C)C)on1 ZINC001494660573 1104246322 /nfs/dbraw/zinc/24/63/22/1104246322.db2.gz QMBWJRQGZLBSCY-GJZGRUSLSA-N 2 2 334.464 2.215 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001494852425 1104456941 /nfs/dbraw/zinc/45/69/41/1104456941.db2.gz MIPILEBHFGKAAW-GDBMZVCRSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001494852425 1104456950 /nfs/dbraw/zinc/45/69/50/1104456950.db2.gz MIPILEBHFGKAAW-GDBMZVCRSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001494852425 1104456952 /nfs/dbraw/zinc/45/69/52/1104456952.db2.gz MIPILEBHFGKAAW-GDBMZVCRSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001494852425 1104456954 /nfs/dbraw/zinc/45/69/54/1104456954.db2.gz MIPILEBHFGKAAW-GDBMZVCRSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)CCCn1cc[nH+]c1 ZINC001498202364 1107073150 /nfs/dbraw/zinc/07/31/50/1107073150.db2.gz IJNRVNTYNGRWLN-ZDUSSCGKSA-N 2 2 335.839 2.006 10 0 EEAELP CC[N@H+](CCC[C@H]1CCOC1)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001492993742 1107275375 /nfs/dbraw/zinc/27/53/75/1107275375.db2.gz WEEBFRPUYPKNOG-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP CC[N@@H+](CCC[C@H]1CCOC1)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001492993742 1107275381 /nfs/dbraw/zinc/27/53/81/1107275381.db2.gz WEEBFRPUYPKNOG-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C)c1ccccc1F ZINC001498641456 1107873832 /nfs/dbraw/zinc/87/38/32/1107873832.db2.gz CIUNJABYRVPHHF-CQSZACIVSA-N 2 2 332.423 2.301 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001498661796 1107916173 /nfs/dbraw/zinc/91/61/73/1107916173.db2.gz ZJCWVWTWMRWLBS-OAHLLOKOSA-N 2 2 330.432 2.091 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2sccc2Cl)C1 ZINC001499099248 1108584907 /nfs/dbraw/zinc/58/49/07/1108584907.db2.gz AYMDINHSGOLEKI-OLZOCXBDSA-N 2 2 341.908 2.434 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2sccc2Cl)C1 ZINC001499099248 1108584916 /nfs/dbraw/zinc/58/49/16/1108584916.db2.gz AYMDINHSGOLEKI-OLZOCXBDSA-N 2 2 341.908 2.434 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2sccc2Cl)C1 ZINC001499099248 1108584926 /nfs/dbraw/zinc/58/49/26/1108584926.db2.gz AYMDINHSGOLEKI-OLZOCXBDSA-N 2 2 341.908 2.434 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@H+]2Cc2sccc2Cl)C1 ZINC001499099248 1108584928 /nfs/dbraw/zinc/58/49/28/1108584928.db2.gz AYMDINHSGOLEKI-OLZOCXBDSA-N 2 2 341.908 2.434 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001471485915 1110523149 /nfs/dbraw/zinc/52/31/49/1110523149.db2.gz PAEDJNTZOOPYTC-LJQANCHMSA-N 2 2 346.519 2.117 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCc2ccccc2C1 ZINC001471485915 1110523151 /nfs/dbraw/zinc/52/31/51/1110523151.db2.gz PAEDJNTZOOPYTC-LJQANCHMSA-N 2 2 346.519 2.117 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C2(CNC(=O)CCCn3cc[nH+]c3C)CC2)o1 ZINC001499382978 1112261723 /nfs/dbraw/zinc/26/17/23/1112261723.db2.gz MGDFNQKTBAYMET-AWEZNQCLSA-N 2 2 345.447 2.268 10 0 EEAELP C[C@@]1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC[N@H+](CC2CC2)C1 ZINC001500505754 1112897954 /nfs/dbraw/zinc/89/79/54/1112897954.db2.gz WKMHEGUCFUIEFX-LPHOPBHVSA-N 2 2 330.476 2.074 10 0 EEAELP C[C@@]1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC[N@@H+](CC2CC2)C1 ZINC001500505754 1112897956 /nfs/dbraw/zinc/89/79/56/1112897956.db2.gz WKMHEGUCFUIEFX-LPHOPBHVSA-N 2 2 330.476 2.074 10 0 EEAELP CCCCCC[N@@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001500698480 1113031865 /nfs/dbraw/zinc/03/18/65/1113031865.db2.gz VCLCFBBWLYCRTL-IBGZPJMESA-N 2 2 344.459 2.081 10 0 EEAELP CCCCCC[N@H+]1CC[C@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001500698480 1113031869 /nfs/dbraw/zinc/03/18/69/1113031869.db2.gz VCLCFBBWLYCRTL-IBGZPJMESA-N 2 2 344.459 2.081 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001501399656 1113342844 /nfs/dbraw/zinc/34/28/44/1113342844.db2.gz JUSPGCGVRFATDJ-IRXDYDNUSA-N 2 2 346.475 2.069 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001501399656 1113342847 /nfs/dbraw/zinc/34/28/47/1113342847.db2.gz JUSPGCGVRFATDJ-IRXDYDNUSA-N 2 2 346.475 2.069 10 0 EEAELP C[C@H](CC(=O)N1CCO[C@H](C[NH2+]CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001502079022 1113579447 /nfs/dbraw/zinc/57/94/47/1113579447.db2.gz JANHYMRJMYNJHA-SJLPKXTDSA-N 2 2 348.491 2.232 10 0 EEAELP CC(C)[C@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncs1 ZINC001506482016 1114640657 /nfs/dbraw/zinc/64/06/57/1114640657.db2.gz CUTMBHPLPUCOQG-HNNXBMFYSA-N 2 2 335.477 2.003 10 0 EEAELP CC(C)C[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCF)C2)n1cc[nH+]c1 ZINC001506862902 1114929782 /nfs/dbraw/zinc/92/97/82/1114929782.db2.gz HRPBMHIGJHMHHG-MRXNPFEDSA-N 2 2 336.455 2.364 10 0 EEAELP CC(C)C[C@H](C(=O)N1CC2(C1)CCC[N@@H+](CCF)C2)n1cc[nH+]c1 ZINC001506862902 1114929786 /nfs/dbraw/zinc/92/97/86/1114929786.db2.gz HRPBMHIGJHMHHG-MRXNPFEDSA-N 2 2 336.455 2.364 10 0 EEAELP C[C@H](CCC[NH2+]Cc1cc(F)ccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001506951565 1115000113 /nfs/dbraw/zinc/00/01/13/1115000113.db2.gz UPNAOAZQZGVCKT-CYBMUJFWSA-N 2 2 336.386 2.236 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001507092861 1115104462 /nfs/dbraw/zinc/10/44/62/1115104462.db2.gz QVAQWWNOXLMOJB-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001507137156 1115128054 /nfs/dbraw/zinc/12/80/54/1115128054.db2.gz UHCWLLIMBHDMKQ-MRXNPFEDSA-N 2 2 328.460 2.330 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)Cn1cc[nH+]c1 ZINC001508042662 1115398822 /nfs/dbraw/zinc/39/88/22/1115398822.db2.gz FIUUUOYMAWMQCH-KGLIPLIRSA-N 2 2 342.434 2.439 10 0 EEAELP CC[C@@H](C(=O)NC1(C[NH2+]CC(F)(F)C(F)F)CCCC1)[NH+](C)C ZINC001568007630 1124227294 /nfs/dbraw/zinc/22/72/94/1124227294.db2.gz ATGFGYQWOCGBMQ-NSHDSACASA-N 2 2 341.393 2.246 10 0 EEAELP C[C@@H](F)CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001568121572 1124315052 /nfs/dbraw/zinc/31/50/52/1124315052.db2.gz FNKINTCICMRQPO-CQSZACIVSA-N 2 2 332.423 2.117 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)Cn2cc[nH+]c2)cc1 ZINC001568153263 1124327532 /nfs/dbraw/zinc/32/75/32/1124327532.db2.gz OZJGLQUKVYCHAM-LJQANCHMSA-N 2 2 340.471 2.269 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001568206331 1124354480 /nfs/dbraw/zinc/35/44/80/1124354480.db2.gz UYKLEOJBSOAPCI-CYBMUJFWSA-N 2 2 348.878 2.499 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC001568366465 1124439723 /nfs/dbraw/zinc/43/97/23/1124439723.db2.gz XVNKODZCQRHJMS-APWZRJJASA-N 2 2 340.471 2.412 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001568951634 1124986067 /nfs/dbraw/zinc/98/60/67/1124986067.db2.gz QJIYYDYGSLNSTB-LHRDXKRPSA-N 2 2 342.418 2.051 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)CCc1c[nH+]cn1C ZINC001569095266 1125094698 /nfs/dbraw/zinc/09/46/98/1125094698.db2.gz XUTLDCSLSCUAMV-AWEZNQCLSA-N 2 2 348.878 2.343 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@@H](C[NH2+]CCC3CC3)C3CC3)[nH+]c12 ZINC001569324275 1125230087 /nfs/dbraw/zinc/23/00/87/1125230087.db2.gz OTSBCJJWUGMJIP-SFHVURJKSA-N 2 2 340.471 2.470 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051951986 214109487 /nfs/dbraw/zinc/10/94/87/214109487.db2.gz FGVCIWCRXPOUNZ-UHFFFAOYSA-N 2 2 341.455 2.233 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415948759 529898022 /nfs/dbraw/zinc/89/80/22/529898022.db2.gz ANYUNDUZTYELGX-UHFFFAOYSA-N 2 2 331.395 2.222 10 0 EEAELP CC(C)CNC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271307 539991738 /nfs/dbraw/zinc/99/17/38/539991738.db2.gz BYCOEEAWIGIXTL-AAEUAGOBSA-N 2 2 325.482 2.090 10 0 EEAELP CC(C)CNC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271307 539991741 /nfs/dbraw/zinc/99/17/41/539991741.db2.gz BYCOEEAWIGIXTL-AAEUAGOBSA-N 2 2 325.482 2.090 10 0 EEAELP FC(F)Oc1ccccc1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423069544 240350332 /nfs/dbraw/zinc/35/03/32/240350332.db2.gz LXZAAPZIOSAVGB-JKSUJKDBSA-N 2 2 326.387 2.187 10 0 EEAELP Fc1ccc(Br)cc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422802417 240235755 /nfs/dbraw/zinc/23/57/55/240235755.db2.gz BHYHXSYQBLMTTF-HUUCEWRRSA-N 2 2 343.240 2.445 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@@H](CO)c2cccnc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423120789 240373836 /nfs/dbraw/zinc/37/38/36/240373836.db2.gz HPDDBZPADWDQRY-SXLOBPIMSA-N 2 2 341.455 2.249 10 0 EEAELP COC[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423153393 240386154 /nfs/dbraw/zinc/38/61/54/240386154.db2.gz NHPLLLIVSAHOGN-RYQLBKOJSA-N 2 2 338.879 2.427 10 0 EEAELP O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000426820514 241343381 /nfs/dbraw/zinc/34/33/81/241343381.db2.gz ZLODRZKZWLMPEN-PMACEKPBSA-N 2 2 341.499 2.453 10 0 EEAELP C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000095364969 218298096 /nfs/dbraw/zinc/29/80/96/218298096.db2.gz LGYUEWZQAKVYLN-LBPRGKRZSA-N 2 2 333.461 2.158 10 0 EEAELP COc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178298980 533602079 /nfs/dbraw/zinc/60/20/79/533602079.db2.gz NFIJROWEWFGKIA-MRXNPFEDSA-N 2 2 328.416 2.303 10 0 EEAELP COc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178298980 533602085 /nfs/dbraw/zinc/60/20/85/533602085.db2.gz NFIJROWEWFGKIA-MRXNPFEDSA-N 2 2 328.416 2.303 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000339566379 286304777 /nfs/dbraw/zinc/30/47/77/286304777.db2.gz JYOHDPURXLQCIJ-IAGOWNOFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000339566379 286304778 /nfs/dbraw/zinc/30/47/78/286304778.db2.gz JYOHDPURXLQCIJ-IAGOWNOFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000339566379 286304780 /nfs/dbraw/zinc/30/47/80/286304780.db2.gz JYOHDPURXLQCIJ-IAGOWNOFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](C)[C@H]3C)CC2)cc1 ZINC000339566379 286304781 /nfs/dbraw/zinc/30/47/81/286304781.db2.gz JYOHDPURXLQCIJ-IAGOWNOFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(OC)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000374322438 154051618 /nfs/dbraw/zinc/05/16/18/154051618.db2.gz CZZOZLDOGHXFMO-APWZRJJASA-N 2 2 347.503 2.162 10 0 EEAELP COc1ccc(OC)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000374322438 154051622 /nfs/dbraw/zinc/05/16/22/154051622.db2.gz CZZOZLDOGHXFMO-APWZRJJASA-N 2 2 347.503 2.162 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCSCC2)CC1 ZINC000129085914 292351981 /nfs/dbraw/zinc/35/19/81/292351981.db2.gz ZYHFVKFNOOLWIK-QGZVFWFLSA-N 2 2 347.528 2.331 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCSCC2)CC1 ZINC000129085914 292351982 /nfs/dbraw/zinc/35/19/82/292351982.db2.gz ZYHFVKFNOOLWIK-QGZVFWFLSA-N 2 2 347.528 2.331 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000067646163 159012903 /nfs/dbraw/zinc/01/29/03/159012903.db2.gz ZHZSSWFWWDJAEM-HNNXBMFYSA-N 2 2 345.422 2.295 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000067646163 159012904 /nfs/dbraw/zinc/01/29/04/159012904.db2.gz ZHZSSWFWWDJAEM-HNNXBMFYSA-N 2 2 345.422 2.295 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CCC([NH+](C)C)CC3)cn2c1 ZINC000120670611 159393788 /nfs/dbraw/zinc/39/37/88/159393788.db2.gz RUUUTUJQNAKKQX-UHFFFAOYSA-N 2 2 346.500 2.429 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@](C)([NH3+])c2ccccc2)cn1 ZINC000192517636 160171440 /nfs/dbraw/zinc/17/14/40/160171440.db2.gz IPKCOMOTTVXMKB-IBGZPJMESA-N 2 2 335.411 2.066 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)CC2)[nH+]c1 ZINC000195046653 160204888 /nfs/dbraw/zinc/20/48/88/160204888.db2.gz IFYJJIPXAPUJEE-SFHVURJKSA-N 2 2 342.487 2.303 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)CC2)[nH+]c1 ZINC000195046653 160204889 /nfs/dbraw/zinc/20/48/89/160204889.db2.gz IFYJJIPXAPUJEE-SFHVURJKSA-N 2 2 342.487 2.303 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000245440316 160235664 /nfs/dbraw/zinc/23/56/64/160235664.db2.gz UJWGIYYOVBCULF-PIIMJCKOSA-N 2 2 333.520 2.489 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000246745356 160292972 /nfs/dbraw/zinc/29/29/72/160292972.db2.gz NADNPAZLVOPHSD-MCIONIFRSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000246745356 160292973 /nfs/dbraw/zinc/29/29/73/160292973.db2.gz NADNPAZLVOPHSD-MCIONIFRSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[NH+]1C ZINC000246745356 160292975 /nfs/dbraw/zinc/29/29/75/160292975.db2.gz NADNPAZLVOPHSD-MCIONIFRSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[NH+]1C ZINC000246745356 160292977 /nfs/dbraw/zinc/29/29/77/160292977.db2.gz NADNPAZLVOPHSD-MCIONIFRSA-N 2 2 335.414 2.202 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](Cc2ccco2)CC1 ZINC000346146672 161361025 /nfs/dbraw/zinc/36/10/25/161361025.db2.gz IINPNZYLKJOIOQ-UHFFFAOYSA-N 2 2 337.427 2.487 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2ccco2)CC1 ZINC000346146672 161361026 /nfs/dbraw/zinc/36/10/26/161361026.db2.gz IINPNZYLKJOIOQ-UHFFFAOYSA-N 2 2 337.427 2.487 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](CO)c3ccsc3)c2cc1C ZINC000352032352 162037422 /nfs/dbraw/zinc/03/74/22/162037422.db2.gz LATKYGWPSKWZGR-NVXWUHKLSA-N 2 2 345.468 2.399 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000353436875 162563385 /nfs/dbraw/zinc/56/33/85/162563385.db2.gz AMHFKCAWGVXSCA-ZIAGYGMSSA-N 2 2 331.451 2.343 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2csc(C)n2)CC1 ZINC000360611633 164350979 /nfs/dbraw/zinc/35/09/79/164350979.db2.gz FXFYIQWAYTYDFY-MRXNPFEDSA-N 2 2 336.505 2.189 10 0 EEAELP c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000369092318 166186783 /nfs/dbraw/zinc/18/67/83/166186783.db2.gz BHXONBKHYZMEAR-GOSISDBHSA-N 2 2 340.471 2.417 10 0 EEAELP c1cc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000369092318 166186785 /nfs/dbraw/zinc/18/67/85/166186785.db2.gz BHXONBKHYZMEAR-GOSISDBHSA-N 2 2 340.471 2.417 10 0 EEAELP COC(=O)CCn1nc(C)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1C ZINC000371335761 166584118 /nfs/dbraw/zinc/58/41/18/166584118.db2.gz LURPKKKLJPYJRK-UHFFFAOYSA-N 2 2 345.447 2.166 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914379 274040163 /nfs/dbraw/zinc/04/01/63/274040163.db2.gz RJBSEXPKSFNOMF-MAUKXSAKSA-N 2 2 345.443 2.079 10 0 EEAELP Cn1c[nH+]cc1CC[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000290145515 275184102 /nfs/dbraw/zinc/18/41/02/275184102.db2.gz WFPGAYNQIBLICV-INIZCTEOSA-N 2 2 332.835 2.353 10 0 EEAELP Cn1c[nH+]cc1CC[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000290145515 275184103 /nfs/dbraw/zinc/18/41/03/275184103.db2.gz WFPGAYNQIBLICV-INIZCTEOSA-N 2 2 332.835 2.353 10 0 EEAELP Cc1cccn2cc(CNC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[nH+]c12 ZINC000290816625 275242963 /nfs/dbraw/zinc/24/29/63/275242963.db2.gz OHHRAABNMDANKM-SFHVURJKSA-N 2 2 332.423 2.471 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)CC1 ZINC000225484521 277029077 /nfs/dbraw/zinc/02/90/77/277029077.db2.gz JDGGGRIYJAIWNZ-INIZCTEOSA-N 2 2 333.407 2.451 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H]3COC(=O)N3c3cc(F)ccc3C2)CC1 ZINC000225484521 277029078 /nfs/dbraw/zinc/02/90/78/277029078.db2.gz JDGGGRIYJAIWNZ-INIZCTEOSA-N 2 2 333.407 2.451 10 0 EEAELP CC(C[NH+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357725081 278156203 /nfs/dbraw/zinc/15/62/03/278156203.db2.gz BZHHUEDGAMLQMW-UAFMIMERSA-N 4 2 338.584 2.452 10 0 EEAELP CC(C[NH+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357725081 278156204 /nfs/dbraw/zinc/15/62/04/278156204.db2.gz BZHHUEDGAMLQMW-UAFMIMERSA-N 4 2 338.584 2.452 10 0 EEAELP CC(C[NH+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357725081 278156207 /nfs/dbraw/zinc/15/62/07/278156207.db2.gz BZHHUEDGAMLQMW-UAFMIMERSA-N 4 2 338.584 2.452 10 0 EEAELP CC(C[NH+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357725081 278156208 /nfs/dbraw/zinc/15/62/08/278156208.db2.gz BZHHUEDGAMLQMW-UAFMIMERSA-N 4 2 338.584 2.452 10 0 EEAELP CC(CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357725081 278156210 /nfs/dbraw/zinc/15/62/10/278156210.db2.gz BZHHUEDGAMLQMW-UAFMIMERSA-N 3 2 338.584 2.452 10 0 EEAELP CC(CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C[NH+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357725081 278156212 /nfs/dbraw/zinc/15/62/12/278156212.db2.gz BZHHUEDGAMLQMW-UAFMIMERSA-N 3 2 338.584 2.452 10 0 EEAELP CC(CN(C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357725081 278156214 /nfs/dbraw/zinc/15/62/14/278156214.db2.gz BZHHUEDGAMLQMW-UAFMIMERSA-N 3 2 338.584 2.452 10 0 EEAELP CC(CN(C)[C@@H]1CC[NH+](C)[C@H](C)C1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000357725081 278156217 /nfs/dbraw/zinc/15/62/17/278156217.db2.gz BZHHUEDGAMLQMW-UAFMIMERSA-N 3 2 338.584 2.452 10 0 EEAELP Cn1ncc2c1nc(N1CCC[C@H](C[NH+]3CCCCCC3)C1)[nH+]c2N ZINC000302566135 294960379 /nfs/dbraw/zinc/96/03/79/294960379.db2.gz OPXFHMTYWSBNPJ-CQSZACIVSA-N 2 2 343.479 2.038 10 0 EEAELP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H](c1ccccc1)N1CCOCC1 ZINC000414127128 312973142 /nfs/dbraw/zinc/97/31/42/312973142.db2.gz PODOONZBGXFSIE-QFBILLFUSA-N 2 2 328.460 2.014 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)n1C ZINC000414363600 313005728 /nfs/dbraw/zinc/00/57/28/313005728.db2.gz GVXNQFWWTNEFRW-SJORKVTESA-N 2 2 349.429 2.299 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]([NH3+])C3CC3)c2C)cc1 ZINC000414891875 313108197 /nfs/dbraw/zinc/10/81/97/313108197.db2.gz OTWDGHFRBNPKLK-IBGZPJMESA-N 2 2 328.460 2.384 10 0 EEAELP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417078783 313415833 /nfs/dbraw/zinc/41/58/33/313415833.db2.gz QKTRKNDDYXJZEY-MAUKXSAKSA-N 2 2 341.459 2.343 10 0 EEAELP Cc1cc(C)c(C(=O)NC2CC[NH+](CCCn3cc[nH+]c3)CC2)o1 ZINC000527576231 317219848 /nfs/dbraw/zinc/21/98/48/317219848.db2.gz AWEDTZBMRVQGEZ-UHFFFAOYSA-N 2 2 330.432 2.377 10 0 EEAELP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@@H+]1CCCC[C@@H]1C ZINC000538706833 318042257 /nfs/dbraw/zinc/04/22/57/318042257.db2.gz GSEZPHMDOFZSGX-GJZGRUSLSA-N 2 2 327.432 2.260 10 0 EEAELP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@H+]1CCCC[C@@H]1C ZINC000538706833 318042259 /nfs/dbraw/zinc/04/22/59/318042259.db2.gz GSEZPHMDOFZSGX-GJZGRUSLSA-N 2 2 327.432 2.260 10 0 EEAELP C[C@H](O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000547363277 318282207 /nfs/dbraw/zinc/28/22/07/318282207.db2.gz WHRRIAJRNBFDNM-DZKIICNBSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000547363277 318282209 /nfs/dbraw/zinc/28/22/09/318282209.db2.gz WHRRIAJRNBFDNM-DZKIICNBSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000562371896 318875052 /nfs/dbraw/zinc/87/50/52/318875052.db2.gz AWNYAHZHXKCTBA-CQSZACIVSA-N 2 2 339.443 2.184 10 0 EEAELP CCc1onc(C)c1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000567625947 319398763 /nfs/dbraw/zinc/39/87/63/319398763.db2.gz MNDJLDWHCXXDNY-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP CCc1onc(C)c1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000567625947 319398766 /nfs/dbraw/zinc/39/87/66/319398766.db2.gz MNDJLDWHCXXDNY-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP COC(=O)c1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c(C)o1 ZINC000570106173 319636481 /nfs/dbraw/zinc/63/64/81/319636481.db2.gz NPTYQATURJVGAJ-UHFFFAOYSA-N 2 2 345.399 2.100 10 0 EEAELP Clc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-n2cncn2)c1 ZINC000574276958 320012017 /nfs/dbraw/zinc/01/20/17/320012017.db2.gz KOQKQJRPXMZXGP-KRWDZBQOSA-N 2 2 331.851 2.496 10 0 EEAELP Clc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-n2cncn2)c1 ZINC000574276958 320012019 /nfs/dbraw/zinc/01/20/19/320012019.db2.gz KOQKQJRPXMZXGP-KRWDZBQOSA-N 2 2 331.851 2.496 10 0 EEAELP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000182373254 323374020 /nfs/dbraw/zinc/37/40/20/323374020.db2.gz MOGRDVWYCNXGLX-QZTJIDSGSA-N 2 2 347.484 2.377 10 0 EEAELP C[C@H](c1cccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000581319371 324230063 /nfs/dbraw/zinc/23/00/63/324230063.db2.gz YXWHTQJOCVNRMZ-JKSUJKDBSA-N 2 2 331.460 2.360 10 0 EEAELP C[C@H](c1cccc(NC(=O)C[N@H+]2CC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000581319371 324230067 /nfs/dbraw/zinc/23/00/67/324230067.db2.gz YXWHTQJOCVNRMZ-JKSUJKDBSA-N 2 2 331.460 2.360 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000296130948 465091481 /nfs/dbraw/zinc/09/14/81/465091481.db2.gz CQFKQBUUMMKGCB-UHFFFAOYSA-N 2 2 338.415 2.147 10 0 EEAELP CC(C)CN(CC[NH+](C)C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000341355463 465126777 /nfs/dbraw/zinc/12/67/77/465126777.db2.gz MPSIPEQNFCUCFN-UHFFFAOYSA-N 2 2 349.401 2.175 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000337289920 465288474 /nfs/dbraw/zinc/28/84/74/465288474.db2.gz NWACSUHXFCTWIV-IBGZPJMESA-N 2 2 338.455 2.342 10 0 EEAELP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000046288366 462668373 /nfs/dbraw/zinc/66/83/73/462668373.db2.gz WUTMBJWASLCEGR-INIZCTEOSA-N 2 2 347.507 2.459 10 0 EEAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000046288366 462668375 /nfs/dbraw/zinc/66/83/75/462668375.db2.gz WUTMBJWASLCEGR-INIZCTEOSA-N 2 2 347.507 2.459 10 0 EEAELP C[C@H]1CC[C@H](C)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076149755 462815159 /nfs/dbraw/zinc/81/51/59/462815159.db2.gz CKHSMRPEXSSPIE-IRXDYDNUSA-N 2 2 330.476 2.241 10 0 EEAELP C[C@H]1CC[C@H](C)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076149755 462815166 /nfs/dbraw/zinc/81/51/66/462815166.db2.gz CKHSMRPEXSSPIE-IRXDYDNUSA-N 2 2 330.476 2.241 10 0 EEAELP Cc1nn(C)c(C)c1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000092175282 462929572 /nfs/dbraw/zinc/92/95/72/462929572.db2.gz UGJKMZWYVMRNIR-HXUWFJFHSA-N 2 2 341.503 2.115 10 0 EEAELP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]c(N(C)C)n3)CC2)oc1C ZINC000077220476 462955743 /nfs/dbraw/zinc/95/57/43/462955743.db2.gz IGGNRXOPIKGPJH-UHFFFAOYSA-N 2 2 344.463 2.472 10 0 EEAELP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134089722 463002251 /nfs/dbraw/zinc/00/22/51/463002251.db2.gz JMTHRHJYVOBCJG-IAGOWNOFSA-N 2 2 347.507 2.260 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000139456304 463325432 /nfs/dbraw/zinc/32/54/32/463325432.db2.gz JACWQHFSGLEBEF-HOTGVXAUSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000139456304 463325434 /nfs/dbraw/zinc/32/54/34/463325434.db2.gz JACWQHFSGLEBEF-HOTGVXAUSA-N 2 2 345.422 2.042 10 0 EEAELP CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000056864183 463429297 /nfs/dbraw/zinc/42/92/97/463429297.db2.gz SAMXXICAUZDHHK-UHFFFAOYSA-N 2 2 347.507 2.409 10 0 EEAELP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000056864183 463429305 /nfs/dbraw/zinc/42/93/05/463429305.db2.gz SAMXXICAUZDHHK-UHFFFAOYSA-N 2 2 347.507 2.409 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151248692 463500706 /nfs/dbraw/zinc/50/07/06/463500706.db2.gz VMLMGPTVIOIEMP-PKOBYXMFSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151276692 463505829 /nfs/dbraw/zinc/50/58/29/463505829.db2.gz IUEKWMPKAJDMOD-IEBWSBKVSA-N 3 2 349.519 2.124 10 0 EEAELP Cc1cc2n(n1)C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc3ccccc3)C1)CN2 ZINC000058332741 463581389 /nfs/dbraw/zinc/58/13/89/463581389.db2.gz VIIKLDPLAOZBQS-ROUUACIJSA-N 2 2 325.460 2.097 10 0 EEAELP Cc1cc2n(n1)C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C1)CN2 ZINC000058332741 463581393 /nfs/dbraw/zinc/58/13/93/463581393.db2.gz VIIKLDPLAOZBQS-ROUUACIJSA-N 2 2 325.460 2.097 10 0 EEAELP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)c(OC)c(F)c3)C2)CC1 ZINC000170611933 463684196 /nfs/dbraw/zinc/68/41/96/463684196.db2.gz ZZSRCDKYZADASK-OAHLLOKOSA-N 2 2 339.430 2.185 10 0 EEAELP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)c(OC)c(F)c3)C2)CC1 ZINC000170611933 463684197 /nfs/dbraw/zinc/68/41/97/463684197.db2.gz ZZSRCDKYZADASK-OAHLLOKOSA-N 2 2 339.430 2.185 10 0 EEAELP CC[NH+]1CCN(CCCNc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000112074243 463690319 /nfs/dbraw/zinc/69/03/19/463690319.db2.gz YONZZHKBBHEHPA-UHFFFAOYSA-N 2 2 340.475 2.287 10 0 EEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000193692416 463728875 /nfs/dbraw/zinc/72/88/75/463728875.db2.gz GLOSWPPBWLEJGF-GJZGRUSLSA-N 2 2 349.475 2.495 10 0 EEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000193692416 463728879 /nfs/dbraw/zinc/72/88/79/463728879.db2.gz GLOSWPPBWLEJGF-GJZGRUSLSA-N 2 2 349.475 2.495 10 0 EEAELP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000177854462 463804176 /nfs/dbraw/zinc/80/41/76/463804176.db2.gz MQCJDAVKWAIXNH-MRXNPFEDSA-N 2 2 345.491 2.034 10 0 EEAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000177854462 463804180 /nfs/dbraw/zinc/80/41/80/463804180.db2.gz MQCJDAVKWAIXNH-MRXNPFEDSA-N 2 2 345.491 2.034 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000279262932 464082710 /nfs/dbraw/zinc/08/27/10/464082710.db2.gz IKOAAJANBSHGQZ-KRWDZBQOSA-N 2 2 345.487 2.075 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292274603 464182000 /nfs/dbraw/zinc/18/20/00/464182000.db2.gz ZZQCZEPWHMKPNT-RZQQEMMASA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292274603 464182005 /nfs/dbraw/zinc/18/20/05/464182005.db2.gz ZZQCZEPWHMKPNT-RZQQEMMASA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292274603 464182010 /nfs/dbraw/zinc/18/20/10/464182010.db2.gz ZZQCZEPWHMKPNT-RZQQEMMASA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292274603 464182013 /nfs/dbraw/zinc/18/20/13/464182013.db2.gz ZZQCZEPWHMKPNT-RZQQEMMASA-N 2 2 327.472 2.380 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246007247 464533555 /nfs/dbraw/zinc/53/35/55/464533555.db2.gz SPQHMUJJTPSWAQ-DOTOQJQBSA-N 2 2 339.842 2.483 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246007247 464533559 /nfs/dbraw/zinc/53/35/59/464533559.db2.gz SPQHMUJJTPSWAQ-DOTOQJQBSA-N 2 2 339.842 2.483 10 0 EEAELP CCc1ccnc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000181959409 464542223 /nfs/dbraw/zinc/54/22/23/464542223.db2.gz JLXQLLIBIMXZHK-JWTNVVGKSA-N 2 2 342.487 2.027 10 0 EEAELP CCc1ccnc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000181959409 464542227 /nfs/dbraw/zinc/54/22/27/464542227.db2.gz JLXQLLIBIMXZHK-JWTNVVGKSA-N 2 2 342.487 2.027 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000175475170 464557770 /nfs/dbraw/zinc/55/77/70/464557770.db2.gz CXNREOWINBEJJH-HZPDHXFCSA-N 2 2 333.480 2.307 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000175475170 464557772 /nfs/dbraw/zinc/55/77/72/464557772.db2.gz CXNREOWINBEJJH-HZPDHXFCSA-N 2 2 333.480 2.307 10 0 EEAELP O=C(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000265461824 464567931 /nfs/dbraw/zinc/56/79/31/464567931.db2.gz FSKYQDOUAVKWMP-UHFFFAOYSA-N 2 2 342.399 2.347 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266719329 464798206 /nfs/dbraw/zinc/79/82/06/464798206.db2.gz HBFTWHYUWZDAFE-UHFFFAOYSA-N 2 2 341.415 2.186 10 0 EEAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@](C)(O)C(=O)OC)CC1 ZINC000343704213 465544719 /nfs/dbraw/zinc/54/47/19/465544719.db2.gz DRVAXRUQLOHMFX-IBGZPJMESA-N 2 2 345.443 2.160 10 0 EEAELP Cn1nc2c(c1C[NH2+]C1CC[NH+](Cc3ccccn3)CC1)CCCC2 ZINC000360997294 465691846 /nfs/dbraw/zinc/69/18/46/465691846.db2.gz CCBJJVURGRJVSD-UHFFFAOYSA-N 2 2 339.487 2.448 10 0 EEAELP CCCNC(=O)C[N@H+](CCC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346187899 465974904 /nfs/dbraw/zinc/97/49/04/465974904.db2.gz XQPYDZAFFSCVHS-UHFFFAOYSA-N 2 2 329.448 2.314 10 0 EEAELP CCCNC(=O)C[N@@H+](CCC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346187899 465974912 /nfs/dbraw/zinc/97/49/12/465974912.db2.gz XQPYDZAFFSCVHS-UHFFFAOYSA-N 2 2 329.448 2.314 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000361588311 466122304 /nfs/dbraw/zinc/12/23/04/466122304.db2.gz MEEJRAHJXVEUCN-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000361588311 466122310 /nfs/dbraw/zinc/12/23/10/466122310.db2.gz MEEJRAHJXVEUCN-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP O[C@@H](COCc1ccccc1F)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372169330 466200746 /nfs/dbraw/zinc/20/07/46/466200746.db2.gz MRDFKMVSJNAVOU-MRXNPFEDSA-N 2 2 333.407 2.306 10 0 EEAELP COC(=O)[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000340619764 466216431 /nfs/dbraw/zinc/21/64/31/466216431.db2.gz LRMSKISFNSSRGF-SFHVURJKSA-N 2 2 332.444 2.201 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)[C@H]2CCC[C@H]21 ZINC000367596975 466438321 /nfs/dbraw/zinc/43/83/21/466438321.db2.gz KVPRXXDGSMYJJN-IXDOHACOSA-N 2 2 341.459 2.346 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)[C@H]2CCC[C@H]21 ZINC000367596975 466438325 /nfs/dbraw/zinc/43/83/25/466438325.db2.gz KVPRXXDGSMYJJN-IXDOHACOSA-N 2 2 341.459 2.346 10 0 EEAELP C/C=C\c1ccc(OC[C@H](O)C[NH+]2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000338940524 466505107 /nfs/dbraw/zinc/50/51/07/466505107.db2.gz PKJCHUQUPWSZIA-OOFWQKGWSA-N 2 2 348.487 2.494 10 0 EEAELP Brc1cccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423170246 466694035 /nfs/dbraw/zinc/69/40/35/466694035.db2.gz XPPPTYNWXPLQEH-CVEARBPZSA-N 2 2 339.277 2.348 10 0 EEAELP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423250377 466703889 /nfs/dbraw/zinc/70/38/89/466703889.db2.gz UXFMYACHXLFUPT-KBXCAEBGSA-N 2 2 347.484 2.288 10 0 EEAELP COC[C@]1(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)CCC[NH2+]1 ZINC000423441807 466751163 /nfs/dbraw/zinc/75/11/63/466751163.db2.gz WFVWLPUZQOBXRQ-SUMWQHHRSA-N 2 2 349.866 2.340 10 0 EEAELP CC[C@H](C)[C@H](OC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000373535788 466837071 /nfs/dbraw/zinc/83/70/71/466837071.db2.gz MLCQXPKPHJLELX-IRXDYDNUSA-N 2 2 339.524 2.114 10 0 EEAELP O=C1O[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC12CC2 ZINC000375696981 466865294 /nfs/dbraw/zinc/86/52/94/466865294.db2.gz KXBQPFSYVZXUSJ-ZBFHGGJFSA-N 2 2 329.444 2.495 10 0 EEAELP O=C1O[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC12CC2 ZINC000375696981 466865298 /nfs/dbraw/zinc/86/52/98/466865298.db2.gz KXBQPFSYVZXUSJ-ZBFHGGJFSA-N 2 2 329.444 2.495 10 0 EEAELP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000423940531 466921468 /nfs/dbraw/zinc/92/14/68/466921468.db2.gz NQTQQECBHIYBCN-RBUKOAKNSA-N 2 2 345.487 2.008 10 0 EEAELP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000423940531 466921471 /nfs/dbraw/zinc/92/14/71/466921471.db2.gz NQTQQECBHIYBCN-RBUKOAKNSA-N 2 2 345.487 2.008 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)c1 ZINC000417931158 466990305 /nfs/dbraw/zinc/99/03/05/466990305.db2.gz LCQKBYSTXQQKRM-INMHGKMJSA-N 2 2 329.448 2.276 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004295 467018776 /nfs/dbraw/zinc/01/87/76/467018776.db2.gz YVHFPAIAPUMSSO-LKTVYLICSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004295 467018777 /nfs/dbraw/zinc/01/87/77/467018777.db2.gz YVHFPAIAPUMSSO-LKTVYLICSA-N 2 2 342.846 2.261 10 0 EEAELP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418450097 467112618 /nfs/dbraw/zinc/11/26/18/467112618.db2.gz UMTMMDXZHCVRDN-HZPDHXFCSA-N 2 2 347.507 2.482 10 0 EEAELP C[C@@H](CC[NH3+])NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000418529633 467124057 /nfs/dbraw/zinc/12/40/57/467124057.db2.gz QDLKRRIHFIRPIB-KBPBESRZSA-N 2 2 338.883 2.466 10 0 EEAELP C[NH+]1CCN(c2ccc(NCc3ccc(-c4cc[nH]n4)o3)[nH+]c2)CC1 ZINC000432752056 467261720 /nfs/dbraw/zinc/26/17/20/467261720.db2.gz HYYZZJQEBDQAJY-UHFFFAOYSA-N 2 2 338.415 2.429 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000391955184 467424023 /nfs/dbraw/zinc/42/40/23/467424023.db2.gz VXUUUMRVMBZXKE-SJLPKXTDSA-N 2 2 333.451 2.248 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000391955184 467424027 /nfs/dbraw/zinc/42/40/27/467424027.db2.gz VXUUUMRVMBZXKE-SJLPKXTDSA-N 2 2 333.451 2.248 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000453309073 467478559 /nfs/dbraw/zinc/47/85/59/467478559.db2.gz OVWXHPPYDVEMLS-OSMZGAPFSA-N 2 2 327.270 2.145 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000453309073 467478564 /nfs/dbraw/zinc/47/85/64/467478564.db2.gz OVWXHPPYDVEMLS-OSMZGAPFSA-N 2 2 327.270 2.145 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449243559 467625264 /nfs/dbraw/zinc/62/52/64/467625264.db2.gz LRPHLNWJGJUWKH-INIZCTEOSA-N 2 2 339.411 2.245 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449243559 467625266 /nfs/dbraw/zinc/62/52/66/467625266.db2.gz LRPHLNWJGJUWKH-INIZCTEOSA-N 2 2 339.411 2.245 10 0 EEAELP CC(C)[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCCCCC1 ZINC000457627044 467665728 /nfs/dbraw/zinc/66/57/28/467665728.db2.gz SWJSWPBGJLYXIE-QGZVFWFLSA-N 2 2 335.496 2.162 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[NH+](C)C ZINC000455428827 467680313 /nfs/dbraw/zinc/68/03/13/467680313.db2.gz IGMJZIWLGGTCTL-GJZGRUSLSA-N 2 2 333.480 2.059 10 0 EEAELP C[N@H+](C[C@@H](O)CC1(O)CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000528517010 467692606 /nfs/dbraw/zinc/69/26/06/467692606.db2.gz LSFQVYYIKQQWKQ-AWEZNQCLSA-N 2 2 338.414 2.001 10 0 EEAELP C[N@@H+](C[C@@H](O)CC1(O)CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000528517010 467692609 /nfs/dbraw/zinc/69/26/09/467692609.db2.gz LSFQVYYIKQQWKQ-AWEZNQCLSA-N 2 2 338.414 2.001 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)CC1 ZINC000528743263 467745043 /nfs/dbraw/zinc/74/50/43/467745043.db2.gz RXQZRMKKBFTAST-KRWDZBQOSA-N 2 2 333.451 2.168 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2(C)C)CC1 ZINC000528743263 467745046 /nfs/dbraw/zinc/74/50/46/467745046.db2.gz RXQZRMKKBFTAST-KRWDZBQOSA-N 2 2 333.451 2.168 10 0 EEAELP Cc1cc(C)c(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c[nH+]1 ZINC000459071540 467945773 /nfs/dbraw/zinc/94/57/73/467945773.db2.gz HGVYNZZAORIWPA-SFHVURJKSA-N 2 2 346.475 2.095 10 0 EEAELP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000519699804 468196152 /nfs/dbraw/zinc/19/61/52/468196152.db2.gz MXLAIDMDLPQFNW-STQMWFEESA-N 2 2 335.835 2.258 10 0 EEAELP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000519699804 468196158 /nfs/dbraw/zinc/19/61/58/468196158.db2.gz MXLAIDMDLPQFNW-STQMWFEESA-N 2 2 335.835 2.258 10 0 EEAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000519708378 468198879 /nfs/dbraw/zinc/19/88/79/468198879.db2.gz XBADFVKAYDMLOF-GOEBONIOSA-N 2 2 328.416 2.016 10 0 EEAELP C[C@@H](c1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1)[NH+]1CCOCC1 ZINC000520602238 468261256 /nfs/dbraw/zinc/26/12/56/468261256.db2.gz CJQUOTBZGBYHRM-YJBOKZPZSA-N 2 2 346.475 2.296 10 0 EEAELP C[C@@H](c1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C)c1)[NH+]1CCOCC1 ZINC000520602238 468261260 /nfs/dbraw/zinc/26/12/60/468261260.db2.gz CJQUOTBZGBYHRM-YJBOKZPZSA-N 2 2 346.475 2.296 10 0 EEAELP C[C@H](O)[C@H]1CCN(c2cc(NCC[N@H+]3[C@H](C)CCC[C@@H]3C)nc[nH+]2)C1 ZINC000583011194 468628933 /nfs/dbraw/zinc/62/89/33/468628933.db2.gz OHYVBWLGWHVNQS-YVSFHVDLSA-N 2 2 347.507 2.359 10 0 EEAELP C[C@H](O)[C@H]1CCN(c2cc(NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)nc[nH+]2)C1 ZINC000583011194 468628940 /nfs/dbraw/zinc/62/89/40/468628940.db2.gz OHYVBWLGWHVNQS-YVSFHVDLSA-N 2 2 347.507 2.359 10 0 EEAELP C/C=C\c1ccc(OC[C@@H](O)C[NH2+]CCc2cn(C)c[nH+]2)c(OC)c1 ZINC000584524763 468891645 /nfs/dbraw/zinc/89/16/45/468891645.db2.gz HZXILEYJCNOVEQ-CHYADLBTSA-N 2 2 345.443 2.034 10 0 EEAELP CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000562673009 469029128 /nfs/dbraw/zinc/02/91/28/469029128.db2.gz JPPBZLMXHKYARL-CYBMUJFWSA-N 2 2 333.461 2.169 10 0 EEAELP Cc1c[nH+]c(C)nc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000572975295 469035153 /nfs/dbraw/zinc/03/51/53/469035153.db2.gz SCSFHUSRNWDUQW-GOSISDBHSA-N 2 2 326.444 2.796 10 0 EEAELP Cc1c[nH+]c(C)nc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000572975295 469035163 /nfs/dbraw/zinc/03/51/63/469035163.db2.gz SCSFHUSRNWDUQW-GOSISDBHSA-N 2 2 326.444 2.796 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000586770048 469060909 /nfs/dbraw/zinc/06/09/09/469060909.db2.gz CCZVQDSDBOSUTM-INIZCTEOSA-N 2 2 340.427 2.391 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000586770048 469060917 /nfs/dbraw/zinc/06/09/17/469060917.db2.gz CCZVQDSDBOSUTM-INIZCTEOSA-N 2 2 340.427 2.391 10 0 EEAELP NC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)on1 ZINC000573120014 469066119 /nfs/dbraw/zinc/06/61/19/469066119.db2.gz BJAFHOPETIBWHN-OAHLLOKOSA-N 2 2 340.427 2.060 10 0 EEAELP NC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)on1 ZINC000573120014 469066124 /nfs/dbraw/zinc/06/61/24/469066124.db2.gz BJAFHOPETIBWHN-OAHLLOKOSA-N 2 2 340.427 2.060 10 0 EEAELP NC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)on1 ZINC000573120009 469066214 /nfs/dbraw/zinc/06/62/14/469066214.db2.gz BJAFHOPETIBWHN-HNNXBMFYSA-N 2 2 340.427 2.060 10 0 EEAELP NC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)on1 ZINC000573120009 469066218 /nfs/dbraw/zinc/06/62/18/469066218.db2.gz BJAFHOPETIBWHN-HNNXBMFYSA-N 2 2 340.427 2.060 10 0 EEAELP COC(=O)c1cnc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)cn1 ZINC000599362087 469227701 /nfs/dbraw/zinc/22/77/01/469227701.db2.gz LZFUEPFTSFPAGP-UHFFFAOYSA-N 2 2 343.431 2.152 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N(Cc1ccccc1)C1CC1 ZINC000574084574 469257423 /nfs/dbraw/zinc/25/74/23/469257423.db2.gz ODJITMJTLHAQOD-HXUWFJFHSA-N 2 2 327.472 2.253 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N(Cc1ccccc1)C1CC1 ZINC000574084574 469257428 /nfs/dbraw/zinc/25/74/28/469257428.db2.gz ODJITMJTLHAQOD-HXUWFJFHSA-N 2 2 327.472 2.253 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[N@@H+]1Cc1ccccc1 ZINC000612300307 469432369 /nfs/dbraw/zinc/43/23/69/469432369.db2.gz MGTMXXXLUNAYHO-HYVNUMGLSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C[N@H+]1Cc1ccccc1 ZINC000612300307 469432375 /nfs/dbraw/zinc/43/23/75/469432375.db2.gz MGTMXXXLUNAYHO-HYVNUMGLSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C[N@@H+]1Cc1ccccc1 ZINC000612300307 469432382 /nfs/dbraw/zinc/43/23/82/469432382.db2.gz MGTMXXXLUNAYHO-HYVNUMGLSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C[N@H+]1Cc1ccccc1 ZINC000612300307 469432387 /nfs/dbraw/zinc/43/23/87/469432387.db2.gz MGTMXXXLUNAYHO-HYVNUMGLSA-N 2 2 338.455 2.294 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)CC2 ZINC000626032724 469476678 /nfs/dbraw/zinc/47/66/78/469476678.db2.gz SHMDNWDKIAKXQF-HNNXBMFYSA-N 2 2 346.500 2.406 10 0 EEAELP [NH3+]CCCOCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000629398536 469530676 /nfs/dbraw/zinc/53/06/76/469530676.db2.gz DYXMPYPACLIHCJ-UHFFFAOYSA-N 3 2 325.884 2.259 10 0 EEAELP CC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000617506448 469706912 /nfs/dbraw/zinc/70/69/12/469706912.db2.gz NULKWGPJGQIBQE-ZDUSSCGKSA-N 2 2 337.439 2.030 10 0 EEAELP CC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000617506448 469706917 /nfs/dbraw/zinc/70/69/17/469706917.db2.gz NULKWGPJGQIBQE-ZDUSSCGKSA-N 2 2 337.439 2.030 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000613623271 469751953 /nfs/dbraw/zinc/75/19/53/469751953.db2.gz XCKXXPNQSHPOGZ-AWEZNQCLSA-N 2 2 330.476 2.309 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000613623271 469751958 /nfs/dbraw/zinc/75/19/58/469751958.db2.gz XCKXXPNQSHPOGZ-AWEZNQCLSA-N 2 2 330.476 2.309 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000613623271 469751962 /nfs/dbraw/zinc/75/19/62/469751962.db2.gz XCKXXPNQSHPOGZ-AWEZNQCLSA-N 2 2 330.476 2.309 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000613623271 469751967 /nfs/dbraw/zinc/75/19/67/469751967.db2.gz XCKXXPNQSHPOGZ-AWEZNQCLSA-N 2 2 330.476 2.309 10 0 EEAELP CC[N@H+](CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000626924541 469756583 /nfs/dbraw/zinc/75/65/83/469756583.db2.gz AOFZXIRMONGHTM-QGZVFWFLSA-N 2 2 330.476 2.487 10 0 EEAELP CC[N@@H+](CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000626924541 469756587 /nfs/dbraw/zinc/75/65/87/469756587.db2.gz AOFZXIRMONGHTM-QGZVFWFLSA-N 2 2 330.476 2.487 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1)CCCCC2=O ZINC000617764269 469796634 /nfs/dbraw/zinc/79/66/34/469796634.db2.gz PZYFZZSRUQVILT-UHFFFAOYSA-N 2 2 345.487 2.209 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)CCCCC2=O ZINC000617764269 469796639 /nfs/dbraw/zinc/79/66/39/469796639.db2.gz PZYFZZSRUQVILT-UHFFFAOYSA-N 2 2 345.487 2.209 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000617766417 469796983 /nfs/dbraw/zinc/79/69/83/469796983.db2.gz JNSMHJBEMLWFIO-GJZGRUSLSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000617766417 469796986 /nfs/dbraw/zinc/79/69/86/469796986.db2.gz JNSMHJBEMLWFIO-GJZGRUSLSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000617766902 469797028 /nfs/dbraw/zinc/79/70/28/469797028.db2.gz YJWYHJPBYCSYLK-UHFFFAOYSA-N 2 2 346.519 2.290 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(N2CCCCC2)cc1 ZINC000617766902 469797031 /nfs/dbraw/zinc/79/70/31/469797031.db2.gz YJWYHJPBYCSYLK-UHFFFAOYSA-N 2 2 346.519 2.290 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000617766458 469797660 /nfs/dbraw/zinc/79/76/60/469797660.db2.gz LEZSRMGNJLSZOS-UHFFFAOYSA-N 2 2 328.460 2.295 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000617766458 469797663 /nfs/dbraw/zinc/79/76/63/469797663.db2.gz LEZSRMGNJLSZOS-UHFFFAOYSA-N 2 2 328.460 2.295 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1[nH]c2ccccc2c1Cl ZINC000617767384 469799358 /nfs/dbraw/zinc/79/93/58/469799358.db2.gz RVFINWGWSMMHQX-UHFFFAOYSA-N 2 2 336.867 2.435 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1[nH]c2ccccc2c1Cl ZINC000617767384 469799360 /nfs/dbraw/zinc/79/93/60/469799360.db2.gz RVFINWGWSMMHQX-UHFFFAOYSA-N 2 2 336.867 2.435 10 0 EEAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000624227043 469880532 /nfs/dbraw/zinc/88/05/32/469880532.db2.gz DUMHBVIXWQTWAG-MAUKXSAKSA-N 2 2 333.476 2.183 10 0 EEAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000624227043 469880535 /nfs/dbraw/zinc/88/05/35/469880535.db2.gz DUMHBVIXWQTWAG-MAUKXSAKSA-N 2 2 333.476 2.183 10 0 EEAELP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000627487608 469913957 /nfs/dbraw/zinc/91/39/57/469913957.db2.gz HHZLEZKJZNCMAM-JQHSSLGASA-N 2 2 347.890 2.467 10 0 EEAELP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000627487608 469913959 /nfs/dbraw/zinc/91/39/59/469913959.db2.gz HHZLEZKJZNCMAM-JQHSSLGASA-N 2 2 347.890 2.467 10 0 EEAELP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000627487608 469913962 /nfs/dbraw/zinc/91/39/62/469913962.db2.gz HHZLEZKJZNCMAM-JQHSSLGASA-N 2 2 347.890 2.467 10 0 EEAELP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000627487608 469913965 /nfs/dbraw/zinc/91/39/65/469913965.db2.gz HHZLEZKJZNCMAM-JQHSSLGASA-N 2 2 347.890 2.467 10 0 EEAELP C[N@H+](CCO)Cc1cc(NC(=O)C[NH+]2CC(C)(C)C2)ccc1Cl ZINC000614383972 469926588 /nfs/dbraw/zinc/92/65/88/469926588.db2.gz GSZQKQPEMGQDLR-UHFFFAOYSA-N 2 2 339.867 2.044 10 0 EEAELP C[N@@H+](CCO)Cc1cc(NC(=O)C[NH+]2CC(C)(C)C2)ccc1Cl ZINC000614383972 469926591 /nfs/dbraw/zinc/92/65/91/469926591.db2.gz GSZQKQPEMGQDLR-UHFFFAOYSA-N 2 2 339.867 2.044 10 0 EEAELP C[C@]1(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCS1 ZINC000628210444 470076625 /nfs/dbraw/zinc/07/66/25/470076625.db2.gz XOROLWCPGJWWKQ-GOSISDBHSA-N 3 2 334.533 2.469 10 0 EEAELP COC1CC(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631171935 470085555 /nfs/dbraw/zinc/08/55/55/470085555.db2.gz LOJJXCCEMFIQKF-UHFFFAOYSA-N 2 2 348.487 2.302 10 0 EEAELP OC1CCC(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC000631177587 470087121 /nfs/dbraw/zinc/08/71/21/470087121.db2.gz LEXXBRIPIIWKBO-UHFFFAOYSA-N 2 2 348.487 2.038 10 0 EEAELP CC1(C)C[C@H]([NH2+]C2CN(c3ccncn3)C2)C[N@@H+]1Cc1ccccc1 ZINC000631257332 470103758 /nfs/dbraw/zinc/10/37/58/470103758.db2.gz RMBLPSSOQCZZFM-KRWDZBQOSA-N 2 2 337.471 2.308 10 0 EEAELP CC1(C)C[C@H]([NH2+]C2CN(c3ccncn3)C2)C[N@H+]1Cc1ccccc1 ZINC000631257332 470103760 /nfs/dbraw/zinc/10/37/60/470103760.db2.gz RMBLPSSOQCZZFM-KRWDZBQOSA-N 2 2 337.471 2.308 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631845317 470187372 /nfs/dbraw/zinc/18/73/72/470187372.db2.gz YOGHCYMXXRXANW-GHMZBOCLSA-N 2 2 331.338 2.050 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631845317 470187373 /nfs/dbraw/zinc/18/73/73/470187373.db2.gz YOGHCYMXXRXANW-GHMZBOCLSA-N 2 2 331.338 2.050 10 0 EEAELP c1cc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc2c1OCO2 ZINC000631886523 470189361 /nfs/dbraw/zinc/18/93/61/470189361.db2.gz IHNQJEQZJNQNIE-KBPBESRZSA-N 2 2 342.399 2.039 10 0 EEAELP c1cc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc2c1OCO2 ZINC000631886523 470189362 /nfs/dbraw/zinc/18/93/62/470189362.db2.gz IHNQJEQZJNQNIE-KBPBESRZSA-N 2 2 342.399 2.039 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCc1ccc(Cl)cc1 ZINC000631886897 470189508 /nfs/dbraw/zinc/18/95/08/470189508.db2.gz MXLZZUIQDIHZSK-DOTOQJQBSA-N 2 2 335.879 2.073 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCc1ccc(Cl)cc1 ZINC000631886897 470189509 /nfs/dbraw/zinc/18/95/09/470189509.db2.gz MXLZZUIQDIHZSK-DOTOQJQBSA-N 2 2 335.879 2.073 10 0 EEAELP COCC1(C2CC2)C[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000634652106 470275172 /nfs/dbraw/zinc/27/51/72/470275172.db2.gz HQEAQOMXHJLDME-KRWDZBQOSA-N 2 2 343.471 2.372 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[N@@H+]1C ZINC000648892230 470385349 /nfs/dbraw/zinc/38/53/49/470385349.db2.gz XLIKDNPEDKGIMM-BFYDXBDKSA-N 2 2 330.476 2.266 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[N@H+]1C ZINC000648892230 470385352 /nfs/dbraw/zinc/38/53/52/470385352.db2.gz XLIKDNPEDKGIMM-BFYDXBDKSA-N 2 2 330.476 2.266 10 0 EEAELP Cc1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000633495041 470485391 /nfs/dbraw/zinc/48/53/91/470485391.db2.gz WGDMLKXLBVTJPV-UHFFFAOYSA-N 2 2 348.491 2.338 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000633616475 470532658 /nfs/dbraw/zinc/53/26/58/470532658.db2.gz DOXUCRLKSSUKGB-KGLIPLIRSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000633616475 470532662 /nfs/dbraw/zinc/53/26/62/470532662.db2.gz DOXUCRLKSSUKGB-KGLIPLIRSA-N 2 2 337.430 2.355 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn21 ZINC000646234832 470575220 /nfs/dbraw/zinc/57/52/20/470575220.db2.gz RNROLKHLOCECNS-FKEKPDDDSA-N 2 2 341.459 2.110 10 0 EEAELP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635442808 470589146 /nfs/dbraw/zinc/58/91/46/470589146.db2.gz CQSFIZIIXGYBNW-HUUCEWRRSA-N 2 2 348.397 2.382 10 0 EEAELP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635442808 470589149 /nfs/dbraw/zinc/58/91/49/470589149.db2.gz CQSFIZIIXGYBNW-HUUCEWRRSA-N 2 2 348.397 2.382 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000643545257 470717995 /nfs/dbraw/zinc/71/79/95/470717995.db2.gz SGBNPGREAOVSFD-GDBMZVCRSA-N 2 2 337.489 2.019 10 0 EEAELP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCF ZINC000647209126 470859037 /nfs/dbraw/zinc/85/90/37/470859037.db2.gz UXFJRHVQLZATFB-WBVHZDCISA-N 2 2 333.451 2.247 10 0 EEAELP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCF ZINC000647209126 470859039 /nfs/dbraw/zinc/85/90/39/470859039.db2.gz UXFJRHVQLZATFB-WBVHZDCISA-N 2 2 333.451 2.247 10 0 EEAELP CC(C)(C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@]1(O)CCOC1 ZINC000647340048 470884543 /nfs/dbraw/zinc/88/45/43/470884543.db2.gz DPMIPHXGJOYPSF-AZUAARDMSA-N 2 2 332.488 2.418 10 0 EEAELP CC(C)(C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@]1(O)CCOC1 ZINC000647340048 470884546 /nfs/dbraw/zinc/88/45/46/470884546.db2.gz DPMIPHXGJOYPSF-AZUAARDMSA-N 2 2 332.488 2.418 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000647530155 470923361 /nfs/dbraw/zinc/92/33/61/470923361.db2.gz WLOUJYFDWFQHPW-RTWAWAEBSA-N 2 2 342.483 2.180 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000647530155 470923364 /nfs/dbraw/zinc/92/33/64/470923364.db2.gz WLOUJYFDWFQHPW-RTWAWAEBSA-N 2 2 342.483 2.180 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000644548267 470979423 /nfs/dbraw/zinc/97/94/23/470979423.db2.gz XMBAPTJJQWIKJS-STQMWFEESA-N 2 2 332.366 2.129 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000644548267 470979426 /nfs/dbraw/zinc/97/94/26/470979426.db2.gz XMBAPTJJQWIKJS-STQMWFEESA-N 2 2 332.366 2.129 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)CO[C@@H]1CCCc2ccccc21 ZINC000644651021 471005200 /nfs/dbraw/zinc/00/52/00/471005200.db2.gz MGMWCEYMCSILGV-RZQQEMMASA-N 2 2 341.455 2.312 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)CO[C@@H]1CCCc2ccccc21 ZINC000644651021 471005202 /nfs/dbraw/zinc/00/52/02/471005202.db2.gz MGMWCEYMCSILGV-RZQQEMMASA-N 2 2 341.455 2.312 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900698 471011032 /nfs/dbraw/zinc/01/10/32/471011032.db2.gz FIARHAOBCBYNNO-DAYGRLMNSA-N 2 2 331.460 2.486 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900698 471011034 /nfs/dbraw/zinc/01/10/34/471011034.db2.gz FIARHAOBCBYNNO-DAYGRLMNSA-N 2 2 331.460 2.486 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900981 471011482 /nfs/dbraw/zinc/01/14/82/471011482.db2.gz IERURGWECNEFTE-YTQUADARSA-N 2 2 329.488 2.464 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900981 471011487 /nfs/dbraw/zinc/01/14/87/471011487.db2.gz IERURGWECNEFTE-YTQUADARSA-N 2 2 329.488 2.464 10 0 EEAELP CC1CC[NH+](CCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651112813 471053999 /nfs/dbraw/zinc/05/39/99/471053999.db2.gz TZWMAILOQCIGGK-UHFFFAOYSA-N 2 2 332.492 2.390 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000651196929 471085680 /nfs/dbraw/zinc/08/56/80/471085680.db2.gz RIYDCBPABGLYID-OAHLLOKOSA-N 2 2 335.496 2.491 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C ZINC000651196929 471085682 /nfs/dbraw/zinc/08/56/82/471085682.db2.gz RIYDCBPABGLYID-OAHLLOKOSA-N 2 2 335.496 2.491 10 0 EEAELP C[NH+]1CCN(c2ccc(NCc3ccnn3-c3cc[nH+]cc3)[nH+]c2)CC1 ZINC000657322405 471097905 /nfs/dbraw/zinc/09/79/05/471097905.db2.gz ODGOWZQKHPWHLT-UHFFFAOYSA-N 3 2 349.442 2.026 10 0 EEAELP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CO1 ZINC000657331363 471101160 /nfs/dbraw/zinc/10/11/60/471101160.db2.gz ZUUQOVIDOVAHFR-ZWKOTPCHSA-N 2 2 334.460 2.055 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C3CCC3)nn2)[C@@H](C)C1 ZINC000657363459 471114625 /nfs/dbraw/zinc/11/46/25/471114625.db2.gz OQUPYEWGRTXHOG-YJBOKZPZSA-N 2 2 335.496 2.230 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(C3CCC3)nn2)[C@@H](C)C1 ZINC000657363459 471114632 /nfs/dbraw/zinc/11/46/32/471114632.db2.gz OQUPYEWGRTXHOG-YJBOKZPZSA-N 2 2 335.496 2.230 10 0 EEAELP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657382334 471120247 /nfs/dbraw/zinc/12/02/47/471120247.db2.gz CJRLKDDXNKLZDC-UHFFFAOYSA-N 3 2 343.475 2.246 10 0 EEAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000654852082 471203232 /nfs/dbraw/zinc/20/32/32/471203232.db2.gz WIYLFNNHTNIRNB-KRWDZBQOSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000654852082 471203237 /nfs/dbraw/zinc/20/32/37/471203237.db2.gz WIYLFNNHTNIRNB-KRWDZBQOSA-N 2 2 329.488 2.451 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccccc1F ZINC000652122338 471239253 /nfs/dbraw/zinc/23/92/53/471239253.db2.gz RXIRWNKYNYCOLQ-OAHLLOKOSA-N 2 2 345.422 2.077 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249406 471280198 /nfs/dbraw/zinc/28/01/98/471280198.db2.gz DZIMTIOXFDZNSD-OALUTQOASA-N 2 2 342.531 2.414 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249406 471280200 /nfs/dbraw/zinc/28/02/00/471280200.db2.gz DZIMTIOXFDZNSD-OALUTQOASA-N 2 2 342.531 2.414 10 0 EEAELP C[C@H]1C[C@@H](NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249406 471280202 /nfs/dbraw/zinc/28/02/02/471280202.db2.gz DZIMTIOXFDZNSD-OALUTQOASA-N 2 2 342.531 2.414 10 0 EEAELP C[C@H]1C[C@@H](NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249406 471280206 /nfs/dbraw/zinc/28/02/06/471280206.db2.gz DZIMTIOXFDZNSD-OALUTQOASA-N 2 2 342.531 2.414 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CC(C(C)(C)C)C3)C2)CC1 ZINC000652370748 471280873 /nfs/dbraw/zinc/28/08/73/471280873.db2.gz NQMDXPHEFQTNDR-HWOWSKLDSA-N 2 2 336.524 2.279 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CC(C(C)(C)C)C3)C2)CC1 ZINC000652370748 471280874 /nfs/dbraw/zinc/28/08/74/471280874.db2.gz NQMDXPHEFQTNDR-HWOWSKLDSA-N 2 2 336.524 2.279 10 0 EEAELP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCC1 ZINC000658342199 471289929 /nfs/dbraw/zinc/28/99/29/471289929.db2.gz LRPQOHOJEAYRHQ-IEBWSBKVSA-N 2 2 331.504 2.350 10 0 EEAELP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC1 ZINC000658342199 471289932 /nfs/dbraw/zinc/28/99/32/471289932.db2.gz LRPQOHOJEAYRHQ-IEBWSBKVSA-N 2 2 331.504 2.350 10 0 EEAELP CCN1OC[C@H]([NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)C1=O ZINC000660451916 471349836 /nfs/dbraw/zinc/34/98/36/471349836.db2.gz LMXAEOUPVJZXQL-KRWDZBQOSA-N 2 2 328.416 2.144 10 0 EEAELP c1ccc(OCCOCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660471842 471356064 /nfs/dbraw/zinc/35/60/64/471356064.db2.gz FLQRXGJBJNMSEV-LJQANCHMSA-N 2 2 348.487 2.269 10 0 EEAELP c1ccc(OCCOCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660471842 471356070 /nfs/dbraw/zinc/35/60/70/471356070.db2.gz FLQRXGJBJNMSEV-LJQANCHMSA-N 2 2 348.487 2.269 10 0 EEAELP CC[NH+]1CCN(CCNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000663400057 471358235 /nfs/dbraw/zinc/35/82/35/471358235.db2.gz WOSBIUUUZSSMFB-UHFFFAOYSA-N 2 2 346.523 2.152 10 0 EEAELP c1cn2c(n1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000655684129 471442140 /nfs/dbraw/zinc/44/21/40/471442140.db2.gz XUCOYDMCUQIFGH-GOSISDBHSA-N 2 2 326.444 2.340 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[NH+]([C@@H]4CCOC4)CC3)c2cc1OC ZINC000663727327 471492882 /nfs/dbraw/zinc/49/28/82/471492882.db2.gz DZXGJHIGICHVKJ-OAHLLOKOSA-N 2 2 343.427 2.163 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[NH2+]C2CC2)c(C)c1 ZINC000669540606 471541477 /nfs/dbraw/zinc/54/14/77/471541477.db2.gz OUEDIAXGLSEPSN-GOSISDBHSA-N 2 2 341.459 2.292 10 0 EEAELP CC(C)(C)n1ncc2c1nc(NCc1ccc3c[nH+]cn3c1)[nH+]c2N ZINC000663999532 471603641 /nfs/dbraw/zinc/60/36/41/471603641.db2.gz RWVSPQPMYIKIMV-UHFFFAOYSA-N 2 2 336.403 2.423 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000667035962 471630542 /nfs/dbraw/zinc/63/05/42/471630542.db2.gz WKTXYAQTLCGJLA-MRXNPFEDSA-N 2 2 326.444 2.283 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000667035962 471630544 /nfs/dbraw/zinc/63/05/44/471630544.db2.gz WKTXYAQTLCGJLA-MRXNPFEDSA-N 2 2 326.444 2.283 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000667035962 471630548 /nfs/dbraw/zinc/63/05/48/471630548.db2.gz WKTXYAQTLCGJLA-MRXNPFEDSA-N 2 2 326.444 2.283 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000667035962 471630551 /nfs/dbraw/zinc/63/05/51/471630551.db2.gz WKTXYAQTLCGJLA-MRXNPFEDSA-N 2 2 326.444 2.283 10 0 EEAELP C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661471065 471768414 /nfs/dbraw/zinc/76/84/14/471768414.db2.gz XHASLGXCMBFURW-FUHWJXTLSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661471065 471768418 /nfs/dbraw/zinc/76/84/18/471768418.db2.gz XHASLGXCMBFURW-FUHWJXTLSA-N 2 2 345.487 2.049 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702634 471811852 /nfs/dbraw/zinc/81/18/52/471811852.db2.gz QUGGVIMAJCAOSI-CVEARBPZSA-N 2 2 336.476 2.287 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702634 471811857 /nfs/dbraw/zinc/81/18/57/471811857.db2.gz QUGGVIMAJCAOSI-CVEARBPZSA-N 2 2 336.476 2.287 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000656702403 471811897 /nfs/dbraw/zinc/81/18/97/471811897.db2.gz PRQPNHFYYLLBFF-DLBZAZTESA-N 2 2 334.460 2.091 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000656702403 471811902 /nfs/dbraw/zinc/81/19/02/471811902.db2.gz PRQPNHFYYLLBFF-DLBZAZTESA-N 2 2 334.460 2.091 10 0 EEAELP COc1ccc([C@H](CO)[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667639469 471852940 /nfs/dbraw/zinc/85/29/40/471852940.db2.gz XLJSJOTZVUJZOZ-IBGZPJMESA-N 2 2 338.411 2.441 10 0 EEAELP COc1ccc([C@H](CO)[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667639469 471852943 /nfs/dbraw/zinc/85/29/43/471852943.db2.gz XLJSJOTZVUJZOZ-IBGZPJMESA-N 2 2 338.411 2.441 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+]2CCCC2)o1 ZINC000667862779 471929817 /nfs/dbraw/zinc/92/98/17/471929817.db2.gz DUTGWCBLCQZXTA-RHSMWYFYSA-N 2 2 342.443 2.369 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[NH+]2CCCC2)o1 ZINC000667862779 471929823 /nfs/dbraw/zinc/92/98/23/471929823.db2.gz DUTGWCBLCQZXTA-RHSMWYFYSA-N 2 2 342.443 2.369 10 0 EEAELP Cc1cccn2c(NC(=O)NC[C@]3([NH+](C)C)CCSC3)c[nH+]c12 ZINC000667951639 471960953 /nfs/dbraw/zinc/96/09/53/471960953.db2.gz FKOKVLGAYMYIAI-MRXNPFEDSA-N 2 2 333.461 2.202 10 0 EEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@@H]4COC[C@H]4C3)C2)cc1 ZINC000662034185 471965390 /nfs/dbraw/zinc/96/53/90/471965390.db2.gz MZJAPATXYLFSLV-AQNXPRMDSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@@H]4COC[C@H]4C3)C2)cc1 ZINC000662034185 471965396 /nfs/dbraw/zinc/96/53/96/471965396.db2.gz MZJAPATXYLFSLV-AQNXPRMDSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@@H]4COC[C@H]4C3)C2)cc1 ZINC000662034185 471965399 /nfs/dbraw/zinc/96/53/99/471965399.db2.gz MZJAPATXYLFSLV-AQNXPRMDSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@@H]4COC[C@H]4C3)C2)cc1 ZINC000662034185 471965402 /nfs/dbraw/zinc/96/54/02/471965402.db2.gz MZJAPATXYLFSLV-AQNXPRMDSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@H]1OCC[C@@]12C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)O2 ZINC000668087380 472004542 /nfs/dbraw/zinc/00/45/42/472004542.db2.gz GBYLAQQGOHHGFL-IIDMSEBBSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)O2 ZINC000668087380 472004545 /nfs/dbraw/zinc/00/45/45/472004545.db2.gz GBYLAQQGOHHGFL-IIDMSEBBSA-N 2 2 328.416 2.036 10 0 EEAELP CCOc1cc(C)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665774467 472181753 /nfs/dbraw/zinc/18/17/53/472181753.db2.gz LPZMOMCTUCKGAV-UHFFFAOYSA-N 2 2 336.480 2.399 10 0 EEAELP CCOc1cc(C)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665774467 472181758 /nfs/dbraw/zinc/18/17/58/472181758.db2.gz LPZMOMCTUCKGAV-UHFFFAOYSA-N 2 2 336.480 2.399 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C1([NH2+]C2CC2)CCC1)c1c(F)cccc1F ZINC000662735600 472227623 /nfs/dbraw/zinc/22/76/23/472227623.db2.gz WORAENHKPPVYCW-OAHLLOKOSA-N 2 2 337.414 2.358 10 0 EEAELP COc1c(C)[nH+]cnc1NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000656119402 485560610 /nfs/dbraw/zinc/56/06/10/485560610.db2.gz OKWOXHWVUIMGCB-UHFFFAOYSA-N 2 2 330.432 2.389 10 0 EEAELP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(C)o1 ZINC000683691971 485609562 /nfs/dbraw/zinc/60/95/62/485609562.db2.gz LYFIIBXDDNSDNQ-CZUORRHYSA-N 2 2 330.432 2.472 10 0 EEAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000679577293 485740582 /nfs/dbraw/zinc/74/05/82/485740582.db2.gz PJZWUPHGBGCCQP-SXLOBPIMSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000679577293 485740587 /nfs/dbraw/zinc/74/05/87/485740587.db2.gz PJZWUPHGBGCCQP-SXLOBPIMSA-N 2 2 332.488 2.418 10 0 EEAELP Cc1cccn2cc(CCNC(=O)Cn3c[nH+]c4c3CCCC4)[nH+]c12 ZINC000680494476 485984174 /nfs/dbraw/zinc/98/41/74/485984174.db2.gz FBLBXZWYMFPINX-UHFFFAOYSA-N 2 2 337.427 2.077 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684843549 486017262 /nfs/dbraw/zinc/01/72/62/486017262.db2.gz HEOASQCBRIGHMK-HOCLYGCPSA-N 2 2 344.434 2.243 10 0 EEAELP Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681695681 486307663 /nfs/dbraw/zinc/30/76/63/486307663.db2.gz JVFZLEGDNFOZPL-DLBZAZTESA-N 2 2 334.485 2.172 10 0 EEAELP Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681695681 486307666 /nfs/dbraw/zinc/30/76/66/486307666.db2.gz JVFZLEGDNFOZPL-DLBZAZTESA-N 2 2 334.485 2.172 10 0 EEAELP CC[N@H+](CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000676844403 486322436 /nfs/dbraw/zinc/32/24/36/486322436.db2.gz OSHUUOMCHNNPEM-KRWDZBQOSA-N 2 2 326.444 2.304 10 0 EEAELP CC[N@@H+](CC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000676844403 486322440 /nfs/dbraw/zinc/32/24/40/486322440.db2.gz OSHUUOMCHNNPEM-KRWDZBQOSA-N 2 2 326.444 2.304 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[NH+]2CCC2)cc1 ZINC000677017507 486363413 /nfs/dbraw/zinc/36/34/13/486363413.db2.gz NVWOFIOUGFSUDV-CQSZACIVSA-N 2 2 327.432 2.247 10 0 EEAELP COc1ccccc1N1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422831328 537061718 /nfs/dbraw/zinc/06/17/18/537061718.db2.gz DRYCUAMZYGKGCB-WOJBJXKFSA-N 2 2 345.487 2.021 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000765307595 577499028 /nfs/dbraw/zinc/49/90/28/577499028.db2.gz AHBDQVJNKLJSTE-JKSUJKDBSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000765307595 577499029 /nfs/dbraw/zinc/49/90/29/577499029.db2.gz AHBDQVJNKLJSTE-JKSUJKDBSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](C)CC1(C(=O)NCc2cccnc2-n2cc[nH+]c2)CCCCC1 ZINC000763282580 577718443 /nfs/dbraw/zinc/71/84/43/577718443.db2.gz GHGCGROYAOALEZ-UHFFFAOYSA-N 2 2 341.459 2.396 10 0 EEAELP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743398903 577884646 /nfs/dbraw/zinc/88/46/46/577884646.db2.gz ODEZCVOXCUOKJG-AWEZNQCLSA-N 2 2 330.432 2.054 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743398903 577884647 /nfs/dbraw/zinc/88/46/47/577884647.db2.gz ODEZCVOXCUOKJG-AWEZNQCLSA-N 2 2 330.432 2.054 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743398903 577884648 /nfs/dbraw/zinc/88/46/48/577884648.db2.gz ODEZCVOXCUOKJG-AWEZNQCLSA-N 2 2 330.432 2.054 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743398903 577884649 /nfs/dbraw/zinc/88/46/49/577884649.db2.gz ODEZCVOXCUOKJG-AWEZNQCLSA-N 2 2 330.432 2.054 10 0 EEAELP Cc1nc(CC(C)C)c(NC(=O)NCC[NH+]2CCC([NH3+])CC2)s1 ZINC000926066259 676053525 /nfs/dbraw/zinc/05/35/25/676053525.db2.gz JUBLTZFKZUMFHM-UHFFFAOYSA-N 2 2 339.509 2.195 10 0 EEAELP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000895438618 684600836 /nfs/dbraw/zinc/60/08/36/684600836.db2.gz HTCZDCJHNZVHRC-KGLIPLIRSA-N 2 2 330.419 2.381 10 0 EEAELP COc1cccc([C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[NH+](C)C)c1 ZINC000895462553 684609632 /nfs/dbraw/zinc/60/96/32/684609632.db2.gz YWRXPWUGJGLLTQ-QGZVFWFLSA-N 2 2 344.459 2.354 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000923809757 693282579 /nfs/dbraw/zinc/28/25/79/693282579.db2.gz DPDQERVUHXJWCI-KLHDSHLOSA-N 2 2 331.464 2.197 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000923809757 693282582 /nfs/dbraw/zinc/28/25/82/693282582.db2.gz DPDQERVUHXJWCI-KLHDSHLOSA-N 2 2 331.464 2.197 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CCc1ccc(C)cc1)C1CC1 ZINC001670545531 1176876431 /nfs/dbraw/zinc/87/64/31/1176876431.db2.gz VPHGFURKCBQKOF-LJQANCHMSA-N 2 2 340.471 2.296 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+][C@H](C)c1nc2ccccc2o1 ZINC001266776979 1177408112 /nfs/dbraw/zinc/40/81/12/1177408112.db2.gz PVDIVNXWWGFKFD-CQSZACIVSA-N 2 2 341.415 2.142 10 0 EEAELP CN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001691368714 1177973992 /nfs/dbraw/zinc/97/39/92/1177973992.db2.gz BEZNZJUWDAMZFM-KRWDZBQOSA-N 2 2 344.434 2.163 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC/C=C/c1ccccc1 ZINC001266986529 1178042264 /nfs/dbraw/zinc/04/22/64/1178042264.db2.gz YSLDNFOJDIULGY-VGZDNEPHSA-N 2 2 326.444 2.160 10 0 EEAELP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267048719 1178149091 /nfs/dbraw/zinc/14/90/91/1178149091.db2.gz ZHSJDXDAAAIIKR-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001267175891 1178418857 /nfs/dbraw/zinc/41/88/57/1178418857.db2.gz VJSIFDINMPVIMH-WMZOPIPTSA-N 2 2 337.508 2.011 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001267175891 1178418858 /nfs/dbraw/zinc/41/88/58/1178418858.db2.gz VJSIFDINMPVIMH-WMZOPIPTSA-N 2 2 337.508 2.011 10 0 EEAELP CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267175891 1178418859 /nfs/dbraw/zinc/41/88/59/1178418859.db2.gz VJSIFDINMPVIMH-WMZOPIPTSA-N 2 2 337.508 2.011 10 0 EEAELP CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267175891 1178418861 /nfs/dbraw/zinc/41/88/61/1178418861.db2.gz VJSIFDINMPVIMH-WMZOPIPTSA-N 2 2 337.508 2.011 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001267461154 1179051560 /nfs/dbraw/zinc/05/15/60/1179051560.db2.gz GATWVJJHQFYXCU-INIZCTEOSA-N 2 2 340.471 2.114 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481098814 1179736557 /nfs/dbraw/zinc/73/65/57/1179736557.db2.gz HWMWOUJIUMNFOY-MULDZMIYSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481098814 1179736560 /nfs/dbraw/zinc/73/65/60/1179736560.db2.gz HWMWOUJIUMNFOY-MULDZMIYSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001267725960 1180297933 /nfs/dbraw/zinc/29/79/33/1180297933.db2.gz KSLMWNZGURALLY-HOCLYGCPSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001267725960 1180297938 /nfs/dbraw/zinc/29/79/38/1180297938.db2.gz KSLMWNZGURALLY-HOCLYGCPSA-N 2 2 338.883 2.012 10 0 EEAELP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)Cc1c[nH+]c[nH]1 ZINC001481285035 1180841369 /nfs/dbraw/zinc/84/13/69/1180841369.db2.gz PUNVOSXPZMEFLD-INIZCTEOSA-N 2 2 326.444 2.120 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC[C@H](C)F ZINC001481350309 1181092630 /nfs/dbraw/zinc/09/26/30/1181092630.db2.gz KMWHVTGVTBRSKL-HOTGVXAUSA-N 2 2 338.471 2.410 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC[C@H](C)F ZINC001481350309 1181092634 /nfs/dbraw/zinc/09/26/34/1181092634.db2.gz KMWHVTGVTBRSKL-HOTGVXAUSA-N 2 2 338.471 2.410 10 0 EEAELP Cc1nc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C(C)C)c(C)s1 ZINC001481358829 1181117925 /nfs/dbraw/zinc/11/79/25/1181117925.db2.gz ZCKGVXCHRVGCQH-UHFFFAOYSA-N 2 2 349.504 2.373 10 0 EEAELP Cc1nc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C(C)C)c(C)s1 ZINC001481358829 1181117927 /nfs/dbraw/zinc/11/79/27/1181117927.db2.gz ZCKGVXCHRVGCQH-UHFFFAOYSA-N 2 2 349.504 2.373 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001481406609 1181233174 /nfs/dbraw/zinc/23/31/74/1181233174.db2.gz VEDXVJAGSXWTJE-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001481406609 1181233178 /nfs/dbraw/zinc/23/31/78/1181233178.db2.gz VEDXVJAGSXWTJE-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[C@@H]2CC[NH+](CC3CC3)C2)[nH]n1 ZINC001481430747 1181317964 /nfs/dbraw/zinc/31/79/64/1181317964.db2.gz BTNGJLDPWHXGSI-CRAIPNDOSA-N 2 2 345.491 2.028 10 0 EEAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[C@@H]2CC[NH+](CC3CC3)C2)[nH]n1 ZINC001481430747 1181317972 /nfs/dbraw/zinc/31/79/72/1181317972.db2.gz BTNGJLDPWHXGSI-CRAIPNDOSA-N 2 2 345.491 2.028 10 0 EEAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCC[C@@H]2CC[N@H+](CC3CC3)C2)[nH]n1 ZINC001481430747 1181317979 /nfs/dbraw/zinc/31/79/79/1181317979.db2.gz BTNGJLDPWHXGSI-CRAIPNDOSA-N 2 2 345.491 2.028 10 0 EEAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCC[C@@H]2CC[N@@H+](CC3CC3)C2)[nH]n1 ZINC001481430747 1181317983 /nfs/dbraw/zinc/31/79/83/1181317983.db2.gz BTNGJLDPWHXGSI-CRAIPNDOSA-N 2 2 345.491 2.028 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C[NH2+]CCOC1CCC1 ZINC001268184682 1181970209 /nfs/dbraw/zinc/97/02/09/1181970209.db2.gz BGXHQJBGWMXITD-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCOC1CCC1 ZINC001268184682 1181970216 /nfs/dbraw/zinc/97/02/16/1181970216.db2.gz BGXHQJBGWMXITD-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001481657288 1182147166 /nfs/dbraw/zinc/14/71/66/1182147166.db2.gz SMTHYEFJCQXVBU-ZDUSSCGKSA-N 2 2 340.418 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268290937 1182180526 /nfs/dbraw/zinc/18/05/26/1182180526.db2.gz LAXDYTHFGAOYAE-NWDGAFQWSA-N 2 2 332.370 2.088 10 0 EEAELP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCc2c1c(F)ccc2F ZINC001481676479 1182191384 /nfs/dbraw/zinc/19/13/84/1182191384.db2.gz HIAXHXMVHGQLDD-GDZNZVCISA-N 2 2 349.425 2.189 10 0 EEAELP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2c1c(F)ccc2F ZINC001481676479 1182191386 /nfs/dbraw/zinc/19/13/86/1182191386.db2.gz HIAXHXMVHGQLDD-GDZNZVCISA-N 2 2 349.425 2.189 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2cscn2)c[nH+]1 ZINC001268373752 1182373159 /nfs/dbraw/zinc/37/31/59/1182373159.db2.gz DPGUNIVNGVGAEI-GFCCVEGCSA-N 2 2 335.477 2.068 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCc1ccccc1 ZINC001481827395 1182757486 /nfs/dbraw/zinc/75/74/86/1182757486.db2.gz ZHTVNDSCINVIQH-ROUUACIJSA-N 2 2 340.471 2.173 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C/Cl)CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481899647 1182912449 /nfs/dbraw/zinc/91/24/49/1182912449.db2.gz CIXNMIAMUSZAHT-UFZAZABTSA-N 2 2 336.867 2.217 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C\Cl)CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481899645 1182912990 /nfs/dbraw/zinc/91/29/90/1182912990.db2.gz CIXNMIAMUSZAHT-NMNMAYGDSA-N 2 2 336.867 2.217 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1F ZINC001422138388 1183042964 /nfs/dbraw/zinc/04/29/64/1183042964.db2.gz GTMBDPYAPRUGLX-OAHLLOKOSA-N 2 2 336.386 2.092 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001482016825 1183135988 /nfs/dbraw/zinc/13/59/88/1183135988.db2.gz NPDAWKKBJVZSKK-WKILWMFISA-N 2 2 345.422 2.094 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001482016825 1183135992 /nfs/dbraw/zinc/13/59/92/1183135992.db2.gz NPDAWKKBJVZSKK-WKILWMFISA-N 2 2 345.422 2.094 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]C[C@@H]3CC[C@H](C)O3)ccn12 ZINC001268539527 1183205629 /nfs/dbraw/zinc/20/56/29/1183205629.db2.gz UTGTVBYXZCLWOH-PKOQZONYSA-N 2 2 342.443 2.086 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)c2ccc3c[nH+]cn3c2C)no1 ZINC001268557532 1183250872 /nfs/dbraw/zinc/25/08/72/1183250872.db2.gz DTBLHOSDBGDSAA-ARJAWSKDSA-N 2 2 339.399 2.015 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CCCC1 ZINC001482239125 1184547660 /nfs/dbraw/zinc/54/76/60/1184547660.db2.gz PLFXUBNEQTUBOU-CQSZACIVSA-N 2 2 340.418 2.337 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC(CC[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001269913304 1184711632 /nfs/dbraw/zinc/71/16/32/1184711632.db2.gz KJOLHYZCWXICPN-MDWZMJQESA-N 2 2 345.274 2.490 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@@H+]1CCCOC(C)C ZINC001691513325 1185575812 /nfs/dbraw/zinc/57/58/12/1185575812.db2.gz LWUHFFYUURMDIC-DOTOQJQBSA-N 2 2 336.480 2.045 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC[N@H+]1CCCOC(C)C ZINC001691513325 1185575816 /nfs/dbraw/zinc/57/58/16/1185575816.db2.gz LWUHFFYUURMDIC-DOTOQJQBSA-N 2 2 336.480 2.045 10 0 EEAELP CCn1ccc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001271014195 1185816223 /nfs/dbraw/zinc/81/62/23/1185816223.db2.gz VHNHSAWCJLINBK-ZDUSSCGKSA-N 2 2 340.431 2.030 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001482458615 1185909647 /nfs/dbraw/zinc/90/96/47/1185909647.db2.gz KFGCUGHGRHQHPY-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1F ZINC001271136338 1185953256 /nfs/dbraw/zinc/95/32/56/1185953256.db2.gz FDJWRRWQXSJLMF-HUUCEWRRSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1F ZINC001271136338 1185953260 /nfs/dbraw/zinc/95/32/60/1185953260.db2.gz FDJWRRWQXSJLMF-HUUCEWRRSA-N 2 2 346.450 2.407 10 0 EEAELP CCOCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001482470255 1185987953 /nfs/dbraw/zinc/98/79/53/1185987953.db2.gz FNEPIGDPUBAZRG-HOTGVXAUSA-N 2 2 344.459 2.201 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001271552664 1186305697 /nfs/dbraw/zinc/30/56/97/1186305697.db2.gz SYFXYYFGHBSYQK-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP CC/C=C/CC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001280414866 1186375460 /nfs/dbraw/zinc/37/54/60/1186375460.db2.gz DZTMJCFXGBYUKQ-OZSKJFCKSA-N 2 2 339.524 2.138 10 0 EEAELP CC/C=C/CC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001280414866 1186375467 /nfs/dbraw/zinc/37/54/67/1186375467.db2.gz DZTMJCFXGBYUKQ-OZSKJFCKSA-N 2 2 339.524 2.138 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001280414866 1186375471 /nfs/dbraw/zinc/37/54/71/1186375471.db2.gz DZTMJCFXGBYUKQ-OZSKJFCKSA-N 2 2 339.524 2.138 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001280414866 1186375474 /nfs/dbraw/zinc/37/54/74/1186375474.db2.gz DZTMJCFXGBYUKQ-OZSKJFCKSA-N 2 2 339.524 2.138 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@@H](CNC(=O)Cc2c[nH+]cn2C)C(C)C)c1 ZINC001482565237 1186852754 /nfs/dbraw/zinc/85/27/54/1186852754.db2.gz JVZVJVJWONLSCK-SFHVURJKSA-N 2 2 346.450 2.341 10 0 EEAELP Cc1cc(C)c(C(=O)NCC2([NH2+]CCOCC3CC3)CC2)c(C)[nH+]1 ZINC001670825229 1187300889 /nfs/dbraw/zinc/30/08/89/1187300889.db2.gz YGIGAXHUBSBOCF-UHFFFAOYSA-N 2 2 331.460 2.285 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482929930 1187850957 /nfs/dbraw/zinc/85/09/57/1187850957.db2.gz CCCBBSXSNAUYHS-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001482955121 1187882049 /nfs/dbraw/zinc/88/20/49/1187882049.db2.gz FZWXEZHAIYIWMF-INIZCTEOSA-N 2 2 336.480 2.184 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001482955121 1187882055 /nfs/dbraw/zinc/88/20/55/1187882055.db2.gz FZWXEZHAIYIWMF-INIZCTEOSA-N 2 2 336.480 2.184 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C/C[NH2+]Cc1cccc2cccnc21 ZINC001483017559 1188004233 /nfs/dbraw/zinc/00/42/33/1188004233.db2.gz OXXQKPOHVKFUQM-OWOJBTEDSA-N 2 2 349.438 2.353 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C/C[NH2+]Cc1cccc2cccnc21 ZINC001483017559 1188004239 /nfs/dbraw/zinc/00/42/39/1188004239.db2.gz OXXQKPOHVKFUQM-OWOJBTEDSA-N 2 2 349.438 2.353 10 0 EEAELP O=C(NCC=CC[NH2+]CC1CC(F)(F)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001483024383 1188011141 /nfs/dbraw/zinc/01/11/41/1188011141.db2.gz VFGSAAWRSLDVLG-OWOJBTEDSA-N 2 2 334.370 2.484 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001272874559 1193587800 /nfs/dbraw/zinc/58/78/00/1193587800.db2.gz XANUQPPTRGYVET-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001691633147 1189327433 /nfs/dbraw/zinc/32/74/33/1189327433.db2.gz XFMCKJHKTQUAPN-IAGOWNOFSA-N 2 2 336.480 2.232 10 0 EEAELP CN(CC(C)(C)C[NH2+]C[C@@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001409441774 1189688832 /nfs/dbraw/zinc/68/88/32/1189688832.db2.gz GIPKVNXPKIJHTB-HNNXBMFYSA-N 2 2 344.459 2.059 10 0 EEAELP CCc1cnc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001485907848 1193636084 /nfs/dbraw/zinc/63/60/84/1193636084.db2.gz GESNXTUDYFIKKM-CQSZACIVSA-N 2 2 336.480 2.048 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001409576422 1190059777 /nfs/dbraw/zinc/05/97/77/1190059777.db2.gz IUNVCXZQBSEMEL-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001409576422 1190059783 /nfs/dbraw/zinc/05/97/83/1190059783.db2.gz IUNVCXZQBSEMEL-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP CC(C)Oc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001485962819 1193655484 /nfs/dbraw/zinc/65/54/84/1193655484.db2.gz NXSVRDBLSHZUNL-INIZCTEOSA-N 2 2 344.459 2.307 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[N@H+](C)CCc1ccccc1F ZINC001409676018 1190175980 /nfs/dbraw/zinc/17/59/80/1190175980.db2.gz ZVVLKKBUCAUJJY-LSDHHAIUSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[N@@H+](C)CCc1ccccc1F ZINC001409676018 1190175984 /nfs/dbraw/zinc/17/59/84/1190175984.db2.gz ZVVLKKBUCAUJJY-LSDHHAIUSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[N@H+](C)CCc1ccccc1F ZINC001409676018 1190175987 /nfs/dbraw/zinc/17/59/87/1190175987.db2.gz ZVVLKKBUCAUJJY-LSDHHAIUSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[N@@H+](C)CCc1ccccc1F ZINC001409676018 1190175990 /nfs/dbraw/zinc/17/59/90/1190175990.db2.gz ZVVLKKBUCAUJJY-LSDHHAIUSA-N 2 2 346.450 2.407 10 0 EEAELP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC=C(Cl)Cl ZINC001483625364 1190688679 /nfs/dbraw/zinc/68/86/79/1190688679.db2.gz YWKVOLJBZQASDK-OLZOCXBDSA-N 2 2 345.274 2.419 10 0 EEAELP Cc1ncoc1C[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001483742171 1190893406 /nfs/dbraw/zinc/89/34/06/1190893406.db2.gz NQDNAXHGYVVWDO-OAHLLOKOSA-N 2 2 345.447 2.205 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)c1ccc(F)cc1F ZINC001483796136 1191027529 /nfs/dbraw/zinc/02/75/29/1191027529.db2.gz CGYBFZAAFSYNIH-LBPRGKRZSA-N 2 2 334.370 2.161 10 0 EEAELP Cc1ccccc1OCC[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001483869087 1191098906 /nfs/dbraw/zinc/09/89/06/1191098906.db2.gz KRXYNFPZVJZCED-UHFFFAOYSA-N 2 2 345.487 2.001 10 0 EEAELP Cc1ccccc1OCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001483869087 1191098909 /nfs/dbraw/zinc/09/89/09/1191098909.db2.gz KRXYNFPZVJZCED-UHFFFAOYSA-N 2 2 345.487 2.001 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001484058366 1191180545 /nfs/dbraw/zinc/18/05/45/1191180545.db2.gz LVCOAGKFNAAKKM-GOSISDBHSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001484058366 1191180547 /nfs/dbraw/zinc/18/05/47/1191180547.db2.gz LVCOAGKFNAAKKM-GOSISDBHSA-N 2 2 339.430 2.387 10 0 EEAELP CC(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484197034 1191268582 /nfs/dbraw/zinc/26/85/82/1191268582.db2.gz ZPMVPBBWVRMSKR-ZDUSSCGKSA-N 2 2 328.407 2.072 10 0 EEAELP CC(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484197034 1191268584 /nfs/dbraw/zinc/26/85/84/1191268584.db2.gz ZPMVPBBWVRMSKR-ZDUSSCGKSA-N 2 2 328.407 2.072 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001484467655 1191372385 /nfs/dbraw/zinc/37/23/85/1191372385.db2.gz MYTQIWIGPZPNPL-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001484467655 1191372387 /nfs/dbraw/zinc/37/23/87/1191372387.db2.gz MYTQIWIGPZPNPL-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP CC(C)OCCC[NH+]1CCC2(CN(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001484580024 1191425464 /nfs/dbraw/zinc/42/54/64/1191425464.db2.gz SDAZHCPTXHXZSM-UHFFFAOYSA-N 2 2 348.491 2.013 10 0 EEAELP CCC(CC)C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001484602421 1191435235 /nfs/dbraw/zinc/43/52/35/1191435235.db2.gz ARYDLIGQVPSMGZ-DOTOQJQBSA-N 2 2 336.480 2.087 10 0 EEAELP CCC(CC)C[N@H+]1CCOC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001484602421 1191435238 /nfs/dbraw/zinc/43/52/38/1191435238.db2.gz ARYDLIGQVPSMGZ-DOTOQJQBSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc3cnc(C)o3)ccn12 ZINC001485144973 1191664045 /nfs/dbraw/zinc/66/40/45/1191664045.db2.gz AVPYQBQVGAVOIU-QWHCGFSZSA-N 2 2 341.415 2.236 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001485170265 1191672170 /nfs/dbraw/zinc/67/21/70/1191672170.db2.gz SBLHDKBPYBRGDT-STQMWFEESA-N 2 2 341.415 2.236 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001485218253 1191690081 /nfs/dbraw/zinc/69/00/81/1191690081.db2.gz CMGUVQCJCGLOLL-STQMWFEESA-N 2 2 349.866 2.084 10 0 EEAELP CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(F)c2F)C1)[NH+](C)C ZINC001485514353 1191816326 /nfs/dbraw/zinc/81/63/26/1191816326.db2.gz WCPKLSZRAGDSNY-MLGOLLRUSA-N 2 2 339.430 2.242 10 0 EEAELP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC001486151542 1193702087 /nfs/dbraw/zinc/70/20/87/1193702087.db2.gz WKIAYQLZXGSOGB-APWZRJJASA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC001486151542 1193702088 /nfs/dbraw/zinc/70/20/88/1193702088.db2.gz WKIAYQLZXGSOGB-APWZRJJASA-N 2 2 346.475 2.117 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001486413345 1193922174 /nfs/dbraw/zinc/92/21/74/1193922174.db2.gz FXGVEWMXJOVDSP-CVEARBPZSA-N 2 2 336.480 2.032 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001486413003 1193922480 /nfs/dbraw/zinc/92/24/80/1193922480.db2.gz YBXDAFNWBPKUHN-IRXDYDNUSA-N 2 2 339.524 2.159 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001486413003 1193922483 /nfs/dbraw/zinc/92/24/83/1193922483.db2.gz YBXDAFNWBPKUHN-IRXDYDNUSA-N 2 2 339.524 2.159 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@H+](C/C=C/c2ccccc2)CC1 ZINC001486518242 1194039202 /nfs/dbraw/zinc/03/92/02/1194039202.db2.gz RBUASISZRDEUTA-QPJJXVBHSA-N 2 2 336.439 2.414 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC001486518242 1194039207 /nfs/dbraw/zinc/03/92/07/1194039207.db2.gz RBUASISZRDEUTA-QPJJXVBHSA-N 2 2 336.439 2.414 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)sc1C ZINC001273067328 1194365507 /nfs/dbraw/zinc/36/55/07/1194365507.db2.gz PDRAHOALBFAJIL-VXGBXAGGSA-N 2 2 349.504 2.346 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)sc1C ZINC001273067328 1194365511 /nfs/dbraw/zinc/36/55/11/1194365511.db2.gz PDRAHOALBFAJIL-VXGBXAGGSA-N 2 2 349.504 2.346 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]C/C(Cl)=C\Cl ZINC001410369747 1197761303 /nfs/dbraw/zinc/76/13/03/1197761303.db2.gz BLSDPVQLNIVNLY-QGWDSQMDSA-N 2 2 345.274 2.201 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ocnc1C ZINC001410370409 1197762183 /nfs/dbraw/zinc/76/21/83/1197762183.db2.gz FBCNYWXMIZGILK-ZIAGYGMSSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCc1ccccc1F ZINC001410378788 1197773115 /nfs/dbraw/zinc/77/31/15/1197773115.db2.gz JESOSUUSYFFDRC-NUEKZKHPSA-N 2 2 344.434 2.332 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCc1ccccc1F ZINC001410378788 1197773120 /nfs/dbraw/zinc/77/31/20/1197773120.db2.gz JESOSUUSYFFDRC-NUEKZKHPSA-N 2 2 344.434 2.332 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2ccccc2C1 ZINC000872089083 1198043572 /nfs/dbraw/zinc/04/35/72/1198043572.db2.gz YXRLMGXOTRCCSI-MOPGFXCFSA-N 2 2 329.488 2.254 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2ccccc2C1 ZINC000872089083 1198043579 /nfs/dbraw/zinc/04/35/79/1198043579.db2.gz YXRLMGXOTRCCSI-MOPGFXCFSA-N 2 2 329.488 2.254 10 0 EEAELP [NH3+]C[C@@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)C[C@@H]1C(F)(F)F ZINC000872147354 1198055625 /nfs/dbraw/zinc/05/56/25/1198055625.db2.gz IBLSOKYUCOOLBP-NEPJUHHUSA-N 2 2 342.365 2.201 10 0 EEAELP [NH3+]C[C@@H]1C[N@@H+](CCCn2c3ccccc3[nH]c2=O)C[C@@H]1C(F)(F)F ZINC000872147354 1198055633 /nfs/dbraw/zinc/05/56/33/1198055633.db2.gz IBLSOKYUCOOLBP-NEPJUHHUSA-N 2 2 342.365 2.201 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148752 1198057692 /nfs/dbraw/zinc/05/76/92/1198057692.db2.gz QYJPBYAQLBSXEF-FQUUOJAGSA-N 2 2 335.414 2.235 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872148752 1198057698 /nfs/dbraw/zinc/05/76/98/1198057698.db2.gz QYJPBYAQLBSXEF-FQUUOJAGSA-N 2 2 335.414 2.235 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001411202437 1198905029 /nfs/dbraw/zinc/90/50/29/1198905029.db2.gz YBOYNHPLDZNDJS-UHFFFAOYSA-N 2 2 336.480 2.002 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001411202437 1198905035 /nfs/dbraw/zinc/90/50/35/1198905035.db2.gz YBOYNHPLDZNDJS-UHFFFAOYSA-N 2 2 336.480 2.002 10 0 EEAELP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000810253339 1199405833 /nfs/dbraw/zinc/40/58/33/1199405833.db2.gz RPCNPUWKFYXUNI-UTUOFQBUSA-N 2 2 327.375 2.224 10 0 EEAELP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707668 1201586291 /nfs/dbraw/zinc/58/62/91/1201586291.db2.gz VQHSJIWFGRUVRP-KBXCAEBGSA-N 2 2 335.496 2.061 10 0 EEAELP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707668 1201586297 /nfs/dbraw/zinc/58/62/97/1201586297.db2.gz VQHSJIWFGRUVRP-KBXCAEBGSA-N 2 2 335.496 2.061 10 0 EEAELP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)CCc1[nH+]ccn1C ZINC001274857323 1205189820 /nfs/dbraw/zinc/18/98/20/1205189820.db2.gz BGAZTJDZHKEKGH-CQSZACIVSA-N 2 2 348.878 2.343 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCO[C@@H](C[NH2+]CCC(C)C)C2)c(C)[nH+]1 ZINC001280609994 1205300228 /nfs/dbraw/zinc/30/02/28/1205300228.db2.gz PKOVQUOFUNARRG-KRWDZBQOSA-N 2 2 333.476 2.484 10 0 EEAELP Cc1nnsc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275434677 1205360033 /nfs/dbraw/zinc/36/00/33/1205360033.db2.gz WPOCVDCDVNEVGY-VHSXEESVSA-N 2 2 344.444 2.019 10 0 EEAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cnn(C2CCC2)c1 ZINC000924901889 1206048606 /nfs/dbraw/zinc/04/86/06/1206048606.db2.gz LPJGSIXYHYHPMA-YJBOKZPZSA-N 2 2 347.507 2.201 10 0 EEAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cnn(C2CCC2)c1 ZINC000924901889 1206048610 /nfs/dbraw/zinc/04/86/10/1206048610.db2.gz LPJGSIXYHYHPMA-YJBOKZPZSA-N 2 2 347.507 2.201 10 0 EEAELP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450580 1206221406 /nfs/dbraw/zinc/22/14/06/1206221406.db2.gz OZMKDQXANNPNMA-YNKQFZHNSA-N 2 2 330.407 2.262 10 0 EEAELP C[NH+](C)CC1CCN(c2ccc(NC(=O)Cn3cc[nH+]c3)cc2)CC1 ZINC000081050377 1211112604 /nfs/dbraw/zinc/11/26/04/1211112604.db2.gz HIVKZLGREGQEET-UHFFFAOYSA-N 2 2 341.459 2.300 10 0 EEAELP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900630400 1234585536 /nfs/dbraw/zinc/58/55/36/1234585536.db2.gz MEFBWYLCTPUALC-INIZCTEOSA-N 2 2 341.459 2.067 10 0 EEAELP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900630400 1234585539 /nfs/dbraw/zinc/58/55/39/1234585539.db2.gz MEFBWYLCTPUALC-INIZCTEOSA-N 2 2 341.459 2.067 10 0 EEAELP COC[C@H](CC1CCOCC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903378602 1240346663 /nfs/dbraw/zinc/34/66/63/1240346663.db2.gz QZJNSAFALGGTKH-RBUKOAKNSA-N 2 2 335.492 2.496 10 0 EEAELP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000903879464 1242296088 /nfs/dbraw/zinc/29/60/88/1242296088.db2.gz BLTZQVBYPOUFTA-SJLPKXTDSA-N 2 2 343.500 2.493 10 0 EEAELP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000903879464 1242296097 /nfs/dbraw/zinc/29/60/97/1242296097.db2.gz BLTZQVBYPOUFTA-SJLPKXTDSA-N 2 2 343.500 2.493 10 0 EEAELP COc1cccc(Cl)c1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903925308 1242520094 /nfs/dbraw/zinc/52/00/94/1242520094.db2.gz DPVKMOFIJONBNI-LBPRGKRZSA-N 2 2 335.839 2.154 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001490948891 1258502920 /nfs/dbraw/zinc/50/29/20/1258502920.db2.gz RXTSBPSYRJIDCG-JOCQHMNTSA-N 2 2 346.397 2.322 10 0 EEAELP Cc1cnc(C[NH+](C)C[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)o1 ZINC001489333074 1290514557 /nfs/dbraw/zinc/51/45/57/1290514557.db2.gz IVAFLUKDYUJXMG-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cnc(C[NH+](C)C[C@@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)o1 ZINC001489333074 1290514563 /nfs/dbraw/zinc/51/45/63/1290514563.db2.gz IVAFLUKDYUJXMG-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cnc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)o1 ZINC001489333074 1290514568 /nfs/dbraw/zinc/51/45/68/1290514568.db2.gz IVAFLUKDYUJXMG-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cnc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)o1 ZINC001489333074 1290514573 /nfs/dbraw/zinc/51/45/73/1290514573.db2.gz IVAFLUKDYUJXMG-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1 ZINC001490256902 1291081132 /nfs/dbraw/zinc/08/11/32/1291081132.db2.gz BFZYXFHDUZWWNF-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001490256902 1291081142 /nfs/dbraw/zinc/08/11/42/1291081142.db2.gz BFZYXFHDUZWWNF-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1 ZINC001490256902 1291081154 /nfs/dbraw/zinc/08/11/54/1291081154.db2.gz BFZYXFHDUZWWNF-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001490256902 1291081160 /nfs/dbraw/zinc/08/11/60/1291081160.db2.gz BFZYXFHDUZWWNF-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@@H+]1C ZINC000851798118 1291841934 /nfs/dbraw/zinc/84/19/34/1291841934.db2.gz YIDYJSYQPNZVSZ-BZUAXINKSA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@H+]1C ZINC000851798118 1291841945 /nfs/dbraw/zinc/84/19/45/1291841945.db2.gz YIDYJSYQPNZVSZ-BZUAXINKSA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH+]1C ZINC000851798118 1291841955 /nfs/dbraw/zinc/84/19/55/1291841955.db2.gz YIDYJSYQPNZVSZ-BZUAXINKSA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH+]1C ZINC000851798118 1291841968 /nfs/dbraw/zinc/84/19/68/1291841968.db2.gz YIDYJSYQPNZVSZ-BZUAXINKSA-N 2 2 341.496 2.037 10 0 EEAELP FC(F)OCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000852041940 1291967558 /nfs/dbraw/zinc/96/75/58/1291967558.db2.gz SUBKZXKAUPOYSB-KRWDZBQOSA-N 2 2 339.430 2.118 10 0 EEAELP FC(F)OCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000852041940 1291967565 /nfs/dbraw/zinc/96/75/65/1291967565.db2.gz SUBKZXKAUPOYSB-KRWDZBQOSA-N 2 2 339.430 2.118 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3[nH]ncc3C)C2)ccn1 ZINC000856551141 1293564364 /nfs/dbraw/zinc/56/43/64/1293564364.db2.gz LJBDYEKFSHALDP-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3[nH]ncc3C)C2)ccn1 ZINC000856551141 1293564370 /nfs/dbraw/zinc/56/43/70/1293564370.db2.gz LJBDYEKFSHALDP-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3[nH]ncc3C)C2)ccn1 ZINC000856551141 1293564373 /nfs/dbraw/zinc/56/43/73/1293564373.db2.gz LJBDYEKFSHALDP-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3[nH]ncc3C)C2)ccn1 ZINC000856551141 1293564374 /nfs/dbraw/zinc/56/43/74/1293564374.db2.gz LJBDYEKFSHALDP-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3n[nH]cc3C)C2)ccn1 ZINC000856551141 1293564378 /nfs/dbraw/zinc/56/43/78/1293564378.db2.gz LJBDYEKFSHALDP-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3n[nH]cc3C)C2)ccn1 ZINC000856551141 1293564384 /nfs/dbraw/zinc/56/43/84/1293564384.db2.gz LJBDYEKFSHALDP-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3n[nH]cc3C)C2)ccn1 ZINC000856551141 1293564387 /nfs/dbraw/zinc/56/43/87/1293564387.db2.gz LJBDYEKFSHALDP-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3n[nH]cc3C)C2)ccn1 ZINC000856551141 1293564392 /nfs/dbraw/zinc/56/43/92/1293564392.db2.gz LJBDYEKFSHALDP-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP C[NH+]1CCC(CNc2cc(Cl)[nH]c(=O)n2)([NH+]2CCCCC2)CC1 ZINC000858426936 1294114925 /nfs/dbraw/zinc/11/49/25/1294114925.db2.gz XIEGUVWCMAYCKQ-UHFFFAOYSA-N 2 2 339.871 2.198 10 0 EEAELP CC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1[NH2+]CCOC ZINC001276737469 1297114047 /nfs/dbraw/zinc/11/40/47/1297114047.db2.gz ADDRNPGJWDSCLJ-WBVHZDCISA-N 2 2 344.459 2.119 10 0 EEAELP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCC[C@H]1CCOC1 ZINC001277884929 1305016621 /nfs/dbraw/zinc/01/66/21/1305016621.db2.gz FRASMLAHDOIPQU-HOTGVXAUSA-N 2 2 344.459 2.201 10 0 EEAELP O=C1CC(F)(F)CN1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000841678311 1315594920 /nfs/dbraw/zinc/59/49/20/1315594920.db2.gz KEQWRBTWCRIHRV-UHFFFAOYSA-N 2 2 329.435 2.400 10 0 EEAELP Cc1cc(C)cc(-n2ncc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)c1 ZINC000843059716 1315831707 /nfs/dbraw/zinc/83/17/07/1315831707.db2.gz QTXNSFYSSSBGRG-KFKAGJAMSA-N 2 2 325.460 2.443 10 0 EEAELP Cc1cc(C)cc(-n2ncc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)c1 ZINC000843059716 1315831708 /nfs/dbraw/zinc/83/17/08/1315831708.db2.gz QTXNSFYSSSBGRG-KFKAGJAMSA-N 2 2 325.460 2.443 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001263851403 1322536882 /nfs/dbraw/zinc/53/68/82/1322536882.db2.gz HWCPAARUNQMGMF-BETUJISGSA-N 2 2 332.370 2.100 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]Cc1ccns1 ZINC001263955450 1322567604 /nfs/dbraw/zinc/56/76/04/1322567604.db2.gz LCGICLOYOUKCEV-BBRMVZONSA-N 2 2 347.488 2.216 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC001264411338 1322694057 /nfs/dbraw/zinc/69/40/57/1322694057.db2.gz GHKZOIHAOBSUDI-RHNCMZPLSA-N 2 2 349.438 2.116 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001264987780 1322836579 /nfs/dbraw/zinc/83/65/79/1322836579.db2.gz LEZAPXPTUNJCOS-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)Cc2ncc(C3CC3)o2)CC[N@H+]1C ZINC001264987780 1322836586 /nfs/dbraw/zinc/83/65/86/1322836586.db2.gz LEZAPXPTUNJCOS-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)Cc2ncc(C3CC3)o2)CC[NH+]1C ZINC001264987780 1322836590 /nfs/dbraw/zinc/83/65/90/1322836590.db2.gz LEZAPXPTUNJCOS-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)Cc2ncc(C3CC3)o2)CC[NH+]1C ZINC001264987780 1322836592 /nfs/dbraw/zinc/83/65/92/1322836592.db2.gz LEZAPXPTUNJCOS-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001265061936 1322901147 /nfs/dbraw/zinc/90/11/47/1322901147.db2.gz HCRNOOUBHNNOGP-CYBMUJFWSA-N 2 2 328.407 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001265061936 1322901151 /nfs/dbraw/zinc/90/11/51/1322901151.db2.gz HCRNOOUBHNNOGP-CYBMUJFWSA-N 2 2 328.407 2.134 10 0 EEAELP CCOC1CC(C[N@H+](C)CCCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001265890531 1323459985 /nfs/dbraw/zinc/45/99/85/1323459985.db2.gz SXXIKWFTUOCHFW-UHFFFAOYSA-N 2 2 344.459 2.201 10 0 EEAELP CCOC1CC(C[N@@H+](C)CCCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001265890531 1323459994 /nfs/dbraw/zinc/45/99/94/1323459994.db2.gz SXXIKWFTUOCHFW-UHFFFAOYSA-N 2 2 344.459 2.201 10 0 EEAELP COCCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001266010550 1323562779 /nfs/dbraw/zinc/56/27/79/1323562779.db2.gz KGHSBIPBMGSUMF-NVXWUHKLSA-N 2 2 336.480 2.046 10 0 EEAELP CCC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001266084827 1323642568 /nfs/dbraw/zinc/64/25/68/1323642568.db2.gz JLMNSGAPKQXPCU-SFHVURJKSA-N 2 2 340.471 2.304 10 0 EEAELP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001266169513 1323738947 /nfs/dbraw/zinc/73/89/47/1323738947.db2.gz BEGLKEOHTKFAFW-WMZOPIPTSA-N 2 2 337.508 2.080 10 0 EEAELP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001266169513 1323738949 /nfs/dbraw/zinc/73/89/49/1323738949.db2.gz BEGLKEOHTKFAFW-WMZOPIPTSA-N 2 2 337.508 2.080 10 0 EEAELP CCOCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001279125818 1323836198 /nfs/dbraw/zinc/83/61/98/1323836198.db2.gz RPQCOGWUOVCSDM-HOTGVXAUSA-N 2 2 344.459 2.059 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001279409732 1323900192 /nfs/dbraw/zinc/90/01/92/1323900192.db2.gz KIMMSXIURJJEEJ-WZDWLKHJSA-N 2 2 330.476 2.397 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@H]2C1 ZINC001279409732 1323900196 /nfs/dbraw/zinc/90/01/96/1323900196.db2.gz KIMMSXIURJJEEJ-WZDWLKHJSA-N 2 2 330.476 2.397 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]Cc2cc(F)ccc2F)C1 ZINC001280307181 1324151223 /nfs/dbraw/zinc/15/12/23/1324151223.db2.gz JSMQUNPOTFJWHV-CQSZACIVSA-N 2 2 348.397 2.190 10 0 EEAELP CCCCOCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001281428437 1325082018 /nfs/dbraw/zinc/08/20/18/1325082018.db2.gz HNSATSVUUMILMM-CVEARBPZSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001283507286 1326104494 /nfs/dbraw/zinc/10/44/94/1326104494.db2.gz LGVJBBHMWXBFLV-SJORKVTESA-N 2 2 332.492 2.318 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491597168 1330179026 /nfs/dbraw/zinc/17/90/26/1330179026.db2.gz YBRIHODWDZRUJZ-KGLIPLIRSA-N 2 2 348.422 2.276 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001491651291 1330199144 /nfs/dbraw/zinc/19/91/44/1330199144.db2.gz PVGJOXPMXQOISQ-OLZOCXBDSA-N 2 2 330.432 2.125 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001491807809 1330277612 /nfs/dbraw/zinc/27/76/12/1330277612.db2.gz ARPVZONZDFFQQG-NSHDSACASA-N 2 2 331.247 2.099 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001491807809 1330277613 /nfs/dbraw/zinc/27/76/13/1330277613.db2.gz ARPVZONZDFFQQG-NSHDSACASA-N 2 2 331.247 2.099 10 0 EEAELP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001492043715 1330417348 /nfs/dbraw/zinc/41/73/48/1330417348.db2.gz OUWQHRGIANZHRA-UKRRQHHQSA-N 2 2 344.459 2.476 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317152751 1332101862 /nfs/dbraw/zinc/10/18/62/1332101862.db2.gz NYBDARZKLUDDHR-SJORKVTESA-N 2 2 332.492 2.320 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001317302370 1332170805 /nfs/dbraw/zinc/17/08/05/1332170805.db2.gz VGDVHDGTXVBVFL-INIZCTEOSA-N 2 2 332.473 2.227 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001317302370 1332170807 /nfs/dbraw/zinc/17/08/07/1332170807.db2.gz VGDVHDGTXVBVFL-INIZCTEOSA-N 2 2 332.473 2.227 10 0 EEAELP CC[C@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001318848100 1332611081 /nfs/dbraw/zinc/61/10/81/1332611081.db2.gz CSKFBYWCJZKUPB-HOTGVXAUSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001319487549 1332710386 /nfs/dbraw/zinc/71/03/86/1332710386.db2.gz YRHGUCOGEINJCF-GJZGRUSLSA-N 2 2 346.500 2.186 10 0 EEAELP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319735968 1332754386 /nfs/dbraw/zinc/75/43/86/1332754386.db2.gz LIISJRVOLOTCGS-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319735968 1332754388 /nfs/dbraw/zinc/75/43/88/1332754388.db2.gz LIISJRVOLOTCGS-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001320170748 1332843074 /nfs/dbraw/zinc/84/30/74/1332843074.db2.gz JUHXQBYALAUCDT-FUHWJXTLSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001320467540 1332891010 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CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001438662966 1091150350 /nfs/dbraw/zinc/15/03/50/1091150350.db2.gz SDZNBYNUHXWITJ-ZBFHGGJFSA-N 2 2 348.491 2.363 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)o1 ZINC001445445049 1091206495 /nfs/dbraw/zinc/20/64/95/1091206495.db2.gz LIZMTDRVUVKADT-CYBMUJFWSA-N 2 2 347.463 2.160 10 0 EEAELP C[C@H](C[N@H+](C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445771077 1091631000 /nfs/dbraw/zinc/63/10/00/1091631000.db2.gz QAXPCLMKFWGCPT-CJNGLKHVSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445771077 1091631001 /nfs/dbraw/zinc/63/10/01/1091631001.db2.gz QAXPCLMKFWGCPT-CJNGLKHVSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](C[NH+](C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445771077 1091631006 /nfs/dbraw/zinc/63/10/06/1091631006.db2.gz QAXPCLMKFWGCPT-CJNGLKHVSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](C[NH+](C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445771077 1091631013 /nfs/dbraw/zinc/63/10/13/1091631013.db2.gz QAXPCLMKFWGCPT-CJNGLKHVSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H](C[N@H+](C)[C@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439377532 1092118183 /nfs/dbraw/zinc/11/81/83/1092118183.db2.gz YSEFITJGLPRASN-GTNSWQLSSA-N 2 2 348.397 2.354 10 0 EEAELP C[C@@H](C[N@@H+](C)[C@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439377532 1092118186 /nfs/dbraw/zinc/11/81/86/1092118186.db2.gz YSEFITJGLPRASN-GTNSWQLSSA-N 2 2 348.397 2.354 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2cc3ccccc3o2)C1 ZINC001439545887 1092416149 /nfs/dbraw/zinc/41/61/49/1092416149.db2.gz JPLGNEVXELNEQR-DOTOQJQBSA-N 2 2 341.455 2.465 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2cc3ccccc3o2)C1 ZINC001439545887 1092416155 /nfs/dbraw/zinc/41/61/55/1092416155.db2.gz JPLGNEVXELNEQR-DOTOQJQBSA-N 2 2 341.455 2.465 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC001439545887 1092416158 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CCc1cnc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]2CC)o1 ZINC001440454413 1093670961 /nfs/dbraw/zinc/67/09/61/1093670961.db2.gz OJQZRXWAMLGZKN-JKSUJKDBSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]2CC)o1 ZINC001440454413 1093670965 /nfs/dbraw/zinc/67/09/65/1093670965.db2.gz OJQZRXWAMLGZKN-JKSUJKDBSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]2CC)o1 ZINC001440454413 1093670968 /nfs/dbraw/zinc/67/09/68/1093670968.db2.gz OJQZRXWAMLGZKN-JKSUJKDBSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]2CC)o1 ZINC001440454413 1093670970 /nfs/dbraw/zinc/67/09/70/1093670970.db2.gz OJQZRXWAMLGZKN-JKSUJKDBSA-N 2 2 336.480 2.048 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001440503138 1093745516 /nfs/dbraw/zinc/74/55/16/1093745516.db2.gz UCQMQDBFSAHEAS-JZXOWHBKSA-N 2 2 348.491 2.230 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001440503138 1093745520 /nfs/dbraw/zinc/74/55/20/1093745520.db2.gz UCQMQDBFSAHEAS-JZXOWHBKSA-N 2 2 348.491 2.230 10 0 EEAELP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001448714275 1093785306 /nfs/dbraw/zinc/78/53/06/1093785306.db2.gz YCARBIQDUAUMCI-AEFFLSMTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001448714275 1093785312 /nfs/dbraw/zinc/78/53/12/1093785312.db2.gz YCARBIQDUAUMCI-AEFFLSMTSA-N 2 2 339.524 2.112 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]CCC(F)(F)F)c[nH+]1 ZINC001440661463 1093930737 /nfs/dbraw/zinc/93/07/37/1093930737.db2.gz QRVXCIUYUSXJTJ-NSHDSACASA-N 2 2 334.386 2.363 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC001440857723 1094118557 /nfs/dbraw/zinc/11/85/57/1094118557.db2.gz WKPDAUMZOSLNJR-GHMZBOCLSA-N 2 2 338.814 2.428 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1 ZINC001449389482 1094365962 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NGYGTUSXVMPIBX-IYBDPMFKSA-N 2 2 348.491 2.233 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1)c1ccccc1 ZINC001441526157 1095232015 /nfs/dbraw/zinc/23/20/15/1095232015.db2.gz IVBYQCZAOLHKSI-FGTMMUONSA-N 2 2 342.443 2.104 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1)c1ccccc1 ZINC001441526157 1095232027 /nfs/dbraw/zinc/23/20/27/1095232027.db2.gz IVBYQCZAOLHKSI-FGTMMUONSA-N 2 2 342.443 2.104 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)Cc2ccccc2)o1 ZINC001441636691 1095541972 /nfs/dbraw/zinc/54/19/72/1095541972.db2.gz FXFIICDZJJZUDZ-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)Cc2ccccc2)o1 ZINC001441636691 1095541983 /nfs/dbraw/zinc/54/19/83/1095541983.db2.gz FXFIICDZJJZUDZ-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC001441670864 1095644064 /nfs/dbraw/zinc/64/40/64/1095644064.db2.gz FNMCKIBPESPXGU-LSDHHAIUSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC001441670864 1095644071 /nfs/dbraw/zinc/64/40/71/1095644071.db2.gz FNMCKIBPESPXGU-LSDHHAIUSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[NH2+]C/C(Cl)=C/Cl)C2 ZINC001441952414 1096153087 /nfs/dbraw/zinc/15/30/87/1096153087.db2.gz PHSITJNHDPCQEM-ZXHONBBGSA-N 2 2 345.274 2.167 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001442072907 1096284995 /nfs/dbraw/zinc/28/49/95/1096284995.db2.gz QSIBQUGIFWTSGW-BAABZTOOSA-N 2 2 332.835 2.344 10 0 EEAELP CC(C)N(CC[N@H+](C)CC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001442103152 1096327587 /nfs/dbraw/zinc/32/75/87/1096327587.db2.gz ABZORIOWKPCBIX-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001442103152 1096327590 /nfs/dbraw/zinc/32/75/90/1096327590.db2.gz ABZORIOWKPCBIX-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)N(CC[N@H+](C)CC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001442103152 1096327595 /nfs/dbraw/zinc/32/75/95/1096327595.db2.gz ABZORIOWKPCBIX-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC1CCOCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001442103152 1096327598 /nfs/dbraw/zinc/32/75/98/1096327598.db2.gz ABZORIOWKPCBIX-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](Cc2nocc2C)C1 ZINC001443879040 1098404855 /nfs/dbraw/zinc/40/48/55/1098404855.db2.gz HOVHHJWPLFUPJX-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](Cc2nocc2C)C1 ZINC001443879040 1098404856 /nfs/dbraw/zinc/40/48/56/1098404856.db2.gz HOVHHJWPLFUPJX-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001443879040 1098404858 /nfs/dbraw/zinc/40/48/58/1098404858.db2.gz HOVHHJWPLFUPJX-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001443879040 1098404859 /nfs/dbraw/zinc/40/48/59/1098404859.db2.gz HOVHHJWPLFUPJX-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(C)cc1 ZINC001443947000 1098466791 /nfs/dbraw/zinc/46/67/91/1098466791.db2.gz CRRBEPBKZHMHHQ-MSOLQXFVSA-N 2 2 340.471 2.439 10 0 EEAELP COCCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001479692711 1098757677 /nfs/dbraw/zinc/75/76/77/1098757677.db2.gz PQQNAODWJZTGBJ-IRXDYDNUSA-N 2 2 336.480 2.232 10 0 EEAELP Cc1ncccc1C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479720548 1098808548 /nfs/dbraw/zinc/80/85/48/1098808548.db2.gz PVYOCNFEGQXWLI-LESCRADOSA-N 2 2 341.459 2.317 10 0 EEAELP Cc1ncccc1C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479720548 1098808565 /nfs/dbraw/zinc/80/85/65/1098808565.db2.gz PVYOCNFEGQXWLI-LESCRADOSA-N 2 2 341.459 2.317 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCC(F)(F)F ZINC001479730595 1098828099 /nfs/dbraw/zinc/82/80/99/1098828099.db2.gz AWJNKASMSHNROD-OLZOCXBDSA-N 2 2 332.370 2.195 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCC(F)(F)F ZINC001479730595 1098828115 /nfs/dbraw/zinc/82/81/15/1098828115.db2.gz AWJNKASMSHNROD-OLZOCXBDSA-N 2 2 332.370 2.195 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001479757647 1098913002 /nfs/dbraw/zinc/91/30/02/1098913002.db2.gz SLZHPCSLVJEOSB-ZBFHGGJFSA-N 2 2 346.500 2.299 10 0 EEAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCOC1CCC1 ZINC001479777762 1098960329 /nfs/dbraw/zinc/96/03/29/1098960329.db2.gz BQXXCLZIUOBRLN-UHFFFAOYSA-N 2 2 330.432 2.184 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CCOC1CCC1 ZINC001479777762 1098960339 /nfs/dbraw/zinc/96/03/39/1098960339.db2.gz BQXXCLZIUOBRLN-UHFFFAOYSA-N 2 2 330.432 2.184 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001444424703 1099047237 /nfs/dbraw/zinc/04/72/37/1099047237.db2.gz VQFAIHUHHUOGSB-OAHLLOKOSA-N 2 2 326.444 2.303 10 0 EEAELP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](Cc1coc(C2CC2)n1)C1CC1 ZINC001479873769 1099225736 /nfs/dbraw/zinc/22/57/36/1099225736.db2.gz FSQFNAZXYAQZDB-QGZVFWFLSA-N 2 2 346.475 2.117 10 0 EEAELP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](Cc1coc(C2CC2)n1)C1CC1 ZINC001479873769 1099225753 /nfs/dbraw/zinc/22/57/53/1099225753.db2.gz FSQFNAZXYAQZDB-QGZVFWFLSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC001479873769 1099225767 /nfs/dbraw/zinc/22/57/67/1099225767.db2.gz FSQFNAZXYAQZDB-QGZVFWFLSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](Cc1coc(C2CC2)n1)C1CC1 ZINC001479873769 1099225810 /nfs/dbraw/zinc/22/58/10/1099225810.db2.gz FSQFNAZXYAQZDB-QGZVFWFLSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nccs1 ZINC001480332989 1100095493 /nfs/dbraw/zinc/09/54/93/1100095493.db2.gz PITAXACTFZBBOL-OAHLLOKOSA-N 2 2 338.521 2.346 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1nccs1 ZINC001480332989 1100095504 /nfs/dbraw/zinc/09/55/04/1100095504.db2.gz PITAXACTFZBBOL-OAHLLOKOSA-N 2 2 338.521 2.346 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001480342601 1100108246 /nfs/dbraw/zinc/10/82/46/1100108246.db2.gz VMXQOHHBOOELKU-SJORKVTESA-N 2 2 339.524 2.114 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001480342601 1100108249 /nfs/dbraw/zinc/10/82/49/1100108249.db2.gz VMXQOHHBOOELKU-SJORKVTESA-N 2 2 339.524 2.114 10 0 EEAELP COCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001480371316 1100150762 /nfs/dbraw/zinc/15/07/62/1100150762.db2.gz CZEAPYSPCFZWTR-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP COCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001480371316 1100150766 /nfs/dbraw/zinc/15/07/66/1100150766.db2.gz CZEAPYSPCFZWTR-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP CCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001480479817 1100287450 /nfs/dbraw/zinc/28/74/50/1100287450.db2.gz MVEOPRAFFSCLMP-IAOVAPTHSA-N 2 2 326.444 2.370 10 0 EEAELP CCc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001480479817 1100287453 /nfs/dbraw/zinc/28/74/53/1100287453.db2.gz MVEOPRAFFSCLMP-IAOVAPTHSA-N 2 2 326.444 2.370 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001480489438 1100300167 /nfs/dbraw/zinc/30/01/67/1100300167.db2.gz HZKVDBMMNIVBMO-GJZGRUSLSA-N 2 2 344.434 2.188 10 0 EEAELP C[C@@](C[NH2+]CCF)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001495272310 1100967910 /nfs/dbraw/zinc/96/79/10/1100967910.db2.gz OMWQVTQWLAVBPO-SFHVURJKSA-N 2 2 330.407 2.330 10 0 EEAELP C[C@@](C[NH2+]Cc1ccc(Cl)nc1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001495302751 1101003615 /nfs/dbraw/zinc/00/36/15/1101003615.db2.gz KVNMVMRZAXIWSN-KRWDZBQOSA-N 2 2 347.850 2.006 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C[NH2+]C/C=C\Cl ZINC001496477627 1101069182 /nfs/dbraw/zinc/06/91/82/1101069182.db2.gz HUTOLWDIZOBWGU-JFCGUDLGSA-N 2 2 338.883 2.322 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001446605971 1101103957 /nfs/dbraw/zinc/10/39/57/1101103957.db2.gz VSRIMIHJSBQWFX-LJQANCHMSA-N 2 2 344.503 2.371 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001495665645 1101406365 /nfs/dbraw/zinc/40/63/65/1101406365.db2.gz KXWUNMOWENFBLD-LBPRGKRZSA-N 2 2 341.415 2.095 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC001446921458 1101598893 /nfs/dbraw/zinc/59/88/93/1101598893.db2.gz FJWHRTGGRDIUCE-WYHIMMKASA-N 2 2 336.867 2.074 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC001446921458 1101598903 /nfs/dbraw/zinc/59/89/03/1101598903.db2.gz FJWHRTGGRDIUCE-WYHIMMKASA-N 2 2 336.867 2.074 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001497281261 1102246896 /nfs/dbraw/zinc/24/68/96/1102246896.db2.gz BLNDBNHZIYXULH-STQMWFEESA-N 2 2 333.436 2.124 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)Cc1c[nH+]cn1C ZINC001497303486 1102283763 /nfs/dbraw/zinc/28/37/63/1102283763.db2.gz HZYAUQNHSJJMQX-CQSZACIVSA-N 2 2 348.878 2.343 10 0 EEAELP CN(CCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)Cc1c[nH+]cn1C ZINC001447369472 1102540141 /nfs/dbraw/zinc/54/01/41/1102540141.db2.gz CXFBNCHVVONNCP-CQSZACIVSA-N 2 2 342.434 2.178 10 0 EEAELP CN(CCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)Cc1c[nH+]cn1C ZINC001447369472 1102540152 /nfs/dbraw/zinc/54/01/52/1102540152.db2.gz CXFBNCHVVONNCP-CQSZACIVSA-N 2 2 342.434 2.178 10 0 EEAELP Cc1ccncc1C[NH2+]C/C=C/CNC(=O)c1cccc2[nH+]ccn21 ZINC001497631317 1102780256 /nfs/dbraw/zinc/78/02/56/1102780256.db2.gz AOUWCIBPVJCEPU-NSCUHMNNSA-N 2 2 335.411 2.114 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497763345 1103054684 /nfs/dbraw/zinc/05/46/84/1103054684.db2.gz LFSCDJNWSBBWJZ-LRPXVYOUSA-N 2 2 346.475 2.187 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001497765643 1103064809 /nfs/dbraw/zinc/06/48/09/1103064809.db2.gz SOWMXWMWPIKIPO-DVBCCOPCSA-N 2 2 342.443 2.048 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1F ZINC001447881847 1103507076 /nfs/dbraw/zinc/50/70/76/1103507076.db2.gz HNXBQYCCROVGOC-GJZGRUSLSA-N 2 2 332.423 2.404 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2[nH+]ccn2C)c1 ZINC001447899355 1103549657 /nfs/dbraw/zinc/54/96/57/1103549657.db2.gz XTXKOYFGFJXEHY-CABCVRRESA-N 2 2 346.450 2.483 10 0 EEAELP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2csc(C3CC3)n2)C1 ZINC001494847253 1104446985 /nfs/dbraw/zinc/44/69/85/1104446985.db2.gz MKVXWHVHJKEOJN-OAHLLOKOSA-N 2 2 336.505 2.005 10 0 EEAELP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC001494847253 1104446993 /nfs/dbraw/zinc/44/69/93/1104446993.db2.gz MKVXWHVHJKEOJN-OAHLLOKOSA-N 2 2 336.505 2.005 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001494851687 1104455094 /nfs/dbraw/zinc/45/50/94/1104455094.db2.gz VICKJHUQDXSYQA-GDBMZVCRSA-N 2 2 345.447 2.118 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001494851687 1104455099 /nfs/dbraw/zinc/45/50/99/1104455099.db2.gz VICKJHUQDXSYQA-GDBMZVCRSA-N 2 2 345.447 2.118 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCc1cccs1 ZINC001495011281 1104653718 /nfs/dbraw/zinc/65/37/18/1104653718.db2.gz ICCFWYCSSFVLRZ-CABCVRRESA-N 2 2 346.500 2.234 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001495014680 1104656172 /nfs/dbraw/zinc/65/61/72/1104656172.db2.gz XKZVROYKXABYNU-HZPDHXFCSA-N 2 2 344.434 2.269 10 0 EEAELP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)n1 ZINC001480603005 1106751899 /nfs/dbraw/zinc/75/18/99/1106751899.db2.gz QWDAQAXMVDGYSW-CYBMUJFWSA-N 2 2 335.839 2.006 10 0 EEAELP CCC(CC)C[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001498101399 1106922333 /nfs/dbraw/zinc/92/23/33/1106922333.db2.gz ZZXSLZOQSXPKKB-YJBOKZPZSA-N 2 2 339.524 2.160 10 0 EEAELP CCC(CC)C[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001498101399 1106922342 /nfs/dbraw/zinc/92/23/42/1106922342.db2.gz ZZXSLZOQSXPKKB-YJBOKZPZSA-N 2 2 339.524 2.160 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CCNC(=O)c2cccc3[nH+]ccn32)s1 ZINC001480779290 1107103525 /nfs/dbraw/zinc/10/35/25/1107103525.db2.gz YQILETHFUFBITM-GFCCVEGCSA-N 2 2 343.456 2.397 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1cccc(OC)c1 ZINC001493048750 1107391840 /nfs/dbraw/zinc/39/18/40/1107391840.db2.gz GWHZRHCHSYGBCZ-OAHLLOKOSA-N 2 2 344.459 2.469 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@H](C)c1cccc(OC)c1 ZINC001493048750 1107391855 /nfs/dbraw/zinc/39/18/55/1107391855.db2.gz GWHZRHCHSYGBCZ-OAHLLOKOSA-N 2 2 344.459 2.469 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C\Cl)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001498569568 1107737299 /nfs/dbraw/zinc/73/72/99/1107737299.db2.gz AGDMOGVOEURHNV-GKWYLQRDSA-N 2 2 345.274 2.203 10 0 EEAELP Cc1cncc(C[NH2+]CCCN(C)C(=O)c2cccc3[nH+]ccn32)c1 ZINC001498578342 1107754731 /nfs/dbraw/zinc/75/47/31/1107754731.db2.gz WUOVFDUNQWSYNC-UHFFFAOYSA-N 2 2 337.427 2.290 10 0 EEAELP CN(CCC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)Cc1c[nH+]cn1C ZINC001498642391 1107875736 /nfs/dbraw/zinc/87/57/36/1107875736.db2.gz ZWUHBOIKFRMFRM-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ncoc1C(C)C ZINC001493713393 1108550988 /nfs/dbraw/zinc/55/09/88/1108550988.db2.gz NLZJGMXGGWAHOO-UHFFFAOYSA-N 2 2 347.463 2.366 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C[C@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC001473755892 1110579734 /nfs/dbraw/zinc/57/97/34/1110579734.db2.gz QKKCGMSGKVFNIC-IBGZPJMESA-N 2 2 345.531 2.335 10 0 EEAELP Cc1conc1C[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001499462032 1112297632 /nfs/dbraw/zinc/29/76/32/1112297632.db2.gz WQZSYIHHCLGLEO-UHFFFAOYSA-N 2 2 342.443 2.097 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001501389918 1113338177 /nfs/dbraw/zinc/33/81/77/1113338177.db2.gz CMQJJJLYDZYSMO-LMSBXDPUSA-N 2 2 346.475 2.005 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001501389918 1113338181 /nfs/dbraw/zinc/33/81/81/1113338181.db2.gz CMQJJJLYDZYSMO-LMSBXDPUSA-N 2 2 346.475 2.005 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001501389918 1113338184 /nfs/dbraw/zinc/33/81/84/1113338184.db2.gz CMQJJJLYDZYSMO-LMSBXDPUSA-N 2 2 346.475 2.005 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001501389918 1113338187 /nfs/dbraw/zinc/33/81/87/1113338187.db2.gz CMQJJJLYDZYSMO-LMSBXDPUSA-N 2 2 346.475 2.005 10 0 EEAELP CC1([NH2+]CCc2ccccc2F)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001502811623 1113808617 /nfs/dbraw/zinc/80/86/17/1113808617.db2.gz ZGVLTIUOKFBOQP-UHFFFAOYSA-N 2 2 344.434 2.236 10 0 EEAELP C[N@@H+](Cc1cncs1)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001505469818 1114005796 /nfs/dbraw/zinc/00/57/96/1114005796.db2.gz WCEQIJDERJZDOL-HNNXBMFYSA-N 2 2 347.488 2.243 10 0 EEAELP C[N@H+](Cc1cncs1)C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001505469818 1114005798 /nfs/dbraw/zinc/00/57/98/1114005798.db2.gz WCEQIJDERJZDOL-HNNXBMFYSA-N 2 2 347.488 2.243 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CC(C[NH2+]Cc2cccc(F)c2F)C1 ZINC001505510911 1114029769 /nfs/dbraw/zinc/02/97/69/1114029769.db2.gz VKLPTBNCJBLDSE-UHFFFAOYSA-N 2 2 348.397 2.236 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]CCCc2ccccc2)C1 ZINC001505525705 1114035335 /nfs/dbraw/zinc/03/53/35/1114035335.db2.gz DBLJSMMXXUSQEJ-UHFFFAOYSA-N 2 2 326.444 2.069 10 0 EEAELP COCc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001505739608 1114161564 /nfs/dbraw/zinc/16/15/64/1114161564.db2.gz RYWAGEKATQEHKV-KGLIPLIRSA-N 2 2 344.459 2.090 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[N@H+](CCOCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001506747938 1114860613 /nfs/dbraw/zinc/86/06/13/1114860613.db2.gz PVULWRKRPQGATK-RDJZCZTQSA-N 2 2 348.491 2.087 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[N@@H+](CCOCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001506747938 1114860615 /nfs/dbraw/zinc/86/06/15/1114860615.db2.gz PVULWRKRPQGATK-RDJZCZTQSA-N 2 2 348.491 2.087 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001507144623 1115131357 /nfs/dbraw/zinc/13/13/57/1115131357.db2.gz QUCWCJKBMHQPSQ-UONOGXRCSA-N 2 2 342.434 2.225 10 0 EEAELP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C)co1 ZINC001507290196 1115175749 /nfs/dbraw/zinc/17/57/49/1115175749.db2.gz QGBIFTKAMBZSQH-CXAGYDPISA-N 2 2 345.447 2.047 10 0 EEAELP C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2ccccn2)C1)n1cc[nH+]c1 ZINC001508139050 1115426235 /nfs/dbraw/zinc/42/62/35/1115426235.db2.gz LLRSMUARJKAOSG-OOHWJJMZSA-N 2 2 327.432 2.008 10 0 EEAELP CCOCC[NH2+]C[C@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001568022934 1124235951 /nfs/dbraw/zinc/23/59/51/1124235951.db2.gz HGEYEZCFXJLTFP-SFHVURJKSA-N 2 2 330.432 2.088 10 0 EEAELP COCCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001568358940 1124435803 /nfs/dbraw/zinc/43/58/03/1124435803.db2.gz GYEFJINRRXYSRW-HOCLYGCPSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001568683270 1124696278 /nfs/dbraw/zinc/69/62/78/1124696278.db2.gz UZPHVEODXWWZCN-ZIAGYGMSSA-N 2 2 333.411 2.053 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001568874616 1124900891 /nfs/dbraw/zinc/90/08/91/1124900891.db2.gz BWVXMQHUUGRPOR-CKBPIOJVSA-N 2 2 338.455 2.469 10 0 EEAELP CC(C)C[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001568875591 1124901834 /nfs/dbraw/zinc/90/18/34/1124901834.db2.gz LESHZWSJNJMNNV-FEFZKZJHSA-N 2 2 332.492 2.390 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001569327865 1125232174 /nfs/dbraw/zinc/23/21/74/1125232174.db2.gz RTIVYRGDJZWOLU-SFHVURJKSA-N 2 2 332.492 2.417 10 0 EEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000113586883 539396125 /nfs/dbraw/zinc/39/61/25/539396125.db2.gz ZNDNYBPYWBNOMN-IUODEOHRSA-N 2 2 347.850 2.366 10 0 EEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000113586883 539396132 /nfs/dbraw/zinc/39/61/32/539396132.db2.gz ZNDNYBPYWBNOMN-IUODEOHRSA-N 2 2 347.850 2.366 10 0 EEAELP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000449393465 291001986 /nfs/dbraw/zinc/00/19/86/291001986.db2.gz CETKNIHPHQJRQU-KSZLIROESA-N 2 2 340.508 2.325 10 0 EEAELP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000449393465 291001988 /nfs/dbraw/zinc/00/19/88/291001988.db2.gz CETKNIHPHQJRQU-KSZLIROESA-N 2 2 340.508 2.325 10 0 EEAELP COc1cccc(N2CCC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422755684 240208454 /nfs/dbraw/zinc/20/84/54/240208454.db2.gz GTGYJRKEYHUGOD-FFZOFVMBSA-N 2 2 345.487 2.021 10 0 EEAELP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422779223 240220835 /nfs/dbraw/zinc/22/08/35/240220835.db2.gz FLIGHXIHKMLUSP-VQTJNVASSA-N 3 2 329.488 2.139 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCO[C@H]2CCOC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422872797 240269120 /nfs/dbraw/zinc/26/91/20/240269120.db2.gz IRMNFXFLTSUPCM-OTWHNJEPSA-N 2 2 334.460 2.274 10 0 EEAELP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423012577 240330537 /nfs/dbraw/zinc/33/05/37/240330537.db2.gz LAGBLHPZULCGRC-SNRMKQJTSA-N 2 2 333.451 2.151 10 0 EEAELP Fc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000423140965 240380836 /nfs/dbraw/zinc/38/08/36/240380836.db2.gz ZYFJJCIBWKXAAL-GJZGRUSLSA-N 2 2 330.350 2.284 10 0 EEAELP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccnn1C ZINC000426498906 241300425 /nfs/dbraw/zinc/30/04/25/241300425.db2.gz VZEBKMJMVRVKEG-UHFFFAOYSA-N 2 2 331.445 2.316 10 0 EEAELP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccnn1C ZINC000426498906 241300429 /nfs/dbraw/zinc/30/04/29/241300429.db2.gz VZEBKMJMVRVKEG-UHFFFAOYSA-N 2 2 331.445 2.316 10 0 EEAELP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000453055880 243388752 /nfs/dbraw/zinc/38/87/52/243388752.db2.gz BIRUVESOBNPDFS-INIZCTEOSA-N 2 2 342.491 2.291 10 0 EEAELP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000459349164 245086757 /nfs/dbraw/zinc/08/67/57/245086757.db2.gz IATIYEJEJVEAFZ-UHFFFAOYSA-N 2 2 338.455 2.264 10 0 EEAELP Cc1cc(CC(C)C)nc(N2CC[C@@H]([N@@H+]3CCc4[nH+]c[nH]c4C3)C2)n1 ZINC000095362470 218295535 /nfs/dbraw/zinc/29/55/35/218295535.db2.gz XODSBRQCZFMTNE-MRXNPFEDSA-N 2 2 340.475 2.344 10 0 EEAELP Cc1cc(CC(C)C)nc(N2CC[C@@H]([N@H+]3CCc4[nH+]c[nH]c4C3)C2)n1 ZINC000095362470 218295537 /nfs/dbraw/zinc/29/55/37/218295537.db2.gz XODSBRQCZFMTNE-MRXNPFEDSA-N 2 2 340.475 2.344 10 0 EEAELP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000111243012 142353700 /nfs/dbraw/zinc/35/37/00/142353700.db2.gz RSNWSUHBYDRWCB-CYBMUJFWSA-N 2 2 344.381 2.321 10 0 EEAELP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000173337570 152161006 /nfs/dbraw/zinc/16/10/06/152161006.db2.gz XDWYFGDDZZCWFP-KRWDZBQOSA-N 2 2 344.503 2.252 10 0 EEAELP O=C(C[NH2+]CC1CC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000262667260 152303514 /nfs/dbraw/zinc/30/35/14/152303514.db2.gz KRYRIPBFKBSPKF-CQSZACIVSA-N 2 2 337.414 2.045 10 0 EEAELP O=C(C[NH2+]CC1CC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000262667260 152303517 /nfs/dbraw/zinc/30/35/17/152303517.db2.gz KRYRIPBFKBSPKF-CQSZACIVSA-N 2 2 337.414 2.045 10 0 EEAELP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263091771 152373175 /nfs/dbraw/zinc/37/31/75/152373175.db2.gz YMNSPTPGWLUEGS-INIZCTEOSA-N 2 2 337.414 2.012 10 0 EEAELP COCCC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000184970523 292277603 /nfs/dbraw/zinc/27/76/03/292277603.db2.gz MLLFSHNRIPEIBR-UHFFFAOYSA-N 2 2 339.524 2.116 10 0 EEAELP CC1CC[NH+](CCCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377329191 154145468 /nfs/dbraw/zinc/14/54/68/154145468.db2.gz FVLMKEWOQXHYHG-HNNXBMFYSA-N 2 2 333.480 2.078 10 0 EEAELP CC1CC[NH+](CCCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377329191 154145471 /nfs/dbraw/zinc/14/54/71/154145471.db2.gz FVLMKEWOQXHYHG-HNNXBMFYSA-N 2 2 333.480 2.078 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048485297 158939675 /nfs/dbraw/zinc/93/96/75/158939675.db2.gz FZMJCXHGXQKBDV-OAHLLOKOSA-N 2 2 333.480 2.211 10 0 EEAELP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067005065 159006894 /nfs/dbraw/zinc/00/68/94/159006894.db2.gz OEZVBUKWFFSVTN-GOSISDBHSA-N 2 2 341.459 2.237 10 0 EEAELP O=C(NCCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067005065 159006896 /nfs/dbraw/zinc/00/68/96/159006896.db2.gz OEZVBUKWFFSVTN-GOSISDBHSA-N 2 2 341.459 2.237 10 0 EEAELP CC(=O)Nc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079285 159213930 /nfs/dbraw/zinc/21/39/30/159213930.db2.gz YTONOOTVWYUFLW-OAHLLOKOSA-N 2 2 331.460 2.330 10 0 EEAELP CC(=O)Nc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079285 159213932 /nfs/dbraw/zinc/21/39/32/159213932.db2.gz YTONOOTVWYUFLW-OAHLLOKOSA-N 2 2 331.460 2.330 10 0 EEAELP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)n1 ZINC000187334306 160100012 /nfs/dbraw/zinc/10/00/12/160100012.db2.gz ONHLABUIZBOOAW-YOFSQIOKSA-N 2 2 328.504 2.441 10 0 EEAELP Cc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)n1 ZINC000187334306 160100013 /nfs/dbraw/zinc/10/00/13/160100013.db2.gz ONHLABUIZBOOAW-YOFSQIOKSA-N 2 2 328.504 2.441 10 0 EEAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000247431542 160324463 /nfs/dbraw/zinc/32/44/63/160324463.db2.gz IJJCMYILHPTXJO-WMLDXEAASA-N 2 2 328.416 2.413 10 0 EEAELP COc1cccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000247431542 160324464 /nfs/dbraw/zinc/32/44/64/160324464.db2.gz IJJCMYILHPTXJO-WMLDXEAASA-N 2 2 328.416 2.413 10 0 EEAELP COCc1noc([C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000248441394 160346191 /nfs/dbraw/zinc/34/61/91/160346191.db2.gz DQHFIXFXNCEKKS-KGLIPLIRSA-N 2 2 331.420 2.414 10 0 EEAELP COCc1noc([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000248441394 160346192 /nfs/dbraw/zinc/34/61/92/160346192.db2.gz DQHFIXFXNCEKKS-KGLIPLIRSA-N 2 2 331.420 2.414 10 0 EEAELP C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900450 161022678 /nfs/dbraw/zinc/02/26/78/161022678.db2.gz IXTANURZNDUJAH-QUCCMNQESA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900450 161022679 /nfs/dbraw/zinc/02/26/79/161022679.db2.gz IXTANURZNDUJAH-QUCCMNQESA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@]1(C(N)=O)CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341900450 161022680 /nfs/dbraw/zinc/02/26/80/161022680.db2.gz IXTANURZNDUJAH-QUCCMNQESA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@]1(C(N)=O)CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341900450 161022681 /nfs/dbraw/zinc/02/26/81/161022681.db2.gz IXTANURZNDUJAH-QUCCMNQESA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000342816546 161092916 /nfs/dbraw/zinc/09/29/16/161092916.db2.gz WYWHGIAZATZZPK-OQIJWPOYSA-N 2 2 334.504 2.255 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000342816546 161092917 /nfs/dbraw/zinc/09/29/17/161092917.db2.gz WYWHGIAZATZZPK-OQIJWPOYSA-N 2 2 334.504 2.255 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000343081945 161101530 /nfs/dbraw/zinc/10/15/30/161101530.db2.gz PBGHJYXPTWNQJY-UHFFFAOYSA-N 2 2 335.411 2.322 10 0 EEAELP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000343190487 161111795 /nfs/dbraw/zinc/11/17/95/161111795.db2.gz FPIGKQIMHHSTST-TZIWHRDSSA-N 3 2 344.547 2.437 10 0 EEAELP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000343190487 161111796 /nfs/dbraw/zinc/11/17/96/161111796.db2.gz FPIGKQIMHHSTST-TZIWHRDSSA-N 3 2 344.547 2.437 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1OC ZINC000343598096 161150177 /nfs/dbraw/zinc/15/01/77/161150177.db2.gz UQOZCLWWLCLCDC-SJLPKXTDSA-N 3 2 349.519 2.456 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1OC ZINC000343598096 161150178 /nfs/dbraw/zinc/15/01/78/161150178.db2.gz UQOZCLWWLCLCDC-SJLPKXTDSA-N 3 2 349.519 2.456 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000355107092 163083293 /nfs/dbraw/zinc/08/32/93/163083293.db2.gz NYIRXITUIHHQGI-UHFFFAOYSA-N 2 2 331.451 2.200 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)CS(C)(=O)=O ZINC000360339808 164287839 /nfs/dbraw/zinc/28/78/39/164287839.db2.gz VLLKXBFNZKIABW-SOLBZPMBSA-N 2 2 338.517 2.167 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CS(C)(=O)=O ZINC000360339808 164287841 /nfs/dbraw/zinc/28/78/41/164287841.db2.gz VLLKXBFNZKIABW-SOLBZPMBSA-N 2 2 338.517 2.167 10 0 EEAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000368105493 166051910 /nfs/dbraw/zinc/05/19/10/166051910.db2.gz SSKWOIOSJNNUNA-JQWIXIFHSA-N 2 2 337.420 2.160 10 0 EEAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000368105493 166051911 /nfs/dbraw/zinc/05/19/11/166051911.db2.gz SSKWOIOSJNNUNA-JQWIXIFHSA-N 2 2 337.420 2.160 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C2 ZINC000369818980 166337107 /nfs/dbraw/zinc/33/71/07/166337107.db2.gz KQUVORORDXLGCL-UKRRQHHQSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C2 ZINC000369818980 166337111 /nfs/dbraw/zinc/33/71/11/166337111.db2.gz KQUVORORDXLGCL-UKRRQHHQSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)CC2 ZINC000369818980 166337113 /nfs/dbraw/zinc/33/71/13/166337113.db2.gz KQUVORORDXLGCL-UKRRQHHQSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)CC2 ZINC000369818980 166337116 /nfs/dbraw/zinc/33/71/16/166337116.db2.gz KQUVORORDXLGCL-UKRRQHHQSA-N 2 2 330.476 2.405 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](CC(F)(F)F)C3)cn2)CC1 ZINC000278409611 269230079 /nfs/dbraw/zinc/23/00/79/269230079.db2.gz PURWSRMSHBMHBI-ZDUSSCGKSA-N 2 2 343.397 2.003 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](CC(F)(F)F)C3)cn2)CC1 ZINC000278409611 269230080 /nfs/dbraw/zinc/23/00/80/269230080.db2.gz PURWSRMSHBMHBI-ZDUSSCGKSA-N 2 2 343.397 2.003 10 0 EEAELP CC(C)Oc1ccc([C@H](CNC(=O)Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000291516470 275313147 /nfs/dbraw/zinc/31/31/47/275313147.db2.gz RDSSYGUXSKJALZ-KRWDZBQOSA-N 2 2 330.432 2.089 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC000291563790 275317902 /nfs/dbraw/zinc/31/79/02/275317902.db2.gz YFDHWYSARPGJGJ-GOSISDBHSA-N 2 2 344.434 2.497 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1c[nH+]ccc1N ZINC000422887795 278357768 /nfs/dbraw/zinc/35/77/68/278357768.db2.gz ZNGMZQNOSQXLEU-QLFBSQMISA-N 2 2 341.459 2.354 10 0 EEAELP COc1nc(C)cc(C)c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000287431222 293056776 /nfs/dbraw/zinc/05/67/76/293056776.db2.gz UFAJKBRUNOSOHE-GOSISDBHSA-N 2 2 346.519 2.309 10 0 EEAELP COc1nc(C)cc(C)c1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000287431222 293056780 /nfs/dbraw/zinc/05/67/80/293056780.db2.gz UFAJKBRUNOSOHE-GOSISDBHSA-N 2 2 346.519 2.309 10 0 EEAELP COc1cc(OC)cc(N2CCC[N@H+](CCc3c[nH+]cn3C)CC2)c1 ZINC000297963420 294384222 /nfs/dbraw/zinc/38/42/22/294384222.db2.gz WQMCRLVWOXVDHM-UHFFFAOYSA-N 2 2 344.459 2.192 10 0 EEAELP COc1cc(OC)cc(N2CCC[N@@H+](CCc3c[nH+]cn3C)CC2)c1 ZINC000297963420 294384224 /nfs/dbraw/zinc/38/42/24/294384224.db2.gz WQMCRLVWOXVDHM-UHFFFAOYSA-N 2 2 344.459 2.192 10 0 EEAELP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367994189 302186053 /nfs/dbraw/zinc/18/60/53/302186053.db2.gz JGSMGYYWCPFQAW-JXFKEZNVSA-N 2 2 340.471 2.239 10 0 EEAELP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367994189 302186055 /nfs/dbraw/zinc/18/60/55/302186055.db2.gz JGSMGYYWCPFQAW-JXFKEZNVSA-N 2 2 340.471 2.239 10 0 EEAELP [NH3+]CC[NH+]1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 ZINC000262914413 303381545 /nfs/dbraw/zinc/38/15/45/303381545.db2.gz GDELYGBUUNKXIZ-UHFFFAOYSA-N 2 2 347.356 2.253 10 0 EEAELP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000414732131 313071594 /nfs/dbraw/zinc/07/15/94/313071594.db2.gz FZYICRMLIFIZDO-UTUOFQBUSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000414732131 313071597 /nfs/dbraw/zinc/07/15/97/313071597.db2.gz FZYICRMLIFIZDO-UTUOFQBUSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000446000292 315363312 /nfs/dbraw/zinc/36/33/12/315363312.db2.gz BHPMOFBZDNUYTM-QGZVFWFLSA-N 2 2 342.487 2.208 10 0 EEAELP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1c[nH+]cn1Cc1ccccc1 ZINC000446000292 315363316 /nfs/dbraw/zinc/36/33/16/315363316.db2.gz BHPMOFBZDNUYTM-QGZVFWFLSA-N 2 2 342.487 2.208 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)c[nH+]1 ZINC000449359944 315437803 /nfs/dbraw/zinc/43/78/03/315437803.db2.gz SBKJOFVMVKPIPV-INIZCTEOSA-N 2 2 330.453 2.483 10 0 EEAELP C[C@@H](Cc1ccccc1F)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000525857364 317084479 /nfs/dbraw/zinc/08/44/79/317084479.db2.gz JJBOYDCJCJDYRM-YOEHRIQHSA-N 2 2 344.434 2.271 10 0 EEAELP Cc1c[nH+]cn1Cc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000530157223 317692603 /nfs/dbraw/zinc/69/26/03/317692603.db2.gz AXVVSEFCZBUKKI-UHFFFAOYSA-N 2 2 339.399 2.122 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000539749986 318059878 /nfs/dbraw/zinc/05/98/78/318059878.db2.gz IALDOYNTLNMVOV-UHFFFAOYSA-N 2 2 349.438 2.323 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000540880112 318080761 /nfs/dbraw/zinc/08/07/61/318080761.db2.gz NMKDZOSTVZNBQS-UHFFFAOYSA-N 2 2 337.427 2.236 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1n[nH]cc1Br ZINC000541374894 318097927 /nfs/dbraw/zinc/09/79/27/318097927.db2.gz SCTUPOJYNREUAK-UHFFFAOYSA-N 2 2 347.220 2.351 10 0 EEAELP CN(CCC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cc[nH+]cc1 ZINC000543712353 318167323 /nfs/dbraw/zinc/16/73/23/318167323.db2.gz NRTFVOXUERFDHW-UHFFFAOYSA-N 2 2 335.411 2.410 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566243180 319264091 /nfs/dbraw/zinc/26/40/91/319264091.db2.gz ZZEFHGIIIPKYMC-BEFAXECRSA-N 2 2 331.460 2.406 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000566243180 319264092 /nfs/dbraw/zinc/26/40/92/319264092.db2.gz ZZEFHGIIIPKYMC-BEFAXECRSA-N 2 2 331.460 2.406 10 0 EEAELP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[NH+]3CC(C)(C)C3)c2)CC1 ZINC000566447137 319288947 /nfs/dbraw/zinc/28/89/47/319288947.db2.gz OKYSALXMEIEFJC-UHFFFAOYSA-N 2 2 344.503 2.497 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000578111063 320294563 /nfs/dbraw/zinc/29/45/63/320294563.db2.gz PMUPWOQLKWHODX-OXJNMPFZSA-N 2 2 343.471 2.338 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000578111063 320294564 /nfs/dbraw/zinc/29/45/64/320294564.db2.gz PMUPWOQLKWHODX-OXJNMPFZSA-N 2 2 343.471 2.338 10 0 EEAELP CCOC(=O)CCc1cc(NCC2CC[NH+](CC)CC2)nc(C)[nH+]1 ZINC000601106606 449693790 /nfs/dbraw/zinc/69/37/90/449693790.db2.gz RPWTXTBLIXVMRA-UHFFFAOYSA-N 2 2 334.464 2.425 10 0 EEAELP CC(C)[NH2+]C1CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000603494225 450313680 /nfs/dbraw/zinc/31/36/80/450313680.db2.gz GFZTXNZTSVZYER-UHFFFAOYSA-N 2 2 329.448 2.001 10 0 EEAELP CC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000347734740 465196687 /nfs/dbraw/zinc/19/66/87/465196687.db2.gz IBUZJCNKTLKWRE-LJQANCHMSA-N 2 2 345.487 2.009 10 0 EEAELP CC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000347734740 465196689 /nfs/dbraw/zinc/19/66/89/465196689.db2.gz IBUZJCNKTLKWRE-LJQANCHMSA-N 2 2 345.487 2.009 10 0 EEAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358756073 465304086 /nfs/dbraw/zinc/30/40/86/465304086.db2.gz OWJSNJJPOMSUNC-MJGOQNOKSA-N 2 2 339.487 2.085 10 0 EEAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358756073 465304089 /nfs/dbraw/zinc/30/40/89/465304089.db2.gz OWJSNJJPOMSUNC-MJGOQNOKSA-N 2 2 339.487 2.085 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000127707397 462575835 /nfs/dbraw/zinc/57/58/35/462575835.db2.gz KSCHVNVRVVVCFB-QAPCUYQASA-N 2 2 326.444 2.486 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000127707397 462575838 /nfs/dbraw/zinc/57/58/38/462575838.db2.gz KSCHVNVRVVVCFB-QAPCUYQASA-N 2 2 326.444 2.486 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000152922248 462596465 /nfs/dbraw/zinc/59/64/65/462596465.db2.gz ZNJOVNDDZMAHEA-CQSZACIVSA-N 2 2 338.415 2.438 10 0 EEAELP Cc1ccc(CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000154164743 462737105 /nfs/dbraw/zinc/73/71/05/462737105.db2.gz XYTFSIBNYJORDF-JWTNVVGKSA-N 2 2 345.487 2.290 10 0 EEAELP Cc1ccc(CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000154164743 462737110 /nfs/dbraw/zinc/73/71/10/462737110.db2.gz XYTFSIBNYJORDF-JWTNVVGKSA-N 2 2 345.487 2.290 10 0 EEAELP CCN(CC)c1cc(CCC(=O)N2CC[NH+](C(C)C)CC2)cc[nH+]1 ZINC000065270000 462752052 /nfs/dbraw/zinc/75/20/52/462752052.db2.gz CTUOUMCAQSYCGN-UHFFFAOYSA-N 2 2 332.492 2.413 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000048215947 462874366 /nfs/dbraw/zinc/87/43/66/462874366.db2.gz KMFYQYPCTNANAF-QGZVFWFLSA-N 2 2 341.459 2.250 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000579244035 468330944 /nfs/dbraw/zinc/33/09/44/468330944.db2.gz RCBRIGBBLRHLLK-FAKMSMKASA-N 2 2 342.487 2.294 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000579244035 468330949 /nfs/dbraw/zinc/33/09/49/468330949.db2.gz RCBRIGBBLRHLLK-FAKMSMKASA-N 2 2 342.487 2.294 10 0 EEAELP c1cc(C2(C[NH2+][C@@H]3CC[N@@H+](C4CC4)C3)CCOCC2)cc2c1OCO2 ZINC000095420867 463080800 /nfs/dbraw/zinc/08/08/00/463080800.db2.gz WTOFGVJLJAPHTD-MRXNPFEDSA-N 2 2 344.455 2.290 10 0 EEAELP c1cc(C2(C[NH2+][C@@H]3CC[N@H+](C4CC4)C3)CCOCC2)cc2c1OCO2 ZINC000095420867 463080803 /nfs/dbraw/zinc/08/08/03/463080803.db2.gz WTOFGVJLJAPHTD-MRXNPFEDSA-N 2 2 344.455 2.290 10 0 EEAELP COc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000095974247 463120825 /nfs/dbraw/zinc/12/08/25/463120825.db2.gz KZLPCNFGONHEPN-BBWFWOEESA-N 2 2 343.471 2.407 10 0 EEAELP COc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000095974247 463120832 /nfs/dbraw/zinc/12/08/32/463120832.db2.gz KZLPCNFGONHEPN-BBWFWOEESA-N 2 2 343.471 2.407 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@H]3[C@@H]3CCC[N@H+]3C)[nH+]c12 ZINC000069490134 463258348 /nfs/dbraw/zinc/25/83/48/463258348.db2.gz YBTZUQKYJNIOST-IRXDYDNUSA-N 2 2 326.444 2.270 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@H]3[C@@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000069490134 463258354 /nfs/dbraw/zinc/25/83/54/463258354.db2.gz YBTZUQKYJNIOST-IRXDYDNUSA-N 2 2 326.444 2.270 10 0 EEAELP Cc1[nH+]ccn1-c1ccnc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000069662533 463298419 /nfs/dbraw/zinc/29/84/19/463298419.db2.gz ZKIVWOTXKMECNR-INIZCTEOSA-N 2 2 336.399 2.250 10 0 EEAELP CC(C)[NH+]1CCN(c2cccc(NC(=O)Cn3cc[nH+]c3)c2)CC1 ZINC000123163956 463320572 /nfs/dbraw/zinc/32/05/72/463320572.db2.gz GATZATLECHUPJW-UHFFFAOYSA-N 2 2 327.432 2.052 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108547635 463612696 /nfs/dbraw/zinc/61/26/96/463612696.db2.gz JAZCYZAMGOGCIW-CQSZACIVSA-N 2 2 347.850 2.271 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108547635 463612701 /nfs/dbraw/zinc/61/27/01/463612701.db2.gz JAZCYZAMGOGCIW-CQSZACIVSA-N 2 2 347.850 2.271 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152412679 463686938 /nfs/dbraw/zinc/68/69/38/463686938.db2.gz SBIWZBIHXIOXBH-CQSZACIVSA-N 2 2 337.430 2.307 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152412679 463686941 /nfs/dbraw/zinc/68/69/41/463686941.db2.gz SBIWZBIHXIOXBH-CQSZACIVSA-N 2 2 337.430 2.307 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152412679 463686946 /nfs/dbraw/zinc/68/69/46/463686946.db2.gz SBIWZBIHXIOXBH-CQSZACIVSA-N 2 2 337.430 2.307 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152412679 463686951 /nfs/dbraw/zinc/68/69/51/463686951.db2.gz SBIWZBIHXIOXBH-CQSZACIVSA-N 2 2 337.430 2.307 10 0 EEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255145433 463708130 /nfs/dbraw/zinc/70/81/30/463708130.db2.gz MZQWKSOWJVMNDS-AVKJRPAMSA-N 2 2 343.515 2.427 10 0 EEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255145433 463708133 /nfs/dbraw/zinc/70/81/33/463708133.db2.gz MZQWKSOWJVMNDS-AVKJRPAMSA-N 2 2 343.515 2.427 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000178109913 463845750 /nfs/dbraw/zinc/84/57/50/463845750.db2.gz RPGMHHHTQNWSSC-QAPCUYQASA-N 2 2 330.476 2.107 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000178109913 463845755 /nfs/dbraw/zinc/84/57/55/463845755.db2.gz RPGMHHHTQNWSSC-QAPCUYQASA-N 2 2 330.476 2.107 10 0 EEAELP CN(C)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000178109913 463845759 /nfs/dbraw/zinc/84/57/59/463845759.db2.gz RPGMHHHTQNWSSC-QAPCUYQASA-N 2 2 330.476 2.107 10 0 EEAELP CN(C)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000178109913 463845764 /nfs/dbraw/zinc/84/57/64/463845764.db2.gz RPGMHHHTQNWSSC-QAPCUYQASA-N 2 2 330.476 2.107 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000186221569 463955048 /nfs/dbraw/zinc/95/50/48/463955048.db2.gz ILSFPIHLXOGDQR-HNNXBMFYSA-N 2 2 342.434 2.161 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000178750767 463962887 /nfs/dbraw/zinc/96/28/87/463962887.db2.gz CATBZDJHMOBTOB-HNNXBMFYSA-N 2 2 337.427 2.135 10 0 EEAELP C[NH2+]CCc1ccccc1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000262276337 463989802 /nfs/dbraw/zinc/98/98/02/463989802.db2.gz TXYZWJIERBSWAV-UHFFFAOYSA-N 2 2 338.455 2.242 10 0 EEAELP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[N@@H+]1C ZINC000279185941 464056550 /nfs/dbraw/zinc/05/65/50/464056550.db2.gz IXRYBSFVFGTLCF-RDJZCZTQSA-N 2 2 331.460 2.188 10 0 EEAELP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[N@H+]1C ZINC000279185941 464056556 /nfs/dbraw/zinc/05/65/56/464056556.db2.gz IXRYBSFVFGTLCF-RDJZCZTQSA-N 2 2 331.460 2.188 10 0 EEAELP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)no1 ZINC000284002197 464064202 /nfs/dbraw/zinc/06/42/02/464064202.db2.gz JTPMCAFEEKRJTJ-MAUKXSAKSA-N 2 2 328.416 2.347 10 0 EEAELP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)no1 ZINC000284002197 464064207 /nfs/dbraw/zinc/06/42/07/464064207.db2.gz JTPMCAFEEKRJTJ-MAUKXSAKSA-N 2 2 328.416 2.347 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000284020088 464072098 /nfs/dbraw/zinc/07/20/98/464072098.db2.gz NPGXQNVYILUUBH-LULLPPNCSA-N 2 2 334.504 2.397 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000284020088 464072104 /nfs/dbraw/zinc/07/21/04/464072104.db2.gz NPGXQNVYILUUBH-LULLPPNCSA-N 2 2 334.504 2.397 10 0 EEAELP CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@@H](C)c1cccnc1 ZINC000179279896 464096494 /nfs/dbraw/zinc/09/64/94/464096494.db2.gz ZAGKCWFELYBOTI-INIZCTEOSA-N 2 2 347.507 2.200 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000180101480 464242882 /nfs/dbraw/zinc/24/28/82/464242882.db2.gz LORYAIYXEKDPNH-HXUWFJFHSA-N 2 2 349.494 2.361 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000180101480 464242886 /nfs/dbraw/zinc/24/28/86/464242886.db2.gz LORYAIYXEKDPNH-HXUWFJFHSA-N 2 2 349.494 2.361 10 0 EEAELP CCn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)cn1 ZINC000284571786 464247146 /nfs/dbraw/zinc/24/71/46/464247146.db2.gz OYUTVCGVSVTJJK-QFBILLFUSA-N 2 2 342.491 2.342 10 0 EEAELP CCn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)cn1 ZINC000284571786 464247151 /nfs/dbraw/zinc/24/71/51/464247151.db2.gz OYUTVCGVSVTJJK-QFBILLFUSA-N 2 2 342.491 2.342 10 0 EEAELP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000280948983 464276992 /nfs/dbraw/zinc/27/69/92/464276992.db2.gz GUXUYANLQYEZNY-WBVHZDCISA-N 2 2 331.460 2.367 10 0 EEAELP COCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180673649 464366977 /nfs/dbraw/zinc/36/69/77/464366977.db2.gz OAHINNBMMNHWKA-HUUCEWRRSA-N 2 2 330.432 2.064 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246430843 464583313 /nfs/dbraw/zinc/58/33/13/464583313.db2.gz COYMNIXMQRUHIJ-LPHOPBHVSA-N 2 2 329.488 2.233 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246430843 464583317 /nfs/dbraw/zinc/58/33/17/464583317.db2.gz COYMNIXMQRUHIJ-LPHOPBHVSA-N 2 2 329.488 2.233 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246430843 464583325 /nfs/dbraw/zinc/58/33/25/464583325.db2.gz COYMNIXMQRUHIJ-LPHOPBHVSA-N 2 2 329.488 2.233 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246430843 464583330 /nfs/dbraw/zinc/58/33/30/464583330.db2.gz COYMNIXMQRUHIJ-LPHOPBHVSA-N 2 2 329.488 2.233 10 0 EEAELP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439835 464609877 /nfs/dbraw/zinc/60/98/77/464609877.db2.gz SRNXVEFGEONHIV-WOZUAGRISA-N 3 2 343.515 2.228 10 0 EEAELP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439835 464609883 /nfs/dbraw/zinc/60/98/83/464609883.db2.gz SRNXVEFGEONHIV-WOZUAGRISA-N 3 2 343.515 2.228 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3C2)[C@H](C)C1 ZINC000175731592 464612509 /nfs/dbraw/zinc/61/25/09/464612509.db2.gz CIZULMNEBMYPIM-ZBFHGGJFSA-N 2 2 335.517 2.295 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3C2)[C@H](C)C1 ZINC000175731592 464612512 /nfs/dbraw/zinc/61/25/12/464612512.db2.gz CIZULMNEBMYPIM-ZBFHGGJFSA-N 2 2 335.517 2.295 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)[C@H](C)C1 ZINC000175731592 464612515 /nfs/dbraw/zinc/61/25/15/464612515.db2.gz CIZULMNEBMYPIM-ZBFHGGJFSA-N 2 2 335.517 2.295 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)[C@H](C)C1 ZINC000175731592 464612517 /nfs/dbraw/zinc/61/25/17/464612517.db2.gz CIZULMNEBMYPIM-ZBFHGGJFSA-N 2 2 335.517 2.295 10 0 EEAELP CCc1nn(C)c(Cl)c1C[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275413347 464773499 /nfs/dbraw/zinc/77/34/99/464773499.db2.gz DFNCNSZSBFXRCL-NHYWBVRUSA-N 2 2 337.855 2.379 10 0 EEAELP Cc1ccc(NCCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)[nH+]c1 ZINC000177405926 465005929 /nfs/dbraw/zinc/00/59/29/465005929.db2.gz DKDGRIVRWJXZOX-MRXNPFEDSA-N 2 2 342.447 2.263 10 0 EEAELP C[N@H+](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)Cc1ccccc1 ZINC000177440975 465015699 /nfs/dbraw/zinc/01/56/99/465015699.db2.gz QKYQNSRANLQWSY-GOSISDBHSA-N 2 2 341.459 2.189 10 0 EEAELP C[N@@H+](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)Cc1ccccc1 ZINC000177440975 465015703 /nfs/dbraw/zinc/01/57/03/465015703.db2.gz QKYQNSRANLQWSY-GOSISDBHSA-N 2 2 341.459 2.189 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000339566378 465354362 /nfs/dbraw/zinc/35/43/62/465354362.db2.gz JYOHDPURXLQCIJ-DLBZAZTESA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000339566378 465354367 /nfs/dbraw/zinc/35/43/67/465354367.db2.gz JYOHDPURXLQCIJ-DLBZAZTESA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000339566378 465354373 /nfs/dbraw/zinc/35/43/73/465354373.db2.gz JYOHDPURXLQCIJ-DLBZAZTESA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](C)[C@H]3C)CC2)cc1 ZINC000339566378 465354378 /nfs/dbraw/zinc/35/43/78/465354378.db2.gz JYOHDPURXLQCIJ-DLBZAZTESA-N 2 2 345.487 2.070 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)C2 ZINC000359496345 465413265 /nfs/dbraw/zinc/41/32/65/465413265.db2.gz UINRFSVHGUIMMC-CYBMUJFWSA-N 2 2 344.463 2.035 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)CC2 ZINC000359496345 465413270 /nfs/dbraw/zinc/41/32/70/465413270.db2.gz UINRFSVHGUIMMC-CYBMUJFWSA-N 2 2 344.463 2.035 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000343191513 465487000 /nfs/dbraw/zinc/48/70/00/465487000.db2.gz HAESICFTFDJCGV-TVKQPGBESA-N 3 2 331.504 2.336 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000343191513 465487007 /nfs/dbraw/zinc/48/70/07/465487007.db2.gz HAESICFTFDJCGV-TVKQPGBESA-N 3 2 331.504 2.336 10 0 EEAELP COc1cc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc(OC)c1O ZINC000348283170 465530337 /nfs/dbraw/zinc/53/03/37/465530337.db2.gz BHUMDTXBQNHNIB-UHFFFAOYSA-N 2 2 343.427 2.435 10 0 EEAELP Cc1[nH+]ccn1CC[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000356923588 465631864 /nfs/dbraw/zinc/63/18/64/465631864.db2.gz LHCDOSGYWDQSAC-QGZVFWFLSA-N 2 2 330.476 2.306 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC000371702502 465951478 /nfs/dbraw/zinc/95/14/78/465951478.db2.gz YVNIMQDRFVDVAA-INIZCTEOSA-N 2 2 345.422 2.159 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000338295211 465992239 /nfs/dbraw/zinc/99/22/39/465992239.db2.gz GYYBKKPDEZBVKV-UHFFFAOYSA-N 2 2 333.480 2.211 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000338295211 465992245 /nfs/dbraw/zinc/99/22/45/465992245.db2.gz GYYBKKPDEZBVKV-UHFFFAOYSA-N 2 2 333.480 2.211 10 0 EEAELP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000597173737 468470967 /nfs/dbraw/zinc/47/09/67/468470967.db2.gz PJQVCVNMOOBWRP-HNNXBMFYSA-N 2 2 336.480 2.025 10 0 EEAELP COC(=O)CCn1nc(C)c(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000597173737 468470969 /nfs/dbraw/zinc/47/09/69/468470969.db2.gz PJQVCVNMOOBWRP-HNNXBMFYSA-N 2 2 336.480 2.025 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3cccc4cc[nH]c43)CC2)cc[nH+]1 ZINC000353748346 466116897 /nfs/dbraw/zinc/11/68/97/466116897.db2.gz IBOSGNSADSWVRJ-UHFFFAOYSA-N 2 2 336.443 2.346 10 0 EEAELP Cc1cc(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000569447382 468490843 /nfs/dbraw/zinc/49/08/43/468490843.db2.gz GAZNQSGRBGZQEF-GOSISDBHSA-N 2 2 346.475 2.095 10 0 EEAELP CC[C@H](N[C@@H]1C[N@H+](C)C[C@@H]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000361981877 466457802 /nfs/dbraw/zinc/45/78/02/466457802.db2.gz PJACDJLUILSOHQ-IJXRJRJASA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000361981877 466457808 /nfs/dbraw/zinc/45/78/08/466457808.db2.gz PJACDJLUILSOHQ-IJXRJRJASA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[NH+](C)C[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000361981877 466457815 /nfs/dbraw/zinc/45/78/15/466457815.db2.gz PJACDJLUILSOHQ-IJXRJRJASA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[NH+](C)C[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000361981877 466457819 /nfs/dbraw/zinc/45/78/19/466457819.db2.gz PJACDJLUILSOHQ-IJXRJRJASA-N 2 2 331.504 2.206 10 0 EEAELP CCOC(=O)COCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310550897 466516348 /nfs/dbraw/zinc/51/63/48/466516348.db2.gz WLVOMBDUEWBIJB-UHFFFAOYSA-N 2 2 334.460 2.163 10 0 EEAELP CCOC(=O)COCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310550897 466516356 /nfs/dbraw/zinc/51/63/56/466516356.db2.gz WLVOMBDUEWBIJB-UHFFFAOYSA-N 2 2 334.460 2.163 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358188064 466525027 /nfs/dbraw/zinc/52/50/27/466525027.db2.gz KSKUZLGXSITFDV-LIEJCIORSA-N 2 2 327.472 2.106 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358188064 466525036 /nfs/dbraw/zinc/52/50/36/466525036.db2.gz KSKUZLGXSITFDV-LIEJCIORSA-N 2 2 327.472 2.106 10 0 EEAELP C[NH+]1CCC(CNC(=O)C2CCSCC2)([NH+]2CCCCC2)CC1 ZINC000363662600 466542825 /nfs/dbraw/zinc/54/28/25/466542825.db2.gz OHWJGKDNMLXMFM-UHFFFAOYSA-N 2 2 339.549 2.196 10 0 EEAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000354525641 466629713 /nfs/dbraw/zinc/62/97/13/466629713.db2.gz KEFLGARYQHXEJL-OAHLLOKOSA-N 2 2 328.460 2.447 10 0 EEAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000354525641 466629716 /nfs/dbraw/zinc/62/97/16/466629716.db2.gz KEFLGARYQHXEJL-OAHLLOKOSA-N 2 2 328.460 2.447 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(C)(CO)CC1 ZINC000408516404 466672782 /nfs/dbraw/zinc/67/27/82/466672782.db2.gz YXBKUDJPEGFNDD-CQSZACIVSA-N 2 2 342.443 2.498 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCC(F)(F)C2)([NH+]2CCCCC2)CC1 ZINC000365411520 466810741 /nfs/dbraw/zinc/81/07/41/466810741.db2.gz CPQIXBRAEXLODG-OAHLLOKOSA-N 2 2 343.462 2.488 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c(C)[nH+]1 ZINC000411502697 466836831 /nfs/dbraw/zinc/83/68/31/466836831.db2.gz USIDNWVYDSKCBK-UHFFFAOYSA-N 2 2 344.459 2.078 10 0 EEAELP Cc1c[nH+]cn1C1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000365992040 467017026 /nfs/dbraw/zinc/01/70/26/467017026.db2.gz WTMNODCFJMNRME-UHFFFAOYSA-N 2 2 336.399 2.250 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004304 467018825 /nfs/dbraw/zinc/01/88/25/467018825.db2.gz YVHFPAIAPUMSSO-WKPIXPDZSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004304 467018829 /nfs/dbraw/zinc/01/88/29/467018829.db2.gz YVHFPAIAPUMSSO-WKPIXPDZSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000370835742 467020443 /nfs/dbraw/zinc/02/04/43/467020443.db2.gz UWTFAODCAAHUCN-RDJZCZTQSA-N 2 2 347.507 2.134 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000370835742 467020447 /nfs/dbraw/zinc/02/04/47/467020447.db2.gz UWTFAODCAAHUCN-RDJZCZTQSA-N 2 2 347.507 2.134 10 0 EEAELP [NH3+]CCC[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000418239433 467082706 /nfs/dbraw/zinc/08/27/06/467082706.db2.gz OWENHBQHORHSTG-GJZGRUSLSA-N 2 2 327.432 2.046 10 0 EEAELP [NH3+]CCC[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000418239433 467082708 /nfs/dbraw/zinc/08/27/08/467082708.db2.gz OWENHBQHORHSTG-GJZGRUSLSA-N 2 2 327.432 2.046 10 0 EEAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000418604649 467134915 /nfs/dbraw/zinc/13/49/15/467134915.db2.gz XWNXVTYPQUMZEV-DOTOQJQBSA-N 2 2 341.459 2.071 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418729946 467151692 /nfs/dbraw/zinc/15/16/92/467151692.db2.gz RPVIJLSZVYMGAY-HUUCEWRRSA-N 2 2 333.480 2.065 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000378104427 467198709 /nfs/dbraw/zinc/19/87/09/467198709.db2.gz VWMFRXHMOPCDRX-RHSMWYFYSA-N 2 2 345.422 2.008 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000378104427 467198715 /nfs/dbraw/zinc/19/87/15/467198715.db2.gz VWMFRXHMOPCDRX-RHSMWYFYSA-N 2 2 345.422 2.008 10 0 EEAELP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000429531721 467343142 /nfs/dbraw/zinc/34/31/42/467343142.db2.gz WJNOHBAJMCSAPU-UONOGXRCSA-N 2 2 335.414 2.203 10 0 EEAELP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000429531721 467343145 /nfs/dbraw/zinc/34/31/45/467343145.db2.gz WJNOHBAJMCSAPU-UONOGXRCSA-N 2 2 335.414 2.203 10 0 EEAELP c1nc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000433784430 467353651 /nfs/dbraw/zinc/35/36/51/467353651.db2.gz VZCQHTANNGDGDT-QGZVFWFLSA-N 2 2 345.491 2.158 10 0 EEAELP c1nc(N2CCCC2)cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000433784430 467353656 /nfs/dbraw/zinc/35/36/56/467353656.db2.gz VZCQHTANNGDGDT-QGZVFWFLSA-N 2 2 345.491 2.158 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420376409 467384028 /nfs/dbraw/zinc/38/40/28/467384028.db2.gz OZDMQRAGVBGNTO-IBGZPJMESA-N 2 2 333.451 2.250 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420376409 467384031 /nfs/dbraw/zinc/38/40/31/467384031.db2.gz OZDMQRAGVBGNTO-IBGZPJMESA-N 2 2 333.451 2.250 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420382387 467387491 /nfs/dbraw/zinc/38/74/91/467387491.db2.gz SCYQHGTVCNNIEV-KXBFYZLASA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420382387 467387497 /nfs/dbraw/zinc/38/74/97/467387497.db2.gz SCYQHGTVCNNIEV-KXBFYZLASA-N 2 2 333.451 2.421 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390142 467391776 /nfs/dbraw/zinc/39/17/76/467391776.db2.gz YAKWPUZMEUTHHP-YLJYHZDGSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390142 467391777 /nfs/dbraw/zinc/39/17/77/467391777.db2.gz YAKWPUZMEUTHHP-YLJYHZDGSA-N 2 2 329.488 2.417 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)c2[nH+]ccn21 ZINC000456375854 467710291 /nfs/dbraw/zinc/71/02/91/467710291.db2.gz KIOXGSZKFAGNOF-DZGCQCFKSA-N 2 2 328.416 2.259 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000528934794 467781817 /nfs/dbraw/zinc/78/18/17/467781817.db2.gz UKFKFKMTWUMOKW-RDJZCZTQSA-N 2 2 334.370 2.031 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000528934794 467781821 /nfs/dbraw/zinc/78/18/21/467781821.db2.gz UKFKFKMTWUMOKW-RDJZCZTQSA-N 2 2 334.370 2.031 10 0 EEAELP C[NH+]1CCC(CNC(=O)N2CC[C@@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000458483529 467843973 /nfs/dbraw/zinc/84/39/73/467843973.db2.gz TYKUCEWVHLTIOB-QGZVFWFLSA-N 2 2 334.508 2.131 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)NCC2(C3CCC3)CCC2)CC1 ZINC000458597651 467865027 /nfs/dbraw/zinc/86/50/27/467865027.db2.gz PJXTXDBWDXGHRD-UHFFFAOYSA-N 2 2 336.524 2.282 10 0 EEAELP CC(C)c1nnc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000450626659 467881984 /nfs/dbraw/zinc/88/19/84/467881984.db2.gz HFKJIKYTXJOGHX-UHFFFAOYSA-N 2 2 325.526 2.119 10 0 EEAELP CC(C)c1nnc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000450626659 467881987 /nfs/dbraw/zinc/88/19/87/467881987.db2.gz HFKJIKYTXJOGHX-UHFFFAOYSA-N 2 2 325.526 2.119 10 0 EEAELP CN1CC[NH+](Cc2cccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)c2)CC1 ZINC000514732463 467951709 /nfs/dbraw/zinc/95/17/09/467951709.db2.gz JJGCLJORWYDKJK-SFHVURJKSA-N 2 2 344.503 2.151 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530218438 467964758 /nfs/dbraw/zinc/96/47/58/467964758.db2.gz WDMTXRDXBCGGSL-ROUUACIJSA-N 2 2 341.459 2.292 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000532966602 468156190 /nfs/dbraw/zinc/15/61/90/468156190.db2.gz FQMFPPXBCVKMBC-PDRSHUBSSA-N 2 2 345.531 2.489 10 0 EEAELP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000532966602 468156192 /nfs/dbraw/zinc/15/61/92/468156192.db2.gz FQMFPPXBCVKMBC-PDRSHUBSSA-N 2 2 345.531 2.489 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567653779 468176775 /nfs/dbraw/zinc/17/67/75/468176775.db2.gz VRMYRGBEKKNBMJ-HOCLYGCPSA-N 2 2 339.842 2.470 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567653779 468176779 /nfs/dbraw/zinc/17/67/79/468176779.db2.gz VRMYRGBEKKNBMJ-HOCLYGCPSA-N 2 2 339.842 2.470 10 0 EEAELP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)C1 ZINC000578508330 468209719 /nfs/dbraw/zinc/20/97/19/468209719.db2.gz LWUUORSAPGJODK-CVEARBPZSA-N 2 2 334.464 2.446 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000582242013 468511712 /nfs/dbraw/zinc/51/17/12/468511712.db2.gz UFNHFDCQTCEYAE-LJQANCHMSA-N 2 2 344.459 2.027 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000582242013 468511717 /nfs/dbraw/zinc/51/17/17/468511717.db2.gz UFNHFDCQTCEYAE-LJQANCHMSA-N 2 2 344.459 2.027 10 0 EEAELP CSC1(C[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000582468806 468542887 /nfs/dbraw/zinc/54/28/87/468542887.db2.gz NFIUMYGHUIFWOY-INIZCTEOSA-N 2 2 349.479 2.450 10 0 EEAELP CSC1(C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000582468806 468542891 /nfs/dbraw/zinc/54/28/91/468542891.db2.gz NFIUMYGHUIFWOY-INIZCTEOSA-N 2 2 349.479 2.450 10 0 EEAELP CSC1(C[NH2+][C@H](c2c[nH]nn2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000582468806 468542894 /nfs/dbraw/zinc/54/28/94/468542894.db2.gz NFIUMYGHUIFWOY-INIZCTEOSA-N 2 2 349.479 2.450 10 0 EEAELP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000557339431 468626590 /nfs/dbraw/zinc/62/65/90/468626590.db2.gz SHGZNANYNLGVDD-RDJZCZTQSA-N 2 2 334.464 2.446 10 0 EEAELP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000557339430 468626932 /nfs/dbraw/zinc/62/69/32/468626932.db2.gz SHGZNANYNLGVDD-NVXWUHKLSA-N 2 2 334.464 2.446 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000600773386 468653187 /nfs/dbraw/zinc/65/31/87/468653187.db2.gz HLNDBXWLUXABEP-UONOGXRCSA-N 2 2 332.400 2.458 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCc1ccc(Cl)cc1 ZINC000583263402 468671027 /nfs/dbraw/zinc/67/10/27/468671027.db2.gz GXEYNQFYENXMPS-GOSISDBHSA-N 2 2 335.879 2.074 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCc1ccc(Cl)cc1 ZINC000583263402 468671030 /nfs/dbraw/zinc/67/10/30/468671030.db2.gz GXEYNQFYENXMPS-GOSISDBHSA-N 2 2 335.879 2.074 10 0 EEAELP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000594942698 468728260 /nfs/dbraw/zinc/72/82/60/468728260.db2.gz ZGLBVQUBSLPRKS-YESZJQIVSA-N 2 2 338.492 2.056 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000595003319 468741875 /nfs/dbraw/zinc/74/18/75/468741875.db2.gz GZYBOFJERCTDGT-JKSUJKDBSA-N 2 2 328.497 2.301 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000595003319 468741878 /nfs/dbraw/zinc/74/18/78/468741878.db2.gz GZYBOFJERCTDGT-JKSUJKDBSA-N 2 2 328.497 2.301 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000595005013 468742289 /nfs/dbraw/zinc/74/22/89/468742289.db2.gz WRPNSAIBEHOSKD-ARFHVFGLSA-N 2 2 328.497 2.443 10 0 EEAELP CCOC(=O)c1c(C)n[nH]c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000595290610 468801164 /nfs/dbraw/zinc/80/11/64/468801164.db2.gz MYJSCXZYZKWDGF-UHFFFAOYSA-N 2 2 334.464 2.203 10 0 EEAELP c1c[nH]c([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)n1 ZINC000572112118 468886118 /nfs/dbraw/zinc/88/61/18/468886118.db2.gz FVJCVQOAXAUPPX-ACBHZAAOSA-N 2 2 339.487 2.305 10 0 EEAELP Cc1c(C[NH+](C)[C@H](C)CC[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000584878920 468953935 /nfs/dbraw/zinc/95/39/35/468953935.db2.gz GXMROZJEQJOFSM-CQSZACIVSA-N 2 2 332.496 2.113 10 0 EEAELP Cc1c(C[NH+](C)[C@H](C)CC[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000584878920 468953940 /nfs/dbraw/zinc/95/39/40/468953940.db2.gz GXMROZJEQJOFSM-CQSZACIVSA-N 2 2 332.496 2.113 10 0 EEAELP Cc1c(C[NH+](C)CC[C@@H](C)[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000584878920 468953945 /nfs/dbraw/zinc/95/39/45/468953945.db2.gz GXMROZJEQJOFSM-CQSZACIVSA-N 2 2 332.496 2.113 10 0 EEAELP Cc1c(C[NH+](C)CC[C@@H](C)[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000584878920 468953948 /nfs/dbraw/zinc/95/39/48/468953948.db2.gz GXMROZJEQJOFSM-CQSZACIVSA-N 2 2 332.496 2.113 10 0 EEAELP CC(C)OC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595863881 469052574 /nfs/dbraw/zinc/05/25/74/469052574.db2.gz PWGFEEWXWZHZGE-IBGZPJMESA-N 2 2 346.471 2.283 10 0 EEAELP CC(C)OC(=O)c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595863881 469052580 /nfs/dbraw/zinc/05/25/80/469052580.db2.gz PWGFEEWXWZHZGE-IBGZPJMESA-N 2 2 346.471 2.283 10 0 EEAELP CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000599335557 469215313 /nfs/dbraw/zinc/21/53/13/469215313.db2.gz WVGOHIJGFDJMJX-HNNXBMFYSA-N 2 2 336.480 2.299 10 0 EEAELP C[N@H+](CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCSC1 ZINC000563332768 469229284 /nfs/dbraw/zinc/22/92/84/469229284.db2.gz FDIPXIHJCKRCHG-BZUAXINKSA-N 2 2 348.516 2.358 10 0 EEAELP C[N@@H+](CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCSC1 ZINC000563332768 469229291 /nfs/dbraw/zinc/22/92/91/469229291.db2.gz FDIPXIHJCKRCHG-BZUAXINKSA-N 2 2 348.516 2.358 10 0 EEAELP C[NH2+]CCOCCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000625860407 469414137 /nfs/dbraw/zinc/41/41/37/469414137.db2.gz BDNATJTXUDKSDP-UHFFFAOYSA-N 2 2 330.388 2.231 10 0 EEAELP C[NH2+]CCOCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000629391968 469529515 /nfs/dbraw/zinc/52/95/15/469529515.db2.gz GLJFCFMNMCCXRI-UHFFFAOYSA-N 3 2 325.884 2.130 10 0 EEAELP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607391333 469687828 /nfs/dbraw/zinc/68/78/28/469687828.db2.gz YWDFVWQOCVOGLF-NQIIRXRSSA-N 2 2 342.483 2.362 10 0 EEAELP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607391333 469687831 /nfs/dbraw/zinc/68/78/31/469687831.db2.gz YWDFVWQOCVOGLF-NQIIRXRSSA-N 2 2 342.483 2.362 10 0 EEAELP C[C@@H](O)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000607391333 469687834 /nfs/dbraw/zinc/68/78/34/469687834.db2.gz YWDFVWQOCVOGLF-NQIIRXRSSA-N 2 2 342.483 2.362 10 0 EEAELP C[C@@H](O)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000607391333 469687837 /nfs/dbraw/zinc/68/78/37/469687837.db2.gz YWDFVWQOCVOGLF-NQIIRXRSSA-N 2 2 342.483 2.362 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)CC2 ZINC000623660009 469725764 /nfs/dbraw/zinc/72/57/64/469725764.db2.gz XRIJQJNHMGIDTR-MRXNPFEDSA-N 2 2 349.438 2.315 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)c[nH+]2)CC1 ZINC000626931482 469759075 /nfs/dbraw/zinc/75/90/75/469759075.db2.gz GNRBVAMJZNGUOZ-WBVHZDCISA-N 2 2 345.491 2.258 10 0 EEAELP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000627004521 469786705 /nfs/dbraw/zinc/78/67/05/469786705.db2.gz LULNZCWVHQGPGN-CABCVRRESA-N 2 2 342.846 2.215 10 0 EEAELP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000627004521 469786707 /nfs/dbraw/zinc/78/67/07/469786707.db2.gz LULNZCWVHQGPGN-CABCVRRESA-N 2 2 342.846 2.215 10 0 EEAELP C[C@H](Cn1ccc2ccccc21)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764183 469795790 /nfs/dbraw/zinc/79/57/90/469795790.db2.gz LZIXKEWDVAANGI-QGZVFWFLSA-N 2 2 344.503 2.277 10 0 EEAELP C[C@H](Cn1ccc2ccccc21)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764183 469795794 /nfs/dbraw/zinc/79/57/94/469795794.db2.gz LZIXKEWDVAANGI-QGZVFWFLSA-N 2 2 344.503 2.277 10 0 EEAELP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000617763340 469796275 /nfs/dbraw/zinc/79/62/75/469796275.db2.gz NSTSVGVINSGYFP-CQSZACIVSA-N 2 2 325.884 2.443 10 0 EEAELP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000617763340 469796278 /nfs/dbraw/zinc/79/62/78/469796278.db2.gz NSTSVGVINSGYFP-CQSZACIVSA-N 2 2 325.884 2.443 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000617766446 469797426 /nfs/dbraw/zinc/79/74/26/469797426.db2.gz KUABOWAETJMXNU-FQEVSTJZSA-N 2 2 331.504 2.181 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000617766446 469797431 /nfs/dbraw/zinc/79/74/31/469797431.db2.gz KUABOWAETJMXNU-FQEVSTJZSA-N 2 2 331.504 2.181 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000617767216 469799354 /nfs/dbraw/zinc/79/93/54/469799354.db2.gz KXMARBWZXDYKKE-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000617767216 469799355 /nfs/dbraw/zinc/79/93/55/469799355.db2.gz KXMARBWZXDYKKE-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP C[C@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000624051779 469826354 /nfs/dbraw/zinc/82/63/54/469826354.db2.gz NGXHVWXRHMGPLD-WMLDXEAASA-N 2 2 339.443 2.128 10 0 EEAELP C[C@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000624051779 469826355 /nfs/dbraw/zinc/82/63/55/469826355.db2.gz NGXHVWXRHMGPLD-WMLDXEAASA-N 2 2 339.443 2.128 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000608712994 469866512 /nfs/dbraw/zinc/86/65/12/469866512.db2.gz WIXJJFQFLHQRSL-QGZVFWFLSA-N 2 2 333.480 2.352 10 0 EEAELP CCO[C@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000627794934 469999608 /nfs/dbraw/zinc/99/96/08/469999608.db2.gz YKMQXUYIFCJQII-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP CCO[C@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000627794934 469999610 /nfs/dbraw/zinc/99/96/10/469999610.db2.gz YKMQXUYIFCJQII-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000624912703 470044151 /nfs/dbraw/zinc/04/41/51/470044151.db2.gz SQOGQZSWXOEWDD-UHFFFAOYSA-N 2 2 330.457 2.379 10 0 EEAELP CN(C(=O)c1coc(C(F)F)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625501180 470156271 /nfs/dbraw/zinc/15/62/71/470156271.db2.gz DSAZSHQSZADIDH-AWEZNQCLSA-N 2 2 341.402 2.458 10 0 EEAELP CN(C(=O)c1coc(C(F)F)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625501180 470156272 /nfs/dbraw/zinc/15/62/72/470156272.db2.gz DSAZSHQSZADIDH-AWEZNQCLSA-N 2 2 341.402 2.458 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634708917 470283286 /nfs/dbraw/zinc/28/32/86/470283286.db2.gz AXWUOHMMQKSMDC-XPGWFJOJSA-N 2 2 347.503 2.109 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000648728295 470327589 /nfs/dbraw/zinc/32/75/89/470327589.db2.gz YFKQVKZTMXHIPL-CQSZACIVSA-N 2 2 329.448 2.288 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000648839014 470365527 /nfs/dbraw/zinc/36/55/27/470365527.db2.gz GSOZSEYIPDENHZ-CABCVRRESA-N 2 2 327.432 2.187 10 0 EEAELP CSc1ccc(NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104643 470528039 /nfs/dbraw/zinc/52/80/39/470528039.db2.gz JKIQNNGPDRJHSX-UHFFFAOYSA-N 2 2 349.500 2.144 10 0 EEAELP CSc1ccc(NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104643 470528045 /nfs/dbraw/zinc/52/80/45/470528045.db2.gz JKIQNNGPDRJHSX-UHFFFAOYSA-N 2 2 349.500 2.144 10 0 EEAELP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000649306742 470539345 /nfs/dbraw/zinc/53/93/45/470539345.db2.gz LZENJMXXHLAFFC-NXHRZFHOSA-N 2 2 338.455 2.106 10 0 EEAELP Cc1c(C[N@H+](C)CC(=O)N2CC[NH+](C)CC2)oc2c1cccc2C ZINC000649818769 470707862 /nfs/dbraw/zinc/70/78/62/470707862.db2.gz AEZWRBRSRTZLFZ-UHFFFAOYSA-N 2 2 329.444 2.255 10 0 EEAELP Cc1c(C[N@@H+](C)CC(=O)N2CC[NH+](C)CC2)oc2c1cccc2C ZINC000649818769 470707864 /nfs/dbraw/zinc/70/78/64/470707864.db2.gz AEZWRBRSRTZLFZ-UHFFFAOYSA-N 2 2 329.444 2.255 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2n(n1)CCCC2 ZINC000647290085 470877439 /nfs/dbraw/zinc/87/74/39/470877439.db2.gz WBWAZODZQQVWFX-CVEARBPZSA-N 2 2 332.492 2.371 10 0 EEAELP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647631061 470943072 /nfs/dbraw/zinc/94/30/72/470943072.db2.gz DYUWQMRINTZWBY-MSOLQXFVSA-N 2 2 342.418 2.190 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899374 471010264 /nfs/dbraw/zinc/01/02/64/471010264.db2.gz IWTSZVAAWCHLOW-DOTOQJQBSA-N 2 2 335.879 2.420 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899374 471010269 /nfs/dbraw/zinc/01/02/69/471010269.db2.gz IWTSZVAAWCHLOW-DOTOQJQBSA-N 2 2 335.879 2.420 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647899745 471010889 /nfs/dbraw/zinc/01/08/89/471010889.db2.gz UVJWJLDFFVQUPP-HKUYNNGSSA-N 2 2 345.487 2.118 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647899745 471010892 /nfs/dbraw/zinc/01/08/92/471010892.db2.gz UVJWJLDFFVQUPP-HKUYNNGSSA-N 2 2 345.487 2.118 10 0 EEAELP COc1nsc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000638358656 471056464 /nfs/dbraw/zinc/05/64/64/471056464.db2.gz ILCFOFDIOJKGRZ-VIFPVBQESA-N 2 2 346.294 2.488 10 0 EEAELP COc1nsc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000638358656 471056466 /nfs/dbraw/zinc/05/64/66/471056466.db2.gz ILCFOFDIOJKGRZ-VIFPVBQESA-N 2 2 346.294 2.488 10 0 EEAELP O=C(C[C@H]1CC[NH2+]C1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000648169517 471108939 /nfs/dbraw/zinc/10/89/39/471108939.db2.gz RMEZRANBVGBYCK-QGZVFWFLSA-N 2 2 338.455 2.010 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)[C@@H](C)C1 ZINC000657363457 471114411 /nfs/dbraw/zinc/11/44/11/471114411.db2.gz OQUPYEWGRTXHOG-MAUKXSAKSA-N 2 2 335.496 2.230 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)[C@@H](C)C1 ZINC000657363457 471114416 /nfs/dbraw/zinc/11/44/16/471114416.db2.gz OQUPYEWGRTXHOG-MAUKXSAKSA-N 2 2 335.496 2.230 10 0 EEAELP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CCO1 ZINC000657802400 471236326 /nfs/dbraw/zinc/23/63/26/471236326.db2.gz ZSVHMXXFAZEMEH-SLFFLAALSA-N 2 2 331.504 2.350 10 0 EEAELP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCO1 ZINC000657802400 471236328 /nfs/dbraw/zinc/23/63/28/471236328.db2.gz ZSVHMXXFAZEMEH-SLFFLAALSA-N 2 2 331.504 2.350 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000652290171 471267924 /nfs/dbraw/zinc/26/79/24/471267924.db2.gz RJOAOCVNHGCEEX-GOSISDBHSA-N 2 2 340.427 2.164 10 0 EEAELP C[C@H](c1cccc(NC(=O)NCCC2(C[NH3+])CC2)c1)[NH+]1CCOCC1 ZINC000652576282 471309657 /nfs/dbraw/zinc/30/96/57/471309657.db2.gz GCMYFDMPWAVDNP-OAHLLOKOSA-N 2 2 346.475 2.330 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@@H+]3CCO[C@@H](C)C3)c2cc1OC ZINC000663518935 471409606 /nfs/dbraw/zinc/40/96/06/471409606.db2.gz ZDSPQBKTAXTLTN-ZDUSSCGKSA-N 2 2 331.416 2.385 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@H+]3CCO[C@@H](C)C3)c2cc1OC ZINC000663518935 471409613 /nfs/dbraw/zinc/40/96/13/471409613.db2.gz ZDSPQBKTAXTLTN-ZDUSSCGKSA-N 2 2 331.416 2.385 10 0 EEAELP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000663557796 471425215 /nfs/dbraw/zinc/42/52/15/471425215.db2.gz ZHGRFQPIRAAHKO-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663557796 471425220 /nfs/dbraw/zinc/42/52/20/471425220.db2.gz ZHGRFQPIRAAHKO-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP Cn1ccc2cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c21 ZINC000666857473 471564159 /nfs/dbraw/zinc/56/41/59/471564159.db2.gz XKSKOXWRQICTSV-UHFFFAOYSA-N 2 2 331.464 2.183 10 0 EEAELP Cn1ccc2cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c21 ZINC000666857473 471564161 /nfs/dbraw/zinc/56/41/61/471564161.db2.gz XKSKOXWRQICTSV-UHFFFAOYSA-N 2 2 331.464 2.183 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3C[C@@H](C)C(=O)[C@H](C)C3)c2cc1C ZINC000661551097 471801838 /nfs/dbraw/zinc/80/18/38/471801838.db2.gz GKLIKLRTGOHOGL-OAGGEKHMSA-N 2 2 329.444 2.171 10 0 EEAELP OC1(C(F)(F)F)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667948751 471959350 /nfs/dbraw/zinc/95/93/50/471959350.db2.gz LMEPIECFRWHMGV-UHFFFAOYSA-N 2 2 326.322 2.157 10 0 EEAELP Cc1cccn2c(NC(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)c[nH+]c12 ZINC000667956031 471962442 /nfs/dbraw/zinc/96/24/42/471962442.db2.gz SCRAWYKPUZQAQG-OAHLLOKOSA-N 2 2 345.447 2.265 10 0 EEAELP Cc1cccn2c(NC(=O)NCCC[N@H+]3CCCO[C@H](C)C3)c[nH+]c12 ZINC000667956031 471962450 /nfs/dbraw/zinc/96/24/50/471962450.db2.gz SCRAWYKPUZQAQG-OAHLLOKOSA-N 2 2 345.447 2.265 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662097773 471984923 /nfs/dbraw/zinc/98/49/23/471984923.db2.gz SGCRSNYOAFOPJF-GOEBONIOSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662097773 471984927 /nfs/dbraw/zinc/98/49/27/471984927.db2.gz SGCRSNYOAFOPJF-GOEBONIOSA-N 2 2 327.432 2.055 10 0 EEAELP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368297 472022484 /nfs/dbraw/zinc/02/24/84/472022484.db2.gz WXPSERKJFBTDGE-ZCNNSNEGSA-N 2 2 341.499 2.417 10 0 EEAELP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368297 472022486 /nfs/dbraw/zinc/02/24/86/472022486.db2.gz WXPSERKJFBTDGE-ZCNNSNEGSA-N 2 2 341.499 2.417 10 0 EEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318891 472067856 /nfs/dbraw/zinc/06/78/56/472067856.db2.gz AJIBBNVVGKBWBA-KURKYZTESA-N 2 2 339.524 2.066 10 0 EEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318891 472067860 /nfs/dbraw/zinc/06/78/60/472067860.db2.gz AJIBBNVVGKBWBA-KURKYZTESA-N 2 2 339.524 2.066 10 0 EEAELP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319619 472068544 /nfs/dbraw/zinc/06/85/44/472068544.db2.gz PAQSWTWQHGKFBP-IAGOWNOFSA-N 2 2 333.476 2.365 10 0 EEAELP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319619 472068547 /nfs/dbraw/zinc/06/85/47/472068547.db2.gz PAQSWTWQHGKFBP-IAGOWNOFSA-N 2 2 333.476 2.365 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662513015 472135902 /nfs/dbraw/zinc/13/59/02/472135902.db2.gz VTGFTHSQAICFSQ-COLVAYQJSA-N 2 2 327.831 2.339 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662513015 472135906 /nfs/dbraw/zinc/13/59/06/472135906.db2.gz VTGFTHSQAICFSQ-COLVAYQJSA-N 2 2 327.831 2.339 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](Cc2ccccc2-c2ccnn2C)CC1 ZINC000668793286 472271256 /nfs/dbraw/zinc/27/12/56/472271256.db2.gz WBINZPGLPZKJKU-UHFFFAOYSA-N 2 2 336.443 2.143 10 0 EEAELP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cn1cccn1 ZINC000666122482 472313203 /nfs/dbraw/zinc/31/32/03/472313203.db2.gz PXKWMHONSMAVHY-SFHVURJKSA-N 2 2 348.878 2.152 10 0 EEAELP CC1(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000683436498 485527369 /nfs/dbraw/zinc/52/73/69/485527369.db2.gz WWRZRJPWQSHOGE-INIZCTEOSA-N 2 2 345.491 2.062 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282785374 485546930 /nfs/dbraw/zinc/54/69/30/485546930.db2.gz MSAURRAOOJRIAU-AWEZNQCLSA-N 2 2 327.432 2.281 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864648 485559225 /nfs/dbraw/zinc/55/92/25/485559225.db2.gz PEAUDTSLVJTYRE-UHFFFAOYSA-N 2 2 339.403 2.442 10 0 EEAELP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629545758 485731551 /nfs/dbraw/zinc/73/15/51/485731551.db2.gz PJDQGMHZRGUIHH-JKIFEVAISA-N 2 2 339.505 2.118 10 0 EEAELP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cccc21 ZINC000684089793 485757828 /nfs/dbraw/zinc/75/78/28/485757828.db2.gz RWUPRVXVIRFLIA-XJKSGUPXSA-N 2 2 340.427 2.469 10 0 EEAELP CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1C ZINC000671626327 485954704 /nfs/dbraw/zinc/95/47/04/485954704.db2.gz UNQPUXDXCCMHLB-CABCVRRESA-N 2 2 341.459 2.430 10 0 EEAELP CC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1C ZINC000671626327 485954709 /nfs/dbraw/zinc/95/47/09/485954709.db2.gz UNQPUXDXCCMHLB-CABCVRRESA-N 2 2 341.459 2.430 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000676153970 486155635 /nfs/dbraw/zinc/15/56/35/486155635.db2.gz IQTJRNCTUDIOEH-KGLIPLIRSA-N 2 2 344.450 2.032 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000676153970 486155638 /nfs/dbraw/zinc/15/56/38/486155638.db2.gz IQTJRNCTUDIOEH-KGLIPLIRSA-N 2 2 344.450 2.032 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC1(O)CCCCCC1 ZINC000681709044 486310799 /nfs/dbraw/zinc/31/07/99/486310799.db2.gz RGEVRGBZOZRIFC-LJQANCHMSA-N 2 2 334.504 2.496 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)CC1(O)CCCCCC1 ZINC000681709044 486310804 /nfs/dbraw/zinc/31/08/04/486310804.db2.gz RGEVRGBZOZRIFC-LJQANCHMSA-N 2 2 334.504 2.496 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)CC1(O)CCCCCC1 ZINC000681709044 486310808 /nfs/dbraw/zinc/31/08/08/486310808.db2.gz RGEVRGBZOZRIFC-LJQANCHMSA-N 2 2 334.504 2.496 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CC1(O)CCCCCC1 ZINC000681709044 486310812 /nfs/dbraw/zinc/31/08/12/486310812.db2.gz RGEVRGBZOZRIFC-LJQANCHMSA-N 2 2 334.504 2.496 10 0 EEAELP CS(=O)(=O)Nc1cccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000678220890 486593364 /nfs/dbraw/zinc/59/33/64/486593364.db2.gz VYSKSITXBODQRO-UHFFFAOYSA-N 2 2 334.445 2.161 10 0 EEAELP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(-c3c[nH]c[nH+]3)cc1)CC2 ZINC000633526270 490709704 /nfs/dbraw/zinc/70/97/04/490709704.db2.gz XYPVBBAHGSTXLP-MRXNPFEDSA-N 2 2 335.411 2.460 10 0 EEAELP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422691903 535608965 /nfs/dbraw/zinc/60/89/65/535608965.db2.gz JCNBGVMZJNMSKR-WOJBJXKFSA-N 3 2 331.504 2.385 10 0 EEAELP COc1ccccc1N1CCC([NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)CC1 ZINC000422838267 537062052 /nfs/dbraw/zinc/06/20/52/537062052.db2.gz NXJQHWXWGCNLIZ-RDJZCZTQSA-N 2 2 333.476 2.021 10 0 EEAELP CC[NH+](CC)CC1CC[NH+](CN2C(=O)c3ccccc3C2=O)CC1 ZINC000738072039 577998349 /nfs/dbraw/zinc/99/83/49/577998349.db2.gz YBZNJNONVZSPGK-UHFFFAOYSA-N 2 2 329.444 2.294 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000299738406 564150493 /nfs/dbraw/zinc/15/04/93/564150493.db2.gz AJBLQHNHCWYUOX-OGHNNQOOSA-N 2 2 337.414 2.173 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000299738406 564150494 /nfs/dbraw/zinc/15/04/94/564150494.db2.gz AJBLQHNHCWYUOX-OGHNNQOOSA-N 2 2 337.414 2.173 10 0 EEAELP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000753366929 577785878 /nfs/dbraw/zinc/78/58/78/577785878.db2.gz FPPTYQHNMPKHIF-CABCVRRESA-N 2 2 330.457 2.158 10 0 EEAELP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000753366929 577785879 /nfs/dbraw/zinc/78/58/79/577785879.db2.gz FPPTYQHNMPKHIF-CABCVRRESA-N 2 2 330.457 2.158 10 0 EEAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1Br ZINC000925685223 684887346 /nfs/dbraw/zinc/88/73/46/684887346.db2.gz KYGARWWLPZEENO-KGLIPLIRSA-N 2 2 325.250 2.357 10 0 EEAELP Cc1cccc(Cl)c1C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001485538115 1191827333 /nfs/dbraw/zinc/82/73/33/1191827333.db2.gz DCLRKVBDRIFCJH-CQSZACIVSA-N 2 2 346.862 2.482 10 0 EEAELP C[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001485622117 1191866155 /nfs/dbraw/zinc/86/61/55/1191866155.db2.gz DHYJHIPYDAKONP-UDTPNQRGSA-N 2 2 338.455 2.018 10 0 EEAELP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]cn3C)[C@@H]2C1 ZINC001485622117 1191866156 /nfs/dbraw/zinc/86/61/56/1191866156.db2.gz DHYJHIPYDAKONP-UDTPNQRGSA-N 2 2 338.455 2.018 10 0 EEAELP CO[C@@H](C)C[NH2+][C@H](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001485785972 1191951766 /nfs/dbraw/zinc/95/17/66/1191951766.db2.gz QFTHTWSFLNUVST-DOTOQJQBSA-N 2 2 346.475 2.412 10 0 EEAELP C[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001480866494 1176143382 /nfs/dbraw/zinc/14/33/82/1176143382.db2.gz DYQRJMPQYXZCFH-IXDOHACOSA-N 2 2 344.503 2.246 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001480866494 1176143393 /nfs/dbraw/zinc/14/33/93/1176143393.db2.gz DYQRJMPQYXZCFH-IXDOHACOSA-N 2 2 344.503 2.246 10 0 EEAELP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266602262 1176928516 /nfs/dbraw/zinc/92/85/16/1176928516.db2.gz ZJKYREIPBHNGRR-ANWGSAMYSA-N 2 2 330.476 2.429 10 0 EEAELP COCCCC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691142622 1177633635 /nfs/dbraw/zinc/63/36/35/1177633635.db2.gz AXHSUKFKNGQAFV-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP COCCCC[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691142622 1177633637 /nfs/dbraw/zinc/63/36/37/1177633637.db2.gz AXHSUKFKNGQAFV-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CCOCC1CC1)c1c[nH+]c[nH]1 ZINC001266881220 1177696622 /nfs/dbraw/zinc/69/66/22/1177696622.db2.gz TYDKNUQVVGFJCW-MRXNPFEDSA-N 2 2 348.491 2.085 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CC[C@@H]3CCCCO3)ccn12 ZINC001691319539 1177904828 /nfs/dbraw/zinc/90/48/28/1177904828.db2.gz MPXRGVHQVKVXFN-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)[C@H](C[NH2+]CCC2CC2)C1 ZINC001691360682 1177962961 /nfs/dbraw/zinc/96/29/61/1177962961.db2.gz ILDFYVNXVGQAFC-NXHRZFHOSA-N 2 2 344.503 2.462 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CC1CC(C)(C)C1 ZINC001480983412 1179423037 /nfs/dbraw/zinc/42/30/37/1179423037.db2.gz AFUVQQNWNUKVCW-INIZCTEOSA-N 2 2 332.492 2.320 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CC1CC(C)(C)C1 ZINC001480983412 1179423041 /nfs/dbraw/zinc/42/30/41/1179423041.db2.gz AFUVQQNWNUKVCW-INIZCTEOSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267657585 1180116002 /nfs/dbraw/zinc/11/60/02/1180116002.db2.gz AEGZFFKCPMFLBV-SJORKVTESA-N 2 2 330.476 2.192 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267657585 1180116007 /nfs/dbraw/zinc/11/60/07/1180116007.db2.gz AEGZFFKCPMFLBV-SJORKVTESA-N 2 2 330.476 2.192 10 0 EEAELP C[NH+](C)CCCCC(=O)NCC1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001267697182 1180199248 /nfs/dbraw/zinc/19/92/48/1180199248.db2.gz FNYIOKIWOLQTCK-UHFFFAOYSA-N 2 2 338.883 2.015 10 0 EEAELP C[NH+](C)CCCCC(=O)NCC1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001481656031 1182141702 /nfs/dbraw/zinc/14/17/02/1182141702.db2.gz LEFAAZWJBVMPQJ-UHFFFAOYSA-N 2 2 339.430 2.245 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481703104 1182244169 /nfs/dbraw/zinc/24/41/69/1182244169.db2.gz NFMGRRQLLWFEBX-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481703104 1182244174 /nfs/dbraw/zinc/24/41/74/1182244174.db2.gz NFMGRRQLLWFEBX-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268365218 1182338059 /nfs/dbraw/zinc/33/80/59/1182338059.db2.gz DCGIEMVNACJJSU-PLCSAJQBSA-N 2 2 339.871 2.027 10 0 EEAELP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268365218 1182338062 /nfs/dbraw/zinc/33/80/62/1182338062.db2.gz DCGIEMVNACJJSU-PLCSAJQBSA-N 2 2 339.871 2.027 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1)c1ccc2c(c1)CCC2 ZINC001268606457 1183512528 /nfs/dbraw/zinc/51/25/28/1183512528.db2.gz FHNGYMLSEOLABQ-FAAWYNLUSA-N 2 2 338.455 2.464 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268650051 1183577857 /nfs/dbraw/zinc/57/78/57/1183577857.db2.gz WUTNSSOTJBLOGP-DJIMGWMZSA-N 2 2 326.444 2.240 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268650051 1183577859 /nfs/dbraw/zinc/57/78/59/1183577859.db2.gz WUTNSSOTJBLOGP-DJIMGWMZSA-N 2 2 326.444 2.240 10 0 EEAELP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001268843126 1183760601 /nfs/dbraw/zinc/76/06/01/1183760601.db2.gz DMAACZQHBPOJRU-BDUNBXCCSA-N 2 2 330.476 2.240 10 0 EEAELP CCc1onc(C)c1C[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001268914493 1183823026 /nfs/dbraw/zinc/82/30/26/1183823026.db2.gz BPFTWCJMNAEQGX-UHFFFAOYSA-N 2 2 347.463 2.184 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2ncccc2c1 ZINC001269514768 1184336432 /nfs/dbraw/zinc/33/64/32/1184336432.db2.gz BHHXBEYAPIPQCN-QGZVFWFLSA-N 2 2 337.427 2.116 10 0 EEAELP O=C(NCc1ccc(C[NH2+]CCCF)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC001270064939 1184822827 /nfs/dbraw/zinc/82/28/27/1184822827.db2.gz BFXMHCHYHSLVOC-KRWDZBQOSA-N 2 2 344.434 2.211 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001691506094 1184848414 /nfs/dbraw/zinc/84/84/14/1184848414.db2.gz FHURHJQFEIWPKK-SRMUPAJBSA-N 2 2 330.476 2.286 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001482358630 1185506634 /nfs/dbraw/zinc/50/66/34/1185506634.db2.gz QKUBMMONKATHNR-KGLIPLIRSA-N 2 2 344.459 2.467 10 0 EEAELP C[C@H](C[NH2+]CCC[C@@H]1CCOC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271037099 1185831496 /nfs/dbraw/zinc/83/14/96/1185831496.db2.gz ZITZQACYCIKUOO-HZPDHXFCSA-N 2 2 344.459 2.201 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001271503636 1186274859 /nfs/dbraw/zinc/27/48/59/1186274859.db2.gz AQVCIZPGDUGHMJ-DLBZAZTESA-N 2 2 339.524 2.114 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001271503636 1186274867 /nfs/dbraw/zinc/27/48/67/1186274867.db2.gz AQVCIZPGDUGHMJ-DLBZAZTESA-N 2 2 339.524 2.114 10 0 EEAELP COCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001271705739 1186385342 /nfs/dbraw/zinc/38/53/42/1186385342.db2.gz QWCVLOIZUPHTMI-WMLDXEAASA-N 2 2 344.459 2.119 10 0 EEAELP C/C(=C\C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1)C1CC1 ZINC001271905496 1186608301 /nfs/dbraw/zinc/60/83/01/1186608301.db2.gz RMXBCIHPQRZIJW-NWKYLOPISA-N 2 2 349.519 2.080 10 0 EEAELP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001482657594 1187494367 /nfs/dbraw/zinc/49/43/67/1187494367.db2.gz AHXAIPPDXUWHFW-DLBZAZTESA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001482657594 1187494371 /nfs/dbraw/zinc/49/43/71/1187494371.db2.gz AHXAIPPDXUWHFW-DLBZAZTESA-N 2 2 332.492 2.466 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]Cc2ccccc2)c[nH+]1 ZINC001483021198 1188009809 /nfs/dbraw/zinc/00/98/09/1188009809.db2.gz ATPGATBNXXCLKD-FPLPWBNLSA-N 2 2 326.444 2.389 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001483077187 1188436971 /nfs/dbraw/zinc/43/69/71/1188436971.db2.gz HUCLYOSKSTWYKP-AORQRIRUSA-N 2 2 326.391 2.040 10 0 EEAELP C[C@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CCc1ccccc1F ZINC001409345101 1189555160 /nfs/dbraw/zinc/55/51/60/1189555160.db2.gz AYNLGZKCXDLNKG-GJZGRUSLSA-N 2 2 346.450 2.217 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC1CCOCC1)n1cc[nH+]c1 ZINC001483392524 1190436401 /nfs/dbraw/zinc/43/64/01/1190436401.db2.gz ZNAAEAYJPQUVKO-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCC1CCOCC1)n1cc[nH+]c1 ZINC001483392524 1190436404 /nfs/dbraw/zinc/43/64/04/1190436404.db2.gz ZNAAEAYJPQUVKO-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483393250 1190437870 /nfs/dbraw/zinc/43/78/70/1190437870.db2.gz OOBOWHKPCJCHGF-ZBFHGGJFSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483393250 1190437872 /nfs/dbraw/zinc/43/78/72/1190437872.db2.gz OOBOWHKPCJCHGF-ZBFHGGJFSA-N 2 2 336.480 2.184 10 0 EEAELP CCCC[NH2+]C[C@@H](NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001483594959 1190578845 /nfs/dbraw/zinc/57/88/45/1190578845.db2.gz MGWZNNHZBMGJIX-QGZVFWFLSA-N 2 2 328.460 2.470 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CC[C@H]1CCCC1(F)F)C1CC1 ZINC001483597129 1190581802 /nfs/dbraw/zinc/58/18/02/1190581802.db2.gz VRJLCEVCCBMHCP-KGLIPLIRSA-N 2 2 340.418 2.262 10 0 EEAELP Cc1ncsc1C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001409781919 1190607095 /nfs/dbraw/zinc/60/70/95/1190607095.db2.gz MMNOGGKQRWXGJL-UHFFFAOYSA-N 2 2 347.488 2.326 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001272320713 1190759920 /nfs/dbraw/zinc/75/99/20/1190759920.db2.gz CMBWRATUNISVCL-SJORKVTESA-N 2 2 348.491 2.034 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001483810377 1191054913 /nfs/dbraw/zinc/05/49/13/1191054913.db2.gz BBJPFXKDBVTVFF-NXHRZFHOSA-N 2 2 348.491 2.080 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001483810377 1191054918 /nfs/dbraw/zinc/05/49/18/1191054918.db2.gz BBJPFXKDBVTVFF-NXHRZFHOSA-N 2 2 348.491 2.080 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001483810377 1191054923 /nfs/dbraw/zinc/05/49/23/1191054923.db2.gz BBJPFXKDBVTVFF-NXHRZFHOSA-N 2 2 348.491 2.080 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001483810377 1191054926 /nfs/dbraw/zinc/05/49/26/1191054926.db2.gz BBJPFXKDBVTVFF-NXHRZFHOSA-N 2 2 348.491 2.080 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001483952207 1191129618 /nfs/dbraw/zinc/12/96/18/1191129618.db2.gz HAPBZNVGLATHKY-ZETNRXDVSA-N 2 2 338.455 2.257 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCCCc1ccccc1 ZINC001483957544 1191130967 /nfs/dbraw/zinc/13/09/67/1191130967.db2.gz INIFEZAFDCHZMK-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP CCCC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCOCC1 ZINC001484182396 1191259396 /nfs/dbraw/zinc/25/93/96/1191259396.db2.gz UKHFFDJDDXTTFJ-UHFFFAOYSA-N 2 2 344.459 2.311 10 0 EEAELP CCC[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)c1ccccc1CC ZINC001484323296 1191304627 /nfs/dbraw/zinc/30/46/27/1191304627.db2.gz NCBSFAATELHOFX-SFHVURJKSA-N 2 2 328.460 2.382 10 0 EEAELP CC(=O)NCC[NH+]1CCC([NH2+]Cc2cccc(C(F)F)c2)CC1 ZINC001484415608 1191342065 /nfs/dbraw/zinc/34/20/65/1191342065.db2.gz JTFUQLGQGJSWPV-UHFFFAOYSA-N 2 2 325.403 2.314 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn2cc[nH+]c2C)cs1 ZINC001485199456 1191682903 /nfs/dbraw/zinc/68/29/03/1191682903.db2.gz PCDOTXJKHFQADD-QWHCGFSZSA-N 2 2 349.504 2.420 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2C)cs1 ZINC001485199457 1191682983 /nfs/dbraw/zinc/68/29/83/1191682983.db2.gz PCDOTXJKHFQADD-STQMWFEESA-N 2 2 349.504 2.420 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001485216009 1191688874 /nfs/dbraw/zinc/68/88/74/1191688874.db2.gz LESDQHZHHYXDSV-ZIAGYGMSSA-N 2 2 343.475 2.010 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001485214965 1191696585 /nfs/dbraw/zinc/69/65/85/1191696585.db2.gz GPUVDIWMBXYBJD-VXGBXAGGSA-N 2 2 348.422 2.091 10 0 EEAELP Cc1cccc(C[NH2+]CC(C)(C)CN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001485265892 1191711228 /nfs/dbraw/zinc/71/12/28/1191711228.db2.gz ODUIBJAHCMNIGY-UHFFFAOYSA-N 2 2 328.460 2.466 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC(C)(C)C[NH2+]Cc1nc(C)c(C)o1 ZINC001485256781 1191713560 /nfs/dbraw/zinc/71/35/60/1191713560.db2.gz WUIPTBPEZMIMSI-UHFFFAOYSA-N 2 2 347.463 2.071 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)Cc1cccc(F)c1 ZINC001485319383 1191733365 /nfs/dbraw/zinc/73/33/65/1191733365.db2.gz HUUVZVUNSIRAGQ-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)Cc1cccc(F)c1 ZINC001485319383 1191733367 /nfs/dbraw/zinc/73/33/67/1191733367.db2.gz HUUVZVUNSIRAGQ-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001486285345 1193792196 /nfs/dbraw/zinc/79/21/96/1193792196.db2.gz NTUQWJVSDOHUNO-HNNXBMFYSA-N 2 2 332.448 2.022 10 0 EEAELP CCCCC[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001486335765 1193830729 /nfs/dbraw/zinc/83/07/29/1193830729.db2.gz VVGGFGKPAIPRTF-QGZVFWFLSA-N 2 2 346.475 2.198 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001486335765 1193830732 /nfs/dbraw/zinc/83/07/32/1193830732.db2.gz VVGGFGKPAIPRTF-QGZVFWFLSA-N 2 2 346.475 2.198 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001486449798 1193964282 /nfs/dbraw/zinc/96/42/82/1193964282.db2.gz QOCIDJSHEMTCMF-INIZCTEOSA-N 2 2 340.471 2.380 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](Cc2nccs2)CC1 ZINC001486510743 1194028455 /nfs/dbraw/zinc/02/84/55/1194028455.db2.gz QWLCVDVQIOZVHW-INIZCTEOSA-N 2 2 348.516 2.266 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](Cc2nccs2)CC1 ZINC001486510743 1194028459 /nfs/dbraw/zinc/02/84/59/1194028459.db2.gz QWLCVDVQIOZVHW-INIZCTEOSA-N 2 2 348.516 2.266 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001486510743 1194028462 /nfs/dbraw/zinc/02/84/62/1194028462.db2.gz QWLCVDVQIOZVHW-INIZCTEOSA-N 2 2 348.516 2.266 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001486510743 1194028467 /nfs/dbraw/zinc/02/84/67/1194028467.db2.gz QWLCVDVQIOZVHW-INIZCTEOSA-N 2 2 348.516 2.266 10 0 EEAELP Cc1cccc(C)c1C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001409966503 1194693753 /nfs/dbraw/zinc/69/37/53/1194693753.db2.gz ICHTUKHGNHQCDH-MRXNPFEDSA-N 2 2 326.444 2.137 10 0 EEAELP CCc1ccc(C[NH+]2CC([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001409980451 1196130515 /nfs/dbraw/zinc/13/05/15/1196130515.db2.gz VOJMMRRZKRRYPH-OAHLLOKOSA-N 2 2 326.444 2.082 10 0 EEAELP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001691673590 1197470774 /nfs/dbraw/zinc/47/07/74/1197470774.db2.gz YYXYKBUOOCNKNS-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cccc(CCC[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCC2)c1 ZINC001273209513 1197553930 /nfs/dbraw/zinc/55/39/30/1197553930.db2.gz YPTHIIVCOCEZFB-UHFFFAOYSA-N 2 2 340.471 2.453 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H](C[NH2+]Cc1cncs1)C1CC1)n1cc[nH+]c1 ZINC001410308421 1197670817 /nfs/dbraw/zinc/67/08/17/1197670817.db2.gz JAOSEIGPKWUOAY-XJKSGUPXSA-N 2 2 347.488 2.318 10 0 EEAELP Cc1nocc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001410317805 1197696909 /nfs/dbraw/zinc/69/69/09/1197696909.db2.gz YUCHFDCBASHCGR-SUMWQHHRSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1nocc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001410317791 1197697047 /nfs/dbraw/zinc/69/70/47/1197697047.db2.gz YUCHFDCBASHCGR-DYVFJYSZSA-N 2 2 345.447 2.157 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865572252 1198281082 /nfs/dbraw/zinc/28/10/82/1198281082.db2.gz WMBPGQSOWZZTFB-UHFFFAOYSA-N 2 2 329.448 2.233 10 0 EEAELP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001410992082 1198670048 /nfs/dbraw/zinc/67/00/48/1198670048.db2.gz VBSOAQBKWQMCRC-MLGOLLRUSA-N 2 2 330.432 2.038 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000825808255 1199359797 /nfs/dbraw/zinc/35/97/97/1199359797.db2.gz SVSIIFJFQAKQQN-UHFFFAOYSA-N 2 2 325.407 2.103 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000825808255 1199359802 /nfs/dbraw/zinc/35/98/02/1199359802.db2.gz SVSIIFJFQAKQQN-UHFFFAOYSA-N 2 2 325.407 2.103 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000810707943 1199688248 /nfs/dbraw/zinc/68/82/48/1199688248.db2.gz GUGDSGQIVFSLED-CRAIPNDOSA-N 2 2 335.423 2.274 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000810707943 1199688249 /nfs/dbraw/zinc/68/82/49/1199688249.db2.gz GUGDSGQIVFSLED-CRAIPNDOSA-N 2 2 335.423 2.274 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000870979542 1200987495 /nfs/dbraw/zinc/98/74/95/1200987495.db2.gz OGCVAZGSYIVBAA-HXUWFJFHSA-N 2 2 335.451 2.291 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000870979542 1200987503 /nfs/dbraw/zinc/98/75/03/1200987503.db2.gz OGCVAZGSYIVBAA-HXUWFJFHSA-N 2 2 335.451 2.291 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866340604 1201496105 /nfs/dbraw/zinc/49/61/05/1201496105.db2.gz SUSJIGXSMVXGIH-VQTJNVASSA-N 2 2 325.456 2.412 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866340604 1201496106 /nfs/dbraw/zinc/49/61/06/1201496106.db2.gz SUSJIGXSMVXGIH-VQTJNVASSA-N 2 2 325.456 2.412 10 0 EEAELP C[C@H](F)CC[NH2+]C/C=C\CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001274235843 1204970352 /nfs/dbraw/zinc/97/03/52/1204970352.db2.gz JCGAQFYJBHRHGY-GWQWAINWSA-N 2 2 330.407 2.496 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001275422752 1205353471 /nfs/dbraw/zinc/35/34/71/1205353471.db2.gz YSNBWUIDSWEDFU-LBPRGKRZSA-N 2 2 334.851 2.251 10 0 EEAELP CC(C)c1nsc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000930115484 1206535459 /nfs/dbraw/zinc/53/54/59/1206535459.db2.gz UQPLLPDSSPHVPJ-UHFFFAOYSA-N 2 2 325.526 2.119 10 0 EEAELP CC(C)c1nsc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000930115484 1206535461 /nfs/dbraw/zinc/53/54/61/1206535461.db2.gz UQPLLPDSSPHVPJ-UHFFFAOYSA-N 2 2 325.526 2.119 10 0 EEAELP CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902879833 1238827499 /nfs/dbraw/zinc/82/74/99/1238827499.db2.gz ZMQZUBGWZDWDJD-GOEBONIOSA-N 2 2 327.432 2.327 10 0 EEAELP C[N@H+](CCOc1cccc(Cl)c1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903876258 1242275799 /nfs/dbraw/zinc/27/57/99/1242275799.db2.gz GGWUIZWKDWOBLE-OAHLLOKOSA-N 2 2 349.866 2.367 10 0 EEAELP C[N@@H+](CCOc1cccc(Cl)c1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903876258 1242275806 /nfs/dbraw/zinc/27/58/06/1242275806.db2.gz GGWUIZWKDWOBLE-OAHLLOKOSA-N 2 2 349.866 2.367 10 0 EEAELP C[C@H](CC(=O)N1CCC[C@@H](C[NH2+]CCOC2CCC2)C1)n1cc[nH+]c1 ZINC001491172976 1258742942 /nfs/dbraw/zinc/74/29/42/1258742942.db2.gz DMPKWKGYZWJCBQ-SJORKVTESA-N 2 2 348.491 2.232 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C\Cl)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001491355621 1258989104 /nfs/dbraw/zinc/98/91/04/1258989104.db2.gz HANYVJMHKZGZON-VTFAGLKKSA-N 2 2 336.867 2.215 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]CCc2cccs2)c[nH+]1 ZINC001491493867 1259143900 /nfs/dbraw/zinc/14/39/00/1259143900.db2.gz AFKUNXOVCUPLMQ-ZDUSSCGKSA-N 2 2 334.489 2.325 10 0 EEAELP C[N@H+](CCOC1CCC1)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001489326304 1290509892 /nfs/dbraw/zinc/50/98/92/1290509892.db2.gz QOHCHDZIKOKPAB-KRWDZBQOSA-N 2 2 348.491 2.155 10 0 EEAELP C[N@@H+](CCOC1CCC1)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001489326304 1290509898 /nfs/dbraw/zinc/50/98/98/1290509898.db2.gz QOHCHDZIKOKPAB-KRWDZBQOSA-N 2 2 348.491 2.155 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001490722072 1291606610 /nfs/dbraw/zinc/60/66/10/1291606610.db2.gz HZYYIWKUYMKXNH-MLGOLLRUSA-N 2 2 332.473 2.334 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001490722072 1291606619 /nfs/dbraw/zinc/60/66/19/1291606619.db2.gz HZYYIWKUYMKXNH-MLGOLLRUSA-N 2 2 332.473 2.334 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH2+]CC=C(Cl)Cl)C1CC1 ZINC001490725661 1291609946 /nfs/dbraw/zinc/60/99/46/1291609946.db2.gz ZUMGRKJHDGPACK-GXFFZTMASA-N 2 2 345.274 2.392 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnns3)C2)ccn1 ZINC000856584028 1293571331 /nfs/dbraw/zinc/57/13/31/1293571331.db2.gz CHDUFCXMHQSXHZ-OAHLLOKOSA-N 2 2 333.461 2.038 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnns3)C2)ccn1 ZINC000856584028 1293571339 /nfs/dbraw/zinc/57/13/39/1293571339.db2.gz CHDUFCXMHQSXHZ-OAHLLOKOSA-N 2 2 333.461 2.038 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnns3)C2)ccn1 ZINC000856584028 1293571348 /nfs/dbraw/zinc/57/13/48/1293571348.db2.gz CHDUFCXMHQSXHZ-OAHLLOKOSA-N 2 2 333.461 2.038 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnns3)C2)ccn1 ZINC000856584028 1293571352 /nfs/dbraw/zinc/57/13/52/1293571352.db2.gz CHDUFCXMHQSXHZ-OAHLLOKOSA-N 2 2 333.461 2.038 10 0 EEAELP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000858580109 1294159252 /nfs/dbraw/zinc/15/92/52/1294159252.db2.gz KVGILUHRZWXUGP-HOTGVXAUSA-N 2 2 333.476 2.080 10 0 EEAELP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)Nc1cccnn1 ZINC000929264020 1297068360 /nfs/dbraw/zinc/06/83/60/1297068360.db2.gz PTHKIQSZWFDFSG-UHFFFAOYSA-N 2 2 331.464 2.003 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCCCF ZINC001277940276 1305207567 /nfs/dbraw/zinc/20/75/67/1305207567.db2.gz GXFNMTXHXVZFEA-ARFHVFGLSA-N 2 2 336.455 2.244 10 0 EEAELP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000843062359 1315832491 /nfs/dbraw/zinc/83/24/91/1315832491.db2.gz OPKOSTZYNNDEKV-CTNGQTDRSA-N 2 2 340.467 2.037 10 0 EEAELP Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000843062359 1315832493 /nfs/dbraw/zinc/83/24/93/1315832493.db2.gz OPKOSTZYNNDEKV-CTNGQTDRSA-N 2 2 340.467 2.037 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)[C@H](C[NH2+]CCCCCF)C1 ZINC001264004870 1322582228 /nfs/dbraw/zinc/58/22/28/1322582228.db2.gz IMBCTNAVFYXEFT-WBVHZDCISA-N 2 2 338.471 2.319 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001264406839 1322693158 /nfs/dbraw/zinc/69/31/58/1322693158.db2.gz MGMMWCBCFOCSFZ-WOVMCDHWSA-N 2 2 344.434 2.209 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC(F)(F)F ZINC001264565792 1322733593 /nfs/dbraw/zinc/73/35/93/1322733593.db2.gz UTCBLGFYAPKVCF-YPMHNXCESA-N 2 2 346.397 2.430 10 0 EEAELP COCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001264745741 1322800769 /nfs/dbraw/zinc/80/07/69/1322800769.db2.gz RTQXWMYSYLGVIV-INIZCTEOSA-N 2 2 336.480 2.000 10 0 EEAELP COCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001264745741 1322800771 /nfs/dbraw/zinc/80/07/71/1322800771.db2.gz RTQXWMYSYLGVIV-INIZCTEOSA-N 2 2 336.480 2.000 10 0 EEAELP CCCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001264750372 1322804639 /nfs/dbraw/zinc/80/46/39/1322804639.db2.gz YLHUJWYGMNINGF-UHFFFAOYSA-N 2 2 347.488 2.273 10 0 EEAELP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265226701 1322995897 /nfs/dbraw/zinc/99/58/97/1322995897.db2.gz IQUVWXFTKWZCMJ-DLBZAZTESA-N 2 2 336.480 2.230 10 0 EEAELP CC(C)OCCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265226701 1322995902 /nfs/dbraw/zinc/99/59/02/1322995902.db2.gz IQUVWXFTKWZCMJ-DLBZAZTESA-N 2 2 336.480 2.230 10 0 EEAELP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265485120 1323177991 /nfs/dbraw/zinc/17/79/91/1323177991.db2.gz YFXNLESTFBUCEG-ANWGSAMYSA-N 2 2 330.476 2.429 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001265626183 1323277481 /nfs/dbraw/zinc/27/74/81/1323277481.db2.gz PQZCAQICXHLDOZ-MSEQUDFZSA-N 2 2 338.455 2.494 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)C[C@@H]3CC[C@H](C)O3)ccn12 ZINC001265846250 1323421083 /nfs/dbraw/zinc/42/10/83/1323421083.db2.gz YXIJUYMBGJZVEH-RDJZCZTQSA-N 2 2 344.459 2.262 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)C[C@@H]3CC[C@H](C)O3)ccn12 ZINC001265846250 1323421088 /nfs/dbraw/zinc/42/10/88/1323421088.db2.gz YXIJUYMBGJZVEH-RDJZCZTQSA-N 2 2 344.459 2.262 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001266015634 1323566951 /nfs/dbraw/zinc/56/69/51/1323566951.db2.gz IBOKZAXYZXCUSZ-ARFHVFGLSA-N 2 2 332.492 2.398 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[C@H](C)[NH2+]CCOC(C)C)ccn12 ZINC001266144268 1323714079 /nfs/dbraw/zinc/71/40/79/1323714079.db2.gz ONHZMLYYCQZTOA-AWEZNQCLSA-N 2 2 332.448 2.166 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC001266228063 1323804493 /nfs/dbraw/zinc/80/44/93/1323804493.db2.gz DIGRXTZUIKAEHT-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC001266228063 1323804496 /nfs/dbraw/zinc/80/44/96/1323804496.db2.gz DIGRXTZUIKAEHT-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001280242519 1324127216 /nfs/dbraw/zinc/12/72/16/1324127216.db2.gz SDXDFBWKVYURFL-ZDUSSCGKSA-N 2 2 347.850 2.029 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[N@H+](CCCCCF)CC1 ZINC001280745283 1324471185 /nfs/dbraw/zinc/47/11/85/1324471185.db2.gz RXVOBEAVSWWYMX-MRXNPFEDSA-N 2 2 338.471 2.463 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001280745283 1324471187 /nfs/dbraw/zinc/47/11/87/1324471187.db2.gz RXVOBEAVSWWYMX-MRXNPFEDSA-N 2 2 338.471 2.463 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC001280900507 1324622842 /nfs/dbraw/zinc/62/28/42/1324622842.db2.gz WTMMDEDOHBZSHI-PYTPGESOSA-N 2 2 349.519 2.130 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)CCO2 ZINC001280900507 1324622849 /nfs/dbraw/zinc/62/28/49/1324622849.db2.gz WTMMDEDOHBZSHI-PYTPGESOSA-N 2 2 349.519 2.130 10 0 EEAELP COCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001281668816 1325385705 /nfs/dbraw/zinc/38/57/05/1325385705.db2.gz DYLUIZJMAPXVEF-ZFWWWQNUSA-N 2 2 330.432 2.182 10 0 EEAELP COCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001281668816 1325385710 /nfs/dbraw/zinc/38/57/10/1325385710.db2.gz DYLUIZJMAPXVEF-ZFWWWQNUSA-N 2 2 330.432 2.182 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+]CCc2ccc(C)cc2)C1 ZINC001282076694 1325612661 /nfs/dbraw/zinc/61/26/61/1325612661.db2.gz YSNLAQZIPOBUPH-UHFFFAOYSA-N 2 2 340.471 2.296 10 0 EEAELP COCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001282676041 1325762970 /nfs/dbraw/zinc/76/29/70/1325762970.db2.gz RNYSWFDAEAUIDS-SJORKVTESA-N 2 2 336.480 2.232 10 0 EEAELP COCCC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001282676041 1325762973 /nfs/dbraw/zinc/76/29/73/1325762973.db2.gz RNYSWFDAEAUIDS-SJORKVTESA-N 2 2 336.480 2.232 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001283249201 1325970781 /nfs/dbraw/zinc/97/07/81/1325970781.db2.gz MNMKLUCTPZRELR-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[C@H](C)[NH2+]Cc3cncs3)ccn12 ZINC001492024282 1330450971 /nfs/dbraw/zinc/45/09/71/1330450971.db2.gz OKKZTXTZXFJCHB-LBPRGKRZSA-N 2 2 343.456 2.397 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001316726534 1331841967 /nfs/dbraw/zinc/84/19/67/1331841967.db2.gz GGVNSLFJLOQOAM-UONOGXRCSA-N 2 2 346.397 2.300 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCC(F)(F)F ZINC001316902294 1331968122 /nfs/dbraw/zinc/96/81/22/1331968122.db2.gz HZULBUUXHCHFKW-CHWSQXEVSA-N 2 2 346.397 2.304 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CCC(F)(F)F ZINC001316902294 1331968123 /nfs/dbraw/zinc/96/81/23/1331968123.db2.gz HZULBUUXHCHFKW-CHWSQXEVSA-N 2 2 346.397 2.304 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001317091775 1332075734 /nfs/dbraw/zinc/07/57/34/1332075734.db2.gz IHAZBCQCUHJAMJ-WKILWMFISA-N 2 2 348.491 2.237 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317526420 1332283674 /nfs/dbraw/zinc/28/36/74/1332283674.db2.gz JYZXQXQIJDNWDJ-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317526420 1332283676 /nfs/dbraw/zinc/28/36/76/1332283676.db2.gz JYZXQXQIJDNWDJ-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]CCc2ccccc2)CCCC1 ZINC001318672339 1332575341 /nfs/dbraw/zinc/57/53/41/1332575341.db2.gz XOPAUZWLUGETAZ-UHFFFAOYSA-N 2 2 326.444 2.144 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1 ZINC001318975759 1332631431 /nfs/dbraw/zinc/63/14/31/1332631431.db2.gz FQENZRUKZQPIBL-BZUAXINKSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1 ZINC001318975759 1332631437 /nfs/dbraw/zinc/63/14/37/1332631437.db2.gz FQENZRUKZQPIBL-BZUAXINKSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CCc1ccccc1Cl ZINC001319256267 1332671898 /nfs/dbraw/zinc/67/18/98/1332671898.db2.gz CXTBSHVMAUTBBH-ZDUSSCGKSA-N 2 2 334.851 2.190 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001319552621 1332720208 /nfs/dbraw/zinc/72/02/08/1332720208.db2.gz RNSBRCLORDZEMD-MRXNPFEDSA-N 2 2 344.459 2.085 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)sn1 ZINC001319776872 1332765181 /nfs/dbraw/zinc/76/51/81/1332765181.db2.gz DCOOQAADWLURMT-OAHLLOKOSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]CCOC3CCC3)ccn12 ZINC001321064818 1333009470 /nfs/dbraw/zinc/00/94/70/1333009470.db2.gz OXXNHYPSBQKLLA-NSCUHMNNSA-N 2 2 342.443 2.087 10 0 EEAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC=CC[NH2+]CC2CCCC2)[nH]n1 ZINC001321067445 1333010604 /nfs/dbraw/zinc/01/06/04/1333010604.db2.gz VEZGBIADFKKQNY-XDXAGZTOSA-N 2 2 345.491 2.242 10 0 EEAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC=CC[NH2+]CC2CCCC2)[nH]n1 ZINC001321067445 1333010609 /nfs/dbraw/zinc/01/06/09/1333010609.db2.gz VEZGBIADFKKQNY-XDXAGZTOSA-N 2 2 345.491 2.242 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001321253388 1333056458 /nfs/dbraw/zinc/05/64/58/1333056458.db2.gz URZKMAQPHHURFD-SDKBWNRFSA-N 2 2 330.476 2.366 10 0 EEAELP COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2[nH]cc[nH+]2)cc1Cl ZINC001321305238 1333069448 /nfs/dbraw/zinc/06/94/48/1333069448.db2.gz BODDRXPGSXZEOL-NSCUHMNNSA-N 2 2 348.834 2.076 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001321417126 1333098914 /nfs/dbraw/zinc/09/89/14/1333098914.db2.gz NUZRKUJXYIEATL-SNAWJCMRSA-N 2 2 342.443 2.120 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001321586268 1333128613 /nfs/dbraw/zinc/12/86/13/1333128613.db2.gz TYQUMABLLPTIKI-HUUCEWRRSA-N 2 2 330.432 2.001 10 0 EEAELP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001321958142 1333186334 /nfs/dbraw/zinc/18/63/34/1333186334.db2.gz KULUBJWIMTYRJZ-DOTOQJQBSA-N 2 2 339.524 2.160 10 0 EEAELP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001321958142 1333186338 /nfs/dbraw/zinc/18/63/38/1333186338.db2.gz KULUBJWIMTYRJZ-DOTOQJQBSA-N 2 2 339.524 2.160 10 0 EEAELP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001324753001 1333752699 /nfs/dbraw/zinc/75/26/99/1333752699.db2.gz UEWQEAKMYWVXFP-APWZRJJASA-N 2 2 332.492 2.464 10 0 EEAELP C[C@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001324762112 1333754719 /nfs/dbraw/zinc/75/47/19/1333754719.db2.gz GGCKGLIJJRYWKZ-HXUWFJFHSA-N 2 2 340.471 2.344 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001326304765 1334064564 /nfs/dbraw/zinc/06/45/64/1334064564.db2.gz QQLDJSJGWQUAEB-IRXDYDNUSA-N 2 2 330.476 2.074 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001326307009 1334065129 /nfs/dbraw/zinc/06/51/29/1334065129.db2.gz YIUZOCWXUYEUBY-DSDDTSAXSA-N 2 2 336.867 2.026 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001326326309 1334069157 /nfs/dbraw/zinc/06/91/57/1334069157.db2.gz QURFUCAZOMDVDN-KRWDZBQOSA-N 2 2 344.434 2.441 10 0 EEAELP CCOCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001327532399 1334311079 /nfs/dbraw/zinc/31/10/79/1334311079.db2.gz XIMSMZFKFGMSSU-MJGOQNOKSA-N 2 2 348.491 2.185 10 0 EEAELP CCOCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001327532399 1334311081 /nfs/dbraw/zinc/31/10/81/1334311081.db2.gz XIMSMZFKFGMSSU-MJGOQNOKSA-N 2 2 348.491 2.185 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001329134417 1334592366 /nfs/dbraw/zinc/59/23/66/1334592366.db2.gz VKCJYACMWSHHKA-CVEARBPZSA-N 2 2 328.460 2.376 10 0 EEAELP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001330018097 1334762117 /nfs/dbraw/zinc/76/21/17/1334762117.db2.gz AGCSPJKINNYLOO-CGFBPQRUSA-N 2 2 330.476 2.238 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001333433563 1336046303 /nfs/dbraw/zinc/04/63/03/1336046303.db2.gz SPJAGSUHVITJKT-MRXNPFEDSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cs1 ZINC001333433563 1336046308 /nfs/dbraw/zinc/04/63/08/1336046308.db2.gz SPJAGSUHVITJKT-MRXNPFEDSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C[C@H]3CC[NH+](C)C3)CC2)cs1 ZINC001333433563 1336046313 /nfs/dbraw/zinc/04/63/13/1336046313.db2.gz SPJAGSUHVITJKT-MRXNPFEDSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C[C@H]3CC[NH+](C)C3)CC2)cs1 ZINC001333433563 1336046321 /nfs/dbraw/zinc/04/63/21/1336046321.db2.gz SPJAGSUHVITJKT-MRXNPFEDSA-N 2 2 348.516 2.042 10 0 EEAELP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000848552940 1338720506 /nfs/dbraw/zinc/72/05/06/1338720506.db2.gz GUIUSCXZVPVKLZ-DZKIICNBSA-N 2 2 341.496 2.131 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001667013857 1355632581 /nfs/dbraw/zinc/63/25/81/1355632581.db2.gz UKKVMOGIOPFUMO-MRXNPFEDSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1oncc1C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001436332935 1342036946 /nfs/dbraw/zinc/03/69/46/1342036946.db2.gz KZYGWBFAMLDAPW-ZWKOTPCHSA-N 2 2 348.491 2.136 10 0 EEAELP Cc1oncc1C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001436332935 1342036947 /nfs/dbraw/zinc/03/69/47/1342036947.db2.gz KZYGWBFAMLDAPW-ZWKOTPCHSA-N 2 2 348.491 2.136 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)ccc1F ZINC001499119805 1342108125 /nfs/dbraw/zinc/10/81/25/1342108125.db2.gz HYRFBGIBODOBGY-MRXNPFEDSA-N 2 2 330.407 2.030 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1Cc1cc(C)ccc1F ZINC001499119805 1342108128 /nfs/dbraw/zinc/10/81/28/1342108128.db2.gz HYRFBGIBODOBGY-MRXNPFEDSA-N 2 2 330.407 2.030 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001502748331 1342228310 /nfs/dbraw/zinc/22/83/10/1342228310.db2.gz RFSYWXQXASYYIA-HIFRSBDPSA-N 2 2 332.473 2.083 10 0 EEAELP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccns1 ZINC001567676654 1342811363 /nfs/dbraw/zinc/81/13/63/1342811363.db2.gz SXZKPRREGTWNBX-GASCZTMLSA-N 2 2 336.505 2.050 10 0 EEAELP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccns1 ZINC001567676654 1342811366 /nfs/dbraw/zinc/81/13/66/1342811366.db2.gz SXZKPRREGTWNBX-GASCZTMLSA-N 2 2 336.505 2.050 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001569375304 1342861371 /nfs/dbraw/zinc/86/13/71/1342861371.db2.gz VWOURTDDTGAIEE-WCKKIIIDSA-N 2 2 330.476 2.461 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001569375304 1342861374 /nfs/dbraw/zinc/86/13/74/1342861374.db2.gz VWOURTDDTGAIEE-WCKKIIIDSA-N 2 2 330.476 2.461 10 0 EEAELP Cc1conc1C[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001677574100 1357359245 /nfs/dbraw/zinc/35/92/45/1357359245.db2.gz FNJQYINFGRZCAB-KRWDZBQOSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1conc1C[NH+]1CC=C(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001677574100 1357359249 /nfs/dbraw/zinc/35/92/49/1357359249.db2.gz FNJQYINFGRZCAB-KRWDZBQOSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1conc1C[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001677574100 1357359252 /nfs/dbraw/zinc/35/92/52/1357359252.db2.gz FNJQYINFGRZCAB-KRWDZBQOSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1conc1C[N@@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001677574100 1357359258 /nfs/dbraw/zinc/35/92/58/1357359258.db2.gz FNJQYINFGRZCAB-KRWDZBQOSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)n1CC1CC1 ZINC001647309734 1353226163 /nfs/dbraw/zinc/22/61/63/1353226163.db2.gz WIRQTRJTQISMSW-UHFFFAOYSA-N 2 2 334.508 2.128 10 0 EEAELP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)n1CC1CC1 ZINC001647309734 1353226165 /nfs/dbraw/zinc/22/61/65/1353226165.db2.gz WIRQTRJTQISMSW-UHFFFAOYSA-N 2 2 334.508 2.128 10 0 EEAELP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)Cn2cc[nH+]c2)sc1C ZINC001649476777 1353527585 /nfs/dbraw/zinc/52/75/85/1353527585.db2.gz VTCFEGHUAKWAJC-GFCCVEGCSA-N 2 2 335.477 2.031 10 0 EEAELP C[C@H](CC(=O)NCCC[N@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001660316597 1354437799 /nfs/dbraw/zinc/43/77/99/1354437799.db2.gz CQALKSBBGGNFDS-CQSZACIVSA-N 2 2 333.411 2.007 10 0 EEAELP C[C@H](CC(=O)NCCC[N@@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001660316597 1354437801 /nfs/dbraw/zinc/43/78/01/1354437801.db2.gz CQALKSBBGGNFDS-CQSZACIVSA-N 2 2 333.411 2.007 10 0 EEAELP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccon1)[NH+]1CCCCC1 ZINC001660413578 1354460319 /nfs/dbraw/zinc/46/03/19/1354460319.db2.gz IVIGPVAAXGAEHC-KRWDZBQOSA-N 2 2 336.480 2.123 10 0 EEAELP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccon1)[NH+]1CCCCC1 ZINC001660413578 1354460323 /nfs/dbraw/zinc/46/03/23/1354460323.db2.gz IVIGPVAAXGAEHC-KRWDZBQOSA-N 2 2 336.480 2.123 10 0 EEAELP Cc1cncc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001663115553 1354919912 /nfs/dbraw/zinc/91/99/12/1354919912.db2.gz YUQSKLZXGSKVGF-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1cncc(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001663115553 1354919914 /nfs/dbraw/zinc/91/99/14/1354919914.db2.gz YUQSKLZXGSKVGF-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001664013447 1355074202 /nfs/dbraw/zinc/07/42/02/1355074202.db2.gz IKPCSZLBFHPTND-CYBMUJFWSA-N 2 2 338.415 2.084 10 0 EEAELP CN(CC[NH2+]Cc1cc(Cl)cc(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001664408213 1355157589 /nfs/dbraw/zinc/15/75/89/1355157589.db2.gz NKWMBZREJIWQHF-UHFFFAOYSA-N 2 2 341.242 2.438 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC(CC[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001666266163 1355499514 /nfs/dbraw/zinc/49/95/14/1355499514.db2.gz GBTLSFBKVKFKJY-ZROIWOOFSA-N 2 2 345.274 2.420 10 0 EEAELP C[C@@H](CC[NH2+]CCOC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001668137144 1355881978 /nfs/dbraw/zinc/88/19/78/1355881978.db2.gz FENMHKKJWXIPAW-AWEZNQCLSA-N 2 2 330.432 2.001 10 0 EEAELP C[C@@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC001669137877 1356104305 /nfs/dbraw/zinc/10/43/05/1356104305.db2.gz FKVATGDANKVNEZ-RDFMZFSFSA-N 2 2 330.407 2.125 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001671700334 1356398070 /nfs/dbraw/zinc/39/80/70/1356398070.db2.gz SWKQYEYEFLBWSY-IBGZPJMESA-N 2 2 338.411 2.410 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001671700334 1356398080 /nfs/dbraw/zinc/39/80/80/1356398080.db2.gz SWKQYEYEFLBWSY-IBGZPJMESA-N 2 2 338.411 2.410 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@H+](CCCCCF)CCC1(F)F ZINC001671972548 1356447121 /nfs/dbraw/zinc/44/71/21/1356447121.db2.gz UPFBTJCSQNDRMB-ZDUSSCGKSA-N 2 2 346.397 2.165 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[N@@H+](CCCCCF)CCC1(F)F ZINC001671972548 1356447127 /nfs/dbraw/zinc/44/71/27/1356447127.db2.gz UPFBTJCSQNDRMB-ZDUSSCGKSA-N 2 2 346.397 2.165 10 0 EEAELP C[C@H]([NH2+]CCCc1ccsc1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001672235911 1356485924 /nfs/dbraw/zinc/48/59/24/1356485924.db2.gz YODRMRSBBIJKOW-GOEBONIOSA-N 2 2 346.500 2.473 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001672816658 1356591819 /nfs/dbraw/zinc/59/18/19/1356591819.db2.gz SYPUIWPXCAIOSJ-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2F)C1 ZINC001672870033 1356604035 /nfs/dbraw/zinc/60/40/35/1356604035.db2.gz XYQXMRWHCVJVSM-ZDUSSCGKSA-N 2 2 348.397 2.259 10 0 EEAELP COCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001673654968 1356728433 /nfs/dbraw/zinc/72/84/33/1356728433.db2.gz DUZCQXMJJCFVGB-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP COCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001673654968 1356728435 /nfs/dbraw/zinc/72/84/35/1356728435.db2.gz DUZCQXMJJCFVGB-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001675791841 1357049365 /nfs/dbraw/zinc/04/93/65/1357049365.db2.gz JSGOMKZLDTYNFC-KCLVAJJLSA-N 2 2 330.476 2.364 10 0 EEAELP CN(C(=O)C1(F)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000843575570 759866002 /nfs/dbraw/zinc/86/60/02/759866002.db2.gz XKOKPPFDLHJNTK-JKSUJKDBSA-N 2 2 325.472 2.284 10 0 EEAELP CN(C(=O)C1(F)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000843575570 759866010 /nfs/dbraw/zinc/86/60/10/759866010.db2.gz XKOKPPFDLHJNTK-JKSUJKDBSA-N 2 2 325.472 2.284 10 0 EEAELP C/C(=C\C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C[NH+]1CCOCC1 ZINC000907288351 784518853 /nfs/dbraw/zinc/51/88/53/784518853.db2.gz ZKQWKRNGTHGKPL-WWMCSRHNSA-N 2 2 349.519 2.034 10 0 EEAELP C/C(=C\C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C[NH+]1CCOCC1 ZINC000907288351 784518859 /nfs/dbraw/zinc/51/88/59/784518859.db2.gz ZKQWKRNGTHGKPL-WWMCSRHNSA-N 2 2 349.519 2.034 10 0 EEAELP O[C@H](C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000819033905 785390484 /nfs/dbraw/zinc/39/04/84/785390484.db2.gz JTXKDYIBBXUKSV-GOSISDBHSA-N 2 2 337.895 2.213 10 0 EEAELP C[C@]12CN(C(=O)Cn3cc[nH+]c3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000913082224 788613641 /nfs/dbraw/zinc/61/36/41/788613641.db2.gz DKUDZELIDTUFNS-PMACEKPBSA-N 2 2 338.455 2.254 10 0 EEAELP O=S(=O)(CC[NH+]1CCC12CCCC2)CC[N@@H+]1CCC12CCCC2 ZINC000844360178 789041453 /nfs/dbraw/zinc/04/14/53/789041453.db2.gz OKDZPUZTZBMOSP-UHFFFAOYSA-N 2 2 340.533 2.438 10 0 EEAELP O=S(=O)(CC[NH+]1CCC12CCCC2)CC[N@H+]1CCC12CCCC2 ZINC000844360178 789041464 /nfs/dbraw/zinc/04/14/64/789041464.db2.gz OKDZPUZTZBMOSP-UHFFFAOYSA-N 2 2 340.533 2.438 10 0 EEAELP COc1ccc2c(c1)C(=O)N(C[N@H+](C)CCCn1cc[nH+]c1C)C2 ZINC000790442736 808712224 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0 EEAELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC001437566131 1090041557 /nfs/dbraw/zinc/04/15/57/1090041557.db2.gz RMVXWQUULSPQIT-GJZGRUSLSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001437566131 1090041570 /nfs/dbraw/zinc/04/15/70/1090041570.db2.gz RMVXWQUULSPQIT-GJZGRUSLSA-N 2 2 344.459 2.249 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)Cc1cncs1 ZINC001437647301 1090168686 /nfs/dbraw/zinc/16/86/86/1090168686.db2.gz AFHIXROVDJSIAC-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)Cc1cncs1 ZINC001437647301 1090168688 /nfs/dbraw/zinc/16/86/88/1090168688.db2.gz AFHIXROVDJSIAC-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001437905744 1090486731 /nfs/dbraw/zinc/48/67/31/1090486731.db2.gz QZGXYMSAAQYXRV-KRWDZBQOSA-N 2 2 345.447 2.001 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001437905744 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DSVUMAAXOUBCOS-GDBMZVCRSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001438688057 1091186563 /nfs/dbraw/zinc/18/65/63/1091186563.db2.gz DSVUMAAXOUBCOS-GDBMZVCRSA-N 2 2 336.480 2.182 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)NC(=O)Cn1cc[nH+]c1 ZINC001445662084 1091451742 /nfs/dbraw/zinc/45/17/42/1091451742.db2.gz ATUGAPHKPPXEQZ-LRDDRELGSA-N 2 2 332.835 2.318 10 0 EEAELP C[C@H](C[NH2+]Cc1cscn1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001439182192 1091829298 /nfs/dbraw/zinc/82/92/98/1091829298.db2.gz OOBZWNYYYDDBOU-CJNGLKHVSA-N 2 2 332.473 2.040 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC001439224955 1091869397 /nfs/dbraw/zinc/86/93/97/1091869397.db2.gz XUWWKPHHZAXZRP-IRXDYDNUSA-N 2 2 340.471 2.357 10 0 EEAELP Cc1nocc1C[NH+]1CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001446044062 1092044646 /nfs/dbraw/zinc/04/46/46/1092044646.db2.gz AWMXQSJJQBTRKF-KRWDZBQOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1nocc1C[NH+]1CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001446044062 1092044657 /nfs/dbraw/zinc/04/46/57/1092044657.db2.gz AWMXQSJJQBTRKF-KRWDZBQOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1nocc1C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001446044062 1092044668 /nfs/dbraw/zinc/04/46/68/1092044668.db2.gz AWMXQSJJQBTRKF-KRWDZBQOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1nocc1C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001446044062 1092044676 /nfs/dbraw/zinc/04/46/76/1092044676.db2.gz AWMXQSJJQBTRKF-KRWDZBQOSA-N 2 2 348.491 2.327 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439483671 1092290770 /nfs/dbraw/zinc/29/07/70/1092290770.db2.gz AAHPDJBGZRAUTK-LRDDRELGSA-N 2 2 332.473 2.334 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439483671 1092290781 /nfs/dbraw/zinc/29/07/81/1092290781.db2.gz AAHPDJBGZRAUTK-LRDDRELGSA-N 2 2 332.473 2.334 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+]2CCc2ccccc2)c[nH+]1 ZINC001439536698 1092399174 /nfs/dbraw/zinc/39/91/74/1092399174.db2.gz KKLHERXOLZUTKR-GOSISDBHSA-N 2 2 340.471 2.360 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+]2CCc2ccccc2)c[nH+]1 ZINC001439536698 1092399195 /nfs/dbraw/zinc/39/91/95/1092399195.db2.gz KKLHERXOLZUTKR-GOSISDBHSA-N 2 2 340.471 2.360 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCc2c1cc(F)cc2F ZINC001439548067 1092418173 /nfs/dbraw/zinc/41/81/73/1092418173.db2.gz ACYWEJNXRNITCC-CXAGYDPISA-N 2 2 337.414 2.094 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCc2c1cc(F)cc2F ZINC001439548067 1092418178 /nfs/dbraw/zinc/41/81/78/1092418178.db2.gz ACYWEJNXRNITCC-CXAGYDPISA-N 2 2 337.414 2.094 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1)n1cc[nH+]c1 ZINC001440304220 1093431471 /nfs/dbraw/zinc/43/14/71/1093431471.db2.gz MBPBXEQOCBPISX-WCXIOVBPSA-N 2 2 348.491 2.134 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001448451276 1093461660 /nfs/dbraw/zinc/46/16/60/1093461660.db2.gz NNEYWONIIVOXLG-UDTPNQRGSA-N 2 2 344.503 2.463 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001448451276 1093461666 /nfs/dbraw/zinc/46/16/66/1093461666.db2.gz NNEYWONIIVOXLG-UDTPNQRGSA-N 2 2 344.503 2.463 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001448451276 1093461670 /nfs/dbraw/zinc/46/16/70/1093461670.db2.gz NNEYWONIIVOXLG-UDTPNQRGSA-N 2 2 344.503 2.463 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001448451276 1093461674 /nfs/dbraw/zinc/46/16/74/1093461674.db2.gz NNEYWONIIVOXLG-UDTPNQRGSA-N 2 2 344.503 2.463 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001448517378 1093545868 /nfs/dbraw/zinc/54/58/68/1093545868.db2.gz QJEMOYDKPIFUHD-KOMQPUFPSA-N 2 2 344.434 2.176 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001440509732 1093755222 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2.290 10 0 EEAELP C[C@H]1C[C@@H](C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)CCO1 ZINC001441106827 1094415796 /nfs/dbraw/zinc/41/57/96/1094415796.db2.gz FKBLVBDUIJGEKP-HOTGVXAUSA-N 2 2 348.491 2.176 10 0 EEAELP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1)[NH+](C)C ZINC001441188067 1094545376 /nfs/dbraw/zinc/54/53/76/1094545376.db2.gz XJWLKFQDBZZWEB-CJNGLKHVSA-N 2 2 344.459 2.105 10 0 EEAELP Cc1cc(C[NH+]2C[C@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C(C)(C)C2)no1 ZINC001441240079 1094626464 /nfs/dbraw/zinc/62/64/64/1094626464.db2.gz GARAOARSNDKYHQ-SJORKVTESA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[NH+]2C[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C(C)(C)C2)no1 ZINC001441240079 1094626469 /nfs/dbraw/zinc/62/64/69/1094626469.db2.gz GARAOARSNDKYHQ-SJORKVTESA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[N@H+]2C[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC001441240079 1094626473 /nfs/dbraw/zinc/62/64/73/1094626473.db2.gz GARAOARSNDKYHQ-SJORKVTESA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC001441240079 1094626477 /nfs/dbraw/zinc/62/64/77/1094626477.db2.gz GARAOARSNDKYHQ-SJORKVTESA-N 2 2 348.491 2.184 10 0 EEAELP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441285016 1094709213 /nfs/dbraw/zinc/70/92/13/1094709213.db2.gz UKOAUTUBCIOHLM-AKHDSKFASA-N 2 2 338.455 2.398 10 0 EEAELP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441285016 1094709227 /nfs/dbraw/zinc/70/92/27/1094709227.db2.gz UKOAUTUBCIOHLM-AKHDSKFASA-N 2 2 338.455 2.398 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001441393265 1094956252 /nfs/dbraw/zinc/95/62/52/1094956252.db2.gz MKMVRCPTXVFVRY-NQNKBUKLSA-N 2 2 330.476 2.026 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nocc1C ZINC001441514901 1095210064 /nfs/dbraw/zinc/21/00/64/1095210064.db2.gz WKOJVNNARBLSBS-CABCVRRESA-N 2 2 347.463 2.330 10 0 EEAELP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001441916917 1096095251 /nfs/dbraw/zinc/09/52/51/1096095251.db2.gz HKNGMYLJQPICTL-WBMJQRKESA-N 2 2 330.432 2.038 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2onc3ccccc32)CC1 ZINC001442028047 1096235035 /nfs/dbraw/zinc/23/50/35/1096235035.db2.gz AYMLFESRRXSONW-UHFFFAOYSA-N 2 2 337.383 2.227 10 0 EEAELP CC(C)C[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2nccs2)C1)n1cc[nH+]c1 ZINC001442087796 1096307543 /nfs/dbraw/zinc/30/75/43/1096307543.db2.gz AEYZVZARGGAXDQ-GJZGRUSLSA-N 2 2 347.488 2.318 10 0 EEAELP C[C@@H](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]Cc1ccccc1 ZINC001442258964 1096559396 /nfs/dbraw/zinc/55/93/96/1096559396.db2.gz GNRASKXGWSAUBM-INIZCTEOSA-N 2 2 340.471 2.447 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC001442426639 1096751877 /nfs/dbraw/zinc/75/18/77/1096751877.db2.gz AWPPPGATNRGLRZ-IXDOHACOSA-N 2 2 332.492 2.411 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)C[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC001442426639 1096751881 /nfs/dbraw/zinc/75/18/81/1096751881.db2.gz AWPPPGATNRGLRZ-IXDOHACOSA-N 2 2 332.492 2.411 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001443073352 1097484485 /nfs/dbraw/zinc/48/44/85/1097484485.db2.gz DXBRJYTXIXCANT-GOSISDBHSA-N 2 2 339.439 2.368 10 0 EEAELP C[C@@](C[NH2+]CC1CCC1)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001444136165 1098674360 /nfs/dbraw/zinc/67/43/60/1098674360.db2.gz TZOTWGMWPQFUPU-KXBFYZLASA-N 2 2 330.476 2.120 10 0 EEAELP Cc1cc(F)ccc1C[N@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001479787475 1098986491 /nfs/dbraw/zinc/98/64/91/1098986491.db2.gz DQGAQGOQGDUWIV-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)CCn1cc[nH+]c1 ZINC001479787475 1098986499 /nfs/dbraw/zinc/98/64/99/1098986499.db2.gz DQGAQGOQGDUWIV-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ncc(C2CC2)o1 ZINC001479815746 1099084367 /nfs/dbraw/zinc/08/43/67/1099084367.db2.gz MJZXRIADZBDVJY-MRXNPFEDSA-N 2 2 348.491 2.365 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ncc(C2CC2)o1 ZINC001479815746 1099084380 /nfs/dbraw/zinc/08/43/80/1099084380.db2.gz MJZXRIADZBDVJY-MRXNPFEDSA-N 2 2 348.491 2.365 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001479815746 1099084389 /nfs/dbraw/zinc/08/43/89/1099084389.db2.gz MJZXRIADZBDVJY-MRXNPFEDSA-N 2 2 348.491 2.365 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC001479815746 1099084402 /nfs/dbraw/zinc/08/44/02/1099084402.db2.gz MJZXRIADZBDVJY-MRXNPFEDSA-N 2 2 348.491 2.365 10 0 EEAELP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001479827719 1099107774 /nfs/dbraw/zinc/10/77/74/1099107774.db2.gz YGJAFJHENACRMB-DOTOQJQBSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001479827719 1099107777 /nfs/dbraw/zinc/10/77/77/1099107777.db2.gz YGJAFJHENACRMB-DOTOQJQBSA-N 2 2 336.480 2.127 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]Cc2ccccn2)C2CC2)c[nH+]1 ZINC001480028205 1099515920 /nfs/dbraw/zinc/51/59/20/1099515920.db2.gz KTFUTZOJAJUVPX-QGZVFWFLSA-N 2 2 341.459 2.006 10 0 EEAELP Cc1ncsc1C[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001480049440 1099557243 /nfs/dbraw/zinc/55/72/43/1099557243.db2.gz BXQOJZXJOLGJKX-SWLSCSKDSA-N 2 2 347.488 2.284 10 0 EEAELP CC(C)C[C@@H](C[NH2+]C/C(Cl)=C\Cl)NC(=O)Cn1cc[nH+]c1 ZINC001444768683 1099666022 /nfs/dbraw/zinc/66/60/22/1099666022.db2.gz BBMWLNZKQHTKEB-UWUHSAQLSA-N 2 2 333.263 2.323 10 0 EEAELP CN(CC[N@H+](C)CC[C@H]1CCCC1(F)F)C(=O)CCn1cc[nH+]c1 ZINC001445021863 1100180404 /nfs/dbraw/zinc/18/04/04/1100180404.db2.gz UKUSGCOWDLNHJS-OAHLLOKOSA-N 2 2 342.434 2.489 10 0 EEAELP CN(CC[N@@H+](C)CC[C@H]1CCCC1(F)F)C(=O)CCn1cc[nH+]c1 ZINC001445021863 1100180406 /nfs/dbraw/zinc/18/04/06/1100180406.db2.gz UKUSGCOWDLNHJS-OAHLLOKOSA-N 2 2 342.434 2.489 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1c(F)cccc1F ZINC001480489991 1100300735 /nfs/dbraw/zinc/30/07/35/1100300735.db2.gz LUQLUZDQBNIKMP-CHWSQXEVSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@H]1CCc2ccccc21 ZINC001480508152 1100334328 /nfs/dbraw/zinc/33/43/28/1100334328.db2.gz FEFFPVDOFSEKFZ-YOEHRIQHSA-N 2 2 326.444 2.135 10 0 EEAELP CC(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001495255097 1100952815 /nfs/dbraw/zinc/95/28/15/1100952815.db2.gz OVBTXKNMQMHDKX-HNAYVOBHSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CC(=O)N[C@@]1(C)CC[N@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001446552141 1101021405 /nfs/dbraw/zinc/02/14/05/1101021405.db2.gz ICIHXFGXOKXRJR-OCCSQVGLSA-N 2 2 332.370 2.367 10 0 EEAELP C[C@H](CC(=O)N[C@@]1(C)CC[N@@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001446552141 1101021413 /nfs/dbraw/zinc/02/14/13/1101021413.db2.gz ICIHXFGXOKXRJR-OCCSQVGLSA-N 2 2 332.370 2.367 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccsc2)C1 ZINC001446618474 1101123782 /nfs/dbraw/zinc/12/37/82/1101123782.db2.gz VHTODTDMVFDUKT-SFHVURJKSA-N 2 2 346.500 2.443 10 0 EEAELP CN(CC[N@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)Cn1cc[nH+]c1 ZINC001496848251 1101596076 /nfs/dbraw/zinc/59/60/76/1101596076.db2.gz PCVXBHHWEOXJQU-KRWDZBQOSA-N 2 2 330.407 2.100 10 0 EEAELP CN(CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)C(=O)Cn1cc[nH+]c1 ZINC001496848251 1101596086 /nfs/dbraw/zinc/59/60/86/1101596086.db2.gz PCVXBHHWEOXJQU-KRWDZBQOSA-N 2 2 330.407 2.100 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)[C@H](C)C[NH2+]CCc1cccs1 ZINC001496099045 1102059435 /nfs/dbraw/zinc/05/94/35/1102059435.db2.gz XPLMREMOPOTLKN-CQSZACIVSA-N 2 2 347.484 2.373 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001497216991 1102140933 /nfs/dbraw/zinc/14/09/33/1102140933.db2.gz HKYFSDPYGDVQJZ-SJLPKXTDSA-N 2 2 340.471 2.173 10 0 EEAELP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001447414433 1102613975 /nfs/dbraw/zinc/61/39/75/1102613975.db2.gz PMZSEXKCQZFPDL-MRXNPFEDSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001497579523 1102693097 /nfs/dbraw/zinc/69/30/97/1102693097.db2.gz ODUGMWOEFLSHBS-AATRIKPKSA-N 2 2 334.464 2.010 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)C2(C[NH+](C)C)CCCCC2)no1 ZINC001497639101 1102796970 /nfs/dbraw/zinc/79/69/70/1102796970.db2.gz AMWBAQZVDIVDFE-FPLPWBNLSA-N 2 2 348.491 2.257 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1 ZINC001497743308 1103002676 /nfs/dbraw/zinc/00/26/76/1103002676.db2.gz UWJZZIWIRVIZEV-NSCUHMNNSA-N 2 2 330.476 2.195 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ncc(C(C)(C)C)o1 ZINC001497750609 1103020824 /nfs/dbraw/zinc/02/08/24/1103020824.db2.gz VHCMVVFUMWFINQ-MFHOCJEASA-N 2 2 348.491 2.247 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ncc(C(C)(C)C)o1 ZINC001497750609 1103020838 /nfs/dbraw/zinc/02/08/38/1103020838.db2.gz VHCMVVFUMWFINQ-MFHOCJEASA-N 2 2 348.491 2.247 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001447638738 1103023264 /nfs/dbraw/zinc/02/32/64/1103023264.db2.gz MQZWZXLLQJEGNQ-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001447638738 1103023277 /nfs/dbraw/zinc/02/32/77/1103023277.db2.gz MQZWZXLLQJEGNQ-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001447638738 1103023292 /nfs/dbraw/zinc/02/32/92/1103023292.db2.gz MQZWZXLLQJEGNQ-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001447638738 1103023309 /nfs/dbraw/zinc/02/33/09/1103023309.db2.gz MQZWZXLLQJEGNQ-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)c1cccc2[nH+]ccn21 ZINC001497853621 1103199065 /nfs/dbraw/zinc/19/90/65/1103199065.db2.gz LEBUITDNMBVVDM-SNVBAGLBSA-N 2 2 327.215 2.361 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)C1 ZINC001448223596 1104207805 /nfs/dbraw/zinc/20/78/05/1104207805.db2.gz HELQCZSUMDNBKL-MRXNPFEDSA-N 2 2 348.491 2.176 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001494925499 1104567567 /nfs/dbraw/zinc/56/75/67/1104567567.db2.gz QZCHRDYOBMNNJD-INIZCTEOSA-N 2 2 338.521 2.215 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001494925499 1104567573 /nfs/dbraw/zinc/56/75/73/1104567573.db2.gz QZCHRDYOBMNNJD-INIZCTEOSA-N 2 2 338.521 2.215 10 0 EEAELP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](Cc2csc(C)n2)C1 ZINC001494925499 1104567579 /nfs/dbraw/zinc/56/75/79/1104567579.db2.gz QZCHRDYOBMNNJD-INIZCTEOSA-N 2 2 338.521 2.215 10 0 EEAELP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](Cc2csc(C)n2)C1 ZINC001494925499 1104567585 /nfs/dbraw/zinc/56/75/85/1104567585.db2.gz QZCHRDYOBMNNJD-INIZCTEOSA-N 2 2 338.521 2.215 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001495000615 1104642603 /nfs/dbraw/zinc/64/26/03/1104642603.db2.gz OUQRQMVULRKEPU-BFHYXJOUSA-N 2 2 347.850 2.246 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001495000615 1104642605 /nfs/dbraw/zinc/64/26/05/1104642605.db2.gz OUQRQMVULRKEPU-BFHYXJOUSA-N 2 2 347.850 2.246 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001498399314 1107454748 /nfs/dbraw/zinc/45/47/48/1107454748.db2.gz KNTVXMGCWLJKHW-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001498399314 1107454752 /nfs/dbraw/zinc/45/47/52/1107454752.db2.gz KNTVXMGCWLJKHW-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001498399314 1107454754 /nfs/dbraw/zinc/45/47/54/1107454754.db2.gz KNTVXMGCWLJKHW-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001498399314 1107454771 /nfs/dbraw/zinc/45/47/71/1107454771.db2.gz KNTVXMGCWLJKHW-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP C[C@H](c1nc2ccccc2o1)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001498465509 1107583716 /nfs/dbraw/zinc/58/37/16/1107583716.db2.gz IWULLXBMMWZGHP-UONOGXRCSA-N 2 2 341.415 2.222 10 0 EEAELP C[C@H](c1nc2ccccc2o1)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001498465509 1107583719 /nfs/dbraw/zinc/58/37/19/1107583719.db2.gz IWULLXBMMWZGHP-UONOGXRCSA-N 2 2 341.415 2.222 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@H]2C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)cc1 ZINC001454885701 1107860932 /nfs/dbraw/zinc/86/09/32/1107860932.db2.gz APYXXOVSXZRNKO-RBUKOAKNSA-N 2 2 345.487 2.068 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@H]2C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)cc1 ZINC001454885701 1107860950 /nfs/dbraw/zinc/86/09/50/1107860950.db2.gz APYXXOVSXZRNKO-RBUKOAKNSA-N 2 2 345.487 2.068 10 0 EEAELP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1 ZINC001454885701 1107860971 /nfs/dbraw/zinc/86/09/71/1107860971.db2.gz APYXXOVSXZRNKO-RBUKOAKNSA-N 2 2 345.487 2.068 10 0 EEAELP COc1ccc(C[NH+]2CC[C@H]2C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1 ZINC001454885701 1107860985 /nfs/dbraw/zinc/86/09/85/1107860985.db2.gz APYXXOVSXZRNKO-RBUKOAKNSA-N 2 2 345.487 2.068 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)c2ccn3c(C)c[nH+]c3c2)s1 ZINC001493543648 1108289767 /nfs/dbraw/zinc/28/97/67/1108289767.db2.gz FLOFMPNUKUJXSZ-UHFFFAOYSA-N 2 2 343.456 2.269 10 0 EEAELP CN(C(=O)Cn1cc[nH+]c1)C1C[NH+](CCCCc2ccccc2)C1 ZINC001499804320 1112490716 /nfs/dbraw/zinc/49/07/16/1112490716.db2.gz GQXNNEKSGRJSLG-UHFFFAOYSA-N 2 2 326.444 2.049 10 0 EEAELP CC(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001500616639 1112979975 /nfs/dbraw/zinc/97/99/75/1112979975.db2.gz GZEGETKSCFZXLO-AWEZNQCLSA-N 2 2 342.434 2.082 10 0 EEAELP CC(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001500616639 1112979980 /nfs/dbraw/zinc/97/99/80/1112979980.db2.gz GZEGETKSCFZXLO-AWEZNQCLSA-N 2 2 342.434 2.082 10 0 EEAELP C[C@@H]([NH2+]CCF)c1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001501677519 1113429709 /nfs/dbraw/zinc/42/97/09/1113429709.db2.gz YVCDWWRHDZYWOC-PBHICJAKSA-N 2 2 344.434 2.382 10 0 EEAELP C[C@@H]([NH2+]Cc1cccc(Cl)c1F)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505720608 1114150449 /nfs/dbraw/zinc/15/04/49/1114150449.db2.gz PJTRULUMVCJVSY-MNOVXSKESA-N 2 2 338.814 2.428 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC001505769705 1114180783 /nfs/dbraw/zinc/18/07/83/1114180783.db2.gz VIXOJVNLBGDKTB-KBPBESRZSA-N 2 2 334.851 2.262 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1ccns1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001505845696 1114229638 /nfs/dbraw/zinc/22/96/38/1114229638.db2.gz XJOZDGIQVLXJMH-UHFFFAOYSA-N 2 2 349.504 2.418 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC001506069915 1114393670 /nfs/dbraw/zinc/39/36/70/1114393670.db2.gz YMRCNMFLJVZEAI-ZDUSSCGKSA-N 2 2 336.386 2.457 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC001506069915 1114393677 /nfs/dbraw/zinc/39/36/77/1114393677.db2.gz YMRCNMFLJVZEAI-ZDUSSCGKSA-N 2 2 336.386 2.457 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2csc(C)n2)CC1(C)C ZINC001506749715 1114864070 /nfs/dbraw/zinc/86/40/70/1114864070.db2.gz IBCVHRBMFFTLNP-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2csc(C)n2)CC1(C)C ZINC001506749715 1114864072 /nfs/dbraw/zinc/86/40/72/1114864072.db2.gz IBCVHRBMFFTLNP-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC001506749715 1114864075 /nfs/dbraw/zinc/86/40/75/1114864075.db2.gz IBCVHRBMFFTLNP-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001506885660 1114950074 /nfs/dbraw/zinc/95/00/74/1114950074.db2.gz USRNAVYNUCBWIH-CTYIDZIISA-N 2 2 348.397 2.305 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001506885660 1114950077 /nfs/dbraw/zinc/95/00/77/1114950077.db2.gz USRNAVYNUCBWIH-CTYIDZIISA-N 2 2 348.397 2.305 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567892275 1124160992 /nfs/dbraw/zinc/16/09/92/1124160992.db2.gz CMBPRXWIVCYCAG-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567892275 1124160994 /nfs/dbraw/zinc/16/09/94/1124160994.db2.gz CMBPRXWIVCYCAG-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F ZINC001568393622 1124463710 /nfs/dbraw/zinc/46/37/10/1124463710.db2.gz OVEUILBFSPOGQK-ZDUSSCGKSA-N 2 2 332.370 2.265 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001568516011 1124578740 /nfs/dbraw/zinc/57/87/40/1124578740.db2.gz RZRTVDFVHRZVAS-RDJZCZTQSA-N 2 2 336.455 2.025 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCCCCF)C1 ZINC001568516011 1124578744 /nfs/dbraw/zinc/57/87/44/1124578744.db2.gz RZRTVDFVHRZVAS-RDJZCZTQSA-N 2 2 336.455 2.025 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001568539995 1124600892 /nfs/dbraw/zinc/60/08/92/1124600892.db2.gz JIWKNBHZFIHYHK-OCCSQVGLSA-N 2 2 346.397 2.180 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001568649952 1124661035 /nfs/dbraw/zinc/66/10/35/1124661035.db2.gz RGZRZTOXHVNZGR-YJTPHCHXSA-N 2 2 345.274 2.249 10 0 EEAELP C[C@H](C[NH2+]CCc1ccc2ccccc2c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001569027189 1125050706 /nfs/dbraw/zinc/05/07/06/1125050706.db2.gz DKJVPVFIERMCOV-OAHLLOKOSA-N 2 2 336.439 2.442 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000155307552 539488786 /nfs/dbraw/zinc/48/87/86/539488786.db2.gz NKXALMGUBNLCDK-MJGOQNOKSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000155307552 539488787 /nfs/dbraw/zinc/48/87/87/539488787.db2.gz NKXALMGUBNLCDK-MJGOQNOKSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@@H](c1ccc(Cl)s1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508173 213326307 /nfs/dbraw/zinc/32/63/07/213326307.db2.gz HPIBGYXODHNLPK-NWDGAFQWSA-N 2 2 327.881 2.359 10 0 EEAELP C[C@@H](c1ccc(Cl)s1)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508173 213326310 /nfs/dbraw/zinc/32/63/10/213326310.db2.gz HPIBGYXODHNLPK-NWDGAFQWSA-N 2 2 327.881 2.359 10 0 EEAELP CCNC(=O)C1(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCC1 ZINC000423082477 240357570 /nfs/dbraw/zinc/35/75/70/240357570.db2.gz WXFWHPFQUKFOOE-QZTJIDSGSA-N 2 2 345.487 2.384 10 0 EEAELP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)cc1F ZINC000422640753 240170282 /nfs/dbraw/zinc/17/02/82/240170282.db2.gz WDGVNDBBSOSZQY-AWEZNQCLSA-N 2 2 349.450 2.009 10 0 EEAELP Fc1ccc(Br)cc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422802416 240234628 /nfs/dbraw/zinc/23/46/28/240234628.db2.gz BHYHXSYQBLMTTF-GJZGRUSLSA-N 2 2 343.240 2.445 10 0 EEAELP c1ccc(CC[NH+]2CCC([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422840270 240255085 /nfs/dbraw/zinc/25/50/85/240255085.db2.gz BFTIFLBPTJWXNX-RTWAWAEBSA-N 3 2 343.515 2.050 10 0 EEAELP COc1ccc(OC(F)F)c(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422875578 240270368 /nfs/dbraw/zinc/27/03/68/240270368.db2.gz PGPYXTAITOJVKA-HZPDHXFCSA-N 2 2 342.386 2.153 10 0 EEAELP Fc1cccc(OC(F)F)c1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422922737 240292631 /nfs/dbraw/zinc/29/26/31/240292631.db2.gz UFQSMUVPFPKQNT-LSDHHAIUSA-N 2 2 330.350 2.284 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1c[nH+]ccc1N ZINC000422996746 240325085 /nfs/dbraw/zinc/32/50/85/240325085.db2.gz UGMBAFAGHKMUFH-WDEREUQCSA-N 2 2 332.354 2.228 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000459704407 245215584 /nfs/dbraw/zinc/21/55/84/245215584.db2.gz HASDJHUMTGALMZ-NJAFHUGGSA-N 2 2 328.460 2.096 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)c2ccnn2C)CC[N@H+]1Cc1ccccc1 ZINC000459704407 245215588 /nfs/dbraw/zinc/21/55/88/245215588.db2.gz HASDJHUMTGALMZ-NJAFHUGGSA-N 2 2 328.460 2.096 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H]2CCCC[C@@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636804 258026086 /nfs/dbraw/zinc/02/60/86/258026086.db2.gz OGDXNBHWTLMLDI-DSLXNQLJSA-N 2 2 334.508 2.428 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H]2CCCC[C@@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636804 258026087 /nfs/dbraw/zinc/02/60/87/258026087.db2.gz OGDXNBHWTLMLDI-DSLXNQLJSA-N 2 2 334.508 2.428 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H]2CCCC[C@@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636804 258026089 /nfs/dbraw/zinc/02/60/89/258026089.db2.gz OGDXNBHWTLMLDI-DSLXNQLJSA-N 2 2 334.508 2.428 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H]2CCCC[C@@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636804 258026091 /nfs/dbraw/zinc/02/60/91/258026091.db2.gz OGDXNBHWTLMLDI-DSLXNQLJSA-N 2 2 334.508 2.428 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H](O)c3ccccc3)CCC[NH+]2C)cn1 ZINC000328631553 258028225 /nfs/dbraw/zinc/02/82/25/258028225.db2.gz KQAMVGDFUWVUTQ-DFQSSKMNSA-N 2 2 342.487 2.468 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@@H](O)c3ccccc3)CCC[NH+]2C)cn1 ZINC000328631553 258028227 /nfs/dbraw/zinc/02/82/27/258028227.db2.gz KQAMVGDFUWVUTQ-DFQSSKMNSA-N 2 2 342.487 2.468 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H](O)c3ccccc3)CCC[N@@H+]2C)cn1 ZINC000328631553 258028229 /nfs/dbraw/zinc/02/82/29/258028229.db2.gz KQAMVGDFUWVUTQ-DFQSSKMNSA-N 2 2 342.487 2.468 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@@H](O)c3ccccc3)CCC[N@H+]2C)cn1 ZINC000328631553 258028230 /nfs/dbraw/zinc/02/82/30/258028230.db2.gz KQAMVGDFUWVUTQ-DFQSSKMNSA-N 2 2 342.487 2.468 10 0 EEAELP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328623662 258034548 /nfs/dbraw/zinc/03/45/48/258034548.db2.gz CBBDURUFESYXDZ-SOLBZPMBSA-N 2 2 348.491 2.411 10 0 EEAELP Cc1nnsc1C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328598154 258041767 /nfs/dbraw/zinc/04/17/67/258041767.db2.gz KMIKMNMREXPHHM-AWEZNQCLSA-N 2 2 345.472 2.495 10 0 EEAELP Cc1nnsc1C[N@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328598154 258041769 /nfs/dbraw/zinc/04/17/69/258041769.db2.gz KMIKMNMREXPHHM-AWEZNQCLSA-N 2 2 345.472 2.495 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000136857367 140810823 /nfs/dbraw/zinc/81/08/23/140810823.db2.gz CEPWUCCCWWWYBS-KRWDZBQOSA-N 2 2 347.507 2.260 10 0 EEAELP C[NH+](C)Cc1cccc(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)c1 ZINC000172616966 152100513 /nfs/dbraw/zinc/10/05/13/152100513.db2.gz IAZPCTIEEVSARY-UHFFFAOYSA-N 2 2 335.411 2.259 10 0 EEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000262694541 152307778 /nfs/dbraw/zinc/30/77/78/152307778.db2.gz AYNBRMHAIBREPD-HNNXBMFYSA-N 2 2 329.435 2.098 10 0 EEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000262694541 152307781 /nfs/dbraw/zinc/30/77/81/152307781.db2.gz AYNBRMHAIBREPD-HNNXBMFYSA-N 2 2 329.435 2.098 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122871451 292276778 /nfs/dbraw/zinc/27/67/78/292276778.db2.gz IGVKUYSEGRSGIR-ZBFHGGJFSA-N 2 2 328.416 2.413 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122871451 292276781 /nfs/dbraw/zinc/27/67/81/292276781.db2.gz IGVKUYSEGRSGIR-ZBFHGGJFSA-N 2 2 328.416 2.413 10 0 EEAELP Cc1ccc2[nH+]cc(CN3CCN(C[C@H]4CCCC[N@H+]4C)CC3)n2c1 ZINC000093148411 159230261 /nfs/dbraw/zinc/23/02/61/159230261.db2.gz YNYDZICBVKFTMR-GOSISDBHSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1ccc2[nH+]cc(CN3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)n2c1 ZINC000093148411 159230264 /nfs/dbraw/zinc/23/02/64/159230264.db2.gz YNYDZICBVKFTMR-GOSISDBHSA-N 2 2 341.503 2.245 10 0 EEAELP CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000190505344 160161817 /nfs/dbraw/zinc/16/18/17/160161817.db2.gz PCPKTJACYZONJW-MRXNPFEDSA-N 2 2 336.480 2.011 10 0 EEAELP CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000190505344 160161819 /nfs/dbraw/zinc/16/18/19/160161819.db2.gz PCPKTJACYZONJW-MRXNPFEDSA-N 2 2 336.480 2.011 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@@H]2C1 ZINC000193638137 160184917 /nfs/dbraw/zinc/18/49/17/160184917.db2.gz YTXDKVIHCMBQMO-BFQNTYOBSA-N 2 2 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2.488 10 0 EEAELP CCC[N@H+](CC)CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000175776496 464623566 /nfs/dbraw/zinc/62/35/66/464623566.db2.gz SZSNCXIZEKYZGY-UHFFFAOYSA-N 2 2 335.496 2.343 10 0 EEAELP CCC[N@@H+](CC)CCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000175776496 464623572 /nfs/dbraw/zinc/62/35/72/464623572.db2.gz SZSNCXIZEKYZGY-UHFFFAOYSA-N 2 2 335.496 2.343 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246882903 464630240 /nfs/dbraw/zinc/63/02/40/464630240.db2.gz IGVKUYSEGRSGIR-GOEBONIOSA-N 2 2 328.416 2.413 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246882903 464630247 /nfs/dbraw/zinc/63/02/47/464630247.db2.gz IGVKUYSEGRSGIR-GOEBONIOSA-N 2 2 328.416 2.413 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)on1 ZINC000275343963 464771095 /nfs/dbraw/zinc/77/10/95/464771095.db2.gz SCNBWWLUGULBPR-AWEZNQCLSA-N 2 2 343.431 2.252 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)on1 ZINC000275343963 464771100 /nfs/dbraw/zinc/77/11/00/464771100.db2.gz SCNBWWLUGULBPR-AWEZNQCLSA-N 2 2 343.431 2.252 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266775716 464818250 /nfs/dbraw/zinc/81/82/50/464818250.db2.gz TXKUEVPIVDIXFI-UHFFFAOYSA-N 2 2 342.443 2.256 10 0 EEAELP CCc1ccc(C[NH+]2CCN(CC[N@@H+]3CCO[C@@H](C)C3)CC2)s1 ZINC000192744300 464989327 /nfs/dbraw/zinc/98/93/27/464989327.db2.gz YGMFVMPPXZHDPW-INIZCTEOSA-N 2 2 337.533 2.149 10 0 EEAELP CCc1ccc(C[NH+]2CCN(CC[N@H+]3CCO[C@@H](C)C3)CC2)s1 ZINC000192744300 464989333 /nfs/dbraw/zinc/98/93/33/464989333.db2.gz YGMFVMPPXZHDPW-INIZCTEOSA-N 2 2 337.533 2.149 10 0 EEAELP Cc1cncc(/C=C/C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000359974621 465514268 /nfs/dbraw/zinc/51/42/68/465514268.db2.gz AOBKZHZYTJWTCS-PXPVJAHISA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cncc(/C=C/C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000359974621 465514269 /nfs/dbraw/zinc/51/42/69/465514269.db2.gz AOBKZHZYTJWTCS-PXPVJAHISA-N 2 2 342.487 2.030 10 0 EEAELP Cc1ccn2cc(CNC(=O)NCC[N@H+]3CCCC[C@H]3C)[nH+]c2c1 ZINC000298902807 465537476 /nfs/dbraw/zinc/53/74/76/465537476.db2.gz AYRMVDIDINDOBZ-OAHLLOKOSA-N 2 2 329.448 2.316 10 0 EEAELP Cc1ccn2cc(CNC(=O)NCC[N@@H+]3CCCC[C@H]3C)[nH+]c2c1 ZINC000298902807 465537480 /nfs/dbraw/zinc/53/74/80/465537480.db2.gz AYRMVDIDINDOBZ-OAHLLOKOSA-N 2 2 329.448 2.316 10 0 EEAELP COC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)C1CC1 ZINC000348360027 465565562 /nfs/dbraw/zinc/56/55/62/465565562.db2.gz BXIYSCZFYJDKBU-PXAZEXFGSA-N 2 2 328.416 2.418 10 0 EEAELP CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000366392823 465698757 /nfs/dbraw/zinc/69/87/57/465698757.db2.gz AYYMQIJJCXIICW-MRXNPFEDSA-N 2 2 348.472 2.057 10 0 EEAELP CS(=O)(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000366392823 465698764 /nfs/dbraw/zinc/69/87/64/465698764.db2.gz AYYMQIJJCXIICW-MRXNPFEDSA-N 2 2 348.472 2.057 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000353331100 465804865 /nfs/dbraw/zinc/80/48/65/465804865.db2.gz MXBKKTYDQAULJK-UHFFFAOYSA-N 2 2 338.411 2.157 10 0 EEAELP C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340249363 465921248 /nfs/dbraw/zinc/92/12/48/465921248.db2.gz GPPGWGLAKLQULA-BEFAXECRSA-N 2 2 344.503 2.245 10 0 EEAELP Cc1nnc([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000338279359 465977725 /nfs/dbraw/zinc/97/77/25/465977725.db2.gz YPKACUFQBKGHNF-NTQSIJHJSA-N 2 2 335.521 2.150 10 0 EEAELP Cc1nnc([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000338279359 465977731 /nfs/dbraw/zinc/97/77/31/465977731.db2.gz YPKACUFQBKGHNF-NTQSIJHJSA-N 2 2 335.521 2.150 10 0 EEAELP CC(C)C(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000353571110 465985884 /nfs/dbraw/zinc/98/58/84/465985884.db2.gz ONYJKZNAVJGSPH-UHFFFAOYSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@@H]1C[N@@H+]([C@H](CNc2cc[nH+]cc2C(N)=O)c2cccs2)CCO1 ZINC000302007524 466078655 /nfs/dbraw/zinc/07/86/55/466078655.db2.gz AWRLOBBFHQAICU-IUODEOHRSA-N 2 2 346.456 2.116 10 0 EEAELP C[C@@H]1C[N@H+]([C@H](CNc2cc[nH+]cc2C(N)=O)c2cccs2)CCO1 ZINC000302007524 466078665 /nfs/dbraw/zinc/07/86/65/466078665.db2.gz AWRLOBBFHQAICU-IUODEOHRSA-N 2 2 346.456 2.116 10 0 EEAELP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372169913 466201997 /nfs/dbraw/zinc/20/19/97/466201997.db2.gz QIUSIKXDYMTKFR-CYBMUJFWSA-N 2 2 341.415 2.326 10 0 EEAELP O[C@@H](Cn1cc[nH+]c1-c1ccncc1)C[N@@H+]1CCc2ccccc2C1 ZINC000304263432 466270650 /nfs/dbraw/zinc/27/06/50/466270650.db2.gz AFKHTWIDSNLTNG-LJQANCHMSA-N 2 2 334.423 2.364 10 0 EEAELP O[C@@H](Cn1cc[nH+]c1-c1ccncc1)C[N@H+]1CCc2ccccc2C1 ZINC000304263432 466270655 /nfs/dbraw/zinc/27/06/55/466270655.db2.gz AFKHTWIDSNLTNG-LJQANCHMSA-N 2 2 334.423 2.364 10 0 EEAELP FC(F)[C@H]1C[NH2+]CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000569457194 468494345 /nfs/dbraw/zinc/49/43/45/468494345.db2.gz UVNDSFTVBGAJJZ-LLVKDONJSA-N 2 2 345.191 2.136 10 0 EEAELP CC(C)(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422698618 466681193 /nfs/dbraw/zinc/68/11/93/466681193.db2.gz ADUZBOZXRBQYSR-UXHICEINSA-N 2 2 343.515 2.180 10 0 EEAELP CC(C)(CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422698618 466681197 /nfs/dbraw/zinc/68/11/97/466681197.db2.gz ADUZBOZXRBQYSR-UXHICEINSA-N 2 2 343.515 2.180 10 0 EEAELP CC(C)(CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422698618 466681200 /nfs/dbraw/zinc/68/12/00/466681200.db2.gz ADUZBOZXRBQYSR-UXHICEINSA-N 2 2 343.515 2.180 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423358691 466726458 /nfs/dbraw/zinc/72/64/58/466726458.db2.gz JSDKSEJPGLBRQH-WWGRRREGSA-N 2 2 325.478 2.097 10 0 EEAELP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000423528089 466766872 /nfs/dbraw/zinc/76/68/72/466766872.db2.gz NSSBUMSUBWIVIZ-MRXNPFEDSA-N 3 2 339.487 2.138 10 0 EEAELP [NH3+]CC[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000417067948 466770467 /nfs/dbraw/zinc/77/04/67/466770467.db2.gz ITRWEWMKFPHTPH-KRWDZBQOSA-N 2 2 341.459 2.202 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423543411 466770598 /nfs/dbraw/zinc/77/05/98/466770598.db2.gz BTQNJSDPNVZVAZ-XJKSGUPXSA-N 2 2 325.478 2.241 10 0 EEAELP CC[NH+](CC)CC1CC[NH+](Cc2ccc(S(C)(=O)=O)o2)CC1 ZINC000411173691 466776862 /nfs/dbraw/zinc/77/68/62/466776862.db2.gz NHJOESVXPLNERZ-UHFFFAOYSA-N 2 2 328.478 2.237 10 0 EEAELP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417939378 466995174 /nfs/dbraw/zinc/99/51/74/466995174.db2.gz KCJZALWBPHSEAZ-KMUNFCNLSA-N 2 2 342.846 2.118 10 0 EEAELP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417939378 466995178 /nfs/dbraw/zinc/99/51/78/466995178.db2.gz KCJZALWBPHSEAZ-KMUNFCNLSA-N 2 2 342.846 2.118 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418591666 467132945 /nfs/dbraw/zinc/13/29/45/467132945.db2.gz NLVZBPLCZYEZAS-HUUCEWRRSA-N 2 2 333.480 2.106 10 0 EEAELP CC(C)c1nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000413586490 467272034 /nfs/dbraw/zinc/27/20/34/467272034.db2.gz PYAGANCPGHGUSY-UHFFFAOYSA-N 2 2 340.471 3.039 10 0 EEAELP Cc1ccc(SCCNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429043090 467295588 /nfs/dbraw/zinc/29/55/88/467295588.db2.gz RUMPGSBECRHZOF-IBGZPJMESA-N 2 2 347.528 2.231 10 0 EEAELP Cc1ccc(SCCNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429043090 467295592 /nfs/dbraw/zinc/29/55/92/467295592.db2.gz RUMPGSBECRHZOF-IBGZPJMESA-N 2 2 347.528 2.231 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429043090 467295596 /nfs/dbraw/zinc/29/55/96/467295596.db2.gz RUMPGSBECRHZOF-IBGZPJMESA-N 2 2 347.528 2.231 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429043090 467295601 /nfs/dbraw/zinc/29/56/01/467295601.db2.gz RUMPGSBECRHZOF-IBGZPJMESA-N 2 2 347.528 2.231 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000414367338 467406431 /nfs/dbraw/zinc/40/64/31/467406431.db2.gz QEXMMDNNQXZPPF-UHFFFAOYSA-N 2 2 342.491 2.240 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000393320127 467430002 /nfs/dbraw/zinc/43/00/02/467430002.db2.gz GTHJZUMOROCZOA-CYZMBNFOSA-N 2 2 327.270 2.193 10 0 EEAELP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000430811935 467467921 /nfs/dbraw/zinc/46/79/21/467467921.db2.gz AMIWGMLHHIBKBM-ZDUSSCGKSA-N 2 2 341.415 2.326 10 0 EEAELP COc1cccc(C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C2CC2)c1 ZINC000453267705 467473675 /nfs/dbraw/zinc/47/36/75/467473675.db2.gz PORREMSLBVKFCC-QUCCMNQESA-N 2 2 332.488 2.453 10 0 EEAELP COc1cccc(C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C2CC2)c1 ZINC000453267705 467473682 /nfs/dbraw/zinc/47/36/82/467473682.db2.gz PORREMSLBVKFCC-QUCCMNQESA-N 2 2 332.488 2.453 10 0 EEAELP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1noc(C[NH3+])n1 ZINC000404340723 467474120 /nfs/dbraw/zinc/47/41/20/467474120.db2.gz SNDMDKWDJQZFTB-RRFJBIMHSA-N 2 2 329.448 2.012 10 0 EEAELP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1noc(C[NH3+])n1 ZINC000404340723 467474125 /nfs/dbraw/zinc/47/41/25/467474125.db2.gz SNDMDKWDJQZFTB-RRFJBIMHSA-N 2 2 329.448 2.012 10 0 EEAELP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1nc2ccccc2o1 ZINC000431598981 467527777 /nfs/dbraw/zinc/52/77/77/467527777.db2.gz DVVZSRLBLYOGIF-UHFFFAOYSA-N 2 2 342.443 2.003 10 0 EEAELP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1nc2ccccc2o1 ZINC000431598981 467527778 /nfs/dbraw/zinc/52/77/78/467527778.db2.gz DVVZSRLBLYOGIF-UHFFFAOYSA-N 2 2 342.443 2.003 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000449389968 467635794 /nfs/dbraw/zinc/63/57/94/467635794.db2.gz FISHECDGCGNOOE-AWEZNQCLSA-N 2 2 334.489 2.210 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000449389968 467635796 /nfs/dbraw/zinc/63/57/96/467635796.db2.gz FISHECDGCGNOOE-AWEZNQCLSA-N 2 2 334.489 2.210 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000449391836 467636582 /nfs/dbraw/zinc/63/65/82/467636582.db2.gz IMLLMFUQCHCUTO-KRWDZBQOSA-N 2 2 342.443 2.205 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000449391836 467636583 /nfs/dbraw/zinc/63/65/83/467636583.db2.gz IMLLMFUQCHCUTO-KRWDZBQOSA-N 2 2 342.443 2.205 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)ccc1OC(C)C ZINC000449395082 467637258 /nfs/dbraw/zinc/63/72/58/467637258.db2.gz PMBBEJOSVMHIAB-QGZVFWFLSA-N 2 2 336.476 2.419 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)ccc1OC(C)C ZINC000449395082 467637262 /nfs/dbraw/zinc/63/72/62/467637262.db2.gz PMBBEJOSVMHIAB-QGZVFWFLSA-N 2 2 336.476 2.419 10 0 EEAELP CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449396845 467638211 /nfs/dbraw/zinc/63/82/11/467638211.db2.gz SYZJZGOVTIOQNK-KRWDZBQOSA-N 2 2 336.476 2.420 10 0 EEAELP CCCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449396845 467638215 /nfs/dbraw/zinc/63/82/15/467638215.db2.gz SYZJZGOVTIOQNK-KRWDZBQOSA-N 2 2 336.476 2.420 10 0 EEAELP C[N@H+](CCN1CCCC[C@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000450461465 467854565 /nfs/dbraw/zinc/85/45/65/467854565.db2.gz VRTYWKSXLMVENS-FQEVSTJZSA-N 2 2 331.504 2.305 10 0 EEAELP C[N@@H+](CCN1CCCC[C@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000450461465 467854567 /nfs/dbraw/zinc/85/45/67/467854567.db2.gz VRTYWKSXLMVENS-FQEVSTJZSA-N 2 2 331.504 2.305 10 0 EEAELP C/C=C\c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000516645959 468039200 /nfs/dbraw/zinc/03/92/00/468039200.db2.gz YAZWQZKECAIWCX-JCBPLVBSSA-N 2 2 334.460 2.152 10 0 EEAELP C/C=C\c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2C)c(OC)c1 ZINC000516645959 468039202 /nfs/dbraw/zinc/03/92/02/468039202.db2.gz YAZWQZKECAIWCX-JCBPLVBSSA-N 2 2 334.460 2.152 10 0 EEAELP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000518760142 468124776 /nfs/dbraw/zinc/12/47/76/468124776.db2.gz LTXGDVIKMPEIPR-HOTGVXAUSA-N 2 2 329.444 2.222 10 0 EEAELP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000518760142 468124778 /nfs/dbraw/zinc/12/47/78/468124778.db2.gz LTXGDVIKMPEIPR-HOTGVXAUSA-N 2 2 329.444 2.222 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000569577218 468512212 /nfs/dbraw/zinc/51/22/12/468512212.db2.gz KSKJFWLXYZRUGS-HNAYVOBHSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000569577218 468512216 /nfs/dbraw/zinc/51/22/16/468512216.db2.gz KSKJFWLXYZRUGS-HNAYVOBHSA-N 2 2 331.460 2.488 10 0 EEAELP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000582648873 468571961 /nfs/dbraw/zinc/57/19/61/468571961.db2.gz HUTRZHMSUBYNCA-GJZGRUSLSA-N 2 2 333.480 2.077 10 0 EEAELP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000582648873 468571966 /nfs/dbraw/zinc/57/19/66/468571966.db2.gz HUTRZHMSUBYNCA-GJZGRUSLSA-N 2 2 333.480 2.077 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000594614234 468636819 /nfs/dbraw/zinc/63/68/19/468636819.db2.gz KMMDBAZXDCRZSB-HKUYNNGSSA-N 2 2 338.492 2.341 10 0 EEAELP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1n1cccn1 ZINC000583645780 468734153 /nfs/dbraw/zinc/73/41/53/468734153.db2.gz NNVCYBIRLHRZIQ-ZHALLVOQSA-N 2 2 341.459 2.255 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000571223142 468757283 /nfs/dbraw/zinc/75/72/83/468757283.db2.gz RNIFTDIAMRKQDQ-CHWSQXEVSA-N 2 2 346.397 2.447 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1C ZINC000601334975 468831007 /nfs/dbraw/zinc/83/10/07/468831007.db2.gz PMFPTEIDEAMIOS-DOTOQJQBSA-N 2 2 344.459 2.025 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1C ZINC000601334975 468831011 /nfs/dbraw/zinc/83/10/11/468831011.db2.gz PMFPTEIDEAMIOS-DOTOQJQBSA-N 2 2 344.459 2.025 10 0 EEAELP CC[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H](C)[S@@]1=O ZINC000561962688 468913376 /nfs/dbraw/zinc/91/33/76/468913376.db2.gz DVUGEITYERLAGZ-IWBYOKNISA-N 2 2 332.473 2.307 10 0 EEAELP CC[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H](C)[S@@]1=O ZINC000561962688 468913380 /nfs/dbraw/zinc/91/33/80/468913380.db2.gz DVUGEITYERLAGZ-IWBYOKNISA-N 2 2 332.473 2.307 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000588292701 469137340 /nfs/dbraw/zinc/13/73/40/469137340.db2.gz QXZZTMSRLQKWKZ-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP Cc1cnc(CC[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000563061412 469156201 /nfs/dbraw/zinc/15/62/01/469156201.db2.gz IBHRZPMEERKRPB-ICSRJNTNSA-N 2 2 330.520 2.199 10 0 EEAELP Cc1cnc(CC[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000563061412 469156205 /nfs/dbraw/zinc/15/62/05/469156205.db2.gz IBHRZPMEERKRPB-ICSRJNTNSA-N 2 2 330.520 2.199 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000573709365 469191125 /nfs/dbraw/zinc/19/11/25/469191125.db2.gz XCDXZIJPSDCSAC-ILXRZTDVSA-N 2 2 342.443 2.354 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000573709365 469191130 /nfs/dbraw/zinc/19/11/30/469191130.db2.gz XCDXZIJPSDCSAC-ILXRZTDVSA-N 2 2 342.443 2.354 10 0 EEAELP C[C@@H](c1nccc(N)n1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574463400 469274266 /nfs/dbraw/zinc/27/42/66/469274266.db2.gz UTTJHUYCLHTYPS-UONOGXRCSA-N 2 2 326.448 2.532 10 0 EEAELP C[C@@H](c1nccc(N)n1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574463400 469274267 /nfs/dbraw/zinc/27/42/67/469274267.db2.gz UTTJHUYCLHTYPS-UONOGXRCSA-N 2 2 326.448 2.532 10 0 EEAELP Cc1ccccc1CO[C@H](C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000625993490 469461313 /nfs/dbraw/zinc/46/13/13/469461313.db2.gz ZJPMOJXRCLHQIN-QGZVFWFLSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629389577 469529721 /nfs/dbraw/zinc/52/97/21/469529721.db2.gz OEYAJQATBAZRAM-UHFFFAOYSA-N 2 2 337.427 2.017 10 0 EEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629512159 469569901 /nfs/dbraw/zinc/56/99/01/469569901.db2.gz BKGRJYCBZKZJGL-ADSMDIBLSA-N 2 2 344.377 2.278 10 0 EEAELP C[C@@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000617013280 469571433 /nfs/dbraw/zinc/57/14/33/469571433.db2.gz PXKDRMDIJZOBGI-MAUKXSAKSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000617013280 469571437 /nfs/dbraw/zinc/57/14/37/469571437.db2.gz PXKDRMDIJZOBGI-MAUKXSAKSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC000617013280 469571441 /nfs/dbraw/zinc/57/14/41/469571441.db2.gz PXKDRMDIJZOBGI-MAUKXSAKSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC000617013280 469571445 /nfs/dbraw/zinc/57/14/45/469571445.db2.gz PXKDRMDIJZOBGI-MAUKXSAKSA-N 2 2 329.488 2.422 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cnc2n1 ZINC000629657212 469600596 /nfs/dbraw/zinc/60/05/96/469600596.db2.gz UYFWSXVQKAETJA-JSGCOSHPSA-N 2 2 341.381 2.305 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cnc2n1 ZINC000629657212 469600599 /nfs/dbraw/zinc/60/05/99/469600599.db2.gz UYFWSXVQKAETJA-JSGCOSHPSA-N 2 2 341.381 2.305 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1F ZINC000617766012 469797719 /nfs/dbraw/zinc/79/77/19/469797719.db2.gz ZCFPTMMSAXNQPY-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1F ZINC000617766012 469797722 /nfs/dbraw/zinc/79/77/22/469797722.db2.gz ZCFPTMMSAXNQPY-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000617766392 469797786 /nfs/dbraw/zinc/79/77/86/469797786.db2.gz IUYBMOOCRKUTCM-GOEBONIOSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000617766392 469797787 /nfs/dbraw/zinc/79/77/87/469797787.db2.gz IUYBMOOCRKUTCM-GOEBONIOSA-N 2 2 339.430 2.068 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000627160752 469829113 /nfs/dbraw/zinc/82/91/13/469829113.db2.gz LXCSLAJHUZGUTD-HYVNUMGLSA-N 2 2 345.491 2.249 10 0 EEAELP O=C1[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCN1C1CCC1 ZINC000624341487 469910951 /nfs/dbraw/zinc/91/09/51/469910951.db2.gz MMYOSZGAUPCZSV-IBGZPJMESA-N 2 2 327.472 2.394 10 0 EEAELP Cc1[nH+]ccc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)c1Cl ZINC000624708652 470006380 /nfs/dbraw/zinc/00/63/80/470006380.db2.gz VFKRCNBUBCJIDG-OAHLLOKOSA-N 2 2 332.835 2.173 10 0 EEAELP Cc1[nH+]ccc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)c1Cl ZINC000624708652 470006384 /nfs/dbraw/zinc/00/63/84/470006384.db2.gz VFKRCNBUBCJIDG-OAHLLOKOSA-N 2 2 332.835 2.173 10 0 EEAELP COc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC1CC1 ZINC000628351921 470095713 /nfs/dbraw/zinc/09/57/13/470095713.db2.gz SACYLWGSHINFED-KRWDZBQOSA-N 2 2 346.471 2.267 10 0 EEAELP COc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1OC1CC1 ZINC000628351921 470095715 /nfs/dbraw/zinc/09/57/15/470095715.db2.gz SACYLWGSHINFED-KRWDZBQOSA-N 2 2 346.471 2.267 10 0 EEAELP Cc1cc(C(F)F)oc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625518952 470159625 /nfs/dbraw/zinc/15/96/25/470159625.db2.gz GMHLGIXAVOXVPE-GFCCVEGCSA-N 2 2 341.402 2.424 10 0 EEAELP Cc1cc(C(F)F)oc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625518952 470159628 /nfs/dbraw/zinc/15/96/28/470159628.db2.gz GMHLGIXAVOXVPE-GFCCVEGCSA-N 2 2 341.402 2.424 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(C)CCC(F)(F)CC3)C2)CC1 ZINC000625523133 470160315 /nfs/dbraw/zinc/16/03/15/470160315.db2.gz ZKKQIBFWLZBHDL-CQSZACIVSA-N 2 2 343.462 2.487 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(C)CCC(F)(F)CC3)C2)CC1 ZINC000625523133 470160317 /nfs/dbraw/zinc/16/03/17/470160317.db2.gz ZKKQIBFWLZBHDL-CQSZACIVSA-N 2 2 343.462 2.487 10 0 EEAELP Cn1c2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2oc1=O ZINC000631830290 470186096 /nfs/dbraw/zinc/18/60/96/470186096.db2.gz OJNWTXBVNCLPIJ-NWDGAFQWSA-N 2 2 343.349 2.091 10 0 EEAELP Cn1c2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2oc1=O ZINC000631830290 470186097 /nfs/dbraw/zinc/18/60/97/470186097.db2.gz OJNWTXBVNCLPIJ-NWDGAFQWSA-N 2 2 343.349 2.091 10 0 EEAELP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2cc(C)cc(Br)c2C1 ZINC000631834801 470186411 /nfs/dbraw/zinc/18/64/11/470186411.db2.gz FUJRUJRWGJVMDK-OAHLLOKOSA-N 2 2 327.266 2.086 10 0 EEAELP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2cc(C)cc(Br)c2C1 ZINC000631834801 470186412 /nfs/dbraw/zinc/18/64/12/470186412.db2.gz FUJRUJRWGJVMDK-OAHLLOKOSA-N 2 2 327.266 2.086 10 0 EEAELP C[C@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000631842446 470187017 /nfs/dbraw/zinc/18/70/17/470187017.db2.gz AMQLNNQDBLHONR-CMPLNLGQSA-N 2 2 341.249 2.247 10 0 EEAELP C[C@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000631842446 470187018 /nfs/dbraw/zinc/18/70/18/470187018.db2.gz AMQLNNQDBLHONR-CMPLNLGQSA-N 2 2 341.249 2.247 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCCc1ccc(Cl)cc1 ZINC000631886899 470189534 /nfs/dbraw/zinc/18/95/34/470189534.db2.gz MXLZZUIQDIHZSK-NVXWUHKLSA-N 2 2 335.879 2.073 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCCc1ccc(Cl)cc1 ZINC000631886899 470189535 /nfs/dbraw/zinc/18/95/35/470189535.db2.gz MXLZZUIQDIHZSK-NVXWUHKLSA-N 2 2 335.879 2.073 10 0 EEAELP CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000632216671 470208393 /nfs/dbraw/zinc/20/83/93/470208393.db2.gz KYPWWXPNBVXHQL-JKSUJKDBSA-N 2 2 326.444 2.356 10 0 EEAELP CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000632216671 470208394 /nfs/dbraw/zinc/20/83/94/470208394.db2.gz KYPWWXPNBVXHQL-JKSUJKDBSA-N 2 2 326.444 2.356 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000648722758 470325496 /nfs/dbraw/zinc/32/54/96/470325496.db2.gz JCAITKVCHSUONB-AWEZNQCLSA-N 2 2 325.416 2.403 10 0 EEAELP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641870641 470505792 /nfs/dbraw/zinc/50/57/92/470505792.db2.gz XPIWFLZHFNVNHA-AATRIKPKSA-N 2 2 341.459 2.460 10 0 EEAELP CCCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000633552750 470507290 /nfs/dbraw/zinc/50/72/90/470507290.db2.gz QZACFAMCMFNYAJ-SFHVURJKSA-N 2 2 326.444 2.358 10 0 EEAELP CCCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000633552750 470507296 /nfs/dbraw/zinc/50/72/96/470507296.db2.gz QZACFAMCMFNYAJ-SFHVURJKSA-N 2 2 326.444 2.358 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633608596 470529719 /nfs/dbraw/zinc/52/97/19/470529719.db2.gz IFIBEDFBPADAPP-MRXNPFEDSA-N 2 2 326.444 2.404 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633608596 470529722 /nfs/dbraw/zinc/52/97/22/470529722.db2.gz IFIBEDFBPADAPP-MRXNPFEDSA-N 2 2 326.444 2.404 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1 ZINC000649587809 470634907 /nfs/dbraw/zinc/63/49/07/470634907.db2.gz SKVFAFWSYCQXPW-VQIMIIECSA-N 2 2 334.508 2.446 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1 ZINC000649587809 470634914 /nfs/dbraw/zinc/63/49/14/470634914.db2.gz SKVFAFWSYCQXPW-VQIMIIECSA-N 2 2 334.508 2.446 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC(C4(O)CC4)CC3)c2cc1C ZINC000649674208 470662950 /nfs/dbraw/zinc/66/29/50/470662950.db2.gz LGDYNCJNYUBOJK-KRWDZBQOSA-N 2 2 343.471 2.251 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)s1 ZINC000635588884 470667335 /nfs/dbraw/zinc/66/73/35/470667335.db2.gz PZKLZPATTNTSAA-HZPDHXFCSA-N 2 2 344.484 2.482 10 0 EEAELP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000643440769 470699581 /nfs/dbraw/zinc/69/95/81/470699581.db2.gz PZKDUIPSHUCJQM-CABCVRRESA-N 2 2 331.460 2.089 10 0 EEAELP Cc1ccn2cc(CNC(=O)NCCC[N@@H+](C)CC(C)C)[nH+]c2c1 ZINC000650722227 470951547 /nfs/dbraw/zinc/95/15/47/470951547.db2.gz NLCFRCPLFAHBSD-UHFFFAOYSA-N 2 2 331.464 2.420 10 0 EEAELP Cc1ccn2cc(CNC(=O)NCCC[N@H+](C)CC(C)C)[nH+]c2c1 ZINC000650722227 470951552 /nfs/dbraw/zinc/95/15/52/470951552.db2.gz NLCFRCPLFAHBSD-UHFFFAOYSA-N 2 2 331.464 2.420 10 0 EEAELP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650780845 470965070 /nfs/dbraw/zinc/96/50/70/470965070.db2.gz GBYCHEPPCGPJQL-NVXWUHKLSA-N 2 2 343.475 2.343 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647899760 471011291 /nfs/dbraw/zinc/01/12/91/471011291.db2.gz VOLTYZQPLXNVCY-HOCLYGCPSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647899760 471011298 /nfs/dbraw/zinc/01/12/98/471011298.db2.gz VOLTYZQPLXNVCY-HOCLYGCPSA-N 2 2 347.459 2.106 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(F)c1 ZINC000651028011 471027997 /nfs/dbraw/zinc/02/79/97/471027997.db2.gz BSCFGDMBGBAOHO-QGZVFWFLSA-N 2 2 344.434 2.320 10 0 EEAELP CC(C)(C)n1nnc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000657297937 471088187 /nfs/dbraw/zinc/08/81/87/471088187.db2.gz QKLUGGQAQOUXGK-UHFFFAOYSA-N 2 2 328.464 2.314 10 0 EEAELP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000645220399 471181361 /nfs/dbraw/zinc/18/13/61/471181361.db2.gz DQSNBTRZWXHALJ-IRXDYDNUSA-N 2 2 345.487 2.036 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccccc1F ZINC000652122337 471239222 /nfs/dbraw/zinc/23/92/22/471239222.db2.gz RXIRWNKYNYCOLQ-HNNXBMFYSA-N 2 2 345.422 2.077 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCCn4nccc43)c2cc1C ZINC000657917936 471248133 /nfs/dbraw/zinc/24/81/33/471248133.db2.gz MKDDESBSCBXXAT-CVEARBPZSA-N 2 2 339.443 2.335 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000655054992 471258659 /nfs/dbraw/zinc/25/86/59/471258659.db2.gz VUSNSNHUNPHZOE-JKSUJKDBSA-N 2 2 330.476 2.267 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000655054992 471258661 /nfs/dbraw/zinc/25/86/61/471258661.db2.gz VUSNSNHUNPHZOE-JKSUJKDBSA-N 2 2 330.476 2.267 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C[C@H]1C[NH3+] ZINC000652358005 471278899 /nfs/dbraw/zinc/27/88/99/471278899.db2.gz XIBSWHGEHVBSBX-WOSRLPQWSA-N 2 2 339.867 2.271 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cc(Cl)ccc2C)C[C@H]1C[NH3+] ZINC000652358005 471278901 /nfs/dbraw/zinc/27/89/01/471278901.db2.gz XIBSWHGEHVBSBX-WOSRLPQWSA-N 2 2 339.867 2.271 10 0 EEAELP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000658340851 471290446 /nfs/dbraw/zinc/29/04/46/471290446.db2.gz FCNLINUQSZUVSZ-UFYCRDLUSA-N 2 2 331.504 2.207 10 0 EEAELP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000658340851 471290449 /nfs/dbraw/zinc/29/04/49/471290449.db2.gz FCNLINUQSZUVSZ-UFYCRDLUSA-N 2 2 331.504 2.207 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(Cl)cc1 ZINC000663402574 471359532 /nfs/dbraw/zinc/35/95/32/471359532.db2.gz KGHFHHYSWYWGCG-UHFFFAOYSA-N 2 2 326.872 2.023 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(Cl)cc1 ZINC000663402574 471359539 /nfs/dbraw/zinc/35/95/39/471359539.db2.gz KGHFHHYSWYWGCG-UHFFFAOYSA-N 2 2 326.872 2.023 10 0 EEAELP COc1cc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c(C2CC2)cc1Cl ZINC000655529681 471367275 /nfs/dbraw/zinc/36/72/75/471367275.db2.gz WTOWEAGOJMKLFU-ZDUSSCGKSA-N 2 2 325.840 2.444 10 0 EEAELP COc1cc2cc[nH+]c(N[C@@H](C)CN3CC[NH+](C)CC3)c2cc1OC ZINC000663571777 471432307 /nfs/dbraw/zinc/43/23/07/471432307.db2.gz LVVRADJJEUCCKK-AWEZNQCLSA-N 2 2 344.459 2.300 10 0 EEAELP COc1cc2cc[nH+]c(N[C@@H](C)C[NH+]3CCN(C)CC3)c2cc1OC ZINC000663571777 471432315 /nfs/dbraw/zinc/43/23/15/471432315.db2.gz LVVRADJJEUCCKK-AWEZNQCLSA-N 2 2 344.459 2.300 10 0 EEAELP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000660667970 471438775 /nfs/dbraw/zinc/43/87/75/471438775.db2.gz CCCWRAGCEJBGEE-DOTOQJQBSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000660667970 471438780 /nfs/dbraw/zinc/43/87/80/471438780.db2.gz CCCWRAGCEJBGEE-DOTOQJQBSA-N 2 2 341.459 2.445 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)s1 ZINC000653116933 471496876 /nfs/dbraw/zinc/49/68/76/471496876.db2.gz YXRWDCONSYZYBI-MSOLQXFVSA-N 2 2 347.528 2.485 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2oc(-c3ccccc3)cc2C1 ZINC000653198298 471531241 /nfs/dbraw/zinc/53/12/41/471531241.db2.gz RADFUBHYAOUBGD-MRXNPFEDSA-N 2 2 327.428 2.110 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000669544298 471544006 /nfs/dbraw/zinc/54/40/06/471544006.db2.gz YBXFQAKZGUXVCV-LYOOOYLASA-N 2 2 340.830 2.038 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000669544298 471544012 /nfs/dbraw/zinc/54/40/12/471544012.db2.gz YBXFQAKZGUXVCV-LYOOOYLASA-N 2 2 340.830 2.038 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000669653879 471585352 /nfs/dbraw/zinc/58/53/52/471585352.db2.gz DKAVRACSLXBTNX-CVEARBPZSA-N 2 2 345.491 2.203 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000669653879 471585361 /nfs/dbraw/zinc/58/53/61/471585361.db2.gz DKAVRACSLXBTNX-CVEARBPZSA-N 2 2 345.491 2.203 10 0 EEAELP CN(CC1C[NH+](C)C1)C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000661248250 471687860 /nfs/dbraw/zinc/68/78/60/471687860.db2.gz MWMDPSLWHDVVPS-UHFFFAOYSA-N 2 2 347.850 2.229 10 0 EEAELP C[C@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)c1[nH+]ccn1C ZINC000659628797 471704435 /nfs/dbraw/zinc/70/44/35/471704435.db2.gz RXLGNORTEYXCNJ-MAZHCROVSA-N 2 2 345.422 2.147 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC3CC(C)(C)C3)CC2)CC1 ZINC000667314029 471731909 /nfs/dbraw/zinc/73/19/09/471731909.db2.gz HKNGIDLXPRXMLP-UHFFFAOYSA-N 2 2 336.524 2.377 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC3CC(C)(C)C3)CC2)CC1 ZINC000667314029 471731912 /nfs/dbraw/zinc/73/19/12/471731912.db2.gz HKNGIDLXPRXMLP-UHFFFAOYSA-N 2 2 336.524 2.377 10 0 EEAELP O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1 ZINC000667533615 471813345 /nfs/dbraw/zinc/81/33/45/471813345.db2.gz YAVSRYRUFIPJDN-LJQANCHMSA-N 2 2 347.422 2.331 10 0 EEAELP O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1 ZINC000667533615 471813346 /nfs/dbraw/zinc/81/33/46/471813346.db2.gz YAVSRYRUFIPJDN-LJQANCHMSA-N 2 2 347.422 2.331 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690199 471853713 /nfs/dbraw/zinc/85/37/13/471853713.db2.gz OKHKAQLZJLWIHB-IAGOWNOFSA-N 2 2 348.466 2.190 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CCF)C1 ZINC000661690199 471853716 /nfs/dbraw/zinc/85/37/16/471853716.db2.gz OKHKAQLZJLWIHB-IAGOWNOFSA-N 2 2 348.466 2.190 10 0 EEAELP CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000667666597 471859733 /nfs/dbraw/zinc/85/97/33/471859733.db2.gz SDUFZGBKNMYSLE-ZWKOTPCHSA-N 2 2 342.443 2.019 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660339551 471949925 /nfs/dbraw/zinc/94/99/25/471949925.db2.gz JFEHOUSTVDQQJG-INIZCTEOSA-N 2 2 345.491 2.354 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660339551 471949928 /nfs/dbraw/zinc/94/99/28/471949928.db2.gz JFEHOUSTVDQQJG-INIZCTEOSA-N 2 2 345.491 2.354 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC2(COC2)C1 ZINC000662072710 471976005 /nfs/dbraw/zinc/97/60/05/471976005.db2.gz NTYGTMQZVHSVDM-CYBMUJFWSA-N 2 2 326.400 2.126 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC2(COC2)C1 ZINC000662072710 471976009 /nfs/dbraw/zinc/97/60/09/471976009.db2.gz NTYGTMQZVHSVDM-CYBMUJFWSA-N 2 2 326.400 2.126 10 0 EEAELP c1ccc(-c2nnc([C@H]3CCC[N@H+]3C[C@H]3CCC4(C[NH2+]C4)O3)[nH]2)cc1 ZINC000662279048 472054524 /nfs/dbraw/zinc/05/45/24/472054524.db2.gz FGGAKSIGHNQQBT-HZPDHXFCSA-N 2 2 339.443 2.130 10 0 EEAELP c1ccc(-c2nnc([C@H]3CCC[N@@H+]3C[C@H]3CCC4(C[NH2+]C4)O3)[nH]2)cc1 ZINC000662279048 472054530 /nfs/dbraw/zinc/05/45/30/472054530.db2.gz FGGAKSIGHNQQBT-HZPDHXFCSA-N 2 2 339.443 2.130 10 0 EEAELP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319618 472068628 /nfs/dbraw/zinc/06/86/28/472068628.db2.gz PAQSWTWQHGKFBP-DLBZAZTESA-N 2 2 333.476 2.365 10 0 EEAELP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319618 472068634 /nfs/dbraw/zinc/06/86/34/472068634.db2.gz PAQSWTWQHGKFBP-DLBZAZTESA-N 2 2 333.476 2.365 10 0 EEAELP C[C@@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)c1[nH+]ccn1C ZINC000665604080 472107621 /nfs/dbraw/zinc/10/76/21/472107621.db2.gz WRPPPMCIOALGGX-CYBMUJFWSA-N 2 2 331.420 2.243 10 0 EEAELP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[C@H]1F ZINC000662748782 472234322 /nfs/dbraw/zinc/23/43/22/472234322.db2.gz GIBJWGNKOXLCSL-DJIMGWMZSA-N 2 2 348.466 2.391 10 0 EEAELP CO[C@H](C)c1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665949367 472248092 /nfs/dbraw/zinc/24/80/92/472248092.db2.gz PFIYKBKKCZWCAU-OAHLLOKOSA-N 2 2 336.480 2.399 10 0 EEAELP CO[C@H](C)c1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665949367 472248100 /nfs/dbraw/zinc/24/81/00/472248100.db2.gz PFIYKBKKCZWCAU-OAHLLOKOSA-N 2 2 336.480 2.399 10 0 EEAELP COCCCOc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668741637 472249427 /nfs/dbraw/zinc/24/94/27/472249427.db2.gz WSQWDWWFNYJVBO-IBGZPJMESA-N 2 2 348.487 2.133 10 0 EEAELP COCCCOc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668741637 472249434 /nfs/dbraw/zinc/24/94/34/472249434.db2.gz WSQWDWWFNYJVBO-IBGZPJMESA-N 2 2 348.487 2.133 10 0 EEAELP Cn1cc[nH+]c1C[C@H](Nc1nc2c(cnn2C)c(N)[nH+]1)c1ccccc1 ZINC000683458398 485535056 /nfs/dbraw/zinc/53/50/56/485535056.db2.gz DJWDOSVRXWQMKU-AWEZNQCLSA-N 2 2 348.414 2.075 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000629571505 485736415 /nfs/dbraw/zinc/73/64/15/485736415.db2.gz NKJQFWYKSAGTCB-UHFFFAOYSA-N 2 2 328.460 2.029 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000629571505 485736421 /nfs/dbraw/zinc/73/64/21/485736421.db2.gz NKJQFWYKSAGTCB-UHFFFAOYSA-N 2 2 328.460 2.029 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000671625891 485954677 /nfs/dbraw/zinc/95/46/77/485954677.db2.gz PIEVSPBBSRXTSR-SJCJKPOMSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000671625891 485954685 /nfs/dbraw/zinc/95/46/85/485954685.db2.gz PIEVSPBBSRXTSR-SJCJKPOMSA-N 2 2 328.416 2.106 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)C3CC[NH+](C)CC3)c2cc1C ZINC000678586476 486646103 /nfs/dbraw/zinc/64/61/03/486646103.db2.gz HJFAZQVUQVUTSE-SJLPKXTDSA-N 3 2 344.503 2.334 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC000074156199 490590643 /nfs/dbraw/zinc/59/06/43/490590643.db2.gz QLOMURUMLSBTCJ-KRWDZBQOSA-N 2 2 326.444 2.162 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000446713925 535637314 /nfs/dbraw/zinc/63/73/14/535637314.db2.gz BYIAZQLAEVVCSY-FXAWDEMLSA-N 2 2 329.488 2.203 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000446713925 535637323 /nfs/dbraw/zinc/63/73/23/535637323.db2.gz BYIAZQLAEVVCSY-FXAWDEMLSA-N 2 2 329.488 2.203 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000738159975 578001858 /nfs/dbraw/zinc/00/18/58/578001858.db2.gz VJTHRTHDQHHEHX-INIZCTEOSA-N 2 2 339.399 2.314 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000738159975 578001859 /nfs/dbraw/zinc/00/18/59/578001859.db2.gz VJTHRTHDQHHEHX-INIZCTEOSA-N 2 2 339.399 2.314 10 0 EEAELP C[C@@H](CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[S@](C)=O ZINC000773062195 577313437 /nfs/dbraw/zinc/31/34/37/577313437.db2.gz BACXOQLUKXLOHA-WNSKOXEYSA-N 2 2 337.533 2.468 10 0 EEAELP C/C(=C\C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(F)c1 ZINC000748749485 577966405 /nfs/dbraw/zinc/96/64/05/577966405.db2.gz AMIUQAFXNHFQAB-FYWRMAATSA-N 2 2 333.451 2.371 10 0 EEAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000924900225 681338705 /nfs/dbraw/zinc/33/87/05/681338705.db2.gz BDEJDALGEQITOR-SUMWQHHRSA-N 2 2 337.439 2.125 10 0 EEAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000924900225 681338708 /nfs/dbraw/zinc/33/87/08/681338708.db2.gz BDEJDALGEQITOR-SUMWQHHRSA-N 2 2 337.439 2.125 10 0 EEAELP CCC1([NH+]2CCC2)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000899558532 693791424 /nfs/dbraw/zinc/79/14/24/693791424.db2.gz OEKDWJUVTZJBET-UHFFFAOYSA-N 2 2 339.443 2.358 10 0 EEAELP CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000895322672 684488436 /nfs/dbraw/zinc/48/84/36/684488436.db2.gz VRAJGISUSGIBJE-SJORKVTESA-N 2 2 327.472 2.298 10 0 EEAELP CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000895322672 684488440 /nfs/dbraw/zinc/48/84/40/684488440.db2.gz VRAJGISUSGIBJE-SJORKVTESA-N 2 2 327.472 2.298 10 0 EEAELP Brc1cnc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000895408122 684590605 /nfs/dbraw/zinc/59/06/05/684590605.db2.gz OOBYNILUEFIPLA-UHFFFAOYSA-N 2 2 348.248 2.393 10 0 EEAELP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000895438619 684600774 /nfs/dbraw/zinc/60/07/74/684600774.db2.gz HTCZDCJHNZVHRC-UONOGXRCSA-N 2 2 330.419 2.381 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC(C)(C)CO2)CC1 ZINC000895528940 684632953 /nfs/dbraw/zinc/63/29/53/684632953.db2.gz CLNOPWLGMJGGJV-INIZCTEOSA-N 2 2 326.481 2.199 10 0 EEAELP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H]1CCCOC1 ZINC000895662303 684676049 /nfs/dbraw/zinc/67/60/49/684676049.db2.gz DIHPRLVKGOSNTF-NVXWUHKLSA-N 2 2 326.481 2.199 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000895809348 684727500 /nfs/dbraw/zinc/72/75/00/684727500.db2.gz JRJQHKUTTYXKFY-KRWDZBQOSA-N 2 2 338.492 2.343 10 0 EEAELP c1ccc(N2CCC([NH2+]Cc3nc4c(s3)COCC4)CC2)[nH+]c1 ZINC000927116749 693289660 /nfs/dbraw/zinc/28/96/60/693289660.db2.gz KFNOVVNVANOIHC-UHFFFAOYSA-N 2 2 330.457 2.369 10 0 EEAELP CCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001485556967 1191835054 /nfs/dbraw/zinc/83/50/54/1191835054.db2.gz YIAVFGXPAWNGRI-HKUYNNGSSA-N 2 2 348.491 2.328 10 0 EEAELP CCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001485556967 1191835055 /nfs/dbraw/zinc/83/50/55/1191835055.db2.gz YIAVFGXPAWNGRI-HKUYNNGSSA-N 2 2 348.491 2.328 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001485684524 1191896493 /nfs/dbraw/zinc/89/64/93/1191896493.db2.gz DSJVYRJDDLYQCJ-CZIWCDLHSA-N 2 2 330.407 2.166 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001485684524 1191896495 /nfs/dbraw/zinc/89/64/95/1191896495.db2.gz DSJVYRJDDLYQCJ-CZIWCDLHSA-N 2 2 330.407 2.166 10 0 EEAELP CC(C)CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001266414441 1176505592 /nfs/dbraw/zinc/50/55/92/1176505592.db2.gz BZMYEJGUHKQFDJ-AEFFLSMTSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCC(F)(F)F ZINC001691050955 1177447674 /nfs/dbraw/zinc/44/76/74/1177447674.db2.gz SQNWJWJJKDSBOS-AWEZNQCLSA-N 2 2 346.397 2.457 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H]1CC[N@H+]1CCCCC(F)(F)F ZINC001691050955 1177447678 /nfs/dbraw/zinc/44/76/78/1177447678.db2.gz SQNWJWJJKDSBOS-AWEZNQCLSA-N 2 2 346.397 2.457 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001691090014 1177559204 /nfs/dbraw/zinc/55/92/04/1177559204.db2.gz ZLVCFBDHUUJIIR-HNNXBMFYSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001691090014 1177559211 /nfs/dbraw/zinc/55/92/11/1177559211.db2.gz ZLVCFBDHUUJIIR-HNNXBMFYSA-N 2 2 347.850 2.021 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001691147326 1177639326 /nfs/dbraw/zinc/63/93/26/1177639326.db2.gz TYOWSOGIGOBJRA-MPGHIAIKSA-N 2 2 347.507 2.465 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001691147326 1177639332 /nfs/dbraw/zinc/63/93/32/1177639332.db2.gz TYOWSOGIGOBJRA-MPGHIAIKSA-N 2 2 347.507 2.465 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001691472652 1178906925 /nfs/dbraw/zinc/90/69/25/1178906925.db2.gz AQVCKLCPWBEXDR-CALCHBBNSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]CCc2ccccc2F)c[nH+]1 ZINC001267390309 1178954239 /nfs/dbraw/zinc/95/42/39/1178954239.db2.gz MPPYIRKUTOLOBO-UHFFFAOYSA-N 2 2 346.450 2.356 10 0 EEAELP O=C(NC[C@@H]([NH2+]CCCF)c1ccccc1)[C@H]1CCc2c[nH+]cn2C1 ZINC001267519598 1179245879 /nfs/dbraw/zinc/24/58/79/1179245879.db2.gz FJGNIVDOWKFYGJ-FUHWJXTLSA-N 2 2 344.434 2.252 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001267531880 1179282086 /nfs/dbraw/zinc/28/20/86/1179282086.db2.gz BMLQONNHUDLCEW-ZACQAIPSSA-N 2 2 348.466 2.261 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001267531880 1179282089 /nfs/dbraw/zinc/28/20/89/1179282089.db2.gz BMLQONNHUDLCEW-ZACQAIPSSA-N 2 2 348.466 2.261 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](CCC(F)(F)F)C2CC2)c[nH+]1 ZINC001481174872 1179989883 /nfs/dbraw/zinc/98/98/83/1179989883.db2.gz WKJIEDRSPUXTOR-UHFFFAOYSA-N 2 2 346.397 2.460 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](CCC(F)(F)F)C2CC2)c[nH+]1 ZINC001481174872 1179989887 /nfs/dbraw/zinc/98/98/87/1179989887.db2.gz WKJIEDRSPUXTOR-UHFFFAOYSA-N 2 2 346.397 2.460 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001481290439 1180894194 /nfs/dbraw/zinc/89/41/94/1180894194.db2.gz KHRZBIXDQBVWFM-INIZCTEOSA-N 2 2 328.460 2.453 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001481290439 1180894208 /nfs/dbraw/zinc/89/42/08/1180894208.db2.gz KHRZBIXDQBVWFM-INIZCTEOSA-N 2 2 328.460 2.453 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]CC[C@@H]3CCCO3)ccn12 ZINC001267984752 1180919860 /nfs/dbraw/zinc/91/98/60/1180919860.db2.gz ACIPEXJPARJQGW-YOEHRIQHSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H](CCNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)on1 ZINC001481451770 1181386696 /nfs/dbraw/zinc/38/66/96/1181386696.db2.gz SEKCJXQFGNIQOA-HZPDHXFCSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H](CCNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)on1 ZINC001481451770 1181386702 /nfs/dbraw/zinc/38/67/02/1181386702.db2.gz SEKCJXQFGNIQOA-HZPDHXFCSA-N 2 2 345.447 2.159 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCc1ccccc1 ZINC001481827391 1182757357 /nfs/dbraw/zinc/75/73/57/1182757357.db2.gz ZHTVNDSCINVIQH-MSOLQXFVSA-N 2 2 340.471 2.173 10 0 EEAELP CC(C)C[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268559839 1183255851 /nfs/dbraw/zinc/25/58/51/1183255851.db2.gz GYGUHVXVMHPQIS-PPPANMTLSA-N 2 2 332.492 2.390 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CCC1CCCC1 ZINC001482118889 1183361117 /nfs/dbraw/zinc/36/11/17/1183361117.db2.gz QYMNUPGXTSOJLY-NVXWUHKLSA-N 2 2 332.492 2.368 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC=C(Cl)Cl ZINC001482141480 1183457639 /nfs/dbraw/zinc/45/76/39/1183457639.db2.gz DLPULWVMKTWVGZ-IJLUTSLNSA-N 2 2 345.274 2.185 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268708202 1183626382 /nfs/dbraw/zinc/62/63/82/1183626382.db2.gz ZCZUFFSONONBJZ-ZRMMWKCHSA-N 2 2 332.835 2.413 10 0 EEAELP Cc1ncc(C[NH2+]CCCN(C)C(=O)c2cccc3[nH+]ccn32)s1 ZINC001268808289 1183727720 /nfs/dbraw/zinc/72/77/20/1183727720.db2.gz CEOHHMUFPCTJLI-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001268852558 1183766388 /nfs/dbraw/zinc/76/63/88/1183766388.db2.gz RBMIBVLIEVSXCN-QZTJIDSGSA-N 2 2 340.471 2.470 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001269192057 1184047699 /nfs/dbraw/zinc/04/76/99/1184047699.db2.gz KKLKHPSANHGFPX-OAHLLOKOSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001269192057 1184047704 /nfs/dbraw/zinc/04/77/04/1184047704.db2.gz KKLKHPSANHGFPX-OAHLLOKOSA-N 2 2 339.430 2.387 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)sn1 ZINC001270437375 1185098431 /nfs/dbraw/zinc/09/84/31/1185098431.db2.gz ZIKNIKYJSZHGNE-NSHDSACASA-N 2 2 343.456 2.484 10 0 EEAELP C[C@@H](C[NH2+]Cc1nsc2ccccc12)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271226246 1186091161 /nfs/dbraw/zinc/09/11/61/1186091161.db2.gz HALUJHLEZNTSCS-ZDUSSCGKSA-N 2 2 343.456 2.130 10 0 EEAELP CN(CC[N@H+](C)CCC[C@@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001482613228 1187393841 /nfs/dbraw/zinc/39/38/41/1187393841.db2.gz CFVXVWQVULYTFC-MRXNPFEDSA-N 2 2 344.459 2.155 10 0 EEAELP CN(CC[N@@H+](C)CCC[C@@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001482613228 1187393846 /nfs/dbraw/zinc/39/38/46/1187393846.db2.gz CFVXVWQVULYTFC-MRXNPFEDSA-N 2 2 344.459 2.155 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001482687419 1187662760 /nfs/dbraw/zinc/66/27/60/1187662760.db2.gz XXBLLWBTTHJWQV-HOTGVXAUSA-N 2 2 332.473 2.409 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH+]cn1C ZINC001482962636 1187896984 /nfs/dbraw/zinc/89/69/84/1187896984.db2.gz OSJMWSTXQJFIPH-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C(C)C)n1)C(=O)Cc1c[nH+]cn1C ZINC001482964017 1187899429 /nfs/dbraw/zinc/89/94/29/1187899429.db2.gz WMPQFIQPCNVIGL-UHFFFAOYSA-N 2 2 343.475 2.119 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)CCc1c[nH]c[nH+]1 ZINC001483017882 1188004915 /nfs/dbraw/zinc/00/49/15/1188004915.db2.gz RPGRHFYGGRAYRI-IHWYPQMZSA-N 2 2 330.407 2.252 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)CCc1c[nH+]c[nH]1 ZINC001483017882 1188004917 /nfs/dbraw/zinc/00/49/17/1188004917.db2.gz RPGRHFYGGRAYRI-IHWYPQMZSA-N 2 2 330.407 2.252 10 0 EEAELP Cc1cccc(C)c1C[NH2+]C/C=C\CNC(=O)CCc1[nH+]ccn1C ZINC001483036625 1188061394 /nfs/dbraw/zinc/06/13/94/1188061394.db2.gz HTHUZHOKIOZXAW-PLNGDYQASA-N 2 2 340.471 2.432 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001691625323 1188400294 /nfs/dbraw/zinc/40/02/94/1188400294.db2.gz GCMWHQOQXCQEMN-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001483077189 1188436924 /nfs/dbraw/zinc/43/69/24/1188436924.db2.gz HUCLYOSKSTWYKP-UIIMQBOASA-N 2 2 326.391 2.040 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001485894018 1193632318 /nfs/dbraw/zinc/63/23/18/1193632318.db2.gz MQGGDVAFLFKFLQ-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483234075 1189692631 /nfs/dbraw/zinc/69/26/31/1189692631.db2.gz DHULNMBKZWBUJN-ZDUSSCGKSA-N 2 2 334.851 2.333 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483234075 1189692635 /nfs/dbraw/zinc/69/26/35/1189692635.db2.gz DHULNMBKZWBUJN-ZDUSSCGKSA-N 2 2 334.851 2.333 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483476859 1190498616 /nfs/dbraw/zinc/49/86/16/1190498616.db2.gz KLXFFVMLJKJEIV-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001486124509 1193688661 /nfs/dbraw/zinc/68/86/61/1193688661.db2.gz QNYRITSSXBVDLE-VQIMIIECSA-N 2 2 340.471 2.472 10 0 EEAELP Cc1conc1C[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001409825056 1190656717 /nfs/dbraw/zinc/65/67/17/1190656717.db2.gz IYWMAXZKQWTJLJ-RDJZCZTQSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001409825056 1190656718 /nfs/dbraw/zinc/65/67/18/1190656718.db2.gz IYWMAXZKQWTJLJ-RDJZCZTQSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001409825056 1190656720 /nfs/dbraw/zinc/65/67/20/1190656720.db2.gz IYWMAXZKQWTJLJ-RDJZCZTQSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001409825056 1190656721 /nfs/dbraw/zinc/65/67/21/1190656721.db2.gz IYWMAXZKQWTJLJ-RDJZCZTQSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1nc(C[NH+]2CCCCC[C@@H]2CNC(=O)C[N@@H+](C)C2CCC2)co1 ZINC001409832453 1190664530 /nfs/dbraw/zinc/66/45/30/1190664530.db2.gz YFPVFYWHNAKIHL-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[NH+]2CCCCC[C@@H]2CNC(=O)C[N@H+](C)C2CCC2)co1 ZINC001409832453 1190664534 /nfs/dbraw/zinc/66/45/34/1190664534.db2.gz YFPVFYWHNAKIHL-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@H+]2CCCCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)co1 ZINC001409832453 1190664537 /nfs/dbraw/zinc/66/45/37/1190664537.db2.gz YFPVFYWHNAKIHL-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)co1 ZINC001409832453 1190664538 /nfs/dbraw/zinc/66/45/38/1190664538.db2.gz YFPVFYWHNAKIHL-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc2c(c1)CCC2 ZINC001483664354 1190724257 /nfs/dbraw/zinc/72/42/57/1190724257.db2.gz PTORHEIAGBZTBE-IBGZPJMESA-N 2 2 338.455 2.071 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc2c(c1)CCC2 ZINC001483664354 1190724259 /nfs/dbraw/zinc/72/42/59/1190724259.db2.gz PTORHEIAGBZTBE-IBGZPJMESA-N 2 2 338.455 2.071 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)ccc1C ZINC001483680639 1190741627 /nfs/dbraw/zinc/74/16/27/1190741627.db2.gz FQQDFDKWYZJWRY-YJBOKZPZSA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[N@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)ccc1C ZINC001483680639 1190741629 /nfs/dbraw/zinc/74/16/29/1190741629.db2.gz FQQDFDKWYZJWRY-YJBOKZPZSA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[NH+]2CC[C@H]2CNC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001483680639 1190741631 /nfs/dbraw/zinc/74/16/31/1190741631.db2.gz FQQDFDKWYZJWRY-YJBOKZPZSA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)ccc1C ZINC001483680639 1190741632 /nfs/dbraw/zinc/74/16/32/1190741632.db2.gz FQQDFDKWYZJWRY-YJBOKZPZSA-N 2 2 345.487 2.036 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC001483784337 1191026374 /nfs/dbraw/zinc/02/63/74/1191026374.db2.gz SENFNULHWLSDCE-UHFFFAOYSA-N 2 2 338.455 2.279 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC001483782656 1191035262 /nfs/dbraw/zinc/03/52/62/1191035262.db2.gz CYDVBIUWLANMSW-SFHVURJKSA-N 2 2 338.455 2.279 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCF)C1 ZINC001483803040 1191044875 /nfs/dbraw/zinc/04/48/75/1191044875.db2.gz YSGGWEPZMHYOFK-IRXDYDNUSA-N 2 2 336.455 2.336 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1[C@H]1CC[N@H+](CCF)C1 ZINC001483803040 1191044880 /nfs/dbraw/zinc/04/48/80/1191044880.db2.gz YSGGWEPZMHYOFK-IRXDYDNUSA-N 2 2 336.455 2.336 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483809892 1191054532 /nfs/dbraw/zinc/05/45/32/1191054532.db2.gz APOOCZSBSAKCAR-YYIAUSFCSA-N 2 2 346.475 2.005 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483809892 1191054533 /nfs/dbraw/zinc/05/45/33/1191054533.db2.gz APOOCZSBSAKCAR-YYIAUSFCSA-N 2 2 346.475 2.005 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483809892 1191054534 /nfs/dbraw/zinc/05/45/34/1191054534.db2.gz APOOCZSBSAKCAR-YYIAUSFCSA-N 2 2 346.475 2.005 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483809892 1191054535 /nfs/dbraw/zinc/05/45/35/1191054535.db2.gz APOOCZSBSAKCAR-YYIAUSFCSA-N 2 2 346.475 2.005 10 0 EEAELP C[C@H](CC(=O)N(C)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001483881292 1191105534 /nfs/dbraw/zinc/10/55/34/1191105534.db2.gz DWENUYHMHHUZQD-ZIAGYGMSSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001483947521 1191127240 /nfs/dbraw/zinc/12/72/40/1191127240.db2.gz SGQXFZTYHHQUEP-DGCLKSJQSA-N 2 2 332.370 2.121 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001483947521 1191127241 /nfs/dbraw/zinc/12/72/41/1191127241.db2.gz SGQXFZTYHHQUEP-DGCLKSJQSA-N 2 2 332.370 2.121 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001484113768 1191214229 /nfs/dbraw/zinc/21/42/29/1191214229.db2.gz ISYMVCJEYFHIGC-RDTXWAMCSA-N 2 2 345.447 2.159 10 0 EEAELP CC(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484197033 1191268459 /nfs/dbraw/zinc/26/84/59/1191268459.db2.gz ZPMVPBBWVRMSKR-CYBMUJFWSA-N 2 2 328.407 2.072 10 0 EEAELP CC(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001484197033 1191268461 /nfs/dbraw/zinc/26/84/61/1191268461.db2.gz ZPMVPBBWVRMSKR-CYBMUJFWSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001484379137 1191321543 /nfs/dbraw/zinc/32/15/43/1191321543.db2.gz ZHPPPGWGAWNHHZ-QWYBNYMASA-N 2 2 338.455 2.350 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001484616969 1191443619 /nfs/dbraw/zinc/44/36/19/1191443619.db2.gz VKXYZJOTEBQQQD-DLRQWSEHSA-N 2 2 336.867 2.169 10 0 EEAELP CCOCC[NH2+]C1(CC)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001484815970 1191534801 /nfs/dbraw/zinc/53/48/01/1191534801.db2.gz CATLEAJHKYZXFV-MRXNPFEDSA-N 2 2 336.480 2.232 10 0 EEAELP CCC1([NH2+]Cc2ocnc2C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484819378 1191539464 /nfs/dbraw/zinc/53/94/64/1191539464.db2.gz NOYSZSKQFRTEAC-UHFFFAOYSA-N 2 2 345.447 2.118 10 0 EEAELP CCCCOCC[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484928926 1191574332 /nfs/dbraw/zinc/57/43/32/1191574332.db2.gz NOAOPQNMXJVEQE-UHFFFAOYSA-N 2 2 336.480 2.048 10 0 EEAELP Cc1cccn2cc(CC(=O)NC3CC(C[NH2+]C/C=C\Cl)C3)[nH+]c12 ZINC001485105324 1191656095 /nfs/dbraw/zinc/65/60/95/1191656095.db2.gz SETPQXKCNJNRTJ-HYXAFXHYSA-N 2 2 346.862 2.422 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001485209921 1191694568 /nfs/dbraw/zinc/69/45/68/1191694568.db2.gz LEHZXEILDYGKSO-WDEREUQCSA-N 2 2 338.814 2.428 10 0 EEAELP CCOCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001486231479 1193747957 /nfs/dbraw/zinc/74/79/57/1193747957.db2.gz MGAVWGRXKKBVLS-MRXNPFEDSA-N 2 2 344.459 2.119 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)CCn1cc[nH+]c1 ZINC001486406907 1193914611 /nfs/dbraw/zinc/91/46/11/1193914611.db2.gz DVDUFIKBMGDTCS-GFCCVEGCSA-N 2 2 334.386 2.346 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)Cn1cc[nH+]c1 ZINC001486421519 1193935538 /nfs/dbraw/zinc/93/55/38/1193935538.db2.gz DENBYPYXNYYQQQ-LLVKDONJSA-N 2 2 333.263 2.323 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccn(C(C)C)n2)CC1)[NH+](C)C ZINC001486515763 1194036134 /nfs/dbraw/zinc/03/61/34/1194036134.db2.gz PMICLCDJQIAIAV-SFHVURJKSA-N 2 2 347.507 2.053 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2ccn(C(C)C)n2)CC1)[NH+](C)C ZINC001486515763 1194036138 /nfs/dbraw/zinc/03/61/38/1194036138.db2.gz PMICLCDJQIAIAV-SFHVURJKSA-N 2 2 347.507 2.053 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCc1c[nH+]cn1C ZINC001273150296 1197065030 /nfs/dbraw/zinc/06/50/30/1197065030.db2.gz KPBYYWYLUKUHEM-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP Cc1[nH+]ccn1CCCO[NH+]=C(N)[C@H]1CCC(=O)N(CC2CCC2)C1 ZINC000871770553 1197889318 /nfs/dbraw/zinc/88/93/18/1197889318.db2.gz FNYICGDJKWYWQW-INIZCTEOSA-N 2 2 347.463 2.119 10 0 EEAELP Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)c1 ZINC000872153580 1198060070 /nfs/dbraw/zinc/06/00/70/1198060070.db2.gz LAPCZRNIHDKWMO-ZSZQSSIHSA-N 2 2 331.435 2.171 10 0 EEAELP Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)c1 ZINC000872153580 1198060076 /nfs/dbraw/zinc/06/00/76/1198060076.db2.gz LAPCZRNIHDKWMO-ZSZQSSIHSA-N 2 2 331.435 2.171 10 0 EEAELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865431564 1198213437 /nfs/dbraw/zinc/21/34/37/1198213437.db2.gz MZKMYRVSQAQGLL-UHFFFAOYSA-N 2 2 349.841 2.311 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cccc(Br)n3)C2)CC1 ZINC000865536095 1198264849 /nfs/dbraw/zinc/26/48/49/1198264849.db2.gz TVUVKWYIDJSIDU-LBPRGKRZSA-N 2 2 339.281 2.425 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cccc(Br)n3)C2)CC1 ZINC000865536095 1198264855 /nfs/dbraw/zinc/26/48/55/1198264855.db2.gz TVUVKWYIDJSIDU-LBPRGKRZSA-N 2 2 339.281 2.425 10 0 EEAELP Fc1ncccc1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865549350 1198271232 /nfs/dbraw/zinc/27/12/32/1198271232.db2.gz RLIIGWJKSULMCU-UHFFFAOYSA-N 2 2 345.418 2.222 10 0 EEAELP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1cc(F)ccc1Cl ZINC001493009560 1198378785 /nfs/dbraw/zinc/37/87/85/1198378785.db2.gz NWEOHDJRCBMSEP-UHFFFAOYSA-N 2 2 329.847 2.369 10 0 EEAELP CC[N@@H+](CCNC(=O)CC[NH+](C)C)Cc1cc(F)ccc1Cl ZINC001493009560 1198378789 /nfs/dbraw/zinc/37/87/89/1198378789.db2.gz NWEOHDJRCBMSEP-UHFFFAOYSA-N 2 2 329.847 2.369 10 0 EEAELP Cc1csc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)n1 ZINC001410930902 1198595871 /nfs/dbraw/zinc/59/58/71/1198595871.db2.gz QDPLGDRMJCGDBZ-HUUCEWRRSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1csc(C[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H]2C)n1 ZINC001410930902 1198595872 /nfs/dbraw/zinc/59/58/72/1198595872.db2.gz QDPLGDRMJCGDBZ-HUUCEWRRSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1csc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)n1 ZINC001410930902 1198595878 /nfs/dbraw/zinc/59/58/78/1198595878.db2.gz QDPLGDRMJCGDBZ-HUUCEWRRSA-N 2 2 338.521 2.261 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000810059930 1199228762 /nfs/dbraw/zinc/22/87/62/1199228762.db2.gz FSKAMWASBLLUAU-GOSISDBHSA-N 2 2 336.455 2.091 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000810059930 1199228764 /nfs/dbraw/zinc/22/87/64/1199228764.db2.gz FSKAMWASBLLUAU-GOSISDBHSA-N 2 2 336.455 2.091 10 0 EEAELP CC(C)CN(CC1CC[NH+](C)CC1)c1cc(NC[C@H](C)O)[nH+]cn1 ZINC000866261198 1201479303 /nfs/dbraw/zinc/47/93/03/1201479303.db2.gz OQUUSKDETYFOHP-HNNXBMFYSA-N 2 2 335.496 2.074 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]Cc3ccns3)ccn12 ZINC001274024518 1204332883 /nfs/dbraw/zinc/33/28/83/1204332883.db2.gz IPFXOQHQHGGFMH-NSCUHMNNSA-N 2 2 341.440 2.175 10 0 EEAELP C[C@@H](F)CC[NH2+]C/C=C\CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001274235844 1204970446 /nfs/dbraw/zinc/97/04/46/1204970446.db2.gz JCGAQFYJBHRHGY-MPNWYJEXSA-N 2 2 330.407 2.496 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001275209149 1205282207 /nfs/dbraw/zinc/28/22/07/1205282207.db2.gz PXXAYFDGRIDGKV-WIVVLVHASA-N 2 2 338.455 2.253 10 0 EEAELP CC(C)CCC[NH2+]CC1CC(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001275250297 1205290870 /nfs/dbraw/zinc/29/08/70/1205290870.db2.gz GSBHJGINUZUIEJ-CGZBRXJRSA-N 2 2 332.492 2.366 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CN4C[C@@H]3CCC4)CC2)cc1 ZINC000925149618 1206076528 /nfs/dbraw/zinc/07/65/28/1206076528.db2.gz SMMUHSUXQCKVMT-JXFKEZNVSA-N 2 2 328.504 2.405 10 0 EEAELP COC1(OC)CC[C@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925906524 1206166374 /nfs/dbraw/zinc/16/63/74/1206166374.db2.gz QGVBCESTWNOMNQ-MRXNPFEDSA-N 2 2 334.464 2.175 10 0 EEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929813519 1206504698 /nfs/dbraw/zinc/50/46/98/1206504698.db2.gz KXKNXZSGXHIJER-IYWMVGAKSA-N 2 2 332.488 2.420 10 0 EEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929813519 1206504701 /nfs/dbraw/zinc/50/47/01/1206504701.db2.gz KXKNXZSGXHIJER-IYWMVGAKSA-N 2 2 332.488 2.420 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929813519 1206504703 /nfs/dbraw/zinc/50/47/03/1206504703.db2.gz KXKNXZSGXHIJER-IYWMVGAKSA-N 2 2 332.488 2.420 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929813519 1206504706 /nfs/dbraw/zinc/50/47/06/1206504706.db2.gz KXKNXZSGXHIJER-IYWMVGAKSA-N 2 2 332.488 2.420 10 0 EEAELP COc1cccc(OCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931287517 1206621975 /nfs/dbraw/zinc/62/19/75/1206621975.db2.gz ZOISIXQSSMPDOE-UHFFFAOYSA-N 2 2 334.460 2.261 10 0 EEAELP COc1cccc(OCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)c1 ZINC000931287517 1206621976 /nfs/dbraw/zinc/62/19/76/1206621976.db2.gz ZOISIXQSSMPDOE-UHFFFAOYSA-N 2 2 334.460 2.261 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@@]2(C)C1 ZINC000931313896 1206624116 /nfs/dbraw/zinc/62/41/16/1206624116.db2.gz IALHDVCPIXYCSF-VXGBXAGGSA-N 2 2 330.341 2.474 10 0 EEAELP Nc1cc[nH+]c2c1C[N@H+](C[C@@H](O)COCc1ccccc1Cl)CC2 ZINC000931511968 1207401942 /nfs/dbraw/zinc/40/19/42/1207401942.db2.gz JIFKNLDFAUFURX-CQSZACIVSA-N 2 2 347.846 2.253 10 0 EEAELP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H](O)COCc1ccccc1Cl)CC2 ZINC000931511968 1207401943 /nfs/dbraw/zinc/40/19/43/1207401943.db2.gz JIFKNLDFAUFURX-CQSZACIVSA-N 2 2 347.846 2.253 10 0 EEAELP Cc1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)cn2cc[nH+]c12 ZINC000931553362 1207411364 /nfs/dbraw/zinc/41/13/64/1207411364.db2.gz CLPQYDQYRJKNPR-GJZGRUSLSA-N 2 2 345.472 2.344 10 0 EEAELP Cc1cc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)cn2cc[nH+]c12 ZINC000931553362 1207411365 /nfs/dbraw/zinc/41/13/65/1207411365.db2.gz CLPQYDQYRJKNPR-GJZGRUSLSA-N 2 2 345.472 2.344 10 0 EEAELP COCCOCCOCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000931609344 1207425077 /nfs/dbraw/zinc/42/50/77/1207425077.db2.gz FWTICEIQPISKIN-UHFFFAOYSA-N 2 2 328.497 2.006 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547007 1207785652 /nfs/dbraw/zinc/78/56/52/1207785652.db2.gz JAPOLUVLMPWQIP-LJQANCHMSA-N 2 2 330.472 2.414 10 0 EEAELP COC[C@H](CC1CCOCC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903378600 1240346143 /nfs/dbraw/zinc/34/61/43/1240346143.db2.gz QZJNSAFALGGTKH-OALUTQOASA-N 2 2 335.492 2.496 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000903434298 1240460447 /nfs/dbraw/zinc/46/04/47/1240460447.db2.gz ATXZKLCJPATTQL-YPMHNXCESA-N 2 2 345.256 2.238 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000903434298 1240460448 /nfs/dbraw/zinc/46/04/48/1240460448.db2.gz ATXZKLCJPATTQL-YPMHNXCESA-N 2 2 345.256 2.238 10 0 EEAELP c1csc(C2([NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)CCCC2)n1 ZINC000903899799 1242396408 /nfs/dbraw/zinc/39/64/08/1242396408.db2.gz VJOFRJFNWZBHSF-CYBMUJFWSA-N 2 2 332.477 2.218 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001491062396 1258630899 /nfs/dbraw/zinc/63/08/99/1258630899.db2.gz HMLMTHQWTIYDNF-BNOWGMLFSA-N 2 2 347.850 2.074 10 0 EEAELP CCc1nocc1C[NH2+]CCN(CC)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273458026 1278447434 /nfs/dbraw/zinc/44/74/34/1278447434.db2.gz LZSXQFFLXCHKBC-UHFFFAOYSA-N 2 2 341.415 2.365 10 0 EEAELP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001489340616 1290525699 /nfs/dbraw/zinc/52/56/99/1290525699.db2.gz ZIDRXYZIIKFOEG-INIZCTEOSA-N 2 2 348.491 2.317 10 0 EEAELP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC001489340616 1290525709 /nfs/dbraw/zinc/52/57/09/1290525709.db2.gz ZIDRXYZIIKFOEG-INIZCTEOSA-N 2 2 348.491 2.317 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccns1)c1ccccc1 ZINC001490281991 1291111673 /nfs/dbraw/zinc/11/16/73/1291111673.db2.gz OVWQLCJCDDQBQD-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccns1)c1ccccc1 ZINC001490281991 1291111682 /nfs/dbraw/zinc/11/16/82/1291111682.db2.gz OVWQLCJCDDQBQD-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000855417539 1293210703 /nfs/dbraw/zinc/21/07/03/1293210703.db2.gz ITOYBGKIYODOHC-UHFFFAOYSA-N 2 2 333.476 2.013 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000855417539 1293210707 /nfs/dbraw/zinc/21/07/07/1293210707.db2.gz ITOYBGKIYODOHC-UHFFFAOYSA-N 2 2 333.476 2.013 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000862452756 1295851342 /nfs/dbraw/zinc/85/13/42/1295851342.db2.gz NTYUPUXAJBALSP-NVXWUHKLSA-N 2 2 325.497 2.419 10 0 EEAELP COCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001277019214 1300886775 /nfs/dbraw/zinc/88/67/75/1300886775.db2.gz JBNRAUWBAVKHFX-JCNLHEQBSA-N 2 2 342.443 2.007 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001277662855 1304119221 /nfs/dbraw/zinc/11/92/21/1304119221.db2.gz PWLQHWIOAIFYMI-DLBZAZTESA-N 2 2 330.476 2.238 10 0 EEAELP CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278405017 1310084021 /nfs/dbraw/zinc/08/40/21/1310084021.db2.gz KHKHKDGFZKGGEI-FUHWJXTLSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278405017 1310084027 /nfs/dbraw/zinc/08/40/27/1310084027.db2.gz KHKHKDGFZKGGEI-FUHWJXTLSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001278588855 1317286433 /nfs/dbraw/zinc/28/64/33/1317286433.db2.gz KARGPFWYFWVJPW-FQEVSTJZSA-N 2 2 340.471 2.262 10 0 EEAELP COCCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001263832821 1322532077 /nfs/dbraw/zinc/53/20/77/1322532077.db2.gz YWBNBNQCIHVEJX-WOVMCDHWSA-N 2 2 344.459 2.167 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001265626185 1323277865 /nfs/dbraw/zinc/27/78/65/1323277865.db2.gz PQZCAQICXHLDOZ-SBLNNXNXSA-N 2 2 338.455 2.494 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccon1 ZINC001265657748 1323301693 /nfs/dbraw/zinc/30/16/93/1323301693.db2.gz JNOZWBLDUYERJW-SFHVURJKSA-N 2 2 348.491 2.411 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1Cc1ccon1 ZINC001265657748 1323301695 /nfs/dbraw/zinc/30/16/95/1323301695.db2.gz JNOZWBLDUYERJW-SFHVURJKSA-N 2 2 348.491 2.411 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265989993 1323548567 /nfs/dbraw/zinc/54/85/67/1323548567.db2.gz KTVBNXOVLRPDJJ-RYTMFUSVSA-N 2 2 330.476 2.240 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001280094080 1324083048 /nfs/dbraw/zinc/08/30/48/1324083048.db2.gz HEQBXTGMBQULRV-MRXNPFEDSA-N 2 2 331.460 2.261 10 0 EEAELP C[C@@H]([NH2+]CCCCC(F)(F)F)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001282215187 1325653227 /nfs/dbraw/zinc/65/32/27/1325653227.db2.gz AECSWUAUNHHYBL-NEPJUHHUSA-N 2 2 334.386 2.178 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCC[NH2+]C[C@@H]3CCOC3)ccn12 ZINC001283174676 1325944634 /nfs/dbraw/zinc/94/46/34/1325944634.db2.gz YQOQOMPVLFNBHY-HOCLYGCPSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1cnc(C[NH+]2CC=C(CNC(=O)C[N@@H+](C)C3CCC3)CC2)s1 ZINC001284929306 1326780543 /nfs/dbraw/zinc/78/05/43/1326780543.db2.gz UZSOONSSYCDGMM-UHFFFAOYSA-N 2 2 348.516 2.184 10 0 EEAELP Cc1cnc(C[NH+]2CC=C(CNC(=O)C[N@H+](C)C3CCC3)CC2)s1 ZINC001284929306 1326780547 /nfs/dbraw/zinc/78/05/47/1326780547.db2.gz UZSOONSSYCDGMM-UHFFFAOYSA-N 2 2 348.516 2.184 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)C[NH+](C)C3CCC3)CC2)s1 ZINC001284929306 1326780549 /nfs/dbraw/zinc/78/05/49/1326780549.db2.gz UZSOONSSYCDGMM-UHFFFAOYSA-N 2 2 348.516 2.184 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)C[NH+](C)C3CCC3)CC2)s1 ZINC001284929306 1326780551 /nfs/dbraw/zinc/78/05/51/1326780551.db2.gz UZSOONSSYCDGMM-UHFFFAOYSA-N 2 2 348.516 2.184 10 0 EEAELP C[N@H+](CC=C(Cl)Cl)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001491963881 1330358062 /nfs/dbraw/zinc/35/80/62/1330358062.db2.gz RUQWFHUHQVJJIZ-OLZOCXBDSA-N 2 2 334.291 2.180 10 0 EEAELP C[N@@H+](CC=C(Cl)Cl)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001491963881 1330358068 /nfs/dbraw/zinc/35/80/68/1330358068.db2.gz RUQWFHUHQVJJIZ-OLZOCXBDSA-N 2 2 334.291 2.180 10 0 EEAELP C[NH+](CC=C(Cl)Cl)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491963881 1330358075 /nfs/dbraw/zinc/35/80/75/1330358075.db2.gz RUQWFHUHQVJJIZ-OLZOCXBDSA-N 2 2 334.291 2.180 10 0 EEAELP C[NH+](CC=C(Cl)Cl)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491963881 1330358076 /nfs/dbraw/zinc/35/80/76/1330358076.db2.gz RUQWFHUHQVJJIZ-OLZOCXBDSA-N 2 2 334.291 2.180 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[C@H](C)[NH2+]CCOC3CCC3)ccn12 ZINC001492024912 1330451466 /nfs/dbraw/zinc/45/14/66/1330451466.db2.gz ZXPTTWBPDBHQTF-AWEZNQCLSA-N 2 2 344.459 2.310 10 0 EEAELP Cc1cnc([C@H](C)[N@H+](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)cn1 ZINC001492441641 1331255937 /nfs/dbraw/zinc/25/59/37/1331255937.db2.gz MTYMDWSLJFXJPB-IRXDYDNUSA-N 2 2 347.507 2.159 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)cn1 ZINC001492441641 1331255939 /nfs/dbraw/zinc/25/59/39/1331255939.db2.gz MTYMDWSLJFXJPB-IRXDYDNUSA-N 2 2 347.507 2.159 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cccc(F)c1 ZINC001316828344 1331918546 /nfs/dbraw/zinc/91/85/46/1331918546.db2.gz BUZLESFSBZTTHC-HZPDHXFCSA-N 2 2 330.407 2.291 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cccc(F)c1 ZINC001316828344 1331918547 /nfs/dbraw/zinc/91/85/47/1331918547.db2.gz BUZLESFSBZTTHC-HZPDHXFCSA-N 2 2 330.407 2.291 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cccc(F)c1 ZINC001316828344 1331918551 /nfs/dbraw/zinc/91/85/51/1331918551.db2.gz BUZLESFSBZTTHC-HZPDHXFCSA-N 2 2 330.407 2.291 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cccc(F)c1 ZINC001316828344 1331918554 /nfs/dbraw/zinc/91/85/54/1331918554.db2.gz BUZLESFSBZTTHC-HZPDHXFCSA-N 2 2 330.407 2.291 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001317078377 1332071431 /nfs/dbraw/zinc/07/14/31/1332071431.db2.gz NKFZXSXJJDGQER-OTEKMADUSA-N 2 2 330.476 2.355 10 0 EEAELP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317116567 1332085864 /nfs/dbraw/zinc/08/58/64/1332085864.db2.gz YFXNLESTFBUCEG-XAXOSQJESA-N 2 2 330.476 2.429 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C/Cl)no1 ZINC001317188052 1332121586 /nfs/dbraw/zinc/12/15/86/1332121586.db2.gz HEQNVSFODXVFMM-VUDGCMKMSA-N 2 2 340.855 2.073 10 0 EEAELP Cc1cnc([C@H](C)[NH2+][C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001317247749 1332151691 /nfs/dbraw/zinc/15/16/91/1332151691.db2.gz RRLYGJGQWXXDGG-OLZOCXBDSA-N 2 2 338.415 2.130 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)s1 ZINC001317598139 1332317761 /nfs/dbraw/zinc/31/77/61/1332317761.db2.gz NBABBEPOGFWVIB-HUUCEWRRSA-N 2 2 332.473 2.440 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)s1 ZINC001317598139 1332317765 /nfs/dbraw/zinc/31/77/65/1332317765.db2.gz NBABBEPOGFWVIB-HUUCEWRRSA-N 2 2 332.473 2.440 10 0 EEAELP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)n1 ZINC001318557711 1332560702 /nfs/dbraw/zinc/56/07/02/1332560702.db2.gz MHECJBTVHVIMOL-CYBMUJFWSA-N 2 2 335.839 2.006 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]Cc2nccs2)C1 ZINC001318822801 1332604686 /nfs/dbraw/zinc/60/46/86/1332604686.db2.gz UBXJNKUCWZDBOU-OAHLLOKOSA-N 2 2 347.488 2.148 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1ccc(Cl)nc1 ZINC001319203438 1332664935 /nfs/dbraw/zinc/66/49/35/1332664935.db2.gz XJDTYMRNRBSIDT-IACUBPJLSA-N 2 2 347.850 2.104 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]Cc1ccc(Cl)nc1 ZINC001319203438 1332664937 /nfs/dbraw/zinc/66/49/37/1332664937.db2.gz XJDTYMRNRBSIDT-IACUBPJLSA-N 2 2 347.850 2.104 10 0 EEAELP COCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001319695579 1332744142 /nfs/dbraw/zinc/74/41/42/1332744142.db2.gz GNUNQDSYTIGNIZ-HOTGVXAUSA-N 2 2 344.459 2.201 10 0 EEAELP CCN(CC[NH2+]Cc1oc(C(C)C)nc1C)C(=O)Cc1c[nH+]cn1C ZINC001320891403 1332973079 /nfs/dbraw/zinc/97/30/79/1332973079.db2.gz IDTJDYUVWDRYDR-UHFFFAOYSA-N 2 2 347.463 2.021 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCCC2)co1 ZINC001321062266 1333008449 /nfs/dbraw/zinc/00/84/49/1333008449.db2.gz BPPVWFCDIIYHFU-WAYWQWQTSA-N 2 2 334.464 2.010 10 0 EEAELP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)CC[N@@H+]1C ZINC001321063880 1333008806 /nfs/dbraw/zinc/00/88/06/1333008806.db2.gz JIBAVYAKTMHQNR-XMAAMQLLSA-N 2 2 348.491 2.074 10 0 EEAELP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)CC[N@H+]1C ZINC001321063880 1333008810 /nfs/dbraw/zinc/00/88/10/1333008810.db2.gz JIBAVYAKTMHQNR-XMAAMQLLSA-N 2 2 348.491 2.074 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C1C[NH+](CCCCC(F)(F)F)C1)[NH+](C)C ZINC001324003983 1333586590 /nfs/dbraw/zinc/58/65/90/1333586590.db2.gz JXADAMFUXNKEFG-CQSZACIVSA-N 2 2 337.430 2.448 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[NH2+]CC[C@H]2CCCO2)c[nH+]1 ZINC001324180861 1333629741 /nfs/dbraw/zinc/62/97/41/1333629741.db2.gz NAJHIGATAKJCEQ-DLBZAZTESA-N 2 2 348.491 2.076 10 0 EEAELP C[C@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001324752990 1333752809 /nfs/dbraw/zinc/75/28/09/1333752809.db2.gz UBFHVWBVGVLUKF-UXKVHEJNSA-N 2 2 336.867 2.026 10 0 EEAELP C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001325475873 1333893522 /nfs/dbraw/zinc/89/35/22/1333893522.db2.gz MKJOHXLTKISQCD-PKOBYXMFSA-N 2 2 340.471 2.343 10 0 EEAELP 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1334582469 /nfs/dbraw/zinc/58/24/69/1334582469.db2.gz INPOLRHZCAGOJM-UONOGXRCSA-N 2 2 341.415 2.016 10 0 EEAELP C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1C[NH+](CCCCCF)C1 ZINC001330023297 1334763058 /nfs/dbraw/zinc/76/30/58/1334763058.db2.gz ZCNKBXSELUYKCU-HUUCEWRRSA-N 2 2 336.455 2.022 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001332328692 1335804005 /nfs/dbraw/zinc/80/40/05/1335804005.db2.gz MQDYNOVWRLPDFB-OLZOCXBDSA-N 2 2 346.397 2.180 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1cncs1)c1ccccc1 ZINC001479816607 1337398947 /nfs/dbraw/zinc/39/89/47/1337398947.db2.gz VVXWHRMAOOZZED-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)Cc1cncs1)c1ccccc1 ZINC001479816607 1337398950 /nfs/dbraw/zinc/39/89/50/1337398950.db2.gz VVXWHRMAOOZZED-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001432576820 1341333215 /nfs/dbraw/zinc/33/32/15/1341333215.db2.gz 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/nfs/dbraw/zinc/47/39/26/1355473926.db2.gz NDOCHOWWCZDJRY-MRXNPFEDSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC[NH2+]Cc2cncs2)C1 ZINC001666167469 1355473945 /nfs/dbraw/zinc/47/39/45/1355473945.db2.gz KUFXMONOVBCVOS-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1F ZINC001668289522 1355916533 /nfs/dbraw/zinc/91/65/33/1355916533.db2.gz VNQFKZIQFXDTRD-LLVKDONJSA-N 2 2 336.386 2.223 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)CCc1c[nH+]cn1C ZINC001668296180 1355917722 /nfs/dbraw/zinc/91/77/22/1355917722.db2.gz XRVJMEUHQHGETG-CYBMUJFWSA-N 2 2 349.866 2.086 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001668895374 1356038761 /nfs/dbraw/zinc/03/87/61/1356038761.db2.gz YVGITFITWSBWLI-BGYNLAARSA-N 2 2 338.455 2.469 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC/C=C\C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001669039938 1356075286 /nfs/dbraw/zinc/07/52/86/1356075286.db2.gz RMUJSLPNMJVWFC-IYKSTZQJSA-N 2 2 348.491 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/nfs/dbraw/zinc/38/03/10/1405380310.db2.gz RUKBCPXOGIPEFU-UHFFFAOYSA-N 2 2 332.423 2.465 10 0 EEAELP C/C(=C\C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000907955489 784984301 /nfs/dbraw/zinc/98/43/01/784984301.db2.gz WLKFKQYTFMQNDD-DQSGYLJSSA-N 2 2 349.519 2.178 10 0 EEAELP C/C(=C\C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000907955489 784984305 /nfs/dbraw/zinc/98/43/05/784984305.db2.gz WLKFKQYTFMQNDD-DQSGYLJSSA-N 2 2 349.519 2.178 10 0 EEAELP CC[N@@H+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000908142420 785120901 /nfs/dbraw/zinc/12/09/01/785120901.db2.gz LIIGZDMXPAIKIB-INIZCTEOSA-N 2 2 341.459 2.161 10 0 EEAELP CC[N@H+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)[C@@H](C)C1 ZINC000908142420 785120906 /nfs/dbraw/zinc/12/09/06/785120906.db2.gz LIIGZDMXPAIKIB-INIZCTEOSA-N 2 2 341.459 2.161 10 0 EEAELP CC[N@H+](Cc1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1)C(C)C ZINC000585131592 786658606 /nfs/dbraw/zinc/65/86/06/786658606.db2.gz ZWPXEIAXCBMSRV-QGZVFWFLSA-N 2 2 344.459 2.114 10 0 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CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2nocc2C)C1 ZINC001437898801 1090477946 /nfs/dbraw/zinc/47/79/46/1090477946.db2.gz YAKMSDBJMFKDNW-BRWVUGGUSA-N 2 2 348.491 2.136 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001438271088 1090753780 /nfs/dbraw/zinc/75/37/80/1090753780.db2.gz DBNUYRPOJCWJMQ-INIZCTEOSA-N 2 2 332.473 2.376 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001438271088 1090753781 /nfs/dbraw/zinc/75/37/81/1090753781.db2.gz DBNUYRPOJCWJMQ-INIZCTEOSA-N 2 2 332.473 2.376 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCc1ccccc1 ZINC001438331883 1090806125 /nfs/dbraw/zinc/80/61/25/1090806125.db2.gz DCNQWMPNTFOREY-MSOLQXFVSA-N 2 2 340.471 2.173 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001438349211 1090825795 /nfs/dbraw/zinc/82/57/95/1090825795.db2.gz PKCFDFDTACJKQP-BBRMVZONSA-N 2 2 332.423 2.412 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001438349211 1090825798 /nfs/dbraw/zinc/82/57/98/1090825798.db2.gz PKCFDFDTACJKQP-BBRMVZONSA-N 2 2 332.423 2.412 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001438368195 1090844971 /nfs/dbraw/zinc/84/49/71/1090844971.db2.gz LUZPPTSVZUWSAF-CXAGYDPISA-N 2 2 348.397 2.333 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCCC[C@@H]2C)o1 ZINC001438434894 1090936359 /nfs/dbraw/zinc/93/63/59/1090936359.db2.gz ZHBOUVONSNBUMK-UGSOOPFHSA-N 2 2 345.447 2.104 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C)c1 ZINC001445453802 1091218046 /nfs/dbraw/zinc/21/80/46/1091218046.db2.gz KOIINHHYPTUYSF-JKSUJKDBSA-N 2 2 328.460 2.500 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C)c1 ZINC001445453802 1091218054 /nfs/dbraw/zinc/21/80/54/1091218054.db2.gz KOIINHHYPTUYSF-JKSUJKDBSA-N 2 2 328.460 2.500 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1cccc(F)c1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445771081 1091630158 /nfs/dbraw/zinc/63/01/58/1091630158.db2.gz QAXPCLMKFWGCPT-XJKSGUPXSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1cccc(F)c1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001445771081 1091630163 /nfs/dbraw/zinc/63/01/63/1091630163.db2.gz QAXPCLMKFWGCPT-XJKSGUPXSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H](C[NH+](C)Cc1cccc(F)c1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001445771081 1091630169 /nfs/dbraw/zinc/63/01/69/1091630169.db2.gz QAXPCLMKFWGCPT-XJKSGUPXSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H](C[NH+](C)Cc1cccc(F)c1F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445771081 1091630174 /nfs/dbraw/zinc/63/01/74/1091630174.db2.gz QAXPCLMKFWGCPT-XJKSGUPXSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001439132356 1091777286 /nfs/dbraw/zinc/77/72/86/1091777286.db2.gz XHMUUQHTYCLVLQ-TZMCWYRMSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001439400552 1092156162 /nfs/dbraw/zinc/15/61/62/1092156162.db2.gz NDGIPQYXMOKVGP-UGSOOPFHSA-N 2 2 326.444 2.385 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001439400552 1092156163 /nfs/dbraw/zinc/15/61/63/1092156163.db2.gz NDGIPQYXMOKVGP-UGSOOPFHSA-N 2 2 326.444 2.385 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001439413274 1092180995 /nfs/dbraw/zinc/18/09/95/1092180995.db2.gz YAHULBDIXXJTDT-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001439413274 1092180999 /nfs/dbraw/zinc/18/09/99/1092180999.db2.gz YAHULBDIXXJTDT-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001448539527 1093578151 /nfs/dbraw/zinc/57/81/51/1093578151.db2.gz GIDHDAMODHBMOR-MRXNPFEDSA-N 2 2 339.524 2.066 10 0 EEAELP CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001448539527 1093578156 /nfs/dbraw/zinc/57/81/56/1093578156.db2.gz GIDHDAMODHBMOR-MRXNPFEDSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001448606802 1093673781 /nfs/dbraw/zinc/67/37/81/1093673781.db2.gz QVVMKHOKXGHLNG-KDOFPFPSSA-N 2 2 341.459 2.010 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001448606802 1093673785 /nfs/dbraw/zinc/67/37/85/1093673785.db2.gz QVVMKHOKXGHLNG-KDOFPFPSSA-N 2 2 341.459 2.010 10 0 EEAELP CCc1nc(C)c(C[N@H+](C)CCCN(C)C(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001440477529 1093707668 /nfs/dbraw/zinc/70/76/68/1093707668.db2.gz MFJJSGDWERVWAM-UHFFFAOYSA-N 2 2 347.463 2.100 10 0 EEAELP CCc1nc(C)c(C[N@@H+](C)CCCN(C)C(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001440477529 1093707674 /nfs/dbraw/zinc/70/76/74/1093707674.db2.gz MFJJSGDWERVWAM-UHFFFAOYSA-N 2 2 347.463 2.100 10 0 EEAELP C[C@H](F)CC[N@@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001440620613 1093888841 /nfs/dbraw/zinc/88/88/41/1093888841.db2.gz DWNODADJMRBLHT-LSDHHAIUSA-N 2 2 338.471 2.318 10 0 EEAELP C[C@H](F)CC[N@H+]1CC[C@@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001440620613 1093888848 /nfs/dbraw/zinc/88/88/48/1093888848.db2.gz DWNODADJMRBLHT-LSDHHAIUSA-N 2 2 338.471 2.318 10 0 EEAELP CC[C@@H](C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001440724642 1093969359 /nfs/dbraw/zinc/96/93/59/1093969359.db2.gz YCSRJSODMORMKS-LXGCGDOSSA-N 2 2 340.471 2.381 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)cc1F ZINC001440843570 1094100533 /nfs/dbraw/zinc/10/05/33/1094100533.db2.gz QEIQLILSAGAEJK-KBPBESRZSA-N 2 2 332.423 2.093 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]CCc1ccccc1Cl ZINC001440849735 1094108680 /nfs/dbraw/zinc/10/86/80/1094108680.db2.gz NKDDHQLQWSTAMT-CHWSQXEVSA-N 2 2 334.851 2.331 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)C1CCC([NH2+]Cc2cncs2)CC1 ZINC001440861549 1094123776 /nfs/dbraw/zinc/12/37/76/1094123776.db2.gz UHMDFMWRZIRZDG-UHFFFAOYSA-N 2 2 347.488 2.289 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001440952894 1094207681 /nfs/dbraw/zinc/20/76/81/1094207681.db2.gz ZJAOTSZTIKMXCA-GFCCVEGCSA-N 2 2 336.386 2.106 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001440952894 1094207690 /nfs/dbraw/zinc/20/76/90/1094207690.db2.gz ZJAOTSZTIKMXCA-GFCCVEGCSA-N 2 2 336.386 2.106 10 0 EEAELP CC(C)N(CC[N@H+](C)CCc1cccs1)C(=O)Cc1c[nH+]cn1C ZINC001449279968 1094228937 /nfs/dbraw/zinc/22/89/37/1094228937.db2.gz VISRTUPMKJVTCT-UHFFFAOYSA-N 2 2 348.516 2.436 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCc1cccs1)C(=O)Cc1c[nH+]cn1C ZINC001449279968 1094228939 /nfs/dbraw/zinc/22/89/39/1094228939.db2.gz VISRTUPMKJVTCT-UHFFFAOYSA-N 2 2 348.516 2.436 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[N@H+](C)CC1CC(F)(F)C1 ZINC001440981094 1094243388 /nfs/dbraw/zinc/24/33/88/1094243388.db2.gz RVQQWNOYOIMYPQ-NWDGAFQWSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[N@@H+](C)CC1CC(F)(F)C1 ZINC001440981094 1094243394 /nfs/dbraw/zinc/24/33/94/1094243394.db2.gz RVQQWNOYOIMYPQ-NWDGAFQWSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[N@H+](C)CC1CC(F)(F)C1 ZINC001440981094 1094243398 /nfs/dbraw/zinc/24/33/98/1094243398.db2.gz RVQQWNOYOIMYPQ-NWDGAFQWSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[N@@H+](C)CC1CC(F)(F)C1 ZINC001440981094 1094243403 /nfs/dbraw/zinc/24/34/03/1094243403.db2.gz RVQQWNOYOIMYPQ-NWDGAFQWSA-N 2 2 328.407 2.070 10 0 EEAELP CC(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001449371555 1094339731 /nfs/dbraw/zinc/33/97/31/1094339731.db2.gz UTLWSEHIEGJLTN-UONOGXRCSA-N 2 2 346.397 2.298 10 0 EEAELP Cc1ncc(C[NH+]2CC([C@H](C)NC(=O)CCCn3cc[nH+]c3)C2)s1 ZINC001441217486 1094582693 /nfs/dbraw/zinc/58/26/93/1094582693.db2.gz XICBZBCIVAISKF-ZDUSSCGKSA-N 2 2 347.488 2.065 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCc1ccccc1 ZINC001441549002 1095275549 /nfs/dbraw/zinc/27/55/49/1095275549.db2.gz ACCDVOQEUFOTIP-SJLPKXTDSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)cs1 ZINC001441561767 1095314217 /nfs/dbraw/zinc/31/42/17/1095314217.db2.gz SLWKPPLBGWHNSC-XJKSGUPXSA-N 2 2 346.500 2.452 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C\Cl)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001441736848 1095725419 /nfs/dbraw/zinc/72/54/19/1095725419.db2.gz LHRGSPJYXSZOMC-CCIADCFLSA-N 2 2 336.867 2.215 10 0 EEAELP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nccs1)CC2)[NH+](C)C ZINC001441890300 1096023846 /nfs/dbraw/zinc/02/38/46/1096023846.db2.gz XFYWXXHZLREHEZ-KEYYUXOJSA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1nccs1)CC2)[NH+](C)C ZINC001441890300 1096023856 /nfs/dbraw/zinc/02/38/56/1096023856.db2.gz XFYWXXHZLREHEZ-KEYYUXOJSA-N 2 2 336.505 2.097 10 0 EEAELP C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC[C@H]1CCCCO1 ZINC001442431830 1096756580 /nfs/dbraw/zinc/75/65/80/1096756580.db2.gz PJSJKZWHZRAUOI-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC[C@H]1CCCCO1 ZINC001442431830 1096756586 /nfs/dbraw/zinc/75/65/86/1096756586.db2.gz PJSJKZWHZRAUOI-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@H]1CCc2c1c(F)ccc2F ZINC001442462510 1096789274 /nfs/dbraw/zinc/78/92/74/1096789274.db2.gz FYXLTLOFGLRGAU-INIZCTEOSA-N 2 2 348.397 2.205 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@H]1CCc2c1c(F)ccc2F ZINC001442462510 1096789282 /nfs/dbraw/zinc/78/92/82/1096789282.db2.gz FYXLTLOFGLRGAU-INIZCTEOSA-N 2 2 348.397 2.205 10 0 EEAELP Cc1cc(C)c(C(=O)NCC[N@H+](C)CCC[C@H]2CCOC2)c(C)[nH+]1 ZINC001442480237 1096811532 /nfs/dbraw/zinc/81/15/32/1096811532.db2.gz LBXWMFQBUNXMKY-KRWDZBQOSA-N 2 2 333.476 2.485 10 0 EEAELP Cc1cc(C)c(C(=O)NCC[N@@H+](C)CCC[C@H]2CCOC2)c(C)[nH+]1 ZINC001442480237 1096811537 /nfs/dbraw/zinc/81/15/37/1096811537.db2.gz LBXWMFQBUNXMKY-KRWDZBQOSA-N 2 2 333.476 2.485 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001442890978 1097289062 /nfs/dbraw/zinc/28/90/62/1097289062.db2.gz HWVBEFNBLZWUDD-UONOGXRCSA-N 2 2 340.418 2.318 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001442890978 1097289066 /nfs/dbraw/zinc/28/90/66/1097289066.db2.gz HWVBEFNBLZWUDD-UONOGXRCSA-N 2 2 340.418 2.318 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001443216514 1097672034 /nfs/dbraw/zinc/67/20/34/1097672034.db2.gz XGVBQNRDFQERRC-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001443216514 1097672035 /nfs/dbraw/zinc/67/20/35/1097672035.db2.gz XGVBQNRDFQERRC-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001443825821 1098328872 /nfs/dbraw/zinc/32/88/72/1098328872.db2.gz RISVTJYIWBQTHZ-HIFRSBDPSA-N 2 2 347.488 2.332 10 0 EEAELP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001443825821 1098328878 /nfs/dbraw/zinc/32/88/78/1098328878.db2.gz RISVTJYIWBQTHZ-HIFRSBDPSA-N 2 2 347.488 2.332 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccccc1F ZINC001443945915 1098465551 /nfs/dbraw/zinc/46/55/51/1098465551.db2.gz ZSWHZYXEZBBAFB-RRFJBIMHSA-N 2 2 330.407 2.337 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001444027466 1098545470 /nfs/dbraw/zinc/54/54/70/1098545470.db2.gz DTGBYYVVEAVBIT-KRWDZBQOSA-N 2 2 328.460 2.493 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001444034411 1098553453 /nfs/dbraw/zinc/55/34/53/1098553453.db2.gz NEWHHOBSRQSCCH-ZIAGYGMSSA-N 2 2 328.407 2.193 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCc1ccc(C[NH2+]CC2CC2)cc1 ZINC001444203112 1098761184 /nfs/dbraw/zinc/76/11/84/1098761184.db2.gz BXXAFRACGPBDGM-UHFFFAOYSA-N 2 2 339.439 2.449 10 0 EEAELP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)Cc1ccon1 ZINC001479739365 1098853719 /nfs/dbraw/zinc/85/37/19/1098853719.db2.gz WGBUTCDSEUATGF-KRWDZBQOSA-N 2 2 336.480 2.219 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)Cc1ccon1 ZINC001479739365 1098853722 /nfs/dbraw/zinc/85/37/22/1098853722.db2.gz WGBUTCDSEUATGF-KRWDZBQOSA-N 2 2 336.480 2.219 10 0 EEAELP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccon1 ZINC001479739365 1098853731 /nfs/dbraw/zinc/85/37/31/1098853731.db2.gz WGBUTCDSEUATGF-KRWDZBQOSA-N 2 2 336.480 2.219 10 0 EEAELP CCC[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccon1 ZINC001479739365 1098853736 /nfs/dbraw/zinc/85/37/36/1098853736.db2.gz WGBUTCDSEUATGF-KRWDZBQOSA-N 2 2 336.480 2.219 10 0 EEAELP Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001479808752 1099056988 /nfs/dbraw/zinc/05/69/88/1099056988.db2.gz NSEPCORJIDUAFY-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP Cc1cc(F)ccc1C[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001479808752 1099057001 /nfs/dbraw/zinc/05/70/01/1099057001.db2.gz NSEPCORJIDUAFY-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCCCCF)C2)no1 ZINC001479905839 1099293421 /nfs/dbraw/zinc/29/34/21/1099293421.db2.gz CNFWFOKQBMZGPL-AWEZNQCLSA-N 2 2 340.443 2.070 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCCCCF)C2)no1 ZINC001479905839 1099293430 /nfs/dbraw/zinc/29/34/30/1099293430.db2.gz CNFWFOKQBMZGPL-AWEZNQCLSA-N 2 2 340.443 2.070 10 0 EEAELP C[C@@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)c1ccc(F)c(F)c1 ZINC001480068237 1099603487 /nfs/dbraw/zinc/60/34/87/1099603487.db2.gz FJAXAJZOTRIYRL-SJKOYZFVSA-N 2 2 348.397 2.407 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480189717 1099788064 /nfs/dbraw/zinc/78/80/64/1099788064.db2.gz RAAWCEFMMQQQGU-WMZOPIPTSA-N 2 2 348.491 2.000 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480189717 1099788072 /nfs/dbraw/zinc/78/80/72/1099788072.db2.gz RAAWCEFMMQQQGU-WMZOPIPTSA-N 2 2 348.491 2.000 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cccc2cccnc21 ZINC001480481444 1100290177 /nfs/dbraw/zinc/29/01/77/1100290177.db2.gz XFNTUGKZUSEZTO-IAOVAPTHSA-N 2 2 349.438 2.356 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cccc2cccnc21 ZINC001480481444 1100290182 /nfs/dbraw/zinc/29/01/82/1100290182.db2.gz XFNTUGKZUSEZTO-IAOVAPTHSA-N 2 2 349.438 2.356 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(Cl)cc1F)C(=O)C[NH+]1CCCC1 ZINC001445085709 1100300268 /nfs/dbraw/zinc/30/02/68/1100300268.db2.gz PJUSYLDZODAHTI-UHFFFAOYSA-N 2 2 341.858 2.465 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc(Cl)cc1F)C(=O)C[NH+]1CCCC1 ZINC001445085709 1100300276 /nfs/dbraw/zinc/30/02/76/1100300276.db2.gz PJUSYLDZODAHTI-UHFFFAOYSA-N 2 2 341.858 2.465 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001496207128 1100748693 /nfs/dbraw/zinc/74/86/93/1100748693.db2.gz NLVWGUUVDAEYQT-CQSZACIVSA-N 2 2 344.459 2.333 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CCCC2)sn1 ZINC001446514158 1100966191 /nfs/dbraw/zinc/96/61/91/1100966191.db2.gz WXAGEIGUYWIBTF-INIZCTEOSA-N 2 2 347.488 2.113 10 0 EEAELP Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001495682481 1101429881 /nfs/dbraw/zinc/42/98/81/1101429881.db2.gz LKHAMCKFWMUWHW-USXIJHARSA-N 2 2 326.444 2.364 10 0 EEAELP Cc1cccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001495682481 1101429888 /nfs/dbraw/zinc/42/98/88/1101429888.db2.gz LKHAMCKFWMUWHW-USXIJHARSA-N 2 2 326.444 2.364 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CCC[C@H]1CCOC1 ZINC001495705133 1101461894 /nfs/dbraw/zinc/46/18/94/1101461894.db2.gz LYRMZDAJVBQNBE-HOTGVXAUSA-N 2 2 344.459 2.107 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001497216986 1102141139 /nfs/dbraw/zinc/14/11/39/1102141139.db2.gz HKYFSDPYGDVQJZ-AEFFLSMTSA-N 2 2 340.471 2.173 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)Cn1cc[nH+]c1 ZINC001497505877 1102598200 /nfs/dbraw/zinc/59/82/00/1102598200.db2.gz FZBUQEKNUJEARN-KRWDZBQOSA-N 2 2 340.471 2.126 10 0 EEAELP C[C@@H]([NH2+]Cc1sccc1Cl)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001447915771 1103587906 /nfs/dbraw/zinc/58/79/06/1103587906.db2.gz WITYZDCSGBPPKL-ZJUUUORDSA-N 2 2 326.853 2.350 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(F)c(Cl)c1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001447947001 1103666313 /nfs/dbraw/zinc/66/63/13/1103666313.db2.gz UPLPLEHGADRRSG-NEPJUHHUSA-N 2 2 338.814 2.359 10 0 EEAELP Cc1oncc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001448142514 1104093748 /nfs/dbraw/zinc/09/37/48/1104093748.db2.gz ILNYHJNEFVNBNW-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1oncc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001448142514 1104093760 /nfs/dbraw/zinc/09/37/60/1104093760.db2.gz ILNYHJNEFVNBNW-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001494950033 1104593519 /nfs/dbraw/zinc/59/35/19/1104593519.db2.gz PRJQOIODNJXWRD-KBPBESRZSA-N 2 2 336.480 2.051 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001494950033 1104593524 /nfs/dbraw/zinc/59/35/24/1104593524.db2.gz PRJQOIODNJXWRD-KBPBESRZSA-N 2 2 336.480 2.051 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C)nc1C ZINC001495071667 1104711173 /nfs/dbraw/zinc/71/11/73/1104711173.db2.gz HHTJVPJXQDMZAW-SUMWQHHRSA-N 2 2 343.475 2.285 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C)nc1C ZINC001495071667 1104711181 /nfs/dbraw/zinc/71/11/81/1104711181.db2.gz HHTJVPJXQDMZAW-SUMWQHHRSA-N 2 2 343.475 2.285 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498324560 1107293725 /nfs/dbraw/zinc/29/37/25/1107293725.db2.gz SUJQFBIEGNIELB-UKRRQHHQSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498324560 1107293731 /nfs/dbraw/zinc/29/37/31/1107293731.db2.gz SUJQFBIEGNIELB-UKRRQHHQSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@@H](C[N@H+](C)C[C@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336919 1107323133 /nfs/dbraw/zinc/32/31/33/1107323133.db2.gz FFIWUMBCPXMZJR-LSDHHAIUSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@@H](C[N@@H+](C)C[C@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336919 1107323149 /nfs/dbraw/zinc/32/31/49/1107323149.db2.gz FFIWUMBCPXMZJR-LSDHHAIUSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+](CCC(F)(F)F)C2)c[nH+]1 ZINC001493214445 1107697277 /nfs/dbraw/zinc/69/72/77/1107697277.db2.gz OBKJDEJXZIWYBH-CYBMUJFWSA-N 2 2 346.397 2.317 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+](CCC(F)(F)F)C2)c[nH+]1 ZINC001493214445 1107697282 /nfs/dbraw/zinc/69/72/82/1107697282.db2.gz OBKJDEJXZIWYBH-CYBMUJFWSA-N 2 2 346.397 2.317 10 0 EEAELP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498571495 1107741571 /nfs/dbraw/zinc/74/15/71/1107741571.db2.gz IWDCAQHENDJINH-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CC1CCC(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001493602157 1108386660 /nfs/dbraw/zinc/38/66/60/1108386660.db2.gz DZVRLNRWCJLAQV-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCO[C@H]2CC2(F)F)c(C)[nH+]1 ZINC001493634110 1108434487 /nfs/dbraw/zinc/43/44/87/1108434487.db2.gz JUAYOXLOJYRCSX-AWEZNQCLSA-N 2 2 341.402 2.093 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](Cc2ccon2)C(C)C)c[nH+]1 ZINC001493864719 1108757145 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/nfs/dbraw/zinc/17/64/24/1114176424.db2.gz CMBOAOZHDRQCHC-HZPDHXFCSA-N 2 2 344.459 2.098 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cncs1 ZINC001505838844 1114225927 /nfs/dbraw/zinc/22/59/27/1114225927.db2.gz JKUXRNVMZFCDOJ-ZDUSSCGKSA-N 2 2 349.504 2.319 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cncs1 ZINC001505838844 1114225930 /nfs/dbraw/zinc/22/59/30/1114225930.db2.gz JKUXRNVMZFCDOJ-ZDUSSCGKSA-N 2 2 349.504 2.319 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C(C)C)n1 ZINC001505963609 1114304196 /nfs/dbraw/zinc/30/41/96/1114304196.db2.gz UCZSZXAAYQMAFI-HNNXBMFYSA-N 2 2 343.475 2.347 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+](C)Cc1cccc(C(C)C)n1 ZINC001505963609 1114304200 /nfs/dbraw/zinc/30/42/00/1114304200.db2.gz UCZSZXAAYQMAFI-HNNXBMFYSA-N 2 2 343.475 2.347 10 0 EEAELP Cc1conc1C[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001506490979 1114646770 /nfs/dbraw/zinc/64/67/70/1114646770.db2.gz UMMWIBHEECFNAH-HNNXBMFYSA-N 2 2 347.463 2.220 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]C[C@H]2CCCCO2)CCCCC1 ZINC001506517989 1114667816 /nfs/dbraw/zinc/66/78/16/1114667816.db2.gz SPTZIGKRVPUCHZ-QGZVFWFLSA-N 2 2 348.491 2.251 10 0 EEAELP CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001506796408 1114885192 /nfs/dbraw/zinc/88/51/92/1114885192.db2.gz RCLZWNCZXZIUMH-NNZMDNLPSA-N 2 2 345.487 2.363 10 0 EEAELP CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001506796408 1114885194 /nfs/dbraw/zinc/88/51/94/1114885194.db2.gz RCLZWNCZXZIUMH-NNZMDNLPSA-N 2 2 345.487 2.363 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001507093392 1115104406 /nfs/dbraw/zinc/10/44/06/1115104406.db2.gz VVTFWSOREDFJNK-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507321137 1115191236 /nfs/dbraw/zinc/19/12/36/1115191236.db2.gz YTHZCXCLOAAHBW-HIFRSBDPSA-N 2 2 342.443 2.325 10 0 EEAELP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC001507453177 1115278181 /nfs/dbraw/zinc/27/81/81/1115278181.db2.gz BZNBBTSCZBCAKM-KRWDZBQOSA-N 2 2 341.459 2.085 10 0 EEAELP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2csc(C)n2)CC1 ZINC001508226860 1115452881 /nfs/dbraw/zinc/45/28/81/1115452881.db2.gz DHEANEDVOFODPE-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+](Cc2csc(C)n2)CC1 ZINC001508226860 1115452883 /nfs/dbraw/zinc/45/28/83/1115452883.db2.gz DHEANEDVOFODPE-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CC[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001508226860 1115452885 /nfs/dbraw/zinc/45/28/85/1115452885.db2.gz DHEANEDVOFODPE-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2csc(C)n2)CC1 ZINC001508226860 1115452887 /nfs/dbraw/zinc/45/28/87/1115452887.db2.gz DHEANEDVOFODPE-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCOC1CCC1 ZINC001567965104 1124207049 /nfs/dbraw/zinc/20/70/49/1124207049.db2.gz RLNPLKJDGLVFAA-AWEZNQCLSA-N 2 2 330.432 2.230 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CCc1ccccc1 ZINC001568178816 1124341629 /nfs/dbraw/zinc/34/16/29/1124341629.db2.gz IPFUNOTWRZYARA-WMZOPIPTSA-N 2 2 340.471 2.030 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568282246 1124403010 /nfs/dbraw/zinc/40/30/10/1124403010.db2.gz GACZEOPHFHMSDX-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001568687524 1124699002 /nfs/dbraw/zinc/69/90/02/1124699002.db2.gz UJCOPAPTCVQDGF-UONOGXRCSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001568687524 1124699006 /nfs/dbraw/zinc/69/90/06/1124699006.db2.gz UJCOPAPTCVQDGF-UONOGXRCSA-N 2 2 332.423 2.412 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC/C=C/C[NH2+]CC1CC(C)(C)C1 ZINC001568870958 1124897664 /nfs/dbraw/zinc/89/76/64/1124897664.db2.gz IFRLGQDDXNRPEO-SNAWJCMRSA-N 2 2 331.460 2.331 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1csc(Cl)n1 ZINC001568874142 1124901148 /nfs/dbraw/zinc/90/11/48/1124901148.db2.gz ZVSAGFDJTABOGK-SCOBNMCVSA-N 2 2 342.896 2.043 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1csc(Cl)n1 ZINC001568874142 1124901152 /nfs/dbraw/zinc/90/11/52/1124901152.db2.gz ZVSAGFDJTABOGK-SCOBNMCVSA-N 2 2 342.896 2.043 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC001568876287 1124901580 /nfs/dbraw/zinc/90/15/80/1124901580.db2.gz SAESIYUGKBFXNU-YPQKKHBXSA-N 2 2 344.484 2.278 10 0 EEAELP C[C@@H](C[N@H+](C)CCOCC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569125042 1125112925 /nfs/dbraw/zinc/11/29/25/1125112925.db2.gz QHTBMGFBGKRCQB-ZDUSSCGKSA-N 2 2 330.432 2.040 10 0 EEAELP C[C@@H](C[N@@H+](C)CCOCC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569125042 1125112928 /nfs/dbraw/zinc/11/29/28/1125112928.db2.gz QHTBMGFBGKRCQB-ZDUSSCGKSA-N 2 2 330.432 2.040 10 0 EEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000262046087 282248307 /nfs/dbraw/zinc/24/83/07/282248307.db2.gz ZCHJVSNDLPXYST-AKHDSKFASA-N 2 2 335.467 2.175 10 0 EEAELP CC1CC[NH+](CCN2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)CC1 ZINC000153814390 539476411 /nfs/dbraw/zinc/47/64/11/539476411.db2.gz ZAUKZJZSTFTIDO-UHFFFAOYSA-N 2 2 347.551 2.488 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCN(c4ccccc4Cl)C3=O)C[C@@H]2C1 ZINC000193632557 283213299 /nfs/dbraw/zinc/21/32/99/283213299.db2.gz SRWQQWSVRKCYAY-JKIFEVAISA-N 2 2 333.863 2.329 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCN(c4ccccc4Cl)C3=O)C[C@@H]2C1 ZINC000193632557 283213301 /nfs/dbraw/zinc/21/33/01/283213301.db2.gz SRWQQWSVRKCYAY-JKIFEVAISA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccccc4Cl)C3=O)C[C@@H]2C1 ZINC000193632557 283213304 /nfs/dbraw/zinc/21/33/04/283213304.db2.gz SRWQQWSVRKCYAY-JKIFEVAISA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccccc4Cl)C3=O)C[C@@H]2C1 ZINC000193632557 283213305 /nfs/dbraw/zinc/21/33/05/283213305.db2.gz SRWQQWSVRKCYAY-JKIFEVAISA-N 2 2 333.863 2.329 10 0 EEAELP CN(C)c1nc(N(C)C[C@@H](c2cccs2)[NH+]2CCOCC2)cc[nH+]1 ZINC000072293777 216129226 /nfs/dbraw/zinc/12/92/26/216129226.db2.gz AOBPDWQNDVLDTJ-AWEZNQCLSA-N 2 2 347.488 2.114 10 0 EEAELP CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422789800 240224208 /nfs/dbraw/zinc/22/42/08/240224208.db2.gz BOHFFQURSGGFBA-QZTJIDSGSA-N 2 2 331.460 2.138 10 0 EEAELP Clc1cccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422832359 240251783 /nfs/dbraw/zinc/25/17/83/240251783.db2.gz FWLCYKAXVIGECM-RYQLBKOJSA-N 2 2 335.879 2.275 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422879371 240270774 /nfs/dbraw/zinc/27/07/74/240270774.db2.gz KHNHKVALXUNXQI-YFHUEUNASA-N 2 2 332.492 2.315 10 0 EEAELP CCCC(=O)Nc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422882057 240273432 /nfs/dbraw/zinc/27/34/32/240273432.db2.gz OWIOHMCHMJICSV-PKOBYXMFSA-N 2 2 331.460 2.282 10 0 EEAELP FC(F)(F)Oc1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422897383 240278608 /nfs/dbraw/zinc/27/86/08/240278608.db2.gz ZTTVXCAGRKSBDS-HZPDHXFCSA-N 2 2 344.377 2.484 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCc2cnn(C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422912468 240285424 /nfs/dbraw/zinc/28/54/24/240285424.db2.gz WFUGJBKVEXKZFK-MOPGFXCFSA-N 2 2 328.460 2.444 10 0 EEAELP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423048669 240342602 /nfs/dbraw/zinc/34/26/02/240342602.db2.gz JCAILQUWLFDRIQ-AHRSYUTCSA-N 2 2 330.472 2.472 10 0 EEAELP CSc1ccc([C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)N(C)C)cc1 ZINC000423144488 240383410 /nfs/dbraw/zinc/38/34/10/240383410.db2.gz HFJDTGAMFGSZBX-IPMKNSEASA-N 2 2 349.544 2.368 10 0 EEAELP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000246935616 243336884 /nfs/dbraw/zinc/33/68/84/243336884.db2.gz NKBSWACFRJGBMF-SJORKVTESA-N 2 2 347.507 2.116 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000246935616 243336891 /nfs/dbraw/zinc/33/68/91/243336891.db2.gz NKBSWACFRJGBMF-SJORKVTESA-N 2 2 347.507 2.116 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000459628647 245192529 /nfs/dbraw/zinc/19/25/29/245192529.db2.gz FZPSOZXNZFGIOI-IBGZPJMESA-N 2 2 331.460 2.334 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000459628647 245192533 /nfs/dbraw/zinc/19/25/33/245192533.db2.gz FZPSOZXNZFGIOI-IBGZPJMESA-N 2 2 331.460 2.334 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264249779 246241374 /nfs/dbraw/zinc/24/13/74/246241374.db2.gz YQXVWLHTQSQIMZ-UHFFFAOYSA-N 2 2 327.432 2.015 10 0 EEAELP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000264308374 246330028 /nfs/dbraw/zinc/33/00/28/246330028.db2.gz SMEKTQPSYULYLU-IRXDYDNUSA-N 2 2 345.487 2.121 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(OC)c1 ZINC000093146554 218197418 /nfs/dbraw/zinc/19/74/18/218197418.db2.gz JYXYMISSAWXSOY-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(OC)c1 ZINC000093146554 218197420 /nfs/dbraw/zinc/19/74/20/218197420.db2.gz JYXYMISSAWXSOY-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP C[NH+](C)CC[C@@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)(C)C ZINC000271308151 256231868 /nfs/dbraw/zinc/23/18/68/256231868.db2.gz KTWHUBXHTCWKNP-MRXNPFEDSA-N 2 2 329.448 2.364 10 0 EEAELP CC[C@@H]1COCC[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000115741112 152037400 /nfs/dbraw/zinc/03/74/00/152037400.db2.gz PSRVUUDAZSITOU-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP CC[C@@H]1COCC[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000115741112 152037402 /nfs/dbraw/zinc/03/74/02/152037402.db2.gz PSRVUUDAZSITOU-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP CCN(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000191333058 152249437 /nfs/dbraw/zinc/24/94/37/152249437.db2.gz NVQDHTHJWBIDLU-IBGZPJMESA-N 2 2 345.535 2.140 10 0 EEAELP CCN(C)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000191333058 152249440 /nfs/dbraw/zinc/24/94/40/152249440.db2.gz NVQDHTHJWBIDLU-IBGZPJMESA-N 2 2 345.535 2.140 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262954675 152344648 /nfs/dbraw/zinc/34/46/48/152344648.db2.gz KAVUPBYALPIKMQ-ABAIWWIYSA-N 2 2 334.370 2.355 10 0 EEAELP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263057119 152365559 /nfs/dbraw/zinc/36/55/59/152365559.db2.gz UZCOYONMMOVIQG-HZPDHXFCSA-N 2 2 337.414 2.155 10 0 EEAELP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263057119 152365563 /nfs/dbraw/zinc/36/55/63/152365563.db2.gz UZCOYONMMOVIQG-HZPDHXFCSA-N 2 2 337.414 2.155 10 0 EEAELP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCn2cc[nH+]c21 ZINC000248781113 160361213 /nfs/dbraw/zinc/36/12/13/160361213.db2.gz VJDJXOWFIGOUEJ-MSOLQXFVSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCn2cc[nH+]c21 ZINC000248781113 160361215 /nfs/dbraw/zinc/36/12/15/160361215.db2.gz VJDJXOWFIGOUEJ-MSOLQXFVSA-N 2 2 338.455 2.399 10 0 EEAELP CCc1ccc(C[NH+]2CCN(CCC[NH+]3CCOCC3)CC2)s1 ZINC000075752128 159076926 /nfs/dbraw/zinc/07/69/26/159076926.db2.gz GEPBLSDCMFWGNG-UHFFFAOYSA-N 2 2 337.533 2.150 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOc2cccc(C)c2)[C@H](C)C1 ZINC000081096360 159149042 /nfs/dbraw/zinc/14/90/42/159149042.db2.gz MAMMHTCSSXKDJE-IEBWSBKVSA-N 2 2 347.503 2.152 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOc2cccc(C)c2)[C@H](C)C1 ZINC000081096360 159149046 /nfs/dbraw/zinc/14/90/46/159149046.db2.gz MAMMHTCSSXKDJE-IEBWSBKVSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCOc2cccc(C)c2)[C@H](C)C1 ZINC000081096360 159149048 /nfs/dbraw/zinc/14/90/48/159149048.db2.gz MAMMHTCSSXKDJE-IEBWSBKVSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCOc2cccc(C)c2)[C@H](C)C1 ZINC000081096360 159149051 /nfs/dbraw/zinc/14/90/51/159149051.db2.gz MAMMHTCSSXKDJE-IEBWSBKVSA-N 2 2 347.503 2.152 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000104946013 159293766 /nfs/dbraw/zinc/29/37/66/159293766.db2.gz MLELUHZFHZEWOH-HNNXBMFYSA-N 2 2 346.393 2.471 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246495201 160282572 /nfs/dbraw/zinc/28/25/72/160282572.db2.gz BKWRNAGPIHUATP-KSZLIROESA-N 2 2 347.507 2.425 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246495201 160282573 /nfs/dbraw/zinc/28/25/73/160282573.db2.gz BKWRNAGPIHUATP-KSZLIROESA-N 2 2 347.507 2.425 10 0 EEAELP C[C@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246744926 160292220 /nfs/dbraw/zinc/29/22/20/160292220.db2.gz WXVYRBSHNJNQRI-ZACQAIPSSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[N@H+]1CCC[C@@H](C)C1 ZINC000246744926 160292222 /nfs/dbraw/zinc/29/22/22/160292222.db2.gz WXVYRBSHNJNQRI-ZACQAIPSSA-N 2 2 333.480 2.178 10 0 EEAELP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246859704 160298148 /nfs/dbraw/zinc/29/81/48/160298148.db2.gz CYQCXGSWWFEGHM-FOIQADDNSA-N 2 2 341.503 2.475 10 0 EEAELP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246859704 160298150 /nfs/dbraw/zinc/29/81/50/160298150.db2.gz CYQCXGSWWFEGHM-FOIQADDNSA-N 2 2 341.503 2.475 10 0 EEAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000247431528 160324589 /nfs/dbraw/zinc/32/45/89/160324589.db2.gz IJJCMYILHPTXJO-RHSMWYFYSA-N 2 2 328.416 2.413 10 0 EEAELP COc1cccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000247431528 160324590 /nfs/dbraw/zinc/32/45/90/160324590.db2.gz IJJCMYILHPTXJO-RHSMWYFYSA-N 2 2 328.416 2.413 10 0 EEAELP CCc1ccc(C[NH+]2CCN(CC[N@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)s1 ZINC000343313812 161123325 /nfs/dbraw/zinc/12/33/25/161123325.db2.gz KMUNCLYWCXAPPB-CALCHBBNSA-N 2 2 349.544 2.291 10 0 EEAELP CCc1ccc(C[NH+]2CCN(CC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)s1 ZINC000343313812 161123326 /nfs/dbraw/zinc/12/33/26/161123326.db2.gz KMUNCLYWCXAPPB-CALCHBBNSA-N 2 2 349.544 2.291 10 0 EEAELP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000343893915 161178278 /nfs/dbraw/zinc/17/82/78/161178278.db2.gz JOTYQHHQAGKPSJ-UZLBHIALSA-N 3 2 331.504 2.447 10 0 EEAELP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000343893915 161178279 /nfs/dbraw/zinc/17/82/79/161178279.db2.gz JOTYQHHQAGKPSJ-UZLBHIALSA-N 3 2 331.504 2.447 10 0 EEAELP C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000346545637 161381032 /nfs/dbraw/zinc/38/10/32/161381032.db2.gz ZCJUTBNNECZERO-CQSZACIVSA-N 2 2 333.457 2.348 10 0 EEAELP C[C@H]1CC[C@H](CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000355210494 163111220 /nfs/dbraw/zinc/11/12/20/163111220.db2.gz FYJXKDSYJRLODB-ZWKKMZQASA-N 2 2 348.535 2.375 10 0 EEAELP C[C@H]1CC[C@H](CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000355210494 163111223 /nfs/dbraw/zinc/11/12/23/163111223.db2.gz FYJXKDSYJRLODB-ZWKKMZQASA-N 2 2 348.535 2.375 10 0 EEAELP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)C1 ZINC000369359593 166244957 /nfs/dbraw/zinc/24/49/57/166244957.db2.gz RSGRXBTVHOAASC-QAPCUYQASA-N 2 2 337.895 2.085 10 0 EEAELP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)C1 ZINC000369359593 166244959 /nfs/dbraw/zinc/24/49/59/166244959.db2.gz RSGRXBTVHOAASC-QAPCUYQASA-N 2 2 337.895 2.085 10 0 EEAELP c1ccc(N2CC[NH+](CCC[N@@H+]3CCOCC4(CC4)C3)CC2)cc1 ZINC000375725514 167180346 /nfs/dbraw/zinc/18/03/46/167180346.db2.gz DAGYUFXVSMUAOD-UHFFFAOYSA-N 2 2 329.488 2.311 10 0 EEAELP c1ccc(N2CC[NH+](CCC[N@H+]3CCOCC4(CC4)C3)CC2)cc1 ZINC000375725514 167180348 /nfs/dbraw/zinc/18/03/48/167180348.db2.gz DAGYUFXVSMUAOD-UHFFFAOYSA-N 2 2 329.488 2.311 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292103608 275376685 /nfs/dbraw/zinc/37/66/85/275376685.db2.gz IHBNIDPWQBRQOP-HNAYVOBHSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292103608 275376688 /nfs/dbraw/zinc/37/66/88/275376688.db2.gz IHBNIDPWQBRQOP-HNAYVOBHSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292103608 275376689 /nfs/dbraw/zinc/37/66/89/275376689.db2.gz IHBNIDPWQBRQOP-HNAYVOBHSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292103608 275376692 /nfs/dbraw/zinc/37/66/92/275376692.db2.gz IHBNIDPWQBRQOP-HNAYVOBHSA-N 2 2 331.460 2.440 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126598 275380575 /nfs/dbraw/zinc/38/05/75/275380575.db2.gz KVLYPVMISLKJQX-UXHICEINSA-N 2 2 327.472 2.282 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126598 275380578 /nfs/dbraw/zinc/38/05/78/275380578.db2.gz KVLYPVMISLKJQX-UXHICEINSA-N 2 2 327.472 2.282 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126598 275380581 /nfs/dbraw/zinc/38/05/81/275380581.db2.gz KVLYPVMISLKJQX-UXHICEINSA-N 2 2 327.472 2.282 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126598 275380583 /nfs/dbraw/zinc/38/05/83/275380583.db2.gz KVLYPVMISLKJQX-UXHICEINSA-N 2 2 327.472 2.282 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCn3cc[nH+]c32)[C@H](C)C1 ZINC000245412572 276315624 /nfs/dbraw/zinc/31/56/24/276315624.db2.gz ACTMFLBEEAFRRU-IKGGRYGDSA-N 2 2 348.491 2.014 10 0 EEAELP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCn3cc[nH+]c32)[C@H](C)C1 ZINC000245412572 276315626 /nfs/dbraw/zinc/31/56/26/276315626.db2.gz ACTMFLBEEAFRRU-IKGGRYGDSA-N 2 2 348.491 2.014 10 0 EEAELP C[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[N@H+](C)Cc1ccccc1 ZINC000377332145 278204239 /nfs/dbraw/zinc/20/42/39/278204239.db2.gz VORDTXDDMJKLDU-ZBFHGGJFSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000377332145 278204240 /nfs/dbraw/zinc/20/42/40/278204240.db2.gz VORDTXDDMJKLDU-ZBFHGGJFSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000377332145 278204241 /nfs/dbraw/zinc/20/42/41/278204241.db2.gz VORDTXDDMJKLDU-ZBFHGGJFSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000377332145 278204242 /nfs/dbraw/zinc/20/42/42/278204242.db2.gz VORDTXDDMJKLDU-ZBFHGGJFSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358428970 279201946 /nfs/dbraw/zinc/20/19/46/279201946.db2.gz FGEINTOZMJTLOG-CABCVRRESA-N 2 2 333.501 2.397 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358428970 279201949 /nfs/dbraw/zinc/20/19/49/279201949.db2.gz FGEINTOZMJTLOG-CABCVRRESA-N 2 2 333.501 2.397 10 0 EEAELP c1ccc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCOCC2)cc1 ZINC000422850948 304853997 /nfs/dbraw/zinc/85/39/97/304853997.db2.gz WJNGCGMRXJRZGN-OALUTQOASA-N 2 2 330.472 2.091 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cn1cc[nH+]c1 ZINC000161589390 311368056 /nfs/dbraw/zinc/36/80/56/311368056.db2.gz GZOGQLUHSFCUTE-QGZVFWFLSA-N 2 2 342.443 2.102 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)Cn1cc[nH+]c1 ZINC000161589390 311368058 /nfs/dbraw/zinc/36/80/58/311368058.db2.gz GZOGQLUHSFCUTE-QGZVFWFLSA-N 2 2 342.443 2.102 10 0 EEAELP C[C@@H](O)[C@H]1CCN(c2cc(N[C@H](C)C[NH+]3CCCCCC3)nc[nH+]2)C1 ZINC000334024459 312229631 /nfs/dbraw/zinc/22/96/31/312229631.db2.gz GFUDKLKTAMVGJQ-ZACQAIPSSA-N 2 2 347.507 2.360 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000416861911 313339241 /nfs/dbraw/zinc/33/92/41/313339241.db2.gz XLHOZOXBACOFAM-CZUORRHYSA-N 2 2 329.448 2.032 10 0 EEAELP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1 ZINC000417010223 313392952 /nfs/dbraw/zinc/39/29/52/313392952.db2.gz OWAFREJMDRQTSO-CYBMUJFWSA-N 2 2 327.432 2.167 10 0 EEAELP [NH3+]C[C@H]1CC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000417084954 313417036 /nfs/dbraw/zinc/41/70/36/313417036.db2.gz XBXPWJPSXKASFI-WKILWMFISA-N 2 2 345.491 2.115 10 0 EEAELP COC(=O)CC1([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CCCC1 ZINC000420958700 314009998 /nfs/dbraw/zinc/00/99/98/314009998.db2.gz FCNAYTRCVHCPMM-UHFFFAOYSA-N 2 2 346.471 2.484 10 0 EEAELP CN(C)c1[nH+]cc(C[N@@H+]2CCCN(c3ccccc3F)CC2)n1C ZINC000425384370 314383000 /nfs/dbraw/zinc/38/30/00/314383000.db2.gz QIYUIJJJDQBGRV-UHFFFAOYSA-N 2 2 331.439 2.338 10 0 EEAELP CN(C)c1[nH+]cc(C[N@H+]2CCCN(c3ccccc3F)CC2)n1C ZINC000425384370 314383002 /nfs/dbraw/zinc/38/30/02/314383002.db2.gz QIYUIJJJDQBGRV-UHFFFAOYSA-N 2 2 331.439 2.338 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](Cc3cc(CO)ccc3F)CC2)c1 ZINC000528372768 317370343 /nfs/dbraw/zinc/37/03/43/317370343.db2.gz NMUMZUJUJGHORN-UHFFFAOYSA-N 2 2 331.391 2.044 10 0 EEAELP C[N@H+](C[C@@H](O)CC1(O)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000528418096 317381103 /nfs/dbraw/zinc/38/11/03/317381103.db2.gz SBSKHUWKPUZBNE-IBGZPJMESA-N 2 2 332.488 2.249 10 0 EEAELP C[N@@H+](C[C@@H](O)CC1(O)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000528418096 317381107 /nfs/dbraw/zinc/38/11/07/317381107.db2.gz SBSKHUWKPUZBNE-IBGZPJMESA-N 2 2 332.488 2.249 10 0 EEAELP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@@H+]1CCCC[C@H]1C ZINC000538706832 318042448 /nfs/dbraw/zinc/04/24/48/318042448.db2.gz GSEZPHMDOFZSGX-CABCVRRESA-N 2 2 327.432 2.260 10 0 EEAELP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@H+]1CCCC[C@H]1C ZINC000538706832 318042451 /nfs/dbraw/zinc/04/24/51/318042451.db2.gz GSEZPHMDOFZSGX-CABCVRRESA-N 2 2 327.432 2.260 10 0 EEAELP CN(CCC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cc[nH+]cc1 ZINC000540923309 318084251 /nfs/dbraw/zinc/08/42/51/318084251.db2.gz XJXYXYKULVFJLK-UHFFFAOYSA-N 2 2 349.438 2.469 10 0 EEAELP O=C(C1CC1)N1CCC([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000543246730 318153868 /nfs/dbraw/zinc/15/38/68/318153868.db2.gz GRGYSLPIBKXUKF-UHFFFAOYSA-N 2 2 330.457 2.424 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000545984910 318238174 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463101798 /nfs/dbraw/zinc/10/17/98/463101798.db2.gz UCIURVYLANEYAP-UHFFFAOYSA-N 2 2 344.507 2.431 10 0 EEAELP C[N@@H+](Cc1cnn(C(C)(C)C)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121238702 463101800 /nfs/dbraw/zinc/10/18/00/463101800.db2.gz UCIURVYLANEYAP-UHFFFAOYSA-N 2 2 344.507 2.431 10 0 EEAELP CCCC[C@@H](NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OC ZINC000135232029 463131463 /nfs/dbraw/zinc/13/14/63/463131463.db2.gz JFCIATNFPMYSQG-QGZVFWFLSA-N 2 2 339.524 2.258 10 0 EEAELP CCCC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(=O)OC ZINC000135232029 463131469 /nfs/dbraw/zinc/13/14/69/463131469.db2.gz JFCIATNFPMYSQG-QGZVFWFLSA-N 2 2 339.524 2.258 10 0 EEAELP CN(CCC1CC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000122836687 463295438 /nfs/dbraw/zinc/29/54/38/463295438.db2.gz FHTCBOXOEURJDD-UHFFFAOYSA-N 2 2 336.524 2.378 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCc2c(F)cccc2F)CC[N@@H+]1C ZINC000123646257 463357658 /nfs/dbraw/zinc/35/76/58/463357658.db2.gz GYHIEWUOMUUBEF-KGLIPLIRSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCc2c(F)cccc2F)CC[N@H+]1C ZINC000123646257 463357663 /nfs/dbraw/zinc/35/76/63/463357663.db2.gz GYHIEWUOMUUBEF-KGLIPLIRSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCc2c(F)cccc2F)CC[NH+]1C ZINC000123646257 463357668 /nfs/dbraw/zinc/35/76/68/463357668.db2.gz GYHIEWUOMUUBEF-KGLIPLIRSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCc2c(F)cccc2F)CC[NH+]1C ZINC000123646257 463357672 /nfs/dbraw/zinc/35/76/72/463357672.db2.gz GYHIEWUOMUUBEF-KGLIPLIRSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@H](CNC(=O)C[N@@H+]1CCc2sccc2C1)C[NH+]1CCCCC1 ZINC000070033141 463369703 /nfs/dbraw/zinc/36/97/03/463369703.db2.gz KAEXKBFRFWSQQW-OAHLLOKOSA-N 2 2 335.517 2.344 10 0 EEAELP C[C@H](CNC(=O)C[N@H+]1CCc2sccc2C1)C[NH+]1CCCCC1 ZINC000070033141 463369705 /nfs/dbraw/zinc/36/97/05/463369705.db2.gz KAEXKBFRFWSQQW-OAHLLOKOSA-N 2 2 335.517 2.344 10 0 EEAELP Fc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1Cn1cc[nH+]c1 ZINC000058309686 463575641 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Cc1csc2nc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C)cc(=O)n12 ZINC000178753577 463964352 /nfs/dbraw/zinc/96/43/52/463964352.db2.gz SAAXYYGIYWSMCD-OAHLLOKOSA-N 2 2 343.456 2.234 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119231 465435630 /nfs/dbraw/zinc/43/56/30/465435630.db2.gz ZZQRLKDIIMTCNC-YJBOKZPZSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119231 465435637 /nfs/dbraw/zinc/43/56/37/465435637.db2.gz ZZQRLKDIIMTCNC-YJBOKZPZSA-N 2 2 329.448 2.029 10 0 EEAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195117702 463994364 /nfs/dbraw/zinc/99/43/64/463994364.db2.gz YMSBZJAMJFHCNW-OAHLLOKOSA-N 2 2 349.500 2.046 10 0 EEAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000195117702 463994369 /nfs/dbraw/zinc/99/43/69/463994369.db2.gz YMSBZJAMJFHCNW-OAHLLOKOSA-N 2 2 349.500 2.046 10 0 EEAELP COC(=O)[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284179280 464104190 /nfs/dbraw/zinc/10/41/90/464104190.db2.gz RFRHZQPADLFIID-RBUKOAKNSA-N 2 2 346.471 2.163 10 0 EEAELP COC(=O)[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284179280 464104193 /nfs/dbraw/zinc/10/41/93/464104193.db2.gz RFRHZQPADLFIID-RBUKOAKNSA-N 2 2 346.471 2.163 10 0 EEAELP COC(=O)[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284179280 464104197 /nfs/dbraw/zinc/10/41/97/464104197.db2.gz RFRHZQPADLFIID-RBUKOAKNSA-N 2 2 346.471 2.163 10 0 EEAELP COC(=O)[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284179280 464104199 /nfs/dbraw/zinc/10/41/99/464104199.db2.gz RFRHZQPADLFIID-RBUKOAKNSA-N 2 2 346.471 2.163 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC[C@@H]2c2ccco2)CC1 ZINC000179318760 464104674 /nfs/dbraw/zinc/10/46/74/464104674.db2.gz UDUZWYWVMCEUPU-MRXNPFEDSA-N 2 2 334.464 2.152 10 0 EEAELP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190484508 464656853 /nfs/dbraw/zinc/65/68/53/464656853.db2.gz RSDWWPUKMKBUEO-GOSISDBHSA-N 2 2 327.476 2.386 10 0 EEAELP Cc1nn(C)c(C)c1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190484508 464656858 /nfs/dbraw/zinc/65/68/58/464656858.db2.gz RSDWWPUKMKBUEO-GOSISDBHSA-N 2 2 327.476 2.386 10 0 EEAELP Cc1nn(C)c(C)c1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190484508 464656865 /nfs/dbraw/zinc/65/68/65/464656865.db2.gz RSDWWPUKMKBUEO-GOSISDBHSA-N 2 2 327.476 2.386 10 0 EEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248384987 464745612 /nfs/dbraw/zinc/74/56/12/464745612.db2.gz GUAQEAUJBIVFHB-PBHICJAKSA-N 2 2 347.459 2.264 10 0 EEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248384987 464745618 /nfs/dbraw/zinc/74/56/18/464745618.db2.gz GUAQEAUJBIVFHB-PBHICJAKSA-N 2 2 347.459 2.264 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000176414686 464767666 /nfs/dbraw/zinc/76/76/66/464767666.db2.gz XFZPIXCMVYRIPS-WMLDXEAASA-N 2 2 343.475 2.373 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176414686 464767673 /nfs/dbraw/zinc/76/76/73/464767673.db2.gz XFZPIXCMVYRIPS-WMLDXEAASA-N 2 2 343.475 2.373 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000266716486 464798288 /nfs/dbraw/zinc/79/82/88/464798288.db2.gz RSUMCVFYKDPILD-JKSUJKDBSA-N 2 2 327.432 2.103 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000266716486 464798290 /nfs/dbraw/zinc/79/82/90/464798290.db2.gz RSUMCVFYKDPILD-JKSUJKDBSA-N 2 2 327.432 2.103 10 0 EEAELP C[NH+](C)Cc1ccnc(NC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000176905957 464882573 /nfs/dbraw/zinc/88/25/73/464882573.db2.gz WICBYHPCOCAIMM-QGZVFWFLSA-N 2 2 326.444 2.255 10 0 EEAELP Cc1nc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc2ccccc12 ZINC000177383113 465000833 /nfs/dbraw/zinc/00/08/33/465000833.db2.gz UKZIDEMPHMHDIS-UHFFFAOYSA-N 2 2 341.503 2.396 10 0 EEAELP Cc1nc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc2ccccc12 ZINC000177383113 465000840 /nfs/dbraw/zinc/00/08/40/465000840.db2.gz UKZIDEMPHMHDIS-UHFFFAOYSA-N 2 2 341.503 2.396 10 0 EEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCCc2[nH+]ccn21 ZINC000351727811 465321289 /nfs/dbraw/zinc/32/12/89/465321289.db2.gz RIAVEBGAFUYFGB-KRWDZBQOSA-N 2 2 335.411 2.322 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371229389 465657582 /nfs/dbraw/zinc/65/75/82/465657582.db2.gz IYDCFBNJLZZTIP-HOTGVXAUSA-N 2 2 326.444 2.335 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353521810 465949457 /nfs/dbraw/zinc/94/94/57/465949457.db2.gz SQGCPYSIVJKRPE-UWHLTILDSA-N 3 2 343.515 2.086 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353521810 465949473 /nfs/dbraw/zinc/94/94/73/465949473.db2.gz SQGCPYSIVJKRPE-UWHLTILDSA-N 3 2 343.515 2.086 10 0 EEAELP C[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353521810 465949481 /nfs/dbraw/zinc/94/94/81/465949481.db2.gz SQGCPYSIVJKRPE-UWHLTILDSA-N 3 2 343.515 2.086 10 0 EEAELP C[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353521810 465949493 /nfs/dbraw/zinc/94/94/93/465949493.db2.gz SQGCPYSIVJKRPE-UWHLTILDSA-N 3 2 343.515 2.086 10 0 EEAELP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000346174753 465962618 /nfs/dbraw/zinc/96/26/18/465962618.db2.gz MTYQBHVXNOETSR-ZDUSSCGKSA-N 2 2 339.486 2.333 10 0 EEAELP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H]1CCS(=O)(=O)C1 ZINC000346174753 465962626 /nfs/dbraw/zinc/96/26/26/465962626.db2.gz MTYQBHVXNOETSR-ZDUSSCGKSA-N 2 2 339.486 2.333 10 0 EEAELP Cc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c(C)[nH+]1 ZINC000301825202 466040591 /nfs/dbraw/zinc/04/05/91/466040591.db2.gz IQIYSCBQRAFYJP-JWTNVVGKSA-N 2 2 329.492 2.149 10 0 EEAELP Cc1nc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)c(C)[nH+]1 ZINC000301825202 466040595 /nfs/dbraw/zinc/04/05/95/466040595.db2.gz IQIYSCBQRAFYJP-JWTNVVGKSA-N 2 2 329.492 2.149 10 0 EEAELP O[C@H](COCc1ccccc1F)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372169329 466201935 /nfs/dbraw/zinc/20/19/35/466201935.db2.gz MRDFKMVSJNAVOU-INIZCTEOSA-N 2 2 333.407 2.306 10 0 EEAELP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccnc1 ZINC000353972402 466292677 /nfs/dbraw/zinc/29/26/77/466292677.db2.gz NKFXRLNUNGKQSM-AQDPXUSMSA-N 2 2 344.503 2.452 10 0 EEAELP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccnc1 ZINC000353972402 466292683 /nfs/dbraw/zinc/29/26/83/466292683.db2.gz NKFXRLNUNGKQSM-AQDPXUSMSA-N 2 2 344.503 2.452 10 0 EEAELP Cc1c(C[NH2+]CC[N@H+]2CC=C(C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000358133677 466484265 /nfs/dbraw/zinc/48/42/65/466484265.db2.gz INBWCYXYVPPBND-UHFFFAOYSA-N 2 2 340.471 2.226 10 0 EEAELP Cc1c(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c(=O)n(-c2ccccc2)n1C ZINC000358133677 466484271 /nfs/dbraw/zinc/48/42/71/466484271.db2.gz INBWCYXYVPPBND-UHFFFAOYSA-N 2 2 340.471 2.226 10 0 EEAELP COCCCn1nccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000374689236 466715511 /nfs/dbraw/zinc/71/55/11/466715511.db2.gz DOTLEORIOFLETR-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP COC1(CC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1 ZINC000373626594 466871495 /nfs/dbraw/zinc/87/14/95/466871495.db2.gz RCHKPBCJCVHNGR-UHFFFAOYSA-N 2 2 337.508 2.012 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000423912755 466906019 /nfs/dbraw/zinc/90/60/19/466906019.db2.gz JBGHYQVJBLQCJW-DYVFJYSZSA-N 2 2 335.879 2.202 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000423912755 466906024 /nfs/dbraw/zinc/90/60/24/466906024.db2.gz JBGHYQVJBLQCJW-DYVFJYSZSA-N 2 2 335.879 2.202 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000371040981 467077973 /nfs/dbraw/zinc/07/79/73/467077973.db2.gz BZRMEXKHIGDQEW-INIZCTEOSA-N 2 2 333.480 2.041 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418411022 467106861 /nfs/dbraw/zinc/10/68/61/467106861.db2.gz DPQSRHUYGZGKEN-ZDUSSCGKSA-N 2 2 338.883 2.466 10 0 EEAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[NH+]1CCCCC1 ZINC000414058534 467370883 /nfs/dbraw/zinc/37/08/83/467370883.db2.gz HLHQGDSBVFCJHS-ZDUSSCGKSA-N 2 2 342.281 2.075 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371881 467382761 /nfs/dbraw/zinc/38/27/61/467382761.db2.gz MBSNQFLKSZVWBZ-KSSFIOAISA-N 2 2 333.501 2.097 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371881 467382763 /nfs/dbraw/zinc/38/27/63/467382763.db2.gz MBSNQFLKSZVWBZ-KSSFIOAISA-N 2 2 333.501 2.097 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420384627 467388446 /nfs/dbraw/zinc/38/84/46/467388446.db2.gz UIQNPTFGQWFNPL-KUHUBIRLSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420384627 467388449 /nfs/dbraw/zinc/38/84/49/467388449.db2.gz UIQNPTFGQWFNPL-KUHUBIRLSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420384629 467388685 /nfs/dbraw/zinc/38/86/85/467388685.db2.gz UIQNPTFGQWFNPL-LIRRHRJNSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420384629 467388689 /nfs/dbraw/zinc/38/86/89/467388689.db2.gz UIQNPTFGQWFNPL-LIRRHRJNSA-N 2 2 344.459 2.048 10 0 EEAELP [NH3+]CCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000415100095 467489618 /nfs/dbraw/zinc/48/96/18/467489618.db2.gz GJWNUINQSPDUEH-UHFFFAOYSA-N 3 2 336.911 2.275 10 0 EEAELP Cn1c2cc(F)ccc2[nH+]c1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431436858 467516566 /nfs/dbraw/zinc/51/65/66/467516566.db2.gz WZVZFAFOOVRJKC-MRXNPFEDSA-N 2 2 345.466 2.319 10 0 EEAELP Cn1c2cc(F)ccc2[nH+]c1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000431436858 467516569 /nfs/dbraw/zinc/51/65/69/467516569.db2.gz WZVZFAFOOVRJKC-MRXNPFEDSA-N 2 2 345.466 2.319 10 0 EEAELP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000436266351 467526382 /nfs/dbraw/zinc/52/63/82/467526382.db2.gz ONEWSJOINQHOPA-UHFFFAOYSA-N 2 2 327.428 2.212 10 0 EEAELP O=C(C1CC1)N1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000438266371 467564625 /nfs/dbraw/zinc/56/46/25/467564625.db2.gz LQASXBKDBUDNAL-UHFFFAOYSA-N 2 2 330.457 2.378 10 0 EEAELP O=C(C1CC1)N1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000438266371 467564626 /nfs/dbraw/zinc/56/46/26/467564626.db2.gz LQASXBKDBUDNAL-UHFFFAOYSA-N 2 2 330.457 2.378 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449243949 467625781 /nfs/dbraw/zinc/62/57/81/467625781.db2.gz OKQQGFKCIUDMHQ-UKRRQHHQSA-N 2 2 343.240 2.232 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449243949 467625783 /nfs/dbraw/zinc/62/57/83/467625783.db2.gz OKQQGFKCIUDMHQ-UKRRQHHQSA-N 2 2 343.240 2.232 10 0 EEAELP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000449357648 467633120 /nfs/dbraw/zinc/63/31/20/467633120.db2.gz LKZXMZBANXZSKT-CQSZACIVSA-N 2 2 336.501 2.410 10 0 EEAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449390742 467636172 /nfs/dbraw/zinc/63/61/72/467636172.db2.gz HFTYSEJEZBGIEH-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP COc1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449390742 467636173 /nfs/dbraw/zinc/63/61/73/467636173.db2.gz HFTYSEJEZBGIEH-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396145 467638226 /nfs/dbraw/zinc/63/82/26/467638226.db2.gz RPMCSWRJRITOPL-RTBURBONSA-N 2 2 338.467 2.210 10 0 EEAELP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396145 467638229 /nfs/dbraw/zinc/63/82/29/467638229.db2.gz RPMCSWRJRITOPL-RTBURBONSA-N 2 2 338.467 2.210 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)c1 ZINC000457535436 467645237 /nfs/dbraw/zinc/64/52/37/467645237.db2.gz JOMZNNNGEMCGFF-UHFFFAOYSA-N 2 2 341.459 2.058 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528783503 467753501 /nfs/dbraw/zinc/75/35/01/467753501.db2.gz VUQMGUGMNXYJRV-MSOLQXFVSA-N 2 2 345.468 2.332 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000528783503 467753503 /nfs/dbraw/zinc/75/35/03/467753503.db2.gz VUQMGUGMNXYJRV-MSOLQXFVSA-N 2 2 345.468 2.332 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCCOCC2)CCC[N@@H+]1C1CC1 ZINC000496988128 467771229 /nfs/dbraw/zinc/77/12/29/467771229.db2.gz LKGKWPLPVOLQQE-FRQCXROJSA-N 2 2 332.492 2.494 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@@H]2CCCOCC2)CCC[N@H+]1C1CC1 ZINC000496988128 467771235 /nfs/dbraw/zinc/77/12/35/467771235.db2.gz LKGKWPLPVOLQQE-FRQCXROJSA-N 2 2 332.492 2.494 10 0 EEAELP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(C)C ZINC000486964724 468015504 /nfs/dbraw/zinc/01/55/04/468015504.db2.gz HJDUXEHVFFDKME-CVEARBPZSA-N 2 2 330.476 2.145 10 0 EEAELP COc1ccc([C@H](N[C@H]2CCc3[nH]c[nH+]c3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000567639729 468175896 /nfs/dbraw/zinc/17/58/96/468175896.db2.gz QKDHTCXCYIKZRI-YJLNNSPDSA-N 2 2 326.444 2.359 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000519638657 468187285 /nfs/dbraw/zinc/18/72/85/468187285.db2.gz ACHZJOZEQUWNJT-XHSDSOJGSA-N 2 2 339.842 2.468 10 0 EEAELP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)n1cccc1 ZINC000550251236 468212845 /nfs/dbraw/zinc/21/28/45/468212845.db2.gz TVTIVPNHQZAPSI-HTUJPFKRSA-N 2 2 344.503 2.209 10 0 EEAELP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)n1cccc1 ZINC000550251236 468212853 /nfs/dbraw/zinc/21/28/53/468212853.db2.gz TVTIVPNHQZAPSI-HTUJPFKRSA-N 2 2 344.503 2.209 10 0 EEAELP O=C(NCCCn1cc[nH+]c1)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000490452140 468214164 /nfs/dbraw/zinc/21/41/64/468214164.db2.gz GWIIDSOGTDNOEV-UHFFFAOYSA-N 2 2 346.341 2.222 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000556840894 468587612 /nfs/dbraw/zinc/58/76/12/468587612.db2.gz GOYMOFPPKCYPSY-MRXNPFEDSA-N 2 2 325.420 2.191 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)c3[nH]cc[nH+]3)cc2)CC1 ZINC000560699380 468840050 /nfs/dbraw/zinc/84/00/50/468840050.db2.gz ABRVNYPFFLWANG-CQSZACIVSA-N 2 2 327.432 2.043 10 0 EEAELP C/C=C/c1ccc(OC[C@H](O)C[NH2+]CCc2cn(C)c[nH+]2)c(OC)c1 ZINC000584524764 468891757 /nfs/dbraw/zinc/89/17/57/468891757.db2.gz HZXILEYJCNOVEQ-LAQIPUCWSA-N 2 2 345.443 2.034 10 0 EEAELP OC[C@]12CCC[C@H]1C[N@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000626015457 469470567 /nfs/dbraw/zinc/47/05/67/469470567.db2.gz WGBORTXWDLQGNJ-PWRODBHTSA-N 2 2 344.499 2.372 10 0 EEAELP OC[C@]12CCC[C@H]1C[N@@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000626015457 469470572 /nfs/dbraw/zinc/47/05/72/469470572.db2.gz WGBORTXWDLQGNJ-PWRODBHTSA-N 2 2 344.499 2.372 10 0 EEAELP OC[C@]12CCC[C@H]1C[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000626015457 469470576 /nfs/dbraw/zinc/47/05/76/469470576.db2.gz WGBORTXWDLQGNJ-PWRODBHTSA-N 2 2 344.499 2.372 10 0 EEAELP OC[C@]12CCC[C@H]1C[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000626015457 469470580 /nfs/dbraw/zinc/47/05/80/469470580.db2.gz WGBORTXWDLQGNJ-PWRODBHTSA-N 2 2 344.499 2.372 10 0 EEAELP 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CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000622047165 470153896 /nfs/dbraw/zinc/15/38/96/470153896.db2.gz NZVCTZBNGROYGH-HEHGZKQESA-N 2 2 330.432 2.353 10 0 EEAELP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000622047165 470153899 /nfs/dbraw/zinc/15/38/99/470153899.db2.gz NZVCTZBNGROYGH-HEHGZKQESA-N 2 2 330.432 2.353 10 0 EEAELP COc1cc(Br)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000631843451 470187337 /nfs/dbraw/zinc/18/73/37/470187337.db2.gz OELNPAAJXNROQJ-JQWIXIFHSA-N 2 2 343.265 2.493 10 0 EEAELP COc1cc(Br)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000631843451 470187338 /nfs/dbraw/zinc/18/73/38/470187338.db2.gz OELNPAAJXNROQJ-JQWIXIFHSA-N 2 2 343.265 2.493 10 0 EEAELP CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632822116 470274723 /nfs/dbraw/zinc/27/47/23/470274723.db2.gz VTZONXGHEVMZKA-QGZVFWFLSA-N 2 2 326.444 2.358 10 0 EEAELP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632822116 470274724 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ZINC000651028030 471028181 /nfs/dbraw/zinc/02/81/81/471028181.db2.gz CEGPUYUUADAOBV-GOSISDBHSA-N 2 2 340.471 2.051 10 0 EEAELP Cc1ccccc1-n1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cn1 ZINC000648023705 471055393 /nfs/dbraw/zinc/05/53/93/471055393.db2.gz BDNIVLTWUUFAPK-UHFFFAOYSA-N 2 2 328.460 2.117 10 0 EEAELP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651170766 471076079 /nfs/dbraw/zinc/07/60/79/471076079.db2.gz YQIDHXKGWOHSKL-OAGGEKHMSA-N 2 2 332.492 2.245 10 0 EEAELP CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000654663683 471120548 /nfs/dbraw/zinc/12/05/48/471120548.db2.gz USFHYDFYLUGJNI-HYVNUMGLSA-N 2 2 341.459 2.481 10 0 EEAELP [NH3+]CC1(CCNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000652235896 471260164 /nfs/dbraw/zinc/26/01/64/471260164.db2.gz WMEXZAKOKRBROJ-HNNXBMFYSA-N 2 2 345.491 2.237 10 0 EEAELP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666225987 471322773 /nfs/dbraw/zinc/32/27/73/471322773.db2.gz KHDWNASQSLMBKY-MRXNPFEDSA-N 2 2 338.455 2.079 10 0 EEAELP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666225987 471322780 /nfs/dbraw/zinc/32/27/80/471322780.db2.gz KHDWNASQSLMBKY-MRXNPFEDSA-N 2 2 338.455 2.079 10 0 EEAELP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666225987 471322787 /nfs/dbraw/zinc/32/27/87/471322787.db2.gz KHDWNASQSLMBKY-MRXNPFEDSA-N 2 2 338.455 2.079 10 0 EEAELP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666225987 471322792 /nfs/dbraw/zinc/32/27/92/471322792.db2.gz KHDWNASQSLMBKY-MRXNPFEDSA-N 2 2 338.455 2.079 10 0 EEAELP CCC(=O)c1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000666403355 471389093 /nfs/dbraw/zinc/38/90/93/471389093.db2.gz CHGQUUBSEVBSQI-UHFFFAOYSA-N 2 2 334.464 2.284 10 0 EEAELP CCC(=O)c1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666403355 471389097 /nfs/dbraw/zinc/38/90/97/471389097.db2.gz CHGQUUBSEVBSQI-UHFFFAOYSA-N 2 2 334.464 2.284 10 0 EEAELP CCN(C(=O)NCCn1c(C)[nH+]c2ccccc21)[C@H]1CC[N@H+](C)C1 ZINC000663500318 471401704 /nfs/dbraw/zinc/40/17/04/471401704.db2.gz JSXUWICMCDLLKZ-HNNXBMFYSA-N 2 2 329.448 2.080 10 0 EEAELP CCN(C(=O)NCCn1c(C)[nH+]c2ccccc21)[C@H]1CC[N@@H+](C)C1 ZINC000663500318 471401709 /nfs/dbraw/zinc/40/17/09/471401709.db2.gz JSXUWICMCDLLKZ-HNNXBMFYSA-N 2 2 329.448 2.080 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660734233 471464953 /nfs/dbraw/zinc/46/49/53/471464953.db2.gz JIRPMZGUJGYNKJ-INIZCTEOSA-N 2 2 335.496 2.459 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000663686992 471475141 /nfs/dbraw/zinc/47/51/41/471475141.db2.gz RNLGKAYUCVYEPB-UHFFFAOYSA-N 2 2 335.496 2.182 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000663686992 471475146 /nfs/dbraw/zinc/47/51/46/471475146.db2.gz RNLGKAYUCVYEPB-UHFFFAOYSA-N 2 2 335.496 2.182 10 0 EEAELP CNC(=O)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655764941 471475266 /nfs/dbraw/zinc/47/52/66/471475266.db2.gz VOXQHMXLPZSYCG-RBUKOAKNSA-N 2 2 345.487 2.097 10 0 EEAELP C[N@H+](Cc1ccc(OCC(F)(F)F)nn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655937636 471550713 /nfs/dbraw/zinc/55/07/13/471550713.db2.gz DBKKOLQJZGYBQG-QYJAPNMZSA-N 2 2 330.354 2.133 10 0 EEAELP C[N@@H+](Cc1ccc(OCC(F)(F)F)nn1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000655937636 471550718 /nfs/dbraw/zinc/55/07/18/471550718.db2.gz DBKKOLQJZGYBQG-QYJAPNMZSA-N 2 2 330.354 2.133 10 0 EEAELP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659475678 471647376 /nfs/dbraw/zinc/64/73/76/471647376.db2.gz PDZRZIGMFQONDX-GJZGRUSLSA-N 2 2 340.418 2.089 10 0 EEAELP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659475678 471647380 /nfs/dbraw/zinc/64/73/80/471647380.db2.gz PDZRZIGMFQONDX-GJZGRUSLSA-N 2 2 340.418 2.089 10 0 EEAELP C[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1[nH+]ccn1C ZINC000667248639 471708197 /nfs/dbraw/zinc/70/81/97/471708197.db2.gz CGLOAMJVMIPFTJ-DOMZBBRYSA-N 2 2 333.411 2.222 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000661405270 471746223 /nfs/dbraw/zinc/74/62/23/471746223.db2.gz UJXLHEMNCUVTDG-GOEBONIOSA-N 2 2 332.448 2.117 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000661405270 471746226 /nfs/dbraw/zinc/74/62/26/471746226.db2.gz UJXLHEMNCUVTDG-GOEBONIOSA-N 2 2 332.448 2.117 10 0 EEAELP Oc1cccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000667490085 471797753 /nfs/dbraw/zinc/79/77/53/471797753.db2.gz OZHPTJHVZOIINE-UHFFFAOYSA-N 2 2 335.411 2.295 10 0 EEAELP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1cccnc1 ZINC000664824759 471872714 /nfs/dbraw/zinc/87/27/14/471872714.db2.gz DAVSWDYTCUUGHF-LJQANCHMSA-N 2 2 342.487 2.208 10 0 EEAELP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1cccnc1 ZINC000664824759 471872718 /nfs/dbraw/zinc/87/27/18/471872718.db2.gz DAVSWDYTCUUGHF-LJQANCHMSA-N 2 2 342.487 2.208 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccccc1N1CCCC1 ZINC000665231756 471974635 /nfs/dbraw/zinc/97/46/35/471974635.db2.gz XWKQLFDXWGDBHI-UHFFFAOYSA-N 2 2 347.507 2.292 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccccc1N1CCCC1 ZINC000665231756 471974642 /nfs/dbraw/zinc/97/46/42/471974642.db2.gz XWKQLFDXWGDBHI-UHFFFAOYSA-N 2 2 347.507 2.292 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCCOC2)O1 ZINC000668098738 472007846 /nfs/dbraw/zinc/00/78/46/472007846.db2.gz QAZNAJBIEHTCNX-QAPCUYQASA-N 2 2 328.416 2.037 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCCOC2)O1 ZINC000668098738 472007851 /nfs/dbraw/zinc/00/78/51/472007851.db2.gz QAZNAJBIEHTCNX-QAPCUYQASA-N 2 2 328.416 2.037 10 0 EEAELP OC[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@@H]1C(F)(F)F ZINC000668144896 472025641 /nfs/dbraw/zinc/02/56/41/472025641.db2.gz ZOIMLRDSFWQSAB-WFASDCNBSA-N 2 2 340.349 2.260 10 0 EEAELP OC[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC[C@@H]1C(F)(F)F ZINC000668144896 472025643 /nfs/dbraw/zinc/02/56/43/472025643.db2.gz ZOIMLRDSFWQSAB-WFASDCNBSA-N 2 2 340.349 2.260 10 0 EEAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000668197651 472045626 /nfs/dbraw/zinc/04/56/26/472045626.db2.gz SEWWNKHILUBTSJ-KRWDZBQOSA-N 2 2 340.471 2.413 10 0 EEAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000668197651 472045630 /nfs/dbraw/zinc/04/56/30/472045630.db2.gz SEWWNKHILUBTSJ-KRWDZBQOSA-N 2 2 340.471 2.413 10 0 EEAELP COc1ccccc1[C@H]1C[NH2+]CCN1Cc1[nH+]ccc(OC)c1OC ZINC000662271447 472051492 /nfs/dbraw/zinc/05/14/92/472051492.db2.gz GZHVIFILUVLJLF-MRXNPFEDSA-N 2 2 343.427 2.254 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315333 472067100 /nfs/dbraw/zinc/06/71/00/472067100.db2.gz DYDQBBIRJJVRDP-TVFCKZIOSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315333 472067101 /nfs/dbraw/zinc/06/71/01/472067101.db2.gz DYDQBBIRJJVRDP-TVFCKZIOSA-N 2 2 339.524 2.112 10 0 EEAELP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668670543 472219107 /nfs/dbraw/zinc/21/91/07/472219107.db2.gz NGESFGRXABJCFA-CQSZACIVSA-N 2 2 342.443 2.231 10 0 EEAELP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668670543 472219111 /nfs/dbraw/zinc/21/91/11/472219111.db2.gz NGESFGRXABJCFA-CQSZACIVSA-N 2 2 342.443 2.231 10 0 EEAELP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C1 ZINC000668739923 472247676 /nfs/dbraw/zinc/24/76/76/472247676.db2.gz CZTRYVWURLUWAM-SFHVURJKSA-N 2 2 344.434 2.247 10 0 EEAELP O[C@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)C1 ZINC000668739923 472247679 /nfs/dbraw/zinc/24/76/79/472247679.db2.gz CZTRYVWURLUWAM-SFHVURJKSA-N 2 2 344.434 2.247 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccnn2-c2ccccc2)CCO1 ZINC000668784799 472267072 /nfs/dbraw/zinc/26/70/72/472267072.db2.gz IISUOXIBXBAXSL-IBGZPJMESA-N 2 2 328.460 2.415 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CCO1 ZINC000668784799 472267074 /nfs/dbraw/zinc/26/70/74/472267074.db2.gz IISUOXIBXBAXSL-IBGZPJMESA-N 2 2 328.460 2.415 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C ZINC000662825686 472269115 /nfs/dbraw/zinc/26/91/15/472269115.db2.gz LOKWRSUSFMVOKQ-UWWQBHOKSA-N 2 2 332.492 2.057 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C ZINC000662825686 472269119 /nfs/dbraw/zinc/26/91/19/472269119.db2.gz LOKWRSUSFMVOKQ-UWWQBHOKSA-N 2 2 332.492 2.057 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000651363025 485537612 /nfs/dbraw/zinc/53/76/12/485537612.db2.gz MEOQHYBZEVDDSC-CVEARBPZSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000651363025 485537617 /nfs/dbraw/zinc/53/76/17/485537617.db2.gz MEOQHYBZEVDDSC-CVEARBPZSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000651363025 485537620 /nfs/dbraw/zinc/53/76/20/485537620.db2.gz MEOQHYBZEVDDSC-CVEARBPZSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000651363025 485537624 /nfs/dbraw/zinc/53/76/24/485537624.db2.gz MEOQHYBZEVDDSC-CVEARBPZSA-N 2 2 335.496 2.074 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862834 485560247 /nfs/dbraw/zinc/56/02/47/485560247.db2.gz HHMKEUOEWBLIMB-UHFFFAOYSA-N 2 2 325.376 2.066 10 0 EEAELP COCc1n[nH]c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000658159083 485571634 /nfs/dbraw/zinc/57/16/34/485571634.db2.gz NHNUUSSLZAEIBY-GFCCVEGCSA-N 2 2 326.404 2.296 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652100 485588768 /nfs/dbraw/zinc/58/87/68/485588768.db2.gz GPCKUILQFKIONP-HXUWFJFHSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660652100 485588772 /nfs/dbraw/zinc/58/87/72/485588772.db2.gz GPCKUILQFKIONP-HXUWFJFHSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660652100 485588778 /nfs/dbraw/zinc/58/87/78/485588778.db2.gz GPCKUILQFKIONP-HXUWFJFHSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660652100 485588785 /nfs/dbraw/zinc/58/87/85/485588785.db2.gz GPCKUILQFKIONP-HXUWFJFHSA-N 2 2 329.488 2.453 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC1CC[NH+](C3CCCC3)CC1)CC2 ZINC000679895918 485837648 /nfs/dbraw/zinc/83/76/48/485837648.db2.gz QNHPKOPOSYJUHX-UHFFFAOYSA-N 2 2 331.464 2.124 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000120844180 490617710 /nfs/dbraw/zinc/61/77/10/490617710.db2.gz XYQGOQYJXGKEFB-GOSISDBHSA-N 2 2 333.524 2.240 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000120844180 490617719 /nfs/dbraw/zinc/61/77/19/490617719.db2.gz XYQGOQYJXGKEFB-GOSISDBHSA-N 2 2 333.524 2.240 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000120844180 490617722 /nfs/dbraw/zinc/61/77/22/490617722.db2.gz XYQGOQYJXGKEFB-GOSISDBHSA-N 2 2 333.524 2.240 10 0 EEAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000120844180 490617729 /nfs/dbraw/zinc/61/77/29/490617729.db2.gz XYQGOQYJXGKEFB-GOSISDBHSA-N 2 2 333.524 2.240 10 0 EEAELP O=S(=O)(CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925563542 684473204 /nfs/dbraw/zinc/47/32/04/684473204.db2.gz CXXCRXZGVQJCTL-ZWKOTPCHSA-N 2 2 336.501 2.218 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c[nH+]1 ZINC000897303510 686660403 /nfs/dbraw/zinc/66/04/03/686660403.db2.gz NDYFQRZTEXOPDD-UHFFFAOYSA-N 2 2 341.459 2.354 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]([NH2+]Cc1ccns1)C(C)C ZINC001485791512 1191954536 /nfs/dbraw/zinc/95/45/36/1191954536.db2.gz KGNDKJRTATVJKN-CQSZACIVSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1cnc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cn2cc[nH+]c2)s1 ZINC001266247031 1176018711 /nfs/dbraw/zinc/01/87/11/1176018711.db2.gz AHXHWYYSEQBKHL-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1cnc(C[N@H+]2CCC[C@H]2CCCNC(=O)Cn2cc[nH+]c2)s1 ZINC001266247031 1176018717 /nfs/dbraw/zinc/01/87/17/1176018717.db2.gz AHXHWYYSEQBKHL-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1ncc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)s1 ZINC001480864283 1176094710 /nfs/dbraw/zinc/09/47/10/1176094710.db2.gz MZFOCJFVHKVWAG-UHFFFAOYSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)s1 ZINC001480864283 1176094718 /nfs/dbraw/zinc/09/47/18/1176094718.db2.gz MZFOCJFVHKVWAG-UHFFFAOYSA-N 2 2 338.521 2.264 10 0 EEAELP CC(C)=CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001266409847 1176498873 /nfs/dbraw/zinc/49/88/73/1176498873.db2.gz RXYLUJWFVVMQJF-ZWKOTPCHSA-N 2 2 345.491 2.241 10 0 EEAELP CC(C)=CC[NH2+][C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001266409847 1176498879 /nfs/dbraw/zinc/49/88/79/1176498879.db2.gz RXYLUJWFVVMQJF-ZWKOTPCHSA-N 2 2 345.491 2.241 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266811190 1177469810 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1179838079 /nfs/dbraw/zinc/83/80/79/1179838079.db2.gz FIZIGIFGYYTQSX-DLBZAZTESA-N 2 2 326.444 2.391 10 0 EEAELP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1cc(C)ccc1F ZINC001481151829 1179935895 /nfs/dbraw/zinc/93/58/95/1179935895.db2.gz UIHAVPHHHMHDRH-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1cc(C)ccc1F ZINC001481151829 1179935904 /nfs/dbraw/zinc/93/59/04/1179935904.db2.gz UIHAVPHHHMHDRH-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001267930190 1180779656 /nfs/dbraw/zinc/77/96/56/1180779656.db2.gz YNXPPSAKNMDXAG-ULQDDVLXSA-N 2 2 336.480 2.276 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CCCC1CCC1 ZINC001267990978 1180930280 /nfs/dbraw/zinc/93/02/80/1180930280.db2.gz MRGFBBPBHUNNSX-WBVHZDCISA-N 2 2 332.492 2.368 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CCc1[nH+]ccn1C ZINC001268385835 1182424433 /nfs/dbraw/zinc/42/44/33/1182424433.db2.gz IZHDUNKOAFKNRS-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001268453166 1182661225 /nfs/dbraw/zinc/66/12/25/1182661225.db2.gz GMJVUGKUBMVULD-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268453166 1182661230 /nfs/dbraw/zinc/66/12/30/1182661230.db2.gz GMJVUGKUBMVULD-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC001481780774 1182691856 /nfs/dbraw/zinc/69/18/56/1182691856.db2.gz MKBDSXFPEUWZNQ-SFHVURJKSA-N 2 2 344.434 2.476 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC001481780774 1182691859 /nfs/dbraw/zinc/69/18/59/1182691859.db2.gz MKBDSXFPEUWZNQ-SFHVURJKSA-N 2 2 344.434 2.476 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCc1ccccc1 ZINC001481827393 1182757783 /nfs/dbraw/zinc/75/77/83/1182757783.db2.gz ZHTVNDSCINVIQH-QZTJIDSGSA-N 2 2 340.471 2.173 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001481869703 1182843743 /nfs/dbraw/zinc/84/37/43/1182843743.db2.gz KMDXPLBMXXHRPL-MRXNPFEDSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1nc(C[NH2+]CC2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCCC2)co1 ZINC001481907295 1182924762 /nfs/dbraw/zinc/92/47/62/1182924762.db2.gz JRDNYLDRDOBYAM-CQSZACIVSA-N 2 2 345.447 2.349 10 0 EEAELP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001268553064 1183243856 /nfs/dbraw/zinc/24/38/56/1183243856.db2.gz WNNUOELZEDKQFO-GJBLVYBDSA-N 2 2 344.912 2.145 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001268562951 1183263064 /nfs/dbraw/zinc/26/30/64/1183263064.db2.gz ZUSPTSYVERAWOK-QDLOVBKTSA-N 2 2 330.476 2.144 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC1CC2(CCC2)C1 ZINC001482144014 1183461341 /nfs/dbraw/zinc/46/13/41/1183461341.db2.gz UDOKGXUPUPGGIW-DJIMGWMZSA-N 2 2 344.503 2.446 10 0 EEAELP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268803551 1183721410 /nfs/dbraw/zinc/72/14/10/1183721410.db2.gz LPYFTXPCQVBLIF-LBPRGKRZSA-N 2 2 345.274 2.203 10 0 EEAELP CN(CCC[NH2+]Cc1ccon1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268809606 1183729533 /nfs/dbraw/zinc/72/95/33/1183729533.db2.gz VHFJVBZLVRHNQP-UHFFFAOYSA-N 2 2 339.399 2.112 10 0 EEAELP O=C(N[C@H](C[NH2+]CCC(F)(F)F)C1CC1)c1cccc2[nH+]ccn21 ZINC001269093666 1183955242 /nfs/dbraw/zinc/95/52/42/1183955242.db2.gz BLUIRXMUDHGKIR-GFCCVEGCSA-N 2 2 340.349 2.385 10 0 EEAELP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001269173542 1184029322 /nfs/dbraw/zinc/02/93/22/1184029322.db2.gz AOQWMPSIEDUKTH-SJLPKXTDSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCCC1 ZINC001482239162 1184560590 /nfs/dbraw/zinc/56/05/90/1184560590.db2.gz QYEOYHFNZMURAF-UHFFFAOYSA-N 2 2 347.488 2.175 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001482292246 1185127140 /nfs/dbraw/zinc/12/71/40/1185127140.db2.gz POPSOSMDKBXEIO-LBPRGKRZSA-N 2 2 335.839 2.027 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001482292246 1185127142 /nfs/dbraw/zinc/12/71/42/1185127142.db2.gz POPSOSMDKBXEIO-LBPRGKRZSA-N 2 2 335.839 2.027 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001482336298 1185429810 /nfs/dbraw/zinc/42/98/10/1185429810.db2.gz BRIZRRLEARHINL-CHWSQXEVSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(C(C)C)n1 ZINC001482358111 1185503192 /nfs/dbraw/zinc/50/31/92/1185503192.db2.gz GNUIOHBPXSXBMC-AWEZNQCLSA-N 2 2 343.475 2.416 10 0 EEAELP CN(CC[N@H+](C)Cc1cnc(Cl)s1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001482642569 1187472661 /nfs/dbraw/zinc/47/26/61/1187472661.db2.gz MEXHFUHSFFZBNM-LBPRGKRZSA-N 2 2 344.912 2.029 10 0 EEAELP CN(CC[N@@H+](C)Cc1cnc(Cl)s1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001482642569 1187472663 /nfs/dbraw/zinc/47/26/63/1187472663.db2.gz MEXHFUHSFFZBNM-LBPRGKRZSA-N 2 2 344.912 2.029 10 0 EEAELP CN(CC[NH+](C)Cc1cnc(Cl)s1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482642569 1187472665 /nfs/dbraw/zinc/47/26/65/1187472665.db2.gz MEXHFUHSFFZBNM-LBPRGKRZSA-N 2 2 344.912 2.029 10 0 EEAELP CN(CC[NH+](C)Cc1cnc(Cl)s1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482642569 1187472668 /nfs/dbraw/zinc/47/26/68/1187472668.db2.gz MEXHFUHSFFZBNM-LBPRGKRZSA-N 2 2 344.912 2.029 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001482665156 1187542546 /nfs/dbraw/zinc/54/25/46/1187542546.db2.gz BENIFPXMBPTVJA-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@@H]21 ZINC001482665156 1187542548 /nfs/dbraw/zinc/54/25/48/1187542548.db2.gz BENIFPXMBPTVJA-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001482696037 1187666162 /nfs/dbraw/zinc/66/61/62/1187666162.db2.gz BJGFMKAVDYIMGP-ZIAGYGMSSA-N 2 2 346.397 2.490 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001272838337 1193571551 /nfs/dbraw/zinc/57/15/51/1193571551.db2.gz VZJDBKVLCIVGEE-LERXQTSPSA-N 2 2 347.488 2.271 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC001272838337 1193571553 /nfs/dbraw/zinc/57/15/53/1193571553.db2.gz VZJDBKVLCIVGEE-LERXQTSPSA-N 2 2 347.488 2.271 10 0 EEAELP CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001483143619 1188746150 /nfs/dbraw/zinc/74/61/50/1188746150.db2.gz GANBNOIDQQBTAA-CRAIPNDOSA-N 2 2 340.471 2.302 10 0 EEAELP C[C@@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272866271 1193583789 /nfs/dbraw/zinc/58/37/89/1193583789.db2.gz ULZRTPGJAZBBNB-DZGCQCFKSA-N 2 2 330.432 2.230 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001272874561 1193587762 /nfs/dbraw/zinc/58/77/62/1193587762.db2.gz XANUQPPTRGYVET-FUHWJXTLSA-N 2 2 340.471 2.439 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C[NH2+]CC2CC2)CCCCC1 ZINC001409771687 1190266649 /nfs/dbraw/zinc/26/66/49/1190266649.db2.gz BSOADPJDKAYDBH-HZPDHXFCSA-N 2 2 330.476 2.342 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483242271 1190270495 /nfs/dbraw/zinc/27/04/95/1190270495.db2.gz CSOQWWMSYUXKAJ-JSGCOSHPSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCCc2ccc(F)cc21)NC(=O)Cn1cc[nH+]c1 ZINC001483299537 1190323055 /nfs/dbraw/zinc/32/30/55/1190323055.db2.gz ACELXVSXSMOZEB-GUYCJALGSA-N 2 2 330.407 2.194 10 0 EEAELP CC(C)c1ocnc1C[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001483504666 1190518186 /nfs/dbraw/zinc/51/81/86/1190518186.db2.gz ZENXZLZPIDNXSN-UHFFFAOYSA-N 2 2 347.463 2.437 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483653378 1190710202 /nfs/dbraw/zinc/71/02/02/1190710202.db2.gz QEKKECAGXUIWEZ-CWIOURORSA-N 2 2 330.476 2.309 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483653378 1190710203 /nfs/dbraw/zinc/71/02/03/1190710203.db2.gz QEKKECAGXUIWEZ-CWIOURORSA-N 2 2 330.476 2.309 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)N1CC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC001272582694 1190898015 /nfs/dbraw/zinc/89/80/15/1190898015.db2.gz SOUAWEYSIDMDPI-HNNXBMFYSA-N 2 2 345.447 2.023 10 0 EEAELP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CC[C@H]2CCCO2)C1)c1c[nH+]c[nH]1 ZINC001484546146 1191407998 /nfs/dbraw/zinc/40/79/98/1191407998.db2.gz DCBLDIIHZIEGSR-JKSUJKDBSA-N 2 2 348.491 2.085 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CCC1 ZINC001484664955 1191463596 /nfs/dbraw/zinc/46/35/96/1191463596.db2.gz VXRZDFMSBLHBBJ-GFCCVEGCSA-N 2 2 345.274 2.096 10 0 EEAELP CCC1([NH2+]C[C@H]2CC[C@H](C)O2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484819137 1191539169 /nfs/dbraw/zinc/53/91/69/1191539169.db2.gz HSEJYZPTNIOVGU-GOEBONIOSA-N 2 2 348.491 2.189 10 0 EEAELP CCC1([NH2+]CCOCC2CCC2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001484820424 1191539678 /nfs/dbraw/zinc/53/96/78/1191539678.db2.gz RQXZMQPQRXFTJI-UHFFFAOYSA-N 2 2 348.491 2.061 10 0 EEAELP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484919383 1191575327 /nfs/dbraw/zinc/57/53/27/1191575327.db2.gz BDSIOPNVNOKCAZ-HZPDHXFCSA-N 2 2 332.492 2.462 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF ZINC001485045333 1191624679 /nfs/dbraw/zinc/62/46/79/1191624679.db2.gz UHBFJWSEJIRRDG-IEBWSBKVSA-N 2 2 344.434 2.084 10 0 EEAELP C[C@@H]([NH2+]Cc1ccncc1Cl)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001485218251 1191690014 /nfs/dbraw/zinc/69/00/14/1191690014.db2.gz CMGUVQCJCGLOLL-OLZOCXBDSA-N 2 2 349.866 2.084 10 0 EEAELP COCCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001485251710 1191704255 /nfs/dbraw/zinc/70/42/55/1191704255.db2.gz LQAKXLWADBHSIM-UHFFFAOYSA-N 2 2 346.475 2.367 10 0 EEAELP COCCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001486178943 1193716768 /nfs/dbraw/zinc/71/67/68/1193716768.db2.gz WOCHDTFDXVHLSQ-HIFRSBDPSA-N 2 2 330.432 2.182 10 0 EEAELP COCCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001486178943 1193716770 /nfs/dbraw/zinc/71/67/70/1193716770.db2.gz WOCHDTFDXVHLSQ-HIFRSBDPSA-N 2 2 330.432 2.182 10 0 EEAELP COc1ccc(C[N@H+](C)CCN(C(=O)Cn2cc[nH+]c2)C(C)C)cc1 ZINC001486380336 1193891996 /nfs/dbraw/zinc/89/19/96/1193891996.db2.gz DQNSUGZOKMONJL-UHFFFAOYSA-N 2 2 344.459 2.261 10 0 EEAELP COc1ccc(C[N@@H+](C)CCN(C(=O)Cn2cc[nH+]c2)C(C)C)cc1 ZINC001486380336 1193891997 /nfs/dbraw/zinc/89/19/97/1193891997.db2.gz DQNSUGZOKMONJL-UHFFFAOYSA-N 2 2 344.459 2.261 10 0 EEAELP C[C@H](CC(=O)NCC1=CC[N@H+](CC[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001486516187 1194022166 /nfs/dbraw/zinc/02/21/66/1194022166.db2.gz BTOMUMPHXCMNGI-AEFFLSMTSA-N 2 2 346.475 2.009 10 0 EEAELP C[C@H](CC(=O)NCC1=CC[N@@H+](CC[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001486516187 1194022168 /nfs/dbraw/zinc/02/21/68/1194022168.db2.gz BTOMUMPHXCMNGI-AEFFLSMTSA-N 2 2 346.475 2.009 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](Cc2nccs2)CC1 ZINC001486510744 1194028496 /nfs/dbraw/zinc/02/84/96/1194028496.db2.gz QWLCVDVQIOZVHW-MRXNPFEDSA-N 2 2 348.516 2.266 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](Cc2nccs2)CC1 ZINC001486510744 1194028500 /nfs/dbraw/zinc/02/85/00/1194028500.db2.gz QWLCVDVQIOZVHW-MRXNPFEDSA-N 2 2 348.516 2.266 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001486510744 1194028505 /nfs/dbraw/zinc/02/85/05/1194028505.db2.gz QWLCVDVQIOZVHW-MRXNPFEDSA-N 2 2 348.516 2.266 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001486510744 1194028509 /nfs/dbraw/zinc/02/85/09/1194028509.db2.gz QWLCVDVQIOZVHW-MRXNPFEDSA-N 2 2 348.516 2.266 10 0 EEAELP COc1c(N)[nH+]cnc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702317064 1195847403 /nfs/dbraw/zinc/84/74/03/1195847403.db2.gz RKEHTWYUMLUPPG-HNAYVOBHSA-N 2 2 339.443 2.026 10 0 EEAELP COc1c(N)[nH+]cnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702317064 1195847407 /nfs/dbraw/zinc/84/74/07/1195847407.db2.gz RKEHTWYUMLUPPG-HNAYVOBHSA-N 2 2 339.443 2.026 10 0 EEAELP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000863981729 1197947722 /nfs/dbraw/zinc/94/77/22/1197947722.db2.gz MFFVPJOITKHEQP-KRWDZBQOSA-N 2 2 348.834 2.311 10 0 EEAELP C[N@H+]1CCC[C@](O)(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000863981729 1197947731 /nfs/dbraw/zinc/94/77/31/1197947731.db2.gz MFFVPJOITKHEQP-KRWDZBQOSA-N 2 2 348.834 2.311 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n(CC2CCC2)n1 ZINC000865462303 1198230552 /nfs/dbraw/zinc/23/05/52/1198230552.db2.gz JJSSJMBWEBJTBZ-IBGZPJMESA-N 2 2 332.492 2.416 10 0 EEAELP CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865876373 1198411433 /nfs/dbraw/zinc/41/14/33/1198411433.db2.gz IGMJKHXGIWXONH-AEFFLSMTSA-N 2 2 336.476 2.037 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@H]2C1 ZINC001410934403 1198604126 /nfs/dbraw/zinc/60/41/26/1198604126.db2.gz ZOIGFYARZNMNQN-BZSNNMDCSA-N 2 2 330.476 2.290 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)C)c(C)n1 ZINC001411194741 1198890625 /nfs/dbraw/zinc/89/06/25/1198890625.db2.gz NYPLQMYWZHCCJP-UHFFFAOYSA-N 2 2 343.475 2.333 10 0 EEAELP Cc1ccc(C[N@H+](C)CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)C)c(C)n1 ZINC001411194741 1198890628 /nfs/dbraw/zinc/89/06/28/1198890628.db2.gz NYPLQMYWZHCCJP-UHFFFAOYSA-N 2 2 343.475 2.333 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]Cc1cncc(F)c1)NC(=O)CCn1cc[nH+]c1 ZINC001411214766 1198925077 /nfs/dbraw/zinc/92/50/77/1198925077.db2.gz NIYMGKVPVYCCJF-MRXNPFEDSA-N 2 2 347.438 2.128 10 0 EEAELP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cc12 ZINC000810171711 1199310273 /nfs/dbraw/zinc/31/02/73/1199310273.db2.gz QVXZUWVIYLACAE-NSHDSACASA-N 2 2 330.823 2.300 10 0 EEAELP C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000866115695 1201437284 /nfs/dbraw/zinc/43/72/84/1201437284.db2.gz VCMZJWKEPNIZKW-XMTFNYHQSA-N 2 2 333.520 2.345 10 0 EEAELP C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704536 1201585299 /nfs/dbraw/zinc/58/52/99/1201585299.db2.gz OKWBEDHLCFFMFD-KDOFPFPSSA-N 2 2 328.464 2.420 10 0 EEAELP C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704536 1201585302 /nfs/dbraw/zinc/58/53/02/1201585302.db2.gz OKWBEDHLCFFMFD-KDOFPFPSSA-N 2 2 328.464 2.420 10 0 EEAELP c1cc(CC[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)sn1 ZINC000883239341 1202034617 /nfs/dbraw/zinc/03/46/17/1202034617.db2.gz DBWSWOWUHJQRSP-UHFFFAOYSA-N 2 2 347.484 2.186 10 0 EEAELP COCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691723393 1204196841 /nfs/dbraw/zinc/19/68/41/1204196841.db2.gz ABKWCBLSFXUYSR-KBXCAEBGSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]Cc3ccns3)ccn12 ZINC001274024512 1204332607 /nfs/dbraw/zinc/33/26/07/1204332607.db2.gz IPFXOQHQHGGFMH-IHWYPQMZSA-N 2 2 341.440 2.175 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001274141864 1204400687 /nfs/dbraw/zinc/40/06/87/1204400687.db2.gz JQWWVNBCEDZQNK-KVLZDYKBSA-N 2 2 338.455 2.216 10 0 EEAELP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001274510648 1205062588 /nfs/dbraw/zinc/06/25/88/1205062588.db2.gz MJPQQSGATSLSAJ-NFAHFFEMSA-N 2 2 348.491 2.076 10 0 EEAELP C[N@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001274510648 1205062590 /nfs/dbraw/zinc/06/25/90/1205062590.db2.gz MJPQQSGATSLSAJ-NFAHFFEMSA-N 2 2 348.491 2.076 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001274951713 1205216688 /nfs/dbraw/zinc/21/66/88/1205216688.db2.gz ROLQJIOMYZBLNW-HZPDHXFCSA-N 2 2 328.460 2.234 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001274951713 1205216689 /nfs/dbraw/zinc/21/66/89/1205216689.db2.gz ROLQJIOMYZBLNW-HZPDHXFCSA-N 2 2 328.460 2.234 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]CC=C(Cl)Cl)c[nH+]1 ZINC001275202480 1205279707 /nfs/dbraw/zinc/27/97/07/1205279707.db2.gz JURBSFOGLUZERW-JTQLQIEISA-N 2 2 333.263 2.340 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001275209138 1205282170 /nfs/dbraw/zinc/28/21/70/1205282170.db2.gz PXXAYFDGRIDGKV-GQQIISMTSA-N 2 2 338.455 2.253 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001275526459 1205396269 /nfs/dbraw/zinc/39/62/69/1205396269.db2.gz GFVWYIAMUIXEJN-QWHCGFSZSA-N 2 2 325.416 2.117 10 0 EEAELP CN(CCC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001276083274 1205765929 /nfs/dbraw/zinc/76/59/29/1205765929.db2.gz DZRWRKXTYKQASN-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1ccncc1C[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001276129141 1205791747 /nfs/dbraw/zinc/79/17/47/1205791747.db2.gz YHCRJLMVPWTEOC-UHFFFAOYSA-N 2 2 337.427 2.290 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1 ZINC001276271066 1205863504 /nfs/dbraw/zinc/86/35/04/1205863504.db2.gz AORSZDIKIRYMEG-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1 ZINC001276271066 1205863505 /nfs/dbraw/zinc/86/35/05/1205863505.db2.gz AORSZDIKIRYMEG-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP CC1(C)[C@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925672493 1206142351 /nfs/dbraw/zinc/14/23/51/1206142351.db2.gz JGLIDDJEEFHVMV-SKWUIDRYSA-N 2 2 345.487 2.363 10 0 EEAELP Cn1ncc(Br)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925726597 1206146772 /nfs/dbraw/zinc/14/67/72/1206146772.db2.gz UMLZEIFQRQLONP-JSGCOSHPSA-N 2 2 341.297 2.441 10 0 EEAELP C[C@@H](NCc1cc(N)cc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000925772694 1206152540 /nfs/dbraw/zinc/15/25/40/1206152540.db2.gz VPTHCFXQFVRTOY-BEFAXECRSA-N 2 2 326.444 2.043 10 0 EEAELP C[C@@H](NCc1cc(N)cc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000925772694 1206152543 /nfs/dbraw/zinc/15/25/43/1206152543.db2.gz VPTHCFXQFVRTOY-BEFAXECRSA-N 2 2 326.444 2.043 10 0 EEAELP Cc1ccc(-c2ncco2)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926080573 1206188971 /nfs/dbraw/zinc/18/89/71/1206188971.db2.gz ZECOBVUPBLORNL-UHFFFAOYSA-N 2 2 343.431 2.195 10 0 EEAELP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000929281546 1206462265 /nfs/dbraw/zinc/46/22/65/1206462265.db2.gz BXABVULXZUANQL-UHFFFAOYSA-N 2 2 327.270 2.200 10 0 EEAELP O[C@H](CC[C@@H](O)c1ccccc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929803278 1206503700 /nfs/dbraw/zinc/50/37/00/1206503700.db2.gz FWIFRQISHZHNFC-RTBURBONSA-N 2 2 329.444 2.395 10 0 EEAELP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931510952 1207401935 /nfs/dbraw/zinc/40/19/35/1207401935.db2.gz ADLCNORAIUEERM-HNNXBMFYSA-N 2 2 327.428 2.079 10 0 EEAELP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931510952 1207401938 /nfs/dbraw/zinc/40/19/38/1207401938.db2.gz ADLCNORAIUEERM-HNNXBMFYSA-N 2 2 327.428 2.079 10 0 EEAELP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H](O)c1ccc2c(c1)OCO2 ZINC000796358512 1213877331 /nfs/dbraw/zinc/87/73/31/1213877331.db2.gz GTDYGGVTAQKIMQ-GTNSWQLSSA-N 2 2 349.456 2.145 10 0 EEAELP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)CCc1c[nH+]cn1C ZINC001276360134 1214093946 /nfs/dbraw/zinc/09/39/46/1214093946.db2.gz NCTQCPVZSMMDCF-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP C[C@@H](CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC001412951435 1216149686 /nfs/dbraw/zinc/14/96/86/1216149686.db2.gz GKVACLPIMMJDOO-AZUAARDMSA-N 2 2 331.504 2.161 10 0 EEAELP C[C@@H](CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC001412951435 1216149687 /nfs/dbraw/zinc/14/96/87/1216149687.db2.gz GKVACLPIMMJDOO-AZUAARDMSA-N 2 2 331.504 2.161 10 0 EEAELP COc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)c1OC ZINC000827699604 1248653708 /nfs/dbraw/zinc/65/37/08/1248653708.db2.gz JOFLAUVECPCXRS-KRWDZBQOSA-N 2 2 334.460 2.043 10 0 EEAELP COc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C)c1OC ZINC000827699604 1248653722 /nfs/dbraw/zinc/65/37/22/1248653722.db2.gz JOFLAUVECPCXRS-KRWDZBQOSA-N 2 2 334.460 2.043 10 0 EEAELP CC(C)(C)OC(=O)CCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001413053640 1223211804 /nfs/dbraw/zinc/21/18/04/1223211804.db2.gz AOBZCVZVAQEOCU-UHFFFAOYSA-N 2 2 326.481 2.341 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C34CC[NH+](CC3)C4)n2)C1 ZINC000900327723 1234217026 /nfs/dbraw/zinc/21/70/26/1234217026.db2.gz XSSYZXKNNXZRJJ-ZDUSSCGKSA-N 2 2 334.489 2.409 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C34CC[NH+](CC3)C4)n2)C1 ZINC000900327723 1234217029 /nfs/dbraw/zinc/21/70/29/1234217029.db2.gz XSSYZXKNNXZRJJ-ZDUSSCGKSA-N 2 2 334.489 2.409 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+]3C)n2)C1 ZINC000902934153 1239121654 /nfs/dbraw/zinc/12/16/54/1239121654.db2.gz NRZITJRREYDPSK-GXTWGEPZSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+]3C)n2)C1 ZINC000902934153 1239121661 /nfs/dbraw/zinc/12/16/61/1239121661.db2.gz NRZITJRREYDPSK-GXTWGEPZSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@@H+]3C)n2)C1 ZINC000902934153 1239121664 /nfs/dbraw/zinc/12/16/64/1239121664.db2.gz NRZITJRREYDPSK-GXTWGEPZSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@H+]3C)n2)C1 ZINC000902934153 1239121671 /nfs/dbraw/zinc/12/16/71/1239121671.db2.gz NRZITJRREYDPSK-GXTWGEPZSA-N 2 2 337.493 2.201 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CCc2ccccc2)c2cccnc2)C1 ZINC000902953252 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C[C@@H]1CC[C@H](C[NH2+]CCN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)O1 ZINC001317615436 1332328364 /nfs/dbraw/zinc/32/83/64/1332328364.db2.gz WYHOPRTVXJOWDD-CRAIPNDOSA-N 2 2 342.443 2.101 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCc1ccccc1 ZINC001318233265 1332493926 /nfs/dbraw/zinc/49/39/26/1332493926.db2.gz WMNVHYIETKKAIN-OALUTQOASA-N 2 2 338.455 2.191 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCc1ccccc1 ZINC001318233265 1332493928 /nfs/dbraw/zinc/49/39/28/1332493928.db2.gz WMNVHYIETKKAIN-OALUTQOASA-N 2 2 338.455 2.191 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001320467542 1332890925 /nfs/dbraw/zinc/89/09/25/1332890925.db2.gz BYYOMUKWXIQJOD-WMZOPIPTSA-N 2 2 340.471 2.439 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001321129163 1333026625 /nfs/dbraw/zinc/02/66/25/1333026625.db2.gz YKCZSQHNOJLUEJ-IMLGJKEDSA-N 2 2 342.487 2.288 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 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WCQLWUWNUKNDAY-SFHVURJKSA-N 2 2 326.444 2.097 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CCCCc1ccccc1 ZINC001323372404 1333451772 /nfs/dbraw/zinc/45/17/72/1333451772.db2.gz WCQLWUWNUKNDAY-SFHVURJKSA-N 2 2 326.444 2.097 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCCCF ZINC001325899941 1333989696 /nfs/dbraw/zinc/98/96/96/1333989696.db2.gz ROVSKFYVMCKQHR-IRXDYDNUSA-N 2 2 336.455 2.478 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCCCF ZINC001325899941 1333989697 /nfs/dbraw/zinc/98/96/97/1333989697.db2.gz ROVSKFYVMCKQHR-IRXDYDNUSA-N 2 2 336.455 2.478 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC001326289475 1334060670 /nfs/dbraw/zinc/06/06/70/1334060670.db2.gz QPOVTBCXCRLIML-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC001329153036 1334595750 /nfs/dbraw/zinc/59/57/50/1334595750.db2.gz UBIHUFDOOIVKAG-UONOGXRCSA-N 2 2 337.427 2.183 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001330612810 1334877340 /nfs/dbraw/zinc/87/73/40/1334877340.db2.gz GZFRNONAOQNURF-BZUAXINKSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccc2c(c1)COC2)NC(=O)Cc1c[nH]c[nH+]1 ZINC001330926013 1334928093 /nfs/dbraw/zinc/92/80/93/1334928093.db2.gz FUEPJFIAPFKCSD-AWEZNQCLSA-N 2 2 342.443 2.057 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001332320133 1335801290 /nfs/dbraw/zinc/80/12/90/1335801290.db2.gz FDWPHGDRBPWBPY-IAGOWNOFSA-N 2 2 332.492 2.417 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)C1 ZINC000848659768 1338737292 /nfs/dbraw/zinc/73/72/92/1338737292.db2.gz RUKBWEXYXVTNMU-HZPDHXFCSA-N 2 2 345.491 2.378 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2)C1 ZINC000848659768 1338737293 /nfs/dbraw/zinc/73/72/93/1338737293.db2.gz RUKBWEXYXVTNMU-HZPDHXFCSA-N 2 2 345.491 2.378 10 0 EEAELP Clc1ccc(N2CC[NH+](CCC[N@@H+]3C[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001434484422 1341855233 /nfs/dbraw/zinc/85/52/33/1341855233.db2.gz MXPUFECZQYDLGX-CALCHBBNSA-N 2 2 349.906 2.430 10 0 EEAELP Clc1ccc(N2CC[NH+](CCC[N@H+]3C[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001434484422 1341855235 /nfs/dbraw/zinc/85/52/35/1341855235.db2.gz MXPUFECZQYDLGX-CALCHBBNSA-N 2 2 349.906 2.430 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001674155975 1356802099 /nfs/dbraw/zinc/80/20/99/1356802099.db2.gz RVVNBEJUVCMKRU-GOEBONIOSA-N 2 2 336.480 2.046 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001674155975 1356802103 /nfs/dbraw/zinc/80/21/03/1356802103.db2.gz RVVNBEJUVCMKRU-GOEBONIOSA-N 2 2 336.480 2.046 10 0 EEAELP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC001676002041 1357085926 /nfs/dbraw/zinc/08/59/26/1357085926.db2.gz OKXOGCVZGFGSEM-MRXNPFEDSA-N 2 2 328.460 2.346 10 0 EEAELP C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccnc(Cl)c1)n1cc[nH+]c1 ZINC001567307309 1342737263 /nfs/dbraw/zinc/73/72/63/1342737263.db2.gz VHEHBTRORGSTKV-ZDUSSCGKSA-N 2 2 335.839 2.131 10 0 EEAELP C[C@@H](CC(=O)NCC[N@@H+](C)Cc1ccnc(Cl)c1)n1cc[nH+]c1 ZINC001567307309 1342737268 /nfs/dbraw/zinc/73/72/68/1342737268.db2.gz VHEHBTRORGSTKV-ZDUSSCGKSA-N 2 2 335.839 2.131 10 0 EEAELP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567731491 1342826160 /nfs/dbraw/zinc/82/61/60/1342826160.db2.gz NLQFJZLJNBNRPH-IRXDYDNUSA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567731491 1342826164 /nfs/dbraw/zinc/82/61/64/1342826164.db2.gz NLQFJZLJNBNRPH-IRXDYDNUSA-N 2 2 332.492 2.416 10 0 EEAELP CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001571535498 1343231212 /nfs/dbraw/zinc/23/12/12/1343231212.db2.gz CTLMJVVCTNBXII-HZPDHXFCSA-N 2 2 332.492 2.437 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001571690942 1343273659 /nfs/dbraw/zinc/27/36/59/1343273659.db2.gz TXJCICUGVMYAPA-UHFFFAOYSA-N 2 2 342.418 2.279 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001571690942 1343273662 /nfs/dbraw/zinc/27/36/62/1343273662.db2.gz TXJCICUGVMYAPA-UHFFFAOYSA-N 2 2 342.418 2.279 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676976839 1357254121 /nfs/dbraw/zinc/25/41/21/1357254121.db2.gz XVWBGADIRYOCBQ-UONOGXRCSA-N 2 2 346.397 2.490 10 0 EEAELP COCCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001677008823 1357261311 /nfs/dbraw/zinc/26/13/11/1357261311.db2.gz WNKAAUDAHIOTBB-MRXNPFEDSA-N 2 2 344.459 2.201 10 0 EEAELP CCOCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001677014197 1357262708 /nfs/dbraw/zinc/26/27/08/1357262708.db2.gz XIFNHBXPPKAUNJ-MRXNPFEDSA-N 2 2 333.476 2.484 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001677051317 1357270950 /nfs/dbraw/zinc/27/09/50/1357270950.db2.gz BGGWCXFJOHBAOS-KGLIPLIRSA-N 2 2 346.397 2.156 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2CC=C(CNC(=O)C[NH+]3CC[C@@H](C)C3)CC2)o1 ZINC001677603122 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ZINC001445824427 1091706159 /nfs/dbraw/zinc/70/61/59/1091706159.db2.gz RHBJLZAPLIBHJA-LSDHHAIUSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](C[N@H+](C)CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445824427 1091706161 /nfs/dbraw/zinc/70/61/61/1091706161.db2.gz RHBJLZAPLIBHJA-LSDHHAIUSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445824427 1091706166 /nfs/dbraw/zinc/70/61/66/1091706166.db2.gz RHBJLZAPLIBHJA-LSDHHAIUSA-N 2 2 346.450 2.407 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001446071380 1092088835 /nfs/dbraw/zinc/08/88/35/1092088835.db2.gz OCURNSRFPLQWSA-MRXNPFEDSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001446071380 1092088846 /nfs/dbraw/zinc/08/88/46/1092088846.db2.gz OCURNSRFPLQWSA-MRXNPFEDSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H]2CNC(=O)C[NH+](C)CC(C)(C)C)cn1 ZINC001446094853 1092121424 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CC/C=C\CC[NH2+][C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001480463943 1100270284 /nfs/dbraw/zinc/27/02/84/1100270284.db2.gz KIAUKQNPQMXWRY-SWFLQVRRSA-N 2 2 333.480 2.241 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cccc2cccnc21 ZINC001480481449 1100289897 /nfs/dbraw/zinc/28/98/97/1100289897.db2.gz XFNTUGKZUSEZTO-KBRIMQKVSA-N 2 2 349.438 2.356 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cccc2cccnc21 ZINC001480481449 1100289905 /nfs/dbraw/zinc/28/99/05/1100289905.db2.gz XFNTUGKZUSEZTO-KBRIMQKVSA-N 2 2 349.438 2.356 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001480546548 1100381430 /nfs/dbraw/zinc/38/14/30/1100381430.db2.gz QDIZTIXFEPTZJK-HZPDHXFCSA-N 2 2 344.459 2.446 10 0 EEAELP C[C@@H]([NH2+]CCOC1CCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001496445190 1101035814 /nfs/dbraw/zinc/03/58/14/1101035814.db2.gz QLCWJFIUVKORHC-SJORKVTESA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446559791 1101040301 /nfs/dbraw/zinc/04/03/01/1101040301.db2.gz HCHVYAUCLOXJEX-KBXCAEBGSA-N 2 2 330.407 2.364 10 0 EEAELP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446559791 1101040312 /nfs/dbraw/zinc/04/03/12/1101040312.db2.gz HCHVYAUCLOXJEX-KBXCAEBGSA-N 2 2 330.407 2.364 10 0 EEAELP CC(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001495417902 1101137328 /nfs/dbraw/zinc/13/73/28/1101137328.db2.gz JBHXAQJVWPASOX-KRWDZBQOSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001495419080 1101138887 /nfs/dbraw/zinc/13/88/87/1101138887.db2.gz SXQNGHMDOGBZAO-KRWDZBQOSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1nc(C[NH2+]Cc2ccc(CNC(=O)CC[NH+](C)C)cc2)oc1C ZINC001495494680 1101204823 /nfs/dbraw/zinc/20/48/23/1101204823.db2.gz HMRAIFHOTWYRPX-UHFFFAOYSA-N 2 2 344.459 2.149 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001495581886 1101289181 /nfs/dbraw/zinc/28/91/81/1101289181.db2.gz JMAHXKMOPDTGDA-CYBMUJFWSA-N 2 2 332.370 2.265 10 0 EEAELP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC001447083401 1101955472 /nfs/dbraw/zinc/95/54/72/1101955472.db2.gz UZIWHHXTGBEHJI-JTDSTZFVSA-N 2 2 345.487 2.211 10 0 EEAELP CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC001447083401 1101955474 /nfs/dbraw/zinc/95/54/74/1101955474.db2.gz UZIWHHXTGBEHJI-JTDSTZFVSA-N 2 2 345.487 2.211 10 0 EEAELP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC001447083401 1101955477 /nfs/dbraw/zinc/95/54/77/1101955477.db2.gz UZIWHHXTGBEHJI-JTDSTZFVSA-N 2 2 345.487 2.211 10 0 EEAELP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC001447083401 1101955481 /nfs/dbraw/zinc/95/54/81/1101955481.db2.gz UZIWHHXTGBEHJI-JTDSTZFVSA-N 2 2 345.487 2.211 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1C1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001497336928 1102348039 /nfs/dbraw/zinc/34/80/39/1102348039.db2.gz LXXDETFOUNOXPY-HNNXBMFYSA-N 2 2 326.444 2.445 10 0 EEAELP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001497460922 1102522978 /nfs/dbraw/zinc/52/29/78/1102522978.db2.gz RCAUWFJHCLNCJR-CYBMUJFWSA-N 2 2 333.436 2.077 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001447391131 1102578707 /nfs/dbraw/zinc/57/87/07/1102578707.db2.gz XFAQVWMDXPTSOW-SJLPKXTDSA-N 2 2 345.487 2.049 10 0 EEAELP COc1cccc(Cl)c1C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001497762903 1103053713 /nfs/dbraw/zinc/05/37/13/1103053713.db2.gz BEXGBOMCTQTGRP-NSCUHMNNSA-N 2 2 348.834 2.007 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)o1 ZINC001497765581 1103061621 /nfs/dbraw/zinc/06/16/21/1103061621.db2.gz RXOQODHMYYLCMO-OOFWQKGWSA-N 2 2 348.491 2.256 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1 ZINC001448073745 1103944119 /nfs/dbraw/zinc/94/41/19/1103944119.db2.gz YYXJYUXSHYNNCE-INIZCTEOSA-N 2 2 341.455 2.312 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1 ZINC001448073745 1103944124 /nfs/dbraw/zinc/94/41/24/1103944124.db2.gz YYXJYUXSHYNNCE-INIZCTEOSA-N 2 2 341.455 2.312 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001448138939 1104089065 /nfs/dbraw/zinc/08/90/65/1104089065.db2.gz JXHLQFNIGALFOE-CRAIPNDOSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001448138939 1104089074 /nfs/dbraw/zinc/08/90/74/1104089074.db2.gz JXHLQFNIGALFOE-CRAIPNDOSA-N 2 2 326.444 2.397 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CC(CNC(=O)CCCn3cc[nH+]c3)C2)c1 ZINC001494635489 1104220484 /nfs/dbraw/zinc/22/04/84/1104220484.db2.gz HJWAATMUVOHAGS-UHFFFAOYSA-N 2 2 344.434 2.359 10 0 EEAELP Cc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001494875086 1104485286 /nfs/dbraw/zinc/48/52/86/1104485286.db2.gz GWSQKQDNZCUARI-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001494875086 1104485289 /nfs/dbraw/zinc/48/52/89/1104485289.db2.gz GWSQKQDNZCUARI-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323024 1107291645 /nfs/dbraw/zinc/29/16/45/1107291645.db2.gz LNBORCSCURTGNK-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323024 1107291653 /nfs/dbraw/zinc/29/16/53/1107291653.db2.gz LNBORCSCURTGNK-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP Nc1[nH+]ccc2c1CN(C(=O)c1ccc(C[NH+]3CCCC3)o1)CC2 ZINC001454542125 1107375731 /nfs/dbraw/zinc/37/57/31/1107375731.db2.gz NVYZFYPCDAXYPD-UHFFFAOYSA-N 2 2 326.400 2.051 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1OC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001498465493 1107584346 /nfs/dbraw/zinc/58/43/46/1107584346.db2.gz IKYXEVPBRVCVDS-HNNXBMFYSA-N 2 2 342.443 2.061 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1OC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001498465493 1107584354 /nfs/dbraw/zinc/58/43/54/1107584354.db2.gz IKYXEVPBRVCVDS-HNNXBMFYSA-N 2 2 342.443 2.061 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccncc1Cl ZINC001493158954 1107613240 /nfs/dbraw/zinc/61/32/40/1107613240.db2.gz AJOKTISRPIPABH-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccncc1Cl ZINC001493158954 1107613248 /nfs/dbraw/zinc/61/32/48/1107613248.db2.gz AJOKTISRPIPABH-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC001493158954 1107613251 /nfs/dbraw/zinc/61/32/51/1107613251.db2.gz AJOKTISRPIPABH-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC001493158954 1107613257 /nfs/dbraw/zinc/61/32/57/1107613257.db2.gz AJOKTISRPIPABH-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP Cc1ccc(CC[N@@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001493167542 1107627512 /nfs/dbraw/zinc/62/75/12/1107627512.db2.gz JEOCQWSBOMEXKY-GOSISDBHSA-N 2 2 326.444 2.015 10 0 EEAELP Cc1ccc(CC[N@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001493167542 1107627516 /nfs/dbraw/zinc/62/75/16/1107627516.db2.gz JEOCQWSBOMEXKY-GOSISDBHSA-N 2 2 326.444 2.015 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)CCc2c[nH]c[nH+]2)c1 ZINC001498558934 1107719243 /nfs/dbraw/zinc/71/92/43/1107719243.db2.gz RKSDEWYDCYZBCL-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)CCc2c[nH+]c[nH]2)c1 ZINC001498558934 1107719253 /nfs/dbraw/zinc/71/92/53/1107719253.db2.gz RKSDEWYDCYZBCL-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493601677 1108386586 /nfs/dbraw/zinc/38/65/86/1108386586.db2.gz XTLVKVYEMQKAMO-MOTZXUDYSA-N 2 2 338.455 2.207 10 0 EEAELP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001493832941 1108715960 /nfs/dbraw/zinc/71/59/60/1108715960.db2.gz UBZVDSNGTZJTQV-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C[C@@H](C)C[NH+]3CCOCC3)CC2)cc1 ZINC001473755896 1110579812 /nfs/dbraw/zinc/57/98/12/1110579812.db2.gz QKKCGMSGKVFNIC-LJQANCHMSA-N 2 2 345.531 2.335 10 0 EEAELP COc1ccc([C@@H]2C[N@H+](CCn3cc[nH+]c3C)CCO2)cc1OC ZINC001473889634 1110584299 /nfs/dbraw/zinc/58/42/99/1110584299.db2.gz OMKUMQYHGREUSV-SFHVURJKSA-N 2 2 331.416 2.282 10 0 EEAELP COc1ccc([C@@H]2C[N@@H+](CCn3cc[nH+]c3C)CCO2)cc1OC ZINC001473889634 1110584300 /nfs/dbraw/zinc/58/43/00/1110584300.db2.gz OMKUMQYHGREUSV-SFHVURJKSA-N 2 2 331.416 2.282 10 0 EEAELP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001499488781 1112318783 /nfs/dbraw/zinc/31/87/83/1112318783.db2.gz XTONVBGRJMSQBP-GEYRTDADSA-N 2 2 349.519 2.175 10 0 EEAELP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001499488781 1112318787 /nfs/dbraw/zinc/31/87/87/1112318787.db2.gz XTONVBGRJMSQBP-GEYRTDADSA-N 2 2 349.519 2.175 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001499919923 1112541182 /nfs/dbraw/zinc/54/11/82/1112541182.db2.gz ZMSQXZGYWXYMFH-RTBURBONSA-N 2 2 349.519 2.177 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001499919923 1112541186 /nfs/dbraw/zinc/54/11/86/1112541186.db2.gz ZMSQXZGYWXYMFH-RTBURBONSA-N 2 2 349.519 2.177 10 0 EEAELP CCCCCC[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001500698481 1113032232 /nfs/dbraw/zinc/03/22/32/1113032232.db2.gz VCLCFBBWLYCRTL-LJQANCHMSA-N 2 2 344.459 2.081 10 0 EEAELP CCCCCC[N@H+]1CC[C@@](O)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001500698481 1113032236 /nfs/dbraw/zinc/03/22/36/1113032236.db2.gz VCLCFBBWLYCRTL-LJQANCHMSA-N 2 2 344.459 2.081 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CCC2)o1 ZINC001501967768 1113541466 /nfs/dbraw/zinc/54/14/66/1113541466.db2.gz BAMWRKTVDAPQES-HOTGVXAUSA-N 2 2 346.475 2.128 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CCC2)o1 ZINC001501967768 1113541467 /nfs/dbraw/zinc/54/14/67/1113541467.db2.gz BAMWRKTVDAPQES-HOTGVXAUSA-N 2 2 346.475 2.128 10 0 EEAELP CN(CCC[N@H+](C)CC[C@H]1CCCO1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001502390607 1113661863 /nfs/dbraw/zinc/66/18/63/1113661863.db2.gz LGRRKIFKPXDNPR-OAHLLOKOSA-N 2 2 336.480 2.037 10 0 EEAELP CN(CCC[N@@H+](C)CC[C@H]1CCCO1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001502390607 1113661865 /nfs/dbraw/zinc/66/18/65/1113661865.db2.gz LGRRKIFKPXDNPR-OAHLLOKOSA-N 2 2 336.480 2.037 10 0 EEAELP CCC/C=C\CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001502415488 1113674681 /nfs/dbraw/zinc/67/46/81/1113674681.db2.gz MHNBTLKSUZSSOZ-WAYWQWQTSA-N 2 2 349.519 2.130 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC1CC(C[NH2+]Cc2ccsc2)C1 ZINC001505539605 1114039966 /nfs/dbraw/zinc/03/99/66/1114039966.db2.gz OSVFGHUOOWZSRZ-UHFFFAOYSA-N 2 2 332.473 2.409 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCC[NH2+]Cc2cncs2)c[nH+]1 ZINC001506930130 1114981685 /nfs/dbraw/zinc/98/16/85/1114981685.db2.gz VHUZCPNLCTXXIR-CYBMUJFWSA-N 2 2 349.504 2.458 10 0 EEAELP CCc1noc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507127598 1115122786 /nfs/dbraw/zinc/12/27/86/1115122786.db2.gz GGYYIYPIGZODOR-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1conc1C[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001507386865 1115245094 /nfs/dbraw/zinc/24/50/94/1115245094.db2.gz RBTHTYTZJORBNW-IAGOWNOFSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1conc1C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001507386865 1115245096 /nfs/dbraw/zinc/24/50/96/1115245096.db2.gz RBTHTYTZJORBNW-IAGOWNOFSA-N 2 2 348.491 2.328 10 0 EEAELP C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC[NH+](CC2CC2)CC1 ZINC001508073001 1115412028 /nfs/dbraw/zinc/41/20/28/1115412028.db2.gz FQTRZABSVIJXFS-HNNXBMFYSA-N 2 2 344.503 2.389 10 0 EEAELP Cc1cc(F)ccc1C[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001508224150 1115452151 /nfs/dbraw/zinc/45/21/51/1115452151.db2.gz YGGJXDAGRWPFLF-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP Cc1cc(F)ccc1C[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001508224150 1115452153 /nfs/dbraw/zinc/45/21/53/1115452153.db2.gz YGGJXDAGRWPFLF-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001568277337 1124399251 /nfs/dbraw/zinc/39/92/51/1124399251.db2.gz WDVPLSMWYOQDQC-NWDGAFQWSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001568277337 1124399247 /nfs/dbraw/zinc/39/92/47/1124399247.db2.gz WDVPLSMWYOQDQC-NWDGAFQWSA-N 2 2 347.290 2.363 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001568391016 1124460245 /nfs/dbraw/zinc/46/02/45/1124460245.db2.gz WGWVTFYVNYDRBH-ZWKOTPCHSA-N 2 2 348.491 2.203 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001568539594 1124600906 /nfs/dbraw/zinc/60/09/06/1124600906.db2.gz CREFADIICPHWFD-NWDGAFQWSA-N 2 2 345.274 2.454 10 0 EEAELP CCc1nocc1C[NH2+]CC[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568646573 1124658548 /nfs/dbraw/zinc/65/85/48/1124658548.db2.gz QXBVWQQAXAQMKV-ZDUSSCGKSA-N 2 2 347.463 2.162 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C(C)C)n1)C(=O)Cc1[nH]c[nH+]c1C ZINC001568794401 1124807038 /nfs/dbraw/zinc/80/70/38/1124807038.db2.gz XGFAXLFPKCHMEI-UHFFFAOYSA-N 2 2 343.475 2.417 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCCC1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568876355 1124901844 /nfs/dbraw/zinc/90/18/44/1124901844.db2.gz STXFTBLHIRCZMD-NLVOMGJBSA-N 2 2 330.476 2.288 10 0 EEAELP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001569065450 1125076055 /nfs/dbraw/zinc/07/60/55/1125076055.db2.gz LKPQGXPOHBDEPA-DOTOQJQBSA-N 2 2 330.476 2.430 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001569216033 1125171605 /nfs/dbraw/zinc/17/16/05/1125171605.db2.gz BQPDURSQDLDMJQ-GOSISDBHSA-N 2 2 340.471 2.126 10 0 EEAELP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422889876 240276008 /nfs/dbraw/zinc/27/60/08/240276008.db2.gz HDGLIQPHTVTUGS-KYNGSXCRSA-N 2 2 345.487 2.072 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCNC(=O)C2CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422920786 240289323 /nfs/dbraw/zinc/28/93/23/240289323.db2.gz NSQATBUQHJQGRG-RTBURBONSA-N 2 2 345.487 2.384 10 0 EEAELP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423143269 240382354 /nfs/dbraw/zinc/38/23/54/240382354.db2.gz WTLJZYPIUJSKGT-ZMYBRWDISA-N 2 2 333.451 2.009 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247037335 243360937 /nfs/dbraw/zinc/36/09/37/243360937.db2.gz GMIBQVHQHOGXBI-ZBFHGGJFSA-N 2 2 341.459 2.223 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247037335 243360943 /nfs/dbraw/zinc/36/09/43/243360943.db2.gz GMIBQVHQHOGXBI-ZBFHGGJFSA-N 2 2 341.459 2.223 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cn2c1 ZINC000264958473 247086386 /nfs/dbraw/zinc/08/63/86/247086386.db2.gz ACDZITMHZBDQMG-GOEBONIOSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cn2c1 ZINC000264958473 247086390 /nfs/dbraw/zinc/08/63/90/247086390.db2.gz ACDZITMHZBDQMG-GOEBONIOSA-N 2 2 327.432 2.021 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CC(=O)OC(C)(C)C)nc[nH+]1 ZINC000183898066 533051125 /nfs/dbraw/zinc/05/11/25/533051125.db2.gz VDCNXJYWGVDCRT-ZIAGYGMSSA-N 2 2 349.479 2.197 10 0 EEAELP CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256820 256008823 /nfs/dbraw/zinc/00/88/23/256008823.db2.gz YJZSSGOSDJRUQS-HNNXBMFYSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(CC)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195256820 256008825 /nfs/dbraw/zinc/00/88/25/256008825.db2.gz YJZSSGOSDJRUQS-HNNXBMFYSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(CC)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195256820 256008827 /nfs/dbraw/zinc/00/88/27/256008827.db2.gz YJZSSGOSDJRUQS-HNNXBMFYSA-N 2 2 338.521 2.074 10 0 EEAELP CS[C@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000270662659 256158395 /nfs/dbraw/zinc/15/83/95/256158395.db2.gz PFGRIPIQNGGTFI-IRXDYDNUSA-N 2 2 330.501 2.409 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000271739227 256239461 /nfs/dbraw/zinc/23/94/61/256239461.db2.gz BTVYJRWOCUKQIX-DOTOQJQBSA-N 2 2 327.432 2.007 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000271739227 256239463 /nfs/dbraw/zinc/23/94/63/256239463.db2.gz BTVYJRWOCUKQIX-DOTOQJQBSA-N 2 2 327.432 2.007 10 0 EEAELP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119817690 142378624 /nfs/dbraw/zinc/37/86/24/142378624.db2.gz FVIQMRPNMHISIB-INIZCTEOSA-N 2 2 335.496 2.116 10 0 EEAELP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000119817690 142378625 /nfs/dbraw/zinc/37/86/25/142378625.db2.gz FVIQMRPNMHISIB-INIZCTEOSA-N 2 2 335.496 2.116 10 0 EEAELP Cc1ccc(N2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)[nH+]c1 ZINC000120336138 142384686 /nfs/dbraw/zinc/38/46/86/142384686.db2.gz OBHIDJTXQVANLE-UHFFFAOYSA-N 2 2 330.476 2.207 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000073712219 292171974 /nfs/dbraw/zinc/17/19/74/292171974.db2.gz BNDUKXXMFDVLNA-GOSISDBHSA-N 2 2 341.459 2.215 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000073712219 292171977 /nfs/dbraw/zinc/17/19/77/292171977.db2.gz BNDUKXXMFDVLNA-GOSISDBHSA-N 2 2 341.459 2.215 10 0 EEAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCC3(C)C)CC2)cc1 ZINC000077383011 292188515 /nfs/dbraw/zinc/18/85/15/292188515.db2.gz IQGKQOGIVXOYBP-UHFFFAOYSA-N 2 2 345.487 2.214 10 0 EEAELP COc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCC3(C)C)CC2)cc1 ZINC000077383011 292188516 /nfs/dbraw/zinc/18/85/16/292188516.db2.gz IQGKQOGIVXOYBP-UHFFFAOYSA-N 2 2 345.487 2.214 10 0 EEAELP C[C@@H](c1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1)[NH+]1CCOCC1 ZINC000263107080 152375956 /nfs/dbraw/zinc/37/59/56/152375956.db2.gz AAGHXJMVWZITGV-WFASDCNBSA-N 2 2 339.386 2.016 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248908827 160368302 /nfs/dbraw/zinc/36/83/02/160368302.db2.gz XKQVMHYYKVJUJI-PXNSSMCTSA-N 2 2 340.471 2.333 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000248908827 160368303 /nfs/dbraw/zinc/36/83/03/160368303.db2.gz XKQVMHYYKVJUJI-PXNSSMCTSA-N 2 2 340.471 2.333 10 0 EEAELP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665529 159237281 /nfs/dbraw/zinc/23/72/81/159237281.db2.gz XUJZXSQLOINCTC-HNNXBMFYSA-N 2 2 344.484 2.359 10 0 EEAELP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000093665529 159237285 /nfs/dbraw/zinc/23/72/85/159237285.db2.gz XUJZXSQLOINCTC-HNNXBMFYSA-N 2 2 344.484 2.359 10 0 EEAELP CC[C@H](CO)[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192046010 160166525 /nfs/dbraw/zinc/16/65/25/160166525.db2.gz NFJBFCWPMCCGSO-GOSISDBHSA-N 2 2 328.460 2.069 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000246745363 160292822 /nfs/dbraw/zinc/29/28/22/160292822.db2.gz NADNPAZLVOPHSD-MGPQQGTHSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000246745363 160292823 /nfs/dbraw/zinc/29/28/23/160292823.db2.gz NADNPAZLVOPHSD-MGPQQGTHSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[NH+]1C ZINC000246745363 160292825 /nfs/dbraw/zinc/29/28/25/160292825.db2.gz NADNPAZLVOPHSD-MGPQQGTHSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC[NH+]1C ZINC000246745363 160292826 /nfs/dbraw/zinc/29/28/26/160292826.db2.gz NADNPAZLVOPHSD-MGPQQGTHSA-N 2 2 335.414 2.202 10 0 EEAELP O=c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2sccn21 ZINC000246796505 160295476 /nfs/dbraw/zinc/29/54/76/160295476.db2.gz MOHLCRMJKWEYLW-XJKSGUPXSA-N 2 2 344.484 2.205 10 0 EEAELP O=c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2sccn21 ZINC000246796505 160295477 /nfs/dbraw/zinc/29/54/77/160295477.db2.gz MOHLCRMJKWEYLW-XJKSGUPXSA-N 2 2 344.484 2.205 10 0 EEAELP O=c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2sccn21 ZINC000246796505 160295479 /nfs/dbraw/zinc/29/54/79/160295479.db2.gz MOHLCRMJKWEYLW-XJKSGUPXSA-N 2 2 344.484 2.205 10 0 EEAELP O=c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2sccn21 ZINC000246796505 160295481 /nfs/dbraw/zinc/29/54/81/160295481.db2.gz MOHLCRMJKWEYLW-XJKSGUPXSA-N 2 2 344.484 2.205 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247259962 160316882 /nfs/dbraw/zinc/31/68/82/160316882.db2.gz RPGMHHHTQNWSSC-MAUKXSAKSA-N 2 2 330.476 2.107 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247259962 160316883 /nfs/dbraw/zinc/31/68/83/160316883.db2.gz RPGMHHHTQNWSSC-MAUKXSAKSA-N 2 2 330.476 2.107 10 0 EEAELP CN(C)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247259962 160316884 /nfs/dbraw/zinc/31/68/84/160316884.db2.gz RPGMHHHTQNWSSC-MAUKXSAKSA-N 2 2 330.476 2.107 10 0 EEAELP CN(C)c1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247259962 160316885 /nfs/dbraw/zinc/31/68/85/160316885.db2.gz RPGMHHHTQNWSSC-MAUKXSAKSA-N 2 2 330.476 2.107 10 0 EEAELP COCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCOC1 ZINC000342138222 161042628 /nfs/dbraw/zinc/04/26/28/161042628.db2.gz WQJLWUHPVWLFAL-WOJBJXKFSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCOC1 ZINC000342138222 161042629 /nfs/dbraw/zinc/04/26/29/161042629.db2.gz WQJLWUHPVWLFAL-WOJBJXKFSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCOC1 ZINC000342138222 161042630 /nfs/dbraw/zinc/04/26/30/161042630.db2.gz WQJLWUHPVWLFAL-WOJBJXKFSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCOC1 ZINC000342138222 161042631 /nfs/dbraw/zinc/04/26/31/161042631.db2.gz WQJLWUHPVWLFAL-WOJBJXKFSA-N 2 2 348.487 2.015 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)c2sccc2C)CC1 ZINC000342790201 161091008 /nfs/dbraw/zinc/09/10/08/161091008.db2.gz ZSZYRPJKTWKKPI-OAHLLOKOSA-N 2 2 340.489 2.097 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000367911956 166019851 /nfs/dbraw/zinc/01/98/51/166019851.db2.gz RDGQJFAKBPGNMW-DHSIGJKJSA-N 2 2 341.459 2.258 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000367911956 166019854 /nfs/dbraw/zinc/01/98/54/166019854.db2.gz RDGQJFAKBPGNMW-DHSIGJKJSA-N 2 2 341.459 2.258 10 0 EEAELP C[C@@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358188065 163857665 /nfs/dbraw/zinc/85/76/65/163857665.db2.gz KSKUZLGXSITFDV-SIZVQLJJSA-N 2 2 327.472 2.106 10 0 EEAELP C[C@@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358188065 163857667 /nfs/dbraw/zinc/85/76/67/163857667.db2.gz KSKUZLGXSITFDV-SIZVQLJJSA-N 2 2 327.472 2.106 10 0 EEAELP Cc1cc(NC[C@]2([NH+](C)C)CCSC2)nc(-c2ccncc2)[nH+]1 ZINC000359016732 164037861 /nfs/dbraw/zinc/03/78/61/164037861.db2.gz HCLNLFSEKQLOHF-QGZVFWFLSA-N 2 2 329.473 2.118 10 0 EEAELP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000364327802 165097704 /nfs/dbraw/zinc/09/77/04/165097704.db2.gz KXPSWYLTBMTHMW-QZTJIDSGSA-N 2 2 343.427 2.415 10 0 EEAELP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000364327802 165097706 /nfs/dbraw/zinc/09/77/06/165097706.db2.gz KXPSWYLTBMTHMW-QZTJIDSGSA-N 2 2 343.427 2.415 10 0 EEAELP C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000364452862 165142064 /nfs/dbraw/zinc/14/20/64/165142064.db2.gz XBPHTQWHTPLNAJ-IBGZPJMESA-N 2 2 326.444 2.444 10 0 EEAELP C[C@@]1(CNC(=O)CCn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1 ZINC000364452862 165142069 /nfs/dbraw/zinc/14/20/69/165142069.db2.gz XBPHTQWHTPLNAJ-IBGZPJMESA-N 2 2 326.444 2.444 10 0 EEAELP Cc1cccc(OCCNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000369342037 166240553 /nfs/dbraw/zinc/24/05/53/166240553.db2.gz GWRCFTFBYVOGSL-UHFFFAOYSA-N 2 2 342.443 2.093 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[NH+]1CCC(C)CC1)CC2 ZINC000369923083 166358065 /nfs/dbraw/zinc/35/80/65/166358065.db2.gz JKXQDHNIDIGRNA-UHFFFAOYSA-N 2 2 333.480 2.229 10 0 EEAELP CC[NH+](CC)CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000374346238 167022054 /nfs/dbraw/zinc/02/20/54/167022054.db2.gz HHQDXTRMCBHFPE-INIZCTEOSA-N 2 2 347.507 2.450 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000374677906 167045085 /nfs/dbraw/zinc/04/50/85/167045085.db2.gz KNCYYMZBTMUBIK-UHFFFAOYSA-N 2 2 338.455 2.446 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123804809 222334594 /nfs/dbraw/zinc/33/45/94/222334594.db2.gz XHBGQOPMWREOSN-ZBFHGGJFSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123804809 222334597 /nfs/dbraw/zinc/33/45/97/222334597.db2.gz XHBGQOPMWREOSN-ZBFHGGJFSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123804809 222334600 /nfs/dbraw/zinc/33/46/00/222334600.db2.gz XHBGQOPMWREOSN-ZBFHGGJFSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123804809 222334603 /nfs/dbraw/zinc/33/46/03/222334603.db2.gz XHBGQOPMWREOSN-ZBFHGGJFSA-N 2 2 347.459 2.135 10 0 EEAELP Cc1nc(F)ccc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000278368011 269226747 /nfs/dbraw/zinc/22/67/47/269226747.db2.gz JPMIAKHRLQHSPY-UHFFFAOYSA-N 3 2 343.450 2.226 10 0 EEAELP COc1cc(C)cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1C ZINC000279017403 269256375 /nfs/dbraw/zinc/25/63/75/269256375.db2.gz VMKYEOHWWIQBTF-UHFFFAOYSA-N 2 2 348.491 2.460 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000289476078 275119473 /nfs/dbraw/zinc/11/94/73/275119473.db2.gz DXQFXWQECZTOMB-SFHVURJKSA-N 2 2 345.422 2.096 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000289476078 275119474 /nfs/dbraw/zinc/11/94/74/275119474.db2.gz DXQFXWQECZTOMB-SFHVURJKSA-N 2 2 345.422 2.096 10 0 EEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1c(C)nc2ccccn2c1=O ZINC000290124445 275182082 /nfs/dbraw/zinc/18/20/82/275182082.db2.gz ZAXXCWLMJJTEMB-SJORKVTESA-N 2 2 340.471 2.104 10 0 EEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1c(C)nc2ccccn2c1=O ZINC000290124445 275182083 /nfs/dbraw/zinc/18/20/83/275182083.db2.gz ZAXXCWLMJJTEMB-SJORKVTESA-N 2 2 340.471 2.104 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c(C)nc2ccccn2c1=O ZINC000290124445 275182084 /nfs/dbraw/zinc/18/20/84/275182084.db2.gz ZAXXCWLMJJTEMB-SJORKVTESA-N 2 2 340.471 2.104 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1c(C)nc2ccccn2c1=O ZINC000290124445 275182085 /nfs/dbraw/zinc/18/20/85/275182085.db2.gz ZAXXCWLMJJTEMB-SJORKVTESA-N 2 2 340.471 2.104 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@@H+]1C ZINC000290603083 275221857 /nfs/dbraw/zinc/22/18/57/275221857.db2.gz WNTNXTQDWFGLJH-HOCLYGCPSA-N 2 2 326.444 2.493 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@H+]1C ZINC000290603083 275221858 /nfs/dbraw/zinc/22/18/58/275221858.db2.gz WNTNXTQDWFGLJH-HOCLYGCPSA-N 2 2 326.444 2.493 10 0 EEAELP C(C[NH+]1CCC([NH+]2CCCC2)CC1)N1CCC([NH+]2CCCC2)CC1 ZINC000114719026 277713904 /nfs/dbraw/zinc/71/39/04/277713904.db2.gz AZIOIFKDDNQKIB-UHFFFAOYSA-N 3 2 334.552 2.107 10 0 EEAELP C[C@@]1(C[NH2+]C2CCN(C(N)=O)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121815955 289173681 /nfs/dbraw/zinc/17/36/81/289173681.db2.gz NZLPKANUUNQDPJ-IBGZPJMESA-N 2 2 330.476 2.174 10 0 EEAELP C[C@@]1(C[NH2+]C2CCN(C(N)=O)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000121815955 289173683 /nfs/dbraw/zinc/17/36/83/289173683.db2.gz NZLPKANUUNQDPJ-IBGZPJMESA-N 2 2 330.476 2.174 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000297775178 294337393 /nfs/dbraw/zinc/33/73/93/294337393.db2.gz LGJIPZGAIDTAKQ-INIZCTEOSA-N 2 2 345.447 2.014 10 0 EEAELP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000299743102 294816017 /nfs/dbraw/zinc/81/60/17/294816017.db2.gz LUPYHKMDHXQDNW-QFBILLFUSA-N 2 2 337.427 2.473 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)C12CCOCC2 ZINC000333241407 312117302 /nfs/dbraw/zinc/11/73/02/312117302.db2.gz INRRQYOIYSPTCM-LAVFITLUSA-N 2 2 349.475 2.204 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000333572184 312167909 /nfs/dbraw/zinc/16/79/09/312167909.db2.gz SBWYJXMQUCJIGZ-OLMMMNRUSA-N 2 2 345.491 2.423 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000344128822 312268765 /nfs/dbraw/zinc/26/87/65/312268765.db2.gz LJWWQJVYBDMJTC-IBGZPJMESA-N 2 2 342.487 2.424 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000344128822 312268766 /nfs/dbraw/zinc/26/87/66/312268766.db2.gz LJWWQJVYBDMJTC-IBGZPJMESA-N 2 2 342.487 2.424 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000344128826 312268971 /nfs/dbraw/zinc/26/89/71/312268971.db2.gz LJWWQJVYBDMJTC-LJQANCHMSA-N 2 2 342.487 2.424 10 0 EEAELP COCC[N@H+]1CC[C@@H]([NH2+]CCCc2cn(-c3ccccc3)nc2C)C1 ZINC000344128826 312268972 /nfs/dbraw/zinc/26/89/72/312268972.db2.gz LJWWQJVYBDMJTC-LJQANCHMSA-N 2 2 342.487 2.424 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2OC)CC1 ZINC000411477135 312541416 /nfs/dbraw/zinc/54/14/16/312541416.db2.gz VZJOTYOEFICLEW-ZDUSSCGKSA-N 2 2 337.439 2.085 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]([NH3+])C2CC2)c(C)c1 ZINC000417929288 313654343 /nfs/dbraw/zinc/65/43/43/313654343.db2.gz ILBUPPXOVICESO-ZWKOTPCHSA-N 2 2 341.459 2.278 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000515345425 316482632 /nfs/dbraw/zinc/48/26/32/316482632.db2.gz CKDZNTYKSDBLRN-UHFFFAOYSA-N 2 2 345.491 2.094 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)c1 ZINC000515638195 316509042 /nfs/dbraw/zinc/50/90/42/316509042.db2.gz VWXSJTALKZSRRD-ZDUSSCGKSA-N 2 2 343.349 2.011 10 0 EEAELP CC[NH+]1CCN(CC(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000525194643 317044831 /nfs/dbraw/zinc/04/48/31/317044831.db2.gz YPYXOPZQSSSKIR-UHFFFAOYSA-N 2 2 340.427 2.450 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000525997860 317103077 /nfs/dbraw/zinc/10/30/77/317103077.db2.gz HHQFGYNPZLXRAZ-CABCVRRESA-N 2 2 332.492 2.485 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)C2 ZINC000525997860 317103081 /nfs/dbraw/zinc/10/30/81/317103081.db2.gz HHQFGYNPZLXRAZ-CABCVRRESA-N 2 2 332.492 2.485 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC000525997860 317103084 /nfs/dbraw/zinc/10/30/84/317103084.db2.gz HHQFGYNPZLXRAZ-CABCVRRESA-N 2 2 332.492 2.485 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000525997860 317103087 /nfs/dbraw/zinc/10/30/87/317103087.db2.gz HHQFGYNPZLXRAZ-CABCVRRESA-N 2 2 332.492 2.485 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000540979588 318089779 /nfs/dbraw/zinc/08/97/79/318089779.db2.gz ZTEAKHGPUKZALY-UHFFFAOYSA-N 2 2 345.491 2.096 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000540979588 318089781 /nfs/dbraw/zinc/08/97/81/318089781.db2.gz ZTEAKHGPUKZALY-UHFFFAOYSA-N 2 2 345.491 2.096 10 0 EEAELP Cc1nn(C)c2ncc(C[NH+]3CCN(c4c[nH+]ccc4C)CC3)cc12 ZINC000545278382 318213371 /nfs/dbraw/zinc/21/33/71/318213371.db2.gz FBNRSRIZFSUGFE-UHFFFAOYSA-N 2 2 336.443 2.302 10 0 EEAELP [NH3+]CCC1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000563543374 319021580 /nfs/dbraw/zinc/02/15/80/319021580.db2.gz UPPHWYHFHPAHAD-UHFFFAOYSA-N 2 2 335.839 2.258 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000564823199 319114187 /nfs/dbraw/zinc/11/41/87/319114187.db2.gz DIEMHOFXELWEGT-IHPCNDPISA-N 3 2 331.504 2.255 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000564823199 319114188 /nfs/dbraw/zinc/11/41/88/319114188.db2.gz DIEMHOFXELWEGT-IHPCNDPISA-N 3 2 331.504 2.255 10 0 EEAELP CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000565545245 319192863 /nfs/dbraw/zinc/19/28/63/319192863.db2.gz ZBGMWUTWPCBMMC-LJQANCHMSA-N 2 2 347.503 2.297 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)Cn2cccn2)c(C)c1 ZINC000566116927 319247212 /nfs/dbraw/zinc/24/72/12/319247212.db2.gz QVDVYFISMBYDBA-PKOBYXMFSA-N 2 2 339.443 2.088 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]([NH3+])CC ZINC000566294721 319270894 /nfs/dbraw/zinc/27/08/94/319270894.db2.gz JLBCRMRBKADRLH-JLSDUUJJSA-N 2 2 332.492 2.186 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]([NH3+])CC ZINC000566294721 319270897 /nfs/dbraw/zinc/27/08/97/319270897.db2.gz JLBCRMRBKADRLH-JLSDUUJJSA-N 2 2 332.492 2.186 10 0 EEAELP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000577814124 320276466 /nfs/dbraw/zinc/27/64/66/320276466.db2.gz HFKJZHBPJZXKBA-UHFFFAOYSA-N 2 2 346.350 2.097 10 0 EEAELP Cn1c[nH+]c(CC[NH2+][C@@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000579572876 323882346 /nfs/dbraw/zinc/88/23/46/323882346.db2.gz YXTBWBNUAGNYMK-GOSISDBHSA-N 2 2 326.444 2.306 10 0 EEAELP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000579689023 323907860 /nfs/dbraw/zinc/90/78/60/323907860.db2.gz ZAKNRZDFQJIEDS-GOSISDBHSA-N 2 2 344.459 2.008 10 0 EEAELP CC[NH+](CC)CC[C@@H](CO)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624179161 450735660 /nfs/dbraw/zinc/73/56/60/450735660.db2.gz OVTKHRHQORAEBV-AWEZNQCLSA-N 2 2 327.432 2.387 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000358320457 465056486 /nfs/dbraw/zinc/05/64/86/465056486.db2.gz POVLLCKAFAOMTB-IVMMDQJWSA-N 2 2 330.394 2.396 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000358320457 465056492 /nfs/dbraw/zinc/05/64/92/465056492.db2.gz POVLLCKAFAOMTB-IVMMDQJWSA-N 2 2 330.394 2.396 10 0 EEAELP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337024556 465153146 /nfs/dbraw/zinc/15/31/46/465153146.db2.gz BPJGFLRNZOXMAK-HOTGVXAUSA-N 2 2 347.507 2.449 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+](C)C2CC[NH+](CC)CC2)n1 ZINC000351517256 465198318 /nfs/dbraw/zinc/19/83/18/465198318.db2.gz JHSIHYFRNXMDFO-UHFFFAOYSA-N 2 2 334.508 2.470 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+](C)C2CC[NH+](CC)CC2)n1 ZINC000351517256 465198324 /nfs/dbraw/zinc/19/83/24/465198324.db2.gz JHSIHYFRNXMDFO-UHFFFAOYSA-N 2 2 334.508 2.470 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[C@@H]([NH+](CC)CC)C2)[nH+]1 ZINC000351518628 465198671 /nfs/dbraw/zinc/19/86/71/465198671.db2.gz CSKKLTYIVIFDCW-GOSISDBHSA-N 2 2 334.508 2.470 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296488658 465210391 /nfs/dbraw/zinc/21/03/91/465210391.db2.gz PMWJDUHRDSCHNZ-ZDUSSCGKSA-N 2 2 347.850 2.419 10 0 EEAELP C[N@H+]1CCC[C@H]1CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000296488658 465210395 /nfs/dbraw/zinc/21/03/95/465210395.db2.gz PMWJDUHRDSCHNZ-ZDUSSCGKSA-N 2 2 347.850 2.419 10 0 EEAELP CCOC(=O)COCC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000351709722 465307652 /nfs/dbraw/zinc/30/76/52/465307652.db2.gz JJVJRQFPJJEILN-MRXNPFEDSA-N 2 2 345.443 2.389 10 0 EEAELP CCOC(=O)COCC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000351709722 465307655 /nfs/dbraw/zinc/30/76/55/465307655.db2.gz JJVJRQFPJJEILN-MRXNPFEDSA-N 2 2 345.443 2.389 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000590622569 468289846 /nfs/dbraw/zinc/28/98/46/468289846.db2.gz WKQLIGLWQYIMCD-WOJBJXKFSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000590622569 468289852 /nfs/dbraw/zinc/28/98/52/468289852.db2.gz WKQLIGLWQYIMCD-WOJBJXKFSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000590622569 468289856 /nfs/dbraw/zinc/28/98/56/468289856.db2.gz WKQLIGLWQYIMCD-WOJBJXKFSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000590622569 468289861 /nfs/dbraw/zinc/28/98/61/468289861.db2.gz WKQLIGLWQYIMCD-WOJBJXKFSA-N 2 2 328.456 2.145 10 0 EEAELP CS(=O)(=O)C1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCC1 ZINC000552022867 468297888 /nfs/dbraw/zinc/29/78/88/468297888.db2.gz RIFQIBHWJKOZJL-UHFFFAOYSA-N 2 2 339.486 2.381 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000128426442 462639077 /nfs/dbraw/zinc/63/90/77/462639077.db2.gz UWTFAODCAAHUCN-NVXWUHKLSA-N 2 2 347.507 2.134 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@H](C)C1 ZINC000128426442 462639084 /nfs/dbraw/zinc/63/90/84/462639084.db2.gz UWTFAODCAAHUCN-NVXWUHKLSA-N 2 2 347.507 2.134 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C[C@H]1C ZINC000117282597 462792488 /nfs/dbraw/zinc/79/24/88/462792488.db2.gz AEWXXEUQZWPETR-IEBWSBKVSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C[C@H]1C ZINC000117282597 462792491 /nfs/dbraw/zinc/79/24/91/462792491.db2.gz AEWXXEUQZWPETR-IEBWSBKVSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC000117282597 462792495 /nfs/dbraw/zinc/79/24/95/462792495.db2.gz AEWXXEUQZWPETR-IEBWSBKVSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC000117282597 462792500 /nfs/dbraw/zinc/79/25/00/462792500.db2.gz AEWXXEUQZWPETR-IEBWSBKVSA-N 2 2 347.503 2.249 10 0 EEAELP Cc1[nH+]ccn1-c1cncc(N2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000092922712 462991028 /nfs/dbraw/zinc/99/10/28/462991028.db2.gz NEFIQIKJPQHPDR-HNNXBMFYSA-N 2 2 337.431 2.163 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000069172070 463217154 /nfs/dbraw/zinc/21/71/54/463217154.db2.gz PJENGXOEZKUOPX-PBHICJAKSA-N 2 2 334.460 2.219 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000069172070 463217161 /nfs/dbraw/zinc/21/71/61/463217161.db2.gz PJENGXOEZKUOPX-PBHICJAKSA-N 2 2 334.460 2.219 10 0 EEAELP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136835064 463260116 /nfs/dbraw/zinc/26/01/16/463260116.db2.gz ADJJUYDDHLLGLF-IAGOWNOFSA-N 2 2 347.507 2.259 10 0 EEAELP C[C@H](C(=O)N1CCCC1)[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069570011 463277854 /nfs/dbraw/zinc/27/78/54/463277854.db2.gz AVQGATXYAXLUJK-OAHLLOKOSA-N 2 2 341.459 2.086 10 0 EEAELP C[C@H](C(=O)N1CCCC1)[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069570011 463277857 /nfs/dbraw/zinc/27/78/57/463277857.db2.gz AVQGATXYAXLUJK-OAHLLOKOSA-N 2 2 341.459 2.086 10 0 EEAELP CC(C)(C)c1nc(N2CC[NH2+]CC2)cc(CCOC(F)(F)F)[nH+]1 ZINC000143131375 463365821 /nfs/dbraw/zinc/36/58/21/463365821.db2.gz KLAIOAKWUQDOQR-UHFFFAOYSA-N 2 2 332.370 2.263 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000105875939 463484500 /nfs/dbraw/zinc/48/45/00/463484500.db2.gz FDVXZQAKIWNZGO-UHFFFAOYSA-N 2 2 347.850 2.362 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000105896542 463492679 /nfs/dbraw/zinc/49/26/79/463492679.db2.gz QOMSSSXLRXSVOO-QGZVFWFLSA-N 2 2 326.444 2.399 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000105896542 463492684 /nfs/dbraw/zinc/49/26/84/463492684.db2.gz QOMSSSXLRXSVOO-QGZVFWFLSA-N 2 2 326.444 2.399 10 0 EEAELP Cc1cccn2c(C[NH2+][C@H]3CCN(C(=O)C4CC4)C[C@H]3C)c[nH+]c12 ZINC000084247944 463587788 /nfs/dbraw/zinc/58/77/88/463587788.db2.gz QAFXVCUTEBZWDA-PBHICJAKSA-N 2 2 326.444 2.379 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163445538 463589507 /nfs/dbraw/zinc/58/95/07/463589507.db2.gz PYQULNQZUDCILY-CRAIPNDOSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163445538 463589513 /nfs/dbraw/zinc/58/95/13/463589513.db2.gz PYQULNQZUDCILY-CRAIPNDOSA-N 2 2 329.448 2.029 10 0 EEAELP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H]1C[N@H+](C)CCO1 ZINC000108945604 463629922 /nfs/dbraw/zinc/62/99/22/463629922.db2.gz PNCMWHRCNOAAND-ZDUSSCGKSA-N 2 2 329.400 2.154 10 0 EEAELP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@H]1C[N@@H+](C)CCO1 ZINC000108945604 463629927 /nfs/dbraw/zinc/62/99/27/463629927.db2.gz PNCMWHRCNOAAND-ZDUSSCGKSA-N 2 2 329.400 2.154 10 0 EEAELP Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)ccn1 ZINC000170597548 463679163 /nfs/dbraw/zinc/67/91/63/463679163.db2.gz PCASXJFFCNTKQM-LJQANCHMSA-N 2 2 349.438 2.495 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152412759 463686740 /nfs/dbraw/zinc/68/67/40/463686740.db2.gz SBIWZBIHXIOXBH-AWEZNQCLSA-N 2 2 337.430 2.307 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000152412759 463686741 /nfs/dbraw/zinc/68/67/41/463686741.db2.gz SBIWZBIHXIOXBH-AWEZNQCLSA-N 2 2 337.430 2.307 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000152412759 463686744 /nfs/dbraw/zinc/68/67/44/463686744.db2.gz SBIWZBIHXIOXBH-AWEZNQCLSA-N 2 2 337.430 2.307 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152412759 463686745 /nfs/dbraw/zinc/68/67/45/463686745.db2.gz SBIWZBIHXIOXBH-AWEZNQCLSA-N 2 2 337.430 2.307 10 0 EEAELP CCC[C@@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)[NH+](C)C ZINC000152529656 463700403 /nfs/dbraw/zinc/70/04/03/463700403.db2.gz ASNONIWBZXRWNB-KRWDZBQOSA-N 2 2 328.460 2.472 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000268918902 463808798 /nfs/dbraw/zinc/80/87/98/463808798.db2.gz VYSPZEMWNGXWFV-SVFBPWRDSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000268918902 463808802 /nfs/dbraw/zinc/80/88/02/463808802.db2.gz VYSPZEMWNGXWFV-SVFBPWRDSA-N 3 2 344.547 2.123 10 0 EEAELP Cc1cc2c(ncnc2N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000261796023 463862754 /nfs/dbraw/zinc/86/27/54/463862754.db2.gz GODHQJLIELOHHH-AWEZNQCLSA-N 2 2 331.489 2.121 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261796326 463862844 /nfs/dbraw/zinc/86/28/44/463862844.db2.gz LKLGZDVIVGLDLV-YIONKMFJSA-N 2 2 326.444 2.340 10 0 EEAELP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000261991458 463920189 /nfs/dbraw/zinc/92/01/89/463920189.db2.gz SUSOARMUEQECLN-ZCNNSNEGSA-N 3 2 340.471 2.178 10 0 EEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc21 ZINC000195515715 464062979 /nfs/dbraw/zinc/06/29/79/464062979.db2.gz KEIVZDRYKHDCCI-MRXNPFEDSA-N 2 2 336.439 2.405 10 0 EEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc21 ZINC000195515715 464062988 /nfs/dbraw/zinc/06/29/88/464062988.db2.gz KEIVZDRYKHDCCI-MRXNPFEDSA-N 2 2 336.439 2.405 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000226055725 464183317 /nfs/dbraw/zinc/18/33/17/464183317.db2.gz ISCWZJLCUHPTOX-QWHCGFSZSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000226055725 464183321 /nfs/dbraw/zinc/18/33/21/464183321.db2.gz ISCWZJLCUHPTOX-QWHCGFSZSA-N 2 2 333.259 2.417 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000229276480 464196452 /nfs/dbraw/zinc/19/64/52/464196452.db2.gz TYXUIYJFCYIFNP-ROUUACIJSA-N 2 2 338.455 2.226 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000229276480 464196459 /nfs/dbraw/zinc/19/64/59/464196459.db2.gz TYXUIYJFCYIFNP-ROUUACIJSA-N 2 2 338.455 2.226 10 0 EEAELP Cn1c2c([nH+]c1[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1)CCCC2 ZINC000284466745 464203042 /nfs/dbraw/zinc/20/30/42/464203042.db2.gz BBHOAVHUYZLUKS-INIZCTEOSA-N 2 2 327.432 2.249 10 0 EEAELP COc1cccc(CCNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)n1 ZINC000337599744 465461768 /nfs/dbraw/zinc/46/17/68/465461768.db2.gz IKOGBZJRWSRQLD-UHFFFAOYSA-N 2 2 347.382 2.269 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)NCC[C@@H]3CCC[NH2+]C3)cn2c1 ZINC000237904813 464401425 /nfs/dbraw/zinc/40/14/25/464401425.db2.gz NZRIFQLRWBXRAY-HNNXBMFYSA-N 2 2 346.500 2.382 10 0 EEAELP CO[C@H](C)c1noc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000175252624 464514323 /nfs/dbraw/zinc/51/43/23/464514323.db2.gz UCPVDVXKPJAYQO-ZIAGYGMSSA-N 2 2 331.420 2.414 10 0 EEAELP CO[C@H](C)c1noc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000175252624 464514329 /nfs/dbraw/zinc/51/43/29/464514329.db2.gz UCPVDVXKPJAYQO-ZIAGYGMSSA-N 2 2 331.420 2.414 10 0 EEAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272345583 464572254 /nfs/dbraw/zinc/57/22/54/464572254.db2.gz PMKKJIRJEARXBV-OAHLLOKOSA-N 2 2 327.432 2.071 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272345583 464572261 /nfs/dbraw/zinc/57/22/61/464572261.db2.gz PMKKJIRJEARXBV-OAHLLOKOSA-N 2 2 327.432 2.071 10 0 EEAELP Cn1ncc2c1nc[nH+]c2N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281974796 464654227 /nfs/dbraw/zinc/65/42/27/464654227.db2.gz RQOQXPZETWJECX-ZDUSSCGKSA-N 2 2 337.431 2.280 10 0 EEAELP COc1nccnc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000295009345 464676695 /nfs/dbraw/zinc/67/66/95/464676695.db2.gz ISRBUFZLHUHDNZ-QGZVFWFLSA-N 2 2 326.444 2.139 10 0 EEAELP COc1nccnc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000295009345 464676699 /nfs/dbraw/zinc/67/66/99/464676699.db2.gz ISRBUFZLHUHDNZ-QGZVFWFLSA-N 2 2 326.444 2.139 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)on1 ZINC000282054074 464683145 /nfs/dbraw/zinc/68/31/45/464683145.db2.gz MGJDNJZBFYMYHG-AWEZNQCLSA-N 2 2 343.431 2.334 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)on1 ZINC000282054074 464683151 /nfs/dbraw/zinc/68/31/51/464683151.db2.gz MGJDNJZBFYMYHG-AWEZNQCLSA-N 2 2 343.431 2.334 10 0 EEAELP COC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182567816 464684327 /nfs/dbraw/zinc/68/43/27/464684327.db2.gz FBQFWIUHKRJUAC-PBHICJAKSA-N 2 2 328.403 2.089 10 0 EEAELP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275441007 464774684 /nfs/dbraw/zinc/77/46/84/464774684.db2.gz FWRGLBGBEJYBND-AOIWGVFYSA-N 2 2 329.444 2.488 10 0 EEAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000275475123 464775876 /nfs/dbraw/zinc/77/58/76/464775876.db2.gz HYHSJUWIHKKVNT-FUHWJXTLSA-N 2 2 341.459 2.425 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248639636 464778381 /nfs/dbraw/zinc/77/83/81/464778381.db2.gz BMLDOLNNMALGKZ-IOMROCGXSA-N 2 2 337.467 2.494 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248639636 464778386 /nfs/dbraw/zinc/77/83/86/464778386.db2.gz BMLDOLNNMALGKZ-IOMROCGXSA-N 2 2 337.467 2.494 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248639636 464778388 /nfs/dbraw/zinc/77/83/88/464778388.db2.gz BMLDOLNNMALGKZ-IOMROCGXSA-N 2 2 337.467 2.494 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248639636 464778393 /nfs/dbraw/zinc/77/83/93/464778393.db2.gz BMLDOLNNMALGKZ-IOMROCGXSA-N 2 2 337.467 2.494 10 0 EEAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2nc3ccccc3n2C)CCO1 ZINC000275702573 464785050 /nfs/dbraw/zinc/78/50/50/464785050.db2.gz XREPLSLYDRNLAB-SUMWQHHRSA-N 2 2 325.416 2.317 10 0 EEAELP COCc1cccc(CNC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266695699 464790685 /nfs/dbraw/zinc/79/06/85/464790685.db2.gz BPAPTDCYKVTSRP-UHFFFAOYSA-N 2 2 342.443 2.052 10 0 EEAELP COc1c(C)c[nH+]c(CN2CCN(c3cc[nH+]c(C)n3)CC2)c1C ZINC000183810076 464913288 /nfs/dbraw/zinc/91/32/88/464913288.db2.gz PLCKICRBCOBXKJ-UHFFFAOYSA-N 2 2 327.432 2.128 10 0 EEAELP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)NC(C)(C)C ZINC000351844483 465394772 /nfs/dbraw/zinc/39/47/72/465394772.db2.gz LFPQHDXDOWACSG-UHFFFAOYSA-N 2 2 346.519 2.045 10 0 EEAELP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)CC(=O)NC(C)(C)C ZINC000351844483 465394777 /nfs/dbraw/zinc/39/47/77/465394777.db2.gz LFPQHDXDOWACSG-UHFFFAOYSA-N 2 2 346.519 2.045 10 0 EEAELP C[C@H]1CC[C@@]2(CC[N@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)C1 ZINC000359561148 465456210 /nfs/dbraw/zinc/45/62/10/465456210.db2.gz QSNFTRFDBWQOSI-FXAWDEMLSA-N 2 2 345.487 2.436 10 0 EEAELP C[C@H]1CC[C@@]2(CC[N@@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)C1 ZINC000359561148 465456218 /nfs/dbraw/zinc/45/62/18/465456218.db2.gz QSNFTRFDBWQOSI-FXAWDEMLSA-N 2 2 345.487 2.436 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1=O ZINC000360992024 465688590 /nfs/dbraw/zinc/68/85/90/465688590.db2.gz YSOUKRNGDUZAIW-BNOWGMLFSA-N 2 2 333.398 2.002 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000344615341 465722943 /nfs/dbraw/zinc/72/29/43/465722943.db2.gz FWFDFIYXRBWVLQ-RISCZKNCSA-N 2 2 325.840 2.217 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000344615341 465722948 /nfs/dbraw/zinc/72/29/48/465722948.db2.gz FWFDFIYXRBWVLQ-RISCZKNCSA-N 2 2 325.840 2.217 10 0 EEAELP Cc1ccc(C2CC[NH+](CC(=O)NC(=O)NCC(C)C)CC2)c[nH+]1 ZINC000361061448 465739069 /nfs/dbraw/zinc/73/90/69/465739069.db2.gz ZQFPSIJIQANZNT-UHFFFAOYSA-N 2 2 332.448 2.051 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000361278254 465881622 /nfs/dbraw/zinc/88/16/22/465881622.db2.gz KQPVFTFJZNEEGW-QGZVFWFLSA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000361278254 465881630 /nfs/dbraw/zinc/88/16/30/465881630.db2.gz KQPVFTFJZNEEGW-QGZVFWFLSA-N 2 2 338.455 2.295 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000361518884 466067554 /nfs/dbraw/zinc/06/75/54/466067554.db2.gz LRXRTSFBMVBDHX-OAHLLOKOSA-N 2 2 340.427 2.239 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)CC1C[NH+](C)C1 ZINC000597203508 468479200 /nfs/dbraw/zinc/47/92/00/468479200.db2.gz SHAHGWCYSGAKIA-UHFFFAOYSA-N 2 2 332.400 2.221 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)CC1C[NH+](C)C1 ZINC000597203508 468479204 /nfs/dbraw/zinc/47/92/04/468479204.db2.gz SHAHGWCYSGAKIA-UHFFFAOYSA-N 2 2 332.400 2.221 10 0 EEAELP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000349810347 466251284 /nfs/dbraw/zinc/25/12/84/466251284.db2.gz BIYMEMUZYALSOC-UHFFFAOYSA-N 3 2 347.532 2.440 10 0 EEAELP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363404848 466380893 /nfs/dbraw/zinc/38/08/93/466380893.db2.gz ATJWMHIJANPAJU-HNNXBMFYSA-N 2 2 337.431 2.082 10 0 EEAELP Cn1ncc2c1nc[nH+]c2NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363404848 466380901 /nfs/dbraw/zinc/38/09/01/466380901.db2.gz ATJWMHIJANPAJU-HNNXBMFYSA-N 2 2 337.431 2.082 10 0 EEAELP Cc1cc(CNC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc(C)[nH+]1 ZINC000569447386 468491221 /nfs/dbraw/zinc/49/12/21/468491221.db2.gz GAZNQSGRBGZQEF-SFHVURJKSA-N 2 2 346.475 2.095 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000310280851 466510695 /nfs/dbraw/zinc/51/06/95/466510695.db2.gz WJUGWMFBGUAXAD-YDZRNGNQSA-N 2 2 348.512 2.064 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000310280851 466510701 /nfs/dbraw/zinc/51/07/01/466510701.db2.gz WJUGWMFBGUAXAD-YDZRNGNQSA-N 2 2 348.512 2.064 10 0 EEAELP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000358234885 466561939 /nfs/dbraw/zinc/56/19/39/466561939.db2.gz XEHNKNZRXRXGBG-OAHLLOKOSA-N 2 2 337.489 2.361 10 0 EEAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000358234885 466561949 /nfs/dbraw/zinc/56/19/49/466561949.db2.gz XEHNKNZRXRXGBG-OAHLLOKOSA-N 2 2 337.489 2.361 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000358246766 466568244 /nfs/dbraw/zinc/56/82/44/466568244.db2.gz KZJWODNLVRKRCB-QCSYZSNVSA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000358246766 466568246 /nfs/dbraw/zinc/56/82/46/466568246.db2.gz KZJWODNLVRKRCB-QCSYZSNVSA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000358246766 466568249 /nfs/dbraw/zinc/56/82/49/466568249.db2.gz KZJWODNLVRKRCB-QCSYZSNVSA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000358246766 466568253 /nfs/dbraw/zinc/56/82/53/466568253.db2.gz KZJWODNLVRKRCB-QCSYZSNVSA-N 2 2 337.895 2.251 10 0 EEAELP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423248273 466703603 /nfs/dbraw/zinc/70/36/03/466703603.db2.gz RKNIJIVGKUNLMZ-CRAIPNDOSA-N 2 2 332.469 2.447 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[NH2+]CCCO2)CC1 ZINC000423494963 466758430 /nfs/dbraw/zinc/75/84/30/466758430.db2.gz SYTNVQHBKKXZNN-FXAWDEMLSA-N 3 2 331.504 2.050 10 0 EEAELP CC[C@@H](C)[C@H](OC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000373535789 466836144 /nfs/dbraw/zinc/83/61/44/466836144.db2.gz MLCQXPKPHJLELX-SJORKVTESA-N 2 2 339.524 2.114 10 0 EEAELP F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000424331663 467030982 /nfs/dbraw/zinc/03/09/82/467030982.db2.gz SCFGZSLISIASSR-VQTJNVASSA-N 2 2 347.478 2.010 10 0 EEAELP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366096958 467057402 /nfs/dbraw/zinc/05/74/02/467057402.db2.gz ZDOIKMLCQZMAOA-HNNXBMFYSA-N 2 2 333.480 2.175 10 0 EEAELP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366096958 467057409 /nfs/dbraw/zinc/05/74/09/467057409.db2.gz ZDOIKMLCQZMAOA-HNNXBMFYSA-N 2 2 333.480 2.175 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H]3C[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000425678815 467122674 /nfs/dbraw/zinc/12/26/74/467122674.db2.gz KSYUGEQFWDYJLF-BJWYYQGGSA-N 2 2 334.508 2.034 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420361815 467378941 /nfs/dbraw/zinc/37/89/41/467378941.db2.gz HFBXZVSTJKRFJB-FQEVSTJZSA-N 2 2 345.487 2.166 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420361815 467378944 /nfs/dbraw/zinc/37/89/44/467378944.db2.gz HFBXZVSTJKRFJB-FQEVSTJZSA-N 2 2 345.487 2.166 10 0 EEAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000420372439 467382397 /nfs/dbraw/zinc/38/23/97/467382397.db2.gz MHERNTCLJYOZRT-OFGIBPIPSA-N 2 2 331.504 2.147 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000420372439 467382400 /nfs/dbraw/zinc/38/24/00/467382400.db2.gz MHERNTCLJYOZRT-OFGIBPIPSA-N 2 2 331.504 2.147 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386260 467389888 /nfs/dbraw/zinc/38/98/88/467389888.db2.gz VIBWANRDWVDOCO-PXNSSMCTSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386260 467389890 /nfs/dbraw/zinc/38/98/90/467389890.db2.gz VIBWANRDWVDOCO-PXNSSMCTSA-N 2 2 329.488 2.118 10 0 EEAELP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnnn2Cc2ccccc2)C1 ZINC000430236056 467411020 /nfs/dbraw/zinc/41/10/20/467411020.db2.gz MRDFACWJZNVOCK-IBGZPJMESA-N 2 2 339.487 2.490 10 0 EEAELP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cnnn2Cc2ccccc2)C1 ZINC000430236056 467411023 /nfs/dbraw/zinc/41/10/23/467411023.db2.gz MRDFACWJZNVOCK-IBGZPJMESA-N 2 2 339.487 2.490 10 0 EEAELP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cnnn2Cc2ccccc2)C1 ZINC000430236056 467411027 /nfs/dbraw/zinc/41/10/27/467411027.db2.gz MRDFACWJZNVOCK-IBGZPJMESA-N 2 2 339.487 2.490 10 0 EEAELP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cnnn2Cc2ccccc2)C1 ZINC000430236056 467411031 /nfs/dbraw/zinc/41/10/31/467411031.db2.gz MRDFACWJZNVOCK-IBGZPJMESA-N 2 2 339.487 2.490 10 0 EEAELP CC1=C[C@H](C)C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430278041 467417007 /nfs/dbraw/zinc/41/70/07/467417007.db2.gz HMCSXXAXYBUPBU-HNNXBMFYSA-N 2 2 333.501 2.290 10 0 EEAELP CC1=C[C@H](C)C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000430278041 467417009 /nfs/dbraw/zinc/41/70/09/467417009.db2.gz HMCSXXAXYBUPBU-HNNXBMFYSA-N 2 2 333.501 2.290 10 0 EEAELP C[C@@H]1CN(CC[N@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C)O1 ZINC000435041668 467442863 /nfs/dbraw/zinc/44/28/63/467442863.db2.gz QZTGRGFYVPUCRN-GASCZTMLSA-N 2 2 334.489 2.475 10 0 EEAELP C[C@@H]1CN(CC[N@@H+](C)Cc2cc(-n3cc[nH+]c3)cs2)C[C@H](C)O1 ZINC000435041668 467442867 /nfs/dbraw/zinc/44/28/67/467442867.db2.gz QZTGRGFYVPUCRN-GASCZTMLSA-N 2 2 334.489 2.475 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000398225140 467448579 /nfs/dbraw/zinc/44/85/79/467448579.db2.gz XOOBDPPHOUBSFG-NEWSRXKRSA-N 2 2 344.455 2.410 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000398225140 467448582 /nfs/dbraw/zinc/44/85/82/467448582.db2.gz XOOBDPPHOUBSFG-NEWSRXKRSA-N 2 2 344.455 2.410 10 0 EEAELP CCCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)ccc1OC ZINC000449391052 467636156 /nfs/dbraw/zinc/63/61/56/467636156.db2.gz HMUBOTFLQXBNGI-KRWDZBQOSA-N 2 2 336.476 2.420 10 0 EEAELP CCCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)ccc1OC ZINC000449391052 467636158 /nfs/dbraw/zinc/63/61/58/467636158.db2.gz HMUBOTFLQXBNGI-KRWDZBQOSA-N 2 2 336.476 2.420 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC000533544114 468209718 /nfs/dbraw/zinc/20/97/18/468209718.db2.gz XOMFOLFEXDCQNY-ROUUACIJSA-N 2 2 326.444 2.452 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC000533544114 468209723 /nfs/dbraw/zinc/20/97/23/468209723.db2.gz XOMFOLFEXDCQNY-ROUUACIJSA-N 2 2 326.444 2.452 10 0 EEAELP C[N@@H+]1CCC[C@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000567852635 468223959 /nfs/dbraw/zinc/22/39/59/468223959.db2.gz FJGHVLFHEZYBOC-MRXNPFEDSA-N 2 2 345.491 2.082 10 0 EEAELP C[N@H+]1CCC[C@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000567852635 468223963 /nfs/dbraw/zinc/22/39/63/468223963.db2.gz FJGHVLFHEZYBOC-MRXNPFEDSA-N 2 2 345.491 2.082 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000591869486 468537775 /nfs/dbraw/zinc/53/77/75/468537775.db2.gz ZUAPCPPLPKCCHC-UONOGXRCSA-N 2 2 344.381 2.321 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000591869486 468537777 /nfs/dbraw/zinc/53/77/77/468537777.db2.gz ZUAPCPPLPKCCHC-UONOGXRCSA-N 2 2 344.381 2.321 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCC2 ZINC000594494777 468608067 /nfs/dbraw/zinc/60/80/67/468608067.db2.gz FZRFSFYZJHELBU-BEFAXECRSA-N 2 2 346.471 2.409 10 0 EEAELP CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(=O)OCC ZINC000594712699 468660495 /nfs/dbraw/zinc/66/04/95/468660495.db2.gz VZLKIRFTQCJMBB-KRWDZBQOSA-N 2 2 326.481 2.199 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000570659025 468672754 /nfs/dbraw/zinc/67/27/54/468672754.db2.gz WYFSIJVGHICYHA-GOSISDBHSA-N 2 2 344.434 2.273 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000570659025 468672755 /nfs/dbraw/zinc/67/27/55/468672755.db2.gz WYFSIJVGHICYHA-GOSISDBHSA-N 2 2 344.434 2.273 10 0 EEAELP CC(C)c1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)cc[nH+]1 ZINC000583618978 468727524 /nfs/dbraw/zinc/72/75/24/468727524.db2.gz OHBJFLDNTHQATF-WMLDXEAASA-N 2 2 328.464 2.829 10 0 EEAELP CC(C)c1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)cc[nH+]1 ZINC000583618978 468727527 /nfs/dbraw/zinc/72/75/27/468727527.db2.gz OHBJFLDNTHQATF-WMLDXEAASA-N 2 2 328.464 2.829 10 0 EEAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595108123 468760375 /nfs/dbraw/zinc/76/03/75/468760375.db2.gz ZSLALKKJMZTOLX-GDBMZVCRSA-N 2 2 326.481 2.197 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000614863869 469076205 /nfs/dbraw/zinc/07/62/05/469076205.db2.gz DZGFJRXGXKNCNM-SUMWQHHRSA-N 2 2 330.407 2.073 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000614863869 469076210 /nfs/dbraw/zinc/07/62/10/469076210.db2.gz DZGFJRXGXKNCNM-SUMWQHHRSA-N 2 2 330.407 2.073 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C[NH+]1CCCCC1 ZINC000588283916 469136385 /nfs/dbraw/zinc/13/63/85/469136385.db2.gz OOUGXAUZHWAYDM-OAHLLOKOSA-N 2 2 333.480 2.421 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000573844366 469218941 /nfs/dbraw/zinc/21/89/41/469218941.db2.gz QEQJXJMWANZVCC-RTBURBONSA-N 2 2 340.471 2.240 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000573844366 469218946 /nfs/dbraw/zinc/21/89/46/469218946.db2.gz QEQJXJMWANZVCC-RTBURBONSA-N 2 2 340.471 2.240 10 0 EEAELP CC1([NH+]2CCOCC2)CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000625960360 469449273 /nfs/dbraw/zinc/44/92/73/469449273.db2.gz MWNKRQLKBSTCLX-UHFFFAOYSA-N 2 2 342.377 2.090 10 0 EEAELP C[NH2+]CCOCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000629391796 469529833 /nfs/dbraw/zinc/52/98/33/469529833.db2.gz DQVMIKLLKNSAEJ-UHFFFAOYSA-N 3 2 325.884 2.130 10 0 EEAELP COc1ccc(Br)c(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629389226 469530310 /nfs/dbraw/zinc/53/03/10/469530310.db2.gz ZWBARGNHXXOQNI-UHFFFAOYSA-N 2 2 329.238 2.055 10 0 EEAELP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583489 469583686 /nfs/dbraw/zinc/58/36/86/469583686.db2.gz AUOZAYPGWHCCRQ-ITKAJJHTSA-N 2 2 327.472 2.284 10 0 EEAELP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583489 469583691 /nfs/dbraw/zinc/58/36/91/469583691.db2.gz AUOZAYPGWHCCRQ-ITKAJJHTSA-N 2 2 327.472 2.284 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC000617764969 469795328 /nfs/dbraw/zinc/79/53/28/469795328.db2.gz OKZNYFJDPYJKJP-INIZCTEOSA-N 2 2 337.895 2.370 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCc2c1cccc2Cl ZINC000617764969 469795332 /nfs/dbraw/zinc/79/53/32/469795332.db2.gz OKZNYFJDPYJKJP-INIZCTEOSA-N 2 2 337.895 2.370 10 0 EEAELP Cc1nc(CC(C)C)sc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766855 469797691 /nfs/dbraw/zinc/79/76/91/469797691.db2.gz WYNZOEIRYCNFRY-UHFFFAOYSA-N 2 2 340.537 2.263 10 0 EEAELP Cc1nc(CC(C)C)sc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766855 469797693 /nfs/dbraw/zinc/79/76/93/469797693.db2.gz WYNZOEIRYCNFRY-UHFFFAOYSA-N 2 2 340.537 2.263 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627240247 469853693 /nfs/dbraw/zinc/85/36/93/469853693.db2.gz NLRKQGPPXBPQIE-DOTOQJQBSA-N 2 2 345.491 2.080 10 0 EEAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624228119 469881321 /nfs/dbraw/zinc/88/13/21/469881321.db2.gz IWTJWBJAHAINPQ-BXUZGUMPSA-N 2 2 345.256 2.175 10 0 EEAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624228119 469881323 /nfs/dbraw/zinc/88/13/23/469881323.db2.gz IWTJWBJAHAINPQ-BXUZGUMPSA-N 2 2 345.256 2.175 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000624352211 469915279 /nfs/dbraw/zinc/91/52/79/469915279.db2.gz NAWVZIGZACUTAH-HNNXBMFYSA-N 2 2 342.443 2.333 10 0 EEAELP CC[C@@H]1CN(C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000620898389 469943678 /nfs/dbraw/zinc/94/36/78/469943678.db2.gz ZZVGPEFSLOYBFU-QJPTWQEYSA-N 2 2 332.370 2.055 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000624520548 469966206 /nfs/dbraw/zinc/96/62/06/469966206.db2.gz RIRSRAQOPXUYBC-OGWOLHLISA-N 2 2 332.492 2.381 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccnn1CCc1ccccc1)C[NH+]1CCOCC1 ZINC000621337242 470033537 /nfs/dbraw/zinc/03/35/37/470033537.db2.gz QZPYMYQIAVQXGN-SFHVURJKSA-N 2 2 342.487 2.184 10 0 EEAELP Cc1cc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)on1 ZINC000631096912 470067440 /nfs/dbraw/zinc/06/74/40/470067440.db2.gz DJDFHBIYWNSQHL-UHFFFAOYSA-N 2 2 341.415 2.346 10 0 EEAELP Cc1nc(C)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)o1 ZINC000628198911 470074314 /nfs/dbraw/zinc/07/43/14/470074314.db2.gz QZQPYJPDYXZTFX-OAHLLOKOSA-N 2 2 334.489 2.431 10 0 EEAELP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)O1 ZINC000631175055 470086901 /nfs/dbraw/zinc/08/69/01/470086901.db2.gz RLHYOSFGHHKBAF-PXNSSMCTSA-N 2 2 348.487 2.445 10 0 EEAELP CCC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C)ccn1 ZINC000631582805 470173400 /nfs/dbraw/zinc/17/34/00/470173400.db2.gz UCOHBIGTGAXPFF-RTBURBONSA-N 2 2 346.519 2.227 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2cccc3cccc(O)c32)CC1 ZINC000631625724 470175210 /nfs/dbraw/zinc/17/52/10/470175210.db2.gz QEYWHJUCBXBWGA-UHFFFAOYSA-N 2 2 341.455 2.301 10 0 EEAELP Cc1cc(C)cc(OCc2noc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)n2)c1 ZINC000631836943 470186625 /nfs/dbraw/zinc/18/66/25/470186625.db2.gz JXIDSNGTSWMJKP-HUUCEWRRSA-N 2 2 330.432 2.292 10 0 EEAELP Cc1cc(C)cc(OCc2noc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)n2)c1 ZINC000631836943 470186626 /nfs/dbraw/zinc/18/66/26/470186626.db2.gz JXIDSNGTSWMJKP-HUUCEWRRSA-N 2 2 330.432 2.292 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000648718529 470322993 /nfs/dbraw/zinc/32/29/93/470322993.db2.gz OVQPJBPWNCHZEZ-MRXNPFEDSA-N 2 2 341.459 2.136 10 0 EEAELP CC(C)N(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649064979 470447114 /nfs/dbraw/zinc/44/71/14/470447114.db2.gz HVEGRJHTJHLDFM-GOSISDBHSA-N 2 2 326.444 2.395 10 0 EEAELP CC(C)N(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649064979 470447120 /nfs/dbraw/zinc/44/71/20/470447120.db2.gz HVEGRJHTJHLDFM-GOSISDBHSA-N 2 2 326.444 2.395 10 0 EEAELP O=C(C[N@@H+]1CCC12CCCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649657274 470655315 /nfs/dbraw/zinc/65/53/15/470655315.db2.gz VEPOMFNTQKAQDH-UHFFFAOYSA-N 2 2 333.501 2.411 10 0 EEAELP O=C(C[N@H+]1CCC12CCCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000649657274 470655319 /nfs/dbraw/zinc/65/53/19/470655319.db2.gz VEPOMFNTQKAQDH-UHFFFAOYSA-N 2 2 333.501 2.411 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1=O ZINC000647299508 470877917 /nfs/dbraw/zinc/87/79/17/470877917.db2.gz OESDRYROZBLQHR-CYBMUJFWSA-N 2 2 326.391 2.079 10 0 EEAELP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899150 471010355 /nfs/dbraw/zinc/01/03/55/471010355.db2.gz AVEYDSJYRDZYNR-RDTXWAMCSA-N 2 2 347.459 2.106 10 0 EEAELP COc1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899150 471010357 /nfs/dbraw/zinc/01/03/57/471010357.db2.gz AVEYDSJYRDZYNR-RDTXWAMCSA-N 2 2 347.459 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899688 471010744 /nfs/dbraw/zinc/01/07/44/471010744.db2.gz SQKNQUFRFFAIAS-FMKPAKJESA-N 2 2 345.443 2.206 10 0 EEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899688 471010749 /nfs/dbraw/zinc/01/07/49/471010749.db2.gz SQKNQUFRFFAIAS-FMKPAKJESA-N 2 2 345.443 2.206 10 0 EEAELP COc1nsc(C[NH2+]CCCn2cc[nH+]c2)c1Br ZINC000638287831 471025736 /nfs/dbraw/zinc/02/57/36/471025736.db2.gz WPKUFRVBEFEGSH-UHFFFAOYSA-N 2 2 331.239 2.291 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162073 471105072 /nfs/dbraw/zinc/10/50/72/471105072.db2.gz GFFPEBVTCFPSRN-VWOPQJGGSA-N 2 2 337.826 2.091 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162073 471105078 /nfs/dbraw/zinc/10/50/78/471105078.db2.gz GFFPEBVTCFPSRN-VWOPQJGGSA-N 2 2 337.826 2.091 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@H]2CC[C@H](C)S(=O)(=O)C2)n1-c1ccccc1 ZINC000657637930 471194559 /nfs/dbraw/zinc/19/45/59/471194559.db2.gz LWJBWHUCSQIUPY-ZFWWWQNUSA-N 2 2 333.457 2.236 10 0 EEAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341936 471290601 /nfs/dbraw/zinc/29/06/01/471290601.db2.gz KWYBSGYXGUMXAX-YJBOKZPZSA-N 2 2 327.476 2.185 10 0 EEAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341936 471290603 /nfs/dbraw/zinc/29/06/03/471290603.db2.gz KWYBSGYXGUMXAX-YJBOKZPZSA-N 2 2 327.476 2.185 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655475502 471342366 /nfs/dbraw/zinc/34/23/66/471342366.db2.gz DWHPCAQMCBWFCV-APWZRJJASA-N 2 2 347.890 2.204 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655475502 471342370 /nfs/dbraw/zinc/34/23/70/471342370.db2.gz DWHPCAQMCBWFCV-APWZRJJASA-N 2 2 347.890 2.204 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC34CCC(CC3)CC4)C2)CC1 ZINC000655551757 471379020 /nfs/dbraw/zinc/37/90/20/471379020.db2.gz GAXBHBSHNUMFHU-KOHRHEQBSA-N 2 2 334.508 2.177 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC34CCC(CC3)CC4)C2)CC1 ZINC000655551757 471379022 /nfs/dbraw/zinc/37/90/22/471379022.db2.gz GAXBHBSHNUMFHU-KOHRHEQBSA-N 2 2 334.508 2.177 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000666508315 471427885 /nfs/dbraw/zinc/42/78/85/471427885.db2.gz KTMAOBRMUUCILR-RYRKJORJSA-N 2 2 336.524 2.090 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000666508315 471427890 /nfs/dbraw/zinc/42/78/90/471427890.db2.gz KTMAOBRMUUCILR-RYRKJORJSA-N 2 2 336.524 2.090 10 0 EEAELP C[C@@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000653123179 471499818 /nfs/dbraw/zinc/49/98/18/471499818.db2.gz QOPBDDLYYFRQGN-KDOFPFPSSA-N 2 2 326.444 2.205 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000663898251 471570588 /nfs/dbraw/zinc/57/05/88/471570588.db2.gz DCORWQHVLARMGM-QGZVFWFLSA-N 2 2 348.491 2.083 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCOc2ccccc21 ZINC000663898251 471570589 /nfs/dbraw/zinc/57/05/89/471570589.db2.gz DCORWQHVLARMGM-QGZVFWFLSA-N 2 2 348.491 2.083 10 0 EEAELP O[C@H]1CC[N@@H+](Cc2ccc(CNc3cc[nH+]c4ccncc34)cc2)C1 ZINC000664238662 471690264 /nfs/dbraw/zinc/69/02/64/471690264.db2.gz JGFXWYFQCYPQHT-KRWDZBQOSA-N 2 2 334.423 2.230 10 0 EEAELP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1[nH+]ccn1C ZINC000667256761 471711216 /nfs/dbraw/zinc/71/12/16/471711216.db2.gz SWNGCDUSUCZPDI-CQSZACIVSA-N 2 2 347.438 2.394 10 0 EEAELP O=C(C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1)N1CCCC1 ZINC000667492127 471798908 /nfs/dbraw/zinc/79/89/08/471798908.db2.gz XBWQBWNDZDGKIJ-UHFFFAOYSA-N 2 2 339.443 2.102 10 0 EEAELP CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667566205 471824814 /nfs/dbraw/zinc/82/48/14/471824814.db2.gz QMHWBHWIRSBAOU-MRXNPFEDSA-N 2 2 341.459 2.252 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661630233 471834142 /nfs/dbraw/zinc/83/41/42/471834142.db2.gz ZEZFKKWOIBNBHU-MCIONIFRSA-N 2 2 342.443 2.352 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH+]c[nH]c4C3)C2)CC1 ZINC000667668984 471861109 /nfs/dbraw/zinc/86/11/09/471861109.db2.gz DGJRDPMZCYZLRM-IRXDYDNUSA-N 2 2 344.503 2.485 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000667668984 471861112 /nfs/dbraw/zinc/86/11/12/471861112.db2.gz DGJRDPMZCYZLRM-IRXDYDNUSA-N 2 2 344.503 2.485 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[NH+]2CCCC2)o1 ZINC000667862781 471929912 /nfs/dbraw/zinc/92/99/12/471929912.db2.gz DUTGWCBLCQZXTA-YOEHRIQHSA-N 2 2 342.443 2.369 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[NH+]2CCCC2)o1 ZINC000667862781 471929917 /nfs/dbraw/zinc/92/99/17/471929917.db2.gz DUTGWCBLCQZXTA-YOEHRIQHSA-N 2 2 342.443 2.369 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000660294740 471932064 /nfs/dbraw/zinc/93/20/64/471932064.db2.gz CVHXOYLAGSUFIS-HNNXBMFYSA-N 2 2 329.448 2.049 10 0 EEAELP C[C@@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1[nH+]ccn1C ZINC000662094404 471983609 /nfs/dbraw/zinc/98/36/09/471983609.db2.gz BDEYWNLFTOZENQ-CQSZACIVSA-N 2 2 333.436 2.238 10 0 EEAELP C[C@@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1[nH+]ccn1C ZINC000662094404 471983614 /nfs/dbraw/zinc/98/36/14/471983614.db2.gz BDEYWNLFTOZENQ-CQSZACIVSA-N 2 2 333.436 2.238 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1[nH+]ccn1C ZINC000662096251 471984167 /nfs/dbraw/zinc/98/41/67/471984167.db2.gz JDGOQBKLRFXLPN-CQSZACIVSA-N 2 2 347.488 2.113 10 0 EEAELP C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OCc2nccn2C)cc1 ZINC000665276552 471988058 /nfs/dbraw/zinc/98/80/58/471988058.db2.gz GEIRBLKYDIRHOU-XVTSOASTSA-N 2 2 326.444 2.402 10 0 EEAELP C[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)Cn1cc[nH+]c1 ZINC000662687929 472206731 /nfs/dbraw/zinc/20/67/31/472206731.db2.gz KUZOURGWDJKZER-RHSMWYFYSA-N 2 2 326.444 2.328 10 0 EEAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)C1([NH2+]C2CC2)CCC1 ZINC000662752430 472235400 /nfs/dbraw/zinc/23/54/00/472235400.db2.gz PXDZOGOLDACNOL-UHFFFAOYSA-N 2 2 338.455 2.417 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662801808 472258864 /nfs/dbraw/zinc/25/88/64/472258864.db2.gz FOOAAGPPGDMGSE-UHFFFAOYSA-N 2 2 333.436 2.180 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CCC4(CC4)CC3)C2)CC1 ZINC000683384694 485503616 /nfs/dbraw/zinc/50/36/16/485503616.db2.gz NSQCYUYGBGEVFX-MRXNPFEDSA-N 2 2 334.508 2.177 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CCC4(CC4)CC3)C2)CC1 ZINC000683384694 485503620 /nfs/dbraw/zinc/50/36/20/485503620.db2.gz NSQCYUYGBGEVFX-MRXNPFEDSA-N 2 2 334.508 2.177 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2nn(C)c3ccccc23)CC1 ZINC000684429467 485880853 /nfs/dbraw/zinc/88/08/53/485880853.db2.gz YCONAESWOCEFJQ-UHFFFAOYSA-N 2 2 337.427 2.299 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000680389217 485960280 /nfs/dbraw/zinc/96/02/80/485960280.db2.gz RJRYJXSVIQTSNH-OTWHNJEPSA-N 2 2 334.504 2.208 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000680389217 485960285 /nfs/dbraw/zinc/96/02/85/485960285.db2.gz RJRYJXSVIQTSNH-OTWHNJEPSA-N 2 2 334.504 2.208 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000680389217 485960288 /nfs/dbraw/zinc/96/02/88/485960288.db2.gz RJRYJXSVIQTSNH-OTWHNJEPSA-N 2 2 334.504 2.208 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000680389217 485960294 /nfs/dbraw/zinc/96/02/94/485960294.db2.gz RJRYJXSVIQTSNH-OTWHNJEPSA-N 2 2 334.504 2.208 10 0 EEAELP CC(=O)C(C)(C)CCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000676525348 486249491 /nfs/dbraw/zinc/24/94/91/486249491.db2.gz RUDLEOBRZDUICI-UHFFFAOYSA-N 2 2 337.508 2.057 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000677376667 486424603 /nfs/dbraw/zinc/42/46/03/486424603.db2.gz XHNWSDRLBUKXGY-ZDUSSCGKSA-N 2 2 337.387 2.022 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000179463629 527966494 /nfs/dbraw/zinc/96/64/94/527966494.db2.gz BSJPXLZOVVVWHL-ZDUSSCGKSA-N 2 2 332.370 2.006 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000179463629 527966498 /nfs/dbraw/zinc/96/64/98/527966498.db2.gz BSJPXLZOVVVWHL-ZDUSSCGKSA-N 2 2 332.370 2.006 10 0 EEAELP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423021476 537098130 /nfs/dbraw/zinc/09/81/30/537098130.db2.gz FFJMZCJZMLEZIV-ZMYBRWDISA-N 2 2 334.460 2.067 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccccc1C#N ZINC000066007464 681283092 /nfs/dbraw/zinc/28/30/92/681283092.db2.gz SXVKIIHOUHAQAU-UHFFFAOYSA-N 2 2 345.516 2.213 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccccc1C#N ZINC000066007464 681283095 /nfs/dbraw/zinc/28/30/95/681283095.db2.gz SXVKIIHOUHAQAU-UHFFFAOYSA-N 2 2 345.516 2.213 10 0 EEAELP CC(C)(C)n1nnc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)n1 ZINC000895117156 683955041 /nfs/dbraw/zinc/95/50/41/683955041.db2.gz YFRNZZIXRNTQCA-HDJSIYSDSA-N 2 2 329.452 2.100 10 0 EEAELP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1N=NC(=O)N1C ZINC000895175864 684217222 /nfs/dbraw/zinc/21/72/22/684217222.db2.gz OQVPEYDHBSJJKP-DZKIICNBSA-N 2 2 329.448 2.082 10 0 EEAELP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1N=NC(=O)N1C ZINC000895175864 684217226 /nfs/dbraw/zinc/21/72/26/684217226.db2.gz OQVPEYDHBSJJKP-DZKIICNBSA-N 2 2 329.448 2.082 10 0 EEAELP O=C1N(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]2CCCCN12 ZINC000895342690 684519102 /nfs/dbraw/zinc/51/91/02/684519102.db2.gz OEFBOSHHSGPKIV-SFHVURJKSA-N 2 2 339.443 2.252 10 0 EEAELP C[C@H](CCC[NH2+]C/C(Cl)=C/Cl)NC(=O)Cc1c[nH+]cn1C ZINC001485745456 1191928703 /nfs/dbraw/zinc/92/87/03/1191928703.db2.gz UWLRMXOLLIRLTB-HBZGRHIISA-N 2 2 333.263 2.156 10 0 EEAELP C[C@@H](CCC[NH2+]C/C(Cl)=C/Cl)NC(=O)Cc1c[nH+]cn1C ZINC001485745461 1191928962 /nfs/dbraw/zinc/92/89/62/1191928962.db2.gz UWLRMXOLLIRLTB-ZWIPKHHJSA-N 2 2 333.263 2.156 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001670543970 1176875054 /nfs/dbraw/zinc/87/50/54/1176875054.db2.gz ICEYRADNYFPIRC-INIZCTEOSA-N 2 2 332.473 2.049 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001266731015 1177317037 /nfs/dbraw/zinc/31/70/37/1177317037.db2.gz OGCMSMVEQXUUNT-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)o1 ZINC001266731015 1177317044 /nfs/dbraw/zinc/31/70/44/1177317044.db2.gz OGCMSMVEQXUUNT-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266748756 1177344137 /nfs/dbraw/zinc/34/41/37/1177344137.db2.gz MKVAWOIEFCTMFL-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266848160 1177543270 /nfs/dbraw/zinc/54/32/70/1177543270.db2.gz MJDHTVVIFPJOTB-INIZCTEOSA-N 2 2 344.459 2.399 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCOCC1CCC1 ZINC001266948351 1177872586 /nfs/dbraw/zinc/87/25/86/1177872586.db2.gz OHOCAAFKYUMGQJ-ZDUSSCGKSA-N 2 2 330.432 2.088 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001267461516 1179053264 /nfs/dbraw/zinc/05/32/64/1179053264.db2.gz SWRBDDRROCZFEB-UHFFFAOYSA-N 2 2 338.814 2.301 10 0 EEAELP Cc1oncc1C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001481189232 1180040122 /nfs/dbraw/zinc/04/01/22/1180040122.db2.gz FKCGBVAUPGPSSP-ROUUACIJSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001481189232 1180040128 /nfs/dbraw/zinc/04/01/28/1180040128.db2.gz FKCGBVAUPGPSSP-ROUUACIJSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001481189232 1180040133 /nfs/dbraw/zinc/04/01/33/1180040133.db2.gz FKCGBVAUPGPSSP-ROUUACIJSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001481189232 1180040137 /nfs/dbraw/zinc/04/01/37/1180040137.db2.gz FKCGBVAUPGPSSP-ROUUACIJSA-N 2 2 346.475 2.081 10 0 EEAELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267821318 1180581656 /nfs/dbraw/zinc/58/16/56/1180581656.db2.gz BSIWIHHCGPCMIO-OCCSQVGLSA-N 2 2 349.866 2.321 10 0 EEAELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267821318 1180581661 /nfs/dbraw/zinc/58/16/61/1180581661.db2.gz BSIWIHHCGPCMIO-OCCSQVGLSA-N 2 2 349.866 2.321 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C(C)C)o1 ZINC001481319440 1181024944 /nfs/dbraw/zinc/02/49/44/1181024944.db2.gz DWDYTVZDVOBFKF-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C(C)C)o1 ZINC001481319440 1181024949 /nfs/dbraw/zinc/02/49/49/1181024949.db2.gz DWDYTVZDVOBFKF-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001481457792 1181411355 /nfs/dbraw/zinc/41/13/55/1181411355.db2.gz DYBDYPLKQGQHTB-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001481457792 1181411361 /nfs/dbraw/zinc/41/13/61/1181411361.db2.gz DYBDYPLKQGQHTB-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001268153512 1181847132 /nfs/dbraw/zinc/84/71/32/1181847132.db2.gz KEXIBSYMNXILLP-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268377168 1182392388 /nfs/dbraw/zinc/39/23/88/1182392388.db2.gz HKDDFXZBWXYEDG-CDRMENOJSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001268377679 1182393874 /nfs/dbraw/zinc/39/38/74/1182393874.db2.gz CZRVVKZSFJRJFR-LLVKDONJSA-N 2 2 341.415 2.466 10 0 EEAELP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001481780137 1182683294 /nfs/dbraw/zinc/68/32/94/1182683294.db2.gz ZJQOVANQBTXTAV-DLBZAZTESA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001481780137 1182683301 /nfs/dbraw/zinc/68/33/01/1182683301.db2.gz ZJQOVANQBTXTAV-DLBZAZTESA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001481780137 1182683310 /nfs/dbraw/zinc/68/33/10/1182683310.db2.gz ZJQOVANQBTXTAV-DLBZAZTESA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001481780137 1182683314 /nfs/dbraw/zinc/68/33/14/1182683314.db2.gz ZJQOVANQBTXTAV-DLBZAZTESA-N 2 2 348.491 2.056 10 0 EEAELP CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001482190460 1183598176 /nfs/dbraw/zinc/59/81/76/1183598176.db2.gz MNHKJAZCIPVMJX-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001482190460 1183598177 /nfs/dbraw/zinc/59/81/77/1183598177.db2.gz MNHKJAZCIPVMJX-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP C[C@@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268693555 1183613454 /nfs/dbraw/zinc/61/34/54/1183613454.db2.gz HFWZJDJYPVVFNB-STQMWFEESA-N 2 2 346.397 2.272 10 0 EEAELP Cc1cccc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCOCC2)c1 ZINC001268881278 1183789090 /nfs/dbraw/zinc/78/90/90/1183789090.db2.gz SKZNJHAVVXCOOY-UHFFFAOYSA-N 2 2 347.503 2.044 10 0 EEAELP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001482206249 1183980337 /nfs/dbraw/zinc/98/03/37/1183980337.db2.gz CVFFCXTWVXOYMJ-RBUKOAKNSA-N 2 2 347.503 2.297 10 0 EEAELP CCCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001482206249 1183980342 /nfs/dbraw/zinc/98/03/42/1183980342.db2.gz CVFFCXTWVXOYMJ-RBUKOAKNSA-N 2 2 347.503 2.297 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001269255010 1184105797 /nfs/dbraw/zinc/10/57/97/1184105797.db2.gz JXISWDDQZCTNAW-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001269255010 1184105802 /nfs/dbraw/zinc/10/58/02/1184105802.db2.gz JXISWDDQZCTNAW-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]CC=C(Cl)Cl)CC1 ZINC001269928402 1184721711 /nfs/dbraw/zinc/72/17/11/1184721711.db2.gz QPCVGDLTLYMDJI-UHFFFAOYSA-N 2 2 345.274 2.490 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482358432 1185506852 /nfs/dbraw/zinc/50/68/52/1185506852.db2.gz NBYRHICYUGDDMM-ZDUSSCGKSA-N 2 2 339.443 2.379 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001271415410 1186199597 /nfs/dbraw/zinc/19/95/97/1186199597.db2.gz HOQDMHXSBCCWLT-YOEHRIQHSA-N 2 2 333.476 2.484 10 0 EEAELP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001482570368 1186904687 /nfs/dbraw/zinc/90/46/87/1186904687.db2.gz CVPNQYQYBLMWDZ-KBPBESRZSA-N 2 2 328.407 2.049 10 0 EEAELP CC(C)(C)CCC[NH2+]C[C@H](O)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482742433 1187700605 /nfs/dbraw/zinc/70/06/05/1187700605.db2.gz QTZDQAJOPNLHLE-AWEZNQCLSA-N 2 2 332.448 2.070 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)co1 ZINC001482847969 1187766428 /nfs/dbraw/zinc/76/64/28/1187766428.db2.gz VERZCUAZNOEJQV-NSHDSACASA-N 2 2 327.388 2.158 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]2CCCCCC2)co1 ZINC001483069608 1188417049 /nfs/dbraw/zinc/41/70/49/1188417049.db2.gz OBNSICGOZGITLW-LLYBFZRZSA-N 2 2 334.464 2.010 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001483100141 1188477340 /nfs/dbraw/zinc/47/73/40/1188477340.db2.gz AKKUYJBQVMRXKE-DDKKJVIOSA-N 2 2 338.455 2.265 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001483175869 1189027136 /nfs/dbraw/zinc/02/71/36/1189027136.db2.gz WUSCYPKMFQDVIZ-VXGBXAGGSA-N 2 2 336.386 2.161 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001483175869 1189027140 /nfs/dbraw/zinc/02/71/40/1189027140.db2.gz WUSCYPKMFQDVIZ-VXGBXAGGSA-N 2 2 336.386 2.161 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1F)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001409346807 1189557500 /nfs/dbraw/zinc/55/75/00/1189557500.db2.gz CDCLSMJSAIDTAX-KGLIPLIRSA-N 2 2 332.423 2.175 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001485929404 1193648991 /nfs/dbraw/zinc/64/89/91/1193648991.db2.gz WPMBBGWCVOJTFQ-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP C[C@@H](C[NH2+]Cc1nc2ccccc2o1)NC(=O)CCCn1cc[nH+]c1 ZINC001483298328 1190320853 /nfs/dbraw/zinc/32/08/53/1190320853.db2.gz DFUAHOQNFGGCPG-AWEZNQCLSA-N 2 2 341.415 2.099 10 0 EEAELP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400789 1190443959 /nfs/dbraw/zinc/44/39/59/1190443959.db2.gz NUVQZENNRMRZLX-HIFRSBDPSA-N 2 2 333.411 2.066 10 0 EEAELP CC[C@H](F)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400789 1190443960 /nfs/dbraw/zinc/44/39/60/1190443960.db2.gz NUVQZENNRMRZLX-HIFRSBDPSA-N 2 2 333.411 2.066 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)CCC[NH2+]CC[C@H](C)F)[nH+]c12 ZINC001483498038 1190514679 /nfs/dbraw/zinc/51/46/79/1190514679.db2.gz KYPMUDNRUNJVPH-HNNXBMFYSA-N 2 2 334.439 2.371 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cscn1)[NH+](C)C ZINC001409831428 1190663914 /nfs/dbraw/zinc/66/39/14/1190663914.db2.gz WRMONCKZSXGPLN-JKSUJKDBSA-N 2 2 338.521 2.344 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cscn1)[NH+](C)C ZINC001409831428 1190663917 /nfs/dbraw/zinc/66/39/17/1190663917.db2.gz WRMONCKZSXGPLN-JKSUJKDBSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)c1cnc(C[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001483742924 1190894876 /nfs/dbraw/zinc/89/48/76/1190894876.db2.gz OKQUKIKGXILVGC-HNNXBMFYSA-N 2 2 348.491 2.411 10 0 EEAELP CC(C)c1cnc(C[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001483742924 1190894880 /nfs/dbraw/zinc/89/48/80/1190894880.db2.gz OKQUKIKGXILVGC-HNNXBMFYSA-N 2 2 348.491 2.411 10 0 EEAELP CC/C=C/CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001483876524 1191104364 /nfs/dbraw/zinc/10/43/64/1191104364.db2.gz WNQPCIJHMFDSEI-SQRWCISFSA-N 2 2 330.476 2.253 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001483947523 1191127234 /nfs/dbraw/zinc/12/72/34/1191127234.db2.gz SGQXFZTYHHQUEP-YPMHNXCESA-N 2 2 332.370 2.121 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001483947523 1191127236 /nfs/dbraw/zinc/12/72/36/1191127236.db2.gz SGQXFZTYHHQUEP-YPMHNXCESA-N 2 2 332.370 2.121 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001484544034 1191407059 /nfs/dbraw/zinc/40/70/59/1191407059.db2.gz RZWAFZRSGFPJEE-CYBMUJFWSA-N 2 2 348.397 2.259 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)n1 ZINC001484988063 1191604411 /nfs/dbraw/zinc/60/44/11/1191604411.db2.gz OLNNOOBZOFJIMH-SJORKVTESA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)n1 ZINC001484988063 1191604412 /nfs/dbraw/zinc/60/44/12/1191604412.db2.gz OLNNOOBZOFJIMH-SJORKVTESA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)n1 ZINC001484988063 1191604414 /nfs/dbraw/zinc/60/44/14/1191604414.db2.gz OLNNOOBZOFJIMH-SJORKVTESA-N 2 2 349.523 2.273 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001485041733 1191623011 /nfs/dbraw/zinc/62/30/11/1191623011.db2.gz HQISYXQBWNTESE-SFHVURJKSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc2ncccc2c1 ZINC001485395497 1191772359 /nfs/dbraw/zinc/77/23/59/1191772359.db2.gz NAQUPMRKHRJKDI-OAHLLOKOSA-N 2 2 337.427 2.068 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC001485395497 1191772360 /nfs/dbraw/zinc/77/23/60/1191772360.db2.gz NAQUPMRKHRJKDI-OAHLLOKOSA-N 2 2 337.427 2.068 10 0 EEAELP CCCC[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485464977 1191795012 /nfs/dbraw/zinc/79/50/12/1191795012.db2.gz DECMEICHRURKJS-JFCGUDLGSA-N 2 2 338.883 2.463 10 0 EEAELP Cc1ncsc1C[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001485484575 1191800572 /nfs/dbraw/zinc/80/05/72/1191800572.db2.gz IQSUGLXNWIIATR-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1ncsc1C[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001485484575 1191800575 /nfs/dbraw/zinc/80/05/75/1191800575.db2.gz IQSUGLXNWIIATR-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC001486236022 1193762098 /nfs/dbraw/zinc/76/20/98/1193762098.db2.gz LCWUEUVTDMKSCT-CVEARBPZSA-N 2 2 330.476 2.238 10 0 EEAELP Cc1cc(C[N@@H+](C)CCN(C(=O)Cn2c[nH+]cc2C)C(C)C)sn1 ZINC001486372318 1193877170 /nfs/dbraw/zinc/87/71/70/1193877170.db2.gz XPQKXWBYHXZIIP-UHFFFAOYSA-N 2 2 349.504 2.325 10 0 EEAELP Cc1cc(C[N@H+](C)CCN(C(=O)Cn2c[nH+]cc2C)C(C)C)sn1 ZINC001486372318 1193877178 /nfs/dbraw/zinc/87/71/78/1193877178.db2.gz XPQKXWBYHXZIIP-UHFFFAOYSA-N 2 2 349.504 2.325 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001486439067 1193958386 /nfs/dbraw/zinc/95/83/86/1193958386.db2.gz KXCDTVDPXIQPKQ-MRXNPFEDSA-N 2 2 341.459 2.085 10 0 EEAELP Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001410225822 1197616915 /nfs/dbraw/zinc/61/69/15/1197616915.db2.gz MKGOZKUKQSIHLG-BRWVUGGUSA-N 2 2 341.459 2.222 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001410373543 1197766874 /nfs/dbraw/zinc/76/68/74/1197766874.db2.gz FJSAVEPDTLNSAP-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]C/C(Cl)=C\Cl ZINC001410434214 1197882434 /nfs/dbraw/zinc/88/24/34/1197882434.db2.gz JBWNGXIYMNCFBA-NIUAEAPJSA-N 2 2 345.274 2.279 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151398 1198058585 /nfs/dbraw/zinc/05/85/85/1198058585.db2.gz KMBYDKWUCSVOQK-MBNYWOFBSA-N 2 2 335.414 2.235 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151398 1198058595 /nfs/dbraw/zinc/05/85/95/1198058595.db2.gz KMBYDKWUCSVOQK-MBNYWOFBSA-N 2 2 335.414 2.235 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865412671 1198203804 /nfs/dbraw/zinc/20/38/04/1198203804.db2.gz SDXBGDTURNKGAY-LBPRGKRZSA-N 2 2 332.408 2.198 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000124348809 1198468120 /nfs/dbraw/zinc/46/81/20/1198468120.db2.gz LAOVBSMVNHKTJV-VQTJNVASSA-N 2 2 341.499 2.465 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2 ZINC001410915417 1198570828 /nfs/dbraw/zinc/57/08/28/1198570828.db2.gz VPWLSKXNCADWOH-IEBWSBKVSA-N 2 2 339.443 2.051 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@H]1[N@@H+](Cc1cccnc1)CC2 ZINC001410915417 1198570832 /nfs/dbraw/zinc/57/08/32/1198570832.db2.gz VPWLSKXNCADWOH-IEBWSBKVSA-N 2 2 339.443 2.051 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)sn1 ZINC001410972256 1198650235 /nfs/dbraw/zinc/65/02/35/1198650235.db2.gz XUGFUCNCSSCARB-LSDHHAIUSA-N 2 2 347.488 2.113 10 0 EEAELP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001411239367 1198953836 /nfs/dbraw/zinc/95/38/36/1198953836.db2.gz VNADCZWZPWZTCQ-KLAILNCOSA-N 2 2 332.492 2.461 10 0 EEAELP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000866395876 1201506996 /nfs/dbraw/zinc/50/69/96/1201506996.db2.gz HMBGYAMIBLNTNM-DOPJRALCSA-N 2 2 333.451 2.379 10 0 EEAELP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000866395876 1201507002 /nfs/dbraw/zinc/50/70/02/1201507002.db2.gz HMBGYAMIBLNTNM-DOPJRALCSA-N 2 2 333.451 2.379 10 0 EEAELP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869105501 1201940530 /nfs/dbraw/zinc/94/05/30/1201940530.db2.gz UQPKHSWJVHAOAK-GOSISDBHSA-N 2 2 330.476 2.156 10 0 EEAELP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869105501 1201940532 /nfs/dbraw/zinc/94/05/32/1201940532.db2.gz UQPKHSWJVHAOAK-GOSISDBHSA-N 2 2 330.476 2.156 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001274083011 1204359524 /nfs/dbraw/zinc/35/95/24/1204359524.db2.gz XCZLDBWFFIPPJN-NSCUHMNNSA-N 2 2 330.407 2.252 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001274083011 1204359528 /nfs/dbraw/zinc/35/95/28/1204359528.db2.gz XCZLDBWFFIPPJN-NSCUHMNNSA-N 2 2 330.407 2.252 10 0 EEAELP O=C(NCC=CC[NH2+]CC[C@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001274125599 1204389576 /nfs/dbraw/zinc/38/95/76/1204389576.db2.gz RYIDVTJVJBRAII-WOMSROEHSA-N 2 2 342.443 2.398 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1=CCCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001274141464 1204400004 /nfs/dbraw/zinc/40/00/04/1204400004.db2.gz HYVQHFWREJLPCH-BDUNBXCCSA-N 2 2 328.460 2.208 10 0 EEAELP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001275100478 1205255827 /nfs/dbraw/zinc/25/58/27/1205255827.db2.gz LPOFVILTIYDWNH-RBUKOAKNSA-N 2 2 349.519 2.130 10 0 EEAELP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001275100478 1205255829 /nfs/dbraw/zinc/25/58/29/1205255829.db2.gz LPOFVILTIYDWNH-RBUKOAKNSA-N 2 2 349.519 2.130 10 0 EEAELP C[NH+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275100478 1205255832 /nfs/dbraw/zinc/25/58/32/1205255832.db2.gz LPOFVILTIYDWNH-RBUKOAKNSA-N 2 2 349.519 2.130 10 0 EEAELP C[NH+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275100478 1205255834 /nfs/dbraw/zinc/25/58/34/1205255834.db2.gz LPOFVILTIYDWNH-RBUKOAKNSA-N 2 2 349.519 2.130 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924611690 1206003689 /nfs/dbraw/zinc/00/36/89/1206003689.db2.gz GIQFOZMSTMKASR-FGTMMUONSA-N 2 2 334.460 2.344 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924611690 1206003692 /nfs/dbraw/zinc/00/36/92/1206003692.db2.gz GIQFOZMSTMKASR-FGTMMUONSA-N 2 2 334.460 2.344 10 0 EEAELP c1ccc([C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)N2CCOCC2)cc1 ZINC000925516076 1206121909 /nfs/dbraw/zinc/12/19/09/1206121909.db2.gz GVPCTNNGSGNYNS-MOPGFXCFSA-N 2 2 329.488 2.324 10 0 EEAELP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623063 1206136888 /nfs/dbraw/zinc/13/68/88/1206136888.db2.gz OOHKXXZGXURRJJ-ZGXWSNOMSA-N 3 2 345.531 2.365 10 0 EEAELP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623063 1206136890 /nfs/dbraw/zinc/13/68/90/1206136890.db2.gz OOHKXXZGXURRJJ-ZGXWSNOMSA-N 3 2 345.531 2.365 10 0 EEAELP Cn1ncc(Br)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925726598 1206146826 /nfs/dbraw/zinc/14/68/26/1206146826.db2.gz UMLZEIFQRQLONP-OCCSQVGLSA-N 2 2 341.297 2.441 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(-c3ccccc3)ns2)CC1 ZINC000926045323 1206185583 /nfs/dbraw/zinc/18/55/83/1206185583.db2.gz CRIUYNBPTBPHFO-UHFFFAOYSA-N 2 2 345.472 2.355 10 0 EEAELP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)C1 ZINC000929982329 1206524949 /nfs/dbraw/zinc/52/49/49/1206524949.db2.gz SLYBGKXANICIMB-ARFHVFGLSA-N 2 2 349.441 2.198 10 0 EEAELP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)C1 ZINC000929982329 1206524950 /nfs/dbraw/zinc/52/49/50/1206524950.db2.gz SLYBGKXANICIMB-ARFHVFGLSA-N 2 2 349.441 2.198 10 0 EEAELP C[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(=O)c1ccc(O)cc1 ZINC000931076574 1206604964 /nfs/dbraw/zinc/60/49/64/1206604964.db2.gz TVUPAEDFCAPHLH-CRAIPNDOSA-N 2 2 334.460 2.254 10 0 EEAELP C[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(=O)c1ccc(O)cc1 ZINC000931076574 1206604965 /nfs/dbraw/zinc/60/49/65/1206604965.db2.gz TVUPAEDFCAPHLH-CRAIPNDOSA-N 2 2 334.460 2.254 10 0 EEAELP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001412950480 1216145960 /nfs/dbraw/zinc/14/59/60/1216145960.db2.gz SAWSSTNQQFIBJA-KRWDZBQOSA-N 2 2 326.444 2.247 10 0 EEAELP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001412950480 1216145961 /nfs/dbraw/zinc/14/59/61/1216145961.db2.gz SAWSSTNQQFIBJA-KRWDZBQOSA-N 2 2 326.444 2.247 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000796574478 1221420707 /nfs/dbraw/zinc/42/07/07/1221420707.db2.gz FGMZYGULNYSRQB-QGZVFWFLSA-N 2 2 349.381 2.224 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnc1C(F)F ZINC000900693484 1234668799 /nfs/dbraw/zinc/66/87/99/1234668799.db2.gz UHZVTKSQFKNEGQ-UHFFFAOYSA-N 2 2 340.418 2.117 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnc1C(F)F ZINC000900693484 1234668803 /nfs/dbraw/zinc/66/88/03/1234668803.db2.gz UHZVTKSQFKNEGQ-UHFFFAOYSA-N 2 2 340.418 2.117 10 0 EEAELP COCC[N@@H+]1CC[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000383079912 1241368833 /nfs/dbraw/zinc/36/88/33/1241368833.db2.gz SVVQHIZQNVLLKZ-PMACEKPBSA-N 2 2 331.504 2.209 10 0 EEAELP COCC[N@H+]1CC[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000383079912 1241368848 /nfs/dbraw/zinc/36/88/48/1241368848.db2.gz SVVQHIZQNVLLKZ-PMACEKPBSA-N 2 2 331.504 2.209 10 0 EEAELP COCC[NH+]1CC[C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383079912 1241368860 /nfs/dbraw/zinc/36/88/60/1241368860.db2.gz SVVQHIZQNVLLKZ-PMACEKPBSA-N 2 2 331.504 2.209 10 0 EEAELP COCC[NH+]1CC[C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000383079912 1241368873 /nfs/dbraw/zinc/36/88/73/1241368873.db2.gz SVVQHIZQNVLLKZ-PMACEKPBSA-N 2 2 331.504 2.209 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2nc3c(s2)CCCC3)cnn1C ZINC000903891958 1242357212 /nfs/dbraw/zinc/35/72/12/1242357212.db2.gz DWAPIVVBOUBPAJ-CQSZACIVSA-N 2 2 347.532 2.313 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2nc3c(s2)CCCC3)cnn1C ZINC000903891958 1242357222 /nfs/dbraw/zinc/35/72/22/1242357222.db2.gz DWAPIVVBOUBPAJ-CQSZACIVSA-N 2 2 347.532 2.313 10 0 EEAELP CC[C@@](C)([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000903898403 1242390928 /nfs/dbraw/zinc/39/09/28/1242390928.db2.gz LDIQZYARDVAKNV-CZUORRHYSA-N 2 2 334.493 2.383 10 0 EEAELP COc1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)c1)O[C@@H](C)C2 ZINC000903954816 1242693358 /nfs/dbraw/zinc/69/33/58/1242693358.db2.gz GTWCQZMIUSYKOO-FZMZJTMJSA-N 2 2 326.387 2.353 10 0 EEAELP Fc1ccc(Cn2cc(C[NH2+]C[C@H]3C[NH2+]CCC3(F)F)cn2)cc1 ZINC000903956664 1242714656 /nfs/dbraw/zinc/71/46/56/1242714656.db2.gz MRXYFSPESHQSJM-OAHLLOKOSA-N 2 2 338.377 2.405 10 0 EEAELP CC(C)([NH3+])C[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC000903987985 1242886514 /nfs/dbraw/zinc/88/65/14/1242886514.db2.gz LWRZJKYCRPZOCC-UHFFFAOYSA-N 2 2 333.411 2.263 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001491024645 1258582275 /nfs/dbraw/zinc/58/22/75/1258582275.db2.gz MFBLHCSUULQNNI-YUELXQCFSA-N 2 2 340.418 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001491024645 1258582279 /nfs/dbraw/zinc/58/22/79/1258582279.db2.gz MFBLHCSUULQNNI-YUELXQCFSA-N 2 2 340.418 2.405 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc2ncccc2c1 ZINC001491486589 1259136958 /nfs/dbraw/zinc/13/69/58/1259136958.db2.gz LDLKFTJEYSKGKY-KBRIMQKVSA-N 2 2 349.438 2.356 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc2ncccc2c1 ZINC001491486589 1259136960 /nfs/dbraw/zinc/13/69/60/1259136960.db2.gz LDLKFTJEYSKGKY-KBRIMQKVSA-N 2 2 349.438 2.356 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)NCC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001480926324 1276653383 /nfs/dbraw/zinc/65/33/83/1276653383.db2.gz ONKWGIBATBURAL-UHFFFAOYSA-N 2 2 349.866 2.268 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)NCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC001480926324 1276653394 /nfs/dbraw/zinc/65/33/94/1276653394.db2.gz ONKWGIBATBURAL-UHFFFAOYSA-N 2 2 349.866 2.268 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001488869573 1290252410 /nfs/dbraw/zinc/25/24/10/1290252410.db2.gz MEHALCQBKQUEDV-HAQNSBGRSA-N 2 2 332.370 2.169 10 0 EEAELP Cc1ccccc1[C@@H](O)C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000852042461 1291968645 /nfs/dbraw/zinc/96/86/45/1291968645.db2.gz WVUWXAHFCJICMT-ICSRJNTNSA-N 2 2 334.504 2.442 10 0 EEAELP Cc1ccccc1[C@@H](O)C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852042461 1291968647 /nfs/dbraw/zinc/96/86/47/1291968647.db2.gz WVUWXAHFCJICMT-ICSRJNTNSA-N 2 2 334.504 2.442 10 0 EEAELP c1n[nH]c2c1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000857846364 1293929176 /nfs/dbraw/zinc/92/91/76/1293929176.db2.gz YOGPPFZCQOFFFF-GOSISDBHSA-N 2 2 326.444 2.409 10 0 EEAELP CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000861349164 1295353710 /nfs/dbraw/zinc/35/37/10/1295353710.db2.gz IBEXLLQVWWZIHU-NSHGMRRFSA-N 2 2 346.471 2.303 10 0 EEAELP CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000861349164 1295353718 /nfs/dbraw/zinc/35/37/18/1295353718.db2.gz IBEXLLQVWWZIHU-NSHGMRRFSA-N 2 2 346.471 2.303 10 0 EEAELP CO[C@@H]1C[NH+](C)[C@](C)(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000861349164 1295353727 /nfs/dbraw/zinc/35/37/27/1295353727.db2.gz IBEXLLQVWWZIHU-NSHGMRRFSA-N 2 2 346.471 2.303 10 0 EEAELP CO[C@@H]1C[NH+](C)[C@](C)(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000861349164 1295353739 /nfs/dbraw/zinc/35/37/39/1295353739.db2.gz 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ZINC000913393717 788849666 /nfs/dbraw/zinc/84/96/66/788849666.db2.gz YIGSODVAPXDXKH-UHFFFAOYSA-N 2 2 340.471 2.417 10 0 EEAELP CCOC(=O)c1cn(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1C ZINC000151813536 794185676 /nfs/dbraw/zinc/18/56/76/794185676.db2.gz BTKCTGXUAJTIOQ-UHFFFAOYSA-N 2 2 334.464 2.134 10 0 EEAELP Cn1nc2c(c1C[NH2+]C1CC[NH+](C3CCCCC3)CC1)COCC2 ZINC000921809549 796418543 /nfs/dbraw/zinc/41/85/43/796418543.db2.gz IMPJLWIOCCJDJJ-UHFFFAOYSA-N 2 2 332.492 2.380 10 0 EEAELP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1csc(C2CC2)n1 ZINC001566516592 1125689003 /nfs/dbraw/zinc/68/90/03/1125689003.db2.gz QSKWXGFMOIWEEB-UHFFFAOYSA-N 2 2 336.505 2.054 10 0 EEAELP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1csc(C2CC2)n1 ZINC001566516592 1125689009 /nfs/dbraw/zinc/68/90/09/1125689009.db2.gz QSKWXGFMOIWEEB-UHFFFAOYSA-N 2 2 336.505 2.054 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1nc2ccccc2o1 ZINC001566566937 1125744667 /nfs/dbraw/zinc/74/46/67/1125744667.db2.gz QPPKIYJUURREBB-UHFFFAOYSA-N 2 2 341.415 2.122 10 0 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NMZWZFYZTKBICM-WMLDXEAASA-N 2 2 344.459 2.310 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC=C(Cl)Cl ZINC001437380254 1089627511 /nfs/dbraw/zinc/62/75/11/1089627511.db2.gz PAZCJFIELOVXIW-GMTAPVOTSA-N 2 2 331.247 2.317 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC=C(Cl)Cl ZINC001437380254 1089627518 /nfs/dbraw/zinc/62/75/18/1089627518.db2.gz PAZCJFIELOVXIW-GMTAPVOTSA-N 2 2 331.247 2.317 10 0 EEAELP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001437387645 1089641459 /nfs/dbraw/zinc/64/14/59/1089641459.db2.gz ZKJXHYBWZCKSGG-STQMWFEESA-N 2 2 328.407 2.262 10 0 EEAELP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001437387645 1089641467 /nfs/dbraw/zinc/64/14/67/1089641467.db2.gz ZKJXHYBWZCKSGG-STQMWFEESA-N 2 2 328.407 2.262 10 0 EEAELP C[N@H+](CCNC(=O)c1cc(C[NH+]2CCCC2)on1)Cc1ccsc1 ZINC001437515901 1089923761 /nfs/dbraw/zinc/92/37/61/1089923761.db2.gz FKKKYYZYULTAOY-UHFFFAOYSA-N 2 2 348.472 2.194 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc(C[NH+]2CCCC2)on1)Cc1ccsc1 ZINC001437515901 1089923778 /nfs/dbraw/zinc/92/37/78/1089923778.db2.gz FKKKYYZYULTAOY-UHFFFAOYSA-N 2 2 348.472 2.194 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(F)cc1F ZINC001437697297 1090240352 /nfs/dbraw/zinc/24/03/52/1090240352.db2.gz LDQKHTNQVYQSLV-MRXNPFEDSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(F)cc1F ZINC001437697297 1090240359 /nfs/dbraw/zinc/24/03/59/1090240359.db2.gz LDQKHTNQVYQSLV-MRXNPFEDSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC001437697297 1090240366 /nfs/dbraw/zinc/24/03/66/1090240366.db2.gz LDQKHTNQVYQSLV-MRXNPFEDSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1F ZINC001437697297 1090240376 /nfs/dbraw/zinc/24/03/76/1090240376.db2.gz LDQKHTNQVYQSLV-MRXNPFEDSA-N 2 2 339.430 2.386 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001437731024 1090287129 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348.491 2.089 10 0 EEAELP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F)[NH+](CC)CC ZINC001438175782 1090683636 /nfs/dbraw/zinc/68/36/36/1090683636.db2.gz YEQICRDAYPRUHT-MELADBBJSA-N 2 2 335.414 2.344 10 0 EEAELP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(F)(F)F)[NH+](CC)CC ZINC001438175782 1090683638 /nfs/dbraw/zinc/68/36/38/1090683638.db2.gz YEQICRDAYPRUHT-MELADBBJSA-N 2 2 335.414 2.344 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001438229866 1090709517 /nfs/dbraw/zinc/70/95/17/1090709517.db2.gz IQYBBETXIJFRTH-HIFRSBDPSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001438229866 1090709521 /nfs/dbraw/zinc/70/95/21/1090709521.db2.gz IQYBBETXIJFRTH-HIFRSBDPSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001438554625 1091047655 /nfs/dbraw/zinc/04/76/55/1091047655.db2.gz SAGUBXKKGPUFKO-LRDDRELGSA-N 2 2 348.397 2.191 10 0 EEAELP 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1091773495 /nfs/dbraw/zinc/77/34/95/1091773495.db2.gz SKILDXCYNGRIPW-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](C[N@@H+](C)CC1CCC2(CC2)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001445856587 1091773503 /nfs/dbraw/zinc/77/35/03/1091773503.db2.gz SKILDXCYNGRIPW-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439129359 1091774240 /nfs/dbraw/zinc/77/42/40/1091774240.db2.gz MTDDAGNWGNURGH-TZMCWYRMSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001439224230 1091868980 /nfs/dbraw/zinc/86/89/80/1091868980.db2.gz URIJXVPDZQFXMI-JKSUJKDBSA-N 2 2 326.444 2.048 10 0 EEAELP Cc1ccncc1C[NH2+]C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001445978865 1091938212 /nfs/dbraw/zinc/93/82/12/1091938212.db2.gz JSOMWQLEIFYTDF-YJBOKZPZSA-N 2 2 341.459 2.222 10 0 EEAELP C[C@@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)NC(=O)Cn1cc[nH+]c1 ZINC001439291592 1091953229 /nfs/dbraw/zinc/95/32/29/1091953229.db2.gz LXYMRWSYFBWRLF-GJZGRUSLSA-N 2 2 326.444 2.227 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001446200784 1092279633 /nfs/dbraw/zinc/27/96/33/1092279633.db2.gz CSSJCFQXKDXWPI-QGZVFWFLSA-N 2 2 342.418 2.338 10 0 EEAELP CCO[C@H](C[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CC1)C1CC1 ZINC001439626981 1092543181 /nfs/dbraw/zinc/54/31/81/1092543181.db2.gz UOFDNRMZXVQRPJ-MRXNPFEDSA-N 2 2 342.443 2.001 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2csc(C3CC3)n2)CCC1 ZINC001440356280 1093514536 /nfs/dbraw/zinc/51/45/36/1093514536.db2.gz JXFYXQFZRLVAPZ-UHFFFAOYSA-N 2 2 345.472 2.046 10 0 EEAELP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001448539523 1093577520 /nfs/dbraw/zinc/57/75/20/1093577520.db2.gz GIDHDAMODHBMOR-INIZCTEOSA-N 2 2 339.524 2.066 10 0 EEAELP CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001448539523 1093577526 /nfs/dbraw/zinc/57/75/26/1093577526.db2.gz GIDHDAMODHBMOR-INIZCTEOSA-N 2 2 339.524 2.066 10 0 EEAELP Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c(C)n1 ZINC001440403235 1093590718 /nfs/dbraw/zinc/59/07/18/1093590718.db2.gz DGNUXHUSUNYZRC-DOTOQJQBSA-N 2 2 341.459 2.039 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001448606819 1093673560 /nfs/dbraw/zinc/67/35/60/1093673560.db2.gz QVVMKHOKXGHLNG-RDTXWAMCSA-N 2 2 341.459 2.010 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001448606819 1093673565 /nfs/dbraw/zinc/67/35/65/1093673565.db2.gz QVVMKHOKXGHLNG-RDTXWAMCSA-N 2 2 341.459 2.010 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001448670479 1093738308 /nfs/dbraw/zinc/73/83/08/1093738308.db2.gz ISLFFXMLRGKYNO-WMLDXEAASA-N 2 2 347.463 2.403 10 0 EEAELP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cc(C2CC2)no1 ZINC001448731986 1093803134 /nfs/dbraw/zinc/80/31/34/1093803134.db2.gz MAVBDDFLXDJCIB-KGLIPLIRSA-N 2 2 345.447 2.336 10 0 EEAELP CC[C@@H](C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)OC ZINC001440733463 1093981311 /nfs/dbraw/zinc/98/13/11/1093981311.db2.gz ITLCTDPVKMNTBW-GJZGRUSLSA-N 2 2 336.480 2.035 10 0 EEAELP CC[C@@H](C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)OC ZINC001440733463 1093981314 /nfs/dbraw/zinc/98/13/14/1093981314.db2.gz ITLCTDPVKMNTBW-GJZGRUSLSA-N 2 2 336.480 2.035 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001440836029 1094089061 /nfs/dbraw/zinc/08/90/61/1094089061.db2.gz VYGOEDIQPLMVIJ-RUZMYDRRSA-N 2 2 326.444 2.469 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001440852042 1094111387 /nfs/dbraw/zinc/11/13/87/1094111387.db2.gz OGKUXFGPSGCADZ-NEPJUHHUSA-N 2 2 338.814 2.359 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001441221304 1094586430 /nfs/dbraw/zinc/58/64/30/1094586430.db2.gz DDGDRYGMPLMTSG-GJZGRUSLSA-N 2 2 342.443 2.089 10 0 EEAELP C[N@H+](CCC1CC1)C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001441292328 1094726476 /nfs/dbraw/zinc/72/64/76/1094726476.db2.gz PDOZFFSBHWONNY-ROUUACIJSA-N 2 2 344.503 2.416 10 0 EEAELP C[N@@H+](CCC1CC1)C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001441292328 1094726487 /nfs/dbraw/zinc/72/64/87/1094726487.db2.gz PDOZFFSBHWONNY-ROUUACIJSA-N 2 2 344.503 2.416 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH+]cn3C)C2)c1 ZINC001441431834 1095032308 /nfs/dbraw/zinc/03/23/08/1095032308.db2.gz ODSNKQHAKYHZKH-WKILWMFISA-N 2 2 344.434 2.237 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001441849438 1095932253 /nfs/dbraw/zinc/93/22/53/1095932253.db2.gz HBZGCCPJGKCTHJ-DZGCQCFKSA-N 2 2 336.480 2.051 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001441849438 1095932264 /nfs/dbraw/zinc/93/22/64/1095932264.db2.gz HBZGCCPJGKCTHJ-DZGCQCFKSA-N 2 2 336.480 2.051 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC001441859592 1095957213 /nfs/dbraw/zinc/95/72/13/1095957213.db2.gz RUKNVFQOTGFALU-SJORKVTESA-N 2 2 340.471 2.357 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001442138270 1096383431 /nfs/dbraw/zinc/38/34/31/1096383431.db2.gz CKKPAPSZJVGIML-GOEBONIOSA-N 2 2 344.459 2.105 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]C/C(Cl)=C/Cl ZINC001442303995 1096619045 /nfs/dbraw/zinc/61/90/45/1096619045.db2.gz XIYRMPSGIHZCJO-UFSBQXNSSA-N 2 2 345.274 2.327 10 0 EEAELP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC001442498498 1096843707 /nfs/dbraw/zinc/84/37/07/1096843707.db2.gz BURMGEKNZKPMRF-UHFFFAOYSA-N 2 2 332.275 2.493 10 0 EEAELP C[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC001442498498 1096843715 /nfs/dbraw/zinc/84/37/15/1096843715.db2.gz BURMGEKNZKPMRF-UHFFFAOYSA-N 2 2 332.275 2.493 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001443186168 1097629346 /nfs/dbraw/zinc/62/93/46/1097629346.db2.gz JUYKZRLKJQSXAP-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001443186168 1097629358 /nfs/dbraw/zinc/62/93/58/1097629358.db2.gz JUYKZRLKJQSXAP-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](Cc2nocc2C)C1 ZINC001443186168 1097629368 /nfs/dbraw/zinc/62/93/68/1097629368.db2.gz JUYKZRLKJQSXAP-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](Cc2nocc2C)C1 ZINC001443186168 1097629371 /nfs/dbraw/zinc/62/93/71/1097629371.db2.gz JUYKZRLKJQSXAP-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCC[C@H](C)O ZINC001479637271 1098665619 /nfs/dbraw/zinc/66/56/19/1098665619.db2.gz VFYODMRLIZYFSI-QANKJYHBSA-N 2 2 344.459 2.307 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCC[C@H](C)O ZINC001479637271 1098665627 /nfs/dbraw/zinc/66/56/27/1098665627.db2.gz VFYODMRLIZYFSI-QANKJYHBSA-N 2 2 344.459 2.307 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCCC[C@H]2C)o1 ZINC001444153736 1098698364 /nfs/dbraw/zinc/69/83/64/1098698364.db2.gz MYJRUQMQTKIHNW-ACJLOTCBSA-N 2 2 345.447 2.104 10 0 EEAELP CC(C)OCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001479827721 1099107739 /nfs/dbraw/zinc/10/77/39/1099107739.db2.gz YGJAFJHENACRMB-NVXWUHKLSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001479827721 1099107749 /nfs/dbraw/zinc/10/77/49/1099107749.db2.gz YGJAFJHENACRMB-NVXWUHKLSA-N 2 2 336.480 2.127 10 0 EEAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001479992975 1099456372 /nfs/dbraw/zinc/45/63/72/1099456372.db2.gz HHPGBWUSEGJRIM-DJIMGWMZSA-N 2 2 348.491 2.251 10 0 EEAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001479992975 1099456377 /nfs/dbraw/zinc/45/63/77/1099456377.db2.gz HHPGBWUSEGJRIM-DJIMGWMZSA-N 2 2 348.491 2.251 10 0 EEAELP Cc1ncccc1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001444687005 1099535081 /nfs/dbraw/zinc/53/50/81/1099535081.db2.gz NKPLBMRCXDDRAE-HUUCEWRRSA-N 2 2 329.448 2.174 10 0 EEAELP C[C@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444693613 1099545876 /nfs/dbraw/zinc/54/58/76/1099545876.db2.gz NYYSRADFZMCLKY-HZPDHXFCSA-N 2 2 340.471 2.194 10 0 EEAELP CCc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001480216997 1099830946 /nfs/dbraw/zinc/83/09/46/1099830946.db2.gz KYEOHTHIKVZLNH-HDICACEKSA-N 2 2 326.444 2.273 10 0 EEAELP COCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001480373711 1100155909 /nfs/dbraw/zinc/15/59/09/1100155909.db2.gz RVLUSOIFMJEXMR-ZWKOTPCHSA-N 2 2 348.491 2.143 10 0 EEAELP COCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001480373711 1100155913 /nfs/dbraw/zinc/15/59/13/1100155913.db2.gz RVLUSOIFMJEXMR-ZWKOTPCHSA-N 2 2 348.491 2.143 10 0 EEAELP CN(CC[N@H+](C)CC[C@@H]1CCCC1(F)F)C(=O)CCn1cc[nH+]c1 ZINC001445021862 1100180184 /nfs/dbraw/zinc/18/01/84/1100180184.db2.gz UKUSGCOWDLNHJS-HNNXBMFYSA-N 2 2 342.434 2.489 10 0 EEAELP CN(CC[N@@H+](C)CC[C@@H]1CCCC1(F)F)C(=O)CCn1cc[nH+]c1 ZINC001445021862 1100180188 /nfs/dbraw/zinc/18/01/88/1100180188.db2.gz UKUSGCOWDLNHJS-HNNXBMFYSA-N 2 2 342.434 2.489 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001480488934 1100299480 /nfs/dbraw/zinc/29/94/80/1100299480.db2.gz BSTANTHYEKCGPZ-LSDHHAIUSA-N 2 2 344.434 2.188 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001480579695 1100425857 /nfs/dbraw/zinc/42/58/57/1100425857.db2.gz NXGFMAHEUAXLCW-DGCLKSJQSA-N 2 2 328.407 2.180 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC001495414529 1101134148 /nfs/dbraw/zinc/13/41/48/1101134148.db2.gz BITPNOVKJDCLFQ-UHFFFAOYSA-N 2 2 347.488 2.217 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC001495414529 1101134150 /nfs/dbraw/zinc/13/41/50/1101134150.db2.gz BITPNOVKJDCLFQ-UHFFFAOYSA-N 2 2 347.488 2.217 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC(CC[NH2+]Cc2ccsc2)CC1 ZINC001495429558 1101146856 /nfs/dbraw/zinc/14/68/56/1101146856.db2.gz XJWYKXNOLWCZKO-UHFFFAOYSA-N 2 2 332.473 2.432 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001447042815 1101836316 /nfs/dbraw/zinc/83/63/16/1101836316.db2.gz LNTTVVYLZBAJDU-FGTMMUONSA-N 2 2 332.492 2.488 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001447042815 1101836336 /nfs/dbraw/zinc/83/63/36/1101836336.db2.gz LNTTVVYLZBAJDU-FGTMMUONSA-N 2 2 332.492 2.488 10 0 EEAELP CC(C)n1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001496169381 1102163335 /nfs/dbraw/zinc/16/33/35/1102163335.db2.gz BRXLZUJSPRKSSV-HOTGVXAUSA-N 2 2 346.479 2.248 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc2ncccc2c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497297094 1102272266 /nfs/dbraw/zinc/27/22/66/1102272266.db2.gz IXMGGBYJPVIECO-CQSZACIVSA-N 2 2 337.427 2.185 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001497414362 1102450636 /nfs/dbraw/zinc/45/06/36/1102450636.db2.gz GOZNFVFIFURTPF-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP CCN(CC[NH2+]Cc1cnc(Cl)s1)C(=O)Cc1[nH]c[nH+]c1C ZINC001497490781 1102573533 /nfs/dbraw/zinc/57/35/33/1102573533.db2.gz JAHVPKFAYIVLES-UHFFFAOYSA-N 2 2 341.868 2.009 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001497614499 1102753003 /nfs/dbraw/zinc/75/30/03/1102753003.db2.gz JLHOTDJFVCDXJJ-IYKSTZQJSA-N 2 2 334.464 2.044 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC001497614499 1102753016 /nfs/dbraw/zinc/75/30/16/1102753016.db2.gz JLHOTDJFVCDXJJ-IYKSTZQJSA-N 2 2 334.464 2.044 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]Cc1cccc(C(F)F)c1 ZINC001497685122 1102901006 /nfs/dbraw/zinc/90/10/06/1102901006.db2.gz ISOQYXDAIFTXSZ-UPHRSURJSA-N 2 2 334.370 2.352 10 0 EEAELP CC(C)C[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cscn1)n1cc[nH+]c1 ZINC001497832757 1103164376 /nfs/dbraw/zinc/16/43/76/1103164376.db2.gz VRCBMRQBPLCVJY-HIFRSBDPSA-N 2 2 335.477 2.221 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001447808234 1103370399 /nfs/dbraw/zinc/37/03/99/1103370399.db2.gz SNZVHWISSAURGU-UHFFFAOYSA-N 2 2 344.503 2.417 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH+](C)Cc1ccn(C)n1 ZINC001448042050 1103876339 /nfs/dbraw/zinc/87/63/39/1103876339.db2.gz FFYMEYVMBQZIDE-HNNXBMFYSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[NH+](C)Cc1ccn(C)n1 ZINC001448042050 1103876350 /nfs/dbraw/zinc/87/63/50/1103876350.db2.gz FFYMEYVMBQZIDE-HNNXBMFYSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)[NH+](C)C1CCCC1)[N@H+](C)Cc1ccn(C)n1 ZINC001448042050 1103876372 /nfs/dbraw/zinc/87/63/72/1103876372.db2.gz FFYMEYVMBQZIDE-HNNXBMFYSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)[NH+](C)C1CCCC1)[N@@H+](C)Cc1ccn(C)n1 ZINC001448042050 1103876379 /nfs/dbraw/zinc/87/63/79/1103876379.db2.gz FFYMEYVMBQZIDE-HNNXBMFYSA-N 2 2 349.523 2.010 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001448046923 1103888552 /nfs/dbraw/zinc/88/85/52/1103888552.db2.gz OANKLDBZKYYFGR-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001448046923 1103888562 /nfs/dbraw/zinc/88/85/62/1103888562.db2.gz OANKLDBZKYYFGR-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP CCc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001498053407 1106846854 /nfs/dbraw/zinc/84/68/54/1106846854.db2.gz LXCBXMNLHCSSQY-WMLDXEAASA-N 2 2 348.491 2.238 10 0 EEAELP CCc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001498053407 1106846862 /nfs/dbraw/zinc/84/68/62/1106846862.db2.gz LXCBXMNLHCSSQY-WMLDXEAASA-N 2 2 348.491 2.238 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001498063105 1106869468 /nfs/dbraw/zinc/86/94/68/1106869468.db2.gz XUKYIZQCIWTPHM-VSLUYMRVSA-N 2 2 338.455 2.253 10 0 EEAELP O=C(NCCC[C@@H]1CCC[N@H+]1CCCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC001480824286 1107197822 /nfs/dbraw/zinc/19/78/22/1107197822.db2.gz PPDBVEFTOSEEIV-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NCCC[C@@H]1CCC[N@@H+]1CCCF)[C@@H]1CCn2cc[nH+]c2C1 ZINC001480824286 1107197828 /nfs/dbraw/zinc/19/78/28/1107197828.db2.gz PPDBVEFTOSEEIV-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC001498465499 1107584399 /nfs/dbraw/zinc/58/43/99/1107584399.db2.gz INHMVDDAXSQUTF-AWEZNQCLSA-N 2 2 334.851 2.482 10 0 EEAELP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC001498465499 1107584405 /nfs/dbraw/zinc/58/44/05/1107584405.db2.gz INHMVDDAXSQUTF-AWEZNQCLSA-N 2 2 334.851 2.482 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001498837755 1108195652 /nfs/dbraw/zinc/19/56/52/1108195652.db2.gz QJHGRUFJMOHNCG-KSSFIOAISA-N 2 2 326.444 2.273 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001498837755 1108195655 /nfs/dbraw/zinc/19/56/55/1108195655.db2.gz QJHGRUFJMOHNCG-KSSFIOAISA-N 2 2 326.444 2.273 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001493603658 1108389166 /nfs/dbraw/zinc/38/91/66/1108389166.db2.gz PHTRLHVVSXNRPD-INIZCTEOSA-N 2 2 344.434 2.141 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC001463928378 1110383533 /nfs/dbraw/zinc/38/35/33/1110383533.db2.gz ATAZTJWXPOMTHH-IRXDYDNUSA-N 2 2 330.476 2.418 10 0 EEAELP C[C@H]1CCCC[C@H]1OCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001479322445 1110681298 /nfs/dbraw/zinc/68/12/98/1110681298.db2.gz OWJXEEHYFQEYQJ-LISAXSMJSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1)c1ccccc1F ZINC001499300113 1112224532 /nfs/dbraw/zinc/22/45/32/1112224532.db2.gz ZMXXHVGPUUVMQE-CQSZACIVSA-N 2 2 344.434 2.491 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001500151481 1112639618 /nfs/dbraw/zinc/63/96/18/1112639618.db2.gz FYTXNEDHMUCXBE-CVEARBPZSA-N 2 2 336.455 2.466 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001500151481 1112639619 /nfs/dbraw/zinc/63/96/19/1112639619.db2.gz FYTXNEDHMUCXBE-CVEARBPZSA-N 2 2 336.455 2.466 10 0 EEAELP CC[C@@H](C)C[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001501780381 1113474129 /nfs/dbraw/zinc/47/41/29/1113474129.db2.gz TVPPKEVWKPBRDT-IAGOWNOFSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001501780381 1113474130 /nfs/dbraw/zinc/47/41/30/1113474130.db2.gz TVPPKEVWKPBRDT-IAGOWNOFSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001501831882 1113487963 /nfs/dbraw/zinc/48/79/63/1113487963.db2.gz RPSIKZJVVGCAKY-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001501831882 1113487965 /nfs/dbraw/zinc/48/79/65/1113487965.db2.gz RPSIKZJVVGCAKY-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)Cc1ccncc1Cl ZINC001502355410 1113643024 /nfs/dbraw/zinc/64/30/24/1113643024.db2.gz UNLKWSNGJJXWHJ-UHFFFAOYSA-N 2 2 349.866 2.220 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)Cc1ccncc1Cl ZINC001502355410 1113643028 /nfs/dbraw/zinc/64/30/28/1113643028.db2.gz UNLKWSNGJJXWHJ-UHFFFAOYSA-N 2 2 349.866 2.220 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001505739863 1114161628 /nfs/dbraw/zinc/16/16/28/1114161628.db2.gz TURNEEXIBRPJKM-BDAKNGLRSA-N 2 2 341.868 2.054 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(C(F)F)c1 ZINC001507164144 1115143003 /nfs/dbraw/zinc/14/30/03/1115143003.db2.gz POWDBENIALRNQC-CYBMUJFWSA-N 2 2 336.386 2.457 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001507325216 1115193601 /nfs/dbraw/zinc/19/36/01/1115193601.db2.gz OXCAOIIVVGHQEH-HOTGVXAUSA-N 2 2 342.443 2.000 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1ccns1)C(=O)C1CC[NH+](C)CC1 ZINC001507831087 1115354588 /nfs/dbraw/zinc/35/45/88/1115354588.db2.gz ATRXMDPXBHVPRW-UHFFFAOYSA-N 2 2 338.521 2.154 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1ccns1)C(=O)C1CC[NH+](C)CC1 ZINC001507831087 1115354589 /nfs/dbraw/zinc/35/45/89/1115354589.db2.gz ATRXMDPXBHVPRW-UHFFFAOYSA-N 2 2 338.521 2.154 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001507963035 1115381216 /nfs/dbraw/zinc/38/12/16/1115381216.db2.gz DYMHXBBSOBHCAC-ZVSVUTOMSA-N 2 2 338.883 2.319 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567913761 1124175194 /nfs/dbraw/zinc/17/51/94/1124175194.db2.gz IQJBGWWNPFYCLM-FDRQBBGKSA-N 2 2 330.476 2.335 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567913761 1124175196 /nfs/dbraw/zinc/17/51/96/1124175196.db2.gz IQJBGWWNPFYCLM-FDRQBBGKSA-N 2 2 330.476 2.335 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001567914685 1124176002 /nfs/dbraw/zinc/17/60/02/1124176002.db2.gz XAKVFULBNKVXSX-LSDHHAIUSA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001567914685 1124176006 /nfs/dbraw/zinc/17/60/06/1124176006.db2.gz XAKVFULBNKVXSX-LSDHHAIUSA-N 2 2 338.883 2.108 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC(CC[NH2+]CCc2ccccc2)CC1 ZINC001568099385 1124302822 /nfs/dbraw/zinc/30/28/22/1124302822.db2.gz KZUUSYQOTCIDSE-UHFFFAOYSA-N 2 2 340.471 2.344 10 0 EEAELP COCCC[NH2+][C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001568451229 1124516633 /nfs/dbraw/zinc/51/66/33/1124516633.db2.gz KXOGAMBVKKGXON-INIZCTEOSA-N 2 2 332.448 2.023 10 0 EEAELP CC(C)c1cccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2c[nH+]cn2C)n1 ZINC001568699202 1124714269 /nfs/dbraw/zinc/71/42/69/1124714269.db2.gz NZOKFPAJAWEGFL-OAHLLOKOSA-N 2 2 343.475 2.166 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001568940679 1124973348 /nfs/dbraw/zinc/97/33/48/1124973348.db2.gz YUCXKOQFHDZBPZ-OWOJBTEDSA-N 2 2 334.370 2.352 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]Cc3cscn3)ccn12 ZINC001569203208 1125161936 /nfs/dbraw/zinc/16/19/36/1125161936.db2.gz PRLZFUCMNHYTKB-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001569216034 1125171643 /nfs/dbraw/zinc/17/16/43/1125171643.db2.gz BQPDURSQDLDMJQ-SFHVURJKSA-N 2 2 340.471 2.126 10 0 EEAELP C[NH2+]Cc1ccccc1NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000415895469 530010284 /nfs/dbraw/zinc/01/02/84/530010284.db2.gz BCHIDDCIBNMACS-UHFFFAOYSA-N 2 2 339.443 2.464 10 0 EEAELP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nccn1CC(F)(F)F ZINC000422719583 240190248 /nfs/dbraw/zinc/19/02/48/240190248.db2.gz YWBGWSAOCJEECX-TZMCWYRMSA-N 2 2 326.366 2.494 10 0 EEAELP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000422719583 240190251 /nfs/dbraw/zinc/19/02/51/240190251.db2.gz YWBGWSAOCJEECX-TZMCWYRMSA-N 2 2 326.366 2.494 10 0 EEAELP O=C(Nc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1)C1CCC1 ZINC000422809588 240237304 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MCQNGYOVRMJHNN-QLFBSQMISA-N 2 2 327.432 2.145 10 0 EEAELP C[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249744436 160384962 /nfs/dbraw/zinc/38/49/62/160384962.db2.gz MCQNGYOVRMJHNN-QLFBSQMISA-N 2 2 327.432 2.145 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)cn21 ZINC000069405233 159028282 /nfs/dbraw/zinc/02/82/82/159028282.db2.gz QSNGIPFAESGKIF-OAHLLOKOSA-N 2 2 331.464 2.418 10 0 EEAELP c1nc(-c2ccccn2)sc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665527 159237641 /nfs/dbraw/zinc/23/76/41/159237641.db2.gz XUJZXSQLOINCTC-OAHLLOKOSA-N 2 2 344.484 2.359 10 0 EEAELP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000093665527 159237642 /nfs/dbraw/zinc/23/76/42/159237642.db2.gz XUJZXSQLOINCTC-OAHLLOKOSA-N 2 2 344.484 2.359 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000184229398 160004097 /nfs/dbraw/zinc/00/40/97/160004097.db2.gz DTQXQPUWJCFYTM-LJQANCHMSA-N 2 2 338.455 2.423 10 0 EEAELP 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327.222 2.265 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000416863526 313340209 /nfs/dbraw/zinc/34/02/09/313340209.db2.gz ZYALGMNDBVDQED-ZFWWWQNUSA-N 2 2 329.448 2.032 10 0 EEAELP CCc1[nH+]c2cc(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])ccc2n1C1CC1 ZINC000418161193 313730337 /nfs/dbraw/zinc/73/03/37/313730337.db2.gz SSHALADAYJPMOO-VXGBXAGGSA-N 2 2 329.448 2.469 10 0 EEAELP Cc1cc(CNC(=O)N(CC[NH3+])CCc2ccccc2)cc(C)[nH+]1 ZINC000422613090 314295642 /nfs/dbraw/zinc/29/56/42/314295642.db2.gz WDANUBGLDLGJBH-UHFFFAOYSA-N 2 2 326.444 2.411 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[NH+](C)C)c(C)c1 ZINC000442241784 315197081 /nfs/dbraw/zinc/19/70/81/315197081.db2.gz MEWFMJJBMPJFDJ-GOSISDBHSA-N 2 2 343.475 2.444 10 0 EEAELP Cc1cc(N(C)S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc[nH+]1 ZINC000443044407 315225205 /nfs/dbraw/zinc/22/52/05/315225205.db2.gz HDCXHLQVPBZYTE-UHFFFAOYSA-N 2 2 342.424 2.460 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1 ZINC000525863477 317084593 /nfs/dbraw/zinc/08/45/93/317084593.db2.gz CDKPRDAPZSRAJJ-RHSMWYFYSA-N 2 2 344.434 2.444 10 0 EEAELP C[N@H+](CCCO)C1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000527324206 317184931 /nfs/dbraw/zinc/18/49/31/317184931.db2.gz WGTNOMOZIJESSQ-UHFFFAOYSA-N 2 2 342.487 2.210 10 0 EEAELP C[N@@H+](CCCO)C1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000527324206 317184937 /nfs/dbraw/zinc/18/49/37/317184937.db2.gz WGTNOMOZIJESSQ-UHFFFAOYSA-N 2 2 342.487 2.210 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015816 317303570 /nfs/dbraw/zinc/30/35/70/317303570.db2.gz YYOCZCWELDAMLH-CZUORRHYSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015816 317303573 /nfs/dbraw/zinc/30/35/73/317303573.db2.gz YYOCZCWELDAMLH-CZUORRHYSA-N 2 2 337.489 2.002 10 0 EEAELP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000529291027 317566575 /nfs/dbraw/zinc/56/65/75/317566575.db2.gz WTPPDRDWPLDXCO-AWEZNQCLSA-N 2 2 335.839 2.127 10 0 EEAELP CC[NH+]1CCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000546654567 318258614 /nfs/dbraw/zinc/25/86/14/318258614.db2.gz KPPHDVAVPGCAJB-CQSZACIVSA-N 2 2 327.432 2.041 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000547763818 318320312 /nfs/dbraw/zinc/32/03/12/318320312.db2.gz QLMXSVDDAJAZBH-UONOGXRCSA-N 2 2 327.432 2.452 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000564453522 319086311 /nfs/dbraw/zinc/08/63/11/319086311.db2.gz LYEQVNBNLHBDPR-LIRRHRJNSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000564453522 319086312 /nfs/dbraw/zinc/08/63/12/319086312.db2.gz LYEQVNBNLHBDPR-LIRRHRJNSA-N 2 2 347.459 2.106 10 0 EEAELP [NH3+]CC12CCC(CC1)CN2C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000565148282 319153073 /nfs/dbraw/zinc/15/30/73/319153073.db2.gz CQOCGGPSWHZYQR-UHFFFAOYSA-N 2 2 338.455 2.204 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)c1 ZINC000566438274 319287372 /nfs/dbraw/zinc/28/73/72/319287372.db2.gz YQJKYQHLSRDRFO-MRXNPFEDSA-N 2 2 345.487 2.242 10 0 EEAELP [NH3+]C1(CNC(=O)NCCCCn2cc[nH+]c2)C2CC3CC(C2)CC1C3 ZINC000574546768 320035549 /nfs/dbraw/zinc/03/55/49/320035549.db2.gz QPDAVWVRODYXNW-UHFFFAOYSA-N 2 2 345.491 2.116 10 0 EEAELP CSC[C@@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000581365383 324238168 /nfs/dbraw/zinc/23/81/68/324238168.db2.gz QSOYMVMDSCNAJE-BPCQOVAHSA-N 2 2 326.428 2.105 10 0 EEAELP CCOCc1cc(C[NH+]2CCC([NH2+]CCOC)CC2)ccc1OC ZINC000581610827 324289617 /nfs/dbraw/zinc/28/96/17/324289617.db2.gz DMSXJQGTDJSQMQ-UHFFFAOYSA-N 2 2 336.476 2.432 10 0 EEAELP Cc1cc(C)n2c(C[NH2+][C@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cnc2n1 ZINC000328628851 465078937 /nfs/dbraw/zinc/07/89/37/465078937.db2.gz HQRMUNNUNRXBIQ-WMLDXEAASA-N 2 2 340.431 2.090 10 0 EEAELP CCC1(CC)[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[C@@H]1OC ZINC000341332819 465115826 /nfs/dbraw/zinc/11/58/26/465115826.db2.gz WWTJLIMCLFKTRB-XHSDSOJGSA-N 2 2 348.491 2.094 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000127707177 462576175 /nfs/dbraw/zinc/57/61/75/462576175.db2.gz KSCHVNVRVVVCFB-MAUKXSAKSA-N 2 2 326.444 2.486 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000127707177 462576179 /nfs/dbraw/zinc/57/61/79/462576179.db2.gz KSCHVNVRVVVCFB-MAUKXSAKSA-N 2 2 326.444 2.486 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127744554 462578772 /nfs/dbraw/zinc/57/87/72/462578772.db2.gz PUGZNEWCQHDDBA-UHFFFAOYSA-N 2 2 345.487 2.214 10 0 EEAELP CCOCC[N@@H+]1CCN(c2cc(NCC3CC3)[nH+]cn2)C[C@@H]1CC ZINC000119535675 462910239 /nfs/dbraw/zinc/91/02/39/462910239.db2.gz YFEFZHJQFQBJPF-INIZCTEOSA-N 2 2 333.480 2.236 10 0 EEAELP CCOCC[N@H+]1CCN(c2cc(NCC3CC3)[nH+]cn2)C[C@@H]1CC ZINC000119535675 462910245 /nfs/dbraw/zinc/91/02/45/462910245.db2.gz YFEFZHJQFQBJPF-INIZCTEOSA-N 2 2 333.480 2.236 10 0 EEAELP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000133944686 462987071 /nfs/dbraw/zinc/98/70/71/462987071.db2.gz RNOZZADBVYWBKJ-CABCVRRESA-N 2 2 342.846 2.085 10 0 EEAELP CCCC[C@H](NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OC ZINC000135232006 463131421 /nfs/dbraw/zinc/13/14/21/463131421.db2.gz JFCIATNFPMYSQG-KRWDZBQOSA-N 2 2 339.524 2.258 10 0 EEAELP CCCC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(=O)OC ZINC000135232006 463131427 /nfs/dbraw/zinc/13/14/27/463131427.db2.gz JFCIATNFPMYSQG-KRWDZBQOSA-N 2 2 339.524 2.258 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000071877042 463450927 /nfs/dbraw/zinc/45/09/27/463450927.db2.gz IBOAVJUTIVVKNC-MSOLQXFVSA-N 2 2 334.508 2.267 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000071877042 463450930 /nfs/dbraw/zinc/45/09/30/463450930.db2.gz IBOAVJUTIVVKNC-MSOLQXFVSA-N 2 2 334.508 2.267 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC000105922614 463497145 /nfs/dbraw/zinc/49/71/45/463497145.db2.gz IWZASEPGOKTLCC-AWEZNQCLSA-N 2 2 330.436 2.061 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)n[nH]c2C)C1 ZINC000105922614 463497149 /nfs/dbraw/zinc/49/71/49/463497149.db2.gz IWZASEPGOKTLCC-AWEZNQCLSA-N 2 2 330.436 2.061 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000083844107 463564465 /nfs/dbraw/zinc/56/44/65/463564465.db2.gz ZNWYLSMBDOLYLH-MRXNPFEDSA-N 2 2 342.443 2.017 10 0 EEAELP COc1c(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)c(C)nn1C ZINC000058428851 463598134 /nfs/dbraw/zinc/59/81/34/463598134.db2.gz KVFQGPBLQOGGHU-UHFFFAOYSA-N 2 2 325.416 2.272 10 0 EEAELP C[C@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000152160574 463654574 /nfs/dbraw/zinc/65/45/74/463654574.db2.gz WNNUKZOOCLUDFL-GOEBONIOSA-N 2 2 342.447 2.137 10 0 EEAELP CCCCc1noc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000152287015 463671620 /nfs/dbraw/zinc/67/16/20/463671620.db2.gz YXJYRVJBWUPTEZ-INIZCTEOSA-N 2 2 335.496 2.014 10 0 EEAELP CCCCc1noc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000152287015 463671626 /nfs/dbraw/zinc/67/16/26/463671626.db2.gz YXJYRVJBWUPTEZ-INIZCTEOSA-N 2 2 335.496 2.014 10 0 EEAELP Cc1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cnn1C ZINC000277048411 463856284 /nfs/dbraw/zinc/85/62/84/463856284.db2.gz QBZBKJMWKMQSHJ-IBGZPJMESA-N 2 2 328.460 2.109 10 0 EEAELP Cc1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cnn1C ZINC000277048411 463856291 /nfs/dbraw/zinc/85/62/91/463856291.db2.gz QBZBKJMWKMQSHJ-IBGZPJMESA-N 2 2 328.460 2.109 10 0 EEAELP Cc1nc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000262111820 463948837 /nfs/dbraw/zinc/94/88/37/463948837.db2.gz KLYGJHPYJYXDKW-OAHLLOKOSA-N 2 2 331.489 2.329 10 0 EEAELP CN(c1cc[nH+]c(C2CC2)n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000171986726 463962782 /nfs/dbraw/zinc/96/27/82/463962782.db2.gz MHCVMGHQGRQLBH-UHFFFAOYSA-N 2 2 326.448 2.151 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000178755610 463963571 /nfs/dbraw/zinc/96/35/71/463963571.db2.gz MBOLTEDKXFWUFI-MRXNPFEDSA-N 2 2 337.427 2.066 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCn1cnc2ccccc2c1=O ZINC000178755610 463963575 /nfs/dbraw/zinc/96/35/75/463963575.db2.gz MBOLTEDKXFWUFI-MRXNPFEDSA-N 2 2 337.427 2.066 10 0 EEAELP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000172186889 464011681 /nfs/dbraw/zinc/01/16/81/464011681.db2.gz TWSCXIJZLAIIFM-HNNXBMFYSA-N 2 2 336.524 2.423 10 0 EEAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000279145502 464043549 /nfs/dbraw/zinc/04/35/49/464043549.db2.gz GRZOXNHWEWLTGP-ULQDDVLXSA-N 2 2 330.476 2.017 10 0 EEAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000279145502 464043551 /nfs/dbraw/zinc/04/35/51/464043551.db2.gz GRZOXNHWEWLTGP-ULQDDVLXSA-N 2 2 330.476 2.017 10 0 EEAELP Cc1ncsc1CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000172535649 464100917 /nfs/dbraw/zinc/10/09/17/464100917.db2.gz LKLKTBWGDVNDBK-UHFFFAOYSA-N 2 2 333.505 2.287 10 0 EEAELP Cc1ncsc1CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000172535649 464100919 /nfs/dbraw/zinc/10/09/19/464100919.db2.gz LKLKTBWGDVNDBK-UHFFFAOYSA-N 2 2 333.505 2.287 10 0 EEAELP Cc1ccc([C@H](C)CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000175790276 464626263 /nfs/dbraw/zinc/62/62/63/464626263.db2.gz KJTCUONUPAFTDH-QGZVFWFLSA-N 2 2 346.519 2.424 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000247463678 464681305 /nfs/dbraw/zinc/68/13/05/464681305.db2.gz QZVWYVNJCPTSRW-JKSUJKDBSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000247463678 464681306 /nfs/dbraw/zinc/68/13/06/464681306.db2.gz QZVWYVNJCPTSRW-JKSUJKDBSA-N 2 2 335.496 2.459 10 0 EEAELP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000176136299 464705299 /nfs/dbraw/zinc/70/52/99/464705299.db2.gz XSOCCUPCEBNOLD-RTBURBONSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000176136299 464705302 /nfs/dbraw/zinc/70/53/02/464705302.db2.gz XSOCCUPCEBNOLD-RTBURBONSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176136299 464705306 /nfs/dbraw/zinc/70/53/06/464705306.db2.gz XSOCCUPCEBNOLD-RTBURBONSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000176136299 464705312 /nfs/dbraw/zinc/70/53/12/464705312.db2.gz XSOCCUPCEBNOLD-RTBURBONSA-N 2 2 345.462 2.487 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000275475130 464776348 /nfs/dbraw/zinc/77/63/48/464776348.db2.gz HYHSJUWIHKKVNT-WMZOPIPTSA-N 2 2 341.459 2.425 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(CO)o2)C1 ZINC000275482349 464776402 /nfs/dbraw/zinc/77/64/02/464776402.db2.gz BDOQNXZPQBDXQG-CQSZACIVSA-N 2 2 335.473 2.491 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(CO)o2)C1 ZINC000275482349 464776405 /nfs/dbraw/zinc/77/64/05/464776405.db2.gz BDOQNXZPQBDXQG-CQSZACIVSA-N 2 2 335.473 2.491 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(CO)o2)C1 ZINC000275482349 464776411 /nfs/dbraw/zinc/77/64/11/464776411.db2.gz BDOQNXZPQBDXQG-CQSZACIVSA-N 2 2 335.473 2.491 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000275482349 464776417 /nfs/dbraw/zinc/77/64/17/464776417.db2.gz BDOQNXZPQBDXQG-CQSZACIVSA-N 2 2 335.473 2.491 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282522134 464850871 /nfs/dbraw/zinc/85/08/71/464850871.db2.gz BGOYIUFLXJKUNV-OAHLLOKOSA-N 2 2 341.459 2.292 10 0 EEAELP Cc1nc(N2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)cc[nH+]1 ZINC000192639648 464965775 /nfs/dbraw/zinc/96/57/75/464965775.db2.gz JHJRPMNXYIYUBP-UHFFFAOYSA-N 2 2 338.455 2.475 10 0 EEAELP C[C@@H]1COc2ccccc2C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000359853650 465495709 /nfs/dbraw/zinc/49/57/09/465495709.db2.gz XAEGDRSNWYQNRO-OAHLLOKOSA-N 2 2 343.471 2.013 10 0 EEAELP C[C@@H]1COc2ccccc2C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000359853650 465495715 /nfs/dbraw/zinc/49/57/15/465495715.db2.gz XAEGDRSNWYQNRO-OAHLLOKOSA-N 2 2 343.471 2.013 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CC[NH2+][C@H](c3ccncc3)C2)CCCCC1 ZINC000337669666 465507697 /nfs/dbraw/zinc/50/76/97/465507697.db2.gz VIRKSLJNJJLNRP-KRWDZBQOSA-N 2 2 330.476 2.067 10 0 EEAELP OC[C@H]1CCCCN1c1cc(NCc2ccc3c[nH+]cn3c2)[nH+]cn1 ZINC000299151969 465625281 /nfs/dbraw/zinc/62/52/81/465625281.db2.gz YXQHJHOYQJSSCG-MRXNPFEDSA-N 2 2 338.415 2.088 10 0 EEAELP OC[C@H]1CCCCN1c1cc(NCc2ccc3c[nH+]cn3c2)nc[nH+]1 ZINC000299151969 465625291 /nfs/dbraw/zinc/62/52/91/465625291.db2.gz YXQHJHOYQJSSCG-MRXNPFEDSA-N 2 2 338.415 2.088 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000366345256 465668333 /nfs/dbraw/zinc/66/83/33/465668333.db2.gz JRUKMAYFFMOASJ-WMZOPIPTSA-N 2 2 340.427 2.335 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000366345256 465668340 /nfs/dbraw/zinc/66/83/40/465668340.db2.gz JRUKMAYFFMOASJ-WMZOPIPTSA-N 2 2 340.427 2.335 10 0 EEAELP OC[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000348642148 465724053 /nfs/dbraw/zinc/72/40/53/465724053.db2.gz NPIJBZRPVDUAKP-WOJBJXKFSA-N 2 2 325.456 2.412 10 0 EEAELP OC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000348642148 465724059 /nfs/dbraw/zinc/72/40/59/465724059.db2.gz NPIJBZRPVDUAKP-WOJBJXKFSA-N 2 2 325.456 2.412 10 0 EEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000300689576 465892483 /nfs/dbraw/zinc/89/24/83/465892483.db2.gz HTFSPTXXWUIAEM-NEPJUHHUSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000300689576 465892489 /nfs/dbraw/zinc/89/24/89/465892489.db2.gz HTFSPTXXWUIAEM-NEPJUHHUSA-N 2 2 333.259 2.417 10 0 EEAELP C[NH+](C)CCN(Cc1[nH+]ccn1Cc1ccccc1)C[C@@H]1CCCO1 ZINC000349058912 465943000 /nfs/dbraw/zinc/94/30/00/465943000.db2.gz ADBXWRDGRSRLST-IBGZPJMESA-N 2 2 342.487 2.474 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000340463135 466108856 /nfs/dbraw/zinc/10/88/56/466108856.db2.gz NXSFCXXADLKGIK-MJGOQNOKSA-N 2 2 343.475 2.492 10 0 EEAELP COc1cc2c(cc1F)ncnc2NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000302541413 466151340 /nfs/dbraw/zinc/15/13/40/466151340.db2.gz FVQQICTXOVIBLJ-UHFFFAOYSA-N 2 2 347.438 2.215 10 0 EEAELP C[C@H]1CCC[C@@](CNc2cc(N3CCOCC3)[nH+]cn2)([NH+](C)C)C1 ZINC000302881153 466204790 /nfs/dbraw/zinc/20/47/90/466204790.db2.gz HUYNVBMTIDCHEL-MAUKXSAKSA-N 2 2 333.480 2.236 10 0 EEAELP CO[C@H](C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1)c1ccccc1 ZINC000338545920 466211665 /nfs/dbraw/zinc/21/16/65/466211665.db2.gz DIINAVYTUSWXAS-QGZVFWFLSA-N 2 2 341.459 2.052 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347012920 466319048 /nfs/dbraw/zinc/31/90/48/466319048.db2.gz ONULEZWYQKNECQ-OAHLLOKOSA-N 2 2 326.444 2.294 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347012920 466319054 /nfs/dbraw/zinc/31/90/54/466319054.db2.gz ONULEZWYQKNECQ-OAHLLOKOSA-N 2 2 326.444 2.294 10 0 EEAELP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncccn1 ZINC000361824933 466325092 /nfs/dbraw/zinc/32/50/92/466325092.db2.gz IFYQHXVSNKHNSK-UHFFFAOYSA-N 3 2 331.508 2.105 10 0 EEAELP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ncccn1 ZINC000361824933 466325100 /nfs/dbraw/zinc/32/51/00/466325100.db2.gz IFYQHXVSNKHNSK-UHFFFAOYSA-N 3 2 331.508 2.105 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000358008101 466382495 /nfs/dbraw/zinc/38/24/95/466382495.db2.gz AWIOPQLWVJBRFX-RDTXWAMCSA-N 2 2 327.428 2.249 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000358008101 466382502 /nfs/dbraw/zinc/38/25/02/466382502.db2.gz AWIOPQLWVJBRFX-RDTXWAMCSA-N 2 2 327.428 2.249 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000367623593 466457231 /nfs/dbraw/zinc/45/72/31/466457231.db2.gz PVJQDUMRTCSULZ-MOPGFXCFSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000367623593 466457235 /nfs/dbraw/zinc/45/72/35/466457235.db2.gz PVJQDUMRTCSULZ-MOPGFXCFSA-N 2 2 331.504 2.304 10 0 EEAELP Cc1csc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc(=O)n12 ZINC000321118109 466616656 /nfs/dbraw/zinc/61/66/56/466616656.db2.gz CCONOZRLHVMIEU-DZGCQCFKSA-N 2 2 332.473 2.028 10 0 EEAELP Cc1csc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc(=O)n12 ZINC000321118109 466616661 /nfs/dbraw/zinc/61/66/61/466616661.db2.gz CCONOZRLHVMIEU-DZGCQCFKSA-N 2 2 332.473 2.028 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)CC2 ZINC000374647260 466704396 /nfs/dbraw/zinc/70/43/96/466704396.db2.gz NGFANQLGFAJDPE-INIZCTEOSA-N 2 2 333.480 2.227 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H](C)[NH3+] ZINC000423913201 466906097 /nfs/dbraw/zinc/90/60/97/466906097.db2.gz JITLOPQEHMXNIJ-SUMWQHHRSA-N 2 2 337.895 2.434 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H](C)[NH3+] ZINC000423913201 466906100 /nfs/dbraw/zinc/90/61/00/466906100.db2.gz JITLOPQEHMXNIJ-SUMWQHHRSA-N 2 2 337.895 2.434 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000373782904 466919520 /nfs/dbraw/zinc/91/95/20/466919520.db2.gz NPGPYYLFYMAMNB-NZSAHSFTSA-N 2 2 342.487 2.010 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000373782904 466919524 /nfs/dbraw/zinc/91/95/24/466919524.db2.gz NPGPYYLFYMAMNB-NZSAHSFTSA-N 2 2 342.487 2.010 10 0 EEAELP CN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000418748497 467154702 /nfs/dbraw/zinc/15/47/02/467154702.db2.gz KWCXLVKNXMWIQA-KBPBESRZSA-N 2 2 349.385 2.138 10 0 EEAELP Cc1cnc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000428302666 467221193 /nfs/dbraw/zinc/22/11/93/467221193.db2.gz FEMWQXDQJHPQFC-HRBLRVMOSA-N 2 2 329.492 2.089 10 0 EEAELP Cc1cnc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000428302666 467221194 /nfs/dbraw/zinc/22/11/94/467221194.db2.gz FEMWQXDQJHPQFC-HRBLRVMOSA-N 2 2 329.492 2.089 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000428302666 467221196 /nfs/dbraw/zinc/22/11/96/467221196.db2.gz FEMWQXDQJHPQFC-HRBLRVMOSA-N 2 2 329.492 2.089 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000428302666 467221197 /nfs/dbraw/zinc/22/11/97/467221197.db2.gz FEMWQXDQJHPQFC-HRBLRVMOSA-N 2 2 329.492 2.089 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452113818 467328135 /nfs/dbraw/zinc/32/81/35/467328135.db2.gz CTSIQPLCQJNSLZ-GJZGRUSLSA-N 2 2 342.443 2.498 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452113818 467328141 /nfs/dbraw/zinc/32/81/41/467328141.db2.gz CTSIQPLCQJNSLZ-GJZGRUSLSA-N 2 2 342.443 2.498 10 0 EEAELP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414120269 467379358 /nfs/dbraw/zinc/37/93/58/467379358.db2.gz BRALPNSLGUEBJM-HXUWFJFHSA-N 2 2 342.487 2.188 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420382375 467387109 /nfs/dbraw/zinc/38/71/09/467387109.db2.gz SCYQHGTVCNNIEV-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420382375 467387113 /nfs/dbraw/zinc/38/71/13/467387113.db2.gz SCYQHGTVCNNIEV-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP C[NH+]1CCC([N@H+](CCO)Cc2cnc(-c3ccncc3)s2)CC1 ZINC000434986384 467439958 /nfs/dbraw/zinc/43/99/58/467439958.db2.gz GYIYZNHUKBFGIK-UHFFFAOYSA-N 2 2 332.473 2.094 10 0 EEAELP C[NH+]1CCC([N@@H+](CCO)Cc2cnc(-c3ccncc3)s2)CC1 ZINC000434986384 467439962 /nfs/dbraw/zinc/43/99/62/467439962.db2.gz GYIYZNHUKBFGIK-UHFFFAOYSA-N 2 2 332.473 2.094 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@@H](NC[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088986 467487500 /nfs/dbraw/zinc/48/75/00/467487500.db2.gz WASTZGNBQDIHTN-DLBZAZTESA-N 2 2 335.492 2.241 10 0 EEAELP COc1cc(C[N@H+]2CC[C@@H](NC[C@@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088986 467487502 /nfs/dbraw/zinc/48/75/02/467487502.db2.gz WASTZGNBQDIHTN-DLBZAZTESA-N 2 2 335.492 2.241 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCCCCC[NH+]1CCCC1 ZINC000454261573 467580520 /nfs/dbraw/zinc/58/05/20/467580520.db2.gz MHBDTXQCIQWWOR-UHFFFAOYSA-N 2 2 333.480 2.213 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454368654 467588445 /nfs/dbraw/zinc/58/84/45/467588445.db2.gz PBQDOAWDGDPTSV-GASCZTMLSA-N 2 2 335.496 2.459 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454368654 467588447 /nfs/dbraw/zinc/58/84/47/467588447.db2.gz PBQDOAWDGDPTSV-GASCZTMLSA-N 2 2 335.496 2.459 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000449397546 467637795 /nfs/dbraw/zinc/63/77/95/467637795.db2.gz VNVLPKSMDUAIQA-HMXCVIKNSA-N 2 2 345.531 2.476 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCCN2CCO)CC[N@H+]1Cc1ccccc1 ZINC000449397546 467637801 /nfs/dbraw/zinc/63/78/01/467637801.db2.gz VNVLPKSMDUAIQA-HMXCVIKNSA-N 2 2 345.531 2.476 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3[C@@H](C)[C@H](C)O[C@H]3C)c2cc1C ZINC000528751464 467745644 /nfs/dbraw/zinc/74/56/44/467745644.db2.gz CVMXHXVWTCCOKK-ZAHIEGGZSA-N 2 2 331.460 2.416 10 0 EEAELP Cc1nc(N2CC[NH+](C[C@H](O)[C@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000450749490 467901634 /nfs/dbraw/zinc/90/16/34/467901634.db2.gz ZIOFSOKVLFZDDE-QAPCUYQASA-N 2 2 326.444 2.072 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518179223 468107481 /nfs/dbraw/zinc/10/74/81/468107481.db2.gz OSUDOBPFYSNXBH-IHRRRGAJSA-N 2 2 337.414 2.043 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518179223 468107484 /nfs/dbraw/zinc/10/74/84/468107484.db2.gz OSUDOBPFYSNXBH-IHRRRGAJSA-N 2 2 337.414 2.043 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000577191127 468180697 /nfs/dbraw/zinc/18/06/97/468180697.db2.gz BNGXVOGDCVDBCC-HNNXBMFYSA-N 2 2 326.444 2.926 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000577191127 468180700 /nfs/dbraw/zinc/18/07/00/468180700.db2.gz BNGXVOGDCVDBCC-HNNXBMFYSA-N 2 2 326.444 2.926 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCc3ccc(F)c(F)c3)CC2)cc[nH+]1 ZINC000490090050 468195210 /nfs/dbraw/zinc/19/52/10/468195210.db2.gz NFGMQXPWLWQIHF-UHFFFAOYSA-N 2 2 347.413 2.186 10 0 EEAELP O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000569898937 468558314 /nfs/dbraw/zinc/55/83/14/468558314.db2.gz GCLNXWAVGSMINB-LXZKKBNFSA-N 2 2 333.457 2.296 10 0 EEAELP O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000569898937 468558320 /nfs/dbraw/zinc/55/83/20/468558320.db2.gz GCLNXWAVGSMINB-LXZKKBNFSA-N 2 2 333.457 2.296 10 0 EEAELP Cc1ccn(-c2ccccc2C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000570200286 468602668 /nfs/dbraw/zinc/60/26/68/468602668.db2.gz XFBQCUVFVQZECE-MOPGFXCFSA-N 2 2 326.444 2.037 10 0 EEAELP CCOC(=O)COCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000595550441 468898826 /nfs/dbraw/zinc/89/88/26/468898826.db2.gz AULUQDCYWWNJRH-UHFFFAOYSA-N 2 2 345.443 2.397 10 0 EEAELP CCS[C@@H]1CCC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1 ZINC000596455383 469272048 /nfs/dbraw/zinc/27/20/48/469272048.db2.gz KVCULLYERJOYGM-JKSUJKDBSA-N 2 2 344.569 2.233 10 0 EEAELP CCS[C@@H]1CCC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1 ZINC000596455383 469272054 /nfs/dbraw/zinc/27/20/54/469272054.db2.gz KVCULLYERJOYGM-JKSUJKDBSA-N 2 2 344.569 2.233 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626074780 469493798 /nfs/dbraw/zinc/49/37/98/469493798.db2.gz MPTHMHLHRBCWHG-QGZVFWFLSA-N 2 2 342.487 2.006 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000626086672 469498616 /nfs/dbraw/zinc/49/86/16/469498616.db2.gz KUJGGIWYQKCVBT-SFHVURJKSA-N 2 2 348.487 2.003 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000612695085 469528722 /nfs/dbraw/zinc/52/87/22/469528722.db2.gz HNUAQFXELPYHOC-IAGOWNOFSA-N 2 2 338.455 2.263 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000612695085 469528727 /nfs/dbraw/zinc/52/87/27/469528727.db2.gz HNUAQFXELPYHOC-IAGOWNOFSA-N 2 2 338.455 2.263 10 0 EEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629512165 469569769 /nfs/dbraw/zinc/56/97/69/469569769.db2.gz BKGRJYCBZKZJGL-YYWXWVFPSA-N 2 2 344.377 2.278 10 0 EEAELP CCC(CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000617013227 469571315 /nfs/dbraw/zinc/57/13/15/469571315.db2.gz PEDKRKIBSRJTLY-IRXDYDNUSA-N 2 2 339.524 2.112 10 0 EEAELP CCC(CC)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000617013227 469571318 /nfs/dbraw/zinc/57/13/18/469571318.db2.gz PEDKRKIBSRJTLY-IRXDYDNUSA-N 2 2 339.524 2.112 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000629568104 469582569 /nfs/dbraw/zinc/58/25/69/469582569.db2.gz SHAMLPHEVMTRMR-UHFFFAOYSA-N 2 2 334.247 2.100 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000629568104 469582574 /nfs/dbraw/zinc/58/25/74/469582574.db2.gz SHAMLPHEVMTRMR-UHFFFAOYSA-N 2 2 334.247 2.100 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)cnc2n1 ZINC000629657213 469600427 /nfs/dbraw/zinc/60/04/27/469600427.db2.gz UYFWSXVQKAETJA-OCCSQVGLSA-N 2 2 341.381 2.305 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)cnc2n1 ZINC000629657213 469600433 /nfs/dbraw/zinc/60/04/33/469600433.db2.gz UYFWSXVQKAETJA-OCCSQVGLSA-N 2 2 341.381 2.305 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000623362528 469634934 /nfs/dbraw/zinc/63/49/34/469634934.db2.gz XNQUDJBIXHCQTN-IBGZPJMESA-N 2 2 331.504 2.481 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000623362528 469634940 /nfs/dbraw/zinc/63/49/40/469634940.db2.gz XNQUDJBIXHCQTN-IBGZPJMESA-N 2 2 331.504 2.481 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000629989966 469694350 /nfs/dbraw/zinc/69/43/50/469694350.db2.gz HIAKYCMXHLRION-HNNXBMFYSA-N 2 2 330.476 2.410 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000629989966 469694353 /nfs/dbraw/zinc/69/43/53/469694353.db2.gz HIAKYCMXHLRION-HNNXBMFYSA-N 2 2 330.476 2.410 10 0 EEAELP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000617763339 469796355 /nfs/dbraw/zinc/79/63/55/469796355.db2.gz NSTSVGVINSGYFP-AWEZNQCLSA-N 2 2 325.884 2.443 10 0 EEAELP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000617763339 469796357 /nfs/dbraw/zinc/79/63/57/469796357.db2.gz NSTSVGVINSGYFP-AWEZNQCLSA-N 2 2 325.884 2.443 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000617768051 469799281 /nfs/dbraw/zinc/79/92/81/469799281.db2.gz NLNOQSWAUZXZBW-UHFFFAOYSA-N 2 2 336.867 2.435 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000617768051 469799284 /nfs/dbraw/zinc/79/92/84/469799284.db2.gz NLNOQSWAUZXZBW-UHFFFAOYSA-N 2 2 336.867 2.435 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000608414666 469814543 /nfs/dbraw/zinc/81/45/43/469814543.db2.gz OCZLSAYMJGSMKL-UHFFFAOYSA-N 2 2 341.459 2.354 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@@H+]1C ZINC000608656995 469855118 /nfs/dbraw/zinc/85/51/18/469855118.db2.gz SCFNYZOQFAAKKL-QAPCUYQASA-N 2 2 330.476 2.126 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@H+]1C ZINC000608656995 469855121 /nfs/dbraw/zinc/85/51/21/469855121.db2.gz SCFNYZOQFAAKKL-QAPCUYQASA-N 2 2 330.476 2.126 10 0 EEAELP Cc1nc(NCc2ccccc2C[NH+]2CCCCCC2)nc(N)[nH+]1 ZINC000631117194 470072617 /nfs/dbraw/zinc/07/26/17/470072617.db2.gz KIGOFTAPVYBOSG-UHFFFAOYSA-N 2 2 326.448 2.172 10 0 EEAELP Cc1nc(N)nc(NCc2ccccc2C[NH+]2CCCCCC2)[nH+]1 ZINC000631117194 470072620 /nfs/dbraw/zinc/07/26/20/470072620.db2.gz KIGOFTAPVYBOSG-UHFFFAOYSA-N 2 2 326.448 2.172 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631700717 470178836 /nfs/dbraw/zinc/17/88/36/470178836.db2.gz JSBRBUFPOSSMEW-YLJYHZDGSA-N 2 2 343.515 2.480 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631700717 470178837 /nfs/dbraw/zinc/17/88/37/470178837.db2.gz JSBRBUFPOSSMEW-YLJYHZDGSA-N 2 2 343.515 2.480 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885450 470189232 /nfs/dbraw/zinc/18/92/32/470189232.db2.gz AORASHODCNHMAJ-NXHRZFHOSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885450 470189233 /nfs/dbraw/zinc/18/92/33/470189233.db2.gz AORASHODCNHMAJ-NXHRZFHOSA-N 2 2 327.472 2.428 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888307 470189641 /nfs/dbraw/zinc/18/96/41/470189641.db2.gz UZCCQVIOMZLXEK-IEBWSBKVSA-N 2 2 345.487 2.166 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888307 470189642 /nfs/dbraw/zinc/18/96/42/470189642.db2.gz UZCCQVIOMZLXEK-IEBWSBKVSA-N 2 2 345.487 2.166 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000648766108 470339641 /nfs/dbraw/zinc/33/96/41/470339641.db2.gz BYRLSQHPZVTDIW-LLVKDONJSA-N 2 2 343.353 2.472 10 0 EEAELP CSc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000648926448 470396513 /nfs/dbraw/zinc/39/65/13/470396513.db2.gz WROBKXDNYKLDPZ-HNNXBMFYSA-N 2 2 333.501 2.307 10 0 EEAELP CSc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000648926448 470396520 /nfs/dbraw/zinc/39/65/20/470396520.db2.gz WROBKXDNYKLDPZ-HNNXBMFYSA-N 2 2 333.501 2.307 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000645787186 470417498 /nfs/dbraw/zinc/41/74/98/470417498.db2.gz ZNFGDFBTHXCUNM-JKSUJKDBSA-N 2 2 337.414 2.012 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000645787186 470417504 /nfs/dbraw/zinc/41/75/04/470417504.db2.gz ZNFGDFBTHXCUNM-JKSUJKDBSA-N 2 2 337.414 2.012 10 0 EEAELP Fc1ccc2c(c1)[nH]c1nc[nH+]c(NCCC[NH+]3CCOCC3)c21 ZINC000642067930 470520437 /nfs/dbraw/zinc/52/04/37/470520437.db2.gz SKKSYHVZVJDORX-UHFFFAOYSA-N 2 2 329.379 2.384 10 0 EEAELP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102425 470526692 /nfs/dbraw/zinc/52/66/92/470526692.db2.gz JMQRVFOVMSGFNY-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102425 470526698 /nfs/dbraw/zinc/52/66/98/470526698.db2.gz JMQRVFOVMSGFNY-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269479 470587233 /nfs/dbraw/zinc/58/72/33/470587233.db2.gz GOWYMKWGQQIOPT-ZNMIVQPWSA-N 2 2 339.842 2.339 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269479 470587236 /nfs/dbraw/zinc/58/72/36/470587236.db2.gz GOWYMKWGQQIOPT-ZNMIVQPWSA-N 2 2 339.842 2.339 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000643190911 470622963 /nfs/dbraw/zinc/62/29/63/470622963.db2.gz OWSGHCDPHRHZTI-UHFFFAOYSA-N 2 2 338.371 2.103 10 0 EEAELP CC(C)Oc1ccnc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000649571186 470631006 /nfs/dbraw/zinc/63/10/06/470631006.db2.gz BPAJAVOJWRGFLO-YLJYHZDGSA-N 2 2 346.519 2.327 10 0 EEAELP CC(C)Oc1ccnc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000649571186 470631012 /nfs/dbraw/zinc/63/10/12/470631012.db2.gz BPAJAVOJWRGFLO-YLJYHZDGSA-N 2 2 346.519 2.327 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000646503498 470666348 /nfs/dbraw/zinc/66/63/48/470666348.db2.gz GNXZOFGWLIBEEZ-CJNGLKHVSA-N 2 2 343.393 2.483 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000646503498 470666353 /nfs/dbraw/zinc/66/63/53/470666353.db2.gz GNXZOFGWLIBEEZ-CJNGLKHVSA-N 2 2 343.393 2.483 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000646503499 470666777 /nfs/dbraw/zinc/66/67/77/470666777.db2.gz GNXZOFGWLIBEEZ-CZUORRHYSA-N 2 2 343.393 2.483 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000646503499 470666779 /nfs/dbraw/zinc/66/67/79/470666779.db2.gz GNXZOFGWLIBEEZ-CZUORRHYSA-N 2 2 343.393 2.483 10 0 EEAELP CCn1nc(C)c(C[N@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)c1C ZINC000639920834 470720692 /nfs/dbraw/zinc/72/06/92/470720692.db2.gz PJSRJMARVMAAEZ-LJQANCHMSA-N 2 2 344.503 2.445 10 0 EEAELP CCn1nc(C)c(C[N@@H+](C)C[C@H](O)C[NH+](C)Cc2ccccc2)c1C ZINC000639920834 470720695 /nfs/dbraw/zinc/72/06/95/470720695.db2.gz PJSRJMARVMAAEZ-LJQANCHMSA-N 2 2 344.503 2.445 10 0 EEAELP CCn1nc(C)c(C[NH+](C)C[C@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000639920834 470720698 /nfs/dbraw/zinc/72/06/98/470720698.db2.gz PJSRJMARVMAAEZ-LJQANCHMSA-N 2 2 344.503 2.445 10 0 EEAELP CCn1nc(C)c(C[NH+](C)C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000639920834 470720700 /nfs/dbraw/zinc/72/07/00/470720700.db2.gz PJSRJMARVMAAEZ-LJQANCHMSA-N 2 2 344.503 2.445 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000647530153 470923125 /nfs/dbraw/zinc/92/31/25/470923125.db2.gz WLOUJYFDWFQHPW-LEWJYISDSA-N 2 2 342.483 2.180 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000647530153 470923128 /nfs/dbraw/zinc/92/31/28/470923128.db2.gz WLOUJYFDWFQHPW-LEWJYISDSA-N 2 2 342.483 2.180 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000644548265 470979291 /nfs/dbraw/zinc/97/92/91/470979291.db2.gz XMBAPTJJQWIKJS-OLZOCXBDSA-N 2 2 332.366 2.129 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000644548265 470979293 /nfs/dbraw/zinc/97/92/93/470979293.db2.gz XMBAPTJJQWIKJS-OLZOCXBDSA-N 2 2 332.366 2.129 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644548260 470979343 /nfs/dbraw/zinc/97/93/43/470979343.db2.gz XHBNGLAWGQYQMH-CHWSQXEVSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644548260 470979346 /nfs/dbraw/zinc/97/93/46/470979346.db2.gz XHBNGLAWGQYQMH-CHWSQXEVSA-N 2 2 333.259 2.417 10 0 EEAELP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)CS2 ZINC000647801532 470988742 /nfs/dbraw/zinc/98/87/42/470988742.db2.gz XFZJYWBSBRZWON-KYJSFNMBSA-N 2 2 334.485 2.286 10 0 EEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899689 471010251 /nfs/dbraw/zinc/01/02/51/471010251.db2.gz SQKNQUFRFFAIAS-IIAWOOMASA-N 2 2 345.443 2.206 10 0 EEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899689 471010256 /nfs/dbraw/zinc/01/02/56/471010256.db2.gz SQKNQUFRFFAIAS-IIAWOOMASA-N 2 2 345.443 2.206 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCC1(c2ccccc2)CC1 ZINC000647901233 471011857 /nfs/dbraw/zinc/01/18/57/471011857.db2.gz LJALYLUVOQBJLF-MJGOQNOKSA-N 2 2 341.499 2.298 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCC1(c2ccccc2)CC1 ZINC000647901233 471011861 /nfs/dbraw/zinc/01/18/61/471011861.db2.gz LJALYLUVOQBJLF-MJGOQNOKSA-N 2 2 341.499 2.298 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901991 471011870 /nfs/dbraw/zinc/01/18/70/471011870.db2.gz YGADMMQVFKHALV-VDZJLULYSA-N 2 2 345.487 2.164 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901991 471011872 /nfs/dbraw/zinc/01/18/72/471011872.db2.gz YGADMMQVFKHALV-VDZJLULYSA-N 2 2 345.487 2.164 10 0 EEAELP c1cc(C[NH2+]CC2(N3CCCC3)CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000657350560 471108475 /nfs/dbraw/zinc/10/84/75/471108475.db2.gz TVDCRWXZFPINSU-UHFFFAOYSA-N 2 2 341.459 2.002 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000654658567 471117736 /nfs/dbraw/zinc/11/77/36/471117736.db2.gz NDKQUJHRMFFMAD-FZNQNYSPSA-N 2 2 341.459 2.286 10 0 EEAELP c1nn2c(c1C[NH2+]C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000657446924 471140400 /nfs/dbraw/zinc/14/04/00/471140400.db2.gz NERZFQONBXHBKD-LJQANCHMSA-N 2 2 340.471 2.210 10 0 EEAELP c1nn2c(c1C[NH2+]C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000657446924 471140407 /nfs/dbraw/zinc/14/04/07/471140407.db2.gz NERZFQONBXHBKD-LJQANCHMSA-N 2 2 340.471 2.210 10 0 EEAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2cn(C3CCC3)nn2)[C@H](c2ccccc2)C1 ZINC000657500234 471152549 /nfs/dbraw/zinc/15/25/49/471152549.db2.gz LYYAOPYLWDGVMN-APWZRJJASA-N 2 2 325.460 2.438 10 0 EEAELP C[N@H+]1C[C@@H](C[NH2+]Cc2cn(C3CCC3)nn2)[C@H](c2ccccc2)C1 ZINC000657500234 471152554 /nfs/dbraw/zinc/15/25/54/471152554.db2.gz LYYAOPYLWDGVMN-APWZRJJASA-N 2 2 325.460 2.438 10 0 EEAELP COc1c(C)c[nH+]c(CN(C)c2nc(N)[nH+]c3c2CCCC3)c1C ZINC000645144407 471153394 /nfs/dbraw/zinc/15/33/94/471153394.db2.gz QYMSDVHDRLMVBL-UHFFFAOYSA-N 2 2 327.432 2.594 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000652356549 471278517 /nfs/dbraw/zinc/27/85/17/471278517.db2.gz RNSGHPIVTHUBDE-MLGOLLRUSA-N 2 2 337.370 2.415 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2coc(-c3ccc(F)c(F)c3)n2)C[C@H]1C[NH3+] ZINC000652356549 471278518 /nfs/dbraw/zinc/27/85/18/471278518.db2.gz RNSGHPIVTHUBDE-MLGOLLRUSA-N 2 2 337.370 2.415 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000652482928 471298244 /nfs/dbraw/zinc/29/82/44/471298244.db2.gz VLKKTHQNXNLQIB-WBVHZDCISA-N 2 2 327.432 2.148 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000652482928 471298246 /nfs/dbraw/zinc/29/82/46/471298246.db2.gz VLKKTHQNXNLQIB-WBVHZDCISA-N 2 2 327.432 2.148 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000663536023 471416081 /nfs/dbraw/zinc/41/60/81/471416081.db2.gz FPHOINYDQXSJAE-GOSISDBHSA-N 2 2 332.492 2.320 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000663536023 471416084 /nfs/dbraw/zinc/41/60/84/471416084.db2.gz FPHOINYDQXSJAE-GOSISDBHSA-N 2 2 332.492 2.320 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000666508317 471427901 /nfs/dbraw/zinc/42/79/01/471427901.db2.gz KTMAOBRMUUCILR-XYJFISCASA-N 2 2 336.524 2.090 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21 ZINC000666508317 471427905 /nfs/dbraw/zinc/42/79/05/471427905.db2.gz KTMAOBRMUUCILR-XYJFISCASA-N 2 2 336.524 2.090 10 0 EEAELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658650 471433228 /nfs/dbraw/zinc/43/32/28/471433228.db2.gz FRZUDAQLFBKRQZ-ZBFHGGJFSA-N 2 2 347.425 2.205 10 0 EEAELP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658650 471433234 /nfs/dbraw/zinc/43/32/34/471433234.db2.gz FRZUDAQLFBKRQZ-ZBFHGGJFSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658650 471433239 /nfs/dbraw/zinc/43/32/39/471433239.db2.gz FRZUDAQLFBKRQZ-ZBFHGGJFSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658650 471433245 /nfs/dbraw/zinc/43/32/45/471433245.db2.gz FRZUDAQLFBKRQZ-ZBFHGGJFSA-N 2 2 347.425 2.205 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000658986990 471458105 /nfs/dbraw/zinc/45/81/05/471458105.db2.gz DELJJPIWONHPJW-MRXNPFEDSA-N 2 2 334.464 2.014 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc(C2CCC2)cs1 ZINC000667020802 471626049 /nfs/dbraw/zinc/62/60/49/471626049.db2.gz LBUGPTHJSCDNKZ-UHFFFAOYSA-N 2 2 339.509 2.416 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc(C2CCC2)cs1 ZINC000667020802 471626053 /nfs/dbraw/zinc/62/60/53/471626053.db2.gz LBUGPTHJSCDNKZ-UHFFFAOYSA-N 2 2 339.509 2.416 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659460488 471637971 /nfs/dbraw/zinc/63/79/71/471637971.db2.gz XCLVTWWKKOZNMO-KRWDZBQOSA-N 2 2 347.507 2.460 10 0 EEAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000667084304 471648784 /nfs/dbraw/zinc/64/87/84/471648784.db2.gz JXDPCAOXMLHNSV-GOEBONIOSA-N 2 2 343.431 2.082 10 0 EEAELP CC1CC[NH+](CCCCNC(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670075863 471670698 /nfs/dbraw/zinc/67/06/98/471670698.db2.gz LMINFYNHAPCDSQ-UHFFFAOYSA-N 2 2 333.480 2.203 10 0 EEAELP C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664549615 471791894 /nfs/dbraw/zinc/79/18/94/471791894.db2.gz KAGLLDRKWMVRFY-QFBILLFUSA-N 2 2 346.519 2.493 10 0 EEAELP C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664549615 471791898 /nfs/dbraw/zinc/79/18/98/471791898.db2.gz KAGLLDRKWMVRFY-QFBILLFUSA-N 2 2 346.519 2.493 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661630237 471833991 /nfs/dbraw/zinc/83/39/91/471833991.db2.gz ZEZFKKWOIBNBHU-MOROJQBDSA-N 2 2 342.443 2.352 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661630237 471833992 /nfs/dbraw/zinc/83/39/92/471833992.db2.gz ZEZFKKWOIBNBHU-MOROJQBDSA-N 2 2 342.443 2.352 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661705776 471857380 /nfs/dbraw/zinc/85/73/80/471857380.db2.gz XJQCQUPBAPKZMS-FRIZHTMISA-N 2 2 340.427 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661705776 471857384 /nfs/dbraw/zinc/85/73/84/471857384.db2.gz XJQCQUPBAPKZMS-FRIZHTMISA-N 2 2 340.427 2.372 10 0 EEAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667810475 471915961 /nfs/dbraw/zinc/91/59/61/471915961.db2.gz MHXXLOHKUSUQCI-UYAOXDASSA-N 2 2 346.471 2.055 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662012329 471956275 /nfs/dbraw/zinc/95/62/75/471956275.db2.gz PBTKHJVKFNANEV-SFHVURJKSA-N 2 2 341.459 2.368 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662012329 471956280 /nfs/dbraw/zinc/95/62/80/471956280.db2.gz PBTKHJVKFNANEV-SFHVURJKSA-N 2 2 341.459 2.368 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(Cl)c1F ZINC000665222939 471973277 /nfs/dbraw/zinc/97/32/77/471973277.db2.gz RXXMIGAJHUOSRU-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(Cl)c1F ZINC000665222939 471973279 /nfs/dbraw/zinc/97/32/79/471973279.db2.gz RXXMIGAJHUOSRU-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@H]2C[NH2+]CCO2)cc1OC ZINC000662258512 472045972 /nfs/dbraw/zinc/04/59/72/472045972.db2.gz VODCMVJDQKHQFT-QZTJIDSGSA-N 2 2 348.487 2.479 10 0 EEAELP COc1ccc(CC[C@H]2CCCC[N@H+]2C[C@H]2C[NH2+]CCO2)cc1OC ZINC000662258512 472045979 /nfs/dbraw/zinc/04/59/79/472045979.db2.gz VODCMVJDQKHQFT-QZTJIDSGSA-N 2 2 348.487 2.479 10 0 EEAELP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319621 472069129 /nfs/dbraw/zinc/06/91/29/472069129.db2.gz PAQSWTWQHGKFBP-SJORKVTESA-N 2 2 333.476 2.365 10 0 EEAELP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319621 472069134 /nfs/dbraw/zinc/06/91/34/472069134.db2.gz PAQSWTWQHGKFBP-SJORKVTESA-N 2 2 333.476 2.365 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508643 472133787 /nfs/dbraw/zinc/13/37/87/472133787.db2.gz YLVGPSFKKAQQMN-SOUVJXGZSA-N 2 2 327.831 2.339 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508643 472133791 /nfs/dbraw/zinc/13/37/91/472133791.db2.gz YLVGPSFKKAQQMN-SOUVJXGZSA-N 2 2 327.831 2.339 10 0 EEAELP [NH3+]C1(CC(=O)N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000662663775 472194004 /nfs/dbraw/zinc/19/40/04/472194004.db2.gz BLPKLWWKKSXSQQ-UHFFFAOYSA-N 2 2 341.377 2.231 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNc1nnc(Cc2ccccc2)s1 ZINC000664248247 485602206 /nfs/dbraw/zinc/60/22/06/485602206.db2.gz REOXTAWVZCCBIK-UHFFFAOYSA-N 2 2 333.505 2.424 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNc1nnc(Cc2ccccc2)s1 ZINC000664248247 485602215 /nfs/dbraw/zinc/60/22/15/485602215.db2.gz REOXTAWVZCCBIK-UHFFFAOYSA-N 2 2 333.505 2.424 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1)c1ccccc1 ZINC000684185090 485795187 /nfs/dbraw/zinc/79/51/87/485795187.db2.gz WJQUEMJSSGZFIX-SQNIBIBYSA-N 2 2 333.451 2.324 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1)c1ccccc1 ZINC000684185090 485795193 /nfs/dbraw/zinc/79/51/93/485795193.db2.gz WJQUEMJSSGZFIX-SQNIBIBYSA-N 2 2 333.451 2.324 10 0 EEAELP CC(=O)N1CCC([NH2+][C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000675921544 486097417 /nfs/dbraw/zinc/09/74/17/486097417.db2.gz YQHSSHQXXJYZLS-GOSISDBHSA-N 2 2 326.444 2.304 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000676705839 486285997 /nfs/dbraw/zinc/28/59/97/486285997.db2.gz ZEISVQHRBQGSMD-GOSISDBHSA-N 2 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000676705839 486286003 /nfs/dbraw/zinc/28/60/03/486286003.db2.gz ZEISVQHRBQGSMD-GOSISDBHSA-N 2 2 328.460 2.082 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000536050154 490618280 /nfs/dbraw/zinc/61/82/80/490618280.db2.gz OPRPADWVGIDUII-KRWDZBQOSA-N 2 2 339.443 2.485 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000536050154 490618283 /nfs/dbraw/zinc/61/82/83/490618283.db2.gz OPRPADWVGIDUII-KRWDZBQOSA-N 2 2 339.443 2.485 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363366361 527436951 /nfs/dbraw/zinc/43/69/51/527436951.db2.gz CSOQXZDRPXTHKR-ZDUSSCGKSA-N 2 2 330.436 2.140 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363366361 527436955 /nfs/dbraw/zinc/43/69/55/527436955.db2.gz CSOQXZDRPXTHKR-ZDUSSCGKSA-N 2 2 330.436 2.140 10 0 EEAELP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000460366312 535243399 /nfs/dbraw/zinc/24/33/99/535243399.db2.gz YHNHAHZNVTYMED-DLBZAZTESA-N 2 2 339.524 2.018 10 0 EEAELP CCOC1CC(O)(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000423081592 535392675 /nfs/dbraw/zinc/39/26/75/535392675.db2.gz DEHYCSNIQYMCDL-QGLXBCBXSA-N 2 2 334.460 2.008 10 0 EEAELP CN(C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1)[C@H]1CCCc2ccccc21 ZINC000422636637 535985628 /nfs/dbraw/zinc/98/56/28/535985628.db2.gz NHDOSJFZUGLDII-SFHVURJKSA-N 2 2 327.472 2.350 10 0 EEAELP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3ccc(Br)n3)C2)CC1 ZINC000767984990 577548683 /nfs/dbraw/zinc/54/86/83/577548683.db2.gz WYAGITVCMAPZDR-CYBMUJFWSA-N 2 2 327.270 2.267 10 0 EEAELP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ccc(Br)n3)C2)CC1 ZINC000767984990 577548684 /nfs/dbraw/zinc/54/86/84/577548684.db2.gz WYAGITVCMAPZDR-CYBMUJFWSA-N 2 2 327.270 2.267 10 0 EEAELP Brc1cnn(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000926415233 678510227 /nfs/dbraw/zinc/51/02/27/678510227.db2.gz QGBJESZDKZKDGK-ZIAGYGMSSA-N 2 2 327.270 2.252 10 0 EEAELP Brc1cnn(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000926415233 678510229 /nfs/dbraw/zinc/51/02/29/678510229.db2.gz QGBJESZDKZKDGK-ZIAGYGMSSA-N 2 2 327.270 2.252 10 0 EEAELP CC(C)c1c[nH]c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000894777874 683086685 /nfs/dbraw/zinc/08/66/85/683086685.db2.gz UPALDMVINOAMOG-SJPCQFCGSA-N 2 2 331.508 2.276 10 0 EEAELP CC(C)c1c[nH]c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000894777874 683086689 /nfs/dbraw/zinc/08/66/89/683086689.db2.gz UPALDMVINOAMOG-SJPCQFCGSA-N 2 2 331.508 2.276 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c[nH+]1 ZINC000895424188 684598864 /nfs/dbraw/zinc/59/88/64/684598864.db2.gz QIJYYXHWSLMKSW-HNNXBMFYSA-N 2 2 330.432 2.473 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899047080 693583688 /nfs/dbraw/zinc/58/36/88/693583688.db2.gz JQRTVSZZTIQLGT-JTQLQIEISA-N 2 2 346.822 2.252 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899047080 693583691 /nfs/dbraw/zinc/58/36/91/693583691.db2.gz JQRTVSZZTIQLGT-JTQLQIEISA-N 2 2 346.822 2.252 10 0 EEAELP CCc1nc(C)c(C[N@H+](C)CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001480879639 1176679247 /nfs/dbraw/zinc/67/92/47/1176679247.db2.gz MDFNNZNIBFBDBA-HZPDHXFCSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1nc(C)c(C[N@@H+](C)CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001480879639 1176679252 /nfs/dbraw/zinc/67/92/52/1176679252.db2.gz MDFNNZNIBFBDBA-HZPDHXFCSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1nc(C)c(C[NH+](C)CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001480879639 1176679258 /nfs/dbraw/zinc/67/92/58/1176679258.db2.gz MDFNNZNIBFBDBA-HZPDHXFCSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1nc(C)c(C[NH+](C)CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)o1 ZINC001480879639 1176679266 /nfs/dbraw/zinc/67/92/66/1176679266.db2.gz MDFNNZNIBFBDBA-HZPDHXFCSA-N 2 2 348.491 2.110 10 0 EEAELP CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266519978 1176722265 /nfs/dbraw/zinc/72/22/65/1176722265.db2.gz COHCBBSKRPXSNH-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP CCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001266519978 1176722270 /nfs/dbraw/zinc/72/22/70/1176722270.db2.gz COHCBBSKRPXSNH-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266811191 1177469641 /nfs/dbraw/zinc/46/96/41/1177469641.db2.gz JMBDYFXFPNGUSE-NSHDSACASA-N 2 2 331.247 2.099 10 0 EEAELP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001266813546 1177472626 /nfs/dbraw/zinc/47/26/26/1177472626.db2.gz VROHCLHLZKKQFW-LJQANCHMSA-N 2 2 349.519 2.178 10 0 EEAELP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001266813546 1177472631 /nfs/dbraw/zinc/47/26/31/1177472631.db2.gz VROHCLHLZKKQFW-LJQANCHMSA-N 2 2 349.519 2.178 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1Cc1cc2ccccc2o1)C(=O)Cn1cc[nH+]c1 ZINC001691074867 1177528665 /nfs/dbraw/zinc/52/86/65/1177528665.db2.gz IVUGIVZAFWQNJJ-MRXNPFEDSA-N 2 2 338.411 2.362 10 0 EEAELP CN(C[C@H]1CC[N@H+]1Cc1cc2ccccc2o1)C(=O)Cn1cc[nH+]c1 ZINC001691074867 1177528671 /nfs/dbraw/zinc/52/86/71/1177528671.db2.gz IVUGIVZAFWQNJJ-MRXNPFEDSA-N 2 2 338.411 2.362 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691174632 1177671024 /nfs/dbraw/zinc/67/10/24/1177671024.db2.gz ACUPSMUTVYTEBX-VQHPVUNQSA-N 2 2 348.491 2.032 10 0 EEAELP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CCOCC1CC1)c1c[nH+]c[nH]1 ZINC001266881219 1177697259 /nfs/dbraw/zinc/69/72/59/1177697259.db2.gz TYDKNUQVVGFJCW-INIZCTEOSA-N 2 2 348.491 2.085 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001691369347 1177973920 /nfs/dbraw/zinc/97/39/20/1177973920.db2.gz NFQIWGKBVMGXSX-KRZKXXONSA-N 2 2 338.455 2.207 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267047572 1178147427 /nfs/dbraw/zinc/14/74/27/1178147427.db2.gz OMFLHYQHZIOYAF-AWFCHZOYSA-N 2 2 331.460 2.427 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001267298247 1178708668 /nfs/dbraw/zinc/70/86/68/1178708668.db2.gz LTZFIJDZGQGLBZ-QGZVFWFLSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001267298247 1178708672 /nfs/dbraw/zinc/70/86/72/1178708672.db2.gz LTZFIJDZGQGLBZ-QGZVFWFLSA-N 2 2 330.476 2.291 10 0 EEAELP CN(CC[NH2+]Cc1ccccc1Cl)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267394673 1178965137 /nfs/dbraw/zinc/96/51/37/1178965137.db2.gz GXLRZXOOVIOBPP-HNNXBMFYSA-N 2 2 346.862 2.347 10 0 EEAELP O=C(NCC[N@H+](Cc1ccsc1)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001481175508 1179996910 /nfs/dbraw/zinc/99/69/10/1179996910.db2.gz OKZKAXCIYPJFMP-HNNXBMFYSA-N 2 2 344.484 2.288 10 0 EEAELP O=C(NCC[N@@H+](Cc1ccsc1)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001481175508 1179996918 /nfs/dbraw/zinc/99/69/18/1179996918.db2.gz OKZKAXCIYPJFMP-HNNXBMFYSA-N 2 2 344.484 2.288 10 0 EEAELP Cc1oncc1C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001481189233 1180040213 /nfs/dbraw/zinc/04/02/13/1180040213.db2.gz FKCGBVAUPGPSSP-ZWKOTPCHSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001481189233 1180040214 /nfs/dbraw/zinc/04/02/14/1180040214.db2.gz FKCGBVAUPGPSSP-ZWKOTPCHSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001481189233 1180040215 /nfs/dbraw/zinc/04/02/15/1180040215.db2.gz FKCGBVAUPGPSSP-ZWKOTPCHSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001481189233 1180040216 /nfs/dbraw/zinc/04/02/16/1180040216.db2.gz FKCGBVAUPGPSSP-ZWKOTPCHSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1cncc(C[NH2+]CCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001267921121 1180768151 /nfs/dbraw/zinc/76/81/51/1180768151.db2.gz IJRHQQYNMNMPCM-UHFFFAOYSA-N 2 2 341.459 2.005 10 0 EEAELP CN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001481281642 1180804715 /nfs/dbraw/zinc/80/47/15/1180804715.db2.gz VWPDCXOHGFYTLG-BFHYXJOUSA-N 2 2 340.418 2.007 10 0 EEAELP CN(CC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)Cc1c[nH+]cn1C ZINC001481302290 1180963959 /nfs/dbraw/zinc/96/39/59/1180963959.db2.gz KKAGAIUGUVFDEH-UHFFFAOYSA-N 2 2 338.814 2.003 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)no1 ZINC001268158083 1181862201 /nfs/dbraw/zinc/86/22/01/1181862201.db2.gz XDBYJCUONRYFDS-QGZVFWFLSA-N 2 2 345.447 2.131 10 0 EEAELP C[C@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268377159 1182393559 /nfs/dbraw/zinc/39/35/59/1182393559.db2.gz HJHUSDUAIOIAKO-NEPJUHHUSA-N 2 2 345.274 2.249 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001481770946 1182664118 /nfs/dbraw/zinc/66/41/18/1182664118.db2.gz PEHHKPFBGSUMJB-HNNXBMFYSA-N 2 2 347.488 2.079 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001481770946 1182664125 /nfs/dbraw/zinc/66/41/25/1182664125.db2.gz PEHHKPFBGSUMJB-HNNXBMFYSA-N 2 2 347.488 2.079 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CCC(F)(F)CC1 ZINC001481885182 1182885833 /nfs/dbraw/zinc/88/58/33/1182885833.db2.gz OFMLBXLFMMQKGS-CQSZACIVSA-N 2 2 328.407 2.193 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@](C)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481947054 1183013719 /nfs/dbraw/zinc/01/37/19/1183013719.db2.gz GOOOYNJOLFLUPV-KRWDZBQOSA-N 2 2 347.488 2.100 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)no1 ZINC001268801866 1183718115 /nfs/dbraw/zinc/71/81/15/1183718115.db2.gz KCSBYBHZWWLTID-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1CC ZINC001269173995 1184030222 /nfs/dbraw/zinc/03/02/22/1184030222.db2.gz HHHWYGQJVLIHLZ-JKSUJKDBSA-N 2 2 344.459 2.201 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001269422564 1184254462 /nfs/dbraw/zinc/25/44/62/1184254462.db2.gz GQQPYFPXWQAQOX-LLVKDONJSA-N 2 2 345.274 2.165 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001269422564 1184254468 /nfs/dbraw/zinc/25/44/68/1184254468.db2.gz GQQPYFPXWQAQOX-LLVKDONJSA-N 2 2 345.274 2.165 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001482235458 1184461328 /nfs/dbraw/zinc/46/13/28/1184461328.db2.gz GINORZWVNMUBNC-UHFFFAOYSA-N 2 2 330.476 2.482 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001270137101 1184876776 /nfs/dbraw/zinc/87/67/76/1184876776.db2.gz USKNZSFPNANAMW-GOSISDBHSA-N 2 2 326.444 2.166 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482334610 1185424863 /nfs/dbraw/zinc/42/48/63/1185424863.db2.gz WPPJJDFLAKBOEP-CGTJXYLNSA-N 2 2 340.471 2.203 10 0 EEAELP Cc1oncc1C[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001482448444 1185801300 /nfs/dbraw/zinc/80/13/00/1185801300.db2.gz CNMFNIMRWNOQFU-QGZVFWFLSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1oncc1C[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001482448444 1185801306 /nfs/dbraw/zinc/80/13/06/1185801306.db2.gz CNMFNIMRWNOQFU-QGZVFWFLSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)C)o1 ZINC001482537829 1186593080 /nfs/dbraw/zinc/59/30/80/1186593080.db2.gz GXRCVUFWVJVCTO-KRWDZBQOSA-N 2 2 341.415 2.404 10 0 EEAELP CCOCC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001482659906 1187498652 /nfs/dbraw/zinc/49/86/52/1187498652.db2.gz SYKTYEDDOZUJLB-KBXCAEBGSA-N 2 2 342.443 2.136 10 0 EEAELP CCOCC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001482659906 1187498657 /nfs/dbraw/zinc/49/86/57/1187498657.db2.gz SYKTYEDDOZUJLB-KBXCAEBGSA-N 2 2 342.443 2.136 10 0 EEAELP Cc1conc1C[NH2+]CC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482831679 1187751620 /nfs/dbraw/zinc/75/16/20/1187751620.db2.gz BLQASRJCYJEKOL-ZDUSSCGKSA-N 2 2 341.415 2.237 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482933951 1187854195 /nfs/dbraw/zinc/85/41/95/1187854195.db2.gz AFNLHSJHJHQGGH-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001482955122 1187881736 /nfs/dbraw/zinc/88/17/36/1187881736.db2.gz FZWXEZHAIYIWMF-MRXNPFEDSA-N 2 2 336.480 2.184 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001482955122 1187881740 /nfs/dbraw/zinc/88/17/40/1187881740.db2.gz FZWXEZHAIYIWMF-MRXNPFEDSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1csc(C[NH2+]C/C=C\CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001483064540 1188385533 /nfs/dbraw/zinc/38/55/33/1188385533.db2.gz COXNJRCFLIHZMM-NQHOJNORSA-N 2 2 333.461 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CC(C[NH2+]Cc2ccc(CF)cc2)C1 ZINC001409270965 1188488728 /nfs/dbraw/zinc/48/87/28/1188488728.db2.gz AQTASPFEMRKPEB-UHFFFAOYSA-N 2 2 344.434 2.427 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCCCC[C@H]([NH2+]CCCO)C2)c(C)[nH+]1 ZINC001691626236 1188729854 /nfs/dbraw/zinc/72/98/54/1188729854.db2.gz XZFKLSWLEVSCLS-KRWDZBQOSA-N 2 2 333.476 2.364 10 0 EEAELP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc2nocc2C)C1 ZINC001409620528 1190111187 /nfs/dbraw/zinc/11/11/87/1190111187.db2.gz XBGXTXUPZROVDR-CVEARBPZSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc2nocc2C)C1 ZINC001409620528 1190111189 /nfs/dbraw/zinc/11/11/89/1190111189.db2.gz XBGXTXUPZROVDR-CVEARBPZSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc2nocc2C)C1 ZINC001409620528 1190111191 /nfs/dbraw/zinc/11/11/91/1190111191.db2.gz XBGXTXUPZROVDR-CVEARBPZSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc2nocc2C)C1 ZINC001409620528 1190111193 /nfs/dbraw/zinc/11/11/93/1190111193.db2.gz XBGXTXUPZROVDR-CVEARBPZSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1csc(C[NH2+][C@H](CCN(C)C(=O)Cn2cc[nH+]c2)C(C)C)n1 ZINC001409766035 1190257833 /nfs/dbraw/zinc/25/78/33/1190257833.db2.gz YLMOOWFGIBJVCL-OAHLLOKOSA-N 2 2 349.504 2.311 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)CCc2c[nH+]cn2C)cc1F ZINC001483505697 1190521382 /nfs/dbraw/zinc/52/13/82/1190521382.db2.gz CMPSKRXRQHKYHZ-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCn1cc[nH+]c1 ZINC001486117660 1193686724 /nfs/dbraw/zinc/68/67/24/1193686724.db2.gz LRVVDPOAAWGJCR-SJLPKXTDSA-N 2 2 348.491 2.059 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1cnc(C)s1)[NH+](CC)CC ZINC001483679940 1190740255 /nfs/dbraw/zinc/74/02/55/1190740255.db2.gz RUWIAIRLXIYKCX-HOCLYGCPSA-N 2 2 338.521 2.262 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1cnc(C)s1)[NH+](CC)CC ZINC001483679940 1190740259 /nfs/dbraw/zinc/74/02/59/1190740259.db2.gz RUWIAIRLXIYKCX-HOCLYGCPSA-N 2 2 338.521 2.262 10 0 EEAELP CC[C@H](F)C[NH2+]C1(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001483756298 1190979903 /nfs/dbraw/zinc/97/99/03/1190979903.db2.gz VBNXWVFYCCXOFW-HNNXBMFYSA-N 2 2 330.407 2.472 10 0 EEAELP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1CC ZINC001484324668 1191305332 /nfs/dbraw/zinc/30/53/32/1191305332.db2.gz VRJAGLNDZQPQHF-AEFFLSMTSA-N 2 2 340.471 2.475 10 0 EEAELP CO[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001484390436 1191324882 /nfs/dbraw/zinc/32/48/82/1191324882.db2.gz CVUMFLOCCLPHFL-MDMSPXHWSA-N 2 2 348.491 2.228 10 0 EEAELP CO[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001484390436 1191324884 /nfs/dbraw/zinc/32/48/84/1191324884.db2.gz CVUMFLOCCLPHFL-MDMSPXHWSA-N 2 2 348.491 2.228 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001484389125 1191328945 /nfs/dbraw/zinc/32/89/45/1191328945.db2.gz XGIHOHFJOKAXST-ACHSLPGTSA-N 2 2 349.450 2.352 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001484389125 1191328947 /nfs/dbraw/zinc/32/89/47/1191328947.db2.gz XGIHOHFJOKAXST-ACHSLPGTSA-N 2 2 349.450 2.352 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCCCC(F)(F)F)C[C@@H]2C1 ZINC001484416056 1191342082 /nfs/dbraw/zinc/34/20/82/1191342082.db2.gz ZOVZXEAJOVEQHL-OKILXGFUSA-N 2 2 344.381 2.006 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCCCC(F)(F)F)C[C@@H]2C1 ZINC001484416056 1191342084 /nfs/dbraw/zinc/34/20/84/1191342084.db2.gz ZOVZXEAJOVEQHL-OKILXGFUSA-N 2 2 344.381 2.006 10 0 EEAELP Cc1csc(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC001484550934 1191410274 /nfs/dbraw/zinc/41/02/74/1191410274.db2.gz YQYSUHQCNROXFB-CQSZACIVSA-N 2 2 347.488 2.054 10 0 EEAELP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001484812537 1191533552 /nfs/dbraw/zinc/53/35/52/1191533552.db2.gz BEIIFROCHKZPHL-INIZCTEOSA-N 2 2 330.476 2.216 10 0 EEAELP CCC1([NH2+]C[C@H](C)OC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001484816562 1191537965 /nfs/dbraw/zinc/53/79/65/1191537965.db2.gz MPFCJKPSYWTGGL-HOTGVXAUSA-N 2 2 336.480 2.230 10 0 EEAELP Cc1nc(C[NH2+]CC2CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c(C)o1 ZINC001485106166 1191656272 /nfs/dbraw/zinc/65/62/72/1191656272.db2.gz VJMRODOJCRQAEP-UWTIGNOOSA-N 2 2 345.447 2.124 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485164756 1191676202 /nfs/dbraw/zinc/67/62/02/1191676202.db2.gz UGDMYLQOGVKJDO-WDEREUQCSA-N 2 2 327.388 2.156 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001485177162 1191677579 /nfs/dbraw/zinc/67/75/79/1191677579.db2.gz NBIDDLZGVZHMFL-STQMWFEESA-N 2 2 335.839 2.005 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)CCc1[nH+]ccn1C ZINC001485256074 1191713255 /nfs/dbraw/zinc/71/32/55/1191713255.db2.gz GVVNRRXYSYATNS-VMPITWQZSA-N 2 2 326.872 2.179 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cc(C2CC2)no1 ZINC001485309352 1191727814 /nfs/dbraw/zinc/72/78/14/1191727814.db2.gz KKGURKGMVXHRCV-RDTXWAMCSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cc(C2CC2)no1 ZINC001485309352 1191727815 /nfs/dbraw/zinc/72/78/15/1191727815.db2.gz KKGURKGMVXHRCV-RDTXWAMCSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1cc(C2CC2)no1 ZINC001485309352 1191727816 /nfs/dbraw/zinc/72/78/16/1191727816.db2.gz KKGURKGMVXHRCV-RDTXWAMCSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001485309352 1191727817 /nfs/dbraw/zinc/72/78/17/1191727817.db2.gz KKGURKGMVXHRCV-RDTXWAMCSA-N 2 2 348.491 2.363 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCCCC[N@H+]1CCF ZINC001485477843 1191805348 /nfs/dbraw/zinc/80/53/48/1191805348.db2.gz YTBGZVRIIUGIKD-INIZCTEOSA-N 2 2 336.455 2.092 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCCCC[N@@H+]1CCF ZINC001485477843 1191805350 /nfs/dbraw/zinc/80/53/50/1191805350.db2.gz YTBGZVRIIUGIKD-INIZCTEOSA-N 2 2 336.455 2.092 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001486285346 1193791907 /nfs/dbraw/zinc/79/19/07/1193791907.db2.gz NTUQWJVSDOHUNO-OAHLLOKOSA-N 2 2 332.448 2.022 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)oc1C ZINC001486514639 1194034080 /nfs/dbraw/zinc/03/40/80/1194034080.db2.gz CBVZFLNZMRXLAE-GOSISDBHSA-N 2 2 348.491 2.126 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)oc1C ZINC001486514639 1194034082 /nfs/dbraw/zinc/03/40/82/1194034082.db2.gz CBVZFLNZMRXLAE-GOSISDBHSA-N 2 2 348.491 2.126 10 0 EEAELP CC(C)[C@H](C(=O)NCC1=CC[N@H+](Cc2ccc(F)cn2)CC1)[NH+](C)C ZINC001486514933 1194035124 /nfs/dbraw/zinc/03/51/24/1194035124.db2.gz MXIZBUGBYVTDNZ-GOSISDBHSA-N 2 2 348.466 2.055 10 0 EEAELP CC(C)[C@H](C(=O)NCC1=CC[N@@H+](Cc2ccc(F)cn2)CC1)[NH+](C)C ZINC001486514933 1194035129 /nfs/dbraw/zinc/03/51/29/1194035129.db2.gz MXIZBUGBYVTDNZ-GOSISDBHSA-N 2 2 348.466 2.055 10 0 EEAELP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC001486518990 1194039658 /nfs/dbraw/zinc/03/96/58/1194039658.db2.gz CWOBLUOLUOGECJ-OAHLLOKOSA-N 2 2 334.464 2.134 10 0 EEAELP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC001486518990 1194039661 /nfs/dbraw/zinc/03/96/61/1194039661.db2.gz CWOBLUOLUOGECJ-OAHLLOKOSA-N 2 2 334.464 2.134 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001486518990 1194039664 /nfs/dbraw/zinc/03/96/64/1194039664.db2.gz CWOBLUOLUOGECJ-OAHLLOKOSA-N 2 2 334.464 2.134 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@H+]([C@H](C)c2ncc(C)o2)CC1 ZINC001486518990 1194039668 /nfs/dbraw/zinc/03/96/68/1194039668.db2.gz CWOBLUOLUOGECJ-OAHLLOKOSA-N 2 2 334.464 2.134 10 0 EEAELP COCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001691690268 1197507366 /nfs/dbraw/zinc/50/73/66/1197507366.db2.gz PTMZTJOKSGCSGL-KRWDZBQOSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001273205228 1197531761 /nfs/dbraw/zinc/53/17/61/1197531761.db2.gz WSRWYGZJNJKMDY-KSSFIOAISA-N 2 2 344.459 2.270 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001410441878 1197902804 /nfs/dbraw/zinc/90/28/04/1197902804.db2.gz CHHRQMJFKHOFPN-OLZOCXBDSA-N 2 2 328.407 2.214 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2ccccc2C1 ZINC000872089084 1198042917 /nfs/dbraw/zinc/04/29/17/1198042917.db2.gz YXRLMGXOTRCCSI-OALUTQOASA-N 2 2 329.488 2.254 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2ccccc2C1 ZINC000872089084 1198042923 /nfs/dbraw/zinc/04/29/23/1198042923.db2.gz YXRLMGXOTRCCSI-OALUTQOASA-N 2 2 329.488 2.254 10 0 EEAELP CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865876375 1198411332 /nfs/dbraw/zinc/41/13/32/1198411332.db2.gz IGMJKHXGIWXONH-FUHWJXTLSA-N 2 2 336.476 2.037 10 0 EEAELP COCCN(CC1CC[NH+](C)CC1)c1nc(N)c2ccccc2[nH+]1 ZINC000865997223 1198449389 /nfs/dbraw/zinc/44/93/89/1198449389.db2.gz ZLYCANLDZGULLU-UHFFFAOYSA-N 2 2 329.448 2.007 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC001410934414 1198604049 /nfs/dbraw/zinc/60/40/49/1198604049.db2.gz ZOIGFYARZNMNQN-KSZLIROESA-N 2 2 330.476 2.290 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001411028227 1198707832 /nfs/dbraw/zinc/70/78/32/1198707832.db2.gz VTOVNKFOHGNVOF-KBPBESRZSA-N 2 2 346.397 2.156 10 0 EEAELP CC[C@@H](C)CONC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000813660173 1199133439 /nfs/dbraw/zinc/13/34/39/1199133439.db2.gz MESZMMNIVYJROM-MRXNPFEDSA-N 2 2 340.512 2.214 10 0 EEAELP CC1CC[NH+](Cc2csc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)n2)CC1 ZINC000870860662 1200917400 /nfs/dbraw/zinc/91/74/00/1200917400.db2.gz QVDDRGQPBLXFRS-IGCXYCKISA-N 2 2 334.489 2.441 10 0 EEAELP COc1ccccc1[C@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000866595361 1201557003 /nfs/dbraw/zinc/55/70/03/1201557003.db2.gz JUFOKJONXIJDSJ-KRWDZBQOSA-N 2 2 347.503 2.142 10 0 EEAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001691729011 1204241118 /nfs/dbraw/zinc/24/11/18/1204241118.db2.gz VKQJINAYNRNQLH-RDJZCZTQSA-N 2 2 345.447 2.068 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1c(C)cccc1C ZINC001274535090 1205071970 /nfs/dbraw/zinc/07/19/70/1205071970.db2.gz OQGCTEPQLQWWSL-PLNGDYQASA-N 2 2 326.444 2.340 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CCNC(=O)c2cc3c[nH+]ccc3[nH]2)co1 ZINC001274736909 1205147832 /nfs/dbraw/zinc/14/78/32/1205147832.db2.gz VBJXJURDKOJXLA-NSHDSACASA-N 2 2 327.388 2.158 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001275780645 1205524027 /nfs/dbraw/zinc/52/40/27/1205524027.db2.gz KNJOLLHSPCQLAY-UONOGXRCSA-N 2 2 346.397 2.490 10 0 EEAELP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001412129646 1205652603 /nfs/dbraw/zinc/65/26/03/1205652603.db2.gz XWMBLENXMJSMBP-VQIMIIECSA-N 2 2 345.487 2.212 10 0 EEAELP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001412129646 1205652605 /nfs/dbraw/zinc/65/26/05/1205652605.db2.gz XWMBLENXMJSMBP-VQIMIIECSA-N 2 2 345.487 2.212 10 0 EEAELP Fc1ccc([C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)N2CCOCC2)cc1 ZINC000925503628 1206120416 /nfs/dbraw/zinc/12/04/16/1206120416.db2.gz IZHRIELDQWDTIY-RTBURBONSA-N 2 2 347.478 2.463 10 0 EEAELP CSCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)c1nnc2ccccn21 ZINC000925524304 1206122942 /nfs/dbraw/zinc/12/29/42/1206122942.db2.gz RIIHKLDSVRGGBD-MELADBBJSA-N 2 2 331.489 2.383 10 0 EEAELP C[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(=O)c1ccc(O)cc1 ZINC000931076577 1206604982 /nfs/dbraw/zinc/60/49/82/1206604982.db2.gz TVUPAEDFCAPHLH-YJBOKZPZSA-N 2 2 334.460 2.254 10 0 EEAELP C[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(=O)c1ccc(O)cc1 ZINC000931076577 1206604983 /nfs/dbraw/zinc/60/49/83/1206604983.db2.gz TVUPAEDFCAPHLH-YJBOKZPZSA-N 2 2 334.460 2.254 10 0 EEAELP CC(C)(C)OC(=O)NCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287876 1206621938 /nfs/dbraw/zinc/62/19/38/1206621938.db2.gz VQHYFPFHEULCEI-UHFFFAOYSA-N 2 2 341.496 2.088 10 0 EEAELP CC(C)(C)OC(=O)NCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287876 1206621939 /nfs/dbraw/zinc/62/19/39/1206621939.db2.gz VQHYFPFHEULCEI-UHFFFAOYSA-N 2 2 341.496 2.088 10 0 EEAELP Cc1ccc(OC[C@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c(C)c1 ZINC000931513015 1207402010 /nfs/dbraw/zinc/40/20/10/1207402010.db2.gz VLYHHDZTYFXKNC-OAHLLOKOSA-N 2 2 327.428 2.079 10 0 EEAELP Cc1ccc(OC[C@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)c(C)c1 ZINC000931513015 1207402011 /nfs/dbraw/zinc/40/20/11/1207402011.db2.gz VLYHHDZTYFXKNC-OAHLLOKOSA-N 2 2 327.428 2.079 10 0 EEAELP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1C ZINC000931512717 1207402038 /nfs/dbraw/zinc/40/20/38/1207402038.db2.gz SGQWQADHXYJXKQ-MRXNPFEDSA-N 2 2 341.455 2.387 10 0 EEAELP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)c1C ZINC000931512717 1207402040 /nfs/dbraw/zinc/40/20/40/1207402040.db2.gz SGQWQADHXYJXKQ-MRXNPFEDSA-N 2 2 341.455 2.387 10 0 EEAELP CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931516842 1207402876 /nfs/dbraw/zinc/40/28/76/1207402876.db2.gz CCAYKWMELFADBA-AWEZNQCLSA-N 2 2 330.476 2.307 10 0 EEAELP CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931516842 1207402877 /nfs/dbraw/zinc/40/28/77/1207402877.db2.gz CCAYKWMELFADBA-AWEZNQCLSA-N 2 2 330.476 2.307 10 0 EEAELP Cn1cc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)c(C(F)F)n1 ZINC001413088856 1234045922 /nfs/dbraw/zinc/04/59/22/1234045922.db2.gz NEIKEVKGLZNQCM-UHFFFAOYSA-N 2 2 342.434 2.171 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903551926 1240911610 /nfs/dbraw/zinc/91/16/10/1240911610.db2.gz CNYNJVKKLXHKEE-AWEZNQCLSA-N 2 2 325.840 2.346 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000903551926 1240911616 /nfs/dbraw/zinc/91/16/16/1240911616.db2.gz CNYNJVKKLXHKEE-AWEZNQCLSA-N 2 2 325.840 2.346 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903799069 1242007370 /nfs/dbraw/zinc/00/73/70/1242007370.db2.gz QARWQMQWCQOUGP-APWZRJJASA-N 2 2 329.444 2.421 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903799069 1242007381 /nfs/dbraw/zinc/00/73/81/1242007381.db2.gz QARWQMQWCQOUGP-APWZRJJASA-N 2 2 329.444 2.421 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001490921843 1258488978 /nfs/dbraw/zinc/48/89/78/1258488978.db2.gz FJLVGVAFUBQBSG-UUUNODBKSA-N 2 2 349.519 2.223 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001490921843 1258488983 /nfs/dbraw/zinc/48/89/83/1258488983.db2.gz FJLVGVAFUBQBSG-UUUNODBKSA-N 2 2 349.519 2.223 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001491057451 1258628082 /nfs/dbraw/zinc/62/80/82/1258628082.db2.gz BITIXZFTNKJLGH-CALCHBBNSA-N 2 2 326.444 2.212 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CCOCC(C)C)ccn12 ZINC001491455010 1259098291 /nfs/dbraw/zinc/09/82/91/1259098291.db2.gz CKBFMDSVRCOGSA-CQSZACIVSA-N 2 2 332.448 2.023 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001491507315 1259158533 /nfs/dbraw/zinc/15/85/33/1259158533.db2.gz ISVCHXDRRVREPK-GJZGRUSLSA-N 2 2 344.434 2.188 10 0 EEAELP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c(C)s1 ZINC001488958932 1290294013 /nfs/dbraw/zinc/29/40/13/1290294013.db2.gz KBEBBAGJYAVKJG-UONOGXRCSA-N 2 2 347.488 2.100 10 0 EEAELP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001490410068 1291321859 /nfs/dbraw/zinc/32/18/59/1291321859.db2.gz XWFGOLQYESIWHY-SFHVURJKSA-N 2 2 348.491 2.224 10 0 EEAELP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001490410068 1291321867 /nfs/dbraw/zinc/32/18/67/1291321867.db2.gz XWFGOLQYESIWHY-SFHVURJKSA-N 2 2 348.491 2.224 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@H](C[N@H+](C)CCCF)C1 ZINC001490767839 1291707009 /nfs/dbraw/zinc/70/70/09/1291707009.db2.gz XDTVATORETXVFJ-OAHLLOKOSA-N 2 2 337.439 2.163 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@H](C[N@@H+](C)CCCF)C1 ZINC001490767839 1291707018 /nfs/dbraw/zinc/70/70/18/1291707018.db2.gz XDTVATORETXVFJ-OAHLLOKOSA-N 2 2 337.439 2.163 10 0 EEAELP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000857987348 1293980355 /nfs/dbraw/zinc/98/03/55/1293980355.db2.gz XEFWYCNBPIRVGC-NVXWUHKLSA-N 2 2 342.418 2.495 10 0 EEAELP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000857987348 1293980361 /nfs/dbraw/zinc/98/03/61/1293980361.db2.gz XEFWYCNBPIRVGC-NVXWUHKLSA-N 2 2 342.418 2.495 10 0 EEAELP CCc1cccc2[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000862171233 1295735190 /nfs/dbraw/zinc/73/51/90/1295735190.db2.gz CZKDCDVNNHRAHF-UHFFFAOYSA-N 2 2 330.476 2.344 10 0 EEAELP CCc1cccc2[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000862171233 1295735199 /nfs/dbraw/zinc/73/51/99/1295735199.db2.gz CZKDCDVNNHRAHF-UHFFFAOYSA-N 2 2 330.476 2.344 10 0 EEAELP C[C@@H](O)CCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001277893853 1305027545 /nfs/dbraw/zinc/02/75/45/1305027545.db2.gz QLJURUQREWPQHD-JKSUJKDBSA-N 2 2 344.459 2.083 10 0 EEAELP Cc1nc(CC[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC001279034255 1319053395 /nfs/dbraw/zinc/05/33/95/1319053395.db2.gz LNBAFXYKHOPQQR-HNNXBMFYSA-N 2 2 349.504 2.011 10 0 EEAELP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001264018901 1322585754 /nfs/dbraw/zinc/58/57/54/1322585754.db2.gz KOKJQKJOVYSPMH-BRWVUGGUSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]CCOC1CCC1 ZINC001264517272 1322721717 /nfs/dbraw/zinc/72/17/17/1322721717.db2.gz DJHKPLJHECHILW-NVXWUHKLSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CC[NH2+]CCC(F)(F)F ZINC001264520456 1322723646 /nfs/dbraw/zinc/72/36/46/1322723646.db2.gz LHGQFDNFJUOQMA-KBPBESRZSA-N 2 2 346.397 2.442 10 0 EEAELP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C[NH2+]CC[C@@H]2CCCO2)C1 ZINC001264552369 1322730549 /nfs/dbraw/zinc/73/05/49/1322730549.db2.gz UVNGGFBFZXCUPR-NJAFHUGGSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C[NH2+]CC[C@@H]2CCCO2)C1 ZINC001264552369 1322730554 /nfs/dbraw/zinc/73/05/54/1322730554.db2.gz UVNGGFBFZXCUPR-NJAFHUGGSA-N 2 2 348.491 2.128 10 0 EEAELP C[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CCC[C@H]1CCOC1 ZINC001265890332 1323460303 /nfs/dbraw/zinc/46/03/03/1323460303.db2.gz PBLXFGMXAYIWEP-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CCC[C@H]1CCOC1 ZINC001265890332 1323460308 /nfs/dbraw/zinc/46/03/08/1323460308.db2.gz PBLXFGMXAYIWEP-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP CC(C)OCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266006636 1323560701 /nfs/dbraw/zinc/56/07/01/1323560701.db2.gz NKCZEIRIFGPXFS-HZPDHXFCSA-N 2 2 336.480 2.127 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001280208031 1324116027 /nfs/dbraw/zinc/11/60/27/1324116027.db2.gz RFPJVWAYRKDDBP-KGLIPLIRSA-N 2 2 340.418 2.216 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)n1 ZINC001691748539 1325196356 /nfs/dbraw/zinc/19/63/56/1325196356.db2.gz RNBQBEDOLURHBT-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)n1 ZINC001691748539 1325196365 /nfs/dbraw/zinc/19/63/65/1325196365.db2.gz RNBQBEDOLURHBT-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP COCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001282676036 1325762960 /nfs/dbraw/zinc/76/29/60/1325762960.db2.gz RNYSWFDAEAUIDS-DLBZAZTESA-N 2 2 336.480 2.232 10 0 EEAELP COCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001282676036 1325762963 /nfs/dbraw/zinc/76/29/63/1325762963.db2.gz RNYSWFDAEAUIDS-DLBZAZTESA-N 2 2 336.480 2.232 10 0 EEAELP Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)o1 ZINC001284155632 1326439161 /nfs/dbraw/zinc/43/91/61/1326439161.db2.gz VTLYKSAIWWKVSR-JKSUJKDBSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)o1 ZINC001284155632 1326439162 /nfs/dbraw/zinc/43/91/62/1326439162.db2.gz VTLYKSAIWWKVSR-JKSUJKDBSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCOCC[NH2+]CC3CCC3)ccn12 ZINC001284868781 1326752037 /nfs/dbraw/zinc/75/20/37/1326752037.db2.gz FYBLLVKVLUGCAT-UHFFFAOYSA-N 2 2 344.459 2.121 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001491837730 1330269956 /nfs/dbraw/zinc/26/99/56/1330269956.db2.gz LNCMHVZWRZGLMP-GOSISDBHSA-N 2 2 340.471 2.332 10 0 EEAELP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2cccc(F)c2Cl)CC[N@@H+]1C ZINC001492257703 1331119046 /nfs/dbraw/zinc/11/90/46/1331119046.db2.gz TZLRKKPEOCIWOE-TZMCWYRMSA-N 2 2 341.858 2.367 10 0 EEAELP C[C@@H]1[C@H](C(=O)NCC[NH+](C)Cc2cccc(F)c2Cl)CC[N@H+]1C ZINC001492257703 1331119049 /nfs/dbraw/zinc/11/90/49/1331119049.db2.gz TZLRKKPEOCIWOE-TZMCWYRMSA-N 2 2 341.858 2.367 10 0 EEAELP C[C@@H]1[C@H](C(=O)NCC[N@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC001492257703 1331119053 /nfs/dbraw/zinc/11/90/53/1331119053.db2.gz TZLRKKPEOCIWOE-TZMCWYRMSA-N 2 2 341.858 2.367 10 0 EEAELP C[C@@H]1[C@H](C(=O)NCC[N@@H+](C)Cc2cccc(F)c2Cl)CC[NH+]1C ZINC001492257703 1331119057 /nfs/dbraw/zinc/11/90/57/1331119057.db2.gz TZLRKKPEOCIWOE-TZMCWYRMSA-N 2 2 341.858 2.367 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC001317342201 1332187050 /nfs/dbraw/zinc/18/70/50/1332187050.db2.gz HZCAANCVAUWBKW-SFHVURJKSA-N 2 2 340.471 2.332 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317429300 1332233058 /nfs/dbraw/zinc/23/30/58/1332233058.db2.gz VJGKEIFYJBQRJY-DLBZAZTESA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317429300 1332233060 /nfs/dbraw/zinc/23/30/60/1332233060.db2.gz VJGKEIFYJBQRJY-DLBZAZTESA-N 2 2 332.492 2.462 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)CCn2cc[nH+]c2)cc1 ZINC001319093079 1332648063 /nfs/dbraw/zinc/64/80/63/1332648063.db2.gz MAWGMGUEVNNBKQ-LJQANCHMSA-N 2 2 340.471 2.405 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001319466353 1332707121 /nfs/dbraw/zinc/70/71/21/1332707121.db2.gz KHPFGJKQMZVBDW-CXOKCQFOSA-N 2 2 326.444 2.492 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001319466353 1332707123 /nfs/dbraw/zinc/70/71/23/1332707123.db2.gz KHPFGJKQMZVBDW-CXOKCQFOSA-N 2 2 326.444 2.492 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001319503061 1332712405 /nfs/dbraw/zinc/71/24/05/1332712405.db2.gz QMRKVHRHZQHGJK-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP CO[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001319762172 1332760868 /nfs/dbraw/zinc/76/08/68/1332760868.db2.gz CWHHIUQUHRPXRM-HZPDHXFCSA-N 2 2 344.459 2.344 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC[C@H]1CCCCO1)c1cccc2[nH+]ccn21 ZINC001321155672 1333033003 /nfs/dbraw/zinc/03/30/03/1333033003.db2.gz OXANPYMTQLDTSY-RXYHWBRQSA-N 2 2 342.443 2.169 10 0 EEAELP CC[C@@H](F)C[NH2+]C/C=C/CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001321177969 1333038476 /nfs/dbraw/zinc/03/84/76/1333038476.db2.gz MGBKVSDMTLOPHX-QDLOVBKTSA-N 2 2 330.407 2.496 10 0 EEAELP Cc1cc(Cl)ccc1C[NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C ZINC001321339513 1333078664 /nfs/dbraw/zinc/07/86/64/1333078664.db2.gz VTIWJUHNWJRLAA-ONEGZZNKSA-N 2 2 346.862 2.387 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001322583425 1333288190 /nfs/dbraw/zinc/28/81/90/1333288190.db2.gz YQKQKNVTRRPBFI-QGZVFWFLSA-N 2 2 326.444 2.084 10 0 EEAELP CC(C)COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cc1[nH]cc[nH+]1 ZINC001323669679 1333512668 /nfs/dbraw/zinc/51/26/68/1333512668.db2.gz IYIPJYIOTIQXNS-ALOPSCKCSA-N 2 2 348.491 2.127 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001326542614 1334113226 /nfs/dbraw/zinc/11/32/26/1334113226.db2.gz XKHVJBFFHFCOCM-BRWVUGGUSA-N 2 2 348.491 2.034 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cscn1 ZINC001328287923 1334438505 /nfs/dbraw/zinc/43/85/05/1334438505.db2.gz YOZQSGZCQHIQKO-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1cscn1 ZINC001328287923 1334438510 /nfs/dbraw/zinc/43/85/10/1334438510.db2.gz YOZQSGZCQHIQKO-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001329051858 1334575202 /nfs/dbraw/zinc/57/52/02/1334575202.db2.gz ZZRHLIBPUHMJOW-NEPJUHHUSA-N 2 2 335.839 2.074 10 0 EEAELP C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001329051858 1334575205 /nfs/dbraw/zinc/57/52/05/1334575205.db2.gz ZZRHLIBPUHMJOW-NEPJUHHUSA-N 2 2 335.839 2.074 10 0 EEAELP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]Cc1cscn1 ZINC001329066933 1334578077 /nfs/dbraw/zinc/57/80/77/1334578077.db2.gz GMUPASKQSLHMKY-QWRGUYRKSA-N 2 2 329.429 2.316 10 0 EEAELP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCC([NH2+]CCCF)CC1 ZINC001329241343 1334613341 /nfs/dbraw/zinc/61/33/41/1334613341.db2.gz YHWJCUICAQWLOC-QQFBHYJXSA-N 2 2 336.455 2.164 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CCCOC(C)C)[C@@H]1C ZINC001331896687 1335669284 /nfs/dbraw/zinc/66/92/84/1335669284.db2.gz OETUBEQLRQMABC-DOTOQJQBSA-N 2 2 349.475 2.027 10 0 EEAELP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001506631320 1342294450 /nfs/dbraw/zinc/29/44/50/1342294450.db2.gz JJNJDRSKTASXEG-HOTGVXAUSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@]1(C[NH2+]CCc2ccccc2F)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001569690182 1342924550 /nfs/dbraw/zinc/92/45/50/1342924550.db2.gz WLIFORBSJFZEGK-IBGZPJMESA-N 2 2 344.434 2.162 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@@H+]1CCCCCF ZINC001676879405 1357229998 /nfs/dbraw/zinc/22/99/98/1357229998.db2.gz MVDFIVQMVYQMHQ-HOTGVXAUSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CCC[N@H+]1CCCCCF ZINC001676879405 1357230003 /nfs/dbraw/zinc/23/00/03/1357230003.db2.gz MVDFIVQMVYQMHQ-HOTGVXAUSA-N 2 2 338.471 2.462 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C(F)(F)F ZINC001677052160 1357271680 /nfs/dbraw/zinc/27/16/80/1357271680.db2.gz MFCGJCRUUPNFLM-STQMWFEESA-N 2 2 346.397 2.287 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCOc1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001677286818 1357307638 /nfs/dbraw/zinc/30/76/38/1357307638.db2.gz OYZUNWQSNZXKRD-KRWDZBQOSA-N 2 2 344.459 2.152 10 0 EEAELP C[C@@H](F)CC[N@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001677566934 1357358807 /nfs/dbraw/zinc/35/88/07/1357358807.db2.gz OZRWEOGXZGRFOI-OAHLLOKOSA-N 2 2 348.466 2.258 10 0 EEAELP C[C@@H](F)CC[N@@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001677566934 1357358810 /nfs/dbraw/zinc/35/88/10/1357358810.db2.gz OZRWEOGXZGRFOI-OAHLLOKOSA-N 2 2 348.466 2.258 10 0 EEAELP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2ncc(C)s2)CC1 ZINC001677624505 1357376670 /nfs/dbraw/zinc/37/66/70/1357376670.db2.gz QUASIRGSULCHIJ-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+](Cc2ncc(C)s2)CC1 ZINC001677624505 1357376677 /nfs/dbraw/zinc/37/66/77/1357376677.db2.gz QUASIRGSULCHIJ-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@H+](Cc2ncc(C)s2)CC1 ZINC001677624505 1357376683 /nfs/dbraw/zinc/37/66/83/1357376683.db2.gz QUASIRGSULCHIJ-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+](Cc2ncc(C)s2)CC1 ZINC001677624505 1357376686 /nfs/dbraw/zinc/37/66/86/1357376686.db2.gz QUASIRGSULCHIJ-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP O=C(NCCCCNc1cccc[nH+]1)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001641251800 1352720249 /nfs/dbraw/zinc/72/02/49/1352720249.db2.gz MGQLQHBVENYOOC-MRXNPFEDSA-N 2 2 339.443 2.311 10 0 EEAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc2cc[nH]c2c1 ZINC001660634844 1354506335 /nfs/dbraw/zinc/50/63/35/1354506335.db2.gz CTSJMEBJLITGAJ-UHFFFAOYSA-N 2 2 339.443 2.393 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc2cc[nH]c2c1 ZINC001660634844 1354506336 /nfs/dbraw/zinc/50/63/36/1354506336.db2.gz CTSJMEBJLITGAJ-UHFFFAOYSA-N 2 2 339.443 2.393 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001661678929 1354671463 /nfs/dbraw/zinc/67/14/63/1354671463.db2.gz XTCZRPHPBBBSJT-CALCHBBNSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001661964583 1354729549 /nfs/dbraw/zinc/72/95/49/1354729549.db2.gz XKSFXAQOCYSBBA-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001662717983 1354830891 /nfs/dbraw/zinc/83/08/91/1354830891.db2.gz ORFUQTQOHWTEII-AWEZNQCLSA-N 2 2 332.473 2.003 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001664212735 1355114129 /nfs/dbraw/zinc/11/41/29/1355114129.db2.gz AIKLQGVLXKXWAR-UHFFFAOYSA-N 2 2 334.851 2.286 10 0 EEAELP C[C@@](C[NH2+]CCC1CC1)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001666005790 1355424114 /nfs/dbraw/zinc/42/41/14/1355424114.db2.gz VGBUOVYLLKSOKQ-BEFAXECRSA-N 2 2 330.476 2.120 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001666167505 1355473416 /nfs/dbraw/zinc/47/34/16/1355473416.db2.gz LLRXMRFODONHTK-IRXDYDNUSA-N 2 2 348.491 2.048 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001666938991 1355618582 /nfs/dbraw/zinc/61/85/82/1355618582.db2.gz QIMJDCSEOCFPBI-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP CCN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001668430666 1355939485 /nfs/dbraw/zinc/93/94/85/1355939485.db2.gz BBLDGGJHQJRWLU-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP CCc1cnc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001668828977 1356014498 /nfs/dbraw/zinc/01/44/98/1356014498.db2.gz UVZRJLREIHPYJC-VOTSOKGWSA-N 2 2 348.491 2.264 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1cccc(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC001668892747 1356037673 /nfs/dbraw/zinc/03/76/73/1356037673.db2.gz IPKPLARJSGFZEU-PYKQWIPUSA-N 2 2 342.418 2.047 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1cc(F)cc(F)c1 ZINC001668967558 1356058056 /nfs/dbraw/zinc/05/80/56/1356058056.db2.gz XGZAPRAXAHSNEP-OWOJBTEDSA-N 2 2 334.370 2.014 10 0 EEAELP CCOCC[NH+]1CCC(C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001671853982 1356425419 /nfs/dbraw/zinc/42/54/19/1356425419.db2.gz IURUCTWZKXQGKQ-INIZCTEOSA-N 2 2 336.480 2.089 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001673886964 1356755050 /nfs/dbraw/zinc/75/50/50/1356755050.db2.gz YCACDMUSAQMUPZ-CVEARBPZSA-N 2 2 344.459 2.200 10 0 EEAELP CCCCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001674315320 1356817149 /nfs/dbraw/zinc/81/71/49/1356817149.db2.gz JOMLHQWNPCEDQD-HZPDHXFCSA-N 2 2 348.491 2.037 10 0 EEAELP CCCCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001674315320 1356817154 /nfs/dbraw/zinc/81/71/54/1356817154.db2.gz JOMLHQWNPCEDQD-HZPDHXFCSA-N 2 2 348.491 2.037 10 0 EEAELP CN(CC(C)(C)C[NH2+]CC(F)(F)C(F)F)C(=O)[C@@H]1CCC[N@H+]1C ZINC001674822837 1356901062 /nfs/dbraw/zinc/90/10/62/1356901062.db2.gz NRIHGSVWVCIHMF-NSHDSACASA-N 2 2 341.393 2.055 10 0 EEAELP CN(CC[N@H+](C)Cc1cccc2cccnc21)C(=O)Cn1cc[nH+]c1 ZINC001699011249 1405225196 /nfs/dbraw/zinc/22/51/96/1405225196.db2.gz SLYUHZPLYBMSGW-UHFFFAOYSA-N 2 2 337.427 2.022 10 0 EEAELP CN(CC[N@@H+](C)Cc1cccc2cccnc21)C(=O)Cn1cc[nH+]c1 ZINC001699011249 1405225200 /nfs/dbraw/zinc/22/52/00/1405225200.db2.gz SLYUHZPLYBMSGW-UHFFFAOYSA-N 2 2 337.427 2.022 10 0 EEAELP C[C@@H](CC[NH2+]CC(F)(F)C(F)F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699125491 1405282197 /nfs/dbraw/zinc/28/21/97/1405282197.db2.gz FIALACGFLNXONK-NSHDSACASA-N 2 2 341.393 2.246 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001699697524 1405450448 /nfs/dbraw/zinc/45/04/48/1405450448.db2.gz PAPBXEJMVOUSFT-LJQANCHMSA-N 2 2 348.491 2.002 10 0 EEAELP CCOCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001699697524 1405450455 /nfs/dbraw/zinc/45/04/55/1405450455.db2.gz PAPBXEJMVOUSFT-LJQANCHMSA-N 2 2 348.491 2.002 10 0 EEAELP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001699961867 1405607108 /nfs/dbraw/zinc/60/71/08/1405607108.db2.gz DHLKCBAUUNKZMJ-MJGOQNOKSA-N 2 2 340.471 2.200 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N(CC[NH2+]CCF)Cc1ccccc1 ZINC001699983910 1405626969 /nfs/dbraw/zinc/62/69/69/1405626969.db2.gz FVFDSGKMSJDUMT-QGZVFWFLSA-N 2 2 344.434 2.033 10 0 EEAELP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC2(CC[NH+]2Cc2ccccc2)C1 ZINC000910776798 787036706 /nfs/dbraw/zinc/03/67/06/787036706.db2.gz FGUWMBQXOCSMGG-MOPGFXCFSA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@@H]1CC[C@H]2CCCC[N@H+]21)N1CC2(CC[NH+]2Cc2ccccc2)C1 ZINC000910776798 787036713 /nfs/dbraw/zinc/03/67/13/787036713.db2.gz FGUWMBQXOCSMGG-MOPGFXCFSA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@@H]1CC[C@H]2CCCC[NH+]21)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776798 787036723 /nfs/dbraw/zinc/03/67/23/787036723.db2.gz FGUWMBQXOCSMGG-MOPGFXCFSA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@@H]1CC[C@H]2CCCC[NH+]21)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776798 787036736 /nfs/dbraw/zinc/03/67/36/787036736.db2.gz FGUWMBQXOCSMGG-MOPGFXCFSA-N 2 2 339.483 2.490 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000844187512 788895233 /nfs/dbraw/zinc/89/52/33/788895233.db2.gz HKXPMLIMQKHLPI-LSDHHAIUSA-N 2 2 331.451 2.472 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000844187512 788895241 /nfs/dbraw/zinc/89/52/41/788895241.db2.gz HKXPMLIMQKHLPI-LSDHHAIUSA-N 2 2 331.451 2.472 10 0 EEAELP C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000923358277 789427921 /nfs/dbraw/zinc/42/79/21/789427921.db2.gz YBCGVEBOKGDZKK-FZMZJTMJSA-N 2 2 333.259 2.402 10 0 EEAELP C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)[C@@H](C[NH3+])C1CC1 ZINC000923358277 789427925 /nfs/dbraw/zinc/42/79/25/789427925.db2.gz YBCGVEBOKGDZKK-FZMZJTMJSA-N 2 2 333.259 2.402 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001566094172 1125557215 /nfs/dbraw/zinc/55/72/15/1125557215.db2.gz HIRADOYYYQVLGO-LREFGLRZSA-N 2 2 334.464 2.285 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001566094172 1125557216 /nfs/dbraw/zinc/55/72/16/1125557216.db2.gz HIRADOYYYQVLGO-LREFGLRZSA-N 2 2 334.464 2.285 10 0 EEAELP C[C@H]1C[C@@H](C[N@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001566465969 1125626473 /nfs/dbraw/zinc/62/64/73/1125626473.db2.gz KQVSXLCZIDDVOZ-GJZGRUSLSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H]1C[C@@H](C[N@@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001566465969 1125626476 /nfs/dbraw/zinc/62/64/76/1125626476.db2.gz KQVSXLCZIDDVOZ-GJZGRUSLSA-N 2 2 344.459 2.430 10 0 EEAELP CCO[C@H](C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CC1 ZINC001436481271 1087964238 /nfs/dbraw/zinc/96/42/38/1087964238.db2.gz VZUJURDCJFWXFL-FUHWJXTLSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1ncoc1C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001436692597 1088149424 /nfs/dbraw/zinc/14/94/24/1088149424.db2.gz LWWPVIAMJJDGGO-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1ncoc1C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001436692597 1088149430 /nfs/dbraw/zinc/14/94/30/1088149430.db2.gz LWWPVIAMJJDGGO-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001436820409 1088414939 /nfs/dbraw/zinc/41/49/39/1088414939.db2.gz UDLGAEZUAJFZSE-RDJZCZTQSA-N 2 2 348.491 2.232 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001436970006 1088663152 /nfs/dbraw/zinc/66/31/52/1088663152.db2.gz IGXANMRGMOUQIY-BMFZPTHFSA-N 2 2 328.460 2.468 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(F)cc1F ZINC001437163753 1089178945 /nfs/dbraw/zinc/17/89/45/1089178945.db2.gz GYUXSGPINBJOHJ-QWHCGFSZSA-N 2 2 348.397 2.018 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NCC[NH+](C)Cc1cncs1)c1ccccc1 ZINC001437541356 1089991110 /nfs/dbraw/zinc/99/11/10/1089991110.db2.gz DIFLZECGYFXZRA-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NCC[NH+](C)Cc1cncs1)c1ccccc1 ZINC001437541356 1089991116 /nfs/dbraw/zinc/99/11/16/1089991116.db2.gz DIFLZECGYFXZRA-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NCC[N@H+](C)Cc1cncs1)c1ccccc1 ZINC001437541356 1089991123 /nfs/dbraw/zinc/99/11/23/1089991123.db2.gz DIFLZECGYFXZRA-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NCC[N@@H+](C)Cc1cncs1)c1ccccc1 ZINC001437541356 1089991140 /nfs/dbraw/zinc/99/11/40/1089991140.db2.gz DIFLZECGYFXZRA-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CCc1ccccc1Cl ZINC001437645800 1090166436 /nfs/dbraw/zinc/16/64/36/1090166436.db2.gz ZMRMVFCFCUNLKC-UHFFFAOYSA-N 2 2 334.851 2.217 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CCc1ccccc1Cl ZINC001437645800 1090166439 /nfs/dbraw/zinc/16/64/39/1090166439.db2.gz ZMRMVFCFCUNLKC-UHFFFAOYSA-N 2 2 334.851 2.217 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2nccs2)C1)[NH+](CC)CC ZINC001438241580 1090721767 /nfs/dbraw/zinc/72/17/67/1090721767.db2.gz WGTXLOYDOUWBSU-LSDHHAIUSA-N 2 2 338.521 2.296 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccs2)C1)[NH+](CC)CC ZINC001438241580 1090721770 /nfs/dbraw/zinc/72/17/70/1090721770.db2.gz WGTXLOYDOUWBSU-LSDHHAIUSA-N 2 2 338.521 2.296 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001445400534 1091147741 /nfs/dbraw/zinc/14/77/41/1091147741.db2.gz SNYSXNXCRPIUSF-SJORKVTESA-N 2 2 340.471 2.357 10 0 EEAELP C[C@@H](C[NH2+]CC1CCC(F)(F)CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438711748 1091228211 /nfs/dbraw/zinc/22/82/11/1091228211.db2.gz DJCDSKHODHSJSI-ZDUSSCGKSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001445573813 1091355009 /nfs/dbraw/zinc/35/50/09/1091355009.db2.gz YSUIHKAFSSUZNA-DZGCQCFKSA-N 2 2 346.862 2.393 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1CCc1ccccc1Cl ZINC001446056265 1092065116 /nfs/dbraw/zinc/06/51/16/1092065116.db2.gz AWJWENNNIRPVTD-MRXNPFEDSA-N 2 2 346.862 2.278 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1CCc1ccccc1Cl ZINC001446056265 1092065124 /nfs/dbraw/zinc/06/51/24/1092065124.db2.gz AWJWENNNIRPVTD-MRXNPFEDSA-N 2 2 346.862 2.278 10 0 EEAELP C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439381418 1092125448 /nfs/dbraw/zinc/12/54/48/1092125448.db2.gz LBGCMEXBIPWEES-UONOGXRCSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439381418 1092125451 /nfs/dbraw/zinc/12/54/51/1092125451.db2.gz LBGCMEXBIPWEES-UONOGXRCSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001439381418 1092125453 /nfs/dbraw/zinc/12/54/53/1092125453.db2.gz LBGCMEXBIPWEES-UONOGXRCSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001439381418 1092125457 /nfs/dbraw/zinc/12/54/57/1092125457.db2.gz LBGCMEXBIPWEES-UONOGXRCSA-N 2 2 334.489 2.329 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001446250506 1092373732 /nfs/dbraw/zinc/37/37/32/1092373732.db2.gz FDSTVYFAOVIBNN-HZPDHXFCSA-N 2 2 342.487 2.342 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001439529641 1092382487 /nfs/dbraw/zinc/38/24/87/1092382487.db2.gz ZACDENCRCMICRS-NVXWUHKLSA-N 2 2 341.459 2.182 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001439529641 1092382500 /nfs/dbraw/zinc/38/25/00/1092382500.db2.gz ZACDENCRCMICRS-NVXWUHKLSA-N 2 2 341.459 2.182 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)c(C)o1 ZINC001439619776 1092527534 /nfs/dbraw/zinc/52/75/34/1092527534.db2.gz DMYGVGQRKIEYII-DOTOQJQBSA-N 2 2 346.475 2.047 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CC2)c(C)o1 ZINC001439619776 1092527548 /nfs/dbraw/zinc/52/75/48/1092527548.db2.gz DMYGVGQRKIEYII-DOTOQJQBSA-N 2 2 346.475 2.047 10 0 EEAELP Cc1nc(C[NH+]2CCC(C)(NC(=O)C[NH+]3CCC(C)CC3)CC2)co1 ZINC001439806270 1092764680 /nfs/dbraw/zinc/76/46/80/1092764680.db2.gz FCEKJCGXIBAFHS-UHFFFAOYSA-N 2 2 348.491 2.186 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\Cl)[NH+]1CCCC1 ZINC001440275448 1093391554 /nfs/dbraw/zinc/39/15/54/1093391554.db2.gz PJZGXUUMHWBPPV-MMAALDBVSA-N 2 2 327.900 2.392 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\Cl)[NH+]1CCCC1 ZINC001440275448 1093391562 /nfs/dbraw/zinc/39/15/62/1093391562.db2.gz PJZGXUUMHWBPPV-MMAALDBVSA-N 2 2 327.900 2.392 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@H+](C)Cc2ccns2)c[nH+]1 ZINC001440426854 1093625083 /nfs/dbraw/zinc/62/50/83/1093625083.db2.gz IQIOUDVRWHQHOD-UHFFFAOYSA-N 2 2 349.504 2.364 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc2ccns2)c[nH+]1 ZINC001440426854 1093625086 /nfs/dbraw/zinc/62/50/86/1093625086.db2.gz IQIOUDVRWHQHOD-UHFFFAOYSA-N 2 2 349.504 2.364 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001440465823 1093689703 /nfs/dbraw/zinc/68/97/03/1093689703.db2.gz OCBJDMRODPNNSW-CYBMUJFWSA-N 2 2 332.370 2.196 10 0 EEAELP CC(C)CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)CO2 ZINC001440510835 1093757073 /nfs/dbraw/zinc/75/70/73/1093757073.db2.gz NWJBLQDFMMWFIS-IAGOWNOFSA-N 2 2 348.491 2.230 10 0 EEAELP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001448732064 1093803493 /nfs/dbraw/zinc/80/34/93/1093803493.db2.gz MMKSIJVWHLLCHI-CABCVRRESA-N 2 2 329.448 2.174 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC1CC(F)(F)C1 ZINC001448736319 1093807093 /nfs/dbraw/zinc/80/70/93/1093807093.db2.gz LUDPDYVISVNEHA-VXGBXAGGSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC1CC(F)(F)C1 ZINC001448736319 1093807097 /nfs/dbraw/zinc/80/70/97/1093807097.db2.gz LUDPDYVISVNEHA-VXGBXAGGSA-N 2 2 328.407 2.070 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC2CC(NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001440757586 1093999904 /nfs/dbraw/zinc/99/99/04/1093999904.db2.gz ZELOLWROVUCZFJ-UHFFFAOYSA-N 2 2 344.434 2.405 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC(F)(F)F)C2 ZINC001440975102 1094234491 /nfs/dbraw/zinc/23/44/91/1094234491.db2.gz UGUWTPOJJLIHMB-AAEUAGOBSA-N 2 2 346.397 2.143 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)CCC(F)(F)F)C2 ZINC001440975102 1094234496 /nfs/dbraw/zinc/23/44/96/1094234496.db2.gz UGUWTPOJJLIHMB-AAEUAGOBSA-N 2 2 346.397 2.143 10 0 EEAELP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1cccnc1 ZINC001441035916 1094330775 /nfs/dbraw/zinc/33/07/75/1094330775.db2.gz LUTZHBAPYIKLMX-LPHOPBHVSA-N 2 2 340.471 2.321 10 0 EEAELP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1cccnc1 ZINC001441035916 1094330788 /nfs/dbraw/zinc/33/07/88/1094330788.db2.gz LUTZHBAPYIKLMX-LPHOPBHVSA-N 2 2 340.471 2.321 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001441455802 1095106034 /nfs/dbraw/zinc/10/60/34/1095106034.db2.gz JNPGRFWNMPENKR-DYVFJYSZSA-N 2 2 345.447 2.157 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001441580088 1095381525 /nfs/dbraw/zinc/38/15/25/1095381525.db2.gz IQTPQQUQCKQSCY-LPHOPBHVSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001441580088 1095381537 /nfs/dbraw/zinc/38/15/37/1095381537.db2.gz IQTPQQUQCKQSCY-LPHOPBHVSA-N 2 2 338.455 2.399 10 0 EEAELP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001442191333 1096466203 /nfs/dbraw/zinc/46/62/03/1096466203.db2.gz CQDQNDJPSGAGFQ-SJORKVTESA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001442191333 1096466207 /nfs/dbraw/zinc/46/62/07/1096466207.db2.gz CQDQNDJPSGAGFQ-SJORKVTESA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@H](C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)OC ZINC001442208896 1096496808 /nfs/dbraw/zinc/49/68/08/1096496808.db2.gz ALLVUEZSTWCWFP-LSDHHAIUSA-N 2 2 336.480 2.035 10 0 EEAELP CC[C@H](C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)OC ZINC001442208896 1096496810 /nfs/dbraw/zinc/49/68/10/1096496810.db2.gz ALLVUEZSTWCWFP-LSDHHAIUSA-N 2 2 336.480 2.035 10 0 EEAELP C[C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC(C)(C)C1 ZINC001442275545 1096584581 /nfs/dbraw/zinc/58/45/81/1096584581.db2.gz OSBUTLTYLCJKFX-ZBFHGGJFSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CCc2[nH+]ccn2C)c(C)n1 ZINC001442290745 1096606127 /nfs/dbraw/zinc/60/61/27/1096606127.db2.gz YXPJKHPTSHQJIL-CQSZACIVSA-N 2 2 343.475 2.049 10 0 EEAELP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cc(C2CC2)no1 ZINC001442550736 1096912946 /nfs/dbraw/zinc/91/29/46/1096912946.db2.gz FBUUOROYLXSDJI-MAUKXSAKSA-N 2 2 346.475 2.117 10 0 EEAELP C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1cc(C2CC2)no1 ZINC001442550736 1096912949 /nfs/dbraw/zinc/91/29/49/1096912949.db2.gz FBUUOROYLXSDJI-MAUKXSAKSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1cc(C2CC2)no1 ZINC001442550736 1096912955 /nfs/dbraw/zinc/91/29/55/1096912955.db2.gz FBUUOROYLXSDJI-MAUKXSAKSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)Cc1cc(C2CC2)no1 ZINC001442550736 1096912962 /nfs/dbraw/zinc/91/29/62/1096912962.db2.gz FBUUOROYLXSDJI-MAUKXSAKSA-N 2 2 346.475 2.117 10 0 EEAELP CN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001443074187 1097486589 /nfs/dbraw/zinc/48/65/89/1097486589.db2.gz BOJMGVQOTCDMKT-KZNAEPCWSA-N 2 2 338.455 2.259 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@@H](CCNC(=O)CCn3cc[nH+]c3)C2)s1 ZINC001443267558 1097746880 /nfs/dbraw/zinc/74/68/80/1097746880.db2.gz QENVEDKJOXURCQ-OAHLLOKOSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@@H](CCNC(=O)CCn3cc[nH+]c3)C2)s1 ZINC001443267558 1097746884 /nfs/dbraw/zinc/74/68/84/1097746884.db2.gz QENVEDKJOXURCQ-OAHLLOKOSA-N 2 2 347.488 2.067 10 0 EEAELP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1)[NH+](C)C ZINC001443876119 1098401535 /nfs/dbraw/zinc/40/15/35/1098401535.db2.gz BLZSUBQMLGCGRX-RDJZCZTQSA-N 2 2 336.480 2.054 10 0 EEAELP CC[C@@H](C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1)[NH+](C)C ZINC001443876119 1098401538 /nfs/dbraw/zinc/40/15/38/1098401538.db2.gz BLZSUBQMLGCGRX-RDJZCZTQSA-N 2 2 336.480 2.054 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001443885162 1098412803 /nfs/dbraw/zinc/41/28/03/1098412803.db2.gz WXVSDUBIFQTXFN-MRXNPFEDSA-N 2 2 348.491 2.315 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001443885162 1098412804 /nfs/dbraw/zinc/41/28/04/1098412804.db2.gz WXVSDUBIFQTXFN-MRXNPFEDSA-N 2 2 348.491 2.315 10 0 EEAELP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001443885162 1098412805 /nfs/dbraw/zinc/41/28/05/1098412805.db2.gz WXVSDUBIFQTXFN-MRXNPFEDSA-N 2 2 348.491 2.315 10 0 EEAELP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001443885162 1098412806 /nfs/dbraw/zinc/41/28/06/1098412806.db2.gz WXVSDUBIFQTXFN-MRXNPFEDSA-N 2 2 348.491 2.315 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001479493885 1098563411 /nfs/dbraw/zinc/56/34/11/1098563411.db2.gz KYASIDQYPDZFLB-DZGCQCFKSA-N 2 2 347.850 2.006 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]Cc2c(F)cccc2F)CCCC1 ZINC001444091703 1098623447 /nfs/dbraw/zinc/62/34/47/1098623447.db2.gz WBMXFGBWEXYLSR-UHFFFAOYSA-N 2 2 348.397 2.380 10 0 EEAELP C[C@@](C[NH2+]CC1CCC1)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001444137681 1098676613 /nfs/dbraw/zinc/67/66/13/1098676613.db2.gz WBZOURWWGJHDMJ-KXBFYZLASA-N 2 2 330.476 2.120 10 0 EEAELP COCCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479692710 1098757067 /nfs/dbraw/zinc/75/70/67/1098757067.db2.gz PQQNAODWJZTGBJ-IAGOWNOFSA-N 2 2 336.480 2.232 10 0 EEAELP C[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC1CCCC1 ZINC001479771896 1098942442 /nfs/dbraw/zinc/94/24/42/1098942442.db2.gz QMUXHCAGOIWDJK-SFHVURJKSA-N 2 2 347.507 2.418 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC1CCCC1 ZINC001479771896 1098942451 /nfs/dbraw/zinc/94/24/51/1098942451.db2.gz QMUXHCAGOIWDJK-SFHVURJKSA-N 2 2 347.507 2.418 10 0 EEAELP C[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)CC1CCCC1 ZINC001479771896 1098942457 /nfs/dbraw/zinc/94/24/57/1098942457.db2.gz QMUXHCAGOIWDJK-SFHVURJKSA-N 2 2 347.507 2.418 10 0 EEAELP C[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)CC1CCCC1 ZINC001479771896 1098942464 /nfs/dbraw/zinc/94/24/64/1098942464.db2.gz QMUXHCAGOIWDJK-SFHVURJKSA-N 2 2 347.507 2.418 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CC[C@@H]1CCCO1 ZINC001479849350 1099146551 /nfs/dbraw/zinc/14/65/51/1099146551.db2.gz VMDFSSUCZBAUKM-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CC[C@@H]1CCCO1 ZINC001479849350 1099146553 /nfs/dbraw/zinc/14/65/53/1099146553.db2.gz VMDFSSUCZBAUKM-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001480298158 1100014391 /nfs/dbraw/zinc/01/43/91/1100014391.db2.gz QDMQCJQWMDQUBK-GOSISDBHSA-N 2 2 340.471 2.413 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(C)c(C)o1 ZINC001480464480 1100269691 /nfs/dbraw/zinc/26/96/91/1100269691.db2.gz TZJKBSWKPZAPDO-CHWSQXEVSA-N 2 2 347.463 2.296 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001480511647 1100340260 /nfs/dbraw/zinc/34/02/60/1100340260.db2.gz MCSLLVCSIUINEY-ZIAGYGMSSA-N 2 2 328.407 2.193 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001480511643 1100340720 /nfs/dbraw/zinc/34/07/20/1100340720.db2.gz MCSLLVCSIUINEY-KGLIPLIRSA-N 2 2 328.407 2.193 10 0 EEAELP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001480548557 1100383647 /nfs/dbraw/zinc/38/36/47/1100383647.db2.gz LHLJFXYRCSFLJT-GOEBONIOSA-N 2 2 336.480 2.094 10 0 EEAELP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)o1 ZINC001480548557 1100383656 /nfs/dbraw/zinc/38/36/56/1100383656.db2.gz LHLJFXYRCSFLJT-GOEBONIOSA-N 2 2 336.480 2.094 10 0 EEAELP CCc1cccc(C[NH+]2CC(N(C)C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001446370551 1100738409 /nfs/dbraw/zinc/73/84/09/1100738409.db2.gz HHVQRRWRNPAIJE-UHFFFAOYSA-N 2 2 329.488 2.376 10 0 EEAELP CCc1cccc(C[NH+]2CC(N(C)C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001446370551 1100738412 /nfs/dbraw/zinc/73/84/12/1100738412.db2.gz HHVQRRWRNPAIJE-UHFFFAOYSA-N 2 2 329.488 2.376 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001496207092 1100748900 /nfs/dbraw/zinc/74/89/00/1100748900.db2.gz NISVYNHZNKQMEW-JCVNQNCUSA-N 2 2 326.444 2.113 10 0 EEAELP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001495170375 1100844115 /nfs/dbraw/zinc/84/41/15/1100844115.db2.gz ZYGIWQUJZWKNGR-LSDHHAIUSA-N 2 2 336.455 2.212 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC001496325101 1100920542 /nfs/dbraw/zinc/92/05/42/1100920542.db2.gz RKPJIGMAQCIUEF-MSOLQXFVSA-N 2 2 348.491 2.176 10 0 EEAELP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001446487948 1100923868 /nfs/dbraw/zinc/92/38/68/1100923868.db2.gz GUYDVRDYXYOGAR-AEFFLSMTSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H](NC(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC001446500680 1100947860 /nfs/dbraw/zinc/94/78/60/1100947860.db2.gz PFDAQBXQCPDMAW-INIZCTEOSA-N 2 2 345.447 2.034 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](CC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001495363000 1101079013 /nfs/dbraw/zinc/07/90/13/1101079013.db2.gz KBUNIFOASQFWMK-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](CC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001495363000 1101079019 /nfs/dbraw/zinc/07/90/19/1101079019.db2.gz KBUNIFOASQFWMK-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001495381436 1101100970 /nfs/dbraw/zinc/10/09/70/1101100970.db2.gz WXCWBAYRRPOIKD-GOSISDBHSA-N 2 2 340.471 2.381 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001495583547 1101288957 /nfs/dbraw/zinc/28/89/57/1101288957.db2.gz RLNWIMXGFSDGNR-VXGBXAGGSA-N 2 2 345.274 2.117 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@H+](C)Cc1conc1C ZINC001496706144 1101306193 /nfs/dbraw/zinc/30/61/93/1101306193.db2.gz DSWNWVPCVIYVAY-AWEZNQCLSA-N 2 2 347.463 2.283 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@@H+](C)Cc1conc1C ZINC001496706144 1101306206 /nfs/dbraw/zinc/30/62/06/1101306206.db2.gz DSWNWVPCVIYVAY-AWEZNQCLSA-N 2 2 347.463 2.283 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]CCCc1ccccc1 ZINC001496925343 1101728227 /nfs/dbraw/zinc/72/82/27/1101728227.db2.gz ULZCYPQDLDMSPT-OALUTQOASA-N 2 2 340.471 2.390 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)no1 ZINC001497189345 1102097256 /nfs/dbraw/zinc/09/72/56/1102097256.db2.gz VTBGYOCTBQKOTJ-GFCCVEGCSA-N 2 2 341.415 2.237 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCCC1CCCC1 ZINC001447161404 1102114198 /nfs/dbraw/zinc/11/41/98/1102114198.db2.gz GILAHYDXPHMJSL-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCCC1CCCC1 ZINC001447161404 1102114204 /nfs/dbraw/zinc/11/42/04/1102114204.db2.gz GILAHYDXPHMJSL-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CCCC1CCCC1 ZINC001447161404 1102114208 /nfs/dbraw/zinc/11/42/08/1102114208.db2.gz GILAHYDXPHMJSL-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1COCC[N@H+]1CCCC1CCCC1 ZINC001447161404 1102114214 /nfs/dbraw/zinc/11/42/14/1102114214.db2.gz GILAHYDXPHMJSL-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CCN(CC[NH2+]CC[C@H](C)F)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001497478747 1102553632 /nfs/dbraw/zinc/55/36/32/1102553632.db2.gz QVUBZGHJWICOGL-HNNXBMFYSA-N 2 2 334.439 2.371 10 0 EEAELP CC(C)CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001497589214 1102709166 /nfs/dbraw/zinc/70/91/66/1102709166.db2.gz ZKSXCHAESHXLFS-BDUNBXCCSA-N 2 2 333.480 2.098 10 0 EEAELP CC(C)CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001497589214 1102709175 /nfs/dbraw/zinc/70/91/75/1102709175.db2.gz ZKSXCHAESHXLFS-BDUNBXCCSA-N 2 2 333.480 2.098 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001497643512 1102803410 /nfs/dbraw/zinc/80/34/10/1102803410.db2.gz AKDLWWGJAHLRDX-BGTMTDRBSA-N 2 2 340.418 2.361 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]CC[C@H]1CCCC1(F)F ZINC001497715312 1102955862 /nfs/dbraw/zinc/95/58/62/1102955862.db2.gz UIYBLEKBRUTYKK-UIIMQBOASA-N 2 2 326.391 2.040 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497840607 1103176012 /nfs/dbraw/zinc/17/60/12/1103176012.db2.gz LEBAJEDJOHICEK-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001447883954 1103513633 /nfs/dbraw/zinc/51/36/33/1103513633.db2.gz KYEQSWSZVWCWRL-HOTGVXAUSA-N 2 2 340.471 2.445 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001447914442 1103585129 /nfs/dbraw/zinc/58/51/29/1103585129.db2.gz HZQFHAFQBZAOQJ-KGLIPLIRSA-N 2 2 344.459 2.261 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC001448222565 1104206741 /nfs/dbraw/zinc/20/67/41/1104206741.db2.gz RJOFTXHOJHWLJQ-UHFFFAOYSA-N 2 2 341.459 2.346 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1(C[NH2+]Cc2cccnc2)CCCCC1 ZINC001448222565 1104206743 /nfs/dbraw/zinc/20/67/43/1104206743.db2.gz RJOFTXHOJHWLJQ-UHFFFAOYSA-N 2 2 341.459 2.346 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001494950035 1104592922 /nfs/dbraw/zinc/59/29/22/1104592922.db2.gz PRJQOIODNJXWRD-KGLIPLIRSA-N 2 2 336.480 2.051 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001494950035 1104592929 /nfs/dbraw/zinc/59/29/29/1104592929.db2.gz PRJQOIODNJXWRD-KGLIPLIRSA-N 2 2 336.480 2.051 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC=C(Cl)Cl ZINC001495012997 1104654976 /nfs/dbraw/zinc/65/49/76/1104654976.db2.gz PTBFAFWFMFQUQR-NWDGAFQWSA-N 2 2 345.274 2.249 10 0 EEAELP C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C12CCC2 ZINC001454162123 1106790779 /nfs/dbraw/zinc/79/07/79/1106790779.db2.gz DAZYXUSEFHDDKL-IRXDYDNUSA-N 2 2 340.427 2.181 10 0 EEAELP Cc1ncc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC001480696353 1106903276 /nfs/dbraw/zinc/90/32/76/1106903276.db2.gz IBEVYBUXYGXQQJ-KBPBESRZSA-N 2 2 347.488 2.324 10 0 EEAELP Cc1ncc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)s1 ZINC001480696353 1106903290 /nfs/dbraw/zinc/90/32/90/1106903290.db2.gz IBEVYBUXYGXQQJ-KBPBESRZSA-N 2 2 347.488 2.324 10 0 EEAELP CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001480703706 1106919160 /nfs/dbraw/zinc/91/91/60/1106919160.db2.gz UQIHDTLOYPAOMM-GJZGRUSLSA-N 2 2 330.432 2.001 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)c(C)o1 ZINC001498282113 1107210500 /nfs/dbraw/zinc/21/05/00/1107210500.db2.gz 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EEAELP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccns1 ZINC001498326494 1107298578 /nfs/dbraw/zinc/29/85/78/1107298578.db2.gz MGSLWARKCSKQPN-GOEBONIOSA-N 2 2 338.521 2.200 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccns1 ZINC001498326494 1107298588 /nfs/dbraw/zinc/29/85/88/1107298588.db2.gz MGSLWARKCSKQPN-GOEBONIOSA-N 2 2 338.521 2.200 10 0 EEAELP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccns1 ZINC001498326494 1107298596 /nfs/dbraw/zinc/29/85/96/1107298596.db2.gz MGSLWARKCSKQPN-GOEBONIOSA-N 2 2 338.521 2.200 10 0 EEAELP CC(C)C[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccns1 ZINC001498326494 1107298615 /nfs/dbraw/zinc/29/86/15/1107298615.db2.gz MGSLWARKCSKQPN-GOEBONIOSA-N 2 2 338.521 2.200 10 0 EEAELP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001498367945 1107401542 /nfs/dbraw/zinc/40/15/42/1107401542.db2.gz ZNWCQPOJLICJFQ-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001498367945 1107401550 /nfs/dbraw/zinc/40/15/50/1107401550.db2.gz ZNWCQPOJLICJFQ-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001498367945 1107401557 /nfs/dbraw/zinc/40/15/57/1107401557.db2.gz ZNWCQPOJLICJFQ-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001498367945 1107401565 /nfs/dbraw/zinc/40/15/65/1107401565.db2.gz ZNWCQPOJLICJFQ-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001498446752 1107545964 /nfs/dbraw/zinc/54/59/64/1107545964.db2.gz YLPDBNZUFFFPSY-WCQYABFASA-N 2 2 328.407 2.133 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001498446752 1107545971 /nfs/dbraw/zinc/54/59/71/1107545971.db2.gz YLPDBNZUFFFPSY-WCQYABFASA-N 2 2 328.407 2.133 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C[C@@H]2CCCCO2)C2CC2)c[nH+]1 ZINC001493382327 1108032947 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333.451 2.391 10 0 EEAELP CC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001471521030 1110524317 /nfs/dbraw/zinc/52/43/17/1110524317.db2.gz XMHUDTNGXONOOQ-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001499461727 1112297610 /nfs/dbraw/zinc/29/76/10/1112297610.db2.gz OAFIKKRAEIIOEK-HUUCEWRRSA-N 2 2 348.491 2.409 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC[N@H+](C[C@H]1CCOC1)C1CCCCCC1 ZINC001499523078 1112339706 /nfs/dbraw/zinc/33/97/06/1112339706.db2.gz YZDRXUTZPJJHCQ-MRXNPFEDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC[N@@H+](C[C@H]1CCOC1)C1CCCCCC1 ZINC001499523078 1112339711 /nfs/dbraw/zinc/33/97/11/1112339711.db2.gz YZDRXUTZPJJHCQ-MRXNPFEDSA-N 2 2 348.491 2.130 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CCCc2cccc(F)c2)C1 ZINC001499775145 1112481797 /nfs/dbraw/zinc/48/17/97/1112481797.db2.gz WNPCRYADQGETSR-UHFFFAOYSA-N 2 2 335.467 2.243 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](CCCc2cccc(F)c2)C1 ZINC001499775145 1112481799 /nfs/dbraw/zinc/48/17/99/1112481799.db2.gz WNPCRYADQGETSR-UHFFFAOYSA-N 2 2 335.467 2.243 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001499900771 1112533892 /nfs/dbraw/zinc/53/38/92/1112533892.db2.gz HLPNALMGAVFVCR-LBPRGKRZSA-N 2 2 331.247 2.242 10 0 EEAELP CC1(NC(=O)Cc2[nH]cc[nH+]2)CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC001500003298 1112574295 /nfs/dbraw/zinc/57/42/95/1112574295.db2.gz QUTVMXGZRVNSPY-ZDUSSCGKSA-N 2 2 340.418 2.358 10 0 EEAELP COCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001501057545 1113183529 /nfs/dbraw/zinc/18/35/29/1113183529.db2.gz CDHDTPLMWCQWAG-HZPDHXFCSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cs1 ZINC001501632336 1113407230 /nfs/dbraw/zinc/40/72/30/1113407230.db2.gz PBMXYFDGMMNNAT-AWEZNQCLSA-N 2 2 332.473 2.351 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001501655670 1113417935 /nfs/dbraw/zinc/41/79/35/1113417935.db2.gz XGGSTAHSCZQXQK-HNNXBMFYSA-N 2 2 332.473 2.016 10 0 EEAELP COCCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001505439302 1113973604 /nfs/dbraw/zinc/97/36/04/1113973604.db2.gz ZWBUNMXEFGYMAN-MRXNPFEDSA-N 2 2 344.459 2.297 10 0 EEAELP COCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001505439302 1113973605 /nfs/dbraw/zinc/97/36/05/1113973605.db2.gz ZWBUNMXEFGYMAN-MRXNPFEDSA-N 2 2 344.459 2.297 10 0 EEAELP C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H](C)[NH2+]CCC(F)(F)F ZINC001505606369 1114082163 /nfs/dbraw/zinc/08/21/63/1114082163.db2.gz QPOJZCNAXQSGRQ-VXGBXAGGSA-N 2 2 346.397 2.197 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505768501 1114180239 /nfs/dbraw/zinc/18/02/39/1114180239.db2.gz OCAKXVHZHYLQEU-NEPJUHHUSA-N 2 2 338.814 2.359 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001505937251 1114289327 /nfs/dbraw/zinc/28/93/27/1114289327.db2.gz BBAPHMOWCQDHIU-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001505937251 1114289328 /nfs/dbraw/zinc/28/93/28/1114289328.db2.gz BBAPHMOWCQDHIU-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001505937251 1114289331 /nfs/dbraw/zinc/28/93/31/1114289331.db2.gz BBAPHMOWCQDHIU-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001505937251 1114289333 /nfs/dbraw/zinc/28/93/33/1114289333.db2.gz BBAPHMOWCQDHIU-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001506009733 1114341339 /nfs/dbraw/zinc/34/13/39/1114341339.db2.gz HQZQBJCXBYIXEA-CHWSQXEVSA-N 2 2 328.407 2.316 10 0 EEAELP C[C@H](CC(=O)NC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001506009733 1114341343 /nfs/dbraw/zinc/34/13/43/1114341343.db2.gz HQZQBJCXBYIXEA-CHWSQXEVSA-N 2 2 328.407 2.316 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001506045729 1114371615 /nfs/dbraw/zinc/37/16/15/1114371615.db2.gz CINJTRWRPLISLN-ACJLOTCBSA-N 2 2 326.444 2.385 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001506045729 1114371617 /nfs/dbraw/zinc/37/16/17/1114371617.db2.gz CINJTRWRPLISLN-ACJLOTCBSA-N 2 2 326.444 2.385 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001507016152 1115055856 /nfs/dbraw/zinc/05/58/56/1115055856.db2.gz UKYSOMIDAUCGMX-WMZOPIPTSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1cccnc1C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507128945 1115123777 /nfs/dbraw/zinc/12/37/77/1115123777.db2.gz MWKANQAMMHXBNY-HOTGVXAUSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1nc(CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001507132631 1115125503 /nfs/dbraw/zinc/12/55/03/1115125503.db2.gz WADSQCYRTDFQNG-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cs1 ZINC001507132631 1115125506 /nfs/dbraw/zinc/12/55/06/1115125506.db2.gz WADSQCYRTDFQNG-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001507145043 1115131860 /nfs/dbraw/zinc/13/18/60/1115131860.db2.gz VXBCKBPRAKSCDF-AWEZNQCLSA-N 2 2 339.443 2.081 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC001507447012 1115274629 /nfs/dbraw/zinc/27/46/29/1115274629.db2.gz HFIMEROMZRGUGC-JKSUJKDBSA-N 2 2 336.480 2.086 10 0 EEAELP Cc1cnc(C[NH+]2CC=C(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC001508231158 1115455858 /nfs/dbraw/zinc/45/58/58/1115455858.db2.gz WOSCQHZIHMCBAX-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cnc(C[NH+]2CC=C(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC001508231158 1115455860 /nfs/dbraw/zinc/45/58/60/1115455860.db2.gz WOSCQHZIHMCBAX-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC001508231158 1115455864 /nfs/dbraw/zinc/45/58/64/1115455864.db2.gz WOSCQHZIHMCBAX-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC001508231158 1115455866 /nfs/dbraw/zinc/45/58/66/1115455866.db2.gz WOSCQHZIHMCBAX-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001568062184 1124267470 /nfs/dbraw/zinc/26/74/70/1124267470.db2.gz WQZOFGNVXNFABR-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001568157435 1124332726 /nfs/dbraw/zinc/33/27/26/1124332726.db2.gz CEXDDRRHKMZEFS-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP CCCCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001568157435 1124332728 /nfs/dbraw/zinc/33/27/28/1124332728.db2.gz CEXDDRRHKMZEFS-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC001568347251 1124430295 /nfs/dbraw/zinc/43/02/95/1124430295.db2.gz YPMJVDRCCXJEBM-DOTOQJQBSA-N 2 2 348.491 2.034 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)c2ccc(C[NH+](C)C)cc2)no1 ZINC001568937607 1124969083 /nfs/dbraw/zinc/96/90/83/1124969083.db2.gz YLYKFKJHVLGTEV-PLNGDYQASA-N 2 2 342.443 2.120 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568997881 1125030961 /nfs/dbraw/zinc/03/09/61/1125030961.db2.gz NQLRMEWFVPCDDE-KBRIMQKVSA-N 2 2 349.438 2.356 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2ncccc2c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568997881 1125030971 /nfs/dbraw/zinc/03/09/71/1125030971.db2.gz NQLRMEWFVPCDDE-KBRIMQKVSA-N 2 2 349.438 2.356 10 0 EEAELP CC1(C)C[C@@H]([NH2+]C[C@]2(CCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000090189155 539375797 /nfs/dbraw/zinc/37/57/97/539375797.db2.gz MXSRNWABEQFSMY-QUCCMNQESA-N 2 2 332.488 2.418 10 0 EEAELP CC1(C)C[C@@H]([NH2+]C[C@]2(CCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000090189155 539375802 /nfs/dbraw/zinc/37/58/02/539375802.db2.gz MXSRNWABEQFSMY-QUCCMNQESA-N 2 2 332.488 2.418 10 0 EEAELP CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cs1 ZINC000185223733 539605972 /nfs/dbraw/zinc/60/59/72/539605972.db2.gz NJUZTIXDGHKPLI-OAHLLOKOSA-N 2 2 333.461 2.377 10 0 EEAELP CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cs1 ZINC000185223733 539605977 /nfs/dbraw/zinc/60/59/77/539605977.db2.gz NJUZTIXDGHKPLI-OAHLLOKOSA-N 2 2 333.461 2.377 10 0 EEAELP Fc1cccc(N2CCCC2)c1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423103872 283016779 /nfs/dbraw/zinc/01/67/79/283016779.db2.gz LOTMCVCCHZNSON-RBUKOAKNSA-N 2 2 333.451 2.283 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000371063833 283122960 /nfs/dbraw/zinc/12/29/60/283122960.db2.gz ISZAIKCELJPNBS-ROUUACIJSA-N 2 2 346.450 2.061 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000371063833 283122964 /nfs/dbraw/zinc/12/29/64/283122964.db2.gz ISZAIKCELJPNBS-ROUUACIJSA-N 2 2 346.450 2.061 10 0 EEAELP CCOC(=O)c1c[nH+]c2cc(OCC)ccc2c1N1CC[NH2+]CC1 ZINC000072237188 216076328 /nfs/dbraw/zinc/07/63/28/216076328.db2.gz SDHKLQGLWPIYHO-UHFFFAOYSA-N 2 2 329.400 2.220 10 0 EEAELP COc1ccc([C@@H](NCC[N@@H+]2CCOCC2(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422702480 240185128 /nfs/dbraw/zinc/18/51/28/240185128.db2.gz FFIAFOLCNJSZEO-RTBURBONSA-N 2 2 347.503 2.189 10 0 EEAELP COc1ccc([C@@H](NCC[N@H+]2CCOCC2(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422702480 240185135 /nfs/dbraw/zinc/18/51/35/240185135.db2.gz FFIAFOLCNJSZEO-RTBURBONSA-N 2 2 347.503 2.189 10 0 EEAELP c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(C[NH+]2CCCC2)c1 ZINC000422801315 240233063 /nfs/dbraw/zinc/23/30/63/240233063.db2.gz BRLGGBRDVUCSST-WOJBJXKFSA-N 3 2 329.488 2.139 10 0 EEAELP Brc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422939180 240299544 /nfs/dbraw/zinc/29/95/44/240299544.db2.gz QWCIGAAOZODSQD-HUUCEWRRSA-N 2 2 325.250 2.306 10 0 EEAELP Brc1ccsc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422945119 240301784 /nfs/dbraw/zinc/30/17/84/240301784.db2.gz MNUZYUWJIPSIMT-DGCLKSJQSA-N 2 2 331.279 2.367 10 0 EEAELP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423143266 240382516 /nfs/dbraw/zinc/38/25/16/240382516.db2.gz WTLJZYPIUJSKGT-CCKFTAQKSA-N 2 2 333.451 2.009 10 0 EEAELP O=C(NC[C@H]1CCCn2cc[nH+]c21)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000332696384 283997773 /nfs/dbraw/zinc/99/77/73/283997773.db2.gz YEXXRMUGEQUJJG-SJORKVTESA-N 2 2 345.491 2.420 10 0 EEAELP CN(c1ccccc1C[NH2+]CCc1cn(C)c[nH+]1)C1CC[NH+](C)CC1 ZINC000459668809 245203857 /nfs/dbraw/zinc/20/38/57/245203857.db2.gz UEWDBIALEZUITL-UHFFFAOYSA-N 3 2 341.503 2.283 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300542 256009516 /nfs/dbraw/zinc/00/95/16/256009516.db2.gz CRKZZEMBPLWESN-DOTOQJQBSA-N 2 2 332.492 2.139 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300542 256009517 /nfs/dbraw/zinc/00/95/17/256009517.db2.gz CRKZZEMBPLWESN-DOTOQJQBSA-N 2 2 332.492 2.139 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300542 256009518 /nfs/dbraw/zinc/00/95/18/256009518.db2.gz CRKZZEMBPLWESN-DOTOQJQBSA-N 2 2 332.492 2.139 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300542 256009519 /nfs/dbraw/zinc/00/95/19/256009519.db2.gz CRKZZEMBPLWESN-DOTOQJQBSA-N 2 2 332.492 2.139 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000268102298 256112868 /nfs/dbraw/zinc/11/28/68/256112868.db2.gz XBRQKTGLIDKOAK-INIZCTEOSA-N 2 2 340.427 2.403 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000271294045 256230585 /nfs/dbraw/zinc/23/05/85/256230585.db2.gz GMNHGSYOAVHAFS-IYBDPMFKSA-N 2 2 341.459 2.365 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000271294045 256230587 /nfs/dbraw/zinc/23/05/87/256230587.db2.gz GMNHGSYOAVHAFS-IYBDPMFKSA-N 2 2 341.459 2.365 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H]2CCCC[C@@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636807 258026058 /nfs/dbraw/zinc/02/60/58/258026058.db2.gz OGDXNBHWTLMLDI-WZGPROSRSA-N 2 2 334.508 2.428 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H]2CCCC[C@@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636807 258026060 /nfs/dbraw/zinc/02/60/60/258026060.db2.gz OGDXNBHWTLMLDI-WZGPROSRSA-N 2 2 334.508 2.428 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H]2CCCC[C@@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636807 258026061 /nfs/dbraw/zinc/02/60/61/258026061.db2.gz OGDXNBHWTLMLDI-WZGPROSRSA-N 2 2 334.508 2.428 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H]2CCCC[C@@H]2O)[C@@H]1c1cnn(C)c1 ZINC000328636807 258026063 /nfs/dbraw/zinc/02/60/63/258026063.db2.gz OGDXNBHWTLMLDI-WZGPROSRSA-N 2 2 334.508 2.428 10 0 EEAELP Cc1n[nH]c(C)c1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000114717279 142367849 /nfs/dbraw/zinc/36/78/49/142367849.db2.gz VOPYVPKXWJYBHH-OAHLLOKOSA-N 2 2 342.447 2.102 10 0 EEAELP Cc1n[nH]c(C)c1NC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000114717279 142367853 /nfs/dbraw/zinc/36/78/53/142367853.db2.gz VOPYVPKXWJYBHH-OAHLLOKOSA-N 2 2 342.447 2.102 10 0 EEAELP C[NH+]1CCC(CNC(=O)COc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000172755254 152114700 /nfs/dbraw/zinc/11/47/00/152114700.db2.gz WWHZGUKPNMRTQX-UHFFFAOYSA-N 2 2 345.487 2.132 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263081303 152371606 /nfs/dbraw/zinc/37/16/06/152371606.db2.gz XNZIADRQDWVORA-AWEZNQCLSA-N 2 2 341.427 2.171 10 0 EEAELP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207669 154003540 /nfs/dbraw/zinc/00/35/40/154003540.db2.gz JWQLFVSDSNVDAA-CYBMUJFWSA-N 2 2 330.407 2.433 10 0 EEAELP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374207669 154003543 /nfs/dbraw/zinc/00/35/43/154003543.db2.gz JWQLFVSDSNVDAA-CYBMUJFWSA-N 2 2 330.407 2.433 10 0 EEAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377343459 154153218 /nfs/dbraw/zinc/15/32/18/154153218.db2.gz DOBVIVXDUBRDJG-GJZGRUSLSA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377343459 154153222 /nfs/dbraw/zinc/15/32/22/154153222.db2.gz DOBVIVXDUBRDJG-GJZGRUSLSA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377343459 154153224 /nfs/dbraw/zinc/15/32/24/154153224.db2.gz DOBVIVXDUBRDJG-GJZGRUSLSA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377343459 154153229 /nfs/dbraw/zinc/15/32/29/154153229.db2.gz DOBVIVXDUBRDJG-GJZGRUSLSA-N 2 2 347.507 2.467 10 0 EEAELP NC(=O)[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249864899 160386141 /nfs/dbraw/zinc/38/61/41/160386141.db2.gz HJZDQGXONQRJDH-CXAGYDPISA-N 2 2 328.391 2.181 10 0 EEAELP NC(=O)[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249864899 160386143 /nfs/dbraw/zinc/38/61/43/160386143.db2.gz HJZDQGXONQRJDH-CXAGYDPISA-N 2 2 328.391 2.181 10 0 EEAELP C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073485449 159053470 /nfs/dbraw/zinc/05/34/70/159053470.db2.gz ZCZPTGTUARVNNU-AWEZNQCLSA-N 2 2 327.432 2.327 10 0 EEAELP Cc1ccc2[nH+]cc(CN3CCC([N@H+]4CCO[C@@H](C)C4)CC3)n2c1 ZINC000092091296 159213452 /nfs/dbraw/zinc/21/34/52/159213452.db2.gz GDVOACRDNMRAJK-INIZCTEOSA-N 2 2 328.460 2.328 10 0 EEAELP Cc1ccc2[nH+]cc(CN3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)n2c1 ZINC000092091296 159213455 /nfs/dbraw/zinc/21/34/55/159213455.db2.gz GDVOACRDNMRAJK-INIZCTEOSA-N 2 2 328.460 2.328 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2cnccn2)CC1 ZINC000191962497 160164519 /nfs/dbraw/zinc/16/45/19/160164519.db2.gz ROISENHWIYGCNK-UHFFFAOYSA-N 2 2 334.427 2.293 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@](C)([NH3+])c2ccccc2)cn1 ZINC000192517624 160171449 /nfs/dbraw/zinc/17/14/49/160171449.db2.gz IPKCOMOTTVXMKB-LJQANCHMSA-N 2 2 335.411 2.066 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000247534310 160328048 /nfs/dbraw/zinc/32/80/48/160328048.db2.gz XVSJSHVTAKDSEH-HUUCEWRRSA-N 2 2 326.444 2.294 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247534310 160328049 /nfs/dbraw/zinc/32/80/49/160328049.db2.gz XVSJSHVTAKDSEH-HUUCEWRRSA-N 2 2 326.444 2.294 10 0 EEAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342607926 161077663 /nfs/dbraw/zinc/07/76/63/161077663.db2.gz RWNKUGWUCQLFQN-NVXWUHKLSA-N 2 2 348.491 2.301 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC3(F)CCC3)CC2)CC1 ZINC000344717127 161238940 /nfs/dbraw/zinc/23/89/40/161238940.db2.gz AUXNHJKMGXBCJO-UHFFFAOYSA-N 2 2 340.487 2.127 10 0 EEAELP C[NH+](C)Cc1cnc(C[NH2+]C2(C(=O)Nc3ccccc3)CC2)s1 ZINC000352724205 162261001 /nfs/dbraw/zinc/26/10/01/162261001.db2.gz MBKBFYUAIGMQCY-UHFFFAOYSA-N 2 2 330.457 2.466 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000355410802 163179791 /nfs/dbraw/zinc/17/97/91/163179791.db2.gz LINITQOQSKTSNP-IYBDPMFKSA-N 2 2 326.444 2.420 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2coc3cc(F)ccc23)CC1 ZINC000356272506 163388088 /nfs/dbraw/zinc/38/80/88/163388088.db2.gz VYSXVDOCNUKUJU-UHFFFAOYSA-N 2 2 333.407 2.328 10 0 EEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000171612034 227172978 /nfs/dbraw/zinc/17/29/78/227172978.db2.gz HPMMANCBXGBBLW-GOSISDBHSA-N 2 2 349.438 2.056 10 0 EEAELP Cc1cnn(CCCCC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000183805182 274017447 /nfs/dbraw/zinc/01/74/47/274017447.db2.gz DFRWWBGFOOAHGC-UHFFFAOYSA-N 2 2 328.464 2.282 10 0 EEAELP Cn1ncc2c1nc(NC1CC[NH+](C3CCCCC3)CC1)[nH+]c2N ZINC000278470384 274361191 /nfs/dbraw/zinc/36/11/91/274361191.db2.gz UJPWSTUFFJFYFS-UHFFFAOYSA-N 2 2 329.452 2.155 10 0 EEAELP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107666714 280218251 /nfs/dbraw/zinc/21/82/51/280218251.db2.gz WRHGESWAXYSXNF-KRWDZBQOSA-N 2 2 339.443 2.358 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000347625865 302289828 /nfs/dbraw/zinc/28/98/28/302289828.db2.gz QFDDSZFAPRWJOA-KRWDZBQOSA-N 2 2 345.491 2.096 10 0 EEAELP COc1ccc(C[C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1OC ZINC000414336392 313000627 /nfs/dbraw/zinc/00/06/27/313000627.db2.gz JWLNYMLZWPHBCE-CYBMUJFWSA-N 2 2 332.448 2.224 10 0 EEAELP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416941055 313367834 /nfs/dbraw/zinc/36/78/34/313367834.db2.gz PTVOFDFXLGPENF-AWEZNQCLSA-N 2 2 335.839 2.271 10 0 EEAELP O=C(COc1ccccc1C[NH+]1CCC2(CC[NH2+]2)CC1)N1CCCC1 ZINC000422562950 314283035 /nfs/dbraw/zinc/28/30/35/314283035.db2.gz REDAKBBGFUUXDY-UHFFFAOYSA-N 2 2 343.471 2.016 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC(F)(F)C[NH3+] ZINC000519417924 316779487 /nfs/dbraw/zinc/77/94/87/316779487.db2.gz SNDRPSMOYOXNBC-UHFFFAOYSA-N 2 2 340.418 2.131 10 0 EEAELP O[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 ZINC000527758073 317257576 /nfs/dbraw/zinc/25/75/76/317257576.db2.gz SXMHIKYWAJYHPE-MSOLQXFVSA-N 2 2 338.879 2.434 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530219701 317700955 /nfs/dbraw/zinc/70/09/55/317700955.db2.gz MRODLSDKJUVZPO-XJKSGUPXSA-N 2 2 337.489 2.383 10 0 EEAELP C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000543692773 318166078 /nfs/dbraw/zinc/16/60/78/318166078.db2.gz YLVXWPLELNDUEP-RHSMWYFYSA-N 2 2 327.432 2.068 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000544016450 318178722 /nfs/dbraw/zinc/17/87/22/318178722.db2.gz GXDQUUAGAQKQGX-RHSMWYFYSA-N 2 2 342.443 2.271 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000563464268 319014029 /nfs/dbraw/zinc/01/40/29/319014029.db2.gz YMBCQFGJVRBRFO-RVKKMQEKSA-N 2 2 346.475 2.199 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000565157058 319153686 /nfs/dbraw/zinc/15/36/86/319153686.db2.gz KZNMDZPTMBDXLL-OLZOCXBDSA-N 2 2 344.381 2.010 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000565157058 319153689 /nfs/dbraw/zinc/15/36/89/319153689.db2.gz KZNMDZPTMBDXLL-OLZOCXBDSA-N 2 2 344.381 2.010 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000565172250 319156887 /nfs/dbraw/zinc/15/68/87/319156887.db2.gz LQRRGXDTHFQZPD-RMKNXTFCSA-N 2 2 327.472 2.186 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccncc1Cl ZINC000565827387 319217892 /nfs/dbraw/zinc/21/78/92/319217892.db2.gz AZGQVILBBOWRFR-SWLSCSKDSA-N 2 2 347.850 2.310 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)Cn3cc[nH+]c3)C2)s1 ZINC000567358452 319373217 /nfs/dbraw/zinc/37/32/17/319373217.db2.gz QYOVSFKFOVJSJP-OAHLLOKOSA-N 2 2 332.473 2.234 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)Cn3cc[nH+]c3)C2)s1 ZINC000567358452 319373218 /nfs/dbraw/zinc/37/32/18/319373218.db2.gz QYOVSFKFOVJSJP-OAHLLOKOSA-N 2 2 332.473 2.234 10 0 EEAELP CC(C)NC(=O)NCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000575398024 320104157 /nfs/dbraw/zinc/10/41/57/320104157.db2.gz XUABMQNLOKMWRW-OAHLLOKOSA-N 2 2 333.480 2.106 10 0 EEAELP CC(C)NC(=O)NCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000575398024 320104160 /nfs/dbraw/zinc/10/41/60/320104160.db2.gz XUABMQNLOKMWRW-OAHLLOKOSA-N 2 2 333.480 2.106 10 0 EEAELP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC(=O)NC3(C)C)[nH+]c2)CC1 ZINC000576291380 320158645 /nfs/dbraw/zinc/15/86/45/320158645.db2.gz SHUYKJFGVPBZFB-MRXNPFEDSA-N 2 2 345.491 2.081 10 0 EEAELP c1ccc(C[NH+]2CC[C@H](NCC[N@@H+]3CCCOCC3)CC23CC3)cc1 ZINC000577063197 320228666 /nfs/dbraw/zinc/22/86/66/320228666.db2.gz XTLJOZZOEIHALL-FQEVSTJZSA-N 2 2 343.515 2.496 10 0 EEAELP c1ccc(C[NH+]2CC[C@H](NCC[N@H+]3CCCOCC3)CC23CC3)cc1 ZINC000577063197 320228668 /nfs/dbraw/zinc/22/86/68/320228668.db2.gz XTLJOZZOEIHALL-FQEVSTJZSA-N 2 2 343.515 2.496 10 0 EEAELP c1ccc(C[N@H+]2CC[C@H](NCC[NH+]3CCCOCC3)CC23CC3)cc1 ZINC000577063197 320228669 /nfs/dbraw/zinc/22/86/69/320228669.db2.gz XTLJOZZOEIHALL-FQEVSTJZSA-N 2 2 343.515 2.496 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCCOCC3)CC23CC3)cc1 ZINC000577063197 320228670 /nfs/dbraw/zinc/22/86/70/320228670.db2.gz XTLJOZZOEIHALL-FQEVSTJZSA-N 2 2 343.515 2.496 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577223007 320243309 /nfs/dbraw/zinc/24/33/09/320243309.db2.gz VMONDSGIUDQKCQ-YHYOWMERSA-N 2 2 341.377 2.093 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577223007 320243311 /nfs/dbraw/zinc/24/33/11/320243311.db2.gz VMONDSGIUDQKCQ-YHYOWMERSA-N 2 2 341.377 2.093 10 0 EEAELP OC1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580714403 324117076 /nfs/dbraw/zinc/11/70/76/324117076.db2.gz ZXTLSQXBVFVRGW-IBGZPJMESA-N 2 2 343.515 2.230 10 0 EEAELP OC1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000580714403 324117083 /nfs/dbraw/zinc/11/70/83/324117083.db2.gz ZXTLSQXBVFVRGW-IBGZPJMESA-N 2 2 343.515 2.230 10 0 EEAELP C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580955723 324158651 /nfs/dbraw/zinc/15/86/51/324158651.db2.gz BNYVOVGOHDSMIQ-UHFFFAOYSA-N 2 2 344.480 2.368 10 0 EEAELP C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580955723 324158654 /nfs/dbraw/zinc/15/86/54/324158654.db2.gz BNYVOVGOHDSMIQ-UHFFFAOYSA-N 2 2 344.480 2.368 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000581186404 324202435 /nfs/dbraw/zinc/20/24/35/324202435.db2.gz MOENEMNHPRBKPX-WOJBJXKFSA-N 2 2 344.499 2.487 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCOC2(CCCC2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000581186404 324202439 /nfs/dbraw/zinc/20/24/39/324202439.db2.gz MOENEMNHPRBKPX-WOJBJXKFSA-N 2 2 344.499 2.487 10 0 EEAELP CS(=O)(=O)CC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000583789250 324731778 /nfs/dbraw/zinc/73/17/78/324731778.db2.gz YWAFNTMEKFPODW-UHFFFAOYSA-N 2 2 339.486 2.190 10 0 EEAELP Cc1nc(NC[C@@H](C)[N@@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000532014723 448182654 /nfs/dbraw/zinc/18/26/54/448182654.db2.gz MRNBJRGBHWOIRW-LLVKDONJSA-N 2 2 332.477 2.166 10 0 EEAELP Cc1nc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000532014723 448182660 /nfs/dbraw/zinc/18/26/60/448182660.db2.gz MRNBJRGBHWOIRW-LLVKDONJSA-N 2 2 332.477 2.166 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)CC2 ZINC000625978653 450548012 /nfs/dbraw/zinc/54/80/12/450548012.db2.gz WSOSLSBOJUBUQK-HNNXBMFYSA-N 2 2 327.432 2.076 10 0 EEAELP CC[NH+]1CCN([C@H](C)CNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623858313 450616761 /nfs/dbraw/zinc/61/67/61/450616761.db2.gz IIQHDXOLZXUFME-OAHLLOKOSA-N 2 2 338.459 2.320 10 0 EEAELP COCC[N@@H+]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000623951183 450649350 /nfs/dbraw/zinc/64/93/50/450649350.db2.gz CFVQPBNCCLIABT-AWEZNQCLSA-N 2 2 325.416 2.405 10 0 EEAELP COCC[N@H+]1CCC[C@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000623951183 450649353 /nfs/dbraw/zinc/64/93/53/450649353.db2.gz CFVQPBNCCLIABT-AWEZNQCLSA-N 2 2 325.416 2.405 10 0 EEAELP C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624392681 450828544 /nfs/dbraw/zinc/82/85/44/450828544.db2.gz XCUHYDHBFQIBHQ-KGLIPLIRSA-N 2 2 325.416 2.404 10 0 EEAELP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNc1nc2ccccc2n2c[nH+]cc12 ZINC000624392681 450828548 /nfs/dbraw/zinc/82/85/48/450828548.db2.gz XCUHYDHBFQIBHQ-KGLIPLIRSA-N 2 2 325.416 2.404 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000341402524 465148720 /nfs/dbraw/zinc/14/87/20/465148720.db2.gz MRURFGQYRUBSNV-IAGOWNOFSA-N 2 2 348.491 2.370 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000341402523 465148914 /nfs/dbraw/zinc/14/89/14/465148914.db2.gz MRURFGQYRUBSNV-CALCHBBNSA-N 2 2 348.491 2.370 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000341402523 465148915 /nfs/dbraw/zinc/14/89/15/465148915.db2.gz MRURFGQYRUBSNV-CALCHBBNSA-N 2 2 348.491 2.370 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)S(C)(=O)=O ZINC000578891347 468275533 /nfs/dbraw/zinc/27/55/33/468275533.db2.gz LQWABAKLXQYGKH-RDJZCZTQSA-N 2 2 336.501 2.206 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)S(C)(=O)=O ZINC000578891347 468275540 /nfs/dbraw/zinc/27/55/40/468275540.db2.gz LQWABAKLXQYGKH-RDJZCZTQSA-N 2 2 336.501 2.206 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000568245052 468307588 /nfs/dbraw/zinc/30/75/88/468307588.db2.gz BVNXCWPFZKVNGQ-SHPPYHEDSA-N 2 2 327.472 2.163 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000568245052 468307594 /nfs/dbraw/zinc/30/75/94/468307594.db2.gz BVNXCWPFZKVNGQ-SHPPYHEDSA-N 2 2 327.472 2.163 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCNc2cccc[nH+]2)[C@H](C)C1 ZINC000128413309 462637891 /nfs/dbraw/zinc/63/78/91/462637891.db2.gz RCALODMTRGXFPB-CVEARBPZSA-N 2 2 333.480 2.255 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCNc2cccc[nH+]2)[C@H](C)C1 ZINC000128413309 462637897 /nfs/dbraw/zinc/63/78/97/462637897.db2.gz RCALODMTRGXFPB-CVEARBPZSA-N 2 2 333.480 2.255 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000090003892 462764620 /nfs/dbraw/zinc/76/46/20/462764620.db2.gz ZCUHKWRKZWNYQZ-AWEZNQCLSA-N 2 2 338.415 2.320 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000090003892 462764626 /nfs/dbraw/zinc/76/46/26/462764626.db2.gz ZCUHKWRKZWNYQZ-AWEZNQCLSA-N 2 2 338.415 2.320 10 0 EEAELP FC(F)(F)c1ccc(O[C@@H]2CC[N@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000093329187 463026375 /nfs/dbraw/zinc/02/63/75/463026375.db2.gz PGHQCIAHJVDICZ-CYBMUJFWSA-N 2 2 326.322 2.450 10 0 EEAELP FC(F)(F)c1ccc(O[C@@H]2CC[N@@H+](CCn3cc[nH+]c3)C2)nc1 ZINC000093329187 463026380 /nfs/dbraw/zinc/02/63/80/463026380.db2.gz PGHQCIAHJVDICZ-CYBMUJFWSA-N 2 2 326.322 2.450 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000157219595 463108954 /nfs/dbraw/zinc/10/89/54/463108954.db2.gz VDYHHMAFNYAUSZ-FHWLQOOXSA-N 2 2 349.519 2.107 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000157219595 463108960 /nfs/dbraw/zinc/10/89/60/463108960.db2.gz VDYHHMAFNYAUSZ-FHWLQOOXSA-N 2 2 349.519 2.107 10 0 EEAELP O=C(c1ccccc1F)N1CCC([NH2+][C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000096013566 463141488 /nfs/dbraw/zinc/14/14/88/463141488.db2.gz INMSHVMHLBDNSR-GOSISDBHSA-N 2 2 331.435 2.114 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000568497488 468346067 /nfs/dbraw/zinc/34/60/67/468346067.db2.gz ACLKGJKKQDVICJ-LEOMRAHMSA-N 2 2 344.459 2.261 10 0 EEAELP O=C(N[C@H]1CCCN(c2cccc[nH+]2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000097136141 463332247 /nfs/dbraw/zinc/33/22/47/463332247.db2.gz AOXDSLWNGFBLPJ-FUHWJXTLSA-N 2 2 328.460 2.041 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000105896675 463492495 /nfs/dbraw/zinc/49/24/95/463492495.db2.gz AIZVTNFUFMWKSF-CQSZACIVSA-N 2 2 331.420 2.408 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000105896675 463492500 /nfs/dbraw/zinc/49/25/00/463492500.db2.gz AIZVTNFUFMWKSF-CQSZACIVSA-N 2 2 331.420 2.408 10 0 EEAELP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000108547617 463614088 /nfs/dbraw/zinc/61/40/88/463614088.db2.gz KFNWPTOLROQIPH-LBPRGKRZSA-N 2 2 335.839 2.129 10 0 EEAELP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000108547617 463614092 /nfs/dbraw/zinc/61/40/92/463614092.db2.gz KFNWPTOLROQIPH-LBPRGKRZSA-N 2 2 335.839 2.129 10 0 EEAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000261877318 463886513 /nfs/dbraw/zinc/88/65/13/463886513.db2.gz DWHLDMSYJLAXMS-NJDAHSKKSA-N 3 2 343.515 2.398 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(=O)n2cccc(C)c2n1 ZINC000178747201 463960120 /nfs/dbraw/zinc/96/01/20/463960120.db2.gz ZIQQXZPMOGLBKH-QGZVFWFLSA-N 2 2 337.427 2.172 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(=O)n2cccc(C)c2n1 ZINC000178747201 463960123 /nfs/dbraw/zinc/96/01/23/463960123.db2.gz ZIQQXZPMOGLBKH-QGZVFWFLSA-N 2 2 337.427 2.172 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2cccnc2)cc1 ZINC000181281157 464465238 /nfs/dbraw/zinc/46/52/38/464465238.db2.gz WILUULWXIBRDGN-INIZCTEOSA-N 2 2 338.455 2.173 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1 ZINC000190006109 464583540 /nfs/dbraw/zinc/58/35/40/464583540.db2.gz INIXUHARJHCNIB-CVEARBPZSA-N 2 2 337.512 2.165 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(C(C)C)n2C)[C@H](C)C1 ZINC000190006109 464583543 /nfs/dbraw/zinc/58/35/43/464583543.db2.gz INIXUHARJHCNIB-CVEARBPZSA-N 2 2 337.512 2.165 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000182157408 464586249 /nfs/dbraw/zinc/58/62/49/464586249.db2.gz NCOMQRXLYAYYKQ-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000182157408 464586254 /nfs/dbraw/zinc/58/62/54/464586254.db2.gz NCOMQRXLYAYYKQ-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281850861 464608959 /nfs/dbraw/zinc/60/89/59/464608959.db2.gz BDLVMGCRJUGDCU-OAHLLOKOSA-N 2 2 327.432 2.212 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@H]1Cn1cccn1 ZINC000247975125 464719079 /nfs/dbraw/zinc/71/90/79/464719079.db2.gz IIMHUQDZXUDPNC-VQTJNVASSA-N 2 2 342.487 2.231 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC[C@H]1Cn1cccn1 ZINC000247975125 464719082 /nfs/dbraw/zinc/71/90/82/464719082.db2.gz IIMHUQDZXUDPNC-VQTJNVASSA-N 2 2 342.487 2.231 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000247975125 464719086 /nfs/dbraw/zinc/71/90/86/464719086.db2.gz IIMHUQDZXUDPNC-VQTJNVASSA-N 2 2 342.487 2.231 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000247975125 464719089 /nfs/dbraw/zinc/71/90/89/464719089.db2.gz IIMHUQDZXUDPNC-VQTJNVASSA-N 2 2 342.487 2.231 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000183075106 464790065 /nfs/dbraw/zinc/79/00/65/464790065.db2.gz JOXQRCXKWOPETE-HZPDHXFCSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000183075106 464790071 /nfs/dbraw/zinc/79/00/71/464790071.db2.gz JOXQRCXKWOPETE-HZPDHXFCSA-N 2 2 333.480 2.165 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@@H]3C)cn21 ZINC000176587865 464806954 /nfs/dbraw/zinc/80/69/54/464806954.db2.gz IGUFJIYCEOVSNO-XJKSGUPXSA-N 2 2 329.448 2.171 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@@H]3C)cn21 ZINC000176587865 464806963 /nfs/dbraw/zinc/80/69/63/464806963.db2.gz IGUFJIYCEOVSNO-XJKSGUPXSA-N 2 2 329.448 2.171 10 0 EEAELP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[C@@H](C)C[N@@H+]1C ZINC000330988994 465887138 /nfs/dbraw/zinc/88/71/38/465887138.db2.gz XVDYUMHGZTXGJG-NEPJUHHUSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[C@@H](C)C[N@H+]1C ZINC000330988994 465887140 /nfs/dbraw/zinc/88/71/40/465887140.db2.gz XVDYUMHGZTXGJG-NEPJUHHUSA-N 2 2 349.385 2.370 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346172071 465959299 /nfs/dbraw/zinc/95/92/99/465959299.db2.gz MBPLUJTYUWKQIJ-LBPRGKRZSA-N 2 2 327.475 2.189 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346172071 465959308 /nfs/dbraw/zinc/95/93/08/465959308.db2.gz MBPLUJTYUWKQIJ-LBPRGKRZSA-N 2 2 327.475 2.189 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000358186376 466523388 /nfs/dbraw/zinc/52/33/88/466523388.db2.gz IWDVXUDWZYZONX-UHFFFAOYSA-N 2 2 331.464 2.225 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000358186376 466523395 /nfs/dbraw/zinc/52/33/95/466523395.db2.gz IWDVXUDWZYZONX-UHFFFAOYSA-N 2 2 331.464 2.225 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)s1 ZINC000597254704 468497353 /nfs/dbraw/zinc/49/73/53/468497353.db2.gz PXYIYNNJAUDKDS-LBPRGKRZSA-N 2 2 334.445 2.351 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)s1 ZINC000597254704 468497355 /nfs/dbraw/zinc/49/73/55/468497355.db2.gz PXYIYNNJAUDKDS-LBPRGKRZSA-N 2 2 334.445 2.351 10 0 EEAELP OC(C[NH+]1CCS[C@@H]2CCC[C@@H]21)C[N@@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000408514948 466672026 /nfs/dbraw/zinc/67/20/26/466672026.db2.gz GTRNAQGREGZNEI-MWDXBVQZSA-N 2 2 342.574 2.287 10 0 EEAELP OC(C[NH+]1CCS[C@@H]2CCC[C@@H]21)C[N@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000408514948 466672030 /nfs/dbraw/zinc/67/20/30/466672030.db2.gz GTRNAQGREGZNEI-MWDXBVQZSA-N 2 2 342.574 2.287 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000373308107 466761916 /nfs/dbraw/zinc/76/19/16/466761916.db2.gz ZPDKNYYQRNYCIX-KDOFPFPSSA-N 2 2 333.480 2.227 10 0 EEAELP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417059702 466767201 /nfs/dbraw/zinc/76/72/01/466767201.db2.gz AIMOJKJCPURQFG-HNNXBMFYSA-N 2 2 329.448 2.248 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417943137 466995924 /nfs/dbraw/zinc/99/59/24/466995924.db2.gz OMGLPAVILMUDGG-CABCVRRESA-N 2 2 342.846 2.085 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417943137 466995929 /nfs/dbraw/zinc/99/59/29/466995929.db2.gz OMGLPAVILMUDGG-CABCVRRESA-N 2 2 342.846 2.085 10 0 EEAELP Cn1ccc([C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(F)cc2)n1 ZINC000427883025 467184190 /nfs/dbraw/zinc/18/41/90/467184190.db2.gz PPMOQFRBFRAYEU-CRAIPNDOSA-N 2 2 325.391 2.450 10 0 EEAELP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000378118698 467202876 /nfs/dbraw/zinc/20/28/76/467202876.db2.gz PUJGWWURFZTBBH-HNNXBMFYSA-N 2 2 344.463 2.187 10 0 EEAELP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000378118698 467202877 /nfs/dbraw/zinc/20/28/77/467202877.db2.gz PUJGWWURFZTBBH-HNNXBMFYSA-N 2 2 344.463 2.187 10 0 EEAELP Cc1nc(N(C)C2CC[NH+](CCC(F)(F)F)CC2)nc(N(C)C)[nH+]1 ZINC000450949639 467213275 /nfs/dbraw/zinc/21/32/75/467213275.db2.gz KGUSHXUPOYOMES-UHFFFAOYSA-N 2 2 346.401 2.099 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429038851 467296104 /nfs/dbraw/zinc/29/61/04/467296104.db2.gz GNTJGFOOHPEWDH-YLJYHZDGSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429038851 467296108 /nfs/dbraw/zinc/29/61/08/467296108.db2.gz GNTJGFOOHPEWDH-YLJYHZDGSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429038851 467296110 /nfs/dbraw/zinc/29/61/10/467296110.db2.gz GNTJGFOOHPEWDH-YLJYHZDGSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429038851 467296113 /nfs/dbraw/zinc/29/61/13/467296113.db2.gz GNTJGFOOHPEWDH-YLJYHZDGSA-N 2 2 329.488 2.070 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420358102 467375774 /nfs/dbraw/zinc/37/57/74/467375774.db2.gz DXJRGWHDRVWNAV-UXHICEINSA-N 2 2 327.472 2.329 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420358102 467375776 /nfs/dbraw/zinc/37/57/76/467375776.db2.gz DXJRGWHDRVWNAV-UXHICEINSA-N 2 2 327.472 2.329 10 0 EEAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000414128401 467380291 /nfs/dbraw/zinc/38/02/91/467380291.db2.gz UAIRSDFPVWYFKB-RYUDHWBXSA-N 2 2 342.281 2.072 10 0 EEAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000414128401 467380294 /nfs/dbraw/zinc/38/02/94/467380294.db2.gz UAIRSDFPVWYFKB-RYUDHWBXSA-N 2 2 342.281 2.072 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420376410 467384520 /nfs/dbraw/zinc/38/45/20/467384520.db2.gz OZDMQRAGVBGNTO-LJQANCHMSA-N 2 2 333.451 2.250 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420376410 467384525 /nfs/dbraw/zinc/38/45/25/467384525.db2.gz OZDMQRAGVBGNTO-LJQANCHMSA-N 2 2 333.451 2.250 10 0 EEAELP CCC[NH2+]CCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414727686 467433697 /nfs/dbraw/zinc/43/36/97/467433697.db2.gz AUFUDHQFWOMPLM-UHFFFAOYSA-N 2 2 325.482 2.250 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(OC)c1 ZINC000414908059 467446864 /nfs/dbraw/zinc/44/68/64/467446864.db2.gz AYGGCQHVNOZCOR-HEHGZKQESA-N 2 2 335.448 2.009 10 0 EEAELP CCn1cnnc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449081516 467616937 /nfs/dbraw/zinc/61/69/37/467616937.db2.gz FXGVMVACHAYGSX-MRXNPFEDSA-N 2 2 327.476 2.483 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)c[nH+]1 ZINC000449359945 467633571 /nfs/dbraw/zinc/63/35/71/467633571.db2.gz SBKJOFVMVKPIPV-MRXNPFEDSA-N 2 2 330.453 2.483 10 0 EEAELP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000529291028 467839875 /nfs/dbraw/zinc/83/98/75/467839875.db2.gz WTPPDRDWPLDXCO-CQSZACIVSA-N 2 2 335.839 2.127 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000485349658 468010110 /nfs/dbraw/zinc/01/01/10/468010110.db2.gz YUKXPIZGLUUMRS-MXDZQPNWSA-N 2 2 345.531 2.488 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000485349658 468010111 /nfs/dbraw/zinc/01/01/11/468010111.db2.gz YUKXPIZGLUUMRS-MXDZQPNWSA-N 2 2 345.531 2.488 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000485349658 468010112 /nfs/dbraw/zinc/01/01/12/468010112.db2.gz YUKXPIZGLUUMRS-MXDZQPNWSA-N 2 2 345.531 2.488 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@H]21 ZINC000485349658 468010114 /nfs/dbraw/zinc/01/01/14/468010114.db2.gz YUKXPIZGLUUMRS-MXDZQPNWSA-N 2 2 345.531 2.488 10 0 EEAELP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000518376165 468113970 /nfs/dbraw/zinc/11/39/70/468113970.db2.gz OLIYVVZPRSHWJY-CYBMUJFWSA-N 3 2 344.463 2.176 10 0 EEAELP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000518376165 468113972 /nfs/dbraw/zinc/11/39/72/468113972.db2.gz OLIYVVZPRSHWJY-CYBMUJFWSA-N 3 2 344.463 2.176 10 0 EEAELP CC(C)([NH3+])c1noc(CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000518376165 468113973 /nfs/dbraw/zinc/11/39/73/468113973.db2.gz OLIYVVZPRSHWJY-CYBMUJFWSA-N 2 2 344.463 2.176 10 0 EEAELP COC(C)(C)C[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000533342048 468193228 /nfs/dbraw/zinc/19/32/28/468193228.db2.gz SKHAFDHTZWIZOF-KRWDZBQOSA-N 2 2 347.503 2.249 10 0 EEAELP COC(C)(C)C[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000533342048 468193231 /nfs/dbraw/zinc/19/32/31/468193231.db2.gz SKHAFDHTZWIZOF-KRWDZBQOSA-N 2 2 347.503 2.249 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]1 ZINC000568059239 468266617 /nfs/dbraw/zinc/26/66/17/468266617.db2.gz DASYJUOLMSOXQD-OAGGEKHMSA-N 2 2 345.491 2.249 10 0 EEAELP COC(=O)c1oc([C@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000592184577 468647670 /nfs/dbraw/zinc/64/76/70/468647670.db2.gz NMFIAJNWNQSOCV-AWEZNQCLSA-N 2 2 336.432 2.232 10 0 EEAELP COC(=O)c1oc([C@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000592184577 468647674 /nfs/dbraw/zinc/64/76/74/468647674.db2.gz NMFIAJNWNQSOCV-AWEZNQCLSA-N 2 2 336.432 2.232 10 0 EEAELP CCc1ccc(C[NH+]2CCN(c3nc[nH+]c(N)c3OC)CC2)s1 ZINC000571417765 468787347 /nfs/dbraw/zinc/78/73/47/468787347.db2.gz OTDNTKKNNFWOQN-UHFFFAOYSA-N 2 2 333.461 2.014 10 0 EEAELP COC(=O)Cc1cc[nH+]c(NCc2ccccc2OCC[NH+](C)C)c1 ZINC000596118037 469163738 /nfs/dbraw/zinc/16/37/38/469163738.db2.gz MRWQDIGQZJSBDW-UHFFFAOYSA-N 2 2 343.427 2.350 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000563231977 469207870 /nfs/dbraw/zinc/20/78/70/469207870.db2.gz RGRWHWRQACBDDP-AWEZNQCLSA-N 2 2 334.460 2.219 10 0 EEAELP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000615650162 469291645 /nfs/dbraw/zinc/29/16/45/469291645.db2.gz FWGXFMCNMBACGP-WBAXXEDZSA-N 2 2 340.427 2.349 10 0 EEAELP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000615650162 469291649 /nfs/dbraw/zinc/29/16/49/469291649.db2.gz FWGXFMCNMBACGP-WBAXXEDZSA-N 2 2 340.427 2.349 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOc3ccccc3[C@@H]2C)CC1 ZINC000603933762 469448135 /nfs/dbraw/zinc/44/81/35/469448135.db2.gz WYQQMEGJQDBOSH-INIZCTEOSA-N 2 2 345.487 2.431 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOc3ccccc3[C@@H]2C)CC1 ZINC000603933762 469448137 /nfs/dbraw/zinc/44/81/37/469448137.db2.gz WYQQMEGJQDBOSH-INIZCTEOSA-N 2 2 345.487 2.431 10 0 EEAELP CC(C)[C@@H](C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)[NH+](C)C ZINC000629385186 469527317 /nfs/dbraw/zinc/52/73/17/469527317.db2.gz SRCFHUOTUXCVDB-IBGZPJMESA-N 2 2 342.487 2.398 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629585029 469585345 /nfs/dbraw/zinc/58/53/45/469585345.db2.gz YHHAKAINBYFYFR-BGYRXZFFSA-N 2 2 329.488 2.139 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629585029 469585350 /nfs/dbraw/zinc/58/53/50/469585350.db2.gz YHHAKAINBYFYFR-BGYRXZFFSA-N 2 2 329.488 2.139 10 0 EEAELP CN(C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CCCc2ccccc21 ZINC000629583751 469585365 /nfs/dbraw/zinc/58/53/65/469585365.db2.gz DVKUSQNRXDQYKN-SESVDKBCSA-N 2 2 341.499 2.454 10 0 EEAELP CN(C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@H]1CCCc2ccccc21 ZINC000629583751 469585370 /nfs/dbraw/zinc/58/53/70/469585370.db2.gz DVKUSQNRXDQYKN-SESVDKBCSA-N 2 2 341.499 2.454 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623445424 469658600 /nfs/dbraw/zinc/65/86/00/469658600.db2.gz QVEWCZSCLGOFKK-GJZGRUSLSA-N 2 2 331.460 2.263 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623445424 469658601 /nfs/dbraw/zinc/65/86/01/469658601.db2.gz QVEWCZSCLGOFKK-GJZGRUSLSA-N 2 2 331.460 2.263 10 0 EEAELP C[NH+]1CC[C@H](NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1(C)C ZINC000623574716 469699161 /nfs/dbraw/zinc/69/91/61/469699161.db2.gz VNNDLLPUWKXWKY-PMACEKPBSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CC[C@H](NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1(C)C ZINC000623574716 469699168 /nfs/dbraw/zinc/69/91/68/469699168.db2.gz VNNDLLPUWKXWKY-PMACEKPBSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CCN(Cc2ccccc2)[C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623574716 469699174 /nfs/dbraw/zinc/69/91/74/469699174.db2.gz VNNDLLPUWKXWKY-PMACEKPBSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CCN(Cc2ccccc2)[C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623574716 469699176 /nfs/dbraw/zinc/69/91/76/469699176.db2.gz VNNDLLPUWKXWKY-PMACEKPBSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000617767924 469798463 /nfs/dbraw/zinc/79/84/63/469798463.db2.gz IJKKOBCEKBGQFE-UHFFFAOYSA-N 2 2 335.467 2.247 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccc(F)cc2)CCC1 ZINC000617767924 469798465 /nfs/dbraw/zinc/79/84/65/469798465.db2.gz IJKKOBCEKBGQFE-UHFFFAOYSA-N 2 2 335.467 2.247 10 0 EEAELP Cc1nc(C(C)(C)C)sc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767346 469799402 /nfs/dbraw/zinc/79/94/02/469799402.db2.gz QIICZVKIAPKNIU-UHFFFAOYSA-N 2 2 340.537 2.362 10 0 EEAELP Cc1nc(C(C)(C)C)sc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767346 469799403 /nfs/dbraw/zinc/79/94/03/469799403.db2.gz QIICZVKIAPKNIU-UHFFFAOYSA-N 2 2 340.537 2.362 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000624017169 469817651 /nfs/dbraw/zinc/81/76/51/469817651.db2.gz RKDVWORRYPXQLO-SXLOBPIMSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000624017169 469817657 /nfs/dbraw/zinc/81/76/57/469817657.db2.gz RKDVWORRYPXQLO-SXLOBPIMSA-N 2 2 331.504 2.350 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091787 469848103 /nfs/dbraw/zinc/84/81/03/469848103.db2.gz BLFGZDQESAOATE-KBPBESRZSA-N 2 2 325.453 2.068 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)CC2 ZINC000624712798 470006865 /nfs/dbraw/zinc/00/68/65/470006865.db2.gz NZNZPTFEROFIGM-ZWKOTPCHSA-N 2 2 340.471 2.481 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)n(CC2CCC2)n1 ZINC000631075237 470062413 /nfs/dbraw/zinc/06/24/13/470062413.db2.gz ONKUXKSZUOATBQ-KRWDZBQOSA-N 2 2 332.492 2.274 10 0 EEAELP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000631634572 470175557 /nfs/dbraw/zinc/17/55/57/470175557.db2.gz KUUNQJVKQVTVHN-WBVHZDCISA-N 2 2 334.460 2.345 10 0 EEAELP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000631634572 470175558 /nfs/dbraw/zinc/17/55/58/470175558.db2.gz KUUNQJVKQVTVHN-WBVHZDCISA-N 2 2 334.460 2.345 10 0 EEAELP Cn1c2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2oc1=O ZINC000631830289 470186157 /nfs/dbraw/zinc/18/61/57/470186157.db2.gz OJNWTXBVNCLPIJ-NEPJUHHUSA-N 2 2 343.349 2.091 10 0 EEAELP Cn1c2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2oc1=O ZINC000631830289 470186158 /nfs/dbraw/zinc/18/61/58/470186158.db2.gz OJNWTXBVNCLPIJ-NEPJUHHUSA-N 2 2 343.349 2.091 10 0 EEAELP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832986 470186315 /nfs/dbraw/zinc/18/63/15/470186315.db2.gz QPLWJCWPCOWIBJ-NVXWUHKLSA-N 2 2 342.487 2.418 10 0 EEAELP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832986 470186316 /nfs/dbraw/zinc/18/63/16/470186316.db2.gz QPLWJCWPCOWIBJ-NVXWUHKLSA-N 2 2 342.487 2.418 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631889864 470189592 /nfs/dbraw/zinc/18/95/92/470189592.db2.gz KMTQSTJNWPDZBI-AEFFLSMTSA-N 2 2 336.501 2.233 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631889864 470189593 /nfs/dbraw/zinc/18/95/93/470189593.db2.gz KMTQSTJNWPDZBI-AEFFLSMTSA-N 2 2 336.501 2.233 10 0 EEAELP C[C@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1cccnc1 ZINC000634195529 470230662 /nfs/dbraw/zinc/23/06/62/470230662.db2.gz CEBXDTCYTJKRNX-OAHLLOKOSA-N 2 2 339.443 2.361 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634712146 470284065 /nfs/dbraw/zinc/28/40/65/470284065.db2.gz ZQPBNVROJNNJKY-TTYHFUOFSA-N 2 2 332.488 2.009 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634712146 470284067 /nfs/dbraw/zinc/28/40/67/470284067.db2.gz ZQPBNVROJNNJKY-TTYHFUOFSA-N 2 2 332.488 2.009 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648722632 470324808 /nfs/dbraw/zinc/32/48/08/470324808.db2.gz BXKJPUBLTZQECG-OAGGEKHMSA-N 2 2 336.480 2.012 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648722632 470324811 /nfs/dbraw/zinc/32/48/11/470324811.db2.gz BXKJPUBLTZQECG-OAGGEKHMSA-N 2 2 336.480 2.012 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000644548211 470979238 /nfs/dbraw/zinc/97/92/38/470979238.db2.gz URYMPDSUZBLMHI-AWEZNQCLSA-N 2 2 340.265 2.462 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000644548211 470979242 /nfs/dbraw/zinc/97/92/42/470979242.db2.gz URYMPDSUZBLMHI-AWEZNQCLSA-N 2 2 340.265 2.462 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899421 471010405 /nfs/dbraw/zinc/01/04/05/471010405.db2.gz JTDBNIMQQPDRJA-MJGOQNOKSA-N 2 2 345.487 2.118 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899421 471010407 /nfs/dbraw/zinc/01/04/07/471010407.db2.gz JTDBNIMQQPDRJA-MJGOQNOKSA-N 2 2 345.487 2.118 10 0 EEAELP C[N@@H+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](c2ccccc2)C1 ZINC000651050456 471034239 /nfs/dbraw/zinc/03/42/39/471034239.db2.gz WWFIPDVSWOXWHW-SFHVURJKSA-N 2 2 338.455 2.277 10 0 EEAELP C[N@H+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H](c2ccccc2)C1 ZINC000651050456 471034242 /nfs/dbraw/zinc/03/42/42/471034242.db2.gz WWFIPDVSWOXWHW-SFHVURJKSA-N 2 2 338.455 2.277 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651113186 471055131 /nfs/dbraw/zinc/05/51/31/471055131.db2.gz FTVWPADJGRNIJY-HZPDHXFCSA-N 2 2 332.492 2.246 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccnn1-c1ccc(F)cc1)CCO2 ZINC000648071955 471077123 /nfs/dbraw/zinc/07/71/23/471077123.db2.gz CSYAMOCJGDBNKW-UHFFFAOYSA-N 2 2 344.434 2.308 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)CCO2 ZINC000648071955 471077130 /nfs/dbraw/zinc/07/71/30/471077130.db2.gz CSYAMOCJGDBNKW-UHFFFAOYSA-N 2 2 344.434 2.308 10 0 EEAELP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)nnn1C1CCC1 ZINC000657292582 471086462 /nfs/dbraw/zinc/08/64/62/471086462.db2.gz AKODXIQMRWNKNO-UHFFFAOYSA-N 2 2 341.459 2.125 10 0 EEAELP OC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(Br)c1 ZINC000657398374 471125283 /nfs/dbraw/zinc/12/52/83/471125283.db2.gz BYQIOTWHALNOJP-CQSZACIVSA-N 2 2 336.233 2.415 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H]3CCCn4nccc43)c2cc1C ZINC000657917937 471248110 /nfs/dbraw/zinc/24/81/10/471248110.db2.gz MKDDESBSCBXXAT-HOTGVXAUSA-N 2 2 339.443 2.335 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000652177203 471250821 /nfs/dbraw/zinc/25/08/21/471250821.db2.gz CKPKLNVXPBCCBG-QGZVFWFLSA-N 2 2 344.434 2.320 10 0 EEAELP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658114661 471267134 /nfs/dbraw/zinc/26/71/34/471267134.db2.gz KZXSAYCRNZVYEQ-SXLOBPIMSA-N 2 2 347.503 2.202 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655470748 471339778 /nfs/dbraw/zinc/33/97/78/471339778.db2.gz NOFUSDAUFBNJHE-WBVHZDCISA-N 2 2 339.842 2.483 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655470748 471339780 /nfs/dbraw/zinc/33/97/80/471339780.db2.gz NOFUSDAUFBNJHE-WBVHZDCISA-N 2 2 339.842 2.483 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000660486960 471361845 /nfs/dbraw/zinc/36/18/45/471361845.db2.gz NADCPTFEYJEMSR-IBGZPJMESA-N 2 2 349.494 2.354 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000660486960 471361849 /nfs/dbraw/zinc/36/18/49/471361849.db2.gz NADCPTFEYJEMSR-IBGZPJMESA-N 2 2 349.494 2.354 10 0 EEAELP C[C@@H](NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1[nH+]ccn1C ZINC000663443642 471379884 /nfs/dbraw/zinc/37/98/84/471379884.db2.gz HGYBYNDQGSDIQC-IUODEOHRSA-N 2 2 333.411 2.222 10 0 EEAELP CCN(C(=O)NCCCn1c(C)[nH+]c2ccccc21)[C@@H]1CC[N@@H+](C)C1 ZINC000663457129 471387415 /nfs/dbraw/zinc/38/74/15/471387415.db2.gz HGNASZGILOALCB-MRXNPFEDSA-N 2 2 343.475 2.470 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@]1(C)CC1(F)F ZINC000666620446 471467761 /nfs/dbraw/zinc/46/77/61/471467761.db2.gz SGDNJURYOIUVOZ-MRXNPFEDSA-N 2 2 346.466 2.089 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@]1(C)CC1(F)F ZINC000666620446 471467768 /nfs/dbraw/zinc/46/77/68/471467768.db2.gz SGDNJURYOIUVOZ-MRXNPFEDSA-N 2 2 346.466 2.089 10 0 EEAELP O=C(NCC1CC[NH2+]CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000666676773 471493168 /nfs/dbraw/zinc/49/31/68/471493168.db2.gz WTNDMPQGAVGHDF-UHFFFAOYSA-N 2 2 337.493 2.250 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@H](C)[N@H+](CCO)C[C@H]3C)c2cc1OC ZINC000664021512 471612606 /nfs/dbraw/zinc/61/26/06/471612606.db2.gz JSIULIUPQVVKTG-UONOGXRCSA-N 2 2 345.443 2.143 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)c2cc1OC ZINC000664021512 471612614 /nfs/dbraw/zinc/61/26/14/471612614.db2.gz JSIULIUPQVVKTG-UONOGXRCSA-N 2 2 345.443 2.143 10 0 EEAELP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)[nH+]1 ZINC000667119375 471660835 /nfs/dbraw/zinc/66/08/35/471660835.db2.gz RKTDGGOBOZLPKY-HNNXBMFYSA-N 3 2 335.496 2.400 10 0 EEAELP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)[nH+]1 ZINC000667119375 471660842 /nfs/dbraw/zinc/66/08/42/471660842.db2.gz RKTDGGOBOZLPKY-HNNXBMFYSA-N 3 2 335.496 2.400 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@]2(C)CC2(C)C)([NH+]2CCCCC2)CC1 ZINC000664231896 471687539 /nfs/dbraw/zinc/68/75/39/471687539.db2.gz BNSIPYYRARIVHK-SFHVURJKSA-N 2 2 336.524 2.425 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000661399646 471742703 /nfs/dbraw/zinc/74/27/03/471742703.db2.gz LPYDINVDNFAKJS-HNNXBMFYSA-N 2 2 333.480 2.446 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000661399646 471742708 /nfs/dbraw/zinc/74/27/08/471742708.db2.gz LPYDINVDNFAKJS-HNNXBMFYSA-N 2 2 333.480 2.446 10 0 EEAELP CNc1nc(N2CCO[C@H](CCC[NH+](C)C)C2)[nH+]c2ccccc21 ZINC000664659040 471826158 /nfs/dbraw/zinc/82/61/58/471826158.db2.gz VSKJHWOUZIBUQD-CQSZACIVSA-N 2 2 329.448 2.219 10 0 EEAELP COCc1csc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000667602960 471839217 /nfs/dbraw/zinc/83/92/17/471839217.db2.gz TVWWWLOXMKAULP-QGZVFWFLSA-N 2 2 337.533 2.496 10 0 EEAELP COCc1csc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000667602960 471839223 /nfs/dbraw/zinc/83/92/23/471839223.db2.gz TVWWWLOXMKAULP-QGZVFWFLSA-N 2 2 337.533 2.496 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000654359281 471927021 /nfs/dbraw/zinc/92/70/21/471927021.db2.gz ZMZCIGZAHCPQKS-HYVNUMGLSA-N 2 2 341.459 2.149 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662012328 471955565 /nfs/dbraw/zinc/95/55/65/471955565.db2.gz PBTKHJVKFNANEV-GOSISDBHSA-N 2 2 341.459 2.368 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662012328 471955569 /nfs/dbraw/zinc/95/55/69/471955569.db2.gz PBTKHJVKFNANEV-GOSISDBHSA-N 2 2 341.459 2.368 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030464 471963117 /nfs/dbraw/zinc/96/31/17/471963117.db2.gz FQVALEUJGFOQCX-BMFZPTHFSA-N 2 2 340.427 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030464 471963120 /nfs/dbraw/zinc/96/31/20/471963120.db2.gz FQVALEUJGFOQCX-BMFZPTHFSA-N 2 2 340.427 2.372 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654458553 471967003 /nfs/dbraw/zinc/96/70/03/471967003.db2.gz HHGSMFOHWSZWQY-HZPDHXFCSA-N 2 2 333.480 2.355 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654458553 471967006 /nfs/dbraw/zinc/96/70/06/471967006.db2.gz HHGSMFOHWSZWQY-HZPDHXFCSA-N 2 2 333.480 2.355 10 0 EEAELP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278738 471988335 /nfs/dbraw/zinc/98/83/35/471988335.db2.gz NPHQIUHREILCIM-PZZKWDHKSA-N 2 2 348.512 2.422 10 0 EEAELP Cc1cc2c(cc1C)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)CCCO2 ZINC000665291659 471992610 /nfs/dbraw/zinc/99/26/10/471992610.db2.gz HJOMOMLUBSCSFB-HNNXBMFYSA-N 2 2 328.416 2.261 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508569 472133487 /nfs/dbraw/zinc/13/34/87/472133487.db2.gz WJIXWCZACSLYOQ-GDBMZVCRSA-N 2 2 327.831 2.339 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508569 472133492 /nfs/dbraw/zinc/13/34/92/472133492.db2.gz WJIXWCZACSLYOQ-GDBMZVCRSA-N 2 2 327.831 2.339 10 0 EEAELP COc1cc2c(cc1C[NH+]1CCC([N@@H+]3CC[C@H](O)C3)CC1)O[C@H](C)C2 ZINC000668740232 472248429 /nfs/dbraw/zinc/24/84/29/472248429.db2.gz GYTZOIHSEANKFX-KDOFPFPSSA-N 2 2 346.471 2.050 10 0 EEAELP COc1cc2c(cc1C[NH+]1CCC([N@H+]3CC[C@H](O)C3)CC1)O[C@H](C)C2 ZINC000668740232 472248437 /nfs/dbraw/zinc/24/84/37/472248437.db2.gz GYTZOIHSEANKFX-KDOFPFPSSA-N 2 2 346.471 2.050 10 0 EEAELP CN(C)c1cc[nH+]c(NC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000680256619 485922630 /nfs/dbraw/zinc/92/26/30/485922630.db2.gz CLXFPQJUNLCGMS-UHFFFAOYSA-N 2 2 328.416 2.340 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000681254378 486189572 /nfs/dbraw/zinc/18/95/72/486189572.db2.gz KMOGZXSIZMDYMH-UHFFFAOYSA-N 2 2 340.431 2.132 10 0 EEAELP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1 ZINC000415962186 528356649 /nfs/dbraw/zinc/35/66/49/528356649.db2.gz WPXDHJFBOWMVTQ-GJZGRUSLSA-N 2 2 334.464 2.027 10 0 EEAELP COc1ccc2c(c1)[nH+]ccc2N1CCN(Cc2[nH+]ccn2C)CC1 ZINC000765495805 577502002 /nfs/dbraw/zinc/50/20/02/577502002.db2.gz QPVWZHOZIQWBHJ-UHFFFAOYSA-N 2 2 337.427 2.299 10 0 EEAELP COc1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2nccn2C)CC1 ZINC000765495805 577502003 /nfs/dbraw/zinc/50/20/03/577502003.db2.gz QPVWZHOZIQWBHJ-UHFFFAOYSA-N 2 2 337.427 2.299 10 0 EEAELP CC(C)[N@H+](CCS(C)(=O)=O)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000753544525 577789670 /nfs/dbraw/zinc/78/96/70/577789670.db2.gz NHGDHNRFBLTUBD-UHFFFAOYSA-N 2 2 327.475 2.189 10 0 EEAELP CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000753544525 577789671 /nfs/dbraw/zinc/78/96/71/577789671.db2.gz NHGDHNRFBLTUBD-UHFFFAOYSA-N 2 2 327.475 2.189 10 0 EEAELP C/C(=C\C(=O)NCC1([NH+](C)C)CCCCCC1)C[NH+]1CCOCC1 ZINC000899976703 693952141 /nfs/dbraw/zinc/95/21/41/693952141.db2.gz BYNQEYIESNWDDE-SAPNQHFASA-N 2 2 337.508 2.036 10 0 EEAELP C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308322 694607497 /nfs/dbraw/zinc/60/74/97/694607497.db2.gz HNQXIYFKMPAXKH-SUMWQHHRSA-N 2 2 330.432 2.217 10 0 EEAELP O=C(NC[C@@H]1[C@H]2C[N@H+](CCCCCF)C[C@H]21)c1cccc2[nH+]ccn21 ZINC001485605794 1191860167 /nfs/dbraw/zinc/86/01/67/1191860167.db2.gz CGEYDIZOLXBTTP-PHZGNYQRSA-N 2 2 344.434 2.382 10 0 EEAELP O=C(NC[C@@H]1[C@H]2C[N@@H+](CCCCCF)C[C@H]21)c1cccc2[nH+]ccn21 ZINC001485605794 1191860169 /nfs/dbraw/zinc/86/01/69/1191860169.db2.gz CGEYDIZOLXBTTP-PHZGNYQRSA-N 2 2 344.434 2.382 10 0 EEAELP C[C@H](c1ccccc1F)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485615571 1191862896 /nfs/dbraw/zinc/86/28/96/1191862896.db2.gz DZCATXQZQNCYCX-YYQUZTFQSA-N 2 2 342.418 2.147 10 0 EEAELP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485615571 1191862899 /nfs/dbraw/zinc/86/28/99/1191862899.db2.gz DZCATXQZQNCYCX-YYQUZTFQSA-N 2 2 342.418 2.147 10 0 EEAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001266320526 1176251335 /nfs/dbraw/zinc/25/13/35/1176251335.db2.gz BWNZHBIGKYUNIH-WMLDXEAASA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001266320526 1176251349 /nfs/dbraw/zinc/25/13/49/1176251349.db2.gz BWNZHBIGKYUNIH-WMLDXEAASA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001266320526 1176251391 /nfs/dbraw/zinc/25/13/91/1176251391.db2.gz BWNZHBIGKYUNIH-WMLDXEAASA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001266320526 1176251439 /nfs/dbraw/zinc/25/14/39/1176251439.db2.gz BWNZHBIGKYUNIH-WMLDXEAASA-N 2 2 333.480 2.171 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCCc1ccsc1 ZINC001266949549 1177877441 /nfs/dbraw/zinc/87/74/41/1177877441.db2.gz QQBQVXFCYRBGCA-GDBMZVCRSA-N 2 2 346.500 2.234 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001267394238 1178963635 /nfs/dbraw/zinc/96/36/35/1178963635.db2.gz CDUBTLMCOFLSEW-OAHLLOKOSA-N 2 2 344.434 2.141 10 0 EEAELP CCCCC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001267682535 1180153818 /nfs/dbraw/zinc/15/38/18/1180153818.db2.gz BJBRFRVKZYTERM-QGZVFWFLSA-N 2 2 333.480 2.028 10 0 EEAELP CCCCC[NH+]1CC(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001267682535 1180153823 /nfs/dbraw/zinc/15/38/23/1180153823.db2.gz BJBRFRVKZYTERM-QGZVFWFLSA-N 2 2 333.480 2.028 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C/C=C\c1ccccc1 ZINC001268011166 1180970509 /nfs/dbraw/zinc/97/05/09/1180970509.db2.gz SLKZMINRBRLNOP-CXOKCQFOSA-N 2 2 326.444 2.018 10 0 EEAELP CCC[N@@H+]1CC[C@H](CCNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001481432250 1181326727 /nfs/dbraw/zinc/32/67/27/1181326727.db2.gz NRWLSBQFNKFZBN-WMLDXEAASA-N 2 2 333.480 2.028 10 0 EEAELP CCC[N@H+]1CC[C@H](CCNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001481432250 1181326734 /nfs/dbraw/zinc/32/67/34/1181326734.db2.gz NRWLSBQFNKFZBN-WMLDXEAASA-N 2 2 333.480 2.028 10 0 EEAELP CCC[NH+]1CC[C@H](CCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001481432250 1181326740 /nfs/dbraw/zinc/32/67/40/1181326740.db2.gz NRWLSBQFNKFZBN-WMLDXEAASA-N 2 2 333.480 2.028 10 0 EEAELP CCC[NH+]1CC[C@H](CCNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001481432250 1181326747 /nfs/dbraw/zinc/32/67/47/1181326747.db2.gz NRWLSBQFNKFZBN-WMLDXEAASA-N 2 2 333.480 2.028 10 0 EEAELP Cc1nocc1C[N@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481452341 1181389684 /nfs/dbraw/zinc/38/96/84/1181389684.db2.gz VDPFFGSDUIPTKS-GDBMZVCRSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1nocc1C[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481452341 1181389691 /nfs/dbraw/zinc/38/96/91/1181389691.db2.gz VDPFFGSDUIPTKS-GDBMZVCRSA-N 2 2 345.447 2.159 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC001481559437 1181719156 /nfs/dbraw/zinc/71/91/56/1181719156.db2.gz LREMKSNRFDGJOT-YOEHRIQHSA-N 2 2 348.491 2.012 10 0 EEAELP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268377780 1182401811 /nfs/dbraw/zinc/40/18/11/1182401811.db2.gz NNLPKCWHMAQTEN-ZBFHGGJFSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)sn1 ZINC001268405559 1182520075 /nfs/dbraw/zinc/52/00/75/1182520075.db2.gz JKINRLQVTWXKKL-JSGCOSHPSA-N 2 2 335.477 2.284 10 0 EEAELP Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001268416374 1182576000 /nfs/dbraw/zinc/57/60/00/1182576000.db2.gz UNVDODWYAXWEOT-MRXNPFEDSA-N 2 2 328.460 2.264 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1ncc(Cl)s1 ZINC001268417888 1182579639 /nfs/dbraw/zinc/57/96/39/1182579639.db2.gz BCELFRKTLNGKQJ-VIFPVBQESA-N 2 2 341.868 2.055 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001482000351 1183115223 /nfs/dbraw/zinc/11/52/23/1183115223.db2.gz NTKISNXGFSAWFL-SFHVURJKSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]C[C@@H]3CC[C@@H](C)O3)ccn12 ZINC001268539525 1183205335 /nfs/dbraw/zinc/20/53/35/1183205335.db2.gz UTGTVBYXZCLWOH-JUPLKNRCSA-N 2 2 342.443 2.086 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(F)(F)C(F)F ZINC001482173107 1183500187 /nfs/dbraw/zinc/50/01/87/1183500187.db2.gz FXGOKNAZICWSOD-NWDGAFQWSA-N 2 2 341.393 2.103 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC(F)(F)C(F)F ZINC001482173107 1183500189 /nfs/dbraw/zinc/50/01/89/1183500189.db2.gz FXGOKNAZICWSOD-NWDGAFQWSA-N 2 2 341.393 2.103 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001268610224 1183519140 /nfs/dbraw/zinc/51/91/40/1183519140.db2.gz VSRDLLCLTALADI-WZHGYECESA-N 2 2 342.418 2.431 10 0 EEAELP COc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)Cc2c[nH+]cn2C)c1 ZINC001268914857 1183823037 /nfs/dbraw/zinc/82/30/37/1183823037.db2.gz GOBOFJQAHLKYRI-HNNXBMFYSA-N 2 2 344.459 2.171 10 0 EEAELP Cc1ccc(CC[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCCC2)cc1 ZINC001482238640 1184530459 /nfs/dbraw/zinc/53/04/59/1184530459.db2.gz FCWNTERMUIDPRX-UHFFFAOYSA-N 2 2 340.471 2.453 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001482301092 1185211191 /nfs/dbraw/zinc/21/11/91/1185211191.db2.gz IXUPMKIBYLYJGV-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](C[NH2+]Cc1cncs1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482308454 1185267743 /nfs/dbraw/zinc/26/77/43/1185267743.db2.gz JHNMJWGEQFGKTF-GFCCVEGCSA-N 2 2 329.429 2.041 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC1CC(F)(F)C1 ZINC001482535764 1186560094 /nfs/dbraw/zinc/56/00/94/1186560094.db2.gz FJMXVXDWDDCVSO-MCIONIFRSA-N 2 2 340.418 2.289 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1CC(F)(F)C1 ZINC001482535764 1186560100 /nfs/dbraw/zinc/56/01/00/1186560100.db2.gz FJMXVXDWDDCVSO-MCIONIFRSA-N 2 2 340.418 2.289 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001482606564 1187360875 /nfs/dbraw/zinc/36/08/75/1187360875.db2.gz RZDGHNSDPUMAGA-ZWKOTPCHSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001482606564 1187360879 /nfs/dbraw/zinc/36/08/79/1187360879.db2.gz RZDGHNSDPUMAGA-ZWKOTPCHSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[NH+](C)Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001482606564 1187360880 /nfs/dbraw/zinc/36/08/80/1187360880.db2.gz RZDGHNSDPUMAGA-ZWKOTPCHSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[NH+](C)Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001482606564 1187360883 /nfs/dbraw/zinc/36/08/83/1187360883.db2.gz RZDGHNSDPUMAGA-ZWKOTPCHSA-N 2 2 348.466 2.128 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cccc3ccccc32)CC1 ZINC001670906553 1193496753 /nfs/dbraw/zinc/49/67/53/1193496753.db2.gz BOAYMEHJNCUQFH-UHFFFAOYSA-N 2 2 334.423 2.475 10 0 EEAELP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001482930886 1187851740 /nfs/dbraw/zinc/85/17/40/1187851740.db2.gz MLDVYRRKAAJJLY-UHFFFAOYSA-N 2 2 343.475 2.268 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001483008906 1187991309 /nfs/dbraw/zinc/99/13/09/1187991309.db2.gz PMKUSCWSKOREOT-XETQRACLSA-N 2 2 346.475 2.044 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2ncc(C3CC3)o2)CC[N@H+]1C ZINC001483008906 1187991314 /nfs/dbraw/zinc/99/13/14/1187991314.db2.gz PMKUSCWSKOREOT-XETQRACLSA-N 2 2 346.475 2.044 10 0 EEAELP C[C@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272865528 1193583267 /nfs/dbraw/zinc/58/32/67/1193583267.db2.gz MCGSXQYAJRHZSA-HIFRSBDPSA-N 2 2 344.459 2.476 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001272873133 1193587872 /nfs/dbraw/zinc/58/78/72/1193587872.db2.gz HEEJCIPKIPTSFW-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001409362793 1189581349 /nfs/dbraw/zinc/58/13/49/1189581349.db2.gz HOVYRCZZXUITHW-NWDGAFQWSA-N 2 2 336.386 2.476 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)o1 ZINC001409693606 1190203507 /nfs/dbraw/zinc/20/35/07/1190203507.db2.gz RNUGTKWSKZRVLN-AWEZNQCLSA-N 2 2 336.480 2.104 10 0 EEAELP Cc1nc(C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)o1 ZINC001409693606 1190203510 /nfs/dbraw/zinc/20/35/10/1190203510.db2.gz RNUGTKWSKZRVLN-AWEZNQCLSA-N 2 2 336.480 2.104 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)c1cccc2[nH+]ccn21 ZINC001483248186 1190277648 /nfs/dbraw/zinc/27/76/48/1190277648.db2.gz PIZYGUOSDXNGSA-AWEZNQCLSA-N 2 2 340.402 2.424 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1nc(C)oc1C ZINC001483346791 1190381857 /nfs/dbraw/zinc/38/18/57/1190381857.db2.gz XHWBTZJVNIHQIF-DYVFJYSZSA-N 2 2 336.480 2.102 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1nc(C)oc1C ZINC001483346791 1190381863 /nfs/dbraw/zinc/38/18/63/1190381863.db2.gz XHWBTZJVNIHQIF-DYVFJYSZSA-N 2 2 336.480 2.102 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1nc(C)oc1C ZINC001483346791 1190381868 /nfs/dbraw/zinc/38/18/68/1190381868.db2.gz XHWBTZJVNIHQIF-DYVFJYSZSA-N 2 2 336.480 2.102 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1nc(C)oc1C ZINC001483346791 1190381871 /nfs/dbraw/zinc/38/18/71/1190381871.db2.gz XHWBTZJVNIHQIF-DYVFJYSZSA-N 2 2 336.480 2.102 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1nc2ccccc2o1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483351628 1190387412 /nfs/dbraw/zinc/38/74/12/1190387412.db2.gz AZGCKBXQEMWKPK-GOEBONIOSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1nc2ccccc2o1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483351628 1190387417 /nfs/dbraw/zinc/38/74/17/1190387417.db2.gz AZGCKBXQEMWKPK-GOEBONIOSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H](C[NH+](C)Cc1nc2ccccc2o1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483351628 1190387420 /nfs/dbraw/zinc/38/74/20/1190387420.db2.gz AZGCKBXQEMWKPK-GOEBONIOSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H](C[NH+](C)Cc1nc2ccccc2o1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483351628 1190387423 /nfs/dbraw/zinc/38/74/23/1190387423.db2.gz AZGCKBXQEMWKPK-GOEBONIOSA-N 2 2 344.459 2.249 10 0 EEAELP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@@H+]1Cc1csc(C)c1 ZINC001483653012 1190711091 /nfs/dbraw/zinc/71/10/91/1190711091.db2.gz LBZIAMGHNZVIMB-HZPDHXFCSA-N 2 2 341.496 2.427 10 0 EEAELP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CC[N@H+]1Cc1csc(C)c1 ZINC001483653012 1190711093 /nfs/dbraw/zinc/71/10/93/1190711093.db2.gz LBZIAMGHNZVIMB-HZPDHXFCSA-N 2 2 341.496 2.427 10 0 EEAELP CCC[NH2+]C[C@H]1CN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C[C@@H]1C ZINC001279162168 1190758905 /nfs/dbraw/zinc/75/89/05/1190758905.db2.gz OXYNEJUEGGKYAN-HOTGVXAUSA-N 2 2 328.460 2.279 10 0 EEAELP CC[C@@H](C[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC001483818905 1191047055 /nfs/dbraw/zinc/04/70/55/1191047055.db2.gz WEHFGMVXDUOYQP-SFHVURJKSA-N 2 2 348.491 2.011 10 0 EEAELP CC[C@@H](C[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC001483818905 1191047057 /nfs/dbraw/zinc/04/70/57/1191047057.db2.gz WEHFGMVXDUOYQP-SFHVURJKSA-N 2 2 348.491 2.011 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001483807541 1191053112 /nfs/dbraw/zinc/05/31/12/1191053112.db2.gz JZWGXZJJVKKNNJ-BQWVTDQKSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001483807541 1191053114 /nfs/dbraw/zinc/05/31/14/1191053114.db2.gz JZWGXZJJVKKNNJ-BQWVTDQKSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483807541 1191053119 /nfs/dbraw/zinc/05/31/19/1191053119.db2.gz JZWGXZJJVKKNNJ-BQWVTDQKSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483807541 1191053121 /nfs/dbraw/zinc/05/31/21/1191053121.db2.gz JZWGXZJJVKKNNJ-BQWVTDQKSA-N 2 2 349.519 2.129 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@H+](CCC2=CCCCC2)C1 ZINC001484068828 1191195483 /nfs/dbraw/zinc/19/54/83/1191195483.db2.gz VOMZENDJGRYUMQ-LJQANCHMSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001484068828 1191195485 /nfs/dbraw/zinc/19/54/85/1191195485.db2.gz VOMZENDJGRYUMQ-LJQANCHMSA-N 2 2 330.476 2.434 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001484410044 1191338174 /nfs/dbraw/zinc/33/81/74/1191338174.db2.gz OIGMDWQPHBMJJV-JDVOYXAPSA-N 2 2 330.476 2.410 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001484410044 1191338175 /nfs/dbraw/zinc/33/81/75/1191338175.db2.gz OIGMDWQPHBMJJV-JDVOYXAPSA-N 2 2 330.476 2.410 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1 ZINC001484570406 1191423969 /nfs/dbraw/zinc/42/39/69/1191423969.db2.gz TWASIVUHPWGSBV-WKILWMFISA-N 2 2 345.447 2.034 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCOCC2CCC2)[C@H](C)C1 ZINC001484987354 1191603776 /nfs/dbraw/zinc/60/37/76/1191603776.db2.gz YXKBQLOTUSWGGY-PBHICJAKSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCOCC2CCC2)[C@H](C)C1 ZINC001484987354 1191603778 /nfs/dbraw/zinc/60/37/78/1191603778.db2.gz YXKBQLOTUSWGGY-PBHICJAKSA-N 2 2 348.491 2.046 10 0 EEAELP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001485105719 1191656383 /nfs/dbraw/zinc/65/63/83/1191656383.db2.gz YCUZHLFLLBTUIW-HWOWSKLDSA-N 2 2 346.450 2.418 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001485154339 1191667780 /nfs/dbraw/zinc/66/77/80/1191667780.db2.gz DBSKMVHULDALDY-KGLIPLIRSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001485154339 1191667781 /nfs/dbraw/zinc/66/77/81/1191667781.db2.gz DBSKMVHULDALDY-KGLIPLIRSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cccnc2C)c[nH+]1 ZINC001485163329 1191675178 /nfs/dbraw/zinc/67/51/78/1191675178.db2.gz OISSRCYTRSZAOD-LSDHHAIUSA-N 2 2 343.475 2.313 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001485229600 1191698963 /nfs/dbraw/zinc/69/89/63/1191698963.db2.gz ZDADDTZJVBQOCL-QWHCGFSZSA-N 2 2 341.415 2.016 10 0 EEAELP C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)[C@H](C)[NH2+]Cc1cscn1 ZINC001485232515 1191700441 /nfs/dbraw/zinc/70/04/41/1191700441.db2.gz UBTPAXFVAAFAPK-GJZGRUSLSA-N 2 2 346.500 2.258 10 0 EEAELP C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)[C@H](C)[NH2+]Cc1cscn1 ZINC001485232515 1191700442 /nfs/dbraw/zinc/70/04/42/1191700442.db2.gz UBTPAXFVAAFAPK-GJZGRUSLSA-N 2 2 346.500 2.258 10 0 EEAELP Cc1ccncc1C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001485355346 1191760265 /nfs/dbraw/zinc/76/02/65/1191760265.db2.gz FUCPSINKZATAAV-JKSUJKDBSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ccncc1C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001485355346 1191760267 /nfs/dbraw/zinc/76/02/67/1191760267.db2.gz FUCPSINKZATAAV-JKSUJKDBSA-N 2 2 329.448 2.174 10 0 EEAELP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001273107495 1194390891 /nfs/dbraw/zinc/39/08/91/1194390891.db2.gz ZQMOANZAHBHOML-CWDCEQMOSA-N 2 2 330.476 2.430 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001691685519 1197495964 /nfs/dbraw/zinc/49/59/64/1197495964.db2.gz LFMRQWUOUMZELH-RBUKOAKNSA-N 2 2 340.471 2.390 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001410199215 1197599745 /nfs/dbraw/zinc/59/97/45/1197599745.db2.gz QAOAORZPDZSDTM-FGTMMUONSA-N 2 2 330.476 2.290 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001410199215 1197599747 /nfs/dbraw/zinc/59/97/47/1197599747.db2.gz QAOAORZPDZSDTM-FGTMMUONSA-N 2 2 330.476 2.290 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccco2)([NH+]2CCCCC2)CC1 ZINC000863888164 1197908178 /nfs/dbraw/zinc/90/81/78/1197908178.db2.gz JAGUNZMJILCPGI-IAGOWNOFSA-N 2 2 345.487 2.450 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC001411028849 1198708295 /nfs/dbraw/zinc/70/82/95/1198708295.db2.gz WOBYAJXTBPZWPZ-INIZCTEOSA-N 2 2 348.491 2.219 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC001411028849 1198708298 /nfs/dbraw/zinc/70/82/98/1198708298.db2.gz WOBYAJXTBPZWPZ-INIZCTEOSA-N 2 2 348.491 2.219 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC001411028863 1198708711 /nfs/dbraw/zinc/70/87/11/1198708711.db2.gz WOBYAJXTBPZWPZ-MRXNPFEDSA-N 2 2 348.491 2.219 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C(C)(C)C1 ZINC001411028863 1198708713 /nfs/dbraw/zinc/70/87/13/1198708713.db2.gz WOBYAJXTBPZWPZ-MRXNPFEDSA-N 2 2 348.491 2.219 10 0 EEAELP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000810253340 1199405827 /nfs/dbraw/zinc/40/58/27/1199405827.db2.gz RPCNPUWKFYXUNI-WOPDTQHZSA-N 2 2 327.375 2.224 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866340602 1201496217 /nfs/dbraw/zinc/49/62/17/1201496217.db2.gz SUSJIGXSMVXGIH-PMACEKPBSA-N 2 2 325.456 2.412 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866340602 1201496218 /nfs/dbraw/zinc/49/62/18/1201496218.db2.gz SUSJIGXSMVXGIH-PMACEKPBSA-N 2 2 325.456 2.412 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)CC2)CC1 ZINC000868923373 1201906709 /nfs/dbraw/zinc/90/67/09/1201906709.db2.gz FDRDDMTWJPGRML-GDAAHCPNSA-N 2 2 333.520 2.297 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@@H]3C)CC2)CC1 ZINC000868923373 1201906712 /nfs/dbraw/zinc/90/67/12/1201906712.db2.gz FDRDDMTWJPGRML-GDAAHCPNSA-N 2 2 333.520 2.297 10 0 EEAELP Cc1cc([C@H]([NH3+])CC(=O)NCCNc2cccc[nH+]2)cc(Cl)n1 ZINC000826554932 1204250432 /nfs/dbraw/zinc/25/04/32/1204250432.db2.gz NOHACLGUTPYARB-CYBMUJFWSA-N 2 2 333.823 2.057 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001274140711 1204402181 /nfs/dbraw/zinc/40/21/81/1204402181.db2.gz BSARPNLKXVCYOF-LHRDXKRPSA-N 2 2 338.455 2.216 10 0 EEAELP CCCCC[N@@H+]1CCOC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001274867291 1205195718 /nfs/dbraw/zinc/19/57/18/1205195718.db2.gz FARIRJKCKDULLH-UHFFFAOYSA-N 2 2 348.491 2.226 10 0 EEAELP CCCCC[N@H+]1CCOC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001274867291 1205195719 /nfs/dbraw/zinc/19/57/19/1205195719.db2.gz FARIRJKCKDULLH-UHFFFAOYSA-N 2 2 348.491 2.226 10 0 EEAELP CCCCC[N@@H+]1CCOC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001274867291 1205195721 /nfs/dbraw/zinc/19/57/21/1205195721.db2.gz FARIRJKCKDULLH-UHFFFAOYSA-N 2 2 348.491 2.226 10 0 EEAELP CCCCC[N@H+]1CCOC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001274867291 1205195722 /nfs/dbraw/zinc/19/57/22/1205195722.db2.gz FARIRJKCKDULLH-UHFFFAOYSA-N 2 2 348.491 2.226 10 0 EEAELP CN(CC(C)(C)C[NH2+]CC[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275685787 1205484328 /nfs/dbraw/zinc/48/43/28/1205484328.db2.gz WHGREEGQGOUKCX-BZUAXINKSA-N 2 2 348.491 2.157 10 0 EEAELP CN(CC(C)(C)C[NH2+]CC[C@H]1CCCO1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275685787 1205484330 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347.551 2.357 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+]([C@H]3CCCN(c4ccccc4)C3=O)C[C@@]2(C)C1 ZINC000931311468 1206623672 /nfs/dbraw/zinc/62/36/72/1206623672.db2.gz QAZMGOOBOVFWRO-DFQSSKMNSA-N 2 2 327.472 2.456 10 0 EEAELP CN(C)c1[nH+]cc(CNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)n1C ZINC000900681289 1234651081 /nfs/dbraw/zinc/65/10/81/1234651081.db2.gz JXYWGSHBRIBNPG-UHFFFAOYSA-N 2 2 340.431 2.020 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cnn1C ZINC000903895647 1242369404 /nfs/dbraw/zinc/36/94/04/1242369404.db2.gz PMRBCRNCPYNYKQ-XAUMDUMWSA-N 2 2 342.487 2.308 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)cnn1C ZINC000903895647 1242369409 /nfs/dbraw/zinc/36/94/09/1242369409.db2.gz PMRBCRNCPYNYKQ-XAUMDUMWSA-N 2 2 342.487 2.308 10 0 EEAELP CC[C@](C)([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000903898401 1242388548 /nfs/dbraw/zinc/38/85/48/1242388548.db2.gz LDIQZYARDVAKNV-BBRMVZONSA-N 2 2 334.493 2.383 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001413781648 1245518286 /nfs/dbraw/zinc/51/82/86/1245518286.db2.gz AKHMNVJXWRYVFU-UHFFFAOYSA-N 2 2 342.443 2.016 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001490940306 1258493587 /nfs/dbraw/zinc/49/35/87/1258493587.db2.gz YQADWJPSTWDOBJ-WKILWMFISA-N 2 2 346.862 2.475 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1F ZINC001491506754 1259157370 /nfs/dbraw/zinc/15/73/70/1259157370.db2.gz DRBQDTBJBJJALF-ZBFHGGJFSA-N 2 2 344.434 2.188 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCc1ccccc1 ZINC001491507521 1259159060 /nfs/dbraw/zinc/15/90/60/1259159060.db2.gz JMAVSZGSHOQLER-WMZOPIPTSA-N 2 2 340.471 2.173 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001267893784 1276787342 /nfs/dbraw/zinc/78/73/42/1276787342.db2.gz QTGJARLLGRTPJG-GFCCVEGCSA-N 2 2 332.370 2.123 10 0 EEAELP O=[S@](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(F)(F)F ZINC000850347923 1277191795 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2 332.492 2.416 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@](C)(C[NH2+]CCC1CCCC1)C1CC1 ZINC001318729527 1332584415 /nfs/dbraw/zinc/58/44/15/1332584415.db2.gz KWNRCOUUMLJADH-IBGZPJMESA-N 2 2 332.492 2.417 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001318802799 1332600304 /nfs/dbraw/zinc/60/03/04/1332600304.db2.gz CHMPDZBGYIGACD-HOTGVXAUSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319559310 1332721062 /nfs/dbraw/zinc/72/10/62/1332721062.db2.gz DISJSJANSPWOHX-ZIAGYGMSSA-N 2 2 342.434 2.225 10 0 EEAELP O=C(N[C@H](C[NH2+]CCF)C1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001319655419 1332735002 /nfs/dbraw/zinc/73/50/02/1332735002.db2.gz KUDQASGWYMZCSJ-JKSUJKDBSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)c1cccc2[nH+]ccn21 ZINC001320489614 1332895989 /nfs/dbraw/zinc/89/59/89/1332895989.db2.gz GIXHGXSNWSRATM-NSHDSACASA-N 2 2 328.338 2.385 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001320551871 1332908332 /nfs/dbraw/zinc/90/83/32/1332908332.db2.gz ASEAURFNNOMPRW-FVQBIDKESA-N 2 2 344.434 2.347 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)cs1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001320767297 1332948638 /nfs/dbraw/zinc/94/86/38/1332948638.db2.gz RAVTXTFNAVKCTD-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(OC)c1C)C(=O)Cc1[nH]c[nH+]c1C ZINC001320902879 1332975856 /nfs/dbraw/zinc/97/58/56/1332975856.db2.gz OQEZQXOYICQJPS-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]CC[C@H]3CCCO3)ccn12 ZINC001321065128 1333009622 /nfs/dbraw/zinc/00/96/22/1333009622.db2.gz QNVNRDWANLJWFS-RCAFFNEUSA-N 2 2 342.443 2.087 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1 ZINC001321284527 1333064410 /nfs/dbraw/zinc/06/44/10/1333064410.db2.gz FJWBLBLEQSWABG-PYLYLYNFSA-N 2 2 330.407 2.190 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\C[NH2+]Cc1cccc(F)c1 ZINC001321284527 1333064414 /nfs/dbraw/zinc/06/44/14/1333064414.db2.gz FJWBLBLEQSWABG-PYLYLYNFSA-N 2 2 330.407 2.190 10 0 EEAELP CCc1cccc(C[NH2+]C/C=C\CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001321352604 1333082861 /nfs/dbraw/zinc/08/28/61/1333082861.db2.gz HZDFGISANSOQNY-PLNGDYQASA-N 2 2 326.444 2.285 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001321586267 1333128947 /nfs/dbraw/zinc/12/89/47/1333128947.db2.gz TYQUMABLLPTIKI-CABCVRRESA-N 2 2 330.432 2.001 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001323000359 1333366423 /nfs/dbraw/zinc/36/64/23/1333366423.db2.gz NGRUVVBKTMRYBC-QZTJIDSGSA-N 2 2 347.507 2.321 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001323000359 1333366428 /nfs/dbraw/zinc/36/64/28/1333366428.db2.gz NGRUVVBKTMRYBC-QZTJIDSGSA-N 2 2 347.507 2.321 10 0 EEAELP C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C[NH2+]CCF ZINC001325543079 1333907723 /nfs/dbraw/zinc/90/77/23/1333907723.db2.gz ODLHZGFOIGTPDU-ZBFHGGJFSA-N 2 2 330.407 2.140 10 0 EEAELP CC(C)(C(=O)N(CC[NH2+]CCF)Cc1ccccc1)c1c[nH+]c[nH]1 ZINC001325707450 1333944797 /nfs/dbraw/zinc/94/47/97/1333944797.db2.gz AMHPPCRNNIQIJM-UHFFFAOYSA-N 2 2 332.423 2.275 10 0 EEAELP CC[C@H](C[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)OC ZINC001326302016 1334063618 /nfs/dbraw/zinc/06/36/18/1334063618.db2.gz FEVWBTFDQKCRJK-GDBMZVCRSA-N 2 2 344.459 2.430 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001326326722 1334068849 /nfs/dbraw/zinc/06/88/49/1334068849.db2.gz UXNUSLLCELPFKK-ROUUACIJSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001326419988 1334090323 /nfs/dbraw/zinc/09/03/23/1334090323.db2.gz WHUPCAOAKVSWEQ-CYBMUJFWSA-N 2 2 340.418 2.134 10 0 EEAELP CCCCC[NH2+]CC1CC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001328861042 1334536362 /nfs/dbraw/zinc/53/63/62/1334536362.db2.gz IPEKDEFIPDTBMA-JTTJXQCZSA-N 2 2 347.507 2.465 10 0 EEAELP CCCCC[NH2+]CC1CC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001328861042 1334536365 /nfs/dbraw/zinc/53/63/65/1334536365.db2.gz IPEKDEFIPDTBMA-JTTJXQCZSA-N 2 2 347.507 2.465 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001329085173 1334582524 /nfs/dbraw/zinc/58/25/24/1334582524.db2.gz INPOLRHZCAGOJM-KGLIPLIRSA-N 2 2 341.415 2.016 10 0 EEAELP CC(C)[NH2+]CCCOC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001329780236 1334713821 /nfs/dbraw/zinc/71/38/21/1334713821.db2.gz YNZZKAOWCOUIRJ-UHFFFAOYSA-N 2 2 344.459 2.344 10 0 EEAELP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001330018101 1334761827 /nfs/dbraw/zinc/76/18/27/1334761827.db2.gz AGCSPJKINNYLOO-UDLYIEAKSA-N 2 2 330.476 2.238 10 0 EEAELP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC[C@H]1CCOC1 ZINC001331491819 1335023168 /nfs/dbraw/zinc/02/31/68/1335023168.db2.gz WUJXSSDFJPHBRW-GJZGRUSLSA-N 2 2 344.459 2.430 10 0 EEAELP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001332453404 1335827241 /nfs/dbraw/zinc/82/72/41/1335827241.db2.gz OEZVMGHCBMWDHO-INIZCTEOSA-N 2 2 346.500 2.404 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001436385196 1342064667 /nfs/dbraw/zinc/06/46/67/1342064667.db2.gz MPQKJLPTDLXNMF-CZIWCDLHSA-N 2 2 330.476 2.407 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001436385196 1342064669 /nfs/dbraw/zinc/06/46/69/1342064669.db2.gz MPQKJLPTDLXNMF-CZIWCDLHSA-N 2 2 330.476 2.407 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001506668289 1342308149 /nfs/dbraw/zinc/30/81/49/1342308149.db2.gz XGSJXXCDHMXTLM-ZDUSSCGKSA-N 2 2 338.883 2.013 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001506668289 1342308153 /nfs/dbraw/zinc/30/81/53/1342308153.db2.gz XGSJXXCDHMXTLM-ZDUSSCGKSA-N 2 2 338.883 2.013 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC1=CCCCC1 ZINC001571394702 1343203413 /nfs/dbraw/zinc/20/34/13/1343203413.db2.gz QGYNJLLTXTVEIN-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001677290954 1357308047 /nfs/dbraw/zinc/30/80/47/1357308047.db2.gz FISGZOZKCBMFCF-ZDUSSCGKSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCOc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001649471605 1353523835 /nfs/dbraw/zinc/52/38/35/1353523835.db2.gz JACQGGSVTSJPJP-KRWDZBQOSA-N 2 2 344.459 2.083 10 0 EEAELP CCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001649472213 1353524267 /nfs/dbraw/zinc/52/42/67/1353524267.db2.gz LCHHKDHAEJKEQF-DOTOQJQBSA-N 2 2 344.459 2.262 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc2cccnc21 ZINC001660312846 1354437204 /nfs/dbraw/zinc/43/72/04/1354437204.db2.gz ASVSDVPWOCRLOL-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc2cccnc21 ZINC001660312846 1354437207 /nfs/dbraw/zinc/43/72/07/1354437207.db2.gz ASVSDVPWOCRLOL-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP C[C@@](O)(C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)C(F)F ZINC001660342389 1354444425 /nfs/dbraw/zinc/44/44/25/1354444425.db2.gz GMSIJZBSWYYRKN-GOSISDBHSA-N 2 2 342.430 2.227 10 0 EEAELP C[C@@](O)(C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)C(F)F ZINC001660342389 1354444428 /nfs/dbraw/zinc/44/44/28/1354444428.db2.gz GMSIJZBSWYYRKN-GOSISDBHSA-N 2 2 342.430 2.227 10 0 EEAELP C[C@@](O)(C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1)C(F)F ZINC001660342389 1354444431 /nfs/dbraw/zinc/44/44/31/1354444431.db2.gz GMSIJZBSWYYRKN-GOSISDBHSA-N 2 2 342.430 2.227 10 0 EEAELP C[C@@](O)(C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1)C(F)F ZINC001660342389 1354444433 /nfs/dbraw/zinc/44/44/33/1354444433.db2.gz GMSIJZBSWYYRKN-GOSISDBHSA-N 2 2 342.430 2.227 10 0 EEAELP Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001660368069 1354450361 /nfs/dbraw/zinc/45/03/61/1354450361.db2.gz CVFZOANBQCHSRD-MRXNPFEDSA-N 2 2 328.460 2.470 10 0 EEAELP Cc1cccc([C@@H](C)[N@@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001660368069 1354450363 /nfs/dbraw/zinc/45/03/63/1354450363.db2.gz CVFZOANBQCHSRD-MRXNPFEDSA-N 2 2 328.460 2.470 10 0 EEAELP Cc1cccc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001660757182 1354533077 /nfs/dbraw/zinc/53/30/77/1354533077.db2.gz JMGSIXFLZURZLG-UHFFFAOYSA-N 2 2 326.444 2.362 10 0 EEAELP Cc1cccc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001660757182 1354533079 /nfs/dbraw/zinc/53/30/79/1354533079.db2.gz JMGSIXFLZURZLG-UHFFFAOYSA-N 2 2 326.444 2.362 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H](C[NH2+]C/C=C\Cl)C1 ZINC001661792732 1354698063 /nfs/dbraw/zinc/69/80/63/1354698063.db2.gz FMEPUNHSCJCKRF-MXPOXZOCSA-N 2 2 336.867 2.026 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H](C[NH2+]C/C=C\Cl)C3)ccn12 ZINC001662630953 1354815551 /nfs/dbraw/zinc/81/55/51/1354815551.db2.gz RJTREEJMCHWYAM-FWWGQDLDSA-N 2 2 332.835 2.447 10 0 EEAELP CCOC1CC(C[NH2+]CCN(C)C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001664085553 1355089533 /nfs/dbraw/zinc/08/95/33/1355089533.db2.gz JUQMZONCFQEBCS-UHFFFAOYSA-N 2 2 333.476 2.484 10 0 EEAELP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001666937414 1355618502 /nfs/dbraw/zinc/61/85/02/1355618502.db2.gz BTMWUKWMNYMHMH-GJZGRUSLSA-N 2 2 346.500 2.186 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001667688936 1355786729 /nfs/dbraw/zinc/78/67/29/1355786729.db2.gz YSFWZPTYKVPRLI-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001667688936 1355786731 /nfs/dbraw/zinc/78/67/31/1355786731.db2.gz YSFWZPTYKVPRLI-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C[C@H]1CCCCO1)C(C)C ZINC001691760172 1358343446 /nfs/dbraw/zinc/34/34/46/1358343446.db2.gz MIIHDOLGQNFYQT-MRXNPFEDSA-N 2 2 336.480 2.046 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C[C@H]1CCCCO1)C(C)C ZINC001691760172 1358343449 /nfs/dbraw/zinc/34/34/49/1358343449.db2.gz MIIHDOLGQNFYQT-MRXNPFEDSA-N 2 2 336.480 2.046 10 0 EEAELP Cc1ccncc1C[NH2+]CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001698680694 1405016373 /nfs/dbraw/zinc/01/63/73/1405016373.db2.gz CAMUZNKYTZWVAL-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001698891198 1405133977 /nfs/dbraw/zinc/13/39/77/1405133977.db2.gz LPELEVGYURLUOS-JKSUJKDBSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)s1 ZINC001698921776 1405163768 /nfs/dbraw/zinc/16/37/68/1405163768.db2.gz WBSNEAGMXQINOF-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2cccc3cccnc32)C1 ZINC001699827830 1405513927 /nfs/dbraw/zinc/51/39/27/1405513927.db2.gz ZXTWBMKNJUBWNR-FQEVSTJZSA-N 2 2 349.438 2.212 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC001699827830 1405513933 /nfs/dbraw/zinc/51/39/33/1405513933.db2.gz ZXTWBMKNJUBWNR-FQEVSTJZSA-N 2 2 349.438 2.212 10 0 EEAELP C[NH+]1CCC(CNC(=O)NC[C@]23C[C@H]2CCC3)([NH+]2CCCCC2)CC1 ZINC000920603491 770774928 /nfs/dbraw/zinc/77/49/28/770774928.db2.gz GCYSYYDPVLFXJJ-MJGOQNOKSA-N 2 2 348.535 2.426 10 0 EEAELP COC[C@@H](CCC[NH3+])[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000817897609 785053179 /nfs/dbraw/zinc/05/31/79/785053179.db2.gz TVDSTAURIKNQBX-QGZVFWFLSA-N 3 2 334.508 2.065 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000819184218 785453365 /nfs/dbraw/zinc/45/33/65/785453365.db2.gz WZBWRWGLAKRCKG-AUUYWEPGSA-N 2 2 344.434 2.464 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000912615075 788270792 /nfs/dbraw/zinc/27/07/92/788270792.db2.gz UXWGJTPBBCQAAA-QGZVFWFLSA-N 2 2 326.444 2.257 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000912615075 788270802 /nfs/dbraw/zinc/27/08/02/788270802.db2.gz UXWGJTPBBCQAAA-QGZVFWFLSA-N 2 2 326.444 2.257 10 0 EEAELP CCC1([NH+]2CCCC2)CCN(C(=O)/C=C(/C)C[NH+]2CCOCC2)CC1 ZINC000913647969 794020138 /nfs/dbraw/zinc/02/01/38/794020138.db2.gz MVJNGEISAFYRNF-VLGSPTGOSA-N 2 2 349.519 2.132 10 0 EEAELP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000721972484 794746301 /nfs/dbraw/zinc/74/63/01/794746301.db2.gz GEPJQZGZQHXSJF-UHFFFAOYSA-N 2 2 345.256 2.477 10 0 EEAELP O=C(O[C@H]1CC[N@@H+](CCF)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805937412 811672749 /nfs/dbraw/zinc/67/27/49/811672749.db2.gz AFTVPEABSYOJDC-SFHVURJKSA-N 2 2 334.435 2.486 10 0 EEAELP O=C(O[C@H]1CC[N@H+](CCF)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805937412 811672755 /nfs/dbraw/zinc/67/27/55/811672755.db2.gz AFTVPEABSYOJDC-SFHVURJKSA-N 2 2 334.435 2.486 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001566070872 1125544441 /nfs/dbraw/zinc/54/44/41/1125544441.db2.gz JQWLTAWUXQHJEH-KRWDZBQOSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@H]([NH2+]CCOC2CCC2)C1 ZINC001566070872 1125544447 /nfs/dbraw/zinc/54/44/47/1125544447.db2.gz JQWLTAWUXQHJEH-KRWDZBQOSA-N 2 2 348.491 2.272 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCC(F)(F)C1 ZINC001566521014 1125691911 /nfs/dbraw/zinc/69/19/11/1125691911.db2.gz HVQNOFUPWNCMSR-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCCC(F)(F)C1 ZINC001566521014 1125691915 /nfs/dbraw/zinc/69/19/15/1125691915.db2.gz HVQNOFUPWNCMSR-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1cncs1 ZINC001566565924 1125743187 /nfs/dbraw/zinc/74/31/87/1125743187.db2.gz JSHGTRMSHPVELX-HUUCEWRRSA-N 2 2 347.488 2.009 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1cncs1 ZINC001566565924 1125743194 /nfs/dbraw/zinc/74/31/94/1125743194.db2.gz JSHGTRMSHPVELX-HUUCEWRRSA-N 2 2 347.488 2.009 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC001436793231 1088356414 /nfs/dbraw/zinc/35/64/14/1088356414.db2.gz CLKLUCMUOPTQQW-CYBMUJFWSA-N 2 2 345.365 2.070 10 0 EEAELP C[C@@H](CC(=O)NCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001437526165 1089954432 /nfs/dbraw/zinc/95/44/32/1089954432.db2.gz MAPGXTFBGZYRHH-UONOGXRCSA-N 2 2 328.407 2.318 10 0 EEAELP C[C@@H](CC(=O)NCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001437526165 1089954450 /nfs/dbraw/zinc/95/44/50/1089954450.db2.gz MAPGXTFBGZYRHH-UONOGXRCSA-N 2 2 328.407 2.318 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001437531660 1089964406 /nfs/dbraw/zinc/96/44/06/1089964406.db2.gz NWGFWIOHBZMZRZ-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001437531660 1089964419 /nfs/dbraw/zinc/96/44/19/1089964419.db2.gz NWGFWIOHBZMZRZ-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001437531660 1089964427 /nfs/dbraw/zinc/96/44/27/1089964427.db2.gz NWGFWIOHBZMZRZ-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001437531660 1089964442 /nfs/dbraw/zinc/96/44/42/1089964442.db2.gz NWGFWIOHBZMZRZ-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2cncc(F)c2)CC1 ZINC001437678800 1090212819 /nfs/dbraw/zinc/21/28/19/1090212819.db2.gz PCQSNMDADFLEPA-GOSISDBHSA-N 2 2 348.466 2.033 10 0 EEAELP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2Cc2cncc(F)c2)CC1 ZINC001437678800 1090212822 /nfs/dbraw/zinc/21/28/22/1090212822.db2.gz PCQSNMDADFLEPA-GOSISDBHSA-N 2 2 348.466 2.033 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001437913350 1090495687 /nfs/dbraw/zinc/49/56/87/1090495687.db2.gz TUTSQKBSTAZOOI-IRXDYDNUSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001437913350 1090495691 /nfs/dbraw/zinc/49/56/91/1090495691.db2.gz TUTSQKBSTAZOOI-IRXDYDNUSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001437913350 1090495694 /nfs/dbraw/zinc/49/56/94/1090495694.db2.gz TUTSQKBSTAZOOI-IRXDYDNUSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001437913350 1090495696 /nfs/dbraw/zinc/49/56/96/1090495696.db2.gz TUTSQKBSTAZOOI-IRXDYDNUSA-N 2 2 348.491 2.280 10 0 EEAELP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001438237486 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ZINC001443813833 1098309799 /nfs/dbraw/zinc/30/97/99/1098309799.db2.gz MGCNOVPSRFGYOO-HZPDHXFCSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001443813833 1098309807 /nfs/dbraw/zinc/30/98/07/1098309807.db2.gz MGCNOVPSRFGYOO-HZPDHXFCSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001443813833 1098309814 /nfs/dbraw/zinc/30/98/14/1098309814.db2.gz MGCNOVPSRFGYOO-HZPDHXFCSA-N 2 2 348.491 2.144 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@](C)(C[NH2+]Cc1ccsc1)C1CC1 ZINC001444128373 1098664652 /nfs/dbraw/zinc/66/46/52/1098664652.db2.gz WZOXEKDTIXIVAM-GOSISDBHSA-N 2 2 346.500 2.489 10 0 EEAELP Cc1ncc(C[NH2+]C[C@]2(NC(=O)Cc3[nH]cc[nH+]3)CCCC[C@H]2C)o1 ZINC001444153738 1098698832 /nfs/dbraw/zinc/69/88/32/1098698832.db2.gz MYJRUQMQTKIHNW-FZKQIMNGSA-N 2 2 345.447 2.104 10 0 EEAELP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001479757009 1098911122 /nfs/dbraw/zinc/91/11/22/1098911122.db2.gz 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218343972 /nfs/dbraw/zinc/34/39/72/218343972.db2.gz KQLUMHHCZCWISJ-UHFFFAOYSA-N 2 2 343.479 2.101 10 0 EEAELP Cc1cc(N2CCC([N@@H+](C)CCn3cncn3)CC2)nc(C(C)C)[nH+]1 ZINC000095407305 218343973 /nfs/dbraw/zinc/34/39/73/218343973.db2.gz KQLUMHHCZCWISJ-UHFFFAOYSA-N 2 2 343.479 2.101 10 0 EEAELP CC(C)c1cc(N2CC[NH+](CCC(=O)N(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000270482081 256139930 /nfs/dbraw/zinc/13/99/30/256139930.db2.gz IKWGUAWRZKTKJP-UHFFFAOYSA-N 2 2 347.507 2.324 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cncnc2)[C@@H]1c1cnn(C)c1 ZINC000328628245 258031415 /nfs/dbraw/zinc/03/14/15/258031415.db2.gz HBFZHSDNFOEALA-FUHWJXTLSA-N 2 2 328.464 2.115 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cncnc2)[C@@H]1c1cnn(C)c1 ZINC000328628245 258031416 /nfs/dbraw/zinc/03/14/16/258031416.db2.gz HBFZHSDNFOEALA-FUHWJXTLSA-N 2 2 328.464 2.115 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cncnc2)[C@@H]1c1cnn(C)c1 ZINC000328628245 258031418 /nfs/dbraw/zinc/03/14/18/258031418.db2.gz HBFZHSDNFOEALA-FUHWJXTLSA-N 2 2 328.464 2.115 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cncnc2)[C@@H]1c1cnn(C)c1 ZINC000328628245 258031419 /nfs/dbraw/zinc/03/14/19/258031419.db2.gz HBFZHSDNFOEALA-FUHWJXTLSA-N 2 2 328.464 2.115 10 0 EEAELP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299743957 258008958 /nfs/dbraw/zinc/00/89/58/258008958.db2.gz QDMZVTLQDFZASS-AWEZNQCLSA-N 2 2 327.432 2.267 10 0 EEAELP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299743957 258008960 /nfs/dbraw/zinc/00/89/60/258008960.db2.gz QDMZVTLQDFZASS-AWEZNQCLSA-N 2 2 327.432 2.267 10 0 EEAELP Clc1cccc(Cl)c1OCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262542717 152290222 /nfs/dbraw/zinc/29/02/22/152290222.db2.gz RHYFTTBDSKXYRR-CYBMUJFWSA-N 2 2 344.286 2.352 10 0 EEAELP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262693001 152307291 /nfs/dbraw/zinc/30/72/91/152307291.db2.gz ARVBYIFKKVNTCT-AWEZNQCLSA-N 2 2 329.435 2.289 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000263058943 152365646 /nfs/dbraw/zinc/36/56/46/152365646.db2.gz VFENXBWNPVMBFJ-HUUCEWRRSA-N 2 2 325.403 2.183 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[NH+](C4CC4)CC3)cn2c1 ZINC000127911039 292332860 /nfs/dbraw/zinc/33/28/60/292332860.db2.gz VEARCIUGCVAPEK-UHFFFAOYSA-N 2 2 344.484 2.183 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)CCO1 ZINC000092079745 159213863 /nfs/dbraw/zinc/21/38/63/159213863.db2.gz SLOKYHYZEVYONA-OAHLLOKOSA-N 2 2 341.459 2.157 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)CCO1 ZINC000092079745 159213865 /nfs/dbraw/zinc/21/38/65/159213865.db2.gz SLOKYHYZEVYONA-OAHLLOKOSA-N 2 2 341.459 2.157 10 0 EEAELP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CCOC)s1 ZINC000092745388 159226424 /nfs/dbraw/zinc/22/64/24/159226424.db2.gz FSJBYAXYBUWWMC-UKRRQHHQSA-N 2 2 341.521 2.402 10 0 EEAELP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CCOC)s1 ZINC000092745388 159226425 /nfs/dbraw/zinc/22/64/25/159226425.db2.gz FSJBYAXYBUWWMC-UKRRQHHQSA-N 2 2 341.521 2.402 10 0 EEAELP C[NH+]1CCC(CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000103306663 159275129 /nfs/dbraw/zinc/27/51/29/159275129.db2.gz IWXKWEPVBVNLAU-UHFFFAOYSA-N 2 2 345.491 2.082 10 0 EEAELP C[N@H+](CCOc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863473 159310179 /nfs/dbraw/zinc/31/01/79/159310179.db2.gz HQBFXCBTFCIJHX-UHFFFAOYSA-N 2 2 346.450 2.497 10 0 EEAELP C[N@@H+](CCOc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863473 159310182 /nfs/dbraw/zinc/31/01/82/159310182.db2.gz HQBFXCBTFCIJHX-UHFFFAOYSA-N 2 2 346.450 2.497 10 0 EEAELP CCC[N@H+](CC)CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186532970 160074138 /nfs/dbraw/zinc/07/41/38/160074138.db2.gz IKFBAFJBFJPTFV-UHFFFAOYSA-N 2 2 333.480 2.035 10 0 EEAELP CCC[N@@H+](CC)CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186532970 160074140 /nfs/dbraw/zinc/07/41/40/160074140.db2.gz IKFBAFJBFJPTFV-UHFFFAOYSA-N 2 2 333.480 2.035 10 0 EEAELP CCCN(CCC[NH+](C)C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000188680669 160126948 /nfs/dbraw/zinc/12/69/48/160126948.db2.gz GNJCJOXEMZCIAZ-UHFFFAOYSA-N 2 2 347.507 2.424 10 0 EEAELP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620298 160183714 /nfs/dbraw/zinc/18/37/14/160183714.db2.gz IAGYEKUDRAATFM-UPJWGTAASA-N 2 2 339.386 2.108 10 0 EEAELP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620298 160183716 /nfs/dbraw/zinc/18/37/16/160183716.db2.gz IAGYEKUDRAATFM-UPJWGTAASA-N 2 2 339.386 2.108 10 0 EEAELP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620298 160183718 /nfs/dbraw/zinc/18/37/18/160183718.db2.gz IAGYEKUDRAATFM-UPJWGTAASA-N 2 2 339.386 2.108 10 0 EEAELP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620298 160183719 /nfs/dbraw/zinc/18/37/19/160183719.db2.gz IAGYEKUDRAATFM-UPJWGTAASA-N 2 2 339.386 2.108 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000194829390 160201171 /nfs/dbraw/zinc/20/11/71/160201171.db2.gz SGISOUQISJMWAG-UHFFFAOYSA-N 2 2 327.413 2.297 10 0 EEAELP CC(C)c1noc([C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000245420225 160234410 /nfs/dbraw/zinc/23/44/10/160234410.db2.gz HIJDKFMHLQQMBH-JKSUJKDBSA-N 2 2 335.496 2.356 10 0 EEAELP CC(C)c1noc([C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000245420225 160234412 /nfs/dbraw/zinc/23/44/12/160234412.db2.gz HIJDKFMHLQQMBH-JKSUJKDBSA-N 2 2 335.496 2.356 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1c1ccccc1 ZINC000245733027 160250147 /nfs/dbraw/zinc/25/01/47/160250147.db2.gz KCEYQCSTEFTJES-VQIMIIECSA-N 2 2 337.471 2.421 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1c1ccccc1 ZINC000245733027 160250149 /nfs/dbraw/zinc/25/01/49/160250149.db2.gz KCEYQCSTEFTJES-VQIMIIECSA-N 2 2 337.471 2.421 10 0 EEAELP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000343190480 161111558 /nfs/dbraw/zinc/11/15/58/161111558.db2.gz FPIGKQIMHHSTST-CTNGQTDRSA-N 3 2 344.547 2.437 10 0 EEAELP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000343190480 161111559 /nfs/dbraw/zinc/11/15/59/161111559.db2.gz FPIGKQIMHHSTST-CTNGQTDRSA-N 3 2 344.547 2.437 10 0 EEAELP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000344794116 161246411 /nfs/dbraw/zinc/24/64/11/161246411.db2.gz XMDLADAZFLVSFJ-QMTMVMCOSA-N 2 2 333.476 2.070 10 0 EEAELP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000344794116 161246412 /nfs/dbraw/zinc/24/64/12/161246412.db2.gz XMDLADAZFLVSFJ-QMTMVMCOSA-N 2 2 333.476 2.070 10 0 EEAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCCc1c(F)cccc1F ZINC000345739772 161327744 /nfs/dbraw/zinc/32/77/44/161327744.db2.gz QEDMGKPYZSGMGB-UHFFFAOYSA-N 2 2 348.397 2.226 10 0 EEAELP CN(C(=O)NCCC1CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368641352 166096833 /nfs/dbraw/zinc/09/68/33/166096833.db2.gz GDGJUFHPRUPEJH-GOSISDBHSA-N 2 2 336.524 2.377 10 0 EEAELP CN(C(=O)NCCC1CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368641352 166096835 /nfs/dbraw/zinc/09/68/35/166096835.db2.gz GDGJUFHPRUPEJH-GOSISDBHSA-N 2 2 336.524 2.377 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC000369925538 166357510 /nfs/dbraw/zinc/35/75/10/166357510.db2.gz WRZIRVLYEAPOSX-INIZCTEOSA-N 2 2 333.480 2.371 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000369925538 166357513 /nfs/dbraw/zinc/35/75/13/166357513.db2.gz WRZIRVLYEAPOSX-INIZCTEOSA-N 2 2 333.480 2.371 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000374051460 167010390 /nfs/dbraw/zinc/01/03/90/167010390.db2.gz NVKMRNCPMRPZDY-UUXHPUJUSA-N 2 2 341.499 2.321 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000374051460 167010394 /nfs/dbraw/zinc/01/03/94/167010394.db2.gz NVKMRNCPMRPZDY-UUXHPUJUSA-N 2 2 341.499 2.321 10 0 EEAELP COCC[N@@H+]1CC[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000274724170 269046811 /nfs/dbraw/zinc/04/68/11/269046811.db2.gz FTRPBCGGDOIZRK-VQTJNVASSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[N@H+]1CC[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000274724170 269046813 /nfs/dbraw/zinc/04/68/13/269046813.db2.gz FTRPBCGGDOIZRK-VQTJNVASSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[NH+]1CC[C@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000274724170 269046815 /nfs/dbraw/zinc/04/68/15/269046815.db2.gz FTRPBCGGDOIZRK-VQTJNVASSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[NH+]1CC[C@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000274724170 269046816 /nfs/dbraw/zinc/04/68/16/269046816.db2.gz FTRPBCGGDOIZRK-VQTJNVASSA-N 2 2 331.504 2.207 10 0 EEAELP COCCN1CC[C@H]([NH2+]C[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000274724170 269046818 /nfs/dbraw/zinc/04/68/18/269046818.db2.gz FTRPBCGGDOIZRK-VQTJNVASSA-N 2 2 331.504 2.207 10 0 EEAELP COCCN1CC[C@H]([NH2+]C[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000274724170 269046820 /nfs/dbraw/zinc/04/68/20/269046820.db2.gz FTRPBCGGDOIZRK-VQTJNVASSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000278309622 269222981 /nfs/dbraw/zinc/22/29/81/269222981.db2.gz BERQDWHZQBOMHM-ZBFHGGJFSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000278309622 269222982 /nfs/dbraw/zinc/22/29/82/269222982.db2.gz BERQDWHZQBOMHM-ZBFHGGJFSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000278309622 269222983 /nfs/dbraw/zinc/22/29/83/269222983.db2.gz BERQDWHZQBOMHM-ZBFHGGJFSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000278309622 269222984 /nfs/dbraw/zinc/22/29/84/269222984.db2.gz BERQDWHZQBOMHM-ZBFHGGJFSA-N 2 2 332.444 2.445 10 0 EEAELP COc1c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)nn1C ZINC000190491476 274089562 /nfs/dbraw/zinc/08/95/62/274089562.db2.gz FBNNXEDSLUQRQS-KRWDZBQOSA-N 2 2 343.475 2.086 10 0 EEAELP COc1c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c(C)nn1C ZINC000190491476 274089564 /nfs/dbraw/zinc/08/95/64/274089564.db2.gz FBNNXEDSLUQRQS-KRWDZBQOSA-N 2 2 343.475 2.086 10 0 EEAELP COc1c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c(C)nn1C ZINC000190491476 274089567 /nfs/dbraw/zinc/08/95/67/274089567.db2.gz FBNNXEDSLUQRQS-KRWDZBQOSA-N 2 2 343.475 2.086 10 0 EEAELP COc1c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c(C)nn1C ZINC000190491476 274089569 /nfs/dbraw/zinc/08/95/69/274089569.db2.gz FBNNXEDSLUQRQS-KRWDZBQOSA-N 2 2 343.475 2.086 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCn3cc[nH+]c32)[C@@H](C)C1 ZINC000245412573 276315584 /nfs/dbraw/zinc/31/55/84/276315584.db2.gz ACTMFLBEEAFRRU-ULQDDVLXSA-N 2 2 348.491 2.014 10 0 EEAELP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCn3cc[nH+]c32)[C@@H](C)C1 ZINC000245412573 276315586 /nfs/dbraw/zinc/31/55/86/276315586.db2.gz ACTMFLBEEAFRRU-ULQDDVLXSA-N 2 2 348.491 2.014 10 0 EEAELP Fc1cccc(N2CCC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422755259 303134851 /nfs/dbraw/zinc/13/48/51/303134851.db2.gz GNEIIXAEFVTJPY-UHOSZYNNSA-N 2 2 333.451 2.151 10 0 EEAELP COc1cc2c(c(OC)c1OC)CC[N@H+](C[C@H]([NH3+])CC(C)C)CC2 ZINC000414739985 313074009 /nfs/dbraw/zinc/07/40/09/313074009.db2.gz CRFVROWSGVOOLJ-OAHLLOKOSA-N 2 2 336.476 2.486 10 0 EEAELP COc1cc2c(c(OC)c1OC)CC[N@@H+](C[C@H]([NH3+])CC(C)C)CC2 ZINC000414739985 313074013 /nfs/dbraw/zinc/07/40/13/313074013.db2.gz CRFVROWSGVOOLJ-OAHLLOKOSA-N 2 2 336.476 2.486 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)n1 ZINC000518747696 316743380 /nfs/dbraw/zinc/74/33/80/316743380.db2.gz UFVDNQNYHLYDRU-INIZCTEOSA-N 2 2 346.500 2.235 10 0 EEAELP CC[NH+]1CCN(c2ccc(CNc3[nH+]cccc3OC)cn2)CC1 ZINC000527852152 317275912 /nfs/dbraw/zinc/27/59/12/317275912.db2.gz QRZAMGAOFTYVPG-UHFFFAOYSA-N 2 2 327.432 2.239 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1=O ZINC000565217482 319163335 /nfs/dbraw/zinc/16/33/35/319163335.db2.gz RXDZXTSBYNWMOT-KRWDZBQOSA-N 2 2 337.427 2.182 10 0 EEAELP CCN(CC)C(=O)[C@H](c1ccccc1)[NH+]1CCC([NH2+]CCOC)CC1 ZINC000565545244 319192814 /nfs/dbraw/zinc/19/28/14/319192814.db2.gz ZBGMWUTWPCBMMC-IBGZPJMESA-N 2 2 347.503 2.297 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000565549448 319193105 /nfs/dbraw/zinc/19/31/05/319193105.db2.gz MJMJTZZFAFMUFF-UHFFFAOYSA-N 2 2 346.341 2.351 10 0 EEAELP CC[NH+]1CCN(c2cccc(NC(=O)C[NH+]3CC(C)(C)C3)c2)CC1 ZINC000568209315 319465673 /nfs/dbraw/zinc/46/56/73/319465673.db2.gz UOVBAIJMCGTZAM-UHFFFAOYSA-N 2 2 330.476 2.109 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000574684431 320047550 /nfs/dbraw/zinc/04/75/50/320047550.db2.gz NWFLTPPSSWYUAW-OAHLLOKOSA-N 2 2 337.439 2.163 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000574684431 320047553 /nfs/dbraw/zinc/04/75/53/320047553.db2.gz NWFLTPPSSWYUAW-OAHLLOKOSA-N 2 2 337.439 2.163 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183032936 323395831 /nfs/dbraw/zinc/39/58/31/323395831.db2.gz SPQHMUJJTPSWAQ-WBVHZDCISA-N 2 2 339.842 2.483 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183032936 323395833 /nfs/dbraw/zinc/39/58/33/323395833.db2.gz SPQHMUJJTPSWAQ-WBVHZDCISA-N 2 2 339.842 2.483 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(CCO)CCC3)c2cc1C ZINC000583204292 324616014 /nfs/dbraw/zinc/61/60/14/324616014.db2.gz GNSPCTCNAUXOPY-MRXNPFEDSA-N 2 2 331.460 2.156 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000601104462 449692807 /nfs/dbraw/zinc/69/28/07/449692807.db2.gz YGRWGKNPYSBDRW-CQSZACIVSA-N 2 2 332.448 2.177 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@H]2CC[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000601104462 449692810 /nfs/dbraw/zinc/69/28/10/449692810.db2.gz YGRWGKNPYSBDRW-CQSZACIVSA-N 2 2 332.448 2.177 10 0 EEAELP Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000328989783 465194257 /nfs/dbraw/zinc/19/42/57/465194257.db2.gz RYYSASHPHVXBTJ-YXJHDRRASA-N 2 2 328.416 2.046 10 0 EEAELP Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000328989783 465194262 /nfs/dbraw/zinc/19/42/62/465194262.db2.gz RYYSASHPHVXBTJ-YXJHDRRASA-N 2 2 328.416 2.046 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000298068249 465291382 /nfs/dbraw/zinc/29/13/82/465291382.db2.gz KEJKCMCFIOHXTC-UHFFFAOYSA-N 2 2 329.448 2.176 10 0 EEAELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000115792605 462727128 /nfs/dbraw/zinc/72/71/28/462727128.db2.gz DHUJPIJCDMYTOX-CYBMUJFWSA-N 2 2 349.866 2.471 10 0 EEAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000115792605 462727132 /nfs/dbraw/zinc/72/71/32/462727132.db2.gz DHUJPIJCDMYTOX-CYBMUJFWSA-N 2 2 349.866 2.471 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000047027352 462736313 /nfs/dbraw/zinc/73/63/13/462736313.db2.gz PRNPSXJMNXWWPK-OAHLLOKOSA-N 2 2 347.488 2.251 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000047027352 462736320 /nfs/dbraw/zinc/73/63/20/462736320.db2.gz PRNPSXJMNXWWPK-OAHLLOKOSA-N 2 2 347.488 2.251 10 0 EEAELP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000091318798 462872402 /nfs/dbraw/zinc/87/24/02/462872402.db2.gz GRVRTAOPDHQNPD-CQSZACIVSA-N 2 2 348.472 2.272 10 0 EEAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@@H](C)C1 ZINC000157050432 463093047 /nfs/dbraw/zinc/09/30/47/463093047.db2.gz ZYHVFQBHQFVRSG-RDJZCZTQSA-N 2 2 345.491 2.210 10 0 EEAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)[C@@H](C)C1 ZINC000157050432 463093051 /nfs/dbraw/zinc/09/30/51/463093051.db2.gz ZYHVFQBHQFVRSG-RDJZCZTQSA-N 2 2 345.491 2.210 10 0 EEAELP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157367894 463124022 /nfs/dbraw/zinc/12/40/22/463124022.db2.gz KRCUYVAWYGEDOO-SFHVURJKSA-N 2 2 345.487 2.262 10 0 EEAELP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157367894 463124026 /nfs/dbraw/zinc/12/40/26/463124026.db2.gz KRCUYVAWYGEDOO-SFHVURJKSA-N 2 2 345.487 2.262 10 0 EEAELP O=C(CCc1cc[nH+]c(N2CCCC2)c1)NCCC[NH+]1CCCC1 ZINC000096102096 463172863 /nfs/dbraw/zinc/17/28/63/463172863.db2.gz JIJLONNCWCFPDH-UHFFFAOYSA-N 2 2 330.476 2.217 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)o1 ZINC000123514376 463347674 /nfs/dbraw/zinc/34/76/74/463347674.db2.gz YFZVDGDJYHDHHI-RHSMWYFYSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)o1 ZINC000123514376 463347681 /nfs/dbraw/zinc/34/76/81/463347681.db2.gz YFZVDGDJYHDHHI-RHSMWYFYSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C2CC2)o1 ZINC000123514376 463347688 /nfs/dbraw/zinc/34/76/88/463347688.db2.gz YFZVDGDJYHDHHI-RHSMWYFYSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C2CC2)o1 ZINC000123514376 463347696 /nfs/dbraw/zinc/34/76/96/463347696.db2.gz YFZVDGDJYHDHHI-RHSMWYFYSA-N 2 2 333.476 2.494 10 0 EEAELP c1cn(-c2ccc(C[NH2+]C[C@@H]3CCCN3c3cccnn3)cc2)c[nH+]1 ZINC000072276741 463493313 /nfs/dbraw/zinc/49/33/13/463493313.db2.gz PEPNCLRZFDOFPM-SFHVURJKSA-N 2 2 334.427 2.421 10 0 EEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000106120700 463505318 /nfs/dbraw/zinc/50/53/18/463505318.db2.gz XQZVOQLOTYCOMU-IBGZPJMESA-N 2 2 335.467 2.053 10 0 EEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000106120700 463505324 /nfs/dbraw/zinc/50/53/24/463505324.db2.gz XQZVOQLOTYCOMU-IBGZPJMESA-N 2 2 335.467 2.053 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)N1CCc2sccc2C1 ZINC000083927583 463566855 /nfs/dbraw/zinc/56/68/55/463566855.db2.gz FFAFVCVNMOZYDP-ZIAGYGMSSA-N 2 2 344.484 2.385 10 0 EEAELP COc1ccccc1[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000072998325 463573224 /nfs/dbraw/zinc/57/32/24/463573224.db2.gz WRDCXNBQSRTETE-QGZVFWFLSA-N 2 2 342.443 2.235 10 0 EEAELP Fc1ccccc1C[NH+]1CCC([NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000058308841 463575012 /nfs/dbraw/zinc/57/50/12/463575012.db2.gz NITSMUKMCHIUQE-OAHLLOKOSA-N 2 2 343.450 2.318 10 0 EEAELP O=C(Cc1cn2ccccc2[nH+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000170812256 463711291 /nfs/dbraw/zinc/71/12/91/463711291.db2.gz RBTVRGDDLPFBNY-UHFFFAOYSA-N 2 2 326.444 2.211 10 0 EEAELP CCCC[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000177474496 463714219 /nfs/dbraw/zinc/71/42/19/463714219.db2.gz RXZLOGRUXVFKOW-KRWDZBQOSA-N 2 2 333.480 2.322 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000171629010 463896109 /nfs/dbraw/zinc/89/61/09/463896109.db2.gz OFSITJGHVWXLIN-UHFFFAOYSA-N 2 2 341.459 2.072 10 0 EEAELP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314066 463998987 /nfs/dbraw/zinc/99/89/87/463998987.db2.gz ZJYUAXCPMWWXCA-NQYYFHDYSA-N 2 2 329.488 2.356 10 0 EEAELP C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314066 463998992 /nfs/dbraw/zinc/99/89/92/463998992.db2.gz ZJYUAXCPMWWXCA-NQYYFHDYSA-N 2 2 329.488 2.356 10 0 EEAELP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515864 464063127 /nfs/dbraw/zinc/06/31/27/464063127.db2.gz HJZDQGXONQRJDH-DYVFJYSZSA-N 2 2 328.391 2.181 10 0 EEAELP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515864 464063140 /nfs/dbraw/zinc/06/31/40/464063140.db2.gz HJZDQGXONQRJDH-DYVFJYSZSA-N 2 2 328.391 2.181 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237144930 464273137 /nfs/dbraw/zinc/27/31/37/464273137.db2.gz NHADFEWWGSQSBY-HOCLYGCPSA-N 2 2 325.815 2.093 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237144930 464273144 /nfs/dbraw/zinc/27/31/44/464273144.db2.gz NHADFEWWGSQSBY-HOCLYGCPSA-N 2 2 325.815 2.093 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H]2CC(C)(C)OC2(C)C)nc[nH+]1 ZINC000180569314 464339163 /nfs/dbraw/zinc/33/91/63/464339163.db2.gz XNDWRHGLNFDUMI-KBPBESRZSA-N 2 2 333.480 2.423 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000237927699 464404894 /nfs/dbraw/zinc/40/48/94/464404894.db2.gz AJBLQHNHCWYUOX-IIYDPXPESA-N 2 2 337.414 2.173 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000237927699 464404900 /nfs/dbraw/zinc/40/49/00/464404900.db2.gz AJBLQHNHCWYUOX-IIYDPXPESA-N 2 2 337.414 2.173 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000237993825 464417017 /nfs/dbraw/zinc/41/70/17/464417017.db2.gz PMPRFFOXGYRQMY-PVAVHDDUSA-N 2 2 328.460 2.087 10 0 EEAELP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265510112 464586990 /nfs/dbraw/zinc/58/69/90/464586990.db2.gz RADUNCRXRGUULC-CQSZACIVSA-N 2 2 342.443 2.303 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)c1nnnn1-c1ccccc1 ZINC000246945862 464636267 /nfs/dbraw/zinc/63/62/67/464636267.db2.gz HWKXRSDQTIUAFQ-RHSMWYFYSA-N 2 2 337.431 2.393 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1nnnn1-c1ccccc1 ZINC000246945862 464636270 /nfs/dbraw/zinc/63/62/70/464636270.db2.gz HWKXRSDQTIUAFQ-RHSMWYFYSA-N 2 2 337.431 2.393 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cncc(Cl)c3)CC2)CC1 ZINC000294948203 464658729 /nfs/dbraw/zinc/65/87/29/464658729.db2.gz VSGITLKXIPOLLT-UHFFFAOYSA-N 2 2 336.867 2.023 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCC(F)(F)F ZINC000282116055 464702765 /nfs/dbraw/zinc/70/27/65/464702765.db2.gz QGCBPCCPGWSCAF-GFCCVEGCSA-N 2 2 344.381 2.077 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCC(F)(F)F ZINC000282116055 464702771 /nfs/dbraw/zinc/70/27/71/464702771.db2.gz QGCBPCCPGWSCAF-GFCCVEGCSA-N 2 2 344.381 2.077 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000265920491 464733076 /nfs/dbraw/zinc/73/30/76/464733076.db2.gz BWUPEMFDJXKYKJ-MAUKXSAKSA-N 2 2 326.444 2.486 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1C ZINC000265920491 464733081 /nfs/dbraw/zinc/73/30/81/464733081.db2.gz BWUPEMFDJXKYKJ-MAUKXSAKSA-N 2 2 326.444 2.486 10 0 EEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000248640172 464777815 /nfs/dbraw/zinc/77/78/15/464777815.db2.gz NDFCYYGVOHFSTH-MOPGFXCFSA-N 2 2 347.503 2.215 10 0 EEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000248640172 464777820 /nfs/dbraw/zinc/77/78/20/464777820.db2.gz NDFCYYGVOHFSTH-MOPGFXCFSA-N 2 2 347.503 2.215 10 0 EEAELP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000275580185 464781212 /nfs/dbraw/zinc/78/12/12/464781212.db2.gz OZRACDLHPOQCFZ-HNAYVOBHSA-N 2 2 341.459 2.151 10 0 EEAELP Cc1cn2cc(NC(=O)N3CC[NH+](CCOC(C)C)CC3)ccc2[nH+]1 ZINC000266882313 464856163 /nfs/dbraw/zinc/85/61/63/464856163.db2.gz ACJNRDTUXCDXQE-UHFFFAOYSA-N 2 2 345.447 2.217 10 0 EEAELP C[C@H]1COc2ccccc2C[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000359853649 465495489 /nfs/dbraw/zinc/49/54/89/465495489.db2.gz XAEGDRSNWYQNRO-HNNXBMFYSA-N 2 2 343.471 2.013 10 0 EEAELP C[C@H]1COc2ccccc2C[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000359853649 465495498 /nfs/dbraw/zinc/49/54/98/465495498.db2.gz XAEGDRSNWYQNRO-HNNXBMFYSA-N 2 2 343.471 2.013 10 0 EEAELP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000366278718 465629821 /nfs/dbraw/zinc/62/98/21/465629821.db2.gz CQEWNKKMQDCJSY-GOSISDBHSA-N 2 2 347.890 2.326 10 0 EEAELP COCCN(C)c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cn1 ZINC000366286543 465634254 /nfs/dbraw/zinc/63/42/54/465634254.db2.gz SDKRKZPILNJURT-UHFFFAOYSA-N 2 2 332.492 2.271 10 0 EEAELP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1=O ZINC000360992025 465687116 /nfs/dbraw/zinc/68/71/16/465687116.db2.gz YSOUKRNGDUZAIW-KWCYVHTRSA-N 2 2 333.398 2.002 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000361278253 465882130 /nfs/dbraw/zinc/88/21/30/465882130.db2.gz KQPVFTFJZNEEGW-KRWDZBQOSA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000361278253 465882132 /nfs/dbraw/zinc/88/21/32/465882132.db2.gz KQPVFTFJZNEEGW-KRWDZBQOSA-N 2 2 338.455 2.295 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000361323988 465909617 /nfs/dbraw/zinc/90/96/17/465909617.db2.gz KPZAFYRBBHHNBC-MRXNPFEDSA-N 2 2 341.459 2.224 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000361323988 465909625 /nfs/dbraw/zinc/90/96/25/465909625.db2.gz KPZAFYRBBHHNBC-MRXNPFEDSA-N 2 2 341.459 2.224 10 0 EEAELP CCOC(=O)c1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000600122644 468465844 /nfs/dbraw/zinc/46/58/44/468465844.db2.gz DMXXAHIJRXTEPW-UHFFFAOYSA-N 2 2 340.427 2.412 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000357984947 466366993 /nfs/dbraw/zinc/36/69/93/466366993.db2.gz BGECBHMBCXYRMI-APWZRJJASA-N 2 2 329.488 2.150 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000357984947 466367002 /nfs/dbraw/zinc/36/70/02/466367002.db2.gz BGECBHMBCXYRMI-APWZRJJASA-N 2 2 329.488 2.150 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)s1 ZINC000597253086 468497616 /nfs/dbraw/zinc/49/76/16/468497616.db2.gz JWGUHYXKSMQAAF-LBPRGKRZSA-N 2 2 346.456 2.452 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)s1 ZINC000597253086 468497618 /nfs/dbraw/zinc/49/76/18/468497618.db2.gz JWGUHYXKSMQAAF-LBPRGKRZSA-N 2 2 346.456 2.452 10 0 EEAELP c1cc(N[C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423243482 466702769 /nfs/dbraw/zinc/70/27/69/466702769.db2.gz ZXXYAIKHYJLHTI-IXDOHACOSA-N 2 2 330.476 2.498 10 0 EEAELP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000417081736 466774120 /nfs/dbraw/zinc/77/41/20/466774120.db2.gz UCTDYOYZAYNZBO-YJBOKZPZSA-N 2 2 341.459 2.200 10 0 EEAELP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000375366751 466837333 /nfs/dbraw/zinc/83/73/33/466837333.db2.gz CZHGKMPOQMBUSJ-QAPCUYQASA-N 2 2 336.524 2.375 10 0 EEAELP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000375366751 466837336 /nfs/dbraw/zinc/83/73/36/466837336.db2.gz CZHGKMPOQMBUSJ-QAPCUYQASA-N 2 2 336.524 2.375 10 0 EEAELP O=C1O[C@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC12CC2 ZINC000375696978 466865111 /nfs/dbraw/zinc/86/51/11/466865111.db2.gz KXBQPFSYVZXUSJ-HOCLYGCPSA-N 2 2 329.444 2.495 10 0 EEAELP O=C1O[C@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC12CC2 ZINC000375696978 466865117 /nfs/dbraw/zinc/86/51/17/466865117.db2.gz KXBQPFSYVZXUSJ-HOCLYGCPSA-N 2 2 329.444 2.495 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983088 467010216 /nfs/dbraw/zinc/01/02/16/467010216.db2.gz LNJXUNQTYYNAJU-HUUCEWRRSA-N 2 2 342.846 2.133 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983088 467010223 /nfs/dbraw/zinc/01/02/23/467010223.db2.gz LNJXUNQTYYNAJU-HUUCEWRRSA-N 2 2 342.846 2.133 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000418720523 467150085 /nfs/dbraw/zinc/15/00/85/467150085.db2.gz JZCOSUOIOLHWET-KBPBESRZSA-N 2 2 349.866 2.484 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000378079001 467193108 /nfs/dbraw/zinc/19/31/08/467193108.db2.gz MBDQDRQYEBOBOH-PBHICJAKSA-N 2 2 333.480 2.077 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000378079001 467193110 /nfs/dbraw/zinc/19/31/10/467193110.db2.gz MBDQDRQYEBOBOH-PBHICJAKSA-N 2 2 333.480 2.077 10 0 EEAELP CC(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428224190 467213873 /nfs/dbraw/zinc/21/38/73/467213873.db2.gz CLDCMBUTDOZZGZ-IRXDYDNUSA-N 2 2 330.476 2.097 10 0 EEAELP CC(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428224190 467213879 /nfs/dbraw/zinc/21/38/79/467213879.db2.gz CLDCMBUTDOZZGZ-IRXDYDNUSA-N 2 2 330.476 2.097 10 0 EEAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420358104 467376437 /nfs/dbraw/zinc/37/64/37/467376437.db2.gz DXJRGWHDRVWNAV-WOJBJXKFSA-N 2 2 327.472 2.329 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000420358104 467376441 /nfs/dbraw/zinc/37/64/41/467376441.db2.gz DXJRGWHDRVWNAV-WOJBJXKFSA-N 2 2 327.472 2.329 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371710 467382313 /nfs/dbraw/zinc/38/23/13/467382313.db2.gz LVVUPFDXABOPCI-OXJNMPFZSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371710 467382316 /nfs/dbraw/zinc/38/23/16/467382316.db2.gz LVVUPFDXABOPCI-OXJNMPFZSA-N 2 2 327.472 2.430 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414929294 467452370 /nfs/dbraw/zinc/45/23/70/467452370.db2.gz NRXQKKUUCQWREG-WWGRRREGSA-N 2 2 335.448 2.009 10 0 EEAELP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C2CC2)c1 ZINC000453267702 467474000 /nfs/dbraw/zinc/47/40/00/467474000.db2.gz PORREMSLBVKFCC-ICSRJNTNSA-N 2 2 332.488 2.453 10 0 EEAELP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C2CC2)c1 ZINC000453267702 467474003 /nfs/dbraw/zinc/47/40/03/467474003.db2.gz PORREMSLBVKFCC-ICSRJNTNSA-N 2 2 332.488 2.453 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)OCO2 ZINC000449556746 467662092 /nfs/dbraw/zinc/66/20/92/467662092.db2.gz OBDAWFXPGAODGU-MQVJKMGUSA-N 2 2 348.443 2.155 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)OCO2 ZINC000449556746 467662094 /nfs/dbraw/zinc/66/20/94/467662094.db2.gz OBDAWFXPGAODGU-MQVJKMGUSA-N 2 2 348.443 2.155 10 0 EEAELP CC(C)(C[NH+]1CCCC1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457787368 467704171 /nfs/dbraw/zinc/70/41/71/467704171.db2.gz NNYHKIXOAPSQOE-UHFFFAOYSA-N 2 2 345.491 2.224 10 0 EEAELP C[NH+](C)CCCC(C)(C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457790637 467704643 /nfs/dbraw/zinc/70/46/43/467704643.db2.gz QNGQDZWENYFMFE-UHFFFAOYSA-N 2 2 347.507 2.470 10 0 EEAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C1CC(F)(F)C1 ZINC000529568025 467881865 /nfs/dbraw/zinc/88/18/65/467881865.db2.gz ZNUQQDWJLUKSJL-PRTUASRFSA-N 2 2 329.435 2.093 10 0 EEAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C1CC(F)(F)C1 ZINC000529568025 467881871 /nfs/dbraw/zinc/88/18/71/467881871.db2.gz ZNUQQDWJLUKSJL-PRTUASRFSA-N 2 2 329.435 2.093 10 0 EEAELP c1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nnn1CC1CC1 ZINC000450703225 467894423 /nfs/dbraw/zinc/89/44/23/467894423.db2.gz BYAIMHLNFQPKDC-UHFFFAOYSA-N 2 2 347.507 2.013 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@@H]([NH+](C)C)C1 ZINC000514641810 467944808 /nfs/dbraw/zinc/94/48/08/467944808.db2.gz MHTTVPRHSPJYHT-RHSMWYFYSA-N 2 2 341.459 2.430 10 0 EEAELP CN1CC[NH+](C[C@@H](O)CNc2ccc([NH2+]CC3CCCC3)cc2)CC1 ZINC000514933435 467963951 /nfs/dbraw/zinc/96/39/51/467963951.db2.gz XHCUSKUZBDYXPW-FQEVSTJZSA-N 2 2 346.519 2.309 10 0 EEAELP C[NH+]1CCN(C[C@@H](O)CNc2ccc([NH2+]CC3CCCC3)cc2)CC1 ZINC000514933435 467963953 /nfs/dbraw/zinc/96/39/53/467963953.db2.gz XHCUSKUZBDYXPW-FQEVSTJZSA-N 2 2 346.519 2.309 10 0 EEAELP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000517326909 468081638 /nfs/dbraw/zinc/08/16/38/468081638.db2.gz RRQCAOJIFPXVCV-HNNXBMFYSA-N 2 2 326.444 2.420 10 0 EEAELP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000517326909 468081640 /nfs/dbraw/zinc/08/16/40/468081640.db2.gz RRQCAOJIFPXVCV-HNNXBMFYSA-N 2 2 326.444 2.420 10 0 EEAELP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000532966601 468155621 /nfs/dbraw/zinc/15/56/21/468155621.db2.gz FQMFPPXBCVKMBC-HINLZNOGSA-N 2 2 345.531 2.489 10 0 EEAELP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000532966601 468155625 /nfs/dbraw/zinc/15/56/25/468155625.db2.gz FQMFPPXBCVKMBC-HINLZNOGSA-N 2 2 345.531 2.489 10 0 EEAELP COC(=O)C(C)(C)[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000489909889 468176830 /nfs/dbraw/zinc/17/68/30/468176830.db2.gz HOOOUPCTWYMWDH-UHFFFAOYSA-N 2 2 331.391 2.448 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000557663798 468645522 /nfs/dbraw/zinc/64/55/22/468645522.db2.gz NRZUJFDNSJVNGP-PZPSRYQVSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000557663798 468645524 /nfs/dbraw/zinc/64/55/24/468645524.db2.gz NRZUJFDNSJVNGP-PZPSRYQVSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000557663798 468645527 /nfs/dbraw/zinc/64/55/27/468645527.db2.gz NRZUJFDNSJVNGP-PZPSRYQVSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000557663798 468645528 /nfs/dbraw/zinc/64/55/28/468645528.db2.gz NRZUJFDNSJVNGP-PZPSRYQVSA-N 2 2 337.414 2.168 10 0 EEAELP CCCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(=O)OC ZINC000594709312 468659675 /nfs/dbraw/zinc/65/96/75/468659675.db2.gz GTHPPODAJMDZEH-KRWDZBQOSA-N 2 2 326.481 2.199 10 0 EEAELP CN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601230065 468791076 /nfs/dbraw/zinc/79/10/76/468791076.db2.gz PRSWJDSDPFRLKX-HNNXBMFYSA-N 2 2 347.850 2.366 10 0 EEAELP CN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000601230065 468791081 /nfs/dbraw/zinc/79/10/81/468791081.db2.gz PRSWJDSDPFRLKX-HNNXBMFYSA-N 2 2 347.850 2.366 10 0 EEAELP CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)n2CC ZINC000601326524 468827859 /nfs/dbraw/zinc/82/78/59/468827859.db2.gz OSMGIKNDWOUGAM-UKRRQHHQSA-N 2 2 344.459 2.260 10 0 EEAELP CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)n2CC ZINC000601326524 468827863 /nfs/dbraw/zinc/82/78/63/468827863.db2.gz OSMGIKNDWOUGAM-UKRRQHHQSA-N 2 2 344.459 2.260 10 0 EEAELP Cc1[nH+]c2ccc(C(=O)N3CCC4(C3)CC[NH+](C)CC4)cc2n1C ZINC000614964273 469108008 /nfs/dbraw/zinc/10/80/08/469108008.db2.gz WDMAZGWBIJKLRJ-UHFFFAOYSA-N 2 2 326.444 2.440 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588976683 469184818 /nfs/dbraw/zinc/18/48/18/469184818.db2.gz UJSYICPWXVZCEM-LSDHHAIUSA-N 2 2 333.480 2.139 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588976683 469184822 /nfs/dbraw/zinc/18/48/22/469184822.db2.gz UJSYICPWXVZCEM-LSDHHAIUSA-N 2 2 333.480 2.139 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)ccc2[nH+]1 ZINC000599405769 469246703 /nfs/dbraw/zinc/24/67/03/469246703.db2.gz ONJORHRMBIIKIR-MRXNPFEDSA-N 2 2 345.447 2.121 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)ccc2[nH+]1 ZINC000599405769 469246709 /nfs/dbraw/zinc/24/67/09/469246709.db2.gz ONJORHRMBIIKIR-MRXNPFEDSA-N 2 2 345.447 2.121 10 0 EEAELP COC(=O)c1ccc(F)c2c1C[N@H+](CCCc1c[nH+]cn1C)CC2 ZINC000599550089 469289866 /nfs/dbraw/zinc/28/98/66/469289866.db2.gz XMHFREDMFLUWHW-UHFFFAOYSA-N 2 2 331.391 2.337 10 0 EEAELP COC(=O)c1ccc(F)c2c1C[N@@H+](CCCc1c[nH+]cn1C)CC2 ZINC000599550089 469289870 /nfs/dbraw/zinc/28/98/70/469289870.db2.gz XMHFREDMFLUWHW-UHFFFAOYSA-N 2 2 331.391 2.337 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000618547761 469385080 /nfs/dbraw/zinc/38/50/80/469385080.db2.gz ZKEWRPFTDNGWSU-BBRMVZONSA-N 2 2 338.883 2.336 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000618547761 469385084 /nfs/dbraw/zinc/38/50/84/469385084.db2.gz ZKEWRPFTDNGWSU-BBRMVZONSA-N 2 2 338.883 2.336 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)CC2 ZINC000626032725 469476392 /nfs/dbraw/zinc/47/63/92/469476392.db2.gz SHMDNWDKIAKXQF-OAHLLOKOSA-N 2 2 346.500 2.406 10 0 EEAELP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C[NH2+]1 ZINC000629397431 469530550 /nfs/dbraw/zinc/53/05/50/469530550.db2.gz VEISCXKBUDTRGS-ZYHUDNBSSA-N 2 2 341.249 2.450 10 0 EEAELP Cc1cccc2c1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CO2 ZINC000629588640 469586827 /nfs/dbraw/zinc/58/68/27/469586827.db2.gz KFFSIBSDCOYYLP-OALUTQOASA-N 2 2 340.467 2.381 10 0 EEAELP Cc1cccc2c1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CO2 ZINC000629588640 469586831 /nfs/dbraw/zinc/58/68/31/469586831.db2.gz KFFSIBSDCOYYLP-OALUTQOASA-N 2 2 340.467 2.381 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629593727 469588682 /nfs/dbraw/zinc/58/86/82/469588682.db2.gz JQAXXFZBWNFBQE-BGYRXZFFSA-N 2 2 345.487 2.023 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629593727 469588687 /nfs/dbraw/zinc/58/86/87/469588687.db2.gz JQAXXFZBWNFBQE-BGYRXZFFSA-N 2 2 345.487 2.023 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000612993628 469602661 /nfs/dbraw/zinc/60/26/61/469602661.db2.gz CVZCBVIRZDJDRW-HUUCEWRRSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000612993628 469602665 /nfs/dbraw/zinc/60/26/65/469602665.db2.gz CVZCBVIRZDJDRW-HUUCEWRRSA-N 2 2 339.842 2.435 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000623415286 469650671 /nfs/dbraw/zinc/65/06/71/469650671.db2.gz GNZMRHWFIODPLJ-DLBZAZTESA-N 2 2 326.444 2.173 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000607519730 469695693 /nfs/dbraw/zinc/69/56/93/469695693.db2.gz FYUOZPAHPSFPJV-NVXWUHKLSA-N 2 2 328.460 2.374 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000607519730 469695697 /nfs/dbraw/zinc/69/56/97/469695697.db2.gz FYUOZPAHPSFPJV-NVXWUHKLSA-N 2 2 328.460 2.374 10 0 EEAELP CCC(=O)c1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000626726938 469696460 /nfs/dbraw/zinc/69/64/60/469696460.db2.gz NPZYNFCVWHWBCV-UHFFFAOYSA-N 2 2 334.464 2.284 10 0 EEAELP CCC(=O)c1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000626726938 469696471 /nfs/dbraw/zinc/69/64/71/469696471.db2.gz NPZYNFCVWHWBCV-UHFFFAOYSA-N 2 2 334.464 2.284 10 0 EEAELP COCCn1cc(C[NH2+][C@@H](Cc2[nH+]ccn2C)c2ccccc2)cn1 ZINC000608072900 469766768 /nfs/dbraw/zinc/76/67/68/469766768.db2.gz MIOVZHOASWZULX-SFHVURJKSA-N 2 2 339.443 2.337 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1O ZINC000617764840 469796667 /nfs/dbraw/zinc/79/66/67/469796667.db2.gz IXTIFYUAGHRABL-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)F)cc1O ZINC000617764840 469796670 /nfs/dbraw/zinc/79/66/70/469796670.db2.gz IXTIFYUAGHRABL-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)cc1 ZINC000617768430 469798411 /nfs/dbraw/zinc/79/84/11/469798411.db2.gz CTOUEHDKBDYWCU-UHFFFAOYSA-N 2 2 342.281 2.062 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)cc1 ZINC000617768430 469798414 /nfs/dbraw/zinc/79/84/14/469798414.db2.gz CTOUEHDKBDYWCU-UHFFFAOYSA-N 2 2 342.281 2.062 10 0 EEAELP C[NH+]1CCC(CCO)([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621368670 470038062 /nfs/dbraw/zinc/03/80/62/470038062.db2.gz YYAPBGBJAKOZLB-UHFFFAOYSA-N 2 2 342.487 2.062 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000624953466 470050222 /nfs/dbraw/zinc/05/02/22/470050222.db2.gz OHLDZNFUEVCUTP-HNNXBMFYSA-N 2 2 342.443 2.333 10 0 EEAELP Cc1c[nH]c(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000628324694 470091712 /nfs/dbraw/zinc/09/17/12/470091712.db2.gz FERBUIAQXCIKQT-MSOLQXFVSA-N 2 2 326.444 2.193 10 0 EEAELP Cc1c[nH]c(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000628324694 470091713 /nfs/dbraw/zinc/09/17/13/470091713.db2.gz FERBUIAQXCIKQT-MSOLQXFVSA-N 2 2 326.444 2.193 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631224417 470097876 /nfs/dbraw/zinc/09/78/76/470097876.db2.gz WEEBIUXHJVJNNI-GOSISDBHSA-N 2 2 326.444 2.405 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631224417 470097879 /nfs/dbraw/zinc/09/78/79/470097879.db2.gz WEEBIUXHJVJNNI-GOSISDBHSA-N 2 2 326.444 2.405 10 0 EEAELP C[C@@H]1C[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631840914 470186643 /nfs/dbraw/zinc/18/66/43/470186643.db2.gz WDPCTJZMMOXEOO-ZIAGYGMSSA-N 2 2 344.484 2.351 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631840914 470186644 /nfs/dbraw/zinc/18/66/44/470186644.db2.gz WDPCTJZMMOXEOO-ZIAGYGMSSA-N 2 2 344.484 2.351 10 0 EEAELP C[C@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000631842447 470187105 /nfs/dbraw/zinc/18/71/05/470187105.db2.gz AMQLNNQDBLHONR-JQWIXIFHSA-N 2 2 341.249 2.247 10 0 EEAELP C[C@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000631842447 470187106 /nfs/dbraw/zinc/18/71/06/470187106.db2.gz AMQLNNQDBLHONR-JQWIXIFHSA-N 2 2 341.249 2.247 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885521 470189267 /nfs/dbraw/zinc/18/92/67/470189267.db2.gz BJINEHXAAJYYOC-JSGCOSHPSA-N 2 2 341.908 2.434 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885521 470189268 /nfs/dbraw/zinc/18/92/68/470189268.db2.gz BJINEHXAAJYYOC-JSGCOSHPSA-N 2 2 341.908 2.434 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887159 470189524 /nfs/dbraw/zinc/18/95/24/470189524.db2.gz OFYSMZFWFJHCAY-FUHWJXTLSA-N 2 2 347.528 2.277 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887159 470189525 /nfs/dbraw/zinc/18/95/25/470189525.db2.gz OFYSMZFWFJHCAY-FUHWJXTLSA-N 2 2 347.528 2.277 10 0 EEAELP CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000632216668 470208417 /nfs/dbraw/zinc/20/84/17/470208417.db2.gz KYPWWXPNBVXHQL-CVEARBPZSA-N 2 2 326.444 2.356 10 0 EEAELP CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000632216668 470208418 /nfs/dbraw/zinc/20/84/18/470208418.db2.gz KYPWWXPNBVXHQL-CVEARBPZSA-N 2 2 326.444 2.356 10 0 EEAELP F[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@H]1CC[NH2+]C1 ZINC000634554979 470266388 /nfs/dbraw/zinc/26/63/88/470266388.db2.gz VHUPOESNWZGOGC-HOTGVXAUSA-N 2 2 346.406 2.189 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634700300 470281294 /nfs/dbraw/zinc/28/12/94/470281294.db2.gz WWZUTEHOKVUNNG-VQIMIIECSA-N 2 2 331.460 2.236 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000639326691 470468693 /nfs/dbraw/zinc/46/86/93/470468693.db2.gz HPFAOIOZZKILJH-OAQYLSRUSA-N 2 2 339.483 2.085 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000639326691 470468698 /nfs/dbraw/zinc/46/86/98/470468698.db2.gz HPFAOIOZZKILJH-OAQYLSRUSA-N 2 2 339.483 2.085 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)C2)CC1 ZINC000642399023 470549794 /nfs/dbraw/zinc/54/97/94/470549794.db2.gz MVXCRBYJPKPVFU-AEFFLSMTSA-N 2 2 346.519 2.129 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC4(CCC4)[C@@H]3C3CC3)C2)CC1 ZINC000642399023 470549798 /nfs/dbraw/zinc/54/97/98/470549798.db2.gz MVXCRBYJPKPVFU-AEFFLSMTSA-N 2 2 346.519 2.129 10 0 EEAELP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000647814769 470990830 /nfs/dbraw/zinc/99/08/30/470990830.db2.gz FCQZZNGSDDTUKJ-LBPRGKRZSA-N 2 2 333.398 2.004 10 0 EEAELP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000647814769 470990831 /nfs/dbraw/zinc/99/08/31/470990831.db2.gz FCQZZNGSDDTUKJ-LBPRGKRZSA-N 2 2 333.398 2.004 10 0 EEAELP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N[C@@H]1CCCc2ccccc21 ZINC000647814670 470990878 /nfs/dbraw/zinc/99/08/78/470990878.db2.gz YYYBXKSXBIGTEG-LJQANCHMSA-N 2 2 327.472 2.397 10 0 EEAELP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N[C@@H]1CCCc2ccccc21 ZINC000647814670 470990882 /nfs/dbraw/zinc/99/08/82/470990882.db2.gz YYYBXKSXBIGTEG-LJQANCHMSA-N 2 2 327.472 2.397 10 0 EEAELP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899773 471011186 /nfs/dbraw/zinc/01/11/86/471011186.db2.gz WFPLAPGCIIIBJM-XHSDSOJGSA-N 2 2 331.460 2.486 10 0 EEAELP COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899773 471011190 /nfs/dbraw/zinc/01/11/90/471011190.db2.gz WFPLAPGCIIIBJM-XHSDSOJGSA-N 2 2 331.460 2.486 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCc1cc(F)cc(F)c1 ZINC000647900731 471011681 /nfs/dbraw/zinc/01/16/81/471011681.db2.gz FUELTRSRIJJNPV-RHSMWYFYSA-N 2 2 337.414 2.045 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCc1cc(F)cc(F)c1 ZINC000647900731 471011685 /nfs/dbraw/zinc/01/16/85/471011685.db2.gz FUELTRSRIJJNPV-RHSMWYFYSA-N 2 2 337.414 2.045 10 0 EEAELP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000644693794 471014745 /nfs/dbraw/zinc/01/47/45/471014745.db2.gz CTFMMOBIXIJNKS-MJGOQNOKSA-N 2 2 347.503 2.479 10 0 EEAELP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000644693794 471014747 /nfs/dbraw/zinc/01/47/47/471014747.db2.gz CTFMMOBIXIJNKS-MJGOQNOKSA-N 2 2 347.503 2.479 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162203 471106998 /nfs/dbraw/zinc/10/69/98/471106998.db2.gz ORLXIIMELHFUMK-RBSFLKMASA-N 2 2 325.815 2.093 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162203 471107000 /nfs/dbraw/zinc/10/70/00/471107000.db2.gz ORLXIIMELHFUMK-RBSFLKMASA-N 2 2 325.815 2.093 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000645328749 471217161 /nfs/dbraw/zinc/21/71/61/471217161.db2.gz ZDXMMUCMOKEDBA-KZNAEPCWSA-N 2 2 348.535 2.425 10 0 EEAELP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCO1 ZINC000657802402 471236248 /nfs/dbraw/zinc/23/62/48/471236248.db2.gz ZSVHMXXFAZEMEH-VAMGGRTRSA-N 2 2 331.504 2.350 10 0 EEAELP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCO1 ZINC000657802402 471236250 /nfs/dbraw/zinc/23/62/50/471236250.db2.gz ZSVHMXXFAZEMEH-VAMGGRTRSA-N 2 2 331.504 2.350 10 0 EEAELP O=C(NCCC1CC[NH2+]CC1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000652124240 471239703 /nfs/dbraw/zinc/23/97/03/471239703.db2.gz UWRYLVOCBKDLBG-UHFFFAOYSA-N 2 2 335.839 2.177 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C[C@H]1C[NH3+] ZINC000652358038 471278992 /nfs/dbraw/zinc/27/89/92/471278992.db2.gz ZWRDUNNOXKUQCU-QRVBRYPASA-N 2 2 345.487 2.036 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C(=O)N2CCCCC2)c2ccccc2)C[C@H]1C[NH3+] ZINC000652358038 471278994 /nfs/dbraw/zinc/27/89/94/471278994.db2.gz ZWRDUNNOXKUQCU-QRVBRYPASA-N 2 2 345.487 2.036 10 0 EEAELP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341920 471290290 /nfs/dbraw/zinc/29/02/90/471290290.db2.gz KPRUNRRUHVXTCO-APWZRJJASA-N 2 2 341.503 2.195 10 0 EEAELP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341920 471290292 /nfs/dbraw/zinc/29/02/92/471290292.db2.gz KPRUNRRUHVXTCO-APWZRJJASA-N 2 2 341.503 2.195 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000655736275 471460964 /nfs/dbraw/zinc/46/09/64/471460964.db2.gz FCTJFEYPJYXCRE-KXBFYZLASA-N 2 2 341.459 2.171 10 0 EEAELP CC(C)n1ncc2c1C[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000655760192 471474077 /nfs/dbraw/zinc/47/40/77/471474077.db2.gz LQYOTSZULXJQBK-ROUUACIJSA-N 2 2 332.492 2.164 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659036334 471478138 /nfs/dbraw/zinc/47/81/38/471478138.db2.gz CGNKNNXKVTUGDT-KRWDZBQOSA-N 2 2 343.431 2.098 10 0 EEAELP CC(C)Oc1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000667185126 471685175 /nfs/dbraw/zinc/68/51/75/471685175.db2.gz HLDSAXDDGKISDS-UHFFFAOYSA-N 2 2 336.480 2.479 10 0 EEAELP CC(C)Oc1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000667185126 471685178 /nfs/dbraw/zinc/68/51/78/471685178.db2.gz HLDSAXDDGKISDS-UHFFFAOYSA-N 2 2 336.480 2.479 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc2ccccc2s1 ZINC000664331147 471721203 /nfs/dbraw/zinc/72/12/03/471721203.db2.gz PVCLJPDTKMKRMN-UHFFFAOYSA-N 2 2 335.477 2.301 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc2ccccc2s1 ZINC000664331147 471721208 /nfs/dbraw/zinc/72/12/08/471721208.db2.gz PVCLJPDTKMKRMN-UHFFFAOYSA-N 2 2 335.477 2.301 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779336 471739186 /nfs/dbraw/zinc/73/91/86/471739186.db2.gz WNJSTSNRFDRGSY-ZWKOTPCHSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779336 471739187 /nfs/dbraw/zinc/73/91/87/471739187.db2.gz WNJSTSNRFDRGSY-ZWKOTPCHSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779336 471739193 /nfs/dbraw/zinc/73/91/93/471739193.db2.gz WNJSTSNRFDRGSY-ZWKOTPCHSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779336 471739196 /nfs/dbraw/zinc/73/91/96/471739196.db2.gz WNJSTSNRFDRGSY-ZWKOTPCHSA-N 2 2 338.467 2.162 10 0 EEAELP C[C@H]1COC2(CCC2)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661471070 471768474 /nfs/dbraw/zinc/76/84/74/471768474.db2.gz XHASLGXCMBFURW-WMZOPIPTSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@H]1COC2(CCC2)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661471070 471768476 /nfs/dbraw/zinc/76/84/76/471768476.db2.gz XHASLGXCMBFURW-WMZOPIPTSA-N 2 2 345.487 2.049 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@](O)(C4CC4)C3)c2cc1C ZINC000661631637 471834923 /nfs/dbraw/zinc/83/49/23/471834923.db2.gz GZTSPNUVMYLVMI-XLIONFOSSA-N 2 2 343.471 2.251 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@](O)(C4CC4)C3)c2cc1C ZINC000661631637 471834926 /nfs/dbraw/zinc/83/49/26/471834926.db2.gz GZTSPNUVMYLVMI-XLIONFOSSA-N 2 2 343.471 2.251 10 0 EEAELP C[C@@H]1C[C@]2(CCO1)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H](C)O2 ZINC000668098391 472008048 /nfs/dbraw/zinc/00/80/48/472008048.db2.gz HPTNXTZEJXFUNO-JTDSTZFVSA-N 2 2 342.443 2.426 10 0 EEAELP C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H](C)O2 ZINC000668098391 472008053 /nfs/dbraw/zinc/00/80/53/472008053.db2.gz HPTNXTZEJXFUNO-JTDSTZFVSA-N 2 2 342.443 2.426 10 0 EEAELP COc1cccc(SCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662147165 472009026 /nfs/dbraw/zinc/00/90/26/472009026.db2.gz CPRKAEPWWVPRGM-MRXNPFEDSA-N 2 2 336.501 2.318 10 0 EEAELP COc1cccc(SCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662147165 472009033 /nfs/dbraw/zinc/00/90/33/472009033.db2.gz CPRKAEPWWVPRGM-MRXNPFEDSA-N 2 2 336.501 2.318 10 0 EEAELP [NH3+]CC12CC(C1)C[N@@H+]2CCOc1cc(F)cc(Br)c1 ZINC000662304188 472063855 /nfs/dbraw/zinc/06/38/55/472063855.db2.gz LWUXMKIPMAEUKF-UHFFFAOYSA-N 2 2 329.213 2.390 10 0 EEAELP [NH3+]CC12CC(C1)C[N@H+]2CCOc1cc(F)cc(Br)c1 ZINC000662304188 472063859 /nfs/dbraw/zinc/06/38/59/472063859.db2.gz LWUXMKIPMAEUKF-UHFFFAOYSA-N 2 2 329.213 2.390 10 0 EEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317268 472067215 /nfs/dbraw/zinc/06/72/15/472067215.db2.gz NZVNWZXRQVRHEF-PKOBYXMFSA-N 2 2 347.503 2.249 10 0 EEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317268 472067218 /nfs/dbraw/zinc/06/72/18/472067218.db2.gz NZVNWZXRQVRHEF-PKOBYXMFSA-N 2 2 347.503 2.249 10 0 EEAELP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC000662324979 472071248 /nfs/dbraw/zinc/07/12/48/472071248.db2.gz GMEQCQBOAOMVIY-CHWSQXEVSA-N 2 2 333.329 2.405 10 0 EEAELP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1F ZINC000662324979 472071251 /nfs/dbraw/zinc/07/12/51/472071251.db2.gz GMEQCQBOAOMVIY-CHWSQXEVSA-N 2 2 333.329 2.405 10 0 EEAELP C[C@@H]1CC2(CCC2)CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683355407 485492689 /nfs/dbraw/zinc/49/26/89/485492689.db2.gz WKKFQKCXSSNYLQ-HZPDHXFCSA-N 2 2 334.508 2.129 10 0 EEAELP C[C@@H]1CC2(CCC2)CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683355407 485492695 /nfs/dbraw/zinc/49/26/95/485492695.db2.gz WKKFQKCXSSNYLQ-HZPDHXFCSA-N 2 2 334.508 2.129 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678769484 485497068 /nfs/dbraw/zinc/49/70/68/485497068.db2.gz FRHVPMPONUIELT-GOEBONIOSA-N 2 2 335.473 2.117 10 0 EEAELP Cc1ccc([C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[NH+](C)C)cc1 ZINC000651195016 485534138 /nfs/dbraw/zinc/53/41/38/485534138.db2.gz XYPGYAQCWDZOQG-SFHVURJKSA-N 2 2 340.471 2.489 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCC(c2ccccc2)=N1 ZINC000674373042 485715104 /nfs/dbraw/zinc/71/51/04/485715104.db2.gz TWNBHHMVSWTUOU-UHFFFAOYSA-N 2 2 337.427 2.226 10 0 EEAELP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679892215 485837607 /nfs/dbraw/zinc/83/76/07/485837607.db2.gz LNCOOXYXETYLJJ-INIZCTEOSA-N 2 2 333.480 2.371 10 0 EEAELP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679892215 485837613 /nfs/dbraw/zinc/83/76/13/485837613.db2.gz LNCOOXYXETYLJJ-INIZCTEOSA-N 2 2 333.480 2.371 10 0 EEAELP Cc1ccc(N2CCC(C(=O)Nc3cc[nH+]cc3N(C)C)CC2)[nH+]c1 ZINC000681356167 486218509 /nfs/dbraw/zinc/21/85/09/486218509.db2.gz MVZIAMRZSAATKQ-UHFFFAOYSA-N 2 2 339.443 2.128 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C1 ZINC000676540974 486254798 /nfs/dbraw/zinc/25/47/98/486254798.db2.gz NVDSULQOJNQHCL-QFBILLFUSA-N 2 2 344.503 2.374 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C1 ZINC000676540974 486254805 /nfs/dbraw/zinc/25/48/05/486254805.db2.gz NVDSULQOJNQHCL-QFBILLFUSA-N 2 2 344.503 2.374 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1(C)COC1 ZINC000625791258 490702020 /nfs/dbraw/zinc/70/20/20/490702020.db2.gz LGOTWCSHVUBPTO-ZDUSSCGKSA-N 2 2 328.416 2.372 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1(C)COC1 ZINC000625791258 490702024 /nfs/dbraw/zinc/70/20/24/490702024.db2.gz LGOTWCSHVUBPTO-ZDUSSCGKSA-N 2 2 328.416 2.372 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000131007363 527972938 /nfs/dbraw/zinc/97/29/38/527972938.db2.gz SSJZFZOLQOWLED-ZWKOTPCHSA-N 2 2 347.507 2.425 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000131007363 527972942 /nfs/dbraw/zinc/97/29/42/527972942.db2.gz SSJZFZOLQOWLED-ZWKOTPCHSA-N 2 2 347.507 2.425 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3C(F)(F)F)CC2)CC1 ZINC000422015632 535464236 /nfs/dbraw/zinc/46/42/36/535464236.db2.gz HGPZFQRXSKKTMP-HUUCEWRRSA-N 2 2 347.425 2.203 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@H]3C(F)(F)F)CC2)CC1 ZINC000422015632 535464244 /nfs/dbraw/zinc/46/42/44/535464244.db2.gz HGPZFQRXSKKTMP-HUUCEWRRSA-N 2 2 347.425 2.203 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCN2CCCCC2=O)[C@H]2CCC[NH2+]2)cc1 ZINC000422864534 536930368 /nfs/dbraw/zinc/93/03/68/536930368.db2.gz VDQNJIFHJAPMHF-QUCCMNQESA-N 2 2 345.487 2.481 10 0 EEAELP CC(C)[N@H+](C)CC1CC[NH+](Cn2c3ccccc3n(C)c2=O)CC1 ZINC000738091400 577999012 /nfs/dbraw/zinc/99/90/12/577999012.db2.gz WKRKTTOPDXVVNS-UHFFFAOYSA-N 2 2 330.476 2.350 10 0 EEAELP CC(C)[N@@H+](C)CC1CC[NH+](Cn2c3ccccc3n(C)c2=O)CC1 ZINC000738091400 577999013 /nfs/dbraw/zinc/99/90/13/577999013.db2.gz WKRKTTOPDXVVNS-UHFFFAOYSA-N 2 2 330.476 2.350 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000051234671 676685246 /nfs/dbraw/zinc/68/52/46/676685246.db2.gz WOELYGYBCHSQSD-CQSZACIVSA-N 2 2 334.464 2.381 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)NCC[N@H+]2CCCC[C@H]2C)c1C ZINC000051234671 676685247 /nfs/dbraw/zinc/68/52/47/676685247.db2.gz WOELYGYBCHSQSD-CQSZACIVSA-N 2 2 334.464 2.381 10 0 EEAELP CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895574980 684645788 /nfs/dbraw/zinc/64/57/88/684645788.db2.gz RDACSWFTRUACPZ-AWEZNQCLSA-N 2 2 326.322 2.421 10 0 EEAELP CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895574980 684645789 /nfs/dbraw/zinc/64/57/89/684645789.db2.gz RDACSWFTRUACPZ-AWEZNQCLSA-N 2 2 326.322 2.421 10 0 EEAELP C[NH+](C)CC(C)(C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000909561344 685778152 /nfs/dbraw/zinc/77/81/52/685778152.db2.gz VXBKZLPUIDUXMR-UHFFFAOYSA-N 2 2 329.448 2.065 10 0 EEAELP Cc1cc(NCCNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)nc(C(C)C)[nH+]1 ZINC000899135622 693628727 /nfs/dbraw/zinc/62/87/27/693628727.db2.gz INMJYAIVWJNYSE-CQSZACIVSA-N 2 2 333.480 2.309 10 0 EEAELP Cc1cc(NCCNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)nc(C(C)C)[nH+]1 ZINC000899135622 693628731 /nfs/dbraw/zinc/62/87/31/693628731.db2.gz INMJYAIVWJNYSE-CQSZACIVSA-N 2 2 333.480 2.309 10 0 EEAELP Cc1cc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)sn1 ZINC001485726930 1191912069 /nfs/dbraw/zinc/91/20/69/1191912069.db2.gz PURQZRLLTNFYBH-KCPJHIHWSA-N 2 2 347.488 2.353 10 0 EEAELP Cc1cc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)sn1 ZINC001485726930 1191912071 /nfs/dbraw/zinc/91/20/71/1191912071.db2.gz PURQZRLLTNFYBH-KCPJHIHWSA-N 2 2 347.488 2.353 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1)C(=O)Cn1cc[nH+]c1 ZINC001691075158 1177528469 /nfs/dbraw/zinc/52/84/69/1177528469.db2.gz PAMFNUMHIOICMP-QGZVFWFLSA-N 2 2 337.427 2.097 10 0 EEAELP CN(C[C@H]1CC[N@H+]1Cc1ccc2cc[nH]c2c1)C(=O)Cn1cc[nH+]c1 ZINC001691075158 1177528476 /nfs/dbraw/zinc/52/84/76/1177528476.db2.gz PAMFNUMHIOICMP-QGZVFWFLSA-N 2 2 337.427 2.097 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001266847971 1177540870 /nfs/dbraw/zinc/54/08/70/1177540870.db2.gz FVENWFAVGGRQOO-ZIAGYGMSSA-N 2 2 328.407 2.318 10 0 EEAELP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC(F)(F)C(F)F)CC1 ZINC001266916057 1177794463 /nfs/dbraw/zinc/79/44/63/1177794463.db2.gz QUFHHQFENCQQHD-UHFFFAOYSA-N 2 2 341.393 2.246 10 0 EEAELP CC[N@@H+](C)CCC(=O)NC1CCC([NH2+]CC(F)(F)C(F)F)CC1 ZINC001266916057 1177794472 /nfs/dbraw/zinc/79/44/72/1177794472.db2.gz QUFHHQFENCQQHD-UHFFFAOYSA-N 2 2 341.393 2.246 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC001267048328 1178149781 /nfs/dbraw/zinc/14/97/81/1178149781.db2.gz VZDBYKQJXWXGJU-CABCVRRESA-N 2 2 342.443 2.041 10 0 EEAELP CCCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001267492535 1179167636 /nfs/dbraw/zinc/16/76/36/1179167636.db2.gz JLYUTVPPGWZTEA-INIZCTEOSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)=CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481038431 1179587235 /nfs/dbraw/zinc/58/72/35/1179587235.db2.gz FGVZAKICVURZST-QGZVFWFLSA-N 2 2 330.476 2.309 10 0 EEAELP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481038431 1179587239 /nfs/dbraw/zinc/58/72/39/1179587239.db2.gz FGVZAKICVURZST-QGZVFWFLSA-N 2 2 330.476 2.309 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC001481249644 1180462322 /nfs/dbraw/zinc/46/23/22/1180462322.db2.gz IDKMZIBGFNNSLP-QGZVFWFLSA-N 2 2 340.471 2.311 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267821316 1180581210 /nfs/dbraw/zinc/58/12/10/1180581210.db2.gz BSIWIHHCGPCMIO-GXTWGEPZSA-N 2 2 349.866 2.321 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267821316 1180581217 /nfs/dbraw/zinc/58/12/17/1180581217.db2.gz BSIWIHHCGPCMIO-GXTWGEPZSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481350686 1181094143 /nfs/dbraw/zinc/09/41/43/1181094143.db2.gz OUKDYXBBNZZBND-OMVNSRBRSA-N 2 2 338.883 2.415 10 0 EEAELP CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481350686 1181094147 /nfs/dbraw/zinc/09/41/47/1181094147.db2.gz OUKDYXBBNZZBND-OMVNSRBRSA-N 2 2 338.883 2.415 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](CCNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)on1 ZINC001481451766 1181386393 /nfs/dbraw/zinc/38/63/93/1181386393.db2.gz SEKCJXQFGNIQOA-CVEARBPZSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](CCNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)on1 ZINC001481451766 1181386400 /nfs/dbraw/zinc/38/64/00/1181386400.db2.gz SEKCJXQFGNIQOA-CVEARBPZSA-N 2 2 345.447 2.159 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001268153516 1181846663 /nfs/dbraw/zinc/84/66/63/1181846663.db2.gz KEXIBSYMNXILLP-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001268288963 1182172601 /nfs/dbraw/zinc/17/26/01/1182172601.db2.gz KIYXVFAONJXUDO-AEFFLSMTSA-N 2 2 332.492 2.417 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268386057 1182425458 /nfs/dbraw/zinc/42/54/58/1182425458.db2.gz NEELWKHZSLYHSU-HUUCEWRRSA-N 2 2 344.459 2.247 10 0 EEAELP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001481740185 1182462991 /nfs/dbraw/zinc/46/29/91/1182462991.db2.gz MDGAZLRGTBXMTH-OAHLLOKOSA-N 2 2 341.858 2.464 10 0 EEAELP CN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001481740185 1182462996 /nfs/dbraw/zinc/46/29/96/1182462996.db2.gz MDGAZLRGTBXMTH-OAHLLOKOSA-N 2 2 341.858 2.464 10 0 EEAELP CCN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001268469676 1182825037 /nfs/dbraw/zinc/82/50/37/1182825037.db2.gz HKAXUCDAVDWHJJ-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001481869701 1182842852 /nfs/dbraw/zinc/84/28/52/1182842852.db2.gz KMDXPLBMXXHRPL-INIZCTEOSA-N 2 2 332.492 2.417 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001482007547 1183129815 /nfs/dbraw/zinc/12/98/15/1183129815.db2.gz VRSGNSVMCHLIMU-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001691503517 1183215419 /nfs/dbraw/zinc/21/54/19/1183215419.db2.gz BRAXCOOMMBTVGW-NNUKFRKNSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001691503517 1183215425 /nfs/dbraw/zinc/21/54/25/1183215425.db2.gz BRAXCOOMMBTVGW-NNUKFRKNSA-N 2 2 347.850 2.075 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001268560591 1183257419 /nfs/dbraw/zinc/25/74/19/1183257419.db2.gz KOOLZWKEZGWZHI-KVLZDYKBSA-N 2 2 338.455 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001268610222 1183518956 /nfs/dbraw/zinc/51/89/56/1183518956.db2.gz VSRDLLCLTALADI-IMLGJKEDSA-N 2 2 342.418 2.431 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)c1cnccn1 ZINC001268801960 1183717991 /nfs/dbraw/zinc/71/79/91/1183717991.db2.gz MBNYUZGRIBGYLP-CYBMUJFWSA-N 2 2 338.415 2.166 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001482358632 1185506780 /nfs/dbraw/zinc/50/67/80/1185506780.db2.gz QKUBMMONKATHNR-ZIAGYGMSSA-N 2 2 344.459 2.467 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001482411426 1185641713 /nfs/dbraw/zinc/64/17/13/1185641713.db2.gz BQGZOGISADRJPW-MRXNPFEDSA-N 2 2 345.447 2.034 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cscn1 ZINC001271599019 1186334413 /nfs/dbraw/zinc/33/44/13/1186334413.db2.gz GDMBFNRFIXBBMS-OAHLLOKOSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C(C)C ZINC001482536681 1186580782 /nfs/dbraw/zinc/58/07/82/1186580782.db2.gz YOIGGKSGNZTXQX-ZACQAIPSSA-N 2 2 341.459 2.147 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C(C)C ZINC001482536681 1186580791 /nfs/dbraw/zinc/58/07/91/1186580791.db2.gz YOIGGKSGNZTXQX-ZACQAIPSSA-N 2 2 341.459 2.147 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001482895508 1187823706 /nfs/dbraw/zinc/82/37/06/1187823706.db2.gz UDNYASGMZPJYLK-MRXNPFEDSA-N 2 2 328.460 2.346 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483027561 1188034225 /nfs/dbraw/zinc/03/42/25/1188034225.db2.gz ADYIRXFHPPJHCW-LAQIPUCWSA-N 2 2 338.455 2.216 10 0 EEAELP Cc1ccncc1CONC(=[NH2+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000842040464 1188239850 /nfs/dbraw/zinc/23/98/50/1188239850.db2.gz YBLPCBCSRLOYCR-SFHVURJKSA-N 2 2 340.427 2.289 10 0 EEAELP Cc1ccncc1CONC(=[NH2+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000842040464 1188239856 /nfs/dbraw/zinc/23/98/56/1188239856.db2.gz YBLPCBCSRLOYCR-SFHVURJKSA-N 2 2 340.427 2.289 10 0 EEAELP Cc1cc(Cl)ccc1C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001483101272 1188478023 /nfs/dbraw/zinc/47/80/23/1188478023.db2.gz XBXMKNLGWXGSSJ-NSCUHMNNSA-N 2 2 332.835 2.307 10 0 EEAELP CCO[C@@H](C[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001483128733 1188607530 /nfs/dbraw/zinc/60/75/30/1188607530.db2.gz JRTGXWVAINKEMU-DYVFJYSZSA-N 2 2 344.459 2.166 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001483148910 1188867816 /nfs/dbraw/zinc/86/78/16/1188867816.db2.gz AYUIEGZDRMHXNG-LLVKDONJSA-N 2 2 343.456 2.316 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001272901221 1193597023 /nfs/dbraw/zinc/59/70/23/1193597023.db2.gz FEVSPSOLEKTUQB-QZTJIDSGSA-N 2 2 337.508 2.034 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1COCC[N@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001272901221 1193597024 /nfs/dbraw/zinc/59/70/24/1193597024.db2.gz FEVSPSOLEKTUQB-QZTJIDSGSA-N 2 2 337.508 2.034 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001483199299 1189096178 /nfs/dbraw/zinc/09/61/78/1189096178.db2.gz BMXRPQARMXGKBR-WBVHZDCISA-N 2 2 326.444 2.098 10 0 EEAELP Cc1conc1C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001486090300 1193678610 /nfs/dbraw/zinc/67/86/10/1193678610.db2.gz HOWGDZJDHORJHM-ZBFHGGJFSA-N 2 2 345.447 2.047 10 0 EEAELP Cc1cc(Cl)ccc1C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001483427885 1190475190 /nfs/dbraw/zinc/47/51/90/1190475190.db2.gz WEQDZOIMMLMLGK-AWEZNQCLSA-N 2 2 334.851 2.482 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483476797 1190498408 /nfs/dbraw/zinc/49/84/08/1190498408.db2.gz JICOKIHGHFCFMN-GOSISDBHSA-N 2 2 340.471 2.126 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001486120272 1193687544 /nfs/dbraw/zinc/68/75/44/1193687544.db2.gz NEEHYPRBDAWNOX-HOTGVXAUSA-N 2 2 344.459 2.342 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCCc1ccccc1 ZINC001272322230 1190760685 /nfs/dbraw/zinc/76/06/85/1190760685.db2.gz IXVIJWSUTWJJAI-ZWKOTPCHSA-N 2 2 340.471 2.460 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CCC[C@H]2NC(=O)Cn2cc[nH+]c2)cc1 ZINC001272343669 1190777541 /nfs/dbraw/zinc/77/75/41/1190777541.db2.gz OMBACVKHEKEQKX-RBUKOAKNSA-N 2 2 340.471 2.309 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC001272573327 1190887659 /nfs/dbraw/zinc/88/76/59/1190887659.db2.gz DCTCOOFNUJTXMG-CQSZACIVSA-N 2 2 347.488 2.054 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCc2ccccc2Cl)CC1 ZINC001483797498 1191040019 /nfs/dbraw/zinc/04/00/19/1191040019.db2.gz RZWIVFKKKGUPHY-UHFFFAOYSA-N 2 2 332.835 2.018 10 0 EEAELP CC(C)C[C@@H](C(=O)N(C)C1C[NH+](C[C@H]2CCCOC2)C1)n1cc[nH+]c1 ZINC001483867784 1191098565 /nfs/dbraw/zinc/09/85/65/1191098565.db2.gz KAYJCZCYUHHUHS-AEFFLSMTSA-N 2 2 348.491 2.040 10 0 EEAELP CC[C@H](F)C[N@H+](C)CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001484747553 1191505191 /nfs/dbraw/zinc/50/51/91/1191505191.db2.gz SAOVAVYOPUJCHK-HNNXBMFYSA-N 2 2 326.460 2.455 10 0 EEAELP CC[C@H](F)C[N@@H+](C)CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001484747553 1191505194 /nfs/dbraw/zinc/50/51/94/1191505194.db2.gz SAOVAVYOPUJCHK-HNNXBMFYSA-N 2 2 326.460 2.455 10 0 EEAELP CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)O2 ZINC001484781010 1191518070 /nfs/dbraw/zinc/51/80/70/1191518070.db2.gz ANBWJNFEYZHMSG-CVEARBPZSA-N 2 2 348.491 2.156 10 0 EEAELP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484919382 1191575130 /nfs/dbraw/zinc/57/51/30/1191575130.db2.gz BDSIOPNVNOKCAZ-HOTGVXAUSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC[C@@H]1CCCCO1 ZINC001485077051 1191645074 /nfs/dbraw/zinc/64/50/74/1191645074.db2.gz XRFDYKGQMJUOOE-SJORKVTESA-N 2 2 348.491 2.143 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC[C@@H]1CCCCO1 ZINC001485077051 1191645075 /nfs/dbraw/zinc/64/50/75/1191645075.db2.gz XRFDYKGQMJUOOE-SJORKVTESA-N 2 2 348.491 2.143 10 0 EEAELP COCCCC[NH2+]CC1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001485091585 1191649374 /nfs/dbraw/zinc/64/93/74/1191649374.db2.gz BWEDDMREUKKFHP-UHFFFAOYSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485202476 1191684126 /nfs/dbraw/zinc/68/41/26/1191684126.db2.gz TWHJDRLLQXZYRQ-HZPDHXFCSA-N 2 2 328.460 2.376 10 0 EEAELP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001485355566 1191760177 /nfs/dbraw/zinc/76/01/77/1191760177.db2.gz GFEKDFISNCPIBG-CVEARBPZSA-N 2 2 344.459 2.480 10 0 EEAELP COc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001485355566 1191760178 /nfs/dbraw/zinc/76/01/78/1191760178.db2.gz GFEKDFISNCPIBG-CVEARBPZSA-N 2 2 344.459 2.480 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]cn1C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001409984632 1196172773 /nfs/dbraw/zinc/17/27/73/1196172773.db2.gz QQXZWSIEQUUSGC-HNNXBMFYSA-N 2 2 344.503 2.370 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CCF)CC1(C)C)c1ccccc1 ZINC001410024819 1197436130 /nfs/dbraw/zinc/43/61/30/1197436130.db2.gz RKDKVRDZCBZWAU-IAGOWNOFSA-N 2 2 335.467 2.476 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1C[NH+](CCF)CC1(C)C)c1ccccc1 ZINC001410024819 1197436134 /nfs/dbraw/zinc/43/61/34/1197436134.db2.gz RKDKVRDZCBZWAU-IAGOWNOFSA-N 2 2 335.467 2.476 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C)c1ccccc1 ZINC001410024819 1197436139 /nfs/dbraw/zinc/43/61/39/1197436139.db2.gz RKDKVRDZCBZWAU-IAGOWNOFSA-N 2 2 335.467 2.476 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C)c1ccccc1 ZINC001410024819 1197436142 /nfs/dbraw/zinc/43/61/42/1197436142.db2.gz RKDKVRDZCBZWAU-IAGOWNOFSA-N 2 2 335.467 2.476 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ocnc1C ZINC001410370405 1197762385 /nfs/dbraw/zinc/76/23/85/1197762385.db2.gz FBCNYWXMIZGILK-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001410543457 1198104283 /nfs/dbraw/zinc/10/42/83/1198104283.db2.gz RWUUIHQIFPSHTC-KGLIPLIRSA-N 2 2 328.407 2.145 10 0 EEAELP CC(C)(C)OC(=O)C[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000866169354 1201454351 /nfs/dbraw/zinc/45/43/51/1201454351.db2.gz RVUSXSOEFTUFMW-UHFFFAOYSA-N 2 2 331.420 2.176 10 0 EEAELP CC(F)(F)C(C)(C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000866542521 1201544587 /nfs/dbraw/zinc/54/45/87/1201544587.db2.gz IXJJBSYMAREOTQ-UHFFFAOYSA-N 2 2 333.467 2.054 10 0 EEAELP CC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000866542521 1201544588 /nfs/dbraw/zinc/54/45/88/1201544588.db2.gz IXJJBSYMAREOTQ-UHFFFAOYSA-N 2 2 333.467 2.054 10 0 EEAELP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000882398321 1201866269 /nfs/dbraw/zinc/86/62/69/1201866269.db2.gz UXDXWYZVNAAANM-KRWDZBQOSA-N 2 2 339.443 2.265 10 0 EEAELP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882398321 1201866272 /nfs/dbraw/zinc/86/62/72/1201866272.db2.gz UXDXWYZVNAAANM-KRWDZBQOSA-N 2 2 339.443 2.265 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1c(C)cccc1C ZINC001274535091 1205072189 /nfs/dbraw/zinc/07/21/89/1205072189.db2.gz OQGCTEPQLQWWSL-SNAWJCMRSA-N 2 2 326.444 2.340 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001274611897 1205097900 /nfs/dbraw/zinc/09/79/00/1205097900.db2.gz XJBGYPYOBRYSOK-QWNKOJSDSA-N 2 2 348.491 2.256 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001275780644 1205524031 /nfs/dbraw/zinc/52/40/31/1205524031.db2.gz KNJOLLHSPCQLAY-KGLIPLIRSA-N 2 2 346.397 2.490 10 0 EEAELP COC1(OC)CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000924608873 1206003433 /nfs/dbraw/zinc/00/34/33/1206003433.db2.gz FFNIPKKTTILTNY-IBGZPJMESA-N 2 2 347.503 2.248 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)COc1ccc(F)c(F)c1 ZINC000924969330 1206056301 /nfs/dbraw/zinc/05/63/01/1206056301.db2.gz IPWWOTWUNIFJJH-BVGQSLNGSA-N 2 2 340.414 2.311 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)COc1ccc(F)c(F)c1 ZINC000924969330 1206056304 /nfs/dbraw/zinc/05/63/04/1206056304.db2.gz IPWWOTWUNIFJJH-BVGQSLNGSA-N 2 2 340.414 2.311 10 0 EEAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925793966 1206154607 /nfs/dbraw/zinc/15/46/07/1206154607.db2.gz KBERAOAIHDQPPR-IRXDYDNUSA-N 2 2 345.487 2.176 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 ZINC000926019763 1206182629 /nfs/dbraw/zinc/18/26/29/1206182629.db2.gz PSWHNQINDWXQCG-UHFFFAOYSA-N 2 2 348.344 2.389 10 0 EEAELP O[C@@H](CC[C@H](O)c1ccccc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803221 1206503816 /nfs/dbraw/zinc/50/38/16/1206503816.db2.gz FGQVSESXPHFARV-ROUUACIJSA-N 2 2 329.444 2.464 10 0 EEAELP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc3cc[nH]c3c1)CC2 ZINC000930171991 1206539239 /nfs/dbraw/zinc/53/92/39/1206539239.db2.gz YIXUVKQWWKEXDO-KRWDZBQOSA-N 2 2 343.471 2.468 10 0 EEAELP C[N@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc3cc[nH]c3c1)CC2 ZINC000930171991 1206539240 /nfs/dbraw/zinc/53/92/40/1206539240.db2.gz YIXUVKQWWKEXDO-KRWDZBQOSA-N 2 2 343.471 2.468 10 0 EEAELP O[C@H]1CC[N@@H+](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC000931067295 1206604222 /nfs/dbraw/zinc/60/42/22/1206604222.db2.gz OYBCUENEFRXZMX-AWEZNQCLSA-N 2 2 342.842 2.389 10 0 EEAELP O[C@H]1CC[N@H+](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC000931067295 1206604224 /nfs/dbraw/zinc/60/42/24/1206604224.db2.gz OYBCUENEFRXZMX-AWEZNQCLSA-N 2 2 342.842 2.389 10 0 EEAELP COc1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931514801 1207402847 /nfs/dbraw/zinc/40/28/47/1207402847.db2.gz DVSGAFMVTDGELK-UHFFFAOYSA-N 2 2 326.400 2.059 10 0 EEAELP COc1ccc(NC(=O)CC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931514801 1207402850 /nfs/dbraw/zinc/40/28/50/1207402850.db2.gz DVSGAFMVTDGELK-UHFFFAOYSA-N 2 2 326.400 2.059 10 0 EEAELP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001691735839 1210525205 /nfs/dbraw/zinc/52/52/05/1210525205.db2.gz AFKHCJBMWSKLPF-JKSUJKDBSA-N 2 2 338.471 2.410 10 0 EEAELP CC[C@@H](F)C[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001691735839 1210525209 /nfs/dbraw/zinc/52/52/09/1210525209.db2.gz AFKHCJBMWSKLPF-JKSUJKDBSA-N 2 2 338.471 2.410 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)c2)[nH+]c1C ZINC000900347507 1234248387 /nfs/dbraw/zinc/24/83/87/1234248387.db2.gz VZSRUAPPENQDJB-MAUKXSAKSA-N 2 2 328.416 2.087 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)c2)[nH+]c1C ZINC000900347507 1234248390 /nfs/dbraw/zinc/24/83/90/1234248390.db2.gz VZSRUAPPENQDJB-MAUKXSAKSA-N 2 2 328.416 2.087 10 0 EEAELP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900693573 1234668577 /nfs/dbraw/zinc/66/85/77/1234668577.db2.gz XCPNWHSVLXOQOZ-GOSISDBHSA-N 2 2 343.475 2.311 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C12CC[NH+](CC1)C2 ZINC000900893342 1234966622 /nfs/dbraw/zinc/96/66/22/1234966622.db2.gz ARJARYYBJSCAHK-UHFFFAOYSA-N 2 2 342.487 2.242 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902796076 1238552028 /nfs/dbraw/zinc/55/20/28/1238552028.db2.gz MGHPTRILIBKZAM-SJORKVTESA-N 3 2 327.476 2.159 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902895028 1238944149 /nfs/dbraw/zinc/94/41/49/1238944149.db2.gz RTZSQBPRISODEM-BMGDILEWSA-N 2 2 342.443 2.159 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cnn1C ZINC000903895644 1242369722 /nfs/dbraw/zinc/36/97/22/1242369722.db2.gz PMRBCRNCPYNYKQ-MDYRTPRTSA-N 2 2 342.487 2.308 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)cnn1C ZINC000903895644 1242369731 /nfs/dbraw/zinc/36/97/31/1242369731.db2.gz PMRBCRNCPYNYKQ-MDYRTPRTSA-N 2 2 342.487 2.308 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)on1 ZINC001491491385 1259141091 /nfs/dbraw/zinc/14/10/91/1259141091.db2.gz PFUIQXOQDKJPDT-GOEBONIOSA-N 2 2 333.436 2.061 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc2ccncc2Cl)c[nH+]1 ZINC001483240447 1277864433 /nfs/dbraw/zinc/86/44/33/1277864433.db2.gz OSSMCCQLJQUWIO-LBPRGKRZSA-N 2 2 349.866 2.270 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1Cc1cnc(C)s1 ZINC001489127432 1290389320 /nfs/dbraw/zinc/38/93/20/1290389320.db2.gz YPFQNOKEZVQXCL-JKSUJKDBSA-N 2 2 347.488 2.207 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1Cc1cnc(C)s1 ZINC001489127432 1290389328 /nfs/dbraw/zinc/38/93/28/1290389328.db2.gz YPFQNOKEZVQXCL-JKSUJKDBSA-N 2 2 347.488 2.207 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)Cc1c(C)nsc1C ZINC001490355367 1291293382 /nfs/dbraw/zinc/29/33/82/1291293382.db2.gz IKRYTYSSYVJCHA-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)Cc1c(C)nsc1C ZINC001490355367 1291293390 /nfs/dbraw/zinc/29/33/90/1291293390.db2.gz IKRYTYSSYVJCHA-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP C[C@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)c1ccccc1F ZINC001490746177 1291660361 /nfs/dbraw/zinc/66/03/61/1291660361.db2.gz XFWTYCVUAWKJJI-GUYCJALGSA-N 2 2 330.407 2.268 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2Cl)[C@@H](C)C1 ZINC000856770802 1293627872 /nfs/dbraw/zinc/62/78/72/1293627872.db2.gz NOFHVWBRSLOGIG-ZFWWWQNUSA-N 2 2 328.888 2.300 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2Cl)[C@@H](C)C1 ZINC000856770802 1293627875 /nfs/dbraw/zinc/62/78/75/1293627875.db2.gz NOFHVWBRSLOGIG-ZFWWWQNUSA-N 2 2 328.888 2.300 10 0 EEAELP CCn1ncc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000857087543 1293717001 /nfs/dbraw/zinc/71/70/01/1293717001.db2.gz UETMAPRDQJPWLX-MJGOQNOKSA-N 2 2 327.476 2.470 10 0 EEAELP CCn1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000857087543 1293717005 /nfs/dbraw/zinc/71/70/05/1293717005.db2.gz UETMAPRDQJPWLX-MJGOQNOKSA-N 2 2 327.476 2.470 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCn3c[nH+]cc32)CC1 ZINC000857983556 1293978428 /nfs/dbraw/zinc/97/84/28/1293978428.db2.gz SBOJMFJSEXFDQL-OAHLLOKOSA-N 2 2 325.416 2.064 10 0 EEAELP Fc1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)ccn1 ZINC000858112931 1294010019 /nfs/dbraw/zinc/01/00/19/1294010019.db2.gz BXYNHQFKVKFGNM-UHFFFAOYSA-N 2 2 345.418 2.222 10 0 EEAELP Cc1cc(NCCNC(=O)N(C)C2CCC([NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000861678391 1295500880 /nfs/dbraw/zinc/50/08/80/1295500880.db2.gz ARXFJWKKTVTUGO-UHFFFAOYSA-N 2 2 348.495 2.232 10 0 EEAELP C[C@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001277327839 1302433314 /nfs/dbraw/zinc/43/33/14/1302433314.db2.gz DTTWCUXAWJMKRJ-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP COCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001277474043 1303553997 /nfs/dbraw/zinc/55/39/97/1303553997.db2.gz MROAPGLBOKXXPT-HKUYNNGSSA-N 2 2 348.491 2.185 10 0 EEAELP COCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001277474043 1303554000 /nfs/dbraw/zinc/55/40/00/1303554000.db2.gz MROAPGLBOKXXPT-HKUYNNGSSA-N 2 2 348.491 2.185 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001329460687 1334655461 /nfs/dbraw/zinc/65/54/61/1334655461.db2.gz RKRSKBUXJRMKSE-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001329460687 1334655465 /nfs/dbraw/zinc/65/54/65/1334655465.db2.gz RKRSKBUXJRMKSE-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001329460687 1334655471 /nfs/dbraw/zinc/65/54/71/1334655471.db2.gz RKRSKBUXJRMKSE-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP CN(C)c1cccc(C[NH+]2CC(N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001277686516 1304185318 /nfs/dbraw/zinc/18/53/18/1304185318.db2.gz LDOIQRCTZXRFPZ-UHFFFAOYSA-N 2 2 346.519 2.127 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1=CCCCC1 ZINC001277865148 1304967265 /nfs/dbraw/zinc/96/72/65/1304967265.db2.gz YKUDJWBVBVJZHB-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001278263591 1308930597 /nfs/dbraw/zinc/93/05/97/1308930597.db2.gz KPGGDJZOQKHOHK-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001278263591 1308930600 /nfs/dbraw/zinc/93/06/00/1308930600.db2.gz KPGGDJZOQKHOHK-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001278392091 1310007624 /nfs/dbraw/zinc/00/76/24/1310007624.db2.gz RWOWOVAHRUIGKQ-RDJZCZTQSA-N 2 2 342.443 2.101 10 0 EEAELP COCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]21 ZINC001278486718 1310605698 /nfs/dbraw/zinc/60/56/98/1310605698.db2.gz IYXHRIPRBMKYPZ-FGTMMUONSA-N 2 2 345.487 2.484 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1I ZINC000841063717 1315465295 /nfs/dbraw/zinc/46/52/95/1315465295.db2.gz MYNSILBVIGZVNC-ZWNOBZJWSA-N 2 2 330.213 2.379 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278787611 1318091852 /nfs/dbraw/zinc/09/18/52/1318091852.db2.gz ZEKTWECACJNYHV-ZPUOCTKUSA-N 2 2 333.476 2.386 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)Cc1ncc(C2CC2)o1 ZINC001265073160 1322908011 /nfs/dbraw/zinc/90/80/11/1322908011.db2.gz RXZUQVAZHRCPJP-GASCZTMLSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+](C)Cc1ncc(C2CC2)o1 ZINC001265073160 1322908012 /nfs/dbraw/zinc/90/80/12/1322908012.db2.gz RXZUQVAZHRCPJP-GASCZTMLSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)Cc1ncc(C2CC2)o1 ZINC001265073160 1322908016 /nfs/dbraw/zinc/90/80/16/1322908016.db2.gz RXZUQVAZHRCPJP-GASCZTMLSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)Cc1ncc(C2CC2)o1 ZINC001265073160 1322908017 /nfs/dbraw/zinc/90/80/17/1322908017.db2.gz RXZUQVAZHRCPJP-GASCZTMLSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001265399405 1323131064 /nfs/dbraw/zinc/13/10/64/1323131064.db2.gz VWPGFJNQKIACQD-QGZVFWFLSA-N 2 2 332.492 2.489 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001265399405 1323131075 /nfs/dbraw/zinc/13/10/75/1323131075.db2.gz VWPGFJNQKIACQD-QGZVFWFLSA-N 2 2 332.492 2.489 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001265436710 1323154748 /nfs/dbraw/zinc/15/47/48/1323154748.db2.gz MYGQPWJFBNAKIA-SJORKVTESA-N 2 2 330.476 2.216 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)C[C@@H]3CC[C@@H](C)O3)ccn12 ZINC001265846251 1323421652 /nfs/dbraw/zinc/42/16/52/1323421652.db2.gz YXIJUYMBGJZVEH-WBVHZDCISA-N 2 2 344.459 2.262 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)C[C@@H]3CC[C@@H](C)O3)ccn12 ZINC001265846251 1323421655 /nfs/dbraw/zinc/42/16/55/1323421655.db2.gz YXIJUYMBGJZVEH-WBVHZDCISA-N 2 2 344.459 2.262 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001265877044 1323448919 /nfs/dbraw/zinc/44/89/19/1323448919.db2.gz AIPRHSJLTDWGPK-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001265877044 1323448922 /nfs/dbraw/zinc/44/89/22/1323448922.db2.gz AIPRHSJLTDWGPK-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(F)c1 ZINC001279715918 1323984745 /nfs/dbraw/zinc/98/47/45/1323984745.db2.gz KJMKVYKOVCIZED-HZPDHXFCSA-N 2 2 344.434 2.479 10 0 EEAELP Cc1ccncc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282155948 1325635867 /nfs/dbraw/zinc/63/58/67/1325635867.db2.gz KQSBWGYTKWDCPL-CABCVRRESA-N 2 2 337.427 2.334 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)CCCCC(F)(F)F ZINC001282477378 1325729230 /nfs/dbraw/zinc/72/92/30/1325729230.db2.gz IQXPNRVTWLUPOV-GFCCVEGCSA-N 2 2 334.386 2.132 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)CCCCC(F)(F)F ZINC001282477378 1325729234 /nfs/dbraw/zinc/72/92/34/1325729234.db2.gz IQXPNRVTWLUPOV-GFCCVEGCSA-N 2 2 334.386 2.132 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001282742469 1325778101 /nfs/dbraw/zinc/77/81/01/1325778101.db2.gz ZMLVWSOLUSOZEE-OAHLLOKOSA-N 2 2 349.438 2.068 10 0 EEAELP 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ZINC001439224227 1091869327 /nfs/dbraw/zinc/86/93/27/1091869327.db2.gz URIJXVPDZQFXMI-HOTGVXAUSA-N 2 2 326.444 2.048 10 0 EEAELP CCc1cccc(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001446017107 1092001215 /nfs/dbraw/zinc/00/12/15/1092001215.db2.gz PNHGDEAPYDLILX-GOSISDBHSA-N 2 2 326.444 2.130 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1C ZINC001446065013 1092078939 /nfs/dbraw/zinc/07/89/39/1092078939.db2.gz VMQKQHULMYUBGT-KRWDZBQOSA-N 2 2 330.407 2.030 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1C ZINC001446065013 1092078950 /nfs/dbraw/zinc/07/89/50/1092078950.db2.gz VMQKQHULMYUBGT-KRWDZBQOSA-N 2 2 330.407 2.030 10 0 EEAELP COCC[N@H+](CC1CCCC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001446309025 1092488397 /nfs/dbraw/zinc/48/83/97/1092488397.db2.gz UTIXEZQFHDZINV-UHFFFAOYSA-N 2 2 348.491 2.013 10 0 EEAELP COCC[N@@H+](CC1CCCC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001446309025 1092488402 /nfs/dbraw/zinc/48/84/02/1092488402.db2.gz UTIXEZQFHDZINV-UHFFFAOYSA-N 2 2 348.491 2.013 10 0 EEAELP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](Cc2ccc(OC)cc2)C1 ZINC001439750568 1092707324 /nfs/dbraw/zinc/70/73/24/1092707324.db2.gz IICJYGRYYQKOMF-UHFFFAOYSA-N 2 2 333.476 2.070 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N(C)C1C[NH+](Cc2ccc(OC)cc2)C1 ZINC001439750568 1092707333 /nfs/dbraw/zinc/70/73/33/1092707333.db2.gz IICJYGRYYQKOMF-UHFFFAOYSA-N 2 2 333.476 2.070 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001439758586 1092717033 /nfs/dbraw/zinc/71/70/33/1092717033.db2.gz PGNRNHXEUSRSDT-HNNXBMFYSA-N 2 2 333.476 2.239 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC(N(C)C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001439758586 1092717036 /nfs/dbraw/zinc/71/70/36/1092717036.db2.gz PGNRNHXEUSRSDT-HNNXBMFYSA-N 2 2 333.476 2.239 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@]1(C)CCC[N@H+](Cc2cscn2)C1 ZINC001439945097 1093054811 /nfs/dbraw/zinc/05/48/11/1093054811.db2.gz VRAZDNORIHZUHY-KRWDZBQOSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@]1(C)CCC[N@@H+](Cc2cscn2)C1 ZINC001439945097 1093054818 /nfs/dbraw/zinc/05/48/18/1093054818.db2.gz VRAZDNORIHZUHY-KRWDZBQOSA-N 2 2 347.488 2.067 10 0 EEAELP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001440139483 1093203584 /nfs/dbraw/zinc/20/35/84/1093203584.db2.gz YETIAJDIRKUJTM-SNSDMREKSA-N 2 2 345.274 2.276 10 0 EEAELP CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001440142979 1093205176 /nfs/dbraw/zinc/20/51/76/1093205176.db2.gz JQRIGEUQFHFHOC-KURKYZTESA-N 2 2 344.503 2.272 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4c[nH+]cn4C3)C[C@H]2C1 ZINC001440142979 1093205184 /nfs/dbraw/zinc/20/51/84/1093205184.db2.gz JQRIGEUQFHFHOC-KURKYZTESA-N 2 2 344.503 2.272 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC001440227436 1093309082 /nfs/dbraw/zinc/30/90/82/1093309082.db2.gz HVADJVCIAGPTHW-QZTJIDSGSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@@H]1CN(C)C(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC001440227436 1093309090 /nfs/dbraw/zinc/30/90/90/1093309090.db2.gz HVADJVCIAGPTHW-QZTJIDSGSA-N 2 2 348.491 2.011 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)[C@@H]1CC ZINC001440447803 1093659284 /nfs/dbraw/zinc/65/92/84/1093659284.db2.gz GUUSOWLXFBLQNE-JKSUJKDBSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)[C@@H]1CC ZINC001440447803 1093659288 /nfs/dbraw/zinc/65/92/88/1093659288.db2.gz GUUSOWLXFBLQNE-JKSUJKDBSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)[C@@H]1CC ZINC001440447803 1093659293 /nfs/dbraw/zinc/65/92/93/1093659293.db2.gz GUUSOWLXFBLQNE-JKSUJKDBSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)[C@@H]1CC ZINC001440447803 1093659299 /nfs/dbraw/zinc/65/92/99/1093659299.db2.gz GUUSOWLXFBLQNE-JKSUJKDBSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)CCCn2cc[nH+]c2)sn1 ZINC001448795702 1093873302 /nfs/dbraw/zinc/87/33/02/1093873302.db2.gz OPDCAPYFWCWCLH-CQSZACIVSA-N 2 2 335.477 2.065 10 0 EEAELP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1nccs1)CC2)C1CCC1 ZINC001449030222 1094038334 /nfs/dbraw/zinc/03/83/34/1094038334.db2.gz KNXYYSVXLGVCAB-QAPCUYQASA-N 2 2 348.516 2.241 10 0 EEAELP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1nccs1)CC2)C1CCC1 ZINC001449030222 1094038339 /nfs/dbraw/zinc/03/83/39/1094038339.db2.gz KNXYYSVXLGVCAB-QAPCUYQASA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1nccs1)CC2)C1CCC1 ZINC001449030222 1094038346 /nfs/dbraw/zinc/03/83/46/1094038346.db2.gz KNXYYSVXLGVCAB-QAPCUYQASA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1nccs1)CC2)C1CCC1 ZINC001449030222 1094038352 /nfs/dbraw/zinc/03/83/52/1094038352.db2.gz KNXYYSVXLGVCAB-QAPCUYQASA-N 2 2 348.516 2.241 10 0 EEAELP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001440936747 1094189861 /nfs/dbraw/zinc/18/98/61/1094189861.db2.gz CCMVBVCUJMEWBP-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001440936747 1094189866 /nfs/dbraw/zinc/18/98/66/1094189866.db2.gz CCMVBVCUJMEWBP-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccncc1Cl)[NH+](C)C ZINC001440939351 1094191669 /nfs/dbraw/zinc/19/16/69/1094191669.db2.gz WEYJZKUEXXOYHO-IUODEOHRSA-N 2 2 326.872 2.012 10 0 EEAELP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccncc1Cl)[NH+](C)C ZINC001440939351 1094191671 /nfs/dbraw/zinc/19/16/71/1094191671.db2.gz WEYJZKUEXXOYHO-IUODEOHRSA-N 2 2 326.872 2.012 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001440946206 1094198458 /nfs/dbraw/zinc/19/84/58/1094198458.db2.gz UFRFLIABQVGIDQ-NVXWUHKLSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001440946206 1094198461 /nfs/dbraw/zinc/19/84/61/1094198461.db2.gz UFRFLIABQVGIDQ-NVXWUHKLSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)Cc1ccsc1 ZINC001440949749 1094202529 /nfs/dbraw/zinc/20/25/29/1094202529.db2.gz ZDMXZXODVFVQCV-UKRRQHHQSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)Cc1ccsc1 ZINC001440949749 1094202533 /nfs/dbraw/zinc/20/25/33/1094202533.db2.gz ZDMXZXODVFVQCV-UKRRQHHQSA-N 2 2 332.473 2.144 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001449286871 1094236647 /nfs/dbraw/zinc/23/66/47/1094236647.db2.gz CRQIBUZMYDNKIX-DYVFJYSZSA-N 2 2 344.459 2.334 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001440981087 1094243291 /nfs/dbraw/zinc/24/32/91/1094243291.db2.gz RVQQWNOYOIMYPQ-NEPJUHHUSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001440981087 1094243293 /nfs/dbraw/zinc/24/32/93/1094243293.db2.gz RVQQWNOYOIMYPQ-NEPJUHHUSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001440981087 1094243299 /nfs/dbraw/zinc/24/32/99/1094243299.db2.gz RVQQWNOYOIMYPQ-NEPJUHHUSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001440981087 1094243303 /nfs/dbraw/zinc/24/33/03/1094243303.db2.gz RVQQWNOYOIMYPQ-NEPJUHHUSA-N 2 2 328.407 2.070 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001449311863 1094266350 /nfs/dbraw/zinc/26/63/50/1094266350.db2.gz DQTXSKNQLNFDHV-MRXNPFEDSA-N 2 2 332.423 2.343 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1(C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC001449401189 1094381620 /nfs/dbraw/zinc/38/16/20/1094381620.db2.gz KZKGRJBVEAWOBL-UHFFFAOYSA-N 2 2 344.381 2.265 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001441200949 1094561996 /nfs/dbraw/zinc/56/19/96/1094561996.db2.gz FGNPQNORKDJBJF-CYBMUJFWSA-N 2 2 339.430 2.242 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001441200949 1094561999 /nfs/dbraw/zinc/56/19/99/1094561999.db2.gz FGNPQNORKDJBJF-CYBMUJFWSA-N 2 2 339.430 2.242 10 0 EEAELP CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001441226638 1094600481 /nfs/dbraw/zinc/60/04/81/1094600481.db2.gz MGTUQVSPBMQRHS-HKUYNNGSSA-N 2 2 348.491 2.184 10 0 EEAELP CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001441226638 1094600487 /nfs/dbraw/zinc/60/04/87/1094600487.db2.gz MGTUQVSPBMQRHS-HKUYNNGSSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCC1CCCC1 ZINC001441558487 1095304623 /nfs/dbraw/zinc/30/46/23/1095304623.db2.gz ODVHSUOOPRZKFD-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1conc1C[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001441636341 1095541350 /nfs/dbraw/zinc/54/13/50/1095541350.db2.gz BFSXCAVOKVLXCS-RDJZCZTQSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1conc1C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001441636341 1095541356 /nfs/dbraw/zinc/54/13/56/1095541356.db2.gz BFSXCAVOKVLXCS-RDJZCZTQSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001441685459 1095665014 /nfs/dbraw/zinc/66/50/14/1095665014.db2.gz BXCXKMKSJSYQNS-IRXDYDNUSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001441685459 1095665018 /nfs/dbraw/zinc/66/50/18/1095665018.db2.gz BXCXKMKSJSYQNS-IRXDYDNUSA-N 2 2 341.459 2.003 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]CCC(F)(F)F)[C@@H]2C1 ZINC001441862198 1095967294 /nfs/dbraw/zinc/96/72/94/1095967294.db2.gz GLTOOECVFFRTDJ-YUTCNCBUSA-N 2 2 344.381 2.121 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)oc1C ZINC001442148737 1096399518 /nfs/dbraw/zinc/39/95/18/1096399518.db2.gz OTNRPFJQTLOCFN-GJZGRUSLSA-N 2 2 336.480 2.006 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C)oc1C ZINC001442148737 1096399524 /nfs/dbraw/zinc/39/95/24/1096399524.db2.gz OTNRPFJQTLOCFN-GJZGRUSLSA-N 2 2 336.480 2.006 10 0 EEAELP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2nocc2C)C1 ZINC001442214291 1096505868 /nfs/dbraw/zinc/50/58/68/1096505868.db2.gz IZWPEAMNOIKFQL-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)Cc2nocc2C)C1 ZINC001442214291 1096505875 /nfs/dbraw/zinc/50/58/75/1096505875.db2.gz IZWPEAMNOIKFQL-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)Cc2nocc2C)C1 ZINC001442214291 1096505878 /nfs/dbraw/zinc/50/58/78/1096505878.db2.gz IZWPEAMNOIKFQL-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001442214291 1096505880 /nfs/dbraw/zinc/50/58/80/1096505880.db2.gz IZWPEAMNOIKFQL-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCc1ccccc1 ZINC001442274427 1096582352 /nfs/dbraw/zinc/58/23/52/1096582352.db2.gz LMNTWPQREAHETG-SJLPKXTDSA-N 2 2 340.471 2.173 10 0 EEAELP CC(C)c1cccc(C[N@H+](C)CCNC(=O)CCn2cc[nH+]c2)n1 ZINC001442482344 1096816364 /nfs/dbraw/zinc/81/63/64/1096816364.db2.gz KCMKBSSHQKCCIF-UHFFFAOYSA-N 2 2 329.448 2.040 10 0 EEAELP CC(C)c1cccc(C[N@@H+](C)CCNC(=O)CCn2cc[nH+]c2)n1 ZINC001442482344 1096816373 /nfs/dbraw/zinc/81/63/73/1096816373.db2.gz KCMKBSSHQKCCIF-UHFFFAOYSA-N 2 2 329.448 2.040 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001442874378 1097267023 /nfs/dbraw/zinc/26/70/23/1097267023.db2.gz GTUNRRMDATWVDD-GOSISDBHSA-N 2 2 340.471 2.034 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001442874378 1097267027 /nfs/dbraw/zinc/26/70/27/1097267027.db2.gz GTUNRRMDATWVDD-GOSISDBHSA-N 2 2 340.471 2.034 10 0 EEAELP O=C(NCC[N@H+](Cc1cncs1)C1CC1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001443020109 1097429310 /nfs/dbraw/zinc/42/93/10/1097429310.db2.gz TXRNMBVKVTXRFI-WBVHZDCISA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[N@@H+](Cc1cncs1)C1CC1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001443020109 1097429312 /nfs/dbraw/zinc/42/93/12/1097429312.db2.gz TXRNMBVKVTXRFI-WBVHZDCISA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001443020109 1097429315 /nfs/dbraw/zinc/42/93/15/1097429315.db2.gz TXRNMBVKVTXRFI-WBVHZDCISA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001443020109 1097429317 /nfs/dbraw/zinc/42/93/17/1097429317.db2.gz TXRNMBVKVTXRFI-WBVHZDCISA-N 2 2 348.516 2.241 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CC=C(Cl)Cl)C1 ZINC001443588265 1098080088 /nfs/dbraw/zinc/08/00/88/1098080088.db2.gz JYEHFZRZSUXJLY-CYBMUJFWSA-N 2 2 334.291 2.228 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1C[NH+](CC=C(Cl)Cl)C1 ZINC001443588265 1098080096 /nfs/dbraw/zinc/08/00/96/1098080096.db2.gz JYEHFZRZSUXJLY-CYBMUJFWSA-N 2 2 334.291 2.228 10 0 EEAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cc(C)ns1 ZINC001444001815 1098515886 /nfs/dbraw/zinc/51/58/86/1098515886.db2.gz GFCPOCQGBAVLRA-KBPBESRZSA-N 2 2 335.477 2.284 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CCC(CCNC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001444236470 1098798350 /nfs/dbraw/zinc/79/83/50/1098798350.db2.gz VHXIMVYLDLTKSK-HNNXBMFYSA-N 2 2 345.447 2.159 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC2(C1)CC[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC001479759712 1098917234 /nfs/dbraw/zinc/91/72/34/1098917234.db2.gz CVPRIGUDPYOOMZ-FGTMMUONSA-N 2 2 342.487 2.244 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC001479759712 1098917241 /nfs/dbraw/zinc/91/72/41/1098917241.db2.gz CVPRIGUDPYOOMZ-FGTMMUONSA-N 2 2 342.487 2.244 10 0 EEAELP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ncc(C2CC2)o1 ZINC001479781945 1098971475 /nfs/dbraw/zinc/97/14/75/1098971475.db2.gz BSANNKBRTDWQJK-UHFFFAOYSA-N 2 2 346.475 2.119 10 0 EEAELP C[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ncc(C2CC2)o1 ZINC001479781945 1098971479 /nfs/dbraw/zinc/97/14/79/1098971479.db2.gz BSANNKBRTDWQJK-UHFFFAOYSA-N 2 2 346.475 2.119 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC001480053902 1099568302 /nfs/dbraw/zinc/56/83/02/1099568302.db2.gz QSJMOKPEYAVPLI-MFKMUULPSA-N 2 2 332.370 2.025 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC001480053902 1099568311 /nfs/dbraw/zinc/56/83/11/1099568311.db2.gz QSJMOKPEYAVPLI-MFKMUULPSA-N 2 2 332.370 2.025 10 0 EEAELP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001480079676 1099625441 /nfs/dbraw/zinc/62/54/41/1099625441.db2.gz OKUYXEORRNMCFV-IAGOWNOFSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001480079676 1099625447 /nfs/dbraw/zinc/62/54/47/1099625447.db2.gz OKUYXEORRNMCFV-IAGOWNOFSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001444918183 1100001922 /nfs/dbraw/zinc/00/19/22/1100001922.db2.gz GVIGRVRDZPYURX-OLZOCXBDSA-N 2 2 328.407 2.118 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001444937941 1100047552 /nfs/dbraw/zinc/04/75/52/1100047552.db2.gz IQXFNWCKWYWNFY-LJQANCHMSA-N 2 2 340.471 2.302 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nccs1 ZINC001480332988 1100094441 /nfs/dbraw/zinc/09/44/41/1100094441.db2.gz PITAXACTFZBBOL-HNNXBMFYSA-N 2 2 338.521 2.346 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nccs1 ZINC001480332988 1100094452 /nfs/dbraw/zinc/09/44/52/1100094452.db2.gz PITAXACTFZBBOL-HNNXBMFYSA-N 2 2 338.521 2.346 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001480489437 1100301351 /nfs/dbraw/zinc/30/13/51/1100301351.db2.gz HZKVDBMMNIVBMO-CABCVRRESA-N 2 2 344.434 2.188 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c(C)n1 ZINC001496205769 1100746793 /nfs/dbraw/zinc/74/67/93/1100746793.db2.gz CFZJREBIDWIFLV-CQSZACIVSA-N 2 2 343.475 2.336 10 0 EEAELP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001496566829 1101168601 /nfs/dbraw/zinc/16/86/01/1101168601.db2.gz MLQNBGACEJLETN-HNNXBMFYSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001496566829 1101168605 /nfs/dbraw/zinc/16/86/05/1101168605.db2.gz MLQNBGACEJLETN-HNNXBMFYSA-N 2 2 349.866 2.321 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC2CCCCCC2)CCOCC1 ZINC001446717440 1101285853 /nfs/dbraw/zinc/28/58/53/1101285853.db2.gz OCOYHVRIGSOXFL-UHFFFAOYSA-N 2 2 348.491 2.109 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CCC[C@@H]1CCOC1 ZINC001495705139 1101461915 /nfs/dbraw/zinc/46/19/15/1101461915.db2.gz LYRMZDAJVBQNBE-JKSUJKDBSA-N 2 2 344.459 2.107 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001495747884 1101525333 /nfs/dbraw/zinc/52/53/33/1101525333.db2.gz OCNDWIIUBIDRBT-HOTGVXAUSA-N 2 2 340.471 2.099 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001496860891 1101624979 /nfs/dbraw/zinc/62/49/79/1101624979.db2.gz QZPNXSRFNOPQDS-QZTJIDSGSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001496860891 1101624985 /nfs/dbraw/zinc/62/49/85/1101624985.db2.gz QZPNXSRFNOPQDS-QZTJIDSGSA-N 2 2 348.491 2.011 10 0 EEAELP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001497417002 1102457571 /nfs/dbraw/zinc/45/75/71/1102457571.db2.gz UFIWDPNGCRJKHH-MRXNPFEDSA-N 2 2 332.492 2.320 10 0 EEAELP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497460923 1102523623 /nfs/dbraw/zinc/52/36/23/1102523623.db2.gz RCAUWFJHCLNCJR-ZDUSSCGKSA-N 2 2 333.436 2.077 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C[C@@H]1CC[C@H](C)O1)C(C)C ZINC001493875526 1103011705 /nfs/dbraw/zinc/01/17/05/1103011705.db2.gz QMWVPSOSVPXGFS-HOCLYGCPSA-N 2 2 336.480 2.045 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C[C@@H]1CC[C@H](C)O1)C(C)C ZINC001493875526 1103011719 /nfs/dbraw/zinc/01/17/19/1103011719.db2.gz QMWVPSOSVPXGFS-HOCLYGCPSA-N 2 2 336.480 2.045 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001497764451 1103060036 /nfs/dbraw/zinc/06/00/36/1103060036.db2.gz JEPDNZYNZZQBTG-WZHGYECESA-N 2 2 344.846 2.486 10 0 EEAELP CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](CC(C)C)n1cc[nH+]c1)CCO2 ZINC001447708764 1103150673 /nfs/dbraw/zinc/15/06/73/1103150673.db2.gz SAPLNEBJFSJUSZ-KRWDZBQOSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497839305 1103173605 /nfs/dbraw/zinc/17/36/05/1103173605.db2.gz AWVXIPILDIUIKO-SJORKVTESA-N 2 2 340.471 2.357 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CCC[C@H]1CCOC1 ZINC001447787408 1103343449 /nfs/dbraw/zinc/34/34/49/1103343449.db2.gz XILPDKXTRKMAGS-IRXDYDNUSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC[C@H]1CCOC1 ZINC001447787408 1103343457 /nfs/dbraw/zinc/34/34/57/1103343457.db2.gz XILPDKXTRKMAGS-IRXDYDNUSA-N 2 2 348.491 2.000 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1C ZINC001497936538 1103371068 /nfs/dbraw/zinc/37/10/68/1103371068.db2.gz MICVKIWFUCFMSB-UONOGXRCSA-N 2 2 344.459 2.200 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1C ZINC001497936538 1103371095 /nfs/dbraw/zinc/37/10/95/1103371095.db2.gz MICVKIWFUCFMSB-UONOGXRCSA-N 2 2 344.459 2.200 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](Cc2cccc(F)c2)C1 ZINC001494085807 1103499214 /nfs/dbraw/zinc/49/92/14/1103499214.db2.gz ZRUSAYMNDFCTBZ-HNNXBMFYSA-N 2 2 330.407 2.051 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001494085807 1103499219 /nfs/dbraw/zinc/49/92/19/1103499219.db2.gz ZRUSAYMNDFCTBZ-HNNXBMFYSA-N 2 2 330.407 2.051 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)oc1C ZINC001448047507 1103893014 /nfs/dbraw/zinc/89/30/14/1103893014.db2.gz XLTNFADCNKLJKH-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)oc1C ZINC001448047507 1103893026 /nfs/dbraw/zinc/89/30/26/1103893026.db2.gz XLTNFADCNKLJKH-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)oc1C ZINC001448047507 1103893034 /nfs/dbraw/zinc/89/30/34/1103893034.db2.gz XLTNFADCNKLJKH-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)oc1C ZINC001448047507 1103893042 /nfs/dbraw/zinc/89/30/42/1103893042.db2.gz XLTNFADCNKLJKH-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCCOc2ccccc2)C1 ZINC001494431041 1104010440 /nfs/dbraw/zinc/01/04/40/1104010440.db2.gz GEKFXOUSQKFQIC-IBGZPJMESA-N 2 2 345.487 2.130 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCCOc2ccccc2)C1 ZINC001494431041 1104010451 /nfs/dbraw/zinc/01/04/51/1104010451.db2.gz GEKFXOUSQKFQIC-IBGZPJMESA-N 2 2 345.487 2.130 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@@H](C)CNC(=O)CCCn2cc[nH+]c2)s1 ZINC001448141258 1104094623 /nfs/dbraw/zinc/09/46/23/1104094623.db2.gz OVHGWTHMWGXRQI-ZDUSSCGKSA-N 2 2 335.477 2.065 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@@H](C)CNC(=O)CCCn2cc[nH+]c2)s1 ZINC001448141258 1104094635 /nfs/dbraw/zinc/09/46/35/1104094635.db2.gz OVHGWTHMWGXRQI-ZDUSSCGKSA-N 2 2 335.477 2.065 10 0 EEAELP Cc1ncc(C[NH+]2CC(CNC(=O)C3(C[NH+](C)C)CCCCC3)C2)o1 ZINC001494575253 1104163596 /nfs/dbraw/zinc/16/35/96/1104163596.db2.gz MYZJWBVKZVCJDD-UHFFFAOYSA-N 2 2 348.491 2.043 10 0 EEAELP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001495026217 1104669348 /nfs/dbraw/zinc/66/93/48/1104669348.db2.gz HRHKEACRQGPSQX-AWEZNQCLSA-N 2 2 349.866 2.086 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480708162 1106928260 /nfs/dbraw/zinc/92/82/60/1106928260.db2.gz FJTJLCBFGWCWSP-CVEARBPZSA-N 2 2 345.447 2.177 10 0 EEAELP CCc1ccccc1C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001493167923 1107629304 /nfs/dbraw/zinc/62/93/04/1107629304.db2.gz MNBMVRZCMORXFK-GOSISDBHSA-N 2 2 326.444 2.226 10 0 EEAELP CCc1ccccc1C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001493167923 1107629307 /nfs/dbraw/zinc/62/93/07/1107629307.db2.gz MNBMVRZCMORXFK-GOSISDBHSA-N 2 2 326.444 2.226 10 0 EEAELP CCCCC[N@@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001493208248 1107685731 /nfs/dbraw/zinc/68/57/31/1107685731.db2.gz XEEOYAIUJCFHGW-QAPCUYQASA-N 2 2 347.507 2.418 10 0 EEAELP CCCCC[N@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001493208248 1107685733 /nfs/dbraw/zinc/68/57/33/1107685733.db2.gz XEEOYAIUJCFHGW-QAPCUYQASA-N 2 2 347.507 2.418 10 0 EEAELP CCCCC[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001493208248 1107685739 /nfs/dbraw/zinc/68/57/39/1107685739.db2.gz XEEOYAIUJCFHGW-QAPCUYQASA-N 2 2 347.507 2.418 10 0 EEAELP CCCCC[NH+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001493208248 1107685743 /nfs/dbraw/zinc/68/57/43/1107685743.db2.gz XEEOYAIUJCFHGW-QAPCUYQASA-N 2 2 347.507 2.418 10 0 EEAELP CN(CCC[NH2+]Cc1nsc2ccccc12)C(=O)Cc1[nH]cc[nH+]1 ZINC001498634289 1107854183 /nfs/dbraw/zinc/85/41/83/1107854183.db2.gz YQUFFELLJVXWQE-UHFFFAOYSA-N 2 2 343.456 2.200 10 0 EEAELP COc1ccc(C[NH2+]CCCN(C)C(=O)Cc2[nH]c[nH+]c2C)cc1F ZINC001498648127 1107892056 /nfs/dbraw/zinc/89/20/56/1107892056.db2.gz QJJAFJFMPPTJCI-UHFFFAOYSA-N 2 2 348.422 2.047 10 0 EEAELP CC/C=C/CC[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001493386036 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349.441 2.449 10 0 EEAELP C[C@@H](Nc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000072431051 216223926 /nfs/dbraw/zinc/22/39/26/216223926.db2.gz IEGUXMTXGTZUCP-CYBMUJFWSA-N 2 2 349.442 2.106 10 0 EEAELP COc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC(F)F ZINC000422809029 240238284 /nfs/dbraw/zinc/23/82/84/240238284.db2.gz LSYFHHVJMHKVHQ-HZPDHXFCSA-N 2 2 342.386 2.153 10 0 EEAELP Cc1cc(N2CCC([NH2+][C@@H](C)c3c[nH+]ccc3N)CC2)nc(C)[nH+]1 ZINC000422835052 240253015 /nfs/dbraw/zinc/25/30/15/240253015.db2.gz ICHKCXAKIBUFMQ-ZDUSSCGKSA-N 3 2 326.448 2.221 10 0 EEAELP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422860678 240262724 /nfs/dbraw/zinc/26/27/24/240262724.db2.gz IPQKNBAGWKCRKE-PMACEKPBSA-N 2 2 348.487 2.267 10 0 EEAELP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422889877 240276770 /nfs/dbraw/zinc/27/67/70/240276770.db2.gz HDGLIQPHTVTUGS-ZOCIIQOWSA-N 2 2 345.487 2.072 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995879 240321250 /nfs/dbraw/zinc/32/12/50/240321250.db2.gz ZRLRZBJEAYNHTL-XPKDYRNWSA-N 2 2 330.394 2.444 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCNC(=O)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423017044 240329873 /nfs/dbraw/zinc/32/98/73/240329873.db2.gz VIWZWEZKWFVPRW-ROUUACIJSA-N 2 2 333.476 2.240 10 0 EEAELP Cn1ccc([C@H]([NH2+]CCOCC[NH+](C)C)c2ccc(Cl)cc2)n1 ZINC000447596074 242292672 /nfs/dbraw/zinc/29/26/72/242292672.db2.gz BPFFMZNRGVNITQ-QGZVFWFLSA-N 2 2 336.867 2.331 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000081094777 217362015 /nfs/dbraw/zinc/36/20/15/217362015.db2.gz XRHYJKZEGCLZEG-KDOFPFPSSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000081094777 217362016 /nfs/dbraw/zinc/36/20/16/217362016.db2.gz XRHYJKZEGCLZEG-KDOFPFPSSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000081094777 217362018 /nfs/dbraw/zinc/36/20/18/217362018.db2.gz XRHYJKZEGCLZEG-KDOFPFPSSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000081094777 217362019 /nfs/dbraw/zinc/36/20/19/217362019.db2.gz XRHYJKZEGCLZEG-KDOFPFPSSA-N 2 2 349.475 2.304 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000091980747 218097685 /nfs/dbraw/zinc/09/76/85/218097685.db2.gz HXJXTUZVXQVHCD-KRWDZBQOSA-N 2 2 335.467 2.227 10 0 EEAELP COC(=O)c1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000093146546 218197962 /nfs/dbraw/zinc/19/79/62/218197962.db2.gz WJJXQXBXXKUCSL-GOSISDBHSA-N 2 2 345.487 2.075 10 0 EEAELP COC(=O)c1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093146546 218197963 /nfs/dbraw/zinc/19/79/63/218197963.db2.gz WJJXQXBXXKUCSL-GOSISDBHSA-N 2 2 345.487 2.075 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000112554530 220349046 /nfs/dbraw/zinc/34/90/46/220349046.db2.gz FFGWRVHJCNLPFM-IYBDPMFKSA-N 2 2 329.492 2.349 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000112554530 220349052 /nfs/dbraw/zinc/34/90/52/220349052.db2.gz FFGWRVHJCNLPFM-IYBDPMFKSA-N 2 2 329.492 2.349 10 0 EEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000079069688 159128205 /nfs/dbraw/zinc/12/82/05/159128205.db2.gz LATZLYQYXGWWNA-INIZCTEOSA-N 2 2 331.464 2.152 10 0 EEAELP C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101643363 159254844 /nfs/dbraw/zinc/25/48/44/159254844.db2.gz OUJCRBGAAWPNTM-OAGGEKHMSA-N 2 2 330.476 2.428 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246101506 160263332 /nfs/dbraw/zinc/26/33/32/160263332.db2.gz HFQUBXJNGIJOOV-GOEBONIOSA-N 2 2 343.475 2.469 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246101506 160263333 /nfs/dbraw/zinc/26/33/33/160263333.db2.gz HFQUBXJNGIJOOV-GOEBONIOSA-N 2 2 343.475 2.469 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000246427610 160278009 /nfs/dbraw/zinc/27/80/09/160278009.db2.gz CIZULMNEBMYPIM-HOCLYGCPSA-N 2 2 335.517 2.295 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000246427610 160278012 /nfs/dbraw/zinc/27/80/12/160278012.db2.gz CIZULMNEBMYPIM-HOCLYGCPSA-N 2 2 335.517 2.295 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000246427610 160278013 /nfs/dbraw/zinc/27/80/13/160278013.db2.gz CIZULMNEBMYPIM-HOCLYGCPSA-N 2 2 335.517 2.295 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000246427610 160278015 /nfs/dbraw/zinc/27/80/15/160278015.db2.gz CIZULMNEBMYPIM-HOCLYGCPSA-N 2 2 335.517 2.295 10 0 EEAELP Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246619550 160287160 /nfs/dbraw/zinc/28/71/60/160287160.db2.gz QJMNAIFIGCNKCH-AEFFLSMTSA-N 2 2 326.444 2.391 10 0 EEAELP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000246619550 160287161 /nfs/dbraw/zinc/28/71/61/160287161.db2.gz QJMNAIFIGCNKCH-AEFFLSMTSA-N 2 2 326.444 2.391 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C ZINC000247114829 160310737 /nfs/dbraw/zinc/31/07/37/160310737.db2.gz RHPMEMUUYLXKQJ-ROUUACIJSA-N 2 2 329.444 2.404 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C ZINC000247114829 160310739 /nfs/dbraw/zinc/31/07/39/160310739.db2.gz RHPMEMUUYLXKQJ-ROUUACIJSA-N 2 2 329.444 2.404 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000247275829 160317685 /nfs/dbraw/zinc/31/76/85/160317685.db2.gz KCNILHSWMURNNB-HZPDHXFCSA-N 2 2 333.480 2.302 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000247275829 160317686 /nfs/dbraw/zinc/31/76/86/160317686.db2.gz KCNILHSWMURNNB-HZPDHXFCSA-N 2 2 333.480 2.302 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344050694 161193677 /nfs/dbraw/zinc/19/36/77/161193677.db2.gz HUTUSDWBBRYPII-ROUUACIJSA-N 2 2 342.487 2.407 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344050694 161193678 /nfs/dbraw/zinc/19/36/78/161193678.db2.gz HUTUSDWBBRYPII-ROUUACIJSA-N 2 2 342.487 2.407 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000344324132 161217346 /nfs/dbraw/zinc/21/73/46/161217346.db2.gz GGCLJVXYJCXHNR-INIZCTEOSA-N 2 2 347.507 2.198 10 0 EEAELP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374051456 167010579 /nfs/dbraw/zinc/01/05/79/167010579.db2.gz NVKMRNCPMRPZDY-UHMOLFJZSA-N 2 2 341.499 2.321 10 0 EEAELP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374051456 167010581 /nfs/dbraw/zinc/01/05/81/167010581.db2.gz NVKMRNCPMRPZDY-UHMOLFJZSA-N 2 2 341.499 2.321 10 0 EEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[NH+](C2CC2)CC1 ZINC000122592522 222119267 /nfs/dbraw/zinc/11/92/67/222119267.db2.gz GESBELXGJPLAPO-SFHVURJKSA-N 2 2 345.512 2.083 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123656878 222312722 /nfs/dbraw/zinc/31/27/22/222312722.db2.gz DYJBFQPOTXPHIL-VQIMIIECSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123656878 222312724 /nfs/dbraw/zinc/31/27/24/222312724.db2.gz DYJBFQPOTXPHIL-VQIMIIECSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123656878 222312726 /nfs/dbraw/zinc/31/27/26/222312726.db2.gz DYJBFQPOTXPHIL-VQIMIIECSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123656878 222312729 /nfs/dbraw/zinc/31/27/29/222312729.db2.gz DYJBFQPOTXPHIL-VQIMIIECSA-N 2 2 347.503 2.254 10 0 EEAELP Cc1nc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n[nH]1 ZINC000278631351 269237413 /nfs/dbraw/zinc/23/74/13/269237413.db2.gz GWIOHTSOONZMFN-BCDXTJNWSA-N 2 2 325.460 2.441 10 0 EEAELP Cc1nnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000278631351 269237415 /nfs/dbraw/zinc/23/74/15/269237415.db2.gz GWIOHTSOONZMFN-BCDXTJNWSA-N 2 2 325.460 2.441 10 0 EEAELP Cc1nnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000278631351 269237417 /nfs/dbraw/zinc/23/74/17/269237417.db2.gz GWIOHTSOONZMFN-BCDXTJNWSA-N 2 2 325.460 2.441 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000291072480 275267236 /nfs/dbraw/zinc/26/72/36/275267236.db2.gz SEVJIJLEEHJWAX-UHFFFAOYSA-N 2 2 338.423 2.342 10 0 EEAELP C[NH+](C)CCOc1cc(C(=O)N2CCCC[C@@H]2c2[nH]cc[nH+]2)ccn1 ZINC000095451501 276762942 /nfs/dbraw/zinc/76/29/42/276762942.db2.gz LHASFCJQLMQIOL-OAHLLOKOSA-N 2 2 343.431 2.113 10 0 EEAELP C[NH+]1CCC(CNC(=O)N2CC[C@@H](C3CC3)C2)([NH+]2CCCCC2)CC1 ZINC000344064833 277026389 /nfs/dbraw/zinc/02/63/89/277026389.db2.gz QHYLNDZBPVDZHU-GOSISDBHSA-N 2 2 348.535 2.378 10 0 EEAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427696131 277101782 /nfs/dbraw/zinc/10/17/82/277101782.db2.gz INBGSWMDMGKORQ-XJKSGUPXSA-N 2 2 342.409 2.313 10 0 EEAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427696131 277101783 /nfs/dbraw/zinc/10/17/83/277101783.db2.gz INBGSWMDMGKORQ-XJKSGUPXSA-N 2 2 342.409 2.313 10 0 EEAELP Clc1cccc2c1CCN(CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C2 ZINC000423053278 279295210 /nfs/dbraw/zinc/29/52/10/279295210.db2.gz AGLVHZZZBNQCEB-RTBURBONSA-N 2 2 349.906 2.055 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000333366407 312136521 /nfs/dbraw/zinc/13/65/21/312136521.db2.gz LVNUXXAIBZOMIR-NVXWUHKLSA-N 2 2 345.491 2.259 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000333908725 312212463 /nfs/dbraw/zinc/21/24/63/312212463.db2.gz KQSVVJKGMMKKEX-AYOQOUSVSA-N 2 2 345.491 2.282 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000333908725 312212466 /nfs/dbraw/zinc/21/24/66/312212466.db2.gz KQSVVJKGMMKKEX-AYOQOUSVSA-N 2 2 345.491 2.282 10 0 EEAELP COc1cc2c(c(OC)c1OC)CC[N@H+](C[C@@H]([NH3+])CC(C)C)CC2 ZINC000414739984 313074286 /nfs/dbraw/zinc/07/42/86/313074286.db2.gz CRFVROWSGVOOLJ-HNNXBMFYSA-N 2 2 336.476 2.486 10 0 EEAELP COc1cc2c(c(OC)c1OC)CC[N@@H+](C[C@@H]([NH3+])CC(C)C)CC2 ZINC000414739984 313074290 /nfs/dbraw/zinc/07/42/90/313074290.db2.gz CRFVROWSGVOOLJ-HNNXBMFYSA-N 2 2 336.476 2.486 10 0 EEAELP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414831117 313099311 /nfs/dbraw/zinc/09/93/11/313099311.db2.gz MRHKUWUDGGWJJU-KSSFIOAISA-N 2 2 337.423 2.351 10 0 EEAELP [NH3+]CCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000416999152 313388217 /nfs/dbraw/zinc/38/82/17/313388217.db2.gz QGOFXYZNUWFQTB-AWEZNQCLSA-N 2 2 342.846 2.264 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@@H](C)C[NH3+])c(C)c1 ZINC000417908938 313645989 /nfs/dbraw/zinc/64/59/89/313645989.db2.gz BZSUREXHFQCISG-RDJZCZTQSA-N 2 2 329.448 2.230 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)C[NH3+])c(C)c1 ZINC000417943278 313660999 /nfs/dbraw/zinc/66/09/99/313660999.db2.gz UUPKDMGXCQUHLC-PBHICJAKSA-N 2 2 329.448 2.135 10 0 EEAELP [NH3+][C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000418420568 313807734 /nfs/dbraw/zinc/80/77/34/313807734.db2.gz BIWGCLKAIKWUNY-KRWDZBQOSA-N 2 2 344.484 2.275 10 0 EEAELP CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000418748498 313896629 /nfs/dbraw/zinc/89/66/29/313896629.db2.gz KWCXLVKNXMWIQA-KGLIPLIRSA-N 2 2 349.385 2.138 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O ZINC000422637821 314297559 /nfs/dbraw/zinc/29/75/59/314297559.db2.gz PJHWOULAGJAAEA-KRWDZBQOSA-N 2 2 331.435 2.457 10 0 EEAELP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425217599 314359512 /nfs/dbraw/zinc/35/95/12/314359512.db2.gz OSJRJBNCJGYQTP-IRXDYDNUSA-N 2 2 326.444 2.484 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435001084 314878209 /nfs/dbraw/zinc/87/82/09/314878209.db2.gz RIPRQLHAPGMHTQ-INIZCTEOSA-N 2 2 345.443 2.428 10 0 EEAELP O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527808005 317267251 /nfs/dbraw/zinc/26/72/51/317267251.db2.gz OWIYOIPREGYUGQ-GOSISDBHSA-N 2 2 331.460 2.491 10 0 EEAELP O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527808005 317267254 /nfs/dbraw/zinc/26/72/54/317267254.db2.gz OWIYOIPREGYUGQ-GOSISDBHSA-N 2 2 331.460 2.491 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000541776917 318109125 /nfs/dbraw/zinc/10/91/25/318109125.db2.gz ORUSQMLNBRITFO-KRWDZBQOSA-N 2 2 342.443 2.308 10 0 EEAELP CC(C)[NH+]1CCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000545949841 318235150 /nfs/dbraw/zinc/23/51/50/318235150.db2.gz SLUFTDLGSRHCEU-HNNXBMFYSA-N 2 2 341.459 2.430 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000563861307 319049242 /nfs/dbraw/zinc/04/92/42/319049242.db2.gz DQLSYWIRHHTNGX-APWZRJJASA-N 2 2 333.451 2.110 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000563861307 319049244 /nfs/dbraw/zinc/04/92/44/319049244.db2.gz DQLSYWIRHHTNGX-APWZRJJASA-N 2 2 333.451 2.110 10 0 EEAELP [NH3+]C[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000564892245 319123835 /nfs/dbraw/zinc/12/38/35/319123835.db2.gz SFIQFZPJFBFHLC-QGZVFWFLSA-N 2 2 347.459 2.274 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccncc1Cl ZINC000565827386 319218058 /nfs/dbraw/zinc/21/80/58/319218058.db2.gz AZGQVILBBOWRFR-IUODEOHRSA-N 2 2 347.850 2.310 10 0 EEAELP COc1cncc(/C=C\CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000566156455 319253454 /nfs/dbraw/zinc/25/34/54/319253454.db2.gz XAPNJDCQSQIXOJ-HCABJEFNSA-N 2 2 331.460 2.148 10 0 EEAELP COc1cncc(/C=C\CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000566156455 319253456 /nfs/dbraw/zinc/25/34/56/319253456.db2.gz XAPNJDCQSQIXOJ-HCABJEFNSA-N 2 2 331.460 2.148 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000567257765 319364557 /nfs/dbraw/zinc/36/45/57/319364557.db2.gz IJWUMRARUSDJKC-XNJGSVPQSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000567257765 319364559 /nfs/dbraw/zinc/36/45/59/319364559.db2.gz IJWUMRARUSDJKC-XNJGSVPQSA-N 2 2 328.416 2.106 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000298038973 465282844 /nfs/dbraw/zinc/28/28/44/465282844.db2.gz HOJGFWZPZGSNJW-UHFFFAOYSA-N 2 2 333.436 2.078 10 0 EEAELP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000351711754 465308794 /nfs/dbraw/zinc/30/87/94/465308794.db2.gz JJGDHSLFNRKOHG-QGZVFWFLSA-N 2 2 338.879 2.390 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000351711754 465308798 /nfs/dbraw/zinc/30/87/98/465308798.db2.gz JJGDHSLFNRKOHG-QGZVFWFLSA-N 2 2 338.879 2.390 10 0 EEAELP Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)CN2 ZINC000065474716 462777129 /nfs/dbraw/zinc/77/71/29/462777129.db2.gz JWFHSVRZOQPCSZ-HNNXBMFYSA-N 2 2 340.406 2.348 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC3CCCC3)CC2)CC1 ZINC000051269917 463028040 /nfs/dbraw/zinc/02/80/40/463028040.db2.gz NOAKLZMFWHQENR-UHFFFAOYSA-N 2 2 336.524 2.425 10 0 EEAELP O=C(NCCC[NH+]1CCCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077714310 463029292 /nfs/dbraw/zinc/02/92/92/463029292.db2.gz ZWFROFBWXAOPFD-UHFFFAOYSA-N 2 2 345.491 2.226 10 0 EEAELP CCOc1ccccc1C[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000052163977 463065151 /nfs/dbraw/zinc/06/51/51/463065151.db2.gz COBTXHILMLGVCY-UHFFFAOYSA-N 2 2 333.476 2.118 10 0 EEAELP CCOc1ccccc1C[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000052163977 463065160 /nfs/dbraw/zinc/06/51/60/463065160.db2.gz COBTXHILMLGVCY-UHFFFAOYSA-N 2 2 333.476 2.118 10 0 EEAELP COC(=O)c1ccc([C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)o1 ZINC000095995355 463133510 /nfs/dbraw/zinc/13/35/10/463133510.db2.gz DSXWHFGSFQVXCS-CVEARBPZSA-N 2 2 349.475 2.229 10 0 EEAELP COC(=O)c1ccc([C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)o1 ZINC000095995355 463133513 /nfs/dbraw/zinc/13/35/13/463133513.db2.gz DSXWHFGSFQVXCS-CVEARBPZSA-N 2 2 349.475 2.229 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000579332752 468342916 /nfs/dbraw/zinc/34/29/16/468342916.db2.gz ZKPBGOCRHJQAJS-WMZOPIPTSA-N 2 2 341.459 2.292 10 0 EEAELP COc1c(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)c(C(C)C)nn1C ZINC000069535694 463272440 /nfs/dbraw/zinc/27/24/40/463272440.db2.gz IBCCNWQXAQXYJI-UHFFFAOYSA-N 2 2 340.431 2.423 10 0 EEAELP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)on1 ZINC000097200625 463345079 /nfs/dbraw/zinc/34/50/79/463345079.db2.gz ZKWSDPNFFIIGCI-ZIAGYGMSSA-N 2 2 329.404 2.139 10 0 EEAELP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)on1 ZINC000097200625 463345086 /nfs/dbraw/zinc/34/50/86/463345086.db2.gz ZKWSDPNFFIIGCI-ZIAGYGMSSA-N 2 2 329.404 2.139 10 0 EEAELP C[C@H]1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1=O ZINC000536537620 468355313 /nfs/dbraw/zinc/35/53/13/468355313.db2.gz BAUZCKBZFZNSHH-DLBZAZTESA-N 2 2 349.519 2.058 10 0 EEAELP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC(c2ccccc2)=N1 ZINC000150778525 463426275 /nfs/dbraw/zinc/42/62/75/463426275.db2.gz NRPZZDABNMMWME-QGZVFWFLSA-N 2 2 340.471 2.041 10 0 EEAELP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC(c2ccccc2)=N1 ZINC000150778525 463426280 /nfs/dbraw/zinc/42/62/80/463426280.db2.gz NRPZZDABNMMWME-QGZVFWFLSA-N 2 2 340.471 2.041 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@H]3CCO[C@@H]3c3cnn(C)c3)c[nH+]c12 ZINC000084247946 463587412 /nfs/dbraw/zinc/58/74/12/463587412.db2.gz MOLORGCCXPMHKE-PBHICJAKSA-N 2 2 325.416 2.244 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(F)c1 ZINC000568638565 468367253 /nfs/dbraw/zinc/36/72/53/468367253.db2.gz BYBAFRLDEPIBGR-KRWDZBQOSA-N 2 2 335.467 2.436 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(F)c1 ZINC000568638565 468367257 /nfs/dbraw/zinc/36/72/57/468367257.db2.gz BYBAFRLDEPIBGR-KRWDZBQOSA-N 2 2 335.467 2.436 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(C)C ZINC000126932929 463671272 /nfs/dbraw/zinc/67/12/72/463671272.db2.gz OEXGELBUDUHMGZ-VPSFDDGASA-N 2 2 336.524 2.373 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)(C)C ZINC000126932929 463671276 /nfs/dbraw/zinc/67/12/76/463671276.db2.gz OEXGELBUDUHMGZ-VPSFDDGASA-N 2 2 336.524 2.373 10 0 EEAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177535655 463730585 /nfs/dbraw/zinc/73/05/85/463730585.db2.gz SJFFMMIQUHQZOG-DLBZAZTESA-N 2 2 333.480 2.322 10 0 EEAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177535655 463730592 /nfs/dbraw/zinc/73/05/92/463730592.db2.gz SJFFMMIQUHQZOG-DLBZAZTESA-N 2 2 333.480 2.322 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923058 463809893 /nfs/dbraw/zinc/80/98/93/463809893.db2.gz XHKUBFQLYMRWNS-ZVDOUQERSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268923058 463809898 /nfs/dbraw/zinc/80/98/98/463809898.db2.gz XHKUBFQLYMRWNS-ZVDOUQERSA-N 3 2 344.547 2.123 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261657169 463817889 /nfs/dbraw/zinc/81/78/89/463817889.db2.gz BURFUCFQSCEYMU-GASCZTMLSA-N 2 2 326.444 2.057 10 0 EEAELP C[C@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000261712889 463835294 /nfs/dbraw/zinc/83/52/94/463835294.db2.gz DVBQGXKHMYBBBJ-KXBFYZLASA-N 2 2 349.906 2.415 10 0 EEAELP C[C@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000261712889 463835298 /nfs/dbraw/zinc/83/52/98/463835298.db2.gz DVBQGXKHMYBBBJ-KXBFYZLASA-N 2 2 349.906 2.415 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000277097920 463873664 /nfs/dbraw/zinc/87/36/64/463873664.db2.gz VYJIMXWEZWJPRN-SFHVURJKSA-N 2 2 341.455 2.476 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC000277097920 463873666 /nfs/dbraw/zinc/87/36/66/463873666.db2.gz VYJIMXWEZWJPRN-SFHVURJKSA-N 2 2 341.455 2.476 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)N(C)C)cc1 ZINC000261865565 463881887 /nfs/dbraw/zinc/88/18/87/463881887.db2.gz COKMBMFFRFUKPV-ZRNYENFQSA-N 2 2 331.504 2.344 10 0 EEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H]1CC13CC[NH2+]CC3)C2 ZINC000261996418 463921238 /nfs/dbraw/zinc/92/12/38/463921238.db2.gz ZGGPQVIPSBMICR-ZIAGYGMSSA-N 2 2 330.476 2.001 10 0 EEAELP COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)[NH+](C)C)c1 ZINC000262042343 463932625 /nfs/dbraw/zinc/93/26/25/463932625.db2.gz YRLNNKCDCSFVCT-ZRNYENFQSA-N 2 2 347.503 2.045 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000195296012 464034405 /nfs/dbraw/zinc/03/44/05/464034405.db2.gz JMCACZMGIAWJGM-GOSISDBHSA-N 2 2 346.519 2.388 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000195296012 464034411 /nfs/dbraw/zinc/03/44/11/464034411.db2.gz JMCACZMGIAWJGM-GOSISDBHSA-N 2 2 346.519 2.388 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000195296012 464034418 /nfs/dbraw/zinc/03/44/18/464034418.db2.gz JMCACZMGIAWJGM-GOSISDBHSA-N 2 2 346.519 2.388 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000195296012 464034425 /nfs/dbraw/zinc/03/44/25/464034425.db2.gz JMCACZMGIAWJGM-GOSISDBHSA-N 2 2 346.519 2.388 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263194729 464061662 /nfs/dbraw/zinc/06/16/62/464061662.db2.gz IHOLTLVFRSAVCO-CZUORRHYSA-N 2 2 337.414 2.325 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000195516231 464063638 /nfs/dbraw/zinc/06/36/38/464063638.db2.gz ZYAQFYMLMYVYQG-KDOFPFPSSA-N 2 2 342.418 2.490 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000195516231 464063644 /nfs/dbraw/zinc/06/36/44/464063644.db2.gz ZYAQFYMLMYVYQG-KDOFPFPSSA-N 2 2 342.418 2.490 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292261036 464176988 /nfs/dbraw/zinc/17/69/88/464176988.db2.gz YOZKXVQDWZQTHL-QMTMVMCOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292261036 464176990 /nfs/dbraw/zinc/17/69/90/464176990.db2.gz YOZKXVQDWZQTHL-QMTMVMCOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292261036 464176992 /nfs/dbraw/zinc/17/69/92/464176992.db2.gz YOZKXVQDWZQTHL-QMTMVMCOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292261036 464176994 /nfs/dbraw/zinc/17/69/94/464176994.db2.gz YOZKXVQDWZQTHL-QMTMVMCOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180662507 464363417 /nfs/dbraw/zinc/36/34/17/464363417.db2.gz JEUYIGVHIXUOTR-HNNXBMFYSA-N 2 2 335.411 2.234 10 0 EEAELP Cc1cn2cc(NC(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)ccc2[nH+]1 ZINC000265718828 464659093 /nfs/dbraw/zinc/65/90/93/464659093.db2.gz NZJQTZSDZPHOSP-GJZGRUSLSA-N 2 2 345.447 2.264 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248642219 464777561 /nfs/dbraw/zinc/77/75/61/464777561.db2.gz CZHGILNXXIRRDY-MOPGFXCFSA-N 2 2 333.476 2.379 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248642219 464777567 /nfs/dbraw/zinc/77/75/67/464777567.db2.gz CZHGILNXXIRRDY-MOPGFXCFSA-N 2 2 333.476 2.379 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248642219 464777573 /nfs/dbraw/zinc/77/75/73/464777573.db2.gz CZHGILNXXIRRDY-MOPGFXCFSA-N 2 2 333.476 2.379 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248642219 464777576 /nfs/dbraw/zinc/77/75/76/464777576.db2.gz CZHGILNXXIRRDY-MOPGFXCFSA-N 2 2 333.476 2.379 10 0 EEAELP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248842481 464808048 /nfs/dbraw/zinc/80/80/48/464808048.db2.gz LYXYFJLKTCDTRZ-SJORKVTESA-N 2 2 339.524 2.209 10 0 EEAELP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248842481 464808053 /nfs/dbraw/zinc/80/80/53/464808053.db2.gz LYXYFJLKTCDTRZ-SJORKVTESA-N 2 2 339.524 2.209 10 0 EEAELP Cc1cccc(N2CCC(NC(=O)c3c[nH+]ccc3N(C)C)CC2)[nH+]1 ZINC000183576139 464881654 /nfs/dbraw/zinc/88/16/54/464881654.db2.gz JMPZRPTYSOWKIY-UHFFFAOYSA-N 2 2 339.443 2.250 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000177344577 464991435 /nfs/dbraw/zinc/99/14/35/464991435.db2.gz LPBRPMJRDUOHQG-MSOLQXFVSA-N 2 2 341.459 2.360 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](F)(c3ccccc3C)C2)CC1 ZINC000337423773 465359837 /nfs/dbraw/zinc/35/98/37/465359837.db2.gz VUJJJIUXYHJFJE-PXNSSMCTSA-N 2 2 347.478 2.418 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](F)(c3ccccc3C)C2)CC1 ZINC000337423773 465359843 /nfs/dbraw/zinc/35/98/43/465359843.db2.gz VUJJJIUXYHJFJE-PXNSSMCTSA-N 2 2 347.478 2.418 10 0 EEAELP COc1ccc(OC)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371296494 465695296 /nfs/dbraw/zinc/69/52/96/465695296.db2.gz ZWXWOFIJIUEDKK-KVSKMBFKSA-N 2 2 334.460 2.387 10 0 EEAELP COc1ccc(OC)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371296494 465695299 /nfs/dbraw/zinc/69/52/99/465695299.db2.gz ZWXWOFIJIUEDKK-KVSKMBFKSA-N 2 2 334.460 2.387 10 0 EEAELP CCCn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000344888929 465796799 /nfs/dbraw/zinc/79/67/99/465796799.db2.gz OJNHIRDYZNPSLM-UHFFFAOYSA-N 2 2 342.491 2.831 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H](C)C(=O)OC)CC1 ZINC000361174806 465814494 /nfs/dbraw/zinc/81/44/94/465814494.db2.gz GHKQBOVVOQJMME-MRXNPFEDSA-N 2 2 333.476 2.212 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H](C)C(=O)OC)CC1 ZINC000361174806 465814505 /nfs/dbraw/zinc/81/45/05/465814505.db2.gz GHKQBOVVOQJMME-MRXNPFEDSA-N 2 2 333.476 2.212 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000353428204 465875067 /nfs/dbraw/zinc/87/50/67/465875067.db2.gz DFCANUBMBALXLD-NUJGCVRESA-N 2 2 337.508 2.009 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000353428204 465875073 /nfs/dbraw/zinc/87/50/73/465875073.db2.gz DFCANUBMBALXLD-NUJGCVRESA-N 2 2 337.508 2.009 10 0 EEAELP C[N@H+](CCCO)C1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000353476067 465913573 /nfs/dbraw/zinc/91/35/73/465913573.db2.gz ZQCGLLNIOYZFJD-UHFFFAOYSA-N 2 2 346.500 2.484 10 0 EEAELP C[N@@H+](CCCO)C1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000353476067 465913582 /nfs/dbraw/zinc/91/35/82/465913582.db2.gz ZQCGLLNIOYZFJD-UHFFFAOYSA-N 2 2 346.500 2.484 10 0 EEAELP C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340249368 465921149 /nfs/dbraw/zinc/92/11/49/465921149.db2.gz GPPGWGLAKLQULA-HNAYVOBHSA-N 2 2 344.503 2.245 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000353596661 466003896 /nfs/dbraw/zinc/00/38/96/466003896.db2.gz OGXZLPHBZPWZCH-WLYUNCDWSA-N 2 2 345.413 2.452 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000361528844 466076773 /nfs/dbraw/zinc/07/67/73/466076773.db2.gz BNNFQGHBYBEGKS-MRXNPFEDSA-N 2 2 348.491 2.246 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000362960824 466147718 /nfs/dbraw/zinc/14/77/18/466147718.db2.gz AVOVDGPFACDOLY-INIZCTEOSA-N 2 2 333.480 2.218 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC34CCOCC4)c2cc1C ZINC000372254301 466251846 /nfs/dbraw/zinc/25/18/46/466251846.db2.gz FHUWNPVWWBTOOS-INIZCTEOSA-N 2 2 329.444 2.269 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC34CCOCC4)c2cc1C ZINC000372254301 466251853 /nfs/dbraw/zinc/25/18/53/466251853.db2.gz FHUWNPVWWBTOOS-INIZCTEOSA-N 2 2 329.444 2.269 10 0 EEAELP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000349828808 466260232 /nfs/dbraw/zinc/26/02/32/466260232.db2.gz NPCQRFIHRVIYLC-HNNXBMFYSA-N 3 2 333.505 2.049 10 0 EEAELP C[C@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358188063 466525741 /nfs/dbraw/zinc/52/57/41/466525741.db2.gz KSKUZLGXSITFDV-CSQLCUNESA-N 2 2 327.472 2.106 10 0 EEAELP C[C@H]1C[C@H]1N1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358188063 466525749 /nfs/dbraw/zinc/52/57/49/466525749.db2.gz KSKUZLGXSITFDV-CSQLCUNESA-N 2 2 327.472 2.106 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)CCC2 ZINC000332675355 466551020 /nfs/dbraw/zinc/55/10/20/466551020.db2.gz BETZYCRHSDRDMX-CVEARBPZSA-N 2 2 342.447 2.140 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)CCC2 ZINC000332687167 466553221 /nfs/dbraw/zinc/55/32/21/466553221.db2.gz OKCKMRCDSUFKLP-IAGOWNOFSA-N 2 2 347.507 2.489 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000324185815 466643827 /nfs/dbraw/zinc/64/38/27/466643827.db2.gz IYMIDAHQFRUUTF-ZVZYQTTQSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000324185815 466643830 /nfs/dbraw/zinc/64/38/30/466643830.db2.gz IYMIDAHQFRUUTF-ZVZYQTTQSA-N 2 2 333.451 2.467 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324240518 466644728 /nfs/dbraw/zinc/64/47/28/466644728.db2.gz XUHGMWONNJAILY-RBUKOAKNSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324240518 466644730 /nfs/dbraw/zinc/64/47/30/466644730.db2.gz XUHGMWONNJAILY-RBUKOAKNSA-N 2 2 329.488 2.417 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422625242 466678701 /nfs/dbraw/zinc/67/87/01/466678701.db2.gz BATDHRZNLVFGGD-MJBXVCDLSA-N 2 2 337.430 2.339 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422625242 466678705 /nfs/dbraw/zinc/67/87/05/466678705.db2.gz BATDHRZNLVFGGD-MJBXVCDLSA-N 2 2 337.430 2.339 10 0 EEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423084766 466691422 /nfs/dbraw/zinc/69/14/22/466691422.db2.gz IVKPSPKMCIYUCQ-LKGAJIBZSA-N 3 2 349.441 2.148 10 0 EEAELP COC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCOCC1 ZINC000365403042 466808764 /nfs/dbraw/zinc/80/87/64/466808764.db2.gz DTOSURISYAOUCH-SFHVURJKSA-N 2 2 333.476 2.079 10 0 EEAELP COC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CCOCC1 ZINC000365403042 466808768 /nfs/dbraw/zinc/80/87/68/466808768.db2.gz DTOSURISYAOUCH-SFHVURJKSA-N 2 2 333.476 2.079 10 0 EEAELP CC1(C)CCC[NH2+][C@H]1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423708504 466810422 /nfs/dbraw/zinc/81/04/22/466810422.db2.gz GZIKDUNVSLOKKR-KRWDZBQOSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@H](O)CNc1[nH+]c2ccccc2n1CC[N@H+](C)Cc1ccccc1 ZINC000418759462 467155982 /nfs/dbraw/zinc/15/59/82/467155982.db2.gz IFGWRLOPXVXHAT-INIZCTEOSA-N 2 2 338.455 2.961 10 0 EEAELP C[C@H](O)CNc1[nH+]c2ccccc2n1CC[N@@H+](C)Cc1ccccc1 ZINC000418759462 467155985 /nfs/dbraw/zinc/15/59/85/467155985.db2.gz IFGWRLOPXVXHAT-INIZCTEOSA-N 2 2 338.455 2.961 10 0 EEAELP CC(C)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCCCC1 ZINC000378089364 467195255 /nfs/dbraw/zinc/19/52/55/467195255.db2.gz FLAJAHSFZUEJQR-QAPCUYQASA-N 2 2 347.507 2.467 10 0 EEAELP CC(C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCCCCC1 ZINC000378089364 467195258 /nfs/dbraw/zinc/19/52/58/467195258.db2.gz FLAJAHSFZUEJQR-QAPCUYQASA-N 2 2 347.507 2.467 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000413588149 467273156 /nfs/dbraw/zinc/27/31/56/467273156.db2.gz NVOZYEPKKKUMOR-INIZCTEOSA-N 2 2 341.459 2.319 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000413588149 467273159 /nfs/dbraw/zinc/27/31/59/467273159.db2.gz NVOZYEPKKKUMOR-INIZCTEOSA-N 2 2 341.459 2.319 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000378492131 467321200 /nfs/dbraw/zinc/32/12/00/467321200.db2.gz GGQJABYCGVRILU-UYAOXDASSA-N 2 2 345.487 2.180 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000378492131 467321203 /nfs/dbraw/zinc/32/12/03/467321203.db2.gz GGQJABYCGVRILU-UYAOXDASSA-N 2 2 345.487 2.180 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420371165 467382613 /nfs/dbraw/zinc/38/26/13/467382613.db2.gz LNEPVCGRLASFJL-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420371165 467382618 /nfs/dbraw/zinc/38/26/18/467382618.db2.gz LNEPVCGRLASFJL-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420389400 467390327 /nfs/dbraw/zinc/39/03/27/467390327.db2.gz XMDVUFWPLLAYOI-OXJNMPFZSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420389400 467390332 /nfs/dbraw/zinc/39/03/32/467390332.db2.gz XMDVUFWPLLAYOI-OXJNMPFZSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297750 467399334 /nfs/dbraw/zinc/39/93/34/467399334.db2.gz GNNNCPYUMZBPQS-PXNSSMCTSA-N 3 2 343.515 2.086 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297750 467399340 /nfs/dbraw/zinc/39/93/40/467399340.db2.gz GNNNCPYUMZBPQS-PXNSSMCTSA-N 3 2 343.515 2.086 10 0 EEAELP CC1=C[C@@H](C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430264169 467414729 /nfs/dbraw/zinc/41/47/29/467414729.db2.gz QVWJSKZXYUCNEH-QGZVFWFLSA-N 2 2 327.472 2.229 10 0 EEAELP CC1=C[C@@H](C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430264169 467414734 /nfs/dbraw/zinc/41/47/34/467414734.db2.gz QVWJSKZXYUCNEH-QGZVFWFLSA-N 2 2 327.472 2.229 10 0 EEAELP COCC[NH+]1CCC([NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000449401127 467639579 /nfs/dbraw/zinc/63/95/79/467639579.db2.gz LMKGCAMMWQXGSA-UHFFFAOYSA-N 2 2 348.310 2.414 10 0 EEAELP CC(C)CCc1noc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000530242487 467967470 /nfs/dbraw/zinc/96/74/70/467967470.db2.gz TWFFNFSGGUVDLC-INIZCTEOSA-N 2 2 336.480 2.249 10 0 EEAELP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000517060906 468068263 /nfs/dbraw/zinc/06/82/63/468068263.db2.gz PMQMGOKDRRLUQA-JSGCOSHPSA-N 2 2 328.416 2.283 10 0 EEAELP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000517060906 468068267 /nfs/dbraw/zinc/06/82/67/468068267.db2.gz PMQMGOKDRRLUQA-JSGCOSHPSA-N 2 2 328.416 2.283 10 0 EEAELP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000494947653 468081357 /nfs/dbraw/zinc/08/13/57/468081357.db2.gz ANGWRZVDFXYIHF-RUXDESIVSA-N 2 2 347.425 2.439 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)o1 ZINC000532747409 468135937 /nfs/dbraw/zinc/13/59/37/468135937.db2.gz SWBZMXLYSBUSLH-ARFHVFGLSA-N 2 2 336.432 2.058 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)o1 ZINC000532747409 468135944 /nfs/dbraw/zinc/13/59/44/468135944.db2.gz SWBZMXLYSBUSLH-ARFHVFGLSA-N 2 2 336.432 2.058 10 0 EEAELP Cc1nc(N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000489946373 468179863 /nfs/dbraw/zinc/17/98/63/468179863.db2.gz DHNJMTXCPUSVNJ-KRWDZBQOSA-N 2 2 340.475 2.204 10 0 EEAELP Cc1nc(N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000489946373 468179866 /nfs/dbraw/zinc/17/98/66/468179866.db2.gz DHNJMTXCPUSVNJ-KRWDZBQOSA-N 2 2 340.475 2.204 10 0 EEAELP O=C(Nc1nccs1)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000519828359 468218739 /nfs/dbraw/zinc/21/87/39/468218739.db2.gz OKQODEHKSQZEOT-INIZCTEOSA-N 2 2 342.468 2.392 10 0 EEAELP O=C(Nc1nccs1)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000519828359 468218745 /nfs/dbraw/zinc/21/87/45/468218745.db2.gz OKQODEHKSQZEOT-INIZCTEOSA-N 2 2 342.468 2.392 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH2+]CC2)c(C)c1 ZINC000569676914 468526205 /nfs/dbraw/zinc/52/62/05/468526205.db2.gz LXFTYJINJFLZPF-SFHVURJKSA-N 2 2 341.459 2.292 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000570221819 468606472 /nfs/dbraw/zinc/60/64/72/468606472.db2.gz GQBFDVMOZRAJMU-LLVKDONJSA-N 2 2 347.356 2.030 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000570221819 468606476 /nfs/dbraw/zinc/60/64/76/468606476.db2.gz GQBFDVMOZRAJMU-LLVKDONJSA-N 2 2 347.356 2.030 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592393052 468688261 /nfs/dbraw/zinc/68/82/61/468688261.db2.gz CNZJCMPSHMATEH-GOEBONIOSA-N 2 2 338.492 2.197 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592393052 468688265 /nfs/dbraw/zinc/68/82/65/468688265.db2.gz CNZJCMPSHMATEH-GOEBONIOSA-N 2 2 338.492 2.197 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1C ZINC000583441444 468697922 /nfs/dbraw/zinc/69/79/22/468697922.db2.gz FUQFPLOLQSCVCK-HFTRVMKXSA-N 2 2 335.467 2.159 10 0 EEAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000595003318 468741913 /nfs/dbraw/zinc/74/19/13/468741913.db2.gz GZYBOFJERCTDGT-HZPDHXFCSA-N 2 2 328.497 2.301 10 0 EEAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000595003318 468741914 /nfs/dbraw/zinc/74/19/14/468741914.db2.gz GZYBOFJERCTDGT-HZPDHXFCSA-N 2 2 328.497 2.301 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595108127 468759819 /nfs/dbraw/zinc/75/98/19/468759819.db2.gz ZSLALKKJMZTOLX-HOCLYGCPSA-N 2 2 326.481 2.197 10 0 EEAELP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000601253422 468798920 /nfs/dbraw/zinc/79/89/20/468798920.db2.gz SGBZHXQKJXCHCI-QGZVFWFLSA-N 2 2 345.491 2.222 10 0 EEAELP CCC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000584189824 468817575 /nfs/dbraw/zinc/81/75/75/468817575.db2.gz VFGIZPLMQWQYNT-SFHVURJKSA-N 2 2 326.444 2.396 10 0 EEAELP CCC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000584189824 468817580 /nfs/dbraw/zinc/81/75/80/468817580.db2.gz VFGIZPLMQWQYNT-SFHVURJKSA-N 2 2 326.444 2.396 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000584287693 468837311 /nfs/dbraw/zinc/83/73/11/468837311.db2.gz YLGYUKIECMZNCQ-KGLIPLIRSA-N 2 2 339.361 2.479 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000584287693 468837316 /nfs/dbraw/zinc/83/73/16/468837316.db2.gz YLGYUKIECMZNCQ-KGLIPLIRSA-N 2 2 339.361 2.479 10 0 EEAELP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572257179 468908927 /nfs/dbraw/zinc/90/89/27/468908927.db2.gz GSHWUWHZMUPBRV-UHFFFAOYSA-N 2 2 332.404 2.127 10 0 EEAELP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572257179 468908929 /nfs/dbraw/zinc/90/89/29/468908929.db2.gz GSHWUWHZMUPBRV-UHFFFAOYSA-N 2 2 332.404 2.127 10 0 EEAELP COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000595906976 469075665 /nfs/dbraw/zinc/07/56/65/469075665.db2.gz POQALXZTJLRXBN-HUUCEWRRSA-N 2 2 338.448 2.478 10 0 EEAELP COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000595906976 469075670 /nfs/dbraw/zinc/07/56/70/469075670.db2.gz POQALXZTJLRXBN-HUUCEWRRSA-N 2 2 338.448 2.478 10 0 EEAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000573668801 469181446 /nfs/dbraw/zinc/18/14/46/469181446.db2.gz UDVCIDQMLCXPNV-CHWSQXEVSA-N 2 2 341.406 2.137 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000618547764 469385607 /nfs/dbraw/zinc/38/56/07/469385607.db2.gz ZKEWRPFTDNGWSU-XJKSGUPXSA-N 2 2 338.883 2.336 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000618547764 469385612 /nfs/dbraw/zinc/38/56/12/469385612.db2.gz ZKEWRPFTDNGWSU-XJKSGUPXSA-N 2 2 338.883 2.336 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000629525139 469573152 /nfs/dbraw/zinc/57/31/52/469573152.db2.gz YBWIPWSNTUQXRY-AEGPPILISA-N 2 2 335.448 2.151 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584371 469585124 /nfs/dbraw/zinc/58/51/24/469585124.db2.gz PQKKVKGNJCERFV-ZOCIIQOWSA-N 2 2 333.451 2.104 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584371 469585129 /nfs/dbraw/zinc/58/51/29/469585129.db2.gz PQKKVKGNJCERFV-ZOCIIQOWSA-N 2 2 333.451 2.104 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629603331 469590627 /nfs/dbraw/zinc/59/06/27/469590627.db2.gz MMOUGNZTOLRYDJ-RBUKOAKNSA-N 2 2 348.487 2.179 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629603331 469590631 /nfs/dbraw/zinc/59/06/31/469590631.db2.gz MMOUGNZTOLRYDJ-RBUKOAKNSA-N 2 2 348.487 2.179 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000623415288 469650176 /nfs/dbraw/zinc/65/01/76/469650176.db2.gz GNZMRHWFIODPLJ-IRXDYDNUSA-N 2 2 326.444 2.173 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000617765543 469796295 /nfs/dbraw/zinc/79/62/95/469796295.db2.gz FRHTZDTUTJDJEG-LJQANCHMSA-N 2 2 347.503 2.194 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc([C@@H]2CCCOC2)c1 ZINC000617765543 469796299 /nfs/dbraw/zinc/79/62/99/469796299.db2.gz FRHTZDTUTJDJEG-LJQANCHMSA-N 2 2 347.503 2.194 10 0 EEAELP c1[nH+]cn2c1c(N1CC[NH+](C3CCOCC3)CC1)nc1ccccc12 ZINC000624017068 469817931 /nfs/dbraw/zinc/81/79/31/469817931.db2.gz NWTDUPRUANIPIH-UHFFFAOYSA-N 2 2 337.427 2.184 10 0 EEAELP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)n1cccn1 ZINC000624045367 469824876 /nfs/dbraw/zinc/82/48/76/469824876.db2.gz GMKLANNGXXMLDQ-LSDHHAIUSA-N 2 2 346.397 2.220 10 0 EEAELP C[C@@H](NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)c1[nH+]ccn1C ZINC000620606284 469873344 /nfs/dbraw/zinc/87/33/44/469873344.db2.gz PCBIKONRPGJUKT-SNVBAGLBSA-N 2 2 346.341 2.429 10 0 EEAELP C[C@H]1c2ccccc2CN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621422092 470045849 /nfs/dbraw/zinc/04/58/49/470045849.db2.gz DUYPBABJPMIPQC-RDJZCZTQSA-N 2 2 342.487 2.441 10 0 EEAELP C[C@H]1c2ccccc2CN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621422092 470045850 /nfs/dbraw/zinc/04/58/50/470045850.db2.gz DUYPBABJPMIPQC-RDJZCZTQSA-N 2 2 342.487 2.441 10 0 EEAELP COc1cncc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)n1 ZINC000625413843 470139106 /nfs/dbraw/zinc/13/91/06/470139106.db2.gz HTVWHABVYKWPJS-UHFFFAOYSA-N 2 2 335.411 2.356 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(OC(F)F)cc1 ZINC000631885435 470189213 /nfs/dbraw/zinc/18/92/13/470189213.db2.gz AFGYSANIJXVYTB-DOMZBBRYSA-N 2 2 339.386 2.300 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(OC(F)F)cc1 ZINC000631885435 470189214 /nfs/dbraw/zinc/18/92/14/470189214.db2.gz AFGYSANIJXVYTB-DOMZBBRYSA-N 2 2 339.386 2.300 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631889869 470189771 /nfs/dbraw/zinc/18/97/71/470189771.db2.gz KMTQSTJNWPDZBI-FUHWJXTLSA-N 2 2 336.501 2.233 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631889869 470189772 /nfs/dbraw/zinc/18/97/72/470189772.db2.gz KMTQSTJNWPDZBI-FUHWJXTLSA-N 2 2 336.501 2.233 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000648830951 470362465 /nfs/dbraw/zinc/36/24/65/470362465.db2.gz HHFKMIWDKLTPDP-INIZCTEOSA-N 2 2 341.459 2.449 10 0 EEAELP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645667257 470375820 /nfs/dbraw/zinc/37/58/20/470375820.db2.gz YJSGFWSEVMOOTB-UKRRQHHQSA-N 2 2 346.466 2.088 10 0 EEAELP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645667257 470375824 /nfs/dbraw/zinc/37/58/24/470375824.db2.gz YJSGFWSEVMOOTB-UKRRQHHQSA-N 2 2 346.466 2.088 10 0 EEAELP C[C@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000634999627 470396719 /nfs/dbraw/zinc/39/67/19/470396719.db2.gz XCGHCXNFCNTHCQ-GXFFZTMASA-N 2 2 325.250 2.411 10 0 EEAELP C[C@H]1C[N@@H+](Cc2cc(Br)cc3c2OCC3)C[C@H]1C[NH3+] ZINC000634999627 470396722 /nfs/dbraw/zinc/39/67/22/470396722.db2.gz XCGHCXNFCNTHCQ-GXFFZTMASA-N 2 2 325.250 2.411 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000635254914 470501395 /nfs/dbraw/zinc/50/13/95/470501395.db2.gz LEVOPUIDQOYCSM-IACUBPJLSA-N 2 2 330.457 2.138 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+]1CCc2sccc2C1 ZINC000635254914 470501401 /nfs/dbraw/zinc/50/14/01/470501401.db2.gz LEVOPUIDQOYCSM-IACUBPJLSA-N 2 2 330.457 2.138 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000635254914 470501407 /nfs/dbraw/zinc/50/14/07/470501407.db2.gz LEVOPUIDQOYCSM-IACUBPJLSA-N 2 2 330.457 2.138 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000635254914 470501409 /nfs/dbraw/zinc/50/14/09/470501409.db2.gz LEVOPUIDQOYCSM-IACUBPJLSA-N 2 2 330.457 2.138 10 0 EEAELP C[C@@H](C(=O)NCCC1=CCCCC1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103578 470527876 /nfs/dbraw/zinc/52/78/76/470527876.db2.gz JWMAGYDZFLOCLX-KRWDZBQOSA-N 2 2 349.519 2.178 10 0 EEAELP C[C@@H](C(=O)NCCC1=CCCCC1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103578 470527882 /nfs/dbraw/zinc/52/78/82/470527882.db2.gz JWMAGYDZFLOCLX-KRWDZBQOSA-N 2 2 349.519 2.178 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000649393386 470572522 /nfs/dbraw/zinc/57/25/22/470572522.db2.gz DCQZODVMGDHHNA-HIFRSBDPSA-N 2 2 329.435 2.226 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000649393386 470572524 /nfs/dbraw/zinc/57/25/24/470572524.db2.gz DCQZODVMGDHHNA-HIFRSBDPSA-N 2 2 329.435 2.226 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646378868 470621604 /nfs/dbraw/zinc/62/16/04/470621604.db2.gz LYGDNHCRWLPRTM-HZPDHXFCSA-N 2 2 339.443 2.119 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C)cn3)C2)CC1 ZINC000643335652 470667719 /nfs/dbraw/zinc/66/77/19/470667719.db2.gz YDHOIYVUMKMLNZ-MRXNPFEDSA-N 2 2 344.503 2.277 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C)cn3)C2)CC1 ZINC000643335652 470667723 /nfs/dbraw/zinc/66/77/23/470667723.db2.gz YDHOIYVUMKMLNZ-MRXNPFEDSA-N 2 2 344.503 2.277 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000643375280 470679010 /nfs/dbraw/zinc/67/90/10/470679010.db2.gz ZLEFUXXTNKGPCY-WDSOQIARSA-N 2 2 327.472 2.204 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000643375280 470679017 /nfs/dbraw/zinc/67/90/17/470679017.db2.gz ZLEFUXXTNKGPCY-WDSOQIARSA-N 2 2 327.472 2.204 10 0 EEAELP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480975 470911394 /nfs/dbraw/zinc/91/13/94/470911394.db2.gz KQDRAQHKSKBDHR-HZPDHXFCSA-N 2 2 332.444 2.430 10 0 EEAELP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480975 470911399 /nfs/dbraw/zinc/91/13/99/470911399.db2.gz KQDRAQHKSKBDHR-HZPDHXFCSA-N 2 2 332.444 2.430 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000651193090 471084908 /nfs/dbraw/zinc/08/49/08/471084908.db2.gz KTDSLZMWRFAYAX-IAGOWNOFSA-N 2 2 335.496 2.454 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000651193090 471084911 /nfs/dbraw/zinc/08/49/11/471084911.db2.gz KTDSLZMWRFAYAX-IAGOWNOFSA-N 2 2 335.496 2.454 10 0 EEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654665901 471119901 /nfs/dbraw/zinc/11/99/01/471119901.db2.gz QUNWEIOIJCRKIX-XHSDSOJGSA-N 2 2 333.480 2.480 10 0 EEAELP Nc1nc(N2CC[NH+](Cc3cccs3)CC2)c2c([nH+]1)CCCC2 ZINC000645099377 471136383 /nfs/dbraw/zinc/13/63/83/471136383.db2.gz ZTCNFHAHXCZZCA-UHFFFAOYSA-N 2 2 329.473 2.321 10 0 EEAELP CCCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000645254588 471192342 /nfs/dbraw/zinc/19/23/42/471192342.db2.gz GBCKOKPUTXIKJJ-LBPRGKRZSA-N 2 2 347.385 2.071 10 0 EEAELP CCCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000645254588 471192347 /nfs/dbraw/zinc/19/23/47/471192347.db2.gz GBCKOKPUTXIKJJ-LBPRGKRZSA-N 2 2 347.385 2.071 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000652358163 471278743 /nfs/dbraw/zinc/27/87/43/471278743.db2.gz HSIDUUBZGCLPIV-IDHHARJASA-N 2 2 341.455 2.462 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000652358163 471278746 /nfs/dbraw/zinc/27/87/46/471278746.db2.gz HSIDUUBZGCLPIV-IDHHARJASA-N 2 2 341.455 2.462 10 0 EEAELP CC[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370579 471280810 /nfs/dbraw/zinc/28/08/10/471280810.db2.gz DZLPIDMLYNDHQG-BBWFWOEESA-N 2 2 336.524 2.375 10 0 EEAELP CC[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000652370579 471280812 /nfs/dbraw/zinc/28/08/12/471280812.db2.gz DZLPIDMLYNDHQG-BBWFWOEESA-N 2 2 336.524 2.375 10 0 EEAELP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000658341946 471290387 /nfs/dbraw/zinc/29/03/87/471290387.db2.gz KYXJBOGICHOWFM-PXNSSMCTSA-N 2 2 341.503 2.370 10 0 EEAELP CCn1cc([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000658341946 471290388 /nfs/dbraw/zinc/29/03/88/471290388.db2.gz KYXJBOGICHOWFM-PXNSSMCTSA-N 2 2 341.503 2.370 10 0 EEAELP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341922 471290475 /nfs/dbraw/zinc/29/04/75/471290475.db2.gz KPRUNRRUHVXTCO-QFBILLFUSA-N 2 2 341.503 2.195 10 0 EEAELP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341922 471290477 /nfs/dbraw/zinc/29/04/77/471290477.db2.gz KPRUNRRUHVXTCO-QFBILLFUSA-N 2 2 341.503 2.195 10 0 EEAELP COC1([C@H](C)[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CCC1 ZINC000658342198 471290642 /nfs/dbraw/zinc/29/06/42/471290642.db2.gz LRPQOHOJEAYRHQ-HKUYNNGSSA-N 2 2 331.504 2.350 10 0 EEAELP COC1([C@H](C)[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC1 ZINC000658342198 471290644 /nfs/dbraw/zinc/29/06/44/471290644.db2.gz LRPQOHOJEAYRHQ-HKUYNNGSSA-N 2 2 331.504 2.350 10 0 EEAELP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666225985 471322877 /nfs/dbraw/zinc/32/28/77/471322877.db2.gz KHDWNASQSLMBKY-INIZCTEOSA-N 2 2 338.455 2.079 10 0 EEAELP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666225985 471322882 /nfs/dbraw/zinc/32/28/82/471322882.db2.gz KHDWNASQSLMBKY-INIZCTEOSA-N 2 2 338.455 2.079 10 0 EEAELP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666225985 471322887 /nfs/dbraw/zinc/32/28/87/471322887.db2.gz KHDWNASQSLMBKY-INIZCTEOSA-N 2 2 338.455 2.079 10 0 EEAELP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666225985 471322891 /nfs/dbraw/zinc/32/28/91/471322891.db2.gz KHDWNASQSLMBKY-INIZCTEOSA-N 2 2 338.455 2.079 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669024372 471354116 /nfs/dbraw/zinc/35/41/16/471354116.db2.gz BYGSYXQNHHIQTA-YRGRVCCFSA-N 2 2 347.850 2.175 10 0 EEAELP CO[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCOC1 ZINC000660481439 471361122 /nfs/dbraw/zinc/36/11/22/471361122.db2.gz NVSYZGYDVZCTHC-LZLYRXPVSA-N 2 2 333.476 2.450 10 0 EEAELP CO[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCOC1 ZINC000660481439 471361126 /nfs/dbraw/zinc/36/11/26/471361126.db2.gz NVSYZGYDVZCTHC-LZLYRXPVSA-N 2 2 333.476 2.450 10 0 EEAELP CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000663534458 471415553 /nfs/dbraw/zinc/41/55/53/471415553.db2.gz NCHRTLYDASTCGC-GOSISDBHSA-N 2 2 341.459 2.167 10 0 EEAELP CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000663534458 471415557 /nfs/dbraw/zinc/41/55/57/471415557.db2.gz NCHRTLYDASTCGC-GOSISDBHSA-N 2 2 341.459 2.167 10 0 EEAELP CN(CC(C)(C)[NH3+])C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000658980228 471456064 /nfs/dbraw/zinc/45/60/64/471456064.db2.gz FNOWDDGOYGQGFY-UHFFFAOYSA-N 2 2 325.482 2.330 10 0 EEAELP CC[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1nc(C)cs1 ZINC000664007634 471606510 /nfs/dbraw/zinc/60/65/10/471606510.db2.gz CEORHMRPXNTHHT-AWEZNQCLSA-N 2 2 341.525 2.085 10 0 EEAELP CC[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1nc(C)cs1 ZINC000664007634 471606513 /nfs/dbraw/zinc/60/65/13/471606513.db2.gz CEORHMRPXNTHHT-AWEZNQCLSA-N 2 2 341.525 2.085 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc(C2CC2)cs1 ZINC000664329873 471721359 /nfs/dbraw/zinc/72/13/59/471721359.db2.gz GKTXWPMAWPBIGI-UHFFFAOYSA-N 2 2 325.482 2.026 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc(C2CC2)cs1 ZINC000664329873 471721363 /nfs/dbraw/zinc/72/13/63/471721363.db2.gz GKTXWPMAWPBIGI-UHFFFAOYSA-N 2 2 325.482 2.026 10 0 EEAELP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccncc1 ZINC000664833932 471875502 /nfs/dbraw/zinc/87/55/02/471875502.db2.gz OUQQCJGCCNFBSJ-LJQANCHMSA-N 2 2 342.487 2.208 10 0 EEAELP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1c1ccncc1 ZINC000664833932 471875507 /nfs/dbraw/zinc/87/55/07/471875507.db2.gz OUQQCJGCCNFBSJ-LJQANCHMSA-N 2 2 342.487 2.208 10 0 EEAELP Cc1cc2cc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2[nH]1 ZINC000664893412 471890785 /nfs/dbraw/zinc/89/07/85/471890785.db2.gz ZALUJAABIHRCIG-UHFFFAOYSA-N 2 2 345.491 2.159 10 0 EEAELP Cc1cc2cc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2[nH]1 ZINC000664893412 471890789 /nfs/dbraw/zinc/89/07/89/471890789.db2.gz ZALUJAABIHRCIG-UHFFFAOYSA-N 2 2 345.491 2.159 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662046753 471968629 /nfs/dbraw/zinc/96/86/29/471968629.db2.gz NPMTWIFWOJEVPQ-GOSISDBHSA-N 2 2 329.444 2.347 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662046753 471968632 /nfs/dbraw/zinc/96/86/32/471968632.db2.gz NPMTWIFWOJEVPQ-GOSISDBHSA-N 2 2 329.444 2.347 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2cnccn2)cc1F ZINC000665259595 471982752 /nfs/dbraw/zinc/98/27/52/471982752.db2.gz JSKQEXLAWIKROE-OWQGQXMQSA-N 2 2 344.434 2.291 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276373 472053350 /nfs/dbraw/zinc/05/33/50/472053350.db2.gz IESCPKSPFNNANJ-MAUKXSAKSA-N 2 2 333.451 2.025 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)CCO1 ZINC000662319106 472069085 /nfs/dbraw/zinc/06/90/85/472069085.db2.gz DLSZBTKBJVHBIT-OALUTQOASA-N 2 2 345.487 2.225 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)CCO1 ZINC000662319106 472069089 /nfs/dbraw/zinc/06/90/89/472069089.db2.gz DLSZBTKBJVHBIT-OALUTQOASA-N 2 2 345.487 2.225 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662322675 472069659 /nfs/dbraw/zinc/06/96/59/472069659.db2.gz SMSGYUUTFMCSHG-VXGBXAGGSA-N 2 2 329.803 2.048 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662322675 472069661 /nfs/dbraw/zinc/06/96/61/472069661.db2.gz SMSGYUUTFMCSHG-VXGBXAGGSA-N 2 2 329.803 2.048 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)C1 ZINC000668740050 472247020 /nfs/dbraw/zinc/24/70/20/472247020.db2.gz FZKRSURBVDJWHR-OAHLLOKOSA-N 2 2 344.484 2.236 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)C1 ZINC000668740050 472247025 /nfs/dbraw/zinc/24/70/25/472247025.db2.gz FZKRSURBVDJWHR-OAHLLOKOSA-N 2 2 344.484 2.236 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000662797539 472255724 /nfs/dbraw/zinc/25/57/24/472255724.db2.gz LFUWPQHKCYVWNB-ARFHVFGLSA-N 2 2 337.414 2.214 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000662797539 472255730 /nfs/dbraw/zinc/25/57/30/472255730.db2.gz LFUWPQHKCYVWNB-ARFHVFGLSA-N 2 2 337.414 2.214 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662799241 472257069 /nfs/dbraw/zinc/25/70/69/472257069.db2.gz VQGHNQBJPKKBKA-APYUEPQZSA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662799241 472257073 /nfs/dbraw/zinc/25/70/73/472257073.db2.gz VQGHNQBJPKKBKA-APYUEPQZSA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662799242 472257240 /nfs/dbraw/zinc/25/72/40/472257240.db2.gz VQGHNQBJPKKBKA-BHTHQVBYSA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662799242 472257245 /nfs/dbraw/zinc/25/72/45/472257245.db2.gz VQGHNQBJPKKBKA-BHTHQVBYSA-N 2 2 339.842 2.468 10 0 EEAELP Cn1c2ccc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)cc2sc1=O ZINC000668785701 472266478 /nfs/dbraw/zinc/26/64/78/472266478.db2.gz VJUWAYYAAHIADP-OAHLLOKOSA-N 2 2 349.500 2.143 10 0 EEAELP Cn1c2ccc(C[N@H+]3CCO[C@H](CCC[NH+](C)C)C3)cc2sc1=O ZINC000668785701 472266486 /nfs/dbraw/zinc/26/64/86/472266486.db2.gz VJUWAYYAAHIADP-OAHLLOKOSA-N 2 2 349.500 2.143 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862016 485559935 /nfs/dbraw/zinc/55/99/35/485559935.db2.gz RWZSTSUATUTSOB-UHFFFAOYSA-N 2 2 337.387 2.286 10 0 EEAELP C[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(-n2cnnn2)c1 ZINC000675747617 486060457 /nfs/dbraw/zinc/06/04/57/486060457.db2.gz AXZQZYCVZUKNSG-OAHLLOKOSA-N 2 2 349.442 2.377 10 0 EEAELP COCC1([N@H+](C)CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000677726662 486484337 /nfs/dbraw/zinc/48/43/37/486484337.db2.gz OJKJTAZTMAJUEM-QGZVFWFLSA-N 2 2 345.487 2.003 10 0 EEAELP COCC1([N@@H+](C)CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000677726662 486484341 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2.441 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000727108019 576406138 /nfs/dbraw/zinc/40/61/38/576406138.db2.gz RGMYLGYRXYDHGR-UHFFFAOYSA-N 2 2 331.339 2.100 10 0 EEAELP C[C@H]1CC[N@H+](Cn2c3ccccc3n(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000759151978 577638054 /nfs/dbraw/zinc/63/80/54/577638054.db2.gz WCWDLFHOECQFGS-WMLDXEAASA-N 2 2 325.416 2.077 10 0 EEAELP C[C@H]1CC[N@@H+](Cn2c3ccccc3n(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000759151978 577638055 /nfs/dbraw/zinc/63/80/55/577638055.db2.gz WCWDLFHOECQFGS-WMLDXEAASA-N 2 2 325.416 2.077 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000745984336 577921064 /nfs/dbraw/zinc/92/10/64/577921064.db2.gz JTXXHTJKOORWFV-MRXNPFEDSA-N 2 2 331.416 2.340 10 0 EEAELP COC(=O)[C@H]1[C@@H](CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1(F)F ZINC000895114205 683951741 /nfs/dbraw/zinc/95/17/41/683951741.db2.gz ZHLZSDWLAUOUMI-RGCMKSIDSA-N 2 2 339.386 2.212 10 0 EEAELP O=S(=O)(CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 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YWLAPLKJMPNAND-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482340502 1185439880 /nfs/dbraw/zinc/43/98/80/1185439880.db2.gz HUYRNKASFPEBDH-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482340502 1185439884 /nfs/dbraw/zinc/43/98/84/1185439884.db2.gz HUYRNKASFPEBDH-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1OC1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482346544 1185468349 /nfs/dbraw/zinc/46/83/49/1185468349.db2.gz DJMRJYNHCICUIN-AWEZNQCLSA-N 2 2 342.443 2.130 10 0 EEAELP C[C@H](C[NH2+]CCc1ccns1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271035760 1185832984 /nfs/dbraw/zinc/83/29/84/1185832984.db2.gz ODYZLTNUOWDPEM-CYBMUJFWSA-N 2 2 343.456 2.084 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001482451293 1185843167 /nfs/dbraw/zinc/84/31/67/1185843167.db2.gz UICCJEFCMODVTE-GOSISDBHSA-N 2 2 341.459 2.298 10 0 EEAELP 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ZINC001482536680 1186581450 /nfs/dbraw/zinc/58/14/50/1186581450.db2.gz YOIGGKSGNZTXQX-BRWVUGGUSA-N 2 2 341.459 2.147 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001482570374 1186905610 /nfs/dbraw/zinc/90/56/10/1186905610.db2.gz CVPNQYQYBLMWDZ-ZIAGYGMSSA-N 2 2 328.407 2.049 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)CC1 ZINC001272769446 1193489502 /nfs/dbraw/zinc/48/95/02/1193489502.db2.gz CNKDPZICFXGTBP-JOCQHMNTSA-N 2 2 346.397 2.180 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C\CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001483031449 1188051564 /nfs/dbraw/zinc/05/15/64/1188051564.db2.gz YJBARBPIRHMQLU-QGZUEGPWSA-N 2 2 330.476 2.144 10 0 EEAELP Cc1csc(C[NH2+]C/C=C\CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001483064545 1188385077 /nfs/dbraw/zinc/38/50/77/1188385077.db2.gz COXNJRCFLIHZMM-VQTKUKTRSA-N 2 2 333.461 2.061 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001272872870 1193586750 /nfs/dbraw/zinc/58/67/50/1193586750.db2.gz DNIJMLDYNLEXOV-DOTOQJQBSA-N 2 2 326.444 2.130 10 0 EEAELP C[C@H](C[NH2+]Cc1ncc(C2CC2)o1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483172615 1189024477 /nfs/dbraw/zinc/02/44/77/1189024477.db2.gz UELBGFSRDXBOBH-CABCVRRESA-N 2 2 348.491 2.411 10 0 EEAELP CCc1ccccc1CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001409428809 1189664093 /nfs/dbraw/zinc/66/40/93/1189664093.db2.gz ZCYXCIGWCDFXOZ-HZPDHXFCSA-N 2 2 342.487 2.251 10 0 EEAELP CCc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001485907847 1193636007 /nfs/dbraw/zinc/63/60/07/1193636007.db2.gz GESNXTUDYFIKKM-AWEZNQCLSA-N 2 2 336.480 2.048 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001483238453 1190227881 /nfs/dbraw/zinc/22/78/81/1190227881.db2.gz CFLOMKPGWVQUBD-WMLDXEAASA-N 2 2 347.438 2.299 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCc2c1c(F)ccc2F)NC(=O)Cc1c[nH+]cn1C ZINC001483282846 1190306241 /nfs/dbraw/zinc/30/62/41/1190306241.db2.gz CSYFTIMETDNRRK-ZBEGNZNMSA-N 2 2 348.397 2.023 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)C1CC1 ZINC001483597131 1190581853 /nfs/dbraw/zinc/58/18/53/1190581853.db2.gz VRJLCEVCCBMHCP-ZIAGYGMSSA-N 2 2 340.418 2.262 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCn1cc[nH+]c1 ZINC001486117661 1193686821 /nfs/dbraw/zinc/68/68/21/1193686821.db2.gz LRVVDPOAAWGJCR-WMZOPIPTSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001483655315 1190711884 /nfs/dbraw/zinc/71/18/84/1190711884.db2.gz MVOWTTDJOQKJLQ-MRXNPFEDSA-N 2 2 333.451 2.309 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001483655315 1190711886 /nfs/dbraw/zinc/71/18/86/1190711886.db2.gz MVOWTTDJOQKJLQ-MRXNPFEDSA-N 2 2 333.451 2.309 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](CC[NH2+]Cc2ccon2)C1 ZINC001272475289 1190840722 /nfs/dbraw/zinc/84/07/22/1190840722.db2.gz OBWIHIQKGDOHJH-ZDUSSCGKSA-N 2 2 339.399 2.193 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001272598218 1190913401 /nfs/dbraw/zinc/91/34/01/1190913401.db2.gz BIADTIUSCCSSEL-INIZCTEOSA-N 2 2 326.444 2.289 10 0 EEAELP CN(C(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001483869449 1191101249 /nfs/dbraw/zinc/10/12/49/1191101249.db2.gz XKISGBLPFHZFEA-UHFFFAOYSA-N 2 2 335.414 2.346 10 0 EEAELP CN(C(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001483869449 1191101251 /nfs/dbraw/zinc/10/12/51/1191101251.db2.gz XKISGBLPFHZFEA-UHFFFAOYSA-N 2 2 335.414 2.346 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001484075068 1191198540 /nfs/dbraw/zinc/19/85/40/1191198540.db2.gz VMXXKGIIEOIOIA-IBGZPJMESA-N 2 2 337.427 2.145 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001484075068 1191198542 /nfs/dbraw/zinc/19/85/42/1191198542.db2.gz VMXXKGIIEOIOIA-IBGZPJMESA-N 2 2 337.427 2.145 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001484121859 1191221598 /nfs/dbraw/zinc/22/15/98/1191221598.db2.gz KIGGJWREECOANY-IBGZPJMESA-N 2 2 330.476 2.291 10 0 EEAELP CC[C@H](F)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001484184926 1191263889 /nfs/dbraw/zinc/26/38/89/1191263889.db2.gz CQZQWSNCRXIXIV-AWEZNQCLSA-N 2 2 348.422 2.180 10 0 EEAELP Cc1conc1C[N@@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001484729483 1191488308 /nfs/dbraw/zinc/48/83/08/1191488308.db2.gz OJJLDURGFFZJKY-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1conc1C[N@H+]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001484729483 1191488310 /nfs/dbraw/zinc/48/83/10/1191488310.db2.gz OJJLDURGFFZJKY-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001485104096 1191652837 /nfs/dbraw/zinc/65/28/37/1191652837.db2.gz VGDCTRASUGMPLU-KTAKPFMOSA-N 2 2 344.434 2.412 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001485104096 1191652838 /nfs/dbraw/zinc/65/28/38/1191652838.db2.gz VGDCTRASUGMPLU-KTAKPFMOSA-N 2 2 344.434 2.412 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1CC(C[NH2+]CCCCC(F)(F)F)C1 ZINC001485107252 1191656469 /nfs/dbraw/zinc/65/64/69/1191656469.db2.gz KPCQKVLEVYQVMH-UHFFFAOYSA-N 2 2 346.397 2.180 10 0 EEAELP Cc1nc(CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001485360613 1191753412 /nfs/dbraw/zinc/75/34/12/1191753412.db2.gz PFUMMWSNKHMUQO-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001485360613 1191753413 /nfs/dbraw/zinc/75/34/13/1191753413.db2.gz PFUMMWSNKHMUQO-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP CCOCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001486207425 1193720627 /nfs/dbraw/zinc/72/06/27/1193720627.db2.gz RCMKWNDEEHCMDV-ZBFHGGJFSA-N 2 2 344.459 2.478 10 0 EEAELP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486370923 1193874743 /nfs/dbraw/zinc/87/47/43/1193874743.db2.gz CYLUWIDMEVHSMF-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC1CCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486370923 1193874745 /nfs/dbraw/zinc/87/47/45/1193874745.db2.gz CYLUWIDMEVHSMF-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001486413346 1193922158 /nfs/dbraw/zinc/92/21/58/1193922158.db2.gz FXGVEWMXJOVDSP-HOTGVXAUSA-N 2 2 336.480 2.032 10 0 EEAELP Cc1cncc(C[NH+]2CCC([C@@H](C)NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001486441365 1193969189 /nfs/dbraw/zinc/96/91/89/1193969189.db2.gz POBXHPPKNJHMHV-OAHLLOKOSA-N 2 2 341.459 2.073 10 0 EEAELP CCc1ccccc1C[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001486516192 1194021563 /nfs/dbraw/zinc/02/15/63/1194021563.db2.gz BWNCVKNEAJCZQB-UHFFFAOYSA-N 2 2 338.455 2.463 10 0 EEAELP CCc1ccccc1C[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001486516192 1194021566 /nfs/dbraw/zinc/02/15/66/1194021566.db2.gz BWNCVKNEAJCZQB-UHFFFAOYSA-N 2 2 338.455 2.463 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)sc1C ZINC001273067326 1194365551 /nfs/dbraw/zinc/36/55/51/1194365551.db2.gz PDRAHOALBFAJIL-NWDGAFQWSA-N 2 2 349.504 2.346 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)sc1C ZINC001273067326 1194365554 /nfs/dbraw/zinc/36/55/54/1194365554.db2.gz PDRAHOALBFAJIL-NWDGAFQWSA-N 2 2 349.504 2.346 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001273291836 1197962001 /nfs/dbraw/zinc/96/20/01/1197962001.db2.gz HCJPJKUNWHKPKA-SFHVURJKSA-N 2 2 342.443 2.103 10 0 EEAELP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000872020543 1198028640 /nfs/dbraw/zinc/02/86/40/1198028640.db2.gz IDBSNYDTXAJXOW-AQNXPRMDSA-N 2 2 332.488 2.200 10 0 EEAELP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000872020543 1198028645 /nfs/dbraw/zinc/02/86/45/1198028645.db2.gz IDBSNYDTXAJXOW-AQNXPRMDSA-N 2 2 332.488 2.200 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147219 1198054859 /nfs/dbraw/zinc/05/48/59/1198054859.db2.gz GESYEQQTOZQVAZ-BPLDGKMQSA-N 2 2 343.393 2.103 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147219 1198054866 /nfs/dbraw/zinc/05/48/66/1198054866.db2.gz GESYEQQTOZQVAZ-BPLDGKMQSA-N 2 2 343.393 2.103 10 0 EEAELP CN1Cc2ccccc2[C@@H]1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872236175 1198104043 /nfs/dbraw/zinc/10/40/43/1198104043.db2.gz OCOPMIYCFCYCFX-FPOVZHCZSA-N 2 2 339.483 2.256 10 0 EEAELP CN1Cc2ccccc2[C@@H]1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000872236175 1198104047 /nfs/dbraw/zinc/10/40/47/1198104047.db2.gz OCOPMIYCFCYCFX-FPOVZHCZSA-N 2 2 339.483 2.256 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291916 1198132049 /nfs/dbraw/zinc/13/20/49/1198132049.db2.gz VTESYLKBWVZXRJ-OAHLLOKOSA-N 2 2 343.512 2.020 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291916 1198132051 /nfs/dbraw/zinc/13/20/51/1198132051.db2.gz VTESYLKBWVZXRJ-OAHLLOKOSA-N 2 2 343.512 2.020 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291916 1198132054 /nfs/dbraw/zinc/13/20/54/1198132054.db2.gz VTESYLKBWVZXRJ-OAHLLOKOSA-N 2 2 343.512 2.020 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291916 1198132056 /nfs/dbraw/zinc/13/20/56/1198132056.db2.gz VTESYLKBWVZXRJ-OAHLLOKOSA-N 2 2 343.512 2.020 10 0 EEAELP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC000865455498 1198226892 /nfs/dbraw/zinc/22/68/92/1198226892.db2.gz ASGRPDNCIWJOBU-CYBMUJFWSA-N 2 2 335.452 2.255 10 0 EEAELP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC000865455498 1198226898 /nfs/dbraw/zinc/22/68/98/1198226898.db2.gz ASGRPDNCIWJOBU-CYBMUJFWSA-N 2 2 335.452 2.255 10 0 EEAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659316 1198320847 /nfs/dbraw/zinc/32/08/47/1198320847.db2.gz LUBUYFHGBWCAKT-YTQUADARSA-N 2 2 331.504 2.257 10 0 EEAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659316 1198320853 /nfs/dbraw/zinc/32/08/53/1198320853.db2.gz LUBUYFHGBWCAKT-YTQUADARSA-N 2 2 331.504 2.257 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000865659316 1198320856 /nfs/dbraw/zinc/32/08/56/1198320856.db2.gz LUBUYFHGBWCAKT-YTQUADARSA-N 2 2 331.504 2.257 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000865659316 1198320864 /nfs/dbraw/zinc/32/08/64/1198320864.db2.gz LUBUYFHGBWCAKT-YTQUADARSA-N 2 2 331.504 2.257 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c(-c2cnn(C)c2)c1 ZINC000865659697 1198320900 /nfs/dbraw/zinc/32/09/00/1198320900.db2.gz MFRSUNJXRLAXJH-SFHVURJKSA-N 2 2 342.487 2.330 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c(-c2cnn(C)c2)c1 ZINC000865659697 1198320907 /nfs/dbraw/zinc/32/09/07/1198320907.db2.gz MFRSUNJXRLAXJH-SFHVURJKSA-N 2 2 342.487 2.330 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000810252587 1199404777 /nfs/dbraw/zinc/40/47/77/1199404777.db2.gz GVPQLUFLJDLEBJ-VPWXQRGCSA-N 2 2 340.471 2.146 10 0 EEAELP Cc1[nH+]ccn1-c1ncccc1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000825906385 1199764990 /nfs/dbraw/zinc/76/49/90/1199764990.db2.gz CYHODDTVXVPQST-UHFFFAOYSA-N 2 2 335.415 2.439 10 0 EEAELP COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC000869759340 1200260539 /nfs/dbraw/zinc/26/05/39/1200260539.db2.gz JAOGAMIZMOLHTG-UHFFFAOYSA-N 2 2 344.459 2.073 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000867998872 1201722933 /nfs/dbraw/zinc/72/29/33/1201722933.db2.gz KIMMTRYIKUHLOF-MSOLQXFVSA-N 2 2 327.403 2.171 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000867998872 1201722935 /nfs/dbraw/zinc/72/29/35/1201722935.db2.gz KIMMTRYIKUHLOF-MSOLQXFVSA-N 2 2 327.403 2.171 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274624886 1205103608 /nfs/dbraw/zinc/10/36/08/1205103608.db2.gz SSJBSIHPKYVNBM-HZPDHXFCSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274624886 1205103609 /nfs/dbraw/zinc/10/36/09/1205103609.db2.gz SSJBSIHPKYVNBM-HZPDHXFCSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274624886 1205103610 /nfs/dbraw/zinc/10/36/10/1205103610.db2.gz SSJBSIHPKYVNBM-HZPDHXFCSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274624886 1205103611 /nfs/dbraw/zinc/10/36/11/1205103611.db2.gz SSJBSIHPKYVNBM-HZPDHXFCSA-N 2 2 336.480 2.127 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001274804169 1205169627 /nfs/dbraw/zinc/16/96/27/1205169627.db2.gz RAFYKFCTONOUTA-CXOKCQFOSA-N 2 2 339.439 2.440 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)sn1 ZINC001275449591 1205366014 /nfs/dbraw/zinc/36/60/14/1205366014.db2.gz AKZKXIILSOXXOZ-CHWSQXEVSA-N 2 2 343.456 2.396 10 0 EEAELP O=C(NCc1[nH]c2c([nH+]1)CCCC2)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC001412678430 1205824043 /nfs/dbraw/zinc/82/40/43/1205824043.db2.gz NFIXRPUXAXFSHE-CQSZACIVSA-N 2 2 348.516 2.122 10 0 EEAELP COc1ccc([C@H](C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)N(C)C)cc1OC ZINC000925623802 1206136938 /nfs/dbraw/zinc/13/69/38/1206136938.db2.gz XBAQQYAUVHKEFR-WBAXXEDZSA-N 2 2 333.476 2.166 10 0 EEAELP Cc1ccc2cccc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)c2n1 ZINC000926024681 1206182738 /nfs/dbraw/zinc/18/27/38/1206182738.db2.gz CWMFQFKFEOGFDE-UHFFFAOYSA-N 2 2 327.432 2.088 10 0 EEAELP Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)c(N(C)C)[nH+]1 ZINC000926076314 1206188592 /nfs/dbraw/zinc/18/85/92/1206188592.db2.gz GUJAWTRVKIGBCR-WDEREUQCSA-N 2 2 345.369 2.199 10 0 EEAELP CC[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754075 1206498212 /nfs/dbraw/zinc/49/82/12/1206498212.db2.gz IQFAMGCAKUCIJD-CEXWTWQISA-N 2 2 345.487 2.424 10 0 EEAELP CC[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754075 1206498213 /nfs/dbraw/zinc/49/82/13/1206498213.db2.gz IQFAMGCAKUCIJD-CEXWTWQISA-N 2 2 345.487 2.424 10 0 EEAELP CC[N@H+](CCO[C@@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929753873 1206498533 /nfs/dbraw/zinc/49/85/33/1206498533.db2.gz HFNPTLFGHLQHRV-GOSISDBHSA-N 2 2 333.476 2.425 10 0 EEAELP CC[N@@H+](CCO[C@@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929753873 1206498534 /nfs/dbraw/zinc/49/85/34/1206498534.db2.gz HFNPTLFGHLQHRV-GOSISDBHSA-N 2 2 333.476 2.425 10 0 EEAELP CCOC(=O)c1c[nH]nc1[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000931010857 1206599642 /nfs/dbraw/zinc/59/96/42/1206599642.db2.gz TXHRNNMHOIJBED-HNNXBMFYSA-N 2 2 334.464 2.252 10 0 EEAELP CCOC(=O)c1c[nH]nc1[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000931010857 1206599643 /nfs/dbraw/zinc/59/96/43/1206599643.db2.gz TXHRNNMHOIJBED-HNNXBMFYSA-N 2 2 334.464 2.252 10 0 EEAELP O=[S@](CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000931708217 1207445917 /nfs/dbraw/zinc/44/59/17/1207445917.db2.gz YISYQVFQRLZHTN-WHEQGISXSA-N 2 2 331.363 2.483 10 0 EEAELP Cc1[nH]c(C2CC[NH+](CC(=O)N3C[C@@H](C)OC(C)(C)C3)CC2)[nH+]c1C ZINC000931748817 1207456085 /nfs/dbraw/zinc/45/60/85/1207456085.db2.gz NVBXUCQXQXVPPK-CYBMUJFWSA-N 2 2 348.491 2.232 10 0 EEAELP CN(CCC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cc[nH+]cc1 ZINC000779486289 1210391429 /nfs/dbraw/zinc/39/14/29/1210391429.db2.gz XLWODKQRYKHMBD-UHFFFAOYSA-N 2 2 335.411 2.410 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001276353783 1213897996 /nfs/dbraw/zinc/89/79/96/1213897996.db2.gz UEQNFSIBBHSSHP-ZDUSSCGKSA-N 2 2 328.407 2.134 10 0 EEAELP C[C@H](CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[N@H+](C)C1CC1 ZINC000900544238 1234463859 /nfs/dbraw/zinc/46/38/59/1234463859.db2.gz RIWNTDBNNNNZPZ-OAHLLOKOSA-N 2 2 341.459 2.208 10 0 EEAELP C[C@H](CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[N@@H+](C)C1CC1 ZINC000900544238 1234463862 /nfs/dbraw/zinc/46/38/62/1234463862.db2.gz RIWNTDBNNNNZPZ-OAHLLOKOSA-N 2 2 341.459 2.208 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1COc2ccccc2C1 ZINC000903053802 1239631317 /nfs/dbraw/zinc/63/13/17/1239631317.db2.gz CPYHJSHIVGFBHJ-IEZWGBDMSA-N 2 2 330.472 2.469 10 0 EEAELP Cn1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C(F)(F)F ZINC000903460589 1240533833 /nfs/dbraw/zinc/53/38/33/1240533833.db2.gz FASIPAJKAVGDAV-BNOWGMLFSA-N 2 2 346.397 2.300 10 0 EEAELP Cn1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C(F)(F)F ZINC000903460589 1240533841 /nfs/dbraw/zinc/53/38/41/1240533841.db2.gz FASIPAJKAVGDAV-BNOWGMLFSA-N 2 2 346.397 2.300 10 0 EEAELP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)N[C@H]1CCCc2ccccc21 ZINC000903469214 1240567974 /nfs/dbraw/zinc/56/79/74/1240567974.db2.gz RQZPPHKLPYNWKW-ROUUACIJSA-N 2 2 327.472 2.445 10 0 EEAELP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955428 1242702973 /nfs/dbraw/zinc/70/29/73/1242702973.db2.gz RMQNBODAKAVTLY-GFCCVEGCSA-N 2 2 330.375 2.047 10 0 EEAELP COCCCOc1cccc(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903975155 1242814584 /nfs/dbraw/zinc/81/45/84/1242814584.db2.gz YHFIOPLCDSCSFB-GOSISDBHSA-N 2 2 348.487 2.350 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001491251959 1258846562 /nfs/dbraw/zinc/84/65/62/1258846562.db2.gz GDOSBFCHNNZYPB-KRWDZBQOSA-N 2 2 331.460 2.404 10 0 EEAELP COCCC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001489233899 1290484143 /nfs/dbraw/zinc/48/41/43/1290484143.db2.gz ODFJLLYRXNBJLM-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[N@@H+](Cc1ccc(Cl)nc1)C1CC1 ZINC001490386127 1291273328 /nfs/dbraw/zinc/27/33/28/1291273328.db2.gz LRVQBFAEALODMJ-UHFFFAOYSA-N 2 2 347.850 2.172 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[N@H+](Cc1ccc(Cl)nc1)C1CC1 ZINC001490386127 1291273336 /nfs/dbraw/zinc/27/33/36/1291273336.db2.gz LRVQBFAEALODMJ-UHFFFAOYSA-N 2 2 347.850 2.172 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760526 1292189588 /nfs/dbraw/zinc/18/95/88/1292189588.db2.gz HMMDSLYCOLUOFK-RHSMWYFYSA-N 2 2 328.403 2.041 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760526 1292189593 /nfs/dbraw/zinc/18/95/93/1292189593.db2.gz HMMDSLYCOLUOFK-RHSMWYFYSA-N 2 2 328.403 2.041 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000855414990 1293209499 /nfs/dbraw/zinc/20/94/99/1293209499.db2.gz PBGYEUNEXSZMSA-VURMDHGXSA-N 2 2 328.460 2.181 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\c1ccc2[nH]ccc2c1 ZINC000855414990 1293209502 /nfs/dbraw/zinc/20/95/02/1293209502.db2.gz PBGYEUNEXSZMSA-VURMDHGXSA-N 2 2 328.460 2.181 10 0 EEAELP Cc1cc2[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2c(C)c1 ZINC000855416161 1293210403 /nfs/dbraw/zinc/21/04/03/1293210403.db2.gz HZXHNJFRBBPIFU-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP Cc1cc2[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2c(C)c1 ZINC000855416161 1293210412 /nfs/dbraw/zinc/21/04/12/1293210412.db2.gz HZXHNJFRBBPIFU-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP Cn1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c(Cl)n1 ZINC000856766204 1293624674 /nfs/dbraw/zinc/62/46/74/1293624674.db2.gz SPDRVNOUGPDQAK-UHFFFAOYSA-N 2 2 347.894 2.111 10 0 EEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862274832 1295779233 /nfs/dbraw/zinc/77/92/33/1295779233.db2.gz HTWQOYJMMLQFKY-CHWSQXEVSA-N 2 2 333.423 2.315 10 0 EEAELP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862274832 1295779246 /nfs/dbraw/zinc/77/92/46/1295779246.db2.gz HTWQOYJMMLQFKY-CHWSQXEVSA-N 2 2 333.423 2.315 10 0 EEAELP CC[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1[NH2+]CCOC ZINC001276737467 1297114118 /nfs/dbraw/zinc/11/41/18/1297114118.db2.gz ADDRNPGJWDSCLJ-NVXWUHKLSA-N 2 2 344.459 2.119 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3CCN(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000931315904 1297133974 /nfs/dbraw/zinc/13/39/74/1297133974.db2.gz DADCRIAULTUNSS-QRQLOZEOSA-N 2 2 331.435 2.205 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3CCN(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000931315904 1297133982 /nfs/dbraw/zinc/13/39/82/1297133982.db2.gz DADCRIAULTUNSS-QRQLOZEOSA-N 2 2 331.435 2.205 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3CCN(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000931315904 1297133989 /nfs/dbraw/zinc/13/39/89/1297133989.db2.gz DADCRIAULTUNSS-QRQLOZEOSA-N 2 2 331.435 2.205 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3CCN(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000931315904 1297133997 /nfs/dbraw/zinc/13/39/97/1297133997.db2.gz DADCRIAULTUNSS-QRQLOZEOSA-N 2 2 331.435 2.205 10 0 EEAELP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1C(F)(F)F ZINC000843061627 1315832744 /nfs/dbraw/zinc/83/27/44/1315832744.db2.gz GVRHADIQMMCIEX-BBRMVZONSA-N 2 2 346.393 2.175 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCCc1ccccc1 ZINC001265792178 1323382659 /nfs/dbraw/zinc/38/26/59/1323382659.db2.gz JDSVIMZIVUQDSY-AEFFLSMTSA-N 2 2 340.471 2.173 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCCC(F)(F)F ZINC001265792986 1323384192 /nfs/dbraw/zinc/38/41/92/1323384192.db2.gz ZDRXWANFVXOHEE-QWHCGFSZSA-N 2 2 346.397 2.272 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1=CCCCC1 ZINC001265878204 1323449810 /nfs/dbraw/zinc/44/98/10/1323449810.db2.gz XKVOSDBQIMSKAB-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1=CCCCC1 ZINC001265878204 1323449815 /nfs/dbraw/zinc/44/98/15/1323449815.db2.gz XKVOSDBQIMSKAB-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP CO[C@@H](C[N@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001265890368 1323459613 /nfs/dbraw/zinc/45/96/13/1323459613.db2.gz QQVGEIPKYJEPKV-KRWDZBQOSA-N 2 2 344.459 2.201 10 0 EEAELP CO[C@@H](C[N@@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001265890368 1323459615 /nfs/dbraw/zinc/45/96/15/1323459615.db2.gz QQVGEIPKYJEPKV-KRWDZBQOSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H](C[NH2+]CC[C@H](C)F)C3)ccn12 ZINC001265976579 1323536552 /nfs/dbraw/zinc/53/65/52/1323536552.db2.gz LYIWGYFZTIHESN-DZGCQCFKSA-N 2 2 332.423 2.443 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)no1 ZINC001282128845 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2 2 348.516 2.264 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001491694504 1330209222 /nfs/dbraw/zinc/20/92/22/1330209222.db2.gz RLXIYDDXKUOTAR-BLLLJJGKSA-N 2 2 332.835 2.318 10 0 EEAELP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCc2ccccc2C1 ZINC001492363757 1331189514 /nfs/dbraw/zinc/18/95/14/1331189514.db2.gz UUHPMSWXZXCXMY-KRWDZBQOSA-N 2 2 340.471 2.126 10 0 EEAELP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCc2ccccc2C1 ZINC001492363757 1331189515 /nfs/dbraw/zinc/18/95/15/1331189515.db2.gz UUHPMSWXZXCXMY-KRWDZBQOSA-N 2 2 340.471 2.126 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+](C)Cc2scnc2C)c[nH+]1 ZINC001316833575 1331365740 /nfs/dbraw/zinc/36/57/40/1331365740.db2.gz DZBXAVHCAMHXEN-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](C)Cc2scnc2C)c[nH+]1 ZINC001316833575 1331365745 /nfs/dbraw/zinc/36/57/45/1331365745.db2.gz DZBXAVHCAMHXEN-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001317393230 1331424166 /nfs/dbraw/zinc/42/41/66/1331424166.db2.gz OXBKKSDEZWBQRW-VXGBXAGGSA-N 2 2 341.393 2.244 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001317393230 1331424167 /nfs/dbraw/zinc/42/41/67/1331424167.db2.gz OXBKKSDEZWBQRW-VXGBXAGGSA-N 2 2 341.393 2.244 10 0 EEAELP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001316771203 1331884454 /nfs/dbraw/zinc/88/44/54/1331884454.db2.gz LGXCGVLQPXKVFI-QGZVFWFLSA-N 2 2 349.475 2.030 10 0 EEAELP CCCCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001317049604 1332060561 /nfs/dbraw/zinc/06/05/61/1332060561.db2.gz SOVFVAWOFSEGDA-OKZBNKHCSA-N 2 2 348.491 2.326 10 0 EEAELP CCCCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001317049604 1332060563 /nfs/dbraw/zinc/06/05/63/1332060563.db2.gz SOVFVAWOFSEGDA-OKZBNKHCSA-N 2 2 348.491 2.326 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001317121445 1332087120 /nfs/dbraw/zinc/08/71/20/1332087120.db2.gz MBSVNKJFKOAALQ-NXHRZFHOSA-N 2 2 348.491 2.278 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001317165910 1332107869 /nfs/dbraw/zinc/10/78/69/1332107869.db2.gz JXFLMIOBKOGOGW-LKJUBWIJSA-N 2 2 338.455 2.425 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001317284938 1332164707 /nfs/dbraw/zinc/16/47/07/1332164707.db2.gz NPRDHUTUIIZXRS-HNNXBMFYSA-N 2 2 328.460 2.296 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317602441 1332320349 /nfs/dbraw/zinc/32/03/49/1332320349.db2.gz YIJLESVDSLKKHG-SFHVURJKSA-N 2 2 340.471 2.126 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)Cn1c(=O)[nH]c2ccccc21 ZINC001318552994 1332559463 /nfs/dbraw/zinc/55/94/63/1332559463.db2.gz LUNNIMMKICVGIF-UHFFFAOYSA-N 2 2 348.366 2.270 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1cccc(Cl)n1 ZINC001319203874 1332664634 /nfs/dbraw/zinc/66/46/34/1332664634.db2.gz ZSYBUMBEZYVGHO-MRVWCRGKSA-N 2 2 347.850 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ZINC001324627261 1333726453 /nfs/dbraw/zinc/72/64/53/1333726453.db2.gz AYEGOCHWILXMMR-GOSISDBHSA-N 2 2 330.432 2.184 10 0 EEAELP CCOCCC[N@H+]1CC[C@@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001324627261 1333726458 /nfs/dbraw/zinc/72/64/58/1333726458.db2.gz AYEGOCHWILXMMR-GOSISDBHSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)CCCC[NH+]3CCCC3)C2)co1 ZINC001324679751 1333737984 /nfs/dbraw/zinc/73/79/84/1333737984.db2.gz FWCOOISRXHUADG-LJQANCHMSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)CCCC[NH+]3CCCC3)C2)co1 ZINC001324679751 1333737989 /nfs/dbraw/zinc/73/79/89/1333737989.db2.gz FWCOOISRXHUADG-LJQANCHMSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]CC[C@H]2CCCCO2)C1 ZINC001326417323 1334089567 /nfs/dbraw/zinc/08/95/67/1334089567.db2.gz CBFSFHKNGLKRHE-IAGOWNOFSA-N 2 2 348.491 2.048 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCC1=CCCCC1 ZINC001326667436 1334138106 /nfs/dbraw/zinc/13/81/06/1334138106.db2.gz LFIRVJYXIHNVFM-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@@H]1COCC[NH+]1CCC1=CCCCC1 ZINC001326667436 1334138110 /nfs/dbraw/zinc/13/81/10/1334138110.db2.gz LFIRVJYXIHNVFM-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CCC1=CCCCC1 ZINC001326667436 1334138112 /nfs/dbraw/zinc/13/81/12/1334138112.db2.gz LFIRVJYXIHNVFM-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1cccc(Cl)n1)C(=O)Cn1cc[nH+]c1 ZINC001329358763 1334633612 /nfs/dbraw/zinc/63/36/12/1334633612.db2.gz RFSQYKYYADXBHH-UHFFFAOYSA-N 2 2 349.866 2.206 10 0 EEAELP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)nc1 ZINC001331647721 1335051787 /nfs/dbraw/zinc/05/17/87/1335051787.db2.gz NTTXCXQJTOCFQU-CQSZACIVSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001666640351 1355557365 /nfs/dbraw/zinc/55/73/65/1355557365.db2.gz DHDYOBUWZPKRNZ-STQMWFEESA-N 2 2 328.407 2.120 10 0 EEAELP CC[C@@H](C(=O)NC1C[NH+](CCCOc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001567807290 1342843407 /nfs/dbraw/zinc/84/34/07/1342843407.db2.gz FPNOXKWIURBKGE-IBGZPJMESA-N 2 2 347.503 2.213 10 0 EEAELP C[C@@]1(C[NH2+]CC=C(Cl)Cl)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001569689484 1342924376 /nfs/dbraw/zinc/92/43/76/1342924376.db2.gz QWGXAIWBLOSOMD-AWEZNQCLSA-N 2 2 331.247 2.099 10 0 EEAELP CCCCC[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001569877142 1342966729 /nfs/dbraw/zinc/96/67/29/1342966729.db2.gz DJGPEIONUXWSTP-CALCHBBNSA-N 2 2 331.460 2.213 10 0 EEAELP CCCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]ccc3OC)C[C@H]2C1 ZINC001569877142 1342966732 /nfs/dbraw/zinc/96/67/32/1342966732.db2.gz DJGPEIONUXWSTP-CALCHBBNSA-N 2 2 331.460 2.213 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001676360726 1357140691 /nfs/dbraw/zinc/14/06/91/1357140691.db2.gz WSSQWOCAELYKNB-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001676360726 1357140694 /nfs/dbraw/zinc/14/06/94/1357140694.db2.gz WSSQWOCAELYKNB-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001676939908 1357245889 /nfs/dbraw/zinc/24/58/89/1357245889.db2.gz XDLKKBXZPPFDGL-WBVHZDCISA-N 2 2 331.460 2.307 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001677051319 1357270998 /nfs/dbraw/zinc/27/09/98/1357270998.db2.gz BGGWCXFJOHBAOS-ZIAGYGMSSA-N 2 2 346.397 2.156 10 0 EEAELP CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001677051285 1357271150 /nfs/dbraw/zinc/27/11/50/1357271150.db2.gz ATLFBMUNNMDFIB-ZIAGYGMSSA-N 2 2 346.397 2.300 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1=CC[N@H+](CCC(C)C)CC1 ZINC001677574437 1357360467 /nfs/dbraw/zinc/36/04/67/1357360467.db2.gz JVRHVEHVJGOWRE-UHFFFAOYSA-N 2 2 331.460 2.427 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001677574437 1357360471 /nfs/dbraw/zinc/36/04/71/1357360471.db2.gz JVRHVEHVJGOWRE-UHFFFAOYSA-N 2 2 331.460 2.427 10 0 EEAELP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC001645996517 1352812771 /nfs/dbraw/zinc/81/27/71/1352812771.db2.gz QLNZQEKMASXXPS-ZDUSSCGKSA-N 2 2 327.419 2.068 10 0 EEAELP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC001645996517 1352812774 /nfs/dbraw/zinc/81/27/74/1352812774.db2.gz QLNZQEKMASXXPS-ZDUSSCGKSA-N 2 2 327.419 2.068 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@H]1CC[NH2+]CCCF ZINC001649435585 1353502288 /nfs/dbraw/zinc/50/22/88/1353502288.db2.gz UUERICRBBVDCEA-HOTGVXAUSA-N 2 2 338.471 2.319 10 0 EEAELP COCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001649439521 1353505765 /nfs/dbraw/zinc/50/57/65/1353505765.db2.gz ZAUQVOLISDXCFL-SHTZXODSSA-N 2 2 330.432 2.001 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001656585815 1354250507 /nfs/dbraw/zinc/25/05/07/1354250507.db2.gz VLGJMDTUUYEJCN-IXDOHACOSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1ccc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)c(C)n1 ZINC001660757048 1354533327 /nfs/dbraw/zinc/53/33/27/1354533327.db2.gz FOPSSVGELKOIDY-UHFFFAOYSA-N 2 2 341.459 2.066 10 0 EEAELP Cc1ccc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)c(C)n1 ZINC001660757048 1354533329 /nfs/dbraw/zinc/53/33/29/1354533329.db2.gz FOPSSVGELKOIDY-UHFFFAOYSA-N 2 2 341.459 2.066 10 0 EEAELP CCOCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001661554697 1354656260 /nfs/dbraw/zinc/65/62/60/1354656260.db2.gz FBTSUYFMCPWEEI-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP CCOCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001661554697 1354656264 /nfs/dbraw/zinc/65/62/64/1354656264.db2.gz FBTSUYFMCPWEEI-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001661640188 1354667873 /nfs/dbraw/zinc/66/78/73/1354667873.db2.gz FJLVGVAFUBQBSG-JEVVYMOCSA-N 2 2 349.519 2.223 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001661640188 1354667878 /nfs/dbraw/zinc/66/78/78/1354667878.db2.gz FJLVGVAFUBQBSG-JEVVYMOCSA-N 2 2 349.519 2.223 10 0 EEAELP COCCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001663498112 1354972502 /nfs/dbraw/zinc/97/25/02/1354972502.db2.gz OIQKMTOLKIEBAQ-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP COCCCC[N@H+]1CCC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001663498112 1354972504 /nfs/dbraw/zinc/97/25/04/1354972504.db2.gz OIQKMTOLKIEBAQ-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C/Cl)CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001665933699 1355411987 /nfs/dbraw/zinc/41/19/87/1355411987.db2.gz JPONQCMYIOVBGO-VSZOKUSCSA-N 2 2 336.867 2.217 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC001666157293 1355470357 /nfs/dbraw/zinc/47/03/57/1355470357.db2.gz LQCUGVWXBWFCAJ-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001666168044 1355474396 /nfs/dbraw/zinc/47/43/96/1355474396.db2.gz SCLKSEBWSWTOLH-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001666432868 1355526262 /nfs/dbraw/zinc/52/62/62/1355526262.db2.gz JXCGQLQYLWAVDF-OPCNFVSTSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001666708994 1355573427 /nfs/dbraw/zinc/57/34/27/1355573427.db2.gz VHXPQFWSEANKDD-WIJVFFIESA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C\CC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001666708994 1355573429 /nfs/dbraw/zinc/57/34/29/1355573429.db2.gz VHXPQFWSEANKDD-WIJVFFIESA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C\CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001666708994 1355573437 /nfs/dbraw/zinc/57/34/37/1355573437.db2.gz VHXPQFWSEANKDD-WIJVFFIESA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C\CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001666708994 1355573441 /nfs/dbraw/zinc/57/34/41/1355573441.db2.gz VHXPQFWSEANKDD-WIJVFFIESA-N 2 2 337.508 2.034 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001667727791 1355798853 /nfs/dbraw/zinc/79/88/53/1355798853.db2.gz LWJFQGBNKUMRHV-SJLPKXTDSA-N 2 2 348.491 2.034 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001667727791 1355798856 /nfs/dbraw/zinc/79/88/56/1355798856.db2.gz LWJFQGBNKUMRHV-SJLPKXTDSA-N 2 2 348.491 2.034 10 0 EEAELP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001668528357 1355957869 /nfs/dbraw/zinc/95/78/69/1355957869.db2.gz DLLPPDVVWVWHGJ-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001668528357 1355957870 /nfs/dbraw/zinc/95/78/70/1355957870.db2.gz DLLPPDVVWVWHGJ-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP C[NH+]1CCC(CC(=O)NC/C=C/C[NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001669075242 1356084945 /nfs/dbraw/zinc/08/49/45/1356084945.db2.gz NHTSPWZWEOPKKR-NSCUHMNNSA-N 2 2 346.475 2.046 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccsc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001669331307 1356146427 /nfs/dbraw/zinc/14/64/27/1356146427.db2.gz LWJSKRJCZWXTDW-ZBFHGGJFSA-N 2 2 346.500 2.234 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001670118541 1356279556 /nfs/dbraw/zinc/27/95/56/1356279556.db2.gz SQCWJMWJTSXOJA-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001670118541 1356279560 /nfs/dbraw/zinc/27/95/60/1356279560.db2.gz SQCWJMWJTSXOJA-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1ccc(CF)cc1 ZINC001670322515 1356319850 /nfs/dbraw/zinc/31/98/50/1356319850.db2.gz IWKNBMUJQRZWGM-UHFFFAOYSA-N 2 2 332.423 2.368 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001672536389 1356548215 /nfs/dbraw/zinc/54/82/15/1356548215.db2.gz AJHRJLRHHKBKAS-HZPDHXFCSA-N 2 2 348.491 2.179 10 0 EEAELP COCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001672536389 1356548216 /nfs/dbraw/zinc/54/82/16/1356548216.db2.gz AJHRJLRHHKBKAS-HZPDHXFCSA-N 2 2 348.491 2.179 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1ccnc(Cl)c1 ZINC001675035559 1356926934 /nfs/dbraw/zinc/92/69/34/1356926934.db2.gz DYCLKWDWSRNABI-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1ccnc(Cl)c1 ZINC001675035559 1356926936 /nfs/dbraw/zinc/92/69/36/1356926936.db2.gz DYCLKWDWSRNABI-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP C[C@H](C[NH2+]CC/C=C/c1ccccc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001698848130 1405106067 /nfs/dbraw/zinc/10/60/67/1405106067.db2.gz MJCLYYVHBJHGTA-VGZDNEPHSA-N 2 2 326.444 2.492 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1CC[NH2+]CCc1ccns1 ZINC001698920521 1405162475 /nfs/dbraw/zinc/16/24/75/1405162475.db2.gz MVNCFFLAMUVIRQ-CQSZACIVSA-N 2 2 347.488 2.012 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001699111479 1405267259 /nfs/dbraw/zinc/26/72/59/1405267259.db2.gz BVKGRYGNYORXIR-RDJZCZTQSA-N 2 2 326.444 2.130 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C\CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001699279240 1405311304 /nfs/dbraw/zinc/31/13/04/1405311304.db2.gz WQSIZJPMBRCFME-QGZUEGPWSA-N 2 2 330.476 2.144 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001699338839 1405340351 /nfs/dbraw/zinc/34/03/51/1405340351.db2.gz UMFNATJZQOPTAG-YATRRXNKSA-N 2 2 342.418 2.349 10 0 EEAELP Cc1cnc(C[N@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001699827677 1405514043 /nfs/dbraw/zinc/51/40/43/1405514043.db2.gz RBXLVXYVWBKUFS-KRWDZBQOSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1cnc(C[N@@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001699827677 1405514052 /nfs/dbraw/zinc/51/40/52/1405514052.db2.gz RBXLVXYVWBKUFS-KRWDZBQOSA-N 2 2 338.521 2.264 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccnc(Cl)c1Cl ZINC000912388594 788153933 /nfs/dbraw/zinc/15/39/33/788153933.db2.gz XZCPSGYUDOYMFZ-UHFFFAOYSA-N 2 2 333.263 2.002 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccnc(Cl)c1Cl ZINC000912388594 788153936 /nfs/dbraw/zinc/15/39/36/788153936.db2.gz XZCPSGYUDOYMFZ-UHFFFAOYSA-N 2 2 333.263 2.002 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)NCc1[nH+]cc(C)c(OC)c1C ZINC000846148042 790074271 /nfs/dbraw/zinc/07/42/71/790074271.db2.gz ZAOVQZHNJOCYLR-UHFFFAOYSA-N 2 2 342.443 2.426 10 0 EEAELP Cc1nnc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[nH]1 ZINC000716727980 796448462 /nfs/dbraw/zinc/44/84/62/796448462.db2.gz NTLZPTXUQPXEGB-KSZLIROESA-N 2 2 325.460 2.298 10 0 EEAELP Cc1nnc(CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)[nH]1 ZINC000716727980 796448465 /nfs/dbraw/zinc/44/84/65/796448465.db2.gz NTLZPTXUQPXEGB-KSZLIROESA-N 2 2 325.460 2.298 10 0 EEAELP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2nccs2)C1 ZINC001566483910 1125645462 /nfs/dbraw/zinc/64/54/62/1125645462.db2.gz AUEKFOZFVPAESD-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2nccs2)C1 ZINC001566483910 1125645468 /nfs/dbraw/zinc/64/54/68/1125645468.db2.gz AUEKFOZFVPAESD-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@H+](C)Cc2nccs2)C1 ZINC001566483910 1125645470 /nfs/dbraw/zinc/64/54/70/1125645470.db2.gz AUEKFOZFVPAESD-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@@H+](C)Cc2nccs2)C1 ZINC001566483910 1125645475 /nfs/dbraw/zinc/64/54/75/1125645475.db2.gz AUEKFOZFVPAESD-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC1CCCC1 ZINC001566554786 1125726990 /nfs/dbraw/zinc/72/69/90/1125726990.db2.gz LUCSWEPPZKRNIJ-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC1CCCC1 ZINC001566554786 1125726993 /nfs/dbraw/zinc/72/69/93/1125726993.db2.gz LUCSWEPPZKRNIJ-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(F)cc1 ZINC001566574453 1125753508 /nfs/dbraw/zinc/75/35/08/1125753508.db2.gz VQZCRXSWGMMWNV-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(F)cc1 ZINC001566574453 1125753515 /nfs/dbraw/zinc/75/35/15/1125753515.db2.gz VQZCRXSWGMMWNV-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CC3)[C@@H]2C1(C)C ZINC001436452869 1087895242 /nfs/dbraw/zinc/89/52/42/1087895242.db2.gz XJHHBJQRPLPQBC-QRQLOZEOSA-N 2 2 344.503 2.368 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CC3)[C@@H]2C1(C)C ZINC001436452869 1087895261 /nfs/dbraw/zinc/89/52/61/1087895261.db2.gz XJHHBJQRPLPQBC-QRQLOZEOSA-N 2 2 344.503 2.368 10 0 EEAELP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](C/C(Cl)=C\Cl)CC2 ZINC001436760111 1088273585 /nfs/dbraw/zinc/27/35/85/1088273585.db2.gz UKJGTTXXKJAMGR-XSNHNAGMSA-N 2 2 334.291 2.228 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001436910544 1088568296 /nfs/dbraw/zinc/56/82/96/1088568296.db2.gz FSIDZPYLBHWVJS-XUXIUFHCSA-N 2 2 340.418 2.261 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001436910544 1088568305 /nfs/dbraw/zinc/56/83/05/1088568305.db2.gz FSIDZPYLBHWVJS-XUXIUFHCSA-N 2 2 340.418 2.261 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001436992643 1088718414 /nfs/dbraw/zinc/71/84/14/1088718414.db2.gz IIELXUUDGQAUOT-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001436992643 1088718430 /nfs/dbraw/zinc/71/84/30/1088718430.db2.gz IIELXUUDGQAUOT-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001436992643 1088718444 /nfs/dbraw/zinc/71/84/44/1088718444.db2.gz IIELXUUDGQAUOT-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001436992643 1088718457 /nfs/dbraw/zinc/71/84/57/1088718457.db2.gz IIELXUUDGQAUOT-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC001437032248 1088857092 /nfs/dbraw/zinc/85/70/92/1088857092.db2.gz NEKCDFVVWMWVAZ-ZDUSSCGKSA-N 2 2 345.274 2.481 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC001437032248 1088857112 /nfs/dbraw/zinc/85/71/12/1088857112.db2.gz NEKCDFVVWMWVAZ-ZDUSSCGKSA-N 2 2 345.274 2.481 10 0 EEAELP CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001437891701 1090471286 /nfs/dbraw/zinc/47/12/86/1090471286.db2.gz LPBWXDDAIUXBAS-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001437891701 1090471289 /nfs/dbraw/zinc/47/12/89/1090471289.db2.gz LPBWXDDAIUXBAS-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP Cc1ncc(C[NH2+]C[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCCC[C@H]2C)o1 ZINC001438434892 1090936041 /nfs/dbraw/zinc/93/60/41/1090936041.db2.gz ZHBOUVONSNBUMK-FZKQIMNGSA-N 2 2 345.447 2.104 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCc2cccs2)CCCC1 ZINC001438613607 1091103442 /nfs/dbraw/zinc/10/34/42/1091103442.db2.gz UVDZJKACUPGWQC-UHFFFAOYSA-N 2 2 332.473 2.206 10 0 EEAELP C[C@@H](C[NH2+]Cc1csc(C(C)(C)C)n1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001438685723 1091184367 /nfs/dbraw/zinc/18/43/67/1091184367.db2.gz ARMFXGRMAOEDBZ-LBPRGKRZSA-N 2 2 349.504 2.343 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438712213 1091230185 /nfs/dbraw/zinc/23/01/85/1091230185.db2.gz GNDQQKYFASBLSO-GUYCJALGSA-N 2 2 330.407 2.146 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CCc1[nH+]ccn1C ZINC001445768366 1091624336 /nfs/dbraw/zinc/62/43/36/1091624336.db2.gz UANLNWDNPXZMDU-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)CCc1[nH+]ccn1C ZINC001445768366 1091624341 /nfs/dbraw/zinc/62/43/41/1091624341.db2.gz UANLNWDNPXZMDU-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCn2cc[nH+]c2)sn1 ZINC001438959727 1091652216 /nfs/dbraw/zinc/65/22/16/1091652216.db2.gz JRXIVMDCIXXQOS-GOEBONIOSA-N 2 2 347.488 2.113 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001439410260 1092176084 /nfs/dbraw/zinc/17/60/84/1092176084.db2.gz RQDFCJPKPJTSKT-INIZCTEOSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001439410260 1092176086 /nfs/dbraw/zinc/17/60/86/1092176086.db2.gz RQDFCJPKPJTSKT-INIZCTEOSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C2CCCC2)n1 ZINC001439410260 1092176093 /nfs/dbraw/zinc/17/60/93/1092176093.db2.gz RQDFCJPKPJTSKT-INIZCTEOSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C2CCCC2)n1 ZINC001439410260 1092176100 /nfs/dbraw/zinc/17/61/00/1092176100.db2.gz RQDFCJPKPJTSKT-INIZCTEOSA-N 2 2 349.523 2.275 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)c1ccc2c(c1)CCC2 ZINC001446289910 1092447014 /nfs/dbraw/zinc/44/70/14/1092447014.db2.gz NDLVCQANLRUHOM-HNNXBMFYSA-N 2 2 338.455 2.371 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001439748981 1092706058 /nfs/dbraw/zinc/70/60/58/1092706058.db2.gz MHIFVOIXFYORDL-SFHVURJKSA-N 2 2 333.451 2.297 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001439748981 1092706067 /nfs/dbraw/zinc/70/60/67/1092706067.db2.gz MHIFVOIXFYORDL-SFHVURJKSA-N 2 2 333.451 2.297 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001439909726 1092978581 /nfs/dbraw/zinc/97/85/81/1092978581.db2.gz NMMRIZOIKHBJHL-IBGZPJMESA-N 2 2 344.434 2.359 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccsc1)C(=O)CCc1[nH+]ccn1C ZINC001440455691 1093672074 /nfs/dbraw/zinc/67/20/74/1093672074.db2.gz KPFOMIVKPSDARR-UHFFFAOYSA-N 2 2 334.489 2.395 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccsc1)C(=O)CCc1[nH+]ccn1C ZINC001440455691 1093672076 /nfs/dbraw/zinc/67/20/76/1093672076.db2.gz KPFOMIVKPSDARR-UHFFFAOYSA-N 2 2 334.489 2.395 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1coc(C)n1 ZINC001440459552 1093678573 /nfs/dbraw/zinc/67/85/73/1093678573.db2.gz WRKMMWRRZFPQOM-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1coc(C)n1 ZINC001440459552 1093678575 /nfs/dbraw/zinc/67/85/75/1093678575.db2.gz WRKMMWRRZFPQOM-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP CC[C@H](C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)OC ZINC001440733478 1093980994 /nfs/dbraw/zinc/98/09/94/1093980994.db2.gz ITLCTDPVKMNTBW-HUUCEWRRSA-N 2 2 336.480 2.035 10 0 EEAELP CC[C@H](C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)OC ZINC001440733478 1093980999 /nfs/dbraw/zinc/98/09/99/1093980999.db2.gz ITLCTDPVKMNTBW-HUUCEWRRSA-N 2 2 336.480 2.035 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001440841564 1094097911 /nfs/dbraw/zinc/09/79/11/1094097911.db2.gz VMDNYZPOVJJCPP-KGLIPLIRSA-N 2 2 326.444 2.124 10 0 EEAELP Cc1cc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001440857242 1094118035 /nfs/dbraw/zinc/11/80/35/1094118035.db2.gz XKIFVZWIKCOGMG-IAGOWNOFSA-N 2 2 328.460 2.491 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cscn1)C(C)(C)C ZINC001449306548 1094260292 /nfs/dbraw/zinc/26/02/92/1094260292.db2.gz GMTNGIOTANGZJC-CABCVRRESA-N 2 2 338.521 2.248 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1cscn1)C(C)(C)C ZINC001449306548 1094260302 /nfs/dbraw/zinc/26/03/02/1094260302.db2.gz GMTNGIOTANGZJC-CABCVRRESA-N 2 2 338.521 2.248 10 0 EEAELP C[C@@H](CC(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001449386645 1094360331 /nfs/dbraw/zinc/36/03/31/1094360331.db2.gz OMXLVYHTOFJTGU-HIFPTAJRSA-N 2 2 332.370 2.366 10 0 EEAELP CCc1ccccc1CC[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001441229880 1094608444 /nfs/dbraw/zinc/60/84/44/1094608444.db2.gz WISIVKLIUHETIQ-INIZCTEOSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[N@H+](C)CCCF)C2)c[nH+]1 ZINC001441317167 1094772414 /nfs/dbraw/zinc/77/24/14/1094772414.db2.gz YZLZLXBYLNAZPW-INIZCTEOSA-N 2 2 338.471 2.457 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[N@@H+](C)CCCF)C2)c[nH+]1 ZINC001441317167 1094772422 /nfs/dbraw/zinc/77/24/22/1094772422.db2.gz YZLZLXBYLNAZPW-INIZCTEOSA-N 2 2 338.471 2.457 10 0 EEAELP CC(C)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)C1)n1cc[nH+]c1 ZINC001441398576 1094967944 /nfs/dbraw/zinc/96/79/44/1094967944.db2.gz NKQPAGOIQGZBFM-XSLAGTTESA-N 2 2 348.491 2.276 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1C)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001441480073 1095149515 /nfs/dbraw/zinc/14/95/15/1095149515.db2.gz ZGROHOGKGDUDPO-KRWDZBQOSA-N 2 2 332.492 2.225 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)no1 ZINC001441508853 1095197987 /nfs/dbraw/zinc/19/79/87/1095197987.db2.gz GVOHGPPKSQYJOH-GJZGRUSLSA-N 2 2 347.463 2.330 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441602534 1095448615 /nfs/dbraw/zinc/44/86/15/1095448615.db2.gz ZCIHAFUDBAESPE-UONOGXRCSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441602534 1095448622 /nfs/dbraw/zinc/44/86/22/1095448622.db2.gz ZCIHAFUDBAESPE-UONOGXRCSA-N 2 2 340.418 2.216 10 0 EEAELP Cc1ncoc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001441639030 1095551632 /nfs/dbraw/zinc/55/16/32/1095551632.db2.gz XEWYZZHYBISMFD-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1ncoc1C[N@H+]1CCCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1 ZINC001441639030 1095551644 /nfs/dbraw/zinc/55/16/44/1095551644.db2.gz XEWYZZHYBISMFD-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1cc(C2CC2)no1 ZINC001441643732 1095568636 /nfs/dbraw/zinc/56/86/36/1095568636.db2.gz HPIADLCDRXAXIQ-LBPRGKRZSA-N 2 2 345.447 2.189 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001441649661 1095602031 /nfs/dbraw/zinc/60/20/31/1095602031.db2.gz SQNNYUFXEQYGDV-ROUUACIJSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC001441649661 1095602037 /nfs/dbraw/zinc/60/20/37/1095602037.db2.gz SQNNYUFXEQYGDV-ROUUACIJSA-N 2 2 348.491 2.203 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC001441670855 1095643489 /nfs/dbraw/zinc/64/34/89/1095643489.db2.gz FNMCKIBPESPXGU-GJZGRUSLSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC001441670855 1095643497 /nfs/dbraw/zinc/64/34/97/1095643497.db2.gz FNMCKIBPESPXGU-GJZGRUSLSA-N 2 2 347.488 2.065 10 0 EEAELP CC(C)CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001442219712 1096515657 /nfs/dbraw/zinc/51/56/57/1096515657.db2.gz AWDIQLVCFKSEMX-KBPBESRZSA-N 2 2 346.397 2.367 10 0 EEAELP Cc1cc(C)c(C(=O)NCC[N@@H+](C)C[C@H]2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC001442478550 1096808180 /nfs/dbraw/zinc/80/81/80/1096808180.db2.gz CIZHVYAMPUYVDQ-RDJZCZTQSA-N 2 2 333.476 2.484 10 0 EEAELP Cc1cc(C)c(C(=O)NCC[N@H+](C)C[C@H]2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC001442478550 1096808187 /nfs/dbraw/zinc/80/81/87/1096808187.db2.gz CIZHVYAMPUYVDQ-RDJZCZTQSA-N 2 2 333.476 2.484 10 0 EEAELP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1ncc(C)s1 ZINC001442673000 1097037827 /nfs/dbraw/zinc/03/78/27/1097037827.db2.gz IWBLOUOGHSUUCH-HNNXBMFYSA-N 2 2 338.521 2.264 10 0 EEAELP CC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1ncc(C)s1 ZINC001442673000 1097037831 /nfs/dbraw/zinc/03/78/31/1097037831.db2.gz IWBLOUOGHSUUCH-HNNXBMFYSA-N 2 2 338.521 2.264 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1ncc(C)s1 ZINC001442673000 1097037834 /nfs/dbraw/zinc/03/78/34/1097037834.db2.gz IWBLOUOGHSUUCH-HNNXBMFYSA-N 2 2 338.521 2.264 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)Cc1ncc(C)s1 ZINC001442673000 1097037837 /nfs/dbraw/zinc/03/78/37/1097037837.db2.gz IWBLOUOGHSUUCH-HNNXBMFYSA-N 2 2 338.521 2.264 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001442900625 1097302291 /nfs/dbraw/zinc/30/22/91/1097302291.db2.gz CCEFZXGRKWNYAQ-HUUCEWRRSA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001442900625 1097302296 /nfs/dbraw/zinc/30/22/96/1097302296.db2.gz CCEFZXGRKWNYAQ-HUUCEWRRSA-N 2 2 340.418 2.147 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001443190212 1097634968 /nfs/dbraw/zinc/63/49/68/1097634968.db2.gz RLMLAHCFOSERBV-HNNXBMFYSA-N 2 2 338.521 2.296 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001443190212 1097634969 /nfs/dbraw/zinc/63/49/69/1097634969.db2.gz RLMLAHCFOSERBV-HNNXBMFYSA-N 2 2 338.521 2.296 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](Cc2nccs2)C1 ZINC001443190212 1097634971 /nfs/dbraw/zinc/63/49/71/1097634971.db2.gz RLMLAHCFOSERBV-HNNXBMFYSA-N 2 2 338.521 2.296 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](Cc2nccs2)C1 ZINC001443190212 1097634973 /nfs/dbraw/zinc/63/49/73/1097634973.db2.gz RLMLAHCFOSERBV-HNNXBMFYSA-N 2 2 338.521 2.296 10 0 EEAELP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1nc(C)cs1 ZINC001443940984 1098460976 /nfs/dbraw/zinc/46/09/76/1098460976.db2.gz JSZBNDUAVWWPGE-AWEZNQCLSA-N 2 2 349.504 2.376 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ncc(Cl)s1 ZINC001479777910 1098960776 /nfs/dbraw/zinc/96/07/76/1098960776.db2.gz GXIREOHTTMBYBK-LBPRGKRZSA-N 2 2 344.912 2.219 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ncc(Cl)s1 ZINC001479777910 1098960786 /nfs/dbraw/zinc/96/07/86/1098960786.db2.gz GXIREOHTTMBYBK-LBPRGKRZSA-N 2 2 344.912 2.219 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)Cc1ncc(Cl)s1 ZINC001479777910 1098960790 /nfs/dbraw/zinc/96/07/90/1098960790.db2.gz GXIREOHTTMBYBK-LBPRGKRZSA-N 2 2 344.912 2.219 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)Cc1ncc(Cl)s1 ZINC001479777910 1098960793 /nfs/dbraw/zinc/96/07/93/1098960793.db2.gz GXIREOHTTMBYBK-LBPRGKRZSA-N 2 2 344.912 2.219 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001479792475 1098999708 /nfs/dbraw/zinc/99/97/08/1098999708.db2.gz VFYVNQAOROBPMD-HOCLYGCPSA-N 2 2 348.491 2.220 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)Cc2ncc(C3CC3)o2)CC[N@H+]1C ZINC001479792475 1098999719 /nfs/dbraw/zinc/99/97/19/1098999719.db2.gz VFYVNQAOROBPMD-HOCLYGCPSA-N 2 2 348.491 2.220 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCC[N@H+](C)Cc2ncc(C3CC3)o2)CC[NH+]1C ZINC001479792475 1098999730 /nfs/dbraw/zinc/99/97/30/1098999730.db2.gz VFYVNQAOROBPMD-HOCLYGCPSA-N 2 2 348.491 2.220 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCC[N@@H+](C)Cc2ncc(C3CC3)o2)CC[NH+]1C ZINC001479792475 1098999740 /nfs/dbraw/zinc/99/97/40/1098999740.db2.gz VFYVNQAOROBPMD-HOCLYGCPSA-N 2 2 348.491 2.220 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]Cc2nc(C)c(C)o2)CCCC1 ZINC001444527918 1099291228 /nfs/dbraw/zinc/29/12/28/1099291228.db2.gz VAFGYYUPRSQMSK-UHFFFAOYSA-N 2 2 345.447 2.015 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001480189520 1099788978 /nfs/dbraw/zinc/78/89/78/1099788978.db2.gz OIILBWIRYNCQKF-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001480189520 1099788985 /nfs/dbraw/zinc/78/89/85/1099788985.db2.gz OIILBWIRYNCQKF-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001480264537 1099952547 /nfs/dbraw/zinc/95/25/47/1099952547.db2.gz FFEZDUMCWVRMQE-CRAIPNDOSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001480264537 1099952556 /nfs/dbraw/zinc/95/25/56/1099952556.db2.gz FFEZDUMCWVRMQE-CRAIPNDOSA-N 2 2 338.455 2.468 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001445133135 1100387182 /nfs/dbraw/zinc/38/71/82/1100387182.db2.gz NWDPSEQNFZGTPH-AEFFLSMTSA-N 2 2 332.492 2.322 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001445133135 1100387190 /nfs/dbraw/zinc/38/71/90/1100387190.db2.gz NWDPSEQNFZGTPH-AEFFLSMTSA-N 2 2 332.492 2.322 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)s1 ZINC001495117842 1100774541 /nfs/dbraw/zinc/77/45/41/1100774541.db2.gz MLXRZQBHUDFDOT-NSHDSACASA-N 2 2 326.853 2.283 10 0 EEAELP C[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496245808 1100815163 /nfs/dbraw/zinc/81/51/63/1100815163.db2.gz WDDKXSAOOYZTNV-UONOGXRCSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001496375589 1100968621 /nfs/dbraw/zinc/96/86/21/1100968621.db2.gz NJYNBIYYPZQHPR-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001446556740 1101032290 /nfs/dbraw/zinc/03/22/90/1101032290.db2.gz NTTOYRVHJAPTCW-SCLBCKFNSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001446556740 1101032302 /nfs/dbraw/zinc/03/23/02/1101032302.db2.gz NTTOYRVHJAPTCW-SCLBCKFNSA-N 2 2 345.447 2.220 10 0 EEAELP CCC[NH+]1CCC(N(Cc2ccccn2)C(=O)Cn2cc[nH+]c2)CC1 ZINC001446965609 1101673950 /nfs/dbraw/zinc/67/39/50/1101673950.db2.gz JBFWVNJSADZCQZ-UHFFFAOYSA-N 2 2 341.459 2.181 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496082583 1102028899 /nfs/dbraw/zinc/02/88/99/1102028899.db2.gz PYZNMGVHWFAICL-CQSZACIVSA-N 2 2 346.479 2.065 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496082583 1102028919 /nfs/dbraw/zinc/02/89/19/1102028919.db2.gz PYZNMGVHWFAICL-CQSZACIVSA-N 2 2 346.479 2.065 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cscn2)CC1 ZINC001447148699 1102083858 /nfs/dbraw/zinc/08/38/58/1102083858.db2.gz IKGTULVILWSPBB-CVEARBPZSA-N 2 2 348.516 2.050 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cscn2)CC1 ZINC001447148699 1102083873 /nfs/dbraw/zinc/08/38/73/1102083873.db2.gz IKGTULVILWSPBB-CVEARBPZSA-N 2 2 348.516 2.050 10 0 EEAELP CCC1([NH2+]Cc2ncc(C)o2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001447416053 1102615363 /nfs/dbraw/zinc/61/53/63/1102615363.db2.gz PMILHTAETYQWLZ-UHFFFAOYSA-N 2 2 345.447 2.131 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001447628246 1102995334 /nfs/dbraw/zinc/99/53/34/1102995334.db2.gz DQINZTVBDBPBGX-ZBFHGGJFSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1coc(C2CC2)n1 ZINC001447628246 1102995341 /nfs/dbraw/zinc/99/53/41/1102995341.db2.gz DQINZTVBDBPBGX-ZBFHGGJFSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001447891227 1103530211 /nfs/dbraw/zinc/53/02/11/1103530211.db2.gz RWYUZDKSFKSFAA-HUUCEWRRSA-N 2 2 346.450 2.483 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)n1 ZINC001447924006 1103610157 /nfs/dbraw/zinc/61/01/57/1103610157.db2.gz FNSVAEOLJMSMQW-CABCVRRESA-N 2 2 343.475 2.164 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH+](C)CC1CCCC1 ZINC001448047480 1103893230 /nfs/dbraw/zinc/89/32/30/1103893230.db2.gz ZYYOUQOCEZKWSJ-RDTXWAMCSA-N 2 2 347.507 2.417 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH+](C)CC1CCCC1 ZINC001448047480 1103893241 /nfs/dbraw/zinc/89/32/41/1103893241.db2.gz ZYYOUQOCEZKWSJ-RDTXWAMCSA-N 2 2 347.507 2.417 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)[N@H+](C)CC1CCCC1 ZINC001448047480 1103893245 /nfs/dbraw/zinc/89/32/45/1103893245.db2.gz ZYYOUQOCEZKWSJ-RDTXWAMCSA-N 2 2 347.507 2.417 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)[N@@H+](C)CC1CCCC1 ZINC001448047480 1103893251 /nfs/dbraw/zinc/89/32/51/1103893251.db2.gz ZYYOUQOCEZKWSJ-RDTXWAMCSA-N 2 2 347.507 2.417 10 0 EEAELP O=C(NC1C[NH+](CCCCC(F)(F)F)C1)C12CCC[NH+](CCC1)C2 ZINC001494407964 1103991264 /nfs/dbraw/zinc/99/12/64/1103991264.db2.gz YKXKURWMVXJUDV-UHFFFAOYSA-N 2 2 347.425 2.395 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+]([C@H]2CCCc3ccccc32)C1 ZINC001448333094 1104410020 /nfs/dbraw/zinc/41/00/20/1104410020.db2.gz JXKQZYVCZVTWPE-BEFAXECRSA-N 2 2 338.455 2.397 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(C)cc1 ZINC001495011730 1104654069 /nfs/dbraw/zinc/65/40/69/1104654069.db2.gz KZGMHMONRBFIML-ZWKOTPCHSA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001495065826 1104705136 /nfs/dbraw/zinc/70/51/36/1104705136.db2.gz UGOOQBWHHVVZMZ-DZGCQCFKSA-N 2 2 330.432 2.206 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CCCF ZINC001480829547 1107217549 /nfs/dbraw/zinc/21/75/49/1107217549.db2.gz BRMCPMKOKFZOAR-BZUAXINKSA-N 2 2 336.455 2.244 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CCCF ZINC001480829547 1107217556 /nfs/dbraw/zinc/21/75/56/1107217556.db2.gz BRMCPMKOKFZOAR-BZUAXINKSA-N 2 2 336.455 2.244 10 0 EEAELP C[C@H](C[N@H+](C)C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336916 1107326018 /nfs/dbraw/zinc/32/60/18/1107326018.db2.gz FFIWUMBCPXMZJR-CABCVRRESA-N 2 2 344.459 2.200 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336916 1107326032 /nfs/dbraw/zinc/32/60/32/1107326032.db2.gz FFIWUMBCPXMZJR-CABCVRRESA-N 2 2 344.459 2.200 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493110342 1107513707 /nfs/dbraw/zinc/51/37/07/1107513707.db2.gz HBBIYWFMUKKTDD-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493110342 1107513717 /nfs/dbraw/zinc/51/37/17/1107513717.db2.gz HBBIYWFMUKKTDD-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498457447 1107565257 /nfs/dbraw/zinc/56/52/57/1107565257.db2.gz NOMHQCFQDHNILF-CYBMUJFWSA-N 2 2 347.463 2.248 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C\Cl)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001498569562 1107737340 /nfs/dbraw/zinc/73/73/40/1107737340.db2.gz AGDMOGVOEURHNV-ALFJJAPYSA-N 2 2 345.274 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001493272897 1107829640 /nfs/dbraw/zinc/82/96/40/1107829640.db2.gz YKKZEPFJEDAROK-OAHLLOKOSA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001493272897 1107829653 /nfs/dbraw/zinc/82/96/53/1107829653.db2.gz YKKZEPFJEDAROK-OAHLLOKOSA-N 2 2 340.418 2.147 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001498782224 1108092417 /nfs/dbraw/zinc/09/24/17/1108092417.db2.gz SGWZDOMSKASEEU-DOTOQJQBSA-N 2 2 332.492 2.366 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CCC(c3c[nH+]cn3C)CC2)cc1 ZINC001460966723 1110330180 /nfs/dbraw/zinc/33/01/80/1110330180.db2.gz UGSYDFQLPNDWCV-UHFFFAOYSA-N 2 2 328.416 2.247 10 0 EEAELP Cc1cc(C[NH+]2CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C2)no1 ZINC001500552614 1112942323 /nfs/dbraw/zinc/94/23/23/1112942323.db2.gz ICPDKGAJDVVEME-SFHVURJKSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cc(C[NH+]2CCC[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C2)no1 ZINC001500552614 1112942327 /nfs/dbraw/zinc/94/23/27/1112942327.db2.gz ICPDKGAJDVVEME-SFHVURJKSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C2)no1 ZINC001500552614 1112942330 /nfs/dbraw/zinc/94/23/30/1112942330.db2.gz ICPDKGAJDVVEME-SFHVURJKSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C2)no1 ZINC001500552614 1112942334 /nfs/dbraw/zinc/94/23/34/1112942334.db2.gz ICPDKGAJDVVEME-SFHVURJKSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001501600743 1113395792 /nfs/dbraw/zinc/39/57/92/1113395792.db2.gz PAAZBXAMFIKFGU-QGZVFWFLSA-N 2 2 341.459 2.005 10 0 EEAELP CC[C@@H](C)C[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001501780384 1113473971 /nfs/dbraw/zinc/47/39/71/1113473971.db2.gz TVPPKEVWKPBRDT-SJORKVTESA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001501780384 1113473973 /nfs/dbraw/zinc/47/39/73/1113473973.db2.gz TVPPKEVWKPBRDT-SJORKVTESA-N 2 2 339.524 2.114 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505660041 1114115621 /nfs/dbraw/zinc/11/56/21/1114115621.db2.gz JUWPGSBACIVUKT-VXGBXAGGSA-N 2 2 349.504 2.109 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001505697216 1114136737 /nfs/dbraw/zinc/13/67/37/1114136737.db2.gz DXGKKCJWGCWVLC-JKSUJKDBSA-N 2 2 344.459 2.131 10 0 EEAELP Cc1csc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2C)n1 ZINC001505709815 1114144536 /nfs/dbraw/zinc/14/45/36/1114144536.db2.gz JPRJJLZZBUSSES-KBPBESRZSA-N 2 2 349.504 2.420 10 0 EEAELP Cc1ccc(CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC001505743506 1114164182 /nfs/dbraw/zinc/16/41/82/1114164182.db2.gz YDUZVQIVXBPSFX-IAGOWNOFSA-N 2 2 342.487 2.387 10 0 EEAELP Cc1cc(C[NH2+]CC2(NC(=O)Cn3c[nH+]cc3C)CCCCC2)no1 ZINC001506512662 1114663216 /nfs/dbraw/zinc/66/32/16/1114663216.db2.gz LNTQSZJMZBTKDF-UHFFFAOYSA-N 2 2 345.447 2.097 10 0 EEAELP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001507459040 1115281543 /nfs/dbraw/zinc/28/15/43/1115281543.db2.gz WCZXCYMMXXNISG-KGLIPLIRSA-N 2 2 346.397 2.298 10 0 EEAELP CN(C[C@@H](O)C[NH2+]CC1=CCCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507488041 1115288130 /nfs/dbraw/zinc/28/81/30/1115288130.db2.gz XICXJYPZAFZRPQ-INIZCTEOSA-N 2 2 342.443 2.086 10 0 EEAELP C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1)n1cc[nH+]c1 ZINC001508139108 1115426180 /nfs/dbraw/zinc/42/61/80/1115426180.db2.gz MNIMOKUWGXAFJD-NVPAJSRCSA-N 2 2 345.422 2.148 10 0 EEAELP 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1124579644 /nfs/dbraw/zinc/57/96/44/1124579644.db2.gz MGYKHRISWPIDQB-SJLPKXTDSA-N 2 2 332.492 2.466 10 0 EEAELP Cc1nc(CC[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cs1 ZINC001568644166 1124656129 /nfs/dbraw/zinc/65/61/29/1124656129.db2.gz LIQODXMFMGZSKP-NILFDRSVSA-N 2 2 347.488 2.005 10 0 EEAELP Cc1nc(CC[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cs1 ZINC001568644166 1124656133 /nfs/dbraw/zinc/65/61/33/1124656133.db2.gz LIQODXMFMGZSKP-NILFDRSVSA-N 2 2 347.488 2.005 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCCC1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001568876357 1124902115 /nfs/dbraw/zinc/90/21/15/1124902115.db2.gz STXFTBLHIRCZMD-YYZONTRBSA-N 2 2 330.476 2.288 10 0 EEAELP Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001568926674 1124956116 /nfs/dbraw/zinc/95/61/16/1124956116.db2.gz HUFSFTKKRDSZCI-AATRIKPKSA-N 2 2 345.447 2.074 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cn1 ZINC001569244185 1125190556 /nfs/dbraw/zinc/19/05/56/1125190556.db2.gz GUCXFMWLJYNJQB-CVEARBPZSA-N 2 2 344.463 2.132 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000181076487 529898861 /nfs/dbraw/zinc/89/88/61/529898861.db2.gz ZIAJHEORPIZGSF-KRWDZBQOSA-N 2 2 337.851 2.436 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COCc1ccc(Cl)cc1 ZINC000181076487 529898862 /nfs/dbraw/zinc/89/88/62/529898862.db2.gz ZIAJHEORPIZGSF-KRWDZBQOSA-N 2 2 337.851 2.436 10 0 EEAELP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000163934272 539537682 /nfs/dbraw/zinc/53/76/82/539537682.db2.gz SVPCHDGHLPBOKU-FQEVSTJZSA-N 2 2 331.504 2.353 10 0 EEAELP CC(C)[C@H]1CC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000353499506 539892808 /nfs/dbraw/zinc/89/28/08/539892808.db2.gz USLCABIIGXIVKS-IAGOWNOFSA-N 2 2 330.476 2.145 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCc2nc(C)no2)[C@H]2CCC[NH2+]2)cc1 ZINC000422938650 240299964 /nfs/dbraw/zinc/29/99/64/240299964.db2.gz DTPYERBMMJQCBE-AEFFLSMTSA-N 2 2 330.432 2.402 10 0 EEAELP C(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1nc2c(s1)CCCC2 ZINC000422906334 240285364 /nfs/dbraw/zinc/28/53/64/240285364.db2.gz JQQAJYOXQVQJNP-CRAIPNDOSA-N 2 2 335.517 2.311 10 0 EEAELP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268829460 252279194 /nfs/dbraw/zinc/27/91/94/252279194.db2.gz QIXOVZWRJSQUHU-AZUAARDMSA-N 3 2 333.520 2.455 10 0 EEAELP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268829460 252279196 /nfs/dbraw/zinc/27/91/96/252279196.db2.gz QIXOVZWRJSQUHU-AZUAARDMSA-N 3 2 333.520 2.455 10 0 EEAELP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268829460 252279197 /nfs/dbraw/zinc/27/91/97/252279197.db2.gz QIXOVZWRJSQUHU-AZUAARDMSA-N 3 2 333.520 2.455 10 0 EEAELP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268829460 252279198 /nfs/dbraw/zinc/27/91/98/252279198.db2.gz QIXOVZWRJSQUHU-AZUAARDMSA-N 3 2 333.520 2.455 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000271170790 256216094 /nfs/dbraw/zinc/21/60/94/256216094.db2.gz DEHIQISBHDCDNM-UHFFFAOYSA-N 2 2 342.443 2.256 10 0 EEAELP Cc1nnsc1C[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328598155 258041730 /nfs/dbraw/zinc/04/17/30/258041730.db2.gz KMIKMNMREXPHHM-CQSZACIVSA-N 2 2 345.472 2.495 10 0 EEAELP Cc1nnsc1C[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328598155 258041731 /nfs/dbraw/zinc/04/17/31/258041731.db2.gz KMIKMNMREXPHHM-CQSZACIVSA-N 2 2 345.472 2.495 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000328655381 258019736 /nfs/dbraw/zinc/01/97/36/258019736.db2.gz YGYBILCNMUEFNR-QFBILLFUSA-N 2 2 343.475 2.339 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000328655381 258019738 /nfs/dbraw/zinc/01/97/38/258019738.db2.gz YGYBILCNMUEFNR-QFBILLFUSA-N 2 2 343.475 2.339 10 0 EEAELP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000328655381 258019740 /nfs/dbraw/zinc/01/97/40/258019740.db2.gz YGYBILCNMUEFNR-QFBILLFUSA-N 2 2 343.475 2.339 10 0 EEAELP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000328655381 258019741 /nfs/dbraw/zinc/01/97/41/258019741.db2.gz YGYBILCNMUEFNR-QFBILLFUSA-N 2 2 343.475 2.339 10 0 EEAELP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172749405 152114985 /nfs/dbraw/zinc/11/49/85/152114985.db2.gz XFDLWPKRSBIVMX-MOPGFXCFSA-N 2 2 345.487 2.003 10 0 EEAELP CCc1onc(C)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172755081 152115671 /nfs/dbraw/zinc/11/56/71/152115671.db2.gz MKPOHYCDROZLHA-UHFFFAOYSA-N 2 2 348.491 2.226 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[N@@H+]1C ZINC000123712926 292283421 /nfs/dbraw/zinc/28/34/21/292283421.db2.gz FYKRQURUEOIUMB-GOEBONIOSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[N@H+]1C ZINC000123712926 292283423 /nfs/dbraw/zinc/28/34/23/292283423.db2.gz FYKRQURUEOIUMB-GOEBONIOSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[NH+]1C ZINC000123712926 292283425 /nfs/dbraw/zinc/28/34/25/292283425.db2.gz FYKRQURUEOIUMB-GOEBONIOSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[NH+]1C ZINC000123712926 292283427 /nfs/dbraw/zinc/28/34/27/292283427.db2.gz FYKRQURUEOIUMB-GOEBONIOSA-N 2 2 333.480 2.351 10 0 EEAELP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000185160017 160028679 /nfs/dbraw/zinc/02/86/79/160028679.db2.gz CKARDNBMHBYCRR-UHFFFAOYSA-N 2 2 341.459 2.167 10 0 EEAELP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000185160017 160028681 /nfs/dbraw/zinc/02/86/81/160028681.db2.gz CKARDNBMHBYCRR-UHFFFAOYSA-N 2 2 341.459 2.167 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186542747 160074346 /nfs/dbraw/zinc/07/43/46/160074346.db2.gz ANXIRUVRACEAGM-IRXDYDNUSA-N 2 2 345.491 2.176 10 0 EEAELP COC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000187796039 160109038 /nfs/dbraw/zinc/10/90/38/160109038.db2.gz WOWBCJFTWJSWCW-IBGZPJMESA-N 2 2 333.476 2.077 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000190187053 160156262 /nfs/dbraw/zinc/15/62/62/160156262.db2.gz KRLDKXCLJVVBOS-KGLIPLIRSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000190187053 160156263 /nfs/dbraw/zinc/15/62/63/160156263.db2.gz KRLDKXCLJVVBOS-KGLIPLIRSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)c1nnc2n1CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]2C ZINC000192841449 160174981 /nfs/dbraw/zinc/17/49/81/160174981.db2.gz VLELHHMMAAIXDU-QGZVFWFLSA-N 2 2 348.539 2.194 10 0 EEAELP CC(C)c1nnc2n1CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]2C ZINC000192841449 160174982 /nfs/dbraw/zinc/17/49/82/160174982.db2.gz VLELHHMMAAIXDU-QGZVFWFLSA-N 2 2 348.539 2.194 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)[C@@H](C)C1 ZINC000245416268 160233103 /nfs/dbraw/zinc/23/31/03/160233103.db2.gz DZPWQYFFRODUAY-MAUKXSAKSA-N 2 2 335.467 2.446 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)[C@@H](C)C1 ZINC000245416268 160233104 /nfs/dbraw/zinc/23/31/04/160233104.db2.gz DZPWQYFFRODUAY-MAUKXSAKSA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2F)[C@@H](C)C1 ZINC000245416268 160233105 /nfs/dbraw/zinc/23/31/05/160233105.db2.gz DZPWQYFFRODUAY-MAUKXSAKSA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2F)[C@@H](C)C1 ZINC000245416268 160233106 /nfs/dbraw/zinc/23/31/06/160233106.db2.gz DZPWQYFFRODUAY-MAUKXSAKSA-N 2 2 335.467 2.446 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)CN3C[C@H]4CCC[N@H+]4C[C@H]3C)c2cc1C ZINC000247484704 160326399 /nfs/dbraw/zinc/32/63/99/160326399.db2.gz SYZXIFBXPGEOIX-KZNAEPCWSA-N 2 2 342.487 2.183 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)CN3C[C@H]4CCC[N@@H+]4C[C@H]3C)c2cc1C ZINC000247484704 160326401 /nfs/dbraw/zinc/32/64/01/160326401.db2.gz SYZXIFBXPGEOIX-KZNAEPCWSA-N 2 2 342.487 2.183 10 0 EEAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000343984694 161186794 /nfs/dbraw/zinc/18/67/94/161186794.db2.gz PLEMECIYZCMLGW-ULQDDVLXSA-N 2 2 349.523 2.431 10 0 EEAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000343984694 161186795 /nfs/dbraw/zinc/18/67/95/161186795.db2.gz PLEMECIYZCMLGW-ULQDDVLXSA-N 2 2 349.523 2.431 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000346041118 161352364 /nfs/dbraw/zinc/35/23/64/161352364.db2.gz BGGRISBPAMWCSE-UHFFFAOYSA-N 2 2 347.507 2.340 10 0 EEAELP CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346137710 161360377 /nfs/dbraw/zinc/36/03/77/161360377.db2.gz INTAGXKMRYPPJI-QGZVFWFLSA-N 2 2 328.416 2.493 10 0 EEAELP CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346137710 161360378 /nfs/dbraw/zinc/36/03/78/161360378.db2.gz INTAGXKMRYPPJI-QGZVFWFLSA-N 2 2 328.416 2.493 10 0 EEAELP C[C@@H]1[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC[N@H+]1C ZINC000346488999 161376434 /nfs/dbraw/zinc/37/64/34/161376434.db2.gz KCEWYBKCPUGCTF-NEPJUHHUSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@@H]1[C@H](C)N(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC[N@@H+]1C ZINC000346488999 161376435 /nfs/dbraw/zinc/37/64/35/161376435.db2.gz KCEWYBKCPUGCTF-NEPJUHHUSA-N 2 2 349.385 2.370 10 0 EEAELP Cc1ccc(-c2nnc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)o2)cc1 ZINC000352773619 162280394 /nfs/dbraw/zinc/28/03/94/162280394.db2.gz SZIYPOCKVSXMOJ-UHFFFAOYSA-N 2 2 343.475 2.114 10 0 EEAELP CC1CC[NH+](C2CCC(Nc3nc4c(cnn4C)c(N)[nH+]3)CC2)CC1 ZINC000278481064 274362803 /nfs/dbraw/zinc/36/28/03/274362803.db2.gz VJRDATCEEHZCGI-UHFFFAOYSA-N 2 2 343.479 2.401 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292094956 275375318 /nfs/dbraw/zinc/37/53/18/275375318.db2.gz HGIITYXEWMGLTN-UZLBHIALSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292094956 275375320 /nfs/dbraw/zinc/37/53/20/275375320.db2.gz HGIITYXEWMGLTN-UZLBHIALSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292094956 275375321 /nfs/dbraw/zinc/37/53/21/275375321.db2.gz HGIITYXEWMGLTN-UZLBHIALSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292094956 275375323 /nfs/dbraw/zinc/37/53/23/275375323.db2.gz HGIITYXEWMGLTN-UZLBHIALSA-N 2 2 327.472 2.382 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000050802263 277027188 /nfs/dbraw/zinc/02/71/88/277027188.db2.gz VOKSIPCZLMCHJY-HNNXBMFYSA-N 2 2 348.318 2.245 10 0 EEAELP CN(C)[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000422759784 289365441 /nfs/dbraw/zinc/36/54/41/289365441.db2.gz LMHVSEKBTJZAHT-FGTMMUONSA-N 2 2 337.895 2.299 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000297041327 294137004 /nfs/dbraw/zinc/13/70/04/294137004.db2.gz KLKHPFDBMZMBGI-NVXWUHKLSA-N 2 2 341.459 2.365 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000297041327 294137005 /nfs/dbraw/zinc/13/70/05/294137005.db2.gz KLKHPFDBMZMBGI-NVXWUHKLSA-N 2 2 341.459 2.365 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+]C[C@@H]([NH3+])c1ccccc1)OCO2 ZINC000414832284 313099826 /nfs/dbraw/zinc/09/98/26/313099826.db2.gz OIYJNOXOJJMROZ-MRXNPFEDSA-N 2 2 344.411 2.230 10 0 EEAELP C[C@@H](NC(=O)NCc1[nH+]ccn1CCCc1ccccc1)[C@H](C)[NH3+] ZINC000417835518 313612611 /nfs/dbraw/zinc/61/26/11/313612611.db2.gz GHKWBTWKLNBERD-LSDHHAIUSA-N 2 2 329.448 2.051 10 0 EEAELP C[NH+]1CCC(CCO)([NH2+]Cc2ccsc2Br)CC1 ZINC000527723754 317252970 /nfs/dbraw/zinc/25/29/70/317252970.db2.gz HKDGHRCSFDQDKQ-UHFFFAOYSA-N 2 2 333.295 2.447 10 0 EEAELP CCn1ncc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000527733279 317254192 /nfs/dbraw/zinc/25/41/92/317254192.db2.gz CDAUNNACJGJPAS-UHFFFAOYSA-N 2 2 342.491 2.118 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528598192 317427351 /nfs/dbraw/zinc/42/73/51/317427351.db2.gz HPBYWZGRNPOMKO-IRXDYDNUSA-N 2 2 331.460 2.048 10 0 EEAELP CC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000528726275 317463376 /nfs/dbraw/zinc/46/33/76/317463376.db2.gz DRCGPOFPKSLYRT-IBGZPJMESA-N 2 2 332.488 2.167 10 0 EEAELP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc4ccccc4n3)cn2)CC1 ZINC000532395517 317862444 /nfs/dbraw/zinc/86/24/44/317862444.db2.gz SYXBBGLKGWELQM-UHFFFAOYSA-N 2 2 348.454 2.066 10 0 EEAELP O=S1(=O)CCC(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000543236791 318153517 /nfs/dbraw/zinc/15/35/17/318153517.db2.gz BPDFLEIFNWQULG-UHFFFAOYSA-N 2 2 339.486 2.238 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCSCC1 ZINC000548307496 318373358 /nfs/dbraw/zinc/37/33/58/318373358.db2.gz NXMVMVUEFHLBNI-UKRRQHHQSA-N 2 2 336.505 2.032 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566291765 319269939 /nfs/dbraw/zinc/26/99/39/319269939.db2.gz LGSZOKYMEBWGPQ-GOSISDBHSA-N 2 2 338.455 2.358 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c[nH+]1 ZINC000577494428 320258737 /nfs/dbraw/zinc/25/87/37/320258737.db2.gz VKDQTWZTWHPCKX-MRXNPFEDSA-N 2 2 346.452 2.147 10 0 EEAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)[C@@H]1n1cccn1 ZINC000580630575 324100647 /nfs/dbraw/zinc/10/06/47/324100647.db2.gz UPDMGZFYNOUFQP-ZACQAIPSSA-N 2 2 325.416 2.348 10 0 EEAELP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000580985403 324162255 /nfs/dbraw/zinc/16/22/55/324162255.db2.gz FMBBDNTWUWFPQT-OAHLLOKOSA-N 2 2 333.480 2.029 10 0 EEAELP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000580985403 324162257 /nfs/dbraw/zinc/16/22/57/324162257.db2.gz FMBBDNTWUWFPQT-OAHLLOKOSA-N 2 2 333.480 2.029 10 0 EEAELP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000580985403 324162259 /nfs/dbraw/zinc/16/22/59/324162259.db2.gz FMBBDNTWUWFPQT-OAHLLOKOSA-N 2 2 333.480 2.029 10 0 EEAELP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000580985403 324162262 /nfs/dbraw/zinc/16/22/62/324162262.db2.gz FMBBDNTWUWFPQT-OAHLLOKOSA-N 2 2 333.480 2.029 10 0 EEAELP O=C(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)NCC1CC1 ZINC000581607340 324289074 /nfs/dbraw/zinc/28/90/74/324289074.db2.gz VXRSNAXKRLRQBC-SFHVURJKSA-N 2 2 327.472 2.299 10 0 EEAELP O=C(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)NCC1CC1 ZINC000581607340 324289077 /nfs/dbraw/zinc/28/90/77/324289077.db2.gz VXRSNAXKRLRQBC-SFHVURJKSA-N 2 2 327.472 2.299 10 0 EEAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000582487920 324464116 /nfs/dbraw/zinc/46/41/16/324464116.db2.gz IVIQLHIMUQEDAK-MRXNPFEDSA-N 2 2 346.452 2.147 10 0 EEAELP Cc1nc2[nH]ccc2c(NCc2cccnc2N2CC[NH+](C)CC2)[nH+]1 ZINC000531433516 448082965 /nfs/dbraw/zinc/08/29/65/448082965.db2.gz VYALUUSONWJMKT-UHFFFAOYSA-N 2 2 337.431 2.025 10 0 EEAELP CCc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000608315915 449804454 /nfs/dbraw/zinc/80/44/54/449804454.db2.gz YXCYKIDSFHAEPW-UHFFFAOYSA-N 2 2 349.479 2.309 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000623773511 450580906 /nfs/dbraw/zinc/58/09/06/450580906.db2.gz KZFZHJFEPCDVNS-HNNXBMFYSA-N 2 2 327.432 2.040 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000623773511 450580910 /nfs/dbraw/zinc/58/09/10/450580910.db2.gz KZFZHJFEPCDVNS-HNNXBMFYSA-N 2 2 327.432 2.040 10 0 EEAELP C[C@H](Nc1nc2ccccc2n2c[nH+]cc12)[C@H](C)[NH+]1CCOCC1 ZINC000623941354 450644133 /nfs/dbraw/zinc/64/41/33/450644133.db2.gz PMKYTWWAXVCPFE-KBPBESRZSA-N 2 2 325.416 2.404 10 0 EEAELP CCC[N@@H+]1CC[C@H](NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000624380318 450821260 /nfs/dbraw/zinc/82/12/60/450821260.db2.gz BJWYMTMSGNXVEC-HNNXBMFYSA-N 2 2 348.495 2.104 10 0 EEAELP CCC[N@H+]1CC[C@H](NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000624380318 450821262 /nfs/dbraw/zinc/82/12/62/450821262.db2.gz BJWYMTMSGNXVEC-HNNXBMFYSA-N 2 2 348.495 2.104 10 0 EEAELP Cc1cc(NCCNC(=O)NCCC[C@H]2CCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000627099915 451123098 /nfs/dbraw/zinc/12/30/98/451123098.db2.gz ATXBQSJWLVMFPM-OAHLLOKOSA-N 2 2 348.495 2.152 10 0 EEAELP CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3csnn3)CC2)c[nH+]1 ZINC000328630531 465080223 /nfs/dbraw/zinc/08/02/23/465080223.db2.gz JLKVXLJSGMMTFN-CYBMUJFWSA-N 2 2 332.477 2.466 10 0 EEAELP CN(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3csnn3)CC2)c[nH+]1 ZINC000328630531 465080226 /nfs/dbraw/zinc/08/02/26/465080226.db2.gz JLKVXLJSGMMTFN-CYBMUJFWSA-N 2 2 332.477 2.466 10 0 EEAELP CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)o1 ZINC000341298985 465099364 /nfs/dbraw/zinc/09/93/64/465099364.db2.gz KEVSRDSKINDHHM-ZFWWWQNUSA-N 2 2 330.432 2.417 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[C@H]([NH+](CC)CC)C2)[nH+]1 ZINC000351518632 465198038 /nfs/dbraw/zinc/19/80/38/465198038.db2.gz CSKKLTYIVIFDCW-SFHVURJKSA-N 2 2 334.508 2.470 10 0 EEAELP CC[C@H](C)n1ncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000358763186 465307886 /nfs/dbraw/zinc/30/78/86/465307886.db2.gz BHHLAEXHNIXMDJ-HNNXBMFYSA-N 2 2 349.523 2.261 10 0 EEAELP CC[C@H](C)n1ncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000358763186 465307889 /nfs/dbraw/zinc/30/78/89/465307889.db2.gz BHHLAEXHNIXMDJ-HNNXBMFYSA-N 2 2 349.523 2.261 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000298482605 465407594 /nfs/dbraw/zinc/40/75/94/465407594.db2.gz PYBROIICDXUYCD-UHFFFAOYSA-N 2 2 341.459 2.239 10 0 EEAELP C[N@H+](CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCSC1 ZINC000153975697 462715089 /nfs/dbraw/zinc/71/50/89/462715089.db2.gz HNDLSOPHSKMNLI-ZDUSSCGKSA-N 2 2 338.864 2.041 10 0 EEAELP C[N@@H+](CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCSC1 ZINC000153975697 462715093 /nfs/dbraw/zinc/71/50/93/462715093.db2.gz HNDLSOPHSKMNLI-ZDUSSCGKSA-N 2 2 338.864 2.041 10 0 EEAELP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CCO1 ZINC000116792905 462775756 /nfs/dbraw/zinc/77/57/56/462775756.db2.gz YHADRBMAWCJDRW-GOSISDBHSA-N 2 2 341.411 2.277 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000052520028 463084159 /nfs/dbraw/zinc/08/41/59/463084159.db2.gz SLWGWHHQFALNHI-CJNGLKHVSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000052520028 463084163 /nfs/dbraw/zinc/08/41/63/463084163.db2.gz SLWGWHHQFALNHI-CJNGLKHVSA-N 2 2 345.422 2.042 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000136331591 463235068 /nfs/dbraw/zinc/23/50/68/463235068.db2.gz DAFCGRVTROENIP-MRXNPFEDSA-N 2 2 347.507 2.257 10 0 EEAELP CC[C@@H](O)C[NH+]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000123546901 463349908 /nfs/dbraw/zinc/34/99/08/463349908.db2.gz DMTJXGMSLVFYKH-LJQANCHMSA-N 2 2 328.460 2.069 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000123783818 463368613 /nfs/dbraw/zinc/36/86/13/463368613.db2.gz FLABFJBFURBTKC-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000123783818 463368619 /nfs/dbraw/zinc/36/86/19/463368619.db2.gz FLABFJBFURBTKC-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000161718574 463453033 /nfs/dbraw/zinc/45/30/33/463453033.db2.gz GNCCERSXRXIZFL-LJQANCHMSA-N 3 2 333.524 2.074 10 0 EEAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000161718574 463453037 /nfs/dbraw/zinc/45/30/37/463453037.db2.gz GNCCERSXRXIZFL-LJQANCHMSA-N 3 2 333.524 2.074 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC000072255128 463488515 /nfs/dbraw/zinc/48/85/15/463488515.db2.gz OHYOTHRSQXJLNA-MJGOQNOKSA-N 2 2 338.455 2.460 10 0 EEAELP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000072274097 463491983 /nfs/dbraw/zinc/49/19/83/463491983.db2.gz YNWSMZYHQSCXNK-AEFFLSMTSA-N 2 2 326.444 2.397 10 0 EEAELP Cc1nc(N2CCN(CC[N@@H+](C)Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000162877338 463545960 /nfs/dbraw/zinc/54/59/60/463545960.db2.gz MXGUJGTWIPRUAM-UHFFFAOYSA-N 2 2 343.450 2.178 10 0 EEAELP Cc1nc(N2CCN(CC[N@H+](C)Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000162877338 463545965 /nfs/dbraw/zinc/54/59/65/463545965.db2.gz MXGUJGTWIPRUAM-UHFFFAOYSA-N 2 2 343.450 2.178 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc2c1OCCO2 ZINC000083921497 463566954 /nfs/dbraw/zinc/56/69/54/463566954.db2.gz QZCAXJQAKVRDTA-AWEZNQCLSA-N 2 2 329.400 2.330 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000568659783 468370646 /nfs/dbraw/zinc/37/06/46/468370646.db2.gz JSKGKWLMOPBPIX-TWMKSMIVSA-N 2 2 340.508 2.274 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000568659783 468370649 /nfs/dbraw/zinc/37/06/49/468370649.db2.gz JSKGKWLMOPBPIX-TWMKSMIVSA-N 2 2 340.508 2.274 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000568659783 468370652 /nfs/dbraw/zinc/37/06/52/468370652.db2.gz JSKGKWLMOPBPIX-TWMKSMIVSA-N 2 2 340.508 2.274 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000568659783 468370656 /nfs/dbraw/zinc/37/06/56/468370656.db2.gz JSKGKWLMOPBPIX-TWMKSMIVSA-N 2 2 340.508 2.274 10 0 EEAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261922823 463901384 /nfs/dbraw/zinc/90/13/84/463901384.db2.gz KQCPTGHWVQFCKZ-HZPDHXFCSA-N 3 2 334.533 2.429 10 0 EEAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261922823 463901389 /nfs/dbraw/zinc/90/13/89/463901389.db2.gz KQCPTGHWVQFCKZ-HZPDHXFCSA-N 3 2 334.533 2.429 10 0 EEAELP CCCOc1cccc2c(NC[C@@H](O)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000194697799 463910875 /nfs/dbraw/zinc/91/08/75/463910875.db2.gz MRCOTINOHSXLHG-OAHLLOKOSA-N 2 2 345.443 2.129 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCn1cnc2ccccc2c1=O ZINC000178755593 463963628 /nfs/dbraw/zinc/96/36/28/463963628.db2.gz MBOLTEDKXFWUFI-INIZCTEOSA-N 2 2 337.427 2.066 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCn1cnc2ccccc2c1=O ZINC000178755593 463963632 /nfs/dbraw/zinc/96/36/32/463963632.db2.gz MBOLTEDKXFWUFI-INIZCTEOSA-N 2 2 337.427 2.066 10 0 EEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000263312052 464083577 /nfs/dbraw/zinc/08/35/77/464083577.db2.gz YVYPXTOQUYSAKG-HUUCEWRRSA-N 2 2 329.435 2.098 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1 ZINC000187009861 464090439 /nfs/dbraw/zinc/09/04/39/464090439.db2.gz MKEMDVQNGXCBBW-PBHICJAKSA-N 2 2 335.496 2.148 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1 ZINC000187009861 464090446 /nfs/dbraw/zinc/09/04/46/464090446.db2.gz MKEMDVQNGXCBBW-PBHICJAKSA-N 2 2 335.496 2.148 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000179434850 464134567 /nfs/dbraw/zinc/13/45/67/464134567.db2.gz QBUKHZYMTFKUNI-CVEARBPZSA-N 2 2 347.434 2.254 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000179434850 464134575 /nfs/dbraw/zinc/13/45/75/464134575.db2.gz QBUKHZYMTFKUNI-CVEARBPZSA-N 2 2 347.434 2.254 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292256986 464175252 /nfs/dbraw/zinc/17/52/52/464175252.db2.gz YELFHTWEUDZAHX-KBXCAEBGSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292256986 464175256 /nfs/dbraw/zinc/17/52/56/464175256.db2.gz YELFHTWEUDZAHX-KBXCAEBGSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292256986 464175260 /nfs/dbraw/zinc/17/52/60/464175260.db2.gz YELFHTWEUDZAHX-KBXCAEBGSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292256986 464175265 /nfs/dbraw/zinc/17/52/65/464175265.db2.gz YELFHTWEUDZAHX-KBXCAEBGSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H]([NH2+]CC(=O)Nc1nncs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647356 464358674 /nfs/dbraw/zinc/35/86/74/464358674.db2.gz HHOVVSDNGHCEJX-LLVKDONJSA-N 2 2 328.401 2.013 10 0 EEAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC[C@@H]1CCCO1 ZINC000180663990 464363290 /nfs/dbraw/zinc/36/32/90/464363290.db2.gz BQKUMQNJQVMEGK-MPGHIAIKSA-N 2 2 342.443 2.207 10 0 EEAELP CC(C)C[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784766 464394499 /nfs/dbraw/zinc/39/44/99/464394499.db2.gz PSPRMSQBKFXHSJ-IAGOWNOFSA-N 2 2 347.507 2.306 10 0 EEAELP C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180936120 464422851 /nfs/dbraw/zinc/42/28/51/464422851.db2.gz PSYLPGNIYWTATA-AWEZNQCLSA-N 2 2 337.512 2.386 10 0 EEAELP C[C@@H](c1nc(C(C)(C)C)no1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180936120 464422854 /nfs/dbraw/zinc/42/28/54/464422854.db2.gz PSYLPGNIYWTATA-AWEZNQCLSA-N 2 2 337.512 2.386 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000246046359 464535764 /nfs/dbraw/zinc/53/57/64/464535764.db2.gz OXJVWWOKQDXROS-RHSMWYFYSA-N 2 2 328.403 2.353 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000246046359 464535771 /nfs/dbraw/zinc/53/57/71/464535771.db2.gz OXJVWWOKQDXROS-RHSMWYFYSA-N 2 2 328.403 2.353 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272292723 464552416 /nfs/dbraw/zinc/55/24/16/464552416.db2.gz VKSFWOKEUZCUQM-GJZGRUSLSA-N 2 2 327.432 2.118 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272292723 464552419 /nfs/dbraw/zinc/55/24/19/464552419.db2.gz VKSFWOKEUZCUQM-GJZGRUSLSA-N 2 2 327.432 2.118 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265512129 464586883 /nfs/dbraw/zinc/58/68/83/464586883.db2.gz RENVKUTXHQRNOV-CYBMUJFWSA-N 2 2 330.407 2.433 10 0 EEAELP Cc1cn2cc(NC(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH+]1 ZINC000265718827 464658785 /nfs/dbraw/zinc/65/87/85/464658785.db2.gz NZJQTZSDZPHOSP-GASCZTMLSA-N 2 2 345.447 2.264 10 0 EEAELP Cc1cn2cc(NC(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH+]1 ZINC000265718827 464658788 /nfs/dbraw/zinc/65/87/88/464658788.db2.gz NZJQTZSDZPHOSP-GASCZTMLSA-N 2 2 345.447 2.264 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1F ZINC000182974449 464768964 /nfs/dbraw/zinc/76/89/64/464768964.db2.gz OKNRCUAJXHVURR-SJORKVTESA-N 2 2 342.480 2.333 10 0 EEAELP Cn1nccc1C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275508540 464777136 /nfs/dbraw/zinc/77/71/36/464777136.db2.gz CJXCPPMBSCVWOJ-HNNXBMFYSA-N 2 2 331.489 2.363 10 0 EEAELP Cn1nccc1C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275508540 464777140 /nfs/dbraw/zinc/77/71/40/464777140.db2.gz CJXCPPMBSCVWOJ-HNNXBMFYSA-N 2 2 331.489 2.363 10 0 EEAELP CCn1nccc1CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000276345622 464898188 /nfs/dbraw/zinc/89/81/88/464898188.db2.gz VDHOMKYTZJABIM-UHFFFAOYSA-N 2 2 341.503 2.479 10 0 EEAELP CCn1nccc1CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000276345622 464898191 /nfs/dbraw/zinc/89/81/91/464898191.db2.gz VDHOMKYTZJABIM-UHFFFAOYSA-N 2 2 341.503 2.479 10 0 EEAELP O=C(CC[NH2+][C@H]1CC[C@@H]1C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000338000937 465740107 /nfs/dbraw/zinc/74/01/07/465740107.db2.gz RRJLWJDMECITDK-MSOLQXFVSA-N 2 2 342.487 2.289 10 0 EEAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1C1CC1 ZINC000349190171 466011643 /nfs/dbraw/zinc/01/16/43/466011643.db2.gz MMFLVJHIFCYKDO-GDBMZVCRSA-N 2 2 329.444 2.462 10 0 EEAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc1C1CC1 ZINC000349190171 466011649 /nfs/dbraw/zinc/01/16/49/466011649.db2.gz MMFLVJHIFCYKDO-GDBMZVCRSA-N 2 2 329.444 2.462 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000361518636 466067330 /nfs/dbraw/zinc/06/73/30/466067330.db2.gz KKJMMCNTYHGNSF-OAHLLOKOSA-N 2 2 346.475 2.050 10 0 EEAELP Cc1ccc(CC[C@@H](C)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)o1 ZINC000372047730 466134574 /nfs/dbraw/zinc/13/45/74/466134574.db2.gz UALIDIIMZSZUES-QGZVFWFLSA-N 2 2 349.519 2.295 10 0 EEAELP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)o1 ZINC000372047730 466134583 /nfs/dbraw/zinc/13/45/83/466134583.db2.gz UALIDIIMZSZUES-QGZVFWFLSA-N 2 2 349.519 2.295 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1scnc1C1CC1 ZINC000340917294 466432978 /nfs/dbraw/zinc/43/29/78/466432978.db2.gz VBDYAZCWYHMRIM-UHFFFAOYSA-N 2 2 336.505 2.119 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1scnc1C1CC1 ZINC000340917294 466432983 /nfs/dbraw/zinc/43/29/83/466432983.db2.gz VBDYAZCWYHMRIM-UHFFFAOYSA-N 2 2 336.505 2.119 10 0 EEAELP c1[nH]nc2c1[C@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000367626261 466458962 /nfs/dbraw/zinc/45/89/62/466458962.db2.gz NSBDKLSPIUYOGI-GOSISDBHSA-N 2 2 326.444 2.409 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358238579 466564294 /nfs/dbraw/zinc/56/42/94/466564294.db2.gz RBQQGIIPJFNLRG-UHFFFAOYSA-N 2 2 333.480 2.069 10 0 EEAELP Cn1cc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccc(F)cc21 ZINC000423044301 466689929 /nfs/dbraw/zinc/68/99/29/466689929.db2.gz AFIUVMFGUZFYJI-MOPGFXCFSA-N 2 2 331.435 2.217 10 0 EEAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000423200519 466695435 /nfs/dbraw/zinc/69/54/35/466695435.db2.gz MHQYKRDZGYSQLY-AWEZNQCLSA-N 2 2 339.505 2.297 10 0 EEAELP CCOC(=O)C1CCC(Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)CC1 ZINC000423234198 466701630 /nfs/dbraw/zinc/70/16/30/466701630.db2.gz PERJISSUVYGZNS-UHFFFAOYSA-N 2 2 332.448 2.025 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)CC2 ZINC000373308108 466761559 /nfs/dbraw/zinc/76/15/59/466761559.db2.gz ZPDKNYYQRNYCIX-KSSFIOAISA-N 2 2 333.480 2.227 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)[NH3+])c(C)c1 ZINC000417931543 466990554 /nfs/dbraw/zinc/99/05/54/466990554.db2.gz LLRCKOGXYJOFHW-INIZCTEOSA-N 2 2 329.448 2.278 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417944133 466997165 /nfs/dbraw/zinc/99/71/65/466997165.db2.gz PPBDBFHWJYVZBU-NBLIUIFLSA-N 2 2 342.846 2.259 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417944133 466997169 /nfs/dbraw/zinc/99/71/69/466997169.db2.gz PPBDBFHWJYVZBU-NBLIUIFLSA-N 2 2 342.846 2.259 10 0 EEAELP C[C@H](O)[C@H]1CCN(c2cc(NCC[N@H+](C)C3CCCCC3)nc[nH+]2)C1 ZINC000413084269 467167516 /nfs/dbraw/zinc/16/75/16/467167516.db2.gz MYWFFUYSYWRGCL-HOTGVXAUSA-N 2 2 347.507 2.360 10 0 EEAELP C[C@H](O)[C@H]1CCN(c2cc(NCC[N@@H+](C)C3CCCCC3)nc[nH+]2)C1 ZINC000413084269 467167518 /nfs/dbraw/zinc/16/75/18/467167518.db2.gz MYWFFUYSYWRGCL-HOTGVXAUSA-N 2 2 347.507 2.360 10 0 EEAELP C[C@@H]([NH2+][C@H]1CC2CCC1CC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433066751 467288741 /nfs/dbraw/zinc/28/87/41/467288741.db2.gz KSJQMPLGSXOSAH-CPFNUKBASA-N 2 2 342.487 2.287 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452079912 467314965 /nfs/dbraw/zinc/31/49/65/467314965.db2.gz GJPACCRXJGSWGL-INIZCTEOSA-N 2 2 344.459 2.091 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452079912 467314967 /nfs/dbraw/zinc/31/49/67/467314967.db2.gz GJPACCRXJGSWGL-INIZCTEOSA-N 2 2 344.459 2.091 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1 ZINC000420298146 467342957 /nfs/dbraw/zinc/34/29/57/467342957.db2.gz GVLQRERPFJBQOK-INIZCTEOSA-N 2 2 333.476 2.069 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1 ZINC000420298146 467342961 /nfs/dbraw/zinc/34/29/61/467342961.db2.gz GVLQRERPFJBQOK-INIZCTEOSA-N 2 2 333.476 2.069 10 0 EEAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000420363402 467378812 /nfs/dbraw/zinc/37/88/12/467378812.db2.gz IBDXLRYTNRLNAD-LJQANCHMSA-N 2 2 347.528 2.361 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000420363402 467378816 /nfs/dbraw/zinc/37/88/16/467378816.db2.gz IBDXLRYTNRLNAD-LJQANCHMSA-N 2 2 347.528 2.361 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420382382 467387960 /nfs/dbraw/zinc/38/79/60/467387960.db2.gz SCYQHGTVCNNIEV-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420382382 467387961 /nfs/dbraw/zinc/38/79/61/467387961.db2.gz SCYQHGTVCNNIEV-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000435055283 467444234 /nfs/dbraw/zinc/44/42/34/467444234.db2.gz BKUULQRUNFSDAW-UHFFFAOYSA-N 2 2 343.475 2.118 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC000435055283 467444237 /nfs/dbraw/zinc/44/42/37/467444237.db2.gz BKUULQRUNFSDAW-UHFFFAOYSA-N 2 2 343.475 2.118 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000435055283 467444241 /nfs/dbraw/zinc/44/42/41/467444241.db2.gz BKUULQRUNFSDAW-UHFFFAOYSA-N 2 2 343.475 2.118 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000435055283 467444244 /nfs/dbraw/zinc/44/42/44/467444244.db2.gz BKUULQRUNFSDAW-UHFFFAOYSA-N 2 2 343.475 2.118 10 0 EEAELP COCC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414882575 467445276 /nfs/dbraw/zinc/44/52/76/467445276.db2.gz LPLFSIFRWFMDDF-NSHDSACASA-N 2 2 333.245 2.345 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453104228 467461203 /nfs/dbraw/zinc/46/12/03/467461203.db2.gz FFCLGKUYRRWNPT-PXAZEXFGSA-N 2 2 328.395 2.464 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453104228 467461205 /nfs/dbraw/zinc/46/12/05/467461205.db2.gz FFCLGKUYRRWNPT-PXAZEXFGSA-N 2 2 328.395 2.464 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453104228 467461208 /nfs/dbraw/zinc/46/12/08/467461208.db2.gz FFCLGKUYRRWNPT-PXAZEXFGSA-N 2 2 328.395 2.464 10 0 EEAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389464 467635944 /nfs/dbraw/zinc/63/59/44/467635944.db2.gz DBFJFJQXDYDXEJ-IBGZPJMESA-N 2 2 342.487 2.426 10 0 EEAELP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389464 467635945 /nfs/dbraw/zinc/63/59/45/467635945.db2.gz DBFJFJQXDYDXEJ-IBGZPJMESA-N 2 2 342.487 2.426 10 0 EEAELP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1O ZINC000449391387 467636144 /nfs/dbraw/zinc/63/61/44/467636144.db2.gz IEZXQWABBMTRHC-NVXWUHKLSA-N 2 2 336.476 2.158 10 0 EEAELP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1O ZINC000449391387 467636146 /nfs/dbraw/zinc/63/61/46/467636146.db2.gz IEZXQWABBMTRHC-NVXWUHKLSA-N 2 2 336.476 2.158 10 0 EEAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449390188 467636431 /nfs/dbraw/zinc/63/64/31/467636431.db2.gz GDTNYYISADMULP-KRWDZBQOSA-N 2 2 344.459 2.022 10 0 EEAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000449390188 467636432 /nfs/dbraw/zinc/63/64/32/467636432.db2.gz GDTNYYISADMULP-KRWDZBQOSA-N 2 2 344.459 2.022 10 0 EEAELP O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000449432882 467644543 /nfs/dbraw/zinc/64/45/43/467644543.db2.gz JRYZZUJCHCMAQY-QXAKKESOSA-N 2 2 327.428 2.234 10 0 EEAELP O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000449432882 467644545 /nfs/dbraw/zinc/64/45/45/467644545.db2.gz JRYZZUJCHCMAQY-QXAKKESOSA-N 2 2 327.428 2.234 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000459002537 467935357 /nfs/dbraw/zinc/93/53/57/467935357.db2.gz DMPNKSXAIUQCAR-UHFFFAOYSA-N 2 2 347.438 2.316 10 0 EEAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCCCn1cc[nH+]c1 ZINC000518363668 468112946 /nfs/dbraw/zinc/11/29/46/468112946.db2.gz IBRAWFXUTRJBKV-GOSISDBHSA-N 2 2 343.475 2.135 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000519013781 468136420 /nfs/dbraw/zinc/13/64/20/468136420.db2.gz CXXIQBBPZLIOOA-DOTOQJQBSA-N 2 2 337.414 2.168 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000519013781 468136422 /nfs/dbraw/zinc/13/64/22/468136422.db2.gz CXXIQBBPZLIOOA-DOTOQJQBSA-N 2 2 337.414 2.168 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)CCC2 ZINC000594494778 468608026 /nfs/dbraw/zinc/60/80/26/468608026.db2.gz FZRFSFYZJHELBU-DNVCBOLYSA-N 2 2 346.471 2.409 10 0 EEAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000570251315 468611190 /nfs/dbraw/zinc/61/11/90/468611190.db2.gz NXIVLKSADGYSDM-KNBMTAEXSA-N 2 2 340.471 2.319 10 0 EEAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000570251315 468611193 /nfs/dbraw/zinc/61/11/93/468611193.db2.gz NXIVLKSADGYSDM-KNBMTAEXSA-N 2 2 340.471 2.319 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000570564059 468657226 /nfs/dbraw/zinc/65/72/26/468657226.db2.gz FWIPKUMBAUDGBW-LEWJYISDSA-N 2 2 342.483 2.444 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000570564059 468657232 /nfs/dbraw/zinc/65/72/32/468657232.db2.gz FWIPKUMBAUDGBW-LEWJYISDSA-N 2 2 342.483 2.444 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C[N@@H+]1C1CC1 ZINC000592372373 468684471 /nfs/dbraw/zinc/68/44/71/468684471.db2.gz HFPJQALVOYNUEM-HUUCEWRRSA-N 2 2 338.492 2.340 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C[N@H+]1C1CC1 ZINC000592372373 468684475 /nfs/dbraw/zinc/68/44/75/468684475.db2.gz HFPJQALVOYNUEM-HUUCEWRRSA-N 2 2 338.492 2.340 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1C ZINC000583441447 468698132 /nfs/dbraw/zinc/69/81/32/468698132.db2.gz FUQFPLOLQSCVCK-ZVZYQTTQSA-N 2 2 335.467 2.159 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000583679159 468739152 /nfs/dbraw/zinc/73/91/52/468739152.db2.gz YOLVARAOKZQPLG-IBGZPJMESA-N 2 2 328.504 2.172 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000583679159 468739156 /nfs/dbraw/zinc/73/91/56/468739156.db2.gz YOLVARAOKZQPLG-IBGZPJMESA-N 2 2 328.504 2.172 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000584872766 468952158 /nfs/dbraw/zinc/95/21/58/468952158.db2.gz HDAREZQLZSDUAC-SJLPKXTDSA-N 2 2 326.444 2.395 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000584872766 468952162 /nfs/dbraw/zinc/95/21/62/468952162.db2.gz HDAREZQLZSDUAC-SJLPKXTDSA-N 2 2 326.444 2.395 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000584872783 468952313 /nfs/dbraw/zinc/95/23/13/468952313.db2.gz IRGDHLWEUQOHEF-RHSMWYFYSA-N 2 2 345.422 2.008 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000584872783 468952317 /nfs/dbraw/zinc/95/23/17/468952317.db2.gz IRGDHLWEUQOHEF-RHSMWYFYSA-N 2 2 345.422 2.008 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000588969353 469184267 /nfs/dbraw/zinc/18/42/67/469184267.db2.gz GQJWSFLVZJMRQE-HZPDHXFCSA-N 2 2 347.507 2.387 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331310 469470484 /nfs/dbraw/zinc/47/04/84/469470484.db2.gz DCKGLLACLNPAQL-VQIMIIECSA-N 2 2 344.503 2.202 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331310 469470487 /nfs/dbraw/zinc/47/04/87/469470487.db2.gz DCKGLLACLNPAQL-VQIMIIECSA-N 2 2 344.503 2.202 10 0 EEAELP CCC1([NH+]2CCOCC2)CCN(Cc2[nH+]ccc(OC)c2OC)CC1 ZINC000626089608 469499401 /nfs/dbraw/zinc/49/94/01/469499401.db2.gz XQCWKAAWRSCAAH-UHFFFAOYSA-N 2 2 349.475 2.176 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000629585054 469585000 /nfs/dbraw/zinc/58/50/00/469585000.db2.gz YVZXUJKTMZZYAB-YSIASYRMSA-N 2 2 327.472 2.112 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)N[C@H]1CCCc3ccccc31)C2 ZINC000629585054 469585004 /nfs/dbraw/zinc/58/50/04/469585004.db2.gz YVZXUJKTMZZYAB-YSIASYRMSA-N 2 2 327.472 2.112 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592866 469588562 /nfs/dbraw/zinc/58/85/62/469588562.db2.gz FOUUBVIEYUCSIR-YTQUADARSA-N 2 2 331.460 2.344 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592866 469588565 /nfs/dbraw/zinc/58/85/65/469588565.db2.gz FOUUBVIEYUCSIR-YTQUADARSA-N 2 2 331.460 2.344 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613273845 469675230 /nfs/dbraw/zinc/67/52/30/469675230.db2.gz YGQJZMXCNVZGBR-GDBMZVCRSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613273845 469675234 /nfs/dbraw/zinc/67/52/34/469675234.db2.gz YGQJZMXCNVZGBR-GDBMZVCRSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613273845 469675240 /nfs/dbraw/zinc/67/52/40/469675240.db2.gz YGQJZMXCNVZGBR-GDBMZVCRSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613273845 469675243 /nfs/dbraw/zinc/67/52/43/469675243.db2.gz YGQJZMXCNVZGBR-GDBMZVCRSA-N 2 2 326.444 2.151 10 0 EEAELP Cc1ccc(C2(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC2)cc1 ZINC000617763581 469796096 /nfs/dbraw/zinc/79/60/96/469796096.db2.gz VNWCUVDYQMMLRD-UHFFFAOYSA-N 2 2 331.504 2.416 10 0 EEAELP Cc1ccc(C2(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC2)cc1 ZINC000617763581 469796100 /nfs/dbraw/zinc/79/61/00/469796100.db2.gz VNWCUVDYQMMLRD-UHFFFAOYSA-N 2 2 331.504 2.416 10 0 EEAELP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1c(F)cccc1F ZINC000617765822 469797637 /nfs/dbraw/zinc/79/76/37/469797637.db2.gz RIXWEWHRVYUBPW-ZDUSSCGKSA-N 2 2 327.419 2.068 10 0 EEAELP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1c(F)cccc1F ZINC000617765822 469797639 /nfs/dbraw/zinc/79/76/39/469797639.db2.gz RIXWEWHRVYUBPW-ZDUSSCGKSA-N 2 2 327.419 2.068 10 0 EEAELP Cc1nc2cc(F)ccc2cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767791 469798538 /nfs/dbraw/zinc/79/85/38/469798538.db2.gz CRFCPRYZZKMOTD-UHFFFAOYSA-N 2 2 346.450 2.296 10 0 EEAELP Cc1nc2cc(F)ccc2cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767791 469798540 /nfs/dbraw/zinc/79/85/40/469798540.db2.gz CRFCPRYZZKMOTD-UHFFFAOYSA-N 2 2 346.450 2.296 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)c(F)cc1Cl ZINC000617768926 469798547 /nfs/dbraw/zinc/79/85/47/469798547.db2.gz ZPGKAORUBTUCOH-UHFFFAOYSA-N 2 2 333.810 2.232 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)c(F)cc1Cl ZINC000617768926 469798550 /nfs/dbraw/zinc/79/85/50/469798550.db2.gz ZPGKAORUBTUCOH-UHFFFAOYSA-N 2 2 333.810 2.232 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1c[nH]c2ccccc12 ZINC000617768771 469798637 /nfs/dbraw/zinc/79/86/37/469798637.db2.gz UHQRPLNJIKTVNQ-UHFFFAOYSA-N 2 2 330.476 2.100 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1c[nH]c2ccccc12 ZINC000617768771 469798645 /nfs/dbraw/zinc/79/86/45/469798645.db2.gz UHQRPLNJIKTVNQ-UHFFFAOYSA-N 2 2 330.476 2.100 10 0 EEAELP Cc1ncc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)o1 ZINC000628175011 470070671 /nfs/dbraw/zinc/07/06/71/470070671.db2.gz GNOIXDRUEOCPKR-UHFFFAOYSA-N 2 2 344.459 2.246 10 0 EEAELP Cc1nc(C)c(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)o1 ZINC000628198910 470074222 /nfs/dbraw/zinc/07/42/22/470074222.db2.gz QZQPYJPDYXZTFX-HNNXBMFYSA-N 2 2 334.489 2.431 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000625257197 470106350 /nfs/dbraw/zinc/10/63/50/470106350.db2.gz XUKZLXCTAYMSHF-KGLIPLIRSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000625257197 470106352 /nfs/dbraw/zinc/10/63/52/470106352.db2.gz XUKZLXCTAYMSHF-KGLIPLIRSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000625257197 470106354 /nfs/dbraw/zinc/10/63/54/470106354.db2.gz XUKZLXCTAYMSHF-KGLIPLIRSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000625257197 470106356 /nfs/dbraw/zinc/10/63/56/470106356.db2.gz XUKZLXCTAYMSHF-KGLIPLIRSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000625421626 470141046 /nfs/dbraw/zinc/14/10/46/470141046.db2.gz BOWIECAHGNGASJ-PBWFPOADSA-N 2 2 335.414 2.344 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000625421626 470141050 /nfs/dbraw/zinc/14/10/50/470141050.db2.gz BOWIECAHGNGASJ-PBWFPOADSA-N 2 2 335.414 2.344 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000625421626 470141053 /nfs/dbraw/zinc/14/10/53/470141053.db2.gz BOWIECAHGNGASJ-PBWFPOADSA-N 2 2 335.414 2.344 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000625421626 470141055 /nfs/dbraw/zinc/14/10/55/470141055.db2.gz BOWIECAHGNGASJ-PBWFPOADSA-N 2 2 335.414 2.344 10 0 EEAELP CCC1([NH+](C)C)CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000631477769 470149276 /nfs/dbraw/zinc/14/92/76/470149276.db2.gz RLFRVLBKOBNYCL-INIZCTEOSA-N 2 2 347.507 2.138 10 0 EEAELP CCC1([NH+](C)C)CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000631477769 470149280 /nfs/dbraw/zinc/14/92/80/470149280.db2.gz RLFRVLBKOBNYCL-INIZCTEOSA-N 2 2 347.507 2.138 10 0 EEAELP CC[N@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631557987 470172152 /nfs/dbraw/zinc/17/21/52/470172152.db2.gz IJDBXRJUKVILNP-QGZVFWFLSA-N 2 2 326.444 2.215 10 0 EEAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631557987 470172153 /nfs/dbraw/zinc/17/21/53/470172153.db2.gz IJDBXRJUKVILNP-QGZVFWFLSA-N 2 2 326.444 2.215 10 0 EEAELP C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1C[NH3+] ZINC000631837654 470186560 /nfs/dbraw/zinc/18/65/60/470186560.db2.gz VNPRPYLMUGILEU-HFAKWTLXSA-N 2 2 325.815 2.111 10 0 EEAELP C[C@@H]1C[N@H+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1C[NH3+] ZINC000631837654 470186561 /nfs/dbraw/zinc/18/65/61/470186561.db2.gz VNPRPYLMUGILEU-HFAKWTLXSA-N 2 2 325.815 2.111 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888305 470189652 /nfs/dbraw/zinc/18/96/52/470189652.db2.gz UZCCQVIOMZLXEK-HKUYNNGSSA-N 2 2 345.487 2.166 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631888305 470189653 /nfs/dbraw/zinc/18/96/53/470189653.db2.gz UZCCQVIOMZLXEK-HKUYNNGSSA-N 2 2 345.487 2.166 10 0 EEAELP [NH3+][C@H]1CCCCCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000632905537 470285312 /nfs/dbraw/zinc/28/53/12/470285312.db2.gz UWCDUZRITIGYEO-KRWDZBQOSA-N 2 2 346.475 2.254 10 0 EEAELP OC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000634719896 470286037 /nfs/dbraw/zinc/28/60/37/470286037.db2.gz BBYYZFDESKIIJW-QZTJIDSGSA-N 2 2 332.469 2.008 10 0 EEAELP OC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000634719896 470286039 /nfs/dbraw/zinc/28/60/39/470286039.db2.gz BBYYZFDESKIIJW-QZTJIDSGSA-N 2 2 332.469 2.008 10 0 EEAELP Cc1cc(N)cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000632969388 470302320 /nfs/dbraw/zinc/30/23/20/470302320.db2.gz RCPRQBOCCHTIOX-UHFFFAOYSA-N 2 2 345.491 2.257 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)[nH+]c12 ZINC000649335872 470549449 /nfs/dbraw/zinc/54/94/49/470549449.db2.gz HDVXRBALJOQULS-XIRDDKMYSA-N 2 2 326.444 2.222 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCC[C@H](CO)C3)c2cc1C ZINC000647526872 470922238 /nfs/dbraw/zinc/92/22/38/470922238.db2.gz PFBBZKNOGDAACO-YESZJQIVSA-N 2 2 331.460 2.155 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000647899765 471011494 /nfs/dbraw/zinc/01/14/94/471011494.db2.gz VONGKCLGTQHEEF-YBQNFFGRSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000647899765 471011497 /nfs/dbraw/zinc/01/14/97/471011497.db2.gz VONGKCLGTQHEEF-YBQNFFGRSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000647899763 471011766 /nfs/dbraw/zinc/01/17/66/471011766.db2.gz VONGKCLGTQHEEF-LWJCUCHCSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000647899763 471011768 /nfs/dbraw/zinc/01/17/68/471011768.db2.gz VONGKCLGTQHEEF-LWJCUCHCSA-N 2 2 345.531 2.391 10 0 EEAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000657357433 471111549 /nfs/dbraw/zinc/11/15/49/471111549.db2.gz NZGKBNQLQAJBCQ-QGZVFWFLSA-N 2 2 330.501 2.454 10 0 EEAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000657357433 471111557 /nfs/dbraw/zinc/11/15/57/471111557.db2.gz NZGKBNQLQAJBCQ-QGZVFWFLSA-N 2 2 330.501 2.454 10 0 EEAELP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000651865828 471149655 /nfs/dbraw/zinc/14/96/55/471149655.db2.gz JAXCNHOZYBAHGG-MRXNPFEDSA-N 2 2 326.506 2.416 10 0 EEAELP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000651865828 471149662 /nfs/dbraw/zinc/14/96/62/471149662.db2.gz JAXCNHOZYBAHGG-MRXNPFEDSA-N 2 2 326.506 2.416 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000652288192 471267529 /nfs/dbraw/zinc/26/75/29/471267529.db2.gz YQYFPQBNTGBMEH-QAPCUYQASA-N 2 2 341.459 2.395 10 0 EEAELP Cc1n[nH]c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341464 471273961 /nfs/dbraw/zinc/27/39/61/471273961.db2.gz SDMAQWAXEQTTBP-SFHVURJKSA-N 2 2 326.444 2.246 10 0 EEAELP Cc1n[nH]c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341464 471273963 /nfs/dbraw/zinc/27/39/63/471273963.db2.gz SDMAQWAXEQTTBP-SFHVURJKSA-N 2 2 326.444 2.246 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000660434082 471339719 /nfs/dbraw/zinc/33/97/19/471339719.db2.gz PCZLEIVLGOOCSZ-INIZCTEOSA-N 2 2 345.491 2.222 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000660434082 471339725 /nfs/dbraw/zinc/33/97/25/471339725.db2.gz PCZLEIVLGOOCSZ-INIZCTEOSA-N 2 2 345.491 2.222 10 0 EEAELP CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[N@H+](C)C1 ZINC000663534461 471415715 /nfs/dbraw/zinc/41/57/15/471415715.db2.gz NCHRTLYDASTCGC-SFHVURJKSA-N 2 2 341.459 2.167 10 0 EEAELP CCN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CC[N@@H+](C)C1 ZINC000663534461 471415721 /nfs/dbraw/zinc/41/57/21/471415721.db2.gz NCHRTLYDASTCGC-SFHVURJKSA-N 2 2 341.459 2.167 10 0 EEAELP O=C(Nc1ccccc1)C1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655756513 471471863 /nfs/dbraw/zinc/47/18/63/471471863.db2.gz UKZOEQJEDJSRRV-KRWDZBQOSA-N 2 2 329.444 2.001 10 0 EEAELP CCCCc1[nH]c2ccc(NC(=O)[C@]34C[NH2+]C[C@H]3COC4)cc2[nH+]1 ZINC000653110383 471492533 /nfs/dbraw/zinc/49/25/33/471492533.db2.gz GIWOBDITFNXEPU-SGTLLEGYSA-N 2 2 328.416 2.080 10 0 EEAELP CCN(C(=O)NCc1cn2ccc(C)cc2[nH+]1)[C@H]1CC[N@H+](CC)C1 ZINC000663771600 471510582 /nfs/dbraw/zinc/51/05/82/471510582.db2.gz MTEDOBMKDXUJIU-INIZCTEOSA-N 2 2 329.448 2.268 10 0 EEAELP CCN(C(=O)NCc1cn2ccc(C)cc2[nH+]1)[C@H]1CC[N@@H+](CC)C1 ZINC000663771600 471510587 /nfs/dbraw/zinc/51/05/87/471510587.db2.gz MTEDOBMKDXUJIU-INIZCTEOSA-N 2 2 329.448 2.268 10 0 EEAELP CC1(O)CCN(c2cc(NC3CC([NH+]4CCCCC4)C3)nc[nH+]2)CC1 ZINC000663864132 471554485 /nfs/dbraw/zinc/55/44/85/471554485.db2.gz MPQFBVSWURALAU-UHFFFAOYSA-N 2 2 345.491 2.257 10 0 EEAELP CC1(O)CCN(c2cc(NC3CC([NH+]4CCCCC4)C3)[nH+]cn2)CC1 ZINC000663864132 471554488 /nfs/dbraw/zinc/55/44/88/471554488.db2.gz MPQFBVSWURALAU-UHFFFAOYSA-N 2 2 345.491 2.257 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000659327326 471583050 /nfs/dbraw/zinc/58/30/50/471583050.db2.gz BIAWKJSBQVCIPL-DWRORGKVSA-N 2 2 347.503 2.249 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000659327326 471583059 /nfs/dbraw/zinc/58/30/59/471583059.db2.gz BIAWKJSBQVCIPL-DWRORGKVSA-N 2 2 347.503 2.249 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000670077563 471670722 /nfs/dbraw/zinc/67/07/22/471670722.db2.gz FECJJFBLEPJQOT-UHFFFAOYSA-N 2 2 345.491 2.299 10 0 EEAELP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)c2[nH+]ccn2C)o1 ZINC000667256016 471710992 /nfs/dbraw/zinc/71/09/92/471710992.db2.gz BTMACESWFOGSNI-AWEZNQCLSA-N 2 2 333.436 2.156 10 0 EEAELP Cc1cc(N2CC[NH+](CCO[C@H]3CC3(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000659832797 471759400 /nfs/dbraw/zinc/75/94/00/471759400.db2.gz BTWBIQPHXKNTFA-AWEZNQCLSA-N 2 2 340.418 2.455 10 0 EEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@H]4COC[C@@H]4C3)C2)cc1 ZINC000662034186 471965913 /nfs/dbraw/zinc/96/59/13/471965913.db2.gz MZJAPATXYLFSLV-UFYCRDLUSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@H]4COC[C@@H]4C3)C2)cc1 ZINC000662034186 471965917 /nfs/dbraw/zinc/96/59/17/471965917.db2.gz MZJAPATXYLFSLV-UFYCRDLUSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@H]4COC[C@@H]4C3)C2)cc1 ZINC000662034186 471965921 /nfs/dbraw/zinc/96/59/21/471965921.db2.gz MZJAPATXYLFSLV-UFYCRDLUSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@H]4COC[C@@H]4C3)C2)cc1 ZINC000662034186 471965926 /nfs/dbraw/zinc/96/59/26/471965926.db2.gz MZJAPATXYLFSLV-UFYCRDLUSA-N 2 2 330.472 2.246 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662046754 471968484 /nfs/dbraw/zinc/96/84/84/471968484.db2.gz NPMTWIFWOJEVPQ-SFHVURJKSA-N 2 2 329.444 2.347 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2ccon2)CC1 ZINC000662046754 471968487 /nfs/dbraw/zinc/96/84/87/471968487.db2.gz NPMTWIFWOJEVPQ-SFHVURJKSA-N 2 2 329.444 2.347 10 0 EEAELP C[C@@H](CCNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C)[NH+](C)C ZINC000665231442 471975026 /nfs/dbraw/zinc/97/50/26/471975026.db2.gz MELHCCQEJBRQNZ-DOTOQJQBSA-N 2 2 343.475 2.343 10 0 EEAELP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1[nH+]ccn1C ZINC000662093749 471983322 /nfs/dbraw/zinc/98/33/22/471983322.db2.gz XKIBYTXUHLHNGO-CVEARBPZSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1[nH+]ccn1C ZINC000662093749 471983328 /nfs/dbraw/zinc/98/33/28/471983328.db2.gz XKIBYTXUHLHNGO-CVEARBPZSA-N 2 2 341.459 2.397 10 0 EEAELP CC(=O)c1ccccc1OCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318319 472067339 /nfs/dbraw/zinc/06/73/39/472067339.db2.gz YXWFZWYWDXLKCK-QGZVFWFLSA-N 2 2 334.460 2.311 10 0 EEAELP CC(=O)c1ccccc1OCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318319 472067343 /nfs/dbraw/zinc/06/73/43/472067343.db2.gz YXWFZWYWDXLKCK-QGZVFWFLSA-N 2 2 334.460 2.311 10 0 EEAELP CN(CC1CCCCC1)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322350 472070276 /nfs/dbraw/zinc/07/02/76/472070276.db2.gz VIXXCMZPLZXDDY-GOSISDBHSA-N 2 2 339.524 2.068 10 0 EEAELP CN(CC1CCCCC1)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322350 472070282 /nfs/dbraw/zinc/07/02/82/472070282.db2.gz VIXXCMZPLZXDDY-GOSISDBHSA-N 2 2 339.524 2.068 10 0 EEAELP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320430 472070391 /nfs/dbraw/zinc/07/03/91/472070391.db2.gz UGBZHFCMMQGMQW-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320430 472070396 /nfs/dbraw/zinc/07/03/96/472070396.db2.gz UGBZHFCMMQGMQW-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2ncsc2c1 ZINC000665558200 472093719 /nfs/dbraw/zinc/09/37/19/472093719.db2.gz PWJSKZSFBLXURX-UHFFFAOYSA-N 2 2 335.477 2.301 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2ncsc2c1 ZINC000665558200 472093724 /nfs/dbraw/zinc/09/37/24/472093724.db2.gz PWJSKZSFBLXURX-UHFFFAOYSA-N 2 2 335.477 2.301 10 0 EEAELP CC(C)OC1CC([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000668758585 472255764 /nfs/dbraw/zinc/25/57/64/472255764.db2.gz ACMRNIWPEXMMBP-GPJFCIFZSA-N 2 2 331.504 2.348 10 0 EEAELP CC(C)OC1CC([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000668758585 472255769 /nfs/dbraw/zinc/25/57/69/472255769.db2.gz ACMRNIWPEXMMBP-GPJFCIFZSA-N 2 2 331.504 2.348 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C(C)C ZINC000662825206 472267249 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2 2 337.508 2.009 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCO[C@H](CC)C1 ZINC000530026372 485530717 /nfs/dbraw/zinc/53/07/17/485530717.db2.gz HNNZEWHRHSGAJR-KZNAEPCWSA-N 2 2 337.508 2.009 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[NH+]1CCO[C@H](CC)C1 ZINC000530026372 485530722 /nfs/dbraw/zinc/53/07/22/485530722.db2.gz HNNZEWHRHSGAJR-KZNAEPCWSA-N 2 2 337.508 2.009 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000673862511 485559769 /nfs/dbraw/zinc/55/97/69/485559769.db2.gz LQEQLHOXRWKTHZ-CYBMUJFWSA-N 2 2 337.387 2.402 10 0 EEAELP Cc1cc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(C)o1 ZINC000683691970 485608082 /nfs/dbraw/zinc/60/80/82/485608082.db2.gz LYFIIBXDDNSDNQ-CJNGLKHVSA-N 2 2 330.432 2.472 10 0 EEAELP COc1cc(NC(=O)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000628316712 485712408 /nfs/dbraw/zinc/71/24/08/485712408.db2.gz GSWDBLJDDLHUPL-ZDUSSCGKSA-N 2 2 335.448 2.105 10 0 EEAELP 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485865705 /nfs/dbraw/zinc/86/57/05/485865705.db2.gz PTOPMWRHOUNMEN-MSOLQXFVSA-N 2 2 338.455 2.497 10 0 EEAELP CN(c1ccccc1C[NH2+][C@@H]1CCC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000675334160 485958905 /nfs/dbraw/zinc/95/89/05/485958905.db2.gz MUVVYSUQHYKEMP-GOSISDBHSA-N 3 2 330.520 2.401 10 0 EEAELP CN(c1ccccc1C[NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000675334160 485958910 /nfs/dbraw/zinc/95/89/10/485958910.db2.gz MUVVYSUQHYKEMP-GOSISDBHSA-N 3 2 330.520 2.401 10 0 EEAELP C[NH+]1CCN(c2cccc(Cl)c2CN[C@H]2CCC[N@H+](C)C2)CC1 ZINC000678359576 486623326 /nfs/dbraw/zinc/62/33/26/486623326.db2.gz UNAKAPGUPQBDEU-HNNXBMFYSA-N 2 2 336.911 2.276 10 0 EEAELP C[NH+]1CCN(c2cccc(Cl)c2CN[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678359576 486623329 /nfs/dbraw/zinc/62/33/29/486623329.db2.gz UNAKAPGUPQBDEU-HNNXBMFYSA-N 2 2 336.911 2.276 10 0 EEAELP Brc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc2c1OCCO2 ZINC000415063626 526637787 /nfs/dbraw/zinc/63/77/87/526637787.db2.gz AQQJHBLVESNQAO-LBPRGKRZSA-N 2 2 341.249 2.452 10 0 EEAELP COc1ccc([C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422953296 536930012 /nfs/dbraw/zinc/93/00/12/536930012.db2.gz FDZQJZMNGNGZOK-WMZOPIPTSA-N 2 2 333.476 2.383 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c[nH+]1 ZINC000895797463 684729176 /nfs/dbraw/zinc/72/91/76/684729176.db2.gz FKAJKBKJXWXNRM-INIZCTEOSA-N 2 2 332.423 2.485 10 0 EEAELP Cc1ccc(N)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000262410568 685823327 /nfs/dbraw/zinc/82/33/27/685823327.db2.gz SMOHLCGVEHHFPC-UHFFFAOYSA-N 2 2 344.503 2.257 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@@H]1C(C)(C)C ZINC000898383709 693299673 /nfs/dbraw/zinc/29/96/73/693299673.db2.gz CDFGFQHLPCJJOF-QGZVFWFLSA-N 2 2 342.443 2.380 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@@H]1C(C)(C)C ZINC000898383709 693299676 /nfs/dbraw/zinc/29/96/76/693299676.db2.gz CDFGFQHLPCJJOF-QGZVFWFLSA-N 2 2 342.443 2.380 10 0 EEAELP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](CO)c2c[nH+]cn2C)cc1 ZINC000898884223 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EEAELP CCO[C@@H](C[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001481258785 1180497096 /nfs/dbraw/zinc/49/70/96/1180497096.db2.gz ACZAZEBOOADEJD-KRWDZBQOSA-N 2 2 333.476 2.484 10 0 EEAELP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001267839195 1180612313 /nfs/dbraw/zinc/61/23/13/1180612313.db2.gz KAYAZALBIMUTBH-GJZGRUSLSA-N 2 2 336.455 2.212 10 0 EEAELP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001267839197 1180613601 /nfs/dbraw/zinc/61/36/01/1180613601.db2.gz KAYAZALBIMUTBH-LSDHHAIUSA-N 2 2 336.455 2.212 10 0 EEAELP CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001481400127 1181212586 /nfs/dbraw/zinc/21/25/86/1181212586.db2.gz DHUSRKUQHDKIHP-IRXDYDNUSA-N 2 2 330.476 2.168 10 0 EEAELP CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001481400127 1181212592 /nfs/dbraw/zinc/21/25/92/1181212592.db2.gz DHUSRKUQHDKIHP-IRXDYDNUSA-N 2 2 330.476 2.168 10 0 EEAELP Cc1csc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001268159990 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2.476 10 0 EEAELP CCC[NH2+]CC[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481976726 1183073807 /nfs/dbraw/zinc/07/38/07/1183073807.db2.gz JPTGXTCQHNXSSY-MRXNPFEDSA-N 2 2 332.492 2.390 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001481988853 1183094095 /nfs/dbraw/zinc/09/40/95/1183094095.db2.gz LZPCVLLVHNDCOR-OAHLLOKOSA-N 2 2 346.500 2.475 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001268561223 1183259460 /nfs/dbraw/zinc/25/94/60/1183259460.db2.gz OWIWTDFMXJVUIO-KZSQQDEKSA-N 2 2 344.484 2.278 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CCCC1CCC1 ZINC001482117211 1183350018 /nfs/dbraw/zinc/35/00/18/1183350018.db2.gz GJBFEOGCWZROHJ-RDJZCZTQSA-N 2 2 332.492 2.368 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccnc(Cl)c1)NC(=O)CCCn1cc[nH+]c1 ZINC001268760791 1183681304 /nfs/dbraw/zinc/68/13/04/1183681304.db2.gz XQCLJGZMDUVYRL-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccnc(Cl)c1)NC(=O)CCCn1cc[nH+]c1 ZINC001268760791 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JDPIZQMELLOZQE-CQSZACIVSA-N 2 2 334.851 2.264 10 0 EEAELP Cc1noc(C)c1C[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001409272981 1188523026 /nfs/dbraw/zinc/52/30/26/1188523026.db2.gz MMSQGVUADQTBMK-JQRITLKVSA-N 2 2 345.447 2.124 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483145001 1188761937 /nfs/dbraw/zinc/76/19/37/1188761937.db2.gz TYYPTGKENQYRCQ-CABCVRRESA-N 2 2 344.434 2.188 10 0 EEAELP CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001272894658 1193594424 /nfs/dbraw/zinc/59/44/24/1193594424.db2.gz SQFBQMXQTDZTNE-GOSISDBHSA-N 2 2 339.524 2.116 10 0 EEAELP CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001272894658 1193594426 /nfs/dbraw/zinc/59/44/26/1193594426.db2.gz SQFBQMXQTDZTNE-GOSISDBHSA-N 2 2 339.524 2.116 10 0 EEAELP CC(C)c1ocnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001409388643 1189610232 /nfs/dbraw/zinc/61/02/32/1189610232.db2.gz SWPHZWMUUZUURF-ZIAGYGMSSA-N 2 2 333.436 2.068 10 0 EEAELP 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C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001490722069 1291606159 /nfs/dbraw/zinc/60/61/59/1291606159.db2.gz HZYYIWKUYMKXNH-BLLLJJGKSA-N 2 2 332.473 2.334 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001490722069 1291606170 /nfs/dbraw/zinc/60/61/70/1291606170.db2.gz HZYYIWKUYMKXNH-BLLLJJGKSA-N 2 2 332.473 2.334 10 0 EEAELP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000851846181 1291884015 /nfs/dbraw/zinc/88/40/15/1291884015.db2.gz PTJJNGAESMRPKN-QWHCGFSZSA-N 2 2 331.353 2.174 10 0 EEAELP CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000851846181 1291884028 /nfs/dbraw/zinc/88/40/28/1291884028.db2.gz PTJJNGAESMRPKN-QWHCGFSZSA-N 2 2 331.353 2.174 10 0 EEAELP COCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001277474046 1303555011 /nfs/dbraw/zinc/55/50/11/1303555011.db2.gz MROAPGLBOKXXPT-MJGOQNOKSA-N 2 2 348.491 2.185 10 0 EEAELP COCCC[N@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001277474046 1303555015 /nfs/dbraw/zinc/55/50/15/1303555015.db2.gz MROAPGLBOKXXPT-MJGOQNOKSA-N 2 2 348.491 2.185 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001263956100 1322568238 /nfs/dbraw/zinc/56/82/38/1322568238.db2.gz RCOQQLRAWONBPG-CZUORRHYSA-N 2 2 345.447 2.056 10 0 EEAELP CC(C)c1cnc(C[N@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C)o1 ZINC001265874833 1323447278 /nfs/dbraw/zinc/44/72/78/1323447278.db2.gz MNKLVJVQVZGZKF-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1cnc(C[N@@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C)o1 ZINC001265874833 1323447280 /nfs/dbraw/zinc/44/72/80/1323447280.db2.gz MNKLVJVQVZGZKF-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+](C)CCCNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001265874833 1323447283 /nfs/dbraw/zinc/44/72/83/1323447283.db2.gz MNKLVJVQVZGZKF-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+](C)CCCNC(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC001265874833 1323447286 /nfs/dbraw/zinc/44/72/86/1323447286.db2.gz MNKLVJVQVZGZKF-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266234427 1323816754 /nfs/dbraw/zinc/81/67/54/1323816754.db2.gz DMGJMQIZUSBXNX-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266234427 1323816763 /nfs/dbraw/zinc/81/67/63/1323816763.db2.gz DMGJMQIZUSBXNX-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP CCOCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001279125813 1323836560 /nfs/dbraw/zinc/83/65/60/1323836560.db2.gz RPQCOGWUOVCSDM-CVEARBPZSA-N 2 2 344.459 2.059 10 0 EEAELP CCCC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CCC1 ZINC001280480509 1324247180 /nfs/dbraw/zinc/24/71/80/1324247180.db2.gz QNTXUFHCOSFQPO-INIZCTEOSA-N 2 2 333.480 2.219 10 0 EEAELP CCCC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CCC1 ZINC001280480509 1324247188 /nfs/dbraw/zinc/24/71/88/1324247188.db2.gz QNTXUFHCOSFQPO-INIZCTEOSA-N 2 2 333.480 2.219 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001281476351 1325148058 /nfs/dbraw/zinc/14/80/58/1325148058.db2.gz RKWYTNOSYJYANJ-PKOBYXMFSA-N 2 2 340.471 2.261 10 0 EEAELP CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001283546092 1326124656 /nfs/dbraw/zinc/12/46/56/1326124656.db2.gz ZDCACEZZRNXDGJ-KRWDZBQOSA-N 2 2 328.460 2.422 10 0 EEAELP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001284085870 1326399742 /nfs/dbraw/zinc/39/97/42/1326399742.db2.gz JDMJMGHCFBHQNW-IXDOHACOSA-N 2 2 332.492 2.370 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001316632772 1326552603 /nfs/dbraw/zinc/55/26/03/1326552603.db2.gz IQZJDKIAPHXEIC-BRWVUGGUSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001284994624 1326817818 /nfs/dbraw/zinc/81/78/18/1326817818.db2.gz IYWRQTGLEQFLED-HUUCEWRRSA-N 2 2 348.516 2.264 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001284994624 1326817819 /nfs/dbraw/zinc/81/78/19/1326817819.db2.gz IYWRQTGLEQFLED-HUUCEWRRSA-N 2 2 348.516 2.264 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001491636040 1330192262 /nfs/dbraw/zinc/19/22/62/1330192262.db2.gz ARYFNDICFHUYKS-YJBOKZPZSA-N 2 2 344.459 2.270 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1cc(C)no1)c1ccccc1 ZINC001491636040 1330192264 /nfs/dbraw/zinc/19/22/64/1330192264.db2.gz ARYFNDICFHUYKS-YJBOKZPZSA-N 2 2 344.459 2.270 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)C/C=C\c1ccccc1 ZINC001316858056 1331587893 /nfs/dbraw/zinc/58/78/93/1331587893.db2.gz AUMOIRRKAMUWDQ-POHAHGRESA-N 2 2 326.444 2.114 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)C/C=C\c1ccccc1 ZINC001316858056 1331587895 /nfs/dbraw/zinc/58/78/95/1331587895.db2.gz AUMOIRRKAMUWDQ-POHAHGRESA-N 2 2 326.444 2.114 10 0 EEAELP Cc1cccc(C[N@H+](C)CCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001316831930 1331921184 /nfs/dbraw/zinc/92/11/84/1331921184.db2.gz NOLDMVPZPSZLQK-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001316831930 1331921185 /nfs/dbraw/zinc/92/11/85/1331921185.db2.gz NOLDMVPZPSZLQK-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP COCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317379483 1332205844 /nfs/dbraw/zinc/20/58/44/1332205844.db2.gz XEMYPPLAPYPIET-MRXNPFEDSA-N 2 2 344.459 2.297 10 0 EEAELP COCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317379483 1332205846 /nfs/dbraw/zinc/20/58/46/1332205846.db2.gz XEMYPPLAPYPIET-MRXNPFEDSA-N 2 2 344.459 2.297 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]Cc1ccc(C)c(C)c1 ZINC001317599398 1332318596 /nfs/dbraw/zinc/31/85/96/1332318596.db2.gz UNKSQERVZZUMMW-UHFFFAOYSA-N 2 2 341.455 2.498 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001318848474 1332610943 /nfs/dbraw/zinc/61/09/43/1332610943.db2.gz GMTCHPUKUNPDOI-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCc1ccc(C[NH2+]C/C=C/Cl)cc1 ZINC001319005474 1332635615 /nfs/dbraw/zinc/63/56/15/1332635615.db2.gz DFBQOPIZNPTNLZ-FARCUNLSSA-N 2 2 332.835 2.121 10 0 EEAELP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001319575110 1332722713 /nfs/dbraw/zinc/72/27/13/1332722713.db2.gz AIAGSRHKSFLKEV-AWEZNQCLSA-N 2 2 334.489 2.093 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319778796 1332765663 /nfs/dbraw/zinc/76/56/63/1332765663.db2.gz PAXAGAYHGHYDRO-QGZVFWFLSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2c(C)noc2C)c[nH+]1 ZINC001320464804 1332890618 /nfs/dbraw/zinc/89/06/18/1332890618.db2.gz SOWIYKSEEFPQKY-GFCCVEGCSA-N 2 2 347.463 2.216 10 0 EEAELP C[C@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1[nH+]ccn1C ZINC001320502183 1332898830 /nfs/dbraw/zinc/89/88/30/1332898830.db2.gz WXPLGKSFPNZMAJ-ZIAGYGMSSA-N 2 2 342.434 2.273 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001320621817 1332922548 /nfs/dbraw/zinc/92/25/48/1332922548.db2.gz FQOFYYDCWPNWFC-ZDUSSCGKSA-N 2 2 339.443 2.427 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1ccccc1F)[C@H]1CCn2c[nH+]cc2C1 ZINC001321128255 1333026670 /nfs/dbraw/zinc/02/66/70/1333026670.db2.gz VTKPZPLMJYIUBO-JZIMQPMSSA-N 2 2 342.418 2.047 10 0 EEAELP Cc1oncc1C[NH2+]C/C=C/CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001321418995 1333100338 /nfs/dbraw/zinc/10/03/38/1333100338.db2.gz NEXUUCIGFFLFLE-DVBCCOPCSA-N 2 2 342.443 2.048 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]CCc1ccccc1)C1CCCC1 ZINC001324518363 1333700340 /nfs/dbraw/zinc/70/03/40/1333700340.db2.gz SJXOAUNSXUEGFV-LJQANCHMSA-N 2 2 340.471 2.390 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001324668883 1333735790 /nfs/dbraw/zinc/73/57/90/1333735790.db2.gz JDLJCFZNJRRLSD-LJQANCHMSA-N 2 2 348.491 2.365 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001324668883 1333735792 /nfs/dbraw/zinc/73/57/92/1333735792.db2.gz JDLJCFZNJRRLSD-LJQANCHMSA-N 2 2 348.491 2.365 10 0 EEAELP COCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325946189 1334004118 /nfs/dbraw/zinc/00/41/18/1334004118.db2.gz MUIYLTBAMXDHQG-FGTMMUONSA-N 2 2 348.491 2.184 10 0 EEAELP COCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325946189 1334004123 /nfs/dbraw/zinc/00/41/23/1334004123.db2.gz MUIYLTBAMXDHQG-FGTMMUONSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)on1 ZINC001326411165 1334087331 /nfs/dbraw/zinc/08/73/31/1334087331.db2.gz IYMLKIANZYSBBC-AWEZNQCLSA-N 2 2 345.447 2.012 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001329628971 1334687345 /nfs/dbraw/zinc/68/73/45/1334687345.db2.gz WCDIAECXGKFVGC-CQSZACIVSA-N 2 2 325.416 2.001 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001329628971 1334687348 /nfs/dbraw/zinc/68/73/48/1334687348.db2.gz WCDIAECXGKFVGC-CQSZACIVSA-N 2 2 325.416 2.001 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1C[NH+](CCCCCF)C1 ZINC001330023298 1334762986 /nfs/dbraw/zinc/76/29/86/1334762986.db2.gz ZCNKBXSELUYKCU-LSDHHAIUSA-N 2 2 336.455 2.022 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001331476765 1335020736 /nfs/dbraw/zinc/02/07/36/1335020736.db2.gz XQELIKKMWNGFFK-IACUBPJLSA-N 2 2 347.850 2.198 10 0 EEAELP C[N@@H+]1CCCN(c2ccc(NC(=O)C[NH+]3CC(C)(C)C3)cc2)CC1 ZINC000847355269 1337973456 /nfs/dbraw/zinc/97/34/56/1337973456.db2.gz SYWUTIUVLKTYGE-UHFFFAOYSA-N 2 2 330.476 2.109 10 0 EEAELP C[N@H+]1CCCN(c2ccc(NC(=O)C[NH+]3CC(C)(C)C3)cc2)CC1 ZINC000847355269 1337973457 /nfs/dbraw/zinc/97/34/57/1337973457.db2.gz SYWUTIUVLKTYGE-UHFFFAOYSA-N 2 2 330.476 2.109 10 0 EEAELP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)c(C)o1 ZINC001436390340 1342067678 /nfs/dbraw/zinc/06/76/78/1342067678.db2.gz DMHXAPPRTVZNIR-RCBQFDQVSA-N 2 2 345.447 2.124 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001440404795 1342075821 /nfs/dbraw/zinc/07/58/21/1342075821.db2.gz IRTVTHDBLQTDRT-GOEBONIOSA-N 2 2 344.434 2.474 10 0 EEAELP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001506631323 1342294366 /nfs/dbraw/zinc/29/43/66/1342294366.db2.gz JJNJDRSKTASXEG-HZPDHXFCSA-N 2 2 332.492 2.462 10 0 EEAELP CCCCCC[NH+]1CCC2(CC1)CN(C(=O)Cc1c[nH+]c[nH]1)CCO2 ZINC001674276254 1356811767 /nfs/dbraw/zinc/81/17/67/1356811767.db2.gz XYIGQHKJXYJBEJ-UHFFFAOYSA-N 2 2 348.491 2.226 10 0 EEAELP CCOCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001567192363 1342709240 /nfs/dbraw/zinc/70/92/40/1342709240.db2.gz YDECBGDZAIVXOQ-KRWDZBQOSA-N 2 2 344.459 2.216 10 0 EEAELP CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001567192363 1342709244 /nfs/dbraw/zinc/70/92/44/1342709244.db2.gz YDECBGDZAIVXOQ-KRWDZBQOSA-N 2 2 344.459 2.216 10 0 EEAELP C[NH+](C)C1(C(=O)NC2C[NH+](CCCCOc3ccccc3)C2)CCC1 ZINC001567796341 1342841942 /nfs/dbraw/zinc/84/19/42/1342841942.db2.gz PMMKJKXNHGSEAU-UHFFFAOYSA-N 2 2 345.487 2.130 10 0 EEAELP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC001569375242 1342861286 /nfs/dbraw/zinc/86/12/86/1342861286.db2.gz USUJMUBRICDQDE-LJQANCHMSA-N 2 2 329.488 2.318 10 0 EEAELP CC(C)=CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001569375242 1342861292 /nfs/dbraw/zinc/86/12/92/1342861292.db2.gz USUJMUBRICDQDE-LJQANCHMSA-N 2 2 329.488 2.318 10 0 EEAELP CC(C)=CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001569375242 1342861293 /nfs/dbraw/zinc/86/12/93/1342861293.db2.gz USUJMUBRICDQDE-LJQANCHMSA-N 2 2 329.488 2.318 10 0 EEAELP CC(C)=CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CCc1ccccc1 ZINC001569375242 1342861297 /nfs/dbraw/zinc/86/12/97/1342861297.db2.gz USUJMUBRICDQDE-LJQANCHMSA-N 2 2 329.488 2.318 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001569910383 1342974561 /nfs/dbraw/zinc/97/45/61/1342974561.db2.gz QMNBASUAHPZDHD-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001569910383 1342974564 /nfs/dbraw/zinc/97/45/64/1342974564.db2.gz QMNBASUAHPZDHD-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001569910383 1342974566 /nfs/dbraw/zinc/97/45/66/1342974566.db2.gz QMNBASUAHPZDHD-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001569910383 1342974569 /nfs/dbraw/zinc/97/45/69/1342974569.db2.gz QMNBASUAHPZDHD-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP C[C@H](CCC[NH2+]CC1CC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001571257781 1343170856 /nfs/dbraw/zinc/17/08/56/1343170856.db2.gz RYAWJRYGQXZVEA-CXAGYDPISA-N 2 2 333.480 2.075 10 0 EEAELP C[C@H](CCC[NH2+]CC1CC1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001571257781 1343170859 /nfs/dbraw/zinc/17/08/59/1343170859.db2.gz RYAWJRYGQXZVEA-CXAGYDPISA-N 2 2 333.480 2.075 10 0 EEAELP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001571362143 1343198730 /nfs/dbraw/zinc/19/87/30/1343198730.db2.gz CRDFYRQKNVRNBY-AEFFLSMTSA-N 2 2 330.476 2.072 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC001676662541 1357176871 /nfs/dbraw/zinc/17/68/71/1357176871.db2.gz PNEYSNXMECNQIT-QAPCUYQASA-N 2 2 342.443 2.101 10 0 EEAELP COCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001676938450 1357245451 /nfs/dbraw/zinc/24/54/51/1357245451.db2.gz HZGPWYIIXAKWBI-HOTGVXAUSA-N 2 2 344.459 2.249 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001657025434 1354309972 /nfs/dbraw/zinc/30/99/72/1354309972.db2.gz CWDDOTAPIRNJGZ-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001657025434 1354309977 /nfs/dbraw/zinc/30/99/77/1354309977.db2.gz CWDDOTAPIRNJGZ-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001657025434 1354309982 /nfs/dbraw/zinc/30/99/82/1354309982.db2.gz CWDDOTAPIRNJGZ-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)[C@@H]1C ZINC001657025434 1354309987 /nfs/dbraw/zinc/30/99/87/1354309987.db2.gz CWDDOTAPIRNJGZ-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001660829492 1354546429 /nfs/dbraw/zinc/54/64/29/1354546429.db2.gz MGWMYPJXDBYXSM-IAGOWNOFSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001660829492 1354546434 /nfs/dbraw/zinc/54/64/34/1354546434.db2.gz MGWMYPJXDBYXSM-IAGOWNOFSA-N 2 2 336.480 2.087 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001661258121 1354619540 /nfs/dbraw/zinc/61/95/40/1354619540.db2.gz WTAJCCKHAGFHMQ-NSVNRUQGSA-N 2 2 342.487 2.477 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001661258121 1354619542 /nfs/dbraw/zinc/61/95/42/1354619542.db2.gz WTAJCCKHAGFHMQ-NSVNRUQGSA-N 2 2 342.487 2.477 10 0 EEAELP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001661793988 1354698550 /nfs/dbraw/zinc/69/85/50/1354698550.db2.gz UTROSDYGBDBPGG-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP COCCC[NH2+]C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001661930026 1354724819 /nfs/dbraw/zinc/72/48/19/1354724819.db2.gz PCKZDGGZRQMNGZ-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC001663119997 1354921769 /nfs/dbraw/zinc/92/17/69/1354921769.db2.gz PHTBINKIYRGBQL-SJORKVTESA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC001663119997 1354921771 /nfs/dbraw/zinc/92/17/71/1354921771.db2.gz PHTBINKIYRGBQL-SJORKVTESA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C[NH2+]CC[C@@H](C)F)cc1 ZINC001666347187 1355515092 /nfs/dbraw/zinc/51/50/92/1355515092.db2.gz GHAMIRNERJSABJ-CYBMUJFWSA-N 2 2 332.423 2.415 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001667290574 1355699874 /nfs/dbraw/zinc/69/98/74/1355699874.db2.gz LZFQSQGRWYYEGL-DLBZAZTESA-N 2 2 348.491 2.128 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]CCc2ccns2)c[nH+]1 ZINC001668105092 1355871560 /nfs/dbraw/zinc/87/15/60/1355871560.db2.gz BEFJOTNWUAGFPW-ZDUSSCGKSA-N 2 2 349.504 2.110 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001668112741 1355873909 /nfs/dbraw/zinc/87/39/09/1355873909.db2.gz KLVYDIWCYHLEPZ-ZBFHGGJFSA-N 2 2 344.434 2.269 10 0 EEAELP CCN(CC[NH2+]Cc1ncccc1C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001668464593 1355946707 /nfs/dbraw/zinc/94/67/07/1355946707.db2.gz UPDWMOUWHZODKA-UHFFFAOYSA-N 2 2 343.475 2.268 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001669063208 1356080567 /nfs/dbraw/zinc/08/05/67/1356080567.db2.gz GPHWQVMSVGMFPH-IDOMTICXSA-N 2 2 338.455 2.334 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001669080403 1356087902 /nfs/dbraw/zinc/08/79/02/1356087902.db2.gz ONXFCPVVXIKGFO-FGXVQYDJSA-N 2 2 340.418 2.286 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001669080403 1356087907 /nfs/dbraw/zinc/08/79/07/1356087907.db2.gz ONXFCPVVXIKGFO-FGXVQYDJSA-N 2 2 340.418 2.286 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)CCc1[nH+]ccn1C ZINC001670189206 1356293303 /nfs/dbraw/zinc/29/33/03/1356293303.db2.gz FHFXFYNVOSGQFF-GOSISDBHSA-N 2 2 340.471 2.478 10 0 EEAELP C[C@@]1(C[NH2+]C/C=C/c2ccccc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001671790363 1356415278 /nfs/dbraw/zinc/41/52/78/1356415278.db2.gz QUVJDGXYEIGRHX-FKIZTMCRSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@@]1(C[NH2+]CCc2ccccc2F)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001671816004 1356420646 /nfs/dbraw/zinc/42/06/46/1356420646.db2.gz SSSSEWARKREYQR-IBGZPJMESA-N 2 2 344.434 2.093 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)sc1C ZINC001672885977 1356607191 /nfs/dbraw/zinc/60/71/91/1356607191.db2.gz STFLEVFCCCOWSJ-AWEZNQCLSA-N 2 2 347.488 2.054 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H]3C[NH2+]CCOC(C)C)ccn12 ZINC001699751579 1405466236 /nfs/dbraw/zinc/46/62/36/1405466236.db2.gz ZIAXUIQPLFFHLD-KRWDZBQOSA-N 2 2 344.459 2.262 10 0 EEAELP COCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699820097 1405507536 /nfs/dbraw/zinc/50/75/36/1405507536.db2.gz SPWWXSLNFDMKFA-WMZOPIPTSA-N 2 2 336.480 2.087 10 0 EEAELP COCCC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699820097 1405507543 /nfs/dbraw/zinc/50/75/43/1405507543.db2.gz SPWWXSLNFDMKFA-WMZOPIPTSA-N 2 2 336.480 2.087 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000819322648 785507369 /nfs/dbraw/zinc/50/73/69/785507369.db2.gz UUSYFUYJPXKKLG-IUODEOHRSA-N 2 2 336.233 2.353 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000822507272 787248661 /nfs/dbraw/zinc/24/86/61/787248661.db2.gz CBYKRPMHVQSQLA-UHFFFAOYSA-N 2 2 347.385 2.105 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(C(F)(F)F)n1 ZINC000822507272 787248668 /nfs/dbraw/zinc/24/86/68/787248668.db2.gz CBYKRPMHVQSQLA-UHFFFAOYSA-N 2 2 347.385 2.105 10 0 EEAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844325103 789024694 /nfs/dbraw/zinc/02/46/94/789024694.db2.gz SUSNEZSKSCQZCW-INIZCTEOSA-N 2 2 331.416 2.216 10 0 EEAELP O=C1O[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CC1 ZINC000844322866 789025300 /nfs/dbraw/zinc/02/53/00/789025300.db2.gz JXWUEDMDTXRCHM-RHSMWYFYSA-N 2 2 344.459 2.382 10 0 EEAELP O=C1O[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CC1 ZINC000844322866 789025308 /nfs/dbraw/zinc/02/53/08/789025308.db2.gz JXWUEDMDTXRCHM-RHSMWYFYSA-N 2 2 344.459 2.382 10 0 EEAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000844325115 789025384 /nfs/dbraw/zinc/02/53/84/789025384.db2.gz SUSNEZSKSCQZCW-MRXNPFEDSA-N 2 2 331.416 2.216 10 0 EEAELP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000921537970 789108610 /nfs/dbraw/zinc/10/86/10/789108610.db2.gz GMGOUJFUEYGTQL-UHFFFAOYSA-N 2 2 348.882 2.062 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Cc1ccccc1C(F)(F)F ZINC000923397782 789495708 /nfs/dbraw/zinc/49/57/08/789495708.db2.gz DWHFOTOYGLAZNI-HIFRSBDPSA-N 2 2 328.378 2.483 10 0 EEAELP C/C(=C\C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)C[NH+]1CCOCC1 ZINC000913756973 794233158 /nfs/dbraw/zinc/23/31/58/794233158.db2.gz IUROHLVMNWQLHG-DQSGYLJSSA-N 2 2 349.519 2.178 10 0 EEAELP C/C(=C\C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)C[NH+]1CCOCC1 ZINC000913756973 794233162 /nfs/dbraw/zinc/23/31/62/794233162.db2.gz IUROHLVMNWQLHG-DQSGYLJSSA-N 2 2 349.519 2.178 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]Cc1nccs1 ZINC001565940921 1125467318 /nfs/dbraw/zinc/46/73/18/1125467318.db2.gz FWMPTNTYPPVLHA-UONOGXRCSA-N 2 2 347.488 2.216 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCOC(C)C ZINC001566534183 1125704387 /nfs/dbraw/zinc/70/43/87/1125704387.db2.gz JKNVRHRQBWWQKE-WBVHZDCISA-N 2 2 336.480 2.045 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001436402386 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ZINC001446132692 1092181883 /nfs/dbraw/zinc/18/18/83/1092181883.db2.gz ZSOWHOUHIRSUHU-CVEARBPZSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+]1CC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001446132692 1092181890 /nfs/dbraw/zinc/18/18/90/1092181890.db2.gz ZSOWHOUHIRSUHU-CVEARBPZSA-N 2 2 348.491 2.139 10 0 EEAELP CO[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CCC1 ZINC001439791350 1092750907 /nfs/dbraw/zinc/75/09/07/1092750907.db2.gz TVBYOENOLKKWNJ-JKSUJKDBSA-N 2 2 348.491 2.083 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCCC3)C[C@H]21 ZINC001448466723 1093477479 /nfs/dbraw/zinc/47/74/79/1093477479.db2.gz IYYDLQWBRFZREG-NNZMDNLPSA-N 2 2 330.476 2.148 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]21 ZINC001448466723 1093477485 /nfs/dbraw/zinc/47/74/85/1093477485.db2.gz IYYDLQWBRFZREG-NNZMDNLPSA-N 2 2 330.476 2.148 10 0 EEAELP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001448536835 1093573627 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MGGHVWAMKYWMQX-NJAFHUGGSA-N 2 2 335.467 2.446 10 0 EEAELP CC[C@H](F)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001440509934 1093754242 /nfs/dbraw/zinc/75/42/42/1093754242.db2.gz MGGHVWAMKYWMQX-NJAFHUGGSA-N 2 2 335.467 2.446 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cccc(F)c1 ZINC001448706979 1093774548 /nfs/dbraw/zinc/77/45/48/1093774548.db2.gz WGESPGHZGGVGJO-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC001440620723 1093889838 /nfs/dbraw/zinc/88/98/38/1093889838.db2.gz FONGSESAKMGZMD-IAGOWNOFSA-N 2 2 348.491 2.266 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC001440620723 1093889840 /nfs/dbraw/zinc/88/98/40/1093889840.db2.gz FONGSESAKMGZMD-IAGOWNOFSA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC001440620723 1093889844 /nfs/dbraw/zinc/88/98/44/1093889844.db2.gz FONGSESAKMGZMD-IAGOWNOFSA-N 2 2 348.491 2.266 10 0 EEAELP 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ZINC001441214434 1094579585 /nfs/dbraw/zinc/57/95/85/1094579585.db2.gz VSYYUYICKVPILM-LSDHHAIUSA-N 2 2 348.491 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001441214434 1094579593 /nfs/dbraw/zinc/57/95/93/1094579593.db2.gz VSYYUYICKVPILM-LSDHHAIUSA-N 2 2 348.491 2.076 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H](CNC(=O)Cc2c[nH]c[nH+]2)C2CC2)n1 ZINC001441242076 1094629037 /nfs/dbraw/zinc/62/90/37/1094629037.db2.gz WEJHYWPEIXAGDF-GOSISDBHSA-N 2 2 341.459 2.155 10 0 EEAELP C[N@H+](C/C=C\Cl)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441300491 1094746130 /nfs/dbraw/zinc/74/61/30/1094746130.db2.gz JEULMWOAVPBZOJ-BJVUIWQCSA-N 2 2 336.867 2.436 10 0 EEAELP C[N@@H+](C/C=C\Cl)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441300491 1094746137 /nfs/dbraw/zinc/74/61/37/1094746137.db2.gz JEULMWOAVPBZOJ-BJVUIWQCSA-N 2 2 336.867 2.436 10 0 EEAELP CC(C)c1ocnc1C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441527712 1095233513 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ZINC001498446747 1107545240 /nfs/dbraw/zinc/54/52/40/1107545240.db2.gz YLPDBNZUFFFPSY-DGCLKSJQSA-N 2 2 328.407 2.133 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001498446747 1107545245 /nfs/dbraw/zinc/54/52/45/1107545245.db2.gz YLPDBNZUFFFPSY-DGCLKSJQSA-N 2 2 328.407 2.133 10 0 EEAELP CC(C)c1cnc(C[N@@H+]2CCC[C@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)o1 ZINC001493150132 1107596805 /nfs/dbraw/zinc/59/68/05/1107596805.db2.gz BBJBGIRFSUJXKJ-HOTGVXAUSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[N@H+]2CCC[C@H]2CNC(=O)C[C@@H]2CC[NH+](C)C2)o1 ZINC001493150132 1107596811 /nfs/dbraw/zinc/59/68/11/1107596811.db2.gz BBJBGIRFSUJXKJ-HOTGVXAUSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+]2CCC[C@H]2CNC(=O)C[C@@H]2CC[N@H+](C)C2)o1 ZINC001493150132 1107596814 /nfs/dbraw/zinc/59/68/14/1107596814.db2.gz BBJBGIRFSUJXKJ-HOTGVXAUSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+]2CCC[C@H]2CNC(=O)C[C@@H]2CC[N@@H+](C)C2)o1 ZINC001493150132 1107596822 /nfs/dbraw/zinc/59/68/22/1107596822.db2.gz BBJBGIRFSUJXKJ-HOTGVXAUSA-N 2 2 348.491 2.220 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493240823 1107755375 /nfs/dbraw/zinc/75/53/75/1107755375.db2.gz WCMPRYNCAQZZTL-ANWGSAMYSA-N 2 2 330.476 2.318 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493240823 1107755389 /nfs/dbraw/zinc/75/53/89/1107755389.db2.gz WCMPRYNCAQZZTL-ANWGSAMYSA-N 2 2 330.476 2.318 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001498781709 1108091570 /nfs/dbraw/zinc/09/15/70/1108091570.db2.gz CVOQBMGOGDMPAH-JKSUJKDBSA-N 2 2 332.492 2.366 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@H](C[NH2+]Cc2ccsc2)C2CC2)no1 ZINC001498784877 1108099258 /nfs/dbraw/zinc/09/92/58/1108099258.db2.gz UVBJYZBKCBBUQB-MRXNPFEDSA-N 2 2 348.472 2.096 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC[N@H+](Cc1nc2ccccc2o1)C1CC1 ZINC001493444951 1108167623 /nfs/dbraw/zinc/16/76/23/1108167623.db2.gz PMOJWNPWFNNFSB-UHFFFAOYSA-N 2 2 342.443 2.004 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC[N@@H+](Cc1nc2ccccc2o1)C1CC1 ZINC001493444951 1108167631 /nfs/dbraw/zinc/16/76/31/1108167631.db2.gz PMOJWNPWFNNFSB-UHFFFAOYSA-N 2 2 342.443 2.004 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CCc3ccns3)ccn12 ZINC001493544473 1108291343 /nfs/dbraw/zinc/29/13/43/1108291343.db2.gz JWVYPWNTLWWQKI-UHFFFAOYSA-N 2 2 343.456 2.004 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001479340614 1110683400 /nfs/dbraw/zinc/68/34/00/1110683400.db2.gz UXQAJIFDWWZUBE-IYBDPMFKSA-N 2 2 346.500 2.439 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCCF ZINC001499555830 1112363210 /nfs/dbraw/zinc/36/32/10/1112363210.db2.gz PJNIHUWKEUFBSX-CALCHBBNSA-N 2 2 336.455 2.478 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCCF ZINC001499555830 1112363216 /nfs/dbraw/zinc/36/32/16/1112363216.db2.gz PJNIHUWKEUFBSX-CALCHBBNSA-N 2 2 336.455 2.478 10 0 EEAELP CC[C@H](F)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001499896067 1112531658 /nfs/dbraw/zinc/53/16/58/1112531658.db2.gz CGBYFGHYCJOYQK-HOCLYGCPSA-N 2 2 336.455 2.091 10 0 EEAELP CC(C)C[C@H](C(=O)NCC1([NH2+]CC2CC2)CCOCC1)n1cc[nH+]c1 ZINC001500573531 1112949388 /nfs/dbraw/zinc/94/93/88/1112949388.db2.gz DFVFOGNDWBFRCP-QGZVFWFLSA-N 2 2 348.491 2.135 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCC2=CCCCC2)CCOCC1 ZINC001500603683 1112969501 /nfs/dbraw/zinc/96/95/01/1112969501.db2.gz GRPRXQQKJQSOPH-UHFFFAOYSA-N 2 2 346.475 2.029 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001501389915 1113338040 /nfs/dbraw/zinc/33/80/40/1113338040.db2.gz CMQJJJLYDZYSMO-AHCXZYCDSA-N 2 2 346.475 2.005 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001501389915 1113338042 /nfs/dbraw/zinc/33/80/42/1113338042.db2.gz CMQJJJLYDZYSMO-AHCXZYCDSA-N 2 2 346.475 2.005 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001501389915 1113338046 /nfs/dbraw/zinc/33/80/46/1113338046.db2.gz CMQJJJLYDZYSMO-AHCXZYCDSA-N 2 2 346.475 2.005 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001501389915 1113338050 /nfs/dbraw/zinc/33/80/50/1113338050.db2.gz CMQJJJLYDZYSMO-AHCXZYCDSA-N 2 2 346.475 2.005 10 0 EEAELP CO[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001501568354 1113385752 /nfs/dbraw/zinc/38/57/52/1113385752.db2.gz KHLAKJOZKBNDOQ-JKSUJKDBSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001501655537 1113417383 /nfs/dbraw/zinc/41/73/83/1113417383.db2.gz UXVYKYHPYBHTOV-MRXNPFEDSA-N 2 2 344.434 2.359 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCO[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001502079414 1113579318 /nfs/dbraw/zinc/57/93/18/1113579318.db2.gz PMFMEVLETHJJHJ-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001503372765 1113885787 /nfs/dbraw/zinc/88/57/87/1113885787.db2.gz GCYPEACPMFCLLG-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP CCOCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001505663156 1114116659 /nfs/dbraw/zinc/11/66/59/1114116659.db2.gz BAYLTRBUVCDLJK-CABCVRRESA-N 2 2 330.432 2.005 10 0 EEAELP CCOCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001505663158 1114116719 /nfs/dbraw/zinc/11/67/19/1114116719.db2.gz BAYLTRBUVCDLJK-HUUCEWRRSA-N 2 2 330.432 2.005 10 0 EEAELP Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001505948994 1114295699 /nfs/dbraw/zinc/29/56/99/1114295699.db2.gz YSVKZPVCSUMNFX-SJORKVTESA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001505948994 1114295700 /nfs/dbraw/zinc/29/57/00/1114295700.db2.gz YSVKZPVCSUMNFX-SJORKVTESA-N 2 2 340.471 2.391 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001506887761 1114951440 /nfs/dbraw/zinc/95/14/40/1114951440.db2.gz DGTCEKUZFRZZFR-KRJKFKNKSA-N 2 2 330.476 2.286 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001506899239 1114959264 /nfs/dbraw/zinc/95/92/64/1114959264.db2.gz UKPGXYXYZCFIIM-KKUMJFAQSA-N 2 2 347.488 2.284 10 0 EEAELP C[C@@H](CCC[NH2+]C[C@@H]1CCCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001506930755 1114981643 /nfs/dbraw/zinc/98/16/43/1114981643.db2.gz KQMVOBABNUCVLB-HOTGVXAUSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1cccnc1C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001507128949 1115123636 /nfs/dbraw/zinc/12/36/36/1115123636.db2.gz MWKANQAMMHXBNY-HZPDHXFCSA-N 2 2 329.448 2.174 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCC(F)(F)F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001507952203 1115379388 /nfs/dbraw/zinc/37/93/88/1115379388.db2.gz OXLHSZIBESGYDN-LBPRGKRZSA-N 2 2 334.386 2.415 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCC(F)(F)F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001507952203 1115379392 /nfs/dbraw/zinc/37/93/92/1115379392.db2.gz OXLHSZIBESGYDN-LBPRGKRZSA-N 2 2 334.386 2.415 10 0 EEAELP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](C/C(Cl)=C\Cl)CC1 ZINC001508082901 1115415264 /nfs/dbraw/zinc/41/52/64/1115415264.db2.gz LDOLCYCCPBOTAQ-LQELWAHVSA-N 2 2 336.307 2.474 10 0 EEAELP C[C@@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001568282830 1124403458 /nfs/dbraw/zinc/40/34/58/1124403458.db2.gz RAHPRSLLFNOQDJ-RYUDHWBXSA-N 2 2 345.274 2.201 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001568715889 1124734415 /nfs/dbraw/zinc/73/44/15/1124734415.db2.gz ZWNKAFJPQKYHAC-WMZOPIPTSA-N 2 2 340.471 2.488 10 0 EEAELP CCc1cnc(C[NH2+]CCN(CC)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001568751744 1124765842 /nfs/dbraw/zinc/76/58/42/1124765842.db2.gz SYUHHADHGVHZRS-NVXWUHKLSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH2+]CCN(CC)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)o1 ZINC001568751744 1124765851 /nfs/dbraw/zinc/76/58/51/1124765851.db2.gz SYUHHADHGVHZRS-NVXWUHKLSA-N 2 2 348.491 2.192 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1csc(Cl)n1 ZINC001568874141 1124900774 /nfs/dbraw/zinc/90/07/74/1124900774.db2.gz ZVSAGFDJTABOGK-OOPCZODUSA-N 2 2 342.896 2.043 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1csc(Cl)n1 ZINC001568874141 1124900779 /nfs/dbraw/zinc/90/07/79/1124900779.db2.gz ZVSAGFDJTABOGK-OOPCZODUSA-N 2 2 342.896 2.043 10 0 EEAELP O=C(N[C@H](C[NH2+]CC[C@@H]1CCCO1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001569308236 1125222301 /nfs/dbraw/zinc/22/23/01/1125222301.db2.gz XSYKXVSAPDGVCN-MAUKXSAKSA-N 2 2 342.443 2.230 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155447729 539489479 /nfs/dbraw/zinc/48/94/79/539489479.db2.gz OAMLSIAEJDYVSP-KRWDZBQOSA-N 2 2 349.519 2.010 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155447729 539489482 /nfs/dbraw/zinc/48/94/82/539489482.db2.gz OAMLSIAEJDYVSP-KRWDZBQOSA-N 2 2 349.519 2.010 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166015408 539542831 /nfs/dbraw/zinc/54/28/31/539542831.db2.gz ZLZOFTYRPXGQDD-VQTJNVASSA-N 3 2 329.488 2.235 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166015408 539542837 /nfs/dbraw/zinc/54/28/37/539542837.db2.gz ZLZOFTYRPXGQDD-VQTJNVASSA-N 3 2 329.488 2.235 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000352840991 539889314 /nfs/dbraw/zinc/88/93/14/539889314.db2.gz FYNHMLDNOUMKDC-ZIAGYGMSSA-N 2 2 349.441 2.449 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1 ZINC000352840991 539889318 /nfs/dbraw/zinc/88/93/18/539889318.db2.gz FYNHMLDNOUMKDC-ZIAGYGMSSA-N 2 2 349.441 2.449 10 0 EEAELP C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376284296 296040109 /nfs/dbraw/zinc/04/01/09/296040109.db2.gz YKPHDWAOLKMXHQ-SJORKVTESA-N 2 2 349.519 2.011 10 0 EEAELP C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000376284296 296040111 /nfs/dbraw/zinc/04/01/11/296040111.db2.gz YKPHDWAOLKMXHQ-SJORKVTESA-N 2 2 349.519 2.011 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCN2CCCCC2=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422864532 240263536 /nfs/dbraw/zinc/26/35/36/240263536.db2.gz VDQNJIFHJAPMHF-AZUAARDMSA-N 2 2 345.487 2.481 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1Cc1ccccc1 ZINC000422875580 240271692 /nfs/dbraw/zinc/27/16/92/240271692.db2.gz PGTQAWZYERIWML-NMLACTOBSA-N 2 2 329.488 2.006 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000111229489 220117656 /nfs/dbraw/zinc/11/76/56/220117656.db2.gz LFIHMTUTEGDECX-QWHCGFSZSA-N 2 2 344.381 2.246 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000111229489 220117658 /nfs/dbraw/zinc/11/76/58/220117658.db2.gz LFIHMTUTEGDECX-QWHCGFSZSA-N 2 2 344.381 2.246 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267211054 256038561 /nfs/dbraw/zinc/03/85/61/256038561.db2.gz LSHHUFHGHGUOSH-MRXNPFEDSA-N 2 2 325.460 2.236 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267211054 256038562 /nfs/dbraw/zinc/03/85/62/256038562.db2.gz LSHHUFHGHGUOSH-MRXNPFEDSA-N 2 2 325.460 2.236 10 0 EEAELP Cc1ccc([C@@](C)(O)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000305174548 258015911 /nfs/dbraw/zinc/01/59/11/258015911.db2.gz VBZLMONEPDGIPM-IBGZPJMESA-N 2 2 329.444 2.445 10 0 EEAELP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000111243010 142355018 /nfs/dbraw/zinc/35/50/18/142355018.db2.gz RSNWSUHBYDRWCB-ZDUSSCGKSA-N 2 2 344.381 2.321 10 0 EEAELP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000423248282 292171664 /nfs/dbraw/zinc/17/16/64/292171664.db2.gz RKNIJIVGKUNLMZ-MAUKXSAKSA-N 2 2 332.469 2.447 10 0 EEAELP COCCc1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000374320623 154050727 /nfs/dbraw/zinc/05/07/27/154050727.db2.gz LDOXJBRVHYDGGT-CQSZACIVSA-N 2 2 345.447 2.171 10 0 EEAELP COCCc1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000374320623 154050735 /nfs/dbraw/zinc/05/07/35/154050735.db2.gz LDOXJBRVHYDGGT-CQSZACIVSA-N 2 2 345.447 2.171 10 0 EEAELP Cc1cccn2c(CN3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c[nH+]c12 ZINC000093147708 159230275 /nfs/dbraw/zinc/23/02/75/159230275.db2.gz OZRMXKIBBRXSTN-GOSISDBHSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccn2c(CN3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c[nH+]c12 ZINC000093147708 159230277 /nfs/dbraw/zinc/23/02/77/159230277.db2.gz OZRMXKIBBRXSTN-GOSISDBHSA-N 2 2 341.503 2.245 10 0 EEAELP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186530241 160073355 /nfs/dbraw/zinc/07/33/55/160073355.db2.gz JELWZYJYGPTCNO-KRWDZBQOSA-N 2 2 345.491 2.035 10 0 EEAELP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186530241 160073357 /nfs/dbraw/zinc/07/33/57/160073357.db2.gz JELWZYJYGPTCNO-KRWDZBQOSA-N 2 2 345.491 2.035 10 0 EEAELP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245440812 160235439 /nfs/dbraw/zinc/23/54/39/160235439.db2.gz GTQXKFVUQCUHTQ-LSDHHAIUSA-N 2 2 349.441 2.451 10 0 EEAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245440812 160235441 /nfs/dbraw/zinc/23/54/41/160235441.db2.gz GTQXKFVUQCUHTQ-LSDHHAIUSA-N 2 2 349.441 2.451 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccc(F)cc1 ZINC000246841059 160296561 /nfs/dbraw/zinc/29/65/61/160296561.db2.gz ORPLWKUCRVGOKX-QFBILLFUSA-N 2 2 345.462 2.391 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccc(F)cc1 ZINC000246841059 160296563 /nfs/dbraw/zinc/29/65/63/160296563.db2.gz ORPLWKUCRVGOKX-QFBILLFUSA-N 2 2 345.462 2.391 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccc(F)cc1 ZINC000246841059 160296565 /nfs/dbraw/zinc/29/65/65/160296565.db2.gz ORPLWKUCRVGOKX-QFBILLFUSA-N 2 2 345.462 2.391 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccc(F)cc1 ZINC000246841059 160296568 /nfs/dbraw/zinc/29/65/68/160296568.db2.gz ORPLWKUCRVGOKX-QFBILLFUSA-N 2 2 345.462 2.391 10 0 EEAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247307311 160319057 /nfs/dbraw/zinc/31/90/57/160319057.db2.gz QGBGKKMJERVLRV-IXDOHACOSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247307311 160319059 /nfs/dbraw/zinc/31/90/59/160319059.db2.gz QGBGKKMJERVLRV-IXDOHACOSA-N 2 2 332.492 2.370 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000247529456 160327474 /nfs/dbraw/zinc/32/74/74/160327474.db2.gz ZRPANIJXFFVSMD-GPMSIDNRSA-N 2 2 329.488 2.278 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000247529456 160327476 /nfs/dbraw/zinc/32/74/76/160327476.db2.gz ZRPANIJXFFVSMD-GPMSIDNRSA-N 2 2 329.488 2.278 10 0 EEAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000247529456 160327477 /nfs/dbraw/zinc/32/74/77/160327477.db2.gz ZRPANIJXFFVSMD-GPMSIDNRSA-N 2 2 329.488 2.278 10 0 EEAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000247529456 160327479 /nfs/dbraw/zinc/32/74/79/160327479.db2.gz ZRPANIJXFFVSMD-GPMSIDNRSA-N 2 2 329.488 2.278 10 0 EEAELP CC[N@H+](CC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1Cl ZINC000351966620 162006647 /nfs/dbraw/zinc/00/66/47/162006647.db2.gz ZORQGUKSBFOIQA-UHFFFAOYSA-N 2 2 346.862 2.207 10 0 EEAELP CC[N@@H+](CC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1Cl ZINC000351966620 162006649 /nfs/dbraw/zinc/00/66/49/162006649.db2.gz ZORQGUKSBFOIQA-UHFFFAOYSA-N 2 2 346.862 2.207 10 0 EEAELP CC1CCC([NH+]2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)CC1 ZINC000352368085 162108797 /nfs/dbraw/zinc/10/87/97/162108797.db2.gz FEFAPPWGHVCZPP-UHFFFAOYSA-N 2 2 345.491 2.014 10 0 EEAELP O=C(CC(F)(F)F)NC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000352469453 162147343 /nfs/dbraw/zinc/14/73/43/162147343.db2.gz XQDPWPUNBXWXOR-CYBMUJFWSA-N 2 2 332.370 2.054 10 0 EEAELP O=C(CC(F)(F)F)NC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000352469453 162147344 /nfs/dbraw/zinc/14/73/44/162147344.db2.gz XQDPWPUNBXWXOR-CYBMUJFWSA-N 2 2 332.370 2.054 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000355223688 163114931 /nfs/dbraw/zinc/11/49/31/163114931.db2.gz LNQZAAJGOLCTMB-UHFFFAOYSA-N 2 2 346.475 2.124 10 0 EEAELP CCS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360328317 164284864 /nfs/dbraw/zinc/28/48/64/164284864.db2.gz FLVCWCBDMWPKEK-WMZOPIPTSA-N 2 2 338.517 2.311 10 0 EEAELP CCS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360328317 164284865 /nfs/dbraw/zinc/28/48/65/164284865.db2.gz FLVCWCBDMWPKEK-WMZOPIPTSA-N 2 2 338.517 2.311 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4ncccc43)C2)CC1 ZINC000369266970 166224071 /nfs/dbraw/zinc/22/40/71/166224071.db2.gz NUDGVESRTBOAAZ-OAHLLOKOSA-N 2 2 338.455 2.133 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4ncccc43)C2)CC1 ZINC000369266970 166224074 /nfs/dbraw/zinc/22/40/74/166224074.db2.gz NUDGVESRTBOAAZ-OAHLLOKOSA-N 2 2 338.455 2.133 10 0 EEAELP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000376135826 167269043 /nfs/dbraw/zinc/26/90/43/167269043.db2.gz ZLRVHEOHFFBQOL-SJPCQFCGSA-N 2 2 333.501 2.440 10 0 EEAELP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000376135826 167269046 /nfs/dbraw/zinc/26/90/46/167269046.db2.gz ZLRVHEOHFFBQOL-SJPCQFCGSA-N 2 2 333.501 2.440 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274908597 269072968 /nfs/dbraw/zinc/07/29/68/269072968.db2.gz MOSJNUYQCQCKIE-CEWLAPEOSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274908597 269072971 /nfs/dbraw/zinc/07/29/71/269072971.db2.gz MOSJNUYQCQCKIE-CEWLAPEOSA-N 3 2 345.531 2.333 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292045463 275367383 /nfs/dbraw/zinc/36/73/83/275367383.db2.gz AZTHLAVMFIPCTK-YLJYHZDGSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292045463 275367384 /nfs/dbraw/zinc/36/73/84/275367384.db2.gz AZTHLAVMFIPCTK-YLJYHZDGSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292045463 275367385 /nfs/dbraw/zinc/36/73/85/275367385.db2.gz AZTHLAVMFIPCTK-YLJYHZDGSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292045463 275367386 /nfs/dbraw/zinc/36/73/86/275367386.db2.gz AZTHLAVMFIPCTK-YLJYHZDGSA-N 2 2 329.488 2.451 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292053753 275368728 /nfs/dbraw/zinc/36/87/28/275368728.db2.gz BTJPSINDIPRPLZ-YLJYHZDGSA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292053753 275368729 /nfs/dbraw/zinc/36/87/29/275368729.db2.gz BTJPSINDIPRPLZ-YLJYHZDGSA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292053753 275368731 /nfs/dbraw/zinc/36/87/31/275368731.db2.gz BTJPSINDIPRPLZ-YLJYHZDGSA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292053753 275368733 /nfs/dbraw/zinc/36/87/33/275368733.db2.gz BTJPSINDIPRPLZ-YLJYHZDGSA-N 2 2 329.488 2.370 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126605 275380494 /nfs/dbraw/zinc/38/04/94/275380494.db2.gz KVLYPVMISLKJQX-VQTJNVASSA-N 2 2 327.472 2.282 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126605 275380495 /nfs/dbraw/zinc/38/04/95/275380495.db2.gz KVLYPVMISLKJQX-VQTJNVASSA-N 2 2 327.472 2.282 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126605 275380497 /nfs/dbraw/zinc/38/04/97/275380497.db2.gz KVLYPVMISLKJQX-VQTJNVASSA-N 2 2 327.472 2.282 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126605 275380499 /nfs/dbraw/zinc/38/04/99/275380499.db2.gz KVLYPVMISLKJQX-VQTJNVASSA-N 2 2 327.472 2.282 10 0 EEAELP Cc1cccc2nc(C[N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)cn21 ZINC000152295792 281316792 /nfs/dbraw/zinc/31/67/92/281316792.db2.gz CBBLTIFGESPMFG-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccc2nc(C[N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)cn21 ZINC000152295792 281316796 /nfs/dbraw/zinc/31/67/96/281316796.db2.gz CBBLTIFGESPMFG-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000349420297 312303599 /nfs/dbraw/zinc/30/35/99/312303599.db2.gz RGPICJRVGZDLEM-MAUKXSAKSA-N 2 2 340.475 2.083 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000349420297 312303601 /nfs/dbraw/zinc/30/36/01/312303601.db2.gz RGPICJRVGZDLEM-MAUKXSAKSA-N 2 2 340.475 2.083 10 0 EEAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414841220 313101309 /nfs/dbraw/zinc/10/13/09/313101309.db2.gz YAQQWZOXBKZTRP-SFHVURJKSA-N 2 2 344.459 2.241 10 0 EEAELP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000415913400 313203607 /nfs/dbraw/zinc/20/36/07/313203607.db2.gz BIDJEBGEYVVGTH-KRWDZBQOSA-N 2 2 346.475 2.125 10 0 EEAELP C[C@@H](C[NH3+])CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000418472669 313823021 /nfs/dbraw/zinc/82/30/21/313823021.db2.gz NQVZPORDILQSBE-KBPBESRZSA-N 2 2 338.883 2.323 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@]2(C)CC2(F)F)([NH+]2CCCCC2)CC1 ZINC000421488161 314108715 /nfs/dbraw/zinc/10/87/15/314108715.db2.gz ZXZRXORERMHXJA-OAHLLOKOSA-N 2 2 329.435 2.098 10 0 EEAELP CC(C)(CC[NH3+])NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000422614362 314295854 /nfs/dbraw/zinc/29/58/54/314295854.db2.gz FHRIEVREOWSBRX-UHFFFAOYSA-N 2 2 338.883 2.125 10 0 EEAELP CC(C)(CC[NH3+])NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000422614362 314295857 /nfs/dbraw/zinc/29/58/57/314295857.db2.gz FHRIEVREOWSBRX-UHFFFAOYSA-N 2 2 338.883 2.125 10 0 EEAELP C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425217597 314359268 /nfs/dbraw/zinc/35/92/68/314359268.db2.gz OSJRJBNCJGYQTP-IAGOWNOFSA-N 2 2 326.444 2.484 10 0 EEAELP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425404910 314387713 /nfs/dbraw/zinc/38/77/13/314387713.db2.gz MKTUGNUORPQTNT-UHFFFAOYSA-N 2 2 340.471 2.422 10 0 EEAELP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425404910 314387716 /nfs/dbraw/zinc/38/77/16/314387716.db2.gz MKTUGNUORPQTNT-UHFFFAOYSA-N 2 2 340.471 2.422 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000449092380 315415791 /nfs/dbraw/zinc/41/57/91/315415791.db2.gz LRJHNQZUCQGDJC-WIYYLYMNSA-N 3 2 345.531 2.128 10 0 EEAELP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179752 317696230 /nfs/dbraw/zinc/69/62/30/317696230.db2.gz WSTDFCZOLILQNH-INIZCTEOSA-N 2 2 326.400 2.180 10 0 EEAELP COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542465846 318130260 /nfs/dbraw/zinc/13/02/60/318130260.db2.gz ABDIIJXLVOPBNF-CYBMUJFWSA-N 2 2 337.470 2.414 10 0 EEAELP COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000542465846 318130262 /nfs/dbraw/zinc/13/02/62/318130262.db2.gz ABDIIJXLVOPBNF-CYBMUJFWSA-N 2 2 337.470 2.414 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000547761963 318320192 /nfs/dbraw/zinc/32/01/92/318320192.db2.gz NDCXRDAESTYPKS-HOCLYGCPSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000547761963 318320193 /nfs/dbraw/zinc/32/01/93/318320193.db2.gz NDCXRDAESTYPKS-HOCLYGCPSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000547761963 318320195 /nfs/dbraw/zinc/32/01/95/318320195.db2.gz NDCXRDAESTYPKS-HOCLYGCPSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000547761963 318320197 /nfs/dbraw/zinc/32/01/97/318320197.db2.gz NDCXRDAESTYPKS-HOCLYGCPSA-N 2 2 326.444 2.324 10 0 EEAELP O=C(CC[NH2+][C@H]1CCCC12CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000563820797 319046797 /nfs/dbraw/zinc/04/67/97/319046797.db2.gz BRLBGBMLRHQQAV-INIZCTEOSA-N 2 2 328.460 2.043 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(CCO)CC1 ZINC000569833066 319612801 /nfs/dbraw/zinc/61/28/01/319612801.db2.gz RCOTWMRXELUFCL-CQSZACIVSA-N 2 2 342.443 2.498 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@@H]2C[C@@H]2c2ccccc2)C1=O ZINC000574741923 320052468 /nfs/dbraw/zinc/05/24/68/320052468.db2.gz HAPBZNNEQIUXKL-KSZLIROESA-N 2 2 338.455 2.304 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000575136058 320090188 /nfs/dbraw/zinc/09/01/88/320090188.db2.gz SSXYXDNZCKSOJD-SSKCKEOISA-N 2 2 348.397 2.428 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000575136058 320090190 /nfs/dbraw/zinc/09/01/90/320090190.db2.gz SSXYXDNZCKSOJD-SSKCKEOISA-N 2 2 348.397 2.428 10 0 EEAELP Cc1cccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1F ZINC000576430853 320171004 /nfs/dbraw/zinc/17/10/04/320171004.db2.gz VYUWSNGJTJBBJL-OAHLLOKOSA-N 2 2 330.407 2.148 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[N@H+](C)C(C)(C)C1 ZINC000577527102 320260921 /nfs/dbraw/zinc/26/09/21/320260921.db2.gz QUKIMGHWWWVPPP-AWEZNQCLSA-N 2 2 341.459 2.430 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000577527102 320260922 /nfs/dbraw/zinc/26/09/22/320260922.db2.gz QUKIMGHWWWVPPP-AWEZNQCLSA-N 2 2 341.459 2.430 10 0 EEAELP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CS(=O)(=O)c4ccccc43)n2c1 ZINC000580515645 324075977 /nfs/dbraw/zinc/07/59/77/324075977.db2.gz AHLFIQDPQXHXEK-CQSZACIVSA-N 2 2 341.436 2.303 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000580780973 324128201 /nfs/dbraw/zinc/12/82/01/324128201.db2.gz MIQLKHDUDARPSV-TZMCWYRMSA-N 2 2 331.794 2.186 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000580780973 324128202 /nfs/dbraw/zinc/12/82/02/324128202.db2.gz MIQLKHDUDARPSV-TZMCWYRMSA-N 2 2 331.794 2.186 10 0 EEAELP Cc1nc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc(N(C)C)[nH+]1 ZINC000531680040 448128199 /nfs/dbraw/zinc/12/81/99/448128199.db2.gz HKWINSCVXNLSRI-MRXNPFEDSA-N 2 2 326.448 2.495 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529366213 448842002 /nfs/dbraw/zinc/84/20/02/448842002.db2.gz JEPVMBYLZGOJIQ-HUUCEWRRSA-N 2 2 348.495 2.089 10 0 EEAELP CCCN(C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)[C@H]1CC[NH2+]C1 ZINC000627179457 451168459 /nfs/dbraw/zinc/16/84/59/451168459.db2.gz TZPJGIBVQJRWQL-HNNXBMFYSA-N 2 2 348.495 2.104 10 0 EEAELP Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631396322 451723457 /nfs/dbraw/zinc/72/34/57/451723457.db2.gz PKDMOKCCFAUQOM-MRXNPFEDSA-N 2 2 326.448 2.109 10 0 EEAELP Cc1nc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631396322 451723458 /nfs/dbraw/zinc/72/34/58/451723458.db2.gz PKDMOKCCFAUQOM-MRXNPFEDSA-N 2 2 326.448 2.109 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)nc2)c[nH+]1 ZINC000339254977 465169881 /nfs/dbraw/zinc/16/98/81/465169881.db2.gz HGPWRKDCIDRNDI-UHFFFAOYSA-N 2 2 341.459 2.314 10 0 EEAELP CS[C@@H]1CN(c2cc(C)[nH+]c(-c3ccncc3)n2)C[C@@H]1[NH+](C)C ZINC000347770560 465216823 /nfs/dbraw/zinc/21/68/23/465216823.db2.gz WENGALHGWXIBJI-LSDHHAIUSA-N 2 2 329.473 2.329 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000358664072 465250574 /nfs/dbraw/zinc/25/05/74/465250574.db2.gz KPMWFIRHICBIFW-QGZVFWFLSA-N 2 2 345.491 2.036 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000358664072 465250582 /nfs/dbraw/zinc/25/05/82/465250582.db2.gz KPMWFIRHICBIFW-QGZVFWFLSA-N 2 2 345.491 2.036 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712009 465310823 /nfs/dbraw/zinc/31/08/23/465310823.db2.gz MJORWCCOUQNLKB-QZTJIDSGSA-N 2 2 334.435 2.318 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712009 465310833 /nfs/dbraw/zinc/31/08/33/465310833.db2.gz MJORWCCOUQNLKB-QZTJIDSGSA-N 2 2 334.435 2.318 10 0 EEAELP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712009 465310835 /nfs/dbraw/zinc/31/08/35/465310835.db2.gz MJORWCCOUQNLKB-QZTJIDSGSA-N 2 2 334.435 2.318 10 0 EEAELP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712009 465310838 /nfs/dbraw/zinc/31/08/38/465310838.db2.gz MJORWCCOUQNLKB-QZTJIDSGSA-N 2 2 334.435 2.318 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778371 463251341 /nfs/dbraw/zinc/25/13/41/463251341.db2.gz JFSUDZBZELXWBL-HKUYNNGSSA-N 2 2 340.471 2.039 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778371 463251345 /nfs/dbraw/zinc/25/13/45/463251345.db2.gz JFSUDZBZELXWBL-HKUYNNGSSA-N 2 2 340.471 2.039 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778371 463251350 /nfs/dbraw/zinc/25/13/50/463251350.db2.gz JFSUDZBZELXWBL-HKUYNNGSSA-N 2 2 340.471 2.039 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778371 463251354 /nfs/dbraw/zinc/25/13/54/463251354.db2.gz JFSUDZBZELXWBL-HKUYNNGSSA-N 2 2 340.471 2.039 10 0 EEAELP O=C(OCc1ccccc1)N1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000145887593 463383780 /nfs/dbraw/zinc/38/37/80/463383780.db2.gz SCNAJGYXDJEDSM-GOSISDBHSA-N 2 2 331.460 2.473 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151237 463485722 /nfs/dbraw/zinc/48/57/22/463485722.db2.gz FHKHYSKGDIDODY-SFTDATJTSA-N 3 2 345.531 2.430 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151237 463485724 /nfs/dbraw/zinc/48/57/24/463485724.db2.gz FHKHYSKGDIDODY-SFTDATJTSA-N 3 2 345.531 2.430 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151237 463485727 /nfs/dbraw/zinc/48/57/27/463485727.db2.gz FHKHYSKGDIDODY-SFTDATJTSA-N 3 2 345.531 2.430 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151237 463485731 /nfs/dbraw/zinc/48/57/31/463485731.db2.gz FHKHYSKGDIDODY-SFTDATJTSA-N 3 2 345.531 2.430 10 0 EEAELP COc1c(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)c(C(C)C)nn1C ZINC000058404285 463593869 /nfs/dbraw/zinc/59/38/69/463593869.db2.gz ORMSGYBAVPXTLB-UHFFFAOYSA-N 2 2 340.431 2.423 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073958930 463674179 /nfs/dbraw/zinc/67/41/79/463674179.db2.gz MMKKDCUQVCHBLN-KRWDZBQOSA-N 2 2 341.459 2.215 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073958930 463674184 /nfs/dbraw/zinc/67/41/84/463674184.db2.gz MMKKDCUQVCHBLN-KRWDZBQOSA-N 2 2 341.459 2.215 10 0 EEAELP Cc1cc(NC[C@@H](O)C[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112074305 463689859 /nfs/dbraw/zinc/68/98/59/463689859.db2.gz ARTSNRRYGYYNQV-MRXNPFEDSA-N 2 2 327.432 2.106 10 0 EEAELP Cn1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc2ccccc2c1=O ZINC000171388064 463855036 /nfs/dbraw/zinc/85/50/36/463855036.db2.gz LQLMZSFECAMNDD-UHFFFAOYSA-N 2 2 340.471 2.241 10 0 EEAELP CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178750355 463962568 /nfs/dbraw/zinc/96/25/68/463962568.db2.gz GKSXMHPFPNICIL-GOSISDBHSA-N 2 2 340.427 2.497 10 0 EEAELP CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178750355 463962572 /nfs/dbraw/zinc/96/25/72/463962572.db2.gz GKSXMHPFPNICIL-GOSISDBHSA-N 2 2 340.427 2.497 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)cc1 ZINC000195133603 464001265 /nfs/dbraw/zinc/00/12/65/464001265.db2.gz VCGCGLSXQHWGFE-UHFFFAOYSA-N 2 2 335.411 2.259 10 0 EEAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195515674 464064965 /nfs/dbraw/zinc/06/49/65/464064965.db2.gz SWQCWXIQOGDUCR-SFHVURJKSA-N 2 2 338.455 2.440 10 0 EEAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195515674 464064969 /nfs/dbraw/zinc/06/49/69/464064969.db2.gz SWQCWXIQOGDUCR-SFHVURJKSA-N 2 2 338.455 2.440 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2cc(C3CC3)on2)([NH+]2CCCCC2)CC1 ZINC000172850331 464154203 /nfs/dbraw/zinc/15/42/03/464154203.db2.gz CDIJSGIJOMOEFY-UHFFFAOYSA-N 2 2 346.475 2.232 10 0 EEAELP Cc1nn(C)c(C)c1C[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1 ZINC000180103312 464242130 /nfs/dbraw/zinc/24/21/30/464242130.db2.gz VZNAGHAEGDNFFW-UHFFFAOYSA-N 2 2 338.459 2.002 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263935777 464244675 /nfs/dbraw/zinc/24/46/75/464244675.db2.gz FQZNYEFNSOHECS-OAHLLOKOSA-N 2 2 342.443 2.370 10 0 EEAELP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000237004108 464251749 /nfs/dbraw/zinc/25/17/49/464251749.db2.gz DOIJYCFUTRNXFB-BLLLJJGKSA-N 2 2 325.403 2.173 10 0 EEAELP CCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000237004108 464251754 /nfs/dbraw/zinc/25/17/54/464251754.db2.gz DOIJYCFUTRNXFB-BLLLJJGKSA-N 2 2 325.403 2.173 10 0 EEAELP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174885786 464462352 /nfs/dbraw/zinc/46/23/52/464462352.db2.gz ZVMHIBAGIVIGLW-HOCLYGCPSA-N 2 2 333.480 2.110 10 0 EEAELP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174885786 464462355 /nfs/dbraw/zinc/46/23/55/464462355.db2.gz ZVMHIBAGIVIGLW-HOCLYGCPSA-N 2 2 333.480 2.110 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245616058 464498468 /nfs/dbraw/zinc/49/84/68/464498468.db2.gz CYBUTZKKUOGDLP-ZWKOTPCHSA-N 2 2 341.459 2.360 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245616058 464498493 /nfs/dbraw/zinc/49/84/93/464498493.db2.gz CYBUTZKKUOGDLP-ZWKOTPCHSA-N 2 2 341.459 2.360 10 0 EEAELP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000272205830 464517960 /nfs/dbraw/zinc/51/79/60/464517960.db2.gz IDDNAPDEDJNFRT-CABCVRRESA-N 2 2 327.432 2.118 10 0 EEAELP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@H+]1CCC[C@@H](C)C1 ZINC000272205830 464517966 /nfs/dbraw/zinc/51/79/66/464517966.db2.gz IDDNAPDEDJNFRT-CABCVRRESA-N 2 2 327.432 2.118 10 0 EEAELP COC(=O)c1cccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265448270 464562781 /nfs/dbraw/zinc/56/27/81/464562781.db2.gz BOHHGCSEZSCNIJ-UHFFFAOYSA-N 2 2 329.400 2.455 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000176321180 464748276 /nfs/dbraw/zinc/74/82/76/464748276.db2.gz NBWHGYRIIYESRC-INIZCTEOSA-N 2 2 344.463 2.418 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248649828 464779365 /nfs/dbraw/zinc/77/93/65/464779365.db2.gz LJMBNJLMTCAYLD-PKOBYXMFSA-N 2 2 338.455 2.062 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248649828 464779370 /nfs/dbraw/zinc/77/93/70/464779370.db2.gz LJMBNJLMTCAYLD-PKOBYXMFSA-N 2 2 338.455 2.062 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248649828 464779375 /nfs/dbraw/zinc/77/93/75/464779375.db2.gz LJMBNJLMTCAYLD-PKOBYXMFSA-N 2 2 338.455 2.062 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248649828 464779380 /nfs/dbraw/zinc/77/93/80/464779380.db2.gz LJMBNJLMTCAYLD-PKOBYXMFSA-N 2 2 338.455 2.062 10 0 EEAELP COC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286097310 464801627 /nfs/dbraw/zinc/80/16/27/464801627.db2.gz UPEPWRSATQJJBC-GOSISDBHSA-N 2 2 345.487 2.084 10 0 EEAELP COC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000286097310 464801633 /nfs/dbraw/zinc/80/16/33/464801633.db2.gz UPEPWRSATQJJBC-GOSISDBHSA-N 2 2 345.487 2.084 10 0 EEAELP CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000249090009 464838450 /nfs/dbraw/zinc/83/84/50/464838450.db2.gz GMOHWJZHBXROHS-ICSRJNTNSA-N 2 2 346.519 2.077 10 0 EEAELP CC[C@](C)(O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000249090009 464838456 /nfs/dbraw/zinc/83/84/56/464838456.db2.gz GMOHWJZHBXROHS-ICSRJNTNSA-N 2 2 346.519 2.077 10 0 EEAELP C[C@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000337351334 465321862 /nfs/dbraw/zinc/32/18/62/465321862.db2.gz VRMBSPAHZKXZLZ-HUUCEWRRSA-N 2 2 333.480 2.210 10 0 EEAELP C[C@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@H+]1CCCC[C@H]1C ZINC000337351334 465321865 /nfs/dbraw/zinc/32/18/65/465321865.db2.gz VRMBSPAHZKXZLZ-HUUCEWRRSA-N 2 2 333.480 2.210 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000343156495 465484051 /nfs/dbraw/zinc/48/40/51/465484051.db2.gz YLACJDSTVSTIQZ-JLSDUUJJSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N1CCOCC1 ZINC000343156495 465484054 /nfs/dbraw/zinc/48/40/54/465484054.db2.gz YLACJDSTVSTIQZ-JLSDUUJJSA-N 2 2 337.895 2.253 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000366345252 465668135 /nfs/dbraw/zinc/66/81/35/465668135.db2.gz JRUKMAYFFMOASJ-FUHWJXTLSA-N 2 2 340.427 2.335 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000366345252 465668142 /nfs/dbraw/zinc/66/81/42/465668142.db2.gz JRUKMAYFFMOASJ-FUHWJXTLSA-N 2 2 340.427 2.335 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@@H](C4CC4)C3)c2cc1C ZINC000362560985 465831592 /nfs/dbraw/zinc/83/15/92/465831592.db2.gz OKSRIBWGNCJGFB-VQIMIIECSA-N 2 2 329.444 2.125 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@@H](C4CC4)C3)c2cc1C ZINC000362560985 465831596 /nfs/dbraw/zinc/83/15/96/465831596.db2.gz OKSRIBWGNCJGFB-VQIMIIECSA-N 2 2 329.444 2.125 10 0 EEAELP COC(=O)[C@@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000361296871 465892472 /nfs/dbraw/zinc/89/24/72/465892472.db2.gz PXMNRQSEEUZDBI-SFHVURJKSA-N 2 2 345.443 2.389 10 0 EEAELP COC(=O)[C@@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000361296871 465892478 /nfs/dbraw/zinc/89/24/78/465892478.db2.gz PXMNRQSEEUZDBI-SFHVURJKSA-N 2 2 345.443 2.389 10 0 EEAELP Cc1nc(N2CCCC[C@H]2C[NH+]2CCOCC2)c2c([nH+]1)CCCC2 ZINC000302047245 466088950 /nfs/dbraw/zinc/08/89/50/466088950.db2.gz LOZROJZCPOEHRM-INIZCTEOSA-N 2 2 330.476 2.355 10 0 EEAELP CNc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)[nH+]cc1Br ZINC000302767205 466182179 /nfs/dbraw/zinc/18/21/79/466182179.db2.gz YVLBFWLPVLMJSR-CMPLNLGQSA-N 2 2 340.269 2.201 10 0 EEAELP CNc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)[nH+]cc1Br ZINC000302767205 466182188 /nfs/dbraw/zinc/18/21/88/466182188.db2.gz YVLBFWLPVLMJSR-CMPLNLGQSA-N 2 2 340.269 2.201 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000340716626 466285648 /nfs/dbraw/zinc/28/56/48/466285648.db2.gz UJTWFRGXJRALHK-JKSUJKDBSA-N 2 2 336.867 2.090 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000340716626 466285652 /nfs/dbraw/zinc/28/56/52/466285652.db2.gz UJTWFRGXJRALHK-JKSUJKDBSA-N 2 2 336.867 2.090 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304486568 466303220 /nfs/dbraw/zinc/30/32/20/466303220.db2.gz CCNSSEATTQLXSI-QFBILLFUSA-N 2 2 336.451 2.212 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000304486568 466303227 /nfs/dbraw/zinc/30/32/27/466303227.db2.gz CCNSSEATTQLXSI-QFBILLFUSA-N 2 2 336.451 2.212 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000358213591 466545620 /nfs/dbraw/zinc/54/56/20/466545620.db2.gz AXEIHPNZRPGKSH-GWCFXTLKSA-N 2 2 341.249 2.260 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000358213591 466545624 /nfs/dbraw/zinc/54/56/24/466545624.db2.gz AXEIHPNZRPGKSH-GWCFXTLKSA-N 2 2 341.249 2.260 10 0 EEAELP CC1CC[NH+](CCCNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000370226147 466804775 /nfs/dbraw/zinc/80/47/75/466804775.db2.gz CKHSMQAKWKOORJ-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP CC1CC[NH+](CCCNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000370226147 466804780 /nfs/dbraw/zinc/80/47/80/466804780.db2.gz CKHSMQAKWKOORJ-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c(C)c1 ZINC000417931166 466990261 /nfs/dbraw/zinc/99/02/61/466990261.db2.gz LCQKBYSTXQQKRM-VYDXJSESSA-N 2 2 329.448 2.276 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000424165052 466994433 /nfs/dbraw/zinc/99/44/33/466994433.db2.gz DEMUPXUXMWEJOX-AQNFWKISSA-N 2 2 325.815 2.078 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000424165052 466994438 /nfs/dbraw/zinc/99/44/38/466994438.db2.gz DEMUPXUXMWEJOX-AQNFWKISSA-N 2 2 325.815 2.078 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)C[NH3+])c(C)c1 ZINC000417943284 466996288 /nfs/dbraw/zinc/99/62/88/466996288.db2.gz UUPKDMGXCQUHLC-WMLDXEAASA-N 2 2 329.448 2.135 10 0 EEAELP O=C(NCCC[NH2+]C1CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418300867 467090153 /nfs/dbraw/zinc/09/01/53/467090153.db2.gz NTKSRAQMIGDANZ-OAHLLOKOSA-N 2 2 345.491 2.251 10 0 EEAELP Brc1ccc2ncc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)n2c1 ZINC000377727257 467128166 /nfs/dbraw/zinc/12/81/66/467128166.db2.gz UHZQGOZRUJBHNK-NSHDSACASA-N 2 2 346.232 2.467 10 0 EEAELP Brc1ccc2ncc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)n2c1 ZINC000377727257 467128169 /nfs/dbraw/zinc/12/81/69/467128169.db2.gz UHZQGOZRUJBHNK-NSHDSACASA-N 2 2 346.232 2.467 10 0 EEAELP COc1cc(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c(OC)cc1Cl ZINC000420350713 467374187 /nfs/dbraw/zinc/37/41/87/467374187.db2.gz HXRHGYXOTUKGFM-JQWIXIFHSA-N 2 2 341.839 2.107 10 0 EEAELP COc1cc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c(OC)cc1Cl ZINC000420350713 467374189 /nfs/dbraw/zinc/37/41/89/467374189.db2.gz HXRHGYXOTUKGFM-JQWIXIFHSA-N 2 2 341.839 2.107 10 0 EEAELP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000386557690 467390450 /nfs/dbraw/zinc/39/04/50/467390450.db2.gz UYIQGEAHRZLAGK-HRCADAONSA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000386557690 467390456 /nfs/dbraw/zinc/39/04/56/467390456.db2.gz UYIQGEAHRZLAGK-HRCADAONSA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000386557690 467390461 /nfs/dbraw/zinc/39/04/61/467390461.db2.gz UYIQGEAHRZLAGK-HRCADAONSA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000386557690 467390466 /nfs/dbraw/zinc/39/04/66/467390466.db2.gz UYIQGEAHRZLAGK-HRCADAONSA-N 2 2 339.443 2.390 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000389295062 467398576 /nfs/dbraw/zinc/39/85/76/467398576.db2.gz YLMAYJNXFHHXME-NSHDSACASA-N 2 2 329.238 2.347 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccnn1-c1ccccc1 ZINC000453258588 467472311 /nfs/dbraw/zinc/47/23/11/467472311.db2.gz HWSUAKWGHFKQMB-AEFFLSMTSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccnn1-c1ccccc1 ZINC000453258588 467472315 /nfs/dbraw/zinc/47/23/15/467472315.db2.gz HWSUAKWGHFKQMB-AEFFLSMTSA-N 2 2 328.460 2.370 10 0 EEAELP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)CC[NH2+]2)cc1 ZINC000415056278 467477215 /nfs/dbraw/zinc/47/72/15/467477215.db2.gz PRFQPDCMUZMZDS-KWJLTHHISA-N 2 2 342.531 2.286 10 0 EEAELP c1ccc([C@H]2C[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC[NH2+]2)cc1 ZINC000415056278 467477218 /nfs/dbraw/zinc/47/72/18/467477218.db2.gz PRFQPDCMUZMZDS-KWJLTHHISA-N 3 2 342.531 2.286 10 0 EEAELP Brc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc2c1OCO2 ZINC000415067086 467480514 /nfs/dbraw/zinc/48/05/14/467480514.db2.gz KATYUWGWYZBEGC-LLVKDONJSA-N 2 2 327.222 2.410 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(OC(F)F)c1 ZINC000449396803 467638955 /nfs/dbraw/zinc/63/89/55/467638955.db2.gz SRKXJGQGQMASTB-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(OC(F)F)c1 ZINC000449396803 467638959 /nfs/dbraw/zinc/63/89/59/467638959.db2.gz SRKXJGQGQMASTB-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1OC(F)F ZINC000449398305 467638985 /nfs/dbraw/zinc/63/89/85/467638985.db2.gz XPQPYISUQYOHDU-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1OC(F)F ZINC000449398305 467638988 /nfs/dbraw/zinc/63/89/88/467638988.db2.gz XPQPYISUQYOHDU-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP CC[C@H](C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457008400 467730038 /nfs/dbraw/zinc/73/00/38/467730038.db2.gz CKFGTNFEGWSPLW-CEXWTWQISA-N 2 2 345.487 2.049 10 0 EEAELP CC[C@H](C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000457008400 467730044 /nfs/dbraw/zinc/73/00/44/467730044.db2.gz CKFGTNFEGWSPLW-CEXWTWQISA-N 2 2 345.487 2.049 10 0 EEAELP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000529719583 467902843 /nfs/dbraw/zinc/90/28/43/467902843.db2.gz PELSSZANEBNBTR-QGZVFWFLSA-N 2 2 339.443 2.404 10 0 EEAELP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000529719583 467902846 /nfs/dbraw/zinc/90/28/46/467902846.db2.gz PELSSZANEBNBTR-QGZVFWFLSA-N 2 2 339.443 2.404 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000494999560 468081765 /nfs/dbraw/zinc/08/17/65/468081765.db2.gz UXZDPAIFWNZZMU-DGCLKSJQSA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000494999560 468081766 /nfs/dbraw/zinc/08/17/66/468081766.db2.gz UXZDPAIFWNZZMU-DGCLKSJQSA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000494999560 468081763 /nfs/dbraw/zinc/08/17/63/468081763.db2.gz UXZDPAIFWNZZMU-DGCLKSJQSA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000494999560 468081764 /nfs/dbraw/zinc/08/17/64/468081764.db2.gz UXZDPAIFWNZZMU-DGCLKSJQSA-N 2 2 327.270 2.099 10 0 EEAELP Cc1nc(N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490103848 468196396 /nfs/dbraw/zinc/19/63/96/468196396.db2.gz ULVIKIIWNROENG-QGZVFWFLSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1nc(N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490103848 468196400 /nfs/dbraw/zinc/19/64/00/468196400.db2.gz ULVIKIIWNROENG-QGZVFWFLSA-N 2 2 340.475 2.347 10 0 EEAELP CCN1CC[NH+](C[C@H](C)CNc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000578317936 468201173 /nfs/dbraw/zinc/20/11/73/468201173.db2.gz FRKZMVMPYVMOKA-OAHLLOKOSA-N 2 2 330.451 3.059 10 0 EEAELP CC[NH+]1CCN(C[C@H](C)CNc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000578317936 468201180 /nfs/dbraw/zinc/20/11/80/468201180.db2.gz FRKZMVMPYVMOKA-OAHLLOKOSA-N 2 2 330.451 3.059 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCCCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000533890367 468228132 /nfs/dbraw/zinc/22/81/32/468228132.db2.gz AWXYFMJJPAISDW-ZWKOTPCHSA-N 2 2 341.459 2.408 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCCCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000533890367 468228134 /nfs/dbraw/zinc/22/81/34/468228134.db2.gz AWXYFMJJPAISDW-ZWKOTPCHSA-N 2 2 341.459 2.408 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567915533 468236496 /nfs/dbraw/zinc/23/64/96/468236496.db2.gz VTGFTHSQAICFSQ-NZVBXONLSA-N 2 2 327.831 2.339 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567915533 468236500 /nfs/dbraw/zinc/23/65/00/468236500.db2.gz VTGFTHSQAICFSQ-NZVBXONLSA-N 2 2 327.831 2.339 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570825157 468700078 /nfs/dbraw/zinc/70/00/78/468700078.db2.gz RZGCGSYGCVGQTP-WMZOPIPTSA-N 2 2 329.488 2.355 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570825157 468700083 /nfs/dbraw/zinc/70/00/83/468700083.db2.gz RZGCGSYGCVGQTP-WMZOPIPTSA-N 2 2 329.488 2.355 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571044372 468732120 /nfs/dbraw/zinc/73/21/20/468732120.db2.gz QYEZIYNSVXJEAF-SPGJAERMSA-N 2 2 339.842 2.339 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571044372 468732123 /nfs/dbraw/zinc/73/21/23/468732123.db2.gz QYEZIYNSVXJEAF-SPGJAERMSA-N 2 2 339.842 2.339 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000571731222 468828189 /nfs/dbraw/zinc/82/81/89/468828189.db2.gz UFVVZRVJENMDGM-VQIMIIECSA-N 2 2 331.460 2.190 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000571731222 468828194 /nfs/dbraw/zinc/82/81/94/468828194.db2.gz UFVVZRVJENMDGM-VQIMIIECSA-N 2 2 331.460 2.190 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1C ZINC000601334978 468830590 /nfs/dbraw/zinc/83/05/90/468830590.db2.gz PMFPTEIDEAMIOS-WBVHZDCISA-N 2 2 344.459 2.025 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1C ZINC000601334978 468830592 /nfs/dbraw/zinc/83/05/92/468830592.db2.gz PMFPTEIDEAMIOS-WBVHZDCISA-N 2 2 344.459 2.025 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC000572466072 468936470 /nfs/dbraw/zinc/93/64/70/468936470.db2.gz YOZASLGALCQWBN-IBGZPJMESA-N 2 2 345.491 2.213 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c2[nH+]ccn21 ZINC000572601557 468956352 /nfs/dbraw/zinc/95/63/52/468956352.db2.gz CSKZPCDQECBXFH-DJIMGWMZSA-N 2 2 341.459 2.361 10 0 EEAELP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588973657 469185088 /nfs/dbraw/zinc/18/50/88/469185088.db2.gz LKARGALFNRPGCD-BZUAXINKSA-N 2 2 347.507 2.385 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000573709366 469191526 /nfs/dbraw/zinc/19/15/26/469191526.db2.gz XCDXZIJPSDCSAC-KFWWJZLASA-N 2 2 342.443 2.354 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000573709366 469191534 /nfs/dbraw/zinc/19/15/34/469191534.db2.gz XCDXZIJPSDCSAC-KFWWJZLASA-N 2 2 342.443 2.354 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCSCCOC)CC1 ZINC000599664181 469331302 /nfs/dbraw/zinc/33/13/02/469331302.db2.gz OONSYWHNSLSFNG-UHFFFAOYSA-N 2 2 330.538 2.333 10 0 EEAELP C[NH+]1CCC(C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC1 ZINC000629386340 469527582 /nfs/dbraw/zinc/52/75/82/469527582.db2.gz YOBQCEJIYLWYEX-UHFFFAOYSA-N 2 2 340.471 2.154 10 0 EEAELP CCc1ccc([C@@H](C[NH+]2CCOCC2)N[C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000629527535 469572938 /nfs/dbraw/zinc/57/29/38/469572938.db2.gz YAEDLSUQSRYZJI-XUVXKRRUSA-N 2 2 331.504 2.352 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583474 469583972 /nfs/dbraw/zinc/58/39/72/469583972.db2.gz AETCMCJWPPLWLA-NWANAAGOSA-N 2 2 345.531 2.391 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583474 469583974 /nfs/dbraw/zinc/58/39/74/469583974.db2.gz AETCMCJWPPLWLA-NWANAAGOSA-N 2 2 345.531 2.391 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1(C)C ZINC000623470743 469667062 /nfs/dbraw/zinc/66/70/62/469667062.db2.gz ZSHGIWMRBZLHSH-VXGBXAGGSA-N 2 2 347.467 2.404 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1(C)C ZINC000623470743 469667065 /nfs/dbraw/zinc/66/70/65/469667065.db2.gz ZSHGIWMRBZLHSH-VXGBXAGGSA-N 2 2 347.467 2.404 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[C@@H]3CC=CCC3)C2)CC1 ZINC000623638471 469719702 /nfs/dbraw/zinc/71/97/02/469719702.db2.gz GUCDXGYIEBGUEE-IAGOWNOFSA-N 2 2 334.508 2.201 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[C@@H]3CC=CCC3)C2)CC1 ZINC000623638471 469719704 /nfs/dbraw/zinc/71/97/04/469719704.db2.gz GUCDXGYIEBGUEE-IAGOWNOFSA-N 2 2 334.508 2.201 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1cccc2ccccc21 ZINC000617768567 469799076 /nfs/dbraw/zinc/79/90/76/469799076.db2.gz JVZTTWTWLZFPMF-UHFFFAOYSA-N 2 2 343.471 2.218 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1cccc2ccccc21 ZINC000617768567 469799080 /nfs/dbraw/zinc/79/90/80/469799080.db2.gz JVZTTWTWLZFPMF-UHFFFAOYSA-N 2 2 343.471 2.218 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000624086665 469837281 /nfs/dbraw/zinc/83/72/81/469837281.db2.gz QKDJATMPTWDYRZ-KBPBESRZSA-N 2 2 339.842 2.396 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000624086665 469837285 /nfs/dbraw/zinc/83/72/85/469837285.db2.gz QKDJATMPTWDYRZ-KBPBESRZSA-N 2 2 339.842 2.396 10 0 EEAELP CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631181244 470087671 /nfs/dbraw/zinc/08/76/71/470087671.db2.gz OFGPUYRIZHNDDW-FXAWDEMLSA-N 2 2 346.471 2.055 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000621911062 470127469 /nfs/dbraw/zinc/12/74/69/470127469.db2.gz ROHVMGKKNNQMAP-GDBMZVCRSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000621911062 470127471 /nfs/dbraw/zinc/12/74/71/470127471.db2.gz ROHVMGKKNNQMAP-GDBMZVCRSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000621911062 470127474 /nfs/dbraw/zinc/12/74/74/470127474.db2.gz ROHVMGKKNNQMAP-GDBMZVCRSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C[N@H+]1Cc1ccccc1 ZINC000621911062 470127476 /nfs/dbraw/zinc/12/74/76/470127476.db2.gz ROHVMGKKNNQMAP-GDBMZVCRSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000631842451 470187023 /nfs/dbraw/zinc/18/70/23/470187023.db2.gz AOBDEBGYHNZRGE-UWVGGRQHSA-N 2 2 344.228 2.053 10 0 EEAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000631842451 470187024 /nfs/dbraw/zinc/18/70/24/470187024.db2.gz AOBDEBGYHNZRGE-UWVGGRQHSA-N 2 2 344.228 2.053 10 0 EEAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844557 470187230 /nfs/dbraw/zinc/18/72/30/470187230.db2.gz YATBIEWMLOFART-NWDGAFQWSA-N 2 2 340.265 2.223 10 0 EEAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631844557 470187231 /nfs/dbraw/zinc/18/72/31/470187231.db2.gz YATBIEWMLOFART-NWDGAFQWSA-N 2 2 340.265 2.223 10 0 EEAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844556 470187416 /nfs/dbraw/zinc/18/74/16/470187416.db2.gz YATBIEWMLOFART-NEPJUHHUSA-N 2 2 340.265 2.223 10 0 EEAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631844556 470187417 /nfs/dbraw/zinc/18/74/17/470187417.db2.gz YATBIEWMLOFART-NEPJUHHUSA-N 2 2 340.265 2.223 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N[C@H]1CCCc2ccccc21 ZINC000631888121 470189774 /nfs/dbraw/zinc/18/97/74/470189774.db2.gz WNEPIHSZDNNDMJ-NEWSRXKRSA-N 2 2 327.472 2.254 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N[C@H]1CCCc2ccccc21 ZINC000631888121 470189775 /nfs/dbraw/zinc/18/97/75/470189775.db2.gz WNEPIHSZDNNDMJ-NEWSRXKRSA-N 2 2 327.472 2.254 10 0 EEAELP CC(=O)C(C)(C)CCC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634196237 470230602 /nfs/dbraw/zinc/23/06/02/470230602.db2.gz QSCDQACSCHBTLA-UHFFFAOYSA-N 2 2 332.448 2.167 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634712148 470284052 /nfs/dbraw/zinc/28/40/52/470284052.db2.gz ZQPBNVROJNNJKY-XFWGSAIBSA-N 2 2 332.488 2.009 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634712148 470284055 /nfs/dbraw/zinc/28/40/55/470284055.db2.gz ZQPBNVROJNNJKY-XFWGSAIBSA-N 2 2 332.488 2.009 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000648839016 470365776 /nfs/dbraw/zinc/36/57/76/470365776.db2.gz GSOZSEYIPDENHZ-HUUCEWRRSA-N 2 2 327.432 2.187 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000648891063 470384111 /nfs/dbraw/zinc/38/41/11/470384111.db2.gz BEPCMHUTHQUMRN-INIZCTEOSA-N 2 2 341.459 2.449 10 0 EEAELP COCC[N@@H+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C(C)(C)C1 ZINC000633579053 470517064 /nfs/dbraw/zinc/51/70/64/470517064.db2.gz BMJXSSZVOVSUQG-UHFFFAOYSA-N 2 2 342.443 2.260 10 0 EEAELP COCC[N@H+]1CCN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)C(C)(C)C1 ZINC000633579053 470517068 /nfs/dbraw/zinc/51/70/68/470517068.db2.gz BMJXSSZVOVSUQG-UHFFFAOYSA-N 2 2 342.443 2.260 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647179057 470849715 /nfs/dbraw/zinc/84/97/15/470849715.db2.gz ZZHXCFZGWKQIDA-MRXNPFEDSA-N 2 2 332.448 2.189 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647179057 470849719 /nfs/dbraw/zinc/84/97/19/470849719.db2.gz ZZHXCFZGWKQIDA-MRXNPFEDSA-N 2 2 332.448 2.189 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000647246559 470866356 /nfs/dbraw/zinc/86/63/56/470866356.db2.gz JRBXJLMWDYGTPE-IMFGXOCKSA-N 2 2 332.488 2.417 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000647246559 470866360 /nfs/dbraw/zinc/86/63/60/470866360.db2.gz JRBXJLMWDYGTPE-IMFGXOCKSA-N 2 2 332.488 2.417 10 0 EEAELP C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3C[NH2+]C[C@@H](C)C3)cc2)C[C@@H](C)O1 ZINC000647551071 470929536 /nfs/dbraw/zinc/92/95/36/470929536.db2.gz XGMYQUIWULSKQG-WFXMFSGNSA-N 2 2 345.487 2.024 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000644784030 471039336 /nfs/dbraw/zinc/03/93/36/471039336.db2.gz YQYKNAWQAWJHPI-PMACEKPBSA-N 2 2 332.488 2.228 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000644784030 471039342 /nfs/dbraw/zinc/03/93/42/471039342.db2.gz YQYKNAWQAWJHPI-PMACEKPBSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000644784030 471039347 /nfs/dbraw/zinc/03/93/47/471039347.db2.gz YQYKNAWQAWJHPI-PMACEKPBSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000644784030 471039352 /nfs/dbraw/zinc/03/93/52/471039352.db2.gz YQYKNAWQAWJHPI-PMACEKPBSA-N 2 2 332.488 2.228 10 0 EEAELP COc1cc2c(cc1C[N@@H+]1CCOC3(CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000648071599 471074856 /nfs/dbraw/zinc/07/48/56/471074856.db2.gz KCIRCDRDBIRGSJ-OAHLLOKOSA-N 2 2 346.471 2.315 10 0 EEAELP COc1cc2c(cc1C[N@H+]1CCOC3(CC[NH+](C)CC3)C1)O[C@H](C)C2 ZINC000648071599 471074859 /nfs/dbraw/zinc/07/48/59/471074859.db2.gz KCIRCDRDBIRGSJ-OAHLLOKOSA-N 2 2 346.471 2.315 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc(O)c2Cl)C1=O ZINC000645171987 471163987 /nfs/dbraw/zinc/16/39/87/471163987.db2.gz ULRSDEHZFDIQTJ-CYBMUJFWSA-N 2 2 348.834 2.060 10 0 EEAELP O[C@@]1(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCOC1 ZINC000651943223 471179026 /nfs/dbraw/zinc/17/90/26/471179026.db2.gz KBWHMUILNLYIKH-SFHVURJKSA-N 2 2 338.879 2.436 10 0 EEAELP O[C@]1(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOC1 ZINC000651944568 471180897 /nfs/dbraw/zinc/18/08/97/471180897.db2.gz ZATRDAMSCFRAFE-GOSISDBHSA-N 2 2 338.879 2.436 10 0 EEAELP CC(C)c1cc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)nc(C(C)C)[nH+]1 ZINC000645358280 471225183 /nfs/dbraw/zinc/22/51/83/471225183.db2.gz CHPXLGIZXCOOIU-CQSZACIVSA-N 2 2 333.480 2.280 10 0 EEAELP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000658114266 471267023 /nfs/dbraw/zinc/26/70/23/471267023.db2.gz JIFRXAFZYGGKDQ-CGTJXYLNSA-N 2 2 333.476 2.206 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C[C@H]1C[NH3+] ZINC000652357862 471278508 /nfs/dbraw/zinc/27/85/08/471278508.db2.gz IYQDLKQXNAYCEK-WOSRLPQWSA-N 2 2 339.867 2.271 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2C)C[C@H]1C[NH3+] ZINC000652357862 471278509 /nfs/dbraw/zinc/27/85/09/471278509.db2.gz IYQDLKQXNAYCEK-WOSRLPQWSA-N 2 2 339.867 2.271 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355452 471278523 /nfs/dbraw/zinc/27/85/23/471278523.db2.gz YDUZOHAVWUANHZ-ZIAGYGMSSA-N 2 2 337.430 2.483 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355452 471278524 /nfs/dbraw/zinc/27/85/24/471278524.db2.gz YDUZOHAVWUANHZ-ZIAGYGMSSA-N 2 2 337.430 2.483 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C[NH3+] ZINC000652358327 471278862 /nfs/dbraw/zinc/27/88/62/471278862.db2.gz WWJBBJNOORJCSV-BRWVUGGUSA-N 2 2 333.476 2.234 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C[NH3+] ZINC000652358327 471278863 /nfs/dbraw/zinc/27/88/63/471278863.db2.gz WWJBBJNOORJCSV-BRWVUGGUSA-N 2 2 333.476 2.234 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655240719 471289145 /nfs/dbraw/zinc/28/91/45/471289145.db2.gz CHWDMIFXKBPKIO-XUWVNRHRSA-N 2 2 336.480 2.011 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655240719 471289147 /nfs/dbraw/zinc/28/91/47/471289147.db2.gz CHWDMIFXKBPKIO-XUWVNRHRSA-N 2 2 336.480 2.011 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000652617221 471315157 /nfs/dbraw/zinc/31/51/57/471315157.db2.gz ZUANNTCSYLIHHI-LBPRGKRZSA-N 2 2 325.376 2.366 10 0 EEAELP CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000663524231 471411632 /nfs/dbraw/zinc/41/16/32/471411632.db2.gz ULWOMLIIORLYKU-IRXDYDNUSA-N 2 2 341.459 2.245 10 0 EEAELP CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000663524231 471411639 /nfs/dbraw/zinc/41/16/39/471411639.db2.gz ULWOMLIIORLYKU-IRXDYDNUSA-N 2 2 341.459 2.245 10 0 EEAELP c1cn(Cc2ccccc2)nc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655766483 471474852 /nfs/dbraw/zinc/47/48/52/471474852.db2.gz RPAJONMCLOUUTI-FQEVSTJZSA-N 2 2 340.471 2.274 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667046705 471635123 /nfs/dbraw/zinc/63/51/23/471635123.db2.gz FSEJKDJBNGMEEX-ZNMIVQPWSA-N 2 2 332.492 2.387 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667046705 471635131 /nfs/dbraw/zinc/63/51/31/471635131.db2.gz FSEJKDJBNGMEEX-ZNMIVQPWSA-N 2 2 332.492 2.387 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667046705 471635137 /nfs/dbraw/zinc/63/51/37/471635137.db2.gz FSEJKDJBNGMEEX-ZNMIVQPWSA-N 2 2 332.492 2.387 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667046705 471635140 /nfs/dbraw/zinc/63/51/40/471635140.db2.gz FSEJKDJBNGMEEX-ZNMIVQPWSA-N 2 2 332.492 2.387 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000659471472 471645404 /nfs/dbraw/zinc/64/54/04/471645404.db2.gz DWSNXYCFQZAVGP-RDJZCZTQSA-N 2 2 329.448 2.148 10 0 EEAELP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000659475683 471647197 /nfs/dbraw/zinc/64/71/97/471647197.db2.gz PDZRZIGMFQONDX-LSDHHAIUSA-N 2 2 340.418 2.089 10 0 EEAELP CN(CC(C)(C)[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000659475683 471647202 /nfs/dbraw/zinc/64/72/02/471647202.db2.gz PDZRZIGMFQONDX-LSDHHAIUSA-N 2 2 340.418 2.089 10 0 EEAELP C[C@@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667254788 471711388 /nfs/dbraw/zinc/71/13/88/471711388.db2.gz ZWQQRZBPCAZZJA-WBVHZDCISA-N 2 2 341.459 2.397 10 0 EEAELP C[C@@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667254788 471711394 /nfs/dbraw/zinc/71/13/94/471711394.db2.gz ZWQQRZBPCAZZJA-WBVHZDCISA-N 2 2 341.459 2.397 10 0 EEAELP CCN1CC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000656488168 471732796 /nfs/dbraw/zinc/73/27/96/471732796.db2.gz LQJBSSCWJCYSRV-ROUUACIJSA-N 2 2 326.444 2.452 10 0 EEAELP O[C@@]1(C2CC2)CCC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000661631762 471834561 /nfs/dbraw/zinc/83/45/61/471834561.db2.gz LFMADPYJWOQBLE-FQEVSTJZSA-N 2 2 330.472 2.256 10 0 EEAELP O[C@@]1(C2CC2)CCC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000661631762 471834567 /nfs/dbraw/zinc/83/45/67/471834567.db2.gz LFMADPYJWOQBLE-FQEVSTJZSA-N 2 2 330.472 2.256 10 0 EEAELP CN(Cc1ccnn1-c1cc[nH+]cc1)CC(C)(C)C[NH+]1CCOCC1 ZINC000667680764 471865018 /nfs/dbraw/zinc/86/50/18/471865018.db2.gz QNIBBJWURBPTGT-UHFFFAOYSA-N 2 2 343.475 2.058 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000660339553 471950197 /nfs/dbraw/zinc/95/01/97/471950197.db2.gz JFEHOUSTVDQQJG-MRXNPFEDSA-N 2 2 345.491 2.354 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000660339553 471950203 /nfs/dbraw/zinc/95/02/03/471950203.db2.gz JFEHOUSTVDQQJG-MRXNPFEDSA-N 2 2 345.491 2.354 10 0 EEAELP c1cc(C[N@H+]2CCOC3(CCOCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667996937 471975151 /nfs/dbraw/zinc/97/51/51/471975151.db2.gz AVMOBSCBCWFTBO-UHFFFAOYSA-N 2 2 328.416 2.039 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)c2[nH+]ccn2C)cc1F ZINC000665260189 471983527 /nfs/dbraw/zinc/98/35/27/471983527.db2.gz YYZVNLCPPZFWIC-INWMFGNUSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1[nH+]ccn1C ZINC000662098784 471985906 /nfs/dbraw/zinc/98/59/06/471985906.db2.gz AJFFWOYARBVVOO-MRXNPFEDSA-N 2 2 341.459 2.051 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@]3(F)c3ccccc3)C2)CC1 ZINC000665295172 471994073 /nfs/dbraw/zinc/99/40/73/471994073.db2.gz WQXBDNPCOHTTRO-HQRMLTQVSA-N 2 2 345.462 2.156 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@]3(F)c3ccccc3)C2)CC1 ZINC000665295172 471994075 /nfs/dbraw/zinc/99/40/75/471994075.db2.gz WQXBDNPCOHTTRO-HQRMLTQVSA-N 2 2 345.462 2.156 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316099 472067289 /nfs/dbraw/zinc/06/72/89/472067289.db2.gz IHFLCEBVKTXGOI-SJLPKXTDSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316099 472067292 /nfs/dbraw/zinc/06/72/92/472067292.db2.gz IHFLCEBVKTXGOI-SJLPKXTDSA-N 2 2 345.487 2.007 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000662364357 472085541 /nfs/dbraw/zinc/08/55/41/472085541.db2.gz HMWKRNLMGFSHJU-OCCSQVGLSA-N 2 2 340.493 2.066 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000662364357 472085545 /nfs/dbraw/zinc/08/55/45/472085545.db2.gz HMWKRNLMGFSHJU-OCCSQVGLSA-N 2 2 340.493 2.066 10 0 EEAELP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000662811498 472263473 /nfs/dbraw/zinc/26/34/73/472263473.db2.gz YRFBHZZTQMZQTA-MRXNPFEDSA-N 2 2 335.879 2.202 10 0 EEAELP CC1(C)CC[NH2+][C@@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000662811498 472263476 /nfs/dbraw/zinc/26/34/76/472263476.db2.gz YRFBHZZTQMZQTA-MRXNPFEDSA-N 2 2 335.879 2.202 10 0 EEAELP C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1Br)c1[nH+]ccn1C ZINC000662934378 472302686 /nfs/dbraw/zinc/30/26/86/472302686.db2.gz NSFUXTIIBBHLJJ-JOYOIKCWSA-N 2 2 337.221 2.060 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673664468 485491562 /nfs/dbraw/zinc/49/15/62/485491562.db2.gz AQBYNTYKQPUVOX-ZHALLVOQSA-N 2 2 344.503 2.425 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673664468 485491569 /nfs/dbraw/zinc/49/15/69/485491569.db2.gz AQBYNTYKQPUVOX-ZHALLVOQSA-N 2 2 344.503 2.425 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862346 485559005 /nfs/dbraw/zinc/55/90/05/485559005.db2.gz YWPPAWXTGDOAIR-UHFFFAOYSA-N 2 2 337.387 2.050 10 0 EEAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045080 485571810 /nfs/dbraw/zinc/57/18/10/485571810.db2.gz SEFLTIPXYPFOBY-RXVVDRJESA-N 3 2 345.531 2.333 10 0 EEAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045080 485571815 /nfs/dbraw/zinc/57/18/15/485571815.db2.gz SEFLTIPXYPFOBY-RXVVDRJESA-N 3 2 345.531 2.333 10 0 EEAELP C[N@@H+]1CC[C@@H](Nc2nc(N3CCOCC3)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000683752882 485629070 /nfs/dbraw/zinc/62/90/70/485629070.db2.gz DQJHILPOOVEETH-AEFFLSMTSA-N 2 2 339.443 2.171 10 0 EEAELP C[N@H+]1CC[C@@H](Nc2nc(N3CCOCC3)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000683752882 485629077 /nfs/dbraw/zinc/62/90/77/485629077.db2.gz DQJHILPOOVEETH-AEFFLSMTSA-N 2 2 339.443 2.171 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000629572132 485735264 /nfs/dbraw/zinc/73/52/64/485735264.db2.gz WVYYMNMTXVFNLY-UHFFFAOYSA-N 2 2 335.473 2.487 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)Cc1csc(-c2ccccc2OC)n1 ZINC000629572132 485735272 /nfs/dbraw/zinc/73/52/72/485735272.db2.gz WVYYMNMTXVFNLY-UHFFFAOYSA-N 2 2 335.473 2.487 10 0 EEAELP CN(C[C@@H]1CC=CCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680082925 485883819 /nfs/dbraw/zinc/88/38/19/485883819.db2.gz BDRQDWPGUWNJIG-SJORKVTESA-N 2 2 334.508 2.153 10 0 EEAELP CN(C[C@@H]1CC=CCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680082925 485883822 /nfs/dbraw/zinc/88/38/22/485883822.db2.gz BDRQDWPGUWNJIG-SJORKVTESA-N 2 2 334.508 2.153 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000671624641 485954789 /nfs/dbraw/zinc/95/47/89/485954789.db2.gz DVCRYXKPPRZBAT-LSDHHAIUSA-N 2 2 342.443 2.498 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](CCO)C1 ZINC000671624641 485954795 /nfs/dbraw/zinc/95/47/95/485954795.db2.gz DVCRYXKPPRZBAT-LSDHHAIUSA-N 2 2 342.443 2.498 10 0 EEAELP COCC1([N@H+](C)CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000677726661 486483856 /nfs/dbraw/zinc/48/38/56/486483856.db2.gz OJKJTAZTMAJUEM-KRWDZBQOSA-N 2 2 345.487 2.003 10 0 EEAELP COCC1([N@@H+](C)CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000677726661 486483859 /nfs/dbraw/zinc/48/38/59/486483859.db2.gz OJKJTAZTMAJUEM-KRWDZBQOSA-N 2 2 345.487 2.003 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174306648 534679644 /nfs/dbraw/zinc/67/96/44/534679644.db2.gz XIHPJNVSEPKXRX-KRWDZBQOSA-N 2 2 337.427 2.028 10 0 EEAELP CC(C)[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000171476344 528366178 /nfs/dbraw/zinc/36/61/78/528366178.db2.gz WWCCCUQRQCMBFT-SFHVURJKSA-N 2 2 341.459 2.394 10 0 EEAELP C[NH+](C)C1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[NH2+]4)[nH+]c2)CC1 ZINC000422952589 536115153 /nfs/dbraw/zinc/11/51/53/536115153.db2.gz BKUAYRWRRYBGQO-XYPWUTKMSA-N 3 2 329.492 2.307 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000765107702 577495167 /nfs/dbraw/zinc/49/51/67/577495167.db2.gz UOICHMVWENGGPX-WBVHZDCISA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000765107702 577495168 /nfs/dbraw/zinc/49/51/68/577495168.db2.gz UOICHMVWENGGPX-WBVHZDCISA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000765107702 577495169 /nfs/dbraw/zinc/49/51/69/577495169.db2.gz UOICHMVWENGGPX-WBVHZDCISA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000765107702 577495170 /nfs/dbraw/zinc/49/51/70/577495170.db2.gz UOICHMVWENGGPX-WBVHZDCISA-N 2 2 342.443 2.197 10 0 EEAELP CN(CCC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1)c1cc[nH+]cc1 ZINC000769771315 577584009 /nfs/dbraw/zinc/58/40/09/577584009.db2.gz JBFCXHRDHIAQMD-HNNXBMFYSA-N 2 2 327.432 2.048 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000176075626 676849734 /nfs/dbraw/zinc/84/97/34/676849734.db2.gz ITUUBVBNZLYJBI-VQIMIIECSA-N 2 2 346.475 2.425 10 0 EEAELP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OC)n1 ZINC000924900272 681336503 /nfs/dbraw/zinc/33/65/03/681336503.db2.gz BTCKQYMGHGPGOJ-NVXWUHKLSA-N 2 2 348.491 2.074 10 0 EEAELP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OC)n1 ZINC000924900272 681336505 /nfs/dbraw/zinc/33/65/05/681336505.db2.gz BTCKQYMGHGPGOJ-NVXWUHKLSA-N 2 2 348.491 2.074 10 0 EEAELP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1(F)F ZINC000895458799 684607516 /nfs/dbraw/zinc/60/75/16/684607516.db2.gz SCVNBTJIHMXICU-KKUMJFAQSA-N 2 2 330.419 2.427 10 0 EEAELP COC(=O)[C@@H]1[C@H](C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1(F)F ZINC000895458799 684607517 /nfs/dbraw/zinc/60/75/17/684607517.db2.gz SCVNBTJIHMXICU-KKUMJFAQSA-N 2 2 330.419 2.427 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c[nH+]1 ZINC000896781085 685241652 /nfs/dbraw/zinc/24/16/52/685241652.db2.gz MPOIICXBWYUBBO-UHFFFAOYSA-N 2 2 348.491 2.030 10 0 EEAELP Cc1cnc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)s1 ZINC001485576018 1191853448 /nfs/dbraw/zinc/85/34/48/1191853448.db2.gz ASBMVFJEQNPAKZ-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1cnc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)s1 ZINC001485576018 1191853449 /nfs/dbraw/zinc/85/34/49/1191853449.db2.gz ASBMVFJEQNPAKZ-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1nc(C[NH2+][C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C(C)C)cs1 ZINC001485789931 1191953881 /nfs/dbraw/zinc/95/38/81/1191953881.db2.gz FIJTULJDOVRNKI-OAHLLOKOSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1cccn2cc(CC(=O)NCC[C@@H]([NH2+]CCF)C(C)C)[nH+]c12 ZINC001485790732 1191954167 /nfs/dbraw/zinc/95/41/67/1191954167.db2.gz GNYZNLMWYXBZLH-MRXNPFEDSA-N 2 2 334.439 2.275 10 0 EEAELP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691174631 1177671264 /nfs/dbraw/zinc/67/12/64/1177671264.db2.gz ACUPSMUTVYTEBX-QBPKDAKJSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001267154026 1178335582 /nfs/dbraw/zinc/33/55/82/1178335582.db2.gz VLVCNPMPEMJMJF-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(Cl)c(F)c1 ZINC001481019874 1179510451 /nfs/dbraw/zinc/51/04/51/1179510451.db2.gz BHOUYDCZBHJQPF-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(Cl)c(F)c1 ZINC001481019874 1179510457 /nfs/dbraw/zinc/51/04/57/1179510457.db2.gz BHOUYDCZBHJQPF-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1Cc1nccs1 ZINC001481043999 1179615080 /nfs/dbraw/zinc/61/50/80/1179615080.db2.gz HWNVRCRGTKTLNO-CABCVRRESA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1Cc1nccs1 ZINC001481043999 1179615084 /nfs/dbraw/zinc/61/50/84/1179615084.db2.gz HWNVRCRGTKTLNO-CABCVRRESA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC001481043999 1179615088 /nfs/dbraw/zinc/61/50/88/1179615088.db2.gz HWNVRCRGTKTLNO-CABCVRRESA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC001481043999 1179615091 /nfs/dbraw/zinc/61/50/91/1179615091.db2.gz HWNVRCRGTKTLNO-CABCVRRESA-N 2 2 336.505 2.098 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)CCc1c[nH]c[nH+]1 ZINC001481237674 1180391645 /nfs/dbraw/zinc/39/16/45/1180391645.db2.gz NHIJHZFCSHPXBG-KRWDZBQOSA-N 2 2 348.397 2.356 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)CCc1c[nH+]c[nH]1 ZINC001481237674 1180391653 /nfs/dbraw/zinc/39/16/53/1180391653.db2.gz NHIJHZFCSHPXBG-KRWDZBQOSA-N 2 2 348.397 2.356 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001267830296 1180599291 /nfs/dbraw/zinc/59/92/91/1180599291.db2.gz BWLRHXPQKGNKPJ-MRXNPFEDSA-N 2 2 325.416 2.049 10 0 EEAELP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ncc(C(C)(C)C)o1)[NH+](C)C ZINC001481276830 1180656355 /nfs/dbraw/zinc/65/63/55/1180656355.db2.gz DQKZDURWZQGBDV-MRXNPFEDSA-N 2 2 338.496 2.106 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001481290747 1180902757 /nfs/dbraw/zinc/90/27/57/1180902757.db2.gz QAMWPMVQVGBLGU-KGLIPLIRSA-N 2 2 342.434 2.462 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001481290747 1180902763 /nfs/dbraw/zinc/90/27/63/1180902763.db2.gz QAMWPMVQVGBLGU-KGLIPLIRSA-N 2 2 342.434 2.462 10 0 EEAELP C[C@@H]([NH2+]CC[C@@H]1CCCCO1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001481345877 1181081160 /nfs/dbraw/zinc/08/11/60/1181081160.db2.gz IFVVSXVIMSGPDA-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP C[N@@H+](CC(=O)NC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1)Cc1ccccc1 ZINC001481606015 1181856134 /nfs/dbraw/zinc/85/61/34/1181856134.db2.gz JLQIWSFADHNDRI-CEXWTWQISA-N 2 2 341.499 2.355 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001268292892 1182183398 /nfs/dbraw/zinc/18/33/98/1182183398.db2.gz VOIHBKVAEAKPMU-MSOLQXFVSA-N 2 2 340.471 2.378 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]CC[C@@H]3CCCO3)ccn12 ZINC001268364267 1182335724 /nfs/dbraw/zinc/33/57/24/1182335724.db2.gz BXTMGQHBPDMAPR-PBHICJAKSA-N 2 2 344.459 2.310 10 0 EEAELP CCN(CC[NH2+]Cc1ncccc1C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268480886 1182931314 /nfs/dbraw/zinc/93/13/14/1182931314.db2.gz PRJLQSBRKNKGNM-MRXNPFEDSA-N 2 2 329.448 2.176 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001481946348 1183010702 /nfs/dbraw/zinc/01/07/02/1183010702.db2.gz LLCYBZRFCKTHQN-LJQANCHMSA-N 2 2 332.492 2.273 10 0 EEAELP O=C(NCC=CC[NH2+]CCc1ccns1)c1cc2c[nH+]ccc2[nH]1 ZINC001268554896 1183245424 /nfs/dbraw/zinc/24/54/24/1183245424.db2.gz FWHWNGLPUAVMSF-OWOJBTEDSA-N 2 2 341.440 2.138 10 0 EEAELP CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]Cc1cncs1 ZINC001269403700 1184239583 /nfs/dbraw/zinc/23/95/83/1184239583.db2.gz YTWUOPNLYRMDLO-CQSZACIVSA-N 2 2 343.456 2.397 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001269787191 1184619845 /nfs/dbraw/zinc/61/98/45/1184619845.db2.gz ZAJVEKBXRHUHSE-VWLVURMCSA-N 2 2 345.274 2.490 10 0 EEAELP CC/C=C/CC[NH+]1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001269849378 1184665923 /nfs/dbraw/zinc/66/59/23/1184665923.db2.gz PMCDYAVYHWAZLG-SNAWJCMRSA-N 2 2 346.475 2.383 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001270526187 1185146586 /nfs/dbraw/zinc/14/65/86/1185146586.db2.gz PFPKDXFVAIOXSA-CYBMUJFWSA-N 2 2 334.851 2.190 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001270613321 1185204634 /nfs/dbraw/zinc/20/46/34/1185204634.db2.gz ZHBGBEZKHCGXAO-WMZOPIPTSA-N 2 2 340.471 2.345 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001482353724 1185489872 /nfs/dbraw/zinc/48/98/72/1185489872.db2.gz KPWUXRXIIBACAG-CYBMUJFWSA-N 2 2 332.423 2.463 10 0 EEAELP C[C@H]([NH2+]CCOC1CCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001482471626 1185998737 /nfs/dbraw/zinc/99/87/37/1185998737.db2.gz KXAXLXCSNHCTPO-HOTGVXAUSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]([NH2+]CCOC1CCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001482471626 1185998742 /nfs/dbraw/zinc/99/87/42/1185998742.db2.gz KXAXLXCSNHCTPO-HOTGVXAUSA-N 2 2 348.491 2.128 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001271503638 1186275097 /nfs/dbraw/zinc/27/50/97/1186275097.db2.gz AQVCIZPGDUGHMJ-IRXDYDNUSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001271503638 1186275100 /nfs/dbraw/zinc/27/51/00/1186275100.db2.gz AQVCIZPGDUGHMJ-IRXDYDNUSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CCc1ccccc1 ZINC001271740139 1186453357 /nfs/dbraw/zinc/45/33/57/1186453357.db2.gz SAGTYSSSBDEADA-FUHWJXTLSA-N 2 2 340.471 2.412 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001482970303 1187911014 /nfs/dbraw/zinc/91/10/14/1187911014.db2.gz SFVYSDHCORHKHB-INIZCTEOSA-N 2 2 348.491 2.365 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001482970303 1187911017 /nfs/dbraw/zinc/91/10/17/1187911017.db2.gz SFVYSDHCORHKHB-INIZCTEOSA-N 2 2 348.491 2.365 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(Cl)c1F)C(=O)Cn1cc[nH+]c1 ZINC001482972244 1187912865 /nfs/dbraw/zinc/91/28/65/1187912865.db2.gz VSIDICYEZHGBND-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP CC[C@H](C)C[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483009788 1187992233 /nfs/dbraw/zinc/99/22/33/1187992233.db2.gz DYVLBLQGRYPBGM-DEUPEYTOSA-N 2 2 333.480 2.098 10 0 EEAELP CC[C@H](C)C[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001483009788 1187992240 /nfs/dbraw/zinc/99/22/40/1187992240.db2.gz DYVLBLQGRYPBGM-DEUPEYTOSA-N 2 2 333.480 2.098 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+]Cc1cc(O)ccc1Cl ZINC001483092687 1188460640 /nfs/dbraw/zinc/46/06/40/1188460640.db2.gz IGUWWYJCGLQIPR-NSCUHMNNSA-N 2 2 348.834 2.013 10 0 EEAELP C[NH+](C)C1(C(=O)NC[C@H]2COCC[N@@H+]2CCC2=CCCCC2)CCC1 ZINC001272869047 1193584085 /nfs/dbraw/zinc/58/40/85/1193584085.db2.gz JDJJAINMAJAPDC-SFHVURJKSA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+](C)C1(C(=O)NC[C@H]2COCC[N@H+]2CCC2=CCCCC2)CCC1 ZINC001272869047 1193584088 /nfs/dbraw/zinc/58/40/88/1193584088.db2.gz JDJJAINMAJAPDC-SFHVURJKSA-N 2 2 349.519 2.178 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1C)[C@H](C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001485835941 1193590332 /nfs/dbraw/zinc/59/03/32/1193590332.db2.gz ZWKXBDUOEUVFSO-CYBMUJFWSA-N 2 2 345.274 2.108 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409468991 1189754355 /nfs/dbraw/zinc/75/43/55/1189754355.db2.gz MVKMUMZYEXSYKT-HUUCEWRRSA-N 2 2 343.475 2.393 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001409472379 1189786918 /nfs/dbraw/zinc/78/69/18/1189786918.db2.gz RSUCMWSHADAZFA-WDEREUQCSA-N 2 2 336.386 2.222 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCC1CCCC1 ZINC001409584429 1190075827 /nfs/dbraw/zinc/07/58/27/1190075827.db2.gz NUEGWWXQLIPUBG-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCC1CCCC1 ZINC001409584429 1190075832 /nfs/dbraw/zinc/07/58/32/1190075832.db2.gz NUEGWWXQLIPUBG-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[N@H+](C)CCc1ccccc1 ZINC001409657301 1190155507 /nfs/dbraw/zinc/15/55/07/1190155507.db2.gz OCSKDUXKCFUNPS-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[N@@H+](C)CCc1ccccc1 ZINC001409657301 1190155510 /nfs/dbraw/zinc/15/55/10/1190155510.db2.gz OCSKDUXKCFUNPS-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[N@H+](C)CCc1ccccc1 ZINC001409657301 1190155514 /nfs/dbraw/zinc/15/55/14/1190155514.db2.gz OCSKDUXKCFUNPS-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[N@@H+](C)CCc1ccccc1 ZINC001409657301 1190155516 /nfs/dbraw/zinc/15/55/16/1190155516.db2.gz OCSKDUXKCFUNPS-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1F ZINC001483273261 1190298364 /nfs/dbraw/zinc/29/83/64/1190298364.db2.gz CHKWBIOCRGZQEA-STQMWFEESA-N 2 2 348.422 2.031 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1F ZINC001483273261 1190298366 /nfs/dbraw/zinc/29/83/66/1190298366.db2.gz CHKWBIOCRGZQEA-STQMWFEESA-N 2 2 348.422 2.031 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001483495368 1190511851 /nfs/dbraw/zinc/51/18/51/1190511851.db2.gz XPCMUKZSJRRIDP-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1)c1cccc(F)c1 ZINC001483739319 1190887191 /nfs/dbraw/zinc/88/71/91/1190887191.db2.gz BGVFUXNLTPMKFS-ZDUSSCGKSA-N 2 2 330.407 2.481 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CC1)c1cccc(F)c1 ZINC001483739319 1190887192 /nfs/dbraw/zinc/88/71/92/1190887192.db2.gz BGVFUXNLTPMKFS-ZDUSSCGKSA-N 2 2 330.407 2.481 10 0 EEAELP C[C@@H](F)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001483847460 1191082384 /nfs/dbraw/zinc/08/23/84/1191082384.db2.gz LDPOZMHYTXWADU-AEFFLSMTSA-N 2 2 336.455 2.336 10 0 EEAELP C[C@@H](F)CC[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001483847460 1191082388 /nfs/dbraw/zinc/08/23/88/1191082388.db2.gz LDPOZMHYTXWADU-AEFFLSMTSA-N 2 2 336.455 2.336 10 0 EEAELP Cc1nc(C)c(C[NH+]2CC(N(C)C(=O)CCCC[NH+](C)C)C2)s1 ZINC001483888689 1191110124 /nfs/dbraw/zinc/11/01/24/1191110124.db2.gz FAFMRLSRAWACFY-UHFFFAOYSA-N 2 2 338.521 2.134 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001484072755 1191193789 /nfs/dbraw/zinc/19/37/89/1191193789.db2.gz BMSNDGMNYKFOAD-INIZCTEOSA-N 2 2 340.418 2.289 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001484072755 1191193791 /nfs/dbraw/zinc/19/37/91/1191193791.db2.gz BMSNDGMNYKFOAD-INIZCTEOSA-N 2 2 340.418 2.289 10 0 EEAELP C[C@H](CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001484113475 1191214033 /nfs/dbraw/zinc/21/40/33/1191214033.db2.gz GNRGHVRKJQOHPH-APWZRJJASA-N 2 2 348.491 2.089 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]C[C@H]2CC(C)(C)CO2)CCC1 ZINC001484655220 1191458218 /nfs/dbraw/zinc/45/82/18/1191458218.db2.gz PKRGPTOPXAWCOL-GDBMZVCRSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]C[C@H]2CC(C)(C)CO2)CCC1 ZINC001484655220 1191458219 /nfs/dbraw/zinc/45/82/19/1191458219.db2.gz PKRGPTOPXAWCOL-GDBMZVCRSA-N 2 2 348.491 2.032 10 0 EEAELP CCC1([NH2+]CCCOC(C)C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484817896 1191538665 /nfs/dbraw/zinc/53/86/65/1191538665.db2.gz SOYOOYDYNRJCBN-UHFFFAOYSA-N 2 2 336.480 2.128 10 0 EEAELP CCCCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001484918270 1191575063 /nfs/dbraw/zinc/57/50/63/1191575063.db2.gz IKSBWSGBPUIUTL-HZPDHXFCSA-N 2 2 348.491 2.301 10 0 EEAELP CCCCOCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001484918270 1191575065 /nfs/dbraw/zinc/57/50/65/1191575065.db2.gz IKSBWSGBPUIUTL-HZPDHXFCSA-N 2 2 348.491 2.301 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]C/C(Cl)=C\Cl ZINC001484994803 1191609599 /nfs/dbraw/zinc/60/95/99/1191609599.db2.gz JTBQBJDXZJMZNV-KGKZPBIOSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001485145311 1191664570 /nfs/dbraw/zinc/66/45/70/1191664570.db2.gz CKHSXCNJIAQEAJ-GJZGRUSLSA-N 2 2 336.480 2.230 10 0 EEAELP Cc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485161307 1191674452 /nfs/dbraw/zinc/67/44/52/1191674452.db2.gz BPPFNJUVUYZDGQ-MNOVXSKESA-N 2 2 327.388 2.156 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCC[NH+]2C(C)C)n1 ZINC001485299429 1191725157 /nfs/dbraw/zinc/72/51/57/1191725157.db2.gz KARQPXVOAVSEKA-FUHWJXTLSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CCC[NH+]2C(C)C)n1 ZINC001485299429 1191725158 /nfs/dbraw/zinc/72/51/58/1191725158.db2.gz KARQPXVOAVSEKA-FUHWJXTLSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001485299429 1191725159 /nfs/dbraw/zinc/72/51/59/1191725159.db2.gz KARQPXVOAVSEKA-FUHWJXTLSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001485299429 1191725160 /nfs/dbraw/zinc/72/51/60/1191725160.db2.gz KARQPXVOAVSEKA-FUHWJXTLSA-N 2 2 349.523 2.273 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)co1 ZINC001486183715 1193723237 /nfs/dbraw/zinc/72/32/37/1193723237.db2.gz LGXIJTOYIZRDAN-RHSMWYFYSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)co1 ZINC001486183715 1193723243 /nfs/dbraw/zinc/72/32/43/1193723243.db2.gz LGXIJTOYIZRDAN-RHSMWYFYSA-N 2 2 336.480 2.184 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1ocnc1C ZINC001410370408 1197762065 /nfs/dbraw/zinc/76/20/65/1197762065.db2.gz FBCNYWXMIZGILK-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)on1 ZINC001410387751 1197787603 /nfs/dbraw/zinc/78/76/03/1197787603.db2.gz FXRRJSQNROWKFI-RDJZCZTQSA-N 2 2 347.463 2.403 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCc1cccs1 ZINC001410451929 1197916974 /nfs/dbraw/zinc/91/69/74/1197916974.db2.gz WUJPJVFVTZMQPN-KBPBESRZSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCc1cccs1 ZINC001410451929 1197916981 /nfs/dbraw/zinc/91/69/81/1197916981.db2.gz WUJPJVFVTZMQPN-KBPBESRZSA-N 2 2 334.489 2.329 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000872072555 1198040929 /nfs/dbraw/zinc/04/09/29/1198040929.db2.gz IDBSNYDTXAJXOW-VAMGGRTRSA-N 2 2 332.488 2.200 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000872072555 1198040938 /nfs/dbraw/zinc/04/09/38/1198040938.db2.gz IDBSNYDTXAJXOW-VAMGGRTRSA-N 2 2 332.488 2.200 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147220 1198055767 /nfs/dbraw/zinc/05/57/67/1198055767.db2.gz GESYEQQTOZQVAZ-SNPRPXQTSA-N 2 2 343.393 2.103 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147220 1198055773 /nfs/dbraw/zinc/05/57/73/1198055773.db2.gz GESYEQQTOZQVAZ-SNPRPXQTSA-N 2 2 343.393 2.103 10 0 EEAELP C[C@H](CC(=O)N1CCO[C@H](C[NH2+]CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001273324215 1198175331 /nfs/dbraw/zinc/17/53/31/1198175331.db2.gz XVXUFKZXDPMRQW-SJLPKXTDSA-N 2 2 348.491 2.232 10 0 EEAELP c1nc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cn1C1CC1 ZINC000865405160 1198199294 /nfs/dbraw/zinc/19/92/94/1198199294.db2.gz XXSHTCMIDOYBOS-UHFFFAOYSA-N 2 2 326.444 2.340 10 0 EEAELP O=c1[nH]ccc2oc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)cc21 ZINC000865496403 1198247291 /nfs/dbraw/zinc/24/72/91/1198247291.db2.gz VSAYPVZTTVLFMX-HZPDHXFCSA-N 2 2 331.416 2.001 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001273376848 1198399019 /nfs/dbraw/zinc/39/90/19/1198399019.db2.gz ZRWJTKBYSWUXIG-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001273376848 1198399026 /nfs/dbraw/zinc/39/90/26/1198399026.db2.gz ZRWJTKBYSWUXIG-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411493 1201510574 /nfs/dbraw/zinc/51/05/74/1201510574.db2.gz NOEUBOUMIIQUHK-CVEARBPZSA-N 2 2 333.476 2.147 10 0 EEAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411493 1201510579 /nfs/dbraw/zinc/51/05/79/1201510579.db2.gz NOEUBOUMIIQUHK-CVEARBPZSA-N 2 2 333.476 2.147 10 0 EEAELP c1ccc(-c2nnn(CCCCC[N@@H+]3CCC[C@H]4[NH2+]CC[C@@H]43)n2)cc1 ZINC000866725668 1201590385 /nfs/dbraw/zinc/59/03/85/1201590385.db2.gz SGQCMXCPJYZESN-MSOLQXFVSA-N 2 2 340.475 2.337 10 0 EEAELP c1ccc(-c2nnn(CCCCC[N@H+]3CCC[C@H]4[NH2+]CC[C@@H]43)n2)cc1 ZINC000866725668 1201590389 /nfs/dbraw/zinc/59/03/89/1201590389.db2.gz SGQCMXCPJYZESN-MSOLQXFVSA-N 2 2 340.475 2.337 10 0 EEAELP C[C@@H]1C[C@H](C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001274124019 1204390148 /nfs/dbraw/zinc/39/01/48/1204390148.db2.gz BNLOAYAEKGUUJM-SWVJOTTGSA-N 2 2 342.443 2.254 10 0 EEAELP C[C@H](CC(=O)NC/C=C/C[NH2+]Cc1ccncc1Cl)n1cc[nH+]c1 ZINC001274404947 1205024699 /nfs/dbraw/zinc/02/46/99/1205024699.db2.gz RTWXVFNHWKHVJC-BAABZTOOSA-N 2 2 347.850 2.345 10 0 EEAELP CCOCC[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC001274885769 1205197121 /nfs/dbraw/zinc/19/71/21/1205197121.db2.gz RNOWWEOJIQKTAS-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP CCOC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001412572754 1205773909 /nfs/dbraw/zinc/77/39/09/1205773909.db2.gz RACSSTVDYOUADK-QWHCGFSZSA-N 2 2 328.372 2.104 10 0 EEAELP CC(C)[C@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCO ZINC001276130319 1205792403 /nfs/dbraw/zinc/79/24/03/1205792403.db2.gz VJBGVMQYUZTDQY-HNNXBMFYSA-N 2 2 332.448 2.022 10 0 EEAELP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(OC)n1 ZINC000925020434 1206061627 /nfs/dbraw/zinc/06/16/27/1206061627.db2.gz PWUXRMKTJGDNOI-MRXNPFEDSA-N 2 2 348.491 2.074 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000925544617 1206125789 /nfs/dbraw/zinc/12/57/89/1206125789.db2.gz BVDUXQJQMLHDCJ-IEBWSBKVSA-N 2 2 328.504 2.071 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCCC3)ccc1OCCO ZINC000925613125 1206135997 /nfs/dbraw/zinc/13/59/97/1206135997.db2.gz QAIWHCFVCJRDPZ-KBXCAEBGSA-N 2 2 334.460 2.392 10 0 EEAELP Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1OC(C)C ZINC000926103682 1206192560 /nfs/dbraw/zinc/19/25/60/1206192560.db2.gz METKZJGEAAFTGW-UHFFFAOYSA-N 2 2 334.464 2.327 10 0 EEAELP CN(CCC(=O)N1CCC([N@H+](C)CC(F)F)CC1)c1cc[nH+]cc1 ZINC000779524221 1210405505 /nfs/dbraw/zinc/40/55/05/1210405505.db2.gz AUDOHNJBWMDSBO-UHFFFAOYSA-N 2 2 340.418 2.096 10 0 EEAELP CN(CCC(=O)N1CCC([N@@H+](C)CC(F)F)CC1)c1cc[nH+]cc1 ZINC000779524221 1210405507 /nfs/dbraw/zinc/40/55/07/1210405507.db2.gz AUDOHNJBWMDSBO-UHFFFAOYSA-N 2 2 340.418 2.096 10 0 EEAELP Cc1cn2cc(NC(=O)C3CCC([NH+]4CCOCC4)CC3)ccc2[nH+]1 ZINC000900492325 1234412272 /nfs/dbraw/zinc/41/22/72/1234412272.db2.gz QSQTXSMDALTYCX-UHFFFAOYSA-N 2 2 342.443 2.472 10 0 EEAELP C/C(=C/C(=O)Nc1ccc(C)cc1C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900713583 1234692819 /nfs/dbraw/zinc/69/28/19/1234692819.db2.gz OJFWWMDOAFNZOC-VBKFSLOCSA-N 2 2 331.460 2.274 10 0 EEAELP Brc1cnc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)nc1 ZINC000903319956 1240241204 /nfs/dbraw/zinc/24/12/04/1240241204.db2.gz WMPDVZXXUXZVCB-UHFFFAOYSA-N 2 2 348.248 2.393 10 0 EEAELP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000903457112 1240525682 /nfs/dbraw/zinc/52/56/82/1240525682.db2.gz NWNHQMKIBVOBRM-SCDSUCTJSA-N 2 2 328.865 2.228 10 0 EEAELP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000903457112 1240525687 /nfs/dbraw/zinc/52/56/87/1240525687.db2.gz NWNHQMKIBVOBRM-SCDSUCTJSA-N 2 2 328.865 2.228 10 0 EEAELP CC1(C)C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1[NH3+] ZINC000903552133 1240910804 /nfs/dbraw/zinc/91/08/04/1240910804.db2.gz AMEUSPVGYIQGGL-CYBMUJFWSA-N 2 2 340.265 2.447 10 0 EEAELP CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1[NH3+] ZINC000903552133 1240910815 /nfs/dbraw/zinc/91/08/15/1240910815.db2.gz AMEUSPVGYIQGGL-CYBMUJFWSA-N 2 2 340.265 2.447 10 0 EEAELP c1cc(C[N@H+](Cc2ccccc2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)n[nH]1 ZINC000903737204 1241780652 /nfs/dbraw/zinc/78/06/52/1241780652.db2.gz QOIHBENAYMQAJZ-RBUKOAKNSA-N 2 2 326.444 2.181 10 0 EEAELP c1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)n[nH]1 ZINC000903737204 1241780659 /nfs/dbraw/zinc/78/06/59/1241780659.db2.gz QOIHBENAYMQAJZ-RBUKOAKNSA-N 2 2 326.444 2.181 10 0 EEAELP Cc1nc(C(C)(C)[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)sc1C ZINC000903899525 1242397404 /nfs/dbraw/zinc/39/74/04/1242397404.db2.gz SXJAUXYEABLIRS-ZDUSSCGKSA-N 2 2 334.493 2.301 10 0 EEAELP CC(C)C[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000903988033 1242887072 /nfs/dbraw/zinc/88/70/72/1242887072.db2.gz MTDSEHLPGYXXHA-KRWDZBQOSA-N 2 2 328.464 2.256 10 0 EEAELP CC(C)C[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000903988033 1242887076 /nfs/dbraw/zinc/88/70/76/1242887076.db2.gz MTDSEHLPGYXXHA-KRWDZBQOSA-N 2 2 328.464 2.256 10 0 EEAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC[C@H]1CCCCO1 ZINC001491502755 1259152473 /nfs/dbraw/zinc/15/24/73/1259152473.db2.gz CCCNCBPZHSSDOQ-UKRRQHHQSA-N 2 2 330.432 2.230 10 0 EEAELP CCN(CC[NH2+]CCc1cccs1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001273468333 1278559435 /nfs/dbraw/zinc/55/94/35/1278559435.db2.gz RKTKGJZMVYXMOJ-HNNXBMFYSA-N 2 2 346.500 2.188 10 0 EEAELP CCOCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001488746795 1290197675 /nfs/dbraw/zinc/19/76/75/1290197675.db2.gz OCLFQJGCMBVINQ-OTVXOJSOSA-N 2 2 330.432 2.088 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)nc(Cl)c1 ZINC000855415916 1293209818 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EEAELP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001276791474 1297746109 /nfs/dbraw/zinc/74/61/09/1297746109.db2.gz VLTAJZAVHHLDBJ-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1cc(NC(=O)N2C[C@]34C[N@@H+](C)C[C@@]3(C2)CCCC4)c(C)c[nH+]1 ZINC001123411891 1310553908 /nfs/dbraw/zinc/55/39/08/1310553908.db2.gz SVZWLUDQRATTHY-KDURUIRLSA-N 2 2 328.460 2.460 10 0 EEAELP Cc1cc(NC(=O)N2C[C@]34C[N@H+](C)C[C@@]3(C2)CCCC4)c(C)c[nH+]1 ZINC001123411891 1310553918 /nfs/dbraw/zinc/55/39/18/1310553918.db2.gz SVZWLUDQRATTHY-KDURUIRLSA-N 2 2 328.460 2.460 10 0 EEAELP CCC/C=C/CC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001671145373 1320761187 /nfs/dbraw/zinc/76/11/87/1320761187.db2.gz WPXJESJMBNJWGS-SQRWCISFSA-N 2 2 330.476 2.335 10 0 EEAELP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000843103497 1315843091 /nfs/dbraw/zinc/84/30/91/1315843091.db2.gz LXAXGWLIZOAQNX-CJNGLKHVSA-N 2 2 332.847 2.195 10 0 EEAELP CC(C)OCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001278555504 1317221411 /nfs/dbraw/zinc/22/14/11/1317221411.db2.gz AWMZUKMPWVQDCP-WMZOPIPTSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@@]1(C[NH2+]CCCc2ccsc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001278556911 1317225521 /nfs/dbraw/zinc/22/55/21/1317225521.db2.gz ZDSJQQDQQXNHNP-SFHVURJKSA-N 2 2 346.500 2.475 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001263874235 1322544130 /nfs/dbraw/zinc/54/41/30/1322544130.db2.gz WEFSRJWFNRSNDP-QAQDUYKDSA-N 2 2 326.444 2.069 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001264092964 1322616022 /nfs/dbraw/zinc/61/60/22/1322616022.db2.gz CDIBIGIKMJUWML-ZLKFPQNLSA-N 2 2 344.503 2.489 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001264092964 1322616028 /nfs/dbraw/zinc/61/60/28/1322616028.db2.gz CDIBIGIKMJUWML-ZLKFPQNLSA-N 2 2 344.503 2.489 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001264402168 1322691548 /nfs/dbraw/zinc/69/15/48/1322691548.db2.gz SEGAHLRFPFJYLP-SCTDSRPQSA-N 2 2 349.519 2.080 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001264402168 1322691554 /nfs/dbraw/zinc/69/15/54/1322691554.db2.gz SEGAHLRFPFJYLP-SCTDSRPQSA-N 2 2 349.519 2.080 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCCC[N@H+](C)CC1CC(F)(F)C1 ZINC001265001327 1322847917 /nfs/dbraw/zinc/84/79/17/1322847917.db2.gz SWSYZIJDFNOYBD-UHFFFAOYSA-N 2 2 341.402 2.116 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCCC[N@@H+](C)CC1CC(F)(F)C1 ZINC001265001327 1322847920 /nfs/dbraw/zinc/84/79/20/1322847920.db2.gz SWSYZIJDFNOYBD-UHFFFAOYSA-N 2 2 341.402 2.116 10 0 EEAELP CCOCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001265085470 1322913155 /nfs/dbraw/zinc/91/31/55/1322913155.db2.gz FSMGAEZXBUIVTL-HOTGVXAUSA-N 2 2 344.459 2.344 10 0 EEAELP Cc1conc1C[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001265200549 1322981547 /nfs/dbraw/zinc/98/15/47/1322981547.db2.gz TUGCPGNSZHFCGK-UHFFFAOYSA-N 2 2 336.480 2.138 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001265595200 1323253444 /nfs/dbraw/zinc/25/34/44/1323253444.db2.gz UQOWCXIFUXVGKX-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001265595200 1323253449 /nfs/dbraw/zinc/25/34/49/1323253449.db2.gz UQOWCXIFUXVGKX-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001265954382 1323516913 /nfs/dbraw/zinc/51/69/13/1323516913.db2.gz PKNWLPWIAKHDDS-IBGZPJMESA-N 2 2 340.471 2.478 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001265954382 1323516915 /nfs/dbraw/zinc/51/69/15/1323516915.db2.gz PKNWLPWIAKHDDS-IBGZPJMESA-N 2 2 340.471 2.478 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265954002 1323517081 /nfs/dbraw/zinc/51/70/81/1323517081.db2.gz JBNLCLRQDBKQKH-AWEZNQCLSA-N 2 2 332.423 2.301 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001265954002 1323517083 /nfs/dbraw/zinc/51/70/83/1323517083.db2.gz JBNLCLRQDBKQKH-AWEZNQCLSA-N 2 2 332.423 2.301 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H](C[NH2+]CC[C@@H](C)F)C3)[nH+]c12 ZINC001266023012 1323574271 /nfs/dbraw/zinc/57/42/71/1323574271.db2.gz DBLVZVWHBBGOTA-HZPDHXFCSA-N 2 2 346.450 2.371 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC(OCCC[NH2+]C(C)C)CC1 ZINC001282582207 1325744882 /nfs/dbraw/zinc/74/48/82/1325744882.db2.gz RBHXVEVTNRUUKI-UHFFFAOYSA-N 2 2 349.475 2.028 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001283052353 1325901338 /nfs/dbraw/zinc/90/13/38/1325901338.db2.gz QGPOBYQKCJRAQG-BRWVUGGUSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001283205102 1325954618 /nfs/dbraw/zinc/95/46/18/1325954618.db2.gz WMNNEFKAWBOART-CHWSQXEVSA-N 2 2 346.397 2.272 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CCC[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001283258836 1325975498 /nfs/dbraw/zinc/97/54/98/1325975498.db2.gz BZZQNFCEUDOUJK-AWEZNQCLSA-N 2 2 332.423 2.474 10 0 EEAELP CCCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001283506909 1326104003 /nfs/dbraw/zinc/10/40/03/1326104003.db2.gz JRYVUCDPSKPMJN-SJLPKXTDSA-N 2 2 332.492 2.462 10 0 EEAELP CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001283546106 1326124661 /nfs/dbraw/zinc/12/46/61/1326124661.db2.gz ZDCACEZZRNXDGJ-QGZVFWFLSA-N 2 2 328.460 2.422 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCC1CCC1 ZINC001283631295 1326171439 /nfs/dbraw/zinc/17/14/39/1326171439.db2.gz VFCSQDROSLKFKU-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC001491888517 1330290565 /nfs/dbraw/zinc/29/05/65/1330290565.db2.gz GWJLMJFYUSRDQR-IAGOWNOFSA-N 2 2 348.491 2.176 10 0 EEAELP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)Cc1ccc(C2CC2)cc1 ZINC001492271999 1331130786 /nfs/dbraw/zinc/13/07/86/1331130786.db2.gz GLGOMXRRIAVTSV-UHFFFAOYSA-N 2 2 326.444 2.468 10 0 EEAELP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)Cc1ccc(C2CC2)cc1 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DUGLAJOWUNUASM-INIZCTEOSA-N 2 2 346.500 2.406 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001317187873 1332121877 /nfs/dbraw/zinc/12/18/77/1332121877.db2.gz CCSQYQFWXFDECO-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001317187873 1332121880 /nfs/dbraw/zinc/12/18/80/1332121880.db2.gz CCSQYQFWXFDECO-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCc2ccccc2Cl)C1 ZINC001317305104 1332171938 /nfs/dbraw/zinc/17/19/38/1332171938.db2.gz BFNLWLHNAFUAKD-HNNXBMFYSA-N 2 2 346.862 2.429 10 0 EEAELP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001317602202 1332320340 /nfs/dbraw/zinc/32/03/40/1332320340.db2.gz OKRDHGYAIRKAIL-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CN(CC[NH2+]CCCc1ccsc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317604134 1332321251 /nfs/dbraw/zinc/32/12/51/1332321251.db2.gz BDZNLKYGQQUFCT-INIZCTEOSA-N 2 2 346.500 2.188 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)NC1C[NH+](CCCCCF)C1 ZINC001318028820 1332462698 /nfs/dbraw/zinc/46/26/98/1332462698.db2.gz BCPAXQXKIKMAET-UHFFFAOYSA-N 2 2 327.469 2.364 10 0 EEAELP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CCCOC)C1 ZINC001318473492 1332546739 /nfs/dbraw/zinc/54/67/39/1332546739.db2.gz NXRRVGCZUVCGEG-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CCCOC)C1 ZINC001318473492 1332546741 /nfs/dbraw/zinc/54/67/41/1332546741.db2.gz NXRRVGCZUVCGEG-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001319125078 1332653289 /nfs/dbraw/zinc/65/32/89/1332653289.db2.gz AOGROFDVHBGDFE-LJQANCHMSA-N 2 2 340.471 2.176 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]CCOC3CCC3)ccn12 ZINC001320415916 1332878630 /nfs/dbraw/zinc/87/86/30/1332878630.db2.gz SRFLEYRXJZRPPD-CQSZACIVSA-N 2 2 344.459 2.310 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001321523253 1333118022 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DCZZIUVXFLRWKP-KRWDZBQOSA-N 2 2 330.432 2.040 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001570640730 1343096583 /nfs/dbraw/zinc/09/65/83/1343096583.db2.gz FIJVNNSUMCKUJG-QWHCGFSZSA-N 2 2 326.400 2.381 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001571173462 1343165885 /nfs/dbraw/zinc/16/58/85/1343165885.db2.gz OXEBDDACPXZGIB-IYARVYRRSA-N 2 2 340.471 2.378 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001571362111 1343198583 /nfs/dbraw/zinc/19/85/83/1343198583.db2.gz BVBCPAFRLIIIRI-IRXDYDNUSA-N 2 2 332.492 2.318 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001571458084 1343212276 /nfs/dbraw/zinc/21/22/76/1343212276.db2.gz HMBCFUGVFIMCSI-UKRRQHHQSA-N 2 2 330.432 2.181 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001677586917 1357364132 /nfs/dbraw/zinc/36/41/32/1357364132.db2.gz SKRBUVJVKWSEMU-UHFFFAOYSA-N 2 2 344.484 2.326 10 0 EEAELP 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1090257544 /nfs/dbraw/zinc/25/75/44/1090257544.db2.gz KCBMUGRCUFOOHE-BEFAXECRSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001437710711 1090257548 /nfs/dbraw/zinc/25/75/48/1090257548.db2.gz KCBMUGRCUFOOHE-BEFAXECRSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001437710711 1090257553 /nfs/dbraw/zinc/25/75/53/1090257553.db2.gz KCBMUGRCUFOOHE-BEFAXECRSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001437710711 1090257557 /nfs/dbraw/zinc/25/75/57/1090257557.db2.gz KCBMUGRCUFOOHE-BEFAXECRSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001437716055 1090263664 /nfs/dbraw/zinc/26/36/64/1090263664.db2.gz XANMTAAYSZXBTF-OAHLLOKOSA-N 2 2 330.476 2.361 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001437716055 1090263668 /nfs/dbraw/zinc/26/36/68/1090263668.db2.gz XANMTAAYSZXBTF-OAHLLOKOSA-N 2 2 330.476 2.361 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001437716055 1090263671 /nfs/dbraw/zinc/26/36/71/1090263671.db2.gz XANMTAAYSZXBTF-OAHLLOKOSA-N 2 2 330.476 2.361 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001437716055 1090263675 /nfs/dbraw/zinc/26/36/75/1090263675.db2.gz XANMTAAYSZXBTF-OAHLLOKOSA-N 2 2 330.476 2.361 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CC1CCCC1 ZINC001437755903 1090324231 /nfs/dbraw/zinc/32/42/31/1090324231.db2.gz WPKGOWGJQZHOCO-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CC1CCCC1 ZINC001437755903 1090324237 /nfs/dbraw/zinc/32/42/37/1090324237.db2.gz WPKGOWGJQZHOCO-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CC[C@H](F)C[N@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001437811315 1090404690 /nfs/dbraw/zinc/40/46/90/1090404690.db2.gz NGZSANCGUCBVEJ-HNNXBMFYSA-N 2 2 345.422 2.210 10 0 EEAELP CC[C@H](F)C[N@@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001437811315 1090404693 /nfs/dbraw/zinc/40/46/93/1090404693.db2.gz NGZSANCGUCBVEJ-HNNXBMFYSA-N 2 2 345.422 2.210 10 0 EEAELP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001437974000 1090565272 /nfs/dbraw/zinc/56/52/72/1090565272.db2.gz HZQLAKKTVHZKNY-DLBZAZTESA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001437974000 1090565273 /nfs/dbraw/zinc/56/52/73/1090565273.db2.gz HZQLAKKTVHZKNY-DLBZAZTESA-N 2 2 332.492 2.272 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccsc1 ZINC001438338510 1090814739 /nfs/dbraw/zinc/81/47/39/1090814739.db2.gz XIUSEFRMZQQLMM-GJZGRUSLSA-N 2 2 332.473 2.192 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001445401364 1091149153 /nfs/dbraw/zinc/14/91/53/1091149153.db2.gz VUIZLMDNHKWULX-OLZOCXBDSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001445404178 1091152589 /nfs/dbraw/zinc/15/25/89/1091152589.db2.gz VUCDNCPWDIMRPR-AEFFLSMTSA-N 2 2 343.475 2.468 10 0 EEAELP Cc1nocc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001438665399 1091153959 /nfs/dbraw/zinc/15/39/59/1091153959.db2.gz NGQXUGFACDZQGW-PBHICJAKSA-N 2 2 347.463 2.403 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001438665933 1091154765 /nfs/dbraw/zinc/15/47/65/1091154765.db2.gz FHDLBFSHGIHROD-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001438665931 1091155283 /nfs/dbraw/zinc/15/52/83/1091155283.db2.gz FHDLBFSHGIHROD-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC001438719560 1091245137 /nfs/dbraw/zinc/24/51/37/1091245137.db2.gz ZJRDXHNHYFODPE-CQSZACIVSA-N 2 2 334.851 2.482 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CCc2c[nH+]cn2C)c(C)n1 ZINC001438724891 1091255836 /nfs/dbraw/zinc/25/58/36/1091255836.db2.gz PIYQLMMSSAEIJV-HNNXBMFYSA-N 2 2 343.475 2.001 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001438890612 1091536263 /nfs/dbraw/zinc/53/62/63/1091536263.db2.gz QBFALBMYKYHXCB-AEFFLSMTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001438890612 1091536265 /nfs/dbraw/zinc/53/62/65/1091536265.db2.gz QBFALBMYKYHXCB-AEFFLSMTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001438890612 1091536273 /nfs/dbraw/zinc/53/62/73/1091536273.db2.gz QBFALBMYKYHXCB-AEFFLSMTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001438890612 1091536278 /nfs/dbraw/zinc/53/62/78/1091536278.db2.gz QBFALBMYKYHXCB-AEFFLSMTSA-N 2 2 348.491 2.144 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]C[C@H]3CC(C)(C)CO3)ccn12 ZINC001439216609 1091860501 /nfs/dbraw/zinc/86/05/01/1091860501.db2.gz RZKOVTXBDGIQJO-XJKSGUPXSA-N 2 2 344.459 2.166 10 0 EEAELP Cc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001446025246 1092017079 /nfs/dbraw/zinc/01/70/79/1092017079.db2.gz ZMSNCMKZOGVRKE-YJBOKZPZSA-N 2 2 326.444 2.437 10 0 EEAELP CO[C@@H](C[N@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001439339370 1092038195 /nfs/dbraw/zinc/03/81/95/1092038195.db2.gz JLDUNQQIEADDHP-ACJLOTCBSA-N 2 2 344.459 2.428 10 0 EEAELP CO[C@@H](C[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001439339370 1092038202 /nfs/dbraw/zinc/03/82/02/1092038202.db2.gz JLDUNQQIEADDHP-ACJLOTCBSA-N 2 2 344.459 2.428 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439339052 1092038606 /nfs/dbraw/zinc/03/86/06/1092038606.db2.gz MOZKWYSAGHGYBL-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439339052 1092038614 /nfs/dbraw/zinc/03/86/14/1092038614.db2.gz MOZKWYSAGHGYBL-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cncs1 ZINC001439376644 1092116562 /nfs/dbraw/zinc/11/65/62/1092116562.db2.gz AVHWSPQSXIWVHR-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cncs1 ZINC001439376644 1092116567 /nfs/dbraw/zinc/11/65/67/1092116567.db2.gz AVHWSPQSXIWVHR-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cncs1 ZINC001439376644 1092116571 /nfs/dbraw/zinc/11/65/71/1092116571.db2.gz AVHWSPQSXIWVHR-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cncs1 ZINC001439376644 1092116574 /nfs/dbraw/zinc/11/65/74/1092116574.db2.gz AVHWSPQSXIWVHR-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CCC[N@H+](CCOC)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001439696919 1092648417 /nfs/dbraw/zinc/64/84/17/1092648417.db2.gz UOBMDBHOMIOZQL-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP CCC[N@@H+](CCOC)C1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001439696919 1092648421 /nfs/dbraw/zinc/64/84/21/1092648421.db2.gz UOBMDBHOMIOZQL-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP C[C@@H](CC(=O)N[C@]1(C)CC[N@H+](CCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001439848951 1092861256 /nfs/dbraw/zinc/86/12/56/1092861256.db2.gz JYBIXEVWXGIRLU-QFBILLFUSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](CCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001439848951 1092861264 /nfs/dbraw/zinc/86/12/64/1092861264.db2.gz JYBIXEVWXGIRLU-QFBILLFUSA-N 2 2 348.491 2.232 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)cc1F ZINC001439869624 1092906635 /nfs/dbraw/zinc/90/66/35/1092906635.db2.gz IBASCXVHPISLJO-IBGZPJMESA-N 2 2 349.450 2.011 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)cc1F ZINC001439869624 1092906644 /nfs/dbraw/zinc/90/66/44/1092906644.db2.gz IBASCXVHPISLJO-IBGZPJMESA-N 2 2 349.450 2.011 10 0 EEAELP CC(C)CC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001448462523 1093472297 /nfs/dbraw/zinc/47/22/97/1093472297.db2.gz RRBTYGPWROAOCR-NVXWUHKLSA-N 2 2 344.459 2.200 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001440348570 1093501547 /nfs/dbraw/zinc/50/15/47/1093501547.db2.gz ZLJAVWHASBPWHH-BZUAXINKSA-N 2 2 332.492 2.292 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)CC[C@@H]1c1ccccc1 ZINC001440417796 1093612371 /nfs/dbraw/zinc/61/23/71/1093612371.db2.gz AIAXPAZESZHNSJ-QZTJIDSGSA-N 2 2 335.467 2.272 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CCF)CC[C@@H]1c1ccccc1 ZINC001440417796 1093612376 /nfs/dbraw/zinc/61/23/76/1093612376.db2.gz AIAXPAZESZHNSJ-QZTJIDSGSA-N 2 2 335.467 2.272 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1c1ccccc1 ZINC001440417796 1093612382 /nfs/dbraw/zinc/61/23/82/1093612382.db2.gz AIAXPAZESZHNSJ-QZTJIDSGSA-N 2 2 335.467 2.272 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1c1ccccc1 ZINC001440417796 1093612386 /nfs/dbraw/zinc/61/23/86/1093612386.db2.gz AIAXPAZESZHNSJ-QZTJIDSGSA-N 2 2 335.467 2.272 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001440477104 1093705240 /nfs/dbraw/zinc/70/52/40/1093705240.db2.gz VYJBFHKVZHHXEL-UAJHPOCYSA-N 2 2 348.318 2.426 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001440477104 1093705246 /nfs/dbraw/zinc/70/52/46/1093705246.db2.gz VYJBFHKVZHHXEL-UAJHPOCYSA-N 2 2 348.318 2.426 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001440477104 1093705248 /nfs/dbraw/zinc/70/52/48/1093705248.db2.gz VYJBFHKVZHHXEL-UAJHPOCYSA-N 2 2 348.318 2.426 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[N@H+](C/C(Cl)=C/Cl)CC[C@@H]2C1 ZINC001440477104 1093705253 /nfs/dbraw/zinc/70/52/53/1093705253.db2.gz VYJBFHKVZHHXEL-UAJHPOCYSA-N 2 2 348.318 2.426 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1CCc1ccccc1 ZINC001440489127 1093724005 /nfs/dbraw/zinc/72/40/05/1093724005.db2.gz ITMNLOXTVGKTRP-AEFFLSMTSA-N 2 2 340.471 2.174 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1CCc1ccccc1 ZINC001440489127 1093724009 /nfs/dbraw/zinc/72/40/09/1093724009.db2.gz ITMNLOXTVGKTRP-AEFFLSMTSA-N 2 2 340.471 2.174 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001440510258 1093757400 /nfs/dbraw/zinc/75/74/00/1093757400.db2.gz OFMMGFWDVGKXSA-KURKYZTESA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCC[C@@H]1CCOC1 ZINC001440510258 1093757404 /nfs/dbraw/zinc/75/74/04/1093757404.db2.gz OFMMGFWDVGKXSA-KURKYZTESA-N 2 2 348.491 2.059 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)sn1 ZINC001448731891 1093802004 /nfs/dbraw/zinc/80/20/04/1093802004.db2.gz LVOKXSDNTNGOGU-ZIAGYGMSSA-N 2 2 335.477 2.236 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccccc1N(C)C ZINC001440829638 1094082200 /nfs/dbraw/zinc/08/22/00/1094082200.db2.gz RZFWQSXSWAPANE-HZPDHXFCSA-N 2 2 343.475 2.022 10 0 EEAELP Cc1cc(C)cc(C[NH+]2CC([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001441220382 1094585888 /nfs/dbraw/zinc/58/58/88/1094585888.db2.gz 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ZINC001498314920 1107276991 /nfs/dbraw/zinc/27/69/91/1107276991.db2.gz XZXJRJSHEPJGRO-KBXCAEBGSA-N 2 2 348.491 2.327 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1cc(C)ccc1F ZINC001493058075 1107413980 /nfs/dbraw/zinc/41/39/80/1107413980.db2.gz FEDCZSUXBFRJMS-UHFFFAOYSA-N 2 2 332.423 2.277 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1cc(C)ccc1F ZINC001493058075 1107413983 /nfs/dbraw/zinc/41/39/83/1107413983.db2.gz FEDCZSUXBFRJMS-UHFFFAOYSA-N 2 2 332.423 2.277 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493110343 1107514894 /nfs/dbraw/zinc/51/48/94/1107514894.db2.gz HBBIYWFMUKKTDD-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493110343 1107514904 /nfs/dbraw/zinc/51/49/04/1107514904.db2.gz HBBIYWFMUKKTDD-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]cn1C ZINC001498440575 1107532617 /nfs/dbraw/zinc/53/26/17/1107532617.db2.gz MFPLBDCPKBZCCX-UONOGXRCSA-N 2 2 342.434 2.225 10 0 EEAELP C[C@@H](C[N@@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]cn1C ZINC001498440575 1107532625 /nfs/dbraw/zinc/53/26/25/1107532625.db2.gz MFPLBDCPKBZCCX-UONOGXRCSA-N 2 2 342.434 2.225 10 0 EEAELP C[C@H](C[N@H+](C)[C@H](C)c1cc(F)ccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001498466892 1107586629 /nfs/dbraw/zinc/58/66/29/1107586629.db2.gz XIDSDXSFRIDSKP-CHWSQXEVSA-N 2 2 336.386 2.359 10 0 EEAELP C[C@H](C[N@@H+](C)[C@H](C)c1cc(F)ccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001498466892 1107586639 /nfs/dbraw/zinc/58/66/39/1107586639.db2.gz XIDSDXSFRIDSKP-CHWSQXEVSA-N 2 2 336.386 2.359 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001493158811 1107611058 /nfs/dbraw/zinc/61/10/58/1107611058.db2.gz JJRRNABLKPFZJS-HNNXBMFYSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001493158811 1107611065 /nfs/dbraw/zinc/61/10/65/1107611065.db2.gz JJRRNABLKPFZJS-HNNXBMFYSA-N 2 2 337.414 2.141 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]C[C@H]3CCCOC3)ccn12 ZINC001498552442 1107710150 /nfs/dbraw/zinc/71/01/50/1107710150.db2.gz QWUAEUXZZJFRFN-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](C/C(Cl)=C/Cl)C2)C1 ZINC001493238702 1107745021 /nfs/dbraw/zinc/74/50/21/1107745021.db2.gz DBQAHDTUVAPQRV-PETVBWCUSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](C/C(Cl)=C/Cl)C2)C1 ZINC001493238702 1107745035 /nfs/dbraw/zinc/74/50/35/1107745035.db2.gz DBQAHDTUVAPQRV-PETVBWCUSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001493238702 1107745046 /nfs/dbraw/zinc/74/50/46/1107745046.db2.gz DBQAHDTUVAPQRV-PETVBWCUSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001493238702 1107745059 /nfs/dbraw/zinc/74/50/59/1107745059.db2.gz DBQAHDTUVAPQRV-PETVBWCUSA-N 2 2 334.291 2.085 10 0 EEAELP Cc1oncc1C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001493382585 1108033828 /nfs/dbraw/zinc/03/38/28/1108033828.db2.gz STWFRICUSDABDY-QZTJIDSGSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001493382585 1108033839 /nfs/dbraw/zinc/03/38/39/1108033839.db2.gz STWFRICUSDABDY-QZTJIDSGSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001493382585 1108033852 /nfs/dbraw/zinc/03/38/52/1108033852.db2.gz STWFRICUSDABDY-QZTJIDSGSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001493382585 1108033865 /nfs/dbraw/zinc/03/38/65/1108033865.db2.gz STWFRICUSDABDY-QZTJIDSGSA-N 2 2 346.475 2.081 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493601676 1108385543 /nfs/dbraw/zinc/38/55/43/1108385543.db2.gz XTLVKVYEMQKAMO-KRZKXXONSA-N 2 2 338.455 2.207 10 0 EEAELP O=C(NCC1([NH2+]CC2CCCC2)CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001499324309 1112233335 /nfs/dbraw/zinc/23/33/35/1112233335.db2.gz GVDRVYLMUQAMTB-SFHVURJKSA-N 2 2 349.519 2.058 10 0 EEAELP O=C(NCC1([NH2+]CC2CCCC2)CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001499324309 1112233338 /nfs/dbraw/zinc/23/33/38/1112233338.db2.gz GVDRVYLMUQAMTB-SFHVURJKSA-N 2 2 349.519 2.058 10 0 EEAELP CC(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001501831885 1113488069 /nfs/dbraw/zinc/48/80/69/1113488069.db2.gz RPSIKZJVVGCAKY-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001501831885 1113488071 /nfs/dbraw/zinc/48/80/71/1113488071.db2.gz RPSIKZJVVGCAKY-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP CCc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)o1 ZINC001501992925 1113550420 /nfs/dbraw/zinc/55/04/20/1113550420.db2.gz IZQXPFOJNFGMAD-GJZGRUSLSA-N 2 2 348.491 2.096 10 0 EEAELP CCc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC2)o1 ZINC001501992925 1113550424 /nfs/dbraw/zinc/55/04/24/1113550424.db2.gz IZQXPFOJNFGMAD-GJZGRUSLSA-N 2 2 348.491 2.096 10 0 EEAELP CN(CCC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001502347867 1113639019 /nfs/dbraw/zinc/63/90/19/1113639019.db2.gz DWNWJYPVMOTSIG-KRWDZBQOSA-N 2 2 332.492 2.416 10 0 EEAELP CN(CCC[N@@H+](C)CC1CCCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001502347867 1113639021 /nfs/dbraw/zinc/63/90/21/1113639021.db2.gz DWNWJYPVMOTSIG-KRWDZBQOSA-N 2 2 332.492 2.416 10 0 EEAELP CCC/C=C/CC[NH+]1CC2(C1)CN(C(=O)C[N@@H+](C)C1CCC1)CCO2 ZINC001502415486 1113674553 /nfs/dbraw/zinc/67/45/53/1113674553.db2.gz MHNBTLKSUZSSOZ-AATRIKPKSA-N 2 2 349.519 2.130 10 0 EEAELP C[N@H+](CCOCC1CC1)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001505455849 1113989775 /nfs/dbraw/zinc/98/97/75/1113989775.db2.gz JMFPIEOXSFIPIT-MRXNPFEDSA-N 2 2 348.491 2.037 10 0 EEAELP C[N@@H+](CCOCC1CC1)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001505455849 1113989777 /nfs/dbraw/zinc/98/97/77/1113989777.db2.gz JMFPIEOXSFIPIT-MRXNPFEDSA-N 2 2 348.491 2.037 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1ccncc1Cl)C(=O)Cn1cc[nH+]c1 ZINC001505849841 1114232322 /nfs/dbraw/zinc/23/23/22/1114232322.db2.gz AFTGNXPNLCNZNS-UHFFFAOYSA-N 2 2 349.866 2.206 10 0 EEAELP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1cncs1 ZINC001506014433 1114345388 /nfs/dbraw/zinc/34/53/88/1114345388.db2.gz AOIWYWPKDRGDNM-GJZGRUSLSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1cncs1 ZINC001506014433 1114345392 /nfs/dbraw/zinc/34/53/92/1114345392.db2.gz AOIWYWPKDRGDNM-GJZGRUSLSA-N 2 2 338.521 2.344 10 0 EEAELP CCOCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001506893423 1114955325 /nfs/dbraw/zinc/95/53/25/1114955325.db2.gz MRLDHJZMBDVQOJ-JCNLHEQBSA-N 2 2 342.443 2.007 10 0 EEAELP COCCC[N@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001506958143 1115005288 /nfs/dbraw/zinc/00/52/88/1115005288.db2.gz MTBAHXGWVLVCHL-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP COCCC[N@@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001506958143 1115005290 /nfs/dbraw/zinc/00/52/90/1115005290.db2.gz MTBAHXGWVLVCHL-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cscn1)CC2 ZINC001507353857 1115216588 /nfs/dbraw/zinc/21/65/88/1115216588.db2.gz ZUBGLNZCPKOMBI-WBVHZDCISA-N 2 2 336.505 2.098 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cscn1)CC2 ZINC001507353857 1115216590 /nfs/dbraw/zinc/21/65/90/1115216590.db2.gz ZUBGLNZCPKOMBI-WBVHZDCISA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC001507353857 1115216591 /nfs/dbraw/zinc/21/65/91/1115216591.db2.gz ZUBGLNZCPKOMBI-WBVHZDCISA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC001507353857 1115216592 /nfs/dbraw/zinc/21/65/92/1115216592.db2.gz ZUBGLNZCPKOMBI-WBVHZDCISA-N 2 2 336.505 2.098 10 0 EEAELP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC001507374129 1115233090 /nfs/dbraw/zinc/23/30/90/1115233090.db2.gz ISVGNEFZQVLMNJ-YOEHRIQHSA-N 2 2 348.466 2.174 10 0 EEAELP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1Cc1cncc(F)c1 ZINC001507374129 1115233093 /nfs/dbraw/zinc/23/30/93/1115233093.db2.gz ISVGNEFZQVLMNJ-YOEHRIQHSA-N 2 2 348.466 2.174 10 0 EEAELP Cc1cccnc1C[N@@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001507854473 1115359797 /nfs/dbraw/zinc/35/97/97/1115359797.db2.gz JMGTWJNAZCVTLZ-UHFFFAOYSA-N 2 2 343.475 2.035 10 0 EEAELP Cc1cccnc1C[N@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001507854473 1115359800 /nfs/dbraw/zinc/35/98/00/1115359800.db2.gz JMGTWJNAZCVTLZ-UHFFFAOYSA-N 2 2 343.475 2.035 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1ccns1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001507856133 1115360630 /nfs/dbraw/zinc/36/06/30/1115360630.db2.gz WLSWCLDBTNZOKW-HNNXBMFYSA-N 2 2 338.521 2.154 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1ccns1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001507856133 1115360632 /nfs/dbraw/zinc/36/06/32/1115360632.db2.gz WLSWCLDBTNZOKW-HNNXBMFYSA-N 2 2 338.521 2.154 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1ccns1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507856133 1115360635 /nfs/dbraw/zinc/36/06/35/1115360635.db2.gz WLSWCLDBTNZOKW-HNNXBMFYSA-N 2 2 338.521 2.154 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1ccns1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001507856133 1115360636 /nfs/dbraw/zinc/36/06/36/1115360636.db2.gz WLSWCLDBTNZOKW-HNNXBMFYSA-N 2 2 338.521 2.154 10 0 EEAELP CC[C@H](C(=O)NCC1=CC[N@H+]([C@@H](C)c2ncc(C)o2)CC1)[NH+](C)C ZINC001508208019 1115444884 /nfs/dbraw/zinc/44/48/84/1115444884.db2.gz AFRHASGYIMDGKF-GOEBONIOSA-N 2 2 334.464 2.133 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001508223530 1115451102 /nfs/dbraw/zinc/45/11/02/1115451102.db2.gz UABOEMGWXJQZBF-UHFFFAOYSA-N 2 2 328.460 2.281 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001508223530 1115451104 /nfs/dbraw/zinc/45/11/04/1115451104.db2.gz UABOEMGWXJQZBF-UHFFFAOYSA-N 2 2 328.460 2.281 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001568058342 1124264816 /nfs/dbraw/zinc/26/48/16/1124264816.db2.gz QRMGYRWFNOBJIC-KRWDZBQOSA-N 2 2 344.503 2.390 10 0 EEAELP Cc1conc1C[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001568454182 1124519906 /nfs/dbraw/zinc/51/99/06/1124519906.db2.gz GUAZADWSAQDWBB-INIZCTEOSA-N 2 2 341.415 2.404 10 0 EEAELP Cc1cccn2cc(CC(=O)NC/C=C\C[NH2+]CCC3CC3)[nH+]c12 ZINC001568934089 1124965250 /nfs/dbraw/zinc/96/52/50/1124965250.db2.gz MWUPUWNMOCXQFH-IHWYPQMZSA-N 2 2 326.444 2.247 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CCOCC(C)C)ccn12 ZINC001568991586 1125025254 /nfs/dbraw/zinc/02/52/54/1125025254.db2.gz COWFSTYPZLVUQH-CQSZACIVSA-N 2 2 332.448 2.023 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001569247690 1125193673 /nfs/dbraw/zinc/19/36/73/1125193673.db2.gz YTKNRMHWPNXJCH-AWEZNQCLSA-N 2 2 343.475 2.238 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001569247690 1125193674 /nfs/dbraw/zinc/19/36/74/1125193674.db2.gz YTKNRMHWPNXJCH-AWEZNQCLSA-N 2 2 343.475 2.238 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000088510186 539369545 /nfs/dbraw/zinc/36/95/45/539369545.db2.gz DRKCEDVVCXUXEY-SFHVURJKSA-N 2 2 332.492 2.082 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000088510186 539369549 /nfs/dbraw/zinc/36/95/49/539369549.db2.gz DRKCEDVVCXUXEY-SFHVURJKSA-N 2 2 332.492 2.082 10 0 EEAELP O=C1NC[C@@]2(CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)O1 ZINC000072133926 216023973 /nfs/dbraw/zinc/02/39/73/216023973.db2.gz SFLNGQQPMIIMSX-SFHVURJKSA-N 2 2 326.400 2.337 10 0 EEAELP O=C1NC[C@@]2(CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)O1 ZINC000072133926 216023974 /nfs/dbraw/zinc/02/39/74/216023974.db2.gz SFLNGQQPMIIMSX-SFHVURJKSA-N 2 2 326.400 2.337 10 0 EEAELP COC(=O)[C@@H](C)[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCC1 ZINC000361654221 291233672 /nfs/dbraw/zinc/23/36/72/291233672.db2.gz KGOMTAVCPQDDJB-CQSZACIVSA-N 2 2 328.416 2.492 10 0 EEAELP COC(=O)[C@@H](C)[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCC1 ZINC000361654221 291233673 /nfs/dbraw/zinc/23/36/73/291233673.db2.gz KGOMTAVCPQDDJB-CQSZACIVSA-N 2 2 328.416 2.492 10 0 EEAELP CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422634127 240167544 /nfs/dbraw/zinc/16/75/44/240167544.db2.gz JCYYYGRPHPREAB-UHFFFAOYSA-N 2 2 345.531 2.489 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1c[nH+]ccc1N ZINC000422756935 240209132 /nfs/dbraw/zinc/20/91/32/240209132.db2.gz CQWZFFXBXICCAA-OAHLLOKOSA-N 3 2 326.444 2.177 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1c[nH+]ccc1N ZINC000422756935 240209138 /nfs/dbraw/zinc/20/91/38/240209138.db2.gz CQWZFFXBXICCAA-OAHLLOKOSA-N 2 2 326.444 2.177 10 0 EEAELP CCOCCOc1cc(C)ccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422860679 240263969 /nfs/dbraw/zinc/26/39/69/240263969.db2.gz IPQKNBAGWKCRKE-UXHICEINSA-N 2 2 348.487 2.267 10 0 EEAELP CSc1ccc([C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)N(C)C)cc1 ZINC000423144486 240383902 /nfs/dbraw/zinc/38/39/02/240383902.db2.gz HFJDTGAMFGSZBX-FHWLQOOXSA-N 2 2 349.544 2.368 10 0 EEAELP CN(CC1([NH+](C)C)CCC1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000446142069 242163226 /nfs/dbraw/zinc/16/32/26/242163226.db2.gz UFCXYYFHXZTNSX-UHFFFAOYSA-N 2 2 347.385 2.071 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000111230810 220117614 /nfs/dbraw/zinc/11/76/14/220117614.db2.gz UUBLSTLNMDLGRT-IBGZPJMESA-N 2 2 329.488 2.223 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000111230810 220117616 /nfs/dbraw/zinc/11/76/16/220117616.db2.gz UUBLSTLNMDLGRT-IBGZPJMESA-N 2 2 329.488 2.223 10 0 EEAELP Cc1cc([C@@H]2C[N@H+](CCCN3CC[NH+](C)CC3)CCO2)ccc1F ZINC000097235665 219002436 /nfs/dbraw/zinc/00/24/36/219002436.db2.gz HSPOZTKMHLCSAY-IBGZPJMESA-N 2 2 335.467 2.145 10 0 EEAELP Cc1cc([C@@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)CCO2)ccc1F ZINC000097235665 219002439 /nfs/dbraw/zinc/00/24/39/219002439.db2.gz HSPOZTKMHLCSAY-IBGZPJMESA-N 2 2 335.467 2.145 10 0 EEAELP CCOc1ccccc1OCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000273541046 256305211 /nfs/dbraw/zinc/30/52/11/256305211.db2.gz AOWCQAQCLRTCAO-UHFFFAOYSA-N 2 2 342.443 2.385 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCSCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000132488771 533240333 /nfs/dbraw/zinc/24/03/33/533240333.db2.gz RWDBOBNMMXWABE-HUUCEWRRSA-N 2 2 344.484 2.487 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000109329250 159349011 /nfs/dbraw/zinc/34/90/11/159349011.db2.gz IXPATEZNVDTPGH-SFHVURJKSA-N 2 2 338.455 2.480 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193656142 160185482 /nfs/dbraw/zinc/18/54/82/160185482.db2.gz YXONJUMNYNYGEE-YSGRDPCXSA-N 2 2 341.499 2.236 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193656142 160185484 /nfs/dbraw/zinc/18/54/84/160185484.db2.gz YXONJUMNYNYGEE-YSGRDPCXSA-N 2 2 341.499 2.236 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193656142 160185486 /nfs/dbraw/zinc/18/54/86/160185486.db2.gz YXONJUMNYNYGEE-YSGRDPCXSA-N 2 2 341.499 2.236 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193656142 160185488 /nfs/dbraw/zinc/18/54/88/160185488.db2.gz YXONJUMNYNYGEE-YSGRDPCXSA-N 2 2 341.499 2.236 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248452404 160346879 /nfs/dbraw/zinc/34/68/79/160346879.db2.gz YQQOOHDHXPOWLW-MSOLQXFVSA-N 2 2 339.524 2.066 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248452404 160346881 /nfs/dbraw/zinc/34/68/81/160346881.db2.gz YQQOOHDHXPOWLW-MSOLQXFVSA-N 2 2 339.524 2.066 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CS(C)(=O)=O)c(C)c1 ZINC000341880966 161020994 /nfs/dbraw/zinc/02/09/94/161020994.db2.gz QHBRLVKUTHEUDA-DOTOQJQBSA-N 2 2 335.473 2.264 10 0 EEAELP FC1(F)Oc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2O1 ZINC000352006214 162025415 /nfs/dbraw/zinc/02/54/15/162025415.db2.gz TVFZFCXHWKYIAS-CQSZACIVSA-N 2 2 340.370 2.162 10 0 EEAELP FC1(F)Oc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2O1 ZINC000352006214 162025418 /nfs/dbraw/zinc/02/54/18/162025418.db2.gz TVFZFCXHWKYIAS-CQSZACIVSA-N 2 2 340.370 2.162 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000354881554 163001228 /nfs/dbraw/zinc/00/12/28/163001228.db2.gz KAPTWUPPXKIPHK-HNNXBMFYSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000354881554 163001230 /nfs/dbraw/zinc/00/12/30/163001230.db2.gz KAPTWUPPXKIPHK-HNNXBMFYSA-N 2 2 330.476 2.240 10 0 EEAELP COC(=O)c1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)oc1C ZINC000355657252 163261231 /nfs/dbraw/zinc/26/12/31/163261231.db2.gz WCLBRHCVKKIIGR-UHFFFAOYSA-N 2 2 345.399 2.100 10 0 EEAELP c1ccc(C[N@H+]2CC[C@@H](N3CCCC[C@H]3C[NH+]3CCOCC3)C2)cc1 ZINC000355660286 163262769 /nfs/dbraw/zinc/26/27/69/163262769.db2.gz AUFZMVOROGAIML-LEWJYISDSA-N 2 2 343.515 2.448 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@@H](N3CCCC[C@H]3C[NH+]3CCOCC3)C2)cc1 ZINC000355660286 163262771 /nfs/dbraw/zinc/26/27/71/163262771.db2.gz AUFZMVOROGAIML-LEWJYISDSA-N 2 2 343.515 2.448 10 0 EEAELP c1ccc(C[N@H+]2CC[C@H](N3CCCC[C@@H]3C[NH+]3CCOCC3)C2)cc1 ZINC000355660290 163263102 /nfs/dbraw/zinc/26/31/02/163263102.db2.gz AUFZMVOROGAIML-RTWAWAEBSA-N 2 2 343.515 2.448 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@H](N3CCCC[C@@H]3C[NH+]3CCOCC3)C2)cc1 ZINC000355660290 163263103 /nfs/dbraw/zinc/26/31/03/163263103.db2.gz AUFZMVOROGAIML-RTWAWAEBSA-N 2 2 343.515 2.448 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847026 166010632 /nfs/dbraw/zinc/01/06/32/166010632.db2.gz OGJPMIBYNNNCAY-MJGOQNOKSA-N 2 2 331.460 2.440 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847026 166010633 /nfs/dbraw/zinc/01/06/33/166010633.db2.gz OGJPMIBYNNNCAY-MJGOQNOKSA-N 2 2 331.460 2.440 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367847026 166010635 /nfs/dbraw/zinc/01/06/35/166010635.db2.gz OGJPMIBYNNNCAY-MJGOQNOKSA-N 2 2 331.460 2.440 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367847026 166010636 /nfs/dbraw/zinc/01/06/36/166010636.db2.gz OGJPMIBYNNNCAY-MJGOQNOKSA-N 2 2 331.460 2.440 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000360248721 164266630 /nfs/dbraw/zinc/26/66/30/164266630.db2.gz JIQSLOKWUUJHGS-DZGCQCFKSA-N 2 2 349.866 2.028 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000360248729 164266964 /nfs/dbraw/zinc/26/69/64/164266964.db2.gz JIQSLOKWUUJHGS-HIFRSBDPSA-N 2 2 349.866 2.028 10 0 EEAELP Cc1ccccc1SCC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274593 166227321 /nfs/dbraw/zinc/22/73/21/166227321.db2.gz QMGLXJRGVSUFNP-INIZCTEOSA-N 2 2 347.528 2.372 10 0 EEAELP Cc1ccccc1SCC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274593 166227322 /nfs/dbraw/zinc/22/73/22/166227322.db2.gz QMGLXJRGVSUFNP-INIZCTEOSA-N 2 2 347.528 2.372 10 0 EEAELP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc(C)c1O ZINC000289953887 275165032 /nfs/dbraw/zinc/16/50/32/275165032.db2.gz YUKVBSJTEVXNQT-AYHJJNSGSA-N 2 2 345.487 2.182 10 0 EEAELP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc(C)c1O ZINC000289953887 275165033 /nfs/dbraw/zinc/16/50/33/275165033.db2.gz YUKVBSJTEVXNQT-AYHJJNSGSA-N 2 2 345.487 2.182 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119243718 276117210 /nfs/dbraw/zinc/11/72/10/276117210.db2.gz OUFQBRJNCPIFIZ-CQSZACIVSA-N 2 2 349.479 2.078 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000429027991 277160575 /nfs/dbraw/zinc/16/05/75/277160575.db2.gz FOLFMJDMSBEHFD-UYAOXDASSA-N 2 2 327.472 2.208 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000429027991 277160576 /nfs/dbraw/zinc/16/05/76/277160576.db2.gz FOLFMJDMSBEHFD-UYAOXDASSA-N 2 2 327.472 2.208 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000429027991 277160578 /nfs/dbraw/zinc/16/05/78/277160578.db2.gz FOLFMJDMSBEHFD-UYAOXDASSA-N 2 2 327.472 2.208 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000429027991 277160579 /nfs/dbraw/zinc/16/05/79/277160579.db2.gz FOLFMJDMSBEHFD-UYAOXDASSA-N 2 2 327.472 2.208 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C2CC2)n1 ZINC000296768179 294062441 /nfs/dbraw/zinc/06/24/41/294062441.db2.gz FPSDBPKRRHMXKH-UHFFFAOYSA-N 2 2 345.491 2.449 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C2CC2)n1 ZINC000296768179 294062444 /nfs/dbraw/zinc/06/24/44/294062444.db2.gz FPSDBPKRRHMXKH-UHFFFAOYSA-N 2 2 345.491 2.449 10 0 EEAELP COc1nccnc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296983289 294120391 /nfs/dbraw/zinc/12/03/91/294120391.db2.gz VIUNKZHVJYECSZ-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP COc1nccnc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296983289 294120396 /nfs/dbraw/zinc/12/03/96/294120396.db2.gz VIUNKZHVJYECSZ-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP COc1nccnc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000297009867 294127359 /nfs/dbraw/zinc/12/73/59/294127359.db2.gz WOMHWGXJVKCILQ-UHFFFAOYSA-N 2 2 327.432 2.398 10 0 EEAELP Cn1cc(-c2nc([C@H]3CCCCC[N@@H+]3C[C@H]3CCC[NH2+]C3)no2)cn1 ZINC000261743556 294194820 /nfs/dbraw/zinc/19/48/20/294194820.db2.gz BPBQIJFTXBFZGT-GOEBONIOSA-N 2 2 344.463 2.387 10 0 EEAELP Cn1cc(-c2nc([C@H]3CCCCC[N@H+]3C[C@H]3CCC[NH2+]C3)no2)cn1 ZINC000261743556 294194823 /nfs/dbraw/zinc/19/48/23/294194823.db2.gz BPBQIJFTXBFZGT-GOEBONIOSA-N 2 2 344.463 2.387 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168591972 311392275 /nfs/dbraw/zinc/39/22/75/311392275.db2.gz QFNCAIAWZYKNTE-AWEZNQCLSA-N 2 2 339.430 2.434 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168591972 311392279 /nfs/dbraw/zinc/39/22/79/311392279.db2.gz QFNCAIAWZYKNTE-AWEZNQCLSA-N 2 2 339.430 2.434 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000393320129 312441554 /nfs/dbraw/zinc/44/15/54/312441554.db2.gz GTHJZUMOROCZOA-KGYLQXTDSA-N 2 2 327.270 2.193 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c(C)[nH+]1 ZINC000411281969 312522574 /nfs/dbraw/zinc/52/25/74/312522574.db2.gz IFVVSXBCZXYUDB-UHFFFAOYSA-N 2 2 341.415 2.075 10 0 EEAELP CCc1ccccc1CC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000444646204 315313918 /nfs/dbraw/zinc/31/39/18/315313918.db2.gz BAWFDMSAHPXRBA-UHFFFAOYSA-N 2 2 339.487 2.470 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)CS(C)(=O)=O)CC1 ZINC000449147774 315424164 /nfs/dbraw/zinc/42/41/64/315424164.db2.gz RKKMHSARRLVQSV-JKSUJKDBSA-N 2 2 338.517 2.105 10 0 EEAELP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(F)cc1OC ZINC000527713495 317249447 /nfs/dbraw/zinc/24/94/47/317249447.db2.gz MAQYWIFUEGGSAU-HNNXBMFYSA-N 2 2 340.439 2.169 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccccc1-n1cc[nH+]c1 ZINC000540886348 318080991 /nfs/dbraw/zinc/08/09/91/318080991.db2.gz MBBIYMZVVRYJNJ-UHFFFAOYSA-N 2 2 335.411 2.264 10 0 EEAELP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccn(C)n1 ZINC000542671494 318135988 /nfs/dbraw/zinc/13/59/88/318135988.db2.gz SGSNJNJYMAWDMR-SFHVURJKSA-N 2 2 328.460 2.493 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000548096881 318354400 /nfs/dbraw/zinc/35/44/00/318354400.db2.gz RTQONTNOQVPDHG-IRXDYDNUSA-N 2 2 345.487 2.212 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3[C@@H](C)C[C@@H]3C)CC2)cc1 ZINC000548096881 318354403 /nfs/dbraw/zinc/35/44/03/318354403.db2.gz RTQONTNOQVPDHG-IRXDYDNUSA-N 2 2 345.487 2.212 10 0 EEAELP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000565189336 319159099 /nfs/dbraw/zinc/15/90/99/319159099.db2.gz PIVUHOGIZYICQS-GOSISDBHSA-N 2 2 345.487 2.290 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000577358965 320250869 /nfs/dbraw/zinc/25/08/69/320250869.db2.gz QSWGSUDCKMPDOQ-QGZVFWFLSA-N 2 2 347.507 2.260 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000580152863 324001081 /nfs/dbraw/zinc/00/10/81/324001081.db2.gz YVQSLCFABCDKHY-WBVHZDCISA-N 2 2 326.444 2.304 10 0 EEAELP CCCC[C@H](C[NH3+])NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000627080324 451114025 /nfs/dbraw/zinc/11/40/25/451114025.db2.gz PJQVIDSYRSJCID-CQSZACIVSA-N 2 2 336.484 2.137 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000354581652 465035578 /nfs/dbraw/zinc/03/55/78/465035578.db2.gz FMJVXCVYPHDQQL-KFWWJZLASA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000354581652 465035582 /nfs/dbraw/zinc/03/55/82/465035582.db2.gz FMJVXCVYPHDQQL-KFWWJZLASA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000354581652 465035586 /nfs/dbraw/zinc/03/55/86/465035586.db2.gz FMJVXCVYPHDQQL-KFWWJZLASA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000354581652 465035591 /nfs/dbraw/zinc/03/55/91/465035591.db2.gz FMJVXCVYPHDQQL-KFWWJZLASA-N 2 2 330.476 2.381 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H](c2[nH+]ccn2C)C(F)(F)F)CC[N@H+]1C ZINC000579128081 468315776 /nfs/dbraw/zinc/31/57/76/468315776.db2.gz JDWNDOSQWJJLGG-FRRDWIJNSA-N 2 2 346.397 2.397 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000066393920 462885251 /nfs/dbraw/zinc/88/52/51/462885251.db2.gz ZMTJXSDWQRIHIR-MOPGFXCFSA-N 2 2 329.488 2.275 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000066393920 462885258 /nfs/dbraw/zinc/88/52/58/462885258.db2.gz ZMTJXSDWQRIHIR-MOPGFXCFSA-N 2 2 329.488 2.275 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)NCCCCn1cc[nH+]c1 ZINC000066484860 462896181 /nfs/dbraw/zinc/89/61/81/462896181.db2.gz QPWRKDFULUGKTF-UHFFFAOYSA-N 2 2 330.432 2.034 10 0 EEAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000579220516 468326466 /nfs/dbraw/zinc/32/64/66/468326466.db2.gz DUFRLQQEZFWMKP-QILLFSRXSA-N 2 2 344.480 2.106 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000052520682 463086018 /nfs/dbraw/zinc/08/60/18/463086018.db2.gz WQONTKGNHVBSLI-HOTGVXAUSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000052520682 463086024 /nfs/dbraw/zinc/08/60/24/463086024.db2.gz WQONTKGNHVBSLI-HOTGVXAUSA-N 2 2 345.422 2.042 10 0 EEAELP Cc1ccc(N2CCC(NC(=O)Cc3cn4ccccc4[nH+]3)CC2)[nH+]c1 ZINC000157796536 463171117 /nfs/dbraw/zinc/17/11/17/463171117.db2.gz DTMSJRULVIBNGF-UHFFFAOYSA-N 2 2 349.438 2.365 10 0 EEAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136835115 463260754 /nfs/dbraw/zinc/26/07/54/463260754.db2.gz ADJJUYDDHLLGLF-IRXDYDNUSA-N 2 2 347.507 2.259 10 0 EEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccccc3F)CC2)C1 ZINC000137593670 463296970 /nfs/dbraw/zinc/29/69/70/463296970.db2.gz BKHORXUIPAFSJM-IBGZPJMESA-N 2 2 349.494 2.095 10 0 EEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccccc3F)CC2)C1 ZINC000137593670 463296977 /nfs/dbraw/zinc/29/69/77/463296977.db2.gz BKHORXUIPAFSJM-IBGZPJMESA-N 2 2 349.494 2.095 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000124377138 463416278 /nfs/dbraw/zinc/41/62/78/463416278.db2.gz UUKIACLKNFHQRN-DLBZAZTESA-N 2 2 345.491 2.080 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000124377138 463416284 /nfs/dbraw/zinc/41/62/84/463416284.db2.gz UUKIACLKNFHQRN-DLBZAZTESA-N 2 2 345.491 2.080 10 0 EEAELP C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875636 463485051 /nfs/dbraw/zinc/48/50/51/463485051.db2.gz MGDOQLDSVIBVDB-RDJZCZTQSA-N 2 2 332.492 2.370 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000298535115 465424508 /nfs/dbraw/zinc/42/45/08/465424508.db2.gz VKSGPMLRFOETHZ-INIZCTEOSA-N 2 2 341.459 2.319 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000298535115 465424515 /nfs/dbraw/zinc/42/45/15/465424515.db2.gz VKSGPMLRFOETHZ-INIZCTEOSA-N 2 2 341.459 2.319 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)Nc1ccc(Cl)cn1 ZINC000084069714 463576044 /nfs/dbraw/zinc/57/60/44/463576044.db2.gz ZRRNPSJIDDOZPU-VXGBXAGGSA-N 2 2 333.823 2.426 10 0 EEAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCO[C@@H](C[NH+](C)C)C1 ZINC000108951863 463630016 /nfs/dbraw/zinc/63/00/16/463630016.db2.gz AVOBMXYMGXGVEV-AWEZNQCLSA-N 2 2 343.427 2.178 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000043860336 463659991 /nfs/dbraw/zinc/65/99/91/463659991.db2.gz JLQRZBKDXVLILK-OAHLLOKOSA-N 2 2 333.480 2.211 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000043860336 463659994 /nfs/dbraw/zinc/65/99/94/463659994.db2.gz JLQRZBKDXVLILK-OAHLLOKOSA-N 2 2 333.480 2.211 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268478976 463760156 /nfs/dbraw/zinc/76/01/56/463760156.db2.gz ILJUONAYYHVWGC-SJLPKXTDSA-N 2 2 341.459 2.188 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268478976 463760163 /nfs/dbraw/zinc/76/01/63/463760163.db2.gz ILJUONAYYHVWGC-SJLPKXTDSA-N 2 2 341.459 2.188 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262093862 463944508 /nfs/dbraw/zinc/94/45/08/463944508.db2.gz UZNWTPDAZMCHSN-LPHOPBHVSA-N 2 2 331.460 2.406 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262093862 463944515 /nfs/dbraw/zinc/94/45/15/463944515.db2.gz UZNWTPDAZMCHSN-LPHOPBHVSA-N 2 2 331.460 2.406 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)[nH+]1 ZINC000195516245 464064863 /nfs/dbraw/zinc/06/48/63/464064863.db2.gz ATYJNYRDDOBUAR-OAHLLOKOSA-N 2 2 342.487 2.429 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)[nH+]1 ZINC000195516245 464064866 /nfs/dbraw/zinc/06/48/66/464064866.db2.gz ATYJNYRDDOBUAR-OAHLLOKOSA-N 2 2 342.487 2.429 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000221143170 464120053 /nfs/dbraw/zinc/12/00/53/464120053.db2.gz FCMFFLOYZVRTFY-LBPRGKRZSA-N 2 2 341.249 2.404 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000221143170 464120057 /nfs/dbraw/zinc/12/00/57/464120057.db2.gz FCMFFLOYZVRTFY-LBPRGKRZSA-N 2 2 341.249 2.404 10 0 EEAELP O[C@@H](C[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1)c1ccccc1 ZINC000180083933 464238983 /nfs/dbraw/zinc/23/89/83/464238983.db2.gz IMVDZBOUILJISW-IBGZPJMESA-N 2 2 336.439 2.186 10 0 EEAELP C[NH+]1CCC(CNC(=O)NC(C2CC2)C2CC2)([NH+]2CCCCC2)CC1 ZINC000173656658 464303718 /nfs/dbraw/zinc/30/37/18/464303718.db2.gz USZIKJBFEBGRME-UHFFFAOYSA-N 2 2 348.535 2.425 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)OCc3ccccc3)CC2)CCO1 ZINC000181437386 464489299 /nfs/dbraw/zinc/48/92/99/464489299.db2.gz XAGVWOINHNXNMM-KRWDZBQOSA-N 2 2 346.471 2.305 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)OCc3ccccc3)CC2)CCO1 ZINC000181437386 464489304 /nfs/dbraw/zinc/48/93/04/464489304.db2.gz XAGVWOINHNXNMM-KRWDZBQOSA-N 2 2 346.471 2.305 10 0 EEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1(C)C ZINC000245963278 464531309 /nfs/dbraw/zinc/53/13/09/464531309.db2.gz YPXOWJQKBYXCJE-RBSFLKMASA-N 2 2 333.480 2.280 10 0 EEAELP CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265445027 464561906 /nfs/dbraw/zinc/56/19/06/464561906.db2.gz ANMIECJGJSQIDV-UHFFFAOYSA-N 2 2 326.400 2.430 10 0 EEAELP CC[NH+](CC)CCOC(=O)c1cccc(NC(=O)Cn2cc[nH+]c2)c1 ZINC000285672546 464652601 /nfs/dbraw/zinc/65/26/01/464652601.db2.gz ISCVVWYAIKRLRQ-UHFFFAOYSA-N 2 2 344.415 2.020 10 0 EEAELP CC(C)n1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000182609050 464692483 /nfs/dbraw/zinc/69/24/83/464692483.db2.gz JCHGGKDEGSMCLC-DFNIBXOVSA-N 2 2 331.508 2.207 10 0 EEAELP CC(C)n1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000182609050 464692487 /nfs/dbraw/zinc/69/24/87/464692487.db2.gz JCHGGKDEGSMCLC-DFNIBXOVSA-N 2 2 331.508 2.207 10 0 EEAELP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000275584179 464780342 /nfs/dbraw/zinc/78/03/42/464780342.db2.gz PFNCUHOFTWLZOI-WMZOPIPTSA-N 2 2 341.459 2.294 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000183075051 464790468 /nfs/dbraw/zinc/79/04/68/464790468.db2.gz JOXQRCXKWOPETE-HOTGVXAUSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000183075051 464790473 /nfs/dbraw/zinc/79/04/73/464790473.db2.gz JOXQRCXKWOPETE-HOTGVXAUSA-N 2 2 333.480 2.165 10 0 EEAELP [NH3+]CCC1CC[NH+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1 ZINC000579848294 468424912 /nfs/dbraw/zinc/42/49/12/468424912.db2.gz VOAOIHWTDGKMBC-UHFFFAOYSA-N 2 2 332.473 2.446 10 0 EEAELP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000286735433 465017826 /nfs/dbraw/zinc/01/78/26/465017826.db2.gz BWGMRKRRKRZBHD-AVGNSLFASA-N 2 2 332.370 2.051 10 0 EEAELP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000286735433 465017830 /nfs/dbraw/zinc/01/78/30/465017830.db2.gz BWGMRKRRKRZBHD-AVGNSLFASA-N 2 2 332.370 2.051 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000298163377 465319247 /nfs/dbraw/zinc/31/92/47/465319247.db2.gz QAJCIKSCCRRXTP-UHFFFAOYSA-N 2 2 347.438 2.316 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(Cn3cc[nH+]c3)cc1)C2 ZINC000351727259 465321299 /nfs/dbraw/zinc/32/12/99/465321299.db2.gz KVYOOSOFJBEIHI-SFHVURJKSA-N 2 2 349.438 2.315 10 0 EEAELP C[C@H]1CC[C@]2(CC[N@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)C1 ZINC000359561149 465455377 /nfs/dbraw/zinc/45/53/77/465455377.db2.gz QSNFTRFDBWQOSI-PXNSSMCTSA-N 2 2 345.487 2.436 10 0 EEAELP C[C@H]1CC[C@]2(CC[N@@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)C1 ZINC000359561149 465455380 /nfs/dbraw/zinc/45/53/80/465455380.db2.gz QSNFTRFDBWQOSI-PXNSSMCTSA-N 2 2 345.487 2.436 10 0 EEAELP CC[C@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000362406741 465712608 /nfs/dbraw/zinc/71/26/08/465712608.db2.gz UYDDFXYUZVGAQA-DLBZAZTESA-N 2 2 337.508 2.011 10 0 EEAELP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000366431541 465723175 /nfs/dbraw/zinc/72/31/75/465723175.db2.gz KWCSKHIHCWHVQS-JEYLPNPQSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)CS(C)(=O)=O ZINC000361055921 465733009 /nfs/dbraw/zinc/73/30/09/465733009.db2.gz GCBBWGRAWXCXJB-HNNXBMFYSA-N 2 2 327.494 2.056 10 0 EEAELP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330988997 465886371 /nfs/dbraw/zinc/88/63/71/465886371.db2.gz XVDYUMHGZTXGJG-VXGBXAGGSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330988997 465886376 /nfs/dbraw/zinc/88/63/76/465886376.db2.gz XVDYUMHGZTXGJG-VXGBXAGGSA-N 2 2 349.385 2.370 10 0 EEAELP CN(C)c1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000362633909 465898784 /nfs/dbraw/zinc/89/87/84/465898784.db2.gz BXIJHPOPOZZHAX-HOCLYGCPSA-N 2 2 333.386 2.678 10 0 EEAELP CN(C)c1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000362633909 465898793 /nfs/dbraw/zinc/89/87/93/465898793.db2.gz BXIJHPOPOZZHAX-HOCLYGCPSA-N 2 2 333.386 2.678 10 0 EEAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000366859820 465978877 /nfs/dbraw/zinc/97/88/77/465978877.db2.gz WFTDOIFMQDGPLT-KRWDZBQOSA-N 2 2 340.471 2.476 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000366859820 465978884 /nfs/dbraw/zinc/97/88/84/465978884.db2.gz WFTDOIFMQDGPLT-KRWDZBQOSA-N 2 2 340.471 2.476 10 0 EEAELP Brc1cccc2c(NC[C@H]3C[NH+]4CCN3CC4)cc[nH+]c12 ZINC000301754392 466025449 /nfs/dbraw/zinc/02/54/49/466025449.db2.gz CMVHTCFUSITSEP-LBPRGKRZSA-N 2 2 347.260 2.409 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000372168609 466200556 /nfs/dbraw/zinc/20/05/56/466200556.db2.gz HEFIUPCQPCCJSF-KRWDZBQOSA-N 2 2 343.427 2.232 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000357815634 466235320 /nfs/dbraw/zinc/23/53/20/466235320.db2.gz LJMPTWLJOFIDHH-MRXNPFEDSA-N 2 2 343.475 2.459 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000357815634 466235329 /nfs/dbraw/zinc/23/53/29/466235329.db2.gz LJMPTWLJOFIDHH-MRXNPFEDSA-N 2 2 343.475 2.459 10 0 EEAELP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1[nH+]cc(C)c(OC)c1C ZINC000372279732 466271468 /nfs/dbraw/zinc/27/14/68/466271468.db2.gz ASXSYPJLFFAQJV-CABCVRRESA-N 2 2 336.432 2.250 10 0 EEAELP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1[nH+]cc(C)c(OC)c1C ZINC000372279732 466271474 /nfs/dbraw/zinc/27/14/74/466271474.db2.gz ASXSYPJLFFAQJV-CABCVRRESA-N 2 2 336.432 2.250 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C)CC1 ZINC000349873460 466286453 /nfs/dbraw/zinc/28/64/53/466286453.db2.gz CMRCVGUQAKJMDN-IAGOWNOFSA-N 2 2 347.528 2.329 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H]2C)CC1 ZINC000349873460 466286457 /nfs/dbraw/zinc/28/64/57/466286457.db2.gz CMRCVGUQAKJMDN-IAGOWNOFSA-N 2 2 347.528 2.329 10 0 EEAELP C[C@H](CCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353980170 466297922 /nfs/dbraw/zinc/29/79/22/466297922.db2.gz ACIKKBCJEVZODF-RLAWYHOSSA-N 2 2 335.414 2.391 10 0 EEAELP C[C@H](CCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353980170 466297929 /nfs/dbraw/zinc/29/79/29/466297929.db2.gz ACIKKBCJEVZODF-RLAWYHOSSA-N 2 2 335.414 2.391 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000354211601 466380370 /nfs/dbraw/zinc/38/03/70/466380370.db2.gz XAPBFVULLRSBLX-RDJZCZTQSA-N 2 2 333.476 2.116 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000354211601 466380376 /nfs/dbraw/zinc/38/03/76/466380376.db2.gz XAPBFVULLRSBLX-RDJZCZTQSA-N 2 2 333.476 2.116 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000354211601 466380382 /nfs/dbraw/zinc/38/03/82/466380382.db2.gz XAPBFVULLRSBLX-RDJZCZTQSA-N 2 2 333.476 2.116 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000354211601 466380393 /nfs/dbraw/zinc/38/03/93/466380393.db2.gz XAPBFVULLRSBLX-RDJZCZTQSA-N 2 2 333.476 2.116 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)C2 ZINC000372455609 466394823 /nfs/dbraw/zinc/39/48/23/466394823.db2.gz PMWZJEXRNISRRD-YOEHRIQHSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@H+](C)C[C@H]1C(C)C)C2 ZINC000372455609 466394828 /nfs/dbraw/zinc/39/48/28/466394828.db2.gz PMWZJEXRNISRRD-YOEHRIQHSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)CC2 ZINC000372455609 466394834 /nfs/dbraw/zinc/39/48/34/466394834.db2.gz PMWZJEXRNISRRD-YOEHRIQHSA-N 2 2 332.492 2.437 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000310280846 466510431 /nfs/dbraw/zinc/51/04/31/466510431.db2.gz WJUGWMFBGUAXAD-FCGDIQPGSA-N 2 2 348.512 2.064 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000310280846 466510440 /nfs/dbraw/zinc/51/04/40/466510440.db2.gz WJUGWMFBGUAXAD-FCGDIQPGSA-N 2 2 348.512 2.064 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2ccc(I)cc2)c1 ZINC000313263661 466539691 /nfs/dbraw/zinc/53/96/91/466539691.db2.gz DKOYBTATQQLSMC-UHFFFAOYSA-N 2 2 341.196 2.357 10 0 EEAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000358240764 466564827 /nfs/dbraw/zinc/56/48/27/466564827.db2.gz ROHDXZMMEKZATC-HNNXBMFYSA-N 2 2 337.489 2.361 10 0 EEAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000358240764 466564833 /nfs/dbraw/zinc/56/48/33/466564833.db2.gz ROHDXZMMEKZATC-HNNXBMFYSA-N 2 2 337.489 2.361 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)CC2 ZINC000374705243 466720032 /nfs/dbraw/zinc/72/00/32/466720032.db2.gz ZRPJSKSDQDZAPG-UHFFFAOYSA-N 2 2 345.422 2.118 10 0 EEAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000423508881 466761086 /nfs/dbraw/zinc/76/10/86/466761086.db2.gz RAHUFMKTORESMR-UGSOOPFHSA-N 2 2 347.484 2.247 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000373318261 466764450 /nfs/dbraw/zinc/76/44/50/466764450.db2.gz MKNGEUHBVSWALE-MRXNPFEDSA-N 2 2 327.432 2.020 10 0 EEAELP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1C ZINC000412214864 467039848 /nfs/dbraw/zinc/03/98/48/467039848.db2.gz KZBFLLLDKZEQFK-JWTNVVGKSA-N 2 2 342.487 2.081 10 0 EEAELP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1C ZINC000412214864 467039853 /nfs/dbraw/zinc/03/98/53/467039853.db2.gz KZBFLLLDKZEQFK-JWTNVVGKSA-N 2 2 342.487 2.081 10 0 EEAELP CC1CCC([NH+]2CCN(C(=O)N[C@@H]3CCc4[nH+]c[nH]c4C3)CC2)CC1 ZINC000378120256 467203832 /nfs/dbraw/zinc/20/38/32/467203832.db2.gz RJCRIQXLQCPFMB-HWOWSKLDSA-N 2 2 345.491 2.173 10 0 EEAELP CC1CCC([NH+]2CCN(C(=O)N[C@@H]3CCc4[nH]c[nH+]c4C3)CC2)CC1 ZINC000378120256 467203837 /nfs/dbraw/zinc/20/38/37/467203837.db2.gz RJCRIQXLQCPFMB-HWOWSKLDSA-N 2 2 345.491 2.173 10 0 EEAELP CCc1oc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000378162360 467216368 /nfs/dbraw/zinc/21/63/68/467216368.db2.gz VXUSBZWHOFDSFU-MRXNPFEDSA-N 2 2 333.476 2.391 10 0 EEAELP CCc1oc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000378162360 467216372 /nfs/dbraw/zinc/21/63/72/467216372.db2.gz VXUSBZWHOFDSFU-MRXNPFEDSA-N 2 2 333.476 2.391 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428541748 467244726 /nfs/dbraw/zinc/24/47/26/467244726.db2.gz CMHVLHNDYSWBAF-IVMMDQJWSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428541748 467244723 /nfs/dbraw/zinc/24/47/23/467244723.db2.gz CMHVLHNDYSWBAF-IVMMDQJWSA-N 2 2 341.293 2.140 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC34CCCC4)CC2)CC1 ZINC000428559047 467246466 /nfs/dbraw/zinc/24/64/66/467246466.db2.gz NABGFBSMIUQXFF-KRWDZBQOSA-N 2 2 334.508 2.177 10 0 EEAELP COc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000378317313 467262207 /nfs/dbraw/zinc/26/22/07/467262207.db2.gz UVPIGUDHIIGTDF-OAHLLOKOSA-N 2 2 349.450 2.075 10 0 EEAELP COc1cccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000378317313 467262210 /nfs/dbraw/zinc/26/22/10/467262210.db2.gz UVPIGUDHIIGTDF-OAHLLOKOSA-N 2 2 349.450 2.075 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000381691925 467375141 /nfs/dbraw/zinc/37/51/41/467375141.db2.gz SJYGLXUMXIKRJQ-RTBURBONSA-N 2 2 329.488 2.499 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000381691925 467375145 /nfs/dbraw/zinc/37/51/45/467375145.db2.gz SJYGLXUMXIKRJQ-RTBURBONSA-N 2 2 329.488 2.499 10 0 EEAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCCO2 ZINC000453268599 467474353 /nfs/dbraw/zinc/47/43/53/467474353.db2.gz QHWPMNASUIXPCW-SJORKVTESA-N 2 2 334.460 2.345 10 0 EEAELP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCCO2 ZINC000453268599 467474358 /nfs/dbraw/zinc/47/43/58/467474358.db2.gz QHWPMNASUIXPCW-SJORKVTESA-N 2 2 334.460 2.345 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000454335236 467585802 /nfs/dbraw/zinc/58/58/02/467585802.db2.gz YZKMKQBPKUDNAP-UHFFFAOYSA-N 2 2 338.415 2.147 10 0 EEAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000449357253 467633063 /nfs/dbraw/zinc/63/30/63/467633063.db2.gz KQOZMOFABXEUNP-MRXNPFEDSA-N 2 2 330.453 2.483 10 0 EEAELP CCc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@@H+]3CCO)CC2)n1 ZINC000449391092 467636550 /nfs/dbraw/zinc/63/65/50/467636550.db2.gz HRPASYORXNUFNT-GPANFISMSA-N 2 2 336.480 2.095 10 0 EEAELP CCc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@H+]3CCO)CC2)n1 ZINC000449391092 467636552 /nfs/dbraw/zinc/63/65/52/467636552.db2.gz HRPASYORXNUFNT-GPANFISMSA-N 2 2 336.480 2.095 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000449399181 467640093 /nfs/dbraw/zinc/64/00/93/467640093.db2.gz YFNUPTXUCHZOJA-CQSZACIVSA-N 2 2 332.366 2.347 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000449399181 467640096 /nfs/dbraw/zinc/64/00/96/467640096.db2.gz YFNUPTXUCHZOJA-CQSZACIVSA-N 2 2 332.366 2.347 10 0 EEAELP O[C@@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)CC1(O)CCC1 ZINC000528526517 467695309 /nfs/dbraw/zinc/69/53/09/467695309.db2.gz JMISLQZZEYRALI-MRXNPFEDSA-N 2 2 343.471 2.483 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528560244 467703680 /nfs/dbraw/zinc/70/36/80/467703680.db2.gz IDHZKZTXTWTWGB-MRXNPFEDSA-N 2 2 339.524 2.065 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(C)(C)OC1(C)C ZINC000528560244 467703681 /nfs/dbraw/zinc/70/36/81/467703681.db2.gz IDHZKZTXTWTWGB-MRXNPFEDSA-N 2 2 339.524 2.065 10 0 EEAELP COc1ccc(OCC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000528731159 467742279 /nfs/dbraw/zinc/74/22/79/467742279.db2.gz QRBJPEFBNQBQJM-UHFFFAOYSA-N 2 2 334.460 2.261 10 0 EEAELP Cc1sccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450245335 467808029 /nfs/dbraw/zinc/80/80/29/467808029.db2.gz OWZJOPTXWRFRHL-XYPWUTKMSA-N 2 2 333.501 2.440 10 0 EEAELP Cc1sccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450245335 467808036 /nfs/dbraw/zinc/80/80/36/467808036.db2.gz OWZJOPTXWRFRHL-XYPWUTKMSA-N 2 2 333.501 2.440 10 0 EEAELP C[N@H+](CCN1CCCC[C@@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000450461466 467854350 /nfs/dbraw/zinc/85/43/50/467854350.db2.gz VRTYWKSXLMVENS-HXUWFJFHSA-N 2 2 331.504 2.305 10 0 EEAELP C[N@@H+](CCN1CCCC[C@@H]1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000450461466 467854353 /nfs/dbraw/zinc/85/43/53/467854353.db2.gz VRTYWKSXLMVENS-HXUWFJFHSA-N 2 2 331.504 2.305 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458807176 467903047 /nfs/dbraw/zinc/90/30/47/467903047.db2.gz GUABDAHIHGCDLT-UHFFFAOYSA-N 2 2 332.448 2.108 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515649523 468000409 /nfs/dbraw/zinc/00/04/09/468000409.db2.gz CBCACLZGNGBVHG-UZLBHIALSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515649523 468000411 /nfs/dbraw/zinc/00/04/11/468000411.db2.gz CBCACLZGNGBVHG-UZLBHIALSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000531550166 468059609 /nfs/dbraw/zinc/05/96/09/468059609.db2.gz QFFIOLSFYUYWEZ-ABAIWWIYSA-N 2 2 347.850 2.270 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000531550166 468059612 /nfs/dbraw/zinc/05/96/12/468059612.db2.gz QFFIOLSFYUYWEZ-ABAIWWIYSA-N 2 2 347.850 2.270 10 0 EEAELP C[C@H]1C[C@@H](CCNC(=O)Cn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000548895777 468154530 /nfs/dbraw/zinc/15/45/30/468154530.db2.gz JMAFOHZOAHIBQD-FUHWJXTLSA-N 2 2 326.444 2.300 10 0 EEAELP C[C@H]1C[C@@H](CCNC(=O)Cn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000548895777 468154535 /nfs/dbraw/zinc/15/45/35/468154535.db2.gz JMAFOHZOAHIBQD-FUHWJXTLSA-N 2 2 326.444 2.300 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)C[N@@H+]3CC[C@H](C)C3)ccc2n1[C@@H](C)CO ZINC000519638447 468186939 /nfs/dbraw/zinc/18/69/39/468186939.db2.gz BMYSJASNMVZXHM-STQMWFEESA-N 2 2 330.432 2.178 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)C[N@H+]3CC[C@H](C)C3)ccc2n1[C@@H](C)CO ZINC000519638447 468186945 /nfs/dbraw/zinc/18/69/45/468186945.db2.gz BMYSJASNMVZXHM-STQMWFEESA-N 2 2 330.432 2.178 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000550491372 468217382 /nfs/dbraw/zinc/21/73/82/468217382.db2.gz MSXVKAGXJXANGD-CABCVRRESA-N 2 2 342.443 2.498 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](CO)CC1 ZINC000550491372 468217387 /nfs/dbraw/zinc/21/73/87/468217387.db2.gz MSXVKAGXJXANGD-CABCVRRESA-N 2 2 342.443 2.498 10 0 EEAELP C[C@@H](C(=O)NCc1cn2c([nH+]1)CCCC2)[N@@H+]1CCc2ccccc2C1 ZINC000600987605 468708516 /nfs/dbraw/zinc/70/85/16/468708516.db2.gz DQQRLWFORSBVCL-HNNXBMFYSA-N 2 2 338.455 2.282 10 0 EEAELP C[C@@H](C(=O)NCc1cn2c([nH+]1)CCCC2)[N@H+]1CCc2ccccc2C1 ZINC000600987605 468708522 /nfs/dbraw/zinc/70/85/22/468708522.db2.gz DQQRLWFORSBVCL-HNNXBMFYSA-N 2 2 338.455 2.282 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612776 468921833 /nfs/dbraw/zinc/92/18/33/468921833.db2.gz VJPYEKOFGDUAIW-AEFFLSMTSA-N 2 2 348.487 2.240 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612776 468921837 /nfs/dbraw/zinc/92/18/37/468921837.db2.gz VJPYEKOFGDUAIW-AEFFLSMTSA-N 2 2 348.487 2.240 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612776 468921842 /nfs/dbraw/zinc/92/18/42/468921842.db2.gz VJPYEKOFGDUAIW-AEFFLSMTSA-N 2 2 348.487 2.240 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612776 468921845 /nfs/dbraw/zinc/92/18/45/468921845.db2.gz VJPYEKOFGDUAIW-AEFFLSMTSA-N 2 2 348.487 2.240 10 0 EEAELP Cc1cnc(CC[N@@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000563061413 469156736 /nfs/dbraw/zinc/15/67/36/469156736.db2.gz IBHRZPMEERKRPB-QUCCMNQESA-N 2 2 330.520 2.199 10 0 EEAELP Cc1cnc(CC[N@H+]2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000563061413 469156738 /nfs/dbraw/zinc/15/67/38/469156738.db2.gz IBHRZPMEERKRPB-QUCCMNQESA-N 2 2 330.520 2.199 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000573924627 469231918 /nfs/dbraw/zinc/23/19/18/469231918.db2.gz HQTFNAXFMKBYOW-UHFFFAOYSA-N 2 2 334.489 2.349 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000622143600 469381555 /nfs/dbraw/zinc/38/15/55/469381555.db2.gz BWYMTOHCIUFZGS-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000622143600 469381560 /nfs/dbraw/zinc/38/15/60/469381560.db2.gz BWYMTOHCIUFZGS-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000618547762 469385053 /nfs/dbraw/zinc/38/50/53/469385053.db2.gz ZKEWRPFTDNGWSU-CJNGLKHVSA-N 2 2 338.883 2.336 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000618547762 469385057 /nfs/dbraw/zinc/38/50/57/469385057.db2.gz ZKEWRPFTDNGWSU-CJNGLKHVSA-N 2 2 338.883 2.336 10 0 EEAELP CC(C)[C@H](C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)[NH+](C)C ZINC000629385187 469527161 /nfs/dbraw/zinc/52/71/61/469527161.db2.gz SRCFHUOTUXCVDB-LJQANCHMSA-N 2 2 342.487 2.398 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629519901 469572044 /nfs/dbraw/zinc/57/20/44/469572044.db2.gz INKYFDOFXLRUCU-QGZVFWFLSA-N 3 2 331.504 2.180 10 0 EEAELP CN1CCOC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000623713344 469741319 /nfs/dbraw/zinc/74/13/19/469741319.db2.gz YMQKNWRCMVOTJW-KRWDZBQOSA-N 2 2 337.895 2.225 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000626927479 469758014 /nfs/dbraw/zinc/75/80/14/469758014.db2.gz PEJKKZYJTQRJFM-XHSDSOJGSA-N 2 2 345.422 2.088 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000626931356 469758809 /nfs/dbraw/zinc/75/88/09/469758809.db2.gz CNLBWXREULOGKU-JKSUJKDBSA-N 2 2 331.464 2.012 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccccc2)CCCC1 ZINC000617768336 469798800 /nfs/dbraw/zinc/79/88/00/469798800.db2.gz ZNPLOZBMZOPQSF-UHFFFAOYSA-N 2 2 331.504 2.498 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccccc2)CCCC1 ZINC000617768336 469798804 /nfs/dbraw/zinc/79/88/04/469798804.db2.gz ZNPLOZBMZOPQSF-UHFFFAOYSA-N 2 2 331.504 2.498 10 0 EEAELP Cc1csc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)n1 ZINC000623958799 469805856 /nfs/dbraw/zinc/80/58/56/469805856.db2.gz ZTMLEBAOVJREFV-CHWSQXEVSA-N 2 2 333.461 2.027 10 0 EEAELP Cc1csc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)n1 ZINC000623958800 469806346 /nfs/dbraw/zinc/80/63/46/469806346.db2.gz ZTMLEBAOVJREFV-OLZOCXBDSA-N 2 2 333.461 2.027 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1CC[N@H+](CC)C1 ZINC000617924224 469839132 /nfs/dbraw/zinc/83/91/32/469839132.db2.gz QCLUJMJFUUZWAS-STQMWFEESA-N 2 2 346.397 2.399 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1CC[N@@H+](CC)C1 ZINC000617924224 469839138 /nfs/dbraw/zinc/83/91/38/469839138.db2.gz QCLUJMJFUUZWAS-STQMWFEESA-N 2 2 346.397 2.399 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000620776899 469914590 /nfs/dbraw/zinc/91/45/90/469914590.db2.gz BOFFKYYVAOCTNJ-LJQANCHMSA-N 2 2 338.455 2.148 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000620776899 469914594 /nfs/dbraw/zinc/91/45/94/469914594.db2.gz BOFFKYYVAOCTNJ-LJQANCHMSA-N 2 2 338.455 2.148 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C(F)F)C2CCCCC2)CC1 ZINC000621405459 470043197 /nfs/dbraw/zinc/04/31/97/470043197.db2.gz URUYDOPPYVFOBR-DZGCQCFKSA-N 2 2 331.451 2.343 10 0 EEAELP C[NH+]1CCC(CNC(=O)N2CC(CC3CC3)C2)([NH+]2CCCCC2)CC1 ZINC000621471410 470052550 /nfs/dbraw/zinc/05/25/50/470052550.db2.gz QHPFAIKCAZVFKE-UHFFFAOYSA-N 2 2 348.535 2.378 10 0 EEAELP CC(C)n1ncnc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000631052722 470057584 /nfs/dbraw/zinc/05/75/84/470057584.db2.gz IVSXRPSBLDGMOD-INIZCTEOSA-N 2 2 343.475 2.370 10 0 EEAELP CC(C)n1ncnc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000631052722 470057587 /nfs/dbraw/zinc/05/75/87/470057587.db2.gz IVSXRPSBLDGMOD-INIZCTEOSA-N 2 2 343.475 2.370 10 0 EEAELP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000621928120 470130785 /nfs/dbraw/zinc/13/07/85/470130785.db2.gz QDGJEFCEBVYYAS-AWEZNQCLSA-N 2 2 341.459 2.424 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)C1CCCCC1)CC2 ZINC000625483883 470153155 /nfs/dbraw/zinc/15/31/55/470153155.db2.gz XWIMPLLVQABVNJ-MRXNPFEDSA-N 2 2 332.492 2.477 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000631842705 470187177 /nfs/dbraw/zinc/18/71/77/470187177.db2.gz DSMGCRZQFUSKTF-NWDGAFQWSA-N 2 2 340.265 2.223 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1Br ZINC000631842705 470187178 /nfs/dbraw/zinc/18/71/78/470187178.db2.gz DSMGCRZQFUSKTF-NWDGAFQWSA-N 2 2 340.265 2.223 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccc(F)cc1 ZINC000631888024 470189757 /nfs/dbraw/zinc/18/97/57/470189757.db2.gz SKMOLMGVJIYDGW-WMLDXEAASA-N 2 2 340.464 2.063 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccc(F)cc1 ZINC000631888024 470189758 /nfs/dbraw/zinc/18/97/58/470189758.db2.gz SKMOLMGVJIYDGW-WMLDXEAASA-N 2 2 340.464 2.063 10 0 EEAELP Cc1cnc(CCCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)o1 ZINC000634194770 470230430 /nfs/dbraw/zinc/23/04/30/470230430.db2.gz UNXFJESHPBGIJL-UHFFFAOYSA-N 2 2 343.431 2.091 10 0 EEAELP c1cn2c([nH+]1)C[C@H]([NH2+]Cc1nnn(-c3ccccc3)c1C1CC1)CC2 ZINC000639070572 470374527 /nfs/dbraw/zinc/37/45/27/470374527.db2.gz AMGDTNMGQAAOIR-OAHLLOKOSA-N 2 2 334.427 2.446 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH+]1CC2(C1)CCCOC2 ZINC000639252731 470444503 /nfs/dbraw/zinc/44/45/03/470444503.db2.gz RKGFQKZPJKQEIC-UHFFFAOYSA-N 2 2 346.471 2.010 10 0 EEAELP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687986 470666200 /nfs/dbraw/zinc/66/62/00/470666200.db2.gz NHLOJLKIKKGCCK-CYBMUJFWSA-N 2 2 341.402 2.055 10 0 EEAELP C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687986 470666205 /nfs/dbraw/zinc/66/62/05/470666205.db2.gz NHLOJLKIKKGCCK-CYBMUJFWSA-N 2 2 341.402 2.055 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1F ZINC000636021343 470849585 /nfs/dbraw/zinc/84/95/85/470849585.db2.gz NEABMRQZLGUQCU-CHWSQXEVSA-N 2 2 332.379 2.231 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1F ZINC000636021343 470849593 /nfs/dbraw/zinc/84/95/93/470849593.db2.gz NEABMRQZLGUQCU-CHWSQXEVSA-N 2 2 332.379 2.231 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CCC[C@@H](CO)C3)c2cc1C ZINC000647526871 470922651 /nfs/dbraw/zinc/92/26/51/470922651.db2.gz PFBBZKNOGDAACO-IXDOHACOSA-N 2 2 331.460 2.155 10 0 EEAELP COc1ccc(F)cc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625748 470999900 /nfs/dbraw/zinc/99/99/00/470999900.db2.gz OYKZQPUUWOBEQV-SFHVURJKSA-N 2 2 332.419 2.417 10 0 EEAELP COc1ccc(F)cc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625748 470999904 /nfs/dbraw/zinc/99/99/04/470999904.db2.gz OYKZQPUUWOBEQV-SFHVURJKSA-N 2 2 332.419 2.417 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899169 471010399 /nfs/dbraw/zinc/01/03/99/471010399.db2.gz BPCGVKWNWNERAY-AYBZRNKSSA-N 2 2 347.478 2.337 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899169 471010401 /nfs/dbraw/zinc/01/04/01/471010401.db2.gz BPCGVKWNWNERAY-AYBZRNKSSA-N 2 2 347.478 2.337 10 0 EEAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901221 471012289 /nfs/dbraw/zinc/01/22/89/471012289.db2.gz LDNQLHGAVQQEDA-IXDOHACOSA-N 2 2 348.491 2.944 10 0 EEAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901221 471012293 /nfs/dbraw/zinc/01/22/93/471012293.db2.gz LDNQLHGAVQQEDA-IXDOHACOSA-N 2 2 348.491 2.944 10 0 EEAELP c1cnn(C2CC([NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)C2)c1 ZINC000638337074 471045536 /nfs/dbraw/zinc/04/55/36/471045536.db2.gz LSNHRYGGHCWCNH-UHFFFAOYSA-N 2 2 339.487 2.389 10 0 EEAELP C[C@@H]1CCC[C@](CNC(=O)Cc2cn3c([nH+]2)CCCC3)([NH+](C)C)C1 ZINC000651164775 471074576 /nfs/dbraw/zinc/07/45/76/471074576.db2.gz GMOCGFLPKYLTAT-BEFAXECRSA-N 2 2 332.492 2.389 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162124 471105815 /nfs/dbraw/zinc/10/58/15/471105815.db2.gz KUARVVPJYVYILO-BVIHXZOGSA-N 2 2 325.815 2.078 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162124 471105818 /nfs/dbraw/zinc/10/58/18/471105818.db2.gz KUARVVPJYVYILO-BVIHXZOGSA-N 2 2 325.815 2.078 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000648161066 471105883 /nfs/dbraw/zinc/10/58/83/471105883.db2.gz SNTHOCJNWJOATF-IIAWOOMASA-N 2 2 341.377 2.107 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000648161066 471105891 /nfs/dbraw/zinc/10/58/91/471105891.db2.gz SNTHOCJNWJOATF-IIAWOOMASA-N 2 2 341.377 2.107 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162070 471105937 /nfs/dbraw/zinc/10/59/37/471105937.db2.gz GFFPEBVTCFPSRN-BZRJDHSHSA-N 2 2 337.826 2.091 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162070 471105940 /nfs/dbraw/zinc/10/59/40/471105940.db2.gz GFFPEBVTCFPSRN-BZRJDHSHSA-N 2 2 337.826 2.091 10 0 EEAELP Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)NC(C)(C)C[NH+](C)C ZINC000651332497 471133164 /nfs/dbraw/zinc/13/31/64/471133164.db2.gz YBXVIXILGOAUFN-MRXNPFEDSA-N 2 2 343.475 2.343 10 0 EEAELP CN(CCC(=O)NCC1CC[NH+](CC(F)F)CC1)c1cc[nH+]cc1 ZINC000655084715 471263136 /nfs/dbraw/zinc/26/31/36/471263136.db2.gz AOKZSKWWRVANSO-UHFFFAOYSA-N 2 2 340.418 2.001 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC(C(C)(C)C)C3)C2)CC1 ZINC000652370749 471281246 /nfs/dbraw/zinc/28/12/46/471281246.db2.gz NQMDXPHEFQTNDR-PCKAHOCUSA-N 2 2 336.524 2.279 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CC(C(C)(C)C)C3)C2)CC1 ZINC000652370749 471281249 /nfs/dbraw/zinc/28/12/49/471281249.db2.gz NQMDXPHEFQTNDR-PCKAHOCUSA-N 2 2 336.524 2.279 10 0 EEAELP CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000658299463 471287048 /nfs/dbraw/zinc/28/70/48/471287048.db2.gz BDBGONHMIOEUPN-CQSZACIVSA-N 2 2 333.457 2.490 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000655243311 471289920 /nfs/dbraw/zinc/28/99/20/471289920.db2.gz WMHHGZHHBRBILT-FJIDUMEYSA-N 2 2 339.524 2.111 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000658340031 471290377 /nfs/dbraw/zinc/29/03/77/471290377.db2.gz ALLFIIDCHXLYCJ-IHPCNDPISA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000658340031 471290378 /nfs/dbraw/zinc/29/03/78/471290378.db2.gz ALLFIIDCHXLYCJ-IHPCNDPISA-N 2 2 331.504 2.350 10 0 EEAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341933 471290428 /nfs/dbraw/zinc/29/04/28/471290428.db2.gz KWYBSGYXGUMXAX-CRAIPNDOSA-N 2 2 327.476 2.185 10 0 EEAELP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341933 471290429 /nfs/dbraw/zinc/29/04/29/471290429.db2.gz KWYBSGYXGUMXAX-CRAIPNDOSA-N 2 2 327.476 2.185 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-n2cc[nH+]c2)ccn1 ZINC000655349841 471306655 /nfs/dbraw/zinc/30/66/55/471306655.db2.gz HGXWMMVJRUNYQC-RDJZCZTQSA-N 2 2 325.416 2.014 10 0 EEAELP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(-n2cc[nH+]c2)ccn1 ZINC000655349841 471306658 /nfs/dbraw/zinc/30/66/58/471306658.db2.gz HGXWMMVJRUNYQC-RDJZCZTQSA-N 2 2 325.416 2.014 10 0 EEAELP CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000663524229 471412135 /nfs/dbraw/zinc/41/21/35/471412135.db2.gz ULWOMLIIORLYKU-DLBZAZTESA-N 2 2 341.459 2.245 10 0 EEAELP CCN(C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000663524229 471412139 /nfs/dbraw/zinc/41/21/39/471412139.db2.gz ULWOMLIIORLYKU-DLBZAZTESA-N 2 2 341.459 2.245 10 0 EEAELP c1c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)nn2c1CCCC2 ZINC000655711612 471453518 /nfs/dbraw/zinc/45/35/18/471453518.db2.gz JRTUDDOWCSGUPF-UHFFFAOYSA-N 2 2 340.471 2.341 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(F)(F)C(C)(C)C)C2)CC1 ZINC000660712868 471458276 /nfs/dbraw/zinc/45/82/76/471458276.db2.gz NQUKMLDSOFALLQ-CYBMUJFWSA-N 2 2 346.466 2.136 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(F)(F)C(C)(C)C)C2)CC1 ZINC000660712868 471458280 /nfs/dbraw/zinc/45/82/80/471458280.db2.gz NQUKMLDSOFALLQ-CYBMUJFWSA-N 2 2 346.466 2.136 10 0 EEAELP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000655937893 471551169 /nfs/dbraw/zinc/55/11/69/471551169.db2.gz GWQPIFXXDSYBNG-SFHVURJKSA-N 2 2 345.487 2.215 10 0 EEAELP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000655937893 471551176 /nfs/dbraw/zinc/55/11/76/471551176.db2.gz GWQPIFXXDSYBNG-SFHVURJKSA-N 2 2 345.487 2.215 10 0 EEAELP CC(C)c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)c(=O)c1 ZINC000663910868 471574014 /nfs/dbraw/zinc/57/40/14/471574014.db2.gz QPRPLIGRKMLIJN-GOSISDBHSA-N 2 2 348.487 2.418 10 0 EEAELP CC(C)c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(O)c(=O)c1 ZINC000663910868 471574018 /nfs/dbraw/zinc/57/40/18/471574018.db2.gz QPRPLIGRKMLIJN-GOSISDBHSA-N 2 2 348.487 2.418 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000669653880 471585646 /nfs/dbraw/zinc/58/56/46/471585646.db2.gz DKAVRACSLXBTNX-HOTGVXAUSA-N 2 2 345.491 2.203 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000669653880 471585653 /nfs/dbraw/zinc/58/56/53/471585653.db2.gz DKAVRACSLXBTNX-HOTGVXAUSA-N 2 2 345.491 2.203 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000667084306 471648186 /nfs/dbraw/zinc/64/81/86/471648186.db2.gz JXDPCAOXMLHNSV-ZBFHGGJFSA-N 2 2 343.431 2.082 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCO[C@@H]3CC3(F)F)c2cc1C ZINC000656708366 471814198 /nfs/dbraw/zinc/81/41/98/471814198.db2.gz MNBYZDATPNUGIE-CZUORRHYSA-N 2 2 339.386 2.028 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2cnccn2)cc1F ZINC000665259596 471982684 /nfs/dbraw/zinc/98/26/84/471982684.db2.gz JSKQEXLAWIKROE-SKDZVZGDSA-N 2 2 344.434 2.291 10 0 EEAELP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665257026 471982836 /nfs/dbraw/zinc/98/28/36/471982836.db2.gz WPJRLAPXGLDANU-ATZDWAIDSA-N 2 2 347.503 2.377 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000662099459 471985255 /nfs/dbraw/zinc/98/52/55/471985255.db2.gz FYEMDAOKURHQFJ-MRXNPFEDSA-N 2 2 341.459 2.317 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCCOC2)O1 ZINC000668098736 472008635 /nfs/dbraw/zinc/00/86/35/472008635.db2.gz QAZNAJBIEHTCNX-CRAIPNDOSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCCOC2)O1 ZINC000668098736 472008639 /nfs/dbraw/zinc/00/86/39/472008639.db2.gz QAZNAJBIEHTCNX-CRAIPNDOSA-N 2 2 328.416 2.037 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662504550 472131851 /nfs/dbraw/zinc/13/18/51/472131851.db2.gz XFIQUAHIXQGYSU-QGZVFWFLSA-N 2 2 326.444 2.424 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000662546414 472147471 /nfs/dbraw/zinc/14/74/71/472147471.db2.gz JMXVVGAYAGXNIL-HNNXBMFYSA-N 2 2 344.459 2.096 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1([NH2+]C2CC2)CCC1 ZINC000662674099 472198201 /nfs/dbraw/zinc/19/82/01/472198201.db2.gz VDDXLCIUMSMXNW-UHFFFAOYSA-N 2 2 328.460 2.363 10 0 EEAELP CO[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000668687699 472226990 /nfs/dbraw/zinc/22/69/90/472226990.db2.gz MQJFVTDLUGMRGL-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP CO[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000668687699 472226994 /nfs/dbraw/zinc/22/69/94/472226994.db2.gz MQJFVTDLUGMRGL-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP COC[C@@H](C)Oc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739459 472248026 /nfs/dbraw/zinc/24/80/26/472248026.db2.gz MVSPQHITOIIZLQ-VQIMIIECSA-N 2 2 348.487 2.131 10 0 EEAELP COC[C@@H](C)Oc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739459 472248031 /nfs/dbraw/zinc/24/80/31/472248031.db2.gz MVSPQHITOIIZLQ-VQIMIIECSA-N 2 2 348.487 2.131 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000668784419 472267062 /nfs/dbraw/zinc/26/70/62/472267062.db2.gz CIZPVJPWQAQFEP-INIZCTEOSA-N 3 2 334.489 2.476 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000668784419 472267065 /nfs/dbraw/zinc/26/70/65/472267065.db2.gz CIZPVJPWQAQFEP-INIZCTEOSA-N 3 2 334.489 2.476 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N[C@H]1CCOc2ccccc21 ZINC000674373495 485717565 /nfs/dbraw/zinc/71/75/65/485717565.db2.gz UQWGAYVYZFMKSL-INIZCTEOSA-N 2 2 340.427 2.229 10 0 EEAELP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000675178824 485919431 /nfs/dbraw/zinc/91/94/31/485919431.db2.gz WOTJNUGCXNPCSK-INIZCTEOSA-N 2 2 345.491 2.224 10 0 EEAELP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CC(=O)N(C)C)CC1 ZINC000680888014 486077995 /nfs/dbraw/zinc/07/79/95/486077995.db2.gz TXQSKAVZHMLJMG-UHFFFAOYSA-N 2 2 326.444 2.062 10 0 EEAELP CN(C(=O)NCCC1(F)CCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000673196391 486291995 /nfs/dbraw/zinc/29/19/95/486291995.db2.gz FZRFQIPSLMZYGX-MRXNPFEDSA-N 2 2 340.487 2.079 10 0 EEAELP CN(C(=O)NCCC1(F)CCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000673196391 486291998 /nfs/dbraw/zinc/29/19/98/486291998.db2.gz FZRFQIPSLMZYGX-MRXNPFEDSA-N 2 2 340.487 2.079 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCC2CS(=O)(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000682497923 486485617 /nfs/dbraw/zinc/48/56/17/486485617.db2.gz KHNOMRUWSDBEQD-YJBOKZPZSA-N 2 2 336.501 2.064 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCC2CS(=O)(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000682497923 486485619 /nfs/dbraw/zinc/48/56/19/486485619.db2.gz KHNOMRUWSDBEQD-YJBOKZPZSA-N 2 2 336.501 2.064 10 0 EEAELP Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682609773 486517029 /nfs/dbraw/zinc/51/70/29/486517029.db2.gz UGSJSVWRHLJHGP-QGZVFWFLSA-N 2 2 331.464 2.022 10 0 EEAELP Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682609773 486517034 /nfs/dbraw/zinc/51/70/34/486517034.db2.gz UGSJSVWRHLJHGP-QGZVFWFLSA-N 2 2 331.464 2.022 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000171595535 534687006 /nfs/dbraw/zinc/68/70/06/534687006.db2.gz NIFXIYNRFAGMEB-MRXNPFEDSA-N 2 2 341.459 2.224 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000171595535 534687012 /nfs/dbraw/zinc/68/70/12/534687012.db2.gz NIFXIYNRFAGMEB-MRXNPFEDSA-N 2 2 341.459 2.224 10 0 EEAELP CCOCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888673 528686715 /nfs/dbraw/zinc/68/67/15/528686715.db2.gz UDSKXHMMRARQCT-HOTGVXAUSA-N 2 2 344.459 2.454 10 0 EEAELP Cn1nccc1[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796723 576300558 /nfs/dbraw/zinc/30/05/58/576300558.db2.gz MBYXHABYBZOBOH-RBUKOAKNSA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796723 576300560 /nfs/dbraw/zinc/30/05/60/576300560.db2.gz MBYXHABYBZOBOH-RBUKOAKNSA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000726796723 576300562 /nfs/dbraw/zinc/30/05/62/576300562.db2.gz MBYXHABYBZOBOH-RBUKOAKNSA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000726796723 576300564 /nfs/dbraw/zinc/30/05/64/576300564.db2.gz MBYXHABYBZOBOH-RBUKOAKNSA-N 2 2 342.487 2.092 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765988832 577510758 /nfs/dbraw/zinc/51/07/58/577510758.db2.gz UHLHAONOTFKGRT-SUNYJGFJSA-N 2 2 335.467 2.388 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765988832 577510759 /nfs/dbraw/zinc/51/07/59/577510759.db2.gz UHLHAONOTFKGRT-SUNYJGFJSA-N 2 2 335.467 2.388 10 0 EEAELP C[C@@H]1CC[N@H+](Cn2c3ccccc3n(C)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000759151976 577638112 /nfs/dbraw/zinc/63/81/12/577638112.db2.gz WCWDLFHOECQFGS-PBHICJAKSA-N 2 2 325.416 2.077 10 0 EEAELP C[C@@H]1CC[N@@H+](Cn2c3ccccc3n(C)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000759151976 577638113 /nfs/dbraw/zinc/63/81/13/577638113.db2.gz WCWDLFHOECQFGS-PBHICJAKSA-N 2 2 325.416 2.077 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=S)NCCC[NH+](C)C)c1ccccc1 ZINC000743023640 577879378 /nfs/dbraw/zinc/87/93/78/577879378.db2.gz YYEBNEALIMMDKF-INIZCTEOSA-N 2 2 345.516 2.120 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000176075585 676849506 /nfs/dbraw/zinc/84/95/06/676849506.db2.gz VSRJMRKQKSVGNS-QAPCUYQASA-N 2 2 332.448 2.035 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000176075585 676849508 /nfs/dbraw/zinc/84/95/08/676849508.db2.gz VSRJMRKQKSVGNS-QAPCUYQASA-N 2 2 332.448 2.035 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000895459968 684608099 /nfs/dbraw/zinc/60/80/99/684608099.db2.gz CUQARRXJHCTXSP-CXAGYDPISA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000895459968 684608100 /nfs/dbraw/zinc/60/81/00/684608100.db2.gz CUQARRXJHCTXSP-CXAGYDPISA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000895459968 684608101 /nfs/dbraw/zinc/60/81/01/684608101.db2.gz CUQARRXJHCTXSP-CXAGYDPISA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000895459968 684608102 /nfs/dbraw/zinc/60/81/02/684608102.db2.gz CUQARRXJHCTXSP-CXAGYDPISA-N 2 2 327.428 2.481 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001485792027 1191955072 /nfs/dbraw/zinc/95/50/72/1191955072.db2.gz WVCFYHDQOHHJKR-MRXNPFEDSA-N 2 2 332.423 2.412 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC001266917262 1177795615 /nfs/dbraw/zinc/79/56/15/1177795615.db2.gz WMVGXXFRBCGYLC-UHFFFAOYSA-N 2 2 348.491 2.107 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1C ZINC001267396306 1178966112 /nfs/dbraw/zinc/96/61/12/1178966112.db2.gz RZUHIYRYCGFRNC-GOSISDBHSA-N 2 2 340.471 2.311 10 0 EEAELP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)cc(F)c1 ZINC001481154437 1179942974 /nfs/dbraw/zinc/94/29/74/1179942974.db2.gz MNOAHQQJVHVRLQ-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)cc(F)c1 ZINC001481154437 1179942982 /nfs/dbraw/zinc/94/29/82/1179942982.db2.gz MNOAHQQJVHVRLQ-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001481247224 1180444998 /nfs/dbraw/zinc/44/49/98/1180444998.db2.gz BMMGBWVKMTYSSE-KRWDZBQOSA-N 2 2 340.471 2.311 10 0 EEAELP C[C@](C[NH2+]Cc1ccnc(Cl)c1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001267863190 1180648002 /nfs/dbraw/zinc/64/80/02/1180648002.db2.gz ZPBQZJGGPODWOP-QGZVFWFLSA-N 2 2 347.850 2.075 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C/C=C\c1ccccc1 ZINC001268011168 1180970173 /nfs/dbraw/zinc/97/01/73/1180970173.db2.gz SLKZMINRBRLNOP-HWYHOQROSA-N 2 2 326.444 2.018 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001481410677 1181246513 /nfs/dbraw/zinc/24/65/13/1181246513.db2.gz LQPRICNDXIFCEW-KRWDZBQOSA-N 2 2 332.492 2.466 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]cn1C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001481410677 1181246520 /nfs/dbraw/zinc/24/65/20/1181246520.db2.gz LQPRICNDXIFCEW-KRWDZBQOSA-N 2 2 332.492 2.466 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H](CCNC(=O)C[C@H](C)n3cc[nH+]c3)C2)on1 ZINC001481451783 1181388499 /nfs/dbraw/zinc/38/84/99/1181388499.db2.gz SEKCJXQFGNIQOA-JKSUJKDBSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H](CCNC(=O)C[C@H](C)n3cc[nH+]c3)C2)on1 ZINC001481451783 1181388504 /nfs/dbraw/zinc/38/85/04/1181388504.db2.gz SEKCJXQFGNIQOA-JKSUJKDBSA-N 2 2 345.447 2.159 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCC(F)(F)F ZINC001268192088 1181985387 /nfs/dbraw/zinc/98/53/87/1181985387.db2.gz LQTAYNNQLKNQCS-AAEUAGOBSA-N 2 2 332.370 2.121 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccc(F)c1 ZINC001691766949 1182045297 /nfs/dbraw/zinc/04/52/97/1182045297.db2.gz IBHRVLSALMMBDP-UHFFFAOYSA-N 2 2 332.423 2.439 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccc(F)c1 ZINC001691766949 1182045299 /nfs/dbraw/zinc/04/52/99/1182045299.db2.gz IBHRVLSALMMBDP-UHFFFAOYSA-N 2 2 332.423 2.439 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001268287539 1182166522 /nfs/dbraw/zinc/16/65/22/1182166522.db2.gz HCXCWERIBMAEAN-QWRGUYRKSA-N 2 2 331.247 2.146 10 0 EEAELP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)noc1C)[NH+](CC)CC ZINC001481678040 1182198425 /nfs/dbraw/zinc/19/84/25/1182198425.db2.gz MYJSAWBLOQQCTG-BQFCYCMXSA-N 2 2 348.491 2.197 10 0 EEAELP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1c(C)noc1C)[NH+](CC)CC ZINC001481678040 1182198426 /nfs/dbraw/zinc/19/84/26/1182198426.db2.gz MYJSAWBLOQQCTG-BQFCYCMXSA-N 2 2 348.491 2.197 10 0 EEAELP CC[C@H](F)C[NH2+]CC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001268408444 1182536913 /nfs/dbraw/zinc/53/69/13/1182536913.db2.gz LHKATKBHEQZXPF-CABCVRRESA-N 2 2 334.439 2.418 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH2+]Cc1ccsc1)C1CC1 ZINC001481946749 1183012527 /nfs/dbraw/zinc/01/25/27/1183012527.db2.gz FNICZPUORDSEBD-QGZVFWFLSA-N 2 2 332.473 2.397 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001482103504 1183337401 /nfs/dbraw/zinc/33/74/01/1183337401.db2.gz VKWNHRZYSWAVFM-PBHICJAKSA-N 2 2 335.496 2.178 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001482103504 1183337408 /nfs/dbraw/zinc/33/74/08/1183337408.db2.gz VKWNHRZYSWAVFM-PBHICJAKSA-N 2 2 335.496 2.178 10 0 EEAELP CC(C)c1cccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2c[nH+]cn2C)n1 ZINC001482157942 1183476451 /nfs/dbraw/zinc/47/64/51/1183476451.db2.gz AONRXNWWNPCADL-OAHLLOKOSA-N 2 2 343.475 2.023 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001482159968 1183480005 /nfs/dbraw/zinc/48/00/05/1183480005.db2.gz VYQMWJCYNKEEDV-UONOGXRCSA-N 2 2 342.434 2.130 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1)c1ccc2c(c1)CCC2 ZINC001268606459 1183511741 /nfs/dbraw/zinc/51/17/41/1183511741.db2.gz FHNGYMLSEOLABQ-GWQWAINWSA-N 2 2 338.455 2.464 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)CCc1[nH+]ccn1C ZINC001268654539 1183583948 /nfs/dbraw/zinc/58/39/48/1183583948.db2.gz ABPSMJHDEHJZNW-VXGBXAGGSA-N 2 2 347.290 2.031 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)sn1 ZINC001269771057 1184609975 /nfs/dbraw/zinc/60/99/75/1184609975.db2.gz WKYSHVVUIVTCIQ-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1ncc(C[NH2+]CCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)s1 ZINC001269913123 1184712208 /nfs/dbraw/zinc/71/22/08/1184712208.db2.gz GUZGKHFOIGTNDJ-UHFFFAOYSA-N 2 2 347.488 2.136 10 0 EEAELP O=C(NC[C@H]1C[C@H]([NH2+]CCCCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691506369 1184866226 /nfs/dbraw/zinc/86/62/26/1184866226.db2.gz OHGWFMANIKBMAL-BZUAXINKSA-N 2 2 336.455 2.070 10 0 EEAELP CCc1nc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cs1 ZINC001482339361 1185437764 /nfs/dbraw/zinc/43/77/64/1185437764.db2.gz UZEGISFKVIAFRI-ZIAGYGMSSA-N 2 2 349.504 2.490 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001482358629 1185506452 /nfs/dbraw/zinc/50/64/52/1185506452.db2.gz QKUBMMONKATHNR-KBPBESRZSA-N 2 2 344.459 2.467 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001280308200 1185519951 /nfs/dbraw/zinc/51/99/51/1185519951.db2.gz QSTWFMGRSTURJW-GKWYLQRDSA-N 2 2 331.247 2.030 10 0 EEAELP CC(C)C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)Cn1cc[nH+]c1 ZINC001482400612 1185614118 /nfs/dbraw/zinc/61/41/18/1185614118.db2.gz OSASQDKFJIRXJC-LSDHHAIUSA-N 2 2 342.434 2.439 10 0 EEAELP COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001482471844 1186001240 /nfs/dbraw/zinc/00/12/40/1186001240.db2.gz LDTYAOKGYHJFKA-NVXWUHKLSA-N 2 2 333.476 2.484 10 0 EEAELP COCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001271491247 1186267231 /nfs/dbraw/zinc/26/72/31/1186267231.db2.gz OXDOJTIXZJDXSC-NVXWUHKLSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)c(C)o1 ZINC001271585840 1186325346 /nfs/dbraw/zinc/32/53/46/1186325346.db2.gz WGZJOHQMVPSRSN-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001482657596 1187494399 /nfs/dbraw/zinc/49/43/99/1187494399.db2.gz AHXAIPPDXUWHFW-IRXDYDNUSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001482657596 1187494403 /nfs/dbraw/zinc/49/44/03/1187494403.db2.gz AHXAIPPDXUWHFW-IRXDYDNUSA-N 2 2 332.492 2.466 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001482659909 1187498227 /nfs/dbraw/zinc/49/82/27/1187498227.db2.gz SYKTYEDDOZUJLB-RDTXWAMCSA-N 2 2 342.443 2.136 10 0 EEAELP CCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@H]21 ZINC001482659909 1187498230 /nfs/dbraw/zinc/49/82/30/1187498230.db2.gz SYKTYEDDOZUJLB-RDTXWAMCSA-N 2 2 342.443 2.136 10 0 EEAELP Cc1cnc(C[NH2+]CC2CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)s1 ZINC001409272147 1188508985 /nfs/dbraw/zinc/50/89/85/1188508985.db2.gz LOKAELZTTPBVFS-LRVUVFPRSA-N 2 2 347.488 2.284 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)[C@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001485834375 1193568059 /nfs/dbraw/zinc/56/80/59/1193568059.db2.gz GZPDMNODHWVNJQ-CQSZACIVSA-N 2 2 346.397 2.132 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483145375 1188767901 /nfs/dbraw/zinc/76/79/01/1188767901.db2.gz XLWFDJZJNRFJIP-OCCSQVGLSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483168108 1189006723 /nfs/dbraw/zinc/00/67/23/1189006723.db2.gz OCDXBKGSIGCMNE-KBAYOESNSA-N 2 2 340.471 2.251 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2c(C)noc2C)c[nH+]1 ZINC001409341961 1189546716 /nfs/dbraw/zinc/54/67/16/1189546716.db2.gz CAWWPMSEHSFQQI-QWHCGFSZSA-N 2 2 347.463 2.214 10 0 EEAELP C[C@@H]([NH2+]CCc1ccccc1Cl)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409448450 1189693997 /nfs/dbraw/zinc/69/39/97/1189693997.db2.gz DMOCXIIHFPXXSE-KGLIPLIRSA-N 2 2 334.851 2.262 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1F ZINC001409472371 1189786825 /nfs/dbraw/zinc/78/68/25/1189786825.db2.gz RSUCMWSHADAZFA-QWRGUYRKSA-N 2 2 336.386 2.222 10 0 EEAELP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485924298 1193641850 /nfs/dbraw/zinc/64/18/50/1193641850.db2.gz XQGQRCXUIKSHLU-KBAYOESNSA-N 2 2 340.471 2.469 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCCn2cc[nH+]c2)c(C)n1 ZINC001485963556 1193655273 /nfs/dbraw/zinc/65/52/73/1193655273.db2.gz RWZHIXYMZWFPJS-MRXNPFEDSA-N 2 2 343.475 2.312 10 0 EEAELP Cc1conc1C[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001483421379 1190468406 /nfs/dbraw/zinc/46/84/06/1190468406.db2.gz BYEQPMVLLZKRKM-MRXNPFEDSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1conc1C[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001483421379 1190468409 /nfs/dbraw/zinc/46/84/09/1190468409.db2.gz BYEQPMVLLZKRKM-MRXNPFEDSA-N 2 2 336.480 2.186 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1 ZINC001483497246 1190513740 /nfs/dbraw/zinc/51/37/40/1190513740.db2.gz JDNAHVQYWYHBEU-ZDUSSCGKSA-N 2 2 349.866 2.275 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1 ZINC001483497246 1190513742 /nfs/dbraw/zinc/51/37/42/1190513742.db2.gz JDNAHVQYWYHBEU-ZDUSSCGKSA-N 2 2 349.866 2.275 10 0 EEAELP CC1CC(C[N@@H+]2CC[C@@]3(NC(=O)CCn4cc[nH+]c4)CCC[C@H]23)C1 ZINC001486145315 1193697024 /nfs/dbraw/zinc/69/70/24/1193697024.db2.gz DFROZFRQFCGWLA-AKSNENBUSA-N 2 2 330.476 2.433 10 0 EEAELP CC1CC(C[N@H+]2CC[C@@]3(NC(=O)CCn4cc[nH+]c4)CCC[C@H]23)C1 ZINC001486145315 1193697025 /nfs/dbraw/zinc/69/70/25/1193697025.db2.gz DFROZFRQFCGWLA-AKSNENBUSA-N 2 2 330.476 2.433 10 0 EEAELP CCCOc1cccc(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001483701623 1190775766 /nfs/dbraw/zinc/77/57/66/1190775766.db2.gz IAZAECGTPZPVQV-GOSISDBHSA-N 2 2 345.487 2.262 10 0 EEAELP CCCOc1cccc(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)c1 ZINC001483701623 1190775769 /nfs/dbraw/zinc/77/57/69/1190775769.db2.gz IAZAECGTPZPVQV-GOSISDBHSA-N 2 2 345.487 2.262 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001272474924 1190840739 /nfs/dbraw/zinc/84/07/39/1190840739.db2.gz KRLWLNWKQKWKLA-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2F)C1 ZINC001272598713 1190913506 /nfs/dbraw/zinc/91/35/06/1190913506.db2.gz JGQGSBVBMNAVIZ-CYBMUJFWSA-N 2 2 348.397 2.259 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001483811269 1191056358 /nfs/dbraw/zinc/05/63/58/1191056358.db2.gz YXDSLHQCPJEGMF-KURKYZTESA-N 2 2 348.491 2.326 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001483811269 1191056361 /nfs/dbraw/zinc/05/63/61/1191056361.db2.gz YXDSLHQCPJEGMF-KURKYZTESA-N 2 2 348.491 2.326 10 0 EEAELP Cc1cc(C)c(C(=O)NCC2([NH2+]CCCF)CCOCC2)c(C)[nH+]1 ZINC001484183562 1191263373 /nfs/dbraw/zinc/26/33/73/1191263373.db2.gz JAKCJCXFKQEFFB-UHFFFAOYSA-N 2 2 337.439 2.235 10 0 EEAELP CCC(CC)C[N@@H+]1CCOC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001484602423 1191435080 /nfs/dbraw/zinc/43/50/80/1191435080.db2.gz ARYDLIGQVPSMGZ-RDJZCZTQSA-N 2 2 336.480 2.087 10 0 EEAELP CCC(CC)C[N@H+]1CCOC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001484602423 1191435081 /nfs/dbraw/zinc/43/50/81/1191435081.db2.gz ARYDLIGQVPSMGZ-RDJZCZTQSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CCC2)o1 ZINC001484660343 1191461382 /nfs/dbraw/zinc/46/13/82/1191461382.db2.gz GOSUDAXUMCWVNW-HOTGVXAUSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCc1ccsc1 ZINC001484898215 1191568088 /nfs/dbraw/zinc/56/80/88/1191568088.db2.gz FBEBYIMRIAMRAF-XJKSGUPXSA-N 2 2 332.473 2.083 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCc1ccccc1 ZINC001484899073 1191568283 /nfs/dbraw/zinc/56/82/83/1191568283.db2.gz KLUNVXRZQUEEOF-MAUKXSAKSA-N 2 2 326.444 2.022 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC(C)([NH2+]CCCCCF)CC1 ZINC001484929120 1191574335 /nfs/dbraw/zinc/57/43/35/1191574335.db2.gz VWZAHZKXIYZKME-UHFFFAOYSA-N 2 2 338.471 2.463 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001485176743 1191677463 /nfs/dbraw/zinc/67/74/63/1191677463.db2.gz LJPIEHZAGCGFJS-VXGBXAGGSA-N 2 2 335.477 2.030 10 0 EEAELP CCOCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001486148720 1193699532 /nfs/dbraw/zinc/69/95/32/1193699532.db2.gz UHPATYLZBMZOMC-HHXXYDBFSA-N 2 2 348.491 2.128 10 0 EEAELP CCOCCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001486148720 1193699534 /nfs/dbraw/zinc/69/95/34/1193699534.db2.gz UHPATYLZBMZOMC-HHXXYDBFSA-N 2 2 348.491 2.128 10 0 EEAELP CCOCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001486148720 1193699535 /nfs/dbraw/zinc/69/95/35/1193699535.db2.gz UHPATYLZBMZOMC-HHXXYDBFSA-N 2 2 348.491 2.128 10 0 EEAELP CCOCCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001486148720 1193699537 /nfs/dbraw/zinc/69/95/37/1193699537.db2.gz UHPATYLZBMZOMC-HHXXYDBFSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](Cc2ccsc2)CC1 ZINC001486442563 1193970775 /nfs/dbraw/zinc/97/07/75/1193970775.db2.gz WTBDJRBTRCGTRU-CQSZACIVSA-N 2 2 332.473 2.362 10 0 EEAELP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)oc1C ZINC001486477489 1193992167 /nfs/dbraw/zinc/99/21/67/1193992167.db2.gz QGEQPRZUJWIXGK-UWTIGNOOSA-N 2 2 345.447 2.218 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273090774 1194378384 /nfs/dbraw/zinc/37/83/84/1194378384.db2.gz OYHSBCCCRLFYQP-WDEREUQCSA-N 2 2 333.263 2.021 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001410528294 1198088235 /nfs/dbraw/zinc/08/82/35/1198088235.db2.gz JGSZWAYKJIUXGB-OAHLLOKOSA-N 2 2 326.444 2.009 10 0 EEAELP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000872218766 1198093126 /nfs/dbraw/zinc/09/31/26/1198093126.db2.gz SSMHTZOGMHBMPO-HNNXBMFYSA-N 2 2 339.867 2.103 10 0 EEAELP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000872218766 1198093132 /nfs/dbraw/zinc/09/31/32/1198093132.db2.gz SSMHTZOGMHBMPO-HNNXBMFYSA-N 2 2 339.867 2.103 10 0 EEAELP CC(C)Cc1cc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000865534920 1198264748 /nfs/dbraw/zinc/26/47/48/1198264748.db2.gz KTUMUNRFKRCJEA-SFHVURJKSA-N 2 2 331.508 2.280 10 0 EEAELP CC(C)Cc1cc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000865534920 1198264754 /nfs/dbraw/zinc/26/47/54/1198264754.db2.gz KTUMUNRFKRCJEA-SFHVURJKSA-N 2 2 331.508 2.280 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000865625961 1198304186 /nfs/dbraw/zinc/30/41/86/1198304186.db2.gz FJZKKNZOAVRSAT-GOSISDBHSA-N 2 2 346.471 2.199 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCCC1(F)F ZINC001493067333 1198797162 /nfs/dbraw/zinc/79/71/62/1198797162.db2.gz MRLFWJZKUPZLFE-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@@H]1CCCC1(F)F ZINC001493067333 1198797165 /nfs/dbraw/zinc/79/71/65/1198797165.db2.gz MRLFWJZKUPZLFE-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP Cc1nc(CC[N@@H+](C)CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)C)cs1 ZINC001411197284 1198899166 /nfs/dbraw/zinc/89/91/66/1198899166.db2.gz YWVKWVOJLYAMCJ-UHFFFAOYSA-N 2 2 349.504 2.129 10 0 EEAELP Cc1nc(CC[N@H+](C)CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)C)cs1 ZINC001411197284 1198899170 /nfs/dbraw/zinc/89/91/70/1198899170.db2.gz YWVKWVOJLYAMCJ-UHFFFAOYSA-N 2 2 349.504 2.129 10 0 EEAELP Cc1nocc1C[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001411223954 1198934856 /nfs/dbraw/zinc/93/48/56/1198934856.db2.gz XNUYIWHHUKBJQN-XJKSGUPXSA-N 2 2 347.463 2.451 10 0 EEAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000810252585 1199405070 /nfs/dbraw/zinc/40/50/70/1199405070.db2.gz GVPQLUFLJDLEBJ-RIFZZMRRSA-N 2 2 340.471 2.146 10 0 EEAELP CCOCC[NH+]1CCC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001274885524 1205197453 /nfs/dbraw/zinc/19/74/53/1205197453.db2.gz MIVCFRSEALQBPI-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1C[NH2+]CCc1cccs1 ZINC001275818223 1205549051 /nfs/dbraw/zinc/54/90/51/1205549051.db2.gz VDWWQEOBDYQIRS-DOTOQJQBSA-N 2 2 346.500 2.452 10 0 EEAELP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001412027622 1205628328 /nfs/dbraw/zinc/62/83/28/1205628328.db2.gz BUBJJJYSLSEQEB-IBGZPJMESA-N 2 2 347.503 2.460 10 0 EEAELP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001412027622 1205628329 /nfs/dbraw/zinc/62/83/29/1205628329.db2.gz BUBJJJYSLSEQEB-IBGZPJMESA-N 2 2 347.503 2.460 10 0 EEAELP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001276083986 1205767638 /nfs/dbraw/zinc/76/76/38/1205767638.db2.gz JFHWEUPFXBTJTQ-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@]2([NH+](C)C)CCSC2)n(C)n1 ZINC000925214535 1206084229 /nfs/dbraw/zinc/08/42/29/1206084229.db2.gz KMQKFFALFXAFFH-CGTJXYLNSA-N 2 2 336.549 2.467 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000925544627 1206125728 /nfs/dbraw/zinc/12/57/28/1206125728.db2.gz BVDUXQJQMLHDCJ-MJGOQNOKSA-N 2 2 328.504 2.071 10 0 EEAELP CC1(C)[C@@H]([NH2+]Cc2ccncc2OC[C@@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925672488 1206142513 /nfs/dbraw/zinc/14/25/13/1206142513.db2.gz JGLIDDJEEFHVMV-JZGRTCEGSA-N 2 2 345.487 2.363 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000925950677 1206173473 /nfs/dbraw/zinc/17/34/73/1206173473.db2.gz CCBGDWDCVDPPDB-LDDOYCOJSA-N 2 2 346.475 2.025 10 0 EEAELP [NH3+][C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[C@H]1C(F)(F)F ZINC000926043264 1206185225 /nfs/dbraw/zinc/18/52/25/1206185225.db2.gz UMGZBGNLEHMIMV-MNOVXSKESA-N 2 2 327.310 2.078 10 0 EEAELP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931510984 1207401963 /nfs/dbraw/zinc/40/19/63/1207401963.db2.gz ADLCNORAIUEERM-OAHLLOKOSA-N 2 2 327.428 2.079 10 0 EEAELP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931510984 1207401964 /nfs/dbraw/zinc/40/19/64/1207401964.db2.gz ADLCNORAIUEERM-OAHLLOKOSA-N 2 2 327.428 2.079 10 0 EEAELP Nc1cc[nH+]c2c1C[N@H+](C[C@@H]1CCN(C(=O)c3ccccc3)C1)CC2 ZINC000931517014 1207403437 /nfs/dbraw/zinc/40/34/37/1207403437.db2.gz CTCLPFARPASXBS-HNNXBMFYSA-N 2 2 336.439 2.184 10 0 EEAELP Nc1cc[nH+]c2c1C[N@@H+](C[C@@H]1CCN(C(=O)c3ccccc3)C1)CC2 ZINC000931517014 1207403441 /nfs/dbraw/zinc/40/34/41/1207403441.db2.gz CTCLPFARPASXBS-HNNXBMFYSA-N 2 2 336.439 2.184 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001691742679 1214918677 /nfs/dbraw/zinc/91/86/77/1214918677.db2.gz GKSUKXGJVUPXGJ-GASCZTMLSA-N 2 2 332.473 2.131 10 0 EEAELP CCc1c(Cl)ncnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000827813216 1248792301 /nfs/dbraw/zinc/79/23/01/1248792301.db2.gz OPPUPECGRYOWNH-YIONKMFJSA-N 2 2 349.910 2.440 10 0 EEAELP CCc1c(Cl)ncnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000827813216 1248792309 /nfs/dbraw/zinc/79/23/09/1248792309.db2.gz OPPUPECGRYOWNH-YIONKMFJSA-N 2 2 349.910 2.440 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000119063164 1229444585 /nfs/dbraw/zinc/44/45/85/1229444585.db2.gz AOYBHCQGVCSTPW-JCYILVPMSA-N 2 2 333.480 2.178 10 0 EEAELP C/C(=C\C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000900216247 1234097837 /nfs/dbraw/zinc/09/78/37/1234097837.db2.gz SUHHORUWRURHDP-ODECOBMASA-N 2 2 337.508 2.036 10 0 EEAELP C/C(=C\C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000900216247 1234097843 /nfs/dbraw/zinc/09/78/43/1234097843.db2.gz SUHHORUWRURHDP-ODECOBMASA-N 2 2 337.508 2.036 10 0 EEAELP CCCn1cc([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)nn1 ZINC000902921048 1239096467 /nfs/dbraw/zinc/09/64/67/1239096467.db2.gz OYOJFXHEUQDWHP-GOEBONIOSA-N 2 2 343.479 2.397 10 0 EEAELP Brc1cnc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)nc1 ZINC000903566204 1240960252 /nfs/dbraw/zinc/96/02/52/1240960252.db2.gz LJCHNQAUAZRCRU-YPMHNXCESA-N 2 2 325.254 2.376 10 0 EEAELP Brc1cnc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)nc1 ZINC000903566204 1240960256 /nfs/dbraw/zinc/96/02/56/1240960256.db2.gz LJCHNQAUAZRCRU-YPMHNXCESA-N 2 2 325.254 2.376 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC001491456433 1259101509 /nfs/dbraw/zinc/10/15/09/1259101509.db2.gz MXSQVYKWCOMGPC-GOEBONIOSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC001491456433 1259101510 /nfs/dbraw/zinc/10/15/10/1259101510.db2.gz MXSQVYKWCOMGPC-GOEBONIOSA-N 2 2 348.491 2.232 10 0 EEAELP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)Cc1[nH]c[nH+]c1C ZINC001273726478 1284213482 /nfs/dbraw/zinc/21/34/82/1284213482.db2.gz DBBRCDWBGRPSOJ-UHFFFAOYSA-N 2 2 339.443 2.380 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001488762033 1290180259 /nfs/dbraw/zinc/18/02/59/1290180259.db2.gz RSQAISNAYGLTAN-SOUVJXGZSA-N 2 2 340.418 2.193 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCC(F)(F)C1 ZINC001490351175 1291174243 /nfs/dbraw/zinc/17/42/43/1291174243.db2.gz FJATYEILGLZPRK-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCC(F)(F)C1 ZINC001490351175 1291174250 /nfs/dbraw/zinc/17/42/50/1291174250.db2.gz FJATYEILGLZPRK-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CCCCCC[C@](O)(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)OC ZINC000851845424 1291882123 /nfs/dbraw/zinc/88/21/23/1291882123.db2.gz JHVXWXNQKLJNNA-YJBOKZPZSA-N 2 2 337.464 2.464 10 0 EEAELP CCCCCC[C@](O)(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)OC ZINC000851845424 1291882130 /nfs/dbraw/zinc/88/21/30/1291882130.db2.gz JHVXWXNQKLJNNA-YJBOKZPZSA-N 2 2 337.464 2.464 10 0 EEAELP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccn(C)n3)C2)ccn1 ZINC000856560949 1293567734 /nfs/dbraw/zinc/56/77/34/1293567734.db2.gz QMEOMAQMLPXIMH-LJQANCHMSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccn(C)n3)C2)ccn1 ZINC000856560949 1293567739 /nfs/dbraw/zinc/56/77/39/1293567739.db2.gz QMEOMAQMLPXIMH-LJQANCHMSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccn(C)n3)C2)ccn1 ZINC000856560949 1293567746 /nfs/dbraw/zinc/56/77/46/1293567746.db2.gz QMEOMAQMLPXIMH-LJQANCHMSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccn(C)n3)C2)ccn1 ZINC000856560949 1293567754 /nfs/dbraw/zinc/56/77/54/1293567754.db2.gz QMEOMAQMLPXIMH-LJQANCHMSA-N 2 2 343.475 2.309 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858023072 1293989325 /nfs/dbraw/zinc/98/93/25/1293989325.db2.gz GCSKHWIGVJENEG-RBUKOAKNSA-N 2 2 345.487 2.257 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858023072 1293989330 /nfs/dbraw/zinc/98/93/30/1293989330.db2.gz GCSKHWIGVJENEG-RBUKOAKNSA-N 2 2 345.487 2.257 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858023072 1293989337 /nfs/dbraw/zinc/98/93/37/1293989337.db2.gz GCSKHWIGVJENEG-RBUKOAKNSA-N 2 2 345.487 2.257 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1)C1CC1 ZINC000858023072 1293989339 /nfs/dbraw/zinc/98/93/39/1293989339.db2.gz GCSKHWIGVJENEG-RBUKOAKNSA-N 2 2 345.487 2.257 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cccc(F)c1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306241 1302297947 /nfs/dbraw/zinc/29/79/47/1302297947.db2.gz SGTRCRCEYWJKEW-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1C)C1C[NH+](CCCCc2ccccc2)C1 ZINC001277681247 1304173012 /nfs/dbraw/zinc/17/30/12/1304173012.db2.gz BAKUFFBRAPLMJA-UHFFFAOYSA-N 2 2 340.471 2.128 10 0 EEAELP COCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@@H]21 ZINC001278486720 1310605747 /nfs/dbraw/zinc/60/57/47/1310605747.db2.gz IYXHRIPRBMKYPZ-OKZBNKHCSA-N 2 2 345.487 2.484 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000842703855 1315757691 /nfs/dbraw/zinc/75/76/91/1315757691.db2.gz YRFQNZZRWGLUEV-LJQANCHMSA-N 2 2 326.444 2.487 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000842703855 1315757694 /nfs/dbraw/zinc/75/76/94/1315757694.db2.gz YRFQNZZRWGLUEV-LJQANCHMSA-N 2 2 326.444 2.487 10 0 EEAELP C[C@H]([NH2+]CCCc1ccsc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001279046433 1319079815 /nfs/dbraw/zinc/07/98/15/1319079815.db2.gz RBSTXQNDPXYQED-DOTOQJQBSA-N 2 2 346.500 2.404 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)[C@@H]1C)[NH+](C)C ZINC001264707786 1322789925 /nfs/dbraw/zinc/78/99/25/1322789925.db2.gz AOPHQPHWBDEKBJ-VHDGCEQUSA-N 2 2 338.883 2.154 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1C)[NH+](C)C ZINC001264707786 1322789930 /nfs/dbraw/zinc/78/99/30/1322789930.db2.gz AOPHQPHWBDEKBJ-VHDGCEQUSA-N 2 2 338.883 2.154 10 0 EEAELP Cc1cc(F)ccc1C[N@@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001265063587 1322902276 /nfs/dbraw/zinc/90/22/76/1322902276.db2.gz KUSDFSKECQEACM-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP Cc1cc(F)ccc1C[N@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001265063587 1322902279 /nfs/dbraw/zinc/90/22/79/1322902279.db2.gz KUSDFSKECQEACM-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)C[C@H]3CC[C@@H](C)O3)ccn12 ZINC001265846249 1323421163 /nfs/dbraw/zinc/42/11/63/1323421163.db2.gz YXIJUYMBGJZVEH-NVXWUHKLSA-N 2 2 344.459 2.262 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)C[C@H]3CC[C@@H](C)O3)ccn12 ZINC001265846249 1323421172 /nfs/dbraw/zinc/42/11/72/1323421172.db2.gz YXIJUYMBGJZVEH-NVXWUHKLSA-N 2 2 344.459 2.262 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001265910457 1323479440 /nfs/dbraw/zinc/47/94/40/1323479440.db2.gz CWHSYCZQODFAIT-IBGZPJMESA-N 2 2 340.471 2.474 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001265910457 1323479456 /nfs/dbraw/zinc/47/94/56/1323479456.db2.gz CWHSYCZQODFAIT-IBGZPJMESA-N 2 2 340.471 2.474 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265989991 1323548483 /nfs/dbraw/zinc/54/84/83/1323548483.db2.gz KTVBNXOVLRPDJJ-OPCNFVSTSA-N 2 2 330.476 2.240 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266001098 1323556559 /nfs/dbraw/zinc/55/65/59/1323556559.db2.gz IPRIAMFBGBCVFC-GFCCVEGCSA-N 2 2 331.247 2.030 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001266022922 1323574707 /nfs/dbraw/zinc/57/47/07/1323574707.db2.gz BQJAHTUABNRCCC-MPYGFJLXSA-N 2 2 338.455 2.494 10 0 EEAELP CC1CC(C[N@H+](CCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C2CC2)C1 ZINC001266145489 1323715105 /nfs/dbraw/zinc/71/51/05/1323715105.db2.gz VDDHBUOXGXYOCZ-JCYILVPMSA-N 2 2 344.503 2.462 10 0 EEAELP CC1CC(C[N@@H+](CCCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C2CC2)C1 ZINC001266145489 1323715110 /nfs/dbraw/zinc/71/51/10/1323715110.db2.gz VDDHBUOXGXYOCZ-JCYILVPMSA-N 2 2 344.503 2.462 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001280274330 1324138183 /nfs/dbraw/zinc/13/81/83/1324138183.db2.gz NQUVYNTVMIEZET-OAHLLOKOSA-N 2 2 346.500 2.393 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCOC2CCCCCC2)CCC1 ZINC001280508134 1324262574 /nfs/dbraw/zinc/26/25/74/1324262574.db2.gz SOCIJRJJUVIYHH-UHFFFAOYSA-N 2 2 348.491 2.320 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)CN(C(=O)CCC[NH+]1CCCC1)CCO2 ZINC001280922942 1324640141 /nfs/dbraw/zinc/64/01/41/1324640141.db2.gz ZCOUKYXKMDLJPA-ARJAWSKDSA-N 2 2 349.519 2.132 10 0 EEAELP Cc1ncsc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001283190574 1325950107 /nfs/dbraw/zinc/95/01/07/1325950107.db2.gz URJMZNYDJLWLIU-IACUBPJLSA-N 2 2 347.488 2.353 10 0 EEAELP Cc1ncsc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001283190574 1325950109 /nfs/dbraw/zinc/95/01/09/1325950109.db2.gz URJMZNYDJLWLIU-IACUBPJLSA-N 2 2 347.488 2.353 10 0 EEAELP CCCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001283506908 1326104120 /nfs/dbraw/zinc/10/41/20/1326104120.db2.gz JRYVUCDPSKPMJN-FUHWJXTLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001284632030 1326639838 /nfs/dbraw/zinc/63/98/38/1326639838.db2.gz QXXZWZCVSDUYSB-LJXRPBPOSA-N 2 2 326.872 2.461 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001284632030 1326639842 /nfs/dbraw/zinc/63/98/42/1326639842.db2.gz QXXZWZCVSDUYSB-LJXRPBPOSA-N 2 2 326.872 2.461 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001491837733 1330269997 /nfs/dbraw/zinc/26/99/97/1330269997.db2.gz LNCMHVZWRZGLMP-SFHVURJKSA-N 2 2 340.471 2.332 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCCCc2ccccc2)C1 ZINC001491858935 1330276723 /nfs/dbraw/zinc/27/67/23/1330276723.db2.gz MYNHUTVVSVTYII-IBGZPJMESA-N 2 2 340.471 2.344 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001316726535 1331842298 /nfs/dbraw/zinc/84/22/98/1331842298.db2.gz GGVNSLFJLOQOAM-ZIAGYGMSSA-N 2 2 346.397 2.300 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H]1CCC(F)(F)C1 ZINC001316829160 1331919311 /nfs/dbraw/zinc/91/93/11/1331919311.db2.gz OLALLMGUPZCDFR-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H]1CCC(F)(F)C1 ZINC001316829160 1331919313 /nfs/dbraw/zinc/91/93/13/1331919313.db2.gz OLALLMGUPZCDFR-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H]1CCC(F)(F)C1 ZINC001316829160 1331919317 /nfs/dbraw/zinc/91/93/17/1331919317.db2.gz OLALLMGUPZCDFR-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H]1CCC(F)(F)C1 ZINC001316829160 1331919319 /nfs/dbraw/zinc/91/93/19/1331919319.db2.gz OLALLMGUPZCDFR-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP CC(C)OCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001316882193 1331948913 /nfs/dbraw/zinc/94/89/13/1331948913.db2.gz YGSKHCMSCBXUBW-DLBZAZTESA-N 2 2 336.480 2.057 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1sc(C)nc1C ZINC001316905029 1331970499 /nfs/dbraw/zinc/97/04/99/1331970499.db2.gz OPFKRPHLWAIEHB-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1sc(C)nc1C ZINC001316905029 1331970500 /nfs/dbraw/zinc/97/05/00/1331970500.db2.gz OPFKRPHLWAIEHB-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP O=C(NCCC[N@H+](Cc1cscn1)C1CC1)C12CCC[NH+]1CCC2 ZINC001316922469 1331989574 /nfs/dbraw/zinc/98/95/74/1331989574.db2.gz QNOGFAFAWFVTOD-UHFFFAOYSA-N 2 2 348.516 2.242 10 0 EEAELP O=C(NCCC[N@@H+](Cc1cscn1)C1CC1)C12CCC[NH+]1CCC2 ZINC001316922469 1331989576 /nfs/dbraw/zinc/98/95/76/1331989576.db2.gz QNOGFAFAWFVTOD-UHFFFAOYSA-N 2 2 348.516 2.242 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001317335706 1332183760 /nfs/dbraw/zinc/18/37/60/1332183760.db2.gz FJSHAPSDFLPDMX-ZIAGYGMSSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC001317428463 1332232549 /nfs/dbraw/zinc/23/25/49/1332232549.db2.gz WDZNDHIAYMIWMK-INIZCTEOSA-N 2 2 347.488 2.291 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1Cc1cscn1 ZINC001317428463 1332232552 /nfs/dbraw/zinc/23/25/52/1332232552.db2.gz WDZNDHIAYMIWMK-INIZCTEOSA-N 2 2 347.488 2.291 10 0 EEAELP CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1cccc(Cl)n1 ZINC001317543883 1332291210 /nfs/dbraw/zinc/29/12/10/1332291210.db2.gz ZDOAZCWCSMKAJF-UHFFFAOYSA-N 2 2 349.866 2.268 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1cccc(Cl)n1 ZINC001317543883 1332291211 /nfs/dbraw/zinc/29/12/11/1332291211.db2.gz ZDOAZCWCSMKAJF-UHFFFAOYSA-N 2 2 349.866 2.268 10 0 EEAELP CCc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001317606733 1332322712 /nfs/dbraw/zinc/32/27/12/1332322712.db2.gz UKHHLXHUNCBMNA-SFHVURJKSA-N 2 2 340.471 2.256 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001318895665 1332619580 /nfs/dbraw/zinc/61/95/80/1332619580.db2.gz PIFBRROPMCZDNP-SFHVURJKSA-N 2 2 344.503 2.464 10 0 EEAELP COCCCC[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319085210 1332647114 /nfs/dbraw/zinc/64/71/14/1332647114.db2.gz MHHAZBZLLGESKM-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCc1c(F)cccc1F ZINC001319119328 1332652460 /nfs/dbraw/zinc/65/24/60/1332652460.db2.gz PSNZSSMSQJCDJW-CYBMUJFWSA-N 2 2 348.397 2.054 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319560649 1332721512 /nfs/dbraw/zinc/72/15/12/1332721512.db2.gz NCUXIGLDPNQELQ-CQSZACIVSA-N 2 2 348.878 2.295 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)CCc1[nH+]ccn1C)c1ccccc1 ZINC001321170278 1333036576 /nfs/dbraw/zinc/03/65/76/1333036576.db2.gz UKROYFYJGBUUJV-MWWKQMNYSA-N 2 2 326.444 2.376 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001321559444 1333124024 /nfs/dbraw/zinc/12/40/24/1333124024.db2.gz DXLCCSLTULUFLF-AEFFLSMTSA-N 2 2 340.471 2.091 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001324249715 1333642550 /nfs/dbraw/zinc/64/25/50/1333642550.db2.gz APFGLIJNDZLMKM-INIZCTEOSA-N 2 2 346.862 2.429 10 0 EEAELP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001324661112 1333733424 /nfs/dbraw/zinc/73/34/24/1333733424.db2.gz KYUZDXZNHHTBBD-YOEHRIQHSA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001324661112 1333733426 /nfs/dbraw/zinc/73/34/26/1333733426.db2.gz KYUZDXZNHHTBBD-YOEHRIQHSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@@]1(C[NH2+]CCCc2ccccc2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001324840973 1333771212 /nfs/dbraw/zinc/77/12/12/1333771212.db2.gz TYQKSKDXVSABKE-FQEVSTJZSA-N 2 2 340.471 2.344 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001326287498 1334060003 /nfs/dbraw/zinc/06/00/03/1334060003.db2.gz LLKLSWJLRBEYHS-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001326287498 1334060005 /nfs/dbraw/zinc/06/00/05/1334060005.db2.gz LLKLSWJLRBEYHS-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001326303436 1334063728 /nfs/dbraw/zinc/06/37/28/1334063728.db2.gz MAIOTOXIJBHORL-LOTPUWNPSA-N 2 2 336.867 2.026 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001328255030 1334427207 /nfs/dbraw/zinc/42/72/07/1334427207.db2.gz GXSKQQFHNCBWDC-NVXWUHKLSA-N 2 2 349.475 2.028 10 0 EEAELP COCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001328255030 1334427208 /nfs/dbraw/zinc/42/72/08/1334427208.db2.gz GXSKQQFHNCBWDC-NVXWUHKLSA-N 2 2 349.475 2.028 10 0 EEAELP CCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001330208719 1334804347 /nfs/dbraw/zinc/80/43/47/1334804347.db2.gz GFIJGSSSATXXLR-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP CCCCC[N@H+]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001330208719 1334804349 /nfs/dbraw/zinc/80/43/49/1334804349.db2.gz GFIJGSSSATXXLR-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(CC[NH+]1CCCCC1)NCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001333457179 1336051471 /nfs/dbraw/zinc/05/14/71/1336051471.db2.gz HQGNCLKAZSAROA-UHFFFAOYSA-N 2 2 348.516 2.267 10 0 EEAELP O=C(CC[NH+]1CCCCC1)NCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001333457179 1336051473 /nfs/dbraw/zinc/05/14/73/1336051473.db2.gz HQGNCLKAZSAROA-UHFFFAOYSA-N 2 2 348.516 2.267 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CCc1nnc(C(F)F)o1 ZINC001351784519 1337848738 /nfs/dbraw/zinc/84/87/38/1337848738.db2.gz XTQZEEAVWSSGBR-UHFFFAOYSA-N 2 2 348.313 2.468 10 0 EEAELP C[C@]1(C[NH2+]Cc2ccsc2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001500352004 1342177648 /nfs/dbraw/zinc/17/76/48/1342177648.db2.gz LQZDEIUHUSMALN-QGZVFWFLSA-N 2 2 332.473 2.432 10 0 EEAELP C[C@]1(C[NH2+]Cc2ccsc2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001500352004 1342177651 /nfs/dbraw/zinc/17/76/51/1342177651.db2.gz LQZDEIUHUSMALN-QGZVFWFLSA-N 2 2 332.473 2.432 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001502720634 1342226830 /nfs/dbraw/zinc/22/68/30/1342226830.db2.gz HUXWUNYIPPZWGU-YOEHRIQHSA-N 2 2 346.500 2.473 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001502720634 1342226832 /nfs/dbraw/zinc/22/68/32/1342226832.db2.gz HUXWUNYIPPZWGU-YOEHRIQHSA-N 2 2 346.500 2.473 10 0 EEAELP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567731492 1342826303 /nfs/dbraw/zinc/82/63/03/1342826303.db2.gz NLQFJZLJNBNRPH-SJORKVTESA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567731492 1342826307 /nfs/dbraw/zinc/82/63/07/1342826307.db2.gz NLQFJZLJNBNRPH-SJORKVTESA-N 2 2 332.492 2.416 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001571327599 1343182570 /nfs/dbraw/zinc/18/25/70/1343182570.db2.gz SWZCIAKEUKNKAK-OAHLLOKOSA-N 2 2 332.423 2.405 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001571544299 1343233836 /nfs/dbraw/zinc/23/38/36/1343233836.db2.gz LYFYVPZKDCENGI-SJORKVTESA-N 2 2 326.444 2.069 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001677051318 1357271209 /nfs/dbraw/zinc/27/12/09/1357271209.db2.gz BGGWCXFJOHBAOS-UONOGXRCSA-N 2 2 346.397 2.156 10 0 EEAELP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc([Si](C)(C)C)cc3)CC2)C1 ZINC001653724669 1354131462 /nfs/dbraw/zinc/13/14/62/1354131462.db2.gz LCELAOYVBYASLJ-LJQANCHMSA-N 2 2 345.607 2.444 10 0 EEAELP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc([Si](C)(C)C)cc3)CC2)C1 ZINC001653724669 1354131472 /nfs/dbraw/zinc/13/14/72/1354131472.db2.gz LCELAOYVBYASLJ-LJQANCHMSA-N 2 2 345.607 2.444 10 0 EEAELP C[C@@H](CC(=O)NCCC[N@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001660316596 1354437971 /nfs/dbraw/zinc/43/79/71/1354437971.db2.gz CQALKSBBGGNFDS-AWEZNQCLSA-N 2 2 333.411 2.007 10 0 EEAELP C[C@@H](CC(=O)NCCC[N@@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001660316596 1354437972 /nfs/dbraw/zinc/43/79/72/1354437972.db2.gz CQALKSBBGGNFDS-AWEZNQCLSA-N 2 2 333.411 2.007 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001661473307 1354643232 /nfs/dbraw/zinc/64/32/32/1354643232.db2.gz FCCQTTZLTYMFAA-QBPKDAKJSA-N 2 2 330.476 2.341 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001661976623 1354732044 /nfs/dbraw/zinc/73/20/44/1354732044.db2.gz FBRJSFYEFMLMOW-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001661976623 1354732045 /nfs/dbraw/zinc/73/20/45/1354732045.db2.gz FBRJSFYEFMLMOW-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001661976623 1354732047 /nfs/dbraw/zinc/73/20/47/1354732047.db2.gz FBRJSFYEFMLMOW-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001661976623 1354732049 /nfs/dbraw/zinc/73/20/49/1354732049.db2.gz FBRJSFYEFMLMOW-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP C[C@](C[NH2+]CCc1ccccc1F)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001666044786 1355431074 /nfs/dbraw/zinc/43/10/74/1355431074.db2.gz TUUOVYSNGRAPGL-LJQANCHMSA-N 2 2 344.434 2.139 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001666223253 1355488507 /nfs/dbraw/zinc/48/85/07/1355488507.db2.gz FUYXNMFAHXHDGD-GOSISDBHSA-N 2 2 344.503 2.464 10 0 EEAELP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)CCc1c[nH+]cn1C ZINC001670327482 1356320909 /nfs/dbraw/zinc/32/09/09/1356320909.db2.gz BVGAGPPAGFITHE-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP COCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001671297819 1356327559 /nfs/dbraw/zinc/32/75/59/1356327559.db2.gz GTPWXVXTZPBAHW-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP C[C@H]([NH2+]CCCCCF)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001698934359 1405171904 /nfs/dbraw/zinc/17/19/04/1405171904.db2.gz IRRSSHSCESKJHK-HOTGVXAUSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001699116362 1405271315 /nfs/dbraw/zinc/27/13/15/1405271315.db2.gz XCWSIZZPCRRRHI-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001699119245 1405274560 /nfs/dbraw/zinc/27/45/60/1405274560.db2.gz LTVWJCCACKMQEK-HNNXBMFYSA-N 2 2 346.450 2.485 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001699294488 1405324989 /nfs/dbraw/zinc/32/49/89/1405324989.db2.gz AIHGZYFUQMWNIT-VTXNWLCDSA-N 2 2 334.464 2.036 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC001699294488 1405325000 /nfs/dbraw/zinc/32/50/00/1405325000.db2.gz AIHGZYFUQMWNIT-VTXNWLCDSA-N 2 2 334.464 2.036 10 0 EEAELP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000920603502 770774970 /nfs/dbraw/zinc/77/49/70/770774970.db2.gz GRIKXSXCKUSBFX-ZJPYXAASSA-N 2 2 348.535 2.280 10 0 EEAELP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000912808857 788377713 /nfs/dbraw/zinc/37/77/13/788377713.db2.gz BDTYTOIJTFIDME-MAUKXSAKSA-N 2 2 341.459 2.460 10 0 EEAELP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1)c1ccccc1 ZINC001436977487 1088673867 /nfs/dbraw/zinc/67/38/67/1088673867.db2.gz MDJDXCCMAOKIDY-UXLLHSPISA-N 2 2 344.484 2.183 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001437062099 1088970903 /nfs/dbraw/zinc/97/09/03/1088970903.db2.gz ZIRYCZNDWNABQX-OCCSQVGLSA-N 2 2 347.488 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC001437062099 1088970919 /nfs/dbraw/zinc/97/09/19/1088970919.db2.gz ZIRYCZNDWNABQX-OCCSQVGLSA-N 2 2 347.488 2.134 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)CC1CCC2(CC2)CC1 ZINC001437637377 1090153625 /nfs/dbraw/zinc/15/36/25/1090153625.db2.gz GQQDATFXYVNGGZ-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)CC1CCC2(CC2)CC1 ZINC001437637377 1090153630 /nfs/dbraw/zinc/15/36/30/1090153630.db2.gz GQQDATFXYVNGGZ-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001437642482 1090161972 /nfs/dbraw/zinc/16/19/72/1090161972.db2.gz LZVINIGTKRXWEN-IXDOHACOSA-N 2 2 332.492 2.227 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001437642482 1090161977 /nfs/dbraw/zinc/16/19/77/1090161977.db2.gz LZVINIGTKRXWEN-IXDOHACOSA-N 2 2 332.492 2.227 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)Cc1cnc(C)o1 ZINC001437647861 1090169866 /nfs/dbraw/zinc/16/98/66/1090169866.db2.gz DODJNRKMJCOFGF-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)Cc1cnc(C)o1 ZINC001437647861 1090169869 /nfs/dbraw/zinc/16/98/69/1090169869.db2.gz DODJNRKMJCOFGF-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001437922186 1090510918 /nfs/dbraw/zinc/51/09/18/1090510918.db2.gz YHVJDNHOAPAXHK-RHSMWYFYSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[N@H+]1CC[C@@H](CCNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001437922186 1090510922 /nfs/dbraw/zinc/51/09/22/1090510922.db2.gz YHVJDNHOAPAXHK-RHSMWYFYSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[NH+]1CC[C@@H](CCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001437922186 1090510926 /nfs/dbraw/zinc/51/09/26/1090510926.db2.gz YHVJDNHOAPAXHK-RHSMWYFYSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[NH+]1CC[C@@H](CCNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001437922186 1090510933 /nfs/dbraw/zinc/51/09/33/1090510933.db2.gz YHVJDNHOAPAXHK-RHSMWYFYSA-N 2 2 333.480 2.027 10 0 EEAELP C[C@@H](CC(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1)n1cc[nH+]c1 ZINC001438138672 1090661315 /nfs/dbraw/zinc/66/13/15/1090661315.db2.gz DBAXYLLPFJGKFB-HNNXBMFYSA-N 2 2 330.476 2.463 10 0 EEAELP CC(C)CCC[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001438574324 1091061116 /nfs/dbraw/zinc/06/11/16/1091061116.db2.gz GJVDKVIPECVOSB-SJORKVTESA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)CCC[N@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001438574324 1091061123 /nfs/dbraw/zinc/06/11/23/1091061123.db2.gz GJVDKVIPECVOSB-SJORKVTESA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)CCC[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001438574319 1091062016 /nfs/dbraw/zinc/06/20/16/1091062016.db2.gz GJVDKVIPECVOSB-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)CCC[N@H+]1CCO[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001438574319 1091062020 /nfs/dbraw/zinc/06/20/20/1091062020.db2.gz GJVDKVIPECVOSB-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)CCn1cc[nH+]c1 ZINC001439137436 1091780407 /nfs/dbraw/zinc/78/04/07/1091780407.db2.gz IYGJMFGBMWNASK-ZIAGYGMSSA-N 2 2 328.407 2.193 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001445992847 1091966559 /nfs/dbraw/zinc/96/65/59/1091966559.db2.gz QMGMFFZHBXQMTG-SCLBCKFNSA-N 2 2 344.434 2.412 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]Cc1ccc(F)cc1)C1CC1 ZINC001445992847 1091966562 /nfs/dbraw/zinc/96/65/62/1091966562.db2.gz QMGMFFZHBXQMTG-SCLBCKFNSA-N 2 2 344.434 2.412 10 0 EEAELP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001446220629 1092317622 /nfs/dbraw/zinc/31/76/22/1092317622.db2.gz WEBKLCARDMRSDE-OAHLLOKOSA-N 2 2 330.476 2.120 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC001446277118 1092427481 /nfs/dbraw/zinc/42/74/81/1092427481.db2.gz NYKMQCMMWJIQGS-UHFFFAOYSA-N 2 2 339.842 2.313 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCC2)sn1 ZINC001439567437 1092450402 /nfs/dbraw/zinc/45/04/02/1092450402.db2.gz AYIAOCFSKMJDLZ-HNNXBMFYSA-N 2 2 336.505 2.018 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H]2CNC(=O)CCC[NH+]2CCCC2)sn1 ZINC001439567437 1092450406 /nfs/dbraw/zinc/45/04/06/1092450406.db2.gz AYIAOCFSKMJDLZ-HNNXBMFYSA-N 2 2 336.505 2.018 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1)[NH+](C)C ZINC001439740239 1092699313 /nfs/dbraw/zinc/69/93/13/1092699313.db2.gz CABPPZFQNUVVFV-HXUWFJFHSA-N 2 2 343.515 2.404 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)C[N@H+](C)C(C)C)C2)c1 ZINC001439758589 1092716309 /nfs/dbraw/zinc/71/63/09/1092716309.db2.gz PGNRNHXEUSRSDT-OAHLLOKOSA-N 2 2 333.476 2.239 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC(N(C)C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001439758589 1092716315 /nfs/dbraw/zinc/71/63/15/1092716315.db2.gz PGNRNHXEUSRSDT-OAHLLOKOSA-N 2 2 333.476 2.239 10 0 EEAELP CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001439976323 1093095917 /nfs/dbraw/zinc/09/59/17/1093095917.db2.gz SJDVPGLDBDPIRH-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001439976323 1093095928 /nfs/dbraw/zinc/09/59/28/1093095928.db2.gz SJDVPGLDBDPIRH-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001439976323 1093095937 /nfs/dbraw/zinc/09/59/37/1093095937.db2.gz SJDVPGLDBDPIRH-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001439976323 1093095943 /nfs/dbraw/zinc/09/59/43/1093095943.db2.gz SJDVPGLDBDPIRH-STQMWFEESA-N 2 2 328.407 2.072 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001440321700 1093461318 /nfs/dbraw/zinc/46/13/18/1093461318.db2.gz QYBGVCKVMLXXCF-WOVMCDHWSA-N 2 2 344.503 2.417 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cs1 ZINC001440399614 1093583327 /nfs/dbraw/zinc/58/33/27/1093583327.db2.gz ISHLBYMUCZYISL-DZGCQCFKSA-N 2 2 332.473 2.397 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001440409382 1093600687 /nfs/dbraw/zinc/60/06/87/1093600687.db2.gz HDCQVKKAILNSJA-ZWKOTPCHSA-N 2 2 340.471 2.427 10 0 EEAELP C[N@H+](CCC[C@H]1CCOC1)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001440739191 1093988005 /nfs/dbraw/zinc/98/80/05/1093988005.db2.gz UGBGSAXCBFMTBI-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP C[N@@H+](CCC[C@H]1CCOC1)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001440739191 1093988007 /nfs/dbraw/zinc/98/80/07/1093988007.db2.gz UGBGSAXCBFMTBI-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cc(F)ccc1Cl ZINC001440832972 1094085287 /nfs/dbraw/zinc/08/52/87/1094085287.db2.gz KIEUJUTVUSQMLN-QWRGUYRKSA-N 2 2 338.814 2.428 10 0 EEAELP Cc1ncoc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001441040408 1094334195 /nfs/dbraw/zinc/33/41/95/1094334195.db2.gz VLSQKMJEEWAYMC-WMLDXEAASA-N 2 2 336.480 2.040 10 0 EEAELP Cc1ncoc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001441040408 1094334200 /nfs/dbraw/zinc/33/42/00/1094334200.db2.gz VLSQKMJEEWAYMC-WMLDXEAASA-N 2 2 336.480 2.040 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCCC2)o1 ZINC001441111155 1094426384 /nfs/dbraw/zinc/42/63/84/1094426384.db2.gz YRSAYPJEVULHQA-UHFFFAOYSA-N 2 2 345.447 2.166 10 0 EEAELP CCC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001441226649 1094599688 /nfs/dbraw/zinc/59/96/88/1094599688.db2.gz MGTUQVSPBMQRHS-IEBWSBKVSA-N 2 2 348.491 2.184 10 0 EEAELP CCC[N@H+]1CCO[C@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001441226649 1094599701 /nfs/dbraw/zinc/59/97/01/1094599701.db2.gz MGTUQVSPBMQRHS-IEBWSBKVSA-N 2 2 348.491 2.184 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nocc1C ZINC001441514903 1095208596 /nfs/dbraw/zinc/20/85/96/1095208596.db2.gz WKOJVNNARBLSBS-HUUCEWRRSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]Cc2cccc(F)c2)c[nH+]1 ZINC001441849574 1095935312 /nfs/dbraw/zinc/93/53/12/1095935312.db2.gz AZEGRYWAHHSROR-ZDUSSCGKSA-N 2 2 332.423 2.360 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001441861278 1095964750 /nfs/dbraw/zinc/96/47/50/1095964750.db2.gz CXFXFLKRJGCBLZ-DOTOQJQBSA-N 2 2 326.444 2.048 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]CC=C(Cl)Cl)c[nH+]1 ZINC001441870314 1095983419 /nfs/dbraw/zinc/98/34/19/1095983419.db2.gz SBCLQJUBTKCOHF-JTQLQIEISA-N 2 2 333.263 2.340 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1C ZINC001441882850 1096011911 /nfs/dbraw/zinc/01/19/11/1096011911.db2.gz VXEPJOVMKWWJLI-WMZOPIPTSA-N 2 2 340.471 2.357 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1 ZINC001441889640 1096025016 /nfs/dbraw/zinc/02/50/16/1096025016.db2.gz ZFFWSPLGDYWDIG-QCHXHNHZSA-N 2 2 336.867 2.230 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)oc1C ZINC001442006906 1096210989 /nfs/dbraw/zinc/21/09/89/1096210989.db2.gz YOAICACCLGEMLE-CZUORRHYSA-N 2 2 336.480 2.149 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)oc1C ZINC001442006906 1096210994 /nfs/dbraw/zinc/21/09/94/1096210994.db2.gz YOAICACCLGEMLE-CZUORRHYSA-N 2 2 336.480 2.149 10 0 EEAELP CC(C)N(CC[N@H+](C)CCc1cccs1)C(=O)Cc1[nH]cc[nH+]1 ZINC001442115176 1096346389 /nfs/dbraw/zinc/34/63/89/1096346389.db2.gz IOHJWBUPBVIOIP-UHFFFAOYSA-N 2 2 334.489 2.425 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCc1cccs1)C(=O)Cc1[nH]cc[nH+]1 ZINC001442115176 1096346395 /nfs/dbraw/zinc/34/63/95/1096346395.db2.gz IOHJWBUPBVIOIP-UHFFFAOYSA-N 2 2 334.489 2.425 10 0 EEAELP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001442258908 1096560902 /nfs/dbraw/zinc/56/09/02/1096560902.db2.gz XUFSBBPGDFRTDD-IUDNXUCKSA-N 2 2 345.447 2.164 10 0 EEAELP CCc1cnc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)o1 ZINC001442260881 1096562885 /nfs/dbraw/zinc/56/28/85/1096562885.db2.gz YMZOIPRPKHYAFG-CYBMUJFWSA-N 2 2 347.463 2.162 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KHLGBAIFCJLDLD-MRXNPFEDSA-N 2 2 328.460 2.184 10 0 EEAELP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001499269088 1112209945 /nfs/dbraw/zinc/20/99/45/1112209945.db2.gz OGXSTXLMJVTWCK-AWFCHZOYSA-N 2 2 330.476 2.430 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001499905757 1112536067 /nfs/dbraw/zinc/53/60/67/1112536067.db2.gz XWTSYPWVIKBXLN-YPZLONQISA-N 2 2 330.476 2.382 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C2CCCC2)C1 ZINC001500116361 1112624892 /nfs/dbraw/zinc/62/48/92/1112624892.db2.gz DNVUSARFYAEZJW-HZPDHXFCSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@]1(C[NH2+]Cc2cncs2)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001500406009 1112808224 /nfs/dbraw/zinc/80/82/24/1112808224.db2.gz FAAIUYLGOLBZKY-QGZVFWFLSA-N 2 2 347.488 2.148 10 0 EEAELP CC(C)OCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001501698998 1113440530 /nfs/dbraw/zinc/44/05/30/1113440530.db2.gz WICNDWVKAZCTID-QBPKDAKJSA-N 2 2 348.491 2.203 10 0 EEAELP CC(C)OCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001501698998 1113440534 /nfs/dbraw/zinc/44/05/34/1113440534.db2.gz WICNDWVKAZCTID-QBPKDAKJSA-N 2 2 348.491 2.203 10 0 EEAELP Cc1ncc(C[N@@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)C2)s1 ZINC001506743657 1114855237 /nfs/dbraw/zinc/85/52/37/1114855237.db2.gz JISRVDUKIDMRLQ-OAHLLOKOSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1ncc(C[N@H+]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)C2)s1 ZINC001506743657 1114855240 /nfs/dbraw/zinc/85/52/40/1114855240.db2.gz JISRVDUKIDMRLQ-OAHLLOKOSA-N 2 2 347.488 2.065 10 0 EEAELP CC1(C)C[N@H+](CCC(F)(F)F)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001506745637 1114858591 /nfs/dbraw/zinc/85/85/91/1114858591.db2.gz WKWMZLCBLCVZHJ-GFCCVEGCSA-N 2 2 332.370 2.052 10 0 EEAELP CC1(C)C[N@@H+](CCC(F)(F)F)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001506745637 1114858592 /nfs/dbraw/zinc/85/85/92/1114858592.db2.gz WKWMZLCBLCVZHJ-GFCCVEGCSA-N 2 2 332.370 2.052 10 0 EEAELP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cs1 ZINC001506947373 1114995479 /nfs/dbraw/zinc/99/54/79/1114995479.db2.gz XKMSHSVFQNZSGZ-NSHDSACASA-N 2 2 335.477 2.100 10 0 EEAELP COCCC[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001507812416 1115350781 /nfs/dbraw/zinc/35/07/81/1115350781.db2.gz FUTGISNUIJGBLI-UHFFFAOYSA-N 2 2 332.448 2.382 10 0 EEAELP COCCC[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001507812416 1115350782 /nfs/dbraw/zinc/35/07/82/1115350782.db2.gz FUTGISNUIJGBLI-UHFFFAOYSA-N 2 2 332.448 2.382 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NCC1=CC[NH+](CCF)CC1)c1ccccc1 ZINC001508227614 1115453615 /nfs/dbraw/zinc/45/36/15/1115453615.db2.gz OPIFJRFSYRXDIW-SFHVURJKSA-N 2 2 333.451 2.397 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NCC1=CC[NH+](CCF)CC1)c1ccccc1 ZINC001508227614 1115453617 /nfs/dbraw/zinc/45/36/17/1115453617.db2.gz OPIFJRFSYRXDIW-SFHVURJKSA-N 2 2 333.451 2.397 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NCC1=CC[N@H+](CCF)CC1)c1ccccc1 ZINC001508227614 1115453619 /nfs/dbraw/zinc/45/36/19/1115453619.db2.gz OPIFJRFSYRXDIW-SFHVURJKSA-N 2 2 333.451 2.397 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NCC1=CC[N@@H+](CCF)CC1)c1ccccc1 ZINC001508227614 1115453621 /nfs/dbraw/zinc/45/36/21/1115453621.db2.gz OPIFJRFSYRXDIW-SFHVURJKSA-N 2 2 333.451 2.397 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H]1C[NH2+]CCCCCF ZINC001568141458 1124324454 /nfs/dbraw/zinc/32/44/54/1124324454.db2.gz QRXGNJRBUSWIFS-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001568283249 1124403547 /nfs/dbraw/zinc/40/35/47/1124403547.db2.gz ZWICBWSNQKWAFD-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC001568366466 1124439860 /nfs/dbraw/zinc/43/98/60/1124439860.db2.gz XVNKODZCQRHJMS-LPHOPBHVSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H]([NH2+]CCCF)[C@H](C)C3)[nH+]c12 ZINC001568365484 1124439975 /nfs/dbraw/zinc/43/99/75/1124439975.db2.gz MCVFVDBWLBIHLY-WBVHZDCISA-N 2 2 346.450 2.371 10 0 EEAELP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001568633866 1124648157 /nfs/dbraw/zinc/64/81/57/1124648157.db2.gz PAIGFSCUUGLREB-KBXCAEBGSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001568633866 1124648159 /nfs/dbraw/zinc/64/81/59/1124648159.db2.gz PAIGFSCUUGLREB-KBXCAEBGSA-N 2 2 347.507 2.465 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)o1 ZINC001568656388 1124670252 /nfs/dbraw/zinc/67/02/52/1124670252.db2.gz GCAOHMYOCVUJOO-GFCCVEGCSA-N 2 2 341.415 2.237 10 0 EEAELP Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]C[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001568891983 1124919341 /nfs/dbraw/zinc/91/93/41/1124919341.db2.gz PUYOJJKAEIARGO-OSJSJHBBSA-N 2 2 331.460 2.452 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001569021354 1125048037 /nfs/dbraw/zinc/04/80/37/1125048037.db2.gz VFAXISZBMYXNBM-CABCVRRESA-N 2 2 332.423 2.310 10 0 EEAELP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001569065820 1125075570 /nfs/dbraw/zinc/07/55/70/1125075570.db2.gz XKZAKVBVQOJDHR-DOTOQJQBSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H](C[NH2+]CCC3CC3)C3CC3)[nH+]c12 ZINC001569324274 1125230389 /nfs/dbraw/zinc/23/03/89/1125230389.db2.gz OTSBCJJWUGMJIP-GOSISDBHSA-N 2 2 340.471 2.470 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000174821959 529405954 /nfs/dbraw/zinc/40/59/54/529405954.db2.gz LHVMGBTXNPZRQS-IAGOWNOFSA-N 2 2 341.459 2.411 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000174821959 529405956 /nfs/dbraw/zinc/40/59/56/529405956.db2.gz LHVMGBTXNPZRQS-IAGOWNOFSA-N 2 2 341.459 2.411 10 0 EEAELP C[C@H](c1ccc(Cl)s1)[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508174 213326271 /nfs/dbraw/zinc/32/62/71/213326271.db2.gz HPIBGYXODHNLPK-VXGBXAGGSA-N 2 2 327.881 2.359 10 0 EEAELP C[C@H](c1ccc(Cl)s1)[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000040508174 213326274 /nfs/dbraw/zinc/32/62/74/213326274.db2.gz HPIBGYXODHNLPK-VXGBXAGGSA-N 2 2 327.881 2.359 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)[C@@H]2CCC[C@H]21 ZINC000453231048 283137954 /nfs/dbraw/zinc/13/79/54/283137954.db2.gz IDEBHFPJMBVBNA-BSWAZPDLSA-N 2 2 334.485 2.020 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)[C@@H]2CCC[C@H]21 ZINC000453231048 283137958 /nfs/dbraw/zinc/13/79/58/283137958.db2.gz IDEBHFPJMBVBNA-BSWAZPDLSA-N 2 2 334.485 2.020 10 0 EEAELP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826550 240248464 /nfs/dbraw/zinc/24/84/64/240248464.db2.gz CLUZIRAHOGFYDB-ZCNNSNEGSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(C[N@H+]2CCC[C@H](N[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826550 240248473 /nfs/dbraw/zinc/24/84/73/240248473.db2.gz CLUZIRAHOGFYDB-ZCNNSNEGSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(CN2CCC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826550 240248477 /nfs/dbraw/zinc/24/84/77/240248477.db2.gz CLUZIRAHOGFYDB-ZCNNSNEGSA-N 2 2 329.488 2.008 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@H](O)COCC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422971707 240314732 /nfs/dbraw/zinc/31/47/32/240314732.db2.gz JPCQFLUZWWGEGY-UHOSZYNNSA-N 2 2 336.476 2.111 10 0 EEAELP COc1cc(CC2C[NH+](Cc3c[nH+]c(N(C)C)n3C)C2)cc(OC)c1 ZINC000425368845 241141598 /nfs/dbraw/zinc/14/15/98/241141598.db2.gz KSJNEULDTHYYJY-UHFFFAOYSA-N 2 2 344.459 2.178 10 0 EEAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246703214 243298223 /nfs/dbraw/zinc/29/82/23/243298223.db2.gz SJFFMMIQUHQZOG-SJORKVTESA-N 2 2 333.480 2.322 10 0 EEAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246703214 243298226 /nfs/dbraw/zinc/29/82/26/243298226.db2.gz SJFFMMIQUHQZOG-SJORKVTESA-N 2 2 333.480 2.322 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000495083292 247063745 /nfs/dbraw/zinc/06/37/45/247063745.db2.gz YSGDHNQWKOGQBO-UHFFFAOYSA-N 2 2 341.297 2.490 10 0 EEAELP OCc1ccc(C[N@@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000092936654 218181294 /nfs/dbraw/zinc/18/12/94/218181294.db2.gz GTVUDNADLNEVIH-UHFFFAOYSA-N 2 2 326.400 2.361 10 0 EEAELP OCc1ccc(C[N@H+]2CCCN(c3[nH]c4ccccc4[nH+]3)CC2)o1 ZINC000092936654 218181296 /nfs/dbraw/zinc/18/12/96/218181296.db2.gz GTVUDNADLNEVIH-UHFFFAOYSA-N 2 2 326.400 2.361 10 0 EEAELP CC(=O)Nc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093148083 218198287 /nfs/dbraw/zinc/19/82/87/218198287.db2.gz PCQNFAGXRVTWEV-IBGZPJMESA-N 2 2 344.503 2.247 10 0 EEAELP CC(=O)Nc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000093148083 218198290 /nfs/dbraw/zinc/19/82/90/218198290.db2.gz PCQNFAGXRVTWEV-IBGZPJMESA-N 2 2 344.503 2.247 10 0 EEAELP Brc1csc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422894597 532980790 /nfs/dbraw/zinc/98/07/90/532980790.db2.gz CLUSSQMXEQHWRX-STQMWFEESA-N 2 2 331.279 2.367 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000378492128 285031003 /nfs/dbraw/zinc/03/10/03/285031003.db2.gz GGQJABYCGVRILU-QUCCMNQESA-N 2 2 345.487 2.180 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000378492128 285031004 /nfs/dbraw/zinc/03/10/04/285031004.db2.gz GGQJABYCGVRILU-QUCCMNQESA-N 2 2 345.487 2.180 10 0 EEAELP C[NH+]1CCC(CC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000273179648 256273728 /nfs/dbraw/zinc/27/37/28/256273728.db2.gz GJNSBGMGWIRIJX-UHFFFAOYSA-N 2 2 330.407 2.360 10 0 EEAELP CNC(=O)c1ccc([C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)n1C ZINC000328627079 258031829 /nfs/dbraw/zinc/03/18/29/258031829.db2.gz FUFBXXWORNIVMD-MRXNPFEDSA-N 2 2 329.448 2.199 10 0 EEAELP CNC(=O)c1ccc([C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)n1C ZINC000328627079 258031830 /nfs/dbraw/zinc/03/18/30/258031830.db2.gz FUFBXXWORNIVMD-MRXNPFEDSA-N 2 2 329.448 2.199 10 0 EEAELP Cc1ccc2c(CC[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn(C)c2c1 ZINC000423059490 292302915 /nfs/dbraw/zinc/30/29/15/292302915.db2.gz MBVAYTRFNTUDLE-VQTJNVASSA-N 2 2 327.472 2.386 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000093147119 159230591 /nfs/dbraw/zinc/23/05/91/159230591.db2.gz DGECWESJJUAPQU-KRWDZBQOSA-N 2 2 331.460 2.017 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000093147119 159230594 /nfs/dbraw/zinc/23/05/94/159230594.db2.gz DGECWESJJUAPQU-KRWDZBQOSA-N 2 2 331.460 2.017 10 0 EEAELP COc1ccccc1OCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109751875 159352624 /nfs/dbraw/zinc/35/26/24/159352624.db2.gz ZTFWFKLOJFZYQV-SFHVURJKSA-N 2 2 347.503 2.176 10 0 EEAELP COc1ccccc1OCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109751875 159352625 /nfs/dbraw/zinc/35/26/25/159352625.db2.gz ZTFWFKLOJFZYQV-SFHVURJKSA-N 2 2 347.503 2.176 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000119119442 159371230 /nfs/dbraw/zinc/37/12/30/159371230.db2.gz BVMKFACRUHOMPQ-JKSUJKDBSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000119119442 159371232 /nfs/dbraw/zinc/37/12/32/159371232.db2.gz BVMKFACRUHOMPQ-JKSUJKDBSA-N 2 2 333.480 2.165 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186465267 160071455 /nfs/dbraw/zinc/07/14/55/160071455.db2.gz LWISUNSRTRVBQY-QGZVFWFLSA-N 2 2 345.491 2.178 10 0 EEAELP C[NH+]1CCC(CCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000186530319 160073434 /nfs/dbraw/zinc/07/34/34/160073434.db2.gz GZGVTYHUCAWZHA-UHFFFAOYSA-N 2 2 345.491 2.035 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000245617826 160244831 /nfs/dbraw/zinc/24/48/31/160244831.db2.gz MMWQETGDOZLOLL-HZPDHXFCSA-N 2 2 347.850 2.281 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000245617826 160244834 /nfs/dbraw/zinc/24/48/34/160244834.db2.gz MMWQETGDOZLOLL-HZPDHXFCSA-N 2 2 347.850 2.281 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000246249453 160270070 /nfs/dbraw/zinc/27/00/70/160270070.db2.gz JCVQNZRBVSXJON-VQIMIIECSA-N 2 2 338.455 2.351 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000246249453 160270072 /nfs/dbraw/zinc/27/00/72/160270072.db2.gz JCVQNZRBVSXJON-VQIMIIECSA-N 2 2 338.455 2.351 10 0 EEAELP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341881641 161020900 /nfs/dbraw/zinc/02/09/00/161020900.db2.gz JCQJJUYOEDJAMW-RTBURBONSA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341881641 161020901 /nfs/dbraw/zinc/02/09/01/161020901.db2.gz JCQJJUYOEDJAMW-RTBURBONSA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341881641 161020902 /nfs/dbraw/zinc/02/09/02/161020902.db2.gz JCQJJUYOEDJAMW-RTBURBONSA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341881641 161020903 /nfs/dbraw/zinc/02/09/03/161020903.db2.gz JCQJJUYOEDJAMW-RTBURBONSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555847 161146282 /nfs/dbraw/zinc/14/62/82/161146282.db2.gz FZXRXSYGZJHFRY-PZJWPPBQSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555847 161146283 /nfs/dbraw/zinc/14/62/83/161146283.db2.gz FZXRXSYGZJHFRY-PZJWPPBQSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344041539 161192756 /nfs/dbraw/zinc/19/27/56/161192756.db2.gz WEZWPAPHRKAKJV-CQSZACIVSA-N 2 2 325.501 2.243 10 0 EEAELP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344041539 161192757 /nfs/dbraw/zinc/19/27/57/161192757.db2.gz WEZWPAPHRKAKJV-CQSZACIVSA-N 2 2 325.501 2.243 10 0 EEAELP c1cn(-c2csc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2)c[nH+]1 ZINC000346131369 161359964 /nfs/dbraw/zinc/35/99/64/161359964.db2.gz AXIKDPWWQOFONZ-UHFFFAOYSA-N 3 2 346.500 2.478 10 0 EEAELP Fc1cnc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)nc1 ZINC000355520478 163219787 /nfs/dbraw/zinc/21/97/87/163219787.db2.gz XRSIBWWBXRZZLL-UHFFFAOYSA-N 2 2 344.419 2.185 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[NH+](C)CC2)cc1 ZINC000364052905 165011673 /nfs/dbraw/zinc/01/16/73/165011673.db2.gz FHCLIQFPBJVGKN-CQSZACIVSA-N 2 2 327.432 2.199 10 0 EEAELP Cc1ccncc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000279795577 269306687 /nfs/dbraw/zinc/30/66/87/269306687.db2.gz DDUKIEKGLPAHRI-UHFFFAOYSA-N 2 2 341.455 2.391 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)C2)C1 ZINC000292187566 275390409 /nfs/dbraw/zinc/39/04/09/275390409.db2.gz RAMIVENIZJBBFB-HXUWFJFHSA-N 2 2 342.487 2.253 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)C2)C1 ZINC000292187566 275390412 /nfs/dbraw/zinc/39/04/12/275390412.db2.gz RAMIVENIZJBBFB-HXUWFJFHSA-N 2 2 342.487 2.253 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)Nc3ccc(N4CCCC4)cc3)C2)C1 ZINC000292187566 275390413 /nfs/dbraw/zinc/39/04/13/275390413.db2.gz RAMIVENIZJBBFB-HXUWFJFHSA-N 2 2 342.487 2.253 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3ccc(N4CCCC4)cc3)C2)C1 ZINC000292187566 275390415 /nfs/dbraw/zinc/39/04/15/275390415.db2.gz RAMIVENIZJBBFB-HXUWFJFHSA-N 2 2 342.487 2.253 10 0 EEAELP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000330124661 311725869 /nfs/dbraw/zinc/72/58/69/311725869.db2.gz IDHWEUDMAJJNDR-FUHWJXTLSA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)S(C)(=O)=O ZINC000414518284 313036191 /nfs/dbraw/zinc/03/61/91/313036191.db2.gz UNPCSVWPZBQIDT-UHFFFAOYSA-N 2 2 327.475 2.237 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CCC[NH2+]3)c2C)cc1 ZINC000414848115 313103016 /nfs/dbraw/zinc/10/30/16/313103016.db2.gz PMZKMEKTWAICML-KRWDZBQOSA-N 2 2 328.460 2.398 10 0 EEAELP C[NH2+]Cc1ccccc1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000415912671 313203623 /nfs/dbraw/zinc/20/36/23/313203623.db2.gz MKHACIJGTYSDGU-QGZVFWFLSA-N 2 2 346.475 2.125 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000435001086 314878294 /nfs/dbraw/zinc/87/82/94/314878294.db2.gz RIPRQLHAPGMHTQ-MRXNPFEDSA-N 2 2 345.443 2.428 10 0 EEAELP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1 ZINC000458371203 315701964 /nfs/dbraw/zinc/70/19/64/315701964.db2.gz LSGAMOAOOBLBIN-OAHLLOKOSA-N 2 2 343.475 2.391 10 0 EEAELP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCCO1 ZINC000527753931 317256104 /nfs/dbraw/zinc/25/61/04/317256104.db2.gz BSHJFUDSAZKSRV-ZWKOTPCHSA-N 2 2 338.879 2.434 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000528009118 317302486 /nfs/dbraw/zinc/30/24/86/317302486.db2.gz GOOXLGYDLJUSTE-RDTXWAMCSA-N 2 2 326.448 2.330 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000528009118 317302487 /nfs/dbraw/zinc/30/24/87/317302487.db2.gz GOOXLGYDLJUSTE-RDTXWAMCSA-N 2 2 326.448 2.330 10 0 EEAELP C[C@@H](c1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000565784898 319214266 /nfs/dbraw/zinc/21/42/66/319214266.db2.gz WLXQRLSPWKPVQA-HNNXBMFYSA-N 2 2 331.460 2.360 10 0 EEAELP C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000565828741 319218504 /nfs/dbraw/zinc/21/85/04/319218504.db2.gz FUCQGAQTGFQGCS-JQFCIGGWSA-N 2 2 326.868 2.462 10 0 EEAELP C[C@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000565828741 319218506 /nfs/dbraw/zinc/21/85/06/319218506.db2.gz FUCQGAQTGFQGCS-JQFCIGGWSA-N 2 2 326.868 2.462 10 0 EEAELP COc1cc(OC)cc(N2CC[C@H](C[NH2+]Cc3c[nH+]c(C)n3C)C2)c1 ZINC000574221004 320006385 /nfs/dbraw/zinc/00/63/85/320006385.db2.gz UDPMDSUINCKCNM-OAHLLOKOSA-N 2 2 344.459 2.362 10 0 EEAELP O=C(NCC1CC[NH2+]CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574787562 320058070 /nfs/dbraw/zinc/05/80/70/320058070.db2.gz XDQBITVVUFPWPU-MRXNPFEDSA-N 2 2 345.491 2.108 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580323976 324040977 /nfs/dbraw/zinc/04/09/77/324040977.db2.gz RUMDJWNHCGJRSA-HOCLYGCPSA-N 2 2 327.831 2.470 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580323976 324040980 /nfs/dbraw/zinc/04/09/80/324040980.db2.gz RUMDJWNHCGJRSA-HOCLYGCPSA-N 2 2 327.831 2.470 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582003415 324359438 /nfs/dbraw/zinc/35/94/38/324359438.db2.gz IXLOBUHGEIZWFJ-FTRWYGJKSA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582003415 324359442 /nfs/dbraw/zinc/35/94/42/324359442.db2.gz IXLOBUHGEIZWFJ-FTRWYGJKSA-N 2 2 345.487 2.336 10 0 EEAELP O=C(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)Nc1cccnc1 ZINC000582037583 324364303 /nfs/dbraw/zinc/36/43/03/324364303.db2.gz RPSGPFBCZXNQOS-UHFFFAOYSA-N 2 2 325.416 2.064 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[NH+](C3CCC3)CC2)[nH+]1 ZINC000351520709 465200499 /nfs/dbraw/zinc/20/04/99/465200499.db2.gz SKRNFRWZSRKSCZ-UHFFFAOYSA-N 2 2 332.492 2.224 10 0 EEAELP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000351626786 465257795 /nfs/dbraw/zinc/25/77/95/465257795.db2.gz HEDWBICHCOLSNA-CQSZACIVSA-N 2 2 333.480 2.019 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129920 468300999 /nfs/dbraw/zinc/30/09/99/468300999.db2.gz LWALSANERYTQKI-APHBMKBZSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129920 468301003 /nfs/dbraw/zinc/30/10/03/468301003.db2.gz LWALSANERYTQKI-APHBMKBZSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535129920 468301005 /nfs/dbraw/zinc/30/10/05/468301005.db2.gz LWALSANERYTQKI-APHBMKBZSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535129920 468301008 /nfs/dbraw/zinc/30/10/08/468301008.db2.gz LWALSANERYTQKI-APHBMKBZSA-N 2 2 339.842 2.292 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129776468 462724622 /nfs/dbraw/zinc/72/46/22/462724622.db2.gz GOXJSQVBUZMGAZ-HOCLYGCPSA-N 2 2 336.798 2.237 10 0 EEAELP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133123661 462901111 /nfs/dbraw/zinc/90/11/11/462901111.db2.gz URHFLPNPDGSGNF-BZUAXINKSA-N 2 2 325.403 2.166 10 0 EEAELP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133123661 462901116 /nfs/dbraw/zinc/90/11/16/462901116.db2.gz URHFLPNPDGSGNF-BZUAXINKSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000156634656 463051061 /nfs/dbraw/zinc/05/10/61/463051061.db2.gz LZZJVHINZDZOEZ-QGZVFWFLSA-N 2 2 345.491 2.032 10 0 EEAELP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000156634656 463051068 /nfs/dbraw/zinc/05/10/68/463051068.db2.gz LZZJVHINZDZOEZ-QGZVFWFLSA-N 2 2 345.491 2.032 10 0 EEAELP Cc1cnccc1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000121745686 463187935 /nfs/dbraw/zinc/18/79/35/463187935.db2.gz QUKOTHWQZQCPKS-SJPCQFCGSA-N 2 2 343.475 2.165 10 0 EEAELP Cc1cnccc1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121745686 463187937 /nfs/dbraw/zinc/18/79/37/463187937.db2.gz QUKOTHWQZQCPKS-SJPCQFCGSA-N 2 2 343.475 2.165 10 0 EEAELP CCN(CCO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579352723 468346296 /nfs/dbraw/zinc/34/62/96/468346296.db2.gz JARQNACTOLCASO-LJQANCHMSA-N 2 2 331.504 2.087 10 0 EEAELP CCN(CCO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579352723 468346297 /nfs/dbraw/zinc/34/62/97/468346297.db2.gz JARQNACTOLCASO-LJQANCHMSA-N 2 2 331.504 2.087 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000069619820 463288565 /nfs/dbraw/zinc/28/85/65/463288565.db2.gz FAFATJSJGFGTIR-IBGZPJMESA-N 2 2 345.487 2.075 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000069619820 463288567 /nfs/dbraw/zinc/28/85/67/463288567.db2.gz FAFATJSJGFGTIR-IBGZPJMESA-N 2 2 345.487 2.075 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000123675580 463360786 /nfs/dbraw/zinc/36/07/86/463360786.db2.gz DOJICUUUJVKKLG-MRXNPFEDSA-N 2 2 347.484 2.149 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000123675580 463360788 /nfs/dbraw/zinc/36/07/88/463360788.db2.gz DOJICUUUJVKKLG-MRXNPFEDSA-N 2 2 347.484 2.149 10 0 EEAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000105862420 463480314 /nfs/dbraw/zinc/48/03/14/463480314.db2.gz FHNKOVOITRPFRD-KRWDZBQOSA-N 3 2 342.487 2.397 10 0 EEAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000105862420 463480316 /nfs/dbraw/zinc/48/03/16/463480316.db2.gz FHNKOVOITRPFRD-KRWDZBQOSA-N 3 2 342.487 2.397 10 0 EEAELP CC[N@H+](CC(=O)N[C@H]1CCc2[nH+]ccn2C1)Cc1ccc(Cl)cc1 ZINC000072275519 463493771 /nfs/dbraw/zinc/49/37/71/463493771.db2.gz MOHZLDDRTDBFRW-INIZCTEOSA-N 2 2 346.862 2.490 10 0 EEAELP CC[N@@H+](CC(=O)N[C@H]1CCc2[nH+]ccn2C1)Cc1ccc(Cl)cc1 ZINC000072275519 463493773 /nfs/dbraw/zinc/49/37/73/463493773.db2.gz MOHZLDDRTDBFRW-INIZCTEOSA-N 2 2 346.862 2.490 10 0 EEAELP CCCNC(=O)C[NH+]1CCN(c2c(C)c[nH+]c3ccccc32)CC1 ZINC000072307782 463507961 /nfs/dbraw/zinc/50/79/61/463507961.db2.gz JIBXSGHJUUALSR-UHFFFAOYSA-N 2 2 326.444 2.191 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCc2sccc2C1 ZINC000083927580 463567567 /nfs/dbraw/zinc/56/75/67/463567567.db2.gz FFAFVCVNMOZYDP-KBPBESRZSA-N 2 2 344.484 2.385 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NCc1ccc(F)cc1 ZINC000084001097 463573123 /nfs/dbraw/zinc/57/31/23/463573123.db2.gz JTAHJPGCTNYSAB-UKRRQHHQSA-N 2 2 330.407 2.194 10 0 EEAELP C[C@H]1CCN(C(=O)NCCCC[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000152248378 463666713 /nfs/dbraw/zinc/66/67/13/463666713.db2.gz NWQGFINCRVZKQX-IRXDYDNUSA-N 2 2 333.480 2.352 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000568659780 468370565 /nfs/dbraw/zinc/37/05/65/468370565.db2.gz JSKGKWLMOPBPIX-NXOAAHMSSA-N 2 2 340.508 2.274 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000568659780 468370569 /nfs/dbraw/zinc/37/05/69/468370569.db2.gz JSKGKWLMOPBPIX-NXOAAHMSSA-N 2 2 340.508 2.274 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000568659780 468370572 /nfs/dbraw/zinc/37/05/72/468370572.db2.gz JSKGKWLMOPBPIX-NXOAAHMSSA-N 2 2 340.508 2.274 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000568659780 468370573 /nfs/dbraw/zinc/37/05/73/468370573.db2.gz JSKGKWLMOPBPIX-NXOAAHMSSA-N 2 2 340.508 2.274 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000268883917 463792960 /nfs/dbraw/zinc/79/29/60/463792960.db2.gz YNQMAQDLWOWRNI-NRSPTQNISA-N 3 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000268883917 463792966 /nfs/dbraw/zinc/79/29/66/463792966.db2.gz YNQMAQDLWOWRNI-NRSPTQNISA-N 3 2 345.531 2.333 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268923052 463809906 /nfs/dbraw/zinc/80/99/06/463809906.db2.gz XHKUBFQLYMRWNS-SBHAEUEKSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268923052 463809913 /nfs/dbraw/zinc/80/99/13/463809913.db2.gz XHKUBFQLYMRWNS-SBHAEUEKSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292274606 464181767 /nfs/dbraw/zinc/18/17/67/464181767.db2.gz ZZQCZEPWHMKPNT-YRNRMSPPSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292274606 464181774 /nfs/dbraw/zinc/18/17/74/464181774.db2.gz ZZQCZEPWHMKPNT-YRNRMSPPSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292274606 464181778 /nfs/dbraw/zinc/18/17/78/464181778.db2.gz ZZQCZEPWHMKPNT-YRNRMSPPSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292274606 464181783 /nfs/dbraw/zinc/18/17/83/464181783.db2.gz ZZQCZEPWHMKPNT-YRNRMSPPSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000173953302 464338170 /nfs/dbraw/zinc/33/81/70/464338170.db2.gz YXAXOCXMWNVHNB-DOTOQJQBSA-N 2 2 345.491 2.175 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174288901 464388182 /nfs/dbraw/zinc/38/81/82/464388182.db2.gz KKBZWPLMBCGILD-MRXNPFEDSA-N 2 2 333.480 2.166 10 0 EEAELP COC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182567834 464685313 /nfs/dbraw/zinc/68/53/13/464685313.db2.gz FBQFWIUHKRJUAC-RHSMWYFYSA-N 2 2 328.403 2.089 10 0 EEAELP Cn1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nnc1C1CC1 ZINC000182956659 464764569 /nfs/dbraw/zinc/76/45/69/464764569.db2.gz IMMIBAJHNIOMCV-UHFFFAOYSA-N 2 2 347.507 2.017 10 0 EEAELP Cc1nc(N2CCC[C@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000192268730 464897198 /nfs/dbraw/zinc/89/71/98/464897198.db2.gz BVDSYDXWCHLJDH-HNNXBMFYSA-N 2 2 334.464 2.417 10 0 EEAELP Cc1nc(N2CCC[C@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000192268730 464897203 /nfs/dbraw/zinc/89/72/03/464897203.db2.gz BVDSYDXWCHLJDH-HNNXBMFYSA-N 2 2 334.464 2.417 10 0 EEAELP COC(=O)c1oc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000597057636 468430306 /nfs/dbraw/zinc/43/03/06/468430306.db2.gz HKMPVMVIUZIBAA-HNNXBMFYSA-N 2 2 336.432 2.108 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348929056 465879648 /nfs/dbraw/zinc/87/96/48/465879648.db2.gz USHSDPJRUARUJI-FGTMMUONSA-N 2 2 345.487 2.001 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000348929056 465879654 /nfs/dbraw/zinc/87/96/54/465879654.db2.gz USHSDPJRUARUJI-FGTMMUONSA-N 2 2 345.487 2.001 10 0 EEAELP c1cc(-c2noc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)co1 ZINC000357253447 465891468 /nfs/dbraw/zinc/89/14/68/465891468.db2.gz HJHBEVLJFAHSKK-UHFFFAOYSA-N 2 2 346.431 2.264 10 0 EEAELP C[C@@H]1CC[C@@]2(CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)C1 ZINC000371596160 465893315 /nfs/dbraw/zinc/89/33/15/465893315.db2.gz KAIBCYJSTULDED-VQIMIIECSA-N 2 2 336.524 2.234 10 0 EEAELP Cc1nc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2c([nH+]1)CCCC2 ZINC000302030825 466082230 /nfs/dbraw/zinc/08/22/30/466082230.db2.gz BWGCXVWLRAKSJT-QGZVFWFLSA-N 2 2 343.519 2.270 10 0 EEAELP Cc1nc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2c([nH+]1)CCCC2 ZINC000302030825 466082238 /nfs/dbraw/zinc/08/22/38/466082238.db2.gz BWGCXVWLRAKSJT-QGZVFWFLSA-N 2 2 343.519 2.270 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000372263011 466257454 /nfs/dbraw/zinc/25/74/54/466257454.db2.gz YNHPEHLMDSBJHU-HOCLYGCPSA-N 2 2 347.850 2.318 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000372263011 466257455 /nfs/dbraw/zinc/25/74/55/466257455.db2.gz YNHPEHLMDSBJHU-HOCLYGCPSA-N 2 2 347.850 2.318 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000354336101 466484940 /nfs/dbraw/zinc/48/49/40/466484940.db2.gz VQPFDIAXVFGEME-INIZCTEOSA-N 2 2 349.866 2.121 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000354336101 466484949 /nfs/dbraw/zinc/48/49/49/466484949.db2.gz VQPFDIAXVFGEME-INIZCTEOSA-N 2 2 349.866 2.121 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000367707956 466507815 /nfs/dbraw/zinc/50/78/15/466507815.db2.gz PQUTVAAHFLTVLL-INIZCTEOSA-N 2 2 337.427 2.079 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000367707956 466507824 /nfs/dbraw/zinc/50/78/24/466507824.db2.gz PQUTVAAHFLTVLL-INIZCTEOSA-N 2 2 337.427 2.079 10 0 EEAELP COc1cc(C[NH2+]CCc2cn(C)c[nH+]2)cc(Br)c1O ZINC000313253569 466540289 /nfs/dbraw/zinc/54/02/89/466540289.db2.gz NLMARFFENSPWJK-UHFFFAOYSA-N 2 2 340.221 2.229 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)Cc1ccccc1 ZINC000347313888 466556867 /nfs/dbraw/zinc/55/68/67/466556867.db2.gz DPYXZFRLKHWOBR-FUHWJXTLSA-N 2 2 340.471 2.380 10 0 EEAELP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422927782 466688425 /nfs/dbraw/zinc/68/84/25/466688425.db2.gz HCOGEBCUNMNHMR-CVEARBPZSA-N 2 2 344.377 2.484 10 0 EEAELP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1S(C)(=O)=O ZINC000423239262 466702513 /nfs/dbraw/zinc/70/25/13/466702513.db2.gz JQWNSFWHUPUTKO-XJKSGUPXSA-N 2 2 348.468 2.449 10 0 EEAELP CN(C(=O)c1[nH]ccc1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967927 471238960 /nfs/dbraw/zinc/23/89/60/471238960.db2.gz CRCRGZQYYIQRCG-INIZCTEOSA-N 2 2 330.476 2.133 10 0 EEAELP CN(C(=O)c1[nH]ccc1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967927 471238961 /nfs/dbraw/zinc/23/89/61/471238961.db2.gz CRCRGZQYYIQRCG-INIZCTEOSA-N 2 2 330.476 2.133 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000417934599 466992325 /nfs/dbraw/zinc/99/23/25/466992325.db2.gz PUFPLSDJAPQUGB-KRWDZBQOSA-N 2 2 329.448 2.102 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417946696 466998900 /nfs/dbraw/zinc/99/89/00/466998900.db2.gz FQYJBMKGONXVCL-LYRGGWFBSA-N 2 2 340.418 2.137 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417946696 466998904 /nfs/dbraw/zinc/99/89/04/466998904.db2.gz FQYJBMKGONXVCL-LYRGGWFBSA-N 2 2 340.418 2.137 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417947423 466999039 /nfs/dbraw/zinc/99/90/39/466999039.db2.gz TWDVGZBKZFHEPC-ZIAGYGMSSA-N 2 2 342.846 2.261 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417947423 466999046 /nfs/dbraw/zinc/99/90/46/466999046.db2.gz TWDVGZBKZFHEPC-ZIAGYGMSSA-N 2 2 342.846 2.261 10 0 EEAELP CCC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417955312 467001585 /nfs/dbraw/zinc/00/15/85/467001585.db2.gz QYAZELLMCAPVQO-HZPDHXFCSA-N 2 2 340.418 2.009 10 0 EEAELP CCC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417955312 467001590 /nfs/dbraw/zinc/00/15/90/467001590.db2.gz QYAZELLMCAPVQO-HZPDHXFCSA-N 2 2 340.418 2.009 10 0 EEAELP Cc1cc([C@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)no1 ZINC000377817057 467145256 /nfs/dbraw/zinc/14/52/56/467145256.db2.gz OXKDBZMHIBEIHQ-HNNXBMFYSA-N 2 2 346.479 2.018 10 0 EEAELP Cc1cc([C@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)no1 ZINC000377817057 467145257 /nfs/dbraw/zinc/14/52/57/467145257.db2.gz OXKDBZMHIBEIHQ-HNNXBMFYSA-N 2 2 346.479 2.018 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2conc2C2CC2)([NH+]2CCCCC2)CC1 ZINC000377927934 467166505 /nfs/dbraw/zinc/16/65/05/467166505.db2.gz PWZILFLTIVVGAV-UHFFFAOYSA-N 2 2 346.475 2.232 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428551107 467245959 /nfs/dbraw/zinc/24/59/59/467245959.db2.gz SCXSENWGVAEDQQ-XJKCOSOUSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428551107 467245962 /nfs/dbraw/zinc/24/59/62/467245962.db2.gz SCXSENWGVAEDQQ-XJKCOSOUSA-N 2 2 341.293 2.140 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000378354564 467276276 /nfs/dbraw/zinc/27/62/76/467276276.db2.gz KAZFFMWTIYMPLZ-UHFFFAOYSA-N 2 2 337.431 2.141 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@H+]1CCn2c(nnc2-c2cccnc2)C1 ZINC000378354564 467276280 /nfs/dbraw/zinc/27/62/80/467276280.db2.gz KAZFFMWTIYMPLZ-UHFFFAOYSA-N 2 2 337.431 2.141 10 0 EEAELP CC1=C[C@@H](C)C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428938961 467282246 /nfs/dbraw/zinc/28/22/46/467282246.db2.gz KPFKAWDEULVTPD-WBVHZDCISA-N 2 2 328.460 2.017 10 0 EEAELP CC1=C[C@@H](C)C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428938961 467282249 /nfs/dbraw/zinc/28/22/49/467282249.db2.gz KPFKAWDEULVTPD-WBVHZDCISA-N 2 2 328.460 2.017 10 0 EEAELP C[NH+](C)C1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000429123021 467302851 /nfs/dbraw/zinc/30/28/51/467302851.db2.gz OEMRARFAQXWGFS-UHFFFAOYSA-N 2 2 341.459 2.215 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390136 467390530 /nfs/dbraw/zinc/39/05/30/467390530.db2.gz YAKWPUZMEUTHHP-FXAWDEMLSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420390136 467390534 /nfs/dbraw/zinc/39/05/34/467390534.db2.gz YAKWPUZMEUTHHP-FXAWDEMLSA-N 2 2 329.488 2.417 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000389110182 467399142 /nfs/dbraw/zinc/39/91/42/467399142.db2.gz AHTBEEHEGVJYSL-NSHDSACASA-N 2 2 327.222 2.362 10 0 EEAELP COCC[NH2+]CC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414882572 467444901 /nfs/dbraw/zinc/44/49/01/467444901.db2.gz LPLFSIFRWFMDDF-LLVKDONJSA-N 2 2 333.245 2.345 10 0 EEAELP COCC[NH+](CCOC)C1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449320845 467631053 /nfs/dbraw/zinc/63/10/53/467631053.db2.gz KEPNCMAQMBRWRV-UHFFFAOYSA-N 2 2 347.459 2.387 10 0 EEAELP O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000449432883 467644402 /nfs/dbraw/zinc/64/44/02/467644402.db2.gz JRYZZUJCHCMAQY-UHOSZYNNSA-N 2 2 327.428 2.234 10 0 EEAELP O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000449432883 467644409 /nfs/dbraw/zinc/64/44/09/467644409.db2.gz JRYZZUJCHCMAQY-UHOSZYNNSA-N 2 2 327.428 2.234 10 0 EEAELP CC(C)[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCC(C)CC1 ZINC000457699069 467681829 /nfs/dbraw/zinc/68/18/29/467681829.db2.gz ZPWCZJJSFMHORL-QGZVFWFLSA-N 2 2 335.496 2.018 10 0 EEAELP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000458253677 467797674 /nfs/dbraw/zinc/79/76/74/467797674.db2.gz OICRIXKUBMFEGS-GFCCVEGCSA-N 2 2 347.385 2.071 10 0 EEAELP Cc1nn(C)cc1C[N@H+](C)[C@H]1CCC[NH+](Cc2cn(C)nc2C)CC1 ZINC000450612962 467879626 /nfs/dbraw/zinc/87/96/26/467879626.db2.gz LOOMKYZBHQIJHO-IBGZPJMESA-N 2 2 344.507 2.257 10 0 EEAELP Cc1nn(C)cc1C[N@@H+](C)[C@H]1CCC[NH+](Cc2cn(C)nc2C)CC1 ZINC000450612962 467879629 /nfs/dbraw/zinc/87/96/29/467879629.db2.gz LOOMKYZBHQIJHO-IBGZPJMESA-N 2 2 344.507 2.257 10 0 EEAELP Cc1nn(C)cc1C[NH+](C)[C@H]1CCC[N@H+](Cc2cn(C)nc2C)CC1 ZINC000450612962 467879633 /nfs/dbraw/zinc/87/96/33/467879633.db2.gz LOOMKYZBHQIJHO-IBGZPJMESA-N 2 2 344.507 2.257 10 0 EEAELP Cc1nn(C)cc1C[NH+](C)[C@H]1CCC[N@@H+](Cc2cn(C)nc2C)CC1 ZINC000450612962 467879634 /nfs/dbraw/zinc/87/96/34/467879634.db2.gz LOOMKYZBHQIJHO-IBGZPJMESA-N 2 2 344.507 2.257 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000519013782 468135967 /nfs/dbraw/zinc/13/59/67/468135967.db2.gz CXXIQBBPZLIOOA-NVXWUHKLSA-N 2 2 337.414 2.168 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000519013782 468135971 /nfs/dbraw/zinc/13/59/71/468135971.db2.gz CXXIQBBPZLIOOA-NVXWUHKLSA-N 2 2 337.414 2.168 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000594505871 468611509 /nfs/dbraw/zinc/61/15/09/468611509.db2.gz DEUHAVWQBNRDGU-MJGOQNOKSA-N 2 2 346.471 2.287 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCC2 ZINC000594505871 468611512 /nfs/dbraw/zinc/61/15/12/468611512.db2.gz DEUHAVWQBNRDGU-MJGOQNOKSA-N 2 2 346.471 2.287 10 0 EEAELP O=C(NCC[C@@H]1CCC[NH2+]C1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000557113458 468612714 /nfs/dbraw/zinc/61/27/14/468612714.db2.gz FJJBSVREHQNRRR-LBPRGKRZSA-N 2 2 335.839 2.177 10 0 EEAELP COc1cncc(/C=C\CC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000582902885 468613734 /nfs/dbraw/zinc/61/37/34/468613734.db2.gz XHNRZIHBTZXMQF-HYXAFXHYSA-N 2 2 339.443 2.414 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000594616522 468637755 /nfs/dbraw/zinc/63/77/55/468637755.db2.gz VUEJAWYQVASZGL-QGZVFWFLSA-N 2 2 338.492 2.485 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571523760 468800853 /nfs/dbraw/zinc/80/08/53/468800853.db2.gz VQGHNQBJPKKBKA-KOZAUXTDSA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571523760 468800857 /nfs/dbraw/zinc/80/08/57/468800857.db2.gz VQGHNQBJPKKBKA-KOZAUXTDSA-N 2 2 339.842 2.468 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COCc1ccc(Cl)cc1 ZINC000584346750 468850843 /nfs/dbraw/zinc/85/08/43/468850843.db2.gz ABGQRHVWTINWKO-LSDHHAIUSA-N 2 2 335.835 2.088 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COCc1ccc(Cl)cc1 ZINC000584346750 468850849 /nfs/dbraw/zinc/85/08/49/468850849.db2.gz ABGQRHVWTINWKO-LSDHHAIUSA-N 2 2 335.835 2.088 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000562603620 469003376 /nfs/dbraw/zinc/00/33/76/469003376.db2.gz XBAPDULZCMHPCM-LEUOFYLZSA-N 2 2 336.501 2.205 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000562603620 469003383 /nfs/dbraw/zinc/00/33/83/469003383.db2.gz XBAPDULZCMHPCM-LEUOFYLZSA-N 2 2 336.501 2.205 10 0 EEAELP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCc4c[nH+]cn4C3)cccc21 ZINC000563202714 469197278 /nfs/dbraw/zinc/19/72/78/469197278.db2.gz ALMWWOQRGIBHEF-GUYCJALGSA-N 2 2 340.427 2.469 10 0 EEAELP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573786445 469206161 /nfs/dbraw/zinc/20/61/61/469206161.db2.gz JPDFIBHRKOYXDJ-GJZGRUSLSA-N 2 2 342.846 2.215 10 0 EEAELP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573786445 469206167 /nfs/dbraw/zinc/20/61/67/469206167.db2.gz JPDFIBHRKOYXDJ-GJZGRUSLSA-N 2 2 342.846 2.215 10 0 EEAELP CN(Cc1c[nH+]c[nH]1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000622746028 469466296 /nfs/dbraw/zinc/46/62/96/469466296.db2.gz DYYANCJFASTVRI-UHFFFAOYSA-N 2 2 332.314 2.200 10 0 EEAELP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000618986362 469489327 /nfs/dbraw/zinc/48/93/27/469489327.db2.gz ZHIXWEWKMJIPHL-HNNXBMFYSA-N 2 2 327.432 2.118 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000626074779 469494132 /nfs/dbraw/zinc/49/41/32/469494132.db2.gz MPTHMHLHRBCWHG-KRWDZBQOSA-N 2 2 342.487 2.006 10 0 EEAELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ncc(Br)cc1F ZINC000629519350 469571096 /nfs/dbraw/zinc/57/10/96/469571096.db2.gz FZMICCWDQMXHHV-SECBINFHSA-N 2 2 332.217 2.142 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613273852 469675583 /nfs/dbraw/zinc/67/55/83/469675583.db2.gz YGQJZMXCNVZGBR-ZBFHGGJFSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613273852 469675586 /nfs/dbraw/zinc/67/55/86/469675586.db2.gz YGQJZMXCNVZGBR-ZBFHGGJFSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613273852 469675589 /nfs/dbraw/zinc/67/55/89/469675589.db2.gz YGQJZMXCNVZGBR-ZBFHGGJFSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613273852 469675593 /nfs/dbraw/zinc/67/55/93/469675593.db2.gz YGQJZMXCNVZGBR-ZBFHGGJFSA-N 2 2 326.444 2.151 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000617551774 469722170 /nfs/dbraw/zinc/72/21/70/469722170.db2.gz ZEMQZYJUEFNRPO-VXGBXAGGSA-N 2 2 332.370 2.009 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@@H+](C)C1 ZINC000617551774 469722175 /nfs/dbraw/zinc/72/21/75/469722175.db2.gz ZEMQZYJUEFNRPO-VXGBXAGGSA-N 2 2 332.370 2.009 10 0 EEAELP Cc1nc(-c2ccco2)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767111 469797270 /nfs/dbraw/zinc/79/72/70/469797270.db2.gz HIZJAAKMRBIHAC-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP Cc1nc(-c2ccco2)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767111 469797273 /nfs/dbraw/zinc/79/72/73/469797273.db2.gz HIZJAAKMRBIHAC-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP C[C@H](OC1CCCCCC1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765714 469797376 /nfs/dbraw/zinc/79/73/76/469797376.db2.gz NBVVRTHFRPEWPB-INIZCTEOSA-N 2 2 327.513 2.114 10 0 EEAELP C[C@H](OC1CCCCCC1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765714 469797380 /nfs/dbraw/zinc/79/73/80/469797380.db2.gz NBVVRTHFRPEWPB-INIZCTEOSA-N 2 2 327.513 2.114 10 0 EEAELP C[C@H](CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000617766021 469797768 /nfs/dbraw/zinc/79/77/68/469797768.db2.gz ZIICRMVPYFJVJC-CQSZACIVSA-N 2 2 341.446 2.458 10 0 EEAELP C[C@H](CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC000617766021 469797770 /nfs/dbraw/zinc/79/77/70/469797770.db2.gz ZIICRMVPYFJVJC-CQSZACIVSA-N 2 2 341.446 2.458 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000608648146 469853144 /nfs/dbraw/zinc/85/31/44/469853144.db2.gz NVWFAQZUOANOLV-SJORKVTESA-N 2 2 341.459 2.097 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000608648146 469853146 /nfs/dbraw/zinc/85/31/46/469853146.db2.gz NVWFAQZUOANOLV-SJORKVTESA-N 2 2 341.459 2.097 10 0 EEAELP CC(C)[N@@H+]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630911537 470025963 /nfs/dbraw/zinc/02/59/63/470025963.db2.gz GGEHAJKLNOAVEL-UHFFFAOYSA-N 2 2 326.444 2.358 10 0 EEAELP CC(C)[N@H+]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630911537 470025965 /nfs/dbraw/zinc/02/59/65/470025965.db2.gz GGEHAJKLNOAVEL-UHFFFAOYSA-N 2 2 326.444 2.358 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)c1ccccc1)CC2 ZINC000624880895 470037629 /nfs/dbraw/zinc/03/76/29/470037629.db2.gz KNENVEDVXBDGFJ-INIZCTEOSA-N 2 2 326.444 2.349 10 0 EEAELP Cc1nc(NCc2cccc(C[NH+]3CCCCCC3)c2)nc(N)[nH+]1 ZINC000631084074 470065089 /nfs/dbraw/zinc/06/50/89/470065089.db2.gz RBVIIJTWKDZRMZ-UHFFFAOYSA-N 2 2 326.448 2.172 10 0 EEAELP Cc1nc(N)nc(NCc2cccc(C[NH+]3CCCCCC3)c2)[nH+]1 ZINC000631084074 470065092 /nfs/dbraw/zinc/06/50/92/470065092.db2.gz RBVIIJTWKDZRMZ-UHFFFAOYSA-N 2 2 326.448 2.172 10 0 EEAELP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631091937 470066188 /nfs/dbraw/zinc/06/61/88/470066188.db2.gz SGDVLTUJXCBPTD-RBUKOAKNSA-N 2 2 332.492 2.151 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000631469920 470148301 /nfs/dbraw/zinc/14/83/01/470148301.db2.gz VJPQQGZLYSTPLK-MAUKXSAKSA-N 2 2 326.444 2.356 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000631469920 470148304 /nfs/dbraw/zinc/14/83/04/470148304.db2.gz VJPQQGZLYSTPLK-MAUKXSAKSA-N 2 2 326.444 2.356 10 0 EEAELP CC[NH+](CC)[C@H]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631556889 470172127 /nfs/dbraw/zinc/17/21/27/470172127.db2.gz DDCCLRXXHZDZDT-SFHVURJKSA-N 2 2 326.444 2.358 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634685999 470279894 /nfs/dbraw/zinc/27/98/94/470279894.db2.gz ZLAXYWDEJGSFCR-RBUKOAKNSA-N 2 2 331.504 2.350 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634685999 470279895 /nfs/dbraw/zinc/27/98/95/470279895.db2.gz ZLAXYWDEJGSFCR-RBUKOAKNSA-N 2 2 331.504 2.350 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634702690 470282106 /nfs/dbraw/zinc/28/21/06/470282106.db2.gz KJIJLWWTQGWOBP-KGLIPLIRSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634702690 470282108 /nfs/dbraw/zinc/28/21/08/470282108.db2.gz KJIJLWWTQGWOBP-KGLIPLIRSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000633254823 470400662 /nfs/dbraw/zinc/40/06/62/470400662.db2.gz XOLXHWYZFWAVHH-HXUWFJFHSA-N 2 2 338.455 2.359 10 0 EEAELP C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000633254823 470400667 /nfs/dbraw/zinc/40/06/67/470400667.db2.gz XOLXHWYZFWAVHH-HXUWFJFHSA-N 2 2 338.455 2.359 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900397 471011074 /nfs/dbraw/zinc/01/10/74/471011074.db2.gz ANQWQZDRGWDMHP-KYJSFNMBSA-N 2 2 333.451 2.294 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900397 471011076 /nfs/dbraw/zinc/01/10/76/471011076.db2.gz ANQWQZDRGWDMHP-KYJSFNMBSA-N 2 2 333.451 2.294 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900699 471011137 /nfs/dbraw/zinc/01/11/37/471011137.db2.gz FIARHAOBCBYNNO-HDMKZQKVSA-N 2 2 331.460 2.486 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900699 471011139 /nfs/dbraw/zinc/01/11/39/471011139.db2.gz FIARHAOBCBYNNO-HDMKZQKVSA-N 2 2 331.460 2.486 10 0 EEAELP C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651111324 471053433 /nfs/dbraw/zinc/05/34/33/471053433.db2.gz AZIUYUOBWLYMHR-INIZCTEOSA-N 2 2 332.492 2.390 10 0 EEAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651111324 471053441 /nfs/dbraw/zinc/05/34/41/471053441.db2.gz AZIUYUOBWLYMHR-INIZCTEOSA-N 2 2 332.492 2.390 10 0 EEAELP Cc1ncc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)n1-c1ccccc1 ZINC000648071797 471075608 /nfs/dbraw/zinc/07/56/08/471075608.db2.gz UNZWWAPMXNFGNQ-UHFFFAOYSA-N 2 2 340.471 2.477 10 0 EEAELP Cc1ncc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)n1-c1ccccc1 ZINC000648071797 471075613 /nfs/dbraw/zinc/07/56/13/471075613.db2.gz UNZWWAPMXNFGNQ-UHFFFAOYSA-N 2 2 340.471 2.477 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3C3CCCC3)CC2)CC1 ZINC000651207326 471090011 /nfs/dbraw/zinc/09/00/11/471090011.db2.gz NXCYNFSNQAZGBM-RTBURBONSA-N 2 2 333.520 2.488 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162071 471104881 /nfs/dbraw/zinc/10/48/81/471104881.db2.gz GFFPEBVTCFPSRN-NFWSPEMXSA-N 2 2 337.826 2.091 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162071 471104883 /nfs/dbraw/zinc/10/48/83/471104883.db2.gz GFFPEBVTCFPSRN-NFWSPEMXSA-N 2 2 337.826 2.091 10 0 EEAELP Cc1[nH]c(CN[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000657367606 471115466 /nfs/dbraw/zinc/11/54/66/471115466.db2.gz REFVLKVPMXFNKE-IBGZPJMESA-N 2 2 328.460 2.143 10 0 EEAELP Cc1[nH]c(CN[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000657367606 471115472 /nfs/dbraw/zinc/11/54/72/471115472.db2.gz REFVLKVPMXFNKE-IBGZPJMESA-N 2 2 328.460 2.143 10 0 EEAELP COc1nsc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1Br ZINC000638588803 471154256 /nfs/dbraw/zinc/15/42/56/471154256.db2.gz NYKVHPBFDXQUON-SECBINFHSA-N 2 2 334.283 2.346 10 0 EEAELP COc1nsc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1Br ZINC000638588803 471154259 /nfs/dbraw/zinc/15/42/59/471154259.db2.gz NYKVHPBFDXQUON-SECBINFHSA-N 2 2 334.283 2.346 10 0 EEAELP CCc1cccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000652033444 471210826 /nfs/dbraw/zinc/21/08/26/471210826.db2.gz SUJSUBGQZDLWKC-UHFFFAOYSA-N 2 2 331.504 2.135 10 0 EEAELP CCc1cccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000652033444 471210828 /nfs/dbraw/zinc/21/08/28/471210828.db2.gz SUJSUBGQZDLWKC-UHFFFAOYSA-N 2 2 331.504 2.135 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000657800566 471235374 /nfs/dbraw/zinc/23/53/74/471235374.db2.gz HJAHPDLUAKRMQE-SFHVURJKSA-N 2 2 349.482 2.469 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000657800566 471235377 /nfs/dbraw/zinc/23/53/77/471235377.db2.gz HJAHPDLUAKRMQE-SFHVURJKSA-N 2 2 349.482 2.469 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000655054991 471258405 /nfs/dbraw/zinc/25/84/05/471258405.db2.gz VUSNSNHUNPHZOE-HZPDHXFCSA-N 2 2 330.476 2.267 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000655054991 471258408 /nfs/dbraw/zinc/25/84/08/471258408.db2.gz VUSNSNHUNPHZOE-HZPDHXFCSA-N 2 2 330.476 2.267 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C[C@H]1C[NH3+] ZINC000652357863 471278361 /nfs/dbraw/zinc/27/83/61/471278361.db2.gz IYQDLKQXNAYCEK-XJKCOSOUSA-N 2 2 339.867 2.271 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2C)C[C@H]1C[NH3+] ZINC000652357863 471278363 /nfs/dbraw/zinc/27/83/63/471278363.db2.gz IYQDLKQXNAYCEK-XJKCOSOUSA-N 2 2 339.867 2.271 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)s1 ZINC000655447395 471328959 /nfs/dbraw/zinc/32/89/59/471328959.db2.gz QSRNFMRDBOQFIT-IEBWSBKVSA-N 2 2 347.528 2.344 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478906 471358562 /nfs/dbraw/zinc/35/85/62/471358562.db2.gz DGICDQMRLLWZGJ-AEFFLSMTSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478906 471358568 /nfs/dbraw/zinc/35/85/68/471358568.db2.gz DGICDQMRLLWZGJ-AEFFLSMTSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478906 471358572 /nfs/dbraw/zinc/35/85/72/471358572.db2.gz DGICDQMRLLWZGJ-AEFFLSMTSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478906 471358579 /nfs/dbraw/zinc/35/85/79/471358579.db2.gz DGICDQMRLLWZGJ-AEFFLSMTSA-N 3 2 334.508 2.100 10 0 EEAELP Cc1nc2cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2o1 ZINC000666362383 471372518 /nfs/dbraw/zinc/37/25/18/471372518.db2.gz BFVMAUBDLHMGSL-UHFFFAOYSA-N 2 2 333.436 2.141 10 0 EEAELP Cc1nc2cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2o1 ZINC000666362383 471372523 /nfs/dbraw/zinc/37/25/23/471372523.db2.gz BFVMAUBDLHMGSL-UHFFFAOYSA-N 2 2 333.436 2.141 10 0 EEAELP COc1cccc([C@H](CNC(=O)N[C@@H](C)c2[nH+]ccn2C)[NH+](C)C)c1 ZINC000663445036 471380927 /nfs/dbraw/zinc/38/09/27/471380927.db2.gz NQOLIQVTPMQYQB-BBRMVZONSA-N 2 2 345.447 2.092 10 0 EEAELP CCOCC[NH+]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000663553078 471423028 /nfs/dbraw/zinc/42/30/28/471423028.db2.gz GTLHQDVOOYGJKR-UHFFFAOYSA-N 2 2 345.443 2.411 10 0 EEAELP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000655777364 471479557 /nfs/dbraw/zinc/47/95/57/471479557.db2.gz RDRDOSKFZMNLOT-KRWDZBQOSA-N 2 2 346.450 2.256 10 0 EEAELP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000655777364 471479562 /nfs/dbraw/zinc/47/95/62/471479562.db2.gz RDRDOSKFZMNLOT-KRWDZBQOSA-N 2 2 346.450 2.256 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659045983 471486442 /nfs/dbraw/zinc/48/64/42/471486442.db2.gz LKVWREUKZQHPTJ-KRWDZBQOSA-N 2 2 342.399 2.073 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1[nH+]ccn1C ZINC000661192561 471662439 /nfs/dbraw/zinc/66/24/39/471662439.db2.gz FGZJKMFQOWTXPX-ZOBUZTSGSA-N 2 2 341.459 2.443 10 0 EEAELP CC(C)[N@H+](C)CC1CCN(C(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670076368 471670109 /nfs/dbraw/zinc/67/01/09/471670109.db2.gz CGUGCCFITWRKMF-UHFFFAOYSA-N 2 2 333.480 2.154 10 0 EEAELP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670076368 471670115 /nfs/dbraw/zinc/67/01/15/471670115.db2.gz CGUGCCFITWRKMF-UHFFFAOYSA-N 2 2 333.480 2.154 10 0 EEAELP CCN(C(=O)NCCc1cn2c(cccc2C)[nH+]1)[C@H]1CC[N@@H+](CC)C1 ZINC000665217019 471971768 /nfs/dbraw/zinc/97/17/68/471971768.db2.gz VUSMIUQWQYOMHN-KRWDZBQOSA-N 2 2 343.475 2.311 10 0 EEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000668062547 471992732 /nfs/dbraw/zinc/99/27/32/471992732.db2.gz MJQMLDOCTXAETO-XUVXKRRUSA-N 2 2 330.472 2.435 10 0 EEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000668062547 471992738 /nfs/dbraw/zinc/99/27/38/471992738.db2.gz MJQMLDOCTXAETO-XUVXKRRUSA-N 2 2 330.472 2.435 10 0 EEAELP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCOC2)O1 ZINC000668096729 472006716 /nfs/dbraw/zinc/00/67/16/472006716.db2.gz PEWIVDUXHJVLFO-SFHVURJKSA-N 2 2 328.416 2.037 10 0 EEAELP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCOC2)O1 ZINC000668096729 472006719 /nfs/dbraw/zinc/00/67/19/472006719.db2.gz PEWIVDUXHJVLFO-SFHVURJKSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317262 472068001 /nfs/dbraw/zinc/06/80/01/472068001.db2.gz NZVNWZXRQVRHEF-HKUYNNGSSA-N 2 2 347.503 2.249 10 0 EEAELP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317262 472068004 /nfs/dbraw/zinc/06/80/04/472068004.db2.gz NZVNWZXRQVRHEF-HKUYNNGSSA-N 2 2 347.503 2.249 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)CCO1 ZINC000662322867 472071658 /nfs/dbraw/zinc/07/16/58/472071658.db2.gz JAJDRLUHPCRKIA-SJORKVTESA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)CCO1 ZINC000662322867 472071662 /nfs/dbraw/zinc/07/16/62/472071662.db2.gz JAJDRLUHPCRKIA-SJORKVTESA-N 2 2 339.524 2.066 10 0 EEAELP CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000668588485 472187127 /nfs/dbraw/zinc/18/71/27/472187127.db2.gz ILUVCWUDMHYNDZ-MSOLQXFVSA-N 2 2 338.455 2.484 10 0 EEAELP CN(C(=O)c1ccc(F)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668619035 472197390 /nfs/dbraw/zinc/19/73/90/472197390.db2.gz YJKXAVAAKFFYBR-CYBMUJFWSA-N 2 2 325.453 2.128 10 0 EEAELP [NH3+][C@@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccc(F)cc1F ZINC000662714857 472220538 /nfs/dbraw/zinc/22/05/38/472220538.db2.gz LVIAVKMYLSHNAB-GFCCVEGCSA-N 2 2 348.275 2.040 10 0 EEAELP CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668731836 472242781 /nfs/dbraw/zinc/24/27/81/472242781.db2.gz UOWNFZDGSKJKGG-OAHLLOKOSA-N 2 2 327.432 2.004 10 0 EEAELP Cn1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(-c2ccccc2)n1 ZINC000668740190 472247813 /nfs/dbraw/zinc/24/78/13/472247813.db2.gz RLCJATYIWIKPSM-IBGZPJMESA-N 2 2 340.471 2.118 10 0 EEAELP Cn1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(-c2ccccc2)n1 ZINC000668740190 472247817 /nfs/dbraw/zinc/24/78/17/472247817.db2.gz RLCJATYIWIKPSM-IBGZPJMESA-N 2 2 340.471 2.118 10 0 EEAELP O=S1(=O)CC(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692251 485609204 /nfs/dbraw/zinc/60/92/04/485609204.db2.gz PDPXUBWEHVDYDC-REPLKXPHSA-N 2 2 348.512 2.206 10 0 EEAELP O=S1(=O)CC(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692251 485609213 /nfs/dbraw/zinc/60/92/13/485609213.db2.gz PDPXUBWEHVDYDC-REPLKXPHSA-N 2 2 348.512 2.206 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCc2ccc(O)cc2C1 ZINC000676703298 486285534 /nfs/dbraw/zinc/28/55/34/486285534.db2.gz JBZIFGJFKNGFEX-FQEVSTJZSA-N 2 2 326.440 2.243 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCc2ccc(O)cc2C1 ZINC000676703298 486285537 /nfs/dbraw/zinc/28/55/37/486285537.db2.gz JBZIFGJFKNGFEX-FQEVSTJZSA-N 2 2 326.440 2.243 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000676703298 486285543 /nfs/dbraw/zinc/28/55/43/486285543.db2.gz JBZIFGJFKNGFEX-FQEVSTJZSA-N 2 2 326.440 2.243 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000676703298 486285548 /nfs/dbraw/zinc/28/55/48/486285548.db2.gz JBZIFGJFKNGFEX-FQEVSTJZSA-N 2 2 326.440 2.243 10 0 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ZINC001269742246 1184579650 /nfs/dbraw/zinc/57/96/50/1184579650.db2.gz RFYSWOUFCDWIKO-IEBWSBKVSA-N 2 2 348.491 2.185 10 0 EEAELP COCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001269742246 1184579655 /nfs/dbraw/zinc/57/96/55/1184579655.db2.gz RFYSWOUFCDWIKO-IEBWSBKVSA-N 2 2 348.491 2.185 10 0 EEAELP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001269746393 1184586582 /nfs/dbraw/zinc/58/65/82/1184586582.db2.gz BIWAJJDRSHNXDR-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC001269783609 1184618800 /nfs/dbraw/zinc/61/88/00/1184618800.db2.gz DUHJSCZUDPLBNU-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001269787188 1184620137 /nfs/dbraw/zinc/62/01/37/1184620137.db2.gz ZAJVEKBXRHUHSE-FNWMBBJUSA-N 2 2 345.274 2.490 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001269882035 1184691059 /nfs/dbraw/zinc/69/10/59/1184691059.db2.gz WPCPNDZHSVGPQH-GFCCVEGCSA-N 2 2 336.307 2.055 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001269882035 1184691064 /nfs/dbraw/zinc/69/10/64/1184691064.db2.gz WPCPNDZHSVGPQH-GFCCVEGCSA-N 2 2 336.307 2.055 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]CC1CCOCC1 ZINC001482449641 1185822035 /nfs/dbraw/zinc/82/20/35/1185822035.db2.gz IFUXFOIOVXEVQY-SFHVURJKSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CC1CCOCC1 ZINC001482449641 1185822041 /nfs/dbraw/zinc/82/20/41/1185822041.db2.gz IFUXFOIOVXEVQY-SFHVURJKSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cncs1 ZINC001482462401 1185931154 /nfs/dbraw/zinc/93/11/54/1185931154.db2.gz NHRYRCRBQORRLK-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001271171811 1186050132 /nfs/dbraw/zinc/05/01/32/1186050132.db2.gz UEVXNFZBWAJWLP-AWEZNQCLSA-N 2 2 334.489 2.093 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001280408301 1186329663 /nfs/dbraw/zinc/32/96/63/1186329663.db2.gz ARZIJXKTPYZDJJ-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001280408301 1186329667 /nfs/dbraw/zinc/32/96/67/1186329667.db2.gz ARZIJXKTPYZDJJ-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001280408301 1186329673 /nfs/dbraw/zinc/32/96/73/1186329673.db2.gz ARZIJXKTPYZDJJ-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001280408301 1186329679 /nfs/dbraw/zinc/32/96/79/1186329679.db2.gz ARZIJXKTPYZDJJ-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCc1ccccc1 ZINC001271682892 1186373640 /nfs/dbraw/zinc/37/36/40/1186373640.db2.gz GYZDMZMISWNZLC-FUHWJXTLSA-N 2 2 340.471 2.269 10 0 EEAELP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001482651422 1187487034 /nfs/dbraw/zinc/48/70/34/1187487034.db2.gz CRCOIGPXTTYDTF-FUHWJXTLSA-N 2 2 347.507 2.048 10 0 EEAELP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001482651422 1187487037 /nfs/dbraw/zinc/48/70/37/1187487037.db2.gz CRCOIGPXTTYDTF-FUHWJXTLSA-N 2 2 347.507 2.048 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CCc1[nH+]ccn1C ZINC001482939868 1187864890 /nfs/dbraw/zinc/86/48/90/1187864890.db2.gz VQUGZSBZNZEFJM-IXDOHACOSA-N 2 2 332.492 2.227 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001483069025 1188414815 /nfs/dbraw/zinc/41/48/15/1188414815.db2.gz OXZPMNAJQIHLCW-JZIMQPMSSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001483069025 1188414819 /nfs/dbraw/zinc/41/48/19/1188414819.db2.gz OXZPMNAJQIHLCW-JZIMQPMSSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001409420078 1189648655 /nfs/dbraw/zinc/64/86/55/1189648655.db2.gz MCIATCISYJEOLX-KGLIPLIRSA-N 2 2 332.423 2.093 10 0 EEAELP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001485899906 1193644294 /nfs/dbraw/zinc/64/42/94/1193644294.db2.gz LZCZEVAEKSAWAY-CABCVRRESA-N 2 2 344.459 2.200 10 0 EEAELP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400791 1190443512 /nfs/dbraw/zinc/44/35/12/1190443512.db2.gz NUVQZENNRMRZLX-ZFWWWQNUSA-N 2 2 333.411 2.066 10 0 EEAELP CC[C@H](F)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400791 1190443514 /nfs/dbraw/zinc/44/35/14/1190443514.db2.gz NUVQZENNRMRZLX-ZFWWWQNUSA-N 2 2 333.411 2.066 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC001483796726 1191039116 /nfs/dbraw/zinc/03/91/16/1191039116.db2.gz JPOWTOPVUKWLIR-KRWDZBQOSA-N 2 2 342.418 2.338 10 0 EEAELP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001483868889 1191099211 /nfs/dbraw/zinc/09/92/11/1191099211.db2.gz WWVPBHYNKYMTQF-CQSZACIVSA-N 2 2 335.414 2.346 10 0 EEAELP CN(C(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001483868889 1191099212 /nfs/dbraw/zinc/09/92/12/1191099212.db2.gz WWVPBHYNKYMTQF-CQSZACIVSA-N 2 2 335.414 2.346 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001483892436 1191111551 /nfs/dbraw/zinc/11/15/51/1191111551.db2.gz LNTDRDFALUEDMK-UHFFFAOYSA-N 2 2 329.488 2.158 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001483892436 1191111552 /nfs/dbraw/zinc/11/15/52/1191111552.db2.gz LNTDRDFALUEDMK-UHFFFAOYSA-N 2 2 329.488 2.158 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001484554825 1191412741 /nfs/dbraw/zinc/41/27/41/1191412741.db2.gz UVUMZGTYHBXTOT-OAHLLOKOSA-N 2 2 330.407 2.051 10 0 EEAELP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001484639725 1191454629 /nfs/dbraw/zinc/45/46/29/1191454629.db2.gz BTXLWINRNMRIKD-QGZUEGPWSA-N 2 2 330.476 2.430 10 0 EEAELP CCC1([NH2+]CC[C@H]2CCCCO2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484817801 1191538746 /nfs/dbraw/zinc/53/87/46/1191538746.db2.gz PSWYSDKCUPXSHW-MRXNPFEDSA-N 2 2 348.491 2.272 10 0 EEAELP Cc1ccc(CC[NH2+]C2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001484925649 1191572877 /nfs/dbraw/zinc/57/28/77/1191572877.db2.gz QTQKYYBUGFZAQF-UHFFFAOYSA-N 2 2 340.471 2.474 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc3cnc(C)o3)ccn12 ZINC001485144969 1191664036 /nfs/dbraw/zinc/66/40/36/1191664036.db2.gz AVPYQBQVGAVOIU-OLZOCXBDSA-N 2 2 341.415 2.236 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)o1 ZINC001485166180 1191676671 /nfs/dbraw/zinc/67/66/71/1191676671.db2.gz NSBAZPDVRSHOEB-HUUCEWRRSA-N 2 2 348.491 2.409 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC001485199302 1191682758 /nfs/dbraw/zinc/68/27/58/1191682758.db2.gz DFYKWLUDYCMYCY-WDEREUQCSA-N 2 2 338.814 2.428 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001485214177 1191696086 /nfs/dbraw/zinc/69/60/86/1191696086.db2.gz HKHPKDQESCNYMS-STQMWFEESA-N 2 2 334.851 2.299 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC001485330964 1191737782 /nfs/dbraw/zinc/73/77/82/1191737782.db2.gz MDHOTDIOIZTZNP-LBPRGKRZSA-N 2 2 336.386 2.106 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC001485330964 1191737783 /nfs/dbraw/zinc/73/77/83/1191737783.db2.gz MDHOTDIOIZTZNP-LBPRGKRZSA-N 2 2 336.386 2.106 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ns2)[C@@H]1C ZINC001486185745 1193726174 /nfs/dbraw/zinc/72/61/74/1193726174.db2.gz JVYVFWHEDLCTIM-ZBFHGGJFSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ns2)[C@@H]1C ZINC001486185745 1193726177 /nfs/dbraw/zinc/72/61/77/1193726177.db2.gz JVYVFWHEDLCTIM-ZBFHGGJFSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ns2)[C@@H]1C ZINC001486185745 1193726181 /nfs/dbraw/zinc/72/61/81/1193726181.db2.gz JVYVFWHEDLCTIM-ZBFHGGJFSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ns2)[C@@H]1C ZINC001486185745 1193726189 /nfs/dbraw/zinc/72/61/89/1193726189.db2.gz JVYVFWHEDLCTIM-ZBFHGGJFSA-N 2 2 338.521 2.262 10 0 EEAELP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001486509418 1194026107 /nfs/dbraw/zinc/02/61/07/1194026107.db2.gz RXFRFABEXSTXPU-MRXNPFEDSA-N 2 2 336.455 2.423 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001486509418 1194026110 /nfs/dbraw/zinc/02/61/10/1194026110.db2.gz RXFRFABEXSTXPU-MRXNPFEDSA-N 2 2 336.455 2.423 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC001486513033 1194031948 /nfs/dbraw/zinc/03/19/48/1194031948.db2.gz ONNIVRDZJSAARI-UHFFFAOYSA-N 2 2 342.418 2.361 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1=CC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001486513033 1194031952 /nfs/dbraw/zinc/03/19/52/1194031952.db2.gz ONNIVRDZJSAARI-UHFFFAOYSA-N 2 2 342.418 2.361 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001272974288 1194283720 /nfs/dbraw/zinc/28/37/20/1194283720.db2.gz RKNTUDBWJRQTEY-DLBZAZTESA-N 2 2 330.476 2.216 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C)[NH+](C)C ZINC001410037837 1197502144 /nfs/dbraw/zinc/50/21/44/1197502144.db2.gz WLXXMOKMWSJKGJ-KBPBESRZSA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C)[NH+](C)C ZINC001410037837 1197502146 /nfs/dbraw/zinc/50/21/46/1197502146.db2.gz WLXXMOKMWSJKGJ-KBPBESRZSA-N 2 2 338.521 2.118 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccccc1 ZINC001410446843 1197916231 /nfs/dbraw/zinc/91/62/31/1197916231.db2.gz XWEZUBUTNZCSEK-DJIMGWMZSA-N 2 2 326.444 2.160 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC(C)(C)O)c(C)c1 ZINC000872204761 1198084493 /nfs/dbraw/zinc/08/44/93/1198084493.db2.gz DWKUISMUMZRBFC-FUHWJXTLSA-N 2 2 331.460 2.353 10 0 EEAELP C[NH+]1CCN(C[C@H]([NH2+]Cc2cn(C3CC3)cn2)c2ccccc2)CC1 ZINC000865445029 1198220999 /nfs/dbraw/zinc/22/09/99/1198220999.db2.gz BSVMWFQFOIIKHQ-FQEVSTJZSA-N 2 2 339.487 2.296 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC001410893359 1198548238 /nfs/dbraw/zinc/54/82/38/1198548238.db2.gz GWHMHZRVIJWLFX-WBVHZDCISA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC001410893359 1198548241 /nfs/dbraw/zinc/54/82/41/1198548241.db2.gz GWHMHZRVIJWLFX-WBVHZDCISA-N 2 2 336.505 2.098 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000874455670 1198898062 /nfs/dbraw/zinc/89/80/62/1198898062.db2.gz NSPGTTDAMPEFSN-HZPDHXFCSA-N 2 2 328.416 2.117 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000874455670 1198898065 /nfs/dbraw/zinc/89/80/65/1198898065.db2.gz NSPGTTDAMPEFSN-HZPDHXFCSA-N 2 2 328.416 2.117 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866703898 1201584085 /nfs/dbraw/zinc/58/40/85/1201584085.db2.gz PWMIRFYEVWTEMJ-IBGZPJMESA-N 2 2 346.475 2.280 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866703898 1201584087 /nfs/dbraw/zinc/58/40/87/1201584087.db2.gz PWMIRFYEVWTEMJ-IBGZPJMESA-N 2 2 346.475 2.280 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868305062 1201787582 /nfs/dbraw/zinc/78/75/82/1201787582.db2.gz MCJXXVMMDGYQMM-SFHVURJKSA-N 2 2 341.459 2.458 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868305062 1201787583 /nfs/dbraw/zinc/78/75/83/1201787583.db2.gz MCJXXVMMDGYQMM-SFHVURJKSA-N 2 2 341.459 2.458 10 0 EEAELP O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001273979773 1202184408 /nfs/dbraw/zinc/18/44/08/1202184408.db2.gz MVZXQTNXOLKRGA-UHFFFAOYSA-N 2 2 342.443 2.232 10 0 EEAELP c1ccc(N2CC[NH+](CCC[N@@H+]3C[C@@H]4CSC[C@@H]4C3)CC2)cc1 ZINC000886570462 1202525188 /nfs/dbraw/zinc/52/51/88/1202525188.db2.gz LWFFYERVCXAWTO-HDICACEKSA-N 2 2 331.529 2.494 10 0 EEAELP c1ccc(N2CC[NH+](CCC[N@H+]3C[C@@H]4CSC[C@@H]4C3)CC2)cc1 ZINC000886570462 1202525190 /nfs/dbraw/zinc/52/51/90/1202525190.db2.gz LWFFYERVCXAWTO-HDICACEKSA-N 2 2 331.529 2.494 10 0 EEAELP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001279184139 1204394038 /nfs/dbraw/zinc/39/40/38/1204394038.db2.gz USLLCFXMJIVHJM-YMPXZSTISA-N 2 2 332.492 2.393 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001274279799 1204984259 /nfs/dbraw/zinc/98/42/59/1204984259.db2.gz JFLNYRILXYQYOC-JSGCOSHPSA-N 2 2 346.397 2.132 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)s1 ZINC001274537339 1205072291 /nfs/dbraw/zinc/07/22/91/1205072291.db2.gz ZZBDIEQTOMRXBG-IHWYPQMZSA-N 2 2 338.864 2.438 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccnc(Cl)c1)n1cc[nH+]c1 ZINC001275328623 1205310641 /nfs/dbraw/zinc/31/06/41/1205310641.db2.gz ZHCHNLGWLRICFC-QWHCGFSZSA-N 2 2 335.839 2.177 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)C[NH2+]CCc1ccns1 ZINC001275741839 1205508234 /nfs/dbraw/zinc/50/82/34/1205508234.db2.gz MKCAPYLFGYCASJ-UHFFFAOYSA-N 2 2 349.504 2.034 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924900516 1206048846 /nfs/dbraw/zinc/04/88/46/1206048846.db2.gz CNTKGSNTXTYLOA-IAGOWNOFSA-N 2 2 337.508 2.011 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924900516 1206048848 /nfs/dbraw/zinc/04/88/48/1206048848.db2.gz CNTKGSNTXTYLOA-IAGOWNOFSA-N 2 2 337.508 2.011 10 0 EEAELP CC1(C)[C@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925672490 1206142467 /nfs/dbraw/zinc/14/24/67/1206142467.db2.gz JGLIDDJEEFHVMV-QNDJGXFYSA-N 2 2 345.487 2.363 10 0 EEAELP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000931700609 1207443839 /nfs/dbraw/zinc/44/38/39/1207443839.db2.gz QTFRMUAHZTUNNT-QGZVFWFLSA-N 2 2 343.471 2.468 10 0 EEAELP C/C(=C\C(=O)NCCCC[N@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000900216250 1234097675 /nfs/dbraw/zinc/09/76/75/1234097675.db2.gz SUHHORUWRURHDP-WBWKYDSYSA-N 2 2 337.508 2.036 10 0 EEAELP C/C(=C\C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C[NH+]1CCOCC1 ZINC000900216250 1234097677 /nfs/dbraw/zinc/09/76/77/1234097677.db2.gz SUHHORUWRURHDP-WBWKYDSYSA-N 2 2 337.508 2.036 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cnn1C ZINC000903892949 1242358308 /nfs/dbraw/zinc/35/83/08/1242358308.db2.gz YUVCIWYKBXOBTQ-VPWXQRGCSA-N 2 2 342.487 2.308 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](c3ccccc3)OC[C@@H]2C)cnn1C ZINC000903892949 1242358318 /nfs/dbraw/zinc/35/83/18/1242358318.db2.gz YUVCIWYKBXOBTQ-VPWXQRGCSA-N 2 2 342.487 2.308 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001491225945 1258809449 /nfs/dbraw/zinc/80/94/49/1258809449.db2.gz RLVUGJPZMZFTGE-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001491225945 1258809453 /nfs/dbraw/zinc/80/94/53/1258809453.db2.gz RLVUGJPZMZFTGE-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001491507319 1259158743 /nfs/dbraw/zinc/15/87/43/1259158743.db2.gz ISVCHXDRRVREPK-LSDHHAIUSA-N 2 2 344.434 2.188 10 0 EEAELP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000850535497 1277261324 /nfs/dbraw/zinc/26/13/24/1277261324.db2.gz YKUWENJMWOXYSX-SJORKVTESA-N 2 2 337.414 2.450 10 0 EEAELP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncccn3)C2)ccn1 ZINC000856604122 1293579637 /nfs/dbraw/zinc/57/96/37/1293579637.db2.gz JNWBFGIZQNWOFF-SFHVURJKSA-N 2 2 341.459 2.365 10 0 EEAELP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ncccn3)C2)ccn1 ZINC000856604122 1293579642 /nfs/dbraw/zinc/57/96/42/1293579642.db2.gz JNWBFGIZQNWOFF-SFHVURJKSA-N 2 2 341.459 2.365 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ncccn3)C2)ccn1 ZINC000856604122 1293579645 /nfs/dbraw/zinc/57/96/45/1293579645.db2.gz JNWBFGIZQNWOFF-SFHVURJKSA-N 2 2 341.459 2.365 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ncccn3)C2)ccn1 ZINC000856604122 1293579647 /nfs/dbraw/zinc/57/96/47/1293579647.db2.gz JNWBFGIZQNWOFF-SFHVURJKSA-N 2 2 341.459 2.365 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1C)[C@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001277718720 1304255128 /nfs/dbraw/zinc/25/51/28/1304255128.db2.gz WKYDXIRADCIKHW-LJQANCHMSA-N 2 2 340.471 2.032 10 0 EEAELP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000796779558 1304579340 /nfs/dbraw/zinc/57/93/40/1304579340.db2.gz OZBKTMWJECABJZ-QXAKKESOSA-N 2 2 340.471 2.260 10 0 EEAELP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000796779558 1304579343 /nfs/dbraw/zinc/57/93/43/1304579343.db2.gz OZBKTMWJECABJZ-QXAKKESOSA-N 2 2 340.471 2.260 10 0 EEAELP Cc1cc(C)cc(OCC[NH2+][C@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001277979049 1305507746 /nfs/dbraw/zinc/50/77/46/1305507746.db2.gz OBVFXRIKOOZMEU-MRXNPFEDSA-N 2 2 344.459 2.085 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH+]cn1C ZINC001278408375 1310112339 /nfs/dbraw/zinc/11/23/39/1310112339.db2.gz DHPYSVOQWJMBMQ-AEFFLSMTSA-N 2 2 340.471 2.174 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@H]3CC[C@@H]([NH2+]CCCF)C3)[nH+]c12 ZINC001264482443 1322708398 /nfs/dbraw/zinc/70/83/98/1322708398.db2.gz JTHATSNKMWQXOV-JKSUJKDBSA-N 2 2 346.450 2.419 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001265478437 1323175734 /nfs/dbraw/zinc/17/57/34/1323175734.db2.gz DBGXJAZLAMYSKJ-DPQFCDQXSA-N 2 2 345.491 2.383 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001265478437 1323175736 /nfs/dbraw/zinc/17/57/36/1323175736.db2.gz DBGXJAZLAMYSKJ-DPQFCDQXSA-N 2 2 345.491 2.383 10 0 EEAELP COCC[NH2+]C1CCC(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001265736076 1323356742 /nfs/dbraw/zinc/35/67/42/1323356742.db2.gz HAAUUTMVFWGORE-OFLPRAFFSA-N 2 2 336.480 2.134 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001265990556 1323549146 /nfs/dbraw/zinc/54/91/46/1323549146.db2.gz QZKUQCSXHLBTAD-CVEARBPZSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@H]([NH2+]CC(F)(F)C(F)F)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266006180 1323560441 /nfs/dbraw/zinc/56/04/41/1323560441.db2.gz IVVOQTANILOUAZ-RYUDHWBXSA-N 2 2 341.393 2.198 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001266015446 1323567203 /nfs/dbraw/zinc/56/72/03/1323567203.db2.gz FAHZKSFADPDIAI-ANWGSAMYSA-N 2 2 330.476 2.318 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001266236085 1323821227 /nfs/dbraw/zinc/82/12/27/1323821227.db2.gz CFSZFFKJEIEOHR-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001266236085 1323821231 /nfs/dbraw/zinc/82/12/31/1323821231.db2.gz CFSZFFKJEIEOHR-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH2+]CC[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001280231574 1324124647 /nfs/dbraw/zinc/12/46/47/1324124647.db2.gz UJQVSTRAFCKOLP-MRXNPFEDSA-N 2 2 328.460 2.423 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCOC(C)C)CCC3)ccn12 ZINC001280480327 1324247450 /nfs/dbraw/zinc/24/74/50/1324247450.db2.gz KIYKCYFRXFOMOJ-UHFFFAOYSA-N 2 2 344.459 2.310 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC(C)([NH2+]CCOC(C)C)CC1 ZINC001281499768 1325176360 /nfs/dbraw/zinc/17/63/60/1325176360.db2.gz HLGZHIZAHQHZMZ-UHFFFAOYSA-N 2 2 349.475 2.028 10 0 EEAELP Cc1ccncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282155949 1325635588 /nfs/dbraw/zinc/63/55/88/1325635588.db2.gz KQSBWGYTKWDCPL-GJZGRUSLSA-N 2 2 337.427 2.334 10 0 EEAELP C[C@@H]([NH2+]CCCC1CCCC1)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CCO1 ZINC001282941211 1325844375 /nfs/dbraw/zinc/84/43/75/1325844375.db2.gz VOQMRJDGOSOFCA-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC001282957779 1325853650 /nfs/dbraw/zinc/85/36/50/1325853650.db2.gz IVNDNHUUBPEKNG-IXDOHACOSA-N 2 2 336.455 2.240 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC001282957779 1325853653 /nfs/dbraw/zinc/85/36/53/1325853653.db2.gz IVNDNHUUBPEKNG-IXDOHACOSA-N 2 2 336.455 2.240 10 0 EEAELP C[C@@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001283205105 1325954584 /nfs/dbraw/zinc/95/45/84/1325954584.db2.gz WMNNEFKAWBOART-STQMWFEESA-N 2 2 346.397 2.272 10 0 EEAELP CCOCC[N@H+]1CC[C@@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001284059272 1326386974 /nfs/dbraw/zinc/38/69/74/1326386974.db2.gz VWZDPTFSKFYNPW-MJGOQNOKSA-N 2 2 342.443 2.326 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](C[NH2+]CCOC2CCC2)C1 ZINC001491814591 1330261499 /nfs/dbraw/zinc/26/14/99/1330261499.db2.gz PWVPEOOBLOXXMK-CQSZACIVSA-N 2 2 342.443 2.184 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc2nc(C)c(C)o2)c[nH+]1 ZINC001492042065 1330415147 /nfs/dbraw/zinc/41/51/47/1330415147.db2.gz XOUZITDMRVHROO-GFCCVEGCSA-N 2 2 347.463 2.216 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001492047734 1330421161 /nfs/dbraw/zinc/42/11/61/1330421161.db2.gz ZYRDSNZIDNADAI-WMZOPIPTSA-N 2 2 340.471 2.439 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ncccc1C ZINC001316893868 1331960089 /nfs/dbraw/zinc/96/00/89/1331960089.db2.gz NBFGZTGFUXUGEU-HZPDHXFCSA-N 2 2 341.459 2.245 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ncccc1C ZINC001316893868 1331960092 /nfs/dbraw/zinc/96/00/92/1331960092.db2.gz NBFGZTGFUXUGEU-HZPDHXFCSA-N 2 2 341.459 2.245 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ncccc1C ZINC001316893868 1331960093 /nfs/dbraw/zinc/96/00/93/1331960093.db2.gz NBFGZTGFUXUGEU-HZPDHXFCSA-N 2 2 341.459 2.245 10 0 EEAELP CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001317047215 1332058998 /nfs/dbraw/zinc/05/89/98/1332058998.db2.gz LJUWGVUYOPRDEN-FGTMMUONSA-N 2 2 348.491 2.182 10 0 EEAELP CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001317047215 1332059001 /nfs/dbraw/zinc/05/90/01/1332059001.db2.gz LJUWGVUYOPRDEN-FGTMMUONSA-N 2 2 348.491 2.182 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cccc(Cl)n1 ZINC001317255567 1332154855 /nfs/dbraw/zinc/15/48/55/1332154855.db2.gz SLRNSGKITFAEJX-GFCCVEGCSA-N 2 2 343.818 2.291 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCCCC(F)(F)F ZINC001317258252 1332155918 /nfs/dbraw/zinc/15/59/18/1332155918.db2.gz UMERRBFWWISYFS-OLZOCXBDSA-N 2 2 346.397 2.272 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCCCC(F)(F)F ZINC001317258246 1332155953 /nfs/dbraw/zinc/15/59/53/1332155953.db2.gz UMERRBFWWISYFS-CHWSQXEVSA-N 2 2 346.397 2.272 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCc1ccc2ccccc2c1 ZINC001317291190 1332166743 /nfs/dbraw/zinc/16/67/43/1332166743.db2.gz VXHRFZMZKKLZMV-INIZCTEOSA-N 2 2 336.439 2.373 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001317602440 1332320602 /nfs/dbraw/zinc/32/06/02/1332320602.db2.gz YIJLESVDSLKKHG-GOSISDBHSA-N 2 2 340.471 2.126 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)o1 ZINC001317620408 1332332001 /nfs/dbraw/zinc/33/20/01/1332332001.db2.gz OMHJPYXKBAZMNE-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)o1 ZINC001317620408 1332332005 /nfs/dbraw/zinc/33/20/05/1332332005.db2.gz OMHJPYXKBAZMNE-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001317676944 1332365839 /nfs/dbraw/zinc/36/58/39/1332365839.db2.gz SFDYTRQQXUZOKQ-GDBMZVCRSA-N 2 2 336.455 2.022 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001318437907 1332534129 /nfs/dbraw/zinc/53/41/29/1332534129.db2.gz VBIMKOJTGRVDAC-IAGOWNOFSA-N 2 2 336.480 2.040 10 0 EEAELP C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319537174 1332717592 /nfs/dbraw/zinc/71/75/92/1332717592.db2.gz DCANBKMMYBCALQ-AWEZNQCLSA-N 2 2 332.423 2.161 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)c2cccc3[nH+]ccn32)s1 ZINC001320493072 1332897239 /nfs/dbraw/zinc/89/72/39/1332897239.db2.gz XTBAZFZYACLEFP-LBPRGKRZSA-N 2 2 343.456 2.397 10 0 EEAELP CC(C)C[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001321128226 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2.043 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ncc(Cl)s1 ZINC001668888174 1356037439 /nfs/dbraw/zinc/03/74/39/1356037439.db2.gz VLNRPUZQQFBTIH-PCAWENJQSA-N 2 2 342.896 2.043 10 0 EEAELP C[C@H](CC(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)nc1)n1cc[nH+]c1 ZINC001669064374 1356080941 /nfs/dbraw/zinc/08/09/41/1356080941.db2.gz ULMCGKCTCPVXQN-BAABZTOOSA-N 2 2 347.850 2.345 10 0 EEAELP CC/C=C\CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001673021351 1356633272 /nfs/dbraw/zinc/63/32/72/1356633272.db2.gz SPMMHVVTSNUABZ-PLNGDYQASA-N 2 2 330.476 2.243 10 0 EEAELP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001673934390 1356762950 /nfs/dbraw/zinc/76/29/50/1356762950.db2.gz XUKDPJRJEUCENE-STQMWFEESA-N 2 2 332.370 2.052 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001674382632 1356826089 /nfs/dbraw/zinc/82/60/89/1356826089.db2.gz LROUPSSXZIFIOF-AEFFLSMTSA-N 2 2 330.476 2.382 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1CC[NH2+]CCc1ccns1 ZINC001698920519 1405162505 /nfs/dbraw/zinc/16/25/05/1405162505.db2.gz MVNCFFLAMUVIRQ-AWEZNQCLSA-N 2 2 347.488 2.012 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)c(C)o1 ZINC001699260550 1405302516 /nfs/dbraw/zinc/30/25/16/1405302516.db2.gz OYMNCTCWYSXXJC-VOTSOKGWSA-N 2 2 348.491 2.318 10 0 EEAELP Brc1ccsc1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000925763329 770935569 /nfs/dbraw/zinc/93/55/69/770935569.db2.gz SCWVFBGBSIEDAW-TZMCWYRMSA-N 2 2 345.306 2.410 10 0 EEAELP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000237978244 774473694 /nfs/dbraw/zinc/47/36/94/774473694.db2.gz RVOFLIUBUCKVBP-PVAVHDDUSA-N 2 2 333.501 2.313 10 0 EEAELP CC(C)(CNC(=O)CC[N@@H+]1CCc2ccccc2C1)n1cc[nH+]c1 ZINC000912615317 788270571 /nfs/dbraw/zinc/27/05/71/788270571.db2.gz LJFNYDLHFLAARK-UHFFFAOYSA-N 2 2 326.444 2.183 10 0 EEAELP CC(C)(CNC(=O)CC[N@H+]1CCc2ccccc2C1)n1cc[nH+]c1 ZINC000912615317 788270576 /nfs/dbraw/zinc/27/05/76/788270576.db2.gz LJFNYDLHFLAARK-UHFFFAOYSA-N 2 2 326.444 2.183 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000844188829 788894141 /nfs/dbraw/zinc/89/41/41/788894141.db2.gz YKOKBWFPPSTFPM-OAHLLOKOSA-N 2 2 343.393 2.056 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000844188829 788894155 /nfs/dbraw/zinc/89/41/55/788894155.db2.gz YKOKBWFPPSTFPM-OAHLLOKOSA-N 2 2 343.393 2.056 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373843 789033692 /nfs/dbraw/zinc/03/36/92/789033692.db2.gz RTVFTTBJZVZSFX-ROUUACIJSA-N 2 2 338.879 2.080 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373843 789033703 /nfs/dbraw/zinc/03/37/03/789033703.db2.gz RTVFTTBJZVZSFX-ROUUACIJSA-N 2 2 338.879 2.080 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000174378165 792083799 /nfs/dbraw/zinc/08/37/99/792083799.db2.gz IQZDLEAXQJPZEN-QAPCUYQASA-N 2 2 341.459 2.496 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000174378165 792083810 /nfs/dbraw/zinc/08/38/10/792083810.db2.gz IQZDLEAXQJPZEN-QAPCUYQASA-N 2 2 341.459 2.496 10 0 EEAELP O=c1[nH]c2cccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)c2o1 ZINC000921860529 797691098 /nfs/dbraw/zinc/69/10/98/797691098.db2.gz RPNJVSBZYVXCPJ-JKSUJKDBSA-N 2 2 331.416 2.001 10 0 EEAELP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787291114 807069744 /nfs/dbraw/zinc/06/97/44/807069744.db2.gz IOXAZCYPJGQFBP-KRWDZBQOSA-N 3 2 327.476 2.160 10 0 EEAELP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)Cc1cscn1 ZINC001436494510 1088001214 /nfs/dbraw/zinc/00/12/14/1088001214.db2.gz KBDWBEKAHWMSMW-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)Cc1cscn1 ZINC001436494510 1088001228 /nfs/dbraw/zinc/00/12/28/1088001228.db2.gz KBDWBEKAHWMSMW-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP CC[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cscn1 ZINC001436494510 1088001245 /nfs/dbraw/zinc/00/12/45/1088001245.db2.gz KBDWBEKAHWMSMW-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP CC[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cscn1 ZINC001436494510 1088001260 /nfs/dbraw/zinc/00/12/60/1088001260.db2.gz KBDWBEKAHWMSMW-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP C[N@H+](CCF)C[C@@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001436501487 1088032304 /nfs/dbraw/zinc/03/23/04/1088032304.db2.gz SSYPNNFMFPHKJE-INIZCTEOSA-N 2 2 345.422 2.163 10 0 EEAELP C[N@@H+](CCF)C[C@@H]1CCCCN1C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001436501487 1088032315 /nfs/dbraw/zinc/03/23/15/1088032315.db2.gz SSYPNNFMFPHKJE-INIZCTEOSA-N 2 2 345.422 2.163 10 0 EEAELP Cc1nc(C[NH2+][C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)cs1 ZINC001436811005 1088397825 /nfs/dbraw/zinc/39/78/25/1088397825.db2.gz FAPYWTUGAIVQMJ-MLGOLLRUSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001436972560 1088664995 /nfs/dbraw/zinc/66/49/95/1088664995.db2.gz SEFMKFJTOUEWFJ-OIISXLGYSA-N 2 2 326.444 2.334 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001436972560 1088665000 /nfs/dbraw/zinc/66/50/00/1088665000.db2.gz SEFMKFJTOUEWFJ-OIISXLGYSA-N 2 2 326.444 2.334 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001436975833 1088671991 /nfs/dbraw/zinc/67/19/91/1088671991.db2.gz CXXBTSWNPSQXRV-CALCHBBNSA-N 2 2 344.434 2.237 10 0 EEAELP Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH+]cn3C)C2)c1 ZINC001436978866 1088676731 /nfs/dbraw/zinc/67/67/31/1088676731.db2.gz MDZDILJMKPYELE-HDICACEKSA-N 2 2 340.471 2.407 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1c(F)cccc1Cl ZINC001437431918 1089734589 /nfs/dbraw/zinc/73/45/89/1089734589.db2.gz ZQZIEVDXFFLXTL-GFCCVEGCSA-N 2 2 338.814 2.360 10 0 EEAELP Cc1cc(C[N@H+](C)CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)sn1 ZINC001437481013 1089825606 /nfs/dbraw/zinc/82/56/06/1089825606.db2.gz CMHGYOLTQBGOSN-GOEBONIOSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)sn1 ZINC001437481013 1089825623 /nfs/dbraw/zinc/82/56/23/1089825623.db2.gz CMHGYOLTQBGOSN-GOEBONIOSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)sn1 ZINC001437481013 1089825651 /nfs/dbraw/zinc/82/56/51/1089825651.db2.gz CMHGYOLTQBGOSN-GOEBONIOSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)sn1 ZINC001437481013 1089825671 /nfs/dbraw/zinc/82/56/71/1089825671.db2.gz CMHGYOLTQBGOSN-GOEBONIOSA-N 2 2 336.505 2.016 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)CCc2c[nH+]cn2C)c1 ZINC001437552118 1090013799 /nfs/dbraw/zinc/01/37/99/1090013799.db2.gz MHHDUULJCRBHME-OAHLLOKOSA-N 2 2 344.459 2.171 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)CCc2c[nH+]cn2C)c1 ZINC001437552118 1090013811 /nfs/dbraw/zinc/01/38/11/1090013811.db2.gz MHHDUULJCRBHME-OAHLLOKOSA-N 2 2 344.459 2.171 10 0 EEAELP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001438269583 1090752469 /nfs/dbraw/zinc/75/24/69/1090752469.db2.gz HEHOBVFYBZYBFD-INIZCTEOSA-N 2 2 348.491 2.317 10 0 EEAELP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001438269583 1090752473 /nfs/dbraw/zinc/75/24/73/1090752473.db2.gz HEHOBVFYBZYBFD-INIZCTEOSA-N 2 2 348.491 2.317 10 0 EEAELP C[C@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001438659221 1091147350 /nfs/dbraw/zinc/14/73/50/1091147350.db2.gz FZNYRVFIRSXBTO-CABCVRRESA-N 2 2 344.434 2.221 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001438662955 1091150789 /nfs/dbraw/zinc/15/07/89/1091150789.db2.gz SDZNBYNUHXWITJ-GOEBONIOSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001438662955 1091150792 /nfs/dbraw/zinc/15/07/92/1091150792.db2.gz SDZNBYNUHXWITJ-GOEBONIOSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001445435362 1091194259 /nfs/dbraw/zinc/19/42/59/1091194259.db2.gz UAXGTMXVZWONSH-KBAYOESNSA-N 2 2 340.471 2.435 10 0 EEAELP O=C(N[C@H](C[NH2+]Cc1ccsc1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001445956329 1091901719 /nfs/dbraw/zinc/90/17/19/1091901719.db2.gz MDYDOJIQCFNGRH-DOTOQJQBSA-N 2 2 344.484 2.192 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001439367109 1092092683 /nfs/dbraw/zinc/09/26/83/1092092683.db2.gz FBIRFQIDLSDROY-KBRIMQKVSA-N 2 2 344.434 2.299 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001439367109 1092092689 /nfs/dbraw/zinc/09/26/89/1092092689.db2.gz FBIRFQIDLSDROY-KBRIMQKVSA-N 2 2 344.434 2.299 10 0 EEAELP CC(C)c1ocnc1C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001439396811 1092148583 /nfs/dbraw/zinc/14/85/83/1092148583.db2.gz HJNHYISMSRPTJG-GJZGRUSLSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001439396811 1092148586 /nfs/dbraw/zinc/14/85/86/1092148586.db2.gz HJNHYISMSRPTJG-GJZGRUSLSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001439396811 1092148589 /nfs/dbraw/zinc/14/85/89/1092148589.db2.gz HJNHYISMSRPTJG-GJZGRUSLSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001439396811 1092148595 /nfs/dbraw/zinc/14/85/95/1092148595.db2.gz HJNHYISMSRPTJG-GJZGRUSLSA-N 2 2 336.480 2.076 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001446180078 1092248019 /nfs/dbraw/zinc/24/80/19/1092248019.db2.gz CWNZQUZDDQQTKF-QGZVFWFLSA-N 2 2 342.418 2.407 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCC1 ZINC001439547263 1092417695 /nfs/dbraw/zinc/41/76/95/1092417695.db2.gz HWLVLPFTIWQNQR-KRWDZBQOSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCC1 ZINC001439547263 1092417700 /nfs/dbraw/zinc/41/77/00/1092417700.db2.gz HWLVLPFTIWQNQR-KRWDZBQOSA-N 2 2 333.451 2.391 10 0 EEAELP C[C@@]1(C[NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001439896657 1092956294 /nfs/dbraw/zinc/95/62/94/1092956294.db2.gz YSJDJIZGXPUDEF-APWZRJJASA-N 2 2 330.476 2.074 10 0 EEAELP C[C@]1(C[NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001439896672 1092956874 /nfs/dbraw/zinc/95/68/74/1092956874.db2.gz YSJDJIZGXPUDEF-VQIMIIECSA-N 2 2 330.476 2.074 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)o1 ZINC001448393204 1093389793 /nfs/dbraw/zinc/38/97/93/1093389793.db2.gz UHHMEWKXSTWAHQ-CABCVRRESA-N 2 2 336.480 2.212 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)o1 ZINC001448393204 1093389798 /nfs/dbraw/zinc/38/97/98/1093389798.db2.gz UHHMEWKXSTWAHQ-CABCVRRESA-N 2 2 336.480 2.212 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001448440973 1093451503 /nfs/dbraw/zinc/45/15/03/1093451503.db2.gz WECZQANUNSBAJZ-NNZMDNLPSA-N 2 2 342.487 2.217 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001448440973 1093451507 /nfs/dbraw/zinc/45/15/07/1093451507.db2.gz WECZQANUNSBAJZ-NNZMDNLPSA-N 2 2 342.487 2.217 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001448440973 1093451511 /nfs/dbraw/zinc/45/15/11/1093451511.db2.gz WECZQANUNSBAJZ-NNZMDNLPSA-N 2 2 342.487 2.217 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]21 ZINC001448440973 1093451516 /nfs/dbraw/zinc/45/15/16/1093451516.db2.gz WECZQANUNSBAJZ-NNZMDNLPSA-N 2 2 342.487 2.217 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001448670469 1093738187 /nfs/dbraw/zinc/73/81/87/1093738187.db2.gz ISLFFXMLRGKYNO-PBHICJAKSA-N 2 2 347.463 2.403 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001448670483 1093738245 /nfs/dbraw/zinc/73/82/45/1093738245.db2.gz ISLFFXMLRGKYNO-YOEHRIQHSA-N 2 2 347.463 2.403 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1F ZINC001448676885 1093743621 /nfs/dbraw/zinc/74/36/21/1093743621.db2.gz AFYBZXQURPTBSL-GJZGRUSLSA-N 2 2 344.434 2.221 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001449028331 1094035803 /nfs/dbraw/zinc/03/58/03/1094035803.db2.gz ZZIYJZOMLHUWMX-PKOBYXMFSA-N 2 2 348.491 2.202 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001449028331 1094035808 /nfs/dbraw/zinc/03/58/08/1094035808.db2.gz ZZIYJZOMLHUWMX-PKOBYXMFSA-N 2 2 348.491 2.202 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001449068357 1094082524 /nfs/dbraw/zinc/08/25/24/1094082524.db2.gz VOQLMRRLDFMSOS-BAJBZYGVSA-N 2 2 331.247 2.077 10 0 EEAELP Cc1cnc(C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)o1 ZINC001440881087 1094139274 /nfs/dbraw/zinc/13/92/74/1094139274.db2.gz DDFVOGFANKMTHW-UHFFFAOYSA-N 2 2 347.463 2.258 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001440888249 1094146349 /nfs/dbraw/zinc/14/63/49/1094146349.db2.gz NLKKOTKIMASBHL-UHFFFAOYSA-N 2 2 349.504 2.300 10 0 EEAELP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001449384645 1094358021 /nfs/dbraw/zinc/35/80/21/1094358021.db2.gz UAFVTXRNMVFKJH-KLAILNCOSA-N 2 2 332.492 2.461 10 0 EEAELP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001449387749 1094361093 /nfs/dbraw/zinc/36/10/93/1094361093.db2.gz PCIVJXPKRUMHOJ-IMUUDWKMSA-N 2 2 341.459 2.071 10 0 EEAELP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001449387749 1094361098 /nfs/dbraw/zinc/36/10/98/1094361098.db2.gz PCIVJXPKRUMHOJ-IMUUDWKMSA-N 2 2 341.459 2.071 10 0 EEAELP CC1(C)CC(C[NH2+][C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C2CC2)C1 ZINC001441207287 1094568886 /nfs/dbraw/zinc/56/88/86/1094568886.db2.gz QREHNJSPWQRSOX-AEFFLSMTSA-N 2 2 344.503 2.366 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441286560 1094712926 /nfs/dbraw/zinc/71/29/26/1094712926.db2.gz VQZRWXVMPFEUGX-LEUOFYLZSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441286560 1094712940 /nfs/dbraw/zinc/71/29/40/1094712940.db2.gz VQZRWXVMPFEUGX-LEUOFYLZSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001441286560 1094712951 /nfs/dbraw/zinc/71/29/51/1094712951.db2.gz VQZRWXVMPFEUGX-LEUOFYLZSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001441286560 1094712964 /nfs/dbraw/zinc/71/29/64/1094712964.db2.gz VQZRWXVMPFEUGX-LEUOFYLZSA-N 2 2 332.492 2.319 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001441365637 1094887888 /nfs/dbraw/zinc/88/78/88/1094887888.db2.gz DMSRPWNNICQPAC-YRGRVCCFSA-N 2 2 340.418 2.118 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001441365637 1094887904 /nfs/dbraw/zinc/88/79/04/1094887904.db2.gz DMSRPWNNICQPAC-YRGRVCCFSA-N 2 2 340.418 2.118 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(F)cc1 ZINC001441551641 1095283070 /nfs/dbraw/zinc/28/30/70/1095283070.db2.gz FFMGTGZOAHQIFK-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001442230025 1096528445 /nfs/dbraw/zinc/52/84/45/1096528445.db2.gz DCBUIEYZTHXABA-UHFFFAOYSA-N 2 2 347.488 2.195 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001442230025 1096528452 /nfs/dbraw/zinc/52/84/52/1096528452.db2.gz DCBUIEYZTHXABA-UHFFFAOYSA-N 2 2 347.488 2.195 10 0 EEAELP C[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCC1CCCCC1 ZINC001442457337 1096782773 /nfs/dbraw/zinc/78/27/73/1096782773.db2.gz QDFVBTZRTNSJGF-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCC1CCCCC1 ZINC001442457337 1096782779 /nfs/dbraw/zinc/78/27/79/1096782779.db2.gz QDFVBTZRTNSJGF-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001443187308 1097630360 /nfs/dbraw/zinc/63/03/60/1097630360.db2.gz FSQSNFALHLHGML-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001443187308 1097630364 /nfs/dbraw/zinc/63/03/64/1097630364.db2.gz FSQSNFALHLHGML-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001443192217 1097637599 /nfs/dbraw/zinc/63/75/99/1097637599.db2.gz YHLQQQKFECONLN-WMZOPIPTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001443192217 1097637605 /nfs/dbraw/zinc/63/76/05/1097637605.db2.gz YHLQQQKFECONLN-WMZOPIPTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001443192217 1097637608 /nfs/dbraw/zinc/63/76/08/1097637608.db2.gz YHLQQQKFECONLN-WMZOPIPTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001443192217 1097637612 /nfs/dbraw/zinc/63/76/12/1097637612.db2.gz YHLQQQKFECONLN-WMZOPIPTSA-N 2 2 348.491 2.280 10 0 EEAELP C[N@H+](C/C=C\c1ccccc1)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001443330048 1097836250 /nfs/dbraw/zinc/83/62/50/1097836250.db2.gz DHHIUOSNMLYDHF-ZXYDQQDNSA-N 2 2 338.455 2.377 10 0 EEAELP C[N@@H+](C/C=C\c1ccccc1)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001443330048 1097836261 /nfs/dbraw/zinc/83/62/61/1097836261.db2.gz DHHIUOSNMLYDHF-ZXYDQQDNSA-N 2 2 338.455 2.377 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]Cc1cscn1 ZINC001479520851 1098588053 /nfs/dbraw/zinc/58/80/53/1098588053.db2.gz DSWSYKWVTXDNHA-CJNGLKHVSA-N 2 2 347.488 2.216 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCC[C@@H](C)O ZINC001479637272 1098666136 /nfs/dbraw/zinc/66/61/36/1098666136.db2.gz VFYODMRLIZYFSI-RPVQJOFSSA-N 2 2 344.459 2.307 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCC[C@@H](C)O ZINC001479637272 1098666142 /nfs/dbraw/zinc/66/61/42/1098666142.db2.gz VFYODMRLIZYFSI-RPVQJOFSSA-N 2 2 344.459 2.307 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1coc(C)n1 ZINC001479637508 1098666747 /nfs/dbraw/zinc/66/67/47/1098666747.db2.gz RORXFDBAIJFLLV-FGTMMUONSA-N 2 2 348.491 2.327 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1coc(C)n1 ZINC001479637508 1098666752 /nfs/dbraw/zinc/66/67/52/1098666752.db2.gz RORXFDBAIJFLLV-FGTMMUONSA-N 2 2 348.491 2.327 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1coc(C)n1 ZINC001479637508 1098666755 /nfs/dbraw/zinc/66/67/55/1098666755.db2.gz RORXFDBAIJFLLV-FGTMMUONSA-N 2 2 348.491 2.327 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1coc(C)n1 ZINC001479637508 1098666759 /nfs/dbraw/zinc/66/67/59/1098666759.db2.gz RORXFDBAIJFLLV-FGTMMUONSA-N 2 2 348.491 2.327 10 0 EEAELP C[C@](C[NH2+]CC1CCC1)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001444137677 1098677209 /nfs/dbraw/zinc/67/72/09/1098677209.db2.gz WBZOURWWGJHDMJ-HNAYVOBHSA-N 2 2 330.476 2.120 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCCCCF ZINC001479711494 1098791844 /nfs/dbraw/zinc/79/18/44/1098791844.db2.gz WZCMBDRAOLQJOJ-PMPSAXMXSA-N 2 2 336.455 2.164 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCCCCF ZINC001479711494 1098791853 /nfs/dbraw/zinc/79/18/53/1098791853.db2.gz WZCMBDRAOLQJOJ-PMPSAXMXSA-N 2 2 336.455 2.164 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)no1 ZINC001479800569 1099029796 /nfs/dbraw/zinc/02/97/96/1099029796.db2.gz OQIBRYQBOLSHSG-MRXNPFEDSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)no1 ZINC001479800569 1099029807 /nfs/dbraw/zinc/02/98/07/1099029807.db2.gz OQIBRYQBOLSHSG-MRXNPFEDSA-N 2 2 336.480 2.186 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001444421946 1099042336 /nfs/dbraw/zinc/04/23/36/1099042336.db2.gz QGSRCXNFFPGWBJ-CYBMUJFWSA-N 2 2 336.386 2.363 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001444423648 1099044921 /nfs/dbraw/zinc/04/49/21/1099044921.db2.gz TZFIGRWHELUPRT-KGLIPLIRSA-N 2 2 328.407 2.051 10 0 EEAELP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001479827723 1099107185 /nfs/dbraw/zinc/10/71/85/1099107185.db2.gz YGJAFJHENACRMB-RDJZCZTQSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001479827723 1099107189 /nfs/dbraw/zinc/10/71/89/1099107189.db2.gz YGJAFJHENACRMB-RDJZCZTQSA-N 2 2 336.480 2.127 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(C3CC3)o2)C1)n1cc[nH+]c1 ZINC001480225575 1099847298 /nfs/dbraw/zinc/84/72/98/1099847298.db2.gz CWFHDTUDNZFLKY-AEGPPILISA-N 2 2 343.431 2.137 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@H]2CNC(=O)CC[C@H]2CCC[N@H+]2C)co1 ZINC001480317196 1100052608 /nfs/dbraw/zinc/05/26/08/1100052608.db2.gz AGVOKIBIWKHPFB-MSOLQXFVSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@H]2CNC(=O)CC[C@H]2CCC[N@@H+]2C)co1 ZINC001480317196 1100052614 /nfs/dbraw/zinc/05/26/14/1100052614.db2.gz AGVOKIBIWKHPFB-MSOLQXFVSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[C@H]2CCC[NH+]2C)co1 ZINC001480317196 1100052626 /nfs/dbraw/zinc/05/26/26/1100052626.db2.gz AGVOKIBIWKHPFB-MSOLQXFVSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[C@H]2CCC[NH+]2C)co1 ZINC001480317196 1100052628 /nfs/dbraw/zinc/05/26/28/1100052628.db2.gz AGVOKIBIWKHPFB-MSOLQXFVSA-N 2 2 348.491 2.328 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480383642 1100179489 /nfs/dbraw/zinc/17/94/89/1100179489.db2.gz RWCYWSKTAILOGW-LSDHHAIUSA-N 2 2 344.459 2.430 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480383642 1100179493 /nfs/dbraw/zinc/17/94/93/1100179493.db2.gz RWCYWSKTAILOGW-LSDHHAIUSA-N 2 2 344.459 2.430 10 0 EEAELP CN(CC[N@H+](C)Cc1cc(C2CC2)no1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001445021890 1100180967 /nfs/dbraw/zinc/18/09/67/1100180967.db2.gz ZPYCGTDQSOPRDB-UHFFFAOYSA-N 2 2 348.491 2.317 10 0 EEAELP CN(CC[N@@H+](C)Cc1cc(C2CC2)no1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001445021890 1100180972 /nfs/dbraw/zinc/18/09/72/1100180972.db2.gz ZPYCGTDQSOPRDB-UHFFFAOYSA-N 2 2 348.491 2.317 10 0 EEAELP CC[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]Cc1cc(C)no1 ZINC001495133983 1100800716 /nfs/dbraw/zinc/80/07/16/1100800716.db2.gz DFXSAXCIELFLBO-WMZOPIPTSA-N 2 2 344.459 2.270 10 0 EEAELP CC(C)C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001496281728 1100863004 /nfs/dbraw/zinc/86/30/04/1100863004.db2.gz YDWUYJOYNCQCOU-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]C/C=C/Cl)C1CCCCC1 ZINC001496327282 1100922522 /nfs/dbraw/zinc/92/25/22/1100922522.db2.gz RUNTUJMJRROFGS-CDVVCGDMSA-N 2 2 338.883 2.370 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)CC3CC[NH+](C)CC3)C2)c(C)o1 ZINC001446559573 1101040428 /nfs/dbraw/zinc/04/04/28/1101040428.db2.gz RZTSCEJMMMOVAZ-IBGZPJMESA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)CC3CC[NH+](C)CC3)C2)c(C)o1 ZINC001446559573 1101040437 /nfs/dbraw/zinc/04/04/37/1101040437.db2.gz RZTSCEJMMMOVAZ-IBGZPJMESA-N 2 2 348.491 2.104 10 0 EEAELP C[C@H](c1ccccc1F)[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446559801 1101041052 /nfs/dbraw/zinc/04/10/52/1101041052.db2.gz HCHVYAUCLOXJEX-KDOFPFPSSA-N 2 2 330.407 2.364 10 0 EEAELP C[C@H](c1ccccc1F)[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446559801 1101041060 /nfs/dbraw/zinc/04/10/60/1101041060.db2.gz HCHVYAUCLOXJEX-KDOFPFPSSA-N 2 2 330.407 2.364 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]Cc2ocnc2C)C(C)C)c[nH+]1 ZINC001496572611 1101172953 /nfs/dbraw/zinc/17/29/53/1101172953.db2.gz YGOWMDPBPFDOTP-OAHLLOKOSA-N 2 2 347.463 2.154 10 0 EEAELP Cc1nc(C[NH+]2CCC(C)(CNC(=O)Cn3cc[nH+]c3)CC2)cs1 ZINC001446668013 1101195434 /nfs/dbraw/zinc/19/54/34/1101195434.db2.gz JBBDSEJHLLWDJA-UHFFFAOYSA-N 2 2 347.488 2.067 10 0 EEAELP CN(CC[N@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)Cn1cc[nH+]c1 ZINC001496848252 1101595542 /nfs/dbraw/zinc/59/55/42/1101595542.db2.gz PCVXBHHWEOXJQU-QGZVFWFLSA-N 2 2 330.407 2.100 10 0 EEAELP CN(CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)C(=O)Cn1cc[nH+]c1 ZINC001496848252 1101595551 /nfs/dbraw/zinc/59/55/51/1101595551.db2.gz PCVXBHHWEOXJQU-QGZVFWFLSA-N 2 2 330.407 2.100 10 0 EEAELP C[C@H](C[NH2+]C[C@H]1CC(C)(C)CO1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001496109409 1102080679 /nfs/dbraw/zinc/08/06/79/1102080679.db2.gz XACDIBRMRRQIIG-HUUCEWRRSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001497201354 1102117305 /nfs/dbraw/zinc/11/73/05/1102117305.db2.gz JPJOIZNELGAMCV-QWHCGFSZSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001497201354 1102117310 /nfs/dbraw/zinc/11/73/10/1102117310.db2.gz JPJOIZNELGAMCV-QWHCGFSZSA-N 2 2 328.407 2.262 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCC2(C[NH+](C(C)C)C2)O1 ZINC001447387929 1102576079 /nfs/dbraw/zinc/57/60/79/1102576079.db2.gz OEJPWIHVVXYAIR-JKSUJKDBSA-N 2 2 348.491 2.155 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCc1ccccc1 ZINC001447672756 1103089653 /nfs/dbraw/zinc/08/96/53/1103089653.db2.gz DYTYBTCNYFVJGO-CGTJXYLNSA-N 2 2 340.471 2.251 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2ccccn2)c[nH+]1 ZINC001447863059 1103470623 /nfs/dbraw/zinc/47/06/23/1103470623.db2.gz WSZYMUGSUHJXMA-GJZGRUSLSA-N 2 2 329.448 2.005 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C12CCC2 ZINC001454162128 1106789910 /nfs/dbraw/zinc/78/99/10/1106789910.db2.gz DAZYXUSEFHDDKL-SJORKVTESA-N 2 2 340.427 2.181 10 0 EEAELP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001480798215 1107135747 /nfs/dbraw/zinc/13/57/47/1107135747.db2.gz ADXWQSFYSSKWMC-HZPDHXFCSA-N 2 2 340.471 2.242 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCc2ccccc21 ZINC001480812460 1107162515 /nfs/dbraw/zinc/16/25/15/1107162515.db2.gz JFXXPLZFQSHDOZ-SJLPKXTDSA-N 2 2 340.471 2.488 10 0 EEAELP COc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001498400108 1107457404 /nfs/dbraw/zinc/45/74/04/1107457404.db2.gz OEEIFCVZUXEPSE-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001498400108 1107457409 /nfs/dbraw/zinc/45/74/09/1107457409.db2.gz OEEIFCVZUXEPSE-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001498400108 1107457413 /nfs/dbraw/zinc/45/74/13/1107457413.db2.gz OEEIFCVZUXEPSE-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001498400108 1107457417 /nfs/dbraw/zinc/45/74/17/1107457417.db2.gz OEEIFCVZUXEPSE-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1)[NH+](CC)CC ZINC001493134164 1107568032 /nfs/dbraw/zinc/56/80/32/1107568032.db2.gz BZKRNRJMFWUHSV-CVEARBPZSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)o1)[NH+](CC)CC ZINC001493134164 1107568041 /nfs/dbraw/zinc/56/80/41/1107568041.db2.gz BZKRNRJMFWUHSV-CVEARBPZSA-N 2 2 336.480 2.184 10 0 EEAELP CC(C)(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001499008370 1108448558 /nfs/dbraw/zinc/44/85/58/1108448558.db2.gz WTBXNGPZVJQBCL-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)(C)CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001499008370 1108448563 /nfs/dbraw/zinc/44/85/63/1108448563.db2.gz WTBXNGPZVJQBCL-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)oc1C ZINC001493803308 1108683491 /nfs/dbraw/zinc/68/34/91/1108683491.db2.gz RVRCTQUSRBCENN-UHFFFAOYSA-N 2 2 336.480 2.106 10 0 EEAELP C[C@H]1Cc2n[nH]cc2C[N@@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473796592 1110581087 /nfs/dbraw/zinc/58/10/87/1110581087.db2.gz KDXVALBPJPMDBM-OXJNMPFZSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@H]1Cc2n[nH]cc2C[N@H+](C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473796592 1110581089 /nfs/dbraw/zinc/58/10/89/1110581089.db2.gz KDXVALBPJPMDBM-OXJNMPFZSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@H]1Cc2n[nH]cc2C[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001473796592 1110581091 /nfs/dbraw/zinc/58/10/91/1110581091.db2.gz KDXVALBPJPMDBM-OXJNMPFZSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@H]1Cc2n[nH]cc2C[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001473796592 1110581093 /nfs/dbraw/zinc/58/10/93/1110581093.db2.gz KDXVALBPJPMDBM-OXJNMPFZSA-N 2 2 340.471 2.041 10 0 EEAELP CC1CCC(C[NH2+][C@H]2C[C@@H](CNC(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001479337388 1110682945 /nfs/dbraw/zinc/68/29/45/1110682945.db2.gz JXQPDVXDWYBQSR-UCUFBTAOSA-N 2 2 332.492 2.273 10 0 EEAELP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001499488783 1112318832 /nfs/dbraw/zinc/31/88/32/1112318832.db2.gz XTONVBGRJMSQBP-RAFUSEJCSA-N 2 2 349.519 2.175 10 0 EEAELP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001499488783 1112318834 /nfs/dbraw/zinc/31/88/34/1112318834.db2.gz XTONVBGRJMSQBP-RAFUSEJCSA-N 2 2 349.519 2.175 10 0 EEAELP COc1cc(C[NH+]2CC(N(C)C(=O)C[N@H+](C)C3CCC3)C2)ccc1C ZINC001499689758 1112444855 /nfs/dbraw/zinc/44/48/55/1112444855.db2.gz QDJXVKTXYFTMAZ-UHFFFAOYSA-N 2 2 345.487 2.131 10 0 EEAELP COc1cc(C[NH+]2CC(N(C)C(=O)C[N@@H+](C)C3CCC3)C2)ccc1C ZINC001499689758 1112444857 /nfs/dbraw/zinc/44/48/57/1112444857.db2.gz QDJXVKTXYFTMAZ-UHFFFAOYSA-N 2 2 345.487 2.131 10 0 EEAELP COCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001501057544 1113183642 /nfs/dbraw/zinc/18/36/42/1113183642.db2.gz CDHDTPLMWCQWAG-HOTGVXAUSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001501619023 1113401241 /nfs/dbraw/zinc/40/12/41/1113401241.db2.gz PEHIZTMJZLDHJX-GVDBMIGSSA-N 2 2 330.476 2.318 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]C[C@@H]2CCCCO2)C1 ZINC001501654678 1113417023 /nfs/dbraw/zinc/41/70/23/1113417023.db2.gz DCEMNRANVGMKMK-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCc2cccc(F)c2)CCC1 ZINC001502011957 1113557788 /nfs/dbraw/zinc/55/77/88/1113557788.db2.gz PWLBAHWWQSERJF-UHFFFAOYSA-N 2 2 344.434 2.353 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001506887764 1114951747 /nfs/dbraw/zinc/95/17/47/1114951747.db2.gz DGTCEKUZFRZZFR-OTLMLMNOSA-N 2 2 330.476 2.286 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CCCCC1 ZINC001507093690 1115104737 /nfs/dbraw/zinc/10/47/37/1115104737.db2.gz YQOQMLUJNGOHCQ-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCCC2CCOCC2)C[C@H]1C ZINC001507330292 1115196377 /nfs/dbraw/zinc/19/63/77/1115196377.db2.gz YYTYEMLDOAEQHQ-RHSMWYFYSA-N 2 2 348.491 2.046 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@H+](CCCC2CCC2)CC1 ZINC001508228335 1115453832 /nfs/dbraw/zinc/45/38/32/1115453832.db2.gz WCVPLWSSXYDXMG-UHFFFAOYSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001508228335 1115453834 /nfs/dbraw/zinc/45/38/34/1115453834.db2.gz WCVPLWSSXYDXMG-UHFFFAOYSA-N 2 2 330.476 2.291 10 0 EEAELP CC(=O)Nc1ccc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2C)nc1 ZINC001543796513 1124135111 /nfs/dbraw/zinc/13/51/11/1124135111.db2.gz DBNAWLVCAPMHAM-UHFFFAOYSA-N 2 2 336.355 2.181 10 0 EEAELP CCc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001568392947 1124462943 /nfs/dbraw/zinc/46/29/43/1124462943.db2.gz ANGAMBCDKXZECJ-HNNXBMFYSA-N 2 2 345.447 2.064 10 0 EEAELP C[C@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001568649753 1124660856 /nfs/dbraw/zinc/66/08/56/1124660856.db2.gz PGLLYDWFJORPQE-NEPJUHHUSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)c1sccc1C[NH+](C)C ZINC001568857996 1124881370 /nfs/dbraw/zinc/88/13/70/1124881370.db2.gz GFMMMLIOTSVXJJ-PLNGDYQASA-N 2 2 348.472 2.182 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)no1 ZINC001568971564 1125009323 /nfs/dbraw/zinc/00/93/23/1125009323.db2.gz MBRMJXDDQQWIIX-XFHJGTJQSA-N 2 2 348.491 2.256 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001569257950 1125200340 /nfs/dbraw/zinc/20/03/40/1125200340.db2.gz NQMAOTGSDZJASA-UHFFFAOYSA-N 2 2 328.460 2.368 10 0 EEAELP CN(CCC[NH2+][C@H]1CCCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001569270924 1125209706 /nfs/dbraw/zinc/20/97/06/1125209706.db2.gz MFKIEKZTULRCNV-SFHVURJKSA-N 2 2 326.444 2.399 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156303185 282327176 /nfs/dbraw/zinc/32/71/76/282327176.db2.gz DUKKOXILLIOUJK-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP O=c1[nH]c2ccccc2cc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129257316 223037511 /nfs/dbraw/zinc/03/75/11/223037511.db2.gz YIZNFPVEJQOIGE-HNNXBMFYSA-N 2 2 327.428 2.095 10 0 EEAELP O=c1[nH]c2ccccc2cc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129257316 223037513 /nfs/dbraw/zinc/03/75/13/223037513.db2.gz YIZNFPVEJQOIGE-HNNXBMFYSA-N 2 2 327.428 2.095 10 0 EEAELP COc1ccc([C@H]([NH2+][C@H](C)CN2CCCC2=O)[C@H]2CCC[NH2+]2)cc1 ZINC000422758043 240212674 /nfs/dbraw/zinc/21/26/74/240212674.db2.gz JZIPWNPAYPKNED-BJZITVGISA-N 2 2 331.460 2.089 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCO[C@H]2CCOC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422872796 240268005 /nfs/dbraw/zinc/26/80/05/240268005.db2.gz IRMNFXFLTSUPCM-FHWLQOOXSA-N 2 2 334.460 2.274 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995878 240321030 /nfs/dbraw/zinc/32/10/30/240321030.db2.gz ZRLRZBJEAYNHTL-XNRPHZJLSA-N 2 2 330.394 2.444 10 0 EEAELP Cn1cc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccc(F)cc21 ZINC000423044307 240340731 /nfs/dbraw/zinc/34/07/31/240340731.db2.gz AFIUVMFGUZFYJI-RTBURBONSA-N 2 2 331.435 2.217 10 0 EEAELP COc1ccc([C@H]([NH2+]CCc2nccnc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423129569 240375864 /nfs/dbraw/zinc/37/58/64/240375864.db2.gz FJXWRDYPZVPCII-MOPGFXCFSA-N 2 2 326.444 2.419 10 0 EEAELP C[C@@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000049557731 214018213 /nfs/dbraw/zinc/01/82/13/214018213.db2.gz BYDOUIGKQWZRQT-NSHDSACASA-N 2 2 328.254 2.317 10 0 EEAELP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)nc(-c2cccnc2)n1 ZINC000267174589 256034538 /nfs/dbraw/zinc/03/45/38/256034538.db2.gz ITNPXRRLIYZNLG-UHFFFAOYSA-N 2 2 340.475 2.285 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000154574602 224274633 /nfs/dbraw/zinc/27/46/33/224274633.db2.gz XERLSZTWUUMNSW-GOEBONIOSA-N 2 2 344.463 2.461 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000154574602 224274637 /nfs/dbraw/zinc/27/46/37/224274637.db2.gz XERLSZTWUUMNSW-GOEBONIOSA-N 2 2 344.463 2.461 10 0 EEAELP CC(C)(C)n1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nn1 ZINC000191412932 152254133 /nfs/dbraw/zinc/25/41/33/152254133.db2.gz XOAGVUOYVGNHMI-UHFFFAOYSA-N 2 2 335.496 2.110 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000263116872 152379225 /nfs/dbraw/zinc/37/92/25/152379225.db2.gz ARNYVKVKJNDGIA-ZBFHGGJFSA-N 2 2 337.414 2.107 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000263116872 152379227 /nfs/dbraw/zinc/37/92/27/152379227.db2.gz ARNYVKVKJNDGIA-ZBFHGGJFSA-N 2 2 337.414 2.107 10 0 EEAELP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000354155953 153142047 /nfs/dbraw/zinc/14/20/47/153142047.db2.gz SRNXVEFGEONHIV-OTYNDTSQSA-N 3 2 343.515 2.228 10 0 EEAELP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000354155953 153142051 /nfs/dbraw/zinc/14/20/51/153142051.db2.gz SRNXVEFGEONHIV-OTYNDTSQSA-N 3 2 343.515 2.228 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357726584 153308289 /nfs/dbraw/zinc/30/82/89/153308289.db2.gz GVMJCWJCUUPOAO-SCTDSRPQSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000357726584 153308292 /nfs/dbraw/zinc/30/82/92/153308292.db2.gz GVMJCWJCUUPOAO-SCTDSRPQSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357726584 153308294 /nfs/dbraw/zinc/30/82/94/153308294.db2.gz GVMJCWJCUUPOAO-SCTDSRPQSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000357726584 153308295 /nfs/dbraw/zinc/30/82/95/153308295.db2.gz GVMJCWJCUUPOAO-SCTDSRPQSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261775585 160415951 /nfs/dbraw/zinc/41/59/51/160415951.db2.gz SSAMTUQNDDWOIO-ZBFHGGJFSA-N 2 2 346.475 2.399 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[N@H+]2CC[C@H]([NH3+])C(C)(C)C2)c(C)c1 ZINC000261775585 160415953 /nfs/dbraw/zinc/41/59/53/160415953.db2.gz SSAMTUQNDDWOIO-ZBFHGGJFSA-N 2 2 346.475 2.399 10 0 EEAELP COCCOc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000092079681 159214063 /nfs/dbraw/zinc/21/40/63/159214063.db2.gz KWNIHJWZQMUTSH-QGZVFWFLSA-N 2 2 348.487 2.397 10 0 EEAELP COCCOc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000092079681 159214065 /nfs/dbraw/zinc/21/40/65/159214065.db2.gz KWNIHJWZQMUTSH-QGZVFWFLSA-N 2 2 348.487 2.397 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccccc2F)CC1 ZINC000109751638 159352438 /nfs/dbraw/zinc/35/24/38/159352438.db2.gz QEPLCUJEPLCKLQ-QGZVFWFLSA-N 2 2 335.467 2.306 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccccc2F)CC1 ZINC000109751638 159352440 /nfs/dbraw/zinc/35/24/40/159352440.db2.gz QEPLCUJEPLCKLQ-QGZVFWFLSA-N 2 2 335.467 2.306 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)CS(C)(=O)=O ZINC000119210109 159374326 /nfs/dbraw/zinc/37/43/26/159374326.db2.gz SVSYTBHDXQYSIZ-SJORKVTESA-N 2 2 330.538 2.111 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)CS(C)(=O)=O ZINC000119210109 159374328 /nfs/dbraw/zinc/37/43/28/159374328.db2.gz SVSYTBHDXQYSIZ-SJORKVTESA-N 2 2 330.538 2.111 10 0 EEAELP C[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245752841 160251041 /nfs/dbraw/zinc/25/10/41/160251041.db2.gz XYYAJPDYMLKZNS-MLGOLLRUSA-N 2 2 327.831 2.150 10 0 EEAELP C[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245752841 160251042 /nfs/dbraw/zinc/25/10/42/160251042.db2.gz XYYAJPDYMLKZNS-MLGOLLRUSA-N 2 2 327.831 2.150 10 0 EEAELP COc1cccc([C@H](CNC(=O)C(C)(C)c2c[nH]c[nH+]2)[NH+](C)C)c1 ZINC000345630736 161317662 /nfs/dbraw/zinc/31/76/62/161317662.db2.gz BWBRISXJUMXAPP-HNNXBMFYSA-N 2 2 330.432 2.115 10 0 EEAELP O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000364822851 165284576 /nfs/dbraw/zinc/28/45/76/165284576.db2.gz TYBAGWOZYHYGIE-DLBZAZTESA-N 2 2 328.522 2.009 10 0 EEAELP O=S1(=O)CC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000364822851 165284578 /nfs/dbraw/zinc/28/45/78/165284578.db2.gz TYBAGWOZYHYGIE-DLBZAZTESA-N 2 2 328.522 2.009 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@]3(CO)CC[C@@H](C)C3)c2cc1C ZINC000275167900 269099978 /nfs/dbraw/zinc/09/99/78/269099978.db2.gz TWVWQDHQUCBOEK-WIBUTAKZSA-N 2 2 345.487 2.497 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@]3(CO)CC[C@@H](C)C3)c2cc1C ZINC000275167900 269099980 /nfs/dbraw/zinc/09/99/80/269099980.db2.gz TWVWQDHQUCBOEK-WIBUTAKZSA-N 2 2 345.487 2.497 10 0 EEAELP Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCn1cc[nH+]c1 ZINC000275456118 269117217 /nfs/dbraw/zinc/11/72/17/269117217.db2.gz JOKPYTBDWRCIGZ-GJZGRUSLSA-N 2 2 337.468 2.192 10 0 EEAELP Cc1ncsc1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000275456118 269117218 /nfs/dbraw/zinc/11/72/18/269117218.db2.gz JOKPYTBDWRCIGZ-GJZGRUSLSA-N 2 2 337.468 2.192 10 0 EEAELP Cc1cn2cc(NC(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)ccc2[nH+]1 ZINC000277371268 269150976 /nfs/dbraw/zinc/15/09/76/269150976.db2.gz FRWAINGFTXDLGF-HNNXBMFYSA-N 2 2 345.447 2.265 10 0 EEAELP Cc1cn2cc(NC(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)ccc2[nH+]1 ZINC000277371268 269150977 /nfs/dbraw/zinc/15/09/77/269150977.db2.gz FRWAINGFTXDLGF-HNNXBMFYSA-N 2 2 345.447 2.265 10 0 EEAELP C[C@H]1CC[N@H+](Cc2c(Br)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000278441535 269232228 /nfs/dbraw/zinc/23/22/28/269232228.db2.gz LSNCRYBRPWQRMI-WCQYABFASA-N 2 2 338.253 2.462 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2c(Br)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000278441535 269232229 /nfs/dbraw/zinc/23/22/29/269232229.db2.gz LSNCRYBRPWQRMI-WCQYABFASA-N 2 2 338.253 2.462 10 0 EEAELP CN(CCC[N@H+](C)Cc1c[nH]c(-c2ccccc2)n1)CC[NH+](C)C ZINC000290167606 275185976 /nfs/dbraw/zinc/18/59/76/275185976.db2.gz MNNVIDLXNKNFMM-UHFFFAOYSA-N 2 2 329.492 2.392 10 0 EEAELP CN(CCC[N@@H+](C)Cc1c[nH]c(-c2ccccc2)n1)CC[NH+](C)C ZINC000290167606 275185977 /nfs/dbraw/zinc/18/59/77/275185977.db2.gz MNNVIDLXNKNFMM-UHFFFAOYSA-N 2 2 329.492 2.392 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292094949 275375375 /nfs/dbraw/zinc/37/53/75/275375375.db2.gz HGIITYXEWMGLTN-OXQOHEQNSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292094949 275375376 /nfs/dbraw/zinc/37/53/76/275375376.db2.gz HGIITYXEWMGLTN-OXQOHEQNSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292094949 275375377 /nfs/dbraw/zinc/37/53/77/275375377.db2.gz HGIITYXEWMGLTN-OXQOHEQNSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292094949 275375378 /nfs/dbraw/zinc/37/53/78/275375378.db2.gz HGIITYXEWMGLTN-OXQOHEQNSA-N 2 2 327.472 2.382 10 0 EEAELP CC[N@H+](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000367134858 276080555 /nfs/dbraw/zinc/08/05/55/276080555.db2.gz CZVUUFSQINVMHJ-HNNXBMFYSA-N 2 2 330.476 2.410 10 0 EEAELP CC[N@@H+](CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000367134858 276080557 /nfs/dbraw/zinc/08/05/57/276080557.db2.gz CZVUUFSQINVMHJ-HNNXBMFYSA-N 2 2 330.476 2.410 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420379425 278209084 /nfs/dbraw/zinc/20/90/84/278209084.db2.gz QYSIUNGRKVUEIS-KBXCAEBGSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420379425 278209085 /nfs/dbraw/zinc/20/90/85/278209085.db2.gz QYSIUNGRKVUEIS-KBXCAEBGSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CS(C)(=O)=O ZINC000377116059 278258666 /nfs/dbraw/zinc/25/86/66/278258666.db2.gz QVUJDOPUBWIOIM-LSDHHAIUSA-N 2 2 339.505 2.080 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CS(C)(=O)=O ZINC000377116059 278258667 /nfs/dbraw/zinc/25/86/67/278258667.db2.gz QVUJDOPUBWIOIM-LSDHHAIUSA-N 2 2 339.505 2.080 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C(=O)OC)cc1 ZINC000453252119 288045202 /nfs/dbraw/zinc/04/52/02/288045202.db2.gz BRAVCBVSNMSLHI-ROUUACIJSA-N 2 2 334.460 2.361 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(C(=O)OC)cc1 ZINC000453252119 288045204 /nfs/dbraw/zinc/04/52/04/288045204.db2.gz BRAVCBVSNMSLHI-ROUUACIJSA-N 2 2 334.460 2.361 10 0 EEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000246186719 290271084 /nfs/dbraw/zinc/27/10/84/290271084.db2.gz CRNBWIWRIDAATM-FPAYPSAMSA-N 2 2 342.487 2.208 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366484740 298139089 /nfs/dbraw/zinc/13/90/89/298139089.db2.gz UPIQIGFAEACJIJ-PHFQPQGRSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366484740 298139093 /nfs/dbraw/zinc/13/90/93/298139093.db2.gz UPIQIGFAEACJIJ-PHFQPQGRSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366484740 298139096 /nfs/dbraw/zinc/13/90/96/298139096.db2.gz UPIQIGFAEACJIJ-PHFQPQGRSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366484740 298139098 /nfs/dbraw/zinc/13/90/98/298139098.db2.gz UPIQIGFAEACJIJ-PHFQPQGRSA-N 2 2 345.531 2.488 10 0 EEAELP Cc1cc(C)c(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(C)[nH+]1 ZINC000455525465 301186997 /nfs/dbraw/zinc/18/69/97/301186997.db2.gz PCWMNILMIYQOKX-AWEZNQCLSA-N 2 2 334.464 2.316 10 0 EEAELP Cc1cc(C)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(C)[nH+]1 ZINC000455525465 301187001 /nfs/dbraw/zinc/18/70/01/301187001.db2.gz PCWMNILMIYQOKX-AWEZNQCLSA-N 2 2 334.464 2.316 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)CC1 ZINC000179903538 311455071 /nfs/dbraw/zinc/45/50/71/311455071.db2.gz PRQGZMNVLGKLAO-UONOGXRCSA-N 2 2 337.439 2.038 10 0 EEAELP CN(c1nc[nH+]c(N)c1Cl)C1CC[NH+](CCc2ccccn2)CC1 ZINC000302881179 311556023 /nfs/dbraw/zinc/55/60/23/311556023.db2.gz HVWOFIDYPHAAHW-UHFFFAOYSA-N 2 2 346.866 2.251 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCCC[NH2+]C3)c[nH+]2)CC1 ZINC000333903884 312211926 /nfs/dbraw/zinc/21/19/26/312211926.db2.gz JGPNADXLXNODNQ-QGZVFWFLSA-N 2 2 345.491 2.259 10 0 EEAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000414905758 313111762 /nfs/dbraw/zinc/11/17/62/313111762.db2.gz OSILGTBQNUCRGV-KBUPBQIOSA-N 2 2 334.464 2.153 10 0 EEAELP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000414936873 313112655 /nfs/dbraw/zinc/11/26/55/313112655.db2.gz BVFQETLXZBBCBV-JOYOIKCWSA-N 2 2 327.222 2.265 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417008962 313392774 /nfs/dbraw/zinc/39/27/74/313392774.db2.gz JMXIAWPMTGPBEA-UHFFFAOYSA-N 2 2 341.459 2.208 10 0 EEAELP Cc1cc(C)c(CNC(=O)NCCC[NH2+]Cc2cccnc2)c[nH+]1 ZINC000418271117 313770739 /nfs/dbraw/zinc/77/07/39/313770739.db2.gz VFEPPISZABDQOW-UHFFFAOYSA-N 2 2 327.432 2.073 10 0 EEAELP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418398025 313803688 /nfs/dbraw/zinc/80/36/88/313803688.db2.gz DRIAQQYUXYMKDO-HOCLYGCPSA-N 2 2 333.480 2.092 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000514641812 316404299 /nfs/dbraw/zinc/40/42/99/316404299.db2.gz MHTTVPRHSPJYHT-YOEHRIQHSA-N 2 2 341.459 2.430 10 0 EEAELP CC(C)CO[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000525165146 317041709 /nfs/dbraw/zinc/04/17/09/317041709.db2.gz DWSHWWRKTUYGSR-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000526993444 317137618 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CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)o1 ZINC000341298984 465099410 /nfs/dbraw/zinc/09/94/10/465099410.db2.gz KEVSRDSKINDHHM-UKRRQHHQSA-N 2 2 330.432 2.417 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+](C2CC2)CC1)Cc1ccccc1Cl ZINC000339251047 465166399 /nfs/dbraw/zinc/16/63/99/465166399.db2.gz LKENANYULNTIMZ-UHFFFAOYSA-N 2 2 335.879 2.469 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+](C2CC2)CC1)Cc1ccccc1Cl ZINC000339251047 465166404 /nfs/dbraw/zinc/16/64/04/465166404.db2.gz LKENANYULNTIMZ-UHFFFAOYSA-N 2 2 335.879 2.469 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000298415927 465389893 /nfs/dbraw/zinc/38/98/93/465389893.db2.gz KWOVYFHFPCBHMN-DOTOQJQBSA-N 2 2 341.459 2.365 10 0 EEAELP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479544 465391031 /nfs/dbraw/zinc/39/10/31/465391031.db2.gz CUVBLSONJPXZKF-WMZOPIPTSA-N 2 2 335.492 2.432 10 0 EEAELP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479544 465391034 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2.306 10 0 EEAELP Cc1ccc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000154508658 462776793 /nfs/dbraw/zinc/77/67/93/462776793.db2.gz OJBLEJNGFFHBPQ-SJPCQFCGSA-N 2 2 347.528 2.368 10 0 EEAELP Cc1ccc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000154508658 462776797 /nfs/dbraw/zinc/77/67/97/462776797.db2.gz OJBLEJNGFFHBPQ-SJPCQFCGSA-N 2 2 347.528 2.368 10 0 EEAELP CC(C)(C)n1cc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)cn1 ZINC000132288642 462848490 /nfs/dbraw/zinc/84/84/90/462848490.db2.gz ZWGHEVDKSWFLMG-UHFFFAOYSA-N 2 2 333.524 2.242 10 0 EEAELP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccnc1 ZINC000091316472 462872358 /nfs/dbraw/zinc/87/23/58/462872358.db2.gz AOOPLWUQBKFJFK-MSOLQXFVSA-N 2 2 332.492 2.311 10 0 EEAELP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccnc1 ZINC000091316472 462872365 /nfs/dbraw/zinc/87/23/65/462872365.db2.gz AOOPLWUQBKFJFK-MSOLQXFVSA-N 2 2 332.492 2.311 10 0 EEAELP Cc1cc(N2CC[NH+](Cc3nc4c(s3)CCC4)CC2)nc(C)[nH+]1 ZINC000095986612 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WSZPWVBWRIVNEI-UONOGXRCSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123659164 463359486 /nfs/dbraw/zinc/35/94/86/463359486.db2.gz WSZPWVBWRIVNEI-UONOGXRCSA-N 2 2 337.430 2.448 10 0 EEAELP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123754371 463365300 /nfs/dbraw/zinc/36/53/00/463365300.db2.gz GJEYLTGNCSUQNF-MRXNPFEDSA-N 2 2 326.444 2.234 10 0 EEAELP CNC(=O)c1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123754371 463365301 /nfs/dbraw/zinc/36/53/01/463365301.db2.gz GJEYLTGNCSUQNF-MRXNPFEDSA-N 2 2 326.444 2.234 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCCOC2CCCCC2)CC[N@@H+]1C ZINC000123771364 463367538 /nfs/dbraw/zinc/36/75/38/463367538.db2.gz UBLXFSVKYCSXRB-IRXDYDNUSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCCOC2CCCCC2)CC[N@H+]1C ZINC000123771364 463367542 /nfs/dbraw/zinc/36/75/42/463367542.db2.gz UBLXFSVKYCSXRB-IRXDYDNUSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCCCOC2CCCCC2)CC[NH+]1C ZINC000123771364 463367545 /nfs/dbraw/zinc/36/75/45/463367545.db2.gz UBLXFSVKYCSXRB-IRXDYDNUSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCCCOC2CCCCC2)CC[NH+]1C ZINC000123771364 463367550 /nfs/dbraw/zinc/36/75/50/463367550.db2.gz UBLXFSVKYCSXRB-IRXDYDNUSA-N 2 2 339.524 2.257 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2nc(C(C)C)no2)nc[nH+]1 ZINC000105797849 463465764 /nfs/dbraw/zinc/46/57/64/463465764.db2.gz ZEXOTSOGUHDASU-STQMWFEESA-N 2 2 345.451 2.344 10 0 EEAELP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000072274099 463491809 /nfs/dbraw/zinc/49/18/09/463491809.db2.gz YNWSMZYHQSCXNK-WMZOPIPTSA-N 2 2 326.444 2.397 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000105897166 463492146 /nfs/dbraw/zinc/49/21/46/463492146.db2.gz IBVYLHJSBXNGKO-WBVHZDCISA-N 2 2 330.407 2.448 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000105897166 463492152 /nfs/dbraw/zinc/49/21/52/463492152.db2.gz IBVYLHJSBXNGKO-WBVHZDCISA-N 2 2 330.407 2.448 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000298549570 465429483 /nfs/dbraw/zinc/42/94/83/465429483.db2.gz XXCMSXRXUJBYHL-UHFFFAOYSA-N 2 2 341.459 2.239 10 0 EEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000106120697 463506060 /nfs/dbraw/zinc/50/60/60/463506060.db2.gz XQZVOQLOTYCOMU-LJQANCHMSA-N 2 2 335.467 2.053 10 0 EEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000106120697 463506064 /nfs/dbraw/zinc/50/60/64/463506064.db2.gz XQZVOQLOTYCOMU-LJQANCHMSA-N 2 2 335.467 2.053 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)Nc1ccc(Cl)cn1 ZINC000084069711 463575979 /nfs/dbraw/zinc/57/59/79/463575979.db2.gz ZRRNPSJIDDOZPU-NWDGAFQWSA-N 2 2 333.823 2.426 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000073656651 463639707 /nfs/dbraw/zinc/63/97/07/463639707.db2.gz YWFWXSQSAUNRKC-MRXNPFEDSA-N 2 2 333.480 2.163 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000073656651 463639712 /nfs/dbraw/zinc/63/97/12/463639712.db2.gz YWFWXSQSAUNRKC-MRXNPFEDSA-N 2 2 333.480 2.163 10 0 EEAELP Cc1[nH+]ccn1-c1cc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)ccn1 ZINC000170597550 463679439 /nfs/dbraw/zinc/67/94/39/463679439.db2.gz PCASXJFFCNTKQM-IBGZPJMESA-N 2 2 349.438 2.495 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177473782 463713564 /nfs/dbraw/zinc/71/35/64/463713564.db2.gz OBGKKENFQPPZHI-QGZVFWFLSA-N 2 2 333.480 2.179 10 0 EEAELP O=C(CC[NH+]1C[C@@H]2CCCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000177549585 463734927 /nfs/dbraw/zinc/73/49/27/463734927.db2.gz DTHXBNNVVKXIIK-ROUUACIJSA-N 2 2 342.487 2.242 10 0 EEAELP c1csc(-c2noc([C@@H]3COCC[N@H+]3CC3CC[NH2+]CC3)n2)c1 ZINC000261671110 463822306 /nfs/dbraw/zinc/82/23/06/463822306.db2.gz GFXYEOYJROUVQQ-ZDUSSCGKSA-N 2 2 334.445 2.171 10 0 EEAELP c1csc(-c2noc([C@@H]3COCC[N@@H+]3CC3CC[NH2+]CC3)n2)c1 ZINC000261671110 463822313 /nfs/dbraw/zinc/82/23/13/463822313.db2.gz GFXYEOYJROUVQQ-ZDUSSCGKSA-N 2 2 334.445 2.171 10 0 EEAELP C[N@@H+]1CCO[C@H](CSCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000579591180 468380662 /nfs/dbraw/zinc/38/06/62/468380662.db2.gz WNSODFAANSKJKY-SFHVURJKSA-N 2 2 336.501 2.083 10 0 EEAELP C[N@H+]1CCO[C@H](CSCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000579591180 468380667 /nfs/dbraw/zinc/38/06/67/468380667.db2.gz WNSODFAANSKJKY-SFHVURJKSA-N 2 2 336.501 2.083 10 0 EEAELP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000261860998 463880615 /nfs/dbraw/zinc/88/06/15/463880615.db2.gz CBRBXWKMXYSQFY-MANSERQUSA-N 2 2 347.503 2.472 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)N2CCCC2)o1 ZINC000261860998 463880619 /nfs/dbraw/zinc/88/06/19/463880619.db2.gz CBRBXWKMXYSQFY-MANSERQUSA-N 2 2 347.503 2.472 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3cnn4-c3ccccc3)C[C@@H]21 ZINC000262126470 463953596 /nfs/dbraw/zinc/95/35/96/463953596.db2.gz CQEGZGGUYUUATH-RRQGHBQHSA-N 2 2 334.427 2.379 10 0 EEAELP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000287714758 463978432 /nfs/dbraw/zinc/97/84/32/463978432.db2.gz OHEHBJZFWZYNOT-OLZOCXBDSA-N 2 2 326.322 2.467 10 0 EEAELP c1[nH]nc2c1C[C@H]([NH2+]CC1(C[NH+]3CCOCC3)CCCCC1)CC2 ZINC000178930134 464018467 /nfs/dbraw/zinc/01/84/67/464018467.db2.gz PVIPYBUJOKJZCX-QGZVFWFLSA-N 2 2 332.492 2.139 10 0 EEAELP NC(=O)[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515863 464063696 /nfs/dbraw/zinc/06/36/96/464063696.db2.gz HJZDQGXONQRJDH-GUYCJALGSA-N 2 2 328.391 2.181 10 0 EEAELP NC(=O)[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515863 464063703 /nfs/dbraw/zinc/06/37/03/464063703.db2.gz HJZDQGXONQRJDH-GUYCJALGSA-N 2 2 328.391 2.181 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195515710 464064212 /nfs/dbraw/zinc/06/42/12/464064212.db2.gz CLPCZHPFIWNCLI-HNNXBMFYSA-N 2 2 340.427 2.463 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000195515710 464064216 /nfs/dbraw/zinc/06/42/16/464064216.db2.gz CLPCZHPFIWNCLI-HNNXBMFYSA-N 2 2 340.427 2.463 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000226044208 464183884 /nfs/dbraw/zinc/18/38/84/464183884.db2.gz JAWLTNSIYHVKKP-NWDGAFQWSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000226044208 464183887 /nfs/dbraw/zinc/18/38/87/464183887.db2.gz JAWLTNSIYHVKKP-NWDGAFQWSA-N 2 2 333.259 2.417 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cncc(F)c2)nc[nH+]1 ZINC000180565249 464337896 /nfs/dbraw/zinc/33/78/96/464337896.db2.gz KNQJUQDODLBBET-DOMZBBRYSA-N 2 2 330.411 2.372 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ncccn1 ZINC000180658392 464362490 /nfs/dbraw/zinc/36/24/90/464362490.db2.gz GSAYPQMCPCGAQU-UONOGXRCSA-N 2 2 336.399 2.340 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(COC)c2)nc[nH+]1 ZINC000174360316 464398602 /nfs/dbraw/zinc/39/86/02/464398602.db2.gz DMIWPZBWRHHSGO-QGZVFWFLSA-N 2 2 341.459 2.423 10 0 EEAELP C[NH+]1CCC(CNC(=O)Cc2cccc(O)c2)([NH+]2CCCCC2)CC1 ZINC000174504051 464416660 /nfs/dbraw/zinc/41/66/60/464416660.db2.gz LTGMLKXTFBSTAG-UHFFFAOYSA-N 2 2 345.487 2.001 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246882880 464630858 /nfs/dbraw/zinc/63/08/58/464630858.db2.gz IGVKUYSEGRSGIR-GDBMZVCRSA-N 2 2 328.416 2.413 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246882880 464630864 /nfs/dbraw/zinc/63/08/64/464630864.db2.gz IGVKUYSEGRSGIR-GDBMZVCRSA-N 2 2 328.416 2.413 10 0 EEAELP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000183334947 464852662 /nfs/dbraw/zinc/85/26/62/464852662.db2.gz VMEZAPNSQOJNOU-OAHLLOKOSA-N 2 2 338.455 2.324 10 0 EEAELP C[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@H+]1CCc2ccccc2C1 ZINC000183334947 464852666 /nfs/dbraw/zinc/85/26/66/464852666.db2.gz VMEZAPNSQOJNOU-OAHLLOKOSA-N 2 2 338.455 2.324 10 0 EEAELP c1nc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)co1 ZINC000192288532 464899435 /nfs/dbraw/zinc/89/94/35/464899435.db2.gz IEYLMLUPKYXKDS-UHFFFAOYSA-N 2 2 328.460 2.362 10 0 EEAELP Cc1nc(N2CC[NH+](CCCCC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000183794852 464912026 /nfs/dbraw/zinc/91/20/26/464912026.db2.gz WFHVOCUDVRXJCK-UHFFFAOYSA-N 2 2 334.464 2.419 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000330157872 465552615 /nfs/dbraw/zinc/55/26/15/465552615.db2.gz ZMMGAONWTXPFHI-YOEHRIQHSA-N 2 2 342.447 2.309 10 0 EEAELP CN(CC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)C1CC[NH+](C)CC1 ZINC000349071276 465949381 /nfs/dbraw/zinc/94/93/81/465949381.db2.gz FMUIMEMPLQRSCJ-UHFFFAOYSA-N 3 2 347.532 2.392 10 0 EEAELP CN(CC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)C1CC[NH+](C)CC1 ZINC000349071276 465949395 /nfs/dbraw/zinc/94/93/95/465949395.db2.gz FMUIMEMPLQRSCJ-UHFFFAOYSA-N 3 2 347.532 2.392 10 0 EEAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000569332472 468474543 /nfs/dbraw/zinc/47/45/43/468474543.db2.gz SHMZBNIEFVFVLE-INIZCTEOSA-N 2 2 346.475 2.139 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3ccc4ncccc4c3)CC2)cc[nH+]1 ZINC000353742724 466112261 /nfs/dbraw/zinc/11/22/61/466112261.db2.gz AMFMMMLTGHCRNT-UHFFFAOYSA-N 2 2 348.454 2.413 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@H]21 ZINC000361686305 466203122 /nfs/dbraw/zinc/20/31/22/466203122.db2.gz JFSUDZBZELXWBL-IEBWSBKVSA-N 2 2 340.471 2.039 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@H]21 ZINC000361686305 466203125 /nfs/dbraw/zinc/20/31/25/466203125.db2.gz JFSUDZBZELXWBL-IEBWSBKVSA-N 2 2 340.471 2.039 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@H]21 ZINC000361686305 466203130 /nfs/dbraw/zinc/20/31/30/466203130.db2.gz JFSUDZBZELXWBL-IEBWSBKVSA-N 2 2 340.471 2.039 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@H]21 ZINC000361686305 466203137 /nfs/dbraw/zinc/20/31/37/466203137.db2.gz JFSUDZBZELXWBL-IEBWSBKVSA-N 2 2 340.471 2.039 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC[NH+](CCCn2ccnc2)CC1 ZINC000361990167 466464741 /nfs/dbraw/zinc/46/47/41/466464741.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 3 2 344.507 2.346 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC[NH+](CCCn2ccnc2)CC1 ZINC000361990167 466464746 /nfs/dbraw/zinc/46/47/46/466464746.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 3 2 344.507 2.346 10 0 EEAELP C[NH+](CCCn1cc[nH+]c1)[C@H]1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000361990167 466464756 /nfs/dbraw/zinc/46/47/56/466464756.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 3 2 344.507 2.346 10 0 EEAELP C[NH+](CCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCCn2ccnc2)CC1 ZINC000361990167 466464765 /nfs/dbraw/zinc/46/47/65/466464765.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 3 2 344.507 2.346 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000361990167 466464771 /nfs/dbraw/zinc/46/47/71/466464771.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 4 2 344.507 2.346 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000361990167 466464777 /nfs/dbraw/zinc/46/47/77/466464777.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 4 2 344.507 2.346 10 0 EEAELP C[NH+](CCCn1cc[nH+]c1)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000361990167 466464786 /nfs/dbraw/zinc/46/47/86/466464786.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 4 2 344.507 2.346 10 0 EEAELP C[NH+](CCCn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000361990167 466464794 /nfs/dbraw/zinc/46/47/94/466464794.db2.gz IKMOFNZBQDWIIG-IBGZPJMESA-N 4 2 344.507 2.346 10 0 EEAELP COCC1([NH2+]C2CC[NH+](CCCC(=O)OC)CC2)CCCCC1 ZINC000597255626 468498399 /nfs/dbraw/zinc/49/83/99/468498399.db2.gz XHZIEEXHSBBCEA-UHFFFAOYSA-N 2 2 326.481 2.343 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000372877111 466626700 /nfs/dbraw/zinc/62/67/00/466626700.db2.gz CTPCGMAYUJHVGR-KRWDZBQOSA-N 2 2 347.507 2.412 10 0 EEAELP Cn1c(CCCNc2nc(N)[nH+]c3c2CCCC3)[nH+]c2ccccc21 ZINC000645183705 471168101 /nfs/dbraw/zinc/16/81/01/471168101.db2.gz PPGLHKKIHDVKTB-UHFFFAOYSA-N 2 2 336.443 2.291 10 0 EEAELP CCOc1c(F)cccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365586073 466872266 /nfs/dbraw/zinc/87/22/66/466872266.db2.gz SNOZWKMAYGJCHA-CQSZACIVSA-N 2 2 349.450 2.123 10 0 EEAELP CCOc1c(F)cccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365586073 466872272 /nfs/dbraw/zinc/87/22/72/466872272.db2.gz SNOZWKMAYGJCHA-CQSZACIVSA-N 2 2 349.450 2.123 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952027 467000603 /nfs/dbraw/zinc/00/06/03/467000603.db2.gz ZLEBBAUCYRGROR-TUKIKUTGSA-N 2 2 342.846 2.261 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952027 467000606 /nfs/dbraw/zinc/00/06/06/467000606.db2.gz ZLEBBAUCYRGROR-TUKIKUTGSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1c[nH+]ccc1N ZINC000424377244 467036114 /nfs/dbraw/zinc/03/61/14/467036114.db2.gz MJPBGYAKGGLJAU-OAHLLOKOSA-N 2 2 326.444 2.284 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@H](F)C3)CC2)CC1 ZINC000424620929 467077484 /nfs/dbraw/zinc/07/74/84/467077484.db2.gz ADETVCMYIMHFLU-GJZGRUSLSA-N 2 2 325.472 2.190 10 0 EEAELP COC(=O)COc1c(C)cc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1C ZINC000377631555 467100847 /nfs/dbraw/zinc/10/08/47/467100847.db2.gz VALLDQUHZUKASR-UHFFFAOYSA-N 2 2 332.444 2.135 10 0 EEAELP COC(=O)COc1c(C)cc(C[N@H+]2CC[NH+]3CCC2CC3)cc1C ZINC000377631555 467100849 /nfs/dbraw/zinc/10/08/49/467100849.db2.gz VALLDQUHZUKASR-UHFFFAOYSA-N 2 2 332.444 2.135 10 0 EEAELP CCC[NH2+]CCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000418485579 467117824 /nfs/dbraw/zinc/11/78/24/467117824.db2.gz DBFJEPAGHQXJPI-UHFFFAOYSA-N 2 2 338.521 2.137 10 0 EEAELP Cc1ccc([C@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000377977409 467174896 /nfs/dbraw/zinc/17/48/96/467174896.db2.gz MSDQSEAMDSJFDF-YJBOKZPZSA-N 2 2 341.459 2.178 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000378075690 467192584 /nfs/dbraw/zinc/19/25/84/467192584.db2.gz HDCABUOGSOZVEL-LJQANCHMSA-N 2 2 341.459 2.274 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000378075690 467192586 /nfs/dbraw/zinc/19/25/86/467192586.db2.gz HDCABUOGSOZVEL-LJQANCHMSA-N 2 2 341.459 2.274 10 0 EEAELP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H](O)C(F)(F)F ZINC000428396230 467227964 /nfs/dbraw/zinc/22/79/64/467227964.db2.gz DUMAOQKPYSKXPN-CQSZACIVSA-N 2 2 328.338 2.321 10 0 EEAELP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H](O)C(F)(F)F ZINC000428396230 467227967 /nfs/dbraw/zinc/22/79/67/467227967.db2.gz DUMAOQKPYSKXPN-CQSZACIVSA-N 2 2 328.338 2.321 10 0 EEAELP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000386557692 467390839 /nfs/dbraw/zinc/39/08/39/467390839.db2.gz UYIQGEAHRZLAGK-OWCLPIDISA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000386557692 467390841 /nfs/dbraw/zinc/39/08/41/467390841.db2.gz UYIQGEAHRZLAGK-OWCLPIDISA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)nc[nH+]c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000386557692 467390844 /nfs/dbraw/zinc/39/08/44/467390844.db2.gz UYIQGEAHRZLAGK-OWCLPIDISA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)nc[nH+]c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000386557692 467390845 /nfs/dbraw/zinc/39/08/45/467390845.db2.gz UYIQGEAHRZLAGK-OWCLPIDISA-N 2 2 339.443 2.390 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(F)(c3ccccc3)CC2)CC1 ZINC000434499924 467403887 /nfs/dbraw/zinc/40/38/87/467403887.db2.gz OPYCLPVHXATRGO-KRWDZBQOSA-N 2 2 347.478 2.500 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[NH2+][C@@H]3CCC[NH2+]C3)c2C)cc1 ZINC000414875098 467444025 /nfs/dbraw/zinc/44/40/25/467444025.db2.gz ZQYLNYIWFZCXRQ-QGZVFWFLSA-N 2 2 328.460 2.398 10 0 EEAELP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414930861 467453039 /nfs/dbraw/zinc/45/30/39/467453039.db2.gz BEKTWNKVKWZLOJ-SMDDNHRTSA-N 2 2 330.881 2.221 10 0 EEAELP FC1(F)CC[NH2+]C[C@H]1NCc1c[nH+]c2ccc(Br)cn12 ZINC000415006505 467466155 /nfs/dbraw/zinc/46/61/55/467466155.db2.gz TVPMOWLOGNAFPC-LLVKDONJSA-N 2 2 345.191 2.184 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454315847 467583916 /nfs/dbraw/zinc/58/39/16/467583916.db2.gz HCOGWWXQHHCOPJ-IYBDPMFKSA-N 2 2 335.496 2.460 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454315847 467583918 /nfs/dbraw/zinc/58/39/18/467583918.db2.gz HCOGWWXQHHCOPJ-IYBDPMFKSA-N 2 2 335.496 2.460 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000454341618 467586529 /nfs/dbraw/zinc/58/65/29/467586529.db2.gz QXOYAHDEURNZGO-UHFFFAOYSA-N 2 2 338.415 2.147 10 0 EEAELP Cc1nnc(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[nH]1 ZINC000449232832 467624598 /nfs/dbraw/zinc/62/45/98/467624598.db2.gz WIBGBFJGUXONLK-OAHLLOKOSA-N 2 2 327.476 2.341 10 0 EEAELP Cc1nc(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n[nH]1 ZINC000449232832 467624599 /nfs/dbraw/zinc/62/45/99/467624599.db2.gz WIBGBFJGUXONLK-OAHLLOKOSA-N 2 2 327.476 2.341 10 0 EEAELP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1F ZINC000449397069 467638237 /nfs/dbraw/zinc/63/82/37/467638237.db2.gz ULWIMVANJFYITJ-DOTOQJQBSA-N 2 2 338.467 2.449 10 0 EEAELP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1F ZINC000449397069 467638240 /nfs/dbraw/zinc/63/82/40/467638240.db2.gz ULWIMVANJFYITJ-DOTOQJQBSA-N 2 2 338.467 2.449 10 0 EEAELP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528730245 467742703 /nfs/dbraw/zinc/74/27/03/467742703.db2.gz SLNGRLBRLHZWCB-HKUYNNGSSA-N 2 2 332.488 2.338 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000457439507 467823667 /nfs/dbraw/zinc/82/36/67/467823667.db2.gz KECXYPYTOOEVGM-MRXNPFEDSA-N 2 2 345.447 2.082 10 0 EEAELP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C[C@H]1COCCO1 ZINC000450768758 467904686 /nfs/dbraw/zinc/90/46/86/467904686.db2.gz WXATXQAXUXLSOO-OALUTQOASA-N 2 2 332.488 2.464 10 0 EEAELP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C[C@H]1COCCO1 ZINC000450768758 467904690 /nfs/dbraw/zinc/90/46/90/467904690.db2.gz WXATXQAXUXLSOO-OALUTQOASA-N 2 2 332.488 2.464 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518179224 468107772 /nfs/dbraw/zinc/10/77/72/468107772.db2.gz OSUDOBPFYSNXBH-MELADBBJSA-N 2 2 337.414 2.043 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518179224 468107774 /nfs/dbraw/zinc/10/77/74/468107774.db2.gz OSUDOBPFYSNXBH-MELADBBJSA-N 2 2 337.414 2.043 10 0 EEAELP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](c4[nH+]ccn4C)C3)no2)cc1 ZINC000534581358 468266067 /nfs/dbraw/zinc/26/60/67/468266067.db2.gz HQUYNOBWMHKVEO-AWEZNQCLSA-N 2 2 339.399 2.468 10 0 EEAELP COc1ccc(-c2nc(C[N@H+]3CC[C@H](c4[nH+]ccn4C)C3)no2)cc1 ZINC000534581358 468266070 /nfs/dbraw/zinc/26/60/70/468266070.db2.gz HQUYNOBWMHKVEO-AWEZNQCLSA-N 2 2 339.399 2.468 10 0 EEAELP Cc1c[nH+]c(C)nc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000582252008 468514782 /nfs/dbraw/zinc/51/47/82/468514782.db2.gz RAMUSFWTHVPRHQ-UHFFFAOYSA-N 2 2 340.427 2.187 10 0 EEAELP O=C(NCC[C@H]1CCC[NH2+]C1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000557113456 468613118 /nfs/dbraw/zinc/61/31/18/468613118.db2.gz FJJBSVREHQNRRR-GFCCVEGCSA-N 2 2 335.839 2.177 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570824990 468699593 /nfs/dbraw/zinc/69/95/93/468699593.db2.gz RZGCGSYGCVGQTP-SJLPKXTDSA-N 2 2 329.488 2.355 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570824990 468699598 /nfs/dbraw/zinc/69/95/98/468699598.db2.gz RZGCGSYGCVGQTP-SJLPKXTDSA-N 2 2 329.488 2.355 10 0 EEAELP C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000571300408 468769219 /nfs/dbraw/zinc/76/92/19/468769219.db2.gz BDLUTMCYESJZEN-NWDGAFQWSA-N 2 2 335.839 2.175 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000562273159 468928715 /nfs/dbraw/zinc/92/87/15/468928715.db2.gz FREPDQQNHCABFF-KRWDZBQOSA-N 2 2 345.491 2.224 10 0 EEAELP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000562273159 468928720 /nfs/dbraw/zinc/92/87/20/468928720.db2.gz FREPDQQNHCABFF-KRWDZBQOSA-N 2 2 345.491 2.224 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000584872765 468951959 /nfs/dbraw/zinc/95/19/59/468951959.db2.gz HDAREZQLZSDUAC-FUHWJXTLSA-N 2 2 326.444 2.395 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000584872765 468951962 /nfs/dbraw/zinc/95/19/62/468951962.db2.gz HDAREZQLZSDUAC-FUHWJXTLSA-N 2 2 326.444 2.395 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000599307791 469204089 /nfs/dbraw/zinc/20/40/89/469204089.db2.gz ZNCWDLIJABFTEI-QRQLOZEOSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000599307791 469204091 /nfs/dbraw/zinc/20/40/91/469204091.db2.gz ZNCWDLIJABFTEI-QRQLOZEOSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000599307791 469204096 /nfs/dbraw/zinc/20/40/96/469204096.db2.gz ZNCWDLIJABFTEI-QRQLOZEOSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000599307791 469204097 /nfs/dbraw/zinc/20/40/97/469204097.db2.gz ZNCWDLIJABFTEI-QRQLOZEOSA-N 2 2 348.487 2.285 10 0 EEAELP C[N@H+](CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCSC1 ZINC000563332774 469229327 /nfs/dbraw/zinc/22/93/27/469229327.db2.gz FDIPXIHJCKRCHG-JYJNAYRXSA-N 2 2 348.516 2.358 10 0 EEAELP C[N@@H+](CC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCSC1 ZINC000563332774 469229334 /nfs/dbraw/zinc/22/93/34/469229334.db2.gz FDIPXIHJCKRCHG-JYJNAYRXSA-N 2 2 348.516 2.358 10 0 EEAELP COC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000629521905 469571508 /nfs/dbraw/zinc/57/15/08/469571508.db2.gz SYCLWNBRUBMXFP-AWEZNQCLSA-N 2 2 332.366 2.490 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629584400 469584739 /nfs/dbraw/zinc/58/47/39/469584739.db2.gz QJBXYKNAAFRTBT-ACZWYYKOSA-N 2 2 329.488 2.226 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000629584400 469584741 /nfs/dbraw/zinc/58/47/41/469584741.db2.gz QJBXYKNAAFRTBT-ACZWYYKOSA-N 2 2 329.488 2.226 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000629605043 469590325 /nfs/dbraw/zinc/59/03/25/469590325.db2.gz YMCFLSZKOGKWPG-OALUTQOASA-N 2 2 346.471 2.235 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000629605043 469590329 /nfs/dbraw/zinc/59/03/29/469590329.db2.gz YMCFLSZKOGKWPG-OALUTQOASA-N 2 2 346.471 2.235 10 0 EEAELP COc1cccc([C@H]2[C@H](NC(=O)C3([NH+](C)C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000613313540 469685353 /nfs/dbraw/zinc/68/53/53/469685353.db2.gz OGBNMMXXAICXTB-MSOLQXFVSA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@H]2[C@H](NC(=O)C3([NH+](C)C)CC3)CC[N@H+]2C2CC2)c1 ZINC000613313540 469685358 /nfs/dbraw/zinc/68/53/58/469685358.db2.gz OGBNMMXXAICXTB-MSOLQXFVSA-N 2 2 343.471 2.183 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000607519732 469695884 /nfs/dbraw/zinc/69/58/84/469695884.db2.gz FYUOZPAHPSFPJV-WBVHZDCISA-N 2 2 328.460 2.374 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@H](C)C1 ZINC000607519732 469695888 /nfs/dbraw/zinc/69/58/88/469695888.db2.gz FYUOZPAHPSFPJV-WBVHZDCISA-N 2 2 328.460 2.374 10 0 EEAELP C[NH+]1CCC(CNC(=O)C2(C(F)(F)F)CC2)([NH+]2CCCCC2)CC1 ZINC000607876322 469719402 /nfs/dbraw/zinc/71/94/02/469719402.db2.gz JCSXMMYUUGPGOZ-UHFFFAOYSA-N 2 2 347.425 2.395 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000617551773 469722664 /nfs/dbraw/zinc/72/26/64/469722664.db2.gz ZEMQZYJUEFNRPO-RYUDHWBXSA-N 2 2 332.370 2.009 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1CC[N@@H+](C)C1 ZINC000617551773 469722667 /nfs/dbraw/zinc/72/26/67/469722667.db2.gz ZEMQZYJUEFNRPO-RYUDHWBXSA-N 2 2 332.370 2.009 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000617765551 469795929 /nfs/dbraw/zinc/79/59/29/469795929.db2.gz GDILFFYVCDMLBY-UHFFFAOYSA-N 2 2 348.274 2.312 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(O)cc(Cl)cc1Cl ZINC000617765551 469795933 /nfs/dbraw/zinc/79/59/33/469795933.db2.gz GDILFFYVCDMLBY-UHFFFAOYSA-N 2 2 348.274 2.312 10 0 EEAELP Cn1cc(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617765896 469797443 /nfs/dbraw/zinc/79/74/43/469797443.db2.gz VERINJUTETXBBQ-UHFFFAOYSA-N 2 2 344.503 2.111 10 0 EEAELP Cn1cc(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617765896 469797450 /nfs/dbraw/zinc/79/74/50/469797450.db2.gz VERINJUTETXBBQ-UHFFFAOYSA-N 2 2 344.503 2.111 10 0 EEAELP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1c(F)cccc1F ZINC000617765821 469797532 /nfs/dbraw/zinc/79/75/32/469797532.db2.gz RIXWEWHRVYUBPW-CYBMUJFWSA-N 2 2 327.419 2.068 10 0 EEAELP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1c(F)cccc1F ZINC000617765821 469797535 /nfs/dbraw/zinc/79/75/35/469797535.db2.gz RIXWEWHRVYUBPW-CYBMUJFWSA-N 2 2 327.419 2.068 10 0 EEAELP Cc1oc(-c2ccccc2)nc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767938 469799396 /nfs/dbraw/zinc/79/93/96/469799396.db2.gz IVJIZFJRCRXLRH-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP Cc1oc(-c2ccccc2)nc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767938 469799397 /nfs/dbraw/zinc/79/93/97/469799397.db2.gz IVJIZFJRCRXLRH-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP C[C@H]1CC[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[NH2+]1 ZINC000627047107 469801522 /nfs/dbraw/zinc/80/15/22/469801522.db2.gz ODASEMUTQIEFNR-STQMWFEESA-N 2 2 347.850 2.465 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)CC2 ZINC000624083775 469836074 /nfs/dbraw/zinc/83/60/74/469836074.db2.gz BXMWNJXRQQAGGC-IAGOWNOFSA-N 2 2 332.492 2.381 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccccc1 ZINC000608680539 469859108 /nfs/dbraw/zinc/85/91/08/469859108.db2.gz PEXCMQCFZCRQPA-QGZVFWFLSA-N 2 2 341.459 2.097 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)NCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000608680539 469859114 /nfs/dbraw/zinc/85/91/14/469859114.db2.gz PEXCMQCFZCRQPA-QGZVFWFLSA-N 2 2 341.459 2.097 10 0 EEAELP CC[C@@H]1CN(C(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C[C@H](C)[NH2+]1 ZINC000620897910 469943489 /nfs/dbraw/zinc/94/34/89/469943489.db2.gz GBNXNCHNNUPZAW-CMPLNLGQSA-N 2 2 336.386 2.222 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C(F)F)C2CCCCC2)CC1 ZINC000621405461 470043630 /nfs/dbraw/zinc/04/36/30/470043630.db2.gz URUYDOPPYVFOBR-UKRRQHHQSA-N 2 2 331.451 2.343 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000631180537 470088053 /nfs/dbraw/zinc/08/80/53/470088053.db2.gz FALSIQGDUKTJHC-LJQANCHMSA-N 2 2 348.487 2.304 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000631277261 470108647 /nfs/dbraw/zinc/10/86/47/470108647.db2.gz XXVRLWOBQSKZNB-GOSISDBHSA-N 2 2 349.906 2.464 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1Cc2ccc(Cl)cc21 ZINC000631277261 470108651 /nfs/dbraw/zinc/10/86/51/470108651.db2.gz XXVRLWOBQSKZNB-GOSISDBHSA-N 2 2 349.906 2.464 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc(C(F)F)c1 ZINC000625561158 470164186 /nfs/dbraw/zinc/16/41/86/470164186.db2.gz RIFWNUAZZLGSHB-UHFFFAOYSA-N 2 2 329.391 2.315 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc(C(F)F)c1 ZINC000625561158 470164187 /nfs/dbraw/zinc/16/41/87/470164187.db2.gz RIFWNUAZZLGSHB-UHFFFAOYSA-N 2 2 329.391 2.315 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631832595 470186282 /nfs/dbraw/zinc/18/62/82/470186282.db2.gz JSRCBLMJSFBKEM-KRWDZBQOSA-N 2 2 333.476 2.247 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631832595 470186283 /nfs/dbraw/zinc/18/62/83/470186283.db2.gz JSRCBLMJSFBKEM-KRWDZBQOSA-N 2 2 333.476 2.247 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634700299 470281107 /nfs/dbraw/zinc/28/11/07/470281107.db2.gz WWZUTEHOKVUNNG-QFBILLFUSA-N 2 2 331.460 2.236 10 0 EEAELP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633197050 470381816 /nfs/dbraw/zinc/38/18/16/470381816.db2.gz OPIBADFKPVVYIJ-ROUUACIJSA-N 2 2 340.427 2.012 10 0 EEAELP C[N@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633197050 470381819 /nfs/dbraw/zinc/38/18/19/470381819.db2.gz OPIBADFKPVVYIJ-ROUUACIJSA-N 2 2 340.427 2.012 10 0 EEAELP C[C@H](CC[NH2+][C@H]1CCCS(=O)(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000634966196 470385264 /nfs/dbraw/zinc/38/52/64/470385264.db2.gz FQDGMNJXIGVDKC-AEFFLSMTSA-N 2 2 338.517 2.454 10 0 EEAELP C[C@H](CC[NH2+][C@H]1CCCS(=O)(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000634966196 470385270 /nfs/dbraw/zinc/38/52/70/470385270.db2.gz FQDGMNJXIGVDKC-AEFFLSMTSA-N 2 2 338.517 2.454 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641860208 470502195 /nfs/dbraw/zinc/50/21/95/470502195.db2.gz TYCHMOXBAXOVLV-PYLYLYNFSA-N 2 2 336.867 2.243 10 0 EEAELP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641870642 470505922 /nfs/dbraw/zinc/50/59/22/470505922.db2.gz XPIWFLZHFNVNHA-WAYWQWQTSA-N 2 2 341.459 2.460 10 0 EEAELP CC[N@H+](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)Cc1ccccc1Cl ZINC000646912180 470772742 /nfs/dbraw/zinc/77/27/42/470772742.db2.gz OSWSAHWNXCZMBF-NVXWUHKLSA-N 2 2 335.879 2.324 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)Cc1ccccc1Cl ZINC000646912180 470772743 /nfs/dbraw/zinc/77/27/43/470772743.db2.gz OSWSAHWNXCZMBF-NVXWUHKLSA-N 2 2 335.879 2.324 10 0 EEAELP CC[NH+](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)Cc1ccccc1Cl ZINC000646912180 470772746 /nfs/dbraw/zinc/77/27/46/470772746.db2.gz OSWSAHWNXCZMBF-NVXWUHKLSA-N 2 2 335.879 2.324 10 0 EEAELP CC[NH+](CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21)Cc1ccccc1Cl ZINC000646912180 470772748 /nfs/dbraw/zinc/77/27/48/470772748.db2.gz OSWSAHWNXCZMBF-NVXWUHKLSA-N 2 2 335.879 2.324 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000650714820 470948806 /nfs/dbraw/zinc/94/88/06/470948806.db2.gz DQEWMCVXYIQVDF-IAQYHMDHSA-N 2 2 336.386 2.151 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000650714820 470948809 /nfs/dbraw/zinc/94/88/09/470948809.db2.gz DQEWMCVXYIQVDF-IAQYHMDHSA-N 2 2 336.386 2.151 10 0 EEAELP CC(C)[N@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650818852 470975029 /nfs/dbraw/zinc/97/50/29/470975029.db2.gz ZPYVFPKPTWOJLN-KRWDZBQOSA-N 2 2 343.475 2.343 10 0 EEAELP CC(C)[N@@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650818852 470975033 /nfs/dbraw/zinc/97/50/33/470975033.db2.gz ZPYVFPKPTWOJLN-KRWDZBQOSA-N 2 2 343.475 2.343 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901450 471012148 /nfs/dbraw/zinc/01/21/48/471012148.db2.gz OXNJKXALMYWCFW-WMZOPIPTSA-N 2 2 336.501 2.314 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901450 471012151 /nfs/dbraw/zinc/01/21/51/471012151.db2.gz OXNJKXALMYWCFW-WMZOPIPTSA-N 2 2 336.501 2.314 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903662 471013367 /nfs/dbraw/zinc/01/33/67/471013367.db2.gz NXIGNPDPOLLBSC-IEBWSBKVSA-N 2 2 345.487 2.166 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903662 471013369 /nfs/dbraw/zinc/01/33/69/471013369.db2.gz NXIGNPDPOLLBSC-IEBWSBKVSA-N 2 2 345.487 2.166 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957016 471027236 /nfs/dbraw/zinc/02/72/36/471027236.db2.gz CDLFSHPPFZLAAL-RDTXWAMCSA-N 2 2 333.501 2.097 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957016 471027239 /nfs/dbraw/zinc/02/72/39/471027239.db2.gz CDLFSHPPFZLAAL-RDTXWAMCSA-N 2 2 333.501 2.097 10 0 EEAELP C[C@H](C[NH2+]Cc1c(F)cncc1Br)C[NH+]1CCOCC1 ZINC000657370784 471116755 /nfs/dbraw/zinc/11/67/55/471116755.db2.gz QLOZWIRNMBZYBY-LLVKDONJSA-N 2 2 346.244 2.041 10 0 EEAELP FC(F)(F)Cn1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cn1 ZINC000657397537 471125539 /nfs/dbraw/zinc/12/55/39/471125539.db2.gz AIJBXHUTVZZPIY-UHFFFAOYSA-N 2 2 336.321 2.316 10 0 EEAELP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000651818991 471133191 /nfs/dbraw/zinc/13/31/91/471133191.db2.gz MDUZWVXVZUZCQB-HXUWFJFHSA-N 2 2 342.487 2.426 10 0 EEAELP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000651818991 471133197 /nfs/dbraw/zinc/13/31/97/471133197.db2.gz MDUZWVXVZUZCQB-HXUWFJFHSA-N 2 2 342.487 2.426 10 0 EEAELP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000641163664 471231879 /nfs/dbraw/zinc/23/18/79/471231879.db2.gz ZAWVELUGPWTGGJ-HNNXBMFYSA-N 2 2 325.416 2.102 10 0 EEAELP CC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344927 471291092 /nfs/dbraw/zinc/29/10/92/471291092.db2.gz SOZZCTRWIAFHMN-TYPHKJRUSA-N 2 2 344.547 2.123 10 0 EEAELP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344927 471291095 /nfs/dbraw/zinc/29/10/95/471291095.db2.gz SOZZCTRWIAFHMN-TYPHKJRUSA-N 2 2 344.547 2.123 10 0 EEAELP CC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344927 471291097 /nfs/dbraw/zinc/29/10/97/471291097.db2.gz SOZZCTRWIAFHMN-TYPHKJRUSA-N 2 2 344.547 2.123 10 0 EEAELP CC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344927 471291099 /nfs/dbraw/zinc/29/10/99/471291099.db2.gz SOZZCTRWIAFHMN-TYPHKJRUSA-N 2 2 344.547 2.123 10 0 EEAELP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658343348 471291391 /nfs/dbraw/zinc/29/13/91/471291391.db2.gz QOJLUJUGKBKHGN-ICSRJNTNSA-N 2 2 341.503 2.068 10 0 EEAELP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658343348 471291393 /nfs/dbraw/zinc/29/13/93/471291393.db2.gz QOJLUJUGKBKHGN-ICSRJNTNSA-N 2 2 341.503 2.068 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000652482925 471298336 /nfs/dbraw/zinc/29/83/36/471298336.db2.gz VLKKTHQNXNLQIB-DOTOQJQBSA-N 2 2 327.432 2.148 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000652482925 471298338 /nfs/dbraw/zinc/29/83/38/471298338.db2.gz VLKKTHQNXNLQIB-DOTOQJQBSA-N 2 2 327.432 2.148 10 0 EEAELP Cc1ccc([C@H](CNC(=O)N[C@@H](C)c2[nH+]ccn2C)[NH+](C)C)cc1 ZINC000660572252 471397636 /nfs/dbraw/zinc/39/76/36/471397636.db2.gz REDVBBUHXCXRJC-HOCLYGCPSA-N 2 2 329.448 2.392 10 0 EEAELP C[C@H]1C[C@H]1c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000663736748 471497359 /nfs/dbraw/zinc/49/73/59/471497359.db2.gz YQTWVKXICXPZRK-GOEBONIOSA-N 2 2 336.480 2.086 10 0 EEAELP C[C@H]1C[C@H]1c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000663736748 471497365 /nfs/dbraw/zinc/49/73/65/471497365.db2.gz YQTWVKXICXPZRK-GOEBONIOSA-N 2 2 336.480 2.086 10 0 EEAELP CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000655928464 471544133 /nfs/dbraw/zinc/54/41/33/471544133.db2.gz TXOKHZPLAWCHRI-NEPJUHHUSA-N 2 2 341.337 2.030 10 0 EEAELP CC[C@@](C)(NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000663876379 471559810 /nfs/dbraw/zinc/55/98/10/471559810.db2.gz FHMOUIHJOJMGHJ-LJQANCHMSA-N 2 2 336.524 2.423 10 0 EEAELP C[C@@H](CN1CC[NH+](C)CC1)Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000656122400 471596867 /nfs/dbraw/zinc/59/68/67/471596867.db2.gz VJKDEHMSHXZLGP-INIZCTEOSA-N 2 2 346.523 2.151 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667046703 471634785 /nfs/dbraw/zinc/63/47/85/471634785.db2.gz FSEJKDJBNGMEEX-QLFBSQMISA-N 2 2 332.492 2.387 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667046703 471634790 /nfs/dbraw/zinc/63/47/90/471634790.db2.gz FSEJKDJBNGMEEX-QLFBSQMISA-N 2 2 332.492 2.387 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667046703 471634793 /nfs/dbraw/zinc/63/47/93/471634793.db2.gz FSEJKDJBNGMEEX-QLFBSQMISA-N 2 2 332.492 2.387 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667046703 471634797 /nfs/dbraw/zinc/63/47/97/471634797.db2.gz FSEJKDJBNGMEEX-QLFBSQMISA-N 2 2 332.492 2.387 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000669942705 471643677 /nfs/dbraw/zinc/64/36/77/471643677.db2.gz HCCPETVASJLENG-IBGZPJMESA-N 2 2 333.451 2.158 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000669942705 471643681 /nfs/dbraw/zinc/64/36/81/471643681.db2.gz HCCPETVASJLENG-IBGZPJMESA-N 2 2 333.451 2.158 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000670081869 471673272 /nfs/dbraw/zinc/67/32/72/471673272.db2.gz ZJHNRDSHNFDMJU-WMZOPIPTSA-N 2 2 339.443 2.136 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000670081869 471673277 /nfs/dbraw/zinc/67/32/77/471673277.db2.gz ZJHNRDSHNFDMJU-WMZOPIPTSA-N 2 2 339.443 2.136 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000653679891 471710305 /nfs/dbraw/zinc/71/03/05/471710305.db2.gz ZOSKMKAOTLULDJ-WOJBJXKFSA-N 2 2 325.456 2.364 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000653679891 471710310 /nfs/dbraw/zinc/71/03/10/471710310.db2.gz ZOSKMKAOTLULDJ-WOJBJXKFSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000653679891 471710313 /nfs/dbraw/zinc/71/03/13/471710313.db2.gz ZOSKMKAOTLULDJ-WOJBJXKFSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000653679891 471710321 /nfs/dbraw/zinc/71/03/21/471710321.db2.gz ZOSKMKAOTLULDJ-WOJBJXKFSA-N 2 2 325.456 2.364 10 0 EEAELP C[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1[nH+]ccn1C ZINC000667257525 471712600 /nfs/dbraw/zinc/71/26/00/471712600.db2.gz ODZZYEUYZBDDCE-CQSZACIVSA-N 2 2 345.447 2.380 10 0 EEAELP Cc1cccc(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000664533436 471783831 /nfs/dbraw/zinc/78/38/31/471783831.db2.gz AVOIBPZZXYKLNI-LJQANCHMSA-N 2 2 327.428 2.065 10 0 EEAELP Cc1cccc(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000664533436 471783835 /nfs/dbraw/zinc/78/38/35/471783835.db2.gz AVOIBPZZXYKLNI-LJQANCHMSA-N 2 2 327.428 2.065 10 0 EEAELP Cc1cc(N2CC[NH+](Cc3cnn4c3CCC4)CC2)nc(C(C)C)[nH+]1 ZINC000667490975 471798056 /nfs/dbraw/zinc/79/80/56/471798056.db2.gz XFNCLYLIFIXMJZ-UHFFFAOYSA-N 2 2 340.475 2.373 10 0 EEAELP C[C@H]1C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)C1O ZINC000661621761 471829176 /nfs/dbraw/zinc/82/91/76/471829176.db2.gz OSVHYXXNZLHSKF-ROUUACIJSA-N 2 2 331.504 2.147 10 0 EEAELP COCCCn1nccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000656788872 471841176 /nfs/dbraw/zinc/84/11/76/471841176.db2.gz HYWJBSRQKHRNAL-RTBURBONSA-N 2 2 328.460 2.155 10 0 EEAELP C[C@H](NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)c1[nH+]ccn1C ZINC000664867622 471884033 /nfs/dbraw/zinc/88/40/33/471884033.db2.gz UBOHXZPUZUCITL-DZKIICNBSA-N 2 2 329.448 2.472 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cnccc1C(C)(C)C ZINC000665136664 471952441 /nfs/dbraw/zinc/95/24/41/471952441.db2.gz IDDGJPPYNUUJBR-UHFFFAOYSA-N 2 2 349.523 2.062 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cnccc1C(C)(C)C ZINC000665136664 471952443 /nfs/dbraw/zinc/95/24/43/471952443.db2.gz IDDGJPPYNUUJBR-UHFFFAOYSA-N 2 2 349.523 2.062 10 0 EEAELP C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1[nH+]ccn1C ZINC000662098550 471984884 /nfs/dbraw/zinc/98/48/84/471984884.db2.gz WESKXQKYVSUTEU-INIZCTEOSA-N 2 2 341.459 2.399 10 0 EEAELP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1[nH+]ccn1C ZINC000662098550 471984891 /nfs/dbraw/zinc/98/48/91/471984891.db2.gz WESKXQKYVSUTEU-INIZCTEOSA-N 2 2 341.459 2.399 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000662147735 472009814 /nfs/dbraw/zinc/00/98/14/472009814.db2.gz FXZXARLLWPERPH-CQSZACIVSA-N 2 2 340.370 2.039 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)C1 ZINC000662147735 472009816 /nfs/dbraw/zinc/00/98/16/472009816.db2.gz FXZXARLLWPERPH-CQSZACIVSA-N 2 2 340.370 2.039 10 0 EEAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668741182 472249551 /nfs/dbraw/zinc/24/95/51/472249551.db2.gz OSXKPRMCONKOJR-IBGZPJMESA-N 2 2 340.471 2.416 10 0 EEAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668741182 472249559 /nfs/dbraw/zinc/24/95/59/472249559.db2.gz OSXKPRMCONKOJR-IBGZPJMESA-N 2 2 340.471 2.416 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169121 472333675 /nfs/dbraw/zinc/33/36/75/472333675.db2.gz RSOVBGSKDOQKBF-GOEBONIOSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000666169121 472333682 /nfs/dbraw/zinc/33/36/82/472333682.db2.gz RSOVBGSKDOQKBF-GOEBONIOSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169121 472333687 /nfs/dbraw/zinc/33/36/87/472333687.db2.gz RSOVBGSKDOQKBF-GOEBONIOSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000666169121 472333694 /nfs/dbraw/zinc/33/36/94/472333694.db2.gz RSOVBGSKDOQKBF-GOEBONIOSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@H]1CC2(CCC2)CN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683355406 485493215 /nfs/dbraw/zinc/49/32/15/485493215.db2.gz WKKFQKCXSSNYLQ-HOTGVXAUSA-N 2 2 334.508 2.129 10 0 EEAELP C[C@H]1CC2(CCC2)CN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683355406 485493219 /nfs/dbraw/zinc/49/32/19/485493219.db2.gz WKKFQKCXSSNYLQ-HOTGVXAUSA-N 2 2 334.508 2.129 10 0 EEAELP COC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000678764563 485496037 /nfs/dbraw/zinc/49/60/37/485496037.db2.gz WLWMMIXSGQSNND-VQTJNVASSA-N 2 2 328.456 2.457 10 0 EEAELP COC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000678764563 485496043 /nfs/dbraw/zinc/49/60/43/485496043.db2.gz WLWMMIXSGQSNND-VQTJNVASSA-N 2 2 328.456 2.457 10 0 EEAELP Cc1cccn2cc(CCNC(=O)NCCC[N@@H+](C)CC(C)C)[nH+]c12 ZINC000650948865 485527228 /nfs/dbraw/zinc/52/72/28/485527228.db2.gz TUXLNGKNGHHTAF-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP Cc1cccn2cc(CCNC(=O)NCCC[N@H+](C)CC(C)C)[nH+]c12 ZINC000650948865 485527234 /nfs/dbraw/zinc/52/72/34/485527234.db2.gz TUXLNGKNGHHTAF-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP Cc1cccn2cc(CCNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)[nH+]c12 ZINC000673778904 485528813 /nfs/dbraw/zinc/52/88/13/485528813.db2.gz GNYZGGOVEVZNIT-NVXWUHKLSA-N 2 2 343.475 2.309 10 0 EEAELP Cc1cccn2cc(CCNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c12 ZINC000673778904 485528822 /nfs/dbraw/zinc/52/88/22/485528822.db2.gz GNYZGGOVEVZNIT-NVXWUHKLSA-N 2 2 343.475 2.309 10 0 EEAELP CC[NH+]1CCC([NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000679045161 485573343 /nfs/dbraw/zinc/57/33/43/485573343.db2.gz SXIVDGJKWADZBX-HXUWFJFHSA-N 2 2 331.504 2.087 10 0 EEAELP C[C@@H]1C[C@@H](N[C@]2(CO)CCC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000679045968 485574476 /nfs/dbraw/zinc/57/44/76/485574476.db2.gz YLFNMRKVNZWHIR-YFVAEKQCSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@@H](N[C@]2(CO)CCC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000679045968 485574483 /nfs/dbraw/zinc/57/44/83/485574483.db2.gz YLFNMRKVNZWHIR-YFVAEKQCSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@@H](N[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000679045968 485574488 /nfs/dbraw/zinc/57/44/88/485574488.db2.gz YLFNMRKVNZWHIR-YFVAEKQCSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@@H](N[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000679045968 485574493 /nfs/dbraw/zinc/57/44/93/485574493.db2.gz YLFNMRKVNZWHIR-YFVAEKQCSA-N 2 2 343.515 2.228 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000674285377 485681983 /nfs/dbraw/zinc/68/19/83/485681983.db2.gz XMMPUDGPGCXVOW-UHFFFAOYSA-N 2 2 337.387 2.402 10 0 EEAELP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000684441042 485885347 /nfs/dbraw/zinc/88/53/47/485885347.db2.gz UWYUNFYUEYSLBK-UHFFFAOYSA-N 2 2 335.371 2.123 10 0 EEAELP C[NH+]1CCC(CNC(=O)/C=C\c2ccco2)([NH+]2CCCCC2)CC1 ZINC000742012489 578126684 /nfs/dbraw/zinc/12/66/84/578126684.db2.gz XSKYXYHTXAWJJT-FPLPWBNLSA-N 2 2 331.460 2.359 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1COC(=O)COC1CC[NH+](C)CC1 ZINC000923788536 681899426 /nfs/dbraw/zinc/89/94/26/681899426.db2.gz MGQRDLFRFGRFQP-UHFFFAOYSA-N 2 2 343.427 2.335 10 0 EEAELP CC1([NH+]2CCC2)CCC(NC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000914307457 683484619 /nfs/dbraw/zinc/48/46/19/683484619.db2.gz CUNGJOCUDDPSHN-UHFFFAOYSA-N 2 2 333.480 2.370 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000152795069 683532041 /nfs/dbraw/zinc/53/20/41/683532041.db2.gz DRZJDUNOCDDFFA-WBVHZDCISA-N 2 2 344.503 2.355 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000897157983 686198096 /nfs/dbraw/zinc/19/80/96/686198096.db2.gz SYSCXNXVIRNHMM-KVULBXGLSA-N 2 2 333.480 2.027 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000897157983 686198102 /nfs/dbraw/zinc/19/81/02/686198102.db2.gz SYSCXNXVIRNHMM-KVULBXGLSA-N 2 2 333.480 2.027 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)c[nH+]1 ZINC000899204502 693658519 /nfs/dbraw/zinc/65/85/19/693658519.db2.gz ASGMSQZEWORAAM-OAHLLOKOSA-N 2 2 327.432 2.059 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001485606855 1191860386 /nfs/dbraw/zinc/86/03/86/1191860386.db2.gz MNPAAVWCTUPRGB-XLAORIBOSA-N 2 2 344.503 2.176 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001485606855 1191860388 /nfs/dbraw/zinc/86/03/88/1191860388.db2.gz MNPAAVWCTUPRGB-XLAORIBOSA-N 2 2 344.503 2.176 10 0 EEAELP C[C@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485727025 1191911874 /nfs/dbraw/zinc/91/18/74/1191911874.db2.gz ITMYXGIGBLNLMX-VXGBXAGGSA-N 2 2 341.393 2.246 10 0 EEAELP C[C@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001485727025 1191911876 /nfs/dbraw/zinc/91/18/76/1191911876.db2.gz ITMYXGIGBLNLMX-VXGBXAGGSA-N 2 2 341.393 2.246 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H](C[NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001670481246 1176826568 /nfs/dbraw/zinc/82/65/68/1176826568.db2.gz UFVDBEMKLLATGG-HNNXBMFYSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H](C[NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001670481246 1176826576 /nfs/dbraw/zinc/82/65/76/1176826576.db2.gz UFVDBEMKLLATGG-HNNXBMFYSA-N 2 2 347.850 2.075 10 0 EEAELP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001266870354 1177653066 /nfs/dbraw/zinc/65/30/66/1177653066.db2.gz LWWAWWCHEYJUBW-HNNXBMFYSA-N 2 2 344.459 2.154 10 0 EEAELP C[C@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691174630 1177671003 /nfs/dbraw/zinc/67/10/03/1177671003.db2.gz ACUPSMUTVYTEBX-QAETUUGQSA-N 2 2 348.491 2.032 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CCOCC3CCC3)ccn12 ZINC001266940009 1177855226 /nfs/dbraw/zinc/85/52/26/1177855226.db2.gz SPKIYHUWAXTNNH-AWEZNQCLSA-N 2 2 344.459 2.167 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1CCC[NH2+]CCF ZINC001691411580 1178023984 /nfs/dbraw/zinc/02/39/84/1178023984.db2.gz QYMRHQUQERHOSO-NVXWUHKLSA-N 2 2 338.471 2.319 10 0 EEAELP CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267047904 1178146570 /nfs/dbraw/zinc/14/65/70/1178146570.db2.gz PZVYQWOFQKMGHT-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001267059416 1178169775 /nfs/dbraw/zinc/16/97/75/1178169775.db2.gz WPYDHTOQCPDTGC-MPYGFJLXSA-N 2 2 338.455 2.494 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(CC[NH2+]CC2CC2)cc1 ZINC001267098753 1178237050 /nfs/dbraw/zinc/23/70/50/1178237050.db2.gz VUZNBWVIXPVIFR-UHFFFAOYSA-N 2 2 326.444 2.119 10 0 EEAELP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267419771 1178985478 /nfs/dbraw/zinc/98/54/78/1178985478.db2.gz QBLKUHVMMQVOMB-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267419771 1178985480 /nfs/dbraw/zinc/98/54/80/1178985480.db2.gz QBLKUHVMMQVOMB-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1cccc(C(F)F)c1 ZINC001267461651 1179054833 /nfs/dbraw/zinc/05/48/33/1179054833.db2.gz YBXNMXMRUJEXQX-UHFFFAOYSA-N 2 2 336.386 2.446 10 0 EEAELP COCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001267486698 1179152349 /nfs/dbraw/zinc/15/23/49/1179152349.db2.gz JGQHPHXCIFKFAG-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001267486698 1179152354 /nfs/dbraw/zinc/15/23/54/1179152354.db2.gz JGQHPHXCIFKFAG-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP CC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1scnc1C ZINC001480982075 1179419920 /nfs/dbraw/zinc/41/99/20/1179419920.db2.gz IRJGGZRYLDPUCN-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP CC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1scnc1C ZINC001480982075 1179419926 /nfs/dbraw/zinc/41/99/26/1179419926.db2.gz IRJGGZRYLDPUCN-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H](C[N@H+](C)CC=C(C)C)C1 ZINC001267585353 1179545673 /nfs/dbraw/zinc/54/56/73/1179545673.db2.gz UFAINIVZOXYHQP-INIZCTEOSA-N 2 2 331.460 2.379 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001267585353 1179545675 /nfs/dbraw/zinc/54/56/75/1179545675.db2.gz UFAINIVZOXYHQP-INIZCTEOSA-N 2 2 331.460 2.379 10 0 EEAELP CN(CC[NH2+]CCCCC(F)(F)F)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481251289 1180469749 /nfs/dbraw/zinc/46/97/49/1180469749.db2.gz WMBBAFRXOUDQKA-CYBMUJFWSA-N 2 2 346.397 2.226 10 0 EEAELP CCCC[NH2+]C[C@@](C)(NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001267853058 1180634319 /nfs/dbraw/zinc/63/43/19/1180634319.db2.gz KBACHQJFVPNSCI-LJQANCHMSA-N 2 2 332.492 2.437 10 0 EEAELP COc1ccc(C[NH2+]CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001481285530 1180845840 /nfs/dbraw/zinc/84/58/40/1180845840.db2.gz IHHUZUVAGGRPSP-HNNXBMFYSA-N 2 2 330.432 2.091 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CCc1cccs1 ZINC001267990350 1180928617 /nfs/dbraw/zinc/92/86/17/1180928617.db2.gz JGURIJNNTXDTGF-CABCVRRESA-N 2 2 346.500 2.092 10 0 EEAELP CN(CC[N@H+](C)CCCCC(F)(F)F)C(=O)Cc1c[nH+]cn1C ZINC001268255349 1182084439 /nfs/dbraw/zinc/08/44/39/1182084439.db2.gz ZAZWXFYLHOGNLC-UHFFFAOYSA-N 2 2 334.386 2.085 10 0 EEAELP CN(CC[N@@H+](C)CCCCC(F)(F)F)C(=O)Cc1c[nH+]cn1C ZINC001268255349 1182084445 /nfs/dbraw/zinc/08/44/45/1182084445.db2.gz ZAZWXFYLHOGNLC-UHFFFAOYSA-N 2 2 334.386 2.085 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268278392 1182143797 /nfs/dbraw/zinc/14/37/97/1182143797.db2.gz NROHVNHBLCGKGS-WCQYABFASA-N 2 2 332.370 2.169 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268278392 1182143802 /nfs/dbraw/zinc/14/38/02/1182143802.db2.gz NROHVNHBLCGKGS-WCQYABFASA-N 2 2 332.370 2.169 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]Cc2cncs2)CCCC1 ZINC001481909895 1182931533 /nfs/dbraw/zinc/93/15/33/1182931533.db2.gz QAZRTDUMQCCFDU-ZDUSSCGKSA-N 2 2 347.488 2.264 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]Cc2cncs2)CCCC1 ZINC001481909895 1182931537 /nfs/dbraw/zinc/93/15/37/1182931537.db2.gz QAZRTDUMQCCFDU-ZDUSSCGKSA-N 2 2 347.488 2.264 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]Cc3conc3C)ccn12 ZINC001268538490 1183199877 /nfs/dbraw/zinc/19/98/77/1183199877.db2.gz KIIPFZMOVFBKPE-ARJAWSKDSA-N 2 2 339.399 2.015 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1 ZINC001268618813 1183532580 /nfs/dbraw/zinc/53/25/80/1183532580.db2.gz OZBQKZZLFAOYNB-IHWYPQMZSA-N 2 2 334.370 2.001 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C/Cl)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268803613 1183722023 /nfs/dbraw/zinc/72/20/23/1183722023.db2.gz NAVYOIFZLSBMMC-IXJPEXDMSA-N 2 2 345.274 2.203 10 0 EEAELP O=C(NCC1([NH2+]CCC[C@@H]2CCOC2)CC1)c1cccc2[nH+]ccn21 ZINC001269451012 1184277700 /nfs/dbraw/zinc/27/77/00/1184277700.db2.gz IZTLMUZUFAXASU-OAHLLOKOSA-N 2 2 342.443 2.003 10 0 EEAELP C[C@H](CC(=O)NC1(C)CC[NH+](CCOCC2CC2)CC1)n1cc[nH+]c1 ZINC001270248693 1184957269 /nfs/dbraw/zinc/95/72/69/1184957269.db2.gz HIBSMSPQHGOXKB-MRXNPFEDSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001270579803 1185183379 /nfs/dbraw/zinc/18/33/79/1185183379.db2.gz XIDDZUAHSOOFIF-RZIFZGNASA-N 2 2 326.444 2.316 10 0 EEAELP C[C@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001270737606 1185357765 /nfs/dbraw/zinc/35/77/65/1185357765.db2.gz PZLUWKTUSLPCNX-LALPHHSUSA-N 2 2 344.381 2.294 10 0 EEAELP C[C@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001270737606 1185357772 /nfs/dbraw/zinc/35/77/72/1185357772.db2.gz PZLUWKTUSLPCNX-LALPHHSUSA-N 2 2 344.381 2.294 10 0 EEAELP C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1F)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482373073 1185541461 /nfs/dbraw/zinc/54/14/61/1185541461.db2.gz GQGSMYRXZIGSBE-OLZOCXBDSA-N 2 2 336.386 2.359 10 0 EEAELP CC(C)C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482387230 1185586020 /nfs/dbraw/zinc/58/60/20/1185586020.db2.gz LWKLKXXJNCDMLG-GOEBONIOSA-N 2 2 344.459 2.334 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001271074027 1185858910 /nfs/dbraw/zinc/85/89/10/1185858910.db2.gz CZHFVCQPTQKPAR-WMZOPIPTSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001271074027 1185858916 /nfs/dbraw/zinc/85/89/16/1185858916.db2.gz CZHFVCQPTQKPAR-WMZOPIPTSA-N 2 2 337.508 2.033 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]CCOC1CCC1 ZINC001482460685 1185924994 /nfs/dbraw/zinc/92/49/94/1185924994.db2.gz DHAWXWUWFVIDCF-MRXNPFEDSA-N 2 2 348.491 2.191 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001271647627 1186353344 /nfs/dbraw/zinc/35/33/44/1186353344.db2.gz FXAFYKTZSPDZLR-SJORKVTESA-N 2 2 334.508 2.473 10 0 EEAELP Cc1csc(C[N@@H+](C)CCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001482603845 1187350434 /nfs/dbraw/zinc/35/04/34/1187350434.db2.gz VCXUFBGURYOPPM-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1csc(C[N@H+](C)CCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001482603845 1187350439 /nfs/dbraw/zinc/35/04/39/1187350439.db2.gz VCXUFBGURYOPPM-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1csc(C[NH+](C)CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001482603845 1187350444 /nfs/dbraw/zinc/35/04/44/1187350444.db2.gz VCXUFBGURYOPPM-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1csc(C[NH+](C)CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001482603845 1187350447 /nfs/dbraw/zinc/35/04/47/1187350447.db2.gz VCXUFBGURYOPPM-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001482890173 1187816938 /nfs/dbraw/zinc/81/69/38/1187816938.db2.gz KXTGBDZDPWZMPL-NSHDSACASA-N 2 2 336.386 2.223 10 0 EEAELP CC[C@H](C)C[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483009789 1187992944 /nfs/dbraw/zinc/99/29/44/1187992944.db2.gz DYVLBLQGRYPBGM-WVBURXTLSA-N 2 2 333.480 2.098 10 0 EEAELP CC[C@H](C)C[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001483009789 1187992945 /nfs/dbraw/zinc/99/29/45/1187992945.db2.gz DYVLBLQGRYPBGM-WVBURXTLSA-N 2 2 333.480 2.098 10 0 EEAELP CC[C@H](C)C[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483009791 1187993062 /nfs/dbraw/zinc/99/30/62/1187993062.db2.gz DYVLBLQGRYPBGM-XGRZMECZSA-N 2 2 333.480 2.098 10 0 EEAELP CC[C@H](C)C[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001483009791 1187993066 /nfs/dbraw/zinc/99/30/66/1187993066.db2.gz DYVLBLQGRYPBGM-XGRZMECZSA-N 2 2 333.480 2.098 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001483037268 1188068571 /nfs/dbraw/zinc/06/85/71/1188068571.db2.gz MRHXJSKTKKFVGG-HSWBROFVSA-N 2 2 340.418 2.050 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001272838338 1193571768 /nfs/dbraw/zinc/57/17/68/1193571768.db2.gz VZJDBKVLCIVGEE-ZLKJLUDKSA-N 2 2 347.488 2.271 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC001272838338 1193571772 /nfs/dbraw/zinc/57/17/72/1193571772.db2.gz VZJDBKVLCIVGEE-ZLKJLUDKSA-N 2 2 347.488 2.271 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483142458 1188733693 /nfs/dbraw/zinc/73/36/93/1188733693.db2.gz XIIWYLQJIQCLEL-OCCSQVGLSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001483199730 1189089260 /nfs/dbraw/zinc/08/92/60/1189089260.db2.gz SUYSLWWNQWIMHY-CQSZACIVSA-N 2 2 329.448 2.004 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1csc(Cl)n1 ZINC001485892108 1193631871 /nfs/dbraw/zinc/63/18/71/1193631871.db2.gz MDCPIFLWQMEMDH-WCQYABFASA-N 2 2 344.912 2.217 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1csc(Cl)n1 ZINC001485892108 1193631872 /nfs/dbraw/zinc/63/18/72/1193631872.db2.gz MDCPIFLWQMEMDH-WCQYABFASA-N 2 2 344.912 2.217 10 0 EEAELP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001409445171 1189687452 /nfs/dbraw/zinc/68/74/52/1189687452.db2.gz IJLXQYDVDXHLQZ-CABCVRRESA-N 2 2 338.471 2.268 10 0 EEAELP C[NH+](C)C1CCN(c2ccc(NCc3cnn(CCF)c3)[nH+]c2)CC1 ZINC000905411054 1189712205 /nfs/dbraw/zinc/71/22/05/1189712205.db2.gz DVMYRUTYCKAPJG-UHFFFAOYSA-N 2 2 346.454 2.390 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001409468430 1189752050 /nfs/dbraw/zinc/75/20/50/1189752050.db2.gz MNGLINYLEBMHET-GJZGRUSLSA-N 2 2 326.444 2.444 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409468978 1189754673 /nfs/dbraw/zinc/75/46/73/1189754673.db2.gz MVKMUMZYEXSYKT-CABCVRRESA-N 2 2 343.475 2.393 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@@H]([NH2+]Cc1cncs1)C(C)C ZINC001409763534 1190253344 /nfs/dbraw/zinc/25/33/44/1190253344.db2.gz OOCMGJDCTWMTKK-OAHLLOKOSA-N 2 2 349.504 2.380 10 0 EEAELP O=C(N[C@H](C[NH2+]CC[C@@H]1CCCO1)C1CC1)c1cccc2[nH+]ccn21 ZINC001483574951 1190564232 /nfs/dbraw/zinc/56/42/32/1190564232.db2.gz JIINSBBYSOQGBV-JKSUJKDBSA-N 2 2 342.443 2.001 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+][C@H]1CCCc2ccccc21)C1CC1 ZINC001483610401 1190588812 /nfs/dbraw/zinc/58/88/12/1190588812.db2.gz XDTIGBUKBDLEIW-RBUKOAKNSA-N 2 2 338.455 2.445 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001483742047 1190893571 /nfs/dbraw/zinc/89/35/71/1190893571.db2.gz FVIYLGFHXVITQM-OAHLLOKOSA-N 2 2 346.475 2.165 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001483742047 1190893573 /nfs/dbraw/zinc/89/35/73/1190893573.db2.gz FVIYLGFHXVITQM-OAHLLOKOSA-N 2 2 346.475 2.165 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001272653174 1190964299 /nfs/dbraw/zinc/96/42/99/1190964299.db2.gz OVSZKVYVXWNNRO-QGZVFWFLSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](F)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001483847463 1191082794 /nfs/dbraw/zinc/08/27/94/1191082794.db2.gz LDPOZMHYTXWADU-FUHWJXTLSA-N 2 2 336.455 2.336 10 0 EEAELP C[C@H](F)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001483847463 1191082796 /nfs/dbraw/zinc/08/27/96/1191082796.db2.gz LDPOZMHYTXWADU-FUHWJXTLSA-N 2 2 336.455 2.336 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([C@H](C)[NH2+]CCCF)C3)ccn12 ZINC001484337779 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KRXIBSDMQLTXOX-QRQLOZEOSA-N 2 2 348.491 2.041 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCC[NH2+]Cc2cccnc2)c[nH+]1 ZINC001283191049 1325950435 /nfs/dbraw/zinc/95/04/35/1325950435.db2.gz GUUSCQKRYSZQLH-OAHLLOKOSA-N 2 2 343.475 2.396 10 0 EEAELP Cc1ccc(CCC[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001283680189 1326199179 /nfs/dbraw/zinc/19/91/79/1326199179.db2.gz NSMQLGLBYBLVIP-INIZCTEOSA-N 2 2 328.460 2.330 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284019147 1326365228 /nfs/dbraw/zinc/36/52/28/1326365228.db2.gz XFXLOTCHAGYOBG-SJLPKXTDSA-N 2 2 340.471 2.472 10 0 EEAELP COCCC[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001284309718 1326498667 /nfs/dbraw/zinc/49/86/67/1326498667.db2.gz KTCWDZPRCPDWSQ-INIZCTEOSA-N 2 2 333.476 2.484 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CCC[C@H]2CCOC2)C1 ZINC001284815195 1326726653 /nfs/dbraw/zinc/72/66/53/1326726653.db2.gz HBZCNAVPFBSMBW-FHERZECASA-N 2 2 348.491 2.083 10 0 EEAELP C[C@H](c1ccc(F)cc1F)[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001316868753 1331796276 /nfs/dbraw/zinc/79/62/76/1331796276.db2.gz LCSZFLMCACVUJU-CYBMUJFWSA-N 2 2 336.386 2.361 10 0 EEAELP C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1 ZINC001316868753 1331796277 /nfs/dbraw/zinc/79/62/77/1331796277.db2.gz LCSZFLMCACVUJU-CYBMUJFWSA-N 2 2 336.386 2.361 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CC/C=C/c2ccccc2)C1 ZINC001317090452 1332075410 /nfs/dbraw/zinc/07/54/10/1332075410.db2.gz AWQGZRYBPOULIO-MZJPSXEPSA-N 2 2 338.455 2.303 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccnc(Cl)c1 ZINC001317513993 1332276534 /nfs/dbraw/zinc/27/65/34/1332276534.db2.gz RKRGLRBXHZPMPM-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccnc(Cl)c1 ZINC001317513993 1332276535 /nfs/dbraw/zinc/27/65/35/1332276535.db2.gz RKRGLRBXHZPMPM-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001317513993 1332276537 /nfs/dbraw/zinc/27/65/37/1332276537.db2.gz RKRGLRBXHZPMPM-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001317513993 1332276539 /nfs/dbraw/zinc/27/65/39/1332276539.db2.gz RKRGLRBXHZPMPM-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317526343 1332283982 /nfs/dbraw/zinc/28/39/82/1332283982.db2.gz JGSRXGZLDVMFHI-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP CCCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001317526343 1332283985 /nfs/dbraw/zinc/28/39/85/1332283985.db2.gz JGSRXGZLDVMFHI-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP Cc1ccccc1C[NH2+]CCN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001317590633 1332312932 /nfs/dbraw/zinc/31/29/32/1332312932.db2.gz QOVUEBJVQKVGDU-UHFFFAOYSA-N 2 2 340.471 2.319 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001318204750 1332487833 /nfs/dbraw/zinc/48/78/33/1332487833.db2.gz TXYBRSNQIZPTLH-PMSLMXJFSA-N 2 2 342.487 2.477 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001318204750 1332487835 /nfs/dbraw/zinc/48/78/35/1332487835.db2.gz TXYBRSNQIZPTLH-PMSLMXJFSA-N 2 2 342.487 2.477 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001318802894 1332600270 /nfs/dbraw/zinc/60/02/70/1332600270.db2.gz CSCYZWFLWYNMTP-QZTJIDSGSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)C[NH2+]Cc3cnc(C)o3)ccn12 ZINC001319461344 1332706030 /nfs/dbraw/zinc/70/60/30/1332706030.db2.gz SZDRNNIKZOOINV-GFCCVEGCSA-N 2 2 341.415 2.189 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1[nH+]ccn1C ZINC001320502182 1332898949 /nfs/dbraw/zinc/89/89/49/1332898949.db2.gz WXPLGKSFPNZMAJ-UONOGXRCSA-N 2 2 342.434 2.273 10 0 EEAELP CCc1cccc(C[NH2+]C/C=C/CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001321352605 1333082681 /nfs/dbraw/zinc/08/26/81/1333082681.db2.gz HZDFGISANSOQNY-SNAWJCMRSA-N 2 2 326.444 2.285 10 0 EEAELP COc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001322555743 1333281938 /nfs/dbraw/zinc/28/19/38/1333281938.db2.gz VFWQLFQKRQWVDY-IAGOWNOFSA-N 2 2 342.443 2.160 10 0 EEAELP COc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001322555743 1333281943 /nfs/dbraw/zinc/28/19/43/1333281943.db2.gz VFWQLFQKRQWVDY-IAGOWNOFSA-N 2 2 342.443 2.160 10 0 EEAELP O=C(N[C@H](C[NH2+]Cc1cncs1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001323022626 1333370887 /nfs/dbraw/zinc/37/08/87/1333370887.db2.gz QFDWASOPIDSVEL-MRXNPFEDSA-N 2 2 341.440 2.318 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCCCF ZINC001323790892 1333539291 /nfs/dbraw/zinc/53/92/91/1333539291.db2.gz PRPODDWKUWVZGS-IYBDPMFKSA-N 2 2 336.455 2.168 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCCF ZINC001323790892 1333539294 /nfs/dbraw/zinc/53/92/94/1333539294.db2.gz PRPODDWKUWVZGS-IYBDPMFKSA-N 2 2 336.455 2.168 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc2nnn(C)c2c1 ZINC001325338037 1333867340 /nfs/dbraw/zinc/86/73/40/1333867340.db2.gz GNRPWENFZJUXNT-UHFFFAOYSA-N 2 2 333.355 2.110 10 0 EEAELP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCOCC)CC1 ZINC001327299945 1334262001 /nfs/dbraw/zinc/26/20/01/1334262001.db2.gz RJCLNVSTSYTNGO-CWNLKTMVSA-N 2 2 349.519 2.129 10 0 EEAELP C/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCOCC)CC1 ZINC001327299945 1334262003 /nfs/dbraw/zinc/26/20/03/1334262003.db2.gz RJCLNVSTSYTNGO-CWNLKTMVSA-N 2 2 349.519 2.129 10 0 EEAELP CCOCCC[NH2+]C1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001328029067 1334381485 /nfs/dbraw/zinc/38/14/85/1334381485.db2.gz LVFBBHCLDWUTNQ-INIZCTEOSA-N 2 2 336.480 2.232 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329051864 1334574938 /nfs/dbraw/zinc/57/49/38/1334574938.db2.gz ZZRHLIBPUHMJOW-RYUDHWBXSA-N 2 2 335.839 2.074 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329051864 1334574942 /nfs/dbraw/zinc/57/49/42/1334574942.db2.gz ZZRHLIBPUHMJOW-RYUDHWBXSA-N 2 2 335.839 2.074 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1C[NH+](CCCCCF)C1 ZINC001330023296 1334762968 /nfs/dbraw/zinc/76/29/68/1334762968.db2.gz ZCNKBXSELUYKCU-GJZGRUSLSA-N 2 2 336.455 2.022 10 0 EEAELP C/C(=C\c1ccccn1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000847409208 1338037979 /nfs/dbraw/zinc/03/79/79/1338037979.db2.gz KOBCFWJUCSODIH-FOCLMDBBSA-N 2 2 342.487 2.160 10 0 EEAELP C/C(=C\c1cccnc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000847408826 1338038287 /nfs/dbraw/zinc/03/82/87/1338038287.db2.gz DPVBBCKAAVMGQO-JQIJEIRASA-N 2 2 342.487 2.160 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1CCc1ccns1)n1cc[nH+]c1 ZINC001436318524 1342023185 /nfs/dbraw/zinc/02/31/85/1342023185.db2.gz HQSRPQKOALYYMG-HUUCEWRRSA-N 2 2 347.488 2.066 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@H]1CC[N@H+]1CCc1ccns1)n1cc[nH+]c1 ZINC001436318524 1342023187 /nfs/dbraw/zinc/02/31/87/1342023187.db2.gz HQSRPQKOALYYMG-HUUCEWRRSA-N 2 2 347.488 2.066 10 0 EEAELP C[C@@H](CC(=O)N[C@]1(C)CC[N@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001500264992 1342122180 /nfs/dbraw/zinc/12/21/80/1342122180.db2.gz OSYXTGRNLXQGCU-XJKSGUPXSA-N 2 2 340.418 2.460 10 0 EEAELP C[C@@H](CC(=O)N[C@]1(C)CC[N@@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001500264992 1342122186 /nfs/dbraw/zinc/12/21/86/1342122186.db2.gz OSYXTGRNLXQGCU-XJKSGUPXSA-N 2 2 340.418 2.460 10 0 EEAELP C[C@]1(C[NH2+]CCF)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001500366355 1342180374 /nfs/dbraw/zinc/18/03/74/1342180374.db2.gz SEKYHRAKROOHRY-GOSISDBHSA-N 2 2 330.407 2.284 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001566908063 1342650098 /nfs/dbraw/zinc/65/00/98/1342650098.db2.gz HHXASAQZMGRSPW-GOSISDBHSA-N 2 2 340.471 2.332 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCOC1CCCCCC1 ZINC001567024297 1342682284 /nfs/dbraw/zinc/68/22/84/1342682284.db2.gz KKCKCMOIAJZOKZ-USXIJHARSA-N 2 2 348.491 2.347 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCOC1CCCCCC1 ZINC001567024297 1342682289 /nfs/dbraw/zinc/68/22/89/1342682289.db2.gz KKCKCMOIAJZOKZ-USXIJHARSA-N 2 2 348.491 2.347 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001570004641 1342996049 /nfs/dbraw/zinc/99/60/49/1342996049.db2.gz FYXXODNJXYKFKS-ZBFHGGJFSA-N 2 2 345.447 2.159 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001570676550 1343100975 /nfs/dbraw/zinc/10/09/75/1343100975.db2.gz BVKFTTFEWVIGRT-ZBKLQPJUSA-N 2 2 338.883 2.272 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001571410829 1343206376 /nfs/dbraw/zinc/20/63/76/1343206376.db2.gz RMCKMBQAWJGNCK-INIZCTEOSA-N 2 2 344.459 2.085 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676976840 1357254222 /nfs/dbraw/zinc/25/42/22/1357254222.db2.gz XVWBGADIRYOCBQ-ZIAGYGMSSA-N 2 2 346.397 2.490 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)C[NH+]3CC[C@H](C)C3)CC2)o1 ZINC001677603124 1357368906 /nfs/dbraw/zinc/36/89/06/1357368906.db2.gz HSSWJRDABOKXEJ-HOCLYGCPSA-N 2 2 346.475 2.134 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)C[NH+]3CC[C@H](C)C3)CC2)o1 ZINC001677603124 1357368911 /nfs/dbraw/zinc/36/89/11/1357368911.db2.gz HSSWJRDABOKXEJ-HOCLYGCPSA-N 2 2 346.475 2.134 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001677603124 1357368917 /nfs/dbraw/zinc/36/89/17/1357368917.db2.gz HSSWJRDABOKXEJ-HOCLYGCPSA-N 2 2 346.475 2.134 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001677603124 1357368923 /nfs/dbraw/zinc/36/89/23/1357368923.db2.gz HSSWJRDABOKXEJ-HOCLYGCPSA-N 2 2 346.475 2.134 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC001656241143 1354218097 /nfs/dbraw/zinc/21/80/97/1354218097.db2.gz OBQBMPNXKOBISK-JCNLHEQBSA-N 2 2 337.427 2.049 10 0 EEAELP CC(C)=CC[NH2+][C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001661132305 1354595817 /nfs/dbraw/zinc/59/58/17/1354595817.db2.gz VNALQJGKRWLQGG-QGZVFWFLSA-N 2 2 330.476 2.213 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCc1ccc(CC[NH2+]C/C=C\Cl)cc1 ZINC001662813936 1354852431 /nfs/dbraw/zinc/85/24/31/1354852431.db2.gz JNZXVSGXPZGRJT-XFSBKJJWSA-N 2 2 332.835 2.153 10 0 EEAELP Cc1ncccc1C[NH2+]CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001663999602 1355071023 /nfs/dbraw/zinc/07/10/23/1355071023.db2.gz DIGJZJSXGHPSSI-GOSISDBHSA-N 2 2 343.475 2.422 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001665001299 1355262785 /nfs/dbraw/zinc/26/27/85/1355262785.db2.gz VEJXSHARHMXIDO-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCCCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001665001299 1355262791 /nfs/dbraw/zinc/26/27/91/1355262791.db2.gz VEJXSHARHMXIDO-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]Cc1nc2ccccc2o1 ZINC001666558209 1355544722 /nfs/dbraw/zinc/54/47/22/1355544722.db2.gz LBFFOXQGFWQGSJ-CYBMUJFWSA-N 2 2 341.415 2.026 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@@H]1CC[NH2+]C/C=C\Cl ZINC001667272777 1355695310 /nfs/dbraw/zinc/69/53/10/1355695310.db2.gz IPXGJVIASQTALH-KHSJVXASSA-N 2 2 338.883 2.466 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001668224052 1355902506 /nfs/dbraw/zinc/90/25/06/1355902506.db2.gz KTVBBJMVWZVABB-STQMWFEESA-N 2 2 328.407 2.262 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC001668296326 1355917599 /nfs/dbraw/zinc/91/75/99/1355917599.db2.gz YUKOIFUJSRLFPU-INIZCTEOSA-N 2 2 328.460 2.346 10 0 EEAELP CCOC1CC(C[NH2+]CCCN(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001670174395 1356291260 /nfs/dbraw/zinc/29/12/60/1356291260.db2.gz VYIGRMOWXOGJLL-UHFFFAOYSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001672247058 1356487995 /nfs/dbraw/zinc/48/79/95/1356487995.db2.gz QQPICUIYLFODOK-UONOGXRCSA-N 2 2 346.397 2.442 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001672816656 1356591914 /nfs/dbraw/zinc/59/19/14/1356591914.db2.gz SYPUIWPXCAIOSJ-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP COCCCCC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001673021446 1356633847 /nfs/dbraw/zinc/63/38/47/1356633847.db2.gz WYKDSDXFWFXXGP-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)Cn1cc[nH+]c1 ZINC001673492113 1356696095 /nfs/dbraw/zinc/69/60/95/1356696095.db2.gz WWQSQYYSGOINFJ-UHFFFAOYSA-N 2 2 339.443 2.345 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)Cn1cc[nH+]c1 ZINC001673492113 1356696097 /nfs/dbraw/zinc/69/60/97/1356696097.db2.gz WWQSQYYSGOINFJ-UHFFFAOYSA-N 2 2 339.443 2.345 10 0 EEAELP CC(C)OCC[NH2+][C@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001698968285 1405191509 /nfs/dbraw/zinc/19/15/09/1405191509.db2.gz UVZLGVLVEHNHRO-OAHLLOKOSA-N 2 2 332.448 2.103 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCCCF)C1 ZINC001699007831 1405217960 /nfs/dbraw/zinc/21/79/60/1405217960.db2.gz GIVDFTXHDHDSTD-DLBZAZTESA-N 2 2 336.455 2.336 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001699007831 1405217963 /nfs/dbraw/zinc/21/79/63/1405217963.db2.gz GIVDFTXHDHDSTD-DLBZAZTESA-N 2 2 336.455 2.336 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)sn1 ZINC001699538069 1405376952 /nfs/dbraw/zinc/37/69/52/1405376952.db2.gz PNTCSMKZGNTWPD-AWEZNQCLSA-N 2 2 335.477 2.237 10 0 EEAELP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CC2(CC[NH+]2Cc2ccccc2)C1 ZINC000910776800 787036502 /nfs/dbraw/zinc/03/65/02/787036502.db2.gz FGUWMBQXOCSMGG-RBUKOAKNSA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@H]1CC[C@@H]2CCCC[N@@H+]12)N1CC2(CC[NH+]2Cc2ccccc2)C1 ZINC000910776800 787036515 /nfs/dbraw/zinc/03/65/15/787036515.db2.gz FGUWMBQXOCSMGG-RBUKOAKNSA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@H]1CC[C@@H]2CCCC[NH+]12)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776800 787036525 /nfs/dbraw/zinc/03/65/25/787036525.db2.gz FGUWMBQXOCSMGG-RBUKOAKNSA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@H]1CC[C@@H]2CCCC[NH+]12)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776800 787036533 /nfs/dbraw/zinc/03/65/33/787036533.db2.gz FGUWMBQXOCSMGG-RBUKOAKNSA-N 2 2 339.483 2.490 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000923397148 789492892 /nfs/dbraw/zinc/49/28/92/789492892.db2.gz ALVOPQXPYKAYKZ-KBPBESRZSA-N 2 2 325.250 2.357 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001436420424 1087780252 /nfs/dbraw/zinc/78/02/52/1087780252.db2.gz GNLQFDNTLAXDNA-GOEBONIOSA-N 2 2 332.492 2.273 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001436833846 1088451956 /nfs/dbraw/zinc/45/19/56/1088451956.db2.gz DSIWGFMRPFDQPU-KRWDZBQOSA-N 2 2 348.397 2.223 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001437207481 1089281232 /nfs/dbraw/zinc/28/12/32/1089281232.db2.gz SQAVOOBCSABBGQ-DJIMGWMZSA-N 2 2 326.444 2.127 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@H+](C)CCOC2CCC2)C1 ZINC001437353464 1089573495 /nfs/dbraw/zinc/57/34/95/1089573495.db2.gz QKKMGXOKNQOCKD-DOTOQJQBSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCOC2CCC2)C1 ZINC001437353464 1089573501 /nfs/dbraw/zinc/57/35/01/1089573501.db2.gz QKKMGXOKNQOCKD-DOTOQJQBSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@H+](C)CCOC2CCC2)C1 ZINC001437353464 1089573511 /nfs/dbraw/zinc/57/35/11/1089573511.db2.gz QKKMGXOKNQOCKD-DOTOQJQBSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]([N@@H+](C)CCOC2CCC2)C1 ZINC001437353464 1089573516 /nfs/dbraw/zinc/57/35/16/1089573516.db2.gz QKKMGXOKNQOCKD-DOTOQJQBSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001437427377 1089720333 /nfs/dbraw/zinc/72/03/33/1089720333.db2.gz JJYNGNORRZCHPT-KGLIPLIRSA-N 2 2 328.407 2.193 10 0 EEAELP C[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCc2ccc(Cl)cc21 ZINC001437537986 1089981186 /nfs/dbraw/zinc/98/11/86/1089981186.db2.gz PQDXVWPUEFKXOF-HNNXBMFYSA-N 2 2 332.835 2.341 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCc2ccc(Cl)cc21 ZINC001437537986 1089981210 /nfs/dbraw/zinc/98/12/10/1089981210.db2.gz PQDXVWPUEFKXOF-HNNXBMFYSA-N 2 2 332.835 2.341 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001437550506 1090010611 /nfs/dbraw/zinc/01/06/11/1090010611.db2.gz HIVCGCVIDSRPFU-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001437550506 1090010623 /nfs/dbraw/zinc/01/06/23/1090010623.db2.gz HIVCGCVIDSRPFU-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP C[C@H](CC(=O)NCC[C@@H]1CC[N@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001437932296 1090526238 /nfs/dbraw/zinc/52/62/38/1090526238.db2.gz APVMWBOKLLMKEA-HUUCEWRRSA-N 2 2 347.488 2.319 10 0 EEAELP C[C@H](CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001437932296 1090526241 /nfs/dbraw/zinc/52/62/41/1090526241.db2.gz APVMWBOKLLMKEA-HUUCEWRRSA-N 2 2 347.488 2.319 10 0 EEAELP CO[C@H](C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001438054483 1090622389 /nfs/dbraw/zinc/62/23/89/1090622389.db2.gz UNYIUJJWIBWZQE-RBUKOAKNSA-N 2 2 345.487 2.049 10 0 EEAELP CO[C@H](C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001438054483 1090622391 /nfs/dbraw/zinc/62/23/91/1090622391.db2.gz UNYIUJJWIBWZQE-RBUKOAKNSA-N 2 2 345.487 2.049 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2nc(C)cs2)C1)[NH+](CC)CC ZINC001438196742 1090691251 /nfs/dbraw/zinc/69/12/51/1090691251.db2.gz GZBZMHWYIISBGP-GJZGRUSLSA-N 2 2 338.521 2.262 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1)[NH+](CC)CC ZINC001438196742 1090691253 /nfs/dbraw/zinc/69/12/53/1090691253.db2.gz GZBZMHWYIISBGP-GJZGRUSLSA-N 2 2 338.521 2.262 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001438265876 1090748279 /nfs/dbraw/zinc/74/82/79/1090748279.db2.gz LCYNLDSGECIROB-JKSUJKDBSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001438265876 1090748284 /nfs/dbraw/zinc/74/82/84/1090748284.db2.gz LCYNLDSGECIROB-JKSUJKDBSA-N 2 2 345.447 2.254 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(C)c1 ZINC001438340505 1090816541 /nfs/dbraw/zinc/81/65/41/1090816541.db2.gz KQLZXWHBJUXJBT-ROUUACIJSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1cc(C[NH2+]C[C@](C)(NC(=O)Cc2[nH]c[nH+]c2C)C2CC2)sn1 ZINC001438426537 1090923344 /nfs/dbraw/zinc/92/33/44/1090923344.db2.gz LEZCNPYSOGHJDZ-KRWDZBQOSA-N 2 2 347.488 2.100 10 0 EEAELP Cc1nc(C)c(C[NH2+]C[C@@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)s1 ZINC001438429722 1090927585 /nfs/dbraw/zinc/92/75/85/1090927585.db2.gz UPSNLAFWUBITIM-QGZVFWFLSA-N 2 2 347.488 2.031 10 0 EEAELP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001438442540 1090944472 /nfs/dbraw/zinc/94/44/72/1090944472.db2.gz LFVAFOOGBHNBFK-OXGONZEZSA-N 2 2 336.455 2.289 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001438542855 1091033941 /nfs/dbraw/zinc/03/39/41/1091033941.db2.gz HEBPSUACGUSPEA-GFCCVEGCSA-N 2 2 347.463 2.223 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001445447311 1091209687 /nfs/dbraw/zinc/20/96/87/1091209687.db2.gz AWYFOGMTZVTGKC-HZPDHXFCSA-N 2 2 328.460 2.500 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001445447311 1091209695 /nfs/dbraw/zinc/20/96/95/1091209695.db2.gz AWYFOGMTZVTGKC-HZPDHXFCSA-N 2 2 328.460 2.500 10 0 EEAELP Cc1ccncc1C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438710030 1091226161 /nfs/dbraw/zinc/22/61/61/1091226161.db2.gz PISFJEMGINTUGB-AWEZNQCLSA-N 2 2 329.448 2.027 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1csc(C)n1 ZINC001445732837 1091555935 /nfs/dbraw/zinc/55/59/35/1091555935.db2.gz KNAUFYRIOPWBEN-CZUORRHYSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1csc(C)n1 ZINC001445732837 1091555939 /nfs/dbraw/zinc/55/59/39/1091555939.db2.gz KNAUFYRIOPWBEN-CZUORRHYSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1csc(C)n1 ZINC001445732837 1091555946 /nfs/dbraw/zinc/55/59/46/1091555946.db2.gz KNAUFYRIOPWBEN-CZUORRHYSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1csc(C)n1 ZINC001445732837 1091555948 /nfs/dbraw/zinc/55/59/48/1091555948.db2.gz KNAUFYRIOPWBEN-CZUORRHYSA-N 2 2 338.521 2.262 10 0 EEAELP C[C@@H](C[N@H+](C)CC=C(Cl)Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445760319 1091605761 /nfs/dbraw/zinc/60/57/61/1091605761.db2.gz WCBOSGCILZBLCA-WCQYABFASA-N 2 2 334.291 2.084 10 0 EEAELP C[C@@H](C[N@@H+](C)CC=C(Cl)Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445760319 1091605765 /nfs/dbraw/zinc/60/57/65/1091605765.db2.gz WCBOSGCILZBLCA-WCQYABFASA-N 2 2 334.291 2.084 10 0 EEAELP CC(C)c1ocnc1C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001439396815 1092149106 /nfs/dbraw/zinc/14/91/06/1092149106.db2.gz HJNHYISMSRPTJG-HUUCEWRRSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001439396815 1092149108 /nfs/dbraw/zinc/14/91/08/1092149108.db2.gz HJNHYISMSRPTJG-HUUCEWRRSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439396815 1092149111 /nfs/dbraw/zinc/14/91/11/1092149111.db2.gz HJNHYISMSRPTJG-HUUCEWRRSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439396815 1092149117 /nfs/dbraw/zinc/14/91/17/1092149117.db2.gz HJNHYISMSRPTJG-HUUCEWRRSA-N 2 2 336.480 2.076 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1)c1ccc(F)cc1 ZINC001439672553 1092612609 /nfs/dbraw/zinc/61/26/09/1092612609.db2.gz YNVGSVYRBIPQKB-AWEZNQCLSA-N 2 2 344.434 2.491 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](C[C@H]1CCOC1)C1CCCCCC1 ZINC001439691997 1092641014 /nfs/dbraw/zinc/64/10/14/1092641014.db2.gz GBIUNQKEFSFWDK-QGZVFWFLSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](C[C@H]1CCOC1)C1CCCCCC1 ZINC001439691997 1092641015 /nfs/dbraw/zinc/64/10/15/1092641015.db2.gz GBIUNQKEFSFWDK-QGZVFWFLSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001439856093 1092880050 /nfs/dbraw/zinc/88/00/50/1092880050.db2.gz PGIVQRSGGROHAF-SFHVURJKSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001439856093 1092880060 /nfs/dbraw/zinc/88/00/60/1092880060.db2.gz PGIVQRSGGROHAF-SFHVURJKSA-N 2 2 348.397 2.251 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCC2(C[NH+](CC)C2)O1)c1ccccc1 ZINC001440497943 1093738229 /nfs/dbraw/zinc/73/82/29/1093738229.db2.gz FJSZPHAALQSAEU-QZTJIDSGSA-N 2 2 345.487 2.049 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCC2(C[NH+](CC)C2)O1)c1ccccc1 ZINC001440497943 1093738233 /nfs/dbraw/zinc/73/82/33/1093738233.db2.gz FJSZPHAALQSAEU-QZTJIDSGSA-N 2 2 345.487 2.049 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC2(C[NH+](CC)C2)O1)c1ccccc1 ZINC001440497945 1093738650 /nfs/dbraw/zinc/73/86/50/1093738650.db2.gz FJSZPHAALQSAEU-ROUUACIJSA-N 2 2 345.487 2.049 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC2(C[NH+](CC)C2)O1)c1ccccc1 ZINC001440497945 1093738653 /nfs/dbraw/zinc/73/86/53/1093738653.db2.gz FJSZPHAALQSAEU-ROUUACIJSA-N 2 2 345.487 2.049 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc2ncc(C)s2)c[nH+]1 ZINC001448687836 1093751185 /nfs/dbraw/zinc/75/11/85/1093751185.db2.gz WLSWGRDVEYJLQR-GFCCVEGCSA-N 2 2 349.504 2.328 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cccc(F)c1 ZINC001448706973 1093774540 /nfs/dbraw/zinc/77/45/40/1093774540.db2.gz WGESPGHZGGVGJO-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1cnc(C[NH+](C)C[C@@H]2CCCN2C(=O)C[N@H+](C)C(C)C)s1 ZINC001440749570 1093995659 /nfs/dbraw/zinc/99/56/59/1093995659.db2.gz NWPWNWTYBOUOAH-HNNXBMFYSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cnc(C[NH+](C)C[C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)s1 ZINC001440749570 1093995654 /nfs/dbraw/zinc/99/56/54/1093995654.db2.gz NWPWNWTYBOUOAH-HNNXBMFYSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cnc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C[NH+](C)C(C)C)s1 ZINC001440749570 1093995663 /nfs/dbraw/zinc/99/56/63/1093995663.db2.gz NWPWNWTYBOUOAH-HNNXBMFYSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cnc(C[N@H+](C)C[C@@H]2CCCN2C(=O)C[NH+](C)C(C)C)s1 ZINC001440749570 1093995665 /nfs/dbraw/zinc/99/56/65/1093995665.db2.gz NWPWNWTYBOUOAH-HNNXBMFYSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2cncc(F)c2)c[nH+]1 ZINC001440794426 1094036753 /nfs/dbraw/zinc/03/67/53/1094036753.db2.gz CTOHZBUTKZAUJX-KBPBESRZSA-N 2 2 347.438 2.144 10 0 EEAELP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001440839450 1094094642 /nfs/dbraw/zinc/09/46/42/1094094642.db2.gz LIVMJAYEJBZDNG-JKSUJKDBSA-N 2 2 328.460 2.262 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CC1CCCCC1 ZINC001440944744 1094197454 /nfs/dbraw/zinc/19/74/54/1094197454.db2.gz PSVWVDOKVAQPKY-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CC1CCCCC1 ZINC001440944744 1094197471 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2.397 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001441613741 1095477386 /nfs/dbraw/zinc/47/73/86/1095477386.db2.gz UWSLRMLEWMDTQG-OLZOCXBDSA-N 2 2 333.436 2.076 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001443190214 1097635290 /nfs/dbraw/zinc/63/52/90/1097635290.db2.gz RLMLAHCFOSERBV-OAHLLOKOSA-N 2 2 338.521 2.296 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001443190214 1097635296 /nfs/dbraw/zinc/63/52/96/1097635296.db2.gz RLMLAHCFOSERBV-OAHLLOKOSA-N 2 2 338.521 2.296 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2nccs2)C1 ZINC001443190214 1097635299 /nfs/dbraw/zinc/63/52/99/1097635299.db2.gz RLMLAHCFOSERBV-OAHLLOKOSA-N 2 2 338.521 2.296 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2nccs2)C1 ZINC001443190214 1097635303 /nfs/dbraw/zinc/63/53/03/1097635303.db2.gz RLMLAHCFOSERBV-OAHLLOKOSA-N 2 2 338.521 2.296 10 0 EEAELP C[N@H+](C/C=C\Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001443336824 1097852412 /nfs/dbraw/zinc/85/24/12/1097852412.db2.gz SQMKUIMSINZSDW-DZKNULOGSA-N 2 2 336.867 2.436 10 0 EEAELP C[N@@H+](C/C=C\Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001443336824 1097852415 /nfs/dbraw/zinc/85/24/15/1097852415.db2.gz SQMKUIMSINZSDW-DZKNULOGSA-N 2 2 336.867 2.436 10 0 EEAELP C[N@H+](C/C=C\Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001443336824 1097852421 /nfs/dbraw/zinc/85/24/21/1097852421.db2.gz SQMKUIMSINZSDW-DZKNULOGSA-N 2 2 336.867 2.436 10 0 EEAELP C[N@@H+](C/C=C\Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001443336824 1097852428 /nfs/dbraw/zinc/85/24/28/1097852428.db2.gz SQMKUIMSINZSDW-DZKNULOGSA-N 2 2 336.867 2.436 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001479481411 1098559770 /nfs/dbraw/zinc/55/97/70/1098559770.db2.gz HIQXZIDVCWOEBX-QWHCGFSZSA-N 2 2 347.850 2.075 10 0 EEAELP C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001479757645 1098911795 /nfs/dbraw/zinc/91/17/95/1098911795.db2.gz SLZHPCSLVJEOSB-GOEBONIOSA-N 2 2 346.500 2.299 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc2ccccc2o1 ZINC001479816764 1099089954 /nfs/dbraw/zinc/08/99/54/1099089954.db2.gz MKXNTOZPIFPFFT-UHFFFAOYSA-N 2 2 326.400 2.268 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc2ccccc2o1 ZINC001479816764 1099089965 /nfs/dbraw/zinc/08/99/65/1099089965.db2.gz MKXNTOZPIFPFFT-UHFFFAOYSA-N 2 2 326.400 2.268 10 0 EEAELP C[C@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001444690234 1099539647 /nfs/dbraw/zinc/53/96/47/1099539647.db2.gz ORSAEJWAXSZWQQ-OLZOCXBDSA-N 2 2 328.407 2.214 10 0 EEAELP CCc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001480162262 1099736921 /nfs/dbraw/zinc/73/69/21/1099736921.db2.gz NPVGQAHGVJGVLS-QEJZJMRPSA-N 2 2 345.447 2.130 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)n1cc[nH+]c1 ZINC001480226266 1099846477 /nfs/dbraw/zinc/84/64/77/1099846477.db2.gz PBTBWRMWFVGVNQ-RYQLBKOJSA-N 2 2 326.444 2.314 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1ccsc1)C2 ZINC001445034048 1100206610 /nfs/dbraw/zinc/20/66/10/1100206610.db2.gz NHKAQNPIAUFMPH-INIZCTEOSA-N 2 2 346.500 2.406 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N(C)CC[N@@H+](C)Cc1ccsc1)C2 ZINC001445034048 1100206617 /nfs/dbraw/zinc/20/66/17/1100206617.db2.gz NHKAQNPIAUFMPH-INIZCTEOSA-N 2 2 346.500 2.406 10 0 EEAELP Cc1cc(C[NH+](C)CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)sn1 ZINC001445074660 1100281783 /nfs/dbraw/zinc/28/17/83/1100281783.db2.gz POUAQBCCUPDJMA-GASCZTMLSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cc(C[NH+](C)CCN(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)sn1 ZINC001445074660 1100281789 /nfs/dbraw/zinc/28/17/89/1100281789.db2.gz POUAQBCCUPDJMA-GASCZTMLSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cc(C[N@@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)sn1 ZINC001445074660 1100281801 /nfs/dbraw/zinc/28/18/01/1100281801.db2.gz POUAQBCCUPDJMA-GASCZTMLSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cc(C[N@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)sn1 ZINC001445074660 1100281805 /nfs/dbraw/zinc/28/18/05/1100281805.db2.gz POUAQBCCUPDJMA-GASCZTMLSA-N 2 2 338.521 2.215 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCOc2c(C)cccc2C)C1 ZINC001446401173 1100797827 /nfs/dbraw/zinc/79/78/27/1100797827.db2.gz WGGGDMJBYHYUJV-UHFFFAOYSA-N 2 2 347.503 2.167 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CCOc2c(C)cccc2C)C1 ZINC001446401173 1100797833 /nfs/dbraw/zinc/79/78/33/1100797833.db2.gz WGGGDMJBYHYUJV-UHFFFAOYSA-N 2 2 347.503 2.167 10 0 EEAELP CC(C)=CC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001496562647 1101164584 /nfs/dbraw/zinc/16/45/84/1101164584.db2.gz SUQRFLMOZWTINE-MSOLQXFVSA-N 2 2 347.507 2.487 10 0 EEAELP CC(C)=CC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001496562647 1101164589 /nfs/dbraw/zinc/16/45/89/1101164589.db2.gz SUQRFLMOZWTINE-MSOLQXFVSA-N 2 2 347.507 2.487 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)F)CC1 ZINC001495481841 1101191539 /nfs/dbraw/zinc/19/15/39/1101191539.db2.gz MXFNDROZCXVMJZ-HAQNSBGRSA-N 2 2 341.393 2.244 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)F)CC1 ZINC001495481841 1101191544 /nfs/dbraw/zinc/19/15/44/1101191544.db2.gz MXFNDROZCXVMJZ-HAQNSBGRSA-N 2 2 341.393 2.244 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@H](CNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c1 ZINC001496608381 1101211135 /nfs/dbraw/zinc/21/11/35/1101211135.db2.gz SNHKSEKIBLIUQH-KBXCAEBGSA-N 2 2 344.459 2.452 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001495713762 1101474709 /nfs/dbraw/zinc/47/47/09/1101474709.db2.gz KWFWBNZKCMKDNF-OAHLLOKOSA-N 2 2 339.443 2.297 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)o1 ZINC001496171237 1102167823 /nfs/dbraw/zinc/16/78/23/1102167823.db2.gz KJFYPUUDWAODFY-QWHCGFSZSA-N 2 2 333.436 2.076 10 0 EEAELP C[C@@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497267353 1102223937 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2.111 10 0 EEAELP Cc1ncsc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001447934051 1103634584 /nfs/dbraw/zinc/63/45/84/1103634584.db2.gz DGEBAJICDWCZLG-STQMWFEESA-N 2 2 335.477 2.111 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001494851695 1104454475 /nfs/dbraw/zinc/45/44/75/1104454475.db2.gz VICKJHUQDXSYQA-ZBFHGGJFSA-N 2 2 345.447 2.118 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001494851695 1104454478 /nfs/dbraw/zinc/45/44/78/1104454478.db2.gz VICKJHUQDXSYQA-ZBFHGGJFSA-N 2 2 345.447 2.118 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC001494875064 1104485726 /nfs/dbraw/zinc/48/57/26/1104485726.db2.gz IINKPMACGYEUQR-HNNXBMFYSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2cccc(F)c2F)C1 ZINC001494875064 1104485728 /nfs/dbraw/zinc/48/57/28/1104485728.db2.gz IINKPMACGYEUQR-HNNXBMFYSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001494875064 1104485734 /nfs/dbraw/zinc/48/57/34/1104485734.db2.gz IINKPMACGYEUQR-HNNXBMFYSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001494875064 1104485737 /nfs/dbraw/zinc/48/57/37/1104485737.db2.gz IINKPMACGYEUQR-HNNXBMFYSA-N 2 2 339.430 2.338 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001498393967 1107445519 /nfs/dbraw/zinc/44/55/19/1107445519.db2.gz ZGFXMOHLIYFEMX-HZPDHXFCSA-N 2 2 344.459 2.480 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001498393967 1107445522 /nfs/dbraw/zinc/44/55/22/1107445522.db2.gz ZGFXMOHLIYFEMX-HZPDHXFCSA-N 2 2 344.459 2.480 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C[NH2+]Cc2cscn2)C2CC2)c[nH+]1 ZINC001498779442 1108086599 /nfs/dbraw/zinc/08/65/99/1108086599.db2.gz SREFVKODDYPCLD-HNNXBMFYSA-N 2 2 347.488 2.068 10 0 EEAELP C[C@@H]1COC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001460818016 1110325209 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0 EEAELP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001499775090 1112481715 /nfs/dbraw/zinc/48/17/15/1112481715.db2.gz TZWBDKJAOSOEBF-UHFFFAOYSA-N 2 2 340.471 2.219 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@H+](C)Cc2cnc(C)o2)c[nH+]1 ZINC001502345328 1113637711 /nfs/dbraw/zinc/63/77/11/1113637711.db2.gz CDWFGFKPIRVFJF-UHFFFAOYSA-N 2 2 347.463 2.204 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc2cnc(C)o2)c[nH+]1 ZINC001502345328 1113637712 /nfs/dbraw/zinc/63/77/12/1113637712.db2.gz CDWFGFKPIRVFJF-UHFFFAOYSA-N 2 2 347.463 2.204 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1coc(C)n1 ZINC001502401888 1113667513 /nfs/dbraw/zinc/66/75/13/1113667513.db2.gz UPVMOHJLQLHWNE-KRWDZBQOSA-N 2 2 336.480 2.138 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH+](C)Cc1coc(C)n1 ZINC001502401888 1113667514 /nfs/dbraw/zinc/66/75/14/1113667514.db2.gz UPVMOHJLQLHWNE-KRWDZBQOSA-N 2 2 336.480 2.138 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@H+](C)Cc1coc(C)n1 ZINC001502401888 1113667517 /nfs/dbraw/zinc/66/75/17/1113667517.db2.gz UPVMOHJLQLHWNE-KRWDZBQOSA-N 2 2 336.480 2.138 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)N(C)CCC[N@@H+](C)Cc1coc(C)n1 ZINC001502401888 1113667518 /nfs/dbraw/zinc/66/75/18/1113667518.db2.gz UPVMOHJLQLHWNE-KRWDZBQOSA-N 2 2 336.480 2.138 10 0 EEAELP CC(C)(C(=O)N1CCC(C)([NH2+]CCOC2CCC2)CC1)c1c[nH+]c[nH]1 ZINC001502805906 1113806498 /nfs/dbraw/zinc/80/64/98/1113806498.db2.gz ZITRGVQKTNMDNJ-UHFFFAOYSA-N 2 2 348.491 2.227 10 0 EEAELP CN(CC(C)(C)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001505836249 1114223851 /nfs/dbraw/zinc/22/38/51/1114223851.db2.gz BJFFVDSPDTYDCN-OAGGEKHMSA-N 2 2 332.492 2.463 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@H+](Cc3ccccc3Cl)C[C@H]21 ZINC001506816899 1114893027 /nfs/dbraw/zinc/89/30/27/1114893027.db2.gz FOVOPTQFMPEVNV-QKDCVEJESA-N 2 2 344.846 2.100 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3Cl)C[C@H]21 ZINC001506816899 1114893031 /nfs/dbraw/zinc/89/30/31/1114893031.db2.gz FOVOPTQFMPEVNV-QKDCVEJESA-N 2 2 344.846 2.100 10 0 EEAELP C[C@H](CCC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001506943619 1114992101 /nfs/dbraw/zinc/99/21/01/1114992101.db2.gz UGBUKOSYFSMSNC-OLZOCXBDSA-N 2 2 328.407 2.262 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC([N@H+](C)CC[C@@H](C)F)CC1 ZINC001506962594 1115011195 /nfs/dbraw/zinc/01/11/95/1115011195.db2.gz SBQPUANTNBEZAS-CQSZACIVSA-N 2 2 337.439 2.304 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC([N@@H+](C)CC[C@@H](C)F)CC1 ZINC001506962594 1115011196 /nfs/dbraw/zinc/01/11/96/1115011196.db2.gz SBQPUANTNBEZAS-CQSZACIVSA-N 2 2 337.439 2.304 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1Cl ZINC001507163920 1115142980 /nfs/dbraw/zinc/14/29/80/1115142980.db2.gz OALPFWGPZQZHDU-GFCCVEGCSA-N 2 2 338.814 2.312 10 0 EEAELP COCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001507315467 1115188304 /nfs/dbraw/zinc/18/83/04/1115188304.db2.gz HGZZQRGRGNYGBP-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2ccccn2)C1)n1cc[nH+]c1 ZINC001508139049 1115426268 /nfs/dbraw/zinc/42/62/68/1115426268.db2.gz LLRSMUARJKAOSG-ODIFPOPNSA-N 2 2 327.432 2.008 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001568062185 1124267002 /nfs/dbraw/zinc/26/70/02/1124267002.db2.gz WQZOFGNVXNFABR-IRXDYDNUSA-N 2 2 330.476 2.074 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001568075580 1124281427 /nfs/dbraw/zinc/28/14/27/1124281427.db2.gz DLXPOAWILOEOHO-HNNXBMFYSA-N 2 2 347.488 2.067 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCCOc1ccccc1 ZINC001568148872 1124327202 /nfs/dbraw/zinc/32/72/02/1124327202.db2.gz GBGPGLQDXJBKMP-MRXNPFEDSA-N 2 2 342.443 2.002 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)C[NH2+]Cc3ocnc3C)ccn12 ZINC001568272910 1124397933 /nfs/dbraw/zinc/39/79/33/1124397933.db2.gz FZGLJTPILZPMDW-GFCCVEGCSA-N 2 2 341.415 2.189 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001568281855 1124402948 /nfs/dbraw/zinc/40/29/48/1124402948.db2.gz YAKJEDKGWBQQPC-NSHDSACASA-N 2 2 327.388 2.110 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568753985 1124768904 /nfs/dbraw/zinc/76/89/04/1124768904.db2.gz RFYKNQVYAKFPIS-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)Cc1[nH]c[nH+]c1C ZINC001568794411 1124807229 /nfs/dbraw/zinc/80/72/29/1124807229.db2.gz XQEMBWAGFCXBAW-UHFFFAOYSA-N 2 2 332.423 2.346 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC/C=C\C[NH2+]CC1CC(C)(C)C1 ZINC001568870956 1124898053 /nfs/dbraw/zinc/89/80/53/1124898053.db2.gz IFRLGQDDXNRPEO-PLNGDYQASA-N 2 2 331.460 2.331 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1csc(Cl)n1 ZINC001568874139 1124900481 /nfs/dbraw/zinc/90/04/81/1124900481.db2.gz ZVSAGFDJTABOGK-DHCBQETCSA-N 2 2 342.896 2.043 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1csc(Cl)n1 ZINC001568874139 1124900493 /nfs/dbraw/zinc/90/04/93/1124900493.db2.gz ZVSAGFDJTABOGK-DHCBQETCSA-N 2 2 342.896 2.043 10 0 EEAELP COc1cc(C[NH2+]C/C=C/CNC(=O)Cc2[nH]c[nH+]c2C)ccc1C ZINC001568953191 1124986706 /nfs/dbraw/zinc/98/67/06/1124986706.db2.gz AORVWHICGZOOKC-SNAWJCMRSA-N 2 2 342.443 2.040 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)Cc2c[nH+]cn2C)c1 ZINC001569257357 1125199386 /nfs/dbraw/zinc/19/93/86/1125199386.db2.gz DGYVJBDHUATYFF-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000183501488 529799351 /nfs/dbraw/zinc/79/93/51/529799351.db2.gz ZSDQTODIMFSDFI-UHFFFAOYSA-N 2 2 325.416 2.073 10 0 EEAELP C[N@H+](CCn1cc[nH+]c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000131178913 529940780 /nfs/dbraw/zinc/94/07/80/529940780.db2.gz TZLBGKHNXLKJCZ-FQEVSTJZSA-N 3 2 342.487 2.261 10 0 EEAELP C[N@@H+](CCn1cc[nH+]c1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000131178913 529940782 /nfs/dbraw/zinc/94/07/82/529940782.db2.gz TZLBGKHNXLKJCZ-FQEVSTJZSA-N 3 2 342.487 2.261 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COCc1cccs1 ZINC000178328139 232137488 /nfs/dbraw/zinc/13/74/88/232137488.db2.gz OHGLHJZGFRFYQK-CVEARBPZSA-N 2 2 335.473 2.295 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COCc1cccs1 ZINC000178328139 232137492 /nfs/dbraw/zinc/13/74/92/232137492.db2.gz OHGLHJZGFRFYQK-CVEARBPZSA-N 2 2 335.473 2.295 10 0 EEAELP Cc1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2 ZINC000165033980 539541912 /nfs/dbraw/zinc/54/19/12/539541912.db2.gz SKSTUJVAKJKRMR-HNNXBMFYSA-N 2 2 330.476 2.300 10 0 EEAELP Cc1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000165033980 539541916 /nfs/dbraw/zinc/54/19/16/539541916.db2.gz SKSTUJVAKJKRMR-HNNXBMFYSA-N 2 2 330.476 2.300 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422631218 295770245 /nfs/dbraw/zinc/77/02/45/295770245.db2.gz FIXMHKFIQTYOFQ-KMYSJOAASA-N 2 2 331.504 2.288 10 0 EEAELP COc1c(C)c[nH+]c(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1C ZINC000067227172 215124974 /nfs/dbraw/zinc/12/49/74/215124974.db2.gz TUZKYNNOIKKSIP-OAHLLOKOSA-N 2 2 333.476 2.392 10 0 EEAELP COc1c(C)c[nH+]c(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1C ZINC000067227172 215124977 /nfs/dbraw/zinc/12/49/77/215124977.db2.gz TUZKYNNOIKKSIP-OAHLLOKOSA-N 2 2 333.476 2.392 10 0 EEAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3ccccc3Cl)c2N)CC1 ZINC000040756885 213383821 /nfs/dbraw/zinc/38/38/21/213383821.db2.gz RTCDPQZFSXHAHY-UHFFFAOYSA-N 2 2 333.827 2.030 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C(=O)NCCc2[nH+]ccn2C)cc1 ZINC000069384992 215397070 /nfs/dbraw/zinc/39/70/70/215397070.db2.gz IIXBVOJPEXYLDX-UHFFFAOYSA-N 2 2 344.459 2.113 10 0 EEAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000072857943 216318358 /nfs/dbraw/zinc/31/83/58/216318358.db2.gz ADEHSRMLBWLZFY-KBPBESRZSA-N 2 2 335.414 2.061 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000072857943 216318361 /nfs/dbraw/zinc/31/83/61/216318361.db2.gz ADEHSRMLBWLZFY-KBPBESRZSA-N 2 2 335.414 2.061 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000072857943 216318364 /nfs/dbraw/zinc/31/83/64/216318364.db2.gz ADEHSRMLBWLZFY-KBPBESRZSA-N 2 2 335.414 2.061 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000072857943 216318367 /nfs/dbraw/zinc/31/83/67/216318367.db2.gz ADEHSRMLBWLZFY-KBPBESRZSA-N 2 2 335.414 2.061 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140441 240380663 /nfs/dbraw/zinc/38/06/63/240380663.db2.gz YGXCJVBIYAUABJ-VAMGGRTRSA-N 3 2 343.515 2.385 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140441 240380668 /nfs/dbraw/zinc/38/06/68/240380668.db2.gz YGXCJVBIYAUABJ-VAMGGRTRSA-N 3 2 343.515 2.385 10 0 EEAELP Brc1csc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422894594 532980532 /nfs/dbraw/zinc/98/05/32/532980532.db2.gz CLUSSQMXEQHWRX-CHWSQXEVSA-N 2 2 331.279 2.367 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000270671927 256159213 /nfs/dbraw/zinc/15/92/13/256159213.db2.gz FYYJNMBZZRUWJR-DOTOQJQBSA-N 2 2 334.370 2.113 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000270671927 256159215 /nfs/dbraw/zinc/15/92/15/256159215.db2.gz FYYJNMBZZRUWJR-DOTOQJQBSA-N 2 2 334.370 2.113 10 0 EEAELP O=C(NCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000272955028 256252445 /nfs/dbraw/zinc/25/24/45/256252445.db2.gz VNHCDFOMZNOKJB-UHFFFAOYSA-N 2 2 343.393 2.423 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262954677 152345106 /nfs/dbraw/zinc/34/51/06/152345106.db2.gz KAVUPBYALPIKMQ-IAQYHMDHSA-N 2 2 334.370 2.355 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197530 154000431 /nfs/dbraw/zinc/00/04/31/154000431.db2.gz HDHRTUMGHBIKHV-UHFFFAOYSA-N 2 2 330.407 2.387 10 0 EEAELP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000248801559 160361625 /nfs/dbraw/zinc/36/16/25/160361625.db2.gz GBDVBBDMVYUNSZ-UXLLHSPISA-N 2 2 326.400 2.041 10 0 EEAELP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000248801559 160361627 /nfs/dbraw/zinc/36/16/27/160361627.db2.gz GBDVBBDMVYUNSZ-UXLLHSPISA-N 2 2 326.400 2.041 10 0 EEAELP C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc[nH+]c2N(C)C)([NH+](C)C)C1 ZINC000080322389 159140720 /nfs/dbraw/zinc/14/07/20/159140720.db2.gz UBRXUZSJPNCRCU-DNVCBOLYSA-N 2 2 347.507 2.457 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2COC)[C@@H](C)C1 ZINC000245426272 160233960 /nfs/dbraw/zinc/23/39/60/160233960.db2.gz LEOZAHCWBFMXLE-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2COC)[C@@H](C)C1 ZINC000245426272 160233961 /nfs/dbraw/zinc/23/39/61/160233961.db2.gz LEOZAHCWBFMXLE-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2COC)[C@@H](C)C1 ZINC000245426272 160233963 /nfs/dbraw/zinc/23/39/63/160233963.db2.gz LEOZAHCWBFMXLE-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2COC)[C@@H](C)C1 ZINC000245426272 160233964 /nfs/dbraw/zinc/23/39/64/160233964.db2.gz LEOZAHCWBFMXLE-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)CS(C)(=O)=O ZINC000342375415 161060732 /nfs/dbraw/zinc/06/07/32/161060732.db2.gz NBYYRBPIUBEPGT-IAGOWNOFSA-N 2 2 330.538 2.255 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)CS(C)(=O)=O ZINC000342375415 161060733 /nfs/dbraw/zinc/06/07/33/161060733.db2.gz NBYYRBPIUBEPGT-IAGOWNOFSA-N 2 2 330.538 2.255 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000343505446 161142293 /nfs/dbraw/zinc/14/22/93/161142293.db2.gz FCIMFFVAYBTVLN-PDWMJMLSSA-N 2 2 327.472 2.248 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000343505446 161142294 /nfs/dbraw/zinc/14/22/94/161142294.db2.gz FCIMFFVAYBTVLN-PDWMJMLSSA-N 2 2 327.472 2.248 10 0 EEAELP CCC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)[NH+](C)C ZINC000137160672 292459946 /nfs/dbraw/zinc/45/99/46/292459946.db2.gz IMABZFRCPRUTCG-RBUKOAKNSA-N 2 2 347.503 2.215 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](CO)c3ccsc3)c2cc1C ZINC000352032354 162037899 /nfs/dbraw/zinc/03/78/99/162037899.db2.gz LATKYGWPSKWZGR-WBVHZDCISA-N 2 2 345.468 2.399 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCC[N@@H+](C)C1CCCCC1)CC2 ZINC000367806194 166005529 /nfs/dbraw/zinc/00/55/29/166005529.db2.gz ZGHXRXSEXZSTIL-UHFFFAOYSA-N 2 2 333.480 2.371 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCC[N@H+](C)C1CCCCC1)CC2 ZINC000367806194 166005531 /nfs/dbraw/zinc/00/55/31/166005531.db2.gz ZGHXRXSEXZSTIL-UHFFFAOYSA-N 2 2 333.480 2.371 10 0 EEAELP Cc1ccc(C[N@H+](CCO)Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000355647594 163258163 /nfs/dbraw/zinc/25/81/63/163258163.db2.gz HUPPMQLELMJDPA-UHFFFAOYSA-N 2 2 326.400 2.472 10 0 EEAELP Cc1ccc(C[N@@H+](CCO)Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000355647594 163258165 /nfs/dbraw/zinc/25/81/65/163258165.db2.gz HUPPMQLELMJDPA-UHFFFAOYSA-N 2 2 326.400 2.472 10 0 EEAELP CCOc1ccccc1CCC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000360898468 164398043 /nfs/dbraw/zinc/39/80/43/164398043.db2.gz VBMBZNYBKMNXPP-UHFFFAOYSA-N 2 2 347.503 2.160 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000364682930 165231170 /nfs/dbraw/zinc/23/11/70/165231170.db2.gz DCICMTGGFHRNBO-GASCZTMLSA-N 2 2 347.507 2.473 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000364682930 165231174 /nfs/dbraw/zinc/23/11/74/165231174.db2.gz DCICMTGGFHRNBO-GASCZTMLSA-N 2 2 347.507 2.473 10 0 EEAELP COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000123952890 222356602 /nfs/dbraw/zinc/35/66/02/222356602.db2.gz FNQXZSDBVYUBRA-ZIAGYGMSSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000123952890 222356604 /nfs/dbraw/zinc/35/66/04/222356604.db2.gz FNQXZSDBVYUBRA-ZIAGYGMSSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000123952890 222356607 /nfs/dbraw/zinc/35/66/07/222356607.db2.gz FNQXZSDBVYUBRA-ZIAGYGMSSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000123952890 222356608 /nfs/dbraw/zinc/35/66/08/222356608.db2.gz FNQXZSDBVYUBRA-ZIAGYGMSSA-N 2 2 335.448 2.057 10 0 EEAELP Cn1cncc1C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275769661 269140717 /nfs/dbraw/zinc/14/07/17/269140717.db2.gz RDYMAWBFTJZHCC-HNNXBMFYSA-N 2 2 331.489 2.363 10 0 EEAELP Cn1cncc1C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275769661 269140718 /nfs/dbraw/zinc/14/07/18/269140718.db2.gz RDYMAWBFTJZHCC-HNNXBMFYSA-N 2 2 331.489 2.363 10 0 EEAELP Cn1c[nH+]cc1C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275769661 269140719 /nfs/dbraw/zinc/14/07/19/269140719.db2.gz RDYMAWBFTJZHCC-HNNXBMFYSA-N 3 2 331.489 2.363 10 0 EEAELP Cn1c[nH+]cc1C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275769661 269140720 /nfs/dbraw/zinc/14/07/20/269140720.db2.gz RDYMAWBFTJZHCC-HNNXBMFYSA-N 3 2 331.489 2.363 10 0 EEAELP Cc1cc(N2CCC[C@@H]([NH2+]Cc3c[nH+]c4ccc(C)cn34)C2)n(C)n1 ZINC000277663727 269169174 /nfs/dbraw/zinc/16/91/74/269169174.db2.gz HERWUDKSRLMBNL-MRXNPFEDSA-N 2 2 338.459 2.443 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000354336102 274027511 /nfs/dbraw/zinc/02/75/11/274027511.db2.gz VQPFDIAXVFGEME-MRXNPFEDSA-N 2 2 349.866 2.121 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000354336102 274027512 /nfs/dbraw/zinc/02/75/12/274027512.db2.gz VQPFDIAXVFGEME-MRXNPFEDSA-N 2 2 349.866 2.121 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000358246764 274337881 /nfs/dbraw/zinc/33/78/81/274337881.db2.gz KZJWODNLVRKRCB-BVPBIZIASA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000358246764 274337882 /nfs/dbraw/zinc/33/78/82/274337882.db2.gz KZJWODNLVRKRCB-BVPBIZIASA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000358246764 274337883 /nfs/dbraw/zinc/33/78/83/274337883.db2.gz KZJWODNLVRKRCB-BVPBIZIASA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000358246764 274337885 /nfs/dbraw/zinc/33/78/85/274337885.db2.gz KZJWODNLVRKRCB-BVPBIZIASA-N 2 2 337.895 2.251 10 0 EEAELP CC(C)(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000278727076 274394865 /nfs/dbraw/zinc/39/48/65/274394865.db2.gz UAQQZALNCGSHFU-UHFFFAOYSA-N 2 2 345.487 2.009 10 0 EEAELP C[NH+]1CCC(CC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000291468434 275308233 /nfs/dbraw/zinc/30/82/33/275308233.db2.gz LLWKPKCJOKPNJW-UHFFFAOYSA-N 2 2 326.444 2.280 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292131897 275381428 /nfs/dbraw/zinc/38/14/28/275381428.db2.gz LJABSOMMWCSRFO-FQEVSTJZSA-N 2 2 329.488 2.235 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292131897 275381429 /nfs/dbraw/zinc/38/14/29/275381429.db2.gz LJABSOMMWCSRFO-FQEVSTJZSA-N 2 2 329.488 2.235 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292131897 275381431 /nfs/dbraw/zinc/38/14/31/275381431.db2.gz LJABSOMMWCSRFO-FQEVSTJZSA-N 2 2 329.488 2.235 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292131897 275381432 /nfs/dbraw/zinc/38/14/32/275381432.db2.gz LJABSOMMWCSRFO-FQEVSTJZSA-N 2 2 329.488 2.235 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292179635 275389256 /nfs/dbraw/zinc/38/92/56/275389256.db2.gz QLCVNBADYQMTPS-RDTXWAMCSA-N 2 2 333.501 2.049 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292179635 275389258 /nfs/dbraw/zinc/38/92/58/275389258.db2.gz QLCVNBADYQMTPS-RDTXWAMCSA-N 2 2 333.501 2.049 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292179635 275389260 /nfs/dbraw/zinc/38/92/60/275389260.db2.gz QLCVNBADYQMTPS-RDTXWAMCSA-N 2 2 333.501 2.049 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292179635 275389262 /nfs/dbraw/zinc/38/92/62/275389262.db2.gz QLCVNBADYQMTPS-RDTXWAMCSA-N 2 2 333.501 2.049 10 0 EEAELP CC(C)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422698620 277303499 /nfs/dbraw/zinc/30/34/99/277303499.db2.gz ADUZBOZXRBQYSR-WOJBJXKFSA-N 2 2 343.515 2.180 10 0 EEAELP CC(C)(CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422698620 277303500 /nfs/dbraw/zinc/30/35/00/277303500.db2.gz ADUZBOZXRBQYSR-WOJBJXKFSA-N 2 2 343.515 2.180 10 0 EEAELP CC(C)(CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422698620 277303503 /nfs/dbraw/zinc/30/35/03/277303503.db2.gz ADUZBOZXRBQYSR-WOJBJXKFSA-N 2 2 343.515 2.180 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc2c1OCCO2 ZINC000293650349 293260992 /nfs/dbraw/zinc/26/09/92/293260992.db2.gz MZFNLZOZWDFBTE-LJQANCHMSA-N 2 2 332.444 2.384 10 0 EEAELP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc2c1OCCO2 ZINC000293650349 293260994 /nfs/dbraw/zinc/26/09/94/293260994.db2.gz MZFNLZOZWDFBTE-LJQANCHMSA-N 2 2 332.444 2.384 10 0 EEAELP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc2c1OCCO2 ZINC000293650349 293260995 /nfs/dbraw/zinc/26/09/95/293260995.db2.gz MZFNLZOZWDFBTE-LJQANCHMSA-N 2 2 332.444 2.384 10 0 EEAELP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc2c1OCCO2 ZINC000293650349 293260997 /nfs/dbraw/zinc/26/09/97/293260997.db2.gz MZFNLZOZWDFBTE-LJQANCHMSA-N 2 2 332.444 2.384 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000296677399 294037668 /nfs/dbraw/zinc/03/76/68/294037668.db2.gz PZVGFRUIMZCXGI-OAHLLOKOSA-N 2 2 329.448 2.223 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000296677399 294037670 /nfs/dbraw/zinc/03/76/70/294037670.db2.gz PZVGFRUIMZCXGI-OAHLLOKOSA-N 2 2 329.448 2.223 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422631219 298138689 /nfs/dbraw/zinc/13/86/89/298138689.db2.gz FIXMHKFIQTYOFQ-ZIUDEIKKSA-N 2 2 331.504 2.288 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000333153790 312101886 /nfs/dbraw/zinc/10/18/86/312101886.db2.gz MSBLIURNDXMWRI-OBJOEFQTSA-N 2 2 337.493 2.328 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000333153790 312101888 /nfs/dbraw/zinc/10/18/88/312101888.db2.gz MSBLIURNDXMWRI-OBJOEFQTSA-N 2 2 337.493 2.328 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[N@@H+]1C ZINC000340960746 312259996 /nfs/dbraw/zinc/25/99/96/312259996.db2.gz OCMISKNBTYSJPX-AAEUAGOBSA-N 2 2 335.839 2.270 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[N@H+]1C ZINC000340960746 312259997 /nfs/dbraw/zinc/25/99/97/312259997.db2.gz OCMISKNBTYSJPX-AAEUAGOBSA-N 2 2 335.839 2.270 10 0 EEAELP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000369344716 312426656 /nfs/dbraw/zinc/42/66/56/312426656.db2.gz PMNLZPYPTNDEOA-ZDUSSCGKSA-N 2 2 347.463 2.136 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000414936881 313112729 /nfs/dbraw/zinc/11/27/29/313112729.db2.gz BVFQETLXZBBCBV-SKDRFNHKSA-N 2 2 327.222 2.265 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCS(C)(=O)=O)CC1 ZINC000449129821 315421153 /nfs/dbraw/zinc/42/11/53/315421153.db2.gz DQAAKSMZNOUEML-MRXNPFEDSA-N 2 2 338.517 2.106 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449147773 315423766 /nfs/dbraw/zinc/42/37/66/315423766.db2.gz RKKMHSARRLVQSV-HZPDHXFCSA-N 2 2 338.517 2.105 10 0 EEAELP Fc1cc(Br)cnc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000527711735 317249236 /nfs/dbraw/zinc/24/92/36/317249236.db2.gz NYKGISGSXHFWIP-VIFPVBQESA-N 2 2 325.185 2.353 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000528436175 317385612 /nfs/dbraw/zinc/38/56/12/317385612.db2.gz LDMBIJSFNOSCRN-OAHLLOKOSA-N 2 2 328.416 2.223 10 0 EEAELP C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1n1cc[nH+]c1 ZINC000543712795 318167468 /nfs/dbraw/zinc/16/74/68/318167468.db2.gz JSJYVAQSOLQKJI-NVXWUHKLSA-N 2 2 327.432 2.214 10 0 EEAELP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000561125500 318825507 /nfs/dbraw/zinc/82/55/07/318825507.db2.gz XXPGSLAEFPVRJG-QGZVFWFLSA-N 2 2 343.475 2.108 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566243161 319264349 /nfs/dbraw/zinc/26/43/49/319264349.db2.gz ZQPGBPIWUATHMZ-SFHVURJKSA-N 2 2 336.501 2.234 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566243161 319264351 /nfs/dbraw/zinc/26/43/51/319264351.db2.gz ZQPGBPIWUATHMZ-SFHVURJKSA-N 2 2 336.501 2.234 10 0 EEAELP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)Cn1cc[nH+]c1 ZINC000575386611 320104263 /nfs/dbraw/zinc/10/42/63/320104263.db2.gz LTQGIRSGAFPAOG-UHFFFAOYSA-N 2 2 330.457 2.379 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c2[nH+]ccn21 ZINC000578321138 320307609 /nfs/dbraw/zinc/30/76/09/320307609.db2.gz WFQAPTKHHHTKCM-WQVCFCJDSA-N 2 2 325.416 2.157 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578374637 320310911 /nfs/dbraw/zinc/31/09/11/320310911.db2.gz FGLPDEPIYHMZOK-QGZVFWFLSA-N 2 2 326.444 2.258 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578374637 320310913 /nfs/dbraw/zinc/31/09/13/320310913.db2.gz FGLPDEPIYHMZOK-QGZVFWFLSA-N 2 2 326.444 2.258 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3CCc4ccccc4[C@@H]3C[NH3+])cn21 ZINC000580772742 324126038 /nfs/dbraw/zinc/12/60/38/324126038.db2.gz TXYPADNELIDWCT-SFHVURJKSA-N 2 2 349.438 2.410 10 0 EEAELP CN(C)c1nc(N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc[nH+]1 ZINC000581500437 324267247 /nfs/dbraw/zinc/26/72/47/324267247.db2.gz SCZFXJCPPYPPMH-CQSZACIVSA-N 2 2 326.448 2.459 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1cn3cc(Cl)ccc3[nH+]1)C2 ZINC000581912838 324339650 /nfs/dbraw/zinc/33/96/50/324339650.db2.gz FEVNNUFDLFCMJI-LBPRGKRZSA-N 2 2 343.818 2.371 10 0 EEAELP C[C@@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCOCC1 ZINC000623985665 450660956 /nfs/dbraw/zinc/66/09/56/450660956.db2.gz YNIZDVMBOXNJNR-AWEZNQCLSA-N 2 2 325.416 2.263 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000296340056 465162209 /nfs/dbraw/zinc/16/22/09/465162209.db2.gz MZHSQOURJUFUHF-QGZVFWFLSA-N 2 2 341.459 2.367 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000296340056 465162216 /nfs/dbraw/zinc/16/22/16/465162216.db2.gz MZHSQOURJUFUHF-QGZVFWFLSA-N 2 2 341.459 2.367 10 0 EEAELP Cc1cccc(C)c1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000342933481 465398296 /nfs/dbraw/zinc/39/82/96/465398296.db2.gz OQKPLUOCTSGQAH-UHFFFAOYSA-N 2 2 325.460 2.482 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000044949480 462542877 /nfs/dbraw/zinc/54/28/77/462542877.db2.gz GYBAESFHOADZDS-AWEZNQCLSA-N 2 2 347.488 2.311 10 0 EEAELP CCN(CC)c1cc(CCC(=O)NCC[NH+]2CCCCC2)cc[nH+]1 ZINC000065270057 462751497 /nfs/dbraw/zinc/75/14/97/462751497.db2.gz JZRQFAOJZCNXMN-UHFFFAOYSA-N 2 2 332.492 2.463 10 0 EEAELP C[NH+](C)CC(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000133216739 462909288 /nfs/dbraw/zinc/90/92/88/462909288.db2.gz SVHAJGNYTVKILI-UHFFFAOYSA-N 2 2 344.286 2.242 10 0 EEAELP Cc1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1F ZINC000121045767 463069597 /nfs/dbraw/zinc/06/95/97/463069597.db2.gz XSHAZAKRJSCPOM-IBGZPJMESA-N 2 2 349.494 2.361 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(OC(F)F)cc1 ZINC000521876169 468337772 /nfs/dbraw/zinc/33/77/72/468337772.db2.gz OACCLQQHCMUBJH-QGZVFWFLSA-N 2 2 339.386 2.302 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(OC(F)F)cc1 ZINC000521876169 468337775 /nfs/dbraw/zinc/33/77/75/468337775.db2.gz OACCLQQHCMUBJH-QGZVFWFLSA-N 2 2 339.386 2.302 10 0 EEAELP CCC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCOCC1)[NH+](C)C ZINC000137160712 463279596 /nfs/dbraw/zinc/27/95/96/463279596.db2.gz IMABZFRCPRUTCG-RTBURBONSA-N 2 2 347.503 2.215 10 0 EEAELP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069739078 463314552 /nfs/dbraw/zinc/31/45/52/463314552.db2.gz FRIHYRDDBKBJAX-YOEHRIQHSA-N 2 2 337.427 2.202 10 0 EEAELP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069739078 463314557 /nfs/dbraw/zinc/31/45/57/463314557.db2.gz FRIHYRDDBKBJAX-YOEHRIQHSA-N 2 2 337.427 2.202 10 0 EEAELP Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123587044 463352819 /nfs/dbraw/zinc/35/28/19/463352819.db2.gz DKCSNZKKTFOEIB-OAHLLOKOSA-N 2 2 346.500 2.361 10 0 EEAELP Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123587044 463352824 /nfs/dbraw/zinc/35/28/24/463352824.db2.gz DKCSNZKKTFOEIB-OAHLLOKOSA-N 2 2 346.500 2.361 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000151286544 463506649 /nfs/dbraw/zinc/50/66/49/463506649.db2.gz IFOOKFMWPOHXKO-WBVHZDCISA-N 2 2 334.460 2.345 10 0 EEAELP COCc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1OC ZINC000151314563 463511743 /nfs/dbraw/zinc/51/17/43/463511743.db2.gz IPSACCONVKCEMA-MAUKXSAKSA-N 2 2 336.476 2.339 10 0 EEAELP C[C@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000177456508 463708433 /nfs/dbraw/zinc/70/84/33/463708433.db2.gz UQGKDXLOEVHNPL-SJORKVTESA-N 2 2 333.480 2.178 10 0 EEAELP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC([NH+]2CCCC2)CC1 ZINC000177762758 463785332 /nfs/dbraw/zinc/78/53/32/463785332.db2.gz VMMPHAYXVUZDLS-UHFFFAOYSA-N 2 2 327.432 2.104 10 0 EEAELP C[NH+](C)[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)c1ccsc1 ZINC000257365220 463788739 /nfs/dbraw/zinc/78/87/39/463788739.db2.gz QNBCTJSVKVMIOA-LSDHHAIUSA-N 2 2 347.488 2.214 10 0 EEAELP Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178747299 463960770 /nfs/dbraw/zinc/96/07/70/463960770.db2.gz JAACZCFCYYJNGS-OAHLLOKOSA-N 2 2 332.473 2.342 10 0 EEAELP Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178747299 463960774 /nfs/dbraw/zinc/96/07/74/463960774.db2.gz JAACZCFCYYJNGS-OAHLLOKOSA-N 2 2 332.473 2.342 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000195084201 463988784 /nfs/dbraw/zinc/98/87/84/463988784.db2.gz CRGDEAWDFOZKNO-OAHLLOKOSA-N 2 2 326.444 2.295 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000195084201 463988788 /nfs/dbraw/zinc/98/87/88/463988788.db2.gz CRGDEAWDFOZKNO-OAHLLOKOSA-N 2 2 326.444 2.295 10 0 EEAELP C[N@@H+]1CC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@H]1c1ccccc1 ZINC000278827056 463996468 /nfs/dbraw/zinc/99/64/68/463996468.db2.gz ULUSDCPHNSYOIJ-VQIMIIECSA-N 2 2 339.443 2.171 10 0 EEAELP C[N@H+]1CC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@H]1c1ccccc1 ZINC000278827056 463996473 /nfs/dbraw/zinc/99/64/73/463996473.db2.gz ULUSDCPHNSYOIJ-VQIMIIECSA-N 2 2 339.443 2.171 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262576781 464033423 /nfs/dbraw/zinc/03/34/23/464033423.db2.gz ORLXIIMELHFUMK-ZNMIVQPWSA-N 2 2 325.815 2.093 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262576781 464033426 /nfs/dbraw/zinc/03/34/26/464033426.db2.gz ORLXIIMELHFUMK-ZNMIVQPWSA-N 2 2 325.815 2.093 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179265098 464093805 /nfs/dbraw/zinc/09/38/05/464093805.db2.gz CYBUTZKKUOGDLP-MSOLQXFVSA-N 2 2 341.459 2.360 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179265098 464093810 /nfs/dbraw/zinc/09/38/10/464093810.db2.gz CYBUTZKKUOGDLP-MSOLQXFVSA-N 2 2 341.459 2.360 10 0 EEAELP [NH3+]C[C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000579687309 468395732 /nfs/dbraw/zinc/39/57/32/468395732.db2.gz SPISMNPSXALNHZ-CYBMUJFWSA-N 2 2 337.493 2.332 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279949279 464168843 /nfs/dbraw/zinc/16/88/43/464168843.db2.gz SCJRPNVBUMNZGF-KSZLIROESA-N 2 2 349.425 2.453 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279949279 464168849 /nfs/dbraw/zinc/16/88/49/464168849.db2.gz SCJRPNVBUMNZGF-KSZLIROESA-N 2 2 349.425 2.453 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279949279 464168853 /nfs/dbraw/zinc/16/88/53/464168853.db2.gz SCJRPNVBUMNZGF-KSZLIROESA-N 2 2 349.425 2.453 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279949279 464168855 /nfs/dbraw/zinc/16/88/55/464168855.db2.gz SCJRPNVBUMNZGF-KSZLIROESA-N 2 2 349.425 2.453 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292256990 464175405 /nfs/dbraw/zinc/17/54/05/464175405.db2.gz YELFHTWEUDZAHX-KDOFPFPSSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292256990 464175410 /nfs/dbraw/zinc/17/54/10/464175410.db2.gz YELFHTWEUDZAHX-KDOFPFPSSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292256990 464175413 /nfs/dbraw/zinc/17/54/13/464175413.db2.gz YELFHTWEUDZAHX-KDOFPFPSSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292256990 464175420 /nfs/dbraw/zinc/17/54/20/464175420.db2.gz YELFHTWEUDZAHX-KDOFPFPSSA-N 2 2 335.879 2.372 10 0 EEAELP CC[C@@H]1CN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000174737642 464445683 /nfs/dbraw/zinc/44/56/83/464445683.db2.gz LOIMZKMWZPMDDF-DLBZAZTESA-N 2 2 347.507 2.260 10 0 EEAELP CC[C@@H]1CN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC[N@H+]1CCOC ZINC000174737642 464445687 /nfs/dbraw/zinc/44/56/87/464445687.db2.gz LOIMZKMWZPMDDF-DLBZAZTESA-N 2 2 347.507 2.260 10 0 EEAELP CN(C)c1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281912709 464632749 /nfs/dbraw/zinc/63/27/49/464632749.db2.gz CHMPLDINZSVYQG-CYBMUJFWSA-N 2 2 330.436 2.048 10 0 EEAELP CN(C)c1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281912709 464632755 /nfs/dbraw/zinc/63/27/55/464632755.db2.gz CHMPLDINZSVYQG-CYBMUJFWSA-N 2 2 330.436 2.048 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)ccc1F ZINC000182974712 464768879 /nfs/dbraw/zinc/76/88/79/464768879.db2.gz OKNRCUAJXHVURR-IAGOWNOFSA-N 2 2 342.480 2.333 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569002373 468423298 /nfs/dbraw/zinc/42/32/98/468423298.db2.gz BSFVMCBUBKOXEI-FXAWDEMLSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569002373 468423303 /nfs/dbraw/zinc/42/33/03/468423303.db2.gz BSFVMCBUBKOXEI-FXAWDEMLSA-N 2 2 329.488 2.417 10 0 EEAELP CC(C)[NH+]1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000339614003 465387085 /nfs/dbraw/zinc/38/70/85/465387085.db2.gz ITYVUMQRIXDBRC-UHFFFAOYSA-N 2 2 335.839 2.223 10 0 EEAELP CC[C@@H](C)[NH2+][C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccco1 ZINC000359541339 465441968 /nfs/dbraw/zinc/44/19/68/465441968.db2.gz KSCMDBKTRNUXTC-CVEARBPZSA-N 2 2 349.475 2.080 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCCOC2)CC1 ZINC000352195790 465503126 /nfs/dbraw/zinc/50/31/26/465503126.db2.gz UICAYJWKIYUCFX-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCCOC2)CC1 ZINC000352195790 465503129 /nfs/dbraw/zinc/50/31/29/465503129.db2.gz UICAYJWKIYUCFX-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000366345254 465668213 /nfs/dbraw/zinc/66/82/13/465668213.db2.gz JRUKMAYFFMOASJ-SJLPKXTDSA-N 2 2 340.427 2.335 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000366345254 465668218 /nfs/dbraw/zinc/66/82/18/465668218.db2.gz JRUKMAYFFMOASJ-SJLPKXTDSA-N 2 2 340.427 2.335 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000366896356 466001154 /nfs/dbraw/zinc/00/11/54/466001154.db2.gz OETCFOOIXCLXKK-JKSUJKDBSA-N 2 2 336.867 2.042 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000366896356 466001162 /nfs/dbraw/zinc/00/11/62/466001162.db2.gz OETCFOOIXCLXKK-JKSUJKDBSA-N 2 2 336.867 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000371817967 466015900 /nfs/dbraw/zinc/01/59/00/466015900.db2.gz YIJFLBVNEYMYAS-GOSISDBHSA-N 2 2 344.434 2.497 10 0 EEAELP Cc1nc(C2CC2)oc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371893207 466057014 /nfs/dbraw/zinc/05/70/14/466057014.db2.gz FBJNYFDXEIPJSH-MRXNPFEDSA-N 2 2 346.475 2.101 10 0 EEAELP Cc1nc(C2CC2)oc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371893207 466057018 /nfs/dbraw/zinc/05/70/18/466057018.db2.gz FBJNYFDXEIPJSH-MRXNPFEDSA-N 2 2 346.475 2.101 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)[C@H]2CCC[C@H]21 ZINC000353682857 466063603 /nfs/dbraw/zinc/06/36/03/466063603.db2.gz PAZJCRSFIIHUTJ-FGTMMUONSA-N 2 2 343.450 2.428 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)[C@H]2CCC[C@H]21 ZINC000353682857 466063608 /nfs/dbraw/zinc/06/36/08/466063608.db2.gz PAZJCRSFIIHUTJ-FGTMMUONSA-N 2 2 343.450 2.428 10 0 EEAELP Cc1[nH+]ccn1-c1cncc(N2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000301974038 466071931 /nfs/dbraw/zinc/07/19/31/466071931.db2.gz KOJDWBOASYCCAB-UHFFFAOYSA-N 2 2 337.431 2.163 10 0 EEAELP CC[C@@H](O)C[NH+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302679219 466166303 /nfs/dbraw/zinc/16/63/03/466166303.db2.gz VVNBLSGDADDKMT-OAHLLOKOSA-N 2 2 329.444 2.445 10 0 EEAELP C[C@H](O)C[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CCCCC1 ZINC000591476104 468476936 /nfs/dbraw/zinc/47/69/36/468476936.db2.gz FMOOXYOTISXEEX-PXNSSMCTSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CCCCC1 ZINC000591476104 468476939 /nfs/dbraw/zinc/47/69/39/468476939.db2.gz FMOOXYOTISXEEX-PXNSSMCTSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@H](O)C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000591476104 468476942 /nfs/dbraw/zinc/47/69/42/468476942.db2.gz FMOOXYOTISXEEX-PXNSSMCTSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000591476104 468476946 /nfs/dbraw/zinc/47/69/46/468476946.db2.gz FMOOXYOTISXEEX-PXNSSMCTSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302803492 466188264 /nfs/dbraw/zinc/18/82/64/466188264.db2.gz VIEIOVASZGGFAH-CYBMUJFWSA-N 2 2 328.391 2.203 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc2c1OCCO2 ZINC000367699217 466502206 /nfs/dbraw/zinc/50/22/06/466502206.db2.gz GOSIFVDHMIFYOT-AWEZNQCLSA-N 2 2 329.400 2.189 10 0 EEAELP COc1cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc2c1OCCO2 ZINC000367699217 466502211 /nfs/dbraw/zinc/50/22/11/466502211.db2.gz GOSIFVDHMIFYOT-AWEZNQCLSA-N 2 2 329.400 2.189 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000332707128 466554042 /nfs/dbraw/zinc/55/40/42/466554042.db2.gz IPISQIIPDOANAV-HZPDHXFCSA-N 2 2 333.480 2.052 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000332707128 466554049 /nfs/dbraw/zinc/55/40/49/466554049.db2.gz IPISQIIPDOANAV-HZPDHXFCSA-N 2 2 333.480 2.052 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)Cc1ccccc1 ZINC000347313893 466557878 /nfs/dbraw/zinc/55/78/78/466557878.db2.gz DPYXZFRLKHWOBR-WMZOPIPTSA-N 2 2 340.471 2.380 10 0 EEAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488010 466757264 /nfs/dbraw/zinc/75/72/64/466757264.db2.gz DBJUHJQSJGJUAE-YSTOQKLRSA-N 3 2 329.488 2.150 10 0 EEAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488010 466757266 /nfs/dbraw/zinc/75/72/66/466757266.db2.gz DBJUHJQSJGJUAE-YSTOQKLRSA-N 3 2 329.488 2.150 10 0 EEAELP C[N@@H+]1CC[C@@H](CNC(=O)Cc2cn3ccccc3[nH+]2)[C@@H]1c1cccnc1 ZINC000370400310 466862090 /nfs/dbraw/zinc/86/20/90/466862090.db2.gz XXAGBAVQEOMEIJ-JXFKEZNVSA-N 2 2 349.438 2.081 10 0 EEAELP C[N@H+]1CC[C@@H](CNC(=O)Cc2cn3ccccc3[nH+]2)[C@@H]1c1cccnc1 ZINC000370400310 466862094 /nfs/dbraw/zinc/86/20/94/466862094.db2.gz XXAGBAVQEOMEIJ-JXFKEZNVSA-N 2 2 349.438 2.081 10 0 EEAELP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417939381 466995200 /nfs/dbraw/zinc/99/52/00/466995200.db2.gz KCJZALWBPHSEAZ-WKPIXPDZSA-N 2 2 342.846 2.118 10 0 EEAELP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417939381 466995204 /nfs/dbraw/zinc/99/52/04/466995204.db2.gz KCJZALWBPHSEAZ-WKPIXPDZSA-N 2 2 342.846 2.118 10 0 EEAELP F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000424331661 467030358 /nfs/dbraw/zinc/03/03/58/467030358.db2.gz SCFGZSLISIASSR-PMACEKPBSA-N 2 2 347.478 2.010 10 0 EEAELP C[C@H]1CC(C)(C)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000413212359 467191553 /nfs/dbraw/zinc/19/15/53/467191553.db2.gz YGVLYVXNIYGRPB-HNNXBMFYSA-N 2 2 336.524 2.375 10 0 EEAELP c1cncc(C[NH2+]CCCNc2cc(N3CCCCC3)nc[nH+]2)c1 ZINC000420188201 467318394 /nfs/dbraw/zinc/31/83/94/467318394.db2.gz SEKIQZZXDRIWII-UHFFFAOYSA-N 2 2 326.448 2.454 10 0 EEAELP c1cncc(C[NH2+]CCCNc2cc(N3CCCCC3)[nH+]cn2)c1 ZINC000420188201 467318398 /nfs/dbraw/zinc/31/83/98/467318398.db2.gz SEKIQZZXDRIWII-UHFFFAOYSA-N 2 2 326.448 2.454 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000380785688 467373018 /nfs/dbraw/zinc/37/30/18/467373018.db2.gz HARHTIRRDQBVGU-QWHCGFSZSA-N 2 2 345.281 2.039 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000380785688 467373023 /nfs/dbraw/zinc/37/30/23/467373023.db2.gz HARHTIRRDQBVGU-QWHCGFSZSA-N 2 2 345.281 2.039 10 0 EEAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000420358103 467376484 /nfs/dbraw/zinc/37/64/84/467376484.db2.gz DXJRGWHDRVWNAV-VQTJNVASSA-N 2 2 327.472 2.329 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000420358103 467376490 /nfs/dbraw/zinc/37/64/90/467376490.db2.gz DXJRGWHDRVWNAV-VQTJNVASSA-N 2 2 327.472 2.329 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420389396 467391204 /nfs/dbraw/zinc/39/12/04/467391204.db2.gz XMDVUFWPLLAYOI-JXFKEZNVSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420389396 467391208 /nfs/dbraw/zinc/39/12/08/467391208.db2.gz XMDVUFWPLLAYOI-JXFKEZNVSA-N 2 2 327.472 2.430 10 0 EEAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCCO2 ZINC000453269105 467473706 /nfs/dbraw/zinc/47/37/06/467473706.db2.gz RAOWZEVQNNBAKG-YJBOKZPZSA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCCO2 ZINC000453269105 467473711 /nfs/dbraw/zinc/47/37/11/467473711.db2.gz RAOWZEVQNNBAKG-YJBOKZPZSA-N 2 2 334.460 2.345 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449245293 467625699 /nfs/dbraw/zinc/62/56/99/467625699.db2.gz ZVJOKPGXONSXQV-LJQANCHMSA-N 3 2 325.541 2.322 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449245293 467625700 /nfs/dbraw/zinc/62/57/00/467625700.db2.gz ZVJOKPGXONSXQV-LJQANCHMSA-N 3 2 325.541 2.322 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000528649961 467721218 /nfs/dbraw/zinc/72/12/18/467721218.db2.gz OTULIGWAASIEEJ-YJBOKZPZSA-N 2 2 330.476 2.065 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000528934791 467781833 /nfs/dbraw/zinc/78/18/33/467781833.db2.gz UKFKFKMTWUMOKW-DOTOQJQBSA-N 2 2 334.370 2.031 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000528934791 467781838 /nfs/dbraw/zinc/78/18/38/467781838.db2.gz UKFKFKMTWUMOKW-DOTOQJQBSA-N 2 2 334.370 2.031 10 0 EEAELP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000458241846 467796356 /nfs/dbraw/zinc/79/63/56/467796356.db2.gz AJOGGQKOHGMSDE-LBPRGKRZSA-N 2 2 347.385 2.070 10 0 EEAELP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000458241846 467796358 /nfs/dbraw/zinc/79/63/58/467796358.db2.gz AJOGGQKOHGMSDE-LBPRGKRZSA-N 2 2 347.385 2.070 10 0 EEAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000517360827 468082361 /nfs/dbraw/zinc/08/23/61/468082361.db2.gz AZRLRJHMCNXWGS-HZPDHXFCSA-N 2 2 329.444 2.351 10 0 EEAELP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000518685463 468123218 /nfs/dbraw/zinc/12/32/18/468123218.db2.gz RDBUBVKXANLJPC-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000518685463 468123219 /nfs/dbraw/zinc/12/32/19/468123219.db2.gz RDBUBVKXANLJPC-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000519539553 468169846 /nfs/dbraw/zinc/16/98/46/468169846.db2.gz JKEZGZTUUAGRHP-QGZVFWFLSA-N 2 2 342.418 2.117 10 0 EEAELP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000519539553 468169851 /nfs/dbraw/zinc/16/98/51/468169851.db2.gz JKEZGZTUUAGRHP-QGZVFWFLSA-N 2 2 342.418 2.117 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC[C@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000569920862 468563016 /nfs/dbraw/zinc/56/30/16/468563016.db2.gz LJSGOMWFVJTUML-ICSRJNTNSA-N 2 2 342.487 2.286 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC[C@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000569920862 468563020 /nfs/dbraw/zinc/56/30/20/468563020.db2.gz LJSGOMWFVJTUML-ICSRJNTNSA-N 2 2 342.487 2.286 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1C ZINC000582916197 468616198 /nfs/dbraw/zinc/61/61/98/468616198.db2.gz SZLHUKOFXOOSKT-DOTOQJQBSA-N 2 2 332.835 2.444 10 0 EEAELP CC(C)(C)OC(=O)C1CCC(O)(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000600739384 468644067 /nfs/dbraw/zinc/64/40/67/468644067.db2.gz BXHYQAVZVTUFLS-SHYRYGCCSA-N 2 2 349.475 2.120 10 0 EEAELP CC(C)(C)OC(=O)C1CCC(O)(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000600739384 468644073 /nfs/dbraw/zinc/64/40/73/468644073.db2.gz BXHYQAVZVTUFLS-SHYRYGCCSA-N 2 2 349.475 2.120 10 0 EEAELP CCC[N@@H+]1CC[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600751057 468648280 /nfs/dbraw/zinc/64/82/80/468648280.db2.gz ZGSSEMDOXWQVQJ-WUJZJPHMSA-N 2 2 340.508 2.323 10 0 EEAELP CCC[N@H+]1CC[C@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600751057 468648282 /nfs/dbraw/zinc/64/82/82/468648282.db2.gz ZGSSEMDOXWQVQJ-WUJZJPHMSA-N 2 2 340.508 2.323 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571801530 468841264 /nfs/dbraw/zinc/84/12/64/468841264.db2.gz YRUBBDLYXZFIOS-FXAWDEMLSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571801530 468841271 /nfs/dbraw/zinc/84/12/71/468841271.db2.gz YRUBBDLYXZFIOS-FXAWDEMLSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)CCC[NH3+])c(C)c1 ZINC000561191044 468873519 /nfs/dbraw/zinc/87/35/19/468873519.db2.gz SAVKVFIZUZXMLH-QGZVFWFLSA-N 2 2 329.448 2.231 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573370352 469117915 /nfs/dbraw/zinc/11/79/15/469117915.db2.gz BANWNOPJLJURNJ-KSSFIOAISA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573370352 469117920 /nfs/dbraw/zinc/11/79/20/469117920.db2.gz BANWNOPJLJURNJ-KSSFIOAISA-N 2 2 335.879 2.420 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)Cc1ccc(F)cc1C ZINC000573964104 469237756 /nfs/dbraw/zinc/23/77/56/469237756.db2.gz RWULESNIHSVBSK-ZVZYQTTQSA-N 2 2 347.478 2.254 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)Cc1ccc(F)cc1C ZINC000573964104 469237763 /nfs/dbraw/zinc/23/77/63/469237763.db2.gz RWULESNIHSVBSK-ZVZYQTTQSA-N 2 2 347.478 2.254 10 0 EEAELP CCS[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596457017 469273058 /nfs/dbraw/zinc/27/30/58/469273058.db2.gz BXTSEQKCWPSXSY-HOTGVXAUSA-N 2 2 344.569 2.233 10 0 EEAELP CCS[C@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596457017 469273062 /nfs/dbraw/zinc/27/30/62/469273062.db2.gz BXTSEQKCWPSXSY-HOTGVXAUSA-N 2 2 344.569 2.233 10 0 EEAELP COC(=O)[C@H]1CCCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000612402127 469456476 /nfs/dbraw/zinc/45/64/76/469456476.db2.gz ASKAHDUBHZAYPX-QGZVFWFLSA-N 2 2 328.416 2.493 10 0 EEAELP COC(=O)[C@H]1CCCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000612402127 469456480 /nfs/dbraw/zinc/45/64/80/469456480.db2.gz ASKAHDUBHZAYPX-QGZVFWFLSA-N 2 2 328.416 2.493 10 0 EEAELP O[C@@H]1CC[C@H]2CC[N@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)[C@@H]12 ZINC000626139822 469514916 /nfs/dbraw/zinc/51/49/16/469514916.db2.gz ASENCDWPZUBVQJ-MTQWCTHYSA-N 2 2 330.472 2.123 10 0 EEAELP O[C@@H]1CC[C@H]2CC[N@@H+](C[C@H]3C[NH+](Cc4ccccc4)CCCO3)[C@@H]12 ZINC000626139822 469514920 /nfs/dbraw/zinc/51/49/20/469514920.db2.gz ASENCDWPZUBVQJ-MTQWCTHYSA-N 2 2 330.472 2.123 10 0 EEAELP O[C@@H]1CC[C@H]2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)[C@@H]12 ZINC000626139822 469514924 /nfs/dbraw/zinc/51/49/24/469514924.db2.gz ASENCDWPZUBVQJ-MTQWCTHYSA-N 2 2 330.472 2.123 10 0 EEAELP O[C@@H]1CC[C@H]2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)[C@@H]12 ZINC000626139822 469514928 /nfs/dbraw/zinc/51/49/28/469514928.db2.gz ASENCDWPZUBVQJ-MTQWCTHYSA-N 2 2 330.472 2.123 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000629585305 469584663 /nfs/dbraw/zinc/58/46/63/469584663.db2.gz QQLWDERAQXTURK-NXHRZFHOSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCN(c3ccccc3Cl)C1=O)C2 ZINC000629585305 469584668 /nfs/dbraw/zinc/58/46/68/469584668.db2.gz QQLWDERAQXTURK-NXHRZFHOSA-N 2 2 333.863 2.377 10 0 EEAELP C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000629612215 469592341 /nfs/dbraw/zinc/59/23/41/469592341.db2.gz YAZWQZKECAIWCX-XQTSXYSPSA-N 2 2 334.460 2.152 10 0 EEAELP C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2C)c(OC)c1 ZINC000629612215 469592345 /nfs/dbraw/zinc/59/23/45/469592345.db2.gz YAZWQZKECAIWCX-XQTSXYSPSA-N 2 2 334.460 2.152 10 0 EEAELP C[C@@H](OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000629611780 469592718 /nfs/dbraw/zinc/59/27/18/469592718.db2.gz FUCQGAQTGFQGCS-XOKHGSTOSA-N 2 2 326.868 2.462 10 0 EEAELP C[C@@H](OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000629611780 469592724 /nfs/dbraw/zinc/59/27/24/469592724.db2.gz FUCQGAQTGFQGCS-XOKHGSTOSA-N 2 2 326.868 2.462 10 0 EEAELP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000623254017 469598033 /nfs/dbraw/zinc/59/80/33/469598033.db2.gz ADHGSPGXPYVLTN-DOTOQJQBSA-N 2 2 344.846 2.242 10 0 EEAELP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000623254017 469598035 /nfs/dbraw/zinc/59/80/35/469598035.db2.gz ADHGSPGXPYVLTN-DOTOQJQBSA-N 2 2 344.846 2.242 10 0 EEAELP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1)C(C)C ZINC000623268593 469604012 /nfs/dbraw/zinc/60/40/12/469604012.db2.gz RDYZDGXXKLZVNC-QGZVFWFLSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1)C(C)C ZINC000623268593 469604015 /nfs/dbraw/zinc/60/40/15/469604015.db2.gz RDYZDGXXKLZVNC-QGZVFWFLSA-N 2 2 326.444 2.468 10 0 EEAELP Cc1ccc2cccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2n1 ZINC000617766474 469797042 /nfs/dbraw/zinc/79/70/42/469797042.db2.gz LTJSFJBQDOVITR-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP Cc1ccc2cccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2n1 ZINC000617766474 469797044 /nfs/dbraw/zinc/79/70/44/469797044.db2.gz LTJSFJBQDOVITR-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC000617766286 469797611 /nfs/dbraw/zinc/79/76/11/469797611.db2.gz DYPDZTWLESQOES-GOSISDBHSA-N 2 2 331.504 2.496 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCCc2ccccc21 ZINC000617766286 469797613 /nfs/dbraw/zinc/79/76/13/469797613.db2.gz DYPDZTWLESQOES-GOSISDBHSA-N 2 2 331.504 2.496 10 0 EEAELP CCn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617768075 469798518 /nfs/dbraw/zinc/79/85/18/469798518.db2.gz NZNHQKWPLMVVRF-UHFFFAOYSA-N 2 2 330.476 2.275 10 0 EEAELP CCn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617768075 469798520 /nfs/dbraw/zinc/79/85/20/469798520.db2.gz NZNHQKWPLMVVRF-UHFFFAOYSA-N 2 2 330.476 2.275 10 0 EEAELP c1[nH+]cn2c1c(N1CC[NH+](C[C@@H]3CCOC3)CC1)nc1ccccc12 ZINC000624024749 469819954 /nfs/dbraw/zinc/81/99/54/469819954.db2.gz WZUSUVUZVUJXJG-HNNXBMFYSA-N 2 2 337.427 2.041 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000627161180 469829019 /nfs/dbraw/zinc/82/90/19/469829019.db2.gz VMKZBYFRFSTFKA-ARFHVFGLSA-N 2 2 327.432 2.281 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1CC[N@H+](CC)C1 ZINC000617924223 469839469 /nfs/dbraw/zinc/83/94/69/469839469.db2.gz QCLUJMJFUUZWAS-QWHCGFSZSA-N 2 2 346.397 2.399 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1CC[N@@H+](CC)C1 ZINC000617924223 469839474 /nfs/dbraw/zinc/83/94/74/469839474.db2.gz QCLUJMJFUUZWAS-QWHCGFSZSA-N 2 2 346.397 2.399 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)CC2 ZINC000624161050 469860020 /nfs/dbraw/zinc/86/00/20/469860020.db2.gz YWTBORMJGGVGMN-KRWDZBQOSA-N 2 2 332.492 2.382 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000620621888 469876833 /nfs/dbraw/zinc/87/68/33/469876833.db2.gz YWUOZOSZLQZIGC-HOTGVXAUSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000620621888 469876826 /nfs/dbraw/zinc/87/68/26/469876826.db2.gz YWUOZOSZLQZIGC-HOTGVXAUSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000620621888 469876828 /nfs/dbraw/zinc/87/68/28/469876828.db2.gz YWUOZOSZLQZIGC-HOTGVXAUSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000620621888 469876831 /nfs/dbraw/zinc/87/68/31/469876831.db2.gz YWUOZOSZLQZIGC-HOTGVXAUSA-N 2 2 327.513 2.112 10 0 EEAELP CCC(F)(F)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000624662741 469999813 /nfs/dbraw/zinc/99/98/13/469999813.db2.gz WBTHQFQKWDQDGD-UHFFFAOYSA-N 2 2 346.466 2.281 10 0 EEAELP OC[C@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631158817 470082505 /nfs/dbraw/zinc/08/25/05/470082505.db2.gz GXEUKBHBFHKXDJ-RBUKOAKNSA-N 2 2 348.487 2.038 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000621674007 470089553 /nfs/dbraw/zinc/08/95/53/470089553.db2.gz KTFMXNNKCGDBJW-AWEZNQCLSA-N 2 2 343.393 2.480 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(F)F)o1 ZINC000625560805 470164062 /nfs/dbraw/zinc/16/40/62/470164062.db2.gz OCHNVXWKBNCFJZ-UHFFFAOYSA-N 2 2 329.391 2.315 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(F)F)o1 ZINC000625560805 470164063 /nfs/dbraw/zinc/16/40/63/470164063.db2.gz OCHNVXWKBNCFJZ-UHFFFAOYSA-N 2 2 329.391 2.315 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887319 470189389 /nfs/dbraw/zinc/18/93/89/470189389.db2.gz MXMOSQOZSDIGDH-LZLYRXPVSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887319 470189390 /nfs/dbraw/zinc/18/93/90/470189390.db2.gz MXMOSQOZSDIGDH-LZLYRXPVSA-N 2 2 345.487 2.289 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887085 470189512 /nfs/dbraw/zinc/18/95/12/470189512.db2.gz MDCYIQUNQQWWQN-YTQUADARSA-N 2 2 329.488 2.116 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887085 470189513 /nfs/dbraw/zinc/18/95/13/470189513.db2.gz MDCYIQUNQQWWQN-YTQUADARSA-N 2 2 329.488 2.116 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888456 470189783 /nfs/dbraw/zinc/18/97/83/470189783.db2.gz ZLJPXQYOTXRHPB-RBUKOAKNSA-N 2 2 329.488 2.281 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888456 470189784 /nfs/dbraw/zinc/18/97/84/470189784.db2.gz ZLJPXQYOTXRHPB-RBUKOAKNSA-N 2 2 329.488 2.281 10 0 EEAELP CC(C)[C@@H]1N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC12CC=CC2 ZINC000645393035 470290750 /nfs/dbraw/zinc/29/07/50/470290750.db2.gz CRMNXDVLVFISEA-SFHVURJKSA-N 2 2 348.535 2.399 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000645393325 470291044 /nfs/dbraw/zinc/29/10/44/470291044.db2.gz OAVWDSPRSQWWNJ-IEBWSBKVSA-N 2 2 344.503 2.115 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641864428 470503940 /nfs/dbraw/zinc/50/39/40/470503940.db2.gz FDLAICJCYHOCQC-WSNITJDQSA-N 2 2 336.867 2.243 10 0 EEAELP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000649372514 470562769 /nfs/dbraw/zinc/56/27/69/470562769.db2.gz AWUQFEVCNSKCOF-MTNOOBJLSA-N 2 2 338.455 2.106 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646280086 470589832 /nfs/dbraw/zinc/58/98/32/470589832.db2.gz TUHOADZLVGYQIH-HOCLYGCPSA-N 2 2 335.354 2.192 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646280086 470589839 /nfs/dbraw/zinc/58/98/39/470589839.db2.gz TUHOADZLVGYQIH-HOCLYGCPSA-N 2 2 335.354 2.192 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646280087 470589974 /nfs/dbraw/zinc/58/99/74/470589974.db2.gz TUHOADZLVGYQIH-ZBFHGGJFSA-N 2 2 335.354 2.192 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000646280087 470589977 /nfs/dbraw/zinc/58/99/77/470589977.db2.gz TUHOADZLVGYQIH-ZBFHGGJFSA-N 2 2 335.354 2.192 10 0 EEAELP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647631064 470943336 /nfs/dbraw/zinc/94/33/36/470943336.db2.gz DYUWQMRINTZWBY-ZWKOTPCHSA-N 2 2 342.418 2.190 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899746 471010120 /nfs/dbraw/zinc/01/01/20/471010120.db2.gz UVJWJLDFFVQUPP-IEBWSBKVSA-N 2 2 345.487 2.118 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899746 471010125 /nfs/dbraw/zinc/01/01/25/471010125.db2.gz UVJWJLDFFVQUPP-IEBWSBKVSA-N 2 2 345.487 2.118 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000647903293 471013054 /nfs/dbraw/zinc/01/30/54/471013054.db2.gz IVRPSGZVMSOFNF-RYRKJORJSA-N 2 2 343.471 2.265 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000647903293 471013059 /nfs/dbraw/zinc/01/30/59/471013059.db2.gz IVRPSGZVMSOFNF-RYRKJORJSA-N 2 2 343.471 2.265 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3C3CCCC3)CC2)CC1 ZINC000651207323 471089845 /nfs/dbraw/zinc/08/98/45/471089845.db2.gz NXCYNFSNQAZGBM-MOPGFXCFSA-N 2 2 333.520 2.488 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000648161670 471105728 /nfs/dbraw/zinc/10/57/28/471105728.db2.gz USKLWDFMOYNXQG-GOEBONIOSA-N 2 2 325.403 2.344 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000648161670 471105733 /nfs/dbraw/zinc/10/57/33/471105733.db2.gz USKLWDFMOYNXQG-GOEBONIOSA-N 2 2 325.403 2.344 10 0 EEAELP COc1nccnc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438515 471206617 /nfs/dbraw/zinc/20/66/17/471206617.db2.gz WIWCMDHQVCUYEZ-KRWDZBQOSA-N 2 2 326.444 2.487 10 0 EEAELP COc1nccnc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000648438515 471206620 /nfs/dbraw/zinc/20/66/20/471206620.db2.gz WIWCMDHQVCUYEZ-KRWDZBQOSA-N 2 2 326.444 2.487 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000652417945 471288393 /nfs/dbraw/zinc/28/83/93/471288393.db2.gz MFJFYRGSEZGHHC-CYBMUJFWSA-N 2 2 347.850 2.419 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000652417945 471288395 /nfs/dbraw/zinc/28/83/95/471288395.db2.gz MFJFYRGSEZGHHC-CYBMUJFWSA-N 2 2 347.850 2.419 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000669024370 471353726 /nfs/dbraw/zinc/35/37/26/471353726.db2.gz BYGSYXQNHHIQTA-OUCADQQQSA-N 2 2 347.850 2.175 10 0 EEAELP Cc1cc(Br)cn2c(CNCC34CC(C3)C[NH2+]4)c[nH+]c12 ZINC000663497060 471400885 /nfs/dbraw/zinc/40/08/85/471400885.db2.gz AQFSQLHEIVGDKZ-UHFFFAOYSA-N 2 2 335.249 2.247 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663497061 471401151 /nfs/dbraw/zinc/40/11/51/471401151.db2.gz AQVPCPIQTLMMDU-UHFFFAOYSA-N 3 2 328.504 2.060 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1CNc1nc(C)[nH+]c(C)c1Br ZINC000663535439 471415966 /nfs/dbraw/zinc/41/59/66/471415966.db2.gz ZQLMKXFKCYZMTO-GFCCVEGCSA-N 2 2 343.269 2.379 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1CNc1nc(C)[nH+]c(C)c1Br ZINC000663535439 471415969 /nfs/dbraw/zinc/41/59/69/471415969.db2.gz ZQLMKXFKCYZMTO-GFCCVEGCSA-N 2 2 343.269 2.379 10 0 EEAELP OCCC1([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000660682052 471443526 /nfs/dbraw/zinc/44/35/26/471443526.db2.gz FHAGDUBTZLTCIP-UHFFFAOYSA-N 2 2 331.504 2.484 10 0 EEAELP C[C@@H]1c2ccccc2CN1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000660711455 471456446 /nfs/dbraw/zinc/45/64/46/471456446.db2.gz DUYPBABJPMIPQC-WBVHZDCISA-N 2 2 342.487 2.441 10 0 EEAELP C[C@@H]1c2ccccc2CN1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000660711455 471456452 /nfs/dbraw/zinc/45/64/52/471456452.db2.gz DUYPBABJPMIPQC-WBVHZDCISA-N 2 2 342.487 2.441 10 0 EEAELP CCN(C(=O)NCc1cn2cc(C)ccc2[nH+]1)[C@@H]1CC[N@H+](CC)C1 ZINC000663762800 471507304 /nfs/dbraw/zinc/50/73/04/471507304.db2.gz LSYWRFLKUDDZGQ-MRXNPFEDSA-N 2 2 329.448 2.268 10 0 EEAELP CCN(C(=O)NCc1cn2cc(C)ccc2[nH+]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663762800 471507308 /nfs/dbraw/zinc/50/73/08/471507308.db2.gz LSYWRFLKUDDZGQ-MRXNPFEDSA-N 2 2 329.448 2.268 10 0 EEAELP Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663797232 471522916 /nfs/dbraw/zinc/52/29/16/471522916.db2.gz NBVDDKJBVYSHQX-SFHVURJKSA-N 2 2 332.492 2.165 10 0 EEAELP Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663797232 471522922 /nfs/dbraw/zinc/52/29/22/471522922.db2.gz NBVDDKJBVYSHQX-SFHVURJKSA-N 2 2 332.492 2.165 10 0 EEAELP Cn1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1=O ZINC000669694826 471593697 /nfs/dbraw/zinc/59/36/97/471593697.db2.gz XBPAROBHJIZYRB-MRXNPFEDSA-N 2 2 326.444 2.298 10 0 EEAELP Cn1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1=O ZINC000669694826 471593702 /nfs/dbraw/zinc/59/37/02/471593702.db2.gz XBPAROBHJIZYRB-MRXNPFEDSA-N 2 2 326.444 2.298 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NCC[N@@H+]3CCCOCC3)n2)C1 ZINC000656175292 471619859 /nfs/dbraw/zinc/61/98/59/471619859.db2.gz VEVRUEQYKBVHJP-UHFFFAOYSA-N 2 2 333.480 2.237 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NCC[N@H+]3CCCOCC3)n2)C1 ZINC000656175292 471619864 /nfs/dbraw/zinc/61/98/64/471619864.db2.gz VEVRUEQYKBVHJP-UHFFFAOYSA-N 2 2 333.480 2.237 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](CO)Cc1ccccc1 ZINC000661094680 471622794 /nfs/dbraw/zinc/62/27/94/471622794.db2.gz GZWZBXGTWQZJOR-LEWJYISDSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@H](CO)Cc1ccccc1 ZINC000661094680 471622797 /nfs/dbraw/zinc/62/27/97/471622797.db2.gz GZWZBXGTWQZJOR-LEWJYISDSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661094680 471622803 /nfs/dbraw/zinc/62/28/03/471622803.db2.gz GZWZBXGTWQZJOR-LEWJYISDSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661094680 471622807 /nfs/dbraw/zinc/62/28/07/471622807.db2.gz GZWZBXGTWQZJOR-LEWJYISDSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH2+]C[C@@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000659640396 471708230 /nfs/dbraw/zinc/70/82/30/471708230.db2.gz UOHLPPMFXFHBBY-KGLIPLIRSA-N 2 2 338.883 2.336 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1[nH+]ccn1C ZINC000667256444 471711049 /nfs/dbraw/zinc/71/10/49/471711049.db2.gz LMVZEWQHOYHBEZ-HNNXBMFYSA-N 2 2 333.480 2.389 10 0 EEAELP c1nc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc(NC2CC2)[nH+]1 ZINC000664540222 471787925 /nfs/dbraw/zinc/78/79/25/471787925.db2.gz VWGFUYXPBXOQFH-HUUCEWRRSA-N 2 2 329.448 2.106 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667569688 471826681 /nfs/dbraw/zinc/82/66/81/471826681.db2.gz QJNJKPXZPRAXSN-QKPAOTATSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667569688 471826683 /nfs/dbraw/zinc/82/66/83/471826683.db2.gz QJNJKPXZPRAXSN-QKPAOTATSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667569688 471826686 /nfs/dbraw/zinc/82/66/86/471826686.db2.gz QJNJKPXZPRAXSN-QKPAOTATSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667569688 471826690 /nfs/dbraw/zinc/82/66/90/471826690.db2.gz QJNJKPXZPRAXSN-QKPAOTATSA-N 2 2 330.476 2.378 10 0 EEAELP Oc1cccc(C[NH+]2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000667573922 471828796 /nfs/dbraw/zinc/82/87/96/471828796.db2.gz UWWXWLOYNHXEMI-UHFFFAOYSA-N 2 2 349.438 2.291 10 0 EEAELP c1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000667813970 471917357 /nfs/dbraw/zinc/91/73/57/471917357.db2.gz FDARJGBWCQDIJJ-ICSRJNTNSA-N 2 2 346.471 2.055 10 0 EEAELP Cc1cn2ccc(NC(=O)NC[C@@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2[nH+]1 ZINC000668167984 472036693 /nfs/dbraw/zinc/03/66/93/472036693.db2.gz JUEZBILAKGRHNC-KFWWJZLASA-N 2 2 345.447 2.262 10 0 EEAELP Cc1cn2ccc(NC(=O)NC[C@@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2[nH+]1 ZINC000668167984 472036698 /nfs/dbraw/zinc/03/66/98/472036698.db2.gz JUEZBILAKGRHNC-KFWWJZLASA-N 2 2 345.447 2.262 10 0 EEAELP CCN1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662282699 472055836 /nfs/dbraw/zinc/05/58/36/472055836.db2.gz PXELYHBAKMUOFI-RRQGHBQHSA-N 2 2 341.858 2.192 10 0 EEAELP Brc1cc2c(s1)CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662311290 472065344 /nfs/dbraw/zinc/06/53/44/472065344.db2.gz RNYZNOFOTFXRAF-LLVKDONJSA-N 2 2 343.290 2.390 10 0 EEAELP Brc1cc2c(s1)CC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662311290 472065348 /nfs/dbraw/zinc/06/53/48/472065348.db2.gz RNYZNOFOTFXRAF-LLVKDONJSA-N 2 2 343.290 2.390 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320311 472068493 /nfs/dbraw/zinc/06/84/93/472068493.db2.gz STHZGWIVAQDLLF-FUHWJXTLSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320311 472068499 /nfs/dbraw/zinc/06/84/99/472068499.db2.gz STHZGWIVAQDLLF-FUHWJXTLSA-N 2 2 345.487 2.007 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)c1cc(C(C)(C)[NH3+])no1)c1ccccc1 ZINC000662670989 472196880 /nfs/dbraw/zinc/19/68/80/472196880.db2.gz PVXDVMUBGFWOMW-OAHLLOKOSA-N 2 2 339.399 2.121 10 0 EEAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668741183 472249952 /nfs/dbraw/zinc/24/99/52/472249952.db2.gz OSXKPRMCONKOJR-LJQANCHMSA-N 2 2 340.471 2.416 10 0 EEAELP Cc1cccc(-c2n[nH]cc2C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668741183 472249957 /nfs/dbraw/zinc/24/99/57/472249957.db2.gz OSXKPRMCONKOJR-LJQANCHMSA-N 2 2 340.471 2.416 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)C1([NH2+]C2CC2)CCC1 ZINC000662811491 472263618 /nfs/dbraw/zinc/26/36/18/472263618.db2.gz YPOYSCDSTHDMCH-UHFFFAOYSA-N 2 2 347.890 2.489 10 0 EEAELP C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1Br)c1[nH+]ccn1C ZINC000662934374 472302851 /nfs/dbraw/zinc/30/28/51/472302851.db2.gz NSFUXTIIBBHLJJ-CABZTGNLSA-N 2 2 337.221 2.060 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000666166305 472331793 /nfs/dbraw/zinc/33/17/93/472331793.db2.gz NYXZDITXLURVHH-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)c(F)c(F)c1 ZINC000666166305 472331798 /nfs/dbraw/zinc/33/17/98/472331798.db2.gz NYXZDITXLURVHH-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629542322 485730380 /nfs/dbraw/zinc/73/03/80/485730380.db2.gz DOBUMIXRSPNAIG-LESCRADOSA-N 2 2 329.448 2.148 10 0 EEAELP Cc1ccc(C[NH+](CCO)C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000679952033 485853963 /nfs/dbraw/zinc/85/39/63/485853963.db2.gz FEFPULUUZGSQJG-OAQYLSRUSA-N 2 2 342.483 2.282 10 0 EEAELP Cc1ccc(C[NH+](CCO)C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000679952033 485853970 /nfs/dbraw/zinc/85/39/70/485853970.db2.gz FEFPULUUZGSQJG-OAQYLSRUSA-N 2 2 342.483 2.282 10 0 EEAELP Cc1ccc(C[N@@H+](CCO)C[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000679952033 485853976 /nfs/dbraw/zinc/85/39/76/485853976.db2.gz FEFPULUUZGSQJG-OAQYLSRUSA-N 2 2 342.483 2.282 10 0 EEAELP Cc1ccc(C[N@H+](CCO)C[C@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000679952033 485853980 /nfs/dbraw/zinc/85/39/80/485853980.db2.gz FEFPULUUZGSQJG-OAQYLSRUSA-N 2 2 342.483 2.282 10 0 EEAELP Cc1ncc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000679993381 485865689 /nfs/dbraw/zinc/86/56/89/485865689.db2.gz DPQGVUGHMHTCGQ-DGCLKSJQSA-N 2 2 333.461 2.027 10 0 EEAELP Cc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)c(N2CCCC2)[nH+]1 ZINC000680596590 486015128 /nfs/dbraw/zinc/01/51/28/486015128.db2.gz ADTGXQYFMMOTCG-UHFFFAOYSA-N 2 2 339.443 2.381 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000676154674 486155392 /nfs/dbraw/zinc/15/53/92/486155392.db2.gz QFHAOHRHBNVCLZ-AJTLQJAISA-N 2 2 334.508 2.033 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000676154674 486155398 /nfs/dbraw/zinc/15/53/98/486155398.db2.gz QFHAOHRHBNVCLZ-AJTLQJAISA-N 2 2 334.508 2.033 10 0 EEAELP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCn2cc(C)[nH+]c2C1)c1ccco1 ZINC000673142292 486280932 /nfs/dbraw/zinc/28/09/32/486280932.db2.gz JWCBUKKWLWLRIL-ZFWWWQNUSA-N 2 2 345.447 2.439 10 0 EEAELP Cc1nc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000678052717 486559099 /nfs/dbraw/zinc/55/90/99/486559099.db2.gz KDZCUSQYDKRLNB-YIONKMFJSA-N 2 2 349.504 2.226 10 0 EEAELP Cc1nc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000678052717 486559102 /nfs/dbraw/zinc/55/91/02/486559102.db2.gz KDZCUSQYDKRLNB-YIONKMFJSA-N 2 2 349.504 2.226 10 0 EEAELP C[C@H]1C[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000120754534 490617309 /nfs/dbraw/zinc/61/73/09/490617309.db2.gz ZLHMACCLZLCZIJ-AAEUAGOBSA-N 2 2 347.850 2.412 10 0 EEAELP C[C@H]1C[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[N@H+]1C1CC1 ZINC000120754534 490617321 /nfs/dbraw/zinc/61/73/21/490617321.db2.gz ZLHMACCLZLCZIJ-AAEUAGOBSA-N 2 2 347.850 2.412 10 0 EEAELP Cc1cccc2nc(C[N@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc(=O)n12 ZINC000129390619 534786259 /nfs/dbraw/zinc/78/62/59/534786259.db2.gz RWLKNIMRUYFNMZ-RHSMWYFYSA-N 2 2 337.427 2.283 10 0 EEAELP Cc1cccc2nc(C[N@@H+]3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)cc(=O)n12 ZINC000129390619 534786267 /nfs/dbraw/zinc/78/62/67/534786267.db2.gz RWLKNIMRUYFNMZ-RHSMWYFYSA-N 2 2 337.427 2.283 10 0 EEAELP COc1ccc(C[NH2+]CCc2cn(C)c[nH+]2)c(Br)c1O ZINC000459671206 536892270 /nfs/dbraw/zinc/89/22/70/536892270.db2.gz WBPXQZHLQYOLCR-UHFFFAOYSA-N 2 2 340.221 2.229 10 0 EEAELP COC(=O)c1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)c[nH]1 ZINC000895110819 683939877 /nfs/dbraw/zinc/93/98/77/683939877.db2.gz YIFVHFVSZSEFGM-SHTZXODSSA-N 2 2 328.416 2.473 10 0 EEAELP COC(=O)c1[nH]c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1C ZINC000895556581 684641274 /nfs/dbraw/zinc/64/12/74/684641274.db2.gz LADLKIPPTULVKV-AWEZNQCLSA-N 2 2 328.416 2.215 10 0 EEAELP COC(=O)c1[nH]c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1C ZINC000895556581 684641275 /nfs/dbraw/zinc/64/12/75/684641275.db2.gz LADLKIPPTULVKV-AWEZNQCLSA-N 2 2 328.416 2.215 10 0 EEAELP O=C1CC[C@@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CCN1 ZINC000895648624 684670734 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332.513 2.422 10 0 EEAELP CCc1cccc(C[NH+]2CC([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001485539137 1191828064 /nfs/dbraw/zinc/82/80/64/1191828064.db2.gz LPRQHKYSTHIADR-OAHLLOKOSA-N 2 2 326.444 2.082 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2C1 ZINC001485658957 1191879290 /nfs/dbraw/zinc/87/92/90/1191879290.db2.gz WCHLCKFWAWDMTP-RCCFBDPRSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2C1 ZINC001485658957 1191879292 /nfs/dbraw/zinc/87/92/92/1191879292.db2.gz WCHLCKFWAWDMTP-RCCFBDPRSA-N 2 2 344.503 2.370 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H](C[NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001670481247 1176825908 /nfs/dbraw/zinc/82/59/08/1176825908.db2.gz UFVDBEMKLLATGG-OAHLLOKOSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H](C[NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001670481247 1176825916 /nfs/dbraw/zinc/82/59/16/1176825916.db2.gz UFVDBEMKLLATGG-OAHLLOKOSA-N 2 2 347.850 2.075 10 0 EEAELP 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EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001691440902 1178624517 /nfs/dbraw/zinc/62/45/17/1178624517.db2.gz HFMVAAYMENMIPR-MRXNPFEDSA-N 2 2 348.491 2.222 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]Cc2ncc(C3CC3)o2)C1 ZINC001691440902 1178624522 /nfs/dbraw/zinc/62/45/22/1178624522.db2.gz HFMVAAYMENMIPR-MRXNPFEDSA-N 2 2 348.491 2.222 10 0 EEAELP Cc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001267395839 1178966360 /nfs/dbraw/zinc/96/63/60/1178966360.db2.gz NHFWJGCDXOPSMM-QGZVFWFLSA-N 2 2 326.444 2.002 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001267461155 1179052271 /nfs/dbraw/zinc/05/22/71/1179052271.db2.gz GATWVJJHQFYXCU-MRXNPFEDSA-N 2 2 340.471 2.114 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC001480951497 1179120194 /nfs/dbraw/zinc/12/01/94/1179120194.db2.gz CROPWHVRSBPSFU-UHFFFAOYSA-N 2 2 344.459 2.230 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1coc(-c2ccccc2)n1 ZINC001480951497 1179120204 /nfs/dbraw/zinc/12/02/04/1179120204.db2.gz CROPWHVRSBPSFU-UHFFFAOYSA-N 2 2 344.459 2.230 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001480951497 1179120218 /nfs/dbraw/zinc/12/02/18/1179120218.db2.gz CROPWHVRSBPSFU-UHFFFAOYSA-N 2 2 344.459 2.230 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001480951497 1179120227 /nfs/dbraw/zinc/12/02/27/1179120227.db2.gz CROPWHVRSBPSFU-UHFFFAOYSA-N 2 2 344.459 2.230 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(F)cc1Cl ZINC001480951686 1179123016 /nfs/dbraw/zinc/12/30/16/1179123016.db2.gz JYPZUGPXDJDZDI-UHFFFAOYSA-N 2 2 329.847 2.367 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(F)cc1Cl ZINC001480951686 1179123020 /nfs/dbraw/zinc/12/30/20/1179123020.db2.gz JYPZUGPXDJDZDI-UHFFFAOYSA-N 2 2 329.847 2.367 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC001480951686 1179123028 /nfs/dbraw/zinc/12/30/28/1179123028.db2.gz JYPZUGPXDJDZDI-UHFFFAOYSA-N 2 2 329.847 2.367 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC001480951686 1179123031 /nfs/dbraw/zinc/12/30/31/1179123031.db2.gz JYPZUGPXDJDZDI-UHFFFAOYSA-N 2 2 329.847 2.367 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1F ZINC001481070100 1179678511 /nfs/dbraw/zinc/67/85/11/1179678511.db2.gz MNBFYBURQAMMLP-KRWDZBQOSA-N 2 2 344.434 2.420 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1F ZINC001481070100 1179678515 /nfs/dbraw/zinc/67/85/15/1179678515.db2.gz MNBFYBURQAMMLP-KRWDZBQOSA-N 2 2 344.434 2.420 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccns3)C2)c[nH+]1 ZINC001481098158 1179735545 /nfs/dbraw/zinc/73/55/45/1179735545.db2.gz SAKFLEHHRYLJBD-CQSZACIVSA-N 2 2 347.488 2.021 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+](Cc3ccns3)C2)c[nH+]1 ZINC001481098158 1179735549 /nfs/dbraw/zinc/73/55/49/1179735549.db2.gz SAKFLEHHRYLJBD-CQSZACIVSA-N 2 2 347.488 2.021 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001481126246 1179833899 /nfs/dbraw/zinc/83/38/99/1179833899.db2.gz NJUPZVQGUUGUCA-VQIMIIECSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001481126246 1179833909 /nfs/dbraw/zinc/83/39/09/1179833909.db2.gz NJUPZVQGUUGUCA-VQIMIIECSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001267615716 1179851775 /nfs/dbraw/zinc/85/17/75/1179851775.db2.gz RXKBRLICCKKZGA-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCCCCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001267615716 1179851788 /nfs/dbraw/zinc/85/17/88/1179851788.db2.gz RXKBRLICCKKZGA-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1coc(C)n1 ZINC001481145326 1179915525 /nfs/dbraw/zinc/91/55/25/1179915525.db2.gz DYHMCEGPUUENPV-HOCLYGCPSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1coc(C)n1 ZINC001481145326 1179915528 /nfs/dbraw/zinc/91/55/28/1179915528.db2.gz DYHMCEGPUUENPV-HOCLYGCPSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1coc(C)n1 ZINC001481145326 1179915530 /nfs/dbraw/zinc/91/55/30/1179915530.db2.gz DYHMCEGPUUENPV-HOCLYGCPSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1coc(C)n1 ZINC001481145326 1179915534 /nfs/dbraw/zinc/91/55/34/1179915534.db2.gz DYHMCEGPUUENPV-HOCLYGCPSA-N 2 2 336.480 2.042 10 0 EEAELP CC[C@@H](C)C[N@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001481169427 1179976328 /nfs/dbraw/zinc/97/63/28/1179976328.db2.gz ODXFOKOAJOVEFC-RDTXWAMCSA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@@H](C)C[N@@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001481169427 1179976332 /nfs/dbraw/zinc/97/63/32/1179976332.db2.gz ODXFOKOAJOVEFC-RDTXWAMCSA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@@H](C)C[NH+](CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001481169427 1179976336 /nfs/dbraw/zinc/97/63/36/1179976336.db2.gz ODXFOKOAJOVEFC-RDTXWAMCSA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@@H](C)C[NH+](CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001481169427 1179976339 /nfs/dbraw/zinc/97/63/39/1179976339.db2.gz ODXFOKOAJOVEFC-RDTXWAMCSA-N 2 2 347.507 2.417 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267764640 1180448363 /nfs/dbraw/zinc/44/83/63/1180448363.db2.gz WYDHKMBIJHBQHA-QGZVFWFLSA-N 2 2 344.459 2.216 10 0 EEAELP COCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267764640 1180448367 /nfs/dbraw/zinc/44/83/67/1180448367.db2.gz WYDHKMBIJHBQHA-QGZVFWFLSA-N 2 2 344.459 2.216 10 0 EEAELP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001481248473 1180459445 /nfs/dbraw/zinc/45/94/45/1180459445.db2.gz PVZZDVLOTHVHNA-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001481249509 1180462641 /nfs/dbraw/zinc/46/26/41/1180462641.db2.gz HFMKZLYUEVIFQX-SFHVURJKSA-N 2 2 340.471 2.045 10 0 EEAELP CN(CC[NH2+]Cc1ccccn1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001481262584 1180505762 /nfs/dbraw/zinc/50/57/62/1180505762.db2.gz DLQOTBQXSRKTND-UHFFFAOYSA-N 2 2 335.411 2.129 10 0 EEAELP C[C@@](C[NH2+]CCC(F)(F)F)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001267857313 1180641498 /nfs/dbraw/zinc/64/14/98/1180641498.db2.gz XYLIZAAXQITIQL-JMSVASOKSA-N 2 2 344.381 2.340 10 0 EEAELP C[C@@](C[NH2+]CCC(F)(F)F)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC1 ZINC001267857313 1180641502 /nfs/dbraw/zinc/64/15/02/1180641502.db2.gz XYLIZAAXQITIQL-JMSVASOKSA-N 2 2 344.381 2.340 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)oc1C ZINC001481292438 1180921780 /nfs/dbraw/zinc/92/17/80/1180921780.db2.gz KTOPLYGRHSILOD-UHFFFAOYSA-N 2 2 344.459 2.215 10 0 EEAELP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC001481447763 1181373949 /nfs/dbraw/zinc/37/39/49/1181373949.db2.gz TUIYFGAHIOCNRV-LBPRGKRZSA-N 2 2 344.912 2.076 10 0 EEAELP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC001481447763 1181373954 /nfs/dbraw/zinc/37/39/54/1181373954.db2.gz TUIYFGAHIOCNRV-LBPRGKRZSA-N 2 2 344.912 2.076 10 0 EEAELP C[N@H+](CC(=O)NC1C[NH+](CC2CC(C)(C)C2)C1)Cc1ccccc1 ZINC001481606781 1181861472 /nfs/dbraw/zinc/86/14/72/1181861472.db2.gz YFVLZIMVELLUDJ-UHFFFAOYSA-N 2 2 329.488 2.355 10 0 EEAELP C[N@@H+](CC(=O)NC1C[NH+](CC2CC(C)(C)C2)C1)Cc1ccccc1 ZINC001481606781 1181861474 /nfs/dbraw/zinc/86/14/74/1181861474.db2.gz YFVLZIMVELLUDJ-UHFFFAOYSA-N 2 2 329.488 2.355 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001481673267 1182187265 /nfs/dbraw/zinc/18/72/65/1182187265.db2.gz BCAKHBBKUNLFQQ-KQFSBCPLSA-N 2 2 328.460 2.087 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481732987 1182418933 /nfs/dbraw/zinc/41/89/33/1182418933.db2.gz YMRQGHQLYDGRBL-HNNXBMFYSA-N 2 2 336.480 2.319 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481732987 1182418937 /nfs/dbraw/zinc/41/89/37/1182418937.db2.gz YMRQGHQLYDGRBL-HNNXBMFYSA-N 2 2 336.480 2.319 10 0 EEAELP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001481740184 1182462730 /nfs/dbraw/zinc/46/27/30/1182462730.db2.gz MDGAZLRGTBXMTH-HNNXBMFYSA-N 2 2 341.858 2.464 10 0 EEAELP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001481740184 1182462736 /nfs/dbraw/zinc/46/27/36/1182462736.db2.gz MDGAZLRGTBXMTH-HNNXBMFYSA-N 2 2 341.858 2.464 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001481753041 1182552512 /nfs/dbraw/zinc/55/25/12/1182552512.db2.gz NNGSRIONKDXIJH-OAHLLOKOSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001481753041 1182552516 /nfs/dbraw/zinc/55/25/16/1182552516.db2.gz NNGSRIONKDXIJH-OAHLLOKOSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001481753041 1182552521 /nfs/dbraw/zinc/55/25/21/1182552521.db2.gz NNGSRIONKDXIJH-OAHLLOKOSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001481753041 1182552525 /nfs/dbraw/zinc/55/25/25/1182552525.db2.gz NNGSRIONKDXIJH-OAHLLOKOSA-N 2 2 339.430 2.338 10 0 EEAELP O=C(NC1(C[NH2+]C[C@@H]2CCOC2)CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001481899773 1182912633 /nfs/dbraw/zinc/91/26/33/1182912633.db2.gz FVJXIPPAPVKPBH-AWEZNQCLSA-N 2 2 342.443 2.232 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001481998680 1183106437 /nfs/dbraw/zinc/10/64/37/1183106437.db2.gz GEINFXCLAHDYBC-UHFFFAOYSA-N 2 2 344.503 2.390 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C/C[NH2+]CC1CCC(F)(F)CC1 ZINC001268549346 1183232340 /nfs/dbraw/zinc/23/23/40/1183232340.db2.gz XGQQXWRPTSXAGJ-OWOJBTEDSA-N 2 2 340.418 2.430 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C/C[NH2+]CC1CCC(F)(F)CC1 ZINC001268549346 1183232343 /nfs/dbraw/zinc/23/23/43/1183232343.db2.gz XGQQXWRPTSXAGJ-OWOJBTEDSA-N 2 2 340.418 2.430 10 0 EEAELP CC(C)C[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268559841 1183256540 /nfs/dbraw/zinc/25/65/40/1183256540.db2.gz GYGUHVXVMHPQIS-XLYSIVADSA-N 2 2 332.492 2.390 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C\CNC(=O)C23CCC[NH+]2CCC3)o1 ZINC001268563750 1183267936 /nfs/dbraw/zinc/26/79/36/1183267936.db2.gz PFPKTRHUNQGOMZ-ARJAWSKDSA-N 2 2 346.475 2.188 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CCc1cccs1 ZINC001268593130 1183405635 /nfs/dbraw/zinc/40/56/35/1183405635.db2.gz QOKJGMJKDABFDS-INQOVCNISA-N 2 2 344.484 2.090 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCCC2CCOCC2)CCCC1 ZINC001270807243 1185406705 /nfs/dbraw/zinc/40/67/05/1185406705.db2.gz ZAQGQVLBLUNWQM-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP C[C@H](C[NH2+]Cc1ccccc1OC1CC1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482346545 1185468561 /nfs/dbraw/zinc/46/85/61/1185468561.db2.gz DJMRJYNHCICUIN-CQSZACIVSA-N 2 2 342.443 2.130 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CCCCC2)on1 ZINC001482413730 1185646194 /nfs/dbraw/zinc/64/61/94/1185646194.db2.gz XDFNVGJNNCQMJZ-QGZVFWFLSA-N 2 2 345.447 2.034 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001271552665 1186305957 /nfs/dbraw/zinc/30/59/57/1186305957.db2.gz SYFXYYFGHBSYQK-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP CC(C)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cccnc1 ZINC001482556262 1186728513 /nfs/dbraw/zinc/72/85/13/1186728513.db2.gz HAEWJQCBLVLTRG-DOTOQJQBSA-N 2 2 329.448 2.160 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCCn2cc[nH+]c2)o1 ZINC001482699632 1187677385 /nfs/dbraw/zinc/67/73/85/1187677385.db2.gz URZIZXYWDGOQTG-DOTOQJQBSA-N 2 2 345.447 2.034 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483011588 1187996427 /nfs/dbraw/zinc/99/64/27/1187996427.db2.gz QXZZAILLJQAKJF-WAYWQWQTSA-N 2 2 334.464 2.010 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001483024837 1188014664 /nfs/dbraw/zinc/01/46/64/1188014664.db2.gz SHBIFUNLIRWGII-AATRIKPKSA-N 2 2 331.460 2.475 10 0 EEAELP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001483158355 1188971295 /nfs/dbraw/zinc/97/12/95/1188971295.db2.gz KULUBJWIMTYRJZ-WBVHZDCISA-N 2 2 339.524 2.160 10 0 EEAELP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001483158355 1188971296 /nfs/dbraw/zinc/97/12/96/1188971296.db2.gz KULUBJWIMTYRJZ-WBVHZDCISA-N 2 2 339.524 2.160 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483167890 1189005378 /nfs/dbraw/zinc/00/53/78/1189005378.db2.gz DYHPFFDFURQXGB-KCPJHIHWSA-N 2 2 348.397 2.096 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]Cc2ccnn2C)c(C)[nH+]1 ZINC001272920834 1193605450 /nfs/dbraw/zinc/60/54/50/1193605450.db2.gz ODZSHRFZGBYGFZ-ZDUSSCGKSA-N 2 2 329.448 2.039 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001409449714 1189697600 /nfs/dbraw/zinc/69/76/00/1189697600.db2.gz DOMINGICMQCCHM-CABCVRRESA-N 2 2 329.448 2.085 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483339410 1190371304 /nfs/dbraw/zinc/37/13/04/1190371304.db2.gz GNLDOHGKDDIIAG-AWEZNQCLSA-N 2 2 346.500 2.460 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccsc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483339410 1190371308 /nfs/dbraw/zinc/37/13/08/1190371308.db2.gz GNLDOHGKDDIIAG-AWEZNQCLSA-N 2 2 346.500 2.460 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001483669563 1190728957 /nfs/dbraw/zinc/72/89/57/1190728957.db2.gz YWWUVSUHNGOZOR-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001483669563 1190728961 /nfs/dbraw/zinc/72/89/61/1190728961.db2.gz YWWUVSUHNGOZOR-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP C[C@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+](CC2CCC2)C1 ZINC001484044816 1191171100 /nfs/dbraw/zinc/17/11/00/1191171100.db2.gz MFUTZGMPCXLUFJ-IBGZPJMESA-N 2 2 330.476 2.143 10 0 EEAELP C[C@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+](CC2CCC2)C1 ZINC001484044816 1191171101 /nfs/dbraw/zinc/17/11/01/1191171101.db2.gz MFUTZGMPCXLUFJ-IBGZPJMESA-N 2 2 330.476 2.143 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCc1cccc(F)c1 ZINC001484906057 1191570099 /nfs/dbraw/zinc/57/00/99/1191570099.db2.gz VWMDWRLEGFWTKF-YOEHRIQHSA-N 2 2 344.434 2.161 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]CC=C(Cl)Cl)C1 ZINC001485095274 1191653751 /nfs/dbraw/zinc/65/37/51/1191653751.db2.gz ROZIOPMXUSYNHB-UHFFFAOYSA-N 2 2 331.247 2.146 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]CC=C(Cl)Cl)C1 ZINC001485095274 1191653753 /nfs/dbraw/zinc/65/37/53/1191653753.db2.gz ROZIOPMXUSYNHB-UHFFFAOYSA-N 2 2 331.247 2.146 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485202475 1191684349 /nfs/dbraw/zinc/68/43/49/1191684349.db2.gz TWHJDRLLQXZYRQ-HOTGVXAUSA-N 2 2 328.460 2.376 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1cncs1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001485263507 1191710088 /nfs/dbraw/zinc/71/00/88/1191710088.db2.gz HKKAUWKVIAIZLS-UHFFFAOYSA-N 2 2 349.504 2.418 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@H+](Cc2ccc(CF)cc2)CC1 ZINC001486517490 1194023161 /nfs/dbraw/zinc/02/31/61/1194023161.db2.gz FUNGWHRTAXLJIV-UHFFFAOYSA-N 2 2 342.418 2.370 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@@H+](Cc2ccc(CF)cc2)CC1 ZINC001486517490 1194023166 /nfs/dbraw/zinc/02/31/66/1194023166.db2.gz FUNGWHRTAXLJIV-UHFFFAOYSA-N 2 2 342.418 2.370 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001273067718 1194366521 /nfs/dbraw/zinc/36/65/21/1194366521.db2.gz VCTPRAGRAPJPDF-RYUDHWBXSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001273067718 1194366523 /nfs/dbraw/zinc/36/65/23/1194366523.db2.gz VCTPRAGRAPJPDF-RYUDHWBXSA-N 2 2 335.477 2.038 10 0 EEAELP COC(=O)c1cc(C[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C ZINC000872149439 1198057778 /nfs/dbraw/zinc/05/77/78/1198057778.db2.gz NXPGWQYOJDMMHF-JSGCOSHPSA-N 2 2 330.350 2.351 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C ZINC000872149439 1198057787 /nfs/dbraw/zinc/05/77/87/1198057787.db2.gz NXPGWQYOJDMMHF-JSGCOSHPSA-N 2 2 330.350 2.351 10 0 EEAELP Cn1ncc2c1nc[nH+]c2NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000866015183 1198454805 /nfs/dbraw/zinc/45/48/05/1198454805.db2.gz CJZZTFVEDYMLSM-UHFFFAOYSA-N 2 2 336.443 2.439 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001410965717 1198645853 /nfs/dbraw/zinc/64/58/53/1198645853.db2.gz VGNFXGXTRQDJQV-ZBFHGGJFSA-N 2 2 346.500 2.489 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC(C)C)[C@H](C(F)(F)F)C1 ZINC001411032017 1198710725 /nfs/dbraw/zinc/71/07/25/1198710725.db2.gz YNXJOZGTNOTLDB-CHWSQXEVSA-N 2 2 346.397 2.143 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000810707944 1199688738 /nfs/dbraw/zinc/68/87/38/1199688738.db2.gz GUGDSGQIVFSLED-QAPCUYQASA-N 2 2 335.423 2.274 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000810707944 1199688742 /nfs/dbraw/zinc/68/87/42/1199688742.db2.gz GUGDSGQIVFSLED-QAPCUYQASA-N 2 2 335.423 2.274 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]Cc3ncccc3C)ccn12 ZINC001274025757 1204331973 /nfs/dbraw/zinc/33/19/73/1204331973.db2.gz MODCTJWNXIQISW-ARJAWSKDSA-N 2 2 349.438 2.422 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1CCCCCF ZINC001274634272 1205107016 /nfs/dbraw/zinc/10/70/16/1205107016.db2.gz OPWMVHBCJMBBFW-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1CCCCCF ZINC001274634272 1205107017 /nfs/dbraw/zinc/10/70/17/1205107017.db2.gz OPWMVHBCJMBBFW-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001275209145 1205282241 /nfs/dbraw/zinc/28/22/41/1205282241.db2.gz PXXAYFDGRIDGKV-VSLUYMRVSA-N 2 2 338.455 2.253 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[C@@H]([NH2+]CCCO)C(C)C)ccn12 ZINC001276122216 1205785066 /nfs/dbraw/zinc/78/50/66/1205785066.db2.gz ARKXYSOGGLODOF-QGZVFWFLSA-N 2 2 346.475 2.101 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)[nH+]c12 ZINC001412617414 1205796484 /nfs/dbraw/zinc/79/64/84/1205796484.db2.gz JBLURIFUPPJOJU-MRXNPFEDSA-N 2 2 328.460 2.422 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@@H]3CCC[N@H+](C(C)C)C3)[nH+]c12 ZINC001412617414 1205796485 /nfs/dbraw/zinc/79/64/85/1205796485.db2.gz JBLURIFUPPJOJU-MRXNPFEDSA-N 2 2 328.460 2.422 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924611692 1206004034 /nfs/dbraw/zinc/00/40/34/1206004034.db2.gz GIQFOZMSTMKASR-OKZBNKHCSA-N 2 2 334.460 2.344 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924611692 1206004035 /nfs/dbraw/zinc/00/40/35/1206004035.db2.gz GIQFOZMSTMKASR-OKZBNKHCSA-N 2 2 334.460 2.344 10 0 EEAELP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000924644130 1206009780 /nfs/dbraw/zinc/00/97/80/1206009780.db2.gz SWDQCWXRUSFJQV-AQNXPRMDSA-N 2 2 334.504 2.325 10 0 EEAELP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000924644130 1206009783 /nfs/dbraw/zinc/00/97/83/1206009783.db2.gz SWDQCWXRUSFJQV-AQNXPRMDSA-N 2 2 334.504 2.325 10 0 EEAELP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924718192 1206023315 /nfs/dbraw/zinc/02/33/15/1206023315.db2.gz MNYGVYSSIFQSER-RTBURBONSA-N 2 2 345.487 2.308 10 0 EEAELP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924718192 1206023317 /nfs/dbraw/zinc/02/33/17/1206023317.db2.gz MNYGVYSSIFQSER-RTBURBONSA-N 2 2 345.487 2.308 10 0 EEAELP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925662782 1206141019 /nfs/dbraw/zinc/14/10/19/1206141019.db2.gz LJJGIMVFGWRPMW-ATZDWAIDSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925662782 1206141022 /nfs/dbraw/zinc/14/10/22/1206141022.db2.gz LJJGIMVFGWRPMW-ATZDWAIDSA-N 2 2 340.471 2.392 10 0 EEAELP CSCCc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000926010045 1206181446 /nfs/dbraw/zinc/18/14/46/1206181446.db2.gz AGGVJPIJZHSCDZ-UHFFFAOYSA-N 2 2 336.505 2.137 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 ZINC000926058743 1206186945 /nfs/dbraw/zinc/18/69/45/1206186945.db2.gz UUZMFTNNOIVSCO-UHFFFAOYSA-N 2 2 343.431 2.250 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928101929 1206344229 /nfs/dbraw/zinc/34/42/29/1206344229.db2.gz FSQWOBHTKOBPSR-KBPBESRZSA-N 2 2 339.530 2.119 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928101929 1206344232 /nfs/dbraw/zinc/34/42/32/1206344232.db2.gz FSQWOBHTKOBPSR-KBPBESRZSA-N 2 2 339.530 2.119 10 0 EEAELP O[C@@H](CC[C@H](O)c1ccccc1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929803275 1206503831 /nfs/dbraw/zinc/50/38/31/1206503831.db2.gz FWIFRQISHZHNFC-OALUTQOASA-N 2 2 329.444 2.395 10 0 EEAELP CCCNC(=O)C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858524 1206588218 /nfs/dbraw/zinc/58/82/18/1206588218.db2.gz MEHIXSAWKGPWJG-CALCHBBNSA-N 2 2 347.503 2.254 10 0 EEAELP CCCNC(=O)C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858524 1206588219 /nfs/dbraw/zinc/58/82/19/1206588219.db2.gz MEHIXSAWKGPWJG-CALCHBBNSA-N 2 2 347.503 2.254 10 0 EEAELP CCCNC(=O)C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858524 1206588220 /nfs/dbraw/zinc/58/82/20/1206588220.db2.gz MEHIXSAWKGPWJG-CALCHBBNSA-N 2 2 347.503 2.254 10 0 EEAELP CCCNC(=O)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858524 1206588222 /nfs/dbraw/zinc/58/82/22/1206588222.db2.gz MEHIXSAWKGPWJG-CALCHBBNSA-N 2 2 347.503 2.254 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C[C@@]2(C)C1 ZINC000931311667 1206623889 /nfs/dbraw/zinc/62/38/89/1206623889.db2.gz RUNOIZKHHMKUIZ-BHIYHBOVSA-N 2 2 329.444 2.285 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H](O)COc3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC000931319883 1206624471 /nfs/dbraw/zinc/62/44/71/1206624471.db2.gz ZZRNRAPSUGATRT-FFZOFVMBSA-N 2 2 343.471 2.181 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+](C[C@H](O)COc3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC000931319883 1206624472 /nfs/dbraw/zinc/62/44/72/1206624472.db2.gz ZZRNRAPSUGATRT-FFZOFVMBSA-N 2 2 343.471 2.181 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+](C[C@H](O)COc3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC000931319883 1206624474 /nfs/dbraw/zinc/62/44/74/1206624474.db2.gz ZZRNRAPSUGATRT-FFZOFVMBSA-N 2 2 343.471 2.181 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H](O)COc3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC000931319883 1206624475 /nfs/dbraw/zinc/62/44/75/1206624475.db2.gz ZZRNRAPSUGATRT-FFZOFVMBSA-N 2 2 343.471 2.181 10 0 EEAELP CCOc1ccc(NC(=O)CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931515007 1207402790 /nfs/dbraw/zinc/40/27/90/1207402790.db2.gz KTQYWTRTYLBBLU-UHFFFAOYSA-N 2 2 340.427 2.449 10 0 EEAELP CCOc1ccc(NC(=O)CC[N@H+]2CCc3[nH+]ccc(N)c3C2)cc1 ZINC000931515007 1207402793 /nfs/dbraw/zinc/40/27/93/1207402793.db2.gz KTQYWTRTYLBBLU-UHFFFAOYSA-N 2 2 340.427 2.449 10 0 EEAELP CC[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCOCC1 ZINC000902835614 1238661259 /nfs/dbraw/zinc/66/12/59/1238661259.db2.gz LIZALTDDLMTGFW-MAUKXSAKSA-N 2 2 342.443 2.160 10 0 EEAELP O=S(=O)(CCC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000903469714 1240568094 /nfs/dbraw/zinc/56/80/94/1240568094.db2.gz AZGOSOYDKNBYQX-HNNXBMFYSA-N 2 2 342.892 2.378 10 0 EEAELP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963857 1242753602 /nfs/dbraw/zinc/75/36/02/1242753602.db2.gz HWYOOSOGASKNME-JTNHKYCSSA-N 2 2 345.365 2.500 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001491317663 1258946769 /nfs/dbraw/zinc/94/67/69/1258946769.db2.gz DAWYWZICFJVGCI-HTBDUDNFSA-N 2 2 344.503 2.174 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001491317663 1258946776 /nfs/dbraw/zinc/94/67/76/1258946776.db2.gz DAWYWZICFJVGCI-HTBDUDNFSA-N 2 2 344.503 2.174 10 0 EEAELP Cc1cncc(C[NH2+][C@H](C)CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c1 ZINC001491492077 1259142041 /nfs/dbraw/zinc/14/20/41/1259142041.db2.gz UZCZVBOBRDNURM-AEFFLSMTSA-N 2 2 343.475 2.468 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001273476301 1278575101 /nfs/dbraw/zinc/57/51/01/1278575101.db2.gz JHZUJWXGZWARPV-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001273476301 1278575108 /nfs/dbraw/zinc/57/51/08/1278575108.db2.gz JHZUJWXGZWARPV-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP CCN(CC[NH2+]Cc1ncccc1C)C(=O)c1cccc2[nH+]ccn21 ZINC001273506757 1278722987 /nfs/dbraw/zinc/72/29/87/1278722987.db2.gz PGXKBDKPJGOBKR-UHFFFAOYSA-N 2 2 337.427 2.290 10 0 EEAELP CCCCOCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001489238450 1290487518 /nfs/dbraw/zinc/48/75/18/1290487518.db2.gz MADNRAPYJMUNTN-MRXNPFEDSA-N 2 2 336.480 2.130 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH2+]CC=C(Cl)Cl)C1CC1 ZINC001490725663 1291610778 /nfs/dbraw/zinc/61/07/78/1291610778.db2.gz ZUMGRKJHDGPACK-ZWNOBZJWSA-N 2 2 345.274 2.392 10 0 EEAELP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000852149493 1292015670 /nfs/dbraw/zinc/01/56/70/1292015670.db2.gz RCQASPZPOWSCSS-OAHLLOKOSA-N 2 2 341.496 2.086 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/c1nc2ccccc2s1 ZINC000855415939 1293209658 /nfs/dbraw/zinc/20/96/58/1293209658.db2.gz CFKCQRADIIQFTQ-MDZDMXLPSA-N 2 2 346.500 2.309 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/c1nc2ccccc2s1 ZINC000855415939 1293209661 /nfs/dbraw/zinc/20/96/61/1293209661.db2.gz CFKCQRADIIQFTQ-MDZDMXLPSA-N 2 2 346.500 2.309 10 0 EEAELP CCn1ncc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000857087544 1293717023 /nfs/dbraw/zinc/71/70/23/1293717023.db2.gz UETMAPRDQJPWLX-PKOBYXMFSA-N 2 2 327.476 2.470 10 0 EEAELP CCn1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000857087544 1293717026 /nfs/dbraw/zinc/71/70/26/1293717026.db2.gz UETMAPRDQJPWLX-PKOBYXMFSA-N 2 2 327.476 2.470 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000862452134 1295849578 /nfs/dbraw/zinc/84/95/78/1295849578.db2.gz JLZNFKBDPPCTQQ-WBVHZDCISA-N 2 2 325.497 2.419 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH+]2CCC(C)([NH+](C)C)CC2)cc1 ZINC000931349493 1297152560 /nfs/dbraw/zinc/15/25/60/1297152560.db2.gz WIKROOLJRQYKFB-INIZCTEOSA-N 2 2 336.476 2.241 10 0 EEAELP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCCO1)c1c[nH+]c[nH]1 ZINC001277980083 1305532672 /nfs/dbraw/zinc/53/26/72/1305532672.db2.gz FAEATPDLWBJISE-HOTGVXAUSA-N 2 2 348.491 2.227 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CC[C@H]1CCCCO1)C1CCCC1 ZINC001278274793 1308946733 /nfs/dbraw/zinc/94/67/33/1308946733.db2.gz LJLBVHMCQNUEPF-QZTJIDSGSA-N 2 2 348.491 2.176 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@@H+]1CCCOC ZINC001264055918 1322601273 /nfs/dbraw/zinc/60/12/73/1322601273.db2.gz UCLWVRNXSKSLHC-DOTOQJQBSA-N 2 2 330.432 2.182 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC[N@H+]1CCCOC ZINC001264055918 1322601277 /nfs/dbraw/zinc/60/12/77/1322601277.db2.gz UCLWVRNXSKSLHC-DOTOQJQBSA-N 2 2 330.432 2.182 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CC[NH2+]Cc1cncs1 ZINC001264520907 1322724264 /nfs/dbraw/zinc/72/42/64/1322724264.db2.gz RCBGDLJYPCDBIK-GOEBONIOSA-N 2 2 347.488 2.147 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001264708029 1322789713 /nfs/dbraw/zinc/78/97/13/1322789713.db2.gz GESXXUMWKLJMRA-KUFDGEAHSA-N 2 2 330.476 2.381 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001264708029 1322789716 /nfs/dbraw/zinc/78/97/16/1322789716.db2.gz GESXXUMWKLJMRA-KUFDGEAHSA-N 2 2 330.476 2.381 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001265449138 1323161385 /nfs/dbraw/zinc/16/13/85/1323161385.db2.gz APHLLJGTQAOGQJ-ZBFHGGJFSA-N 2 2 346.500 2.473 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001265449138 1323161391 /nfs/dbraw/zinc/16/13/91/1323161391.db2.gz APHLLJGTQAOGQJ-ZBFHGGJFSA-N 2 2 346.500 2.473 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001265568055 1323223358 /nfs/dbraw/zinc/22/33/58/1323223358.db2.gz IHAZBCQCUHJAMJ-IYBDPMFKSA-N 2 2 348.491 2.237 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001265628398 1323279661 /nfs/dbraw/zinc/27/96/61/1323279661.db2.gz WAJZEFYGRJMBAP-INIZCTEOSA-N 2 2 346.500 2.475 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCC1=CCCCC1 ZINC001265792524 1323384015 /nfs/dbraw/zinc/38/40/15/1323384015.db2.gz PJSFMZOXZDJMRQ-DOTOQJQBSA-N 2 2 330.476 2.430 10 0 EEAELP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)c(F)c1 ZINC001279722913 1323986046 /nfs/dbraw/zinc/98/60/46/1323986046.db2.gz PBGDBTZKWRAKSP-UHFFFAOYSA-N 2 2 344.434 2.474 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001280093915 1324082717 /nfs/dbraw/zinc/08/27/17/1324082717.db2.gz FGWPTILXSGZQQE-XCVZWFEFSA-N 2 2 337.851 2.213 10 0 EEAELP CO[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001280094170 1324082970 /nfs/dbraw/zinc/08/29/70/1324082970.db2.gz IVEXJFDQVLVBCZ-ZIAGYGMSSA-N 2 2 330.432 2.040 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CC[C@H]2CCOC2)CC1 ZINC001280364879 1324177537 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ZINC001646951794 1353068578 /nfs/dbraw/zinc/06/85/78/1353068578.db2.gz YJCUCBJVWGXJPD-JKSUJKDBSA-N 2 2 331.464 2.139 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001656575852 1354249447 /nfs/dbraw/zinc/24/94/47/1354249447.db2.gz JIDZEVAPNRZRDW-NJAFHUGGSA-N 2 2 348.491 2.128 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001661723976 1354681114 /nfs/dbraw/zinc/68/11/14/1354681114.db2.gz SRNAOZZOPXNMMQ-HNNXBMFYSA-N 2 2 344.459 2.431 10 0 EEAELP CCOCCC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001661723976 1354681119 /nfs/dbraw/zinc/68/11/19/1354681119.db2.gz SRNAOZZOPXNMMQ-HNNXBMFYSA-N 2 2 344.459 2.431 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](C[NH2+]C/C=C/Cl)C3)ccn12 ZINC001662630954 1354815423 /nfs/dbraw/zinc/81/54/23/1354815423.db2.gz RJTREEJMCHWYAM-IWZWCOEHSA-N 2 2 332.835 2.447 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001662733916 1354834177 /nfs/dbraw/zinc/83/41/77/1354834177.db2.gz YCXDJDJWIZWMCM-LJQANCHMSA-N 2 2 340.471 2.262 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001666295405 1355504714 /nfs/dbraw/zinc/50/47/14/1355504714.db2.gz KJSZRTNBZAWDEY-WKILWMFISA-N 2 2 344.459 2.390 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001666625879 1355556372 /nfs/dbraw/zinc/55/63/72/1355556372.db2.gz XQINOTPOSIVOQF-OLZOCXBDSA-N 2 2 328.407 2.120 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001667693433 1355787992 /nfs/dbraw/zinc/78/79/92/1355787992.db2.gz HWAOQQHVUPSRBI-DOTOQJQBSA-N 2 2 336.455 2.323 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCCCF)C1 ZINC001667693433 1355787998 /nfs/dbraw/zinc/78/79/98/1355787998.db2.gz HWAOQQHVUPSRBI-DOTOQJQBSA-N 2 2 336.455 2.323 10 0 EEAELP C[C@H](CC[NH2+]C[C@@H]1CCc2ccccc2C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001668224929 1355903422 /nfs/dbraw/zinc/90/34/22/1355903422.db2.gz YNFJGRYWRXOOJQ-HZPDHXFCSA-N 2 2 340.471 2.242 10 0 EEAELP CCN(CC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001668472688 1355948061 /nfs/dbraw/zinc/94/80/61/1355948061.db2.gz HSAYDMRVAQOMIZ-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP CCN(CC[NH2+]C/C(Cl)=C\Cl)C(=O)c1cc(C[NH+](C)C)on1 ZINC001668477413 1355948386 /nfs/dbraw/zinc/94/83/86/1355948386.db2.gz BGJQNCVYGPEFBC-DHZHZOJOSA-N 2 2 349.262 2.107 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc2ccnc(Cl)c2)c[nH+]1 ZINC001669592141 1356180393 /nfs/dbraw/zinc/18/03/93/1356180393.db2.gz RZDXPFRXRBNHTA-LBPRGKRZSA-N 2 2 349.866 2.270 10 0 EEAELP C[C@]1(C[NH2+]CCc2ccccc2F)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001671816006 1356420809 /nfs/dbraw/zinc/42/08/09/1356420809.db2.gz SSSSEWARKREYQR-LJQANCHMSA-N 2 2 344.434 2.093 10 0 EEAELP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001673649920 1356726913 /nfs/dbraw/zinc/72/69/13/1356726913.db2.gz BVRHMTIBZWMJIM-LJQANCHMSA-N 2 2 332.492 2.467 10 0 EEAELP CCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001673649920 1356726917 /nfs/dbraw/zinc/72/69/17/1356726917.db2.gz BVRHMTIBZWMJIM-LJQANCHMSA-N 2 2 332.492 2.467 10 0 EEAELP C[C@@H](CC(=O)N1CCC(C)([NH2+]CCOCC2CC2)CC1)n1cc[nH+]c1 ZINC001673985628 1356767499 /nfs/dbraw/zinc/76/74/99/1356767499.db2.gz MNHPLPTWSJBTAG-INIZCTEOSA-N 2 2 348.491 2.232 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@@H](C)F ZINC001674382617 1356826010 /nfs/dbraw/zinc/82/60/10/1356826010.db2.gz JTMHQXPDVSMJBJ-ZBFHGGJFSA-N 2 2 337.439 2.352 10 0 EEAELP CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690772876 1404937884 /nfs/dbraw/zinc/93/78/84/1404937884.db2.gz YBDCBBPSTDQZRJ-IRXDYDNUSA-N 2 2 344.459 2.310 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001699261445 1405304691 /nfs/dbraw/zinc/30/46/91/1405304691.db2.gz FBPSOOGTBVXLED-FYDYADQUSA-N 2 2 326.391 2.040 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001699261445 1405304699 /nfs/dbraw/zinc/30/46/99/1405304699.db2.gz FBPSOOGTBVXLED-FYDYADQUSA-N 2 2 326.391 2.040 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001699317707 1405333121 /nfs/dbraw/zinc/33/31/21/1405333121.db2.gz UKUWCEXOYRVTTQ-UPHRSURJSA-N 2 2 336.798 2.207 10 0 EEAELP COCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001699693504 1405447170 /nfs/dbraw/zinc/44/71/70/1405447170.db2.gz QLJOWWTVDVSMKS-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP COCCCC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001699693504 1405447180 /nfs/dbraw/zinc/44/71/80/1405447180.db2.gz QLJOWWTVDVSMKS-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP COCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001699693504 1405447184 /nfs/dbraw/zinc/44/71/84/1405447184.db2.gz QLJOWWTVDVSMKS-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP COCCCC[N@H+]1CCC[C@]2(CCN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001699693504 1405447191 /nfs/dbraw/zinc/44/71/91/1405447191.db2.gz QLJOWWTVDVSMKS-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP FC(F)(F)[C@@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCN1 ZINC000925859863 779651612 /nfs/dbraw/zinc/65/16/12/779651612.db2.gz UDWMHCMLHJVYRV-HNNXBMFYSA-N 2 2 328.382 2.325 10 0 EEAELP Cc1cc(C)c(N2CC[C@H]([NH2+][C@H](C)C[C@H]3COCC[NH2+]3)C2=O)c(C)c1 ZINC000817923325 785076580 /nfs/dbraw/zinc/07/65/80/785076580.db2.gz IHTUALZDRFYGJY-SQNIBIBYSA-N 2 2 345.487 2.074 10 0 EEAELP CN(C(=O)C(C)(C)C(C)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823267384 787646642 /nfs/dbraw/zinc/64/66/42/787646642.db2.gz UNEFUISYORHQLH-AWEZNQCLSA-N 2 2 331.451 2.295 10 0 EEAELP CN(C(=O)C(C)(C)C(C)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823267384 787646648 /nfs/dbraw/zinc/64/66/48/787646648.db2.gz UNEFUISYORHQLH-AWEZNQCLSA-N 2 2 331.451 2.295 10 0 EEAELP CC(C)C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCOCC1)n1cc[nH+]c1 ZINC000912949970 788511946 /nfs/dbraw/zinc/51/19/46/788511946.db2.gz XMTRYBJJRPYIAF-INIZCTEOSA-N 2 2 336.480 2.087 10 0 EEAELP Brc1cc2c(s1)CC[N@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923389280 789485263 /nfs/dbraw/zinc/48/52/63/789485263.db2.gz NSYKPJJYNLPHEM-LLVKDONJSA-N 2 2 343.290 2.247 10 0 EEAELP Brc1cc2c(s1)CC[N@@H+](C[C@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923389280 789485266 /nfs/dbraw/zinc/48/52/66/789485266.db2.gz NSYKPJJYNLPHEM-LLVKDONJSA-N 2 2 343.290 2.247 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001437232405 1089328144 /nfs/dbraw/zinc/32/81/44/1089328144.db2.gz VHOHISGHFIJBJW-GJZGRUSLSA-N 2 2 344.459 2.200 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001437232405 1089328153 /nfs/dbraw/zinc/32/81/53/1089328153.db2.gz VHOHISGHFIJBJW-GJZGRUSLSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cccc(F)c1 ZINC001437381358 1089631281 /nfs/dbraw/zinc/63/12/81/1089631281.db2.gz RTEDRRLDHXNHGX-DAXOMENPSA-N 2 2 330.407 2.337 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cccc(F)c1 ZINC001437381358 1089631285 /nfs/dbraw/zinc/63/12/85/1089631285.db2.gz RTEDRRLDHXNHGX-DAXOMENPSA-N 2 2 330.407 2.337 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)c(C)s1 ZINC001437706179 1090252860 /nfs/dbraw/zinc/25/28/60/1090252860.db2.gz YVXZWCSDJGTIRS-OAHLLOKOSA-N 2 2 338.521 2.181 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)c(C)s1 ZINC001437706179 1090252864 /nfs/dbraw/zinc/25/28/64/1090252864.db2.gz YVXZWCSDJGTIRS-OAHLLOKOSA-N 2 2 338.521 2.181 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c(C)s1 ZINC001437706179 1090252870 /nfs/dbraw/zinc/25/28/70/1090252870.db2.gz YVXZWCSDJGTIRS-OAHLLOKOSA-N 2 2 338.521 2.181 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c(C)s1 ZINC001437706179 1090252873 /nfs/dbraw/zinc/25/28/73/1090252873.db2.gz YVXZWCSDJGTIRS-OAHLLOKOSA-N 2 2 338.521 2.181 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@H](C)c2ncc(C)o2)C2CC2)CC[N@@H+]1C ZINC001437786680 1090373449 /nfs/dbraw/zinc/37/34/49/1090373449.db2.gz SWDFAAGVLRVQIN-HYVNUMGLSA-N 2 2 348.491 2.355 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@H](C)c2ncc(C)o2)C2CC2)CC[N@H+]1C ZINC001437786680 1090373455 /nfs/dbraw/zinc/37/34/55/1090373455.db2.gz SWDFAAGVLRVQIN-HYVNUMGLSA-N 2 2 348.491 2.355 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]([C@H](C)c2ncc(C)o2)C2CC2)CC[NH+]1C ZINC001437786680 1090373459 /nfs/dbraw/zinc/37/34/59/1090373459.db2.gz SWDFAAGVLRVQIN-HYVNUMGLSA-N 2 2 348.491 2.355 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]([C@H](C)c2ncc(C)o2)C2CC2)CC[NH+]1C ZINC001437786680 1090373467 /nfs/dbraw/zinc/37/34/67/1090373467.db2.gz SWDFAAGVLRVQIN-HYVNUMGLSA-N 2 2 348.491 2.355 10 0 EEAELP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ncc(C(C)(C)C)o1 ZINC001437848577 1090432007 /nfs/dbraw/zinc/43/20/07/1090432007.db2.gz RKSTWXIDHFNWBW-CQSZACIVSA-N 2 2 336.480 2.177 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001437900198 1090479531 /nfs/dbraw/zinc/47/95/31/1090479531.db2.gz JOUWEFSQBJMPRE-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001437900198 1090479533 /nfs/dbraw/zinc/47/95/33/1090479533.db2.gz JOUWEFSQBJMPRE-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001437907494 1090489572 /nfs/dbraw/zinc/48/95/72/1090489572.db2.gz STUNGEYVCCBJND-SFHVURJKSA-N 2 2 341.459 2.100 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001437907494 1090489573 /nfs/dbraw/zinc/48/95/73/1090489573.db2.gz STUNGEYVCCBJND-SFHVURJKSA-N 2 2 341.459 2.100 10 0 EEAELP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001438245851 1090728440 /nfs/dbraw/zinc/72/84/40/1090728440.db2.gz LQAJJMAVJYFNIX-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001438245851 1090728452 /nfs/dbraw/zinc/72/84/52/1090728452.db2.gz LQAJJMAVJYFNIX-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001438245851 1090728454 /nfs/dbraw/zinc/72/84/54/1090728454.db2.gz LQAJJMAVJYFNIX-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP CCC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001438245851 1090728455 /nfs/dbraw/zinc/72/84/55/1090728455.db2.gz LQAJJMAVJYFNIX-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445773099 1091635892 /nfs/dbraw/zinc/63/58/92/1091635892.db2.gz YKRUTLNTPHUDNI-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445773099 1091635897 /nfs/dbraw/zinc/63/58/97/1091635897.db2.gz YKRUTLNTPHUDNI-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001445978863 1091938556 /nfs/dbraw/zinc/93/85/56/1091938556.db2.gz JSOMWQLEIFYTDF-MAUKXSAKSA-N 2 2 341.459 2.222 10 0 EEAELP CCc1ccc(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CC2)cc1 ZINC001446021324 1092011375 /nfs/dbraw/zinc/01/13/75/1092011375.db2.gz WAWGUMSUFKFGRJ-SFHVURJKSA-N 2 2 326.444 2.130 10 0 EEAELP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001439338806 1092037711 /nfs/dbraw/zinc/03/77/11/1092037711.db2.gz LVIMSLIWDJOROJ-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001439338806 1092037720 /nfs/dbraw/zinc/03/77/20/1092037720.db2.gz LVIMSLIWDJOROJ-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001439386229 1092133482 /nfs/dbraw/zinc/13/34/82/1092133482.db2.gz ZPWHNSCKYRTBGD-UONOGXRCSA-N 2 2 330.432 2.159 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001439386229 1092133484 /nfs/dbraw/zinc/13/34/84/1092133484.db2.gz ZPWHNSCKYRTBGD-UONOGXRCSA-N 2 2 330.432 2.159 10 0 EEAELP CCO[C@H](C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1)C1CC1 ZINC001446214471 1092307643 /nfs/dbraw/zinc/30/76/43/1092307643.db2.gz WQIYKGNCPQUYDK-QGZVFWFLSA-N 2 2 342.443 2.230 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+][C@H](C)c2ccccc2F)CC1 ZINC001439667284 1092604612 /nfs/dbraw/zinc/60/46/12/1092604612.db2.gz QCXXWYWQNQJIMR-GFCCVEGCSA-N 2 2 330.407 2.399 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)C1C[NH+](CCc2cccs2)C1 ZINC001439759972 1092718198 /nfs/dbraw/zinc/71/81/98/1092718198.db2.gz RXSZHEHVSMRXKI-UHFFFAOYSA-N 2 2 332.473 2.110 10 0 EEAELP CC(C)CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001439966727 1093080388 /nfs/dbraw/zinc/08/03/88/1093080388.db2.gz FIVGSFVQPKGBAA-CQSZACIVSA-N 2 2 342.434 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001439966727 1093080395 /nfs/dbraw/zinc/08/03/95/1093080395.db2.gz FIVGSFVQPKGBAA-CQSZACIVSA-N 2 2 342.434 2.462 10 0 EEAELP CC(C)C[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCF)C[C@H]21)n1cc[nH+]c1 ZINC001440192803 1093257763 /nfs/dbraw/zinc/25/77/63/1093257763.db2.gz VJAPXICUOXAORR-GVDBMIGSSA-N 2 2 336.455 2.363 10 0 EEAELP CC(C)C[C@H](C(=O)N1CCC[C@H]2C[N@@H+](CCF)C[C@H]21)n1cc[nH+]c1 ZINC001440192803 1093257769 /nfs/dbraw/zinc/25/77/69/1093257769.db2.gz VJAPXICUOXAORR-GVDBMIGSSA-N 2 2 336.455 2.363 10 0 EEAELP CC(C)[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001448486003 1093511341 /nfs/dbraw/zinc/51/13/41/1093511341.db2.gz WZXOORLHZDHNIO-KRWDZBQOSA-N 2 2 348.491 2.059 10 0 EEAELP CCC1([NH2+]Cc2ccccn2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001440540980 1093808968 /nfs/dbraw/zinc/80/89/68/1093808968.db2.gz WGWDZTZECAUXGL-UHFFFAOYSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)C2)co1 ZINC001440617514 1093884531 /nfs/dbraw/zinc/88/45/31/1093884531.db2.gz FEYKJBABOGXZKF-MRXNPFEDSA-N 2 2 348.491 2.042 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)C2)co1 ZINC001440617514 1093884535 /nfs/dbraw/zinc/88/45/35/1093884535.db2.gz FEYKJBABOGXZKF-MRXNPFEDSA-N 2 2 348.491 2.042 10 0 EEAELP C[N@H+](C/C=C\Cl)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001440730576 1093977330 /nfs/dbraw/zinc/97/73/30/1093977330.db2.gz ZOOHTTGOUQAVBA-KXHZTEOKSA-N 2 2 336.867 2.121 10 0 EEAELP C[N@@H+](C/C=C\Cl)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001440730576 1093977336 /nfs/dbraw/zinc/97/73/36/1093977336.db2.gz ZOOHTTGOUQAVBA-KXHZTEOKSA-N 2 2 336.867 2.121 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCc1ccccc1Cl ZINC001440849741 1094108513 /nfs/dbraw/zinc/10/85/13/1094108513.db2.gz NKDDHQLQWSTAMT-QWHCGFSZSA-N 2 2 334.851 2.331 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)CC1CC(C)(C)C1 ZINC001440975881 1094235614 /nfs/dbraw/zinc/23/56/14/1094235614.db2.gz LYDSOEDBJJTJOU-NUEKZKHPSA-N 2 2 332.492 2.396 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001440975881 1094235617 /nfs/dbraw/zinc/23/56/17/1094235617.db2.gz LYDSOEDBJJTJOU-NUEKZKHPSA-N 2 2 332.492 2.396 10 0 EEAELP Cc1ncc(C[N@@H+]2CCCCC[C@H]2CNC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001441131499 1094460327 /nfs/dbraw/zinc/46/03/27/1094460327.db2.gz FOIFBLHROXWVPE-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1ncc(C[N@H+]2CCCCC[C@H]2CNC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001441131499 1094460329 /nfs/dbraw/zinc/46/03/29/1094460329.db2.gz FOIFBLHROXWVPE-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441438018 1095052666 /nfs/dbraw/zinc/05/26/66/1095052666.db2.gz KGFLRKYMTRMCLS-AEFFLSMTSA-N 2 2 330.476 2.072 10 0 EEAELP CCc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001441540894 1095258297 /nfs/dbraw/zinc/25/82/97/1095258297.db2.gz QRHQYXNGASVAJC-ZDUSSCGKSA-N 2 2 347.463 2.114 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccccc1 ZINC001441565118 1095324519 /nfs/dbraw/zinc/32/45/19/1095324519.db2.gz VIMQEWTWWZXBND-DOTOQJQBSA-N 2 2 326.444 2.082 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441602528 1095448895 /nfs/dbraw/zinc/44/88/95/1095448895.db2.gz ZCIHAFUDBAESPE-KBPBESRZSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441602528 1095448901 /nfs/dbraw/zinc/44/89/01/1095448901.db2.gz ZCIHAFUDBAESPE-KBPBESRZSA-N 2 2 340.418 2.216 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C/Cl)C2 ZINC001441952413 1096153039 /nfs/dbraw/zinc/15/30/39/1096153039.db2.gz PHSITJNHDPCQEM-SFAFXFJOSA-N 2 2 345.274 2.167 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]C/C(Cl)=C\Cl ZINC001442304001 1096619068 /nfs/dbraw/zinc/61/90/68/1096619068.db2.gz XIYRMPSGIHZCJO-WCXXEXJISA-N 2 2 345.274 2.327 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1c(F)ccc2F ZINC001442769590 1097144554 /nfs/dbraw/zinc/14/45/54/1097144554.db2.gz PUAZFSXDTOCMRE-MRXNPFEDSA-N 2 2 348.397 2.287 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1c(F)ccc2F ZINC001442769590 1097144558 /nfs/dbraw/zinc/14/45/58/1097144558.db2.gz PUAZFSXDTOCMRE-MRXNPFEDSA-N 2 2 348.397 2.287 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+][C@H]1CCc2ccccc21 ZINC001443073362 1097484829 /nfs/dbraw/zinc/48/48/29/1097484829.db2.gz DXBRJYTXIXCANT-SFHVURJKSA-N 2 2 339.439 2.368 10 0 EEAELP CN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001443078926 1097492516 /nfs/dbraw/zinc/49/25/16/1097492516.db2.gz FUJPFURMYXQQDB-QFBILLFUSA-N 2 2 338.455 2.181 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001443335742 1097848233 /nfs/dbraw/zinc/84/82/33/1097848233.db2.gz FSUFJPMDNGKXSM-SJORKVTESA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001443335742 1097848239 /nfs/dbraw/zinc/84/82/39/1097848239.db2.gz FSUFJPMDNGKXSM-SJORKVTESA-N 2 2 348.491 2.000 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1C[NH+](CCC2CCCC2)C1 ZINC001443575622 1098072158 /nfs/dbraw/zinc/07/21/58/1098072158.db2.gz CCUKYGLCELPRMO-UHFFFAOYSA-N 2 2 344.503 2.390 10 0 EEAELP CCCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C(C)C)o1 ZINC001443694675 1098201006 /nfs/dbraw/zinc/20/10/06/1098201006.db2.gz RHJCGXPXAZDXHK-HOTGVXAUSA-N 2 2 348.491 2.061 10 0 EEAELP CCCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C(C)C)o1 ZINC001443694675 1098201010 /nfs/dbraw/zinc/20/10/10/1098201010.db2.gz RHJCGXPXAZDXHK-HOTGVXAUSA-N 2 2 348.491 2.061 10 0 EEAELP CCCc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C(C)C)o1 ZINC001443694675 1098201014 /nfs/dbraw/zinc/20/10/14/1098201014.db2.gz RHJCGXPXAZDXHK-HOTGVXAUSA-N 2 2 348.491 2.061 10 0 EEAELP CCCc1nc(C)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C(C)C)o1 ZINC001443694675 1098201017 /nfs/dbraw/zinc/20/10/17/1098201017.db2.gz RHJCGXPXAZDXHK-HOTGVXAUSA-N 2 2 348.491 2.061 10 0 EEAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001443959572 1098478174 /nfs/dbraw/zinc/47/81/74/1098478174.db2.gz GTAKXMBJGVTUJX-HUUCEWRRSA-N 2 2 344.459 2.247 10 0 EEAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001443958422 1098478640 /nfs/dbraw/zinc/47/86/40/1098478640.db2.gz GTAKXMBJGVTUJX-CABCVRRESA-N 2 2 344.459 2.247 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1F ZINC001444006053 1098521110 /nfs/dbraw/zinc/52/11/10/1098521110.db2.gz GLXLXQAKGCEJAO-ZFWWWQNUSA-N 2 2 332.423 2.412 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001444037061 1098556994 /nfs/dbraw/zinc/55/69/94/1098556994.db2.gz QVKWQLDWUDJVRK-KGLIPLIRSA-N 2 2 328.407 2.193 10 0 EEAELP CCc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cs1 ZINC001479478433 1098558808 /nfs/dbraw/zinc/55/88/08/1098558808.db2.gz AGRVYUZJFLLPOK-QWHCGFSZSA-N 2 2 347.488 2.046 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1c(F)cccc1F ZINC001479716723 1098797991 /nfs/dbraw/zinc/79/79/91/1098797991.db2.gz QMPNCHCQOXRRIM-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1c(F)cccc1F ZINC001479716723 1098798003 /nfs/dbraw/zinc/79/80/03/1098798003.db2.gz QMPNCHCQOXRRIM-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479719581 1098808079 /nfs/dbraw/zinc/80/80/79/1098808079.db2.gz CWEXNTWVEOAGRA-ZACQAIPSSA-N 2 2 341.459 2.317 10 0 EEAELP Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479719581 1098808090 /nfs/dbraw/zinc/80/80/90/1098808090.db2.gz CWEXNTWVEOAGRA-ZACQAIPSSA-N 2 2 341.459 2.317 10 0 EEAELP C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]Cc1ccsc1 ZINC001479757646 1098912045 /nfs/dbraw/zinc/91/20/45/1098912045.db2.gz SLZHPCSLVJEOSB-HOCLYGCPSA-N 2 2 346.500 2.299 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]Cc1ccsc1 ZINC001479757644 1098912612 /nfs/dbraw/zinc/91/26/12/1098912612.db2.gz SLZHPCSLVJEOSB-GDBMZVCRSA-N 2 2 346.500 2.299 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCc2ccccc2C1 ZINC001479817549 1099091872 /nfs/dbraw/zinc/09/18/72/1099091872.db2.gz VKRVMPUNXWGESZ-QGZVFWFLSA-N 2 2 340.471 2.126 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCc2ccccc2C1 ZINC001479817549 1099091885 /nfs/dbraw/zinc/09/18/85/1099091885.db2.gz VKRVMPUNXWGESZ-QGZVFWFLSA-N 2 2 340.471 2.126 10 0 EEAELP CC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@@H](C)OC ZINC001479844110 1099135279 /nfs/dbraw/zinc/13/52/79/1099135279.db2.gz YPZACXMVQIZZBS-OAHLLOKOSA-N 2 2 332.448 2.119 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@@H](C)OC ZINC001479844110 1099135282 /nfs/dbraw/zinc/13/52/82/1099135282.db2.gz YPZACXMVQIZZBS-OAHLLOKOSA-N 2 2 332.448 2.119 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC001480063487 1099593551 /nfs/dbraw/zinc/59/35/51/1099593551.db2.gz QBRWCCVAYIBIEI-PKOBYXMFSA-N 2 2 338.455 2.433 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c1 ZINC001444919240 1100004798 /nfs/dbraw/zinc/00/47/98/1100004798.db2.gz UHRVFPOGTMLATF-KRWDZBQOSA-N 2 2 332.423 2.330 10 0 EEAELP Cc1ncc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCCn2cc[nH+]c2)o1 ZINC001480335684 1100099901 /nfs/dbraw/zinc/09/99/01/1100099901.db2.gz SVMITGCOEMJWAN-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1ncc(C[N@H+]2CCCC[C@@H]2CNC(=O)CCCn2cc[nH+]c2)o1 ZINC001480335684 1100099909 /nfs/dbraw/zinc/09/99/09/1100099909.db2.gz SVMITGCOEMJWAN-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCOC1)c1c[nH+]c[nH]1 ZINC001480364646 1100138620 /nfs/dbraw/zinc/13/86/20/1100138620.db2.gz ACBPPUMSZBIDKY-HOTGVXAUSA-N 2 2 348.491 2.085 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480383640 1100179400 /nfs/dbraw/zinc/17/94/00/1100179400.db2.gz RWCYWSKTAILOGW-GJZGRUSLSA-N 2 2 344.459 2.430 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480383640 1100179404 /nfs/dbraw/zinc/17/94/04/1100179404.db2.gz RWCYWSKTAILOGW-GJZGRUSLSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001445025058 1100186338 /nfs/dbraw/zinc/18/63/38/1100186338.db2.gz GPHGGIDWEIPAQG-AWEZNQCLSA-N 2 2 338.496 2.375 10 0 EEAELP C[C@@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001445025058 1100186341 /nfs/dbraw/zinc/18/63/41/1100186341.db2.gz GPHGGIDWEIPAQG-AWEZNQCLSA-N 2 2 338.496 2.375 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[NH2+]Cc1nc(C)c(C)o1 ZINC001480464481 1100269227 /nfs/dbraw/zinc/26/92/27/1100269227.db2.gz TZJKBSWKPZAPDO-OLZOCXBDSA-N 2 2 347.463 2.296 10 0 EEAELP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001480479296 1100288001 /nfs/dbraw/zinc/28/80/01/1100288001.db2.gz HJSOQFPALSUYHG-HIFRSBDPSA-N 2 2 334.464 2.021 10 0 EEAELP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001480479296 1100288005 /nfs/dbraw/zinc/28/80/05/1100288005.db2.gz HJSOQFPALSUYHG-HIFRSBDPSA-N 2 2 334.464 2.021 10 0 EEAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001480547061 1100381637 /nfs/dbraw/zinc/38/16/37/1100381637.db2.gz XGYVJYCALHUUEC-OLZOCXBDSA-N 2 2 336.386 2.407 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]Cc2cncs2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001446414692 1100824296 /nfs/dbraw/zinc/82/42/96/1100824296.db2.gz CCSQBJROLWMLCG-CABCVRRESA-N 2 2 347.488 2.289 10 0 EEAELP CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CCCCC1 ZINC001496312240 1100903711 /nfs/dbraw/zinc/90/37/11/1100903711.db2.gz AYKDUUDPVJYGII-ZWKOTPCHSA-N 2 2 347.507 2.465 10 0 EEAELP CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CCCCC1 ZINC001496312240 1100903719 /nfs/dbraw/zinc/90/37/19/1100903719.db2.gz AYKDUUDPVJYGII-ZWKOTPCHSA-N 2 2 347.507 2.465 10 0 EEAELP CC(C)[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001446729694 1101307686 /nfs/dbraw/zinc/30/76/86/1101307686.db2.gz VIFDKPCKSZDXIR-ZIAGYGMSSA-N 2 2 328.407 2.316 10 0 EEAELP CC(C)[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001446729694 1101307694 /nfs/dbraw/zinc/30/76/94/1101307694.db2.gz VIFDKPCKSZDXIR-ZIAGYGMSSA-N 2 2 328.407 2.316 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001495747885 1101524925 /nfs/dbraw/zinc/52/49/25/1101524925.db2.gz OCNDWIIUBIDRBT-HZPDHXFCSA-N 2 2 340.471 2.099 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001497021427 1101843692 /nfs/dbraw/zinc/84/36/92/1101843692.db2.gz AWRLOZQZBIIDSJ-KRWDZBQOSA-N 2 2 331.460 2.188 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001497318846 1102313319 /nfs/dbraw/zinc/31/33/19/1102313319.db2.gz WWLSEVRXDAVKDN-LBPRGKRZSA-N 2 2 347.463 2.365 10 0 EEAELP CCOC1CC(C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001497611941 1102749519 /nfs/dbraw/zinc/74/95/19/1102749519.db2.gz QPOUIDLQSXCTGW-ARJAWSKDSA-N 2 2 342.443 2.254 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497617313 1102757238 /nfs/dbraw/zinc/75/72/38/1102757238.db2.gz UFLXGQMFLOFRHP-SQRWCISFSA-N 2 2 334.464 2.044 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001497617313 1102757246 /nfs/dbraw/zinc/75/72/46/1102757246.db2.gz UFLXGQMFLOFRHP-SQRWCISFSA-N 2 2 334.464 2.044 10 0 EEAELP COc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C ZINC001497936185 1103371477 /nfs/dbraw/zinc/37/14/77/1103371477.db2.gz FPNAQWNNRRQGTC-HUUCEWRRSA-N 2 2 344.459 2.200 10 0 EEAELP COc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C ZINC001497936185 1103371488 /nfs/dbraw/zinc/37/14/88/1103371488.db2.gz FPNAQWNNRRQGTC-HUUCEWRRSA-N 2 2 344.459 2.200 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001494027944 1103379097 /nfs/dbraw/zinc/37/90/97/1103379097.db2.gz IFKNZCBTFFPUHJ-GDBMZVCRSA-N 2 2 337.439 2.209 10 0 EEAELP CC[C@@H](F)C[N@H+]1CC[C@@H](CCNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001494027944 1103379105 /nfs/dbraw/zinc/37/91/05/1103379105.db2.gz IFKNZCBTFFPUHJ-GDBMZVCRSA-N 2 2 337.439 2.209 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc2ccns2)c[nH+]1 ZINC001447870704 1103483812 /nfs/dbraw/zinc/48/38/12/1103483812.db2.gz ANCVUODNRXCECY-KGLIPLIRSA-N 2 2 349.504 2.109 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001447883953 1103513421 /nfs/dbraw/zinc/51/34/21/1103513421.db2.gz KYEQSWSZVWCWRL-CVEARBPZSA-N 2 2 340.471 2.445 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001447932828 1103633660 /nfs/dbraw/zinc/63/36/60/1103633660.db2.gz ZSIHXWCQWRDNLY-HOTGVXAUSA-N 2 2 328.460 2.344 10 0 EEAELP CC(C)C[C@@H](C)C[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001494556149 1104146838 /nfs/dbraw/zinc/14/68/38/1104146838.db2.gz INKQFJVCJNYDKN-MRXNPFEDSA-N 2 2 346.519 2.492 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC001494638737 1104223129 /nfs/dbraw/zinc/22/31/29/1104223129.db2.gz OCNMKUNIGXBUMN-UHFFFAOYSA-N 2 2 334.370 2.069 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001448347970 1104439591 /nfs/dbraw/zinc/43/95/91/1104439591.db2.gz WCMZEKKSIZKURD-AWEZNQCLSA-N 2 2 330.476 2.359 10 0 EEAELP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001494899705 1104527719 /nfs/dbraw/zinc/52/77/19/1104527719.db2.gz HRZPCMJAACRVJI-SJORKVTESA-N 2 2 348.491 2.080 10 0 EEAELP CCN(C(=O)CCc1c[nH]c[nH+]1)[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001494899705 1104527729 /nfs/dbraw/zinc/52/77/29/1104527729.db2.gz HRZPCMJAACRVJI-SJORKVTESA-N 2 2 348.491 2.080 10 0 EEAELP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001494899705 1104527734 /nfs/dbraw/zinc/52/77/34/1104527734.db2.gz HRZPCMJAACRVJI-SJORKVTESA-N 2 2 348.491 2.080 10 0 EEAELP CCN(C(=O)CCc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001494899705 1104527744 /nfs/dbraw/zinc/52/77/44/1104527744.db2.gz HRZPCMJAACRVJI-SJORKVTESA-N 2 2 348.491 2.080 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC001494926442 1104570462 /nfs/dbraw/zinc/57/04/62/1104570462.db2.gz UPFODFBRHBJAAT-IBGZPJMESA-N 2 2 340.471 2.357 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC001494926442 1104570469 /nfs/dbraw/zinc/57/04/69/1104570469.db2.gz UPFODFBRHBJAAT-IBGZPJMESA-N 2 2 340.471 2.357 10 0 EEAELP COc1cccc(C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001498128227 1106959538 /nfs/dbraw/zinc/95/95/38/1106959538.db2.gz XNMVEZWLNMLEJI-GJZGRUSLSA-N 2 2 330.432 2.137 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001498132787 1106964127 /nfs/dbraw/zinc/96/41/27/1106964127.db2.gz JRJCRLQKEXRCFS-HOTGVXAUSA-N 2 2 328.460 2.500 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001498132787 1106964138 /nfs/dbraw/zinc/96/41/38/1106964138.db2.gz JRJCRLQKEXRCFS-HOTGVXAUSA-N 2 2 328.460 2.500 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001480812459 1107161755 /nfs/dbraw/zinc/16/17/55/1107161755.db2.gz JFXXPLZFQSHDOZ-AEFFLSMTSA-N 2 2 340.471 2.488 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1Cc1ccns1 ZINC001480825760 1107203859 /nfs/dbraw/zinc/20/38/59/1107203859.db2.gz DLYGEDLBHULRHA-OAHLLOKOSA-N 2 2 347.488 2.291 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1Cc1ccns1 ZINC001480825760 1107203869 /nfs/dbraw/zinc/20/38/69/1107203869.db2.gz DLYGEDLBHULRHA-OAHLLOKOSA-N 2 2 347.488 2.291 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001498287434 1107219188 /nfs/dbraw/zinc/21/91/88/1107219188.db2.gz GVIDOKMAFWGZFI-WMLDXEAASA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001498287434 1107219193 /nfs/dbraw/zinc/21/91/93/1107219193.db2.gz GVIDOKMAFWGZFI-WMLDXEAASA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001498287434 1107219197 /nfs/dbraw/zinc/21/91/97/1107219197.db2.gz GVIDOKMAFWGZFI-WMLDXEAASA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001498287434 1107219203 /nfs/dbraw/zinc/21/92/03/1107219203.db2.gz GVIDOKMAFWGZFI-WMLDXEAASA-N 2 2 333.480 2.193 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCCO1 ZINC001480833549 1107232421 /nfs/dbraw/zinc/23/24/21/1107232421.db2.gz UVNMJPALMHIFPP-QZTJIDSGSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1CC[C@H]1CCCCO1 ZINC001480833549 1107232432 /nfs/dbraw/zinc/23/24/32/1107232432.db2.gz UVNMJPALMHIFPP-QZTJIDSGSA-N 2 2 348.491 2.203 10 0 EEAELP CCn1ccc(C[N@H+](CC)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001493027589 1107337169 /nfs/dbraw/zinc/33/71/69/1107337169.db2.gz HOIJGDPVNCHMSL-QGZVFWFLSA-N 2 2 349.523 2.106 10 0 EEAELP CCn1ccc(C[N@@H+](CC)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)n1 ZINC001493027589 1107337184 /nfs/dbraw/zinc/33/71/84/1107337184.db2.gz HOIJGDPVNCHMSL-QGZVFWFLSA-N 2 2 349.523 2.106 10 0 EEAELP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001498633450 1107851401 /nfs/dbraw/zinc/85/14/01/1107851401.db2.gz OTBRDFBCWLVIJZ-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493600026 1108382695 /nfs/dbraw/zinc/38/26/95/1108382695.db2.gz BKOAXNLCZKGJIU-HNNXBMFYSA-N 2 2 346.862 2.347 10 0 EEAELP CCc1nc(C[NH2+]CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cs1 ZINC001493708693 1108544091 /nfs/dbraw/zinc/54/40/91/1108544091.db2.gz BWSYDXCYOVBRAI-ZDUSSCGKSA-N 2 2 335.477 2.101 10 0 EEAELP CC[C@@H]1CCCC[C@@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001470349975 1110505080 /nfs/dbraw/zinc/50/50/80/1110505080.db2.gz ABKWTNDITDXWPH-IAGOWNOFSA-N 2 2 326.529 2.386 10 0 EEAELP CC[C@@H]1CCCC[C@@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001470349975 1110505082 /nfs/dbraw/zinc/50/50/82/1110505082.db2.gz ABKWTNDITDXWPH-IAGOWNOFSA-N 2 2 326.529 2.386 10 0 EEAELP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CCO1 ZINC001472971120 1110569441 /nfs/dbraw/zinc/56/94/41/1110569441.db2.gz UISGHHIVZMAUCX-LSDHHAIUSA-N 2 2 342.443 2.136 10 0 EEAELP C[C@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CN1CCOCC1 ZINC001473748002 1110579892 /nfs/dbraw/zinc/57/98/92/1110579892.db2.gz TYDVOMXMYZSNKW-MJGOQNOKSA-N 2 2 328.460 2.182 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001499507514 1112328303 /nfs/dbraw/zinc/32/83/03/1112328303.db2.gz FYOCYVFYEJHKIA-YYIAUSFCSA-N 2 2 346.475 2.004 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001499507514 1112328308 /nfs/dbraw/zinc/32/83/08/1112328308.db2.gz FYOCYVFYEJHKIA-YYIAUSFCSA-N 2 2 346.475 2.004 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)CCc1[nH+]ccn1C ZINC001499839785 1112506699 /nfs/dbraw/zinc/50/66/99/1112506699.db2.gz LACNYOYRRVRXPM-HZPDHXFCSA-N 2 2 338.471 2.462 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CCCC1 ZINC001500089076 1112612516 /nfs/dbraw/zinc/61/25/16/1112612516.db2.gz RWXQURDYIWMFLJ-ROUUACIJSA-N 2 2 347.507 2.463 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CCCC1 ZINC001500089076 1112612519 /nfs/dbraw/zinc/61/25/19/1112612519.db2.gz RWXQURDYIWMFLJ-ROUUACIJSA-N 2 2 347.507 2.463 10 0 EEAELP C[C@@]1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC[N@H+](CCC2CC2)C1 ZINC001500505779 1112898244 /nfs/dbraw/zinc/89/82/44/1112898244.db2.gz WRIRJLOSWCQDOA-XLIONFOSSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@@]1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC[N@@H+](CCC2CC2)C1 ZINC001500505779 1112898252 /nfs/dbraw/zinc/89/82/52/1112898252.db2.gz WRIRJLOSWCQDOA-XLIONFOSSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccns2)C1 ZINC001500508748 1112900488 /nfs/dbraw/zinc/90/04/88/1112900488.db2.gz OHLFCTZMLQHVSO-KRWDZBQOSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccns2)C1 ZINC001500508748 1112900489 /nfs/dbraw/zinc/90/04/89/1112900489.db2.gz OHLFCTZMLQHVSO-KRWDZBQOSA-N 2 2 347.488 2.067 10 0 EEAELP CO[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001501568352 1113385574 /nfs/dbraw/zinc/38/55/74/1113385574.db2.gz KHLAKJOZKBNDOQ-HOTGVXAUSA-N 2 2 344.459 2.119 10 0 EEAELP C[C@H](F)CC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC001501952825 1113534941 /nfs/dbraw/zinc/53/49/41/1113534941.db2.gz WCLMZHLZFHLKOL-AWEZNQCLSA-N 2 2 336.455 2.139 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001502347751 1113638035 /nfs/dbraw/zinc/63/80/35/1113638035.db2.gz AZJITKGMFWCIQA-UHFFFAOYSA-N 2 2 341.415 2.453 10 0 EEAELP Cc1ncc(C[N@H+](C)CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001502347751 1113638039 /nfs/dbraw/zinc/63/80/39/1113638039.db2.gz AZJITKGMFWCIQA-UHFFFAOYSA-N 2 2 341.415 2.453 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC2(C[NH+](CCCC(C)C)C2)O1 ZINC001502443807 1113686723 /nfs/dbraw/zinc/68/67/23/1113686723.db2.gz YZGHAPRRMHMAQO-INIZCTEOSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1cc(C[NH2+]CC2CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001505522082 1114033523 /nfs/dbraw/zinc/03/35/23/1114033523.db2.gz UKPGXYXYZCFIIM-NFOMZHRRSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1ncc(C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)Cc2ccccc2)o1 ZINC001506066858 1114390622 /nfs/dbraw/zinc/39/06/22/1114390622.db2.gz DABVXVYPQLDZMR-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncc(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)Cc2ccccc2)o1 ZINC001506066858 1114390626 /nfs/dbraw/zinc/39/06/26/1114390626.db2.gz DABVXVYPQLDZMR-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc2ccccc2)o1 ZINC001506066858 1114390629 /nfs/dbraw/zinc/39/06/29/1114390629.db2.gz DABVXVYPQLDZMR-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc2ccccc2)o1 ZINC001506066858 1114390633 /nfs/dbraw/zinc/39/06/33/1114390633.db2.gz DABVXVYPQLDZMR-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]C[C@H]2CCOC2)CCCCC1 ZINC001506520703 1114669805 /nfs/dbraw/zinc/66/98/05/1114669805.db2.gz ITPNPJTXNGHHQI-JKSUJKDBSA-N 2 2 348.491 2.034 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]C[C@H]2CCOC2)CCCCC1 ZINC001506520703 1114669807 /nfs/dbraw/zinc/66/98/07/1114669807.db2.gz ITPNPJTXNGHHQI-JKSUJKDBSA-N 2 2 348.491 2.034 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001507325220 1115193479 /nfs/dbraw/zinc/19/34/79/1115193479.db2.gz OXCAOIIVVGHQEH-JKSUJKDBSA-N 2 2 342.443 2.000 10 0 EEAELP CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001567863582 1124146037 /nfs/dbraw/zinc/14/60/37/1124146037.db2.gz GMHFISZSRYYJDY-GBESFXJTSA-N 2 2 345.487 2.001 10 0 EEAELP CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001567863582 1124146041 /nfs/dbraw/zinc/14/60/41/1124146041.db2.gz GMHFISZSRYYJDY-GBESFXJTSA-N 2 2 345.487 2.001 10 0 EEAELP CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001567863582 1124146044 /nfs/dbraw/zinc/14/60/44/1124146044.db2.gz GMHFISZSRYYJDY-GBESFXJTSA-N 2 2 345.487 2.001 10 0 EEAELP CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC001567863582 1124146048 /nfs/dbraw/zinc/14/60/48/1124146048.db2.gz GMHFISZSRYYJDY-GBESFXJTSA-N 2 2 345.487 2.001 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]Cc1nc2ccccc2o1 ZINC001567988678 1124218685 /nfs/dbraw/zinc/21/86/85/1124218685.db2.gz HALLSBBRZGMNNB-AWEZNQCLSA-N 2 2 341.415 2.017 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]CCCC1CCC1 ZINC001568179531 1124342557 /nfs/dbraw/zinc/34/25/57/1124342557.db2.gz WMQQXQCTGCDPNT-RDJZCZTQSA-N 2 2 332.492 2.368 10 0 EEAELP COCCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001568358938 1124436153 /nfs/dbraw/zinc/43/61/53/1124436153.db2.gz GYEFJINRRXYSRW-GOEBONIOSA-N 2 2 344.459 2.430 10 0 EEAELP CN(CC[N@H+](C)Cc1cc2ccccc2o1)C(=O)Cn1cc[nH+]c1 ZINC001568506063 1124562161 /nfs/dbraw/zinc/56/21/61/1124562161.db2.gz CPTJNQBVEUZXFM-UHFFFAOYSA-N 2 2 326.400 2.220 10 0 EEAELP CN(CC[N@@H+](C)Cc1cc2ccccc2o1)C(=O)Cn1cc[nH+]c1 ZINC001568506063 1124562167 /nfs/dbraw/zinc/56/21/67/1124562167.db2.gz CPTJNQBVEUZXFM-UHFFFAOYSA-N 2 2 326.400 2.220 10 0 EEAELP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174353367 231186815 /nfs/dbraw/zinc/18/68/15/231186815.db2.gz CLUHQQLUVZGXFQ-YOEHRIQHSA-N 2 2 327.432 2.327 10 0 EEAELP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174353367 231186819 /nfs/dbraw/zinc/18/68/19/231186819.db2.gz CLUHQQLUVZGXFQ-YOEHRIQHSA-N 2 2 327.432 2.327 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)co1 ZINC000072423799 216213358 /nfs/dbraw/zinc/21/33/58/216213358.db2.gz HFVININRYUWZTP-OAHLLOKOSA-N 2 2 344.463 2.087 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H](c3nnc(C[NH+]4CCCC4)n3C)C2)co1 ZINC000072423799 216213361 /nfs/dbraw/zinc/21/33/61/216213361.db2.gz HFVININRYUWZTP-OAHLLOKOSA-N 2 2 344.463 2.087 10 0 EEAELP C[C@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1c[nH+]ccc1N ZINC000422846058 240257446 /nfs/dbraw/zinc/25/74/46/240257446.db2.gz DQOHFFMGFWRASL-INIZCTEOSA-N 3 2 332.492 2.427 10 0 EEAELP CC1CC[NH+](C2CCC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000422971029 240310195 /nfs/dbraw/zinc/31/01/95/240310195.db2.gz XTVNYHLINOKJAL-GUMHCPJTSA-N 3 2 335.536 2.386 10 0 EEAELP Fc1cc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000423152505 240385906 /nfs/dbraw/zinc/38/59/06/240385906.db2.gz LQDJBPPOURTPAK-HOTGVXAUSA-N 2 2 328.815 2.215 10 0 EEAELP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C2(OC)CCOCC2)CC1 ZINC000453108022 243399117 /nfs/dbraw/zinc/39/91/17/243399117.db2.gz KCMKOULUBJFBSA-HNNXBMFYSA-N 2 2 328.497 2.050 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000247098573 243370692 /nfs/dbraw/zinc/37/06/92/243370692.db2.gz IBVYLHJSBXNGKO-DOTOQJQBSA-N 2 2 330.407 2.448 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000247098573 243370697 /nfs/dbraw/zinc/37/06/97/243370697.db2.gz IBVYLHJSBXNGKO-DOTOQJQBSA-N 2 2 330.407 2.448 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCc2ccccc2)[C@@H](C)C1 ZINC000471239139 245378195 /nfs/dbraw/zinc/37/81/95/245378195.db2.gz ZSQNTUZTQLEUMD-HKUYNNGSSA-N 2 2 331.504 2.398 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCc2ccccc2)[C@@H](C)C1 ZINC000471239139 245378203 /nfs/dbraw/zinc/37/82/03/245378203.db2.gz ZSQNTUZTQLEUMD-HKUYNNGSSA-N 2 2 331.504 2.398 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCc2ccccc2)[C@@H](C)C1 ZINC000471239139 245378208 /nfs/dbraw/zinc/37/82/08/245378208.db2.gz ZSQNTUZTQLEUMD-HKUYNNGSSA-N 2 2 331.504 2.398 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCc2ccccc2)[C@@H](C)C1 ZINC000471239139 245378215 /nfs/dbraw/zinc/37/82/15/245378215.db2.gz ZSQNTUZTQLEUMD-HKUYNNGSSA-N 2 2 331.504 2.398 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000111231011 220116968 /nfs/dbraw/zinc/11/69/68/220116968.db2.gz QSFYZTCZWHXSAN-GOSISDBHSA-N 2 2 345.487 2.060 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000111231011 220116971 /nfs/dbraw/zinc/11/69/71/220116971.db2.gz QSFYZTCZWHXSAN-GOSISDBHSA-N 2 2 345.487 2.060 10 0 EEAELP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422779221 285435757 /nfs/dbraw/zinc/43/57/57/285435757.db2.gz FLIGHXIHKMLUSP-UXHICEINSA-N 3 2 329.488 2.139 10 0 EEAELP C[NH+]1CCC(CNC(=O)Cc2cccs2)([NH+]2CCCCC2)CC1 ZINC000172752604 152115685 /nfs/dbraw/zinc/11/56/85/152115685.db2.gz NRNPWUMNQZBYTJ-UHFFFAOYSA-N 2 2 335.517 2.357 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCc2sccc2C1 ZINC000374198022 154000493 /nfs/dbraw/zinc/00/04/93/154000493.db2.gz FVZXYQJEDIEWAT-UHFFFAOYSA-N 2 2 330.457 2.236 10 0 EEAELP CCO[C@@H]1C[C@@](O)(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000189441950 160142309 /nfs/dbraw/zinc/14/23/09/160142309.db2.gz GWJDVIGSQSNMAG-UYAOXDASSA-N 2 2 347.503 2.202 10 0 EEAELP C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202033 160230493 /nfs/dbraw/zinc/23/04/93/160230493.db2.gz OUJCRBGAAWPNTM-OWCLPIDISA-N 2 2 330.476 2.428 10 0 EEAELP C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202033 160230494 /nfs/dbraw/zinc/23/04/94/160230494.db2.gz OUJCRBGAAWPNTM-OWCLPIDISA-N 2 2 330.476 2.428 10 0 EEAELP Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247651125 160330442 /nfs/dbraw/zinc/33/04/42/160330442.db2.gz PFOPSPBPVVHTJF-AEFFLSMTSA-N 2 2 326.444 2.391 10 0 EEAELP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247651125 160330444 /nfs/dbraw/zinc/33/04/44/160330444.db2.gz PFOPSPBPVVHTJF-AEFFLSMTSA-N 2 2 326.444 2.391 10 0 EEAELP CC[NH+](CC)CCN(CCC(F)(F)F)c1nc(C)[nH+]c(N(C)C)n1 ZINC000339038452 160822901 /nfs/dbraw/zinc/82/29/01/160822901.db2.gz PMUFKTMMUAAGTP-UHFFFAOYSA-N 2 2 348.417 2.347 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000342816547 161092906 /nfs/dbraw/zinc/09/29/06/161092906.db2.gz WYWHGIAZATZZPK-XGXHKWSGSA-N 2 2 334.504 2.255 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000342816547 161092907 /nfs/dbraw/zinc/09/29/07/161092907.db2.gz WYWHGIAZATZZPK-XGXHKWSGSA-N 2 2 334.504 2.255 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000343437843 161136398 /nfs/dbraw/zinc/13/63/98/161136398.db2.gz KBHYOWFSZVTZAN-UHFFFAOYSA-N 2 2 331.451 2.202 10 0 EEAELP CCOc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000343717957 161161644 /nfs/dbraw/zinc/16/16/44/161161644.db2.gz SPYUYWSVMGMQII-DFNIBXOVSA-N 2 2 344.503 2.223 10 0 EEAELP CCOc1cccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000343717957 161161645 /nfs/dbraw/zinc/16/16/45/161161645.db2.gz SPYUYWSVMGMQII-DFNIBXOVSA-N 2 2 344.503 2.223 10 0 EEAELP CCOc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000343717957 161161646 /nfs/dbraw/zinc/16/16/46/161161646.db2.gz SPYUYWSVMGMQII-DFNIBXOVSA-N 2 2 344.503 2.223 10 0 EEAELP CCOc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000343717957 161161647 /nfs/dbraw/zinc/16/16/47/161161647.db2.gz SPYUYWSVMGMQII-DFNIBXOVSA-N 2 2 344.503 2.223 10 0 EEAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344041538 161192763 /nfs/dbraw/zinc/19/27/63/161192763.db2.gz WEZWPAPHRKAKJV-AWEZNQCLSA-N 2 2 325.501 2.243 10 0 EEAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344041538 161192764 /nfs/dbraw/zinc/19/27/64/161192764.db2.gz WEZWPAPHRKAKJV-AWEZNQCLSA-N 2 2 325.501 2.243 10 0 EEAELP Cc1nccc(N2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)n1 ZINC000351986833 162015917 /nfs/dbraw/zinc/01/59/17/162015917.db2.gz NBRIXZLLPYREPD-UHFFFAOYSA-N 2 2 348.353 2.429 10 0 EEAELP Cc1nc(N2CC[NH+](Cc3ccc4c(c3)OC(F)(F)O4)CC2)cc[nH+]1 ZINC000351986833 162015920 /nfs/dbraw/zinc/01/59/20/162015920.db2.gz NBRIXZLLPYREPD-UHFFFAOYSA-N 2 2 348.353 2.429 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352398496 162121541 /nfs/dbraw/zinc/12/15/41/162121541.db2.gz OYIFMCQNACFYBR-BBWFWOEESA-N 2 2 345.491 2.155 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352398496 162121544 /nfs/dbraw/zinc/12/15/44/162121544.db2.gz OYIFMCQNACFYBR-BBWFWOEESA-N 2 2 345.491 2.155 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](CCO)CC1CC1 ZINC000352468866 162145920 /nfs/dbraw/zinc/14/59/20/162145920.db2.gz VPZFRUJFJSCZLF-ZDUSSCGKSA-N 2 2 328.416 2.108 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](CCO)CC1CC1 ZINC000352468866 162145921 /nfs/dbraw/zinc/14/59/21/162145921.db2.gz VPZFRUJFJSCZLF-ZDUSSCGKSA-N 2 2 328.416 2.108 10 0 EEAELP CC(=O)N1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000355323651 163145790 /nfs/dbraw/zinc/14/57/90/163145790.db2.gz WGXFCRBGMXNHIF-UHFFFAOYSA-N 2 2 347.425 2.392 10 0 EEAELP COC(=O)c1ccccc1OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364689259 165236520 /nfs/dbraw/zinc/23/65/20/165236520.db2.gz DMRFWQOCYAHLSD-UHFFFAOYSA-N 2 2 329.400 2.455 10 0 EEAELP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366105386 165647717 /nfs/dbraw/zinc/64/77/17/165647717.db2.gz LNWARXCZYAPHNV-INIZCTEOSA-N 2 2 347.507 2.421 10 0 EEAELP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366105386 165647721 /nfs/dbraw/zinc/64/77/21/165647721.db2.gz LNWARXCZYAPHNV-INIZCTEOSA-N 2 2 347.507 2.421 10 0 EEAELP CCCC[N@H+](C)CC1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366105386 165647723 /nfs/dbraw/zinc/64/77/23/165647723.db2.gz LNWARXCZYAPHNV-INIZCTEOSA-N 2 2 347.507 2.421 10 0 EEAELP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366105386 165647725 /nfs/dbraw/zinc/64/77/25/165647725.db2.gz LNWARXCZYAPHNV-INIZCTEOSA-N 2 2 347.507 2.421 10 0 EEAELP Cc1cc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)n(C(C)(C)C)n1 ZINC000123243168 222241184 /nfs/dbraw/zinc/24/11/84/222241184.db2.gz ODUCWSZRVYGLIV-CABCVRRESA-N 2 2 335.496 2.300 10 0 EEAELP Cc1cc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)n(C(C)(C)C)n1 ZINC000123243168 222241187 /nfs/dbraw/zinc/24/11/87/222241187.db2.gz ODUCWSZRVYGLIV-CABCVRRESA-N 2 2 335.496 2.300 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)n(C(C)(C)C)n1 ZINC000123243168 222241188 /nfs/dbraw/zinc/24/11/88/222241188.db2.gz ODUCWSZRVYGLIV-CABCVRRESA-N 2 2 335.496 2.300 10 0 EEAELP Cc1cc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)n(C(C)(C)C)n1 ZINC000123243168 222241191 /nfs/dbraw/zinc/24/11/91/222241191.db2.gz ODUCWSZRVYGLIV-CABCVRRESA-N 2 2 335.496 2.300 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123287196 222250727 /nfs/dbraw/zinc/25/07/27/222250727.db2.gz DAVRDKLIHOCLRZ-RHSMWYFYSA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123287196 222250730 /nfs/dbraw/zinc/25/07/30/222250730.db2.gz DAVRDKLIHOCLRZ-RHSMWYFYSA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123287196 222250733 /nfs/dbraw/zinc/25/07/33/222250733.db2.gz DAVRDKLIHOCLRZ-RHSMWYFYSA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123287196 222250736 /nfs/dbraw/zinc/25/07/36/222250736.db2.gz DAVRDKLIHOCLRZ-RHSMWYFYSA-N 2 2 347.459 2.216 10 0 EEAELP Cc1cn2cc(NC(=O)NCCC[N@@H+]3CCCO[C@H](C)C3)ccc2[nH+]1 ZINC000277371275 269151233 /nfs/dbraw/zinc/15/12/33/269151233.db2.gz FRWAINGFTXDLGF-OAHLLOKOSA-N 2 2 345.447 2.265 10 0 EEAELP Cc1cn2cc(NC(=O)NCCC[N@H+]3CCCO[C@H](C)C3)ccc2[nH+]1 ZINC000277371275 269151234 /nfs/dbraw/zinc/15/12/34/269151234.db2.gz FRWAINGFTXDLGF-OAHLLOKOSA-N 2 2 345.447 2.265 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000271363905 274124454 /nfs/dbraw/zinc/12/44/54/274124454.db2.gz YSMXGDMMNCSXKA-UHFFFAOYSA-N 2 2 327.432 2.119 10 0 EEAELP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377755056 274206983 /nfs/dbraw/zinc/20/69/83/274206983.db2.gz AYFXSRLVSRMJAW-WDEREUQCSA-N 2 2 333.823 2.322 10 0 EEAELP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377755056 274206987 /nfs/dbraw/zinc/20/69/87/274206987.db2.gz AYFXSRLVSRMJAW-WDEREUQCSA-N 2 2 333.823 2.322 10 0 EEAELP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000245428867 275004396 /nfs/dbraw/zinc/00/43/96/275004396.db2.gz XSOCCUPCEBNOLD-OALUTQOASA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000245428867 275004397 /nfs/dbraw/zinc/00/43/97/275004397.db2.gz XSOCCUPCEBNOLD-OALUTQOASA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245428867 275004398 /nfs/dbraw/zinc/00/43/98/275004398.db2.gz XSOCCUPCEBNOLD-OALUTQOASA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245428867 275004399 /nfs/dbraw/zinc/00/43/99/275004399.db2.gz XSOCCUPCEBNOLD-OALUTQOASA-N 2 2 345.462 2.487 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000245422478 276213666 /nfs/dbraw/zinc/21/36/66/276213666.db2.gz IWFPDPBTHRZSRS-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000245422478 276213668 /nfs/dbraw/zinc/21/36/68/276213668.db2.gz IWFPDPBTHRZSRS-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000245422478 276213669 /nfs/dbraw/zinc/21/36/69/276213669.db2.gz IWFPDPBTHRZSRS-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000245422478 276213670 /nfs/dbraw/zinc/21/36/70/276213670.db2.gz IWFPDPBTHRZSRS-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC(C)c1nnc2n1CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]2C ZINC000192841460 278107788 /nfs/dbraw/zinc/10/77/88/278107788.db2.gz VLELHHMMAAIXDU-KRWDZBQOSA-N 2 2 348.539 2.194 10 0 EEAELP CC(C)c1nnc2n1CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]2C ZINC000192841460 278107790 /nfs/dbraw/zinc/10/77/90/278107790.db2.gz VLELHHMMAAIXDU-KRWDZBQOSA-N 2 2 348.539 2.194 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000343854651 288091580 /nfs/dbraw/zinc/09/15/80/288091580.db2.gz ACAVPHATSGIRLQ-FHLIZLRMSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000343854651 288091582 /nfs/dbraw/zinc/09/15/82/288091582.db2.gz ACAVPHATSGIRLQ-FHLIZLRMSA-N 2 2 337.895 2.253 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000358577441 279163476 /nfs/dbraw/zinc/16/34/76/279163476.db2.gz LQASTDDGIGNKKI-XJKSGUPXSA-N 2 2 345.447 2.242 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000358577441 279163478 /nfs/dbraw/zinc/16/34/78/279163478.db2.gz LQASTDDGIGNKKI-XJKSGUPXSA-N 2 2 345.447 2.242 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)CC2 ZINC000374667662 302322649 /nfs/dbraw/zinc/32/26/49/302322649.db2.gz YLMYQOZNUHNKFH-QGZVFWFLSA-N 2 2 341.459 2.328 10 0 EEAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@@H]3C)n2)C1 ZINC000333189753 312109238 /nfs/dbraw/zinc/10/92/38/312109238.db2.gz UQWBALFMPOAEQY-OLZOCXBDSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@@H]3C)n2)C1 ZINC000333189753 312109241 /nfs/dbraw/zinc/10/92/41/312109241.db2.gz UQWBALFMPOAEQY-OLZOCXBDSA-N 2 2 337.493 2.201 10 0 EEAELP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352814858 312386769 /nfs/dbraw/zinc/38/67/69/312386769.db2.gz IPEFDHRPEPLDJB-OAQYLSRUSA-N 2 2 341.499 2.453 10 0 EEAELP CN(CC1CC1)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352814858 312386771 /nfs/dbraw/zinc/38/67/71/312386771.db2.gz IPEFDHRPEPLDJB-OAQYLSRUSA-N 2 2 341.499 2.453 10 0 EEAELP CN(CC1CC1)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352814858 312386774 /nfs/dbraw/zinc/38/67/74/312386774.db2.gz IPEFDHRPEPLDJB-OAQYLSRUSA-N 2 2 341.499 2.453 10 0 EEAELP CN(CC1CC1)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352814858 312386776 /nfs/dbraw/zinc/38/67/76/312386776.db2.gz IPEFDHRPEPLDJB-OAQYLSRUSA-N 2 2 341.499 2.453 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000416896273 313352945 /nfs/dbraw/zinc/35/29/45/313352945.db2.gz VHXGYVSNZPZKOS-MJVIPROJSA-N 2 2 335.839 2.198 10 0 EEAELP [NH3+][C@@H](CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000416973880 313378834 /nfs/dbraw/zinc/37/88/34/313378834.db2.gz JYFFQKKTMAJUJR-KRWDZBQOSA-N 2 2 339.443 2.181 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418266826 313769895 /nfs/dbraw/zinc/76/98/95/313769895.db2.gz VVMDQRUCWVSTMC-HNNXBMFYSA-N 2 2 329.448 2.177 10 0 EEAELP FC(F)Oc1cc2c(cc1C[NH+]1CCC3(CC[NH2+]3)CC1)OCO2 ZINC000422563171 314282989 /nfs/dbraw/zinc/28/29/89/314282989.db2.gz SALPOIHGYZTCRQ-UHFFFAOYSA-N 2 2 326.343 2.345 10 0 EEAELP CC(C)[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000445523402 315357528 /nfs/dbraw/zinc/35/75/28/315357528.db2.gz ZUZHHTFMNTXMQG-MRXNPFEDSA-N 2 2 336.524 2.233 10 0 EEAELP C[NH+](C)C1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541466763 318099738 /nfs/dbraw/zinc/09/97/38/318099738.db2.gz RTIMWJXOIRNKCH-OAHLLOKOSA-N 2 2 330.476 2.266 10 0 EEAELP COc1ccsc1[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000547431626 318287718 /nfs/dbraw/zinc/28/77/18/318287718.db2.gz FVMONHHKZFAHEF-STQMWFEESA-N 2 2 348.472 2.332 10 0 EEAELP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000564779835 319108948 /nfs/dbraw/zinc/10/89/48/319108948.db2.gz OKDMQDZMBWKYSU-KRWDZBQOSA-N 2 2 345.491 2.175 10 0 EEAELP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000564779835 319108951 /nfs/dbraw/zinc/10/89/51/319108951.db2.gz OKDMQDZMBWKYSU-KRWDZBQOSA-N 2 2 345.491 2.175 10 0 EEAELP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCn4c[nH+]cc4C3)cccc21 ZINC000568716825 319511905 /nfs/dbraw/zinc/51/19/05/319511905.db2.gz OOQPUHJPPWZKSC-DYVFJYSZSA-N 2 2 340.427 2.469 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000578111064 320294774 /nfs/dbraw/zinc/29/47/74/320294774.db2.gz PMUPWOQLKWHODX-OXQOHEQNSA-N 2 2 343.471 2.338 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000578111064 320294776 /nfs/dbraw/zinc/29/47/76/320294776.db2.gz PMUPWOQLKWHODX-OXQOHEQNSA-N 2 2 343.471 2.338 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000580463147 324069591 /nfs/dbraw/zinc/06/95/91/324069591.db2.gz FYULKYLUZLLWGH-CQSZACIVSA-N 2 2 335.879 2.156 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000580463147 324069596 /nfs/dbraw/zinc/06/95/96/324069596.db2.gz FYULKYLUZLLWGH-CQSZACIVSA-N 2 2 335.879 2.156 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000580463147 324069601 /nfs/dbraw/zinc/06/96/01/324069601.db2.gz FYULKYLUZLLWGH-CQSZACIVSA-N 2 2 335.879 2.156 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000580463147 324069604 /nfs/dbraw/zinc/06/96/04/324069604.db2.gz FYULKYLUZLLWGH-CQSZACIVSA-N 2 2 335.879 2.156 10 0 EEAELP Cc1cc(NCC[NH2+]C[C@@H](O)COc2ccccc2)nc(C(C)C)[nH+]1 ZINC000629594314 450754190 /nfs/dbraw/zinc/75/41/90/450754190.db2.gz QOPAYMADUJRIJW-MRXNPFEDSA-N 2 2 344.459 2.350 10 0 EEAELP Cc1nc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631059945 451561414 /nfs/dbraw/zinc/56/14/14/451561414.db2.gz SHFLFCITNNCHKS-CYBMUJFWSA-N 2 2 326.448 2.028 10 0 EEAELP Cc1nc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631059945 451561421 /nfs/dbraw/zinc/56/14/21/451561421.db2.gz SHFLFCITNNCHKS-CYBMUJFWSA-N 2 2 326.448 2.028 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)[nH+]1 ZINC000631059945 451561428 /nfs/dbraw/zinc/56/14/28/451561428.db2.gz SHFLFCITNNCHKS-CYBMUJFWSA-N 2 2 326.448 2.028 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)[nH+]1 ZINC000631059945 451561430 /nfs/dbraw/zinc/56/14/30/451561430.db2.gz SHFLFCITNNCHKS-CYBMUJFWSA-N 2 2 326.448 2.028 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NCCCCNc2cccc[nH+]2)cn1 ZINC000339267861 465178255 /nfs/dbraw/zinc/17/82/55/465178255.db2.gz ATUGPMSWFRWZMJ-UHFFFAOYSA-N 2 2 327.432 2.160 10 0 EEAELP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000351661450 465278931 /nfs/dbraw/zinc/27/89/31/465278931.db2.gz LQNBHRPGKSELPE-QGZVFWFLSA-N 2 2 340.471 2.241 10 0 EEAELP Cn1nccc1-c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000351661450 465278932 /nfs/dbraw/zinc/27/89/32/465278932.db2.gz LQNBHRPGKSELPE-QGZVFWFLSA-N 2 2 340.471 2.241 10 0 EEAELP O=C(NCC[NH+]1CCCCC1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045194865 462567697 /nfs/dbraw/zinc/56/76/97/462567697.db2.gz DSBCJRBWBXIVKL-UHFFFAOYSA-N 2 2 335.839 2.273 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000089635530 462700327 /nfs/dbraw/zinc/70/03/27/462700327.db2.gz JUYZFSDHPXSOJT-XYJFISCASA-N 2 2 338.517 2.310 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000089635530 462700330 /nfs/dbraw/zinc/70/03/30/462700330.db2.gz JUYZFSDHPXSOJT-XYJFISCASA-N 2 2 338.517 2.310 10 0 EEAELP Cn1cc(C[NH2+]CCc2cn3c([nH+]2)CCCC3)c(-c2ccncc2)n1 ZINC000065594339 462805916 /nfs/dbraw/zinc/80/59/16/462805916.db2.gz WHIYYHCBAOUPIZ-UHFFFAOYSA-N 2 2 336.443 2.347 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000136644524 463250099 /nfs/dbraw/zinc/25/00/99/463250099.db2.gz ROFVTKOKLRWQSS-HNNXBMFYSA-N 2 2 345.491 2.011 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000069538540 463272985 /nfs/dbraw/zinc/27/29/85/463272985.db2.gz LMABOKFSYORPAK-AWEZNQCLSA-N 2 2 331.420 2.034 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069877656 463344211 /nfs/dbraw/zinc/34/42/11/463344211.db2.gz ZRZXDUDZZYEWSR-SJORKVTESA-N 2 2 326.444 2.352 10 0 EEAELP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000069877656 463344215 /nfs/dbraw/zinc/34/42/15/463344215.db2.gz ZRZXDUDZZYEWSR-SJORKVTESA-N 2 2 326.444 2.352 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000069901860 463349635 /nfs/dbraw/zinc/34/96/35/463349635.db2.gz RKMURSNGPDDATH-MRXNPFEDSA-N 2 2 342.443 2.301 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c[nH+]1 ZINC000105115295 463438578 /nfs/dbraw/zinc/43/85/78/463438578.db2.gz SFQXIYLUOMCSBX-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c[nH+]1 ZINC000105115295 463438581 /nfs/dbraw/zinc/43/85/81/463438581.db2.gz SFQXIYLUOMCSBX-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CC(C)n1cc[nH+]c1CN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863638 463480462 /nfs/dbraw/zinc/48/04/62/463480462.db2.gz CQQNFIUBBFXECP-UHFFFAOYSA-N 2 2 330.480 2.257 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000553342175 468361562 /nfs/dbraw/zinc/36/15/62/468361562.db2.gz MXTHZTFMYUEIPE-MRXNPFEDSA-N 2 2 330.476 2.420 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000553342175 468361567 /nfs/dbraw/zinc/36/15/67/468361567.db2.gz MXTHZTFMYUEIPE-MRXNPFEDSA-N 2 2 330.476 2.420 10 0 EEAELP C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875638 463484962 /nfs/dbraw/zinc/48/49/62/463484962.db2.gz MGDOQLDSVIBVDB-DOTOQJQBSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1ccc([C@@H](C[NH2+]C2CCN(C(N)=O)CC2)[NH+]2CCCC2)cc1 ZINC000124990395 463488368 /nfs/dbraw/zinc/48/83/68/463488368.db2.gz VYCKZNIWPUWAML-GOSISDBHSA-N 2 2 330.476 2.265 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000072271562 463492513 /nfs/dbraw/zinc/49/25/13/463492513.db2.gz TWCCJUCWFKAUOH-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000105915200 463496759 /nfs/dbraw/zinc/49/67/59/463496759.db2.gz MZQWKSOWJVMNDS-VHTFYLNKSA-N 2 2 343.515 2.427 10 0 EEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000105915200 463496769 /nfs/dbraw/zinc/49/67/69/463496769.db2.gz MZQWKSOWJVMNDS-VHTFYLNKSA-N 2 2 343.515 2.427 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107666758 463576951 /nfs/dbraw/zinc/57/69/51/463576951.db2.gz HAVUVEKWBKFANC-QGZVFWFLSA-N 2 2 339.443 2.358 10 0 EEAELP CC[N@@H+](Cc1nc(N(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000185268221 463791158 /nfs/dbraw/zinc/79/11/58/463791158.db2.gz BLBQBBMCIUGJCL-UHFFFAOYSA-N 2 2 344.463 2.269 10 0 EEAELP CC[N@H+](Cc1nc(N(C)C)no1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000185268221 463791163 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2.163 10 0 EEAELP COC(=O)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284179275 464104314 /nfs/dbraw/zinc/10/43/14/464104314.db2.gz RFRHZQPADLFIID-MOPGFXCFSA-N 2 2 346.471 2.163 10 0 EEAELP COC(=O)[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284179275 464104316 /nfs/dbraw/zinc/10/43/16/464104316.db2.gz RFRHZQPADLFIID-MOPGFXCFSA-N 2 2 346.471 2.163 10 0 EEAELP COC(=O)[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284179275 464104317 /nfs/dbraw/zinc/10/43/17/464104317.db2.gz RFRHZQPADLFIID-MOPGFXCFSA-N 2 2 346.471 2.163 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)[C@@H]1c1ccccc1 ZINC000180100389 464241625 /nfs/dbraw/zinc/24/16/25/464241625.db2.gz PEXVARDWQNILLW-XLIONFOSSA-N 2 2 334.423 2.438 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)Cc2cn3ccccc3[nH+]2)[C@@H]1c1ccccc1 ZINC000180100389 464241631 /nfs/dbraw/zinc/24/16/31/464241631.db2.gz PEXVARDWQNILLW-XLIONFOSSA-N 2 2 334.423 2.438 10 0 EEAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000173839269 464321033 /nfs/dbraw/zinc/32/10/33/464321033.db2.gz ZGAVWZVUWOATTF-OAHLLOKOSA-N 2 2 333.480 2.021 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000173839269 464321037 /nfs/dbraw/zinc/32/10/37/464321037.db2.gz ZGAVWZVUWOATTF-OAHLLOKOSA-N 2 2 333.480 2.021 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000180621516 464352059 /nfs/dbraw/zinc/35/20/59/464352059.db2.gz JUGFOZIJNLJFQE-GFCCVEGCSA-N 2 2 332.370 2.151 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000180621516 464352065 /nfs/dbraw/zinc/35/20/65/464352065.db2.gz JUGFOZIJNLJFQE-GFCCVEGCSA-N 2 2 332.370 2.151 10 0 EEAELP Cc1cc2c(ncnc2N2CC[NH+](CCn3cc[nH+]c3)CC2)s1 ZINC000189523759 464525062 /nfs/dbraw/zinc/52/50/62/464525062.db2.gz ALJLEBYSONLGLX-UHFFFAOYSA-N 2 2 328.445 2.018 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)Cc2cn3ccccc3[nH+]2)ccc1F ZINC000265357549 464529779 /nfs/dbraw/zinc/52/97/79/464529779.db2.gz ZAGVPJDCGQKSKE-UHFFFAOYSA-N 2 2 340.402 2.394 10 0 EEAELP CCOCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246388183 464578112 /nfs/dbraw/zinc/57/81/12/464578112.db2.gz JOKFFNRWOAZONN-PKOBYXMFSA-N 2 2 347.503 2.124 10 0 EEAELP CCOCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246388183 464578118 /nfs/dbraw/zinc/57/81/18/464578118.db2.gz JOKFFNRWOAZONN-PKOBYXMFSA-N 2 2 347.503 2.124 10 0 EEAELP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246388183 464578125 /nfs/dbraw/zinc/57/81/25/464578125.db2.gz JOKFFNRWOAZONN-PKOBYXMFSA-N 2 2 347.503 2.124 10 0 EEAELP CCOCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246388183 464578133 /nfs/dbraw/zinc/57/81/33/464578133.db2.gz JOKFFNRWOAZONN-PKOBYXMFSA-N 2 2 347.503 2.124 10 0 EEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246467187 464588379 /nfs/dbraw/zinc/58/83/79/464588379.db2.gz PRUJCHXJEAUQOP-UAGQMJEPSA-N 2 2 328.460 2.236 10 0 EEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246467187 464588383 /nfs/dbraw/zinc/58/83/83/464588383.db2.gz PRUJCHXJEAUQOP-UAGQMJEPSA-N 2 2 328.460 2.236 10 0 EEAELP COC(=O)c1coc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190485829 464657139 /nfs/dbraw/zinc/65/71/39/464657139.db2.gz UFTQZQXOJJURAL-MRXNPFEDSA-N 2 2 343.427 2.415 10 0 EEAELP COC(=O)c1coc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190485829 464657145 /nfs/dbraw/zinc/65/71/45/464657145.db2.gz UFTQZQXOJJURAL-MRXNPFEDSA-N 2 2 343.427 2.415 10 0 EEAELP COC(=O)c1coc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190485829 464657151 /nfs/dbraw/zinc/65/71/51/464657151.db2.gz UFTQZQXOJJURAL-MRXNPFEDSA-N 2 2 343.427 2.415 10 0 EEAELP CC1(C)C[N@@H+](C2(C[NH2+]C[C@H](O)C(F)(F)F)CCCCC2)CCO1 ZINC000579824324 468417809 /nfs/dbraw/zinc/41/78/09/468417809.db2.gz CMJPJJGGRYNKMD-ZDUSSCGKSA-N 2 2 338.414 2.313 10 0 EEAELP CC1(C)C[N@H+](C2(C[NH2+]C[C@H](O)C(F)(F)F)CCCCC2)CCO1 ZINC000579824324 468417814 /nfs/dbraw/zinc/41/78/14/468417814.db2.gz CMJPJJGGRYNKMD-ZDUSSCGKSA-N 2 2 338.414 2.313 10 0 EEAELP c1c[nH+]c(C2CCN(CC[NH+]3CCC(c4[nH]cc[nH+]4)CC3)CC2)[nH]1 ZINC000266793426 464824584 /nfs/dbraw/zinc/82/45/84/464824584.db2.gz XLIGFTCUEPYHAX-UHFFFAOYSA-N 3 2 328.464 2.192 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2cccc(CO)c2)nc[nH+]1 ZINC000183292563 464844722 /nfs/dbraw/zinc/84/47/22/464844722.db2.gz DSZDVQWPUCCMMJ-PBHICJAKSA-N 2 2 341.459 2.330 10 0 EEAELP CCn1cnnc1C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177144047 464942026 /nfs/dbraw/zinc/94/20/26/464942026.db2.gz QNRZPHICKRIABQ-UHFFFAOYSA-N 2 2 337.431 2.258 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192670431 464973692 /nfs/dbraw/zinc/97/36/92/464973692.db2.gz RDJNYXVJPSTQEY-OLZOCXBDSA-N 2 2 325.403 2.168 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000298231519 465337779 /nfs/dbraw/zinc/33/77/79/465337779.db2.gz WTEACFMEXXDXBP-INIZCTEOSA-N 2 2 327.432 2.101 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000298231519 465337784 /nfs/dbraw/zinc/33/77/84/465337784.db2.gz WTEACFMEXXDXBP-INIZCTEOSA-N 2 2 327.432 2.101 10 0 EEAELP CCc1cccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000337383166 465339157 /nfs/dbraw/zinc/33/91/57/465339157.db2.gz ZNJWOFUBFQUSMG-UHFFFAOYSA-N 2 2 331.504 2.276 10 0 EEAELP CCc1cccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000337383166 465339159 /nfs/dbraw/zinc/33/91/59/465339159.db2.gz ZNJWOFUBFQUSMG-UHFFFAOYSA-N 2 2 331.504 2.276 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)CC[N@H+](C)C1CC1 ZINC000348382195 465576666 /nfs/dbraw/zinc/57/66/66/465576666.db2.gz LWJQCZMRPBDKTG-CQSZACIVSA-N 2 2 341.459 2.430 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)CC[N@@H+](C)C1CC1 ZINC000348382195 465576670 /nfs/dbraw/zinc/57/66/70/465576670.db2.gz LWJQCZMRPBDKTG-CQSZACIVSA-N 2 2 341.459 2.430 10 0 EEAELP C[C@H](C[NH2+]Cc1cnc(-c2ccncc2)s1)C[NH+]1CCOCC1 ZINC000344513131 465630180 /nfs/dbraw/zinc/63/01/80/465630180.db2.gz BBJIUFQNKDGMLK-CQSZACIVSA-N 2 2 332.473 2.263 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000348663359 465733059 /nfs/dbraw/zinc/73/30/59/465733059.db2.gz SNLMDHDXFTWVGK-ZFWWWQNUSA-N 2 2 333.432 2.016 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000348663359 465733066 /nfs/dbraw/zinc/73/30/66/465733066.db2.gz SNLMDHDXFTWVGK-ZFWWWQNUSA-N 2 2 333.432 2.016 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000348663359 465733075 /nfs/dbraw/zinc/73/30/75/465733075.db2.gz SNLMDHDXFTWVGK-ZFWWWQNUSA-N 2 2 333.432 2.016 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000348663359 465733081 /nfs/dbraw/zinc/73/30/81/465733081.db2.gz SNLMDHDXFTWVGK-ZFWWWQNUSA-N 2 2 333.432 2.016 10 0 EEAELP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357328419 465952948 /nfs/dbraw/zinc/95/29/48/465952948.db2.gz AIKYZLVGMOPUKK-GOSISDBHSA-N 2 2 335.467 2.099 10 0 EEAELP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357328419 465952952 /nfs/dbraw/zinc/95/29/52/465952952.db2.gz AIKYZLVGMOPUKK-GOSISDBHSA-N 2 2 335.467 2.099 10 0 EEAELP Cc1cccnc1/C=C/C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371892779 466057352 /nfs/dbraw/zinc/05/73/52/466057352.db2.gz APROBCJQAXYCGM-IPLHWJFFSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cccnc1/C=C/C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371892779 466057362 /nfs/dbraw/zinc/05/73/62/466057362.db2.gz APROBCJQAXYCGM-IPLHWJFFSA-N 2 2 342.487 2.030 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000361519022 466067296 /nfs/dbraw/zinc/06/72/96/466067296.db2.gz MCGUIOXMRXIPIB-UHFFFAOYSA-N 2 2 346.475 2.003 10 0 EEAELP COCc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349383296 466092203 /nfs/dbraw/zinc/09/22/03/466092203.db2.gz LGGGXSUKZQZDER-SJPCQFCGSA-N 2 2 333.476 2.169 10 0 EEAELP COCc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349383296 466092217 /nfs/dbraw/zinc/09/22/17/466092217.db2.gz LGGGXSUKZQZDER-SJPCQFCGSA-N 2 2 333.476 2.169 10 0 EEAELP COCc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000349383296 466092226 /nfs/dbraw/zinc/09/22/26/466092226.db2.gz LGGGXSUKZQZDER-SJPCQFCGSA-N 2 2 333.476 2.169 10 0 EEAELP COCc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000349383296 466092235 /nfs/dbraw/zinc/09/22/35/466092235.db2.gz LGGGXSUKZQZDER-SJPCQFCGSA-N 2 2 333.476 2.169 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000367181878 466176632 /nfs/dbraw/zinc/17/66/32/466176632.db2.gz UIPIAMRJDZLZMA-IBGZPJMESA-N 2 2 338.455 2.272 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000367181878 466176637 /nfs/dbraw/zinc/17/66/37/466176637.db2.gz UIPIAMRJDZLZMA-IBGZPJMESA-N 2 2 338.455 2.272 10 0 EEAELP C[NH+]1CCC([N@H+](CCO)Cc2cnc(-c3ccccn3)s2)CC1 ZINC000305223377 466384088 /nfs/dbraw/zinc/38/40/88/466384088.db2.gz UTMSHBYHRYOENA-UHFFFAOYSA-N 2 2 332.473 2.094 10 0 EEAELP C[NH+]1CCC([N@@H+](CCO)Cc2cnc(-c3ccccn3)s2)CC1 ZINC000305223377 466384096 /nfs/dbraw/zinc/38/40/96/466384096.db2.gz UTMSHBYHRYOENA-UHFFFAOYSA-N 2 2 332.473 2.094 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000358014729 466388665 /nfs/dbraw/zinc/38/86/65/466388665.db2.gz CWFWBWLBEHDYGN-UZLBHIALSA-N 2 2 337.467 2.469 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000358014729 466388672 /nfs/dbraw/zinc/38/86/72/466388672.db2.gz CWFWBWLBEHDYGN-UZLBHIALSA-N 2 2 337.467 2.469 10 0 EEAELP CC[C@H](N[C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000361981875 466458468 /nfs/dbraw/zinc/45/84/68/466458468.db2.gz PJACDJLUILSOHQ-FFGOWVMKSA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000361981875 466458474 /nfs/dbraw/zinc/45/84/74/466458474.db2.gz PJACDJLUILSOHQ-FFGOWVMKSA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[NH+](C)C[C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000361981875 466458482 /nfs/dbraw/zinc/45/84/82/466458482.db2.gz PJACDJLUILSOHQ-FFGOWVMKSA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[NH+](C)C[C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000361981875 466458490 /nfs/dbraw/zinc/45/84/90/466458490.db2.gz PJACDJLUILSOHQ-FFGOWVMKSA-N 2 2 331.504 2.206 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NCc3c[nH+]cn3C)CC2)s1 ZINC000358112782 466467647 /nfs/dbraw/zinc/46/76/47/466467647.db2.gz BWTLMLZCJMSZRS-UHFFFAOYSA-N 2 2 347.488 2.071 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000358118229 466472136 /nfs/dbraw/zinc/47/21/36/466472136.db2.gz BFCCQQOAZHKCSA-OLMNPRSZSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000358118229 466472147 /nfs/dbraw/zinc/47/21/47/466472147.db2.gz BFCCQQOAZHKCSA-OLMNPRSZSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000367911959 466553794 /nfs/dbraw/zinc/55/37/94/466553794.db2.gz RDGQJFAKBPGNMW-YEWWUXTCSA-N 2 2 341.459 2.258 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000367911959 466553801 /nfs/dbraw/zinc/55/38/01/466553801.db2.gz RDGQJFAKBPGNMW-YEWWUXTCSA-N 2 2 341.459 2.258 10 0 EEAELP COc1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1O ZINC000423230106 466700566 /nfs/dbraw/zinc/70/05/66/466700566.db2.gz IPIMSJOGQIGLKZ-CYBMUJFWSA-N 2 2 328.416 2.379 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@H]3CCC4(CCOCC4)[C@H]3O)c[nH+]c12 ZINC000374701229 466718802 /nfs/dbraw/zinc/71/88/02/466718802.db2.gz LBEXHNVEDQHOHA-WBVHZDCISA-N 2 2 329.444 2.300 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)CC2 ZINC000373307772 466761462 /nfs/dbraw/zinc/76/14/62/466761462.db2.gz YHPFKUFBFNBABJ-INIZCTEOSA-N 2 2 333.480 2.085 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)CC2 ZINC000373307772 466761465 /nfs/dbraw/zinc/76/14/65/466761465.db2.gz YHPFKUFBFNBABJ-INIZCTEOSA-N 2 2 333.480 2.085 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000378079008 467193080 /nfs/dbraw/zinc/19/30/80/467193080.db2.gz MBDQDRQYEBOBOH-YOEHRIQHSA-N 2 2 333.480 2.077 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000378079008 467193082 /nfs/dbraw/zinc/19/30/82/467193082.db2.gz MBDQDRQYEBOBOH-YOEHRIQHSA-N 2 2 333.480 2.077 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000429027986 467294589 /nfs/dbraw/zinc/29/45/89/467294589.db2.gz FOLFMJDMSBEHFD-ICSRJNTNSA-N 2 2 327.472 2.208 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000429027986 467294594 /nfs/dbraw/zinc/29/45/94/467294594.db2.gz FOLFMJDMSBEHFD-ICSRJNTNSA-N 2 2 327.472 2.208 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000429027986 467294597 /nfs/dbraw/zinc/29/45/97/467294597.db2.gz FOLFMJDMSBEHFD-ICSRJNTNSA-N 2 2 327.472 2.208 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000429027986 467294601 /nfs/dbraw/zinc/29/46/01/467294601.db2.gz FOLFMJDMSBEHFD-ICSRJNTNSA-N 2 2 327.472 2.208 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429038843 467295339 /nfs/dbraw/zinc/29/53/39/467295339.db2.gz GNTJGFOOHPEWDH-FXAWDEMLSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429038843 467295345 /nfs/dbraw/zinc/29/53/45/467295345.db2.gz GNTJGFOOHPEWDH-FXAWDEMLSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429038843 467295352 /nfs/dbraw/zinc/29/53/52/467295352.db2.gz GNTJGFOOHPEWDH-FXAWDEMLSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429038843 467295355 /nfs/dbraw/zinc/29/53/55/467295355.db2.gz GNTJGFOOHPEWDH-FXAWDEMLSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1cc(NCCC[NH2+]Cc2cccnc2)nc(-c2cccnc2)[nH+]1 ZINC000420181359 467317141 /nfs/dbraw/zinc/31/71/41/467317141.db2.gz HUAFWZMGDSZKMC-UHFFFAOYSA-N 2 2 334.427 2.834 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420384623 467388652 /nfs/dbraw/zinc/38/86/52/467388652.db2.gz UIQNPTFGQWFNPL-AUUYWEPGSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420384623 467388655 /nfs/dbraw/zinc/38/86/55/467388655.db2.gz UIQNPTFGQWFNPL-AUUYWEPGSA-N 2 2 344.459 2.048 10 0 EEAELP OC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccsc1 ZINC000420913363 467511731 /nfs/dbraw/zinc/51/17/31/467511731.db2.gz ATTPPYODAMGCFM-SFHVURJKSA-N 2 2 332.469 2.404 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCS(C)(=O)=O)CC1 ZINC000449129820 467619973 /nfs/dbraw/zinc/61/99/73/467619973.db2.gz DQAAKSMZNOUEML-INIZCTEOSA-N 2 2 338.517 2.106 10 0 EEAELP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1O ZINC000449391389 467636410 /nfs/dbraw/zinc/63/64/10/467636410.db2.gz IEZXQWABBMTRHC-WBVHZDCISA-N 2 2 336.476 2.158 10 0 EEAELP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1O ZINC000449391389 467636412 /nfs/dbraw/zinc/63/64/12/467636412.db2.gz IEZXQWABBMTRHC-WBVHZDCISA-N 2 2 336.476 2.158 10 0 EEAELP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1O ZINC000449391388 467636576 /nfs/dbraw/zinc/63/65/76/467636576.db2.gz IEZXQWABBMTRHC-RDJZCZTQSA-N 2 2 336.476 2.158 10 0 EEAELP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1O ZINC000449391388 467636578 /nfs/dbraw/zinc/63/65/78/467636578.db2.gz IEZXQWABBMTRHC-RDJZCZTQSA-N 2 2 336.476 2.158 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000449966274 467751991 /nfs/dbraw/zinc/75/19/91/467751991.db2.gz PPMKHXXXCGHHJD-ZIAGYGMSSA-N 2 2 347.425 2.251 10 0 EEAELP Cn1c[nH+]cc1CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459340873 467954414 /nfs/dbraw/zinc/95/44/14/467954414.db2.gz JILRVHSZAYUEPI-UHFFFAOYSA-N 4 2 347.551 2.091 10 0 EEAELP Cn1c[nH+]cc1CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459340873 467954418 /nfs/dbraw/zinc/95/44/18/467954418.db2.gz JILRVHSZAYUEPI-UHFFFAOYSA-N 4 2 347.551 2.091 10 0 EEAELP Cn1cncc1CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459340873 467954420 /nfs/dbraw/zinc/95/44/20/467954420.db2.gz JILRVHSZAYUEPI-UHFFFAOYSA-N 3 2 347.551 2.091 10 0 EEAELP Cn1cncc1CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459340873 467954424 /nfs/dbraw/zinc/95/44/24/467954424.db2.gz JILRVHSZAYUEPI-UHFFFAOYSA-N 3 2 347.551 2.091 10 0 EEAELP Brc1ccc2[nH+]cc(CN[C@H]3CC[NH2+]C34CCC4)n2c1 ZINC000530179768 467958899 /nfs/dbraw/zinc/95/88/99/467958899.db2.gz XAVSEFWDHRCXTJ-ZDUSSCGKSA-N 2 2 335.249 2.471 10 0 EEAELP Brc1ccc2ncc(C[NH2+][C@H]3CC[NH2+]C34CCC4)n2c1 ZINC000530179768 467958900 /nfs/dbraw/zinc/95/89/00/467958900.db2.gz XAVSEFWDHRCXTJ-ZDUSSCGKSA-N 2 2 335.249 2.471 10 0 EEAELP CC(C)CCc1noc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000530242488 467967729 /nfs/dbraw/zinc/96/77/29/467967729.db2.gz TWFFNFSGGUVDLC-MRXNPFEDSA-N 2 2 336.480 2.249 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000530389020 467980610 /nfs/dbraw/zinc/98/06/10/467980610.db2.gz LYCCVIFTAYAZHE-ROUUACIJSA-N 2 2 340.427 2.146 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000530389020 467980613 /nfs/dbraw/zinc/98/06/13/467980613.db2.gz LYCCVIFTAYAZHE-ROUUACIJSA-N 2 2 340.427 2.146 10 0 EEAELP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000578545283 468215821 /nfs/dbraw/zinc/21/58/21/468215821.db2.gz LNWFIWVUFRIETI-SFHVURJKSA-N 2 2 348.487 2.267 10 0 EEAELP C[C@H]1COCC[N@H+]1C1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000578545283 468215827 /nfs/dbraw/zinc/21/58/27/468215827.db2.gz LNWFIWVUFRIETI-SFHVURJKSA-N 2 2 348.487 2.267 10 0 EEAELP C[NH+](C)Cc1ccc(NC(=O)Cn2cc[nH+]c2)cc1Br ZINC000569657731 468522311 /nfs/dbraw/zinc/52/23/11/468522311.db2.gz SZQPWMJDWXVEKU-UHFFFAOYSA-N 2 2 337.221 2.346 10 0 EEAELP COc1ccc([C@H](CNC(=O)C[NH+]2CC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000557428433 468630149 /nfs/dbraw/zinc/63/01/49/468630149.db2.gz QZJAMMXWEUHCTI-SFHVURJKSA-N 2 2 345.487 2.290 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1F ZINC000583283835 468673411 /nfs/dbraw/zinc/67/34/11/468673411.db2.gz FAAYXMRSQLCBTG-XJKSGUPXSA-N 2 2 330.407 2.401 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571044370 468732364 /nfs/dbraw/zinc/73/23/64/468732364.db2.gz QYEZIYNSVXJEAF-GDJRKYJOSA-N 2 2 339.842 2.339 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571044370 468732370 /nfs/dbraw/zinc/73/23/70/468732370.db2.gz QYEZIYNSVXJEAF-GDJRKYJOSA-N 2 2 339.842 2.339 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1C ZINC000601333130 468829532 /nfs/dbraw/zinc/82/95/32/468829532.db2.gz ARWMSVPXKWQCDY-WBVHZDCISA-N 2 2 344.459 2.025 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1C ZINC000601333130 468829535 /nfs/dbraw/zinc/82/95/35/468829535.db2.gz ARWMSVPXKWQCDY-WBVHZDCISA-N 2 2 344.459 2.025 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1C ZINC000601334976 468830521 /nfs/dbraw/zinc/83/05/21/468830521.db2.gz PMFPTEIDEAMIOS-NVXWUHKLSA-N 2 2 344.459 2.025 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1C ZINC000601334976 468830524 /nfs/dbraw/zinc/83/05/24/468830524.db2.gz PMFPTEIDEAMIOS-NVXWUHKLSA-N 2 2 344.459 2.025 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588963618 469185037 /nfs/dbraw/zinc/18/50/37/469185037.db2.gz CQCCWOMUYNRPRU-OAHLLOKOSA-N 2 2 333.480 2.283 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588963618 469185044 /nfs/dbraw/zinc/18/50/44/469185044.db2.gz CQCCWOMUYNRPRU-OAHLLOKOSA-N 2 2 333.480 2.283 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000615909430 469338017 /nfs/dbraw/zinc/33/80/17/469338017.db2.gz IRZUXOHNIZDIOB-UHFFFAOYSA-N 2 2 333.480 2.181 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000618655872 469415018 /nfs/dbraw/zinc/41/50/18/469415018.db2.gz LGOUKSQXXSLBCJ-OAHLLOKOSA-N 2 2 330.476 2.285 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618655872 469415022 /nfs/dbraw/zinc/41/50/22/469415022.db2.gz LGOUKSQXXSLBCJ-OAHLLOKOSA-N 2 2 330.476 2.285 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000625985893 469458416 /nfs/dbraw/zinc/45/84/16/469458416.db2.gz LZPGVHSKTMBMGD-MSOLQXFVSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000625985893 469458417 /nfs/dbraw/zinc/45/84/17/469458417.db2.gz LZPGVHSKTMBMGD-MSOLQXFVSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000625985893 469458418 /nfs/dbraw/zinc/45/84/18/469458418.db2.gz LZPGVHSKTMBMGD-MSOLQXFVSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000625985893 469458419 /nfs/dbraw/zinc/45/84/19/469458419.db2.gz LZPGVHSKTMBMGD-MSOLQXFVSA-N 2 2 338.467 2.333 10 0 EEAELP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1cccc(Cl)c1 ZINC000629521701 469571977 /nfs/dbraw/zinc/57/19/77/469571977.db2.gz RJURBPBZNMUPRF-LBPRGKRZSA-N 2 2 349.866 2.388 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1Cl ZINC000629584422 469584800 /nfs/dbraw/zinc/58/48/00/469584800.db2.gz QTBBBLSUYRJGII-DOPJRALCSA-N 2 2 335.879 2.449 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1Cl ZINC000629584422 469584803 /nfs/dbraw/zinc/58/48/03/469584803.db2.gz QTBBBLSUYRJGII-DOPJRALCSA-N 2 2 335.879 2.449 10 0 EEAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000619771154 469679026 /nfs/dbraw/zinc/67/90/26/469679026.db2.gz ROEMXMVICFNUJE-KGLIPLIRSA-N 2 2 335.448 2.105 10 0 EEAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000619771154 469679028 /nfs/dbraw/zinc/67/90/28/469679028.db2.gz ROEMXMVICFNUJE-KGLIPLIRSA-N 2 2 335.448 2.105 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCCC34CC4)CC2)CC1 ZINC000623564493 469695464 /nfs/dbraw/zinc/69/54/64/469695464.db2.gz FOGDHQYAJHGWNE-INIZCTEOSA-N 2 2 348.535 2.425 10 0 EEAELP Clc1ccc(N2CCO[C@@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000623655204 469724190 /nfs/dbraw/zinc/72/41/90/469724190.db2.gz REIWBQSFULLEHZ-KRWDZBQOSA-N 2 2 346.862 2.478 10 0 EEAELP COc1cc(Cl)c(F)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617762806 469795044 /nfs/dbraw/zinc/79/50/44/469795044.db2.gz ZFUBURVSZDYEIU-UHFFFAOYSA-N 2 2 345.846 2.101 10 0 EEAELP COc1cc(Cl)c(F)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617762806 469795047 /nfs/dbraw/zinc/79/50/47/469795047.db2.gz ZFUBURVSZDYEIU-UHFFFAOYSA-N 2 2 345.846 2.101 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000617764970 469795918 /nfs/dbraw/zinc/79/59/18/469795918.db2.gz OKZNYFJDPYJKJP-MRXNPFEDSA-N 2 2 337.895 2.370 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCc2c1cccc2Cl ZINC000617764970 469795921 /nfs/dbraw/zinc/79/59/21/469795921.db2.gz OKZNYFJDPYJKJP-MRXNPFEDSA-N 2 2 337.895 2.370 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(-n2cccc2)c1 ZINC000617768497 469798422 /nfs/dbraw/zinc/79/84/22/469798422.db2.gz GNTSDGXLOFJCTR-UHFFFAOYSA-N 2 2 328.460 2.091 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(-n2cccc2)c1 ZINC000617768497 469798425 /nfs/dbraw/zinc/79/84/25/469798425.db2.gz GNTSDGXLOFJCTR-UHFFFAOYSA-N 2 2 328.460 2.091 10 0 EEAELP Cc1c2cccc(F)c2oc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768572 469799341 /nfs/dbraw/zinc/79/93/41/469799341.db2.gz KAXSYKFZGSVJCU-UHFFFAOYSA-N 2 2 335.423 2.494 10 0 EEAELP Cc1c2cccc(F)c2oc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768572 469799342 /nfs/dbraw/zinc/79/93/42/469799342.db2.gz KAXSYKFZGSVJCU-UHFFFAOYSA-N 2 2 335.423 2.494 10 0 EEAELP O=C(NCCn1cc[nH+]c1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000624075548 469832985 /nfs/dbraw/zinc/83/29/85/469832985.db2.gz KUZHZQNOJYGJJH-RBUKOAKNSA-N 2 2 338.455 2.158 10 0 EEAELP O=C(NCCn1cc[nH+]c1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000624075548 469832990 /nfs/dbraw/zinc/83/29/90/469832990.db2.gz KUZHZQNOJYGJJH-RBUKOAKNSA-N 2 2 338.455 2.158 10 0 EEAELP C[C@@H]1C[N@@H+](CCN(C)c2nc3ccccc3n3c[nH+]cc23)C[C@H](C)O1 ZINC000624168044 469862863 /nfs/dbraw/zinc/86/28/63/469862863.db2.gz VETRYOKMUCBYPF-GASCZTMLSA-N 2 2 339.443 2.428 10 0 EEAELP C[C@@H]1C[N@H+](CCN(C)c2nc3ccccc3n3c[nH+]cc23)C[C@H](C)O1 ZINC000624168044 469862870 /nfs/dbraw/zinc/86/28/70/469862870.db2.gz VETRYOKMUCBYPF-GASCZTMLSA-N 2 2 339.443 2.428 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624171896 469863452 /nfs/dbraw/zinc/86/34/52/469863452.db2.gz DUASALCZTWATFZ-HLLBOEOZSA-N 2 2 332.492 2.238 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624171896 469863459 /nfs/dbraw/zinc/86/34/59/469863459.db2.gz DUASALCZTWATFZ-HLLBOEOZSA-N 2 2 332.492 2.238 10 0 EEAELP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)O1 ZINC000631175057 470086560 /nfs/dbraw/zinc/08/65/60/470086560.db2.gz RLHYOSFGHHKBAF-YLJYHZDGSA-N 2 2 348.487 2.445 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)CC2 ZINC000625190636 470092674 /nfs/dbraw/zinc/09/26/74/470092674.db2.gz CDVPXYBNIRLMMF-IAGOWNOFSA-N 2 2 330.476 2.231 10 0 EEAELP Cc1ccc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)c(N2CCCC2)[nH+]1 ZINC000621949102 470135418 /nfs/dbraw/zinc/13/54/18/470135418.db2.gz WOVIRJDJADSELX-UHFFFAOYSA-N 2 2 327.432 2.307 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000631469919 470148266 /nfs/dbraw/zinc/14/82/66/470148266.db2.gz VJPQQGZLYSTPLK-CRAIPNDOSA-N 2 2 326.444 2.356 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000631469919 470148269 /nfs/dbraw/zinc/14/82/69/470148269.db2.gz VJPQQGZLYSTPLK-CRAIPNDOSA-N 2 2 326.444 2.356 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632019825 470196533 /nfs/dbraw/zinc/19/65/33/470196533.db2.gz IYKROZFIPLVODZ-UHFFFAOYSA-N 2 2 337.427 2.468 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721979 470286555 /nfs/dbraw/zinc/28/65/55/470286555.db2.gz IAZAMEZWVHRZRQ-WMQCIHAUSA-N 2 2 340.467 2.335 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721979 470286557 /nfs/dbraw/zinc/28/65/57/470286557.db2.gz IAZAMEZWVHRZRQ-WMQCIHAUSA-N 2 2 340.467 2.335 10 0 EEAELP O=C(CC[N@@H+]1CCC12CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000649656466 470655136 /nfs/dbraw/zinc/65/51/36/470655136.db2.gz OJTUVAYUWNTWBH-UHFFFAOYSA-N 2 2 328.460 2.139 10 0 EEAELP O=C(CC[N@H+]1CCC12CCCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000649656466 470655141 /nfs/dbraw/zinc/65/51/41/470655141.db2.gz OJTUVAYUWNTWBH-UHFFFAOYSA-N 2 2 328.460 2.139 10 0 EEAELP Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1OCC[NH+](C)C ZINC000636019312 470849083 /nfs/dbraw/zinc/84/90/83/470849083.db2.gz GANRXCHIQHLCHK-HUUCEWRRSA-N 2 2 328.416 2.401 10 0 EEAELP Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1OCC[NH+](C)C ZINC000636019312 470849086 /nfs/dbraw/zinc/84/90/86/470849086.db2.gz GANRXCHIQHLCHK-HUUCEWRRSA-N 2 2 328.416 2.401 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000650704477 470944609 /nfs/dbraw/zinc/94/46/09/470944609.db2.gz AFCZRDPBOCPZNX-UHFFFAOYSA-N 2 2 343.475 2.085 10 0 EEAELP C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000644548245 470980024 /nfs/dbraw/zinc/98/00/24/470980024.db2.gz WVMUCNAKPHEYKE-IAOVAPTHSA-N 2 2 326.868 2.462 10 0 EEAELP C[C@H](OC[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000644548245 470980029 /nfs/dbraw/zinc/98/00/29/470980029.db2.gz WVMUCNAKPHEYKE-IAOVAPTHSA-N 2 2 326.868 2.462 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901190 471012026 /nfs/dbraw/zinc/01/20/26/471012026.db2.gz KONSWUGZZHATSX-QRQLOZEOSA-N 2 2 329.488 2.198 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901190 471012029 /nfs/dbraw/zinc/01/20/29/471012029.db2.gz KONSWUGZZHATSX-QRQLOZEOSA-N 2 2 329.488 2.198 10 0 EEAELP OC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(Br)c1 ZINC000657398373 471124804 /nfs/dbraw/zinc/12/48/04/471124804.db2.gz BYQIOTWHALNOJP-AWEZNQCLSA-N 2 2 336.233 2.415 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000651447214 471173274 /nfs/dbraw/zinc/17/32/74/471173274.db2.gz ZJLZGTSQAJMIPW-UHFFFAOYSA-N 2 2 330.476 2.285 10 0 EEAELP CN(C(=O)NCCC1(C[NH3+])CC1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000652233572 471259916 /nfs/dbraw/zinc/25/99/16/471259916.db2.gz AOAOSXJNXBKVAY-HNNXBMFYSA-N 2 2 327.432 2.270 10 0 EEAELP COCc1nnc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000658158366 471273797 /nfs/dbraw/zinc/27/37/97/471273797.db2.gz ZAKBQFPTWQEGBN-UHFFFAOYSA-N 2 2 343.475 2.484 10 0 EEAELP COCc1nnc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000658158366 471273799 /nfs/dbraw/zinc/27/37/99/471273799.db2.gz ZAKBQFPTWQEGBN-UHFFFAOYSA-N 2 2 343.475 2.484 10 0 EEAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658343347 471291060 /nfs/dbraw/zinc/29/10/60/471291060.db2.gz QOJLUJUGKBKHGN-AZUAARDMSA-N 2 2 341.503 2.068 10 0 EEAELP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658343347 471291062 /nfs/dbraw/zinc/29/10/62/471291062.db2.gz QOJLUJUGKBKHGN-AZUAARDMSA-N 2 2 341.503 2.068 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000666487392 471419929 /nfs/dbraw/zinc/41/99/29/471419929.db2.gz RZEHHKCTWHVOOW-UHFFFAOYSA-N 2 2 345.447 2.347 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(-c2ncco2)cc1 ZINC000666487392 471419935 /nfs/dbraw/zinc/41/99/35/471419935.db2.gz RZEHHKCTWHVOOW-UHFFFAOYSA-N 2 2 345.447 2.347 10 0 EEAELP C[C@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)CS(C)(=O)=O ZINC000660854899 471520106 /nfs/dbraw/zinc/52/01/06/471520106.db2.gz GQNKEAVEOINZHZ-CQSZACIVSA-N 2 2 349.500 2.498 10 0 EEAELP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000653727330 471724118 /nfs/dbraw/zinc/72/41/18/471724118.db2.gz VMSYCTCZAMKIHJ-UHFFFAOYSA-N 2 2 342.386 2.333 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661510124 471783947 /nfs/dbraw/zinc/78/39/47/471783947.db2.gz STRDKXJJHHPVQB-MRXNPFEDSA-N 2 2 345.491 2.094 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661510124 471783951 /nfs/dbraw/zinc/78/39/51/471783951.db2.gz STRDKXJJHHPVQB-MRXNPFEDSA-N 2 2 345.491 2.094 10 0 EEAELP Cc1ccc2c(c1)[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](C)C2 ZINC000664612893 471809997 /nfs/dbraw/zinc/80/99/97/471809997.db2.gz CQJDEVVELMDARQ-APWZRJJASA-N 2 2 346.519 2.411 10 0 EEAELP Cc1ccc2c(c1)[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](C)C2 ZINC000664612893 471810001 /nfs/dbraw/zinc/81/00/01/471810001.db2.gz CQJDEVVELMDARQ-APWZRJJASA-N 2 2 346.519 2.411 10 0 EEAELP Cc1ccc2cc(C[NH+]3CCN(C(=O)C[NH+]4CCCC4)CC3)[nH]c2c1 ZINC000667593087 471835310 /nfs/dbraw/zinc/83/53/10/471835310.db2.gz PJGQWNVLLYTBNV-UHFFFAOYSA-N 2 2 340.471 2.216 10 0 EEAELP Cn1ncc(C2CCC2)c1CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000656769958 471836989 /nfs/dbraw/zinc/83/69/89/471836989.db2.gz LDFILDLBVICBNW-UHFFFAOYSA-N 2 2 340.475 2.447 10 0 EEAELP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cn(C4CCC4)nn3)[nH+]c2)C1 ZINC000656770897 471837214 /nfs/dbraw/zinc/83/72/14/471837214.db2.gz WJGPWPKOPRWHNQ-QGZVFWFLSA-N 2 2 341.463 2.151 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000665535170 472080278 /nfs/dbraw/zinc/08/02/78/472080278.db2.gz MPCPRMUNWSQZNJ-SUMWQHHRSA-N 2 2 330.407 2.073 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000665535170 472080284 /nfs/dbraw/zinc/08/02/84/472080284.db2.gz MPCPRMUNWSQZNJ-SUMWQHHRSA-N 2 2 330.407 2.073 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000662506858 472132844 /nfs/dbraw/zinc/13/28/44/472132844.db2.gz GNLJUJHYSRACMP-MSQAHXEGSA-N 2 2 339.842 2.468 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000662506858 472132848 /nfs/dbraw/zinc/13/28/48/472132848.db2.gz GNLJUJHYSRACMP-MSQAHXEGSA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662536937 472144575 /nfs/dbraw/zinc/14/45/75/472144575.db2.gz UZWSDCQMPMTBLN-WMLDXEAASA-N 2 2 343.393 2.353 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C[NH2+]C(C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662536937 472144580 /nfs/dbraw/zinc/14/45/80/472144580.db2.gz UZWSDCQMPMTBLN-WMLDXEAASA-N 2 2 343.393 2.353 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)c3cc(C(C)(C)[NH3+])no3)CC2)c1 ZINC000662664592 472194774 /nfs/dbraw/zinc/19/47/74/472194774.db2.gz STTNGRCSTJDAIO-UHFFFAOYSA-N 2 2 342.443 2.135 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662711741 472218263 /nfs/dbraw/zinc/21/82/63/472218263.db2.gz NWDZYDADLRMBSE-HSMVNMDESA-N 2 2 325.403 2.344 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccnc2)CCO1 ZINC000668786191 472267109 /nfs/dbraw/zinc/26/71/09/472267109.db2.gz WUNHXXZPEZNJIQ-KRWDZBQOSA-N 2 2 329.448 2.014 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)CCO1 ZINC000668786191 472267116 /nfs/dbraw/zinc/26/71/16/472267116.db2.gz WUNHXXZPEZNJIQ-KRWDZBQOSA-N 2 2 329.448 2.014 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673761534 485523191 /nfs/dbraw/zinc/52/31/91/485523191.db2.gz AWEYBFDGBATMHH-INIZCTEOSA-N 2 2 345.447 2.299 10 0 EEAELP Cc1cccn2cc(CCNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000673778901 485528748 /nfs/dbraw/zinc/52/87/48/485528748.db2.gz GNYZGGOVEVZNIT-DOTOQJQBSA-N 2 2 343.475 2.309 10 0 EEAELP Cc1cccn2cc(CCNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000673778901 485528757 /nfs/dbraw/zinc/52/87/57/485528757.db2.gz GNYZGGOVEVZNIT-DOTOQJQBSA-N 2 2 343.475 2.309 10 0 EEAELP Cc1ccc(C[C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000664182965 485600347 /nfs/dbraw/zinc/60/03/47/485600347.db2.gz KQIIDHVGGZLRHW-AWEZNQCLSA-N 2 2 340.537 2.170 10 0 EEAELP Cc1ccc(C[C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664182965 485600352 /nfs/dbraw/zinc/60/03/52/485600352.db2.gz KQIIDHVGGZLRHW-AWEZNQCLSA-N 2 2 340.537 2.170 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674383545 485718947 /nfs/dbraw/zinc/71/89/47/485718947.db2.gz KLYLYMVXFPJDFV-UHFFFAOYSA-N 2 2 337.387 2.402 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674383545 485718955 /nfs/dbraw/zinc/71/89/55/485718955.db2.gz KLYLYMVXFPJDFV-UHFFFAOYSA-N 2 2 337.387 2.402 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000629570551 485735672 /nfs/dbraw/zinc/73/56/72/485735672.db2.gz DGSQUBDUZLREJQ-UHFFFAOYSA-N 2 2 346.450 2.168 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000629570551 485735682 /nfs/dbraw/zinc/73/56/82/485735682.db2.gz DGSQUBDUZLREJQ-UHFFFAOYSA-N 2 2 346.450 2.168 10 0 EEAELP C[C@@H]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000679762124 485808324 /nfs/dbraw/zinc/80/83/24/485808324.db2.gz OUHZJGYPIUWMIN-MBOZVWFJSA-N 2 2 348.535 2.377 10 0 EEAELP C[C@@H]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000679762124 485808327 /nfs/dbraw/zinc/80/83/27/485808327.db2.gz OUHZJGYPIUWMIN-MBOZVWFJSA-N 2 2 348.535 2.377 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)nc1 ZINC000684428290 485880791 /nfs/dbraw/zinc/88/07/91/485880791.db2.gz KEIYABTUOUQELF-UHFFFAOYSA-N 2 2 328.416 2.206 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C(F)(F)F)OC[C@H]2C)CC1 ZINC000671710246 485980043 /nfs/dbraw/zinc/98/00/43/485980043.db2.gz ZPODKUWONBFRRU-CABCVRRESA-N 2 2 337.430 2.054 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C(F)(F)F)OC[C@H]2C)CC1 ZINC000671710246 485980048 /nfs/dbraw/zinc/98/00/48/485980048.db2.gz ZPODKUWONBFRRU-CABCVRRESA-N 2 2 337.430 2.054 10 0 EEAELP Cc1ccc(N2CCC(c3nc(Cc4c[nH+]cn4C)no3)CC2)[nH+]c1 ZINC000680808180 486052109 /nfs/dbraw/zinc/05/21/09/486052109.db2.gz VQRWSNULNZEZAI-UHFFFAOYSA-N 2 2 338.415 2.481 10 0 EEAELP COc1cccc(COC[C@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000676705241 486286142 /nfs/dbraw/zinc/28/61/42/486286142.db2.gz MECFLZCSDDUPMK-QGZVFWFLSA-N 2 2 345.443 2.175 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000677940732 486529756 /nfs/dbraw/zinc/52/97/56/486529756.db2.gz YIKLXGSUDPFNSR-BRWVUGGUSA-N 2 2 337.414 2.311 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000677940732 486529760 /nfs/dbraw/zinc/52/97/60/486529760.db2.gz YIKLXGSUDPFNSR-BRWVUGGUSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000677940732 486529766 /nfs/dbraw/zinc/52/97/66/486529766.db2.gz YIKLXGSUDPFNSR-BRWVUGGUSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000677940732 486529770 /nfs/dbraw/zinc/52/97/70/486529770.db2.gz YIKLXGSUDPFNSR-BRWVUGGUSA-N 2 2 337.414 2.311 10 0 EEAELP C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000551986181 490626023 /nfs/dbraw/zinc/62/60/23/490626023.db2.gz WBOGYTORDZRWQH-XEZPLFJOSA-N 2 2 328.416 2.418 10 0 EEAELP [NH3+]Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000415966553 534693701 /nfs/dbraw/zinc/69/37/01/534693701.db2.gz ADKYTCJXFCTJMN-UHFFFAOYSA-N 2 2 325.416 2.331 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)cc1OC(F)F ZINC000422814002 536896828 /nfs/dbraw/zinc/89/68/28/536896828.db2.gz SWFDSGKCTNQDAM-AAEUAGOBSA-N 2 2 330.375 2.153 10 0 EEAELP CCOC(=O)c1cnn(C[NH+]2CCC(C[NH+](C)C)CC2)c1C(F)F ZINC000738076177 577998580 /nfs/dbraw/zinc/99/85/80/577998580.db2.gz JSDDQJNIOHQVFQ-UHFFFAOYSA-N 2 2 344.406 2.229 10 0 EEAELP C[N@H+](CC(=O)O[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000774095782 577383137 /nfs/dbraw/zinc/38/31/37/577383137.db2.gz QFTFMHIYRRVCGE-IRXDYDNUSA-N 2 2 334.485 2.241 10 0 EEAELP C[N@@H+](CC(=O)O[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000774095782 577383139 /nfs/dbraw/zinc/38/31/39/577383139.db2.gz QFTFMHIYRRVCGE-IRXDYDNUSA-N 2 2 334.485 2.241 10 0 EEAELP C[NH+](CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000774095782 577383142 /nfs/dbraw/zinc/38/31/42/577383142.db2.gz QFTFMHIYRRVCGE-IRXDYDNUSA-N 2 2 334.485 2.241 10 0 EEAELP C[NH+](CC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000774095782 577383143 /nfs/dbraw/zinc/38/31/43/577383143.db2.gz QFTFMHIYRRVCGE-IRXDYDNUSA-N 2 2 334.485 2.241 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOCC[C@H]2C)CC1 ZINC000775568038 577439657 /nfs/dbraw/zinc/43/96/57/577439657.db2.gz PLOIHDGIQANWJX-QZTJIDSGSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOCC[C@H]2C)CC1 ZINC000775568038 577439658 /nfs/dbraw/zinc/43/96/58/577439658.db2.gz PLOIHDGIQANWJX-QZTJIDSGSA-N 2 2 345.487 2.003 10 0 EEAELP Cc1cc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)ccc1-n1cncn1 ZINC000742369487 577871909 /nfs/dbraw/zinc/87/19/09/577871909.db2.gz YIHKAJHUGUOYRW-UHFFFAOYSA-N 2 2 345.410 2.446 10 0 EEAELP Cc1cc(C)c2c(n1)sn(C[NH+]1CCC(C[NH+](C)C)CC1)c2=O ZINC000743366275 577884060 /nfs/dbraw/zinc/88/40/60/577884060.db2.gz XPOBJYGSZUDJFT-UHFFFAOYSA-N 2 2 334.489 2.306 10 0 EEAELP [NH3+][C@@H]1CC[C@H](C[NH2+]N2CCO[C@@H](c3c(F)cccc3Cl)C2)C1 ZINC000926170569 676669931 /nfs/dbraw/zinc/66/99/31/676669931.db2.gz LGUMINFCVSBAIN-YWPYICTPSA-N 2 2 327.831 2.484 10 0 EEAELP CN(C(=O)c1ccn2ccccc12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896988013 686036979 /nfs/dbraw/zinc/03/69/79/686036979.db2.gz IOJWAYARFVKBMV-QGZVFWFLSA-N 2 2 340.471 2.180 10 0 EEAELP CN(C(=O)c1ccn2ccccc12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896988013 686036981 /nfs/dbraw/zinc/03/69/81/686036981.db2.gz IOJWAYARFVKBMV-QGZVFWFLSA-N 2 2 340.471 2.180 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000898502033 693350918 /nfs/dbraw/zinc/35/09/18/693350918.db2.gz LCXKJHMJQPNIQB-GOSISDBHSA-N 2 2 333.451 2.446 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000898502033 693350923 /nfs/dbraw/zinc/35/09/23/693350923.db2.gz LCXKJHMJQPNIQB-GOSISDBHSA-N 2 2 333.451 2.446 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1CCC2(CC2)CC1 ZINC001480885290 1176879914 /nfs/dbraw/zinc/87/99/14/1176879914.db2.gz VWTBYDPOMDNNMF-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1CCC2(CC2)CC1 ZINC001480885290 1176879922 /nfs/dbraw/zinc/87/99/22/1176879922.db2.gz VWTBYDPOMDNNMF-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266602264 1176927928 /nfs/dbraw/zinc/92/79/28/1176927928.db2.gz ZJKYREIPBHNGRR-YPHDOGSUSA-N 2 2 330.476 2.429 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001480894109 1177639692 /nfs/dbraw/zinc/63/96/92/1177639692.db2.gz MQNVLKKLYMEXCX-UHFFFAOYSA-N 2 2 339.443 2.082 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001480894109 1177639696 /nfs/dbraw/zinc/63/96/96/1177639696.db2.gz MQNVLKKLYMEXCX-UHFFFAOYSA-N 2 2 339.443 2.082 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001266869495 1177642851 /nfs/dbraw/zinc/64/28/51/1177642851.db2.gz AVJBSKJQNAMAKD-CQSZACIVSA-N 2 2 332.423 2.306 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001266869495 1177642853 /nfs/dbraw/zinc/64/28/53/1177642853.db2.gz AVJBSKJQNAMAKD-CQSZACIVSA-N 2 2 332.423 2.306 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266900983 1177756764 /nfs/dbraw/zinc/75/67/64/1177756764.db2.gz BCEABQMLJBQGDB-VUIJXICVSA-N 2 2 342.487 2.165 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266900983 1177756767 /nfs/dbraw/zinc/75/67/67/1177756767.db2.gz BCEABQMLJBQGDB-VUIJXICVSA-N 2 2 342.487 2.165 10 0 EEAELP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001266957298 1177897537 /nfs/dbraw/zinc/89/75/37/1177897537.db2.gz YMAPIVZHGPVYTL-CQSZACIVSA-N 2 2 339.443 2.129 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](CC1=CCCCC1)C1CC1 ZINC001267337277 1178782637 /nfs/dbraw/zinc/78/26/37/1178782637.db2.gz OLCVJPQQYPBNQO-UHFFFAOYSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](CC1=CCCCC1)C1CC1 ZINC001267337277 1178782641 /nfs/dbraw/zinc/78/26/41/1178782641.db2.gz OLCVJPQQYPBNQO-UHFFFAOYSA-N 2 2 330.476 2.434 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001267372058 1178871345 /nfs/dbraw/zinc/87/13/45/1178871345.db2.gz DPMIMULJDHXIMN-OAHLLOKOSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001267372058 1178871355 /nfs/dbraw/zinc/87/13/55/1178871355.db2.gz DPMIMULJDHXIMN-OAHLLOKOSA-N 2 2 336.480 2.219 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1nc2ccccc2o1 ZINC001480951814 1179124642 /nfs/dbraw/zinc/12/46/42/1179124642.db2.gz NSUFXMZFOINUEJ-MRXNPFEDSA-N 2 2 344.459 2.250 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)Cc1nc2ccccc2o1 ZINC001480951814 1179124647 /nfs/dbraw/zinc/12/46/47/1179124647.db2.gz NSUFXMZFOINUEJ-MRXNPFEDSA-N 2 2 344.459 2.250 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC001480951814 1179124651 /nfs/dbraw/zinc/12/46/51/1179124651.db2.gz NSUFXMZFOINUEJ-MRXNPFEDSA-N 2 2 344.459 2.250 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001480951814 1179124654 /nfs/dbraw/zinc/12/46/54/1179124654.db2.gz NSUFXMZFOINUEJ-MRXNPFEDSA-N 2 2 344.459 2.250 10 0 EEAELP CC[N@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CCC(C)C ZINC001480976034 1179407791 /nfs/dbraw/zinc/40/77/91/1179407791.db2.gz RFRXKENJRCYHKM-QGZVFWFLSA-N 2 2 335.496 2.274 10 0 EEAELP CC[N@@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CCC(C)C ZINC001480976034 1179407795 /nfs/dbraw/zinc/40/77/95/1179407795.db2.gz RFRXKENJRCYHKM-QGZVFWFLSA-N 2 2 335.496 2.274 10 0 EEAELP CC[NH+](CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)CCC(C)C ZINC001480976034 1179407799 /nfs/dbraw/zinc/40/77/99/1179407799.db2.gz RFRXKENJRCYHKM-QGZVFWFLSA-N 2 2 335.496 2.274 10 0 EEAELP CC[NH+](CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)CCC(C)C ZINC001480976034 1179407806 /nfs/dbraw/zinc/40/78/06/1179407806.db2.gz RFRXKENJRCYHKM-QGZVFWFLSA-N 2 2 335.496 2.274 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001481186842 1180030696 /nfs/dbraw/zinc/03/06/96/1180030696.db2.gz ZSYDMZRUWWLBMB-UHFFFAOYSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001481186842 1180030700 /nfs/dbraw/zinc/03/07/00/1180030700.db2.gz ZSYDMZRUWWLBMB-UHFFFAOYSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1ncoc1C[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001481186842 1180030705 /nfs/dbraw/zinc/03/07/05/1180030705.db2.gz ZSYDMZRUWWLBMB-UHFFFAOYSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1ncoc1C[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001481186842 1180030707 /nfs/dbraw/zinc/03/07/07/1180030707.db2.gz ZSYDMZRUWWLBMB-UHFFFAOYSA-N 2 2 336.480 2.042 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001267826762 1180593278 /nfs/dbraw/zinc/59/32/78/1180593278.db2.gz LYDKUBPVVXJFMA-MRXNPFEDSA-N 2 2 339.443 2.129 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C/C=C/c1ccccc1 ZINC001268011169 1180970030 /nfs/dbraw/zinc/97/00/30/1180970030.db2.gz SLKZMINRBRLNOP-YXMGTMDOSA-N 2 2 326.444 2.018 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001481411732 1181251615 /nfs/dbraw/zinc/25/16/15/1181251615.db2.gz IFTJCQCYVVQJQS-IAGOWNOFSA-N 2 2 348.491 2.453 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001481411732 1181251621 /nfs/dbraw/zinc/25/16/21/1181251621.db2.gz IFTJCQCYVVQJQS-IAGOWNOFSA-N 2 2 348.491 2.453 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001481437675 1181341277 /nfs/dbraw/zinc/34/12/77/1181341277.db2.gz XERMXCGQWAXMGE-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP CCCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001481437675 1181341282 /nfs/dbraw/zinc/34/12/82/1181341282.db2.gz XERMXCGQWAXMGE-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001268153514 1181846520 /nfs/dbraw/zinc/84/65/20/1181846520.db2.gz KEXIBSYMNXILLP-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001481702731 1182242002 /nfs/dbraw/zinc/24/20/02/1182242002.db2.gz IFMSDZIJKKPDKV-QGZVFWFLSA-N 2 2 337.427 2.214 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001481702731 1182242007 /nfs/dbraw/zinc/24/20/07/1182242007.db2.gz IFMSDZIJKKPDKV-QGZVFWFLSA-N 2 2 337.427 2.214 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001481702731 1182242014 /nfs/dbraw/zinc/24/20/14/1182242014.db2.gz IFMSDZIJKKPDKV-QGZVFWFLSA-N 2 2 337.427 2.214 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001481702731 1182242018 /nfs/dbraw/zinc/24/20/18/1182242018.db2.gz IFMSDZIJKKPDKV-QGZVFWFLSA-N 2 2 337.427 2.214 10 0 EEAELP CCN(CC[NH2+]Cc1ccn(CC)n1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268463305 1182766571 /nfs/dbraw/zinc/76/65/71/1182766571.db2.gz WYNSOKCEMLFIMF-UHFFFAOYSA-N 2 2 340.431 2.031 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@H]2CCO[C@@H](C)C2)CCCC1 ZINC001481912555 1182935675 /nfs/dbraw/zinc/93/56/75/1182935675.db2.gz YETFPUWLVASHOH-HOCLYGCPSA-N 2 2 348.491 2.094 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]CCc1ccccc1)C1CC1 ZINC001481948326 1183015956 /nfs/dbraw/zinc/01/59/56/1183015956.db2.gz PYAWJOGWTMPCLG-FQEVSTJZSA-N 2 2 340.471 2.378 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001268558823 1183254191 /nfs/dbraw/zinc/25/41/91/1183254191.db2.gz ABEINYJZORNIJR-LHRDXKRPSA-N 2 2 338.455 2.216 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CCCC1CCC1 ZINC001482117210 1183349816 /nfs/dbraw/zinc/34/98/16/1183349816.db2.gz GJBFEOGCWZROHJ-NVXWUHKLSA-N 2 2 332.492 2.368 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)CC[NH+]2CCCCC2)o1 ZINC001268630667 1183553212 /nfs/dbraw/zinc/55/32/12/1183553212.db2.gz OKXVWOIDISCTIL-AWFCHZOYSA-N 2 2 334.464 2.182 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)CCc1c[nH+]cn1C ZINC001268713847 1183633839 /nfs/dbraw/zinc/63/38/39/1183633839.db2.gz WCCCPEPFSZFPPN-HWYHOQROSA-N 2 2 326.444 2.160 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268775324 1183693417 /nfs/dbraw/zinc/69/34/17/1183693417.db2.gz LXWJJQXMNQXNAG-VXGBXAGGSA-N 2 2 332.370 2.169 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001269084235 1183947645 /nfs/dbraw/zinc/94/76/45/1183947645.db2.gz RIUIZUHDLYOWBG-LBPRGKRZSA-N 2 2 332.370 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001269084235 1183947654 /nfs/dbraw/zinc/94/76/54/1183947654.db2.gz RIUIZUHDLYOWBG-LBPRGKRZSA-N 2 2 332.370 2.184 10 0 EEAELP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001269736600 1184569004 /nfs/dbraw/zinc/56/90/04/1184569004.db2.gz LIEPBECWEXKRHJ-IBGZPJMESA-N 2 2 332.492 2.467 10 0 EEAELP CCCCC[N@H+]1CC[C@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001269736600 1184569008 /nfs/dbraw/zinc/56/90/08/1184569008.db2.gz LIEPBECWEXKRHJ-IBGZPJMESA-N 2 2 332.492 2.467 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691506728 1185018774 /nfs/dbraw/zinc/01/87/74/1185018774.db2.gz WKLVHWUERAWJCB-KQFSBCPLSA-N 2 2 330.476 2.286 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001482296623 1185166174 /nfs/dbraw/zinc/16/61/74/1185166174.db2.gz KVQYTMWCVVBUFK-IAOVAPTHSA-N 2 2 342.443 2.159 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001482296623 1185166176 /nfs/dbraw/zinc/16/61/76/1185166176.db2.gz KVQYTMWCVVBUFK-IAOVAPTHSA-N 2 2 342.443 2.159 10 0 EEAELP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482301162 1185212607 /nfs/dbraw/zinc/21/26/07/1185212607.db2.gz JHZDJTSTZCVFMA-HIFRSBDPSA-N 2 2 332.473 2.144 10 0 EEAELP CC(C)n1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC001482353243 1185488027 /nfs/dbraw/zinc/48/80/27/1185488027.db2.gz GBVBJCXIMFQCNW-AWEZNQCLSA-N 2 2 346.479 2.101 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001482371071 1185534557 /nfs/dbraw/zinc/53/45/57/1185534557.db2.gz IYWZNLDUVRHFID-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001482462650 1185931969 /nfs/dbraw/zinc/93/19/69/1185931969.db2.gz NNIWQOOHFAFGIW-DLBZAZTESA-N 2 2 348.491 2.191 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1nccs1 ZINC001271598553 1186331688 /nfs/dbraw/zinc/33/16/88/1186331688.db2.gz AAVLETIGSPIWMM-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1cccc(Cl)n1 ZINC001271844160 1186544658 /nfs/dbraw/zinc/54/46/58/1186544658.db2.gz FFEPUDRXVXRDAD-HNNXBMFYSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1cccc(Cl)n1 ZINC001271844160 1186544663 /nfs/dbraw/zinc/54/46/63/1186544663.db2.gz FFEPUDRXVXRDAD-HNNXBMFYSA-N 2 2 349.866 2.321 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001482693321 1187660097 /nfs/dbraw/zinc/66/00/97/1187660097.db2.gz LWLLZAHYTWQPGM-HOCLYGCPSA-N 2 2 346.500 2.439 10 0 EEAELP CCN(CC[NH2+]Cc1oc(C(C)C)nc1C)C(=O)Cc1[nH]c[nH+]c1C ZINC001482965100 1187901385 /nfs/dbraw/zinc/90/13/85/1187901385.db2.gz AZGKTNAZVAKILK-UHFFFAOYSA-N 2 2 347.463 2.319 10 0 EEAELP O=C(NCC=CC[NH2+]C[C@@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001483024171 1188014205 /nfs/dbraw/zinc/01/42/05/1188014205.db2.gz SOOWKIIRRCZNDO-FAAWYNLUSA-N 2 2 328.416 2.008 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483043017 1188194274 /nfs/dbraw/zinc/19/42/74/1188194274.db2.gz SCGUWZUJMQGJOK-WAYWQWQTSA-N 2 2 348.491 2.434 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001483069023 1188414933 /nfs/dbraw/zinc/41/49/33/1188414933.db2.gz OXZPMNAJQIHLCW-ABCZVMIZSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001483069023 1188414934 /nfs/dbraw/zinc/41/49/34/1188414934.db2.gz OXZPMNAJQIHLCW-ABCZVMIZSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001272824245 1193563335 /nfs/dbraw/zinc/56/33/35/1193563335.db2.gz VWHJCJNKLOVJJX-CQSZACIVSA-N 2 2 332.423 2.474 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001272824245 1193563337 /nfs/dbraw/zinc/56/33/37/1193563337.db2.gz VWHJCJNKLOVJJX-CQSZACIVSA-N 2 2 332.423 2.474 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483142282 1188729726 /nfs/dbraw/zinc/72/97/26/1188729726.db2.gz PXXAYFDGRIDGKV-YZJPHSQXSA-N 2 2 338.455 2.253 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483144468 1188752605 /nfs/dbraw/zinc/75/26/05/1188752605.db2.gz PDWMBZPUCZJISY-TZMCWYRMSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CCCn1cc[nH+]c1 ZINC001483199628 1189088907 /nfs/dbraw/zinc/08/89/07/1189088907.db2.gz PIPAJKLOMXJCTK-OAHLLOKOSA-N 2 2 339.443 2.439 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC001409418373 1189650256 /nfs/dbraw/zinc/65/02/56/1189650256.db2.gz INBDJVQHXCSJPF-HOTGVXAUSA-N 2 2 328.460 2.262 10 0 EEAELP CC(C)Oc1cccc(C[NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001485962820 1193655203 /nfs/dbraw/zinc/65/52/03/1193655203.db2.gz NXSVRDBLSHZUNL-MRXNPFEDSA-N 2 2 344.459 2.307 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001483347126 1190383191 /nfs/dbraw/zinc/38/31/91/1190383191.db2.gz HUIHMWUBXGFLTR-RHSMWYFYSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001483347126 1190383196 /nfs/dbraw/zinc/38/31/96/1190383196.db2.gz HUIHMWUBXGFLTR-RHSMWYFYSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483347126 1190383202 /nfs/dbraw/zinc/38/32/02/1190383202.db2.gz HUIHMWUBXGFLTR-RHSMWYFYSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001483347126 1190383207 /nfs/dbraw/zinc/38/32/07/1190383207.db2.gz HUIHMWUBXGFLTR-RHSMWYFYSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483393248 1190438082 /nfs/dbraw/zinc/43/80/82/1190438082.db2.gz OOBOWHKPCJCHGF-GOEBONIOSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483393248 1190438085 /nfs/dbraw/zinc/43/80/85/1190438085.db2.gz OOBOWHKPCJCHGF-GOEBONIOSA-N 2 2 336.480 2.184 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001483497589 1190514623 /nfs/dbraw/zinc/51/46/23/1190514623.db2.gz UFIUKOVJOPURFB-AWEZNQCLSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001483497589 1190514625 /nfs/dbraw/zinc/51/46/25/1190514625.db2.gz UFIUKOVJOPURFB-AWEZNQCLSA-N 2 2 332.423 2.366 10 0 EEAELP COCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001486107991 1193684724 /nfs/dbraw/zinc/68/47/24/1193684724.db2.gz GJYPSJRUCZBQQD-RHSMWYFYSA-N 2 2 344.459 2.262 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001483610403 1190588798 /nfs/dbraw/zinc/58/87/98/1190588798.db2.gz XDTIGBUKBDLEIW-RTBURBONSA-N 2 2 338.455 2.445 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCCc1ccccc1 ZINC001272322229 1190760799 /nfs/dbraw/zinc/76/07/99/1190760799.db2.gz IXVIJWSUTWJJAI-ROUUACIJSA-N 2 2 340.471 2.460 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C2)co1 ZINC001484166137 1191253792 /nfs/dbraw/zinc/25/37/92/1191253792.db2.gz CVORCZUUWPTADX-SFHVURJKSA-N 2 2 336.480 2.043 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C2)co1 ZINC001484166137 1191253794 /nfs/dbraw/zinc/25/37/94/1191253794.db2.gz CVORCZUUWPTADX-SFHVURJKSA-N 2 2 336.480 2.043 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCN(C)C(=O)CC[NH+]2CCCCC2)co1 ZINC001484769703 1191512996 /nfs/dbraw/zinc/51/29/96/1191512996.db2.gz ZGAPBXMPXBMYCH-UHFFFAOYSA-N 2 2 336.480 2.139 10 0 EEAELP Cc1nc(C[N@H+](C)CCCN(C)C(=O)CC[NH+]2CCCCC2)co1 ZINC001484769703 1191512998 /nfs/dbraw/zinc/51/29/98/1191512998.db2.gz ZGAPBXMPXBMYCH-UHFFFAOYSA-N 2 2 336.480 2.139 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001484987680 1191603512 /nfs/dbraw/zinc/60/35/12/1191603512.db2.gz FWHVKUZISYRYQW-HOCLYGCPSA-N 2 2 345.447 2.129 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C[C@@H]1C ZINC001484987680 1191603514 /nfs/dbraw/zinc/60/35/14/1191603514.db2.gz FWHVKUZISYRYQW-HOCLYGCPSA-N 2 2 345.447 2.129 10 0 EEAELP C[C@H](CC(=O)NCC1=CC[N@H+](CC[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001486516189 1194022244 /nfs/dbraw/zinc/02/22/44/1194022244.db2.gz BTOMUMPHXCMNGI-SJLPKXTDSA-N 2 2 346.475 2.009 10 0 EEAELP C[C@H](CC(=O)NCC1=CC[N@@H+](CC[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001486516189 1194022247 /nfs/dbraw/zinc/02/22/47/1194022247.db2.gz BTOMUMPHXCMNGI-SJLPKXTDSA-N 2 2 346.475 2.009 10 0 EEAELP CC(C)OCC[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001486516796 1194022605 /nfs/dbraw/zinc/02/26/05/1194022605.db2.gz NXNXDXWRIKFBHX-MRXNPFEDSA-N 2 2 334.464 2.008 10 0 EEAELP CC(C)OCC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001486516796 1194022614 /nfs/dbraw/zinc/02/26/14/1194022614.db2.gz NXNXDXWRIKFBHX-MRXNPFEDSA-N 2 2 334.464 2.008 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)co1 ZINC001486516123 1194036778 /nfs/dbraw/zinc/03/67/78/1194036778.db2.gz ZRGKVIJQDNLZOJ-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[N@H+](C)CC(C)(C)C)CC2)co1 ZINC001486516123 1194036781 /nfs/dbraw/zinc/03/67/81/1194036781.db2.gz ZRGKVIJQDNLZOJ-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC2)co1 ZINC001486516123 1194036783 /nfs/dbraw/zinc/03/67/83/1194036783.db2.gz ZRGKVIJQDNLZOJ-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC2)co1 ZINC001486516123 1194036785 /nfs/dbraw/zinc/03/67/85/1194036785.db2.gz ZRGKVIJQDNLZOJ-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001273140701 1196774588 /nfs/dbraw/zinc/77/45/88/1196774588.db2.gz PFWFDNMEWOMLJB-PWSUYJOCSA-N 2 2 347.290 2.329 10 0 EEAELP CC[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001410055128 1197524257 /nfs/dbraw/zinc/52/42/57/1197524257.db2.gz DGJZNJAMXZHLOY-DDBAPUKQSA-N 2 2 344.503 2.102 10 0 EEAELP CC[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001410055128 1197524261 /nfs/dbraw/zinc/52/42/61/1197524261.db2.gz DGJZNJAMXZHLOY-DDBAPUKQSA-N 2 2 344.503 2.102 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001410107143 1197551929 /nfs/dbraw/zinc/55/19/29/1197551929.db2.gz KCRHXZWPIJFCEX-PHZGNYQRSA-N 2 2 332.492 2.083 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001410107143 1197551930 /nfs/dbraw/zinc/55/19/30/1197551930.db2.gz KCRHXZWPIJFCEX-PHZGNYQRSA-N 2 2 332.492 2.083 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000868757802 1201872630 /nfs/dbraw/zinc/87/26/30/1201872630.db2.gz DPQWDNUGEWXPMN-WBVHZDCISA-N 2 2 330.476 2.345 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000868757802 1201872632 /nfs/dbraw/zinc/87/26/32/1201872632.db2.gz DPQWDNUGEWXPMN-WBVHZDCISA-N 2 2 330.476 2.345 10 0 EEAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000868757802 1201872635 /nfs/dbraw/zinc/87/26/35/1201872635.db2.gz DPQWDNUGEWXPMN-WBVHZDCISA-N 2 2 330.476 2.345 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000869008531 1201922770 /nfs/dbraw/zinc/92/27/70/1201922770.db2.gz QKXQMTHDUFKPAH-KSTDHSDQSA-N 2 2 333.480 2.182 10 0 EEAELP CCOCC[NH2+]C1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001274349604 1205004335 /nfs/dbraw/zinc/00/43/35/1205004335.db2.gz BJCLXMDJCRJVDT-UHFFFAOYSA-N 2 2 330.432 2.184 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)[C@@H](CC)[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC001411738506 1205506645 /nfs/dbraw/zinc/50/66/45/1205506645.db2.gz DHAWBVQXJYRPGE-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)[C@@H](CC)[N@H+]2CCO[C@H](CC)C2)CC1 ZINC001411738506 1205506647 /nfs/dbraw/zinc/50/66/47/1205506647.db2.gz DHAWBVQXJYRPGE-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]CCCN(C)C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001276127841 1205790748 /nfs/dbraw/zinc/79/07/48/1205790748.db2.gz HJTDEOXJZYJZHL-CVEARBPZSA-N 2 2 344.459 2.201 10 0 EEAELP C[NH+](C)CCOc1ccc(CCC(=O)OCc2cc[nH+]c(N)c2)cc1 ZINC000924382407 1205966875 /nfs/dbraw/zinc/96/68/75/1205966875.db2.gz AHXJPPMHLYXBBR-UHFFFAOYSA-N 2 2 343.427 2.280 10 0 EEAELP O[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000924643810 1206008974 /nfs/dbraw/zinc/00/89/74/1206008974.db2.gz QADLHLKXHVFGNV-PWRODBHTSA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@H](C1CCC1)[C@H]1CCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000924643810 1206008976 /nfs/dbraw/zinc/00/89/76/1206008976.db2.gz QADLHLKXHVFGNV-PWRODBHTSA-N 2 2 344.499 2.200 10 0 EEAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)n1 ZINC000924705098 1206021358 /nfs/dbraw/zinc/02/13/58/1206021358.db2.gz WHKWGALIWHMETB-CQSZACIVSA-N 2 2 331.464 2.398 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000924902193 1206048505 /nfs/dbraw/zinc/04/85/05/1206048505.db2.gz NDPZEXHYMWOVLH-RBUKOAKNSA-N 2 2 344.503 2.455 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000924902193 1206048508 /nfs/dbraw/zinc/04/85/08/1206048508.db2.gz NDPZEXHYMWOVLH-RBUKOAKNSA-N 2 2 344.503 2.455 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1cc(Cl)c2c(c1)OCCO2 ZINC000925512843 1206121691 /nfs/dbraw/zinc/12/16/91/1206121691.db2.gz GEYNIJISIYPKEL-ZFWWWQNUSA-N 2 2 338.835 2.019 10 0 EEAELP COC(=O)c1nc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)ccc1Cl ZINC000925708094 1206145299 /nfs/dbraw/zinc/14/52/99/1206145299.db2.gz CLWXSQVKQZKPIC-UGFHNGPFSA-N 2 2 337.851 2.388 10 0 EEAELP Brc1cccc2c1C[C@H]([NH2+][C@H]1[C@@H]3[NH2+]C[C@H]4C[C@H]1C[C@H]34)CO2 ZINC000925730233 1206147369 /nfs/dbraw/zinc/14/73/69/1206147369.db2.gz UYXFRNXZIKPXLJ-MJOGJHMBSA-N 2 2 349.272 2.339 10 0 EEAELP C[C@@H](c1ccc(F)nc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000929970688 1206523544 /nfs/dbraw/zinc/52/35/44/1206523544.db2.gz FZTMJDOPZPPFDX-HNNXBMFYSA-N 2 2 348.466 2.158 10 0 EEAELP C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000930033953 1206530025 /nfs/dbraw/zinc/53/00/25/1206530025.db2.gz XIESFBIMGGZAFU-HNNXBMFYSA-N 2 2 334.489 2.061 10 0 EEAELP C[N@H+]1CC[C@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000930033953 1206530026 /nfs/dbraw/zinc/53/00/26/1206530026.db2.gz XIESFBIMGGZAFU-HNNXBMFYSA-N 2 2 334.489 2.061 10 0 EEAELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602678 1206569926 /nfs/dbraw/zinc/56/99/26/1206569926.db2.gz WUMHYEYQXBBHEC-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602678 1206569927 /nfs/dbraw/zinc/56/99/27/1206569927.db2.gz WUMHYEYQXBBHEC-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602678 1206569928 /nfs/dbraw/zinc/56/99/28/1206569928.db2.gz WUMHYEYQXBBHEC-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602678 1206569929 /nfs/dbraw/zinc/56/99/29/1206569929.db2.gz WUMHYEYQXBBHEC-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP C[C@H](C(=O)N(C)C)[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931215151 1206616619 /nfs/dbraw/zinc/61/66/19/1206616619.db2.gz DZKHDUYDNQAOKW-AHRSYUTCSA-N 2 2 329.488 2.307 10 0 EEAELP C[C@H](C(=O)N(C)C)[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931215151 1206616620 /nfs/dbraw/zinc/61/66/20/1206616620.db2.gz DZKHDUYDNQAOKW-AHRSYUTCSA-N 2 2 329.488 2.307 10 0 EEAELP C[C@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931215151 1206616621 /nfs/dbraw/zinc/61/66/21/1206616621.db2.gz DZKHDUYDNQAOKW-AHRSYUTCSA-N 2 2 329.488 2.307 10 0 EEAELP C[C@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931215151 1206616622 /nfs/dbraw/zinc/61/66/22/1206616622.db2.gz DZKHDUYDNQAOKW-AHRSYUTCSA-N 2 2 329.488 2.307 10 0 EEAELP C[C@]12C[NH+](CCn3cncn3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931215226 1206616712 /nfs/dbraw/zinc/61/67/12/1206616712.db2.gz VKTWQLSXJLGMCJ-RTBURBONSA-N 2 2 325.460 2.122 10 0 EEAELP O=C(CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1)Nc1ccccc1F ZINC000931291183 1206622470 /nfs/dbraw/zinc/62/24/70/1206622470.db2.gz MYRUWJIQJZGQKS-UHFFFAOYSA-N 2 2 349.450 2.341 10 0 EEAELP O=C(CC[NH+]1CCC([N@H+]2CCCOCC2)CC1)Nc1ccccc1F ZINC000931291183 1206622471 /nfs/dbraw/zinc/62/24/71/1206622471.db2.gz MYRUWJIQJZGQKS-UHFFFAOYSA-N 2 2 349.450 2.341 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH+]2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)cc1 ZINC000931304013 1206623265 /nfs/dbraw/zinc/62/32/65/1206623265.db2.gz JXNZOWNCRUVDNW-NSISKUIASA-N 2 2 348.487 2.099 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158025727 1208387177 /nfs/dbraw/zinc/38/71/77/1208387177.db2.gz XDWBAALRYMVHAS-OAHLLOKOSA-N 2 2 348.834 2.023 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158025727 1208387179 /nfs/dbraw/zinc/38/71/79/1208387179.db2.gz XDWBAALRYMVHAS-OAHLLOKOSA-N 2 2 348.834 2.023 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000796387014 1213978465 /nfs/dbraw/zinc/97/84/65/1213978465.db2.gz WXPSERKJFBTDGE-HSALFYBXSA-N 2 2 341.499 2.417 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000796387014 1213978474 /nfs/dbraw/zinc/97/84/74/1213978474.db2.gz WXPSERKJFBTDGE-HSALFYBXSA-N 2 2 341.499 2.417 10 0 EEAELP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001412950483 1216145990 /nfs/dbraw/zinc/14/59/90/1216145990.db2.gz SAWSSTNQQFIBJA-QGZVFWFLSA-N 2 2 326.444 2.247 10 0 EEAELP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001412950483 1216145991 /nfs/dbraw/zinc/14/59/91/1216145991.db2.gz SAWSSTNQQFIBJA-QGZVFWFLSA-N 2 2 326.444 2.247 10 0 EEAELP C([C@@H]1COC2(CCCCC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001412984511 1216362926 /nfs/dbraw/zinc/36/29/26/1216362926.db2.gz SVPMKDUWDCGDTA-QZTJIDSGSA-N 2 2 338.492 2.249 10 0 EEAELP C([C@@H]1COC2(CCCCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001412984511 1216362931 /nfs/dbraw/zinc/36/29/31/1216362931.db2.gz SVPMKDUWDCGDTA-QZTJIDSGSA-N 2 2 338.492 2.249 10 0 EEAELP C/C(=C\C(=O)NCCC[N@@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000900106754 1234018745 /nfs/dbraw/zinc/01/87/45/1234018745.db2.gz UTMBGAXDHJJTLF-BMRADRMJSA-N 2 2 337.508 2.036 10 0 EEAELP C/C(=C\C(=O)NCCC[N@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000900106754 1234018747 /nfs/dbraw/zinc/01/87/47/1234018747.db2.gz UTMBGAXDHJJTLF-BMRADRMJSA-N 2 2 337.508 2.036 10 0 EEAELP C/C(=C/C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000900216249 1234098037 /nfs/dbraw/zinc/09/80/37/1234098037.db2.gz SUHHORUWRURHDP-SOBQPUOHSA-N 2 2 337.508 2.036 10 0 EEAELP C/C(=C/C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C[NH+]1CCOCC1 ZINC000900216249 1234098039 /nfs/dbraw/zinc/09/80/39/1234098039.db2.gz SUHHORUWRURHDP-SOBQPUOHSA-N 2 2 337.508 2.036 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CC1 ZINC000900282139 1234154688 /nfs/dbraw/zinc/15/46/88/1234154688.db2.gz SFLUAGGXDLBZJQ-GOSISDBHSA-N 2 2 341.459 2.065 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC000900691757 1234666597 /nfs/dbraw/zinc/66/65/97/1234666597.db2.gz ASFPUBMKMUTGNL-KRWDZBQOSA-N 2 2 339.524 2.066 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC[C@H]1CC(C)(C)CO1 ZINC000900691757 1234666599 /nfs/dbraw/zinc/66/65/99/1234666599.db2.gz ASFPUBMKMUTGNL-KRWDZBQOSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)[C@@H](C)C[N@@H+]1C ZINC000901284434 1235477669 /nfs/dbraw/zinc/47/76/69/1235477669.db2.gz CRDODQWBGSCYTN-CVEARBPZSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)[C@@H](C)C[N@H+]1C ZINC000901284434 1235477671 /nfs/dbraw/zinc/47/76/71/1235477671.db2.gz CRDODQWBGSCYTN-CVEARBPZSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901284435 1235477801 /nfs/dbraw/zinc/47/78/01/1235477801.db2.gz CRDODQWBGSCYTN-HOTGVXAUSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901284435 1235477803 /nfs/dbraw/zinc/47/78/03/1235477803.db2.gz CRDODQWBGSCYTN-HOTGVXAUSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902952587 1239177547 /nfs/dbraw/zinc/17/75/47/1239177547.db2.gz YMLIQCVLGAFVRR-PBHICJAKSA-N 2 2 333.457 2.490 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(-n2ccnc2)c1 ZINC000903005268 1239315645 /nfs/dbraw/zinc/31/56/45/1239315645.db2.gz QDPCLNYQRIWQPZ-VQIMIIECSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(-n2ccnc2)c1 ZINC000903005268 1239315655 /nfs/dbraw/zinc/31/56/55/1239315655.db2.gz QDPCLNYQRIWQPZ-VQIMIIECSA-N 2 2 328.460 2.370 10 0 EEAELP c1ccc(N2CCC([NH2+][C@H]3CCCN4CCSC[C@H]34)CC2)[nH+]c1 ZINC000903271479 1240149721 /nfs/dbraw/zinc/14/97/21/1240149721.db2.gz MBTIQXUNRVSZAA-DLBZAZTESA-N 2 2 332.517 2.220 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cnn1C ZINC000903895645 1242369910 /nfs/dbraw/zinc/36/99/10/1242369910.db2.gz PMRBCRNCPYNYKQ-VPWXQRGCSA-N 2 2 342.487 2.308 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](C)OC[C@H]2c2ccccc2)cnn1C ZINC000903895645 1242369919 /nfs/dbraw/zinc/36/99/19/1242369919.db2.gz PMRBCRNCPYNYKQ-VPWXQRGCSA-N 2 2 342.487 2.308 10 0 EEAELP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)cs1 ZINC001491084689 1258649816 /nfs/dbraw/zinc/64/98/16/1258649816.db2.gz DXPDQKRBBFXABC-IYBDPMFKSA-N 2 2 332.473 2.470 10 0 EEAELP CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1C(F)(F)F ZINC001489097101 1290368868 /nfs/dbraw/zinc/36/88/68/1290368868.db2.gz SSARFCHIODNKJV-OCCSQVGLSA-N 2 2 346.397 2.369 10 0 EEAELP CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001489097101 1290368880 /nfs/dbraw/zinc/36/88/80/1290368880.db2.gz SSARFCHIODNKJV-OCCSQVGLSA-N 2 2 346.397 2.369 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cccc2cccnc21 ZINC001490262251 1291146808 /nfs/dbraw/zinc/14/68/08/1291146808.db2.gz XMZBQNFOFRZGHL-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cccc2cccnc21 ZINC001490262251 1291146820 /nfs/dbraw/zinc/14/68/20/1291146820.db2.gz XMZBQNFOFRZGHL-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001490794336 1291739469 /nfs/dbraw/zinc/73/94/69/1291739469.db2.gz YAYZAEOVBUGRDA-YQGXSICGSA-N 2 2 342.487 2.477 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001490794336 1291739470 /nfs/dbraw/zinc/73/94/70/1291739470.db2.gz YAYZAEOVBUGRDA-YQGXSICGSA-N 2 2 342.487 2.477 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000852783940 1292196287 /nfs/dbraw/zinc/19/62/87/1292196287.db2.gz ZAWOVMBXMNZJLJ-CVEARBPZSA-N 2 2 345.487 2.215 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585193 1293571854 /nfs/dbraw/zinc/57/18/54/1293571854.db2.gz ANUDQDYEYNWLHW-AZUAARDMSA-N 3 2 346.519 2.471 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585193 1293571857 /nfs/dbraw/zinc/57/18/57/1293571857.db2.gz ANUDQDYEYNWLHW-AZUAARDMSA-N 3 2 346.519 2.471 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585193 1293571862 /nfs/dbraw/zinc/57/18/62/1293571862.db2.gz ANUDQDYEYNWLHW-AZUAARDMSA-N 3 2 346.519 2.471 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585193 1293571867 /nfs/dbraw/zinc/57/18/67/1293571867.db2.gz ANUDQDYEYNWLHW-AZUAARDMSA-N 3 2 346.519 2.471 10 0 EEAELP CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000861348606 1295353190 /nfs/dbraw/zinc/35/31/90/1295353190.db2.gz FYLSECACDIEYME-AEFFLSMTSA-N 2 2 329.400 2.138 10 0 EEAELP CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000861348606 1295353203 /nfs/dbraw/zinc/35/32/03/1295353203.db2.gz FYLSECACDIEYME-AEFFLSMTSA-N 2 2 329.400 2.138 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]Cc2cscn2)c[nH+]1 ZINC001277216210 1301863486 /nfs/dbraw/zinc/86/34/86/1301863486.db2.gz BGWQOWHBGGWFBI-ZDUSSCGKSA-N 2 2 349.504 2.458 10 0 EEAELP C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCOCC1)n1cc[nH+]c1 ZINC001277948217 1305247929 /nfs/dbraw/zinc/24/79/29/1305247929.db2.gz SJQWVSKZPJVJLH-FUHWJXTLSA-N 2 2 348.491 2.232 10 0 EEAELP C[NH+](C)CCCNC(=S)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000799900462 1305493723 /nfs/dbraw/zinc/49/37/23/1305493723.db2.gz JIAMVLGOCDGCRF-HNNXBMFYSA-N 2 2 349.548 2.225 10 0 EEAELP CCOCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001278384788 1309959052 /nfs/dbraw/zinc/95/90/52/1309959052.db2.gz OWZUDUSLHRHJOW-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP [NH3+]C[C@@H]1CC[C@@H]([NH2+]N2CCO[C@H](c3c(F)cccc3Cl)C2)C1 ZINC000843045289 1315828545 /nfs/dbraw/zinc/82/85/45/1315828545.db2.gz MNGBTSXQFHYBEF-JMSVASOKSA-N 2 2 327.831 2.484 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001278652079 1317566418 /nfs/dbraw/zinc/56/64/18/1317566418.db2.gz ZNWVIXLDNQQBRG-HOTGVXAUSA-N 2 2 330.476 2.238 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)Cc2[nH]cc[nH+]2)o1 ZINC001263958653 1322570456 /nfs/dbraw/zinc/57/04/56/1322570456.db2.gz OYEIVRLGXHOECQ-CZUORRHYSA-N 2 2 345.447 2.056 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](CC[NH2+]C[C@H]2CCOC2)C1 ZINC001280096886 1324083732 /nfs/dbraw/zinc/08/37/32/1324083732.db2.gz XXWDEGYAHWPDMH-LSDHHAIUSA-N 2 2 342.443 2.041 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001280307049 1324151173 /nfs/dbraw/zinc/15/11/73/1324151173.db2.gz IYRZXBPSBSNGCP-QGZVFWFLSA-N 2 2 326.444 2.220 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)co1 ZINC001276612473 1324786493 /nfs/dbraw/zinc/78/64/93/1324786493.db2.gz RUBYDCFYRMGJCB-KRWDZBQOSA-N 2 2 339.399 2.158 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccc(F)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001283259063 1325975951 /nfs/dbraw/zinc/97/59/51/1325975951.db2.gz DZKLDCBEXILXLF-AWEZNQCLSA-N 2 2 332.423 2.176 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284019146 1326365327 /nfs/dbraw/zinc/36/53/27/1326365327.db2.gz XFXLOTCHAGYOBG-FUHWJXTLSA-N 2 2 340.471 2.472 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284028784 1326370021 /nfs/dbraw/zinc/37/00/21/1326370021.db2.gz BMDDPZLWSLDALO-IEBWSBKVSA-N 2 2 340.471 2.403 10 0 EEAELP CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001284085869 1326399695 /nfs/dbraw/zinc/39/96/95/1326399695.db2.gz JDMJMGHCFBHQNW-GVDBMIGSSA-N 2 2 332.492 2.370 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491597171 1330179000 /nfs/dbraw/zinc/17/90/00/1330179000.db2.gz YBRIHODWDZRUJZ-ZIAGYGMSSA-N 2 2 348.422 2.276 10 0 EEAELP COCCCC[NH2+]C[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001491822216 1330263904 /nfs/dbraw/zinc/26/39/04/1330263904.db2.gz VSQZEOHOZUOHBY-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC001491888519 1330290549 /nfs/dbraw/zinc/29/05/49/1330290549.db2.gz GWJLMJFYUSRDQR-SJORKVTESA-N 2 2 348.491 2.176 10 0 EEAELP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cncs1 ZINC001492042657 1330416118 /nfs/dbraw/zinc/41/61/18/1330416118.db2.gz CRQHMDDPQWPKDO-LLVKDONJSA-N 2 2 329.429 2.318 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)CC1=CCCCC1 ZINC001492383435 1331202296 /nfs/dbraw/zinc/20/22/96/1331202296.db2.gz CTBLUJBMWXZYOY-IBGZPJMESA-N 2 2 349.519 2.178 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)CC1=CCCCC1 ZINC001492383435 1331202297 /nfs/dbraw/zinc/20/22/97/1331202297.db2.gz CTBLUJBMWXZYOY-IBGZPJMESA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CC1=CCCCC1 ZINC001492383435 1331202301 /nfs/dbraw/zinc/20/23/01/1331202301.db2.gz CTBLUJBMWXZYOY-IBGZPJMESA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CC1=CCCCC1 ZINC001492383435 1331202302 /nfs/dbraw/zinc/20/23/02/1331202302.db2.gz CTBLUJBMWXZYOY-IBGZPJMESA-N 2 2 349.519 2.178 10 0 EEAELP C[N@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)Cc1ccsc1 ZINC001492473988 1331277502 /nfs/dbraw/zinc/27/75/02/1331277502.db2.gz DGUQZEPPLMOOGD-UHFFFAOYSA-N 2 2 341.440 2.191 10 0 EEAELP C[N@@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)Cc1ccsc1 ZINC001492473988 1331277505 /nfs/dbraw/zinc/27/75/05/1331277505.db2.gz DGUQZEPPLMOOGD-UHFFFAOYSA-N 2 2 341.440 2.191 10 0 EEAELP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1csc(Cl)n1)[NH+](C)C ZINC001316861748 1331667536 /nfs/dbraw/zinc/66/75/36/1331667536.db2.gz FPRCZNMMEMMGNP-CYBMUJFWSA-N 2 2 346.928 2.321 10 0 EEAELP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1csc(Cl)n1)[NH+](C)C ZINC001316861748 1331667539 /nfs/dbraw/zinc/66/75/39/1331667539.db2.gz FPRCZNMMEMMGNP-CYBMUJFWSA-N 2 2 346.928 2.321 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001316754683 1331874442 /nfs/dbraw/zinc/87/44/42/1331874442.db2.gz PDURSPZPYGCCRR-KURKYZTESA-N 2 2 344.503 2.416 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001316754683 1331874444 /nfs/dbraw/zinc/87/44/44/1331874444.db2.gz PDURSPZPYGCCRR-KURKYZTESA-N 2 2 344.503 2.416 10 0 EEAELP C[C@@H](CC(=O)NCCC[N@H+](C)C[C@H]1CC(C)(C)CO1)n1cc[nH+]c1 ZINC001316852478 1331935394 /nfs/dbraw/zinc/93/53/94/1331935394.db2.gz VCGYPOKIWZQOEI-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@@H](CC(=O)NCCC[N@@H+](C)C[C@H]1CC(C)(C)CO1)n1cc[nH+]c1 ZINC001316852478 1331935396 /nfs/dbraw/zinc/93/53/96/1331935396.db2.gz VCGYPOKIWZQOEI-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001316942296 1332005058 /nfs/dbraw/zinc/00/50/58/1332005058.db2.gz AKCBOQAUVKDJIS-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)COCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001316942296 1332005063 /nfs/dbraw/zinc/00/50/63/1332005063.db2.gz AKCBOQAUVKDJIS-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001316944981 1332007596 /nfs/dbraw/zinc/00/75/96/1332007596.db2.gz NHQSULLYJCICNF-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCCCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001316944981 1332007599 /nfs/dbraw/zinc/00/75/99/1332007599.db2.gz NHQSULLYJCICNF-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001317426207 1332229992 /nfs/dbraw/zinc/22/99/92/1332229992.db2.gz GHHPPBTYWNHRRB-SFHVURJKSA-N 2 2 341.459 2.229 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC001317426207 1332229994 /nfs/dbraw/zinc/22/99/94/1332229994.db2.gz GHHPPBTYWNHRRB-SFHVURJKSA-N 2 2 341.459 2.229 10 0 EEAELP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001317509376 1332273977 /nfs/dbraw/zinc/27/39/77/1332273977.db2.gz QGCVQYWNJYAVNL-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001317509376 1332273978 /nfs/dbraw/zinc/27/39/78/1332273978.db2.gz QGCVQYWNJYAVNL-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001317509376 1332273980 /nfs/dbraw/zinc/27/39/80/1332273980.db2.gz QGCVQYWNJYAVNL-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001317509376 1332273981 /nfs/dbraw/zinc/27/39/81/1332273981.db2.gz QGCVQYWNJYAVNL-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320470391 1332891454 /nfs/dbraw/zinc/89/14/54/1332891454.db2.gz SPFNGMJQVXWGQM-NVXWUHKLSA-N 2 2 326.444 2.130 10 0 EEAELP CN(CCC[NH2+]CCC[C@@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001322613580 1333293774 /nfs/dbraw/zinc/29/37/74/1333293774.db2.gz NCKJLIPIVNVCGT-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)CCc1[nH+]ccn1C ZINC001322624520 1333296685 /nfs/dbraw/zinc/29/66/85/1333296685.db2.gz ZCPMMCRYHMBYOD-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)Cc1c[nH+]cn1C ZINC001322792753 1333327928 /nfs/dbraw/zinc/32/79/28/1333327928.db2.gz LDIGJUJOAIMSAG-GOSISDBHSA-N 2 2 344.434 2.227 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001324627144 1333726396 /nfs/dbraw/zinc/72/63/96/1333726396.db2.gz AJHMLEGZEBROGU-BSCWQEJHSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001324627144 1333726399 /nfs/dbraw/zinc/72/63/99/1333726399.db2.gz AJHMLEGZEBROGU-BSCWQEJHSA-N 2 2 330.476 2.382 10 0 EEAELP COCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325946192 1334003464 /nfs/dbraw/zinc/00/34/64/1334003464.db2.gz MUIYLTBAMXDHQG-OKZBNKHCSA-N 2 2 348.491 2.184 10 0 EEAELP COCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)n3cc[nH+]c3)[C@@H]2C1 ZINC001325946192 1334003468 /nfs/dbraw/zinc/00/34/68/1334003468.db2.gz MUIYLTBAMXDHQG-OKZBNKHCSA-N 2 2 348.491 2.184 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CC2=CCCCC2)CCC1 ZINC001326924785 1334184704 /nfs/dbraw/zinc/18/47/04/1334184704.db2.gz MUHSROKYBOVOHS-UHFFFAOYSA-N 2 2 330.476 2.482 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@H+](CCOCC2CCC2)CC1 ZINC001327163931 1334238081 /nfs/dbraw/zinc/23/80/81/1334238081.db2.gz RFJLRUKYQQLGGO-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[N@@H+](CCOCC2CCC2)CC1 ZINC001327163931 1334238085 /nfs/dbraw/zinc/23/80/85/1334238085.db2.gz RFJLRUKYQQLGGO-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC/C=C/c1ccccc1 ZINC001331646529 1335051270 /nfs/dbraw/zinc/05/12/70/1335051270.db2.gz JIADCHYSZXUXBO-DKISHCGFSA-N 2 2 326.444 2.423 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)NCC1=CC[N@H+](C/C=C\Cl)CC1 ZINC001333419185 1336042200 /nfs/dbraw/zinc/04/22/00/1336042200.db2.gz DDAMTKSXFRPNGW-CLTKARDFSA-N 2 2 336.867 2.473 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)NCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001333419185 1336042204 /nfs/dbraw/zinc/04/22/04/1336042204.db2.gz DDAMTKSXFRPNGW-CLTKARDFSA-N 2 2 336.867 2.473 10 0 EEAELP C/C(=C/c1ccncc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847484602 1338097198 /nfs/dbraw/zinc/09/71/98/1338097198.db2.gz CSIRWMAFSKMUJR-WLGQOEQESA-N 2 2 342.487 2.112 10 0 EEAELP C/C(=C/c1ccncc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847484602 1338097201 /nfs/dbraw/zinc/09/72/01/1338097201.db2.gz CSIRWMAFSKMUJR-WLGQOEQESA-N 2 2 342.487 2.112 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC[NH+](CC[C@@H]3CCCCO3)CC2)c[nH+]1 ZINC001433435434 1341598677 /nfs/dbraw/zinc/59/86/77/1341598677.db2.gz AGCPTKUQNIHLAG-KRWDZBQOSA-N 2 2 348.491 2.030 10 0 EEAELP CC(C)OCCC[NH+]1CC([C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001506635727 1342297033 /nfs/dbraw/zinc/29/70/33/1342297033.db2.gz LAFXVLAKEPLIQE-HNNXBMFYSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H]2C[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001565852576 1342569764 /nfs/dbraw/zinc/56/97/64/1342569764.db2.gz PSNYPKJUSFCGBE-HDICACEKSA-N 2 2 340.471 2.378 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]([NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001566711495 1342610103 /nfs/dbraw/zinc/61/01/03/1342610103.db2.gz OSCSFZFJQWLGMU-OAHLLOKOSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]([NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001566711495 1342610109 /nfs/dbraw/zinc/61/01/09/1342610109.db2.gz OSCSFZFJQWLGMU-OAHLLOKOSA-N 2 2 347.850 2.075 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001567391584 1342752539 /nfs/dbraw/zinc/75/25/39/1342752539.db2.gz RYTJHHWZZJLXEA-HNNXBMFYSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001567391584 1342752543 /nfs/dbraw/zinc/75/25/43/1342752543.db2.gz RYTJHHWZZJLXEA-HNNXBMFYSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1ncc(C[NH2+]CCN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001567539088 1342782017 /nfs/dbraw/zinc/78/20/17/1342782017.db2.gz MKOFIHGWXHQJTI-UHFFFAOYSA-N 2 2 339.399 2.031 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001569841256 1342956218 /nfs/dbraw/zinc/95/62/18/1342956218.db2.gz POOUKQCCSNZPFX-YOEHRIQHSA-N 2 2 331.460 2.117 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001570012122 1342999313 /nfs/dbraw/zinc/99/93/13/1342999313.db2.gz YYQKCYLMFNFWMK-ZDUSSCGKSA-N 2 2 348.397 2.259 10 0 EEAELP Cc1nc(C)c(C[N@@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)s1 ZINC001691756914 1357444005 /nfs/dbraw/zinc/44/40/05/1357444005.db2.gz YLOPORKBBXLHSM-UHFFFAOYSA-N 2 2 349.504 2.442 10 0 EEAELP Cc1nc(C)c(C[N@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)s1 ZINC001691756914 1357444008 /nfs/dbraw/zinc/44/40/08/1357444008.db2.gz YLOPORKBBXLHSM-UHFFFAOYSA-N 2 2 349.504 2.442 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC001647298884 1353222543 /nfs/dbraw/zinc/22/25/43/1353222543.db2.gz CNZAMKJGANZLMQ-QZTJIDSGSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC001647298884 1353222548 /nfs/dbraw/zinc/22/25/48/1353222548.db2.gz CNZAMKJGANZLMQ-QZTJIDSGSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001647298884 1353222550 /nfs/dbraw/zinc/22/25/50/1353222550.db2.gz CNZAMKJGANZLMQ-QZTJIDSGSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001647298884 1353222555 /nfs/dbraw/zinc/22/25/55/1353222555.db2.gz CNZAMKJGANZLMQ-QZTJIDSGSA-N 2 2 344.503 2.425 10 0 EEAELP CNc1cc(CNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC001649302915 1353469052 /nfs/dbraw/zinc/46/90/52/1353469052.db2.gz KRQWGXOYIMXRNT-QLFBSQMISA-N 2 2 333.480 2.289 10 0 EEAELP CNc1cc(CNC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc[nH+]1 ZINC001649302915 1353469054 /nfs/dbraw/zinc/46/90/54/1353469054.db2.gz KRQWGXOYIMXRNT-QLFBSQMISA-N 2 2 333.480 2.289 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CCF ZINC001649434616 1353502094 /nfs/dbraw/zinc/50/20/94/1353502094.db2.gz IMWPLEMXUYWXRU-HOCLYGCPSA-N 2 2 337.439 2.209 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1)c1c[nH+]c[nH]1 ZINC001662713166 1354830657 /nfs/dbraw/zinc/83/06/57/1354830657.db2.gz XVYAEXVXOSFSNQ-NSHDSACASA-N 2 2 332.370 2.078 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(CC[NH2+]CC(C)C)cc1 ZINC001662818464 1354853385 /nfs/dbraw/zinc/85/33/85/1354853385.db2.gz KFLIIIOTZNIMBB-UHFFFAOYSA-N 2 2 328.460 2.365 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001663598029 1354996624 /nfs/dbraw/zinc/99/66/24/1354996624.db2.gz HPITZJNVXXPYLJ-YRLOJYSSSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001663598029 1354996625 /nfs/dbraw/zinc/99/66/25/1354996625.db2.gz HPITZJNVXXPYLJ-YRLOJYSSSA-N 2 2 330.476 2.240 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663991756 1355069363 /nfs/dbraw/zinc/06/93/63/1355069363.db2.gz BVDIADJZMJWPTL-IAGOWNOFSA-N 2 2 326.444 2.324 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001663991756 1355069367 /nfs/dbraw/zinc/06/93/67/1355069367.db2.gz BVDIADJZMJWPTL-IAGOWNOFSA-N 2 2 326.444 2.324 10 0 EEAELP CCC[NH2+]C[C@@](C)(NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001666025998 1355427479 /nfs/dbraw/zinc/42/74/79/1355427479.db2.gz DNHMOGRIJJXXIW-LJQANCHMSA-N 2 2 328.460 2.470 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC(CC[NH2+]CCc2cccs2)CC1 ZINC001666266138 1355499451 /nfs/dbraw/zinc/49/94/51/1355499451.db2.gz FNNJJUMYIILZJE-UHFFFAOYSA-N 2 2 346.500 2.406 10 0 EEAELP COCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001666497599 1355534418 /nfs/dbraw/zinc/53/44/18/1355534418.db2.gz POYNAKRBZWMDGK-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP COCCCC[N@H+]1CCC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001666497599 1355534423 /nfs/dbraw/zinc/53/44/23/1355534423.db2.gz POYNAKRBZWMDGK-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP CCOCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001666501186 1355535101 /nfs/dbraw/zinc/53/51/01/1355535101.db2.gz PBRYLWZKXHVQKY-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP CCOCC[N@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001666501186 1355535104 /nfs/dbraw/zinc/53/51/04/1355535104.db2.gz PBRYLWZKXHVQKY-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP CCOCCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001666775683 1355588964 /nfs/dbraw/zinc/58/89/64/1355588964.db2.gz ZCULYXRORVJFNY-UHFFFAOYSA-N 2 2 344.459 2.393 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@H]1CC[NH2+]C/C=C\Cl ZINC001667272779 1355695373 /nfs/dbraw/zinc/69/53/73/1355695373.db2.gz IPXGJVIASQTALH-NOKKCYSASA-N 2 2 338.883 2.466 10 0 EEAELP CCc1nc(C)c(C[NH2+]CCN(CC)C(=O)C(C)(C)c2c[nH+]c[nH]2)o1 ZINC001668614645 1355973429 /nfs/dbraw/zinc/97/34/29/1355973429.db2.gz ZTIOIVUNYCGBOW-UHFFFAOYSA-N 2 2 347.463 2.184 10 0 EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC001668994942 1356062305 /nfs/dbraw/zinc/06/23/05/1356062305.db2.gz DLEBSOQNQUZZGW-KEGWNNHHSA-N 2 2 348.491 2.175 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC001668994942 1356062313 /nfs/dbraw/zinc/06/23/13/1356062313.db2.gz DLEBSOQNQUZZGW-KEGWNNHHSA-N 2 2 348.491 2.175 10 0 EEAELP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001671753119 1356407735 /nfs/dbraw/zinc/40/77/35/1356407735.db2.gz NODWIDPPQZLOPU-QFBILLFUSA-N 2 2 330.476 2.240 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001672287494 1356494376 /nfs/dbraw/zinc/49/43/76/1356494376.db2.gz PLBHFNVRYHCCLV-NEPJUHHUSA-N 2 2 345.274 2.345 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001672287494 1356494379 /nfs/dbraw/zinc/49/43/79/1356494379.db2.gz PLBHFNVRYHCCLV-NEPJUHHUSA-N 2 2 345.274 2.345 10 0 EEAELP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001675526905 1357001083 /nfs/dbraw/zinc/00/10/83/1357001083.db2.gz GBWIMFXBFQWAIT-XLAORIBOSA-N 2 2 344.503 2.320 10 0 EEAELP CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4[nH+]ccn4C3)[C@@H]2C1 ZINC001675526905 1357001087 /nfs/dbraw/zinc/00/10/87/1357001087.db2.gz GBWIMFXBFQWAIT-XLAORIBOSA-N 2 2 344.503 2.320 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691794770 1404949264 /nfs/dbraw/zinc/94/92/64/1404949264.db2.gz OCBAJHJVTFUZKT-KOMQPUFPSA-N 2 2 344.459 2.476 10 0 EEAELP Cc1conc1C[NH2+]CC[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001698920418 1405162104 /nfs/dbraw/zinc/16/21/04/1405162104.db2.gz ALFPNWSNKUYBNA-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001699111480 1405267640 /nfs/dbraw/zinc/26/76/40/1405267640.db2.gz BVKGRYGNYORXIR-WBVHZDCISA-N 2 2 326.444 2.130 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1 ZINC001699286806 1405317575 /nfs/dbraw/zinc/31/75/75/1405317575.db2.gz CXJGNHHRYSZRII-IHWYPQMZSA-N 2 2 348.397 2.093 10 0 EEAELP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001699842506 1405522379 /nfs/dbraw/zinc/52/23/79/1405522379.db2.gz NHGPDJZJQTUULP-LPHOPBHVSA-N 2 2 330.476 2.240 10 0 EEAELP CCN1C[C@H](C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899416 790718894 /nfs/dbraw/zinc/71/88/94/790718894.db2.gz PSNBLRXCZSEGDT-ICSRJNTNSA-N 2 2 343.471 2.425 10 0 EEAELP CCN1C[C@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899416 790718911 /nfs/dbraw/zinc/71/89/11/790718911.db2.gz PSNBLRXCZSEGDT-ICSRJNTNSA-N 2 2 343.471 2.425 10 0 EEAELP CCN1C[C@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899416 790718920 /nfs/dbraw/zinc/71/89/20/790718920.db2.gz PSNBLRXCZSEGDT-ICSRJNTNSA-N 2 2 343.471 2.425 10 0 EEAELP CCN1C[C@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899416 790718931 /nfs/dbraw/zinc/71/89/31/790718931.db2.gz PSNBLRXCZSEGDT-ICSRJNTNSA-N 2 2 343.471 2.425 10 0 EEAELP CC(C)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000906091864 783694685 /nfs/dbraw/zinc/69/46/85/783694685.db2.gz ZLZXYZMKIGCWFJ-PMPSAXMXSA-N 2 2 325.403 2.200 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1(C)C ZINC000907975041 785002128 /nfs/dbraw/zinc/00/21/28/785002128.db2.gz 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ZINC001442168036 1096429444 /nfs/dbraw/zinc/42/94/44/1096429444.db2.gz HYYGTLYDZORLKL-OAHLLOKOSA-N 2 2 349.504 2.130 10 0 EEAELP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001443333144 1097842494 /nfs/dbraw/zinc/84/24/94/1097842494.db2.gz SZLLICCFFWSWSM-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001443333144 1097842503 /nfs/dbraw/zinc/84/25/03/1097842503.db2.gz SZLLICCFFWSWSM-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP COCc1cccc(C[NH+]2CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001443480373 1097977235 /nfs/dbraw/zinc/97/72/35/1097977235.db2.gz KSZZTTSHQMSVHT-LJQANCHMSA-N 2 2 345.487 2.008 10 0 EEAELP COCc1cccc(C[NH+]2CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001443480373 1097977237 /nfs/dbraw/zinc/97/72/37/1097977237.db2.gz KSZZTTSHQMSVHT-LJQANCHMSA-N 2 2 345.487 2.008 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001443835881 1098347177 /nfs/dbraw/zinc/34/71/77/1098347177.db2.gz CVOIICXWNVQLLI-LPHOPBHVSA-N 2 2 340.471 2.364 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001443835881 1098347185 /nfs/dbraw/zinc/34/71/85/1098347185.db2.gz CVOIICXWNVQLLI-LPHOPBHVSA-N 2 2 340.471 2.364 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001443835881 1098347193 /nfs/dbraw/zinc/34/71/93/1098347193.db2.gz CVOIICXWNVQLLI-LPHOPBHVSA-N 2 2 340.471 2.364 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001443835881 1098347207 /nfs/dbraw/zinc/34/72/07/1098347207.db2.gz CVOIICXWNVQLLI-LPHOPBHVSA-N 2 2 340.471 2.364 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001479479446 1098558171 /nfs/dbraw/zinc/55/81/71/1098558171.db2.gz ULUOKBFMBZBWQT-GXTWGEPZSA-N 2 2 348.397 2.305 10 0 EEAELP Cc1ncsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001479488289 1098561864 /nfs/dbraw/zinc/56/18/64/1098561864.db2.gz ISZDEIOVZKZPTB-UONOGXRCSA-N 2 2 347.488 2.100 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@@H+]1Cc1cncs1 ZINC001479642826 1098672486 /nfs/dbraw/zinc/67/24/86/1098672486.db2.gz RTSYJYNADHCSOL-VNQPRFMTSA-N 2 2 347.488 2.460 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@H+]1Cc1cncs1 ZINC001479642826 1098672492 /nfs/dbraw/zinc/67/24/92/1098672492.db2.gz RTSYJYNADHCSOL-VNQPRFMTSA-N 2 2 347.488 2.460 10 0 EEAELP C[N@H+](CCOCC1CCC1)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001479737787 1098849359 /nfs/dbraw/zinc/84/93/59/1098849359.db2.gz XDLXHJNQZPROPD-KRWDZBQOSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CCOCC1CCC1)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001479737787 1098849367 /nfs/dbraw/zinc/84/93/67/1098849367.db2.gz XDLXHJNQZPROPD-KRWDZBQOSA-N 2 2 348.491 2.082 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C/C=C\Cl)C1)[NH+]1CCCCC1 ZINC001479973085 1099421390 /nfs/dbraw/zinc/42/13/90/1099421390.db2.gz VRFZCIVILPCGQS-AJKQWTFCSA-N 2 2 327.900 2.440 10 0 EEAELP 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ZINC001496205768 1100745816 /nfs/dbraw/zinc/74/58/16/1100745816.db2.gz CFZJREBIDWIFLV-AWEZNQCLSA-N 2 2 343.475 2.336 10 0 EEAELP C[C@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496245805 1100815291 /nfs/dbraw/zinc/81/52/91/1100815291.db2.gz WDDKXSAOOYZTNV-KGLIPLIRSA-N 2 2 328.407 2.145 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC001496324181 1100918120 /nfs/dbraw/zinc/91/81/20/1100918120.db2.gz NWFMNDDOOVMYEQ-YJBOKZPZSA-N 2 2 348.491 2.034 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001496612493 1101215977 /nfs/dbraw/zinc/21/59/77/1101215977.db2.gz MFOZXOKVEFRILG-KDOFPFPSSA-N 2 2 343.475 2.222 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001496612493 1101215983 /nfs/dbraw/zinc/21/59/83/1101215983.db2.gz MFOZXOKVEFRILG-KDOFPFPSSA-N 2 2 343.475 2.222 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1COC2(C[NH+](CC(C)C)C2)C1 ZINC001447406861 1102600810 /nfs/dbraw/zinc/60/08/10/1102600810.db2.gz ZXHXEGHAVRFYDS-HZPDHXFCSA-N 2 2 348.491 2.012 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC001447808175 1103370233 /nfs/dbraw/zinc/37/02/33/1103370233.db2.gz QXEFOBMVDVQFAE-UHFFFAOYSA-N 2 2 344.434 2.176 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001447873981 1103489839 /nfs/dbraw/zinc/48/98/39/1103489839.db2.gz INCQXQMGPVHNPS-KGLIPLIRSA-N 2 2 347.463 2.160 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001448312537 1104366865 /nfs/dbraw/zinc/36/68/65/1104366865.db2.gz FSVCLWMWNHBSDT-CQSZACIVSA-N 2 2 331.460 2.259 10 0 EEAELP Cc1ncccc1C[NH+]1CC([C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001448339450 1104425228 /nfs/dbraw/zinc/42/52/28/1104425228.db2.gz KBRFVUWKNOFCHW-GDBMZVCRSA-N 2 2 341.459 2.174 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001480596955 1106735799 /nfs/dbraw/zinc/73/57/99/1106735799.db2.gz NFZATRRXWNQDPK-KBPBESRZSA-N 2 2 338.496 2.468 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001480596955 1106735808 /nfs/dbraw/zinc/73/58/08/1106735808.db2.gz NFZATRRXWNQDPK-KBPBESRZSA-N 2 2 338.496 2.468 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)c(C)s1 ZINC001498381275 1107423282 /nfs/dbraw/zinc/42/32/82/1107423282.db2.gz NQYTZNUMMRKPBN-OLZOCXBDSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)c(C)s1 ZINC001498381275 1107423289 /nfs/dbraw/zinc/42/32/89/1107423289.db2.gz NQYTZNUMMRKPBN-OLZOCXBDSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001498381275 1107423297 /nfs/dbraw/zinc/42/32/97/1107423297.db2.gz NQYTZNUMMRKPBN-OLZOCXBDSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001498381275 1107423301 /nfs/dbraw/zinc/42/33/01/1107423301.db2.gz NQYTZNUMMRKPBN-OLZOCXBDSA-N 2 2 338.521 2.038 10 0 EEAELP 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Cc1nc(C(C)C)ccc1C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001498466884 1107585953 /nfs/dbraw/zinc/58/59/53/1107585953.db2.gz XFVYBLRZNFYXSL-OAHLLOKOSA-N 2 2 343.475 2.347 10 0 EEAELP CN(CCC[NH2+][C@H]1CCc2c1cccc2F)C(=O)Cc1c[nH+]cn1C ZINC001498641795 1107873336 /nfs/dbraw/zinc/87/33/36/1107873336.db2.gz PTPBRAGWXZSFOM-SFHVURJKSA-N 2 2 344.434 2.227 10 0 EEAELP CC(C)c1cccc(C[N@H+](CCNC(=O)Cn2cc[nH+]c2)C2CC2)n1 ZINC001493451657 1108178872 /nfs/dbraw/zinc/17/88/72/1108178872.db2.gz QFRLSGXGMZSNLJ-UHFFFAOYSA-N 2 2 341.459 2.182 10 0 EEAELP CC(C)c1cccc(C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)C2CC2)n1 ZINC001493451657 1108178877 /nfs/dbraw/zinc/17/88/77/1108178877.db2.gz QFRLSGXGMZSNLJ-UHFFFAOYSA-N 2 2 341.459 2.182 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493599976 1108383756 /nfs/dbraw/zinc/38/37/56/1108383756.db2.gz BDGNLUYOZBEHJC-LPHOPBHVSA-N 2 2 338.455 2.181 10 0 EEAELP CCc1nc(C)c(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C(C)C)o1 ZINC001493713310 1108550639 /nfs/dbraw/zinc/55/06/39/1108550639.db2.gz MQAHTZIEVVXJGR-UHFFFAOYSA-N 2 2 347.463 2.114 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CC1CCC1 ZINC001493864329 1108757172 /nfs/dbraw/zinc/75/71/72/1108757172.db2.gz KZVMIQYWTOZIDJ-QGZVFWFLSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CC1CCC1 ZINC001493864329 1108757177 /nfs/dbraw/zinc/75/71/77/1108757177.db2.gz KZVMIQYWTOZIDJ-QGZVFWFLSA-N 2 2 332.492 2.462 10 0 EEAELP CC1CC[NH+](CC[C@H]2CCCN2C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC001478783365 1110657580 /nfs/dbraw/zinc/65/75/80/1110657580.db2.gz FJCFDAFKEBLDCR-GOSISDBHSA-N 2 2 347.507 2.259 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001479259918 1110670222 /nfs/dbraw/zinc/67/02/22/1110670222.db2.gz SCTKYIZJHJIQCS-INIZCTEOSA-N 2 2 345.447 2.001 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001479259918 1110670224 /nfs/dbraw/zinc/67/02/24/1110670224.db2.gz SCTKYIZJHJIQCS-INIZCTEOSA-N 2 2 345.447 2.001 10 0 EEAELP CO[C@@H](C[NH+]1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001499685379 1112443134 /nfs/dbraw/zinc/44/31/34/1112443134.db2.gz DPJLMKOOCWBQMQ-SFHVURJKSA-N 2 2 345.487 2.001 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001499919921 1112541207 /nfs/dbraw/zinc/54/12/07/1112541207.db2.gz ZMSQXZGYWXYMFH-OALUTQOASA-N 2 2 349.519 2.177 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001499919921 1112541209 /nfs/dbraw/zinc/54/12/09/1112541209.db2.gz ZMSQXZGYWXYMFH-OALUTQOASA-N 2 2 349.519 2.177 10 0 EEAELP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001501093176 1113196569 /nfs/dbraw/zinc/19/65/69/1113196569.db2.gz WYVLZRLTZIIQDC-JZJRWUJFSA-N 2 2 338.455 2.423 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCC1 ZINC001502000061 1113553643 /nfs/dbraw/zinc/55/36/43/1113553643.db2.gz SHCYPQFTYDIBSX-HUUCEWRRSA-N 2 2 344.484 2.414 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2nocc2C)CC1(C)C ZINC001502837110 1113830134 /nfs/dbraw/zinc/83/01/34/1113830134.db2.gz XLVPUYPRXNKVFS-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2nocc2C)CC1(C)C ZINC001502837110 1113830137 /nfs/dbraw/zinc/83/01/37/1113830137.db2.gz XLVPUYPRXNKVFS-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2nocc2C)CC1(C)C ZINC001502837110 1113830141 /nfs/dbraw/zinc/83/01/41/1113830141.db2.gz XLVPUYPRXNKVFS-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2nocc2C)CC1(C)C ZINC001502837110 1113830145 /nfs/dbraw/zinc/83/01/45/1113830145.db2.gz XLVPUYPRXNKVFS-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP COC[C@@H](C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001503692332 1113900390 /nfs/dbraw/zinc/90/03/90/1113900390.db2.gz UTZBTIAIWZXUEQ-APWZRJJASA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@@H](C)[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001503692332 1113900391 /nfs/dbraw/zinc/90/03/91/1113900391.db2.gz UTZBTIAIWZXUEQ-APWZRJJASA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@@H](C)[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001503692332 1113900392 /nfs/dbraw/zinc/90/03/92/1113900392.db2.gz UTZBTIAIWZXUEQ-APWZRJJASA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@@H](C)[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001503692332 1113900394 /nfs/dbraw/zinc/90/03/94/1113900394.db2.gz UTZBTIAIWZXUEQ-APWZRJJASA-N 2 2 347.503 2.077 10 0 EEAELP Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2[nH]c[nH+]c2C)sn1 ZINC001505847524 1114230677 /nfs/dbraw/zinc/23/06/77/1114230677.db2.gz TZCKHSJMRRTWLS-UHFFFAOYSA-N 2 2 349.504 2.300 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccc(F)cc1F ZINC001505945984 1114293723 /nfs/dbraw/zinc/29/37/23/1114293723.db2.gz JIVIFZGMTBRHPM-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccc(F)cc1F ZINC001505945984 1114293726 /nfs/dbraw/zinc/29/37/26/1114293726.db2.gz JIVIFZGMTBRHPM-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccc(F)cc1F ZINC001505945984 1114293728 /nfs/dbraw/zinc/29/37/28/1114293728.db2.gz JIVIFZGMTBRHPM-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccc(F)cc1F ZINC001505945984 1114293731 /nfs/dbraw/zinc/29/37/31/1114293731.db2.gz JIVIFZGMTBRHPM-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001505947743 1114295512 /nfs/dbraw/zinc/29/55/12/1114295512.db2.gz AKMGGMVVRAJGOX-IRXDYDNUSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001505947743 1114295515 /nfs/dbraw/zinc/29/55/15/1114295515.db2.gz AKMGGMVVRAJGOX-IRXDYDNUSA-N 2 2 340.471 2.391 10 0 EEAELP CCc1noc(C)c1C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507127600 1115122500 /nfs/dbraw/zinc/12/25/00/1115122500.db2.gz GGYYIYPIGZODOR-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CCCc1ccsc1 ZINC001507145305 1115131867 /nfs/dbraw/zinc/13/18/67/1115131867.db2.gz YSFUNOOUCYYGEV-AWEZNQCLSA-N 2 2 334.489 2.093 10 0 EEAELP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC001508026063 1115391523 /nfs/dbraw/zinc/39/15/23/1115391523.db2.gz IEXOAFPFLVNTDY-DZGCQCFKSA-N 2 2 326.460 2.221 10 0 EEAELP CNc1cc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC001528001503 1120928505 /nfs/dbraw/zinc/92/85/05/1120928505.db2.gz DNTLNQQCAIRXBD-OAHLLOKOSA-N 2 2 333.480 2.435 10 0 EEAELP CNc1cc(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC001528001503 1120928510 /nfs/dbraw/zinc/92/85/10/1120928510.db2.gz DNTLNQQCAIRXBD-OAHLLOKOSA-N 2 2 333.480 2.435 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001568061306 1124266983 /nfs/dbraw/zinc/26/69/83/1124266983.db2.gz FFGQJSQDFWDGIG-QZTJIDSGSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1cc(C)c(C(=O)NCc2ccc(C[NH2+]CCO)cc2)c(C)[nH+]1 ZINC001568119272 1124313223 /nfs/dbraw/zinc/31/32/23/1124313223.db2.gz YOOZCFWWERNVOS-UHFFFAOYSA-N 2 2 327.428 2.019 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CCCc1ccsc1 ZINC001568314546 1124417059 /nfs/dbraw/zinc/41/70/59/1124417059.db2.gz ORBGPGTXPGJLPE-CYBMUJFWSA-N 2 2 334.489 2.391 10 0 EEAELP CC(C)C[C@@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)Cn1cc[nH+]c1 ZINC001568338730 1124426089 /nfs/dbraw/zinc/42/60/89/1124426089.db2.gz GCNYECODXWKTAT-HNNXBMFYSA-N 2 2 349.866 2.252 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001568535756 1124597915 /nfs/dbraw/zinc/59/79/15/1124597915.db2.gz GWQSSWSLHCPELC-MJGOQNOKSA-N 2 2 340.471 2.378 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001565874751 1125446939 /nfs/dbraw/zinc/44/69/39/1125446939.db2.gz VYPLKHISSSRDQC-WKILWMFISA-N 2 2 348.491 2.176 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCc2ccccc21 ZINC000174318339 529903833 /nfs/dbraw/zinc/90/38/33/529903833.db2.gz BLVUWLLEUUBVGK-UHFFFAOYSA-N 2 2 330.476 2.127 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCc2ccccc21 ZINC000174318339 529903834 /nfs/dbraw/zinc/90/38/34/529903834.db2.gz BLVUWLLEUUBVGK-UHFFFAOYSA-N 2 2 330.476 2.127 10 0 EEAELP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000182237689 539589052 /nfs/dbraw/zinc/58/90/52/539589052.db2.gz XLHCALKATRTSCT-OAHLLOKOSA-N 2 2 326.868 2.414 10 0 EEAELP CC(C)CNC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271309 539991728 /nfs/dbraw/zinc/99/17/28/539991728.db2.gz BYCOEEAWIGIXTL-WCQYABFASA-N 2 2 325.482 2.090 10 0 EEAELP CC(C)CNC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)s1 ZINC000725271309 539991732 /nfs/dbraw/zinc/99/17/32/539991732.db2.gz BYCOEEAWIGIXTL-WCQYABFASA-N 2 2 325.482 2.090 10 0 EEAELP C[C@@H]1CN(C(=O)CCOc2ccccc2)C[C@@H](C)[NH+]1CCC[NH+](C)C ZINC000036125073 213071905 /nfs/dbraw/zinc/07/19/05/213071905.db2.gz JQGWQRBNLLILFT-QZTJIDSGSA-N 2 2 347.503 2.328 10 0 EEAELP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000072275982 216101496 /nfs/dbraw/zinc/10/14/96/216101496.db2.gz ARNMYTIRGVSSJQ-SJORKVTESA-N 2 2 341.459 2.153 10 0 EEAELP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422732105 240198457 /nfs/dbraw/zinc/19/84/57/240198457.db2.gz OWAFCWXLYQXFPL-PMACEKPBSA-N 3 2 329.488 2.008 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCc2nc(C)no2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422938651 240299300 /nfs/dbraw/zinc/29/93/00/240299300.db2.gz DTPYERBMMJQCBE-FUHWJXTLSA-N 2 2 330.432 2.402 10 0 EEAELP FC(F)(F)Oc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422897384 240279500 /nfs/dbraw/zinc/27/95/00/240279500.db2.gz ZTTVXCAGRKSBDS-JKSUJKDBSA-N 2 2 344.377 2.484 10 0 EEAELP Fc1ccccc1N1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423143268 240382696 /nfs/dbraw/zinc/38/26/96/240382696.db2.gz WTLJZYPIUJSKGT-NIKGAXFTSA-N 2 2 333.451 2.009 10 0 EEAELP CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000425362433 241140547 /nfs/dbraw/zinc/14/05/47/241140547.db2.gz UYUYBWDYHVYAPX-AEFFLSMTSA-N 2 2 336.501 2.381 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426161011 241227018 /nfs/dbraw/zinc/22/70/18/241227018.db2.gz LJSJJIBQEFBEKD-NVXWUHKLSA-N 2 2 336.476 2.422 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426161011 241227023 /nfs/dbraw/zinc/22/70/23/241227023.db2.gz LJSJJIBQEFBEKD-NVXWUHKLSA-N 2 2 336.476 2.422 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000446713928 242215089 /nfs/dbraw/zinc/21/50/89/242215089.db2.gz BYIAZQLAEVVCSY-YLJYHZDGSA-N 2 2 329.488 2.203 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000446713928 242215094 /nfs/dbraw/zinc/21/50/94/242215094.db2.gz BYIAZQLAEVVCSY-YLJYHZDGSA-N 2 2 329.488 2.203 10 0 EEAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246449508 243254433 /nfs/dbraw/zinc/25/44/33/243254433.db2.gz OPRMXLCJJUDMIZ-SJORKVTESA-N 2 2 333.480 2.035 10 0 EEAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246449508 243254436 /nfs/dbraw/zinc/25/44/36/243254436.db2.gz OPRMXLCJJUDMIZ-SJORKVTESA-N 2 2 333.480 2.035 10 0 EEAELP C[C@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000049557740 214019008 /nfs/dbraw/zinc/01/90/08/214019008.db2.gz AASJIYMFBLOQLY-LLVKDONJSA-N 2 2 328.254 2.317 10 0 EEAELP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000080609095 217318486 /nfs/dbraw/zinc/31/84/86/217318486.db2.gz QLLNTFIFQNQDEW-GOSISDBHSA-N 2 2 331.435 2.097 10 0 EEAELP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000080609095 217318487 /nfs/dbraw/zinc/31/84/87/217318487.db2.gz QLLNTFIFQNQDEW-GOSISDBHSA-N 2 2 331.435 2.097 10 0 EEAELP C[NH2+]C(C)(C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000270531656 256144987 /nfs/dbraw/zinc/14/49/87/256144987.db2.gz UYMZKMWRIKNGPN-LBPRGKRZSA-N 2 2 339.509 2.495 10 0 EEAELP C[NH2+]C(C)(C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000270531656 256144989 /nfs/dbraw/zinc/14/49/89/256144989.db2.gz UYMZKMWRIKNGPN-LBPRGKRZSA-N 2 2 339.509 2.495 10 0 EEAELP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119817493 142378620 /nfs/dbraw/zinc/37/86/20/142378620.db2.gz FVIQMRPNMHISIB-MRXNPFEDSA-N 2 2 335.496 2.116 10 0 EEAELP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000119817493 142378621 /nfs/dbraw/zinc/37/86/21/142378621.db2.gz FVIQMRPNMHISIB-MRXNPFEDSA-N 2 2 335.496 2.116 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000086171351 292206265 /nfs/dbraw/zinc/20/62/65/292206265.db2.gz XCLPWVUJVSKUNM-SFHVURJKSA-N 2 2 331.460 2.332 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000086171351 292206268 /nfs/dbraw/zinc/20/62/68/292206268.db2.gz XCLPWVUJVSKUNM-SFHVURJKSA-N 2 2 331.460 2.332 10 0 EEAELP CCOCC[N@@H+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C[C@@H]1CC ZINC000116871301 152066300 /nfs/dbraw/zinc/06/63/00/152066300.db2.gz SWIDTRDZDBEUPR-KRWDZBQOSA-N 2 2 347.507 2.404 10 0 EEAELP CCOCC[N@H+]1CCN(c2cc(N3CCCCC3)[nH+]cn2)C[C@@H]1CC ZINC000116871301 152066306 /nfs/dbraw/zinc/06/63/06/152066306.db2.gz SWIDTRDZDBEUPR-KRWDZBQOSA-N 2 2 347.507 2.404 10 0 EEAELP C[C@H](c1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1)[NH+]1CCOCC1 ZINC000263107067 152376043 /nfs/dbraw/zinc/37/60/43/152376043.db2.gz AAGHXJMVWZITGV-IUODEOHRSA-N 2 2 339.386 2.016 10 0 EEAELP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000354155954 153141051 /nfs/dbraw/zinc/14/10/51/153141051.db2.gz SRNXVEFGEONHIV-VTHDOGFWSA-N 3 2 343.515 2.228 10 0 EEAELP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000354155954 153141058 /nfs/dbraw/zinc/14/10/58/153141058.db2.gz SRNXVEFGEONHIV-VTHDOGFWSA-N 3 2 343.515 2.228 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000128551641 292344092 /nfs/dbraw/zinc/34/40/92/292344092.db2.gz JGZLJCTUNPZEEQ-QGZVFWFLSA-N 2 2 345.491 2.082 10 0 EEAELP C[C@H]([NH2+]CC(=O)Nc1nncs1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180647339 159938311 /nfs/dbraw/zinc/93/83/11/159938311.db2.gz HHOVVSDNGHCEJX-NSHDSACASA-N 2 2 328.401 2.013 10 0 EEAELP CC(C)[C@@H](CNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193639693 160184511 /nfs/dbraw/zinc/18/45/11/160184511.db2.gz ORSCVRRINCWESJ-CEXWTWQISA-N 2 2 329.488 2.036 10 0 EEAELP CC(C)[C@@H](CNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193639693 160184512 /nfs/dbraw/zinc/18/45/12/160184512.db2.gz ORSCVRRINCWESJ-CEXWTWQISA-N 2 2 329.488 2.036 10 0 EEAELP CC(C)[C@@H](CNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193639693 160184515 /nfs/dbraw/zinc/18/45/15/160184515.db2.gz ORSCVRRINCWESJ-CEXWTWQISA-N 2 2 329.488 2.036 10 0 EEAELP CC(C)[C@@H](CNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193639693 160184517 /nfs/dbraw/zinc/18/45/17/160184517.db2.gz ORSCVRRINCWESJ-CEXWTWQISA-N 2 2 329.488 2.036 10 0 EEAELP C[C@H]1CC[N@H+](CCn2cnc3ccccc3c2=O)C[C@H]1n1cc[nH+]c1 ZINC000245579710 160243273 /nfs/dbraw/zinc/24/32/73/160243273.db2.gz INDZCCKHXXKWQC-MAUKXSAKSA-N 2 2 337.427 2.176 10 0 EEAELP C[C@H]1CC[N@@H+](CCn2cnc3ccccc3c2=O)C[C@H]1n1cc[nH+]c1 ZINC000245579710 160243275 /nfs/dbraw/zinc/24/32/75/160243275.db2.gz INDZCCKHXXKWQC-MAUKXSAKSA-N 2 2 337.427 2.176 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245940073 160258209 /nfs/dbraw/zinc/25/82/09/160258209.db2.gz AOSZADOQAZHROD-GOEBONIOSA-N 2 2 327.831 2.292 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245940073 160258211 /nfs/dbraw/zinc/25/82/11/160258211.db2.gz AOSZADOQAZHROD-GOEBONIOSA-N 2 2 327.831 2.292 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2cnc(N3CCOCC3)s2)C[C@H]1n1cc[nH+]c1 ZINC000247271292 160318119 /nfs/dbraw/zinc/31/81/19/160318119.db2.gz YBWOGFWFRUDDPM-GDBMZVCRSA-N 2 2 347.488 2.259 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)CN3C[C@H]4CCC[N@H+]4C[C@@H]3C)c2cc1C ZINC000247484713 160326392 /nfs/dbraw/zinc/32/63/92/160326392.db2.gz SYZXIFBXPGEOIX-RCCFBDPRSA-N 2 2 342.487 2.183 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)CN3C[C@H]4CCC[N@@H+]4C[C@@H]3C)c2cc1C ZINC000247484713 160326394 /nfs/dbraw/zinc/32/63/94/160326394.db2.gz SYZXIFBXPGEOIX-RCCFBDPRSA-N 2 2 342.487 2.183 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000248042896 160337108 /nfs/dbraw/zinc/33/71/08/160337108.db2.gz MGFZUORJYQURNX-PKOBYXMFSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000248042896 160337109 /nfs/dbraw/zinc/33/71/09/160337109.db2.gz MGFZUORJYQURNX-PKOBYXMFSA-N 2 2 347.422 2.443 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248170078 160339598 /nfs/dbraw/zinc/33/95/98/160339598.db2.gz UOLNVVOPZDILMH-IEBWSBKVSA-N 2 2 345.487 2.070 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248170078 160339600 /nfs/dbraw/zinc/33/96/00/160339600.db2.gz UOLNVVOPZDILMH-IEBWSBKVSA-N 2 2 345.487 2.070 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000248170078 160339602 /nfs/dbraw/zinc/33/96/02/160339602.db2.gz UOLNVVOPZDILMH-IEBWSBKVSA-N 2 2 345.487 2.070 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248170078 160339604 /nfs/dbraw/zinc/33/96/04/160339604.db2.gz UOLNVVOPZDILMH-IEBWSBKVSA-N 2 2 345.487 2.070 10 0 EEAELP Cn1ccnc1[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000342556198 161073659 /nfs/dbraw/zinc/07/36/59/161073659.db2.gz XGIDDJOANQUNOU-LJQANCHMSA-N 2 2 340.471 2.493 10 0 EEAELP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000352082180 162061287 /nfs/dbraw/zinc/06/12/87/162061287.db2.gz IGGQTJGNWLXJTI-FGTMMUONSA-N 2 2 337.895 2.130 10 0 EEAELP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000352082180 162061290 /nfs/dbraw/zinc/06/12/90/162061290.db2.gz IGGQTJGNWLXJTI-FGTMMUONSA-N 2 2 337.895 2.130 10 0 EEAELP C[N@H+](C[C@H](O)CN[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082180 162061292 /nfs/dbraw/zinc/06/12/92/162061292.db2.gz IGGQTJGNWLXJTI-FGTMMUONSA-N 2 2 337.895 2.130 10 0 EEAELP C[N@@H+](C[C@H](O)CN[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082180 162061295 /nfs/dbraw/zinc/06/12/95/162061295.db2.gz IGGQTJGNWLXJTI-FGTMMUONSA-N 2 2 337.895 2.130 10 0 EEAELP C[NH+](C[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082180 162061300 /nfs/dbraw/zinc/06/13/00/162061300.db2.gz IGGQTJGNWLXJTI-FGTMMUONSA-N 2 2 337.895 2.130 10 0 EEAELP COC(=O)[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000358861815 164002533 /nfs/dbraw/zinc/00/25/33/164002533.db2.gz YMINRZPJZMWRDR-QGZVFWFLSA-N 2 2 335.448 2.045 10 0 EEAELP COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000123953565 222357009 /nfs/dbraw/zinc/35/70/09/222357009.db2.gz FNQXZSDBVYUBRA-KBPBESRZSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000123953565 222357010 /nfs/dbraw/zinc/35/70/10/222357010.db2.gz FNQXZSDBVYUBRA-KBPBESRZSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000123953565 222357014 /nfs/dbraw/zinc/35/70/14/222357014.db2.gz FNQXZSDBVYUBRA-KBPBESRZSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000123953565 222357020 /nfs/dbraw/zinc/35/70/20/222357020.db2.gz FNQXZSDBVYUBRA-KBPBESRZSA-N 2 2 335.448 2.057 10 0 EEAELP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000247657283 292628213 /nfs/dbraw/zinc/62/82/13/292628213.db2.gz XIFQDWDFXXBCSS-OAGGEKHMSA-N 2 2 341.496 2.085 10 0 EEAELP CCC[C@@H](C)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182189453 274010670 /nfs/dbraw/zinc/01/06/70/274010670.db2.gz HXDJHJHKKSMEEH-SJORKVTESA-N 2 2 347.507 2.308 10 0 EEAELP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278144085 274337121 /nfs/dbraw/zinc/33/71/21/274337121.db2.gz AVDWEDZRIUYTPR-UONOGXRCSA-N 2 2 343.479 2.036 10 0 EEAELP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278144085 274337124 /nfs/dbraw/zinc/33/71/24/274337124.db2.gz AVDWEDZRIUYTPR-UONOGXRCSA-N 2 2 343.479 2.036 10 0 EEAELP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000289521595 275124075 /nfs/dbraw/zinc/12/40/75/275124075.db2.gz DSOYSJOUQWJESG-UHFFFAOYSA-N 2 2 326.444 2.344 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292057201 275369207 /nfs/dbraw/zinc/36/92/07/275369207.db2.gz CCNYGVONGVJUCS-YRNRMSPPSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292057201 275369209 /nfs/dbraw/zinc/36/92/09/275369209.db2.gz CCNYGVONGVJUCS-YRNRMSPPSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292057201 275369210 /nfs/dbraw/zinc/36/92/10/275369210.db2.gz CCNYGVONGVJUCS-YRNRMSPPSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292057201 275369211 /nfs/dbraw/zinc/36/92/11/275369211.db2.gz CCNYGVONGVJUCS-YRNRMSPPSA-N 2 2 345.487 2.289 10 0 EEAELP CCC[C@H](C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1)[NH+](C)C ZINC000161563996 276282518 /nfs/dbraw/zinc/28/25/18/276282518.db2.gz VDTQEISWHXJWMF-LJQANCHMSA-N 2 2 346.519 2.493 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000133246953 277135945 /nfs/dbraw/zinc/13/59/45/277135945.db2.gz HNTRGWOSJVNGIO-IAGOWNOFSA-N 2 2 337.414 2.168 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000133246953 277135946 /nfs/dbraw/zinc/13/59/46/277135946.db2.gz HNTRGWOSJVNGIO-IAGOWNOFSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@]1(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]C1 ZINC000261946450 280154483 /nfs/dbraw/zinc/15/44/83/280154483.db2.gz FJQRGONSZHCMHE-ZDUSSCGKSA-N 2 2 349.426 2.069 10 0 EEAELP C[C@]1(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]C1 ZINC000261946450 280154485 /nfs/dbraw/zinc/15/44/85/280154485.db2.gz FJQRGONSZHCMHE-ZDUSSCGKSA-N 2 2 349.426 2.069 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2OC)CC1 ZINC000179903577 311454842 /nfs/dbraw/zinc/45/48/42/311454842.db2.gz PRQGZMNVLGKLAO-KGLIPLIRSA-N 2 2 337.439 2.038 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000341410376 312261229 /nfs/dbraw/zinc/26/12/29/312261229.db2.gz XCKLYTLKLNNHLL-HOTGVXAUSA-N 2 2 333.480 2.446 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414126687 312973060 /nfs/dbraw/zinc/97/30/60/312973060.db2.gz OSGMIMRCUVCSHZ-CYBMUJFWSA-N 2 2 336.461 2.075 10 0 EEAELP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000417924385 313651212 /nfs/dbraw/zinc/65/12/12/313651212.db2.gz MEPAMANREBPZGX-PBHICJAKSA-N 2 2 339.443 2.179 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC34CCC4)CC2)CC1 ZINC000445018906 315337705 /nfs/dbraw/zinc/33/77/05/315337705.db2.gz LPPHJMDYHXYNSD-UHFFFAOYSA-N 2 2 334.508 2.273 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000528420770 317381761 /nfs/dbraw/zinc/38/17/61/317381761.db2.gz BKFNCIXLTWQEKV-OAHLLOKOSA-N 2 2 328.416 2.223 10 0 EEAELP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Cn1cc[nH+]c1 ZINC000552721844 318514835 /nfs/dbraw/zinc/51/48/35/318514835.db2.gz RSLNRXALEWYVKO-UHFFFAOYSA-N 2 2 327.432 2.043 10 0 EEAELP C[C@@H]1CN(c2ccc(CNC(=O)CCCC[NH+](C)C)c[nH+]2)C[C@@H](C)O1 ZINC000556935841 318661989 /nfs/dbraw/zinc/66/19/89/318661989.db2.gz FDSUUAOHWTXZDH-HZPDHXFCSA-N 2 2 348.491 2.043 10 0 EEAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000563580589 319024769 /nfs/dbraw/zinc/02/47/69/319024769.db2.gz JHGZGZCOHQKPAL-HNNXBMFYSA-N 2 2 343.406 2.047 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000564986066 319136148 /nfs/dbraw/zinc/13/61/48/319136148.db2.gz DIDXHSUIXJJERW-YZVOILCLSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000564986066 319136151 /nfs/dbraw/zinc/13/61/51/319136151.db2.gz DIDXHSUIXJJERW-YZVOILCLSA-N 2 2 333.451 2.467 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000566292458 319270614 /nfs/dbraw/zinc/27/06/14/319270614.db2.gz XBVJFVDDMACLTJ-MRXNPFEDSA-N 2 2 344.434 2.175 10 0 EEAELP C[C@H](OC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000567043357 319342319 /nfs/dbraw/zinc/34/23/19/319342319.db2.gz RREMPYWUCSFBKG-GUYCJALGSA-N 2 2 337.851 2.344 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000576047454 320136603 /nfs/dbraw/zinc/13/66/03/320136603.db2.gz NRPGQLVNWLRWJV-FHERZECASA-N 2 2 331.464 2.316 10 0 EEAELP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000576766201 320202223 /nfs/dbraw/zinc/20/22/23/320202223.db2.gz SGLLSOUURXZAAC-AEFFLSMTSA-N 2 2 345.487 2.006 10 0 EEAELP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000576766201 320202224 /nfs/dbraw/zinc/20/22/24/320202224.db2.gz SGLLSOUURXZAAC-AEFFLSMTSA-N 2 2 345.487 2.006 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NC3CC([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000581535556 324273160 /nfs/dbraw/zinc/27/31/60/324273160.db2.gz SWGOFINCDCMMLK-NJINODPHSA-N 2 2 345.491 2.113 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NC3CC([NH+]4CCCCC4)C3)[nH+]cn2)C1 ZINC000581535556 324273164 /nfs/dbraw/zinc/27/31/64/324273164.db2.gz SWGOFINCDCMMLK-NJINODPHSA-N 2 2 345.491 2.113 10 0 EEAELP CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000582774790 324525417 /nfs/dbraw/zinc/52/54/17/324525417.db2.gz VIZBHORHJZHDEN-SJPCQFCGSA-N 2 2 339.443 2.297 10 0 EEAELP CC[NH+]1CCN(c2ccc(CNc3nc(C)[nH+]cc3C)cn2)CC1 ZINC000517586770 448597559 /nfs/dbraw/zinc/59/75/59/448597559.db2.gz UQDBOBREBDZVBA-UHFFFAOYSA-N 2 2 326.448 2.242 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)s1 ZINC000347852759 465265999 /nfs/dbraw/zinc/26/59/99/465265999.db2.gz KGTKRHQNUNNTAB-GFCCVEGCSA-N 2 2 325.478 2.368 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)s1 ZINC000347852759 465266004 /nfs/dbraw/zinc/26/60/04/465266004.db2.gz KGTKRHQNUNNTAB-GFCCVEGCSA-N 2 2 325.478 2.368 10 0 EEAELP C[C@@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074125251 462558410 /nfs/dbraw/zinc/55/84/10/462558410.db2.gz PHSHBRILLQGGSN-SJORKVTESA-N 2 2 336.524 2.425 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cn21 ZINC000113620303 462607571 /nfs/dbraw/zinc/60/75/71/462607571.db2.gz YOWANVKBZFMSCE-HOCLYGCPSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cn21 ZINC000113620303 462607576 /nfs/dbraw/zinc/60/75/76/462607576.db2.gz YOWANVKBZFMSCE-HOCLYGCPSA-N 2 2 327.432 2.021 10 0 EEAELP C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@H]1C ZINC000074767402 462632875 /nfs/dbraw/zinc/63/28/75/462632875.db2.gz HYHNQSDWUXNERH-CALCHBBNSA-N 2 2 336.524 2.234 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000089702168 462710117 /nfs/dbraw/zinc/71/01/17/462710117.db2.gz HIROOLIMVQLUOJ-WMZOPIPTSA-N 2 2 342.418 2.255 10 0 EEAELP CC[C@H](SC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000132779938 462878782 /nfs/dbraw/zinc/87/87/82/462878782.db2.gz AKODJFMYQIOQIV-HNNXBMFYSA-N 2 2 327.538 2.195 10 0 EEAELP C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)(C)C[NH+](C)C ZINC000120615921 463018465 /nfs/dbraw/zinc/01/84/65/463018465.db2.gz IFEQTNLNNBEFCV-JKSUJKDBSA-N 2 2 349.523 2.361 10 0 EEAELP CC(C)C[NH+]1CCN(C(=O)CCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000096102094 463173141 /nfs/dbraw/zinc/17/31/41/463173141.db2.gz XBWVOVHWALLHAR-UHFFFAOYSA-N 2 2 344.503 2.415 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000121662333 463174632 /nfs/dbraw/zinc/17/46/32/463174632.db2.gz AVILULIQGSJLFV-INIZCTEOSA-N 2 2 335.496 2.316 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000121662333 463174638 /nfs/dbraw/zinc/17/46/38/463174638.db2.gz AVILULIQGSJLFV-INIZCTEOSA-N 2 2 335.496 2.316 10 0 EEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000136192081 463226161 /nfs/dbraw/zinc/22/61/61/463226161.db2.gz JZPNSVCRYWRMOQ-KRWDZBQOSA-N 2 2 326.444 2.173 10 0 EEAELP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000069813286 463330134 /nfs/dbraw/zinc/33/01/34/463330134.db2.gz WUKSVWTTZNKXDU-RTBURBONSA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000069813286 463330141 /nfs/dbraw/zinc/33/01/41/463330141.db2.gz WUKSVWTTZNKXDU-RTBURBONSA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069813286 463330143 /nfs/dbraw/zinc/33/01/43/463330143.db2.gz WUKSVWTTZNKXDU-RTBURBONSA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000069813286 463330148 /nfs/dbraw/zinc/33/01/48/463330148.db2.gz WUKSVWTTZNKXDU-RTBURBONSA-N 2 2 342.487 2.133 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)C1 ZINC000081096621 463394371 /nfs/dbraw/zinc/39/43/71/463394371.db2.gz MXBZUJDKKJYYPL-APWZRJJASA-N 2 2 342.487 2.285 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)C1 ZINC000081096621 463394374 /nfs/dbraw/zinc/39/43/74/463394374.db2.gz MXBZUJDKKJYYPL-APWZRJJASA-N 2 2 342.487 2.285 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)C1 ZINC000081096621 463394376 /nfs/dbraw/zinc/39/43/76/463394376.db2.gz MXBZUJDKKJYYPL-APWZRJJASA-N 2 2 342.487 2.285 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)C1 ZINC000081096621 463394383 /nfs/dbraw/zinc/39/43/83/463394383.db2.gz MXBZUJDKKJYYPL-APWZRJJASA-N 2 2 342.487 2.285 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000124220293 463400179 /nfs/dbraw/zinc/40/01/79/463400179.db2.gz XGNLGXPNQMLEDD-ZDUSSCGKSA-N 2 2 332.370 2.006 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000124220293 463400185 /nfs/dbraw/zinc/40/01/85/463400185.db2.gz XGNLGXPNQMLEDD-ZDUSSCGKSA-N 2 2 332.370 2.006 10 0 EEAELP CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[NH+](C)C ZINC000161766688 463456459 /nfs/dbraw/zinc/45/64/59/463456459.db2.gz LTCFPBMNMOCUPQ-GOSISDBHSA-N 2 2 332.492 2.103 10 0 EEAELP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151276276 463505783 /nfs/dbraw/zinc/50/57/83/463505783.db2.gz ATEGVCAGQYZPAF-SJORKVTESA-N 2 2 334.460 2.345 10 0 EEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000106426168 463515030 /nfs/dbraw/zinc/51/50/30/463515030.db2.gz QBTAARUUFHYHIU-SJORKVTESA-N 2 2 329.444 2.171 10 0 EEAELP CN(C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1[nH]c2ccccc2[nH+]1 ZINC000151910893 463612300 /nfs/dbraw/zinc/61/23/00/463612300.db2.gz ZISXXKWEVRXEFL-KRWDZBQOSA-N 2 2 336.439 2.418 10 0 EEAELP CN(C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1[nH]c2ccccc2[nH+]1 ZINC000151910893 463612301 /nfs/dbraw/zinc/61/23/01/463612301.db2.gz ZISXXKWEVRXEFL-KRWDZBQOSA-N 2 2 336.439 2.418 10 0 EEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255145437 463707673 /nfs/dbraw/zinc/70/76/73/463707673.db2.gz MZQWKSOWJVMNDS-DFOOEPSASA-N 2 2 343.515 2.427 10 0 EEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255145437 463707693 /nfs/dbraw/zinc/70/76/93/463707693.db2.gz MZQWKSOWJVMNDS-DFOOEPSASA-N 2 2 343.515 2.427 10 0 EEAELP Cc1cc2c(ncnc2N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000261796026 463862533 /nfs/dbraw/zinc/86/25/33/463862533.db2.gz GODHQJLIELOHHH-CQSZACIVSA-N 2 2 331.489 2.121 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000262038402 463931083 /nfs/dbraw/zinc/93/10/83/463931083.db2.gz YEJUZUUZMXWXTA-HAGHYFMRSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000262038402 463931090 /nfs/dbraw/zinc/93/10/90/463931090.db2.gz YEJUZUUZMXWXTA-HAGHYFMRSA-N 2 2 329.488 2.008 10 0 EEAELP COc1ccc(Cl)cc1CN1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262110895 463949397 /nfs/dbraw/zinc/94/93/97/463949397.db2.gz WHSXWNLLCUKLBE-SFHVURJKSA-N 2 2 337.895 2.466 10 0 EEAELP CCO[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCOCC2 ZINC000186237958 463959235 /nfs/dbraw/zinc/95/92/35/463959235.db2.gz JCIOWDUEIQYUPI-SJORKVTESA-N 2 2 342.443 2.331 10 0 EEAELP Cc1csc(=O)n1CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278124 464029696 /nfs/dbraw/zinc/02/96/96/464029696.db2.gz PEPWSZVINFKZNJ-QGZVFWFLSA-N 2 2 346.500 2.067 10 0 EEAELP Cc1csc(=O)n1CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278124 464029701 /nfs/dbraw/zinc/02/97/01/464029701.db2.gz PEPWSZVINFKZNJ-QGZVFWFLSA-N 2 2 346.500 2.067 10 0 EEAELP Cc1csc(=O)n1CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278124 464029703 /nfs/dbraw/zinc/02/97/03/464029703.db2.gz PEPWSZVINFKZNJ-QGZVFWFLSA-N 2 2 346.500 2.067 10 0 EEAELP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278124 464029706 /nfs/dbraw/zinc/02/97/06/464029706.db2.gz PEPWSZVINFKZNJ-QGZVFWFLSA-N 2 2 346.500 2.067 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279143672 464042886 /nfs/dbraw/zinc/04/28/86/464042886.db2.gz DJSHUBPGOMZIRC-UHFFFAOYSA-N 2 2 327.432 2.123 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000292261040 464176346 /nfs/dbraw/zinc/17/63/46/464176346.db2.gz YOZKXVQDWZQTHL-YZVOILCLSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000292261040 464176352 /nfs/dbraw/zinc/17/63/52/464176352.db2.gz YOZKXVQDWZQTHL-YZVOILCLSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(F)cc1 ZINC000292261040 464176356 /nfs/dbraw/zinc/17/63/56/464176356.db2.gz YOZKXVQDWZQTHL-YZVOILCLSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(F)cc1 ZINC000292261040 464176360 /nfs/dbraw/zinc/17/63/60/464176360.db2.gz YOZKXVQDWZQTHL-YZVOILCLSA-N 2 2 333.451 2.419 10 0 EEAELP Cn1ccnc1[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCOCC1 ZINC000284399613 464178830 /nfs/dbraw/zinc/17/88/30/464178830.db2.gz CAVXDMIJEIIENC-QGZVFWFLSA-N 2 2 325.416 2.325 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000237956735 464410093 /nfs/dbraw/zinc/41/00/93/464410093.db2.gz AJBLQHNHCWYUOX-PBFPGSCMSA-N 2 2 337.414 2.173 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000237956735 464410095 /nfs/dbraw/zinc/41/00/95/464410095.db2.gz AJBLQHNHCWYUOX-PBFPGSCMSA-N 2 2 337.414 2.173 10 0 EEAELP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000237978181 464414623 /nfs/dbraw/zinc/41/46/23/464414623.db2.gz RRXBRAYDTIKNAS-QYZOEREBSA-N 2 2 327.472 2.252 10 0 EEAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000174896554 464466545 /nfs/dbraw/zinc/46/65/45/464466545.db2.gz XDTRZNTVIUXMMJ-INIZCTEOSA-N 2 2 328.460 2.430 10 0 EEAELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000174896554 464466552 /nfs/dbraw/zinc/46/65/52/464466552.db2.gz XDTRZNTVIUXMMJ-INIZCTEOSA-N 2 2 328.460 2.430 10 0 EEAELP CC[NH+](CC)Cc1nc(C2(NCc3[nH+]ccn3C)CCCC2)no1 ZINC000265647184 464631494 /nfs/dbraw/zinc/63/14/94/464631494.db2.gz XKFNNMXUCNVTFG-UHFFFAOYSA-N 2 2 332.452 2.204 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247259070 464661948 /nfs/dbraw/zinc/66/19/48/464661948.db2.gz VFLSWTZTKRRSFV-QFBILLFUSA-N 2 2 347.503 2.316 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247259070 464661952 /nfs/dbraw/zinc/66/19/52/464661952.db2.gz VFLSWTZTKRRSFV-QFBILLFUSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247259070 464661957 /nfs/dbraw/zinc/66/19/57/464661957.db2.gz VFLSWTZTKRRSFV-QFBILLFUSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247259070 464661962 /nfs/dbraw/zinc/66/19/62/464661962.db2.gz VFLSWTZTKRRSFV-QFBILLFUSA-N 2 2 347.503 2.316 10 0 EEAELP C[C@@H](CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000182668608 464705667 /nfs/dbraw/zinc/70/56/67/464705667.db2.gz OMTBBIWQKNWPGM-IRXDYDNUSA-N 2 2 333.480 2.322 10 0 EEAELP COC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275441019 464774703 /nfs/dbraw/zinc/77/47/03/464774703.db2.gz FWRGLBGBEJYBND-ZIFCJYIRSA-N 2 2 329.444 2.488 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC000177130094 464939529 /nfs/dbraw/zinc/93/95/29/464939529.db2.gz FEXMHUOUJBSKPU-ONEGZZNKSA-N 2 2 333.451 2.371 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000298308490 465360075 /nfs/dbraw/zinc/36/00/75/465360075.db2.gz DWKCNMUQQRSYDL-UHFFFAOYSA-N 2 2 329.448 2.354 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000298308490 465360081 /nfs/dbraw/zinc/36/00/81/465360081.db2.gz DWKCNMUQQRSYDL-UHFFFAOYSA-N 2 2 329.448 2.354 10 0 EEAELP C[C@H]1CN(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000337493333 465397202 /nfs/dbraw/zinc/39/72/02/465397202.db2.gz PDKUNDJBLDMRPA-DLBZAZTESA-N 2 2 332.492 2.120 10 0 EEAELP C[C@H]1CN(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000337493333 465397208 /nfs/dbraw/zinc/39/72/08/465397208.db2.gz PDKUNDJBLDMRPA-DLBZAZTESA-N 2 2 332.492 2.120 10 0 EEAELP O=C1NCCC[C@@H]1[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000362318621 465653041 /nfs/dbraw/zinc/65/30/41/465653041.db2.gz DPRCRLVDRJAHMF-QRVBRYPASA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000362318621 465653045 /nfs/dbraw/zinc/65/30/45/465653045.db2.gz DPRCRLVDRJAHMF-QRVBRYPASA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000362318621 465653048 /nfs/dbraw/zinc/65/30/48/465653048.db2.gz DPRCRLVDRJAHMF-QRVBRYPASA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000362318621 465653052 /nfs/dbraw/zinc/65/30/52/465653052.db2.gz DPRCRLVDRJAHMF-QRVBRYPASA-N 2 2 327.472 2.252 10 0 EEAELP CC[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000362406742 465712782 /nfs/dbraw/zinc/71/27/82/465712782.db2.gz UYDDFXYUZVGAQA-IAGOWNOFSA-N 2 2 337.508 2.011 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000353289276 465772437 /nfs/dbraw/zinc/77/24/37/465772437.db2.gz YZHVKLYTULPHTH-UHFFFAOYSA-N 2 2 347.503 2.298 10 0 EEAELP C[C@H](CS(C)(=O)=O)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346202456 465988122 /nfs/dbraw/zinc/98/81/22/465988122.db2.gz JEMYNLIRAHNGFO-GFCCVEGCSA-N 2 2 339.486 2.331 10 0 EEAELP C[C@H](CS(C)(=O)=O)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346202456 465988125 /nfs/dbraw/zinc/98/81/25/465988125.db2.gz JEMYNLIRAHNGFO-GFCCVEGCSA-N 2 2 339.486 2.331 10 0 EEAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000353670516 466052766 /nfs/dbraw/zinc/05/27/66/466052766.db2.gz LNAHXYYUQDYFOM-INIZCTEOSA-N 2 2 341.455 2.303 10 0 EEAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000353670516 466052777 /nfs/dbraw/zinc/05/27/77/466052777.db2.gz LNAHXYYUQDYFOM-INIZCTEOSA-N 2 2 341.455 2.303 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000340787534 466334517 /nfs/dbraw/zinc/33/45/17/466334517.db2.gz AHTYFVFDYKKEHR-IZZQQSIFSA-N 2 2 333.520 2.489 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccco1 ZINC000363319015 466344189 /nfs/dbraw/zinc/34/41/89/466344189.db2.gz ZQZZXHSTSNNMLW-HNNXBMFYSA-N 2 2 331.420 2.195 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccco1 ZINC000363319015 466344194 /nfs/dbraw/zinc/34/41/94/466344194.db2.gz ZQZZXHSTSNNMLW-HNNXBMFYSA-N 2 2 331.420 2.195 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000367623595 466455791 /nfs/dbraw/zinc/45/57/91/466455791.db2.gz PVJQDUMRTCSULZ-RBUKOAKNSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000367623595 466455800 /nfs/dbraw/zinc/45/58/00/466455800.db2.gz PVJQDUMRTCSULZ-RBUKOAKNSA-N 2 2 331.504 2.304 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CC=C(C)CC2)c[nH+]1 ZINC000358180775 466519216 /nfs/dbraw/zinc/51/92/16/466519216.db2.gz BNUUVIJYHSVJFV-UHFFFAOYSA-N 2 2 345.491 2.379 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)NCC[N@@H+]2CC=C(C)CC2)c[nH+]1 ZINC000358180775 466519226 /nfs/dbraw/zinc/51/92/26/466519226.db2.gz BNUUVIJYHSVJFV-UHFFFAOYSA-N 2 2 345.491 2.379 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000368582884 466676423 /nfs/dbraw/zinc/67/64/23/466676423.db2.gz MFGSXKBISMMABQ-KRWDZBQOSA-N 2 2 337.508 2.012 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1([NH+]2CCOCC2)CCC1 ZINC000368582884 466676428 /nfs/dbraw/zinc/67/64/28/466676428.db2.gz MFGSXKBISMMABQ-KRWDZBQOSA-N 2 2 337.508 2.012 10 0 EEAELP CN(C(=O)c1cc[nH]c1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375053830 466787468 /nfs/dbraw/zinc/78/74/68/466787468.db2.gz ZTTHPUCBYBVHBA-INIZCTEOSA-N 2 2 330.476 2.133 10 0 EEAELP CN(C(=O)c1cc[nH]c1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375053830 466787472 /nfs/dbraw/zinc/78/74/72/466787472.db2.gz ZTTHPUCBYBVHBA-INIZCTEOSA-N 2 2 330.476 2.133 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000370226013 466803534 /nfs/dbraw/zinc/80/35/34/466803534.db2.gz AWBQLJNWPBCVQY-GJZGRUSLSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000370226013 466803538 /nfs/dbraw/zinc/80/35/38/466803538.db2.gz AWBQLJNWPBCVQY-GJZGRUSLSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000370226013 466803542 /nfs/dbraw/zinc/80/35/42/466803542.db2.gz AWBQLJNWPBCVQY-GJZGRUSLSA-N 2 2 333.480 2.419 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C[NH3+])C2CC2)c(C)c1 ZINC000417943239 466996351 /nfs/dbraw/zinc/99/63/51/466996351.db2.gz UUBQOZQOOJCGKY-MSOLQXFVSA-N 2 2 341.459 2.278 10 0 EEAELP COCC(C)(C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000412149385 467026084 /nfs/dbraw/zinc/02/60/84/467026084.db2.gz VZZLOGRGJJDWHJ-UHFFFAOYSA-N 2 2 339.524 2.116 10 0 EEAELP Clc1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(-n2cncn2)c1 ZINC000377788574 467140584 /nfs/dbraw/zinc/14/05/84/467140584.db2.gz XHACERKBIKHYOA-ZDUSSCGKSA-N 2 2 328.807 2.291 10 0 EEAELP Clc1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(-n2cncn2)c1 ZINC000377788574 467140588 /nfs/dbraw/zinc/14/05/88/467140588.db2.gz XHACERKBIKHYOA-ZDUSSCGKSA-N 2 2 328.807 2.291 10 0 EEAELP O=C(Nc1ccn2cc[nH+]c2c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000377802928 467142842 /nfs/dbraw/zinc/14/28/42/467142842.db2.gz PIPRCHJCBCCWQW-INIZCTEOSA-N 2 2 343.431 2.053 10 0 EEAELP C[C@@H]1CN(Cc2noc(C[NH3+])n2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404340721 467474378 /nfs/dbraw/zinc/47/43/78/467474378.db2.gz SNDMDKWDJQZFTB-RBSFLKMASA-N 2 2 329.448 2.012 10 0 EEAELP C[C@@H]1CN(Cc2noc(C[NH3+])n2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404340721 467474379 /nfs/dbraw/zinc/47/43/79/467474379.db2.gz SNDMDKWDJQZFTB-RBSFLKMASA-N 2 2 329.448 2.012 10 0 EEAELP CN(Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000420910116 467511082 /nfs/dbraw/zinc/51/10/82/467511082.db2.gz DRLNKNITFADQOP-HXUWFJFHSA-N 2 2 329.488 2.187 10 0 EEAELP CN(Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000420910116 467511085 /nfs/dbraw/zinc/51/10/85/467511085.db2.gz DRLNKNITFADQOP-HXUWFJFHSA-N 2 2 329.488 2.187 10 0 EEAELP C[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000420910116 467511088 /nfs/dbraw/zinc/51/10/88/467511088.db2.gz DRLNKNITFADQOP-HXUWFJFHSA-N 2 2 329.488 2.187 10 0 EEAELP C[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCN(C2CC2)C1 ZINC000420910116 467511093 /nfs/dbraw/zinc/51/10/93/467511093.db2.gz DRLNKNITFADQOP-HXUWFJFHSA-N 2 2 329.488 2.187 10 0 EEAELP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449397049 467638407 /nfs/dbraw/zinc/63/84/07/467638407.db2.gz UJMBDPANRVVHGV-GOSISDBHSA-N 2 2 328.460 2.322 10 0 EEAELP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449397049 467638409 /nfs/dbraw/zinc/63/84/09/467638409.db2.gz UJMBDPANRVVHGV-GOSISDBHSA-N 2 2 328.460 2.322 10 0 EEAELP CCCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449396846 467638657 /nfs/dbraw/zinc/63/86/57/467638657.db2.gz SYZJZGOVTIOQNK-QGZVFWFLSA-N 2 2 336.476 2.420 10 0 EEAELP CCCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449396846 467638662 /nfs/dbraw/zinc/63/86/62/467638662.db2.gz SYZJZGOVTIOQNK-QGZVFWFLSA-N 2 2 336.476 2.420 10 0 EEAELP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457779145 467702628 /nfs/dbraw/zinc/70/26/28/467702628.db2.gz FGSXHQVBSMJMMD-QGZVFWFLSA-N 2 2 345.491 2.176 10 0 EEAELP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457779145 467702631 /nfs/dbraw/zinc/70/26/31/467702631.db2.gz FGSXHQVBSMJMMD-QGZVFWFLSA-N 2 2 345.491 2.176 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cn1c[nH+]cc1C ZINC000528704157 467733246 /nfs/dbraw/zinc/73/32/46/467733246.db2.gz RQRURLHZMRIWBB-UHFFFAOYSA-N 2 2 341.459 2.352 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000528934796 467781986 /nfs/dbraw/zinc/78/19/86/467781986.db2.gz UKFKFKMTWUMOKW-WBVHZDCISA-N 2 2 334.370 2.031 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000528934796 467781989 /nfs/dbraw/zinc/78/19/89/467781989.db2.gz UKFKFKMTWUMOKW-WBVHZDCISA-N 2 2 334.370 2.031 10 0 EEAELP CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[N@@H+]1Cc1ccccc1 ZINC000529033552 467797740 /nfs/dbraw/zinc/79/77/40/467797740.db2.gz LFYDYAQYMWJJQY-GOSISDBHSA-N 2 2 326.444 2.315 10 0 EEAELP CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[N@H+]1Cc1ccccc1 ZINC000529033552 467797744 /nfs/dbraw/zinc/79/77/44/467797744.db2.gz LFYDYAQYMWJJQY-GOSISDBHSA-N 2 2 326.444 2.315 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@H](c1ccccc1)N1CCOCC1 ZINC000530217344 467964023 /nfs/dbraw/zinc/96/40/23/467964023.db2.gz GBAIHBDLWMYQQD-YTQUADARSA-N 2 2 329.488 2.323 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000530223651 467965047 /nfs/dbraw/zinc/96/50/47/467965047.db2.gz UCZPWQACNLRWBC-WMLDXEAASA-N 2 2 349.500 2.162 10 0 EEAELP CCN(Cc1ccc(C[NH+](C)C)cc1)c1nc(C)[nH+]c(N(C)C)n1 ZINC000488409812 468085811 /nfs/dbraw/zinc/08/58/11/468085811.db2.gz SBFXADDJAGAEHF-UHFFFAOYSA-N 2 2 328.464 2.334 10 0 EEAELP CCN(Cc1ccc(C[NH+](C)C)cc1)c1nc(N(C)C)nc(C)[nH+]1 ZINC000488409812 468085814 /nfs/dbraw/zinc/08/58/14/468085814.db2.gz SBFXADDJAGAEHF-UHFFFAOYSA-N 2 2 328.464 2.334 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000567550935 468172761 /nfs/dbraw/zinc/17/27/61/468172761.db2.gz XBGVTDJRZURVER-SFHVURJKSA-N 2 2 326.444 2.662 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000567550935 468172762 /nfs/dbraw/zinc/17/27/62/468172762.db2.gz XBGVTDJRZURVER-SFHVURJKSA-N 2 2 326.444 2.662 10 0 EEAELP C[C@H](c1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C)c1)[NH+]1CCOCC1 ZINC000520602237 468261671 /nfs/dbraw/zinc/26/16/71/468261671.db2.gz CJQUOTBZGBYHRM-QAPCUYQASA-N 2 2 346.475 2.296 10 0 EEAELP C[C@H](c1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C)c1)[NH+]1CCOCC1 ZINC000520602237 468261677 /nfs/dbraw/zinc/26/16/77/468261677.db2.gz CJQUOTBZGBYHRM-QAPCUYQASA-N 2 2 346.475 2.296 10 0 EEAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N[C@H](c1ccccc1)C1CC1 ZINC000569724142 468535465 /nfs/dbraw/zinc/53/54/65/468535465.db2.gz ZLPMDRZBARSJTM-UXHICEINSA-N 2 2 327.472 2.329 10 0 EEAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N[C@H](c1ccccc1)C1CC1 ZINC000569724142 468535471 /nfs/dbraw/zinc/53/54/71/468535471.db2.gz ZLPMDRZBARSJTM-UXHICEINSA-N 2 2 327.472 2.329 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000570513027 468650210 /nfs/dbraw/zinc/65/02/10/468650210.db2.gz WGIKNBKPJMOQSW-QMMBQJITSA-N 2 2 340.418 2.135 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000570513027 468650215 /nfs/dbraw/zinc/65/02/15/468650215.db2.gz WGIKNBKPJMOQSW-QMMBQJITSA-N 2 2 340.418 2.135 10 0 EEAELP CCCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(=O)OC ZINC000594709313 468659153 /nfs/dbraw/zinc/65/91/53/468659153.db2.gz GTHPPODAJMDZEH-QGZVFWFLSA-N 2 2 326.481 2.199 10 0 EEAELP COC(=O)[C@@H]1C[C@H]1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000594931053 468724608 /nfs/dbraw/zinc/72/46/08/468724608.db2.gz KTGGFSWKDWMZAP-XOKHGSTOSA-N 2 2 346.475 2.222 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000571051378 468733336 /nfs/dbraw/zinc/73/33/36/468733336.db2.gz UTZXSTIIUJSFRZ-UHFFFAOYSA-N 2 2 328.460 2.132 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000571592607 468809421 /nfs/dbraw/zinc/80/94/21/468809421.db2.gz UAUZXCFEMCPYRT-NSHDSACASA-N 2 2 346.341 2.220 10 0 EEAELP CC[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H](C)[S@@]1=O ZINC000561962689 468913668 /nfs/dbraw/zinc/91/36/68/468913668.db2.gz DVUGEITYERLAGZ-MBSYMSIGSA-N 2 2 332.473 2.307 10 0 EEAELP CC[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H](C)[S@@]1=O ZINC000561962689 468913671 /nfs/dbraw/zinc/91/36/71/468913671.db2.gz DVUGEITYERLAGZ-MBSYMSIGSA-N 2 2 332.473 2.307 10 0 EEAELP COC(=O)[C@H](c1cccc(OC)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000595676868 468950682 /nfs/dbraw/zinc/95/06/82/468950682.db2.gz PSAKRKPDAITQEZ-KRWDZBQOSA-N 2 2 331.416 2.207 10 0 EEAELP COC(=O)[C@H](c1cccc(OC)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000595676868 468950683 /nfs/dbraw/zinc/95/06/83/468950683.db2.gz PSAKRKPDAITQEZ-KRWDZBQOSA-N 2 2 331.416 2.207 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000625834926 469404725 /nfs/dbraw/zinc/40/47/25/469404725.db2.gz MECFXUUFDBBDOV-UONOGXRCSA-N 2 2 337.493 2.391 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000629526521 469573162 /nfs/dbraw/zinc/57/31/62/469573162.db2.gz XLMDVPSULCJFKF-UHOFOFEASA-N 2 2 325.478 2.239 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1ccccc1C[NH+](C)C)CC2 ZINC000623521523 469683060 /nfs/dbraw/zinc/68/30/60/469683060.db2.gz XBFOKJRMDCIUBP-OAHLLOKOSA-N 2 2 326.444 2.132 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526627 469684709 /nfs/dbraw/zinc/68/47/09/469684709.db2.gz KIGGKEKCNFJBHD-QGZVFWFLSA-N 3 2 334.508 2.375 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623526627 469684715 /nfs/dbraw/zinc/68/47/15/469684715.db2.gz KIGGKEKCNFJBHD-QGZVFWFLSA-N 3 2 334.508 2.375 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000623640991 469720242 /nfs/dbraw/zinc/72/02/42/469720242.db2.gz DLEILZDFSHUQNU-MRXNPFEDSA-N 2 2 326.444 2.202 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[NH2+]1 ZINC000626932793 469760026 /nfs/dbraw/zinc/76/00/26/469760026.db2.gz ZZOQCULRDOTVER-ZBFHGGJFSA-N 2 2 331.464 2.012 10 0 EEAELP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cn(C)c2ccccc12 ZINC000617764918 469796368 /nfs/dbraw/zinc/79/63/68/469796368.db2.gz LTJYZWZCJXLENJ-MRXNPFEDSA-N 2 2 344.503 2.282 10 0 EEAELP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cn(C)c2ccccc12 ZINC000617764918 469796373 /nfs/dbraw/zinc/79/63/73/469796373.db2.gz LTJYZWZCJXLENJ-MRXNPFEDSA-N 2 2 344.503 2.282 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1SCCc2ccccc21 ZINC000617766565 469798030 /nfs/dbraw/zinc/79/80/30/469798030.db2.gz PMYNNHWIQHTFPG-KRWDZBQOSA-N 2 2 335.517 2.017 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1SCCc2ccccc21 ZINC000617766565 469798034 /nfs/dbraw/zinc/79/80/34/469798034.db2.gz PMYNNHWIQHTFPG-KRWDZBQOSA-N 2 2 335.517 2.017 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627129444 469821037 /nfs/dbraw/zinc/82/10/37/469821037.db2.gz JVLROHAZFXTJCK-HNNXBMFYSA-N 2 2 333.480 2.152 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000608511075 469831756 /nfs/dbraw/zinc/83/17/56/469831756.db2.gz NDFHIGIATPNCJX-LJQANCHMSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000608511075 469831760 /nfs/dbraw/zinc/83/17/60/469831760.db2.gz NDFHIGIATPNCJX-LJQANCHMSA-N 2 2 332.488 2.370 10 0 EEAELP CC[NH+]1CCN(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608727137 469867824 /nfs/dbraw/zinc/86/78/24/469867824.db2.gz CMRHIWHDRNYIOP-QGZVFWFLSA-N 2 2 341.459 2.051 10 0 EEAELP CC(C)C[NH+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630573787 469905798 /nfs/dbraw/zinc/90/57/98/469905798.db2.gz IVUSSNHLIQPZNU-UHFFFAOYSA-N 2 2 326.444 2.215 10 0 EEAELP CC[C@@H]1CN(C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000620898390 469943192 /nfs/dbraw/zinc/94/31/92/469943192.db2.gz ZZVGPEFSLOYBFU-TUAOUCFPSA-N 2 2 332.370 2.055 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000631183315 470088257 /nfs/dbraw/zinc/08/82/57/470088257.db2.gz OHQMFFKAHBSNLA-ICSRJNTNSA-N 2 2 346.471 2.055 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000625257199 470106524 /nfs/dbraw/zinc/10/65/24/470106524.db2.gz XUKZLXCTAYMSHF-ZIAGYGMSSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000625257199 470106528 /nfs/dbraw/zinc/10/65/28/470106528.db2.gz XUKZLXCTAYMSHF-ZIAGYGMSSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000625257199 470106529 /nfs/dbraw/zinc/10/65/29/470106529.db2.gz XUKZLXCTAYMSHF-ZIAGYGMSSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000625257199 470106533 /nfs/dbraw/zinc/10/65/33/470106533.db2.gz XUKZLXCTAYMSHF-ZIAGYGMSSA-N 2 2 337.430 2.449 10 0 EEAELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631321783 470120683 /nfs/dbraw/zinc/12/06/83/470120683.db2.gz MZASCSCNDBWJKG-QGZVFWFLSA-N 2 2 326.444 2.215 10 0 EEAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631321783 470120684 /nfs/dbraw/zinc/12/06/84/470120684.db2.gz MZASCSCNDBWJKG-QGZVFWFLSA-N 2 2 326.444 2.215 10 0 EEAELP C[C@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000634999626 470396792 /nfs/dbraw/zinc/39/67/92/470396792.db2.gz XCGHCXNFCNTHCQ-GWCFXTLKSA-N 2 2 325.250 2.411 10 0 EEAELP C[C@H]1C[N@@H+](Cc2cc(Br)cc3c2OCC3)C[C@@H]1C[NH3+] ZINC000634999626 470396796 /nfs/dbraw/zinc/39/67/96/470396796.db2.gz XCGHCXNFCNTHCQ-GWCFXTLKSA-N 2 2 325.250 2.411 10 0 EEAELP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000633377674 470445842 /nfs/dbraw/zinc/44/58/42/470445842.db2.gz RIOJULYZBRELKF-ZDUSSCGKSA-N 2 2 328.416 2.224 10 0 EEAELP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000633377674 470445846 /nfs/dbraw/zinc/44/58/46/470445846.db2.gz RIOJULYZBRELKF-ZDUSSCGKSA-N 2 2 328.416 2.224 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000645909784 470456496 /nfs/dbraw/zinc/45/64/96/470456496.db2.gz WUFQEADCJVNBLA-OKZBNKHCSA-N 2 2 348.535 2.377 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000645909784 470456500 /nfs/dbraw/zinc/45/65/00/470456500.db2.gz WUFQEADCJVNBLA-OKZBNKHCSA-N 2 2 348.535 2.377 10 0 EEAELP Cc1cc(C)c(NC(=O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000646104882 470527723 /nfs/dbraw/zinc/52/77/23/470527723.db2.gz SPGOLHZPAILKCH-UHFFFAOYSA-N 2 2 345.487 2.347 10 0 EEAELP Cc1cc(C)c(NC(=O)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000646104882 470527727 /nfs/dbraw/zinc/52/77/27/470527727.db2.gz SPGOLHZPAILKCH-UHFFFAOYSA-N 2 2 345.487 2.347 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000633767689 470585566 /nfs/dbraw/zinc/58/55/66/470585566.db2.gz WOGVYKIMFPDTAH-AWEZNQCLSA-N 2 2 340.349 2.321 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2(CCC2)CO1 ZINC000649822324 470708631 /nfs/dbraw/zinc/70/86/31/470708631.db2.gz CUBHECFJVCSXNQ-AEFFLSMTSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2(CCC2)CO1 ZINC000649822324 470708635 /nfs/dbraw/zinc/70/86/35/470708635.db2.gz CUBHECFJVCSXNQ-AEFFLSMTSA-N 2 2 345.487 2.049 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000635898018 470801994 /nfs/dbraw/zinc/80/19/94/470801994.db2.gz XBJXBEAEUHHRJP-RDJZCZTQSA-N 2 2 330.476 2.410 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000635898018 470801997 /nfs/dbraw/zinc/80/19/97/470801997.db2.gz XBJXBEAEUHHRJP-RDJZCZTQSA-N 2 2 330.476 2.410 10 0 EEAELP O=S1(=O)CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647169395 470847147 /nfs/dbraw/zinc/84/71/47/470847147.db2.gz LPQRQFANZUYQFX-QZTJIDSGSA-N 2 2 348.512 2.208 10 0 EEAELP O=S1(=O)CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647169395 470847151 /nfs/dbraw/zinc/84/71/51/470847151.db2.gz LPQRQFANZUYQFX-QZTJIDSGSA-N 2 2 348.512 2.208 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCF ZINC000647209125 470858925 /nfs/dbraw/zinc/85/89/25/470858925.db2.gz UXFJRHVQLZATFB-RDJZCZTQSA-N 2 2 333.451 2.247 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCF ZINC000647209125 470858929 /nfs/dbraw/zinc/85/89/29/470858929.db2.gz UXFJRHVQLZATFB-RDJZCZTQSA-N 2 2 333.451 2.247 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cccc3c2CCC3)C1=O ZINC000651759494 471106767 /nfs/dbraw/zinc/10/67/67/471106767.db2.gz RTTHPHZNDKRVPZ-SFHVURJKSA-N 2 2 338.455 2.190 10 0 EEAELP C[C@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649273 471113423 /nfs/dbraw/zinc/11/34/23/471113423.db2.gz AXKKATSEDCQGQI-LVQVYYBASA-N 2 2 349.479 2.144 10 0 EEAELP C[C@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649273 471113428 /nfs/dbraw/zinc/11/34/28/471113428.db2.gz AXKKATSEDCQGQI-LVQVYYBASA-N 2 2 349.479 2.144 10 0 EEAELP CN(C(=O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657387048 471122546 /nfs/dbraw/zinc/12/25/46/471122546.db2.gz LDUPYUKVFWMHNY-UHFFFAOYSA-N 2 2 327.432 2.148 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)c(C)[nH+]1 ZINC000651899935 471161081 /nfs/dbraw/zinc/16/10/81/471161081.db2.gz XFJTXSNPWNLAKO-UHFFFAOYSA-N 2 2 334.464 2.039 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)c(C)[nH+]1 ZINC000651899935 471161087 /nfs/dbraw/zinc/16/10/87/471161087.db2.gz XFJTXSNPWNLAKO-UHFFFAOYSA-N 2 2 334.464 2.039 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccccc1 ZINC000654845360 471199800 /nfs/dbraw/zinc/19/98/00/471199800.db2.gz JNJFVOUHMBBASQ-MRXNPFEDSA-N 2 2 326.444 2.162 10 0 EEAELP CCS(=O)(=O)C1(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000657759035 471229232 /nfs/dbraw/zinc/22/92/32/471229232.db2.gz MCAPCTBUJFMJOF-UHFFFAOYSA-N 2 2 333.457 2.238 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000652122487 471239410 /nfs/dbraw/zinc/23/94/10/471239410.db2.gz YWPHRVXOEHIQCD-OAHLLOKOSA-N 2 2 345.422 2.077 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCCn4nccc43)c2cc1C ZINC000657917938 471248313 /nfs/dbraw/zinc/24/83/13/471248313.db2.gz MKDDESBSCBXXAT-HZPDHXFCSA-N 2 2 339.443 2.335 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355450 471278371 /nfs/dbraw/zinc/27/83/71/471278371.db2.gz YDUZOHAVWUANHZ-KGLIPLIRSA-N 2 2 337.430 2.483 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355450 471278372 /nfs/dbraw/zinc/27/83/72/471278372.db2.gz YDUZOHAVWUANHZ-KGLIPLIRSA-N 2 2 337.430 2.483 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658340882 471290208 /nfs/dbraw/zinc/29/02/08/471290208.db2.gz FGMARPFMYBROCJ-UXHICEINSA-N 2 2 341.503 2.277 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658340882 471290211 /nfs/dbraw/zinc/29/02/11/471290211.db2.gz FGMARPFMYBROCJ-UXHICEINSA-N 2 2 341.503 2.277 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000658340032 471290391 /nfs/dbraw/zinc/29/03/91/471290391.db2.gz ALLFIIDCHXLYCJ-SXLOBPIMSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@]1(C)CCCO1 ZINC000658340032 471290392 /nfs/dbraw/zinc/29/03/92/471290392.db2.gz ALLFIIDCHXLYCJ-SXLOBPIMSA-N 2 2 331.504 2.350 10 0 EEAELP CCC[NH+]1CCC(NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658343079 471291112 /nfs/dbraw/zinc/29/11/12/471291112.db2.gz IPKSCPYOYVJDMY-NRFANRHFSA-N 2 2 344.547 2.267 10 0 EEAELP CCC[NH+]1CCC(NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658343079 471291114 /nfs/dbraw/zinc/29/11/14/471291114.db2.gz IPKSCPYOYVJDMY-NRFANRHFSA-N 2 2 344.547 2.267 10 0 EEAELP CCC[NH+]1CCC([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343079 471291116 /nfs/dbraw/zinc/29/11/16/471291116.db2.gz IPKSCPYOYVJDMY-NRFANRHFSA-N 2 2 344.547 2.267 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000660493907 471365617 /nfs/dbraw/zinc/36/56/17/471365617.db2.gz KZZVPRILYDHVNV-INIZCTEOSA-N 2 2 341.446 2.178 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000660493907 471365619 /nfs/dbraw/zinc/36/56/19/471365619.db2.gz KZZVPRILYDHVNV-INIZCTEOSA-N 2 2 341.446 2.178 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000660493907 471365624 /nfs/dbraw/zinc/36/56/24/471365624.db2.gz KZZVPRILYDHVNV-INIZCTEOSA-N 2 2 341.446 2.178 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000660493907 471365626 /nfs/dbraw/zinc/36/56/26/471365626.db2.gz KZZVPRILYDHVNV-INIZCTEOSA-N 2 2 341.446 2.178 10 0 EEAELP CC(=O)c1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000663745626 471500688 /nfs/dbraw/zinc/50/06/88/471500688.db2.gz FAPDMZPCCYXSMA-JWTNVVGKSA-N 2 2 328.460 2.031 10 0 EEAELP CC(=O)c1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000663745626 471500691 /nfs/dbraw/zinc/50/06/91/471500691.db2.gz FAPDMZPCCYXSMA-JWTNVVGKSA-N 2 2 328.460 2.031 10 0 EEAELP CC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1nc(C)cs1 ZINC000664007635 471607391 /nfs/dbraw/zinc/60/73/91/471607391.db2.gz CEORHMRPXNTHHT-CQSZACIVSA-N 2 2 341.525 2.085 10 0 EEAELP CC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1nc(C)cs1 ZINC000664007635 471607396 /nfs/dbraw/zinc/60/73/96/471607396.db2.gz CEORHMRPXNTHHT-CQSZACIVSA-N 2 2 341.525 2.085 10 0 EEAELP C[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1[nH+]ccn1C ZINC000667257354 471712887 /nfs/dbraw/zinc/71/28/87/471712887.db2.gz JJPLYSHLUGIUDK-GOEBONIOSA-N 2 2 327.432 2.179 10 0 EEAELP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1[nH+]ccn1C ZINC000667257354 471712889 /nfs/dbraw/zinc/71/28/89/471712889.db2.gz JJPLYSHLUGIUDK-GOEBONIOSA-N 2 2 327.432 2.179 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc2c(s1)CCCC2 ZINC000664331128 471721331 /nfs/dbraw/zinc/72/13/31/471721331.db2.gz PKHVNCABDMTOEU-UHFFFAOYSA-N 2 2 339.509 2.027 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc2c(s1)CCCC2 ZINC000664331128 471721336 /nfs/dbraw/zinc/72/13/36/471721336.db2.gz PKHVNCABDMTOEU-UHFFFAOYSA-N 2 2 339.509 2.027 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667425195 471774532 /nfs/dbraw/zinc/77/45/32/471774532.db2.gz ZNKXLPRTLASLHR-INIZCTEOSA-N 2 2 326.444 2.105 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667425195 471774535 /nfs/dbraw/zinc/77/45/35/471774535.db2.gz ZNKXLPRTLASLHR-INIZCTEOSA-N 2 2 326.444 2.105 10 0 EEAELP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667559035 471821858 /nfs/dbraw/zinc/82/18/58/471821858.db2.gz ZRDZEWYPUXLBME-QGZVFWFLSA-N 2 2 327.432 2.100 10 0 EEAELP CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667559035 471821862 /nfs/dbraw/zinc/82/18/62/471821862.db2.gz ZRDZEWYPUXLBME-QGZVFWFLSA-N 2 2 327.432 2.100 10 0 EEAELP CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667566921 471825219 /nfs/dbraw/zinc/82/52/19/471825219.db2.gz LODKCYDBYKEVFW-INIZCTEOSA-N 2 2 341.459 2.396 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](CCF)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661695642 471854072 /nfs/dbraw/zinc/85/40/72/471854072.db2.gz GPPLLHKQJLDMAG-LJQANCHMSA-N 2 2 347.478 2.402 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](CCF)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661695642 471854084 /nfs/dbraw/zinc/85/40/84/471854084.db2.gz GPPLLHKQJLDMAG-LJQANCHMSA-N 2 2 347.478 2.402 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH+]c[nH]c4C3)C2)CC1 ZINC000667668982 471861407 /nfs/dbraw/zinc/86/14/07/471861407.db2.gz DGJRDPMZCYZLRM-DLBZAZTESA-N 2 2 344.503 2.485 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCc4[nH]c[nH+]c4C3)C2)CC1 ZINC000667668982 471861410 /nfs/dbraw/zinc/86/14/10/471861410.db2.gz DGJRDPMZCYZLRM-DLBZAZTESA-N 2 2 344.503 2.485 10 0 EEAELP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667774959 471899766 /nfs/dbraw/zinc/89/97/66/471899766.db2.gz XMTZBCGGNPNTDP-QUCCMNQESA-N 2 2 329.488 2.356 10 0 EEAELP C[C@@H](CCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C)[NH+](C)C ZINC000665231444 471975165 /nfs/dbraw/zinc/97/51/65/471975165.db2.gz MELHCCQEJBRQNZ-RDJZCZTQSA-N 2 2 343.475 2.343 10 0 EEAELP Clc1ccc(O[C@@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000662259205 472046400 /nfs/dbraw/zinc/04/64/00/472046400.db2.gz RXDCHSOUDSCGKR-CHWSQXEVSA-N 2 2 331.243 2.435 10 0 EEAELP Clc1ccc(O[C@@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000662259205 472046405 /nfs/dbraw/zinc/04/64/05/472046405.db2.gz RXDCHSOUDSCGKR-CHWSQXEVSA-N 2 2 331.243 2.435 10 0 EEAELP CCOc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000665807637 472196794 /nfs/dbraw/zinc/19/67/94/472196794.db2.gz XAURKOCFDUCYRP-UHFFFAOYSA-N 2 2 340.443 2.229 10 0 EEAELP CCOc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000665807637 472196801 /nfs/dbraw/zinc/19/68/01/472196801.db2.gz XAURKOCFDUCYRP-UHFFFAOYSA-N 2 2 340.443 2.229 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3[NH2+]CCC3(C)C)CC2)s1 ZINC000662714051 472218341 /nfs/dbraw/zinc/21/83/41/472218341.db2.gz VETKMWBUVNAOSL-INIZCTEOSA-N 2 2 335.517 2.343 10 0 EEAELP COC[C@H](C)Oc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739457 472247848 /nfs/dbraw/zinc/24/78/48/472247848.db2.gz MVSPQHITOIIZLQ-LPHOPBHVSA-N 2 2 348.487 2.131 10 0 EEAELP COC[C@H](C)Oc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739457 472247855 /nfs/dbraw/zinc/24/78/55/472247855.db2.gz MVSPQHITOIIZLQ-LPHOPBHVSA-N 2 2 348.487 2.131 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662797515 472256539 /nfs/dbraw/zinc/25/65/39/472256539.db2.gz KUARVVPJYVYILO-YIKOMLBNSA-N 2 2 325.815 2.078 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662797515 472256544 /nfs/dbraw/zinc/25/65/44/472256544.db2.gz KUARVVPJYVYILO-YIKOMLBNSA-N 2 2 325.815 2.078 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662825224 472267556 /nfs/dbraw/zinc/26/75/56/472267556.db2.gz GDLPPNPRZGHZGU-SNRMKQJTSA-N 2 2 346.519 2.447 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662825224 472267561 /nfs/dbraw/zinc/26/75/61/472267561.db2.gz GDLPPNPRZGHZGU-SNRMKQJTSA-N 2 2 346.519 2.447 10 0 EEAELP OC[C@@]1([NH2+]C2CC[NH+](C3CC3)CC2)CCCN(Cc2ccccc2)C1 ZINC000666120494 472309409 /nfs/dbraw/zinc/30/94/09/472309409.db2.gz KZZNKRFXHSETCE-OAQYLSRUSA-N 2 2 343.515 2.230 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000431736458 485707761 /nfs/dbraw/zinc/70/77/61/485707761.db2.gz BPQLDVHZNTWNCV-QGZVFWFLSA-N 2 2 330.476 2.431 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000431736458 485707765 /nfs/dbraw/zinc/70/77/65/485707765.db2.gz BPQLDVHZNTWNCV-QGZVFWFLSA-N 2 2 330.476 2.431 10 0 EEAELP CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000684372568 485861357 /nfs/dbraw/zinc/86/13/57/485861357.db2.gz QLIJRGBCYAWTGA-OALUTQOASA-N 2 2 348.487 2.445 10 0 EEAELP CC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1C ZINC000671626330 485954221 /nfs/dbraw/zinc/95/42/21/485954221.db2.gz UNQPUXDXCCMHLB-LSDHHAIUSA-N 2 2 341.459 2.430 10 0 EEAELP CC[N@H+]1CCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1C ZINC000671626330 485954228 /nfs/dbraw/zinc/95/42/28/485954228.db2.gz UNQPUXDXCCMHLB-LSDHHAIUSA-N 2 2 341.459 2.430 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000671625890 485954933 /nfs/dbraw/zinc/95/49/33/485954933.db2.gz PIEVSPBBSRXTSR-PXAZEXFGSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@H](O)C1CC1 ZINC000671625890 485954938 /nfs/dbraw/zinc/95/49/38/485954938.db2.gz PIEVSPBBSRXTSR-PXAZEXFGSA-N 2 2 328.416 2.106 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000684843537 486016606 /nfs/dbraw/zinc/01/66/06/486016606.db2.gz HEOASQCBRIGHMK-GDBMZVCRSA-N 2 2 344.434 2.243 10 0 EEAELP CCc1cccc(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000676882815 486333403 /nfs/dbraw/zinc/33/34/03/486333403.db2.gz SZCLDMXVIGYGFW-SFHVURJKSA-N 2 2 329.488 2.076 10 0 EEAELP CCc1cccc(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000676882815 486333407 /nfs/dbraw/zinc/33/34/07/486333407.db2.gz SZCLDMXVIGYGFW-SFHVURJKSA-N 2 2 329.488 2.076 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000191473543 528866300 /nfs/dbraw/zinc/86/63/00/528866300.db2.gz YUUGWTDRCRNYON-UHFFFAOYSA-N 2 2 349.504 2.103 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1csc(CC(=O)NC)n1 ZINC000191473543 528866303 /nfs/dbraw/zinc/86/63/03/528866303.db2.gz YUUGWTDRCRNYON-UHFFFAOYSA-N 2 2 349.504 2.103 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000730785079 577055682 /nfs/dbraw/zinc/05/56/82/577055682.db2.gz DDSUDXWHUZTUPA-HUUCEWRRSA-N 2 2 327.432 2.260 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c4cccc(F)c34)C2)CC1 ZINC000761736289 577688676 /nfs/dbraw/zinc/68/86/76/577688676.db2.gz DUGHLTDKEQFCQH-ZDUSSCGKSA-N 2 2 344.434 2.205 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c4cccc(F)c34)C2)CC1 ZINC000761736289 577688677 /nfs/dbraw/zinc/68/86/77/577688677.db2.gz DUGHLTDKEQFCQH-ZDUSSCGKSA-N 2 2 344.434 2.205 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1N=NC(=O)N1C ZINC000895171791 684191816 /nfs/dbraw/zinc/19/18/16/684191816.db2.gz OWNNGXVYCHBGDH-LLLHUVSDSA-N 2 2 341.459 2.224 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1N=NC(=O)N1C ZINC000895171791 684191817 /nfs/dbraw/zinc/19/18/17/684191817.db2.gz OWNNGXVYCHBGDH-LLLHUVSDSA-N 2 2 341.459 2.224 10 0 EEAELP C[NH2+]CCCCc1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000905304838 694606253 /nfs/dbraw/zinc/60/62/53/694606253.db2.gz OYHIJXLCPHGKPZ-UHFFFAOYSA-N 2 2 330.432 2.111 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCC[NH2+]Cc2cnoc2C)c[nH+]1 ZINC001485727862 1191919314 /nfs/dbraw/zinc/91/93/14/1191919314.db2.gz PCOQVQDKTGTLGD-CYBMUJFWSA-N 2 2 347.463 2.298 10 0 EEAELP CC(C)OCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001266496544 1176642636 /nfs/dbraw/zinc/64/26/36/1176642636.db2.gz QMQNLOSIEGMDTQ-KURKYZTESA-N 2 2 348.491 2.325 10 0 EEAELP CC(C)OCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001266496544 1176642640 /nfs/dbraw/zinc/64/26/40/1176642640.db2.gz QMQNLOSIEGMDTQ-KURKYZTESA-N 2 2 348.491 2.325 10 0 EEAELP C[N@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CC1CCC2(CC2)CC1 ZINC001480885289 1176879948 /nfs/dbraw/zinc/87/99/48/1176879948.db2.gz VWTBYDPOMDNNMF-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP C[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CC1CCC2(CC2)CC1 ZINC001480885289 1176879959 /nfs/dbraw/zinc/87/99/59/1176879959.db2.gz VWTBYDPOMDNNMF-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c(C)c1 ZINC001266839123 1177517370 /nfs/dbraw/zinc/51/73/70/1177517370.db2.gz MTNHRTWOSGBPJD-QZTJIDSGSA-N 2 2 340.471 2.389 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(C)on1)c1ccccc1 ZINC001267454247 1179034505 /nfs/dbraw/zinc/03/45/05/1179034505.db2.gz WWOHQSNLYSGERV-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N(C)CC[NH2+]Cc1cc(C)on1)c1ccccc1 ZINC001267454247 1179034514 /nfs/dbraw/zinc/03/45/14/1179034514.db2.gz WWOHQSNLYSGERV-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1=CCCCC1 ZINC001267715855 1180262162 /nfs/dbraw/zinc/26/21/62/1180262162.db2.gz DNAUVWMAPIFHCG-ROUUACIJSA-N 2 2 328.460 2.449 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001267715855 1180262167 /nfs/dbraw/zinc/26/21/67/1180262167.db2.gz DNAUVWMAPIFHCG-ROUUACIJSA-N 2 2 328.460 2.449 10 0 EEAELP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001267825073 1180591818 /nfs/dbraw/zinc/59/18/18/1180591818.db2.gz LGAAAGHEFWTLMD-AWEZNQCLSA-N 2 2 349.866 2.086 10 0 EEAELP CCCC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001267916384 1180759987 /nfs/dbraw/zinc/75/99/87/1180759987.db2.gz VTYXUFNQJWKBMS-UHFFFAOYSA-N 2 2 339.524 2.116 10 0 EEAELP CN(CC[NH2+][C@@H]1CCc2ccc(Cl)cc21)C(=O)Cc1c[nH+]c[nH]1 ZINC001481284993 1180841030 /nfs/dbraw/zinc/84/10/30/1180841030.db2.gz OFGIAECQGZQFMT-MRXNPFEDSA-N 2 2 332.835 2.341 10 0 EEAELP C[C@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268066564 1181660135 /nfs/dbraw/zinc/66/01/35/1181660135.db2.gz BFVHGIQCADMGHQ-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP C[C@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268066564 1181660138 /nfs/dbraw/zinc/66/01/38/1181660138.db2.gz BFVHGIQCADMGHQ-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]Cc1ccns1 ZINC001268157138 1181860022 /nfs/dbraw/zinc/86/00/22/1181860022.db2.gz PPZRTRBEVTXVBT-HNNXBMFYSA-N 2 2 347.488 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F ZINC001268163075 1181877570 /nfs/dbraw/zinc/87/75/70/1181877570.db2.gz QUHADNBDKOGXKU-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP CC(C)OCCC[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001279307172 1182150075 /nfs/dbraw/zinc/15/00/75/1182150075.db2.gz BVVNJAXSDARVJV-UHFFFAOYSA-N 2 2 336.480 2.081 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001268288967 1182173045 /nfs/dbraw/zinc/17/30/45/1182173045.db2.gz KIYXVFAONJXUDO-WMZOPIPTSA-N 2 2 332.492 2.417 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481673266 1182187374 /nfs/dbraw/zinc/18/73/74/1182187374.db2.gz BCAKHBBKUNLFQQ-DZPCMMCASA-N 2 2 328.460 2.087 10 0 EEAELP Cc1csc(C[NH2+]CC[C@H](C)NC(=O)c2cccc3[nH+]ccn32)n1 ZINC001268387201 1182426008 /nfs/dbraw/zinc/42/60/08/1182426008.db2.gz RMXPSKZFESLHIE-LBPRGKRZSA-N 2 2 343.456 2.397 10 0 EEAELP CCN(CC[NH2+]Cc1ncccc1C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268480884 1182931083 /nfs/dbraw/zinc/93/10/83/1182931083.db2.gz PRJLQSBRKNKGNM-INIZCTEOSA-N 2 2 329.448 2.176 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(Cl)c1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001268485165 1182954738 /nfs/dbraw/zinc/95/47/38/1182954738.db2.gz XZSBSVFLHBIFLP-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP C[C@@](C[NH2+]C/C=C\c1ccccc1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481950449 1183018010 /nfs/dbraw/zinc/01/80/10/1183018010.db2.gz GRESCYMNJQOAQG-VORVDVFJSA-N 2 2 338.455 2.471 10 0 EEAELP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C[NH2+]CC1CC(C)C1 ZINC001482101950 1183335008 /nfs/dbraw/zinc/33/50/08/1183335008.db2.gz HUEIPSJKFYYKQS-PCKAHOCUSA-N 2 2 332.492 2.150 10 0 EEAELP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001269173543 1184028828 /nfs/dbraw/zinc/02/88/28/1184028828.db2.gz AOQWMPSIEDUKTH-WMZOPIPTSA-N 2 2 348.491 2.059 10 0 EEAELP CC[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001269173541 1184029390 /nfs/dbraw/zinc/02/93/90/1184029390.db2.gz AOQWMPSIEDUKTH-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP CC[C@H](C(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001269805644 1184633276 /nfs/dbraw/zinc/63/32/76/1184633276.db2.gz JGOUZUAUKLEBKJ-DGCLKSJQSA-N 2 2 336.307 2.053 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@@H]1C[NH2+]CCCF ZINC001270105418 1184852890 /nfs/dbraw/zinc/85/28/90/1184852890.db2.gz NUHMNJIGOYPLDV-QGZVFWFLSA-N 2 2 330.407 2.426 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001270229103 1184939631 /nfs/dbraw/zinc/93/96/31/1184939631.db2.gz XWTSYPWVIKBXLN-CMDLKFMISA-N 2 2 330.476 2.382 10 0 EEAELP CCc1nc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cs1 ZINC001482339354 1185436849 /nfs/dbraw/zinc/43/68/49/1185436849.db2.gz UZEGISFKVIAFRI-KGLIPLIRSA-N 2 2 349.504 2.490 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001280417961 1186401019 /nfs/dbraw/zinc/40/10/19/1186401019.db2.gz JYOKBFIEENLWBC-QZTJIDSGSA-N 2 2 339.524 2.258 10 0 EEAELP CCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001280417961 1186401027 /nfs/dbraw/zinc/40/10/27/1186401027.db2.gz JYOKBFIEENLWBC-QZTJIDSGSA-N 2 2 339.524 2.258 10 0 EEAELP COCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001271770859 1186472895 /nfs/dbraw/zinc/47/28/95/1186472895.db2.gz YZEYZVLMMFPSNU-WKILWMFISA-N 2 2 344.459 2.107 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCC(F)(F)F ZINC001482537660 1186591329 /nfs/dbraw/zinc/59/13/29/1186591329.db2.gz FQZDZNDRNHQUPT-STQMWFEESA-N 2 2 346.397 2.128 10 0 EEAELP C[C@H](CC[NH2+]CCC[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482848024 1187766506 /nfs/dbraw/zinc/76/65/06/1187766506.db2.gz WEGCRZQCBUEMFZ-HUUCEWRRSA-N 2 2 344.459 2.478 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]Cc3cccnc3C)ccn12 ZINC001483013080 1187997450 /nfs/dbraw/zinc/99/74/50/1187997450.db2.gz XEVMXOCEXOYWFO-ONEGZZNKSA-N 2 2 349.438 2.422 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc2ncccc2c1)C(=O)Cn1cc[nH+]c1 ZINC001272185802 1188000917 /nfs/dbraw/zinc/00/09/17/1188000917.db2.gz SPDWTMCUVTVADX-UHFFFAOYSA-N 2 2 337.427 2.022 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483144970 1188761089 /nfs/dbraw/zinc/76/10/89/1188761089.db2.gz SWRCXCOJUQFUKC-QWYBNYMASA-N 2 2 338.455 2.253 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CCOCC(C)C)ccn12 ZINC001483227302 1189507820 /nfs/dbraw/zinc/50/78/20/1189507820.db2.gz COWFSTYPZLVUQH-AWEZNQCLSA-N 2 2 332.448 2.023 10 0 EEAELP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001409437605 1189676379 /nfs/dbraw/zinc/67/63/79/1189676379.db2.gz BYBUPLRAKWXUGL-HUUCEWRRSA-N 2 2 338.471 2.268 10 0 EEAELP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001485893899 1193632492 /nfs/dbraw/zinc/63/24/92/1193632492.db2.gz MFOWEFWWIHWMCC-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP CN(CCC[NH2+]CC[C@@H]1CCCO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483473897 1190496061 /nfs/dbraw/zinc/49/60/61/1190496061.db2.gz LYTFMLPFEBESDJ-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001483476860 1190498609 /nfs/dbraw/zinc/49/86/09/1190498609.db2.gz KLXFFVMLJKJEIV-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP CN(CCC[NH2+]CCc1ccc(Cl)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001483500241 1190516132 /nfs/dbraw/zinc/51/61/32/1190516132.db2.gz MRLFATFGPSARSI-UHFFFAOYSA-N 2 2 334.851 2.286 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCOCC2CCC2)C[C@@H]1C ZINC001483914459 1191114537 /nfs/dbraw/zinc/11/45/37/1191114537.db2.gz AEIINBZYULGZAD-YOEHRIQHSA-N 2 2 348.491 2.046 10 0 EEAELP C[C@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484098823 1191210193 /nfs/dbraw/zinc/21/01/93/1191210193.db2.gz AXUAKZUCDCTKJA-DCCNEGRASA-N 2 2 336.867 2.026 10 0 EEAELP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccns2)C1)c1c[nH+]c[nH]1 ZINC001484121383 1191221252 /nfs/dbraw/zinc/22/12/52/1191221252.db2.gz ASBLXVMNJBRUDO-KRWDZBQOSA-N 2 2 347.488 2.172 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([C@H](C)[NH2+]CCCF)C3)ccn12 ZINC001484337778 1191309939 /nfs/dbraw/zinc/30/99/39/1191309939.db2.gz ZXZYQIRMFFAVLB-GOEBONIOSA-N 2 2 332.423 2.443 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001484646643 1191452846 /nfs/dbraw/zinc/45/28/46/1191452846.db2.gz UFAZMPHBAPYCFW-ZACQAIPSSA-N 2 2 330.476 2.338 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001485214962 1191696720 /nfs/dbraw/zinc/69/67/20/1191696720.db2.gz GPUVDIWMBXYBJD-NEPJUHHUSA-N 2 2 348.422 2.091 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1cc(F)ccc1F ZINC001485319572 1191733425 /nfs/dbraw/zinc/73/34/25/1191733425.db2.gz NKTWNLIYGHQJAS-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1cc(F)ccc1F ZINC001485319572 1191733426 /nfs/dbraw/zinc/73/34/26/1191733426.db2.gz NKTWNLIYGHQJAS-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1cc(F)ccc1F ZINC001485319572 1191733427 /nfs/dbraw/zinc/73/34/27/1191733427.db2.gz NKTWNLIYGHQJAS-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1cc(F)ccc1F ZINC001485319572 1191733428 /nfs/dbraw/zinc/73/34/28/1191733428.db2.gz NKTWNLIYGHQJAS-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP COc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001485355569 1191760388 /nfs/dbraw/zinc/76/03/88/1191760388.db2.gz GFEKDFISNCPIBG-HZPDHXFCSA-N 2 2 344.459 2.480 10 0 EEAELP COc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001485355569 1191760390 /nfs/dbraw/zinc/76/03/90/1191760390.db2.gz GFEKDFISNCPIBG-HZPDHXFCSA-N 2 2 344.459 2.480 10 0 EEAELP CCOCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC001486244942 1193771037 /nfs/dbraw/zinc/77/10/37/1193771037.db2.gz PVPZIWIUTLEGOD-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(F)c1 ZINC001486524075 1194046681 /nfs/dbraw/zinc/04/66/81/1194046681.db2.gz OLJQMVXDQCKLCV-OAHLLOKOSA-N 2 2 344.434 2.401 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001273043124 1194347542 /nfs/dbraw/zinc/34/75/42/1194347542.db2.gz AZTXVEQGMOHHJT-CVEARBPZSA-N 2 2 329.448 2.222 10 0 EEAELP C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)CCc1c[nH+]cn1C ZINC001273152149 1197083710 /nfs/dbraw/zinc/08/37/10/1197083710.db2.gz VKESVZPPAOTOBA-NSHDSACASA-N 2 2 333.263 2.156 10 0 EEAELP COCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001691689734 1197506693 /nfs/dbraw/zinc/50/66/93/1197506693.db2.gz LBUKBQWMNAKOTE-MRXNPFEDSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c(C)c1 ZINC001410108688 1197552560 /nfs/dbraw/zinc/55/25/60/1197552560.db2.gz HOXORXYYMRMAPC-NNZMDNLPSA-N 2 2 338.455 2.063 10 0 EEAELP Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c(C)c1 ZINC001410108688 1197552564 /nfs/dbraw/zinc/55/25/64/1197552564.db2.gz HOXORXYYMRMAPC-NNZMDNLPSA-N 2 2 338.455 2.063 10 0 EEAELP C[C@H](CC[NH2+]Cc1csc(C(C)(C)C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001273212015 1197559077 /nfs/dbraw/zinc/55/90/77/1197559077.db2.gz DVMWSQIOESMFRE-CYBMUJFWSA-N 2 2 349.504 2.322 10 0 EEAELP Cc1nocc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001410317784 1197697031 /nfs/dbraw/zinc/69/70/31/1197697031.db2.gz YUCHFDCBASHCGR-CXAGYDPISA-N 2 2 345.447 2.157 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000865625962 1198304917 /nfs/dbraw/zinc/30/49/17/1198304917.db2.gz FJZKKNZOAVRSAT-SFHVURJKSA-N 2 2 346.471 2.199 10 0 EEAELP Cc1ncsc1CC[N@@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001411194574 1198889748 /nfs/dbraw/zinc/88/97/48/1198889748.db2.gz NEFZFEYYZSZVJY-UHFFFAOYSA-N 2 2 349.504 2.129 10 0 EEAELP Cc1ncsc1CC[N@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001411194574 1198889750 /nfs/dbraw/zinc/88/97/50/1198889750.db2.gz NEFZFEYYZSZVJY-UHFFFAOYSA-N 2 2 349.504 2.129 10 0 EEAELP Cc1ncsc1C[NH+]1CCC([C@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001411234926 1198945920 /nfs/dbraw/zinc/94/59/20/1198945920.db2.gz JHTRNMJPKIVCHG-LBPRGKRZSA-N 2 2 347.488 2.134 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000866518123 1201538460 /nfs/dbraw/zinc/53/84/60/1201538460.db2.gz VCPKZRSTTYXGHJ-RXABAKJHSA-N 2 2 348.512 2.454 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000866518123 1201538464 /nfs/dbraw/zinc/53/84/64/1201538464.db2.gz VCPKZRSTTYXGHJ-RXABAKJHSA-N 2 2 348.512 2.454 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000868167269 1201756900 /nfs/dbraw/zinc/75/69/00/1201756900.db2.gz NSXFTDBNMGZUEE-SFHVURJKSA-N 2 2 337.427 2.036 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000868167269 1201756905 /nfs/dbraw/zinc/75/69/05/1201756905.db2.gz NSXFTDBNMGZUEE-SFHVURJKSA-N 2 2 337.427 2.036 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001274124021 1204390067 /nfs/dbraw/zinc/39/00/67/1204390067.db2.gz BNLOAYAEKGUUJM-ZHAXYTGKSA-N 2 2 342.443 2.254 10 0 EEAELP C[C@H](F)CC[NH2+]C/C=C/CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001274235842 1204970341 /nfs/dbraw/zinc/97/03/41/1204970341.db2.gz JCGAQFYJBHRHGY-FAAWYNLUSA-N 2 2 330.407 2.496 10 0 EEAELP CCOCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275766525 1205518146 /nfs/dbraw/zinc/51/81/46/1205518146.db2.gz DJWBCZUFJOAFIP-ZBFHGGJFSA-N 2 2 344.459 2.478 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[C@H]1C[NH2+]CCc1cccs1 ZINC001275818225 1205549105 /nfs/dbraw/zinc/54/91/05/1205549105.db2.gz VDWWQEOBDYQIRS-RDJZCZTQSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[C@H]([NH2+]CCCO)C(C)C)ccn12 ZINC001276122215 1205784998 /nfs/dbraw/zinc/78/49/98/1205784998.db2.gz ARKXYSOGGLODOF-KRWDZBQOSA-N 2 2 346.475 2.101 10 0 EEAELP O=C(NC1(C[NH2+]CCCF)CCCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001276213112 1205838890 /nfs/dbraw/zinc/83/88/90/1205838890.db2.gz KPYUNPCGUFZKCE-HNNXBMFYSA-N 2 2 336.455 2.214 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924611691 1206004279 /nfs/dbraw/zinc/00/42/79/1206004279.db2.gz GIQFOZMSTMKASR-KZNAEPCWSA-N 2 2 334.460 2.344 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924611691 1206004282 /nfs/dbraw/zinc/00/42/82/1206004282.db2.gz GIQFOZMSTMKASR-KZNAEPCWSA-N 2 2 334.460 2.344 10 0 EEAELP Fc1cccc([C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)N2CCOCC2)c1 ZINC000925485341 1206118849 /nfs/dbraw/zinc/11/88/49/1206118849.db2.gz AUPLCTGTOPSCOF-ROUUACIJSA-N 2 2 333.451 2.073 10 0 EEAELP c1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)N2CCOCC2)cc1 ZINC000925516078 1206122099 /nfs/dbraw/zinc/12/20/99/1206122099.db2.gz GVPCTNNGSGNYNS-RBUKOAKNSA-N 2 2 329.488 2.324 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(COCC3CC3)c2)CC1 ZINC000925982837 1206178153 /nfs/dbraw/zinc/17/81/53/1206178153.db2.gz LSBKJEFAIBUDTF-UHFFFAOYSA-N 2 2 346.475 2.158 10 0 EEAELP Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1-c1ncco1 ZINC000926071455 1206188289 /nfs/dbraw/zinc/18/82/89/1206188289.db2.gz FUFCYGIJVISCPI-UHFFFAOYSA-N 2 2 343.431 2.195 10 0 EEAELP CC[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754079 1206498340 /nfs/dbraw/zinc/49/83/40/1206498340.db2.gz IQFAMGCAKUCIJD-GBESFXJTSA-N 2 2 345.487 2.424 10 0 EEAELP CC[N@@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754079 1206498341 /nfs/dbraw/zinc/49/83/41/1206498341.db2.gz IQFAMGCAKUCIJD-GBESFXJTSA-N 2 2 345.487 2.424 10 0 EEAELP CC[N@H+](CCO[C@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929753875 1206498351 /nfs/dbraw/zinc/49/83/51/1206498351.db2.gz HFNPTLFGHLQHRV-SFHVURJKSA-N 2 2 333.476 2.425 10 0 EEAELP CC[N@@H+](CCO[C@H]1CCOC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929753875 1206498352 /nfs/dbraw/zinc/49/83/52/1206498352.db2.gz HFNPTLFGHLQHRV-SFHVURJKSA-N 2 2 333.476 2.425 10 0 EEAELP Cc1cc(C)nc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000930094260 1206534362 /nfs/dbraw/zinc/53/43/62/1206534362.db2.gz GRIKHXNFPQVTGO-YOFSQIOKSA-N 2 2 328.504 2.441 10 0 EEAELP Cc1cc(C)nc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000930094260 1206534363 /nfs/dbraw/zinc/53/43/63/1206534363.db2.gz GRIKHXNFPQVTGO-YOFSQIOKSA-N 2 2 328.504 2.441 10 0 EEAELP Nc1cc[nH+]c2c1C[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC2 ZINC000931515665 1207403079 /nfs/dbraw/zinc/40/30/79/1207403079.db2.gz ZZRPZAOTVWVBBT-UHFFFAOYSA-N 2 2 332.354 2.329 10 0 EEAELP Nc1cc[nH+]c2c1C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)CC2 ZINC000931515665 1207403082 /nfs/dbraw/zinc/40/30/82/1207403082.db2.gz ZZRPZAOTVWVBBT-UHFFFAOYSA-N 2 2 332.354 2.329 10 0 EEAELP CN(CC[NH+]1CCCC1)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900561346 1234487350 /nfs/dbraw/zinc/48/73/50/1234487350.db2.gz QCMZKRAFIREQRK-UHFFFAOYSA-N 2 2 341.459 2.163 10 0 EEAELP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000900590596 1234526057 /nfs/dbraw/zinc/52/60/57/1234526057.db2.gz FURBICFGFUVKCQ-GJZGRUSLSA-N 2 2 344.459 2.130 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900653075 1234613537 /nfs/dbraw/zinc/61/35/37/1234613537.db2.gz VTXQANPHGGUOGJ-UHFFFAOYSA-N 2 2 344.459 2.085 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2cccnc2)C1 ZINC000902953251 1239179022 /nfs/dbraw/zinc/17/90/22/1239179022.db2.gz BUQGUMBHAIMKMN-PMACEKPBSA-N 2 2 325.456 2.412 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CCc2ccccc2)c2cccnc2)C1 ZINC000902953251 1239179029 /nfs/dbraw/zinc/17/90/29/1239179029.db2.gz BUQGUMBHAIMKMN-PMACEKPBSA-N 2 2 325.456 2.412 10 0 EEAELP Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001491507365 1259158803 /nfs/dbraw/zinc/15/88/03/1259158803.db2.gz IYFNTCFVHIBMQP-IAGOWNOFSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCCc1ccsc1 ZINC001491507529 1259158906 /nfs/dbraw/zinc/15/89/06/1259158906.db2.gz JOIFXYJEVZGNJS-ZBFHGGJFSA-N 2 2 346.500 2.234 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)ns1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001273637431 1281957156 /nfs/dbraw/zinc/95/71/56/1281957156.db2.gz JUQSCZVNOBDAAE-AWEZNQCLSA-N 2 2 335.477 2.237 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001488691063 1290133135 /nfs/dbraw/zinc/13/31/35/1290133135.db2.gz HQJRBAGIJQIZMC-QGZVFWFLSA-N 2 2 333.451 2.263 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001488691063 1290133144 /nfs/dbraw/zinc/13/31/44/1290133144.db2.gz HQJRBAGIJQIZMC-QGZVFWFLSA-N 2 2 333.451 2.263 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCc2c1c(F)ccc2F ZINC001490261027 1291144197 /nfs/dbraw/zinc/14/41/97/1291144197.db2.gz GGEQUCDHGCQEQE-OAHLLOKOSA-N 2 2 348.397 2.356 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCc2c1c(F)ccc2F ZINC001490261027 1291144204 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EEAELP C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CN(C(=O)OC(C)(C)C)C1 ZINC000843403227 1315908155 /nfs/dbraw/zinc/90/81/55/1315908155.db2.gz VBTJELPSEPJSAK-QLFBSQMISA-N 2 2 334.464 2.433 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278681263 1317686642 /nfs/dbraw/zinc/68/66/42/1317686642.db2.gz BUORSNQABNSYFU-AEFFLSMTSA-N 2 2 336.480 2.089 10 0 EEAELP CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278681263 1317686649 /nfs/dbraw/zinc/68/66/49/1317686649.db2.gz BUORSNQABNSYFU-AEFFLSMTSA-N 2 2 336.480 2.089 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001278704053 1317800533 /nfs/dbraw/zinc/80/05/33/1317800533.db2.gz OMPPFAYQIDROOQ-KGLIPLIRSA-N 2 2 344.381 2.076 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]Cc2cc3ccccc3o2)C1 ZINC001263851786 1322537404 /nfs/dbraw/zinc/53/74/04/1322537404.db2.gz VGSNXYLLADIOCA-FZNQNYSPSA-N 2 2 338.411 2.314 10 0 EEAELP CC[C@H](C(=O)NCCC[N@H+](C)Cc1ncc(Cl)s1)[NH+](C)C 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EEAELP CN(CCC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001670145158 1356284991 /nfs/dbraw/zinc/28/49/91/1356284991.db2.gz VKUXWCNCGWQKCH-OAHLLOKOSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001670149453 1356285582 /nfs/dbraw/zinc/28/55/82/1356285582.db2.gz NHPXPSQZECIPNP-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP CC(C)=CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001671969099 1356445761 /nfs/dbraw/zinc/44/57/61/1356445761.db2.gz SFNGMLWKEVYGDS-HNNXBMFYSA-N 2 2 340.418 2.313 10 0 EEAELP CC(C)=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001671969099 1356445763 /nfs/dbraw/zinc/44/57/63/1356445763.db2.gz SFNGMLWKEVYGDS-HNNXBMFYSA-N 2 2 340.418 2.313 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001672287497 1356494257 /nfs/dbraw/zinc/49/42/57/1356494257.db2.gz PLBHFNVRYHCCLV-RYUDHWBXSA-N 2 2 345.274 2.345 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001672287497 1356494263 /nfs/dbraw/zinc/49/42/63/1356494263.db2.gz PLBHFNVRYHCCLV-RYUDHWBXSA-N 2 2 345.274 2.345 10 0 EEAELP C[C@@H]([NH2+]CCCc1cccc(F)c1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001674735180 1356885738 /nfs/dbraw/zinc/88/57/38/1356885738.db2.gz ONWPPKDDLCSOMQ-KGLIPLIRSA-N 2 2 332.423 2.207 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001675791843 1357049413 /nfs/dbraw/zinc/04/94/13/1357049413.db2.gz JSGOMKZLDTYNFC-UBVZQYPSSA-N 2 2 330.476 2.364 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001698766500 1405051134 /nfs/dbraw/zinc/05/11/34/1405051134.db2.gz NPZCVZZKFJREMK-RDJZCZTQSA-N 2 2 340.471 2.414 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001699030763 1405242272 /nfs/dbraw/zinc/24/22/72/1405242272.db2.gz VEBGXHUFAQFMED-QWHCGFSZSA-N 2 2 345.274 2.467 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699316290 1405331708 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CC(C)C[N@H+](C)CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001566059356 1125533921 /nfs/dbraw/zinc/53/39/21/1125533921.db2.gz OWCWMLJLQPLNAX-UHFFFAOYSA-N 2 2 332.448 2.239 10 0 EEAELP CC(C)C[N@@H+](C)CCOCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001566059356 1125533922 /nfs/dbraw/zinc/53/39/22/1125533922.db2.gz OWCWMLJLQPLNAX-UHFFFAOYSA-N 2 2 332.448 2.239 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)C[C@H]3CCCCO3)ccn12 ZINC001566454233 1125615012 /nfs/dbraw/zinc/61/50/12/1125615012.db2.gz OMUYBYLHMXTEAH-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)C[C@H]3CCCCO3)ccn12 ZINC001566454233 1125615015 /nfs/dbraw/zinc/61/50/15/1125615015.db2.gz OMUYBYLHMXTEAH-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(Cl)nc1 ZINC001566573920 1125754233 /nfs/dbraw/zinc/75/42/33/1125754233.db2.gz AMXUHMVACALLGK-UHFFFAOYSA-N 2 2 349.866 2.337 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(Cl)nc1 ZINC001566573920 1125754238 /nfs/dbraw/zinc/75/42/38/1125754238.db2.gz AMXUHMVACALLGK-UHFFFAOYSA-N 2 2 349.866 2.337 10 0 EEAELP C[NH+](CC(=O)N1CCCC[C@H]1C[N@H+](C)CCF)Cc1ccccc1 ZINC001436495807 1088003199 /nfs/dbraw/zinc/00/31/99/1088003199.db2.gz PRGDLQXSVWAOGO-SFHVURJKSA-N 2 2 335.467 2.401 10 0 EEAELP C[NH+](CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCF)Cc1ccccc1 ZINC001436495807 1088003220 /nfs/dbraw/zinc/00/32/20/1088003220.db2.gz PRGDLQXSVWAOGO-SFHVURJKSA-N 2 2 335.467 2.401 10 0 EEAELP C[NH+](CCF)C[C@@H]1CCCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001436495807 1088003235 /nfs/dbraw/zinc/00/32/35/1088003235.db2.gz PRGDLQXSVWAOGO-SFHVURJKSA-N 2 2 335.467 2.401 10 0 EEAELP C[NH+](CCF)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001436495807 1088003246 /nfs/dbraw/zinc/00/32/46/1088003246.db2.gz PRGDLQXSVWAOGO-SFHVURJKSA-N 2 2 335.467 2.401 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2CCOCC2)CC1 ZINC001436765842 1088295673 /nfs/dbraw/zinc/29/56/73/1088295673.db2.gz NTDZUWUWOCREBE-UHFFFAOYSA-N 2 2 348.491 2.013 10 0 EEAELP CCO[C@@H](C[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001437137458 1089128585 /nfs/dbraw/zinc/12/85/85/1089128585.db2.gz PGHRPAPEMGOAEB-GUYCJALGSA-N 2 2 344.459 2.166 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCNC(=O)Cn2cc[nH+]c2C(C)C)c(C)n1 ZINC001437522181 1089940906 /nfs/dbraw/zinc/94/09/06/1089940906.db2.gz LUPOTFJZCSWFOP-UHFFFAOYSA-N 2 2 343.475 2.267 10 0 EEAELP Cc1ccc(C[N@H+](C)CCNC(=O)Cn2cc[nH+]c2C(C)C)c(C)n1 ZINC001437522181 1089940919 /nfs/dbraw/zinc/94/09/19/1089940919.db2.gz LUPOTFJZCSWFOP-UHFFFAOYSA-N 2 2 343.475 2.267 10 0 EEAELP C[C@@H](CC(=O)NCC[C@H]1CC[N@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001437932292 1090526363 /nfs/dbraw/zinc/52/63/63/1090526363.db2.gz APVMWBOKLLMKEA-GJZGRUSLSA-N 2 2 347.488 2.319 10 0 EEAELP C[C@@H](CC(=O)NCC[C@H]1CC[N@@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001437932292 1090526367 /nfs/dbraw/zinc/52/63/67/1090526367.db2.gz APVMWBOKLLMKEA-GJZGRUSLSA-N 2 2 347.488 2.319 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001437955393 1090552522 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2.022 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001445450956 1091214861 /nfs/dbraw/zinc/21/48/61/1091214861.db2.gz WHRNBQCGKPVFRK-ZBFHGGJFSA-N 2 2 348.491 2.409 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001445450956 1091214865 /nfs/dbraw/zinc/21/48/65/1091214865.db2.gz WHRNBQCGKPVFRK-ZBFHGGJFSA-N 2 2 348.491 2.409 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCC(F)(F)F ZINC001438807476 1091418045 /nfs/dbraw/zinc/41/80/45/1091418045.db2.gz QCFDLGIXHKLDPH-GXTWGEPZSA-N 2 2 346.397 2.128 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC001438959296 1091651762 /nfs/dbraw/zinc/65/17/62/1091651762.db2.gz XEYQWLMZFASOLF-CZUORRHYSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC001438959296 1091651763 /nfs/dbraw/zinc/65/17/63/1091651763.db2.gz XEYQWLMZFASOLF-CZUORRHYSA-N 2 2 347.488 2.182 10 0 EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2nocc2C)C1 ZINC001445787232 1091654954 /nfs/dbraw/zinc/65/49/54/1091654954.db2.gz SPJPLMNXYOFIBX-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2nocc2C)C1 ZINC001445787232 1091654959 /nfs/dbraw/zinc/65/49/59/1091654959.db2.gz SPJPLMNXYOFIBX-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc2nocc2C)C1 ZINC001445787232 1091654962 /nfs/dbraw/zinc/65/49/62/1091654962.db2.gz SPJPLMNXYOFIBX-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc2nocc2C)C1 ZINC001445787232 1091654969 /nfs/dbraw/zinc/65/49/69/1091654969.db2.gz SPJPLMNXYOFIBX-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445813728 1091690044 /nfs/dbraw/zinc/69/00/44/1091690044.db2.gz KKYVXKGJJDQBRF-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445813728 1091690049 /nfs/dbraw/zinc/69/00/49/1091690049.db2.gz KKYVXKGJJDQBRF-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC001439131390 1091777656 /nfs/dbraw/zinc/77/76/56/1091777656.db2.gz VAMKQLJDHAFVQW-ZBFHGGJFSA-N 2 2 344.434 2.188 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)CCCn1cc[nH+]c1 ZINC001439185859 1091836113 /nfs/dbraw/zinc/83/61/13/1091836113.db2.gz XMTLQWQBQHMYKK-QAPCUYQASA-N 2 2 326.444 2.445 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC001439965419 1093078748 /nfs/dbraw/zinc/07/87/48/1093078748.db2.gz CRSKIHHYQGXFIO-OAHLLOKOSA-N 2 2 348.397 2.226 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC001439965419 1093078754 /nfs/dbraw/zinc/07/87/54/1093078754.db2.gz CRSKIHHYQGXFIO-OAHLLOKOSA-N 2 2 348.397 2.226 10 0 EEAELP CC(C)CC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001448462518 1093472070 /nfs/dbraw/zinc/47/20/70/1093472070.db2.gz RRBTYGPWROAOCR-DOTOQJQBSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)oc1C ZINC001448693960 1093757162 /nfs/dbraw/zinc/75/71/62/1093757162.db2.gz DKAOWDSGWGSZAY-ZDUSSCGKSA-N 2 2 336.480 2.102 10 0 EEAELP C[NH+](C)CCc1cccc(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC001448743920 1093814281 /nfs/dbraw/zinc/81/42/81/1093814281.db2.gz AJFHHCNOZTUKIW-LJQANCHMSA-N 2 2 339.439 2.479 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@H]2CCCOC2)CCCCC1 ZINC001441105749 1094414654 /nfs/dbraw/zinc/41/46/54/1094414654.db2.gz HWRQMYFRJWLTTM-MRXNPFEDSA-N 2 2 348.491 2.096 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC(C)(C)C1 ZINC001441550694 1095280030 /nfs/dbraw/zinc/28/00/30/1095280030.db2.gz DMVYJYWCKPEMEA-GDBMZVCRSA-N 2 2 332.492 2.318 10 0 EEAELP CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001441861344 1095965212 /nfs/dbraw/zinc/96/52/12/1095965212.db2.gz DAZPHLSIDLMTDQ-YJBOKZPZSA-N 2 2 340.471 2.302 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]Cc1ccccc1 ZINC001441867344 1095977081 /nfs/dbraw/zinc/97/70/81/1095977081.db2.gz POKBDGXIZUOOCE-KBXCAEBGSA-N 2 2 341.459 2.085 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+]Cc1ccccc1 ZINC001441867344 1095977084 /nfs/dbraw/zinc/97/70/84/1095977084.db2.gz POKBDGXIZUOOCE-KBXCAEBGSA-N 2 2 341.459 2.085 10 0 EEAELP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001441931669 1096121770 /nfs/dbraw/zinc/12/17/70/1096121770.db2.gz OFDVBWXVBJFKTP-AHKGRUIUSA-N 2 2 338.455 2.492 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001441984890 1096187670 /nfs/dbraw/zinc/18/76/70/1096187670.db2.gz MFMJKUZOHDXSGW-IINYFYTJSA-N 2 2 334.370 2.012 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001442914712 1097323042 /nfs/dbraw/zinc/32/30/42/1097323042.db2.gz ZVPWAFJFXHAGJC-HNNXBMFYSA-N 2 2 344.434 2.048 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CNC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001442914712 1097323045 /nfs/dbraw/zinc/32/30/45/1097323045.db2.gz ZVPWAFJFXHAGJC-HNNXBMFYSA-N 2 2 344.434 2.048 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@H](CCNC(=O)CCn3cc[nH+]c3)C2)s1 ZINC001443267551 1097746650 /nfs/dbraw/zinc/74/66/50/1097746650.db2.gz QENVEDKJOXURCQ-HNNXBMFYSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@H](CCNC(=O)CCn3cc[nH+]c3)C2)s1 ZINC001443267551 1097746653 /nfs/dbraw/zinc/74/66/53/1097746653.db2.gz QENVEDKJOXURCQ-HNNXBMFYSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1C[NH+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC001443606597 1098100961 /nfs/dbraw/zinc/10/09/61/1098100961.db2.gz GLJGQXTYGFEDAX-CYBMUJFWSA-N 2 2 348.397 2.279 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]Cc1cscn1 ZINC001479520853 1098587132 /nfs/dbraw/zinc/58/71/32/1098587132.db2.gz DSWSYKWVTXDNHA-XJKSGUPXSA-N 2 2 347.488 2.216 10 0 EEAELP Cc1cc(C[NH2+]C[C@](C)(NC(=O)CCn2cc[nH+]c2)C2CC2)sn1 ZINC001444124239 1098658588 /nfs/dbraw/zinc/65/85/88/1098658588.db2.gz RQFDONHAJSHJOV-KRWDZBQOSA-N 2 2 347.488 2.113 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479669026 1098716825 /nfs/dbraw/zinc/71/68/25/1098716825.db2.gz VAAUPXSSCOVSGB-MSOLQXFVSA-N 2 2 332.492 2.490 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479669026 1098716830 /nfs/dbraw/zinc/71/68/30/1098716830.db2.gz VAAUPXSSCOVSGB-MSOLQXFVSA-N 2 2 332.492 2.490 10 0 EEAELP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001444188381 1098740473 /nfs/dbraw/zinc/74/04/73/1098740473.db2.gz UBFXVPSWCXATSW-VGWMRTNUSA-N 2 2 336.455 2.211 10 0 EEAELP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001479735421 1098841574 /nfs/dbraw/zinc/84/15/74/1098841574.db2.gz XIIZMMTWPYNPTA-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001479735421 1098841584 /nfs/dbraw/zinc/84/15/84/1098841584.db2.gz XIIZMMTWPYNPTA-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001479735421 1098841591 /nfs/dbraw/zinc/84/15/91/1098841591.db2.gz XIIZMMTWPYNPTA-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001479735421 1098841599 /nfs/dbraw/zinc/84/15/99/1098841599.db2.gz XIIZMMTWPYNPTA-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)Cc1nocc1C ZINC001479738487 1098851304 /nfs/dbraw/zinc/85/13/04/1098851304.db2.gz DQVFUTMKDSIELV-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)Cc1nocc1C ZINC001479738487 1098851311 /nfs/dbraw/zinc/85/13/11/1098851311.db2.gz DQVFUTMKDSIELV-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CC[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nocc1C ZINC001479738487 1098851320 /nfs/dbraw/zinc/85/13/20/1098851320.db2.gz DQVFUTMKDSIELV-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CC[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nocc1C ZINC001479738487 1098851328 /nfs/dbraw/zinc/85/13/28/1098851328.db2.gz DQVFUTMKDSIELV-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCc2ccccc21 ZINC001444325209 1098888541 /nfs/dbraw/zinc/88/85/41/1098888541.db2.gz OPZWKKYCQKRHBT-KBXCAEBGSA-N 2 2 326.444 2.372 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H]1CCc2ccccc21 ZINC001444325209 1098888551 /nfs/dbraw/zinc/88/85/51/1098888551.db2.gz OPZWKKYCQKRHBT-KBXCAEBGSA-N 2 2 326.444 2.372 10 0 EEAELP CCC(CC)C[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001480030797 1099519750 /nfs/dbraw/zinc/51/97/50/1099519750.db2.gz PXAWSFYNFXTIDZ-DLBZAZTESA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ccc(C[NH2+][C@H](CNC(=O)CCn2cc[nH+]c2)C(C)C)c(C)n1 ZINC001444896876 1099947915 /nfs/dbraw/zinc/94/79/15/1099947915.db2.gz NIEOTQQGNMDEJP-GOSISDBHSA-N 2 2 343.475 2.216 10 0 EEAELP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001480287042 1099997228 /nfs/dbraw/zinc/99/72/28/1099997228.db2.gz PQVHWNYGAVZEFJ-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP CN(CC[N@H+](C)C[C@H]1CCCC(F)(F)C1)C(=O)CCn1cc[nH+]c1 ZINC001445022094 1100180874 /nfs/dbraw/zinc/18/08/74/1100180874.db2.gz YMLUDZZCEIYXBJ-HNNXBMFYSA-N 2 2 342.434 2.489 10 0 EEAELP CN(CC[N@@H+](C)C[C@H]1CCCC(F)(F)C1)C(=O)CCn1cc[nH+]c1 ZINC001445022094 1100180880 /nfs/dbraw/zinc/18/08/80/1100180880.db2.gz YMLUDZZCEIYXBJ-HNNXBMFYSA-N 2 2 342.434 2.489 10 0 EEAELP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCc1ccccc1 ZINC001480463957 1100270092 /nfs/dbraw/zinc/27/00/92/1100270092.db2.gz KLHVVFHDHFEAQM-MRXNPFEDSA-N 2 2 340.471 2.099 10 0 EEAELP C[C@@H](CC[NH2+][C@H]1CCc2c1c(F)ccc2F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445325997 1100562116 /nfs/dbraw/zinc/56/21/16/1100562116.db2.gz WQRGUAIDGMSGQC-NHYWBVRUSA-N 2 2 348.397 2.402 10 0 EEAELP CCO[C@H](C[NH+]1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1)C1CC1 ZINC001446377009 1100754066 /nfs/dbraw/zinc/75/40/66/1100754066.db2.gz YNZHKNFEHKXYKT-GOSISDBHSA-N 2 2 342.443 2.134 10 0 EEAELP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001495167661 1100840585 /nfs/dbraw/zinc/84/05/85/1100840585.db2.gz ISXSUSNEZDFMLV-MRXNPFEDSA-N 2 2 330.476 2.430 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]C/C(Cl)=C/Cl)CCCC1 ZINC001495209812 1100892780 /nfs/dbraw/zinc/89/27/80/1100892780.db2.gz CSSOUXPAVMIHKA-GHXNOFRVSA-N 2 2 331.247 2.221 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CCCC2)sn1 ZINC001446514160 1100966276 /nfs/dbraw/zinc/96/62/76/1100966276.db2.gz WXAGEIGUYWIBTF-MRXNPFEDSA-N 2 2 347.488 2.113 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)Cn3cc[nH+]c3)C2)cc1C ZINC001446567335 1101052108 /nfs/dbraw/zinc/05/21/08/1101052108.db2.gz SDPPLVFQTKBRFI-IBGZPJMESA-N 2 2 326.444 2.281 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](Cc2nccs2)C1 ZINC001446699467 1101265690 /nfs/dbraw/zinc/26/56/90/1101265690.db2.gz ZWTFOQNZIYMCII-QGZVFWFLSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](Cc2nccs2)C1 ZINC001446699467 1101265695 /nfs/dbraw/zinc/26/56/95/1101265695.db2.gz ZWTFOQNZIYMCII-QGZVFWFLSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2nccs2)C1 ZINC001446699467 1101265709 /nfs/dbraw/zinc/26/57/09/1101265709.db2.gz ZWTFOQNZIYMCII-QGZVFWFLSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001446968269 1101678335 /nfs/dbraw/zinc/67/83/35/1101678335.db2.gz SMZVHYAXJPIROF-CVEARBPZSA-N 2 2 332.492 2.102 10 0 EEAELP C[N@H+](CCC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001447763756 1103258297 /nfs/dbraw/zinc/25/82/97/1103258297.db2.gz SLZDWNBEEXRGBO-IAGOWNOFSA-N 2 2 330.476 2.168 10 0 EEAELP C[N@@H+](CCC1CC1)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001447763756 1103258308 /nfs/dbraw/zinc/25/83/08/1103258308.db2.gz SLZDWNBEEXRGBO-IAGOWNOFSA-N 2 2 330.476 2.168 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CCC[C@@H]1CCOC1 ZINC001447787412 1103342592 /nfs/dbraw/zinc/34/25/92/1103342592.db2.gz XILPDKXTRKMAGS-SJORKVTESA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC[C@@H]1CCOC1 ZINC001447787412 1103342607 /nfs/dbraw/zinc/34/26/07/1103342607.db2.gz XILPDKXTRKMAGS-SJORKVTESA-N 2 2 348.491 2.000 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC001447851914 1103446578 /nfs/dbraw/zinc/44/65/78/1103446578.db2.gz FDMQRGGVIAERRF-GHMZBOCLSA-N 2 2 335.477 2.099 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC001447851914 1103446587 /nfs/dbraw/zinc/44/65/87/1103446587.db2.gz FDMQRGGVIAERRF-GHMZBOCLSA-N 2 2 335.477 2.099 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH+](C)Cc1ccn(C)n1 ZINC001448042053 1103876987 /nfs/dbraw/zinc/87/69/87/1103876987.db2.gz FFYMEYVMBQZIDE-OAHLLOKOSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)[NH+](C)Cc1ccn(C)n1 ZINC001448042053 1103876989 /nfs/dbraw/zinc/87/69/89/1103876989.db2.gz FFYMEYVMBQZIDE-OAHLLOKOSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)[NH+](C)C1CCCC1)[N@H+](C)Cc1ccn(C)n1 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ZINC001498465494 1107584109 /nfs/dbraw/zinc/58/41/09/1107584109.db2.gz IKYXEVPBRVCVDS-OAHLLOKOSA-N 2 2 342.443 2.061 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1OC1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001498465494 1107584117 /nfs/dbraw/zinc/58/41/17/1107584117.db2.gz IKYXEVPBRVCVDS-OAHLLOKOSA-N 2 2 342.443 2.061 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001498500196 1107640911 /nfs/dbraw/zinc/64/09/11/1107640911.db2.gz ZTUPEBQKLZJLMM-FUHWJXTLSA-N 2 2 332.492 2.417 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1OC1CC1)[NH+](C)C ZINC001499005306 1108445427 /nfs/dbraw/zinc/44/54/27/1108445427.db2.gz MGABRSIAJYWPKD-FUHWJXTLSA-N 2 2 345.487 2.259 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1OC1CC1)[NH+](C)C ZINC001499005306 1108445432 /nfs/dbraw/zinc/44/54/32/1108445432.db2.gz MGABRSIAJYWPKD-FUHWJXTLSA-N 2 2 345.487 2.259 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)CCc1c[nH+]cn1C ZINC001493781248 1108658623 /nfs/dbraw/zinc/65/86/23/1108658623.db2.gz 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EEAELP COC[C@@H](C)[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001503692346 1113900152 /nfs/dbraw/zinc/90/01/52/1113900152.db2.gz UTZBTIAIWZXUEQ-VQIMIIECSA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@@H](C)[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001503692346 1113900156 /nfs/dbraw/zinc/90/01/56/1113900156.db2.gz UTZBTIAIWZXUEQ-VQIMIIECSA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@@H](C)[NH+]1CCc2ccccc2[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001503692346 1113900161 /nfs/dbraw/zinc/90/01/61/1113900161.db2.gz UTZBTIAIWZXUEQ-VQIMIIECSA-N 2 2 347.503 2.077 10 0 EEAELP CCc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001505631477 1114097146 /nfs/dbraw/zinc/09/71/46/1114097146.db2.gz CZJUTNYGPWTNQP-VXGBXAGGSA-N 2 2 341.415 2.410 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]C[C@@H]2CCCCO2)CCCCC1 ZINC001506517983 1114667822 /nfs/dbraw/zinc/66/78/22/1114667822.db2.gz SPTZIGKRVPUCHZ-KRWDZBQOSA-N 2 2 348.491 2.251 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001506813521 1114891742 /nfs/dbraw/zinc/89/17/42/1114891742.db2.gz HRDLIPLRLCJXBW-DDBAPUKQSA-N 2 2 330.476 2.318 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001506813521 1114891743 /nfs/dbraw/zinc/89/17/43/1114891743.db2.gz HRDLIPLRLCJXBW-DDBAPUKQSA-N 2 2 330.476 2.318 10 0 EEAELP C[C@@H](CCC[NH2+]CC1CCOCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001506929482 1114981052 /nfs/dbraw/zinc/98/10/52/1114981052.db2.gz FOLRBZQEWIPGQR-HNNXBMFYSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1nc(C[NH2+][C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@H]2C)co1 ZINC001507290198 1115176228 /nfs/dbraw/zinc/17/62/28/1115176228.db2.gz QGBIFTKAMBZSQH-SUMWQHHRSA-N 2 2 345.447 2.047 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1cccc(F)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001507841705 1115357424 /nfs/dbraw/zinc/35/74/24/1115357424.db2.gz PASRWALSDDHSQL-UHFFFAOYSA-N 2 2 332.423 2.460 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1cccc(F)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001507841705 1115357429 /nfs/dbraw/zinc/35/74/29/1115357429.db2.gz PASRWALSDDHSQL-UHFFFAOYSA-N 2 2 332.423 2.460 10 0 EEAELP COCC[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001507940584 1115377634 /nfs/dbraw/zinc/37/76/34/1115377634.db2.gz XQAJESHQQMJJNA-HNNXBMFYSA-N 2 2 332.448 2.023 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C2CC[NH+](CCCCCF)CC2)CC1 ZINC001508166879 1115433535 /nfs/dbraw/zinc/43/35/35/1115433535.db2.gz VVKIHZBKFSXODR-UHFFFAOYSA-N 2 2 336.455 2.453 10 0 EEAELP CN(CCOCC[NH2+]CC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001508178836 1115435556 /nfs/dbraw/zinc/43/55/56/1115435556.db2.gz NDBZMZYRVJNQBU-UHFFFAOYSA-N 2 2 344.459 2.431 10 0 EEAELP COCCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001568002437 1124225231 /nfs/dbraw/zinc/22/52/31/1124225231.db2.gz UIALPMDKKLDYKN-UHFFFAOYSA-N 2 2 330.432 2.003 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC(CC[NH2+]CCC(F)(F)F)CC1 ZINC001568099275 1124302798 /nfs/dbraw/zinc/30/27/98/1124302798.db2.gz GNCBBOSBGIRLOJ-UHFFFAOYSA-N 2 2 332.370 2.054 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568679216 1124691705 /nfs/dbraw/zinc/69/17/05/1124691705.db2.gz IQEDFFCOTCOYNH-CGTJXYLNSA-N 2 2 340.471 2.251 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001569083269 1125086457 /nfs/dbraw/zinc/08/64/57/1125086457.db2.gz OYDKTDHFPJDJEZ-ZDUSSCGKSA-N 2 2 334.851 2.333 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001565866522 1125444258 /nfs/dbraw/zinc/44/42/58/1125444258.db2.gz MYGCFJCDGPLILB-CTYIDZIISA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001565866522 1125444261 /nfs/dbraw/zinc/44/42/61/1125444261.db2.gz MYGCFJCDGPLILB-CTYIDZIISA-N 2 2 347.850 2.075 10 0 EEAELP COCCN(C)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000248819937 539682481 /nfs/dbraw/zinc/68/24/81/539682481.db2.gz FLTYJYIKJQBQIN-KRWDZBQOSA-N 2 2 329.448 2.025 10 0 EEAELP COCCN(C)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cn1 ZINC000248819937 539682484 /nfs/dbraw/zinc/68/24/84/539682484.db2.gz FLTYJYIKJQBQIN-KRWDZBQOSA-N 2 2 329.448 2.025 10 0 EEAELP O=C(NCc1ccc(Cl)s1)[C@H]1CCC[N@@H+]1C1CC[NH2+]CC1 ZINC000071308376 202345991 /nfs/dbraw/zinc/34/59/91/202345991.db2.gz LZMGSXHOZZPPKV-CYBMUJFWSA-N 2 2 327.881 2.234 10 0 EEAELP O=C(NCc1ccc(Cl)s1)[C@H]1CCC[N@H+]1C1CC[NH2+]CC1 ZINC000071308376 202345993 /nfs/dbraw/zinc/34/59/93/202345993.db2.gz LZMGSXHOZZPPKV-CYBMUJFWSA-N 2 2 327.881 2.234 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422636970 240168821 /nfs/dbraw/zinc/16/88/21/240168821.db2.gz NXHFJVQVRHRKOO-OAHLLOKOSA-N 2 2 331.460 2.043 10 0 EEAELP FC(F)(F)COc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422726977 240194521 /nfs/dbraw/zinc/19/45/21/240194521.db2.gz BBHSRALZKXUPBQ-CVEARBPZSA-N 2 2 344.377 2.484 10 0 EEAELP Cc1ccc([C@H](CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000422884830 240274208 /nfs/dbraw/zinc/27/42/08/240274208.db2.gz XQXXMVYJWXOGPW-UHOSZYNNSA-N 2 2 333.476 2.082 10 0 EEAELP Cc1ccc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(C)[nH+]1 ZINC000447149589 242250346 /nfs/dbraw/zinc/25/03/46/242250346.db2.gz ALEWGNCRFJXHJD-ZIAGYGMSSA-N 2 2 332.448 2.016 10 0 EEAELP CC[C@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000245754896 243153733 /nfs/dbraw/zinc/15/37/33/243153733.db2.gz OLFZRQXBFVWVBK-WMZOPIPTSA-N 2 2 342.487 2.458 10 0 EEAELP CC[C@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000245754896 243153736 /nfs/dbraw/zinc/15/37/36/243153736.db2.gz OLFZRQXBFVWVBK-WMZOPIPTSA-N 2 2 342.487 2.458 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2c(Cl)cccc2N2CCOCC2)c1 ZINC000459668773 245203198 /nfs/dbraw/zinc/20/31/98/245203198.db2.gz TYWZQAJAQWSPHZ-UHFFFAOYSA-N 2 2 334.851 2.242 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000246242459 205188281 /nfs/dbraw/zinc/18/82/81/205188281.db2.gz IYFDSPSJZTXHEM-JYYAWHABSA-N 2 2 331.460 2.362 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000246242459 205188284 /nfs/dbraw/zinc/18/82/84/205188284.db2.gz IYFDSPSJZTXHEM-JYYAWHABSA-N 2 2 331.460 2.362 10 0 EEAELP O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271295685 256230345 /nfs/dbraw/zinc/23/03/45/256230345.db2.gz GXDVNPLIUXGMNM-UHFFFAOYSA-N 2 2 347.422 2.055 10 0 EEAELP O=C(NCC[N@H+]1CCc2ccccc2C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271295685 256230347 /nfs/dbraw/zinc/23/03/47/256230347.db2.gz GXDVNPLIUXGMNM-UHFFFAOYSA-N 2 2 347.422 2.055 10 0 EEAELP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH+]1CCC(C)CC1 ZINC000271309287 256231967 /nfs/dbraw/zinc/23/19/67/256231967.db2.gz KZKWEIMADQRPFG-HNNXBMFYSA-N 2 2 327.432 2.118 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374206440 154003288 /nfs/dbraw/zinc/00/32/88/154003288.db2.gz DSPDKGQGRKHETH-UHFFFAOYSA-N 2 2 342.443 2.256 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248908830 160367942 /nfs/dbraw/zinc/36/79/42/160367942.db2.gz XKQVMHYYKVJUJI-XLIONFOSSA-N 2 2 340.471 2.333 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000248908830 160367944 /nfs/dbraw/zinc/36/79/44/160367944.db2.gz XKQVMHYYKVJUJI-XLIONFOSSA-N 2 2 340.471 2.333 10 0 EEAELP CCc1nn(C)c(CC)c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000093148416 159230541 /nfs/dbraw/zinc/23/05/41/159230541.db2.gz NKESNORSPUXKDV-KRWDZBQOSA-N 2 2 347.551 2.147 10 0 EEAELP CCc1nn(C)c(CC)c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093148416 159230543 /nfs/dbraw/zinc/23/05/43/159230543.db2.gz NKESNORSPUXKDV-KRWDZBQOSA-N 2 2 347.551 2.147 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184237180 160004286 /nfs/dbraw/zinc/00/42/86/160004286.db2.gz XCOMOSKTJUQJHS-KRWDZBQOSA-N 2 2 330.476 2.383 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184237180 160004288 /nfs/dbraw/zinc/00/42/88/160004288.db2.gz XCOMOSKTJUQJHS-KRWDZBQOSA-N 2 2 330.476 2.383 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186542783 160074668 /nfs/dbraw/zinc/07/46/68/160074668.db2.gz ANXIRUVRACEAGM-SJORKVTESA-N 2 2 345.491 2.176 10 0 EEAELP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000245428868 160235063 /nfs/dbraw/zinc/23/50/63/160235063.db2.gz XSOCCUPCEBNOLD-RBUKOAKNSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000245428868 160235064 /nfs/dbraw/zinc/23/50/64/160235064.db2.gz XSOCCUPCEBNOLD-RBUKOAKNSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245428868 160235065 /nfs/dbraw/zinc/23/50/65/160235065.db2.gz XSOCCUPCEBNOLD-RBUKOAKNSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245428868 160235066 /nfs/dbraw/zinc/23/50/66/160235066.db2.gz XSOCCUPCEBNOLD-RBUKOAKNSA-N 2 2 345.462 2.487 10 0 EEAELP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245722747 160249469 /nfs/dbraw/zinc/24/94/69/160249469.db2.gz RNOZZADBVYWBKJ-HUUCEWRRSA-N 2 2 342.846 2.085 10 0 EEAELP C[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245722747 160249471 /nfs/dbraw/zinc/24/94/71/160249471.db2.gz RNOZZADBVYWBKJ-HUUCEWRRSA-N 2 2 342.846 2.085 10 0 EEAELP CC[C@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000246158644 160264882 /nfs/dbraw/zinc/26/48/82/160264882.db2.gz LOIMZKMWZPMDDF-SJORKVTESA-N 2 2 347.507 2.260 10 0 EEAELP CC[C@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@H+]1CCOC ZINC000246158644 160264883 /nfs/dbraw/zinc/26/48/83/160264883.db2.gz LOIMZKMWZPMDDF-SJORKVTESA-N 2 2 347.507 2.260 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246606007 160286527 /nfs/dbraw/zinc/28/65/27/160286527.db2.gz KRHBQZWZWHEHJZ-IRXDYDNUSA-N 2 2 333.480 2.178 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246606007 160286528 /nfs/dbraw/zinc/28/65/28/160286528.db2.gz KRHBQZWZWHEHJZ-IRXDYDNUSA-N 2 2 333.480 2.178 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000248390786 160343281 /nfs/dbraw/zinc/34/32/81/160343281.db2.gz CIXUAZATOLZDKX-GUDVDZBRSA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000248390786 160343283 /nfs/dbraw/zinc/34/32/83/160343283.db2.gz CIXUAZATOLZDKX-GUDVDZBRSA-N 2 2 345.487 2.049 10 0 EEAELP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccn1C ZINC000341763499 161011446 /nfs/dbraw/zinc/01/14/46/161011446.db2.gz ZOPKCFQMNYKGAC-SFHVURJKSA-N 2 2 328.460 2.493 10 0 EEAELP CC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[C@H](C)C1 ZINC000341835372 161017308 /nfs/dbraw/zinc/01/73/08/161017308.db2.gz BFJYRALUXQTAAZ-GFCCVEGCSA-N 2 2 349.385 2.371 10 0 EEAELP CC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[C@H](C)C1 ZINC000341835372 161017309 /nfs/dbraw/zinc/01/73/09/161017309.db2.gz BFJYRALUXQTAAZ-GFCCVEGCSA-N 2 2 349.385 2.371 10 0 EEAELP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927616 161181281 /nfs/dbraw/zinc/18/12/81/161181281.db2.gz SJJSIEOHMYAITI-OAGGEKHMSA-N 2 2 349.523 2.386 10 0 EEAELP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927616 161181282 /nfs/dbraw/zinc/18/12/82/161181282.db2.gz SJJSIEOHMYAITI-OAGGEKHMSA-N 2 2 349.523 2.386 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)OCO2 ZINC000344690274 161236293 /nfs/dbraw/zinc/23/62/93/161236293.db2.gz WWMYZUQPFYZOHV-HIFRSBDPSA-N 2 2 336.432 2.013 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)OCO2 ZINC000344690274 161236294 /nfs/dbraw/zinc/23/62/94/161236294.db2.gz WWMYZUQPFYZOHV-HIFRSBDPSA-N 2 2 336.432 2.013 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000346045307 161352537 /nfs/dbraw/zinc/35/25/37/161352537.db2.gz HWJFNJCJRNIMCE-UHFFFAOYSA-N 2 2 345.491 2.096 10 0 EEAELP CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1(C(=O)OC)CCC1 ZINC000423224266 286933881 /nfs/dbraw/zinc/93/38/81/286933881.db2.gz BOYDVTNIPNYBRP-OAHLLOKOSA-N 2 2 332.448 2.025 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(C)(C3CC3)CC2)CC1 ZINC000358958474 164023266 /nfs/dbraw/zinc/02/32/66/164023266.db2.gz OXCUZUPWJAONID-UHFFFAOYSA-N 2 2 336.524 2.234 10 0 EEAELP C[N@H+](CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000369106484 166190414 /nfs/dbraw/zinc/19/04/14/166190414.db2.gz IVDIFAJEYBFJFN-OAHLLOKOSA-N 2 2 345.491 2.203 10 0 EEAELP C[N@@H+](CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000369106484 166190417 /nfs/dbraw/zinc/19/04/17/166190417.db2.gz IVDIFAJEYBFJFN-OAHLLOKOSA-N 2 2 345.491 2.203 10 0 EEAELP C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+]1CCCCCC1 ZINC000369323266 166236428 /nfs/dbraw/zinc/23/64/28/166236428.db2.gz JXGUORIGQYSQSW-INIZCTEOSA-N 2 2 330.476 2.431 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCCNc1cccc[nH+]1 ZINC000278893922 269248538 /nfs/dbraw/zinc/24/85/38/269248538.db2.gz QCNMHBSQXLZYNI-UHFFFAOYSA-N 2 2 338.411 2.160 10 0 EEAELP CCC[C@H](C)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182189435 274010621 /nfs/dbraw/zinc/01/06/21/274010621.db2.gz HXDJHJHKKSMEEH-DLBZAZTESA-N 2 2 347.507 2.308 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000245608397 277136648 /nfs/dbraw/zinc/13/66/48/277136648.db2.gz AXGXHWKXVHPJHC-IAGOWNOFSA-N 2 2 327.432 2.018 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000245608397 277136650 /nfs/dbraw/zinc/13/66/50/277136650.db2.gz AXGXHWKXVHPJHC-IAGOWNOFSA-N 2 2 327.432 2.018 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000298006097 294395300 /nfs/dbraw/zinc/39/53/00/294395300.db2.gz DKGGLRHUNXDDAZ-UHFFFAOYSA-N 2 2 343.475 2.485 10 0 EEAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333694481 312183983 /nfs/dbraw/zinc/18/39/83/312183983.db2.gz QBOGMMRMYLGOHH-YOEHRIQHSA-N 2 2 345.491 2.106 10 0 EEAELP C[C@@H]1CCCN(c2cc(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)[nH+]cn2)C1 ZINC000333865093 312207170 /nfs/dbraw/zinc/20/71/70/312207170.db2.gz QVPMOHZXPSUALO-OGWOLHLISA-N 2 2 345.491 2.046 10 0 EEAELP C[C@@H]1CCCN(c2cc(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)nc[nH+]2)C1 ZINC000333865093 312207173 /nfs/dbraw/zinc/20/71/73/312207173.db2.gz QVPMOHZXPSUALO-OGWOLHLISA-N 2 2 345.491 2.046 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000340471338 312258494 /nfs/dbraw/zinc/25/84/94/312258494.db2.gz VOUHQQFFYZTARY-QGZVFWFLSA-N 2 2 331.439 2.450 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416851626 313336531 /nfs/dbraw/zinc/33/65/31/313336531.db2.gz LKRGXYMWUMMMNE-IYBDPMFKSA-N 2 2 341.459 2.271 10 0 EEAELP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000417074491 313414127 /nfs/dbraw/zinc/41/41/27/313414127.db2.gz MZOOUBVMQOPWPT-SFHVURJKSA-N 2 2 341.459 2.072 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]([NH3+])C2CC2)c(C)c1 ZINC000417929286 313653617 /nfs/dbraw/zinc/65/36/17/313653617.db2.gz ILBUPPXOVICESO-ROUUACIJSA-N 2 2 341.459 2.278 10 0 EEAELP Cn1cc(Cl)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000420951250 314008105 /nfs/dbraw/zinc/00/81/05/314008105.db2.gz SKBSUYHQGWNAFH-UHFFFAOYSA-N 2 2 340.899 2.398 10 0 EEAELP Cc1c(Cl)c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)nn1C ZINC000421341668 314088388 /nfs/dbraw/zinc/08/83/88/314088388.db2.gz KTBJJGLLUKJNFY-UHFFFAOYSA-N 2 2 337.855 2.007 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000422602304 314293233 /nfs/dbraw/zinc/29/32/33/314293233.db2.gz FVVNVVSKPNEVCZ-HUUCEWRRSA-N 2 2 340.418 2.137 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000422602304 314293234 /nfs/dbraw/zinc/29/32/34/314293234.db2.gz FVVNVVSKPNEVCZ-HUUCEWRRSA-N 2 2 340.418 2.137 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000525991467 317102109 /nfs/dbraw/zinc/10/21/09/317102109.db2.gz OJVRCWSMDOVHCI-KMFMINBZSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000525991467 317102112 /nfs/dbraw/zinc/10/21/12/317102112.db2.gz OJVRCWSMDOVHCI-KMFMINBZSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000525991467 317102113 /nfs/dbraw/zinc/10/21/13/317102113.db2.gz OJVRCWSMDOVHCI-KMFMINBZSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000525991467 317102117 /nfs/dbraw/zinc/10/21/17/317102117.db2.gz OJVRCWSMDOVHCI-KMFMINBZSA-N 2 2 330.476 2.381 10 0 EEAELP CC1([NH+]2CCOCC2)CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000528726276 317463224 /nfs/dbraw/zinc/46/32/24/317463224.db2.gz DRCGPOFPKSLYRT-LJQANCHMSA-N 2 2 332.488 2.167 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C1=O ZINC000543087788 318150895 /nfs/dbraw/zinc/15/08/95/318150895.db2.gz VOZFNAPPRGJCHQ-SJORKVTESA-N 2 2 342.418 2.327 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3[C@H](C)C[C@H]3C)CC2)cc1 ZINC000548096880 318354800 /nfs/dbraw/zinc/35/48/00/318354800.db2.gz RTQONTNOQVPDHG-IAGOWNOFSA-N 2 2 345.487 2.212 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3[C@H](C)C[C@H]3C)CC2)cc1 ZINC000548096880 318354802 /nfs/dbraw/zinc/35/48/02/318354802.db2.gz RTQONTNOQVPDHG-IAGOWNOFSA-N 2 2 345.487 2.212 10 0 EEAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563811267 319045491 /nfs/dbraw/zinc/04/54/91/319045491.db2.gz WUEMUARJELBZER-BEFAXECRSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563811267 319045493 /nfs/dbraw/zinc/04/54/93/319045493.db2.gz WUEMUARJELBZER-BEFAXECRSA-N 2 2 331.460 2.488 10 0 EEAELP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000567572497 319391924 /nfs/dbraw/zinc/39/19/24/319391924.db2.gz AVMHJRDLGJCVIY-JKSUJKDBSA-N 2 2 345.491 2.108 10 0 EEAELP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572843392 319882635 /nfs/dbraw/zinc/88/26/35/319882635.db2.gz CNELMOVUBSFMMG-FQEVSTJZSA-N 2 2 338.455 2.076 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)s1 ZINC000574987205 320077367 /nfs/dbraw/zinc/07/73/67/320077367.db2.gz MDLFCLKYEZETKJ-KGLIPLIRSA-N 2 2 338.521 2.264 10 0 EEAELP CN(C)c1[nH]c2ccc(NC(=O)CCN(C)c3cc[nH+]cc3)cc2[nH+]1 ZINC000576609972 320188282 /nfs/dbraw/zinc/18/82/82/320188282.db2.gz JPFXLMYHQUUDSV-UHFFFAOYSA-N 2 2 338.415 2.489 10 0 EEAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC1C2CC3CC(C2)CC1C3 ZINC000578013129 320289146 /nfs/dbraw/zinc/28/91/46/320289146.db2.gz DKFLIYIHUNMNOM-UMSBGXLASA-N 2 2 331.504 2.003 10 0 EEAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC1C2CC3CC(C2)CC1C3 ZINC000578013129 320289147 /nfs/dbraw/zinc/28/91/47/320289147.db2.gz DKFLIYIHUNMNOM-UMSBGXLASA-N 2 2 331.504 2.003 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC000581150400 324195406 /nfs/dbraw/zinc/19/54/06/324195406.db2.gz TUAOTAYLAPVXIH-SFHVURJKSA-N 2 2 337.427 2.334 10 0 EEAELP Fc1ccc(-n2ccc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)n2)cc1 ZINC000583017915 324575629 /nfs/dbraw/zinc/57/56/29/324575629.db2.gz KRIWMGGJBRSXSQ-UHFFFAOYSA-N 2 2 326.379 2.057 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000533329461 448388032 /nfs/dbraw/zinc/38/80/32/448388032.db2.gz NSBPXSFMJZYKFS-UHFFFAOYSA-N 2 2 340.431 2.065 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000358311340 465051383 /nfs/dbraw/zinc/05/13/83/465051383.db2.gz YXOWUHODXNNXNI-XJKCOSOUSA-N 2 2 330.394 2.396 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000358311340 465051387 /nfs/dbraw/zinc/05/13/87/465051387.db2.gz YXOWUHODXNNXNI-XJKCOSOUSA-N 2 2 330.394 2.396 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000590622567 468289367 /nfs/dbraw/zinc/28/93/67/468289367.db2.gz WKQLIGLWQYIMCD-UXHICEINSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000590622567 468289372 /nfs/dbraw/zinc/28/93/72/468289372.db2.gz WKQLIGLWQYIMCD-UXHICEINSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000590622567 468289377 /nfs/dbraw/zinc/28/93/77/468289377.db2.gz WKQLIGLWQYIMCD-UXHICEINSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000590622567 468289381 /nfs/dbraw/zinc/28/93/81/468289381.db2.gz WKQLIGLWQYIMCD-UXHICEINSA-N 2 2 328.456 2.145 10 0 EEAELP C[C@@H]1CN(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000337493336 465397812 /nfs/dbraw/zinc/39/78/12/465397812.db2.gz PDKUNDJBLDMRPA-SJORKVTESA-N 2 2 332.492 2.120 10 0 EEAELP C[C@@H]1CN(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000337493336 465397820 /nfs/dbraw/zinc/39/78/20/465397820.db2.gz PDKUNDJBLDMRPA-SJORKVTESA-N 2 2 332.492 2.120 10 0 EEAELP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)Oc2ccccc2)CC1 ZINC000095977647 463122110 /nfs/dbraw/zinc/12/21/10/463122110.db2.gz JXPUBUCTMMMJQN-UHFFFAOYSA-N 2 2 328.416 2.398 10 0 EEAELP CNC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3Cl)CC2)c1 ZINC000095980420 463124400 /nfs/dbraw/zinc/12/44/00/463124400.db2.gz FARVJFKXSXPPHF-UHFFFAOYSA-N 2 2 344.846 2.417 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCc3ccccc3F)CC2)cc[nH+]1 ZINC000121401844 463129869 /nfs/dbraw/zinc/12/98/69/463129869.db2.gz HQJCNIWGDMYGRE-UHFFFAOYSA-N 2 2 329.423 2.046 10 0 EEAELP CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000123467092 463343991 /nfs/dbraw/zinc/34/39/91/463343991.db2.gz GMOHWJZHBXROHS-UYAOXDASSA-N 2 2 346.519 2.077 10 0 EEAELP CC[C@@](C)(O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000123467092 463343995 /nfs/dbraw/zinc/34/39/95/463343995.db2.gz GMOHWJZHBXROHS-UYAOXDASSA-N 2 2 346.519 2.077 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000123675308 463360529 /nfs/dbraw/zinc/36/05/29/463360529.db2.gz DOJICUUUJVKKLG-INIZCTEOSA-N 2 2 347.484 2.149 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000123675308 463360531 /nfs/dbraw/zinc/36/05/31/463360531.db2.gz DOJICUUUJVKKLG-INIZCTEOSA-N 2 2 347.484 2.149 10 0 EEAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105875635 463485015 /nfs/dbraw/zinc/48/50/15/463485015.db2.gz MGDOQLDSVIBVDB-WBVHZDCISA-N 2 2 332.492 2.370 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000057832259 463522806 /nfs/dbraw/zinc/52/28/06/463522806.db2.gz ZGPQVAGMHSCKEU-KRWDZBQOSA-N 2 2 326.444 2.457 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NCc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000057832259 463522811 /nfs/dbraw/zinc/52/28/11/463522811.db2.gz ZGPQVAGMHSCKEU-KRWDZBQOSA-N 2 2 326.444 2.457 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)N(C)Cc1ccccc1 ZINC000083888339 463566326 /nfs/dbraw/zinc/56/63/26/463566326.db2.gz GQDFPDKLPXBBJH-DOTOQJQBSA-N 2 2 326.444 2.397 10 0 EEAELP CC1CC[NH+]([C@H](CNC(=O)Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000073024838 463576130 /nfs/dbraw/zinc/57/61/30/463576130.db2.gz TZPRXAIKHMLLJL-GOSISDBHSA-N 2 2 326.444 2.473 10 0 EEAELP O=C1[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1c1ccccc1F ZINC000084505975 463608699 /nfs/dbraw/zinc/60/86/99/463608699.db2.gz XMQXTVFEGMJCIM-ZFWWWQNUSA-N 2 2 328.391 2.295 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000073606156 463631278 /nfs/dbraw/zinc/63/12/78/463631278.db2.gz PPJVDFKLEBSVEI-INIZCTEOSA-N 2 2 342.443 2.152 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000073606156 463631285 /nfs/dbraw/zinc/63/12/85/463631285.db2.gz PPJVDFKLEBSVEI-INIZCTEOSA-N 2 2 342.443 2.152 10 0 EEAELP Cc1cccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1O ZINC000126840871 463666196 /nfs/dbraw/zinc/66/61/96/463666196.db2.gz XHKSOJOIGFCUSG-SJPCQFCGSA-N 2 2 343.471 2.084 10 0 EEAELP Cc1cccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1O ZINC000126840871 463666202 /nfs/dbraw/zinc/66/62/02/463666202.db2.gz XHKSOJOIGFCUSG-SJPCQFCGSA-N 2 2 343.471 2.084 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268835313 463791384 /nfs/dbraw/zinc/79/13/84/463791384.db2.gz LNQHWVAZKCJDMJ-HLAWJBBLSA-N 3 2 345.531 2.476 10 0 EEAELP c1cn(-c2csc(CN3CC[NH2+]C[C@@H]3c3cccnc3)c2)c[nH+]1 ZINC000261628718 463807348 /nfs/dbraw/zinc/80/73/48/463807348.db2.gz FCDVTVQWFMMJFW-QGZVFWFLSA-N 2 2 325.441 2.475 10 0 EEAELP Fc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000261787412 463860266 /nfs/dbraw/zinc/86/02/66/463860266.db2.gz QECOVVRUHGSTIH-CYBMUJFWSA-N 2 2 342.256 2.068 10 0 EEAELP Fc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000261787412 463860272 /nfs/dbraw/zinc/86/02/72/463860272.db2.gz QECOVVRUHGSTIH-CYBMUJFWSA-N 2 2 342.256 2.068 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1C ZINC000284423030 464186865 /nfs/dbraw/zinc/18/68/65/464186865.db2.gz DAFLBIJLPLGMJK-HNAYVOBHSA-N 2 2 338.459 2.241 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cnn3ccccc23)CCC[N@H+]1C ZINC000284423030 464186871 /nfs/dbraw/zinc/18/68/71/464186871.db2.gz DAFLBIJLPLGMJK-HNAYVOBHSA-N 2 2 338.459 2.241 10 0 EEAELP CCn1cc([C@@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000180578187 464341284 /nfs/dbraw/zinc/34/12/84/464341284.db2.gz SLTCZKYKFJDXQN-UKRRQHHQSA-N 2 2 329.452 2.054 10 0 EEAELP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000174273989 464387012 /nfs/dbraw/zinc/38/70/12/464387012.db2.gz WXSCILUBDBULAK-UHFFFAOYSA-N 2 2 335.452 2.055 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245414471 464478565 /nfs/dbraw/zinc/47/85/65/464478565.db2.gz CIJJKXMNOOQEQI-SUMWQHHRSA-N 2 2 339.430 2.243 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245414471 464478572 /nfs/dbraw/zinc/47/85/72/464478572.db2.gz CIJJKXMNOOQEQI-SUMWQHHRSA-N 2 2 339.430 2.243 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245414471 464478576 /nfs/dbraw/zinc/47/85/76/464478576.db2.gz CIJJKXMNOOQEQI-SUMWQHHRSA-N 2 2 339.430 2.243 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245414471 464478581 /nfs/dbraw/zinc/47/85/81/464478581.db2.gz CIJJKXMNOOQEQI-SUMWQHHRSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@H](O)CNc1cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)nc[nH+]1 ZINC000294455969 464504719 /nfs/dbraw/zinc/50/47/19/464504719.db2.gz QFHHWPRSTAROOM-JOQOYGCGSA-N 2 2 327.432 2.127 10 0 EEAELP C[C@H](O)CNc1cc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nc[nH+]1 ZINC000294455969 464504726 /nfs/dbraw/zinc/50/47/26/464504726.db2.gz QFHHWPRSTAROOM-JOQOYGCGSA-N 2 2 327.432 2.127 10 0 EEAELP Cc1nc(N2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000183803547 464912727 /nfs/dbraw/zinc/91/27/27/464912727.db2.gz VCCONWMKCQBUNJ-UHFFFAOYSA-N 2 2 343.406 2.075 10 0 EEAELP COC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000249854117 464919810 /nfs/dbraw/zinc/91/98/10/464919810.db2.gz PVLPNKUGOZXSRE-MOPGFXCFSA-N 2 2 346.519 2.198 10 0 EEAELP COC[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000249854117 464919817 /nfs/dbraw/zinc/91/98/17/464919817.db2.gz PVLPNKUGOZXSRE-MOPGFXCFSA-N 2 2 346.519 2.198 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000177343920 464991490 /nfs/dbraw/zinc/99/14/90/464991490.db2.gz JCFMWDLXHQEQPW-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000177343920 464991496 /nfs/dbraw/zinc/99/14/96/464991496.db2.gz JCFMWDLXHQEQPW-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000177379574 464999572 /nfs/dbraw/zinc/99/95/72/464999572.db2.gz GRTROVUTNXQXDV-ZIAGYGMSSA-N 2 2 337.439 2.038 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000348013462 465370860 /nfs/dbraw/zinc/37/08/60/465370860.db2.gz NGLTUXVKQCBWQQ-MRXNPFEDSA-N 2 2 345.491 2.021 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000348013462 465370865 /nfs/dbraw/zinc/37/08/65/465370865.db2.gz NGLTUXVKQCBWQQ-MRXNPFEDSA-N 2 2 345.491 2.021 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000361009615 465700000 /nfs/dbraw/zinc/70/00/00/465700000.db2.gz SMPCBZSJVSLKSP-HNNXBMFYSA-N 2 2 340.851 2.327 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C(=O)OC)ccc1Cl ZINC000361009615 465700006 /nfs/dbraw/zinc/70/00/06/465700006.db2.gz SMPCBZSJVSLKSP-HNNXBMFYSA-N 2 2 340.851 2.327 10 0 EEAELP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)c1 ZINC000371376709 465754316 /nfs/dbraw/zinc/75/43/16/465754316.db2.gz ZJABTORJKZUOCB-OAHLLOKOSA-N 2 2 341.459 2.354 10 0 EEAELP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)c1 ZINC000371376709 465754325 /nfs/dbraw/zinc/75/43/25/465754325.db2.gz ZJABTORJKZUOCB-OAHLLOKOSA-N 2 2 341.459 2.354 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+](C)CC(C)(CO)CO ZINC000361323029 465906489 /nfs/dbraw/zinc/90/64/89/465906489.db2.gz CBYWZTYUFQTIHU-UHFFFAOYSA-N 2 2 333.476 2.438 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+](C)CC(C)(CO)CO ZINC000361323029 465906493 /nfs/dbraw/zinc/90/64/93/465906493.db2.gz CBYWZTYUFQTIHU-UHFFFAOYSA-N 2 2 333.476 2.438 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1)OCO2 ZINC000340436998 466091588 /nfs/dbraw/zinc/09/15/88/466091588.db2.gz LDLDVFLPLBMFHG-CQSZACIVSA-N 2 2 347.415 2.063 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1)OCO2 ZINC000340436995 466092224 /nfs/dbraw/zinc/09/22/24/466092224.db2.gz LDLDVFLPLBMFHG-AWEZNQCLSA-N 2 2 347.415 2.063 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000340513389 466146760 /nfs/dbraw/zinc/14/67/60/466146760.db2.gz CTFALLINGRGTGC-QGZVFWFLSA-N 2 2 345.418 2.091 10 0 EEAELP C[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000367144754 466157206 /nfs/dbraw/zinc/15/72/06/466157206.db2.gz GMUZSFHWERNCEI-HNNXBMFYSA-N 2 2 345.491 2.203 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000302803495 466187993 /nfs/dbraw/zinc/18/79/93/466187993.db2.gz VIEIOVASZGGFAH-ZDUSSCGKSA-N 2 2 328.391 2.203 10 0 EEAELP Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000340587552 466189175 /nfs/dbraw/zinc/18/91/75/466189175.db2.gz KTZIJDYEKCBGDG-LSDHHAIUSA-N 2 2 346.866 2.757 10 0 EEAELP Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000340587552 466189181 /nfs/dbraw/zinc/18/91/81/466189181.db2.gz KTZIJDYEKCBGDG-LSDHHAIUSA-N 2 2 346.866 2.757 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C)CC1 ZINC000349873455 466286692 /nfs/dbraw/zinc/28/66/92/466286692.db2.gz CMRCVGUQAKJMDN-DLBZAZTESA-N 2 2 347.528 2.329 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2C)CC1 ZINC000349873455 466286698 /nfs/dbraw/zinc/28/66/98/466286698.db2.gz CMRCVGUQAKJMDN-DLBZAZTESA-N 2 2 347.528 2.329 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)CC(C)C ZINC000358004272 466381523 /nfs/dbraw/zinc/38/15/23/466381523.db2.gz OQUBRSBVEKFRNU-LSDHHAIUSA-N 2 2 335.496 2.323 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)CC(C)C ZINC000358004272 466381528 /nfs/dbraw/zinc/38/15/28/466381528.db2.gz OQUBRSBVEKFRNU-LSDHHAIUSA-N 2 2 335.496 2.323 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)[C@@H]2CCC[C@@H]21 ZINC000367596976 466438247 /nfs/dbraw/zinc/43/82/47/466438247.db2.gz KVPRXXDGSMYJJN-ULQDDVLXSA-N 2 2 341.459 2.346 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)[C@@H]2CCC[C@@H]21 ZINC000367596976 466438254 /nfs/dbraw/zinc/43/82/54/466438254.db2.gz KVPRXXDGSMYJJN-ULQDDVLXSA-N 2 2 341.459 2.346 10 0 EEAELP CC[NH+](CC)CC[C@@H](CO)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000340936112 466448372 /nfs/dbraw/zinc/44/83/72/466448372.db2.gz WUVRPYFPHJUMIM-KRWDZBQOSA-N 2 2 343.475 2.082 10 0 EEAELP C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000332931838 466590701 /nfs/dbraw/zinc/59/07/01/466590701.db2.gz XKULNUZGTPDYIZ-VGUREELVSA-N 2 2 345.491 2.491 10 0 EEAELP C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1n1cc[nH+]c1 ZINC000332931838 466590706 /nfs/dbraw/zinc/59/07/06/466590706.db2.gz XKULNUZGTPDYIZ-VGUREELVSA-N 2 2 345.491 2.491 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000341124752 466602634 /nfs/dbraw/zinc/60/26/34/466602634.db2.gz JTELTZFMEQTKIM-GOSISDBHSA-N 2 2 326.444 2.399 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000341124752 466602637 /nfs/dbraw/zinc/60/26/37/466602637.db2.gz JTELTZFMEQTKIM-GOSISDBHSA-N 2 2 326.444 2.399 10 0 EEAELP CC[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422803397 466683614 /nfs/dbraw/zinc/68/36/14/466683614.db2.gz FTJVLIXFQNCHPD-NJYVYQBISA-N 2 2 343.515 2.180 10 0 EEAELP CC[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422803397 466683619 /nfs/dbraw/zinc/68/36/19/466683619.db2.gz FTJVLIXFQNCHPD-NJYVYQBISA-N 2 2 343.515 2.180 10 0 EEAELP CC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422803397 466683622 /nfs/dbraw/zinc/68/36/22/466683622.db2.gz FTJVLIXFQNCHPD-NJYVYQBISA-N 2 2 343.515 2.180 10 0 EEAELP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423251521 466704414 /nfs/dbraw/zinc/70/44/14/466704414.db2.gz WNEARMVVJDFYFP-SUMWQHHRSA-N 2 2 333.457 2.409 10 0 EEAELP C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C[NH3+] ZINC000417068918 466770148 /nfs/dbraw/zinc/77/01/48/466770148.db2.gz JQPURPCDTZCHDP-QAPCUYQASA-N 2 2 341.459 2.058 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC1CCCC1 ZINC000370307420 466832532 /nfs/dbraw/zinc/83/25/32/466832532.db2.gz ZWTDHVDQKIYBRM-OAHLLOKOSA-N 2 2 330.476 2.458 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NC1CCCC1 ZINC000370307420 466832540 /nfs/dbraw/zinc/83/25/40/466832540.db2.gz ZWTDHVDQKIYBRM-OAHLLOKOSA-N 2 2 330.476 2.458 10 0 EEAELP [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000418239436 467082714 /nfs/dbraw/zinc/08/27/14/467082714.db2.gz OWENHBQHORHSTG-HUUCEWRRSA-N 2 2 327.432 2.046 10 0 EEAELP [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000418239436 467082716 /nfs/dbraw/zinc/08/27/16/467082716.db2.gz OWENHBQHORHSTG-HUUCEWRRSA-N 2 2 327.432 2.046 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418529635 467124581 /nfs/dbraw/zinc/12/45/81/467124581.db2.gz QDLKRRIHFIRPIB-UONOGXRCSA-N 2 2 338.883 2.466 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000426610124 467144111 /nfs/dbraw/zinc/14/41/11/467144111.db2.gz JNABIDILDXTKDV-CQSZACIVSA-N 2 2 346.466 2.232 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC000426610124 467144114 /nfs/dbraw/zinc/14/41/14/467144114.db2.gz JNABIDILDXTKDV-CQSZACIVSA-N 2 2 346.466 2.232 10 0 EEAELP O=C1CC[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1 ZINC000450929249 467209026 /nfs/dbraw/zinc/20/90/26/467209026.db2.gz UBQXVWRLRXXPCI-CVEARBPZSA-N 2 2 330.476 2.315 10 0 EEAELP O=C1CC[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1 ZINC000450929249 467209030 /nfs/dbraw/zinc/20/90/30/467209030.db2.gz UBQXVWRLRXXPCI-CVEARBPZSA-N 2 2 330.476 2.315 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420354666 467374893 /nfs/dbraw/zinc/37/48/93/467374893.db2.gz BYTRBHHALNNCFW-DNVCBOLYSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420354666 467374895 /nfs/dbraw/zinc/37/48/95/467374895.db2.gz BYTRBHHALNNCFW-DNVCBOLYSA-N 2 2 331.460 2.488 10 0 EEAELP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1OCC(=O)N(C)C ZINC000414127049 467380072 /nfs/dbraw/zinc/38/00/72/467380072.db2.gz PDVQSCBFONFCOM-QGZVFWFLSA-N 2 2 344.459 2.171 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420379480 467386571 /nfs/dbraw/zinc/38/65/71/467386571.db2.gz RCWDPGCXNFOUGY-UZLBHIALSA-N 2 2 345.487 2.290 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420379480 467386575 /nfs/dbraw/zinc/38/65/75/467386575.db2.gz RCWDPGCXNFOUGY-UZLBHIALSA-N 2 2 345.487 2.290 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(F)(c3ccccc3)CC2)CC1 ZINC000434499925 467404584 /nfs/dbraw/zinc/40/45/84/467404584.db2.gz OPYCLPVHXATRGO-QGZVFWFLSA-N 2 2 347.478 2.500 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000391955182 467424228 /nfs/dbraw/zinc/42/42/28/467424228.db2.gz VXUUUMRVMBZXKE-AEFFLSMTSA-N 2 2 333.451 2.248 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000391955182 467424233 /nfs/dbraw/zinc/42/42/33/467424233.db2.gz VXUUUMRVMBZXKE-AEFFLSMTSA-N 2 2 333.451 2.248 10 0 EEAELP C[NH2+]C[C@H](C)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414751499 467435181 /nfs/dbraw/zinc/43/51/81/467435181.db2.gz NOCPFDVAJVIZFT-LBPRGKRZSA-N 2 2 325.482 2.106 10 0 EEAELP CC[C@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457008401 467730020 /nfs/dbraw/zinc/73/00/20/467730020.db2.gz CKFGTNFEGWSPLW-GUDVDZBRSA-N 2 2 345.487 2.049 10 0 EEAELP CC[C@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000457008401 467730025 /nfs/dbraw/zinc/73/00/25/467730025.db2.gz CKFGTNFEGWSPLW-GUDVDZBRSA-N 2 2 345.487 2.049 10 0 EEAELP Cc1nc(N2CC[NH+](C[C@@H](O)[C@@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000450749489 467901553 /nfs/dbraw/zinc/90/15/53/467901553.db2.gz ZIOFSOKVLFZDDE-MAUKXSAKSA-N 2 2 326.444 2.072 10 0 EEAELP CC(C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000529800613 467911727 /nfs/dbraw/zinc/91/17/27/467911727.db2.gz LJEAHHZYRMAZDJ-SFHVURJKSA-N 2 2 326.444 2.252 10 0 EEAELP CC(C)[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000529800613 467911728 /nfs/dbraw/zinc/91/17/28/467911728.db2.gz LJEAHHZYRMAZDJ-SFHVURJKSA-N 2 2 326.444 2.252 10 0 EEAELP CN1CC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000590077249 468211136 /nfs/dbraw/zinc/21/11/36/468211136.db2.gz PDFHOJOEDYZUSY-FQEVSTJZSA-N 2 2 339.483 2.431 10 0 EEAELP CN1CC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)Cc2ccccc21 ZINC000590077249 468211140 /nfs/dbraw/zinc/21/11/40/468211140.db2.gz PDFHOJOEDYZUSY-FQEVSTJZSA-N 2 2 339.483 2.431 10 0 EEAELP CN1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000590077249 468211145 /nfs/dbraw/zinc/21/11/45/468211145.db2.gz PDFHOJOEDYZUSY-FQEVSTJZSA-N 2 2 339.483 2.431 10 0 EEAELP CN1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)Cc2ccccc21 ZINC000590077249 468211149 /nfs/dbraw/zinc/21/11/49/468211149.db2.gz PDFHOJOEDYZUSY-FQEVSTJZSA-N 2 2 339.483 2.431 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000557481648 468632826 /nfs/dbraw/zinc/63/28/26/468632826.db2.gz PAYIJFHAKOGKMU-SUMWQHHRSA-N 2 2 330.407 2.107 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000557481648 468632829 /nfs/dbraw/zinc/63/28/29/468632829.db2.gz PAYIJFHAKOGKMU-SUMWQHHRSA-N 2 2 330.407 2.107 10 0 EEAELP COC(=O)c1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(C)o1 ZINC000594609514 468635786 /nfs/dbraw/zinc/63/57/86/468635786.db2.gz QGMBVPVUWJBUMS-UHFFFAOYSA-N 2 2 338.448 2.354 10 0 EEAELP O[C@H](C[NH2+]Cc1cc2cccnc2o1)C[N@@H+]1CCc2ccccc2C1 ZINC000583362546 468684881 /nfs/dbraw/zinc/68/48/81/468684881.db2.gz YGDDMTMQFBZURX-GOSISDBHSA-N 2 2 337.423 2.337 10 0 EEAELP O[C@H](C[NH2+]Cc1cc2cccnc2o1)C[N@H+]1CCc2ccccc2C1 ZINC000583362546 468684885 /nfs/dbraw/zinc/68/48/85/468684885.db2.gz YGDDMTMQFBZURX-GOSISDBHSA-N 2 2 337.423 2.337 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000594951346 468730012 /nfs/dbraw/zinc/73/00/12/468730012.db2.gz GSAQDISUDVHNQM-LTCOOKNTSA-N 2 2 331.460 2.394 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583753597 468751100 /nfs/dbraw/zinc/75/11/00/468751100.db2.gz WFQCRTZWUDAKDS-SYNHAJSKSA-N 2 2 343.471 2.090 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583753597 468751105 /nfs/dbraw/zinc/75/11/05/468751105.db2.gz WFQCRTZWUDAKDS-SYNHAJSKSA-N 2 2 343.471 2.090 10 0 EEAELP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595857518 469049191 /nfs/dbraw/zinc/04/91/91/469049191.db2.gz YJQFMQGKORCHHN-OTWHNJEPSA-N 2 2 346.471 2.161 10 0 EEAELP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595857518 469049196 /nfs/dbraw/zinc/04/91/96/469049196.db2.gz YJQFMQGKORCHHN-OTWHNJEPSA-N 2 2 346.471 2.161 10 0 EEAELP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000595857518 469049204 /nfs/dbraw/zinc/04/92/04/469049204.db2.gz YJQFMQGKORCHHN-OTWHNJEPSA-N 2 2 346.471 2.161 10 0 EEAELP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000595857518 469049212 /nfs/dbraw/zinc/04/92/12/469049212.db2.gz YJQFMQGKORCHHN-OTWHNJEPSA-N 2 2 346.471 2.161 10 0 EEAELP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593737332 469117041 /nfs/dbraw/zinc/11/70/41/469117041.db2.gz WJKZESRAFKKIDW-CXAGYDPISA-N 2 2 346.427 2.405 10 0 EEAELP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000593737332 469117046 /nfs/dbraw/zinc/11/70/46/469117046.db2.gz WJKZESRAFKKIDW-CXAGYDPISA-N 2 2 346.427 2.405 10 0 EEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588973664 469184837 /nfs/dbraw/zinc/18/48/37/469184837.db2.gz LKARGALFNRPGCD-XHSDSOJGSA-N 2 2 347.507 2.385 10 0 EEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588973664 469184839 /nfs/dbraw/zinc/18/48/39/469184839.db2.gz LKARGALFNRPGCD-XHSDSOJGSA-N 2 2 347.507 2.385 10 0 EEAELP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000599300021 469197846 /nfs/dbraw/zinc/19/78/46/469197846.db2.gz KYZACYALCPSNNC-IRXDYDNUSA-N 2 2 340.508 2.397 10 0 EEAELP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000599300021 469197849 /nfs/dbraw/zinc/19/78/49/469197849.db2.gz KYZACYALCPSNNC-IRXDYDNUSA-N 2 2 340.508 2.397 10 0 EEAELP C[C@H](c1nccc(N)n1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574463399 469274197 /nfs/dbraw/zinc/27/41/97/469274197.db2.gz UTTJHUYCLHTYPS-KGLIPLIRSA-N 2 2 326.448 2.532 10 0 EEAELP C[C@H](c1nccc(N)n1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574463399 469274201 /nfs/dbraw/zinc/27/42/01/469274201.db2.gz UTTJHUYCLHTYPS-KGLIPLIRSA-N 2 2 326.448 2.532 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)s1 ZINC000622383185 469433055 /nfs/dbraw/zinc/43/30/55/469433055.db2.gz WDVXUBLIABXNGA-UHFFFAOYSA-N 2 2 335.517 2.297 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC1CC[NH+](C3CCCC3)CC1)CC2 ZINC000625994489 469462685 /nfs/dbraw/zinc/46/26/85/469462685.db2.gz SJMHOMKGMWQUPG-HNNXBMFYSA-N 2 2 330.476 2.277 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000629388007 469529009 /nfs/dbraw/zinc/52/90/09/469529009.db2.gz LZYUVLUQQARLDQ-MRXNPFEDSA-N 2 2 340.471 2.154 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000629388007 469529014 /nfs/dbraw/zinc/52/90/14/469529014.db2.gz LZYUVLUQQARLDQ-MRXNPFEDSA-N 2 2 340.471 2.154 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1OC ZINC000629523608 469573081 /nfs/dbraw/zinc/57/30/81/469573081.db2.gz IOJCBHRYPDTOSW-AEGPPILISA-N 2 2 335.448 2.151 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000629652720 469599211 /nfs/dbraw/zinc/59/92/11/469599211.db2.gz DHNMVGUBJMYFJJ-RBUKOAKNSA-N 3 2 330.520 2.447 10 0 EEAELP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623364020 469635002 /nfs/dbraw/zinc/63/50/02/469635002.db2.gz PLWCFLHRWKUUEM-FQEVSTJZSA-N 3 2 344.547 2.396 10 0 EEAELP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623364020 469635009 /nfs/dbraw/zinc/63/50/09/469635009.db2.gz PLWCFLHRWKUUEM-FQEVSTJZSA-N 3 2 344.547 2.396 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)CC2 ZINC000623460602 469662244 /nfs/dbraw/zinc/66/22/44/469662244.db2.gz LPVGWSNDDGWOMC-HOTGVXAUSA-N 2 2 342.443 2.300 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1(C)C ZINC000623470742 469667050 /nfs/dbraw/zinc/66/70/50/469667050.db2.gz ZSHGIWMRBZLHSH-RYUDHWBXSA-N 2 2 347.467 2.404 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1(C)C ZINC000623470742 469667054 /nfs/dbraw/zinc/66/70/54/469667054.db2.gz ZSHGIWMRBZLHSH-RYUDHWBXSA-N 2 2 347.467 2.404 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000613623272 469752323 /nfs/dbraw/zinc/75/23/23/469752323.db2.gz XCKXXPNQSHPOGZ-CQSZACIVSA-N 2 2 330.476 2.309 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000613623272 469752330 /nfs/dbraw/zinc/75/23/30/469752330.db2.gz XCKXXPNQSHPOGZ-CQSZACIVSA-N 2 2 330.476 2.309 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000613623272 469752334 /nfs/dbraw/zinc/75/23/34/469752334.db2.gz XCKXXPNQSHPOGZ-CQSZACIVSA-N 2 2 330.476 2.309 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000613623272 469752337 /nfs/dbraw/zinc/75/23/37/469752337.db2.gz XCKXXPNQSHPOGZ-CQSZACIVSA-N 2 2 330.476 2.309 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000626927581 469758034 /nfs/dbraw/zinc/75/80/34/469758034.db2.gz UAPNSGRNESYFIO-ARFHVFGLSA-N 2 2 345.422 2.088 10 0 EEAELP CCNc1ccc(Cl)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764926 469795839 /nfs/dbraw/zinc/79/58/39/469795839.db2.gz MHVIMTOJOMNIAO-UHFFFAOYSA-N 2 2 340.899 2.385 10 0 EEAELP CCNc1ccc(Cl)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764926 469795842 /nfs/dbraw/zinc/79/58/42/469795842.db2.gz MHVIMTOJOMNIAO-UHFFFAOYSA-N 2 2 340.899 2.385 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000617766287 469796962 /nfs/dbraw/zinc/79/69/62/469796962.db2.gz DYPDZTWLESQOES-SFHVURJKSA-N 2 2 331.504 2.496 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCCc2ccccc21 ZINC000617766287 469796964 /nfs/dbraw/zinc/79/69/64/469796964.db2.gz DYPDZTWLESQOES-SFHVURJKSA-N 2 2 331.504 2.496 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCSc2ccccc21 ZINC000617766868 469797003 /nfs/dbraw/zinc/79/70/03/469797003.db2.gz XHLQIPZIENWNLP-MRXNPFEDSA-N 2 2 335.517 2.266 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCSc2ccccc21 ZINC000617766868 469797007 /nfs/dbraw/zinc/79/70/07/469797007.db2.gz XHLQIPZIENWNLP-MRXNPFEDSA-N 2 2 335.517 2.266 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000627240963 469854604 /nfs/dbraw/zinc/85/46/04/469854604.db2.gz GJPLSGLFNLEOOW-HNONPPJISA-N 2 2 339.443 2.161 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)CC2 ZINC000627569998 469939309 /nfs/dbraw/zinc/93/93/09/469939309.db2.gz QCFZSOUJMPFJKL-SJORKVTESA-N 2 2 332.492 2.381 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624574852 469980248 /nfs/dbraw/zinc/98/02/48/469980248.db2.gz ACFLUDATNWKLQJ-QSJFSLAZSA-N 2 2 332.492 2.237 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624574852 469980250 /nfs/dbraw/zinc/98/02/50/469980250.db2.gz ACFLUDATNWKLQJ-QSJFSLAZSA-N 2 2 332.492 2.237 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCCF)CC1)c1cccc(Cl)c1 ZINC000627957899 470033120 /nfs/dbraw/zinc/03/31/20/470033120.db2.gz WOKZIMXUZODQLR-MRXNPFEDSA-N 2 2 341.858 2.447 10 0 EEAELP Cc1nc(NCc2ccc(C[NH+]3CCCCCC3)cc2)nc(N)[nH+]1 ZINC000631083022 470064782 /nfs/dbraw/zinc/06/47/82/470064782.db2.gz MOUSEELAKSMJMM-UHFFFAOYSA-N 2 2 326.448 2.172 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[NH+]3CCCCCC3)cc2)[nH+]1 ZINC000631083022 470064785 /nfs/dbraw/zinc/06/47/85/470064785.db2.gz MOUSEELAKSMJMM-UHFFFAOYSA-N 2 2 326.448 2.172 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000625226053 470098043 /nfs/dbraw/zinc/09/80/43/470098043.db2.gz OEIBVDIEYVIQTB-KGLIPLIRSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000625226053 470098044 /nfs/dbraw/zinc/09/80/44/470098044.db2.gz OEIBVDIEYVIQTB-KGLIPLIRSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000625226053 470098046 /nfs/dbraw/zinc/09/80/46/470098046.db2.gz OEIBVDIEYVIQTB-KGLIPLIRSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000625226053 470098047 /nfs/dbraw/zinc/09/80/47/470098047.db2.gz OEIBVDIEYVIQTB-KGLIPLIRSA-N 2 2 335.414 2.203 10 0 EEAELP Cc1nc(N)c(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)c[nH+]1 ZINC000648902533 470388785 /nfs/dbraw/zinc/38/87/85/470388785.db2.gz SHAMJZBCXSMXIW-UHFFFAOYSA-N 2 2 339.443 2.113 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000645787184 470417647 /nfs/dbraw/zinc/41/76/47/470417647.db2.gz ZNFGDFBTHXCUNM-HOTGVXAUSA-N 2 2 337.414 2.012 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000645787184 470417650 /nfs/dbraw/zinc/41/76/50/470417650.db2.gz ZNFGDFBTHXCUNM-HOTGVXAUSA-N 2 2 337.414 2.012 10 0 EEAELP C(C[NH+]1CCCC1)OC1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000639508838 470531554 /nfs/dbraw/zinc/53/15/54/470531554.db2.gz OULQAQSVXLMQMX-UHFFFAOYSA-N 2 2 334.464 2.414 10 0 EEAELP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635624929 470682145 /nfs/dbraw/zinc/68/21/45/470682145.db2.gz BCSAGSVUXCLROX-KZNAEPCWSA-N 2 2 338.455 2.494 10 0 EEAELP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635624929 470682152 /nfs/dbraw/zinc/68/21/52/470682152.db2.gz BCSAGSVUXCLROX-KZNAEPCWSA-N 2 2 338.455 2.494 10 0 EEAELP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635624929 470682157 /nfs/dbraw/zinc/68/21/57/470682157.db2.gz BCSAGSVUXCLROX-KZNAEPCWSA-N 2 2 338.455 2.494 10 0 EEAELP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635624929 470682163 /nfs/dbraw/zinc/68/21/63/470682163.db2.gz BCSAGSVUXCLROX-KZNAEPCWSA-N 2 2 338.455 2.494 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644548263 470979781 /nfs/dbraw/zinc/97/97/81/470979781.db2.gz XHBNGLAWGQYQMH-STQMWFEESA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000644548263 470979782 /nfs/dbraw/zinc/97/97/82/470979782.db2.gz XHBNGLAWGQYQMH-STQMWFEESA-N 2 2 333.259 2.417 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000651193092 471084424 /nfs/dbraw/zinc/08/44/24/471084424.db2.gz KTDSLZMWRFAYAX-SJORKVTESA-N 2 2 335.496 2.454 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000651193092 471084430 /nfs/dbraw/zinc/08/44/30/471084430.db2.gz KTDSLZMWRFAYAX-SJORKVTESA-N 2 2 335.496 2.454 10 0 EEAELP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657429897 471134676 /nfs/dbraw/zinc/13/46/76/471134676.db2.gz MMZBKRPQEIRHNR-FQEVSTJZSA-N 2 2 340.471 2.076 10 0 EEAELP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657429897 471134679 /nfs/dbraw/zinc/13/46/79/471134679.db2.gz MMZBKRPQEIRHNR-FQEVSTJZSA-N 2 2 340.471 2.076 10 0 EEAELP CC(C)c1cc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)nc(C(C)C)[nH+]1 ZINC000645358279 471224969 /nfs/dbraw/zinc/22/49/69/471224969.db2.gz CHPXLGIZXCOOIU-AWEZNQCLSA-N 2 2 333.480 2.280 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000655009476 471248585 /nfs/dbraw/zinc/24/85/85/471248585.db2.gz FWLVEFHMPIOOKF-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000655009476 471248588 /nfs/dbraw/zinc/24/85/88/471248588.db2.gz FWLVEFHMPIOOKF-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666285028 471339802 /nfs/dbraw/zinc/33/98/02/471339802.db2.gz NORKXDYRYXWMPZ-ZDUSSCGKSA-N 2 2 328.416 2.224 10 0 EEAELP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666285028 471339808 /nfs/dbraw/zinc/33/98/08/471339808.db2.gz NORKXDYRYXWMPZ-ZDUSSCGKSA-N 2 2 328.416 2.224 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478910 471359440 /nfs/dbraw/zinc/35/94/40/471359440.db2.gz DGICDQMRLLWZGJ-FUHWJXTLSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478910 471359448 /nfs/dbraw/zinc/35/94/48/471359448.db2.gz DGICDQMRLLWZGJ-FUHWJXTLSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478910 471359451 /nfs/dbraw/zinc/35/94/51/471359451.db2.gz DGICDQMRLLWZGJ-FUHWJXTLSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478910 471359456 /nfs/dbraw/zinc/35/94/56/471359456.db2.gz DGICDQMRLLWZGJ-FUHWJXTLSA-N 3 2 334.508 2.100 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)NCc1ccccc1OCc1ccccc1 ZINC000653074278 471474850 /nfs/dbraw/zinc/47/48/50/471474850.db2.gz BYBCQQGDAWTHPK-SFHVURJKSA-N 2 2 341.455 2.161 10 0 EEAELP CCC(CC)[C@H](C(=O)NCc1ccccc1C[NH2+]C)[NH+]1CCOCC1 ZINC000653214101 471538575 /nfs/dbraw/zinc/53/85/75/471538575.db2.gz GLKXCXDRHHTMPY-LJQANCHMSA-N 2 2 347.503 2.159 10 0 EEAELP CC[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000669547604 471546425 /nfs/dbraw/zinc/54/64/25/471546425.db2.gz JRZAXRYSDOKKFZ-JKSUJKDBSA-N 2 2 340.418 2.009 10 0 EEAELP CC[NH2+]CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000669547604 471546431 /nfs/dbraw/zinc/54/64/31/471546431.db2.gz JRZAXRYSDOKKFZ-JKSUJKDBSA-N 2 2 340.418 2.009 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000653777696 471736849 /nfs/dbraw/zinc/73/68/49/471736849.db2.gz SLFQCNOZNXONOC-MRXNPFEDSA-N 2 2 326.868 2.248 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000653777696 471736852 /nfs/dbraw/zinc/73/68/52/471736852.db2.gz SLFQCNOZNXONOC-MRXNPFEDSA-N 2 2 326.868 2.248 10 0 EEAELP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cscn1 ZINC000661417511 471750285 /nfs/dbraw/zinc/75/02/85/471750285.db2.gz HBYBOAORJMPOQC-BBRMVZONSA-N 2 2 332.473 2.213 10 0 EEAELP Cc1cc[nH+]c(NC[C@@]2(CO)COCC[N@@H+]2Cc2ccccc2)c1 ZINC000664535653 471784719 /nfs/dbraw/zinc/78/47/19/471784719.db2.gz QSCKPDALFVHBLM-LJQANCHMSA-N 2 2 327.428 2.065 10 0 EEAELP Cc1cc[nH+]c(NC[C@@]2(CO)COCC[N@H+]2Cc2ccccc2)c1 ZINC000664535653 471784722 /nfs/dbraw/zinc/78/47/22/471784722.db2.gz QSCKPDALFVHBLM-LJQANCHMSA-N 2 2 327.428 2.065 10 0 EEAELP CN(C(=O)C[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000667500784 471801888 /nfs/dbraw/zinc/80/18/88/471801888.db2.gz AUPIFNQQWLSIDL-UHFFFAOYSA-N 2 2 341.459 2.490 10 0 EEAELP CN(C(=O)C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000667500784 471801892 /nfs/dbraw/zinc/80/18/92/471801892.db2.gz AUPIFNQQWLSIDL-UHFFFAOYSA-N 2 2 341.459 2.490 10 0 EEAELP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702375 471812567 /nfs/dbraw/zinc/81/25/67/471812567.db2.gz PLTGVOFNXLZAPE-IAGOWNOFSA-N 2 2 334.460 2.091 10 0 EEAELP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702375 471812568 /nfs/dbraw/zinc/81/25/68/471812568.db2.gz PLTGVOFNXLZAPE-IAGOWNOFSA-N 2 2 334.460 2.091 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000667681141 471864287 /nfs/dbraw/zinc/86/42/87/471864287.db2.gz BGLASNJQNOPUNH-ZDUSSCGKSA-N 2 2 348.413 2.372 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000667681141 471864290 /nfs/dbraw/zinc/86/42/90/471864290.db2.gz BGLASNJQNOPUNH-ZDUSSCGKSA-N 2 2 348.413 2.372 10 0 EEAELP c1cc(C[N@H+]2CCSC3(CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667997298 471975112 /nfs/dbraw/zinc/97/51/12/471975112.db2.gz MYCYFKRLNAEQMR-UHFFFAOYSA-N 2 2 330.457 2.365 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(C2CCC2)cnn1C ZINC000668158622 472031930 /nfs/dbraw/zinc/03/19/30/472031930.db2.gz YZACMIISQZEIMT-UHFFFAOYSA-N 2 2 333.524 2.145 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(C2CCC2)cnn1C ZINC000668158622 472031935 /nfs/dbraw/zinc/03/19/35/472031935.db2.gz YZACMIISQZEIMT-UHFFFAOYSA-N 2 2 333.524 2.145 10 0 EEAELP CN(CC[N@H+](C)Cc1c(C2CCC2)cnn1C)C1CC[NH+](C)CC1 ZINC000668158622 472031938 /nfs/dbraw/zinc/03/19/38/472031938.db2.gz YZACMIISQZEIMT-UHFFFAOYSA-N 2 2 333.524 2.145 10 0 EEAELP CN(CC[N@@H+](C)Cc1c(C2CCC2)cnn1C)C1CC[NH+](C)CC1 ZINC000668158622 472031943 /nfs/dbraw/zinc/03/19/43/472031943.db2.gz YZACMIISQZEIMT-UHFFFAOYSA-N 2 2 333.524 2.145 10 0 EEAELP CCO[C@H](C)c1nc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662261714 472047637 /nfs/dbraw/zinc/04/76/37/472047637.db2.gz AFAPETHLZLCZIW-OCCSQVGLSA-N 2 2 325.478 2.193 10 0 EEAELP CCO[C@H](C)c1nc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662261714 472047642 /nfs/dbraw/zinc/04/76/42/472047642.db2.gz AFAPETHLZLCZIW-OCCSQVGLSA-N 2 2 325.478 2.193 10 0 EEAELP CC[N@H+](CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000662357060 472082703 /nfs/dbraw/zinc/08/27/03/472082703.db2.gz YMCATFKKYOFCNK-HNNXBMFYSA-N 2 2 341.459 2.133 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000662357060 472082707 /nfs/dbraw/zinc/08/27/07/472082707.db2.gz YMCATFKKYOFCNK-HNNXBMFYSA-N 2 2 341.459 2.133 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CCCO2 ZINC000665929200 472242699 /nfs/dbraw/zinc/24/26/99/472242699.db2.gz MEXDNBOFHJAIPZ-UHFFFAOYSA-N 2 2 334.464 2.017 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CCCO2 ZINC000665929200 472242703 /nfs/dbraw/zinc/24/27/03/472242703.db2.gz MEXDNBOFHJAIPZ-UHFFFAOYSA-N 2 2 334.464 2.017 10 0 EEAELP CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668734914 472244095 /nfs/dbraw/zinc/24/40/95/472244095.db2.gz UOWNFZDGSKJKGG-HNNXBMFYSA-N 2 2 327.432 2.004 10 0 EEAELP CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668734914 472244100 /nfs/dbraw/zinc/24/41/00/472244100.db2.gz UOWNFZDGSKJKGG-HNNXBMFYSA-N 2 2 327.432 2.004 10 0 EEAELP Fc1ccc([C@@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CC2)cc1 ZINC000678685519 485480163 /nfs/dbraw/zinc/48/01/63/485480163.db2.gz IIPCLZFZPKUDRD-PMACEKPBSA-N 2 2 347.478 2.273 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000640923950 485484853 /nfs/dbraw/zinc/48/48/53/485484853.db2.gz VZEOFWTVWXGNTC-HLLBOEOZSA-N 2 2 345.491 2.106 10 0 EEAELP COC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000678764562 485496523 /nfs/dbraw/zinc/49/65/23/485496523.db2.gz WLWMMIXSGQSNND-UXHICEINSA-N 2 2 328.456 2.457 10 0 EEAELP COC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000678764562 485496528 /nfs/dbraw/zinc/49/65/28/485496528.db2.gz WLWMMIXSGQSNND-UXHICEINSA-N 2 2 328.456 2.457 10 0 EEAELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(C(F)(F)F)cnn2C)CCCO1 ZINC000657448630 485562806 /nfs/dbraw/zinc/56/28/06/485562806.db2.gz MRJGADYHVFVRSW-GFCCVEGCSA-N 2 2 334.386 2.029 10 0 EEAELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(C(F)(F)F)cnn2C)CCCO1 ZINC000657448630 485562813 /nfs/dbraw/zinc/56/28/13/485562813.db2.gz MRJGADYHVFVRSW-GFCCVEGCSA-N 2 2 334.386 2.029 10 0 EEAELP CC(C)n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C ZINC000583616543 485580963 /nfs/dbraw/zinc/58/09/63/485580963.db2.gz IVWTZJQPICCHTM-MAUKXSAKSA-N 2 2 330.480 2.370 10 0 EEAELP CC(C)n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000583616543 485580974 /nfs/dbraw/zinc/58/09/74/485580974.db2.gz IVWTZJQPICCHTM-MAUKXSAKSA-N 2 2 330.480 2.370 10 0 EEAELP CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000675178825 485919245 /nfs/dbraw/zinc/91/92/45/485919245.db2.gz WOTJNUGCXNPCSK-MRXNPFEDSA-N 2 2 345.491 2.224 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000685568188 486148176 /nfs/dbraw/zinc/14/81/76/486148176.db2.gz JKBDUIXYOIFGLC-INIZCTEOSA-N 2 2 328.460 2.008 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000685568188 486148182 /nfs/dbraw/zinc/14/81/82/486148182.db2.gz JKBDUIXYOIFGLC-INIZCTEOSA-N 2 2 328.460 2.008 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000678585026 486646469 /nfs/dbraw/zinc/64/64/69/486646469.db2.gz KHPOSNQOFCHODO-HNNXBMFYSA-N 2 2 344.484 2.138 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000438832231 535776891 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C[NH+](C)Cc1csc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000927766112 682038123 /nfs/dbraw/zinc/03/81/23/682038123.db2.gz KJKOPUPITULRCB-HNNXBMFYSA-N 2 2 336.505 2.228 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000152794756 683532189 /nfs/dbraw/zinc/53/21/89/683532189.db2.gz DRZJDUNOCDDFFA-RDJZCZTQSA-N 2 2 344.503 2.355 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1N=NC(=O)N1C ZINC000895171788 684191858 /nfs/dbraw/zinc/19/18/58/684191858.db2.gz OWNNGXVYCHBGDH-IWCQGFGOSA-N 2 2 341.459 2.224 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1N=NC(=O)N1C ZINC000895171788 684191859 /nfs/dbraw/zinc/19/18/59/684191859.db2.gz OWNNGXVYCHBGDH-IWCQGFGOSA-N 2 2 341.459 2.224 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925332638 692857242 /nfs/dbraw/zinc/85/72/42/692857242.db2.gz PZNSSDZTOOETKT-LZWOXQAQSA-N 2 2 336.505 2.229 10 0 EEAELP C[C@H]1[C@H](NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000923809910 693282870 /nfs/dbraw/zinc/28/28/70/693282870.db2.gz DPDQERVUHXJWCI-YHUYYLMFSA-N 2 2 331.464 2.197 10 0 EEAELP C[C@H]1[C@H](NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000923809910 693282872 /nfs/dbraw/zinc/28/28/72/693282872.db2.gz DPDQERVUHXJWCI-YHUYYLMFSA-N 2 2 331.464 2.197 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ncc(-c3ccccc3)s2)CC1 ZINC000905293771 694588926 /nfs/dbraw/zinc/58/89/26/694588926.db2.gz LQDQPTHIWJBCIA-UHFFFAOYSA-N 2 2 345.472 2.355 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001266495798 1176639998 /nfs/dbraw/zinc/63/99/98/1176639998.db2.gz VKNRNSADCSUWLL-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001266495798 1176640004 /nfs/dbraw/zinc/64/00/04/1176640004.db2.gz VKNRNSADCSUWLL-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001266495798 1176640008 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EEAELP C[N@@H+](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CCc2ccccc21 ZINC001480885504 1176881470 /nfs/dbraw/zinc/88/14/70/1176881470.db2.gz XNKCSGPPPFGXJU-LPHOPBHVSA-N 2 2 338.455 2.181 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001266731014 1177317131 /nfs/dbraw/zinc/31/71/31/1177317131.db2.gz OGCMSMVEQXUUNT-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)o1 ZINC001266731014 1177317137 /nfs/dbraw/zinc/31/71/37/1177317137.db2.gz OGCMSMVEQXUUNT-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691086643 1177553516 /nfs/dbraw/zinc/55/35/16/1177553516.db2.gz VQNSTEGGGLZFOT-NMBNSIPYSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691086643 1177553519 /nfs/dbraw/zinc/55/35/19/1177553519.db2.gz VQNSTEGGGLZFOT-NMBNSIPYSA-N 2 2 330.476 2.382 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001266886445 1177709213 /nfs/dbraw/zinc/70/92/13/1177709213.db2.gz NMDYBBQWVKVFJN-ZWKOTPCHSA-N 2 2 348.491 2.203 10 0 EEAELP CC1CCC(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267395011 1178965460 /nfs/dbraw/zinc/96/54/60/1178965460.db2.gz IOIYSJWKGWIBPA-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@@H]1CCC(F)(F)C1 ZINC001480979487 1179415874 /nfs/dbraw/zinc/41/58/74/1179415874.db2.gz KTCPKQJGZABMLD-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@@H]1CCC(F)(F)C1 ZINC001480979487 1179415881 /nfs/dbraw/zinc/41/58/81/1179415881.db2.gz KTCPKQJGZABMLD-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C[C@@H]1CCC(F)(F)C1 ZINC001480979487 1179415887 /nfs/dbraw/zinc/41/58/87/1179415887.db2.gz KTCPKQJGZABMLD-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C[C@@H]1CCC(F)(F)C1 ZINC001480979487 1179415891 /nfs/dbraw/zinc/41/58/91/1179415891.db2.gz KTCPKQJGZABMLD-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCCc1ccccc1 ZINC001481073263 1179677014 /nfs/dbraw/zinc/67/70/14/1179677014.db2.gz JHRFZCAYZSAGPV-SFHVURJKSA-N 2 2 326.444 2.097 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCCc1ccccc1 ZINC001481073263 1179677018 /nfs/dbraw/zinc/67/70/18/1179677018.db2.gz JHRFZCAYZSAGPV-SFHVURJKSA-N 2 2 326.444 2.097 10 0 EEAELP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001481125457 1179837312 /nfs/dbraw/zinc/83/73/12/1179837312.db2.gz FIZIGIFGYYTQSX-IRXDYDNUSA-N 2 2 326.444 2.391 10 0 EEAELP Cc1cccc([C@H](C)[N@H+]2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001481125457 1179837322 /nfs/dbraw/zinc/83/73/22/1179837322.db2.gz FIZIGIFGYYTQSX-IRXDYDNUSA-N 2 2 326.444 2.391 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267745514 1180378233 /nfs/dbraw/zinc/37/82/33/1180378233.db2.gz TVFIEVDZTOSBLQ-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267745514 1180378241 /nfs/dbraw/zinc/37/82/41/1180378241.db2.gz TVFIEVDZTOSBLQ-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001267752036 1180412066 /nfs/dbraw/zinc/41/20/66/1180412066.db2.gz RQJQSPRWWQCEAQ-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001267752036 1180412070 /nfs/dbraw/zinc/41/20/70/1180412070.db2.gz RQJQSPRWWQCEAQ-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001267752036 1180412072 /nfs/dbraw/zinc/41/20/72/1180412072.db2.gz RQJQSPRWWQCEAQ-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001267752036 1180412075 /nfs/dbraw/zinc/41/20/75/1180412075.db2.gz RQJQSPRWWQCEAQ-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CCCC1CCC1 ZINC001267990973 1180930316 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DAMMAQCPRKHHRZ-DLBZAZTESA-N 2 2 330.476 2.026 10 0 EEAELP C[N@@H+](CCC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481490191 1181554066 /nfs/dbraw/zinc/55/40/66/1181554066.db2.gz DAMMAQCPRKHHRZ-DLBZAZTESA-N 2 2 330.476 2.026 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268192090 1181985243 /nfs/dbraw/zinc/98/52/43/1181985243.db2.gz LQTAYNNQLKNQCS-WCQYABFASA-N 2 2 332.370 2.121 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481991071 1183097700 /nfs/dbraw/zinc/09/77/00/1183097700.db2.gz JGFOUOWMXJXZCK-QGZVFWFLSA-N 2 2 341.459 2.005 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001482016525 1183135235 /nfs/dbraw/zinc/13/52/35/1183135235.db2.gz GZSHTVVOLPGBFN-HDJSIYSDSA-N 2 2 347.488 2.059 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001482016525 1183135243 /nfs/dbraw/zinc/13/52/43/1183135243.db2.gz GZSHTVVOLPGBFN-HDJSIYSDSA-N 2 2 347.488 2.059 10 0 EEAELP CC(C)c1noc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001268579322 1183349488 /nfs/dbraw/zinc/34/94/88/1183349488.db2.gz PMXMOASQYNABFM-KXLSMFKISA-N 2 2 349.479 2.000 10 0 EEAELP CC(C)c1noc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001268579322 1183349497 /nfs/dbraw/zinc/34/94/97/1183349497.db2.gz PMXMOASQYNABFM-KXLSMFKISA-N 2 2 349.479 2.000 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001482159966 1183479546 /nfs/dbraw/zinc/47/95/46/1183479546.db2.gz VYQMWJCYNKEEDV-KBPBESRZSA-N 2 2 342.434 2.130 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268647335 1183574623 /nfs/dbraw/zinc/57/46/23/1183574623.db2.gz OMBJGIGSXBINQR-OAHLLOKOSA-N 2 2 332.492 2.437 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CCc2ccccc2F)CCCC1 ZINC001269584845 1184410534 /nfs/dbraw/zinc/41/05/34/1184410534.db2.gz NHQJHBLBJVKVIF-UHFFFAOYSA-N 2 2 344.434 2.353 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482298413 1185181191 /nfs/dbraw/zinc/18/11/91/1185181191.db2.gz SIKRTGRYBAXLDA-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482298413 1185181195 /nfs/dbraw/zinc/18/11/95/1185181195.db2.gz SIKRTGRYBAXLDA-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001482371089 1185534506 /nfs/dbraw/zinc/53/45/06/1185534506.db2.gz JKXZDNILLHYWOA-INIZCTEOSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001482371089 1185534512 /nfs/dbraw/zinc/53/45/12/1185534512.db2.gz JKXZDNILLHYWOA-INIZCTEOSA-N 2 2 344.459 2.052 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001271552187 1186305977 /nfs/dbraw/zinc/30/59/77/1186305977.db2.gz PLMDMVNJPCHXDC-DLBZAZTESA-N 2 2 330.476 2.216 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001271552663 1186306187 /nfs/dbraw/zinc/30/61/87/1186306187.db2.gz SYFXYYFGHBSYQK-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001482847555 1187765648 /nfs/dbraw/zinc/76/56/48/1187765648.db2.gz FVDHQCIATGYMLZ-SNVBAGLBSA-N 2 2 349.262 2.153 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1C1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482960107 1187892558 /nfs/dbraw/zinc/89/25/58/1187892558.db2.gz NLPQLJJHYGTEGE-UHFFFAOYSA-N 2 2 326.444 2.468 10 0 EEAELP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001483009599 1187992541 /nfs/dbraw/zinc/99/25/41/1187992541.db2.gz CJGBSDCOKCTVOB-BDUNBXCCSA-N 2 2 331.464 2.018 10 0 EEAELP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483009599 1187992543 /nfs/dbraw/zinc/99/25/43/1187992543.db2.gz CJGBSDCOKCTVOB-BDUNBXCCSA-N 2 2 331.464 2.018 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C/CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001483031444 1188051710 /nfs/dbraw/zinc/05/17/10/1188051710.db2.gz YJBARBPIRHMQLU-CWDCEQMOSA-N 2 2 330.476 2.144 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)c(C)c1 ZINC001483145055 1188769295 /nfs/dbraw/zinc/76/92/95/1188769295.db2.gz UVSMQIDVWYTNMR-AEFFLSMTSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001272873048 1193587853 /nfs/dbraw/zinc/58/78/53/1193587853.db2.gz FOJUMDINQPKPOE-WMZOPIPTSA-N 2 2 340.471 2.173 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485906786 1193635779 /nfs/dbraw/zinc/63/57/79/1193635779.db2.gz ZNRAJQUDWKDZFK-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC=C(Cl)Cl ZINC001485923527 1193641610 /nfs/dbraw/zinc/64/16/10/1193641610.db2.gz HHQKOKUYBLFOQL-IJLUTSLNSA-N 2 2 345.274 2.279 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001409599599 1190088681 /nfs/dbraw/zinc/08/86/81/1190088681.db2.gz YKUKNPJIVRVKBA-KSSFIOAISA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001409599599 1190088685 /nfs/dbraw/zinc/08/86/85/1190088685.db2.gz YKUKNPJIVRVKBA-KSSFIOAISA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@H]1CCc2ccccc21 ZINC001409599599 1190088690 /nfs/dbraw/zinc/08/86/90/1190088690.db2.gz YKUKNPJIVRVKBA-KSSFIOAISA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001409599599 1190088694 /nfs/dbraw/zinc/08/86/94/1190088694.db2.gz YKUKNPJIVRVKBA-KSSFIOAISA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC001409694768 1190204134 /nfs/dbraw/zinc/20/41/34/1190204134.db2.gz QCPCMZRPHSBUMK-DLBZAZTESA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC001409694768 1190204140 /nfs/dbraw/zinc/20/41/40/1190204140.db2.gz QCPCMZRPHSBUMK-DLBZAZTESA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CCCn1cc[nH+]c1 ZINC001483299047 1190321845 /nfs/dbraw/zinc/32/18/45/1190321845.db2.gz PIPAJKLOMXJCTK-HNNXBMFYSA-N 2 2 339.443 2.439 10 0 EEAELP C[C@@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001483371901 1190415734 /nfs/dbraw/zinc/41/57/34/1190415734.db2.gz XPXZTXHRTSADDN-YJBOKZPZSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@@H](C[N@@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001483371901 1190415736 /nfs/dbraw/zinc/41/57/36/1190415736.db2.gz XPXZTXHRTSADDN-YJBOKZPZSA-N 2 2 326.444 2.397 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001483392505 1190436849 /nfs/dbraw/zinc/43/68/49/1190436849.db2.gz ZHHYCLLRISYVBA-QWHCGFSZSA-N 2 2 333.436 2.076 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001483392505 1190436853 /nfs/dbraw/zinc/43/68/53/1190436853.db2.gz ZHHYCLLRISYVBA-QWHCGFSZSA-N 2 2 333.436 2.076 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001483497590 1190514607 /nfs/dbraw/zinc/51/46/07/1190514607.db2.gz UFIUKOVJOPURFB-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001483497590 1190514610 /nfs/dbraw/zinc/51/46/10/1190514610.db2.gz UFIUKOVJOPURFB-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H](CC[NH2+]CCCF)C3)[nH+]c12 ZINC001272591328 1190906581 /nfs/dbraw/zinc/90/65/81/1190906581.db2.gz QVHXQASBDYJRHX-INIZCTEOSA-N 2 2 346.450 2.373 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001409905679 1190994139 /nfs/dbraw/zinc/99/41/39/1190994139.db2.gz HFIOSOXYQIBUFU-CABCVRRESA-N 2 2 348.491 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001409905679 1190994142 /nfs/dbraw/zinc/99/41/42/1190994142.db2.gz HFIOSOXYQIBUFU-CABCVRRESA-N 2 2 348.491 2.076 10 0 EEAELP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1cncc(C)c1 ZINC001483829977 1191066344 /nfs/dbraw/zinc/06/63/44/1191066344.db2.gz HCLQBFCXHAYCTQ-KDURUIRLSA-N 2 2 344.503 2.297 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1cncc(C)c1 ZINC001483829977 1191066346 /nfs/dbraw/zinc/06/63/46/1191066346.db2.gz HCLQBFCXHAYCTQ-KDURUIRLSA-N 2 2 344.503 2.297 10 0 EEAELP CCC[NH+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cncc(C)c1 ZINC001483829977 1191066348 /nfs/dbraw/zinc/06/63/48/1191066348.db2.gz HCLQBFCXHAYCTQ-KDURUIRLSA-N 2 2 344.503 2.297 10 0 EEAELP CCC[NH+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cncc(C)c1 ZINC001483829977 1191066349 /nfs/dbraw/zinc/06/63/49/1191066349.db2.gz HCLQBFCXHAYCTQ-KDURUIRLSA-N 2 2 344.503 2.297 10 0 EEAELP CC(C)c1cnc(C[NH2+]CC[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001484553166 1191411795 /nfs/dbraw/zinc/41/17/95/1191411795.db2.gz JFRUMPHLCSWPQO-HNNXBMFYSA-N 2 2 345.447 2.023 10 0 EEAELP CCOCC[NH2+]C1(CC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001484815969 1191534954 /nfs/dbraw/zinc/53/49/54/1191534954.db2.gz CATLEAJHKYZXFV-INIZCTEOSA-N 2 2 336.480 2.232 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001485176739 1191677489 /nfs/dbraw/zinc/67/74/89/1191677489.db2.gz LJPIEHZAGCGFJS-NWDGAFQWSA-N 2 2 335.477 2.030 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485199299 1191682844 /nfs/dbraw/zinc/68/28/44/1191682844.db2.gz DFYKWLUDYCMYCY-MNOVXSKESA-N 2 2 338.814 2.428 10 0 EEAELP CCOCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001486207423 1193720699 /nfs/dbraw/zinc/72/06/99/1193720699.db2.gz RCMKWNDEEHCMDV-HOCLYGCPSA-N 2 2 344.459 2.478 10 0 EEAELP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC001486250215 1193777095 /nfs/dbraw/zinc/77/70/95/1193777095.db2.gz PGCJKSYEKKEAJN-KKMIYCERSA-N 2 2 338.455 2.423 10 0 EEAELP Cc1cccnc1C[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001486450263 1193965397 /nfs/dbraw/zinc/96/53/97/1193965397.db2.gz BINYKJXPHQGXNY-INIZCTEOSA-N 2 2 341.459 2.003 10 0 EEAELP COC[C@@H](C)[NH+]1CCC(C2(NC(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001486490586 1194002676 /nfs/dbraw/zinc/00/26/76/1194002676.db2.gz WMAHQUZTZHRQJU-MRXNPFEDSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CC1CC(C)C1 ZINC001410388629 1197788793 /nfs/dbraw/zinc/78/87/93/1197788793.db2.gz UZPPQTJLYSZRHN-HWOWSKLDSA-N 2 2 332.492 2.245 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000872118427 1198049102 /nfs/dbraw/zinc/04/91/02/1198049102.db2.gz ZIRRXNXQVZGTDV-JFIYKMOQSA-N 2 2 331.460 2.225 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCC[C@@H]1CCOC1=O ZINC000872118427 1198049110 /nfs/dbraw/zinc/04/91/10/1198049110.db2.gz ZIRRXNXQVZGTDV-JFIYKMOQSA-N 2 2 331.460 2.225 10 0 EEAELP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000872280979 1198126556 /nfs/dbraw/zinc/12/65/56/1198126556.db2.gz XHZDTWOBFOVRCH-PMUMKWKESA-N 2 2 326.400 2.028 10 0 EEAELP O=c1[nH]ccc2oc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc21 ZINC000865468817 1198234316 /nfs/dbraw/zinc/23/43/16/1198234316.db2.gz KSNBQGVLGYQYKI-CYBMUJFWSA-N 2 2 331.416 2.124 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865857931 1198405216 /nfs/dbraw/zinc/40/52/16/1198405216.db2.gz WFHYWIRXIFQPIH-UXHICEINSA-N 2 2 346.471 2.199 10 0 EEAELP COc1cnc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000877191280 1199878355 /nfs/dbraw/zinc/87/83/55/1199878355.db2.gz NPOAWBKPWZNMGH-KRWDZBQOSA-N 2 2 345.418 2.086 10 0 EEAELP COc1cnc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000877191280 1199878360 /nfs/dbraw/zinc/87/83/60/1199878360.db2.gz NPOAWBKPWZNMGH-KRWDZBQOSA-N 2 2 345.418 2.086 10 0 EEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707180 1201585369 /nfs/dbraw/zinc/58/53/69/1201585369.db2.gz SYYYUOBLXCZGFL-HNNXBMFYSA-N 2 2 337.430 2.483 10 0 EEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707180 1201585372 /nfs/dbraw/zinc/58/53/72/1201585372.db2.gz SYYYUOBLXCZGFL-HNNXBMFYSA-N 2 2 337.430 2.483 10 0 EEAELP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001274818515 1205179148 /nfs/dbraw/zinc/17/91/48/1205179148.db2.gz MEJPKLLUBJCERR-CHWSQXEVSA-N 2 2 346.397 2.272 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001274894027 1205202906 /nfs/dbraw/zinc/20/29/06/1205202906.db2.gz FEQYXLPNMLFQEP-FPZRGXOSSA-N 2 2 337.508 2.080 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001274894027 1205202908 /nfs/dbraw/zinc/20/29/08/1205202908.db2.gz FEQYXLPNMLFQEP-FPZRGXOSSA-N 2 2 337.508 2.080 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275231466 1205286733 /nfs/dbraw/zinc/28/67/33/1205286733.db2.gz AYUIEGZDRMHXNG-NSHDSACASA-N 2 2 343.456 2.316 10 0 EEAELP Cc1nnsc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275434679 1205359890 /nfs/dbraw/zinc/35/98/90/1205359890.db2.gz WPOCVDCDVNEVGY-ZJUUUORDSA-N 2 2 344.444 2.019 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275449930 1205366098 /nfs/dbraw/zinc/36/60/98/1205366098.db2.gz BXCUCIIZRDRMGM-VXGBXAGGSA-N 2 2 341.415 2.236 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001412429983 1205722632 /nfs/dbraw/zinc/72/26/32/1205722632.db2.gz JRLISJSDQNGRPR-CQSZACIVSA-N 2 2 330.432 2.446 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC001412574493 1205773411 /nfs/dbraw/zinc/77/34/11/1205773411.db2.gz HXOWSQLYTRNYEY-IEBWSBKVSA-N 2 2 344.503 2.407 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC001412574493 1205773413 /nfs/dbraw/zinc/77/34/13/1205773413.db2.gz HXOWSQLYTRNYEY-IEBWSBKVSA-N 2 2 344.503 2.407 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccnn1C1CCC1 ZINC000925020893 1206061831 /nfs/dbraw/zinc/06/18/31/1206061831.db2.gz SXCWMKUOUJERAK-HNNXBMFYSA-N 2 2 347.507 2.201 10 0 EEAELP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925564084 1206128728 /nfs/dbraw/zinc/12/87/28/1206128728.db2.gz QVGVRPLVDLIHPJ-KDOFPFPSSA-N 2 2 343.471 2.279 10 0 EEAELP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623064 1206137064 /nfs/dbraw/zinc/13/70/64/1206137064.db2.gz OOHKXXZGXURRJJ-ZRNYENFQSA-N 3 2 345.531 2.365 10 0 EEAELP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623064 1206137065 /nfs/dbraw/zinc/13/70/65/1206137065.db2.gz OOHKXXZGXURRJJ-ZRNYENFQSA-N 3 2 345.531 2.365 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C[C@]2(C)C1 ZINC000931311672 1206623841 /nfs/dbraw/zinc/62/38/41/1206623841.db2.gz RUNOIZKHHMKUIZ-QRQLOZEOSA-N 2 2 329.444 2.285 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C[C@]2(C)C1 ZINC000931311672 1206623842 /nfs/dbraw/zinc/62/38/42/1206623842.db2.gz RUNOIZKHHMKUIZ-QRQLOZEOSA-N 2 2 329.444 2.285 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C[C@]2(C)C1 ZINC000931311672 1206623843 /nfs/dbraw/zinc/62/38/43/1206623843.db2.gz RUNOIZKHHMKUIZ-QRQLOZEOSA-N 2 2 329.444 2.285 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H]3CN(c4ccccc4)C(=O)O3)C[C@]2(C)C1 ZINC000931311672 1206623844 /nfs/dbraw/zinc/62/38/44/1206623844.db2.gz RUNOIZKHHMKUIZ-QRQLOZEOSA-N 2 2 329.444 2.285 10 0 EEAELP C[C@@H]1CC=CC[C@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934627190 1207993236 /nfs/dbraw/zinc/99/32/36/1207993236.db2.gz NAZYQGIJIPPBSM-IAGOWNOFSA-N 2 2 328.460 2.065 10 0 EEAELP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000900590595 1234526283 /nfs/dbraw/zinc/52/62/83/1234526283.db2.gz FURBICFGFUVKCQ-CABCVRRESA-N 2 2 344.459 2.130 10 0 EEAELP CCCn1cc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)nn1 ZINC000902778856 1238509112 /nfs/dbraw/zinc/50/91/12/1238509112.db2.gz DYIMAJMTITVHTR-HNNXBMFYSA-N 2 2 331.464 2.479 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902986500 1239270785 /nfs/dbraw/zinc/27/07/85/1239270785.db2.gz BPAGKZVYUWALTC-KGLIPLIRSA-N 2 2 333.457 2.489 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1F ZINC000903449828 1240498445 /nfs/dbraw/zinc/49/84/45/1240498445.db2.gz IBGXXRNNRVMSRM-CYBMUJFWSA-N 2 2 325.403 2.093 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1F ZINC000903449828 1240498453 /nfs/dbraw/zinc/49/84/53/1240498453.db2.gz IBGXXRNNRVMSRM-CYBMUJFWSA-N 2 2 325.403 2.093 10 0 EEAELP COc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F)O[C@@H](C)C2 ZINC000903954282 1242690764 /nfs/dbraw/zinc/69/07/64/1242690764.db2.gz CJKSSHUHRWSXRS-FZMZJTMJSA-N 2 2 326.387 2.353 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC001491357848 1258996569 /nfs/dbraw/zinc/99/65/69/1258996569.db2.gz JQCJTMUBVQLKAC-UHFFFAOYSA-N 2 2 345.422 2.025 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001491507051 1259157409 /nfs/dbraw/zinc/15/74/09/1259157409.db2.gz GWTYGAUGFQWKMJ-GOEBONIOSA-N 2 2 330.476 2.120 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCc1ccsc1 ZINC001491507526 1259158556 /nfs/dbraw/zinc/15/85/56/1259158556.db2.gz JOIFXYJEVZGNJS-GDBMZVCRSA-N 2 2 346.500 2.234 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001491508243 1259159957 /nfs/dbraw/zinc/15/99/57/1259159957.db2.gz QJENLYVTVUYYLB-ZBFHGGJFSA-N 2 2 330.476 2.120 10 0 EEAELP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001273467916 1278559004 /nfs/dbraw/zinc/55/90/04/1278559004.db2.gz OOCAIXFNIDFUTQ-LBPRGKRZSA-N 2 2 345.274 2.203 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cs1 ZINC001267894227 1276793598 /nfs/dbraw/zinc/79/35/98/1276793598.db2.gz VFKNSGJEGYGLLP-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP CC[N@H+](CCC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1)CC(C)C ZINC000867210211 1284340663 /nfs/dbraw/zinc/34/06/63/1284340663.db2.gz NSMXABGYOYJADB-KRWDZBQOSA-N 2 2 336.480 2.050 10 0 EEAELP CC[N@@H+](CCC1CCN(C(=O)[C@@H](O)c2c[nH+]c[nH]2)CC1)CC(C)C ZINC000867210211 1284340670 /nfs/dbraw/zinc/34/06/70/1284340670.db2.gz NSMXABGYOYJADB-KRWDZBQOSA-N 2 2 336.480 2.050 10 0 EEAELP CC(C)OCC[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001490423255 1291334271 /nfs/dbraw/zinc/33/42/71/1291334271.db2.gz YIVONTXGXDOPQS-UHFFFAOYSA-N 2 2 336.480 2.035 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1C ZINC000852031765 1291962730 /nfs/dbraw/zinc/96/27/30/1291962730.db2.gz XKJZAXOXRHTMLL-AWEZNQCLSA-N 2 2 334.464 2.379 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1C ZINC000852031765 1291962737 /nfs/dbraw/zinc/96/27/37/1291962737.db2.gz XKJZAXOXRHTMLL-AWEZNQCLSA-N 2 2 334.464 2.379 10 0 EEAELP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCc3cn[nH]c32)c2ccccc2)CC1 ZINC000857852612 1293931530 /nfs/dbraw/zinc/93/15/30/1293931530.db2.gz TXHKUGSSPUJASE-RTBURBONSA-N 2 2 339.487 2.365 10 0 EEAELP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000861615681 1295479280 /nfs/dbraw/zinc/47/92/80/1295479280.db2.gz UHABXBCRNWIVBT-VQISRLSMSA-N 2 2 342.846 2.213 10 0 EEAELP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000861615681 1295479286 /nfs/dbraw/zinc/47/92/86/1295479286.db2.gz UHABXBCRNWIVBT-VQISRLSMSA-N 2 2 342.846 2.213 10 0 EEAELP Cc1cc(NCCNC(=O)C2CC[NH+](C3CC3)CC2)nc(C(C)C)[nH+]1 ZINC000862860532 1295988731 /nfs/dbraw/zinc/98/87/31/1295988731.db2.gz DQGULSRQHYAFBK-UHFFFAOYSA-N 2 2 345.491 2.311 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000864054871 1296391877 /nfs/dbraw/zinc/39/18/77/1296391877.db2.gz CGSJLNJBWREKPR-NEPJUHHUSA-N 2 2 326.238 2.212 10 0 EEAELP COCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001277474047 1303556331 /nfs/dbraw/zinc/55/63/31/1303556331.db2.gz MROAPGLBOKXXPT-PKOBYXMFSA-N 2 2 348.491 2.185 10 0 EEAELP COCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001277474047 1303556338 /nfs/dbraw/zinc/55/63/38/1303556338.db2.gz MROAPGLBOKXXPT-PKOBYXMFSA-N 2 2 348.491 2.185 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001277862288 1304936359 /nfs/dbraw/zinc/93/63/59/1304936359.db2.gz HYJCARANWOJWPR-LLVKDONJSA-N 2 2 327.388 2.110 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH+]cn1C ZINC001278408378 1310112308 /nfs/dbraw/zinc/11/23/08/1310112308.db2.gz DHPYSVOQWJMBMQ-WMZOPIPTSA-N 2 2 340.471 2.174 10 0 EEAELP Cc1ccc(NC(=O)N(CC[NH3+])CCc2ccccc2)c(N(C)C)[nH+]1 ZINC000841154813 1315491678 /nfs/dbraw/zinc/49/16/78/1315491678.db2.gz NECOJVPOZWUJJC-UHFFFAOYSA-N 2 2 341.459 2.491 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001278618067 1317379760 /nfs/dbraw/zinc/37/97/60/1317379760.db2.gz GSWDFDUBOYISOX-IRXDYDNUSA-N 2 2 346.500 2.452 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCC(F)(F)C1 ZINC001265041397 1322883406 /nfs/dbraw/zinc/88/34/06/1322883406.db2.gz XEAPALQXBSKOFQ-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCCC(F)(F)C1 ZINC001265041397 1322883409 /nfs/dbraw/zinc/88/34/09/1322883409.db2.gz XEAPALQXBSKOFQ-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCC1=CCCCC1 ZINC001265792526 1323384081 /nfs/dbraw/zinc/38/40/81/1323384081.db2.gz PJSFMZOXZDJMRQ-RDJZCZTQSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001265961901 1323523105 /nfs/dbraw/zinc/52/31/05/1323523105.db2.gz KBSCBMQBNNFDPO-UXBLZVDNSA-N 2 2 326.444 2.412 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001265961901 1323523108 /nfs/dbraw/zinc/52/31/08/1323523108.db2.gz KBSCBMQBNNFDPO-UXBLZVDNSA-N 2 2 326.444 2.412 10 0 EEAELP CN(C(=O)CCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccon2)CC1 ZINC001266197214 1323758562 /nfs/dbraw/zinc/75/85/62/1323758562.db2.gz DZHZOQLJUQPDFN-UHFFFAOYSA-N 2 2 348.491 2.364 10 0 EEAELP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]CCCCCF)C1 ZINC001279249585 1323857393 /nfs/dbraw/zinc/85/73/93/1323857393.db2.gz LRZFWPMFIGXCGZ-HPUBIQBYSA-N 2 2 336.455 2.164 10 0 EEAELP CC1CC[NH+](CC(=O)NCC2=CC[N@@H+](Cc3ccns3)CC2)CC1 ZINC001279660581 1323972970 /nfs/dbraw/zinc/97/29/70/1323972970.db2.gz DDNWHKQTFXZIEM-UHFFFAOYSA-N 2 2 348.516 2.123 10 0 EEAELP COCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001284685860 1326666093 /nfs/dbraw/zinc/66/60/93/1326666093.db2.gz AZAHLPGCSIONBO-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001284685860 1326666096 /nfs/dbraw/zinc/66/60/96/1326666096.db2.gz AZAHLPGCSIONBO-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](C[NH2+]CCCF)C1 ZINC001491823883 1330264781 /nfs/dbraw/zinc/26/47/81/1330264781.db2.gz LHHCRBRZFDSKRC-HNNXBMFYSA-N 2 2 330.407 2.284 10 0 EEAELP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)o1 ZINC001491895625 1330293832 /nfs/dbraw/zinc/29/38/32/1330293832.db2.gz HPZLWQHQSVRCDS-HZPDHXFCSA-N 2 2 345.447 2.177 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CCC[C@H]2CCOC2)C1 ZINC001491962506 1330356873 /nfs/dbraw/zinc/35/68/73/1330356873.db2.gz FDZKDZBBPHSEOV-DLBZAZTESA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC[C@H]2CCOC2)C1 ZINC001491962506 1330356882 /nfs/dbraw/zinc/35/68/82/1330356882.db2.gz FDZKDZBBPHSEOV-DLBZAZTESA-N 2 2 348.491 2.000 10 0 EEAELP C[C@H](CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccon1)n1cc[nH+]c1 ZINC001492172497 1331050285 /nfs/dbraw/zinc/05/02/85/1331050285.db2.gz ZHAZZSDPDZCSMY-NVXWUHKLSA-N 2 2 345.447 2.383 10 0 EEAELP C[C@H](CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccon1)n1cc[nH+]c1 ZINC001492172497 1331050287 /nfs/dbraw/zinc/05/02/87/1331050287.db2.gz ZHAZZSDPDZCSMY-NVXWUHKLSA-N 2 2 345.447 2.383 10 0 EEAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001316709882 1331858270 /nfs/dbraw/zinc/85/82/70/1331858270.db2.gz PKARXGJEVORTDF-OLZOCXBDSA-N 2 2 332.370 2.052 10 0 EEAELP CC(C)(C(=O)NCCC[N@H+](Cc1ccon1)C1CC1)[NH+]1CCCCC1 ZINC001316914864 1331981394 /nfs/dbraw/zinc/98/13/94/1331981394.db2.gz LYXCUSVEFXNGOM-UHFFFAOYSA-N 2 2 348.491 2.410 10 0 EEAELP 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ZINC001317589300 1332312086 /nfs/dbraw/zinc/31/20/86/1332312086.db2.gz PAWJLNCYOHZNIK-LSDHHAIUSA-N 2 2 336.480 2.076 10 0 EEAELP Cc1ncccc1C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001317706246 1332380616 /nfs/dbraw/zinc/38/06/16/1332380616.db2.gz DPQGEEGYVXVUNC-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP Cc1ncccc1C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001317706246 1332380617 /nfs/dbraw/zinc/38/06/17/1332380617.db2.gz DPQGEEGYVXVUNC-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP COCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001318203990 1332487261 /nfs/dbraw/zinc/48/72/61/1332487261.db2.gz CZLYJGRDKZCUOZ-HOTGVXAUSA-N 2 2 342.443 2.278 10 0 EEAELP COCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001318203990 1332487263 /nfs/dbraw/zinc/48/72/63/1332487263.db2.gz CZLYJGRDKZCUOZ-HOTGVXAUSA-N 2 2 342.443 2.278 10 0 EEAELP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001318894393 1332618817 /nfs/dbraw/zinc/61/88/17/1332618817.db2.gz DXCBAAXVRUJJAO-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319537689 1332717379 /nfs/dbraw/zinc/71/73/79/1332717379.db2.gz JHWWSWFGKKOAFP-CHWSQXEVSA-N 2 2 328.407 2.214 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCCF)[C@@H](C)C3)ccn12 ZINC001319684426 1332741620 /nfs/dbraw/zinc/74/16/20/1332741620.db2.gz VCMCMPAMCFVPGY-BBRMVZONSA-N 2 2 332.423 2.443 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCCF)[C@@H](C)C3)ccn12 ZINC001319684431 1332741708 /nfs/dbraw/zinc/74/17/08/1332741708.db2.gz VCMCMPAMCFVPGY-XJKSGUPXSA-N 2 2 332.423 2.443 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2c(C)noc2C)c[nH+]1 ZINC001320464805 1332890268 /nfs/dbraw/zinc/89/02/68/1332890268.db2.gz SOWIYKSEEFPQKY-LBPRGKRZSA-N 2 2 347.463 2.216 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001320854844 1332965948 /nfs/dbraw/zinc/96/59/48/1332965948.db2.gz UROVGSARSPGIRQ-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)CCc1[nH+]ccn1C)c1ccccc1 ZINC001321170279 1333036325 /nfs/dbraw/zinc/03/63/25/1333036325.db2.gz UKROYFYJGBUUJV-WLMCBFPDSA-N 2 2 326.444 2.376 10 0 EEAELP Cc1nc(C)c(C[NH2+]C/C=C/CNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001321272073 1333060357 /nfs/dbraw/zinc/06/03/57/1333060357.db2.gz RKHGKYUUPWWJGI-MUBLQREKSA-N 2 2 347.488 2.370 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001322621579 1333295476 /nfs/dbraw/zinc/29/54/76/1333295476.db2.gz BIRLNIPFYAYYQZ-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001323641418 1333506123 /nfs/dbraw/zinc/50/61/23/1333506123.db2.gz IVVLFPJTRVNAFQ-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP CCOCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001323641418 1333506125 /nfs/dbraw/zinc/50/61/25/1333506125.db2.gz IVVLFPJTRVNAFQ-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CCC(F)(F)F)C1CCCC1 ZINC001324509656 1333698788 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2 2 342.487 2.112 10 0 EEAELP C/C(=C\c1ccncc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847484598 1338097185 /nfs/dbraw/zinc/09/71/85/1338097185.db2.gz CSIRWMAFSKMUJR-JRJUITNWSA-N 2 2 342.487 2.112 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)C1 ZINC000848659766 1338737095 /nfs/dbraw/zinc/73/70/95/1338737095.db2.gz RUKBWEXYXVTNMU-CVEARBPZSA-N 2 2 345.491 2.378 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)n2)C1 ZINC000848659766 1338737099 /nfs/dbraw/zinc/73/70/99/1338737099.db2.gz RUKBWEXYXVTNMU-CVEARBPZSA-N 2 2 345.491 2.378 10 0 EEAELP CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001614710262 1352321229 /nfs/dbraw/zinc/32/12/29/1352321229.db2.gz GVBDWJFWJLCTJG-SFHVURJKSA-N 2 2 348.466 2.389 10 0 EEAELP CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC001614710262 1352321232 /nfs/dbraw/zinc/32/12/32/1352321232.db2.gz GVBDWJFWJLCTJG-SFHVURJKSA-N 2 2 348.466 2.389 10 0 EEAELP CCN(CC[NH2+]CC[C@@H]1CCCCO1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001668614073 1355972940 /nfs/dbraw/zinc/97/29/40/1355972940.db2.gz JNPNGQCUXUQBPY-HNNXBMFYSA-N 2 2 336.480 2.085 10 0 EEAELP CC1(C)CC(C[NH+]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)C1 ZINC001434862574 1341973467 /nfs/dbraw/zinc/97/34/67/1341973467.db2.gz ZBDJIZGRWCVVPW-UHFFFAOYSA-N 2 2 344.503 2.342 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001436356763 1342049033 /nfs/dbraw/zinc/04/90/33/1342049033.db2.gz LMWODSPUZLUCEH-SFFUCWETSA-N 2 2 330.476 2.194 10 0 EEAELP c1cc(C[NH2+]Cc2ccc(-n3ccnc3)nc2)n(-c2cc[nH+]cc2)n1 ZINC001560258361 1342510572 /nfs/dbraw/zinc/51/05/72/1342510572.db2.gz FTUDXJCZFXNYNU-UHFFFAOYSA-N 2 2 331.383 2.138 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)sc1C ZINC001566678822 1342598865 /nfs/dbraw/zinc/59/88/65/1342598865.db2.gz GSIHSDDQZNUSBB-HNNXBMFYSA-N 2 2 338.521 2.182 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)sc1C ZINC001566678822 1342598868 /nfs/dbraw/zinc/59/88/68/1342598868.db2.gz GSIHSDDQZNUSBB-HNNXBMFYSA-N 2 2 338.521 2.182 10 0 EEAELP COCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001566692095 1342604297 /nfs/dbraw/zinc/60/42/97/1342604297.db2.gz AAONNSOYMWCWSJ-DLBZAZTESA-N 2 2 348.491 2.232 10 0 EEAELP CCOCC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001566985733 1342674110 /nfs/dbraw/zinc/67/41/10/1342674110.db2.gz PYPADXBDYLZQFK-UHFFFAOYSA-N 2 2 330.432 2.001 10 0 EEAELP O=C(NCCC[C@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001567254835 1342722003 /nfs/dbraw/zinc/72/20/03/1342722003.db2.gz RCOGBBKNSRBMHT-SJORKVTESA-N 2 2 330.476 2.216 10 0 EEAELP O=C(NCCC[C@H]1CCC[N@H+]1CC1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001567254835 1342722007 /nfs/dbraw/zinc/72/20/07/1342722007.db2.gz RCOGBBKNSRBMHT-SJORKVTESA-N 2 2 330.476 2.216 10 0 EEAELP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567731490 1342826725 /nfs/dbraw/zinc/82/67/25/1342826725.db2.gz NLQFJZLJNBNRPH-IAGOWNOFSA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567731490 1342826727 /nfs/dbraw/zinc/82/67/27/1342826727.db2.gz NLQFJZLJNBNRPH-IAGOWNOFSA-N 2 2 332.492 2.416 10 0 EEAELP CCN(CC[NH2+]Cc1nocc1C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001568782069 1342854837 /nfs/dbraw/zinc/85/48/37/1342854837.db2.gz ZPYUYVBOENTQJD-MRXNPFEDSA-N 2 2 336.480 2.186 10 0 EEAELP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001570712304 1343105725 /nfs/dbraw/zinc/10/57/25/1343105725.db2.gz IFZUAVQYFHTOEK-RHSMWYFYSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001570712304 1343105727 /nfs/dbraw/zinc/10/57/27/1343105727.db2.gz IFZUAVQYFHTOEK-RHSMWYFYSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001570712304 1343105729 /nfs/dbraw/zinc/10/57/29/1343105729.db2.gz IFZUAVQYFHTOEK-RHSMWYFYSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[N@H+](C)[C@H](C)CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001570712304 1343105737 /nfs/dbraw/zinc/10/57/37/1343105737.db2.gz IFZUAVQYFHTOEK-RHSMWYFYSA-N 2 2 333.480 2.193 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001676734668 1357189358 /nfs/dbraw/zinc/18/93/58/1357189358.db2.gz GEILZJGWOLGJLE-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001676734668 1357189360 /nfs/dbraw/zinc/18/93/60/1357189360.db2.gz GEILZJGWOLGJLE-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCc2ccsc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001676762753 1357195672 /nfs/dbraw/zinc/19/56/72/1357195672.db2.gz NOCVMIYEKYTDSC-CZUORRHYSA-N 2 2 332.473 2.226 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001676958909 1357249415 /nfs/dbraw/zinc/24/94/15/1357249415.db2.gz OZHXHUACSUULKD-MNOVXSKESA-N 2 2 331.247 2.146 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001676965786 1357251193 /nfs/dbraw/zinc/25/11/93/1357251193.db2.gz PRTBWCQNYGAVJE-ROUUACIJSA-N 2 2 340.471 2.460 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CCOc1ccccc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001677286819 1357307518 /nfs/dbraw/zinc/30/75/18/1357307518.db2.gz OYZUNWQSNZXKRD-QGZVFWFLSA-N 2 2 344.459 2.152 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1=CC[N@H+](C/C=C/Cl)CC1 ZINC001677566784 1357358021 /nfs/dbraw/zinc/35/80/21/1357358021.db2.gz NRTKTFSLOUWLNR-XVNBXDOJSA-N 2 2 348.878 2.263 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1=CC[N@@H+](C/C=C/Cl)CC1 ZINC001677566784 1357358025 /nfs/dbraw/zinc/35/80/25/1357358025.db2.gz NRTKTFSLOUWLNR-XVNBXDOJSA-N 2 2 348.878 2.263 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001629334436 1352552260 /nfs/dbraw/zinc/55/22/60/1352552260.db2.gz ZVAFLLRADRLYRJ-QGZVFWFLSA-N 2 2 348.366 2.102 10 0 EEAELP C[C@@H](O)CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001649463668 1353519462 /nfs/dbraw/zinc/51/94/62/1353519462.db2.gz ASPPKGAOWQIWDV-CQSZACIVSA-N 2 2 346.475 2.412 10 0 EEAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCCN(C)c3cccc[nH+]3)C[N@@H+]2C1 ZINC001650905983 1354033469 /nfs/dbraw/zinc/03/34/69/1354033469.db2.gz NCJCCHUHQGZFIV-IKGGRYGDSA-N 2 2 330.476 2.145 10 0 EEAELP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NCCCN(C)c3cccc[nH+]3)C[N@H+]2C1 ZINC001650905983 1354033472 /nfs/dbraw/zinc/03/34/72/1354033472.db2.gz NCJCCHUHQGZFIV-IKGGRYGDSA-N 2 2 330.476 2.145 10 0 EEAELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](Cc1ccon1)C1CC1 ZINC001660753158 1354532380 /nfs/dbraw/zinc/53/23/80/1354532380.db2.gz NAOQQYQILWFKOE-GJZGRUSLSA-N 2 2 334.464 2.018 10 0 EEAELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](Cc1ccon1)C1CC1 ZINC001660753158 1354532382 /nfs/dbraw/zinc/53/23/82/1354532382.db2.gz NAOQQYQILWFKOE-GJZGRUSLSA-N 2 2 334.464 2.018 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCC1=CCCCC1 ZINC001662261974 1354770971 /nfs/dbraw/zinc/77/09/71/1354770971.db2.gz GRAWKZUQQUBAEF-WBVHZDCISA-N 2 2 330.476 2.430 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)CCOCC3CCC3)ccn12 ZINC001663185307 1354932513 /nfs/dbraw/zinc/93/25/13/1354932513.db2.gz RQJCNSRSUJHJTO-UHFFFAOYSA-N 2 2 344.459 2.121 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)CCOCC3CCC3)ccn12 ZINC001663185307 1354932516 /nfs/dbraw/zinc/93/25/16/1354932516.db2.gz RQJCNSRSUJHJTO-UHFFFAOYSA-N 2 2 344.459 2.121 10 0 EEAELP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001664029904 1355077691 /nfs/dbraw/zinc/07/76/91/1355077691.db2.gz YIUFTRAWKJSMIX-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCC[C@@H]2CCOC2)c(C)[nH+]1 ZINC001664086122 1355089819 /nfs/dbraw/zinc/08/98/19/1355089819.db2.gz XKKISTKAVMBDIK-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCOC1CCC1 ZINC001667400464 1355732775 /nfs/dbraw/zinc/73/27/75/1355732775.db2.gz JPFAQFUHWJJVCT-KSSFIOAISA-N 2 2 348.491 2.046 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[C@@H]3C[NH2+]CCCF)ccn12 ZINC001667729744 1355799319 /nfs/dbraw/zinc/79/93/19/1355799319.db2.gz SMDUGESYUJABBD-HZPDHXFCSA-N 2 2 332.423 2.490 10 0 EEAELP CCN(CC[NH2+]C/C(Cl)=C/Cl)C(=O)c1cc(C[NH+](C)C)on1 ZINC001668477415 1355948609 /nfs/dbraw/zinc/94/86/09/1355948609.db2.gz BGJQNCVYGPEFBC-FLIBITNWSA-N 2 2 349.262 2.107 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]CCO[C@H]2CC2(F)F)c(C)[nH+]1 ZINC001669617826 1356185051 /nfs/dbraw/zinc/18/50/51/1356185051.db2.gz IZIKCNXMRBRULP-JSGCOSHPSA-N 2 2 341.402 2.139 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001670291618 1356312662 /nfs/dbraw/zinc/31/26/62/1356312662.db2.gz RPCRDWWPECAMSA-UHFFFAOYSA-N 2 2 343.475 2.417 10 0 EEAELP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001672816828 1356591678 /nfs/dbraw/zinc/59/16/78/1356591678.db2.gz XNPUUCAHKSMOMY-SJORKVTESA-N 2 2 332.492 2.320 10 0 EEAELP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cncc(F)c1 ZINC001674212254 1356804961 /nfs/dbraw/zinc/80/49/61/1356804961.db2.gz HZIHOKPNTQGSIS-ZDUSSCGKSA-N 2 2 341.390 2.167 10 0 EEAELP CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001690772877 1404937594 /nfs/dbraw/zinc/93/75/94/1404937594.db2.gz YBDCBBPSTDQZRJ-SJORKVTESA-N 2 2 344.459 2.310 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC001698891496 1405134385 /nfs/dbraw/zinc/13/43/85/1405134385.db2.gz HWTWQUTVHGBSGF-SJLPKXTDSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001699120205 1405276387 /nfs/dbraw/zinc/27/63/87/1405276387.db2.gz IMWVJMCXLXAWRM-GFCCVEGCSA-N 2 2 336.386 2.478 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2(Br)CC2)CC1 ZINC000846804714 790624990 /nfs/dbraw/zinc/62/49/90/790624990.db2.gz YAIUYWUSNKMQHJ-AWEZNQCLSA-N 2 2 330.314 2.016 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2(Br)CC2)CC1 ZINC000846804714 790624999 /nfs/dbraw/zinc/62/49/99/790624999.db2.gz YAIUYWUSNKMQHJ-AWEZNQCLSA-N 2 2 330.314 2.016 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc(SC)cn3)CC2)CC1 ZINC000817125268 784521678 /nfs/dbraw/zinc/52/16/78/784521678.db2.gz NKRUNOBFDUXLER-UHFFFAOYSA-N 2 2 335.521 2.195 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(c3ncc(SC)cn3)CC2)CC1 ZINC000817125268 784521681 /nfs/dbraw/zinc/52/16/81/784521681.db2.gz NKRUNOBFDUXLER-UHFFFAOYSA-N 2 2 335.521 2.195 10 0 EEAELP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000911200714 787304202 /nfs/dbraw/zinc/30/42/02/787304202.db2.gz LDWMXMIENUOROP-GOSISDBHSA-N 2 2 341.459 2.161 10 0 EEAELP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000911200714 787304211 /nfs/dbraw/zinc/30/42/11/787304211.db2.gz LDWMXMIENUOROP-GOSISDBHSA-N 2 2 341.459 2.161 10 0 EEAELP CC[NH2+]CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000844201910 788922604 /nfs/dbraw/zinc/92/26/04/788922604.db2.gz CHGYMQSLRJOWOO-QAPCUYQASA-N 2 2 332.492 2.058 10 0 EEAELP CC[NH2+]CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000844201910 788922611 /nfs/dbraw/zinc/92/26/11/788922611.db2.gz CHGYMQSLRJOWOO-QAPCUYQASA-N 2 2 332.492 2.058 10 0 EEAELP C([C@H]1CC2CCC1CC2)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000923366989 789443875 /nfs/dbraw/zinc/44/38/75/789443875.db2.gz CIQWDYYBYBEGCX-VMBOVVBDSA-N 2 2 329.492 2.387 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536021 789737390 /nfs/dbraw/zinc/73/73/90/789737390.db2.gz HBHWBJNJGVOOIO-FQEVSTJZSA-N 2 2 341.455 2.281 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923536021 789737394 /nfs/dbraw/zinc/73/73/94/789737394.db2.gz HBHWBJNJGVOOIO-FQEVSTJZSA-N 2 2 341.455 2.281 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCn2c[nH+]cc2-c2ccccc2)CC[N@@H+]1C ZINC000913710910 794164644 /nfs/dbraw/zinc/16/46/44/794164644.db2.gz HKJKMWJODUKGNQ-RDJZCZTQSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCn2c[nH+]cc2-c2ccccc2)CC[N@H+]1C ZINC000913710910 794164649 /nfs/dbraw/zinc/16/46/49/794164649.db2.gz HKJKMWJODUKGNQ-RDJZCZTQSA-N 2 2 326.444 2.397 10 0 EEAELP CC[C@@H]1COCC[N@@H+]1CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000913809760 794313829 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/nfs/dbraw/zinc/44/41/70/796444170.db2.gz FWANSHINJLCCIU-VJANTYMQSA-N 2 2 348.512 2.206 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]C3(CC(N)=O)CCC3)CC2)cc1 ZINC000921970041 798474710 /nfs/dbraw/zinc/47/47/10/798474710.db2.gz ARDVWLHSFIGJHT-UHFFFAOYSA-N 2 2 330.476 2.109 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001436406070 1087754297 /nfs/dbraw/zinc/75/42/97/1087754297.db2.gz SXNKUVZYIHJVLP-RZDIXWSQSA-N 2 2 338.455 2.445 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccn3)C2)c[nH+]1 ZINC001436431953 1087807419 /nfs/dbraw/zinc/80/74/19/1087807419.db2.gz OSZFFQAIPGEOSN-JCNLHEQBSA-N 2 2 341.459 2.006 10 0 EEAELP Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)[C@H]2C)cc1 ZINC001436481510 1087963690 /nfs/dbraw/zinc/96/36/90/1087963690.db2.gz MMRUASLAGAVWQE-APWZRJJASA-N 2 2 340.471 2.472 10 0 EEAELP Cc1ccc(CC[N@@H+]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)[C@H]2C)cc1 ZINC001436481510 1087963701 /nfs/dbraw/zinc/96/37/01/1087963701.db2.gz MMRUASLAGAVWQE-APWZRJJASA-N 2 2 340.471 2.472 10 0 EEAELP Cc1ccc(CC[N@H+]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)[C@H]2C)cc1 ZINC001436481510 1087963714 /nfs/dbraw/zinc/96/37/14/1087963714.db2.gz MMRUASLAGAVWQE-APWZRJJASA-N 2 2 340.471 2.472 10 0 EEAELP Cc1ccc(CC[N@@H+]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)[C@H]2C)cc1 ZINC001436481510 1087963725 /nfs/dbraw/zinc/96/37/25/1087963725.db2.gz MMRUASLAGAVWQE-APWZRJJASA-N 2 2 340.471 2.472 10 0 EEAELP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C1)c1ccccc1 ZINC001436746414 1088237642 /nfs/dbraw/zinc/23/76/42/1088237642.db2.gz XFNDHMRBFNLBME-GJZGRUSLSA-N 2 2 343.393 2.432 10 0 EEAELP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C1)c1ccccc1 ZINC001436746414 1088237657 /nfs/dbraw/zinc/23/76/57/1088237657.db2.gz XFNDHMRBFNLBME-GJZGRUSLSA-N 2 2 343.393 2.432 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(F)cc1F ZINC001437163746 1089177720 /nfs/dbraw/zinc/17/77/20/1089177720.db2.gz GYUXSGPINBJOHJ-CHWSQXEVSA-N 2 2 348.397 2.018 10 0 EEAELP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001437336677 1089526628 /nfs/dbraw/zinc/52/66/28/1089526628.db2.gz PXRTVGISOARHMV-WMZOPIPTSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001437336677 1089526636 /nfs/dbraw/zinc/52/66/36/1089526636.db2.gz PXRTVGISOARHMV-WMZOPIPTSA-N 2 2 332.492 2.414 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001437427379 1089721290 /nfs/dbraw/zinc/72/12/90/1089721290.db2.gz JJYNGNORRZCHPT-ZIAGYGMSSA-N 2 2 328.407 2.193 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC001438275122 1090760627 /nfs/dbraw/zinc/76/06/27/1090760627.db2.gz YYFODVGYIXOPFI-GOSISDBHSA-N 2 2 344.434 2.454 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC001438275122 1090760630 /nfs/dbraw/zinc/76/06/30/1090760630.db2.gz YYFODVGYIXOPFI-GOSISDBHSA-N 2 2 344.434 2.454 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C[NH2+]CC1CCCC1 ZINC001438488390 1090988911 /nfs/dbraw/zinc/98/89/11/1090988911.db2.gz BKWLMSQJHSYOFC-KBXCAEBGSA-N 2 2 347.507 2.322 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C[NH2+]CC1CCCC1 ZINC001438488390 1090988913 /nfs/dbraw/zinc/98/89/13/1090988913.db2.gz BKWLMSQJHSYOFC-KBXCAEBGSA-N 2 2 347.507 2.322 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001438511528 1091004331 /nfs/dbraw/zinc/00/43/31/1091004331.db2.gz VRSWOYMVOKQOHV-CQSZACIVSA-N 2 2 345.418 2.314 10 0 EEAELP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001438598009 1091087313 /nfs/dbraw/zinc/08/73/13/1091087313.db2.gz BPLGKNLPJWAZBI-LSDHHAIUSA-N 2 2 336.455 2.212 10 0 EEAELP C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CCc1[nH+]ccn1C ZINC001445768369 1091624224 /nfs/dbraw/zinc/62/42/24/1091624224.db2.gz UANLNWDNPXZMDU-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)CCc1[nH+]ccn1C ZINC001445768369 1091624227 /nfs/dbraw/zinc/62/42/27/1091624227.db2.gz UANLNWDNPXZMDU-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C[NH2+]Cc2ccns2)C2CC2)c[nH+]1 ZINC001445951242 1091893759 /nfs/dbraw/zinc/89/37/59/1091893759.db2.gz IZZXYQNGMUPLNT-OAHLLOKOSA-N 2 2 347.488 2.068 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1Cl)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001439250795 1091900108 /nfs/dbraw/zinc/90/01/08/1091900108.db2.gz CXIHGONUFCNTDR-NWANDNLSSA-N 2 2 346.862 2.472 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001446181611 1092253135 /nfs/dbraw/zinc/25/31/35/1092253135.db2.gz MCRDNSNNRUUNHV-GJZGRUSLSA-N 2 2 334.464 2.157 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001446181611 1092253150 /nfs/dbraw/zinc/25/31/50/1092253150.db2.gz MCRDNSNNRUUNHV-GJZGRUSLSA-N 2 2 334.464 2.157 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)C1C[NH+](CCc2ccccc2)C1 ZINC001439755824 1092715591 /nfs/dbraw/zinc/71/55/91/1092715591.db2.gz CUDZLPKGBLMFDK-UHFFFAOYSA-N 2 2 326.444 2.049 10 0 EEAELP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001439887603 1092942229 /nfs/dbraw/zinc/94/22/29/1092942229.db2.gz HCHDUUFWQKADAZ-LJQANCHMSA-N 2 2 332.492 2.246 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001440409522 1093602530 /nfs/dbraw/zinc/60/25/30/1093602530.db2.gz JCJQPQHTVBBVHI-GOEBONIOSA-N 2 2 344.434 2.474 10 0 EEAELP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001448687404 1093751612 /nfs/dbraw/zinc/75/16/12/1093751612.db2.gz VVMIELIOJUFRGQ-ZFWWWQNUSA-N 2 2 344.459 2.428 10 0 EEAELP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001440668661 1093932967 /nfs/dbraw/zinc/93/29/67/1093932967.db2.gz KMFHQGRBUIAPHN-AWEZNQCLSA-N 2 2 347.463 2.243 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1cc(C2CC2)no1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449282588 1094231993 /nfs/dbraw/zinc/23/19/93/1094231993.db2.gz YNWQKKULBSKMLW-INIZCTEOSA-N 2 2 348.491 2.173 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1cc(C2CC2)no1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001449282588 1094231998 /nfs/dbraw/zinc/23/19/98/1094231998.db2.gz YNWQKKULBSKMLW-INIZCTEOSA-N 2 2 348.491 2.173 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1cc(C2CC2)no1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449282588 1094232001 /nfs/dbraw/zinc/23/20/01/1094232001.db2.gz YNWQKKULBSKMLW-INIZCTEOSA-N 2 2 348.491 2.173 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1cc(C2CC2)no1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449282588 1094232009 /nfs/dbraw/zinc/23/20/09/1094232009.db2.gz YNWQKKULBSKMLW-INIZCTEOSA-N 2 2 348.491 2.173 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001449351573 1094310426 /nfs/dbraw/zinc/31/04/26/1094310426.db2.gz FSVNVCVSXFFKKC-LSDHHAIUSA-N 2 2 338.471 2.318 10 0 EEAELP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1nsc2ccccc12 ZINC001441030146 1094320492 /nfs/dbraw/zinc/32/04/92/1094320492.db2.gz UHJNYFYKKVIGOU-AWEZNQCLSA-N 2 2 346.500 2.329 10 0 EEAELP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1nsc2ccccc12 ZINC001441030146 1094320500 /nfs/dbraw/zinc/32/05/00/1094320500.db2.gz UHJNYFYKKVIGOU-AWEZNQCLSA-N 2 2 346.500 2.329 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C2CC2)sn1 ZINC001441257167 1094655676 /nfs/dbraw/zinc/65/56/76/1094655676.db2.gz JVDKUPYDXOHLJO-BZNIZROVSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C2CC2)sn1 ZINC001441257167 1094655682 /nfs/dbraw/zinc/65/56/82/1094655682.db2.gz JVDKUPYDXOHLJO-BZNIZROVSA-N 2 2 347.488 2.038 10 0 EEAELP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001441389226 1094944476 /nfs/dbraw/zinc/94/44/76/1094944476.db2.gz UHSHUHUECXCHNW-FVQBIDKESA-N 2 2 336.455 2.195 10 0 EEAELP C[C@@H](F)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001441389226 1094944480 /nfs/dbraw/zinc/94/44/80/1094944480.db2.gz UHSHUHUECXCHNW-FVQBIDKESA-N 2 2 336.455 2.195 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)s1 ZINC001441418419 1095003177 /nfs/dbraw/zinc/00/31/77/1095003177.db2.gz OBAZUZPNBRPBMP-CQSZACIVSA-N 2 2 335.477 2.038 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC(C)(C)C1 ZINC001441551481 1095278855 /nfs/dbraw/zinc/27/88/55/1095278855.db2.gz DMVYJYWCKPEMEA-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001441875277 1095995645 /nfs/dbraw/zinc/99/56/45/1095995645.db2.gz MTSAOLKKJFFWJW-UKRRQHHQSA-N 2 2 346.862 2.393 10 0 EEAELP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1nccs1)CC2)[NH+](C)C ZINC001441890282 1096024324 /nfs/dbraw/zinc/02/43/24/1096024324.db2.gz XFYWXXHZLREHEZ-CPUCHLNUSA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1nccs1)CC2)[NH+](C)C ZINC001441890282 1096024336 /nfs/dbraw/zinc/02/43/36/1096024336.db2.gz XFYWXXHZLREHEZ-CPUCHLNUSA-N 2 2 336.505 2.097 10 0 EEAELP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001441931671 1096122196 /nfs/dbraw/zinc/12/21/96/1096122196.db2.gz OFDVBWXVBJFKTP-OTIVFRFGSA-N 2 2 338.455 2.492 10 0 EEAELP Cc1cc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)sn1 ZINC001442555650 1096918632 /nfs/dbraw/zinc/91/86/32/1096918632.db2.gz XZXNWHHBEVTVNP-GOEBONIOSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)sn1 ZINC001442555650 1096918636 /nfs/dbraw/zinc/91/86/36/1096918636.db2.gz XZXNWHHBEVTVNP-GOEBONIOSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)sn1 ZINC001442555650 1096918637 /nfs/dbraw/zinc/91/86/37/1096918637.db2.gz XZXNWHHBEVTVNP-GOEBONIOSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)sn1 ZINC001442555650 1096918641 /nfs/dbraw/zinc/91/86/41/1096918641.db2.gz XZXNWHHBEVTVNP-GOEBONIOSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443271793 1097755010 /nfs/dbraw/zinc/75/50/10/1097755010.db2.gz VGLFCZXMRPJMBS-INIZCTEOSA-N 2 2 344.434 2.359 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443271793 1097755016 /nfs/dbraw/zinc/75/50/16/1097755016.db2.gz VGLFCZXMRPJMBS-INIZCTEOSA-N 2 2 344.434 2.359 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1)[NH+](C)C ZINC001443876450 1098402766 /nfs/dbraw/zinc/40/27/66/1098402766.db2.gz WQOCAPFTRLGQID-LSDHHAIUSA-N 2 2 338.521 2.215 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1)[NH+](C)C ZINC001443876450 1098402769 /nfs/dbraw/zinc/40/27/69/1098402769.db2.gz WQOCAPFTRLGQID-LSDHHAIUSA-N 2 2 338.521 2.215 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(C)cc1 ZINC001443947010 1098466694 /nfs/dbraw/zinc/46/66/94/1098466694.db2.gz CRRBEPBKZHMHHQ-ZWKOTPCHSA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1csc(C)n1 ZINC001444009667 1098525914 /nfs/dbraw/zinc/52/59/14/1098525914.db2.gz OOGRUAKJLSTZTE-GXTWGEPZSA-N 2 2 335.477 2.284 10 0 EEAELP CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cncc(F)c1 ZINC001444010320 1098526877 /nfs/dbraw/zinc/52/68/77/1098526877.db2.gz PHQURQGDDCPUNE-CJNGLKHVSA-N 2 2 333.411 2.053 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@H]1CCc2ccccc21 ZINC001444325217 1098888331 /nfs/dbraw/zinc/88/83/31/1098888331.db2.gz OPZWKKYCQKRHBT-KSSFIOAISA-N 2 2 326.444 2.372 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@H]1CCc2ccccc21 ZINC001444325217 1098888342 /nfs/dbraw/zinc/88/83/42/1098888342.db2.gz OPZWKKYCQKRHBT-KSSFIOAISA-N 2 2 326.444 2.372 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1c(F)cccc1F ZINC001444332122 1098899187 /nfs/dbraw/zinc/89/91/87/1098899187.db2.gz UDJVXXMVBWRKDT-YNEHKIRRSA-N 2 2 348.397 2.334 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCc2ccccc2C1 ZINC001479817548 1099090857 /nfs/dbraw/zinc/09/08/57/1099090857.db2.gz VKRVMPUNXWGESZ-KRWDZBQOSA-N 2 2 340.471 2.126 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@H]1CCc2ccccc2C1 ZINC001479817548 1099090869 /nfs/dbraw/zinc/09/08/69/1099090869.db2.gz VKRVMPUNXWGESZ-KRWDZBQOSA-N 2 2 340.471 2.126 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C2CC2)s1 ZINC001480054428 1099568652 /nfs/dbraw/zinc/56/86/52/1099568652.db2.gz XMPXIKHSWOJROL-BZNIZROVSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C2CC2)s1 ZINC001480054428 1099568664 /nfs/dbraw/zinc/56/86/64/1099568664.db2.gz XMPXIKHSWOJROL-BZNIZROVSA-N 2 2 347.488 2.038 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001480150888 1099720404 /nfs/dbraw/zinc/72/04/04/1099720404.db2.gz PAHAAKSZFXUANS-KKUMJFAQSA-N 2 2 340.418 2.336 10 0 EEAELP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3C)C2)oc1C ZINC001480227599 1099850742 /nfs/dbraw/zinc/85/07/42/1099850742.db2.gz GGNYFMATNZBRHL-IYBDPMFKSA-N 2 2 345.447 2.014 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001480351036 1100121066 /nfs/dbraw/zinc/12/10/66/1100121066.db2.gz FXUMHLDKDSWFPN-DLBZAZTESA-N 2 2 332.492 2.462 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001480395200 1100203694 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ZINC001498427555 1107504112 /nfs/dbraw/zinc/50/41/12/1107504112.db2.gz XKMDHNIXGCBWOL-SWLSCSKDSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001498427555 1107504118 /nfs/dbraw/zinc/50/41/18/1107504118.db2.gz XKMDHNIXGCBWOL-SWLSCSKDSA-N 2 2 338.521 2.038 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001493126743 1107551217 /nfs/dbraw/zinc/55/12/17/1107551217.db2.gz ZLDURQHBHVDAPZ-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC1CC2(CCC2)C1 ZINC001493126743 1107551227 /nfs/dbraw/zinc/55/12/27/1107551227.db2.gz ZLDURQHBHVDAPZ-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1oc(C)nc1C ZINC001498454283 1107559159 /nfs/dbraw/zinc/55/91/59/1107559159.db2.gz BEGOUWAKPLJUDT-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1oc(C)nc1C ZINC001498454283 1107559166 /nfs/dbraw/zinc/55/91/66/1107559166.db2.gz BEGOUWAKPLJUDT-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1oc(C)nc1C ZINC001498454283 1107559176 /nfs/dbraw/zinc/55/91/76/1107559176.db2.gz BEGOUWAKPLJUDT-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ncc(C)o1)[NH+](CC)CC ZINC001493134168 1107569159 /nfs/dbraw/zinc/56/91/59/1107569159.db2.gz BZKRNRJMFWUHSV-HZPDHXFCSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ncc(C)o1)[NH+](CC)CC ZINC001493134168 1107569164 /nfs/dbraw/zinc/56/91/64/1107569164.db2.gz BZKRNRJMFWUHSV-HZPDHXFCSA-N 2 2 336.480 2.184 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493600027 1108384022 /nfs/dbraw/zinc/38/40/22/1108384022.db2.gz BKOAXNLCZKGJIU-OAHLLOKOSA-N 2 2 346.862 2.347 10 0 EEAELP CN(CC[NH2+]Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001493700189 1108527392 /nfs/dbraw/zinc/52/73/92/1108527392.db2.gz TVHHQKWRRPXAHZ-HUUCEWRRSA-N 2 2 348.397 2.050 10 0 EEAELP 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ZINC001460796065 1110324221 /nfs/dbraw/zinc/32/42/21/1110324221.db2.gz UYWXNROBGRDOIC-INIZCTEOSA-N 2 2 325.884 2.213 10 0 EEAELP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001463660825 1110378383 /nfs/dbraw/zinc/37/83/83/1110378383.db2.gz OLZVGBMOIQKERQ-RTBURBONSA-N 2 2 345.487 2.433 10 0 EEAELP CC[N@H+]1CC[C@@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001463660825 1110378384 /nfs/dbraw/zinc/37/83/84/1110378384.db2.gz OLZVGBMOIQKERQ-RTBURBONSA-N 2 2 345.487 2.433 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001499128257 1112138823 /nfs/dbraw/zinc/13/88/23/1112138823.db2.gz VBIPIYOFCICVBK-OAHLLOKOSA-N 2 2 336.505 2.018 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001499128257 1112138825 /nfs/dbraw/zinc/13/88/25/1112138825.db2.gz VBIPIYOFCICVBK-OAHLLOKOSA-N 2 2 336.505 2.018 10 0 EEAELP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001499268861 1112210118 /nfs/dbraw/zinc/21/01/18/1112210118.db2.gz 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CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001501587478 1113392008 /nfs/dbraw/zinc/39/20/08/1113392008.db2.gz UIFAGOBFWKMNFK-IRXDYDNUSA-N 2 2 330.476 2.240 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CCC2)o1 ZINC001501967769 1113541316 /nfs/dbraw/zinc/54/13/16/1113541316.db2.gz BAMWRKTVDAPQES-HZPDHXFCSA-N 2 2 346.475 2.128 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CCC2)o1 ZINC001501967769 1113541319 /nfs/dbraw/zinc/54/13/19/1113541319.db2.gz BAMWRKTVDAPQES-HZPDHXFCSA-N 2 2 346.475 2.128 10 0 EEAELP Cc1noc(C)c1C[N@@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001502390779 1113661784 /nfs/dbraw/zinc/66/17/84/1113661784.db2.gz RECRXPJHJIFZGD-UHFFFAOYSA-N 2 2 347.463 2.273 10 0 EEAELP Cc1noc(C)c1C[N@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001502390779 1113661785 /nfs/dbraw/zinc/66/17/85/1113661785.db2.gz RECRXPJHJIFZGD-UHFFFAOYSA-N 2 2 347.463 2.273 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)no1 ZINC001505455664 1113989994 /nfs/dbraw/zinc/98/99/94/1113989994.db2.gz FWIZMYPUIGUHRD-KRWDZBQOSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)no1 ZINC001505455664 1113989996 /nfs/dbraw/zinc/98/99/96/1113989996.db2.gz FWIZMYPUIGUHRD-KRWDZBQOSA-N 2 2 336.480 2.138 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1coc(C2CC2)n1 ZINC001505466299 1114001666 /nfs/dbraw/zinc/00/16/66/1114001666.db2.gz WDIQGOUOZZSTQM-QGZVFWFLSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)Cc1coc(C2CC2)n1 ZINC001505466299 1114001669 /nfs/dbraw/zinc/00/16/69/1114001669.db2.gz WDIQGOUOZZSTQM-QGZVFWFLSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1coc(C2CC2)n1 ZINC001505466299 1114001672 /nfs/dbraw/zinc/00/16/72/1114001672.db2.gz WDIQGOUOZZSTQM-QGZVFWFLSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001505466299 1114001674 /nfs/dbraw/zinc/00/16/74/1114001674.db2.gz WDIQGOUOZZSTQM-QGZVFWFLSA-N 2 2 348.491 2.315 10 0 EEAELP CCOCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001505663159 1114116910 /nfs/dbraw/zinc/11/69/10/1114116910.db2.gz BAYLTRBUVCDLJK-LSDHHAIUSA-N 2 2 330.432 2.005 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1cncs1)C(=O)C[NH+](C)C1CCC1 ZINC001507794515 1115348497 /nfs/dbraw/zinc/34/84/97/1115348497.db2.gz WATSEFLGCYCMFR-UHFFFAOYSA-N 2 2 338.521 2.296 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1cncs1)C(=O)C[NH+](C)C1CCC1 ZINC001507794515 1115348501 /nfs/dbraw/zinc/34/85/01/1115348501.db2.gz WATSEFLGCYCMFR-UHFFFAOYSA-N 2 2 338.521 2.296 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1cncs1)C(=O)C[N@H+](C)C1CCC1 ZINC001507794515 1115348506 /nfs/dbraw/zinc/34/85/06/1115348506.db2.gz WATSEFLGCYCMFR-UHFFFAOYSA-N 2 2 338.521 2.296 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1cncs1)C(=O)C[N@@H+](C)C1CCC1 ZINC001507794515 1115348509 /nfs/dbraw/zinc/34/85/09/1115348509.db2.gz WATSEFLGCYCMFR-UHFFFAOYSA-N 2 2 338.521 2.296 10 0 EEAELP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC001508082898 1115415233 /nfs/dbraw/zinc/41/52/33/1115415233.db2.gz LDOLCYCCPBOTAQ-GVIGZQTCSA-N 2 2 336.307 2.474 10 0 EEAELP C[C@@](C[NH2+]Cc1cccc(Cl)n1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001568034763 1124241605 /nfs/dbraw/zinc/24/16/05/1124241605.db2.gz WSFRCLIFQCAMCF-KRWDZBQOSA-N 2 2 347.850 2.006 10 0 EEAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CCC(F)(F)F ZINC001568179959 1124342536 /nfs/dbraw/zinc/34/25/36/1124342536.db2.gz IFELHNLGAXGLOD-JTQLQIEISA-N 2 2 328.338 2.471 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001568799321 1124813195 /nfs/dbraw/zinc/81/31/95/1124813195.db2.gz BJLIEZCGQMMKIP-ZIAGYGMSSA-N 2 2 336.480 2.102 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]CCc1ccccc1Cl ZINC001568924826 1124954461 /nfs/dbraw/zinc/95/44/61/1124954461.db2.gz KUXORYHKDFLLFF-ONEGZZNKSA-N 2 2 332.835 2.110 10 0 EEAELP CN(CCC[NH2+]CC(F)(F)C(F)F)C(=O)CC1CC[NH+](C)CC1 ZINC001569246719 1125192667 /nfs/dbraw/zinc/19/26/67/1125192667.db2.gz NFODQUCOQHSKDU-UHFFFAOYSA-N 2 2 341.393 2.057 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)CCc1c[nH+]cn1C ZINC001569262109 1125203272 /nfs/dbraw/zinc/20/32/72/1125203272.db2.gz OYHIAUQUOCNQSU-LJQANCHMSA-N 2 2 340.471 2.478 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001569312855 1125223974 /nfs/dbraw/zinc/22/39/74/1125223974.db2.gz KEPQMLVCVNQFDU-OAHLLOKOSA-N 2 2 347.850 2.006 10 0 EEAELP C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000118843839 282355601 /nfs/dbraw/zinc/35/56/01/282355601.db2.gz QOYXTSVESDWKSS-VQIMIIECSA-N 2 2 329.488 2.454 10 0 EEAELP C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000118843839 282355602 /nfs/dbraw/zinc/35/56/02/282355602.db2.gz QOYXTSVESDWKSS-VQIMIIECSA-N 2 2 329.488 2.454 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000118843839 282355603 /nfs/dbraw/zinc/35/56/03/282355603.db2.gz QOYXTSVESDWKSS-VQIMIIECSA-N 2 2 329.488 2.454 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843839 282355604 /nfs/dbraw/zinc/35/56/04/282355604.db2.gz QOYXTSVESDWKSS-VQIMIIECSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)s1 ZINC000193313609 539648030 /nfs/dbraw/zinc/64/80/30/539648030.db2.gz JKEDJMIVEHKJQU-UHFFFAOYSA-N 2 2 332.473 2.311 10 0 EEAELP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000069775524 202293204 /nfs/dbraw/zinc/29/32/04/202293204.db2.gz IMPHZJPDRCGKSX-GOSISDBHSA-N 2 2 326.444 2.487 10 0 EEAELP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000069775524 202293207 /nfs/dbraw/zinc/29/32/07/202293207.db2.gz IMPHZJPDRCGKSX-GOSISDBHSA-N 2 2 326.444 2.487 10 0 EEAELP Fc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CNc4ccnn4C3)CC2)cc1 ZINC000058315698 201141382 /nfs/dbraw/zinc/14/13/82/201141382.db2.gz YVGUROBWPJLBDW-MRXNPFEDSA-N 2 2 343.450 2.318 10 0 EEAELP Fc1ccc([C@@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCO2)cc1 ZINC000423039334 240340287 /nfs/dbraw/zinc/34/02/87/240340287.db2.gz QIYJSCYQSRGWPD-XWSJACJDSA-N 2 2 334.435 2.402 10 0 EEAELP Cc1ccc2c(CC[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cn(C)c2c1 ZINC000423059491 240345256 /nfs/dbraw/zinc/34/52/56/240345256.db2.gz MBVAYTRFNTUDLE-WOJBJXKFSA-N 2 2 327.472 2.386 10 0 EEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000106123123 204186812 /nfs/dbraw/zinc/18/68/12/204186812.db2.gz IMIFQQWFMCHZOA-LJQANCHMSA-N 2 2 335.467 2.053 10 0 EEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000106123123 204186813 /nfs/dbraw/zinc/18/68/13/204186813.db2.gz IMIFQQWFMCHZOA-LJQANCHMSA-N 2 2 335.467 2.053 10 0 EEAELP Cc1cc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n(C(C)(C)C)n1 ZINC000246770205 205231204 /nfs/dbraw/zinc/23/12/04/205231204.db2.gz ODUCWSZRVYGLIV-GJZGRUSLSA-N 2 2 335.496 2.300 10 0 EEAELP Cc1cc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n(C(C)(C)C)n1 ZINC000246770205 205231209 /nfs/dbraw/zinc/23/12/09/205231209.db2.gz ODUCWSZRVYGLIV-GJZGRUSLSA-N 2 2 335.496 2.300 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n(C(C)(C)C)n1 ZINC000246770205 205231214 /nfs/dbraw/zinc/23/12/14/205231214.db2.gz ODUCWSZRVYGLIV-GJZGRUSLSA-N 2 2 335.496 2.300 10 0 EEAELP Cc1cc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n(C(C)(C)C)n1 ZINC000246770205 205231217 /nfs/dbraw/zinc/23/12/17/205231217.db2.gz ODUCWSZRVYGLIV-GJZGRUSLSA-N 2 2 335.496 2.300 10 0 EEAELP C[N@@H+]1CCC[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000131256087 205280979 /nfs/dbraw/zinc/28/09/79/205280979.db2.gz CQELSOHKNSKTJI-OKZBNKHCSA-N 2 2 337.895 2.396 10 0 EEAELP C[N@H+]1CCC[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000131256087 205280982 /nfs/dbraw/zinc/28/09/82/205280982.db2.gz CQELSOHKNSKTJI-OKZBNKHCSA-N 2 2 337.895 2.396 10 0 EEAELP C[NH+]1CCC[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000131256087 205280987 /nfs/dbraw/zinc/28/09/87/205280987.db2.gz CQELSOHKNSKTJI-OKZBNKHCSA-N 2 2 337.895 2.396 10 0 EEAELP C[NH+]1CCC[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000131256087 205280990 /nfs/dbraw/zinc/28/09/90/205280990.db2.gz CQELSOHKNSKTJI-OKZBNKHCSA-N 2 2 337.895 2.396 10 0 EEAELP C[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000175250914 207108919 /nfs/dbraw/zinc/10/89/19/207108919.db2.gz UBICTJSCBMWAIQ-OAHLLOKOSA-N 2 2 327.432 2.148 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177771632 207393367 /nfs/dbraw/zinc/39/33/67/207393367.db2.gz TZMRTOFVABDBPU-INIZCTEOSA-N 2 2 338.415 2.213 10 0 EEAELP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195293774 256010153 /nfs/dbraw/zinc/01/01/53/256010153.db2.gz PWESOEYTEIERJF-PKOBYXMFSA-N 2 2 346.519 2.386 10 0 EEAELP CC(C)CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195293774 256010156 /nfs/dbraw/zinc/01/01/56/256010156.db2.gz PWESOEYTEIERJF-PKOBYXMFSA-N 2 2 346.519 2.386 10 0 EEAELP CC(C)CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195293774 256010159 /nfs/dbraw/zinc/01/01/59/256010159.db2.gz PWESOEYTEIERJF-PKOBYXMFSA-N 2 2 346.519 2.386 10 0 EEAELP CC(C)CCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195293774 256010162 /nfs/dbraw/zinc/01/01/62/256010162.db2.gz PWESOEYTEIERJF-PKOBYXMFSA-N 2 2 346.519 2.386 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091633717 292221918 /nfs/dbraw/zinc/22/19/18/292221918.db2.gz DNTGTVCZXGICEF-SJORKVTESA-N 2 2 335.467 2.225 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262093859 286293903 /nfs/dbraw/zinc/29/39/03/286293903.db2.gz UZNWTPDAZMCHSN-APWZRJJASA-N 2 2 331.460 2.406 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@@]1(C)CC[NH2+]C1 ZINC000262093859 286293905 /nfs/dbraw/zinc/29/39/05/286293905.db2.gz UZNWTPDAZMCHSN-APWZRJJASA-N 2 2 331.460 2.406 10 0 EEAELP COCc1cccc(CNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374210845 154005220 /nfs/dbraw/zinc/00/52/20/154005220.db2.gz HWBBEQNXYMJAJB-UHFFFAOYSA-N 2 2 342.443 2.052 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCN(c3ccccc3OC)C2=O)[C@H](C)C1 ZINC000248771900 160360376 /nfs/dbraw/zinc/36/03/76/160360376.db2.gz SXGLICAHUUJLMD-RYRKJORJSA-N 2 2 345.487 2.463 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCN(c3ccccc3OC)C2=O)[C@H](C)C1 ZINC000248771900 160360377 /nfs/dbraw/zinc/36/03/77/160360377.db2.gz SXGLICAHUUJLMD-RYRKJORJSA-N 2 2 345.487 2.463 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccccc3OC)C2=O)[C@H](C)C1 ZINC000248771900 160360379 /nfs/dbraw/zinc/36/03/79/160360379.db2.gz SXGLICAHUUJLMD-RYRKJORJSA-N 2 2 345.487 2.463 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccccc3OC)C2=O)[C@H](C)C1 ZINC000248771900 160360381 /nfs/dbraw/zinc/36/03/81/160360381.db2.gz SXGLICAHUUJLMD-RYRKJORJSA-N 2 2 345.487 2.463 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](C/C=C/c2ccccc2OC)CC1 ZINC000093045816 159229618 /nfs/dbraw/zinc/22/96/18/159229618.db2.gz RQKJJWFZKDHVTQ-CSKARUKUSA-N 2 2 345.487 2.194 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(C3CCCCC3)n[nH]2)CC1 ZINC000120416804 159391685 /nfs/dbraw/zinc/39/16/85/159391685.db2.gz ZQNCHOXBEOVBGI-UHFFFAOYSA-N 2 2 347.507 2.213 10 0 EEAELP Cc1ccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc1 ZINC000184254690 160005541 /nfs/dbraw/zinc/00/55/41/160005541.db2.gz MEWCBXHXFBXYQF-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@@H+]3Cc4ccccc4C4(CC4)C3)cn2)CC1 ZINC000187678116 160107242 /nfs/dbraw/zinc/10/72/42/160107242.db2.gz XNFZFKJCIONKIS-UHFFFAOYSA-N 2 2 349.482 2.276 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@H+]3Cc4ccccc4C4(CC4)C3)cn2)CC1 ZINC000187678116 160107245 /nfs/dbraw/zinc/10/72/45/160107245.db2.gz XNFZFKJCIONKIS-UHFFFAOYSA-N 2 2 349.482 2.276 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601767 160183828 /nfs/dbraw/zinc/18/38/28/160183828.db2.gz IEOBXFQUHBZJRE-OHQAAIJDSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601767 160183829 /nfs/dbraw/zinc/18/38/29/160183829.db2.gz IEOBXFQUHBZJRE-OHQAAIJDSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193601767 160183831 /nfs/dbraw/zinc/18/38/31/160183831.db2.gz IEOBXFQUHBZJRE-OHQAAIJDSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193601767 160183833 /nfs/dbraw/zinc/18/38/33/160183833.db2.gz IEOBXFQUHBZJRE-OHQAAIJDSA-N 2 2 329.488 2.308 10 0 EEAELP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000246887202 160299321 /nfs/dbraw/zinc/29/93/21/160299321.db2.gz LYMMXPOMIXBCIW-DOTOQJQBSA-N 2 2 341.459 2.003 10 0 EEAELP C[N@H+]1CCC[C@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000246887202 160299322 /nfs/dbraw/zinc/29/93/22/160299322.db2.gz LYMMXPOMIXBCIW-DOTOQJQBSA-N 2 2 341.459 2.003 10 0 EEAELP C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342607924 161077491 /nfs/dbraw/zinc/07/74/91/161077491.db2.gz RWNKUGWUCQLFQN-DOTOQJQBSA-N 2 2 348.491 2.301 10 0 EEAELP Cn1cc[nH+]c1CN1CC[NH+](CCCCC(=O)OC(C)(C)C)CC1 ZINC000343521053 161143122 /nfs/dbraw/zinc/14/31/22/161143122.db2.gz FVBGBNLQHMMUGR-UHFFFAOYSA-N 2 2 336.480 2.050 10 0 EEAELP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@H+](CCOC)C3)cc2)n1 ZINC000344114187 161199552 /nfs/dbraw/zinc/19/95/52/161199552.db2.gz MUBIMMUVAVWRRW-KRWDZBQOSA-N 2 2 344.459 2.152 10 0 EEAELP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](CCOC)C3)cc2)n1 ZINC000344114187 161199553 /nfs/dbraw/zinc/19/95/53/161199553.db2.gz MUBIMMUVAVWRRW-KRWDZBQOSA-N 2 2 344.459 2.152 10 0 EEAELP COC(=O)[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344687179 161235945 /nfs/dbraw/zinc/23/59/45/161235945.db2.gz JJYJGQASVVTXFX-CHWSQXEVSA-N 2 2 344.415 2.145 10 0 EEAELP COC(=O)[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344687179 161235946 /nfs/dbraw/zinc/23/59/46/161235946.db2.gz JJYJGQASVVTXFX-CHWSQXEVSA-N 2 2 344.415 2.145 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367847029 166010512 /nfs/dbraw/zinc/01/05/12/166010512.db2.gz OGJPMIBYNNNCAY-PKOBYXMFSA-N 2 2 331.460 2.440 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367847029 166010514 /nfs/dbraw/zinc/01/05/14/166010514.db2.gz OGJPMIBYNNNCAY-PKOBYXMFSA-N 2 2 331.460 2.440 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367847029 166010516 /nfs/dbraw/zinc/01/05/16/166010516.db2.gz OGJPMIBYNNNCAY-PKOBYXMFSA-N 2 2 331.460 2.440 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367847029 166010518 /nfs/dbraw/zinc/01/05/18/166010518.db2.gz OGJPMIBYNNNCAY-PKOBYXMFSA-N 2 2 331.460 2.440 10 0 EEAELP COC(=O)CCn1nc(C)c(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1C ZINC000366281970 165708787 /nfs/dbraw/zinc/70/87/87/165708787.db2.gz KGMROHNAKUXRNQ-UHFFFAOYSA-N 2 2 348.491 2.170 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)c1ccnc(-n2cc[nH+]c2)c1 ZINC000376600125 167357923 /nfs/dbraw/zinc/35/79/23/167357923.db2.gz OJKKZPGBVTYBMU-UHFFFAOYSA-N 2 2 325.416 2.014 10 0 EEAELP C[C@H]1CC[N@H+](Cc2c(Br)cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000278441532 269232101 /nfs/dbraw/zinc/23/21/01/269232101.db2.gz LSNCRYBRPWQRMI-AAEUAGOBSA-N 2 2 338.253 2.462 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2c(Br)cnn2C)C[C@@H]1n1cc[nH+]c1 ZINC000278441532 269232102 /nfs/dbraw/zinc/23/21/02/269232102.db2.gz LSNCRYBRPWQRMI-AAEUAGOBSA-N 2 2 338.253 2.462 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914349 274040234 /nfs/dbraw/zinc/04/02/34/274040234.db2.gz RJBSEXPKSFNOMF-YJBOKZPZSA-N 2 2 345.443 2.079 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411994125 277090462 /nfs/dbraw/zinc/09/04/62/277090462.db2.gz YVKSNGYHFHKNNN-SFHVURJKSA-N 2 2 327.472 2.030 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411994125 277090463 /nfs/dbraw/zinc/09/04/63/277090463.db2.gz YVKSNGYHFHKNNN-SFHVURJKSA-N 2 2 327.472 2.030 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000245617834 277167107 /nfs/dbraw/zinc/16/71/07/277167107.db2.gz MMWQETGDOZLOLL-JKSUJKDBSA-N 2 2 347.850 2.281 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000245617834 277167109 /nfs/dbraw/zinc/16/71/09/277167109.db2.gz MMWQETGDOZLOLL-JKSUJKDBSA-N 2 2 347.850 2.281 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000354876457 278299398 /nfs/dbraw/zinc/29/93/98/278299398.db2.gz DHBJKOYNTZCSIG-UHFFFAOYSA-N 2 2 349.519 2.036 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)C2([NH+]3CCOCC3)CCC2)CC1 ZINC000354876457 278299400 /nfs/dbraw/zinc/29/94/00/278299400.db2.gz DHBJKOYNTZCSIG-UHFFFAOYSA-N 2 2 349.519 2.036 10 0 EEAELP CC[C@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CCN1CC(F)F ZINC000420368983 288289734 /nfs/dbraw/zinc/28/97/34/288289734.db2.gz XGIRSLQJAHNXMO-CVEARBPZSA-N 2 2 341.446 2.399 10 0 EEAELP CC[C@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CCN1CC(F)F ZINC000420368983 288289735 /nfs/dbraw/zinc/28/97/35/288289735.db2.gz XGIRSLQJAHNXMO-CVEARBPZSA-N 2 2 341.446 2.399 10 0 EEAELP CC[C@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CCN1CC(F)F ZINC000420368989 288290434 /nfs/dbraw/zinc/29/04/34/288290434.db2.gz XGIRSLQJAHNXMO-HOTGVXAUSA-N 2 2 341.446 2.399 10 0 EEAELP CC[C@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CCN1CC(F)F ZINC000420368989 288290436 /nfs/dbraw/zinc/29/04/36/288290436.db2.gz XGIRSLQJAHNXMO-HOTGVXAUSA-N 2 2 341.446 2.399 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc3cnccc3c2)CC1 ZINC000297072719 294144189 /nfs/dbraw/zinc/14/41/89/294144189.db2.gz XYBAPHKPXDMCGP-UHFFFAOYSA-N 2 2 341.459 2.382 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCc1noc(CCc2c[nH+]cn2C)n1 ZINC000350212310 312318363 /nfs/dbraw/zinc/31/83/63/312318363.db2.gz OBHSEVITHLZCSV-UHFFFAOYSA-N 2 2 336.399 2.489 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000416988024 313384789 /nfs/dbraw/zinc/38/47/89/313384789.db2.gz NHDMGWKHTFHXEN-HOCLYGCPSA-N 2 2 331.464 2.093 10 0 EEAELP Cc1cc(C)cc(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000434431899 314838206 /nfs/dbraw/zinc/83/82/06/314838206.db2.gz GXBCDRJLSLDTAR-UHFFFAOYSA-N 2 2 346.519 2.471 10 0 EEAELP O=C(C[N@@H+]1CCCC12CCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444775691 315324236 /nfs/dbraw/zinc/32/42/36/315324236.db2.gz AVWFBHYDIIRCDN-UHFFFAOYSA-N 2 2 333.501 2.411 10 0 EEAELP O=C(C[N@H+]1CCCC12CCC2)N1CC[NH+](Cc2ccsc2)CC1 ZINC000444775691 315324237 /nfs/dbraw/zinc/32/42/37/315324237.db2.gz AVWFBHYDIIRCDN-UHFFFAOYSA-N 2 2 333.501 2.411 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000541534697 318102340 /nfs/dbraw/zinc/10/23/40/318102340.db2.gz BSLYXLUMRFNNNY-UHFFFAOYSA-N 2 2 341.459 2.407 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000541534697 318102342 /nfs/dbraw/zinc/10/23/42/318102342.db2.gz BSLYXLUMRFNNNY-UHFFFAOYSA-N 2 2 341.459 2.407 10 0 EEAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1 ZINC000542159344 318122661 /nfs/dbraw/zinc/12/26/61/318122661.db2.gz BVYOQXFDBIOYJZ-BBRMVZONSA-N 2 2 330.407 2.401 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1 ZINC000542159349 318122940 /nfs/dbraw/zinc/12/29/40/318122940.db2.gz BVYOQXFDBIOYJZ-XJKSGUPXSA-N 2 2 330.407 2.401 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000544818700 318198222 /nfs/dbraw/zinc/19/82/22/318198222.db2.gz QFHBJVKFFXWBPA-GJZGRUSLSA-N 2 2 327.432 2.260 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000563861310 319049496 /nfs/dbraw/zinc/04/94/96/319049496.db2.gz DQLSYWIRHHTNGX-VQIMIIECSA-N 2 2 333.451 2.110 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000563861310 319049497 /nfs/dbraw/zinc/04/94/97/319049497.db2.gz DQLSYWIRHHTNGX-VQIMIIECSA-N 2 2 333.451 2.110 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCc4ccccc4[C@H]3C[NH3+])[nH+]c12 ZINC000570048411 319632161 /nfs/dbraw/zinc/63/21/61/319632161.db2.gz TURHMIZPQDUCJV-GOSISDBHSA-N 2 2 334.423 2.270 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)CC(F)(F)C[NH3+])c1ccc(Cl)cc1 ZINC000575324959 320101066 /nfs/dbraw/zinc/10/10/66/320101066.db2.gz DPFAKQOCVMQVIF-ZDUSSCGKSA-N 2 2 342.777 2.263 10 0 EEAELP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000579105216 323778924 /nfs/dbraw/zinc/77/89/24/323778924.db2.gz BCFICCJBGSMALM-ZDUSSCGKSA-N 2 2 326.322 2.070 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580462234 324068980 /nfs/dbraw/zinc/06/89/80/324068980.db2.gz ULFQMHBCJCBJGQ-NVXWUHKLSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580462234 324068984 /nfs/dbraw/zinc/06/89/84/324068984.db2.gz ULFQMHBCJCBJGQ-NVXWUHKLSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580462234 324068985 /nfs/dbraw/zinc/06/89/85/324068985.db2.gz ULFQMHBCJCBJGQ-NVXWUHKLSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580462234 324068988 /nfs/dbraw/zinc/06/89/88/324068988.db2.gz ULFQMHBCJCBJGQ-NVXWUHKLSA-N 2 2 326.868 2.068 10 0 EEAELP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000580999655 324166403 /nfs/dbraw/zinc/16/64/03/324166403.db2.gz WYBHLDMIDGZYEI-OLZOCXBDSA-N 2 2 337.493 2.330 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C1 ZINC000582070910 324373783 /nfs/dbraw/zinc/37/37/83/324373783.db2.gz BFPMVBSDAOZBMF-GUYCJALGSA-N 2 2 330.407 2.107 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C1 ZINC000582070910 324373789 /nfs/dbraw/zinc/37/37/89/324373789.db2.gz BFPMVBSDAOZBMF-GUYCJALGSA-N 2 2 330.407 2.107 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1C ZINC000582916205 324556367 /nfs/dbraw/zinc/55/63/67/324556367.db2.gz SZLHUKOFXOOSKT-WBVHZDCISA-N 2 2 332.835 2.444 10 0 EEAELP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1[nH+]ccc2cc(F)ccc21 ZINC000528132407 448440490 /nfs/dbraw/zinc/44/04/90/448440490.db2.gz RIXVDISXEVSIAJ-LJQANCHMSA-N 2 2 345.418 2.402 10 0 EEAELP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1[nH+]ccc2cc(F)ccc21 ZINC000528132407 448440495 /nfs/dbraw/zinc/44/04/95/448440495.db2.gz RIXVDISXEVSIAJ-LJQANCHMSA-N 2 2 345.418 2.402 10 0 EEAELP C[NH+](C)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1ccsc1 ZINC000542766138 448719512 /nfs/dbraw/zinc/71/95/12/448719512.db2.gz GRHKMTCTNOUKOF-AWEZNQCLSA-N 2 2 333.461 2.090 10 0 EEAELP OCCNc1nc(N2CCC[C@H](n3cc[nH+]c3)C2)[nH+]c2ccccc21 ZINC000608082917 449744914 /nfs/dbraw/zinc/74/49/14/449744914.db2.gz QAONWZKQWMMAFI-AWEZNQCLSA-N 2 2 338.415 2.072 10 0 EEAELP C[C@H](CCNC(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCCCC1 ZINC000184832764 465028481 /nfs/dbraw/zinc/02/84/81/465028481.db2.gz MGOPGOPUMDKRJV-OAHLLOKOSA-N 2 2 333.480 2.211 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)CS(C)(=O)=O ZINC000336860581 465056185 /nfs/dbraw/zinc/05/61/85/465056185.db2.gz SHGKALVATBWIFF-IKGGRYGDSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)CS(C)(=O)=O ZINC000336860581 465056189 /nfs/dbraw/zinc/05/61/89/465056189.db2.gz SHGKALVATBWIFF-IKGGRYGDSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)CS(C)(=O)=O ZINC000336860581 465056196 /nfs/dbraw/zinc/05/61/96/465056196.db2.gz SHGKALVATBWIFF-IKGGRYGDSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)CS(C)(=O)=O ZINC000336860581 465056201 /nfs/dbraw/zinc/05/62/01/465056201.db2.gz SHGKALVATBWIFF-IKGGRYGDSA-N 2 2 330.538 2.254 10 0 EEAELP Cc1ccc(CCC[NH2+]Cc2cccc(N3CCOCC3)n2)c[nH+]1 ZINC000354648527 465074205 /nfs/dbraw/zinc/07/42/05/465074205.db2.gz MHZLMFBRAKSAGP-UHFFFAOYSA-N 2 2 326.444 2.344 10 0 EEAELP CCC1(CC)[C@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[C@@H]1OC ZINC000341332818 465116876 /nfs/dbraw/zinc/11/68/76/465116876.db2.gz WWTJLIMCLFKTRB-OAGGEKHMSA-N 2 2 348.491 2.094 10 0 EEAELP Cc1ncc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000339280179 465186380 /nfs/dbraw/zinc/18/63/80/465186380.db2.gz GNQIUMKRTBDXKI-UHFFFAOYSA-N 2 2 325.460 2.087 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000128315591 462627230 /nfs/dbraw/zinc/62/72/30/462627230.db2.gz JGYVJCLJXQAZJM-GDBMZVCRSA-N 2 2 333.480 2.019 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000128315591 462627235 /nfs/dbraw/zinc/62/72/35/462627235.db2.gz JGYVJCLJXQAZJM-GDBMZVCRSA-N 2 2 333.480 2.019 10 0 EEAELP CC[N@@H+](Cc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)cc1)C(C)C ZINC000552183153 468315687 /nfs/dbraw/zinc/31/56/87/468315687.db2.gz AFMUTIAGXAQGGB-UHFFFAOYSA-N 2 2 341.459 2.528 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CCOCC3)s2)[C@H](C)C1 ZINC000130478094 462758526 /nfs/dbraw/zinc/75/85/26/462758526.db2.gz MCFZSTVUCWKVAT-ZBFHGGJFSA-N 2 2 338.521 2.142 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CCOCC3)s2)[C@H](C)C1 ZINC000130478094 462758531 /nfs/dbraw/zinc/75/85/31/462758531.db2.gz MCFZSTVUCWKVAT-ZBFHGGJFSA-N 2 2 338.521 2.142 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N3CCOCC3)s2)[C@H](C)C1 ZINC000130478094 462758535 /nfs/dbraw/zinc/75/85/35/462758535.db2.gz MCFZSTVUCWKVAT-ZBFHGGJFSA-N 2 2 338.521 2.142 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N3CCOCC3)s2)[C@H](C)C1 ZINC000130478094 462758539 /nfs/dbraw/zinc/75/85/39/462758539.db2.gz MCFZSTVUCWKVAT-ZBFHGGJFSA-N 2 2 338.521 2.142 10 0 EEAELP COc1c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(C)nn1C ZINC000065475083 462777193 /nfs/dbraw/zinc/77/71/93/462777193.db2.gz CAUKJAXKVWSKOW-UHFFFAOYSA-N 2 2 329.379 2.352 10 0 EEAELP CC[N@H+](Cc1ccc(C(=O)NCc2c[nH+]c(C)nc2N)cc1)C(C)C ZINC000552183153 468315682 /nfs/dbraw/zinc/31/56/82/468315682.db2.gz AFMUTIAGXAQGGB-UHFFFAOYSA-N 2 2 341.459 2.528 10 0 EEAELP CC[C@@H](SC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000132780100 462878825 /nfs/dbraw/zinc/87/88/25/462878825.db2.gz AKODJFMYQIOQIV-OAHLLOKOSA-N 2 2 327.538 2.195 10 0 EEAELP CN(C)c1nc(N2CCN(c3cc[nH+]c4ccsc43)CC2)cc[nH+]1 ZINC000078297056 463100716 /nfs/dbraw/zinc/10/07/16/463100716.db2.gz INMPXDBGFCECOK-UHFFFAOYSA-N 2 2 340.456 2.479 10 0 EEAELP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000157301304 463117457 /nfs/dbraw/zinc/11/74/57/463117457.db2.gz AEQVGJKJNYSEMQ-RDJZCZTQSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000157301304 463117461 /nfs/dbraw/zinc/11/74/61/463117461.db2.gz AEQVGJKJNYSEMQ-RDJZCZTQSA-N 2 2 325.403 2.166 10 0 EEAELP Cc1csc(NC(=O)C2CC[NH+](CCCn3cc[nH+]c3)CC2)n1 ZINC000095987324 463129415 /nfs/dbraw/zinc/12/94/15/463129415.db2.gz DWQIEXWGSPWQDT-UHFFFAOYSA-N 2 2 333.461 2.389 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000079462302 463217683 /nfs/dbraw/zinc/21/76/83/463217683.db2.gz JWQTUPWBYGTDPL-VQIMIIECSA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000079462302 463217686 /nfs/dbraw/zinc/21/76/86/463217686.db2.gz JWQTUPWBYGTDPL-VQIMIIECSA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000079462302 463217691 /nfs/dbraw/zinc/21/76/91/463217691.db2.gz JWQTUPWBYGTDPL-VQIMIIECSA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000079462302 463217695 /nfs/dbraw/zinc/21/76/95/463217695.db2.gz JWQTUPWBYGTDPL-VQIMIIECSA-N 2 2 347.503 2.364 10 0 EEAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123672197 463360363 /nfs/dbraw/zinc/36/03/63/463360363.db2.gz QGBGKKMJERVLRV-BRWVUGGUSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123672197 463360372 /nfs/dbraw/zinc/36/03/72/463360372.db2.gz QGBGKKMJERVLRV-BRWVUGGUSA-N 2 2 332.492 2.370 10 0 EEAELP CN(C(=O)Cc1ccon1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124637020 463446012 /nfs/dbraw/zinc/44/60/12/463446012.db2.gz FEZUSUDBSYCAEU-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP CN(C(=O)Cc1ccon1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124637020 463446015 /nfs/dbraw/zinc/44/60/15/463446015.db2.gz FEZUSUDBSYCAEU-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151309 463485640 /nfs/dbraw/zinc/48/56/40/463485640.db2.gz FHKHYSKGDIDODY-LEWJYISDSA-N 3 2 345.531 2.430 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151309 463485641 /nfs/dbraw/zinc/48/56/41/463485641.db2.gz FHKHYSKGDIDODY-LEWJYISDSA-N 3 2 345.531 2.430 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151309 463485642 /nfs/dbraw/zinc/48/56/42/463485642.db2.gz FHKHYSKGDIDODY-LEWJYISDSA-N 3 2 345.531 2.430 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151151309 463485645 /nfs/dbraw/zinc/48/56/45/463485645.db2.gz FHKHYSKGDIDODY-LEWJYISDSA-N 3 2 345.531 2.430 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151243547 463499029 /nfs/dbraw/zinc/49/90/29/463499029.db2.gz SOTDDQGCDNPAAH-GOSISDBHSA-N 2 2 338.455 2.358 10 0 EEAELP Cc1cc(C)n(C[C@@H]2C[N@H+](CCCCn3cc[nH+]c3C)CCO2)n1 ZINC000162976831 463554019 /nfs/dbraw/zinc/55/40/19/463554019.db2.gz DIMKCDPVQSXLJS-SFHVURJKSA-N 2 2 331.464 2.186 10 0 EEAELP Cc1cc(C)n(C[C@@H]2C[N@@H+](CCCCn3cc[nH+]c3C)CCO2)n1 ZINC000162976831 463554022 /nfs/dbraw/zinc/55/40/22/463554022.db2.gz DIMKCDPVQSXLJS-SFHVURJKSA-N 2 2 331.464 2.186 10 0 EEAELP CCCCc1[nH]c2ccc(NC(=O)CN3CC[NH+](CC)CC3)cc2[nH+]1 ZINC000073103325 463583626 /nfs/dbraw/zinc/58/36/26/463583626.db2.gz ACXFXQRBJSKDIH-UHFFFAOYSA-N 2 2 343.475 2.482 10 0 EEAELP O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000177532535 463728625 /nfs/dbraw/zinc/72/86/25/463728625.db2.gz ARCOVYQHWWRYJC-IRXDYDNUSA-N 2 2 331.460 2.046 10 0 EEAELP O=C(CC[NH+]1C[C@H]2CCCC[C@@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000177549568 463734442 /nfs/dbraw/zinc/73/44/42/463734442.db2.gz DTHXBNNVVKXIIK-QZTJIDSGSA-N 2 2 342.487 2.242 10 0 EEAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261922819 463901431 /nfs/dbraw/zinc/90/14/31/463901431.db2.gz KQCPTGHWVQFCKZ-CVEARBPZSA-N 3 2 334.533 2.429 10 0 EEAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261922819 463901436 /nfs/dbraw/zinc/90/14/36/463901436.db2.gz KQCPTGHWVQFCKZ-CVEARBPZSA-N 3 2 334.533 2.429 10 0 EEAELP COc1cccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)[NH+](C)C)c1 ZINC000262042339 463932306 /nfs/dbraw/zinc/93/23/06/463932306.db2.gz YRLNNKCDCSFVCT-WTGUMLROSA-N 2 2 347.503 2.045 10 0 EEAELP Cn1c2ccccc2[nH+]c1N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000178811906 463980789 /nfs/dbraw/zinc/98/07/89/463980789.db2.gz VTLUZJCPYNRCJA-MRXNPFEDSA-N 2 2 327.476 2.180 10 0 EEAELP Cn1c2ccccc2[nH+]c1N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000178811906 463980792 /nfs/dbraw/zinc/98/07/92/463980792.db2.gz VTLUZJCPYNRCJA-MRXNPFEDSA-N 2 2 327.476 2.180 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000195283002 464031560 /nfs/dbraw/zinc/03/15/60/464031560.db2.gz CZHGILNXXIRRDY-RTBURBONSA-N 2 2 333.476 2.379 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000195283002 464031565 /nfs/dbraw/zinc/03/15/65/464031565.db2.gz CZHGILNXXIRRDY-RTBURBONSA-N 2 2 333.476 2.379 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000195283002 464031570 /nfs/dbraw/zinc/03/15/70/464031570.db2.gz CZHGILNXXIRRDY-RTBURBONSA-N 2 2 333.476 2.379 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000195283002 464031574 /nfs/dbraw/zinc/03/15/74/464031574.db2.gz CZHGILNXXIRRDY-RTBURBONSA-N 2 2 333.476 2.379 10 0 EEAELP C[C@@H]1COC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000172667120 464128208 /nfs/dbraw/zinc/12/82/08/464128208.db2.gz NQTAQAZAMUEYHH-CALCHBBNSA-N 2 2 345.487 2.008 10 0 EEAELP C[C@@H]1COC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000172667120 464128213 /nfs/dbraw/zinc/12/82/13/464128213.db2.gz NQTAQAZAMUEYHH-CALCHBBNSA-N 2 2 345.487 2.008 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000226047827 464182785 /nfs/dbraw/zinc/18/27/85/464182785.db2.gz HTFSPTXXWUIAEM-NWDGAFQWSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000226047827 464182790 /nfs/dbraw/zinc/18/27/90/464182790.db2.gz HTFSPTXXWUIAEM-NWDGAFQWSA-N 2 2 333.259 2.417 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1O ZINC000180077754 464236624 /nfs/dbraw/zinc/23/66/24/464236624.db2.gz JIVZXDNBENLYJF-KRWDZBQOSA-N 2 2 333.476 2.003 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1O ZINC000180077754 464236632 /nfs/dbraw/zinc/23/66/32/464236632.db2.gz JIVZXDNBENLYJF-KRWDZBQOSA-N 2 2 333.476 2.003 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000174774714 464450244 /nfs/dbraw/zinc/45/02/44/464450244.db2.gz CIJJKXMNOOQEQI-DYVFJYSZSA-N 2 2 339.430 2.243 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000174774714 464450252 /nfs/dbraw/zinc/45/02/52/464450252.db2.gz CIJJKXMNOOQEQI-DYVFJYSZSA-N 2 2 339.430 2.243 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000174774714 464450256 /nfs/dbraw/zinc/45/02/56/464450256.db2.gz CIJJKXMNOOQEQI-DYVFJYSZSA-N 2 2 339.430 2.243 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000174774714 464450260 /nfs/dbraw/zinc/45/02/60/464450260.db2.gz CIJJKXMNOOQEQI-DYVFJYSZSA-N 2 2 339.430 2.243 10 0 EEAELP Cc1nc(N2CC[NH+](C[C@@H](O)c3cc4ccccc4o3)CC2)cc[nH+]1 ZINC000294603906 464549794 /nfs/dbraw/zinc/54/97/94/464549794.db2.gz NUWGKNAEJKOTSY-MRXNPFEDSA-N 2 2 338.411 2.387 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246222351 464560374 /nfs/dbraw/zinc/56/03/74/464560374.db2.gz RAYXMBRRJATYKB-MSOLQXFVSA-N 2 2 347.528 2.377 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246222351 464560379 /nfs/dbraw/zinc/56/03/79/464560379.db2.gz RAYXMBRRJATYKB-MSOLQXFVSA-N 2 2 347.528 2.377 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC/C=C/c2ccccc2)CC1 ZINC000175760020 464618750 /nfs/dbraw/zinc/61/87/50/464618750.db2.gz HLBZWNWOTKYZEN-RMKNXTFCSA-N 2 2 330.476 2.025 10 0 EEAELP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248661575 464782968 /nfs/dbraw/zinc/78/29/68/464782968.db2.gz XIOHEJQMLIJUOW-HIFRSBDPSA-N 2 2 338.521 2.120 10 0 EEAELP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248661575 464782969 /nfs/dbraw/zinc/78/29/69/464782969.db2.gz XIOHEJQMLIJUOW-HIFRSBDPSA-N 2 2 338.521 2.120 10 0 EEAELP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248661575 464782972 /nfs/dbraw/zinc/78/29/72/464782972.db2.gz XIOHEJQMLIJUOW-HIFRSBDPSA-N 2 2 338.521 2.120 10 0 EEAELP CC[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248661575 464782974 /nfs/dbraw/zinc/78/29/74/464782974.db2.gz XIOHEJQMLIJUOW-HIFRSBDPSA-N 2 2 338.521 2.120 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC000248791556 464802359 /nfs/dbraw/zinc/80/23/59/464802359.db2.gz XTBNRTDMBATDLM-ZOBUZTSGSA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC000248791556 464802361 /nfs/dbraw/zinc/80/23/61/464802361.db2.gz XTBNRTDMBATDLM-ZOBUZTSGSA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000248791556 464802365 /nfs/dbraw/zinc/80/23/65/464802365.db2.gz XTBNRTDMBATDLM-ZOBUZTSGSA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC000248791556 464802370 /nfs/dbraw/zinc/80/23/70/464802370.db2.gz XTBNRTDMBATDLM-ZOBUZTSGSA-N 2 2 331.460 2.215 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000266840885 464841816 /nfs/dbraw/zinc/84/18/16/464841816.db2.gz VGWTXSFUQMPTSY-UHFFFAOYSA-N 2 2 348.491 2.229 10 0 EEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000184283858 464960084 /nfs/dbraw/zinc/96/00/84/464960084.db2.gz QFFSJSFGWHXYQX-GOSISDBHSA-N 2 2 349.475 2.066 10 0 EEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000184283858 464960089 /nfs/dbraw/zinc/96/00/89/464960089.db2.gz QFFSJSFGWHXYQX-GOSISDBHSA-N 2 2 349.475 2.066 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]CC2CCC(OC)CC2)CC1 ZINC000360956196 465660661 /nfs/dbraw/zinc/66/06/61/465660661.db2.gz TYOIESBNGDUSIP-UHFFFAOYSA-N 2 2 326.481 2.199 10 0 EEAELP CC[C@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000362406743 465712697 /nfs/dbraw/zinc/71/26/97/465712697.db2.gz UYDDFXYUZVGAQA-IRXDYDNUSA-N 2 2 337.508 2.011 10 0 EEAELP CC(C)c1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ncn1 ZINC000361287147 465887106 /nfs/dbraw/zinc/88/71/06/465887106.db2.gz JYQDSKSRJZHXHQ-UHFFFAOYSA-N 2 2 331.508 2.962 10 0 EEAELP CN(C)c1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000362633908 465897999 /nfs/dbraw/zinc/89/79/99/465897999.db2.gz BXIJHPOPOZZHAX-GOEBONIOSA-N 2 2 333.386 2.678 10 0 EEAELP CN(C)c1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000362633908 465898009 /nfs/dbraw/zinc/89/80/09/465898009.db2.gz BXIJHPOPOZZHAX-GOEBONIOSA-N 2 2 333.386 2.678 10 0 EEAELP CNC(=O)N1CC[NH+](CCCCCn2c(C)[nH+]c3ccccc32)CC1 ZINC000361326375 465911477 /nfs/dbraw/zinc/91/14/77/465911477.db2.gz YJGFEOKROVMALR-UHFFFAOYSA-N 2 2 343.475 2.472 10 0 EEAELP O=C1NCCCN1C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346212439 465996731 /nfs/dbraw/zinc/99/67/31/465996731.db2.gz XHKMYQKHCDBHBP-UHFFFAOYSA-N 2 2 345.472 2.314 10 0 EEAELP Cc1coc(C)c1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000366934687 466024492 /nfs/dbraw/zinc/02/44/92/466024492.db2.gz QVFJDHXHGBYCIR-SJPCQFCGSA-N 2 2 331.460 2.279 10 0 EEAELP Cc1coc(C)c1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000366934687 466024508 /nfs/dbraw/zinc/02/45/08/466024508.db2.gz QVFJDHXHGBYCIR-SJPCQFCGSA-N 2 2 331.460 2.279 10 0 EEAELP c1nc(N2CCC(C[NH+]3CCCC3)CC2)cc(N2CCSCC2)[nH+]1 ZINC000302795322 466188014 /nfs/dbraw/zinc/18/80/14/466188014.db2.gz OMXBKJOVMLXMCY-UHFFFAOYSA-N 2 2 347.532 2.342 10 0 EEAELP c1nc(N2CCSCC2)cc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]1 ZINC000302795322 466188021 /nfs/dbraw/zinc/18/80/21/466188021.db2.gz OMXBKJOVMLXMCY-UHFFFAOYSA-N 2 2 347.532 2.342 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H](C)[C@@H]2C)CC1 ZINC000361675145 466196097 /nfs/dbraw/zinc/19/60/97/466196097.db2.gz KGEROTRJCCDQTR-KSZLIROESA-N 2 2 345.487 2.001 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H](C)[C@@H]2C)CC1 ZINC000361675145 466196108 /nfs/dbraw/zinc/19/61/08/466196108.db2.gz KGEROTRJCCDQTR-KSZLIROESA-N 2 2 345.487 2.001 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357828395 466243677 /nfs/dbraw/zinc/24/36/77/466243677.db2.gz JJHDZVJEDARHJV-GJZGRUSLSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357828395 466243680 /nfs/dbraw/zinc/24/36/80/466243680.db2.gz JJHDZVJEDARHJV-GJZGRUSLSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357828395 466243683 /nfs/dbraw/zinc/24/36/83/466243683.db2.gz JJHDZVJEDARHJV-GJZGRUSLSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357828395 466243684 /nfs/dbraw/zinc/24/36/84/466243684.db2.gz JJHDZVJEDARHJV-GJZGRUSLSA-N 2 2 333.480 2.221 10 0 EEAELP C[NH+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000361735894 466246159 /nfs/dbraw/zinc/24/61/59/466246159.db2.gz XBPQCIUNPRUNMM-MRXNPFEDSA-N 2 2 330.476 2.267 10 0 EEAELP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000358166986 466509219 /nfs/dbraw/zinc/50/92/19/466509219.db2.gz PMDKFEJDRQXBKH-QGZVFWFLSA-N 2 2 347.507 2.342 10 0 EEAELP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000358166986 466509227 /nfs/dbraw/zinc/50/92/27/466509227.db2.gz PMDKFEJDRQXBKH-QGZVFWFLSA-N 2 2 347.507 2.342 10 0 EEAELP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000341154205 466622176 /nfs/dbraw/zinc/62/21/76/466622176.db2.gz FAEGUKNIYQQNMI-LBPRGKRZSA-N 2 2 347.385 2.071 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000376280950 466902957 /nfs/dbraw/zinc/90/29/57/466902957.db2.gz JIKJKEZEINGLPM-ZNMIVQPWSA-N 2 2 333.480 2.083 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000376280950 466902959 /nfs/dbraw/zinc/90/29/59/466902959.db2.gz JIKJKEZEINGLPM-ZNMIVQPWSA-N 2 2 333.480 2.083 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376651339 466924091 /nfs/dbraw/zinc/92/40/91/466924091.db2.gz DZBCNLPADAYNAB-JKSUJKDBSA-N 2 2 333.480 2.307 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH2+]C(C)(C)CN1CCOCC1 ZINC000411997034 466963918 /nfs/dbraw/zinc/96/39/18/466963918.db2.gz FNTSVTCTHBXVIL-UHFFFAOYSA-N 2 2 328.460 2.381 10 0 EEAELP CC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945141 466997287 /nfs/dbraw/zinc/99/72/87/466997287.db2.gz QTELUPJWHXPARV-GJZGRUSLSA-N 2 2 342.846 2.133 10 0 EEAELP CC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945141 466997291 /nfs/dbraw/zinc/99/72/91/466997291.db2.gz QTELUPJWHXPARV-GJZGRUSLSA-N 2 2 342.846 2.133 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418052355 467035295 /nfs/dbraw/zinc/03/52/95/467035295.db2.gz VRXWMRSAOMCUMJ-CYBMUJFWSA-N 2 2 338.883 2.125 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000418052355 467035300 /nfs/dbraw/zinc/03/53/00/467035300.db2.gz VRXWMRSAOMCUMJ-CYBMUJFWSA-N 2 2 338.883 2.125 10 0 EEAELP C[C@H](C[NH3+])CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000418472670 467116008 /nfs/dbraw/zinc/11/60/08/467116008.db2.gz NQVZPORDILQSBE-KGLIPLIRSA-N 2 2 338.883 2.323 10 0 EEAELP c1cncc(C[NH2+]CCCNc2cc(N3CCSCC3)nc[nH+]2)c1 ZINC000420185319 467318442 /nfs/dbraw/zinc/31/84/42/467318442.db2.gz PDIWWSLOHLPCAP-UHFFFAOYSA-N 2 2 344.488 2.017 10 0 EEAELP c1cncc(C[NH2+]CCCNc2cc(N3CCSCC3)[nH+]cn2)c1 ZINC000420185319 467318445 /nfs/dbraw/zinc/31/84/45/467318445.db2.gz PDIWWSLOHLPCAP-UHFFFAOYSA-N 2 2 344.488 2.017 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452113821 467328037 /nfs/dbraw/zinc/32/80/37/467328037.db2.gz CTSIQPLCQJNSLZ-HUUCEWRRSA-N 2 2 342.443 2.498 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452113821 467328042 /nfs/dbraw/zinc/32/80/42/467328042.db2.gz CTSIQPLCQJNSLZ-HUUCEWRRSA-N 2 2 342.443 2.498 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378635972 467361781 /nfs/dbraw/zinc/36/17/81/467361781.db2.gz HYFOXJPOGNFXRZ-INIZCTEOSA-N 2 2 343.475 2.272 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378635972 467361785 /nfs/dbraw/zinc/36/17/85/467361785.db2.gz HYFOXJPOGNFXRZ-INIZCTEOSA-N 2 2 343.475 2.272 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420384552 467388787 /nfs/dbraw/zinc/38/87/87/467388787.db2.gz UFDCBUWUKOWHNB-HXUWFJFHSA-N 2 2 329.488 2.499 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420384552 467388791 /nfs/dbraw/zinc/38/87/91/467388791.db2.gz UFDCBUWUKOWHNB-HXUWFJFHSA-N 2 2 329.488 2.499 10 0 EEAELP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414947235 467456757 /nfs/dbraw/zinc/45/67/57/467456757.db2.gz VUHRPVGMVJUSOU-RHSMWYFYSA-N 2 2 342.443 2.137 10 0 EEAELP COc1c[nH+]ccc1N1CCN(c2[nH+]c3ccc(F)cc3n2C)CC1 ZINC000431413877 467515099 /nfs/dbraw/zinc/51/50/99/467515099.db2.gz JSJOUBKDQGXRAT-UHFFFAOYSA-N 2 2 341.390 2.443 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCC(C)(F)F)CC2)CC1 ZINC000454442230 467593303 /nfs/dbraw/zinc/59/33/03/467593303.db2.gz BRWJDTBBNMACRG-UHFFFAOYSA-N 2 2 346.466 2.280 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449119300 467619151 /nfs/dbraw/zinc/61/91/51/467619151.db2.gz XZMVSIOFBYRBMV-SFHVURJKSA-N 2 2 344.459 2.081 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449119300 467619152 /nfs/dbraw/zinc/61/91/52/467619152.db2.gz XZMVSIOFBYRBMV-SFHVURJKSA-N 2 2 344.459 2.081 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@]2(C)CCCCO2)([NH+]2CCCCC2)CC1 ZINC000457621615 467664870 /nfs/dbraw/zinc/66/48/70/467664870.db2.gz QJRYMXZABHAOPQ-GOSISDBHSA-N 2 2 337.508 2.012 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000457911947 467727872 /nfs/dbraw/zinc/72/78/72/467727872.db2.gz MROIRRJWZQXJTD-DOTOQJQBSA-N 2 2 343.475 2.436 10 0 EEAELP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450498092 467859626 /nfs/dbraw/zinc/85/96/26/467859626.db2.gz FGDHEDOQFCLEFG-SLFFLAALSA-N 2 2 330.472 2.313 10 0 EEAELP CC(=O)[C@](C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450498092 467859631 /nfs/dbraw/zinc/85/96/31/467859631.db2.gz FGDHEDOQFCLEFG-SLFFLAALSA-N 2 2 330.472 2.313 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450498092 467859633 /nfs/dbraw/zinc/85/96/33/467859633.db2.gz FGDHEDOQFCLEFG-SLFFLAALSA-N 2 2 330.472 2.313 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450498092 467859635 /nfs/dbraw/zinc/85/96/35/467859635.db2.gz FGDHEDOQFCLEFG-SLFFLAALSA-N 2 2 330.472 2.313 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000450623717 467881460 /nfs/dbraw/zinc/88/14/60/467881460.db2.gz NGVGKKUIAUIALZ-JQKXYWIWSA-N 3 2 348.579 2.492 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000450623717 467881462 /nfs/dbraw/zinc/88/14/62/467881462.db2.gz NGVGKKUIAUIALZ-JQKXYWIWSA-N 3 2 348.579 2.492 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450623717 467881463 /nfs/dbraw/zinc/88/14/63/467881463.db2.gz NGVGKKUIAUIALZ-JQKXYWIWSA-N 3 2 348.579 2.492 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450623717 467881465 /nfs/dbraw/zinc/88/14/65/467881465.db2.gz NGVGKKUIAUIALZ-JQKXYWIWSA-N 3 2 348.579 2.492 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000568044056 468263869 /nfs/dbraw/zinc/26/38/69/468263869.db2.gz QDBQGKJZQMBUBW-SJORKVTESA-N 2 2 347.507 2.259 10 0 EEAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000568044056 468263876 /nfs/dbraw/zinc/26/38/76/468263876.db2.gz QDBQGKJZQMBUBW-SJORKVTESA-N 2 2 347.507 2.259 10 0 EEAELP [NH3+]C1(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CCCCCC1 ZINC000569558978 468509696 /nfs/dbraw/zinc/50/96/96/468509696.db2.gz LXPCDSFCCDJOIK-MRXNPFEDSA-N 2 2 332.448 2.296 10 0 EEAELP C[C@@H]1CN(c2ccc(CNC(=O)CCCC[NH+](C)C)c[nH+]2)C[C@H](C)O1 ZINC000556935843 468600114 /nfs/dbraw/zinc/60/01/14/468600114.db2.gz FDSUUAOHWTXZDH-IYBDPMFKSA-N 2 2 348.491 2.043 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570824988 468699795 /nfs/dbraw/zinc/69/97/95/468699795.db2.gz RZGCGSYGCVGQTP-FUHWJXTLSA-N 2 2 329.488 2.355 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570824988 468699797 /nfs/dbraw/zinc/69/97/97/468699797.db2.gz RZGCGSYGCVGQTP-FUHWJXTLSA-N 2 2 329.488 2.355 10 0 EEAELP CN(C)c1[nH+]cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)n1C ZINC000558888445 468719496 /nfs/dbraw/zinc/71/94/96/468719496.db2.gz OLOFBOKWDQWLBD-UHFFFAOYSA-N 2 2 347.507 2.147 10 0 EEAELP C[C@@H](CSCCF)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000595099367 468758391 /nfs/dbraw/zinc/75/83/91/468758391.db2.gz LWSDZAVMXWEWEC-WMZOPIPTSA-N 2 2 339.524 2.483 10 0 EEAELP C[C@@H](CSCCF)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000595099367 468758395 /nfs/dbraw/zinc/75/83/95/468758395.db2.gz LWSDZAVMXWEWEC-WMZOPIPTSA-N 2 2 339.524 2.483 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cn1C ZINC000571246057 468759540 /nfs/dbraw/zinc/75/95/40/468759540.db2.gz GIDFMTZCRGJYMC-HNNXBMFYSA-N 2 2 342.443 2.334 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cn1C ZINC000571246057 468759546 /nfs/dbraw/zinc/75/95/46/468759546.db2.gz GIDFMTZCRGJYMC-HNNXBMFYSA-N 2 2 342.443 2.334 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC4(C3)CC[NH+](C)CC4)[nH+]c12 ZINC000614964552 469108713 /nfs/dbraw/zinc/10/87/13/469108713.db2.gz QWAVWGNEJSZXHB-UHFFFAOYSA-N 2 2 326.444 2.130 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588976681 469185001 /nfs/dbraw/zinc/18/50/01/469185001.db2.gz UJSYICPWXVZCEM-HUUCEWRRSA-N 2 2 333.480 2.139 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588976681 469185004 /nfs/dbraw/zinc/18/50/04/469185004.db2.gz UJSYICPWXVZCEM-HUUCEWRRSA-N 2 2 333.480 2.139 10 0 EEAELP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCc4c[nH+]cn4C3)cccc21 ZINC000563202715 469197695 /nfs/dbraw/zinc/19/76/95/469197695.db2.gz ALMWWOQRGIBHEF-SUMWQHHRSA-N 2 2 340.427 2.469 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1)C1CC1 ZINC000625998817 469463985 /nfs/dbraw/zinc/46/39/85/469463985.db2.gz YUESEAHOQWIXSC-KRWDZBQOSA-N 2 2 348.491 2.047 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1)C1CC1 ZINC000625998817 469463989 /nfs/dbraw/zinc/46/39/89/469463989.db2.gz YUESEAHOQWIXSC-KRWDZBQOSA-N 2 2 348.491 2.047 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000626018821 469471756 /nfs/dbraw/zinc/47/17/56/469471756.db2.gz ZIOXKFFPUMNXTR-GJZGRUSLSA-N 2 2 337.430 2.054 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000626018821 469471761 /nfs/dbraw/zinc/47/17/61/469471761.db2.gz ZIOXKFFPUMNXTR-GJZGRUSLSA-N 2 2 337.430 2.054 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000629388006 469528750 /nfs/dbraw/zinc/52/87/50/469528750.db2.gz LZYUVLUQQARLDQ-INIZCTEOSA-N 2 2 340.471 2.154 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000629388006 469528756 /nfs/dbraw/zinc/52/87/56/469528756.db2.gz LZYUVLUQQARLDQ-INIZCTEOSA-N 2 2 340.471 2.154 10 0 EEAELP COc1cc(Br)ccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629389492 469529443 /nfs/dbraw/zinc/52/94/43/469529443.db2.gz YUBSXEQUZCXGJV-UHFFFAOYSA-N 2 2 329.238 2.055 10 0 EEAELP Cn1cc[nH+]c1[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C(F)(F)F ZINC000617007179 469568432 /nfs/dbraw/zinc/56/84/32/469568432.db2.gz NITRUFWSKNJELK-NEPJUHHUSA-N 2 2 346.397 2.445 10 0 EEAELP Cn1cc[nH+]c1[C@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C(F)(F)F ZINC000617007179 469568435 /nfs/dbraw/zinc/56/84/35/469568435.db2.gz NITRUFWSKNJELK-NEPJUHHUSA-N 2 2 346.397 2.445 10 0 EEAELP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623470572 469666752 /nfs/dbraw/zinc/66/67/52/469666752.db2.gz QJROCRDLONTKQZ-RYUDHWBXSA-N 2 2 333.440 2.014 10 0 EEAELP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623470572 469666755 /nfs/dbraw/zinc/66/67/55/469666755.db2.gz QJROCRDLONTKQZ-RYUDHWBXSA-N 2 2 333.440 2.014 10 0 EEAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccco1 ZINC000607876279 469719549 /nfs/dbraw/zinc/71/95/49/469719549.db2.gz LKMGHJBCVUNAIM-MRXNPFEDSA-N 2 2 333.476 2.450 10 0 EEAELP COc1ccc(CN2CC[C@H]2C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000623640990 469720453 /nfs/dbraw/zinc/72/04/53/469720453.db2.gz DLEILZDFSHUQNU-INIZCTEOSA-N 2 2 326.444 2.202 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000613595032 469746248 /nfs/dbraw/zinc/74/62/48/469746248.db2.gz UVSSFDJGMOYEOZ-JCKWVBRZSA-N 2 2 326.444 2.322 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000613595032 469746252 /nfs/dbraw/zinc/74/62/52/469746252.db2.gz UVSSFDJGMOYEOZ-JCKWVBRZSA-N 2 2 326.444 2.322 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)c[nH+]2)CC1 ZINC000626931479 469759182 /nfs/dbraw/zinc/75/91/82/469759182.db2.gz GNRBVAMJZNGUOZ-DOTOQJQBSA-N 2 2 345.491 2.258 10 0 EEAELP c1[nH+]cn2c1c(N1CC[NH+](C[C@H]3CCCO3)CC1)nc1ccccc12 ZINC000623800486 469765311 /nfs/dbraw/zinc/76/53/11/469765311.db2.gz LVFAVPLFCXUGCU-OAHLLOKOSA-N 2 2 337.427 2.184 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC000617765227 469795401 /nfs/dbraw/zinc/79/54/01/469795401.db2.gz YEZMJCWAEIIAFM-UHFFFAOYSA-N 2 2 329.488 2.108 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C12CC(c3ccccc3)(C1)C2 ZINC000617765227 469795404 /nfs/dbraw/zinc/79/54/04/469795404.db2.gz YEZMJCWAEIIAFM-UHFFFAOYSA-N 2 2 329.488 2.108 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)CC2 ZINC000624520549 469966373 /nfs/dbraw/zinc/96/63/73/469966373.db2.gz RIRSRAQOPXUYBC-ZSZQSSIHSA-N 2 2 332.492 2.381 10 0 EEAELP CC(C)(C)OCC[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631056922 470059114 /nfs/dbraw/zinc/05/91/14/470059114.db2.gz OKQWDCUJVPRNMI-UHFFFAOYSA-N 2 2 336.476 2.302 10 0 EEAELP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631091938 470066238 /nfs/dbraw/zinc/06/62/38/470066238.db2.gz SGDVLTUJXCBPTD-RTBURBONSA-N 2 2 332.492 2.151 10 0 EEAELP Cc1cc(N2CC[NH+](CCOC3CCOCC3)CC2)nc(C(C)C)[nH+]1 ZINC000625075741 470071931 /nfs/dbraw/zinc/07/19/31/470071931.db2.gz XJBDYKRJSVAOCD-UHFFFAOYSA-N 2 2 348.491 2.226 10 0 EEAELP CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631181246 470087749 /nfs/dbraw/zinc/08/77/49/470087749.db2.gz OFGPUYRIZHNDDW-XLIONFOSSA-N 2 2 346.471 2.055 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccc(Cl)cc43)C2)CC1 ZINC000631259309 470104610 /nfs/dbraw/zinc/10/46/10/470104610.db2.gz PKCQYJSFIHDXHR-QAPCUYQASA-N 2 2 347.890 2.264 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3Cc4ccc(Cl)cc43)C2)CC1 ZINC000631259309 470104612 /nfs/dbraw/zinc/10/46/12/470104612.db2.gz PKCQYJSFIHDXHR-QAPCUYQASA-N 2 2 347.890 2.264 10 0 EEAELP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)[NH+](C)C ZINC000634711785 470284183 /nfs/dbraw/zinc/28/41/83/470284183.db2.gz UNZCKAKEANVLPZ-LWCVALJOSA-N 2 2 334.504 2.488 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)c1 ZINC000634716739 470285503 /nfs/dbraw/zinc/28/55/03/470285503.db2.gz YXZLJXKTEWNNDS-AWEZNQCLSA-N 2 2 344.242 2.299 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721977 470286514 /nfs/dbraw/zinc/28/65/14/470286514.db2.gz 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O=C(C[N@H+]1CCC12CCCC2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000649655567 470655531 /nfs/dbraw/zinc/65/55/31/470655531.db2.gz GQIAALPADGPABT-UHFFFAOYSA-N 2 2 349.519 2.156 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C(C)(C)C ZINC000640620115 470973591 /nfs/dbraw/zinc/97/35/91/470973591.db2.gz FCIOSPBNEBZOCX-INIZCTEOSA-N 2 2 327.432 2.070 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C(C)(C)C ZINC000640620115 470973595 /nfs/dbraw/zinc/97/35/95/470973595.db2.gz FCIOSPBNEBZOCX-INIZCTEOSA-N 2 2 327.432 2.070 10 0 EEAELP CN(CC[NH+]1CCCCC1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000650833061 470980218 /nfs/dbraw/zinc/98/02/18/470980218.db2.gz ABPVKGYSXJPJRB-UHFFFAOYSA-N 2 2 347.385 2.073 10 0 EEAELP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899772 471011444 /nfs/dbraw/zinc/01/14/44/471011444.db2.gz WFPLAPGCIIIBJM-JYJNAYRXSA-N 2 2 331.460 2.486 10 0 EEAELP COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899772 471011448 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UGBZHFCMMQGMQW-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320428 472068659 /nfs/dbraw/zinc/06/86/59/472068659.db2.gz UGBZHFCMMQGMQW-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319908 472068959 /nfs/dbraw/zinc/06/89/59/472068959.db2.gz QDXVCYSDOPBKKB-PKOBYXMFSA-N 2 2 347.503 2.076 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319908 472068962 /nfs/dbraw/zinc/06/89/62/472068962.db2.gz QDXVCYSDOPBKKB-PKOBYXMFSA-N 2 2 347.503 2.076 10 0 EEAELP CN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000668588486 472186867 /nfs/dbraw/zinc/18/68/67/472186867.db2.gz ILUVCWUDMHYNDZ-QZTJIDSGSA-N 2 2 338.455 2.484 10 0 EEAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)C1([NH2+]C2CC2)CCC1 ZINC000662694915 472212048 /nfs/dbraw/zinc/21/20/48/472212048.db2.gz DIHDJGHUEMNXLJ-UHFFFAOYSA-N 2 2 328.391 2.302 10 0 EEAELP 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/nfs/dbraw/zinc/66/68/92/485666892.db2.gz DVNNBSKFNZQBMN-GFCCVEGCSA-N 2 2 349.385 2.371 10 0 EEAELP CC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[C@H]1C ZINC000683862479 485666905 /nfs/dbraw/zinc/66/69/05/485666905.db2.gz DVNNBSKFNZQBMN-GFCCVEGCSA-N 2 2 349.385 2.371 10 0 EEAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596587 485737430 /nfs/dbraw/zinc/73/74/30/485737430.db2.gz SFNFPQHDCSIBKG-CPLUKWAASA-N 2 2 329.488 2.492 10 0 EEAELP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596587 485737435 /nfs/dbraw/zinc/73/74/35/485737435.db2.gz SFNFPQHDCSIBKG-CPLUKWAASA-N 2 2 329.488 2.492 10 0 EEAELP Cc1nc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(C)s1 ZINC000679993440 485865558 /nfs/dbraw/zinc/86/55/58/485865558.db2.gz GSZILQSOWJIXOH-SMDDNHRTSA-N 2 2 347.488 2.335 10 0 EEAELP CC1(C)C[C@H]([NH2+]C[C@@]2(CCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000677806760 486496777 /nfs/dbraw/zinc/49/67/77/486496777.db2.gz MXSRNWABEQFSMY-AZUAARDMSA-N 2 2 332.488 2.418 10 0 EEAELP CC1(C)C[C@H]([NH2+]C[C@@]2(CCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000677806760 486496783 /nfs/dbraw/zinc/49/67/83/486496783.db2.gz MXSRNWABEQFSMY-AZUAARDMSA-N 2 2 332.488 2.418 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000682942821 486590090 /nfs/dbraw/zinc/59/00/90/486590090.db2.gz RCZRQDGMYPPPQK-MRXNPFEDSA-N 2 2 340.427 2.207 10 0 EEAELP CCc1cc(N[C@H](CO)CC[NH+](CC)CC)nc(-c2ccncc2)[nH+]1 ZINC000439139862 536090288 /nfs/dbraw/zinc/09/02/88/536090288.db2.gz XWCHWXYMCAMDGX-KRWDZBQOSA-N 2 2 343.475 2.028 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC/C=C/c3ccccc3)C2)CC1 ZINC000734278832 577286675 /nfs/dbraw/zinc/28/66/75/577286675.db2.gz ZEGOEXLACVYIPB-MOTZXUDYSA-N 2 2 342.487 2.168 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC/C=C/c3ccccc3)C2)CC1 ZINC000734278832 577286677 /nfs/dbraw/zinc/28/66/77/577286677.db2.gz ZEGOEXLACVYIPB-MOTZXUDYSA-N 2 2 342.487 2.168 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)c3cccnc3)CC2)cc1 ZINC000773080920 577314645 /nfs/dbraw/zinc/31/46/45/577314645.db2.gz JEOKHVMSDICJDC-FQEVSTJZSA-N 2 2 340.471 2.440 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)c3ccnn3C)c2cc1C ZINC000774246085 577391597 /nfs/dbraw/zinc/39/15/97/577391597.db2.gz XHGIPIHRNZHOCS-CABCVRRESA-N 2 2 327.432 2.098 10 0 EEAELP CC(C)[C@H]1CN(C(=O)c2ncoc2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000721368632 679383117 /nfs/dbraw/zinc/38/31/17/679383117.db2.gz OGFKPCNCIREHIC-MRXNPFEDSA-N 2 2 342.443 2.116 10 0 EEAELP CC(C)[C@H]1CN(C(=O)c2ncoc2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000721368632 679383120 /nfs/dbraw/zinc/38/31/20/679383120.db2.gz OGFKPCNCIREHIC-MRXNPFEDSA-N 2 2 342.443 2.116 10 0 EEAELP C/C=C(/CC)C[NH+]1CCN(c2cc(N)[nH+]c(N3CCCC3)n2)CC1 ZINC000096758989 681873198 /nfs/dbraw/zinc/87/31/98/681873198.db2.gz FEPYTGAFJQPEJP-CQPUUCJISA-N 2 2 330.480 2.137 10 0 EEAELP CC(C)[C@H](C(=O)NCc1nc(C[NH+](C)C)cs1)[NH+]1CCCCC1 ZINC000927772570 682138567 /nfs/dbraw/zinc/13/85/67/682138567.db2.gz WYMZZGNZIMUOCC-MRXNPFEDSA-N 2 2 338.521 2.331 10 0 EEAELP c1cn(Cc2nc(-c3cn(C[C@@H]4CCCC[NH2+]C4)nn3)cs2)c[nH+]1 ZINC000899754779 693858232 /nfs/dbraw/zinc/85/82/32/693858232.db2.gz BJVGNXXRCJGOIU-CYBMUJFWSA-N 2 2 343.460 2.036 10 0 EEAELP COc1ccc(C[N@H+](CCO)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000895711756 684693909 /nfs/dbraw/zinc/69/39/09/684693909.db2.gz VNIVRJRKZCTYEY-UHFFFAOYSA-N 2 2 338.411 2.270 10 0 EEAELP COc1ccc(C[N@@H+](CCO)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000895711756 684693910 /nfs/dbraw/zinc/69/39/10/684693910.db2.gz VNIVRJRKZCTYEY-UHFFFAOYSA-N 2 2 338.411 2.270 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c[nH+]1 ZINC000897240407 686310032 /nfs/dbraw/zinc/31/00/32/686310032.db2.gz HIJZUXGSVWJGCY-SJORKVTESA-N 2 2 326.444 2.488 10 0 EEAELP C[N@@H+]1CCc2[nH]c3ccc(C(=O)N4CC([NH+]5CCCC5)C4)cc3c2C1 ZINC000898605722 693392447 /nfs/dbraw/zinc/39/24/47/693392447.db2.gz YSOSXVDSGXWKJO-UHFFFAOYSA-N 2 2 338.455 2.076 10 0 EEAELP C[N@H+]1CCc2[nH]c3ccc(C(=O)N4CC([NH+]5CCCC5)C4)cc3c2C1 ZINC000898605722 693392453 /nfs/dbraw/zinc/39/24/53/693392453.db2.gz YSOSXVDSGXWKJO-UHFFFAOYSA-N 2 2 338.455 2.076 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485508463 1191819831 /nfs/dbraw/zinc/81/98/31/1191819831.db2.gz FPPVPHXFROISAA-LIRRHRJNSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485508463 1191819833 /nfs/dbraw/zinc/81/98/33/1191819833.db2.gz FPPVPHXFROISAA-LIRRHRJNSA-N 2 2 338.455 2.466 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC001485617791 1191859216 /nfs/dbraw/zinc/85/92/16/1191859216.db2.gz HTLVZCZQIPQRIJ-PHZGNYQRSA-N 2 2 344.846 2.100 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC001485617791 1191859219 /nfs/dbraw/zinc/85/92/19/1191859219.db2.gz HTLVZCZQIPQRIJ-PHZGNYQRSA-N 2 2 344.846 2.100 10 0 EEAELP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485646886 1191878279 /nfs/dbraw/zinc/87/82/79/1191878279.db2.gz MIFDPXNYHPAUEA-RDJZCZTQSA-N 2 2 346.475 2.048 10 0 EEAELP Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)sn1 ZINC001485726931 1191912024 /nfs/dbraw/zinc/91/20/24/1191912024.db2.gz PURQZRLLTNFYBH-NILFDRSVSA-N 2 2 347.488 2.353 10 0 EEAELP Cc1cc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)sn1 ZINC001485726931 1191912025 /nfs/dbraw/zinc/91/20/25/1191912025.db2.gz PURQZRLLTNFYBH-NILFDRSVSA-N 2 2 347.488 2.353 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001266495799 1176640166 /nfs/dbraw/zinc/64/01/66/1176640166.db2.gz VKNRNSADCSUWLL-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001266495799 1176640170 /nfs/dbraw/zinc/64/01/70/1176640170.db2.gz VKNRNSADCSUWLL-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001266495799 1176640180 /nfs/dbraw/zinc/64/01/80/1176640180.db2.gz VKNRNSADCSUWLL-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001266495799 1176640192 /nfs/dbraw/zinc/64/01/92/1176640192.db2.gz VKNRNSADCSUWLL-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266754706 1177357025 /nfs/dbraw/zinc/35/70/25/1177357025.db2.gz GSDQWOZZKDMARK-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266754706 1177357033 /nfs/dbraw/zinc/35/70/33/1177357033.db2.gz GSDQWOZZKDMARK-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CC[C@@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001691062847 1177493181 /nfs/dbraw/zinc/49/31/81/1177493181.db2.gz WHHBKLSKMZMKBH-DGCLKSJQSA-N 2 2 345.274 2.069 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CC[C@@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001691062847 1177493185 /nfs/dbraw/zinc/49/31/85/1177493185.db2.gz WHHBKLSKMZMKBH-DGCLKSJQSA-N 2 2 345.274 2.069 10 0 EEAELP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)s1 ZINC001691355805 1177959875 /nfs/dbraw/zinc/95/98/75/1177959875.db2.gz QLACVTMUWSCLSG-INIZCTEOSA-N 2 2 349.504 2.483 10 0 EEAELP CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267048720 1178149200 /nfs/dbraw/zinc/14/92/00/1178149200.db2.gz ZHSJDXDAAAIIKR-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267073280 1178192564 /nfs/dbraw/zinc/19/25/64/1178192564.db2.gz QNKZNWNZYPVYEI-QGZVFWFLSA-N 2 2 340.471 2.126 10 0 EEAELP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001691443799 1178822855 /nfs/dbraw/zinc/82/28/55/1178822855.db2.gz GJADHJITAQIDPC-PYTPGESOSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001691443799 1178822865 /nfs/dbraw/zinc/82/28/65/1178822865.db2.gz GJADHJITAQIDPC-PYTPGESOSA-N 2 2 337.508 2.034 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267396603 1178967137 /nfs/dbraw/zinc/96/71/37/1178967137.db2.gz XOABJPOZHBTAIH-INIZCTEOSA-N 2 2 344.434 2.141 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ocnc1C ZINC001480978792 1179413423 /nfs/dbraw/zinc/41/34/23/1179413423.db2.gz LMCORGNJULWIMD-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ocnc1C ZINC001480978792 1179413424 /nfs/dbraw/zinc/41/34/24/1179413424.db2.gz LMCORGNJULWIMD-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ocnc1C ZINC001480978792 1179413425 /nfs/dbraw/zinc/41/34/25/1179413425.db2.gz LMCORGNJULWIMD-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ocnc1C ZINC001480978792 1179413427 /nfs/dbraw/zinc/41/34/27/1179413427.db2.gz LMCORGNJULWIMD-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP CC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1cncc(C)c1 ZINC001480982056 1179419891 /nfs/dbraw/zinc/41/98/91/1179419891.db2.gz IDPRYNNQXGJHAI-UHFFFAOYSA-N 2 2 343.475 2.268 10 0 EEAELP CC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1cncc(C)c1 ZINC001480982056 1179419896 /nfs/dbraw/zinc/41/98/96/1179419896.db2.gz IDPRYNNQXGJHAI-UHFFFAOYSA-N 2 2 343.475 2.268 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]Cc3cncs3)ccn12 ZINC001267986376 1180921824 /nfs/dbraw/zinc/92/18/24/1180921824.db2.gz KVFIGFZIBPVMST-LBPRGKRZSA-N 2 2 343.456 2.255 10 0 EEAELP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001272741730 1193066799 /nfs/dbraw/zinc/06/67/99/1193066799.db2.gz FSSBGHCWNHBUJA-JYJNAYRXSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@H]([NH2+]CC[C@H]1CCCCO1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001481345878 1181081743 /nfs/dbraw/zinc/08/17/43/1181081743.db2.gz IFVVSXVIMSGPDA-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP CCOCCC[NH2+]C[C@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268064949 1181654860 /nfs/dbraw/zinc/65/48/60/1181654860.db2.gz WKLGVDKGBQFFAO-AWEZNQCLSA-N 2 2 332.448 2.119 10 0 EEAELP C[C@H](C[NH2+]CCOCC1CCC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001268073781 1181670393 /nfs/dbraw/zinc/67/03/93/1181670393.db2.gz DRTAWZRZDHHGLW-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)C[C@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268111727 1181756359 /nfs/dbraw/zinc/75/63/59/1181756359.db2.gz FMECMAZWSXTCMJ-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCF)C1 ZINC001268169861 1181934161 /nfs/dbraw/zinc/93/41/61/1181934161.db2.gz DOEPXANARJOYSS-LSDHHAIUSA-N 2 2 337.439 2.209 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481732994 1182416783 /nfs/dbraw/zinc/41/67/83/1182416783.db2.gz YMRQGHQLYDGRBL-OAHLLOKOSA-N 2 2 336.480 2.319 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001481732994 1182416785 /nfs/dbraw/zinc/41/67/85/1182416785.db2.gz YMRQGHQLYDGRBL-OAHLLOKOSA-N 2 2 336.480 2.319 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001481770868 1182665097 /nfs/dbraw/zinc/66/50/97/1182665097.db2.gz NQNMTFCANNBPTG-HNNXBMFYSA-N 2 2 347.488 2.079 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001481770868 1182665100 /nfs/dbraw/zinc/66/51/00/1182665100.db2.gz NQNMTFCANNBPTG-HNNXBMFYSA-N 2 2 347.488 2.079 10 0 EEAELP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H](OC)C2CCCC2)C1 ZINC001481775243 1182671628 /nfs/dbraw/zinc/67/16/28/1182671628.db2.gz LYBZUNLSIPZWLS-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC001481775243 1182671634 /nfs/dbraw/zinc/67/16/34/1182671634.db2.gz LYBZUNLSIPZWLS-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1C ZINC001481826689 1182756059 /nfs/dbraw/zinc/75/60/59/1182756059.db2.gz TVYUMDZXAOIKIA-FUHWJXTLSA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCc2ccccc21 ZINC001481870357 1182845305 /nfs/dbraw/zinc/84/53/05/1182845305.db2.gz MGWAETFYYLGFPA-CRAIPNDOSA-N 2 2 326.444 2.135 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001482017989 1183136876 /nfs/dbraw/zinc/13/68/76/1183136876.db2.gz IVYTXABGTHYBNK-BRWVUGGUSA-N 2 2 330.476 2.429 10 0 EEAELP O=C(NCC=CC[NH2+]CCc1ccns1)c1cc2c[nH+]ccc2[nH]1 ZINC001268554898 1183245483 /nfs/dbraw/zinc/24/54/83/1183245483.db2.gz FWHWNGLPUAVMSF-UPHRSURJSA-N 2 2 341.440 2.138 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1=CCCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001268562378 1183261285 /nfs/dbraw/zinc/26/12/85/1183261285.db2.gz VYOOZFDEDFYHGM-BDUNBXCCSA-N 2 2 328.460 2.208 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001268562950 1183263550 /nfs/dbraw/zinc/26/35/50/1183263550.db2.gz ZUSPTSYVERAWOK-MJSXRHKHSA-N 2 2 330.476 2.144 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC1CC2(CCC2)C1 ZINC001482144015 1183461561 /nfs/dbraw/zinc/46/15/61/1183461561.db2.gz UDOKGXUPUPGGIW-USXIJHARSA-N 2 2 344.503 2.446 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)Cc2c[nH+]cn2C)c1 ZINC001268613507 1183528262 /nfs/dbraw/zinc/52/82/62/1183528262.db2.gz NNBVSNAEVGBNAX-SNAWJCMRSA-N 2 2 326.444 2.042 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001268652779 1183581697 /nfs/dbraw/zinc/58/16/97/1183581697.db2.gz AWQSRZJJQSJABO-GFCCVEGCSA-N 2 2 341.415 2.101 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC001269083333 1183946041 /nfs/dbraw/zinc/94/60/41/1183946041.db2.gz HWHKSNGGEQAQEU-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001269083333 1183946045 /nfs/dbraw/zinc/94/60/45/1183946045.db2.gz HWHKSNGGEQAQEU-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCOC1CCC1 ZINC001269401300 1184241134 /nfs/dbraw/zinc/24/11/34/1184241134.db2.gz BAKKAVCQYJCVMY-MRXNPFEDSA-N 2 2 344.459 2.310 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001269752311 1184589866 /nfs/dbraw/zinc/58/98/66/1184589866.db2.gz WAKSRUNVADVCBR-JBGNVSFKSA-N 2 2 338.883 2.324 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC001270066271 1184822687 /nfs/dbraw/zinc/82/26/87/1184822687.db2.gz HEAWZZHBHNZKJL-KRWDZBQOSA-N 2 2 342.443 2.002 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC001270066271 1184822694 /nfs/dbraw/zinc/82/26/94/1184822694.db2.gz HEAWZZHBHNZKJL-KRWDZBQOSA-N 2 2 342.443 2.002 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc2csc(C)n2)c[nH+]1 ZINC001482299775 1185199825 /nfs/dbraw/zinc/19/98/25/1185199825.db2.gz OXJIBCRBABSDKD-CYBMUJFWSA-N 2 2 349.504 2.328 10 0 EEAELP CCCCOCC[NH+]1CC2(C1)CCN(C(=O)CCn1cc[nH+]c1)CC2 ZINC001270850700 1185461975 /nfs/dbraw/zinc/46/19/75/1185461975.db2.gz CQHNDWJDIZSGPF-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP CO[C@H](C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001482504583 1186414564 /nfs/dbraw/zinc/41/45/64/1186414564.db2.gz QTTJHFLHMUZBAR-DJIMGWMZSA-N 2 2 348.491 2.109 10 0 EEAELP CO[C@H](C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001482504583 1186414566 /nfs/dbraw/zinc/41/45/66/1186414566.db2.gz QTTJHFLHMUZBAR-DJIMGWMZSA-N 2 2 348.491 2.109 10 0 EEAELP CO[C@H](C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001482504583 1186414569 /nfs/dbraw/zinc/41/45/69/1186414569.db2.gz QTTJHFLHMUZBAR-DJIMGWMZSA-N 2 2 348.491 2.109 10 0 EEAELP CO[C@H](C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001482504583 1186414573 /nfs/dbraw/zinc/41/45/73/1186414573.db2.gz QTTJHFLHMUZBAR-DJIMGWMZSA-N 2 2 348.491 2.109 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001482696036 1187666168 /nfs/dbraw/zinc/66/61/68/1187666168.db2.gz BJGFMKAVDYIMGP-UONOGXRCSA-N 2 2 346.397 2.490 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001482891384 1187818547 /nfs/dbraw/zinc/81/85/47/1187818547.db2.gz RXIYEVQJSKTRAG-ZDUSSCGKSA-N 2 2 347.463 2.067 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001482895505 1187823069 /nfs/dbraw/zinc/82/30/69/1187823069.db2.gz UDNYASGMZPJYLK-INIZCTEOSA-N 2 2 328.460 2.346 10 0 EEAELP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001670939889 1193530083 /nfs/dbraw/zinc/53/00/83/1193530083.db2.gz MTRJGWFOUXKSDM-MQVJKMGUSA-N 2 2 348.491 2.226 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)oc1C ZINC001483070856 1188419586 /nfs/dbraw/zinc/41/95/86/1188419586.db2.gz SPBPGOCMJDCPJF-LXXRFIIISA-N 2 2 348.491 2.316 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)oc1C ZINC001483070856 1188419587 /nfs/dbraw/zinc/41/95/87/1188419587.db2.gz SPBPGOCMJDCPJF-LXXRFIIISA-N 2 2 348.491 2.316 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001483152192 1188896541 /nfs/dbraw/zinc/89/65/41/1188896541.db2.gz MRVXASZLJXRYCP-CVEARBPZSA-N 2 2 342.443 2.007 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2[nH+]ccn2C)c1 ZINC001409390827 1189617379 /nfs/dbraw/zinc/61/73/79/1189617379.db2.gz UULLHXCXGWHGDN-HOTGVXAUSA-N 2 2 328.460 2.344 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1 ZINC001485890094 1193630973 /nfs/dbraw/zinc/63/09/73/1193630973.db2.gz BCMPFQIVICYHRJ-NVXWUHKLSA-N 2 2 326.444 2.082 10 0 EEAELP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)Cc2nocc2C)C1 ZINC001409620530 1190111511 /nfs/dbraw/zinc/11/15/11/1190111511.db2.gz XBGXTXUPZROVDR-HOTGVXAUSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)Cc2nocc2C)C1 ZINC001409620530 1190111514 /nfs/dbraw/zinc/11/15/14/1190111514.db2.gz XBGXTXUPZROVDR-HOTGVXAUSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc2nocc2C)C1 ZINC001409620530 1190111519 /nfs/dbraw/zinc/11/15/19/1190111519.db2.gz XBGXTXUPZROVDR-HOTGVXAUSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc2nocc2C)C1 ZINC001409620530 1190111521 /nfs/dbraw/zinc/11/15/21/1190111521.db2.gz XBGXTXUPZROVDR-HOTGVXAUSA-N 2 2 336.480 2.042 10 0 EEAELP C[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)CCc1c[nH+]cn1C ZINC001483289624 1190314953 /nfs/dbraw/zinc/31/49/53/1190314953.db2.gz XKOAEQKONFKPNL-UONOGXRCSA-N 2 2 342.434 2.273 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001483472802 1190494068 /nfs/dbraw/zinc/49/40/68/1190494068.db2.gz ZKJMAHQSPDIUTM-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001483472802 1190494071 /nfs/dbraw/zinc/49/40/71/1190494071.db2.gz ZKJMAHQSPDIUTM-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)o1 ZINC001272617178 1190932422 /nfs/dbraw/zinc/93/24/22/1190932422.db2.gz UEBQBPMMQAVOAN-AWEZNQCLSA-N 2 2 345.447 2.012 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001409905740 1190994628 /nfs/dbraw/zinc/99/46/28/1190994628.db2.gz HFIOSOXYQIBUFU-LSDHHAIUSA-N 2 2 348.491 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001409905740 1190994629 /nfs/dbraw/zinc/99/46/29/1190994629.db2.gz HFIOSOXYQIBUFU-LSDHHAIUSA-N 2 2 348.491 2.076 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001483949456 1191129119 /nfs/dbraw/zinc/12/91/19/1191129119.db2.gz CETPNVVGBILRPA-SFHVURJKSA-N 2 2 340.471 2.474 10 0 EEAELP CCCc1nc(C)c(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)o1 ZINC001484072199 1191192866 /nfs/dbraw/zinc/19/28/66/1191192866.db2.gz RSMRMHPMMUVJPB-LJQANCHMSA-N 2 2 348.491 2.112 10 0 EEAELP CCCc1nc(C)c(C[N@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)o1 ZINC001484072199 1191192867 /nfs/dbraw/zinc/19/28/67/1191192867.db2.gz RSMRMHPMMUVJPB-LJQANCHMSA-N 2 2 348.491 2.112 10 0 EEAELP Cc1ncc(C[NH+]2CCC(C)(CNC(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC001484145083 1191234146 /nfs/dbraw/zinc/23/41/46/1191234146.db2.gz QCAYWSUBOJKAQM-UHFFFAOYSA-N 2 2 347.488 2.136 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001484546156 1191408155 /nfs/dbraw/zinc/40/81/55/1191408155.db2.gz DGFWFAMCYMHMDV-QGZVFWFLSA-N 2 2 332.492 2.371 10 0 EEAELP CO[C@H](C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001485069147 1191636489 /nfs/dbraw/zinc/63/64/89/1191636489.db2.gz JPVLWLBTCWSJKL-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001485069147 1191636491 /nfs/dbraw/zinc/63/64/91/1191636491.db2.gz JPVLWLBTCWSJKL-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001485095787 1191654050 /nfs/dbraw/zinc/65/40/50/1191654050.db2.gz DGTCEKUZFRZZFR-DOPNRYRRSA-N 2 2 330.476 2.286 10 0 EEAELP CC(C)CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001485096120 1191654183 /nfs/dbraw/zinc/65/41/83/1191654183.db2.gz QGPOBYQKCJRAQG-AQFXKWCLSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001485170264 1191672091 /nfs/dbraw/zinc/67/20/91/1191672091.db2.gz SBLHDKBPYBRGDT-QWHCGFSZSA-N 2 2 341.415 2.236 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001485329242 1191745451 /nfs/dbraw/zinc/74/54/51/1191745451.db2.gz QMYZOOCUADTTNS-HOTGVXAUSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CC[C@@H]1CCCCO1 ZINC001485329242 1191745452 /nfs/dbraw/zinc/74/54/52/1191745452.db2.gz QMYZOOCUADTTNS-HOTGVXAUSA-N 2 2 344.459 2.344 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001486223032 1193760489 /nfs/dbraw/zinc/76/04/89/1193760489.db2.gz WTQDBJZUMSXZSW-CVEARBPZSA-N 2 2 345.447 2.034 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001486254815 1193782633 /nfs/dbraw/zinc/78/26/33/1193782633.db2.gz YDHLUPRZPJPITL-TZMCWYRMSA-N 2 2 346.397 2.369 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001486254815 1193782635 /nfs/dbraw/zinc/78/26/35/1193782635.db2.gz YDHLUPRZPJPITL-TZMCWYRMSA-N 2 2 346.397 2.369 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001273151207 1197077478 /nfs/dbraw/zinc/07/74/78/1197077478.db2.gz PQBVEBFZALAFGN-SNVBAGLBSA-N 2 2 335.477 2.019 10 0 EEAELP Cc1nc(C[N@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)oc1C ZINC001410028724 1197469147 /nfs/dbraw/zinc/46/91/47/1197469147.db2.gz XFIPDFRTSWLYNL-HNNXBMFYSA-N 2 2 348.491 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)oc1C ZINC001410028724 1197469152 /nfs/dbraw/zinc/46/91/52/1197469152.db2.gz XFIPDFRTSWLYNL-HNNXBMFYSA-N 2 2 348.491 2.102 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@H]2C1 ZINC001410189056 1197593910 /nfs/dbraw/zinc/59/39/10/1197593910.db2.gz JXHFISGAUPVMTJ-KZNAEPCWSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@H]2C1 ZINC001410189056 1197593912 /nfs/dbraw/zinc/59/39/12/1197593912.db2.gz JXHFISGAUPVMTJ-KZNAEPCWSA-N 2 2 344.503 2.370 10 0 EEAELP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC000871360592 1197699076 /nfs/dbraw/zinc/69/90/76/1197699076.db2.gz UNGZMLIMHKDYOZ-URSIVYNOSA-N 2 2 337.508 2.009 10 0 EEAELP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC000871360592 1197699081 /nfs/dbraw/zinc/69/90/81/1197699081.db2.gz UNGZMLIMHKDYOZ-URSIVYNOSA-N 2 2 337.508 2.009 10 0 EEAELP C[NH2+][C@H](C)Cc1noc([C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000871788160 1197904131 /nfs/dbraw/zinc/90/41/31/1197904131.db2.gz GJXDWMUOSVSYGI-PRHODGIISA-N 2 2 325.210 2.031 10 0 EEAELP CCc1noc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001410492747 1198046643 /nfs/dbraw/zinc/04/66/43/1198046643.db2.gz LZUKFCAUBVCZMF-LBPRGKRZSA-N 2 2 347.463 2.183 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153997 1198061024 /nfs/dbraw/zinc/06/10/24/1198061024.db2.gz QKIBKFGEQNLCAE-SCGCMHLBSA-N 2 2 335.879 2.447 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872153997 1198061034 /nfs/dbraw/zinc/06/10/34/1198061034.db2.gz QKIBKFGEQNLCAE-SCGCMHLBSA-N 2 2 335.879 2.447 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000872154743 1198061569 /nfs/dbraw/zinc/06/15/69/1198061569.db2.gz XZWLDIJDRWNYPH-DZGCQCFKSA-N 2 2 332.366 2.391 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000872154743 1198061575 /nfs/dbraw/zinc/06/15/75/1198061575.db2.gz XZWLDIJDRWNYPH-DZGCQCFKSA-N 2 2 332.366 2.391 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2c3c(nn2C)CCCC3)cn1 ZINC000865421068 1198208808 /nfs/dbraw/zinc/20/88/08/1198208808.db2.gz XIVPXQSWGWUBCL-UHFFFAOYSA-N 2 2 336.443 2.478 10 0 EEAELP CCCC[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCOCC1 ZINC001273975106 1201817678 /nfs/dbraw/zinc/81/76/78/1201817678.db2.gz NRWGYDUGLRKIIR-UHFFFAOYSA-N 2 2 344.459 2.311 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000869008532 1201923012 /nfs/dbraw/zinc/92/30/12/1201923012.db2.gz QKXQMTHDUFKPAH-SYJJWHGVSA-N 2 2 333.480 2.182 10 0 EEAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1 ZINC000869106435 1201941472 /nfs/dbraw/zinc/94/14/72/1201941472.db2.gz NQTDBQVXCCJHTD-SJLPKXTDSA-N 2 2 330.476 2.299 10 0 EEAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000869106435 1201941473 /nfs/dbraw/zinc/94/14/73/1201941473.db2.gz NQTDBQVXCCJHTD-SJLPKXTDSA-N 2 2 330.476 2.299 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001274141985 1204401111 /nfs/dbraw/zinc/40/11/11/1204401111.db2.gz KHWMDFLNBWEKIE-LHRDXKRPSA-N 2 2 338.455 2.216 10 0 EEAELP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925097351 1206069596 /nfs/dbraw/zinc/06/95/96/1206069596.db2.gz QHVLIEZZERUQIQ-GBESFXJTSA-N 2 2 334.460 2.344 10 0 EEAELP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925097351 1206069598 /nfs/dbraw/zinc/06/95/98/1206069598.db2.gz QHVLIEZZERUQIQ-GBESFXJTSA-N 2 2 334.460 2.344 10 0 EEAELP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925539043 1206124931 /nfs/dbraw/zinc/12/49/31/1206124931.db2.gz YHPYJFSINGJKTG-HXUWFJFHSA-N 3 2 342.531 2.069 10 0 EEAELP C[C@H](CN[C@@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000925546862 1206126130 /nfs/dbraw/zinc/12/61/30/1206126130.db2.gz QMXWHBFSHBAZLA-BHIYHBOVSA-N 2 2 328.504 2.057 10 0 EEAELP COC1(OC)CC[C@@H]1Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000925906523 1206166583 /nfs/dbraw/zinc/16/65/83/1206166583.db2.gz QGVBCESTWNOMNQ-INIZCTEOSA-N 2 2 334.464 2.175 10 0 EEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929813521 1206504958 /nfs/dbraw/zinc/50/49/58/1206504958.db2.gz KXKNXZSGXHIJER-WCIQWLHISA-N 2 2 332.488 2.420 10 0 EEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929813521 1206504960 /nfs/dbraw/zinc/50/49/60/1206504960.db2.gz KXKNXZSGXHIJER-WCIQWLHISA-N 2 2 332.488 2.420 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929813521 1206504962 /nfs/dbraw/zinc/50/49/62/1206504962.db2.gz KXKNXZSGXHIJER-WCIQWLHISA-N 2 2 332.488 2.420 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000929813521 1206504964 /nfs/dbraw/zinc/50/49/64/1206504964.db2.gz KXKNXZSGXHIJER-WCIQWLHISA-N 2 2 332.488 2.420 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000796577051 1221421325 /nfs/dbraw/zinc/42/13/25/1221421325.db2.gz YKWCQPQLMMWDFL-QGZVFWFLSA-N 2 2 349.381 2.224 10 0 EEAELP C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902986502 1239270278 /nfs/dbraw/zinc/27/02/78/1239270278.db2.gz BPAGKZVYUWALTC-ZIAGYGMSSA-N 2 2 333.457 2.489 10 0 EEAELP COC[C@@H](CC1CCOCC1)[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC000903378604 1240346860 /nfs/dbraw/zinc/34/68/60/1240346860.db2.gz QZJNSAFALGGTKH-RTBURBONSA-N 2 2 335.492 2.496 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903908783 1242433211 /nfs/dbraw/zinc/43/32/11/1242433211.db2.gz PQGRQYOPPSLDQH-GHMZBOCLSA-N 2 2 345.356 2.092 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903908783 1242433217 /nfs/dbraw/zinc/43/32/17/1242433217.db2.gz PQGRQYOPPSLDQH-GHMZBOCLSA-N 2 2 345.356 2.092 10 0 EEAELP Cc1[nH+]cc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)n1-c1ccccc1 ZINC000903974651 1242811673 /nfs/dbraw/zinc/81/16/73/1242811673.db2.gz VLEXZUMSGGTADZ-QGZVFWFLSA-N 2 2 340.471 2.429 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001491024727 1258583617 /nfs/dbraw/zinc/58/36/17/1258583617.db2.gz NCMHWWNWMZEKGY-IYBDPMFKSA-N 2 2 330.407 2.227 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001491024727 1258583624 /nfs/dbraw/zinc/58/36/24/1258583624.db2.gz NCMHWWNWMZEKGY-IYBDPMFKSA-N 2 2 330.407 2.227 10 0 EEAELP CCO[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001491233781 1258820652 /nfs/dbraw/zinc/82/06/52/1258820652.db2.gz GISYTFRQACHTLZ-FUHWJXTLSA-N 2 2 348.491 2.046 10 0 EEAELP CCO[C@H](C[N@H+]1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001491233781 1258820661 /nfs/dbraw/zinc/82/06/61/1258820661.db2.gz GISYTFRQACHTLZ-FUHWJXTLSA-N 2 2 348.491 2.046 10 0 EEAELP C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632622 1286219866 /nfs/dbraw/zinc/21/98/66/1286219866.db2.gz CJUUQXJLGWPPAA-DLBZAZTESA-N 2 2 333.451 2.247 10 0 EEAELP C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632622 1286219875 /nfs/dbraw/zinc/21/98/75/1286219875.db2.gz CJUUQXJLGWPPAA-DLBZAZTESA-N 2 2 333.451 2.247 10 0 EEAELP C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632622 1286219880 /nfs/dbraw/zinc/21/98/80/1286219880.db2.gz CJUUQXJLGWPPAA-DLBZAZTESA-N 2 2 333.451 2.247 10 0 EEAELP C[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632622 1286219887 /nfs/dbraw/zinc/21/98/87/1286219887.db2.gz CJUUQXJLGWPPAA-DLBZAZTESA-N 2 2 333.451 2.247 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1Cc1cscn1 ZINC001489117353 1290380745 /nfs/dbraw/zinc/38/07/45/1290380745.db2.gz PMTKXXLTOIDZRA-LSDHHAIUSA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@H+]1Cc1cscn1 ZINC001489117353 1290380757 /nfs/dbraw/zinc/38/07/57/1290380757.db2.gz PMTKXXLTOIDZRA-LSDHHAIUSA-N 2 2 336.505 2.097 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001490216679 1291090759 /nfs/dbraw/zinc/09/07/59/1291090759.db2.gz HASXGJOOWBFOCS-MRXNPFEDSA-N 2 2 346.500 2.454 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001490216679 1291090775 /nfs/dbraw/zinc/09/07/75/1291090775.db2.gz HASXGJOOWBFOCS-MRXNPFEDSA-N 2 2 346.500 2.454 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001490282057 1291114666 /nfs/dbraw/zinc/11/46/66/1291114666.db2.gz QYPDTYAOGHIWLU-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001490282057 1291114670 /nfs/dbraw/zinc/11/46/70/1291114670.db2.gz QYPDTYAOGHIWLU-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1snc(Cl)c1Cl ZINC000855414464 1293208637 /nfs/dbraw/zinc/20/86/37/1293208637.db2.gz DKBYCRBKTILPSX-UHFFFAOYSA-N 2 2 339.292 2.063 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1snc(Cl)c1Cl ZINC000855414464 1293208630 /nfs/dbraw/zinc/20/86/30/1293208630.db2.gz DKBYCRBKTILPSX-UHFFFAOYSA-N 2 2 339.292 2.063 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C2CC2)cnc1Cl ZINC000855414932 1293209364 /nfs/dbraw/zinc/20/93/64/1293209364.db2.gz NKVVUPQGRJSQFV-UHFFFAOYSA-N 2 2 338.883 2.226 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C2CC2)cnc1Cl ZINC000855414932 1293209367 /nfs/dbraw/zinc/20/93/67/1293209367.db2.gz NKVVUPQGRJSQFV-UHFFFAOYSA-N 2 2 338.883 2.226 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(C)n3C)C2)ccn1 ZINC000856548712 1293561883 /nfs/dbraw/zinc/56/18/83/1293561883.db2.gz HGXZHWYVOKBBEH-LJQANCHMSA-N 2 2 343.475 2.229 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnc(C)n3C)C2)ccn1 ZINC000856548712 1293561893 /nfs/dbraw/zinc/56/18/93/1293561893.db2.gz HGXZHWYVOKBBEH-LJQANCHMSA-N 2 2 343.475 2.229 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cnc(C)n3C)C2)ccn1 ZINC000856548712 1293561899 /nfs/dbraw/zinc/56/18/99/1293561899.db2.gz HGXZHWYVOKBBEH-LJQANCHMSA-N 2 2 343.475 2.229 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cnc(C)n3C)C2)ccn1 ZINC000856548712 1293561903 /nfs/dbraw/zinc/56/19/03/1293561903.db2.gz HGXZHWYVOKBBEH-LJQANCHMSA-N 2 2 343.475 2.229 10 0 EEAELP CCn1ncc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000857087541 1293716465 /nfs/dbraw/zinc/71/64/65/1293716465.db2.gz UETMAPRDQJPWLX-HKUYNNGSSA-N 2 2 327.476 2.470 10 0 EEAELP CCn1ncc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000857087541 1293716470 /nfs/dbraw/zinc/71/64/70/1293716470.db2.gz UETMAPRDQJPWLX-HKUYNNGSSA-N 2 2 327.476 2.470 10 0 EEAELP Cc1cccc(CCC[NH2+]C2(CNC(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC001277223927 1301904541 /nfs/dbraw/zinc/90/45/41/1301904541.db2.gz AFQZJDLZEKFNMX-UHFFFAOYSA-N 2 2 340.471 2.142 10 0 EEAELP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001491556863 1303519305 /nfs/dbraw/zinc/51/93/05/1303519305.db2.gz BZWWSCRCSVPOJX-QAPCUYQASA-N 2 2 339.524 2.160 10 0 EEAELP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001491556863 1303519310 /nfs/dbraw/zinc/51/93/10/1303519310.db2.gz BZWWSCRCSVPOJX-QAPCUYQASA-N 2 2 339.524 2.160 10 0 EEAELP C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCOCC1)n1cc[nH+]c1 ZINC001277948214 1305247655 /nfs/dbraw/zinc/24/76/55/1305247655.db2.gz SJQWVSKZPJVJLH-AEFFLSMTSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](CCOCC2CCC2)CC1 ZINC001278087764 1305909475 /nfs/dbraw/zinc/90/94/75/1305909475.db2.gz KWLFUZGGISJYFR-UHFFFAOYSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@]2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001278556532 1317224138 /nfs/dbraw/zinc/22/41/38/1317224138.db2.gz RFLWLBHQLOZKJP-FQEVSTJZSA-N 2 2 340.471 2.332 10 0 EEAELP CCCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278747157 1317956919 /nfs/dbraw/zinc/95/69/19/1317956919.db2.gz HJSLRXAIYMLXOP-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CCCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278747157 1317956922 /nfs/dbraw/zinc/95/69/22/1317956922.db2.gz HJSLRXAIYMLXOP-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CC[C@H](C(=O)NCCC[N@H+](C)Cc1cc(C(C)(C)C)on1)[NH+](C)C ZINC001265871806 1323444367 /nfs/dbraw/zinc/44/43/67/1323444367.db2.gz GYTNRMKCPCFETB-OAHLLOKOSA-N 2 2 338.496 2.250 10 0 EEAELP CC[C@H](C(=O)NCCC[N@@H+](C)Cc1cc(C(C)(C)C)on1)[NH+](C)C ZINC001265871806 1323444368 /nfs/dbraw/zinc/44/43/68/1323444368.db2.gz GYTNRMKCPCFETB-OAHLLOKOSA-N 2 2 338.496 2.250 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001266002013 1323557049 /nfs/dbraw/zinc/55/70/49/1323557049.db2.gz RVNNQBQYWLHHLG-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)Cc2cscn2)C1 ZINC001266116123 1323684322 /nfs/dbraw/zinc/68/43/22/1323684322.db2.gz FXQDATHFFFGGGH-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2cscn2)C1 ZINC001266116123 1323684331 /nfs/dbraw/zinc/68/43/31/1323684331.db2.gz FXQDATHFFFGGGH-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@H+](Cc2cccnc2)CC1)n1cc[nH+]c1 ZINC001279644571 1323968783 /nfs/dbraw/zinc/96/87/83/1323968783.db2.gz PWUHLGAYWLEWEY-INIZCTEOSA-N 2 2 339.443 2.178 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@@H+](Cc2cccnc2)CC1)n1cc[nH+]c1 ZINC001279644571 1323968785 /nfs/dbraw/zinc/96/87/85/1323968785.db2.gz PWUHLGAYWLEWEY-INIZCTEOSA-N 2 2 339.443 2.178 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(F)c1 ZINC001279716353 1323985634 /nfs/dbraw/zinc/98/56/34/1323985634.db2.gz RVXDAKVKQFTVFI-MRXNPFEDSA-N 2 2 344.434 2.401 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001280097346 1324083663 /nfs/dbraw/zinc/08/36/63/1324083663.db2.gz YKQJSWJNURCCGG-IRXDYDNUSA-N 2 2 330.476 2.074 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001280097349 1324083838 /nfs/dbraw/zinc/08/38/38/1324083838.db2.gz YKQJSWJNURCCGG-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001280207110 1324113718 /nfs/dbraw/zinc/11/37/18/1324113718.db2.gz FSPIUVPNEGYJBZ-AWEZNQCLSA-N 2 2 330.407 2.120 10 0 EEAELP Cc1conc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001280207346 1324114702 /nfs/dbraw/zinc/11/47/02/1324114702.db2.gz JOHQQVDLBDMXLX-CVEARBPZSA-N 2 2 345.447 2.159 10 0 EEAELP CCC[NH2+]CC[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001280231573 1324124789 /nfs/dbraw/zinc/12/47/89/1324124789.db2.gz UJQVSTRAFCKOLP-INIZCTEOSA-N 2 2 328.460 2.423 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]Cc2cscn2)C1)c1c[nH+]c[nH]1 ZINC001280262893 1324133728 /nfs/dbraw/zinc/13/37/28/1324133728.db2.gz ABWCJVMMQORQEO-CYBMUJFWSA-N 2 2 347.488 2.172 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+][C@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001282242386 1325666292 /nfs/dbraw/zinc/66/62/92/1325666292.db2.gz RFTCJAPEWOBRRS-SJORKVTESA-N 2 2 344.459 2.062 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001282741675 1325777442 /nfs/dbraw/zinc/77/74/42/1325777442.db2.gz RFLIWLVSIQKKIZ-NSHDSACASA-N 2 2 332.370 2.121 10 0 EEAELP Cc1csc(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001492170306 1331046250 /nfs/dbraw/zinc/04/62/50/1331046250.db2.gz CIHHJQBSQWDGNY-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCO1 ZINC001492176161 1331054847 /nfs/dbraw/zinc/05/48/47/1331054847.db2.gz SKRTWAKTKLWHDJ-IAGOWNOFSA-N 2 2 348.491 2.191 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC001492176161 1331054852 /nfs/dbraw/zinc/05/48/52/1331054852.db2.gz SKRTWAKTKLWHDJ-IAGOWNOFSA-N 2 2 348.491 2.191 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001492258187 1331118775 /nfs/dbraw/zinc/11/87/75/1331118775.db2.gz UJCSQIWQFNCGHZ-MRXNPFEDSA-N 2 2 334.508 2.492 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001492258187 1331118777 /nfs/dbraw/zinc/11/87/77/1331118777.db2.gz UJCSQIWQFNCGHZ-MRXNPFEDSA-N 2 2 334.508 2.492 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001492447225 1331260313 /nfs/dbraw/zinc/26/03/13/1331260313.db2.gz AKZXNCSDYCXFGF-CABCVRRESA-N 2 2 344.459 2.406 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001492447225 1331260316 /nfs/dbraw/zinc/26/03/16/1331260316.db2.gz AKZXNCSDYCXFGF-CABCVRRESA-N 2 2 344.459 2.406 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001492447225 1331260318 /nfs/dbraw/zinc/26/03/18/1331260318.db2.gz AKZXNCSDYCXFGF-CABCVRRESA-N 2 2 344.459 2.406 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001492447225 1331260321 /nfs/dbraw/zinc/26/03/21/1331260321.db2.gz AKZXNCSDYCXFGF-CABCVRRESA-N 2 2 344.459 2.406 10 0 EEAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]CCc2cccs2)C1 ZINC001316708496 1331782051 /nfs/dbraw/zinc/78/20/51/1331782051.db2.gz GPQLAMTXQHAOKU-CVEARBPZSA-N 2 2 346.500 2.404 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001316991714 1332033446 /nfs/dbraw/zinc/03/34/46/1332033446.db2.gz QYTFPURRENJIFZ-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001316991714 1332033448 /nfs/dbraw/zinc/03/34/48/1332033448.db2.gz QYTFPURRENJIFZ-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001317005618 1332041227 /nfs/dbraw/zinc/04/12/27/1332041227.db2.gz HFBPHFJSNBEWGW-LAQIPUCWSA-N 2 2 330.476 2.290 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001317159544 1332105081 /nfs/dbraw/zinc/10/50/81/1332105081.db2.gz IBBBYQFLAHZOIQ-INIZCTEOSA-N 2 2 346.500 2.475 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001317335700 1332183855 /nfs/dbraw/zinc/18/38/55/1332183855.db2.gz FJSHAPSDFLPDMX-KGLIPLIRSA-N 2 2 340.418 2.216 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1)c1nc2ccccc2o1 ZINC001317417094 1332220535 /nfs/dbraw/zinc/22/05/35/1332220535.db2.gz GSDMIJPXPQKXNO-UONOGXRCSA-N 2 2 341.415 2.270 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccnc(Cl)c1 ZINC001317513994 1332276564 /nfs/dbraw/zinc/27/65/64/1332276564.db2.gz RKRGLRBXHZPMPM-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccnc(Cl)c1 ZINC001317513994 1332276565 /nfs/dbraw/zinc/27/65/65/1332276565.db2.gz RKRGLRBXHZPMPM-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001317513994 1332276566 /nfs/dbraw/zinc/27/65/66/1332276566.db2.gz RKRGLRBXHZPMPM-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001317513994 1332276567 /nfs/dbraw/zinc/27/65/67/1332276567.db2.gz RKRGLRBXHZPMPM-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001317596159 1332316466 /nfs/dbraw/zinc/31/64/66/1332316466.db2.gz NQNBVFLLFIZJNC-QGZVFWFLSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001317596159 1332316470 /nfs/dbraw/zinc/31/64/70/1332316470.db2.gz NQNBVFLLFIZJNC-QGZVFWFLSA-N 2 2 348.491 2.192 10 0 EEAELP CC[C@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001318848098 1332610926 /nfs/dbraw/zinc/61/09/26/1332610926.db2.gz CSKFBYWCJZKUPB-CVEARBPZSA-N 2 2 338.471 2.319 10 0 EEAELP O=C(N[C@@H](C[NH2+]CCF)C1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001319655416 1332734935 /nfs/dbraw/zinc/73/49/35/1332734935.db2.gz KUDQASGWYMZCSJ-HOTGVXAUSA-N 2 2 336.455 2.070 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001320148939 1332838003 /nfs/dbraw/zinc/83/80/03/1332838003.db2.gz CYFAJUOBXVKPDP-OLZOCXBDSA-N 2 2 346.397 2.180 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]C[C@H]3CCCCO3)ccn12 ZINC001320414783 1332878194 /nfs/dbraw/zinc/87/81/94/1332878194.db2.gz LYXLHWRGFDRPSB-RHSMWYFYSA-N 2 2 344.459 2.310 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320456374 1332888154 /nfs/dbraw/zinc/88/81/54/1332888154.db2.gz UPWIGGYJHQRNBN-NUEKZKHPSA-N 2 2 344.434 2.379 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320456374 1332888157 /nfs/dbraw/zinc/88/81/57/1332888157.db2.gz UPWIGGYJHQRNBN-NUEKZKHPSA-N 2 2 344.434 2.379 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320734295 1332942338 /nfs/dbraw/zinc/94/23/38/1332942338.db2.gz GUUULMIBQWPYIX-UHFFFAOYSA-N 2 2 336.480 2.186 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F ZINC001321262234 1333057921 /nfs/dbraw/zinc/05/79/21/1333057921.db2.gz ONAAIDJGRNXADL-YYZONTRBSA-N 2 2 328.391 2.041 10 0 EEAELP Cc1cccc(C[NH2+]CCCN(C)C(=O)CCc2[nH+]ccn2C)c1 ZINC001322623081 1333296171 /nfs/dbraw/zinc/29/61/71/1333296171.db2.gz LUBMXENHCDWOIW-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001324180320 1333629697 /nfs/dbraw/zinc/62/96/97/1333629697.db2.gz IWPQEMMOAQFVMX-IAGOWNOFSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001330709884 1334890065 /nfs/dbraw/zinc/89/00/65/1334890065.db2.gz YTURYFDVVFPHKQ-RBSFLKMASA-N 2 2 340.418 2.193 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCOCC2CC2)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331994810 1335699913 /nfs/dbraw/zinc/69/99/13/1335699913.db2.gz INMQPVGZFIUEGE-CJNGLKHVSA-N 2 2 342.443 2.182 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCF)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001332016118 1335706503 /nfs/dbraw/zinc/70/65/03/1335706503.db2.gz QNQZPGCREPFNRU-HOCLYGCPSA-N 2 2 330.407 2.425 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001333344600 1336014921 /nfs/dbraw/zinc/01/49/21/1336014921.db2.gz ZQISKSNWKPLOLD-UHFFFAOYSA-N 2 2 342.487 2.310 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001333344600 1336014927 /nfs/dbraw/zinc/01/49/27/1336014927.db2.gz ZQISKSNWKPLOLD-UHFFFAOYSA-N 2 2 342.487 2.310 10 0 EEAELP O=C(NCC[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1C(F)(F)F ZINC001334391805 1336247683 /nfs/dbraw/zinc/24/76/83/1336247683.db2.gz ZUYLQIBGEPSQTH-AWEZNQCLSA-N 2 2 341.377 2.309 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC=CC34CCCC4)CC2)CC1 ZINC001348506553 1337556105 /nfs/dbraw/zinc/55/61/05/1337556105.db2.gz LGOCRBZFVKWZDK-UHFFFAOYSA-N 2 2 346.519 2.439 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccc(F)cc1F ZINC001480539011 1338316591 /nfs/dbraw/zinc/31/65/91/1338316591.db2.gz WVHIBVUIIAVLRX-KCPJHIHWSA-N 2 2 348.397 2.096 10 0 EEAELP Cn1nccc1CC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001620616298 1352360960 /nfs/dbraw/zinc/36/09/60/1352360960.db2.gz WRIWEMQNVLNVFC-UHFFFAOYSA-N 2 2 342.487 2.187 10 0 EEAELP Cn1nccc1CC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001620616298 1352360961 /nfs/dbraw/zinc/36/09/61/1352360961.db2.gz WRIWEMQNVLNVFC-UHFFFAOYSA-N 2 2 342.487 2.187 10 0 EEAELP Cn1nccc1CC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001620616298 1352360964 /nfs/dbraw/zinc/36/09/64/1352360964.db2.gz WRIWEMQNVLNVFC-UHFFFAOYSA-N 2 2 342.487 2.187 10 0 EEAELP Cn1nccc1CC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001620616298 1352360965 /nfs/dbraw/zinc/36/09/65/1352360965.db2.gz WRIWEMQNVLNVFC-UHFFFAOYSA-N 2 2 342.487 2.187 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](CCOC2CCC2)CC1 ZINC001433423006 1341593248 /nfs/dbraw/zinc/59/32/48/1341593248.db2.gz RMRAABIKHAKLIC-MRXNPFEDSA-N 2 2 348.491 2.110 10 0 EEAELP C[C@H](CC(=O)N[C@]1(C)CC[N@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001500264990 1342122498 /nfs/dbraw/zinc/12/24/98/1342122498.db2.gz OSYXTGRNLXQGCU-CZUORRHYSA-N 2 2 340.418 2.460 10 0 EEAELP C[C@H](CC(=O)N[C@]1(C)CC[N@@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001500264990 1342122500 /nfs/dbraw/zinc/12/25/00/1342122500.db2.gz OSYXTGRNLXQGCU-CZUORRHYSA-N 2 2 340.418 2.460 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001500289847 1342137660 /nfs/dbraw/zinc/13/76/60/1342137660.db2.gz MLEPZQUVHGYXGF-LJQANCHMSA-N 2 2 348.491 2.283 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001500289847 1342137665 /nfs/dbraw/zinc/13/76/65/1342137665.db2.gz MLEPZQUVHGYXGF-LJQANCHMSA-N 2 2 348.491 2.283 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001567370328 1342747083 /nfs/dbraw/zinc/74/70/83/1342747083.db2.gz PIOYIWWCGIYPEW-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP CCOCCC[N@H+]1CCC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001567370328 1342747085 /nfs/dbraw/zinc/74/70/85/1342747085.db2.gz PIOYIWWCGIYPEW-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP CCC/C=C/CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001570244811 1343042838 /nfs/dbraw/zinc/04/28/38/1343042838.db2.gz ZIOGQSMPQSXJRJ-VGRIIWOTSA-N 2 2 349.519 2.177 10 0 EEAELP CCC/C=C/CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001570244811 1343042843 /nfs/dbraw/zinc/04/28/43/1343042843.db2.gz ZIOGQSMPQSXJRJ-VGRIIWOTSA-N 2 2 349.519 2.177 10 0 EEAELP CN(C(=O)Cc1c[nH+]c[nH]1)C1CC([NH2+]CCCc2cccc(F)c2)C1 ZINC001571663001 1343265988 /nfs/dbraw/zinc/26/59/88/1343265988.db2.gz ZVGFIXBEMLIWHB-UHFFFAOYSA-N 2 2 344.434 2.303 10 0 EEAELP C[C@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001676360727 1357140394 /nfs/dbraw/zinc/14/03/94/1357140394.db2.gz WSSQWOCAELYKNB-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001676360727 1357140397 /nfs/dbraw/zinc/14/03/97/1357140397.db2.gz WSSQWOCAELYKNB-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001629334435 1352552109 /nfs/dbraw/zinc/55/21/09/1352552109.db2.gz ZVAFLLRADRLYRJ-KRWDZBQOSA-N 2 2 348.366 2.102 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C(C)(C)C(F)(F)F)c2)CC1 ZINC001650578138 1354002291 /nfs/dbraw/zinc/00/22/91/1354002291.db2.gz SIDCWMZBVQYZLA-UHFFFAOYSA-N 2 2 330.354 2.360 10 0 EEAELP c1cn(-c2ccc(C[NH2+]Cc3ccnc(-n4cncn4)c3)cc2)c[nH+]1 ZINC001651422372 1354052229 /nfs/dbraw/zinc/05/22/29/1354052229.db2.gz KLXXSKZOAWOHSP-UHFFFAOYSA-N 2 2 331.383 2.138 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@H](C[NH2+]C/C=C\Cl)C1 ZINC001661792730 1354697690 /nfs/dbraw/zinc/69/76/90/1354697690.db2.gz FMEPUNHSCJCKRF-DZKNULOGSA-N 2 2 336.867 2.026 10 0 EEAELP Cc1ncoc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001663120445 1354922284 /nfs/dbraw/zinc/92/22/84/1354922284.db2.gz UQVYYVBOFJTNHF-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1ncoc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001663120445 1354922286 /nfs/dbraw/zinc/92/22/86/1354922286.db2.gz UQVYYVBOFJTNHF-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccccn1 ZINC001664513540 1355183212 /nfs/dbraw/zinc/18/32/12/1355183212.db2.gz KTUPGAFHUUVMFP-IAGOWNOFSA-N 2 2 341.459 2.325 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccccn1 ZINC001664513540 1355183214 /nfs/dbraw/zinc/18/32/14/1355183214.db2.gz KTUPGAFHUUVMFP-IAGOWNOFSA-N 2 2 341.459 2.325 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ccccn1 ZINC001664513540 1355183219 /nfs/dbraw/zinc/18/32/19/1355183219.db2.gz KTUPGAFHUUVMFP-IAGOWNOFSA-N 2 2 341.459 2.325 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ccccn1 ZINC001664513540 1355183223 /nfs/dbraw/zinc/18/32/23/1355183223.db2.gz KTUPGAFHUUVMFP-IAGOWNOFSA-N 2 2 341.459 2.325 10 0 EEAELP C[C@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)CCc1[nH+]ccn1C ZINC001668146700 1355884311 /nfs/dbraw/zinc/88/43/11/1355884311.db2.gz FTCWQLZSSVHWCL-LLVKDONJSA-N 2 2 333.263 2.156 10 0 EEAELP CO[C@H](C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001668886759 1356035534 /nfs/dbraw/zinc/03/55/34/1356035534.db2.gz AUIIHWWRGURHPX-LHRDXKRPSA-N 2 2 342.443 2.254 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001668893416 1356037897 /nfs/dbraw/zinc/03/78/97/1356037897.db2.gz MXDCWMVBWRFGAM-IMLGJKEDSA-N 2 2 342.487 2.288 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001671388903 1356334145 /nfs/dbraw/zinc/33/41/45/1356334145.db2.gz HPFMZXXEOFUVJE-HUUCEWRRSA-N 2 2 340.418 2.289 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001672904922 1356611978 /nfs/dbraw/zinc/61/19/78/1356611978.db2.gz HONNUBYIZLFBOK-QGZVFWFLSA-N 2 2 332.492 2.371 10 0 EEAELP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001675745510 1357045499 /nfs/dbraw/zinc/04/54/99/1357045499.db2.gz IPEKDEFIPDTBMA-MPGHIAIKSA-N 2 2 347.507 2.465 10 0 EEAELP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001675745510 1357045504 /nfs/dbraw/zinc/04/55/04/1357045504.db2.gz IPEKDEFIPDTBMA-MPGHIAIKSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001698858323 1405115125 /nfs/dbraw/zinc/11/51/25/1405115125.db2.gz UPLIQDJVCKSKRP-LBPRGKRZSA-N 2 2 349.866 2.372 10 0 EEAELP CN(CC[N@H+](C)CCOCC1CCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001698989794 1405206294 /nfs/dbraw/zinc/20/62/94/1405206294.db2.gz OUIBUYJLOPTVSA-UHFFFAOYSA-N 2 2 344.459 2.155 10 0 EEAELP CN(CC[N@@H+](C)CCOCC1CCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001698989794 1405206299 /nfs/dbraw/zinc/20/62/99/1405206299.db2.gz OUIBUYJLOPTVSA-UHFFFAOYSA-N 2 2 344.459 2.155 10 0 EEAELP CN(CCC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)Cn1cc[nH+]c1 ZINC001699555294 1405394028 /nfs/dbraw/zinc/39/40/28/1405394028.db2.gz BBKFGHGPHPFSMH-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP Cn1nc2c(c1C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)COCC2 ZINC000921472068 773389135 /nfs/dbraw/zinc/38/91/35/773389135.db2.gz VSJUGLKXHGDVAP-UHFFFAOYSA-N 2 2 340.471 2.247 10 0 EEAELP CCOC[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000705936436 784828592 /nfs/dbraw/zinc/82/85/92/784828592.db2.gz XMGWFSBKKRGFLK-VAMGGRTRSA-N 2 2 332.488 2.228 10 0 EEAELP C[C@]1(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)C[NH+]2CCC1CC2 ZINC000912377437 788150451 /nfs/dbraw/zinc/15/04/51/788150451.db2.gz NCXPMUDKDHTOHI-FQEVSTJZSA-N 2 2 338.455 2.074 10 0 EEAELP C[NH+](C)[C@@]1(C(=O)Nc2ccc3c[nH+]cn3c2)COc2ccccc2C1 ZINC001179310231 799859618 /nfs/dbraw/zinc/85/96/18/799859618.db2.gz RLOXAWXJUXOPHU-LJQANCHMSA-N 2 2 336.395 2.208 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)Cc1ccccn1 ZINC001566557314 1125729772 /nfs/dbraw/zinc/72/97/72/1125729772.db2.gz GAJDKLQSFOPTCQ-UHFFFAOYSA-N 2 2 337.427 2.371 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)Cc1ccccn1 ZINC001566557314 1125729779 /nfs/dbraw/zinc/72/97/79/1125729779.db2.gz GAJDKLQSFOPTCQ-UHFFFAOYSA-N 2 2 337.427 2.371 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC=C(Cl)Cl ZINC001436481565 1087965501 /nfs/dbraw/zinc/96/55/01/1087965501.db2.gz MYLPYVMUZKMJLY-YPMHNXCESA-N 2 2 334.291 2.369 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1CC=C(Cl)Cl ZINC001436481565 1087965513 /nfs/dbraw/zinc/96/55/13/1087965513.db2.gz MYLPYVMUZKMJLY-YPMHNXCESA-N 2 2 334.291 2.369 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1CC=C(Cl)Cl ZINC001436481565 1087965526 /nfs/dbraw/zinc/96/55/26/1087965526.db2.gz MYLPYVMUZKMJLY-YPMHNXCESA-N 2 2 334.291 2.369 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1CC=C(Cl)Cl ZINC001436481565 1087965530 /nfs/dbraw/zinc/96/55/30/1087965530.db2.gz MYLPYVMUZKMJLY-YPMHNXCESA-N 2 2 334.291 2.369 10 0 EEAELP CCC(CC)C[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001436802262 1088381540 /nfs/dbraw/zinc/38/15/40/1088381540.db2.gz YHLPDKAKWWPKJP-FUHWJXTLSA-N 2 2 332.492 2.366 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C2CC2)c1 ZINC001436813651 1088403683 /nfs/dbraw/zinc/40/36/83/1088403683.db2.gz OXQZZLXFQALJPQ-ACJLOTCBSA-N 2 2 342.443 2.206 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]Cc1cc(C)ccc1F)C1CC1 ZINC001436835482 1088457892 /nfs/dbraw/zinc/45/78/92/1088457892.db2.gz IABXIHLGKNMZNZ-GOSISDBHSA-N 2 2 344.434 2.393 10 0 EEAELP C[C@H](CC(=O)NCC[N@H+](C)C[C@@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001437526169 1089955774 /nfs/dbraw/zinc/95/57/74/1089955774.db2.gz MAPGXTFBGZYRHH-ZIAGYGMSSA-N 2 2 328.407 2.318 10 0 EEAELP C[C@H](CC(=O)NCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001437526169 1089955786 /nfs/dbraw/zinc/95/57/86/1089955786.db2.gz MAPGXTFBGZYRHH-ZIAGYGMSSA-N 2 2 328.407 2.318 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)c1ncc(C)o1 ZINC001437621357 1090132935 /nfs/dbraw/zinc/13/29/35/1090132935.db2.gz WMHDMYVGCKXSBT-BPUTZDHNSA-N 2 2 336.480 2.212 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)c1ncc(C)o1 ZINC001437621357 1090132939 /nfs/dbraw/zinc/13/29/39/1090132939.db2.gz WMHDMYVGCKXSBT-BPUTZDHNSA-N 2 2 336.480 2.212 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ncc(C)o1 ZINC001437621357 1090132942 /nfs/dbraw/zinc/13/29/42/1090132942.db2.gz WMHDMYVGCKXSBT-BPUTZDHNSA-N 2 2 336.480 2.212 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](C)c1ncc(C)o1 ZINC001437621357 1090132946 /nfs/dbraw/zinc/13/29/46/1090132946.db2.gz WMHDMYVGCKXSBT-BPUTZDHNSA-N 2 2 336.480 2.212 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC001437643098 1090163135 /nfs/dbraw/zinc/16/31/35/1090163135.db2.gz OBUWHUARPCNALC-LJQANCHMSA-N 2 2 340.471 2.478 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)[C@@H]1CCc2ccccc21 ZINC001437643098 1090163137 /nfs/dbraw/zinc/16/31/37/1090163137.db2.gz OBUWHUARPCNALC-LJQANCHMSA-N 2 2 340.471 2.478 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2cnc(Cl)s2)C1)[NH+](C)C ZINC001437722595 1090274218 /nfs/dbraw/zinc/27/42/18/1090274218.db2.gz VDPXGCBBHPKMGG-DGCLKSJQSA-N 2 2 344.912 2.075 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1)[NH+](C)C ZINC001437722595 1090274221 /nfs/dbraw/zinc/27/42/21/1090274221.db2.gz VDPXGCBBHPKMGG-DGCLKSJQSA-N 2 2 344.912 2.075 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+](Cc3cncs3)C2)c[nH+]1 ZINC001437724728 1090277492 /nfs/dbraw/zinc/27/74/92/1090277492.db2.gz ZGBWDUBJGKPHKQ-CQSZACIVSA-N 2 2 347.488 2.021 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+](Cc3cncs3)C2)c[nH+]1 ZINC001437724728 1090277498 /nfs/dbraw/zinc/27/74/98/1090277498.db2.gz ZGBWDUBJGKPHKQ-CQSZACIVSA-N 2 2 347.488 2.021 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001437898371 1090477328 /nfs/dbraw/zinc/47/73/28/1090477328.db2.gz BSBCVLSPJDEAJP-CYBMUJFWSA-N 2 2 332.370 2.148 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001437898371 1090477332 /nfs/dbraw/zinc/47/73/32/1090477332.db2.gz BSBCVLSPJDEAJP-CYBMUJFWSA-N 2 2 332.370 2.148 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](Cc2cncs2)C1 ZINC001437900204 1090479860 /nfs/dbraw/zinc/47/98/60/1090479860.db2.gz JOUWEFSQBJMPRE-OAHLLOKOSA-N 2 2 347.488 2.161 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001437900204 1090479862 /nfs/dbraw/zinc/47/98/62/1090479862.db2.gz JOUWEFSQBJMPRE-OAHLLOKOSA-N 2 2 347.488 2.161 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001438452460 1090959390 /nfs/dbraw/zinc/95/93/90/1090959390.db2.gz RILLDKOPTLRMSS-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC1CC[NH+](Cc2nccs2)CC1 ZINC001438454835 1090963088 /nfs/dbraw/zinc/96/30/88/1090963088.db2.gz LLVIMZHQYCEXEV-UHFFFAOYSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)co1 ZINC001438709820 1091224058 /nfs/dbraw/zinc/22/40/58/1091224058.db2.gz BXSSRRHPEBHXOL-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP C[C@H](C[NH2+]Cc1cscn1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001438710325 1091226502 /nfs/dbraw/zinc/22/65/02/1091226502.db2.gz DSEGIRLTEGKHCD-RHSMWYFYSA-N 2 2 346.500 2.383 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001445573630 1091352340 /nfs/dbraw/zinc/35/23/40/1091352340.db2.gz WWUFQNYJBFLACW-STQMWFEESA-N 2 2 348.397 2.018 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CCCC1 ZINC001438809390 1091421995 /nfs/dbraw/zinc/42/19/95/1091421995.db2.gz SYEQLGOWCJPVJP-WMZOPIPTSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445761371 1091609957 /nfs/dbraw/zinc/60/99/57/1091609957.db2.gz JFFOSMVWMHCXQZ-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445761371 1091609960 /nfs/dbraw/zinc/60/99/60/1091609960.db2.gz JFFOSMVWMHCXQZ-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP O=C(N[C@H](C[NH2+]Cc1ccccc1)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001445961759 1091910730 /nfs/dbraw/zinc/91/07/30/1091910730.db2.gz ROUQGQKSWNFESZ-ZWKOTPCHSA-N 2 2 338.455 2.130 10 0 EEAELP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001439338809 1092036349 /nfs/dbraw/zinc/03/63/49/1092036349.db2.gz LVIMSLIWDJOROJ-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001439338809 1092036359 /nfs/dbraw/zinc/03/63/59/1092036359.db2.gz LVIMSLIWDJOROJ-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP CCc1onc(C)c1C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439551932 1092423976 /nfs/dbraw/zinc/42/39/76/1092423976.db2.gz QRBUBAGILAFJRQ-OAHLLOKOSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1onc(C)c1C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439551932 1092423981 /nfs/dbraw/zinc/42/39/81/1092423981.db2.gz QRBUBAGILAFJRQ-OAHLLOKOSA-N 2 2 348.491 2.110 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1([NH2+][C@@H](C)c2c(F)cccc2F)CC1 ZINC001439627389 1092542886 /nfs/dbraw/zinc/54/28/86/1092542886.db2.gz IWZZHIFLULSTAC-ZDUSSCGKSA-N 2 2 348.397 2.469 10 0 EEAELP CC(C)[NH+]1CCC2(CO[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001439811824 1092779504 /nfs/dbraw/zinc/77/95/04/1092779504.db2.gz QNQFDWLGKYXLQX-IRXDYDNUSA-N 2 2 348.491 2.230 10 0 EEAELP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001439935714 1093027515 /nfs/dbraw/zinc/02/75/15/1093027515.db2.gz UVYJIWKGBVZOFY-QFBILLFUSA-N 2 2 332.492 2.464 10 0 EEAELP CCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001439935714 1093027517 /nfs/dbraw/zinc/02/75/17/1093027517.db2.gz UVYJIWKGBVZOFY-QFBILLFUSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CC2CCC2)CCC1(F)F ZINC001439975110 1093093554 /nfs/dbraw/zinc/09/35/54/1093093554.db2.gz JUCFWEZUGIUQIB-CQSZACIVSA-N 2 2 340.418 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CC2CCC2)CCC1(F)F ZINC001439975110 1093093559 /nfs/dbraw/zinc/09/35/59/1093093559.db2.gz JUCFWEZUGIUQIB-CQSZACIVSA-N 2 2 340.418 2.134 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC(C)(C)C1 ZINC001448687677 1093751590 /nfs/dbraw/zinc/75/15/90/1093751590.db2.gz WEOPVWRFYROIHA-GDBMZVCRSA-N 2 2 332.492 2.318 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)Cc1nocc1C ZINC001440518311 1093768686 /nfs/dbraw/zinc/76/86/86/1093768686.db2.gz MMXARARHHTYQRG-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)Cc1nocc1C ZINC001440518311 1093768692 /nfs/dbraw/zinc/76/86/92/1093768692.db2.gz MMXARARHHTYQRG-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nocc1C ZINC001440518311 1093768697 /nfs/dbraw/zinc/76/86/97/1093768697.db2.gz MMXARARHHTYQRG-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nocc1C ZINC001440518311 1093768699 /nfs/dbraw/zinc/76/86/99/1093768699.db2.gz MMXARARHHTYQRG-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001448779258 1093859050 /nfs/dbraw/zinc/85/90/50/1093859050.db2.gz QPHCHCORTCNNTC-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP Cc1ncc(C[NH2+]CC2CC(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)s1 ZINC001440761208 1094003093 /nfs/dbraw/zinc/00/30/93/1094003093.db2.gz VDZSHXVMRZKADP-XGNXJENSSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1ncc(C[NH2+]CC2CC(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)s1 ZINC001440761208 1094003097 /nfs/dbraw/zinc/00/30/97/1094003097.db2.gz VDZSHXVMRZKADP-XGNXJENSSA-N 2 2 347.488 2.038 10 0 EEAELP CCc1noc(C)c1C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001440889384 1094147329 /nfs/dbraw/zinc/14/73/29/1094147329.db2.gz OGJUOPRWBOOWCE-UHFFFAOYSA-N 2 2 347.463 2.016 10 0 EEAELP CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001449249797 1094196965 /nfs/dbraw/zinc/19/69/65/1094196965.db2.gz ADOQOGZLBJUOPI-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCC1CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001449249797 1094196968 /nfs/dbraw/zinc/19/69/68/1094196968.db2.gz ADOQOGZLBJUOPI-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001440999018 1094269681 /nfs/dbraw/zinc/26/96/81/1094269681.db2.gz YIUDUMBPEIWWGC-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001440999018 1094269686 /nfs/dbraw/zinc/26/96/86/1094269686.db2.gz YIUDUMBPEIWWGC-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441028665 1094318252 /nfs/dbraw/zinc/31/82/52/1094318252.db2.gz UDINGGGCRWFYFA-CQSZACIVSA-N 2 2 334.851 2.482 10 0 EEAELP Cc1cc(Cl)ccc1C[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441028665 1094318262 /nfs/dbraw/zinc/31/82/62/1094318262.db2.gz UDINGGGCRWFYFA-CQSZACIVSA-N 2 2 334.851 2.482 10 0 EEAELP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001441165901 1094516647 /nfs/dbraw/zinc/51/66/47/1094516647.db2.gz HDXUTRLAPQHLGC-LSDHHAIUSA-N 2 2 332.492 2.245 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]CCc1ccccc1Cl)C1CC1 ZINC001441288331 1094717703 /nfs/dbraw/zinc/71/77/03/1094717703.db2.gz BJCILXXFIXXFQK-QGZVFWFLSA-N 2 2 346.862 2.264 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001441525824 1095231961 /nfs/dbraw/zinc/23/19/61/1095231961.db2.gz LGSMUDFYHWAQFF-XYPHTWIQSA-N 2 2 344.434 2.473 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001441525824 1095231970 /nfs/dbraw/zinc/23/19/70/1095231970.db2.gz LGSMUDFYHWAQFF-XYPHTWIQSA-N 2 2 344.434 2.473 10 0 EEAELP Cc1cncc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001441594961 1095432812 /nfs/dbraw/zinc/43/28/12/1095432812.db2.gz DGOJOFPWILFLHB-HZPDHXFCSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)CCCn3cc[nH+]c3)[C@@H]2C)o1 ZINC001441902984 1096064057 /nfs/dbraw/zinc/06/40/57/1096064057.db2.gz XXSKXULIYAAABW-YOEHRIQHSA-N 2 2 345.447 2.129 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)CCCn3cc[nH+]c3)[C@@H]2C)o1 ZINC001441902984 1096064068 /nfs/dbraw/zinc/06/40/68/1096064068.db2.gz XXSKXULIYAAABW-YOEHRIQHSA-N 2 2 345.447 2.129 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001442171356 1096436373 /nfs/dbraw/zinc/43/63/73/1096436373.db2.gz HGSHFTCGNVGYKF-HNNXBMFYSA-N 2 2 347.463 2.315 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001442900605 1097302782 /nfs/dbraw/zinc/30/27/82/1097302782.db2.gz CCEFZXGRKWNYAQ-CABCVRRESA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001442900605 1097302787 /nfs/dbraw/zinc/30/27/87/1097302787.db2.gz CCEFZXGRKWNYAQ-CABCVRRESA-N 2 2 340.418 2.147 10 0 EEAELP C[C@@H](CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccns2)C1)n1cc[nH+]c1 ZINC001443250392 1097725200 /nfs/dbraw/zinc/72/52/00/1097725200.db2.gz REIMROFZNAYJNH-LSDHHAIUSA-N 2 2 347.488 2.319 10 0 EEAELP C[C@@H](CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccns2)C1)n1cc[nH+]c1 ZINC001443250392 1097725204 /nfs/dbraw/zinc/72/52/04/1097725204.db2.gz REIMROFZNAYJNH-LSDHHAIUSA-N 2 2 347.488 2.319 10 0 EEAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1csc(C)n1 ZINC001444009668 1098526135 /nfs/dbraw/zinc/52/61/35/1098526135.db2.gz OOGRUAKJLSTZTE-JSGCOSHPSA-N 2 2 335.477 2.284 10 0 EEAELP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001479478884 1098558548 /nfs/dbraw/zinc/55/85/48/1098558548.db2.gz MIEADAQEUYQWHO-JKSUJKDBSA-N 2 2 342.443 2.036 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ncc(C(C)C)o1 ZINC001479640939 1098670420 /nfs/dbraw/zinc/67/04/20/1098670420.db2.gz FSEHYPOSCAJIFX-LSDHHAIUSA-N 2 2 336.480 2.219 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1ncc(C(C)C)o1 ZINC001479640939 1098670422 /nfs/dbraw/zinc/67/04/22/1098670422.db2.gz FSEHYPOSCAJIFX-LSDHHAIUSA-N 2 2 336.480 2.219 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1 ZINC001444172846 1098723261 /nfs/dbraw/zinc/72/32/61/1098723261.db2.gz RYDGQMJFGNLMFV-SXGGLOATSA-N 2 2 337.851 2.402 10 0 EEAELP CC[C@@H](C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1)OC ZINC001444172881 1098724397 /nfs/dbraw/zinc/72/43/97/1098724397.db2.gz SDPWDINBPAJVFP-ULQDDVLXSA-N 2 2 349.475 2.075 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001444317960 1098879586 /nfs/dbraw/zinc/87/95/86/1098879586.db2.gz GLEAJNOHVPHJKJ-QWHCGFSZSA-N 2 2 328.407 2.120 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001444317960 1098879596 /nfs/dbraw/zinc/87/95/96/1098879596.db2.gz GLEAJNOHVPHJKJ-QWHCGFSZSA-N 2 2 328.407 2.120 10 0 EEAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001479992976 1099456066 /nfs/dbraw/zinc/45/60/66/1099456066.db2.gz HHPGBWUSEGJRIM-USXIJHARSA-N 2 2 348.491 2.251 10 0 EEAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001479992976 1099456070 /nfs/dbraw/zinc/45/60/70/1099456070.db2.gz HHPGBWUSEGJRIM-USXIJHARSA-N 2 2 348.491 2.251 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC001480068855 1099604333 /nfs/dbraw/zinc/60/43/33/1099604333.db2.gz LMLNYYJIXDHDCU-HIFRSBDPSA-N 2 2 340.418 2.193 10 0 EEAELP CCc1onc(C)c1C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 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ZINC001507163724 1115142767 /nfs/dbraw/zinc/14/27/67/1115142767.db2.gz NMPKHXSVDNJJGA-AWEZNQCLSA-N 2 2 325.416 2.001 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC001508068007 1115410528 /nfs/dbraw/zinc/41/05/28/1115410528.db2.gz MCDYDOIZRSQBSP-OAHLLOKOSA-N 2 2 344.434 2.439 10 0 EEAELP CC[C@H](C(=O)NCC1=CC[N@H+]([C@H](C)c2ncc(C)o2)CC1)[NH+](C)C ZINC001508208017 1115444709 /nfs/dbraw/zinc/44/47/09/1115444709.db2.gz AFRHASGYIMDGKF-GDBMZVCRSA-N 2 2 334.464 2.133 10 0 EEAELP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001567914762 1124176184 /nfs/dbraw/zinc/17/61/84/1124176184.db2.gz XDVLZFHYBZVKIT-JKSUJKDBSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001567914762 1124176187 /nfs/dbraw/zinc/17/61/87/1124176187.db2.gz XDVLZFHYBZVKIT-JKSUJKDBSA-N 2 2 336.455 2.118 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001568385300 1124454960 /nfs/dbraw/zinc/45/49/60/1124454960.db2.gz CUCBKLCVAFRLNL-FUHWJXTLSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001568385300 1124454965 /nfs/dbraw/zinc/45/49/65/1124454965.db2.gz CUCBKLCVAFRLNL-FUHWJXTLSA-N 2 2 348.491 2.130 10 0 EEAELP CC(C)[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)nc1 ZINC001568456927 1124521529 /nfs/dbraw/zinc/52/15/29/1124521529.db2.gz BDKJENXLKMFMFV-OAHLLOKOSA-N 2 2 349.866 2.252 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)CCc1[nH+]ccn1C ZINC001568659938 1124674034 /nfs/dbraw/zinc/67/40/34/1124674034.db2.gz OROQIAUTZSQBAT-ZGSOTFDTSA-N 2 2 333.263 2.156 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc2cccc(Cl)n2)c[nH+]1 ZINC001569064485 1125074600 /nfs/dbraw/zinc/07/46/00/1125074600.db2.gz HVHGMMPVDAGAIT-LBPRGKRZSA-N 2 2 349.866 2.270 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]Cc2cnccc2C)c[nH+]1 ZINC001569213614 1125169765 /nfs/dbraw/zinc/16/97/65/1125169765.db2.gz GNSOHQNTGDHCRA-UHFFFAOYSA-N 2 2 343.475 2.268 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)CCc2[nH+]ccn2C)c(C)n1 ZINC001569225899 1125178227 /nfs/dbraw/zinc/17/82/27/1125178227.db2.gz BAFUXPNMNRRBKV-UHFFFAOYSA-N 2 2 343.475 2.003 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000088687415 539370348 /nfs/dbraw/zinc/37/03/48/539370348.db2.gz IMDRBQDPOXORLG-LJQANCHMSA-N 3 2 330.520 2.402 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000088687415 539370356 /nfs/dbraw/zinc/37/03/56/539370356.db2.gz IMDRBQDPOXORLG-LJQANCHMSA-N 3 2 330.520 2.402 10 0 EEAELP C[NH2+]Cc1ccc(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000415983737 530006173 /nfs/dbraw/zinc/00/61/73/530006173.db2.gz NXJRJASJTAGXNH-UHFFFAOYSA-N 2 2 339.443 2.464 10 0 EEAELP CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000163330873 539534345 /nfs/dbraw/zinc/53/43/45/539534345.db2.gz QFBDZCGMTPPKSF-KRWDZBQOSA-N 2 2 330.538 2.399 10 0 EEAELP CS(=O)(=O)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000163330873 539534348 /nfs/dbraw/zinc/53/43/48/539534348.db2.gz QFBDZCGMTPPKSF-KRWDZBQOSA-N 2 2 330.538 2.399 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)ccc1Br ZINC000384443636 539939481 /nfs/dbraw/zinc/93/94/81/539939481.db2.gz YSHNUZJGPHTYOT-CQSZACIVSA-N 2 2 327.266 2.304 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)ccc1Br ZINC000384443636 539939484 /nfs/dbraw/zinc/93/94/84/539939484.db2.gz YSHNUZJGPHTYOT-CQSZACIVSA-N 2 2 327.266 2.304 10 0 EEAELP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1c[nH+]ccc1N ZINC000422887794 299323022 /nfs/dbraw/zinc/32/30/22/299323022.db2.gz ZNGMZQNOSQXLEU-KFWWJZLASA-N 2 2 341.459 2.354 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nc(C(C)C)no2)nc[nH+]1 ZINC000105797854 204160143 /nfs/dbraw/zinc/16/01/43/204160143.db2.gz ZEXOTSOGUHDASU-QWHCGFSZSA-N 2 2 345.451 2.344 10 0 EEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000106426172 204195646 /nfs/dbraw/zinc/19/56/46/204195646.db2.gz QBTAARUUFHYHIU-IAGOWNOFSA-N 2 2 329.444 2.171 10 0 EEAELP CC[N@H+](CCOC)[C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000049010671 204362068 /nfs/dbraw/zinc/36/20/68/204362068.db2.gz XVCAGPGSZKIYTG-ZDUSSCGKSA-N 2 2 331.254 2.426 10 0 EEAELP CC[N@@H+](CCOC)[C@@H](C[NH3+])c1ccc(OC)c(Br)c1 ZINC000049010671 204362072 /nfs/dbraw/zinc/36/20/72/204362072.db2.gz XVCAGPGSZKIYTG-ZDUSSCGKSA-N 2 2 331.254 2.426 10 0 EEAELP Brc1sccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423107819 532981128 /nfs/dbraw/zinc/98/11/28/532981128.db2.gz FGSYKVNHWHUEQL-VXGBXAGGSA-N 2 2 331.279 2.367 10 0 EEAELP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Br)c(F)c2)CC1 ZINC000267181334 256034868 /nfs/dbraw/zinc/03/48/68/256034868.db2.gz YWYPDYYBOOHUII-UHFFFAOYSA-N 2 2 345.256 2.477 10 0 EEAELP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Br)c(F)c2)CC1 ZINC000267181334 256034870 /nfs/dbraw/zinc/03/48/70/256034870.db2.gz YWYPDYYBOOHUII-UHFFFAOYSA-N 2 2 345.256 2.477 10 0 EEAELP CCc1cc(NC[C@@H]2CCCN2c2cc(NC)[nH+]cn2)nc(C)[nH+]1 ZINC000272867164 256245205 /nfs/dbraw/zinc/24/52/05/256245205.db2.gz NBRVDFKIZSHTHM-AWEZNQCLSA-N 2 2 327.436 2.260 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000273068111 256262459 /nfs/dbraw/zinc/26/24/59/256262459.db2.gz ITSIBHASXASBFA-KRWDZBQOSA-N 2 2 329.444 2.314 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000273068111 256262460 /nfs/dbraw/zinc/26/24/60/256262460.db2.gz ITSIBHASXASBFA-KRWDZBQOSA-N 2 2 329.444 2.314 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1[nH+]ccn1CC(C)C ZINC000121567124 292265515 /nfs/dbraw/zinc/26/55/15/292265515.db2.gz VGIJHSKEIUOUAM-UHFFFAOYSA-N 2 2 332.452 2.276 10 0 EEAELP CCCn1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000354032477 153065140 /nfs/dbraw/zinc/06/51/40/153065140.db2.gz AQYGNGCMSZALJS-UHFFFAOYSA-N 2 2 333.524 2.284 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2COC)[C@H](C)C1 ZINC000081096999 159148527 /nfs/dbraw/zinc/14/85/27/159148527.db2.gz LEOZAHCWBFMXLE-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccccc2COC)[C@H](C)C1 ZINC000081096999 159148530 /nfs/dbraw/zinc/14/85/30/159148530.db2.gz LEOZAHCWBFMXLE-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccccc2COC)[C@H](C)C1 ZINC000081096999 159148532 /nfs/dbraw/zinc/14/85/32/159148532.db2.gz LEOZAHCWBFMXLE-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccccc2COC)[C@H](C)C1 ZINC000081096999 159148535 /nfs/dbraw/zinc/14/85/35/159148535.db2.gz LEOZAHCWBFMXLE-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245427442 160233835 /nfs/dbraw/zinc/23/38/35/160233835.db2.gz MAMMHTCSSXKDJE-HKUYNNGSSA-N 2 2 347.503 2.152 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245427442 160233836 /nfs/dbraw/zinc/23/38/36/160233836.db2.gz MAMMHTCSSXKDJE-HKUYNNGSSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245427442 160233837 /nfs/dbraw/zinc/23/38/37/160233837.db2.gz MAMMHTCSSXKDJE-HKUYNNGSSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245427442 160233838 /nfs/dbraw/zinc/23/38/38/160233838.db2.gz MAMMHTCSSXKDJE-HKUYNNGSSA-N 2 2 347.503 2.152 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)CN3C[C@@H]4CCC[N@H+]4C[C@H]3C)c2cc1C ZINC000247484691 160326463 /nfs/dbraw/zinc/32/64/63/160326463.db2.gz SYZXIFBXPGEOIX-FGTMMUONSA-N 2 2 342.487 2.183 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)CN3C[C@@H]4CCC[N@@H+]4C[C@H]3C)c2cc1C ZINC000247484691 160326466 /nfs/dbraw/zinc/32/64/66/160326466.db2.gz SYZXIFBXPGEOIX-FGTMMUONSA-N 2 2 342.487 2.183 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000343505447 161142281 /nfs/dbraw/zinc/14/22/81/161142281.db2.gz FCIMFFVAYBTVLN-RGCFKVTRSA-N 2 2 327.472 2.248 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000343505447 161142282 /nfs/dbraw/zinc/14/22/82/161142282.db2.gz FCIMFFVAYBTVLN-RGCFKVTRSA-N 2 2 327.472 2.248 10 0 EEAELP COC(=O)[C@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346313887 161361993 /nfs/dbraw/zinc/36/19/93/161361993.db2.gz HIJHQKBXEYYFJS-DZGCQCFKSA-N 2 2 335.429 2.086 10 0 EEAELP COC(=O)[C@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346313887 161361994 /nfs/dbraw/zinc/36/19/94/161361994.db2.gz HIJHQKBXEYYFJS-DZGCQCFKSA-N 2 2 335.429 2.086 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N1CCn2cc(C)[nH+]c2C1)CC(C)C ZINC000367794681 166004515 /nfs/dbraw/zinc/00/45/15/166004515.db2.gz MBUNJEFKHRHWGW-MRXNPFEDSA-N 2 2 335.496 2.473 10 0 EEAELP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)CC1 ZINC000375852350 167212823 /nfs/dbraw/zinc/21/28/23/167212823.db2.gz NPLRZKDMLFUKAK-LJQANCHMSA-N 2 2 339.487 2.324 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC[N@@H+]1C ZINC000279300868 269268749 /nfs/dbraw/zinc/26/87/49/269268749.db2.gz ZWPYHOPBCHVTMG-HEHGZKQESA-N 2 2 339.430 2.414 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC[N@H+]1C ZINC000279300868 269268751 /nfs/dbraw/zinc/26/87/51/269268751.db2.gz ZWPYHOPBCHVTMG-HEHGZKQESA-N 2 2 339.430 2.414 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292208836 275394405 /nfs/dbraw/zinc/39/44/05/275394405.db2.gz TVNPQGSJXXHNIK-PXNSSMCTSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292208836 275394407 /nfs/dbraw/zinc/39/44/07/275394407.db2.gz TVNPQGSJXXHNIK-PXNSSMCTSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292208836 275394409 /nfs/dbraw/zinc/39/44/09/275394409.db2.gz TVNPQGSJXXHNIK-PXNSSMCTSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292208836 275394412 /nfs/dbraw/zinc/39/44/12/275394412.db2.gz TVNPQGSJXXHNIK-PXNSSMCTSA-N 2 2 329.488 2.070 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000348701224 276224210 /nfs/dbraw/zinc/22/42/10/276224210.db2.gz PMBZDDOBQOTTQB-JSGCOSHPSA-N 2 2 336.505 2.232 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000348701224 276224211 /nfs/dbraw/zinc/22/42/11/276224211.db2.gz PMBZDDOBQOTTQB-JSGCOSHPSA-N 2 2 336.505 2.232 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000348701224 276224212 /nfs/dbraw/zinc/22/42/12/276224212.db2.gz PMBZDDOBQOTTQB-JSGCOSHPSA-N 2 2 336.505 2.232 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000348701224 276224214 /nfs/dbraw/zinc/22/42/14/276224214.db2.gz PMBZDDOBQOTTQB-JSGCOSHPSA-N 2 2 336.505 2.232 10 0 EEAELP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000330157871 311729715 /nfs/dbraw/zinc/72/97/15/311729715.db2.gz ZMMGAONWTXPFHI-WMLDXEAASA-N 2 2 342.447 2.309 10 0 EEAELP Cn1c[nH+]cc1CCc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000350042890 312313097 /nfs/dbraw/zinc/31/30/97/312313097.db2.gz AQGWUWADBVPGIV-UHFFFAOYSA-N 2 2 329.379 2.456 10 0 EEAELP CN(CC1CC1)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352814857 312386794 /nfs/dbraw/zinc/38/67/94/312386794.db2.gz IPEFDHRPEPLDJB-NRFANRHFSA-N 2 2 341.499 2.453 10 0 EEAELP CN(CC1CC1)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352814857 312386795 /nfs/dbraw/zinc/38/67/95/312386795.db2.gz IPEFDHRPEPLDJB-NRFANRHFSA-N 2 2 341.499 2.453 10 0 EEAELP CN(CC1CC1)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352814857 312386798 /nfs/dbraw/zinc/38/67/98/312386798.db2.gz IPEFDHRPEPLDJB-NRFANRHFSA-N 2 2 341.499 2.453 10 0 EEAELP CN(CC1CC1)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352814857 312386800 /nfs/dbraw/zinc/38/68/00/312386800.db2.gz IPEFDHRPEPLDJB-NRFANRHFSA-N 2 2 341.499 2.453 10 0 EEAELP [NH3+]CC[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(F)F ZINC000414732147 313071852 /nfs/dbraw/zinc/07/18/52/313071852.db2.gz GDMBVNOCWHFWPZ-NSHDSACASA-N 2 2 347.435 2.233 10 0 EEAELP Cc1ccc([C@H]([NH2+]C[C@H]([NH3+])CC(C)C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000414759935 313078378 /nfs/dbraw/zinc/07/83/78/313078378.db2.gz GGPWRUGVHRJDOQ-DJIMGWMZSA-N 2 2 326.506 2.432 10 0 EEAELP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416947415 313369261 /nfs/dbraw/zinc/36/92/61/313369261.db2.gz YAZUQPRDWVYYQN-RISCZKNCSA-N 2 2 335.839 2.399 10 0 EEAELP Cc1ccc(OC[C@@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000521227714 316902163 /nfs/dbraw/zinc/90/21/63/316902163.db2.gz YMACITBELRZCQS-KRWDZBQOSA-N 2 2 329.444 2.100 10 0 EEAELP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)ccn1 ZINC000527646882 317235814 /nfs/dbraw/zinc/23/58/14/317235814.db2.gz RJRKFPNKXBRUIZ-UHFFFAOYSA-N 2 2 341.455 2.391 10 0 EEAELP COC(=O)c1cc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c(C)o1 ZINC000535369466 317969458 /nfs/dbraw/zinc/96/94/58/317969458.db2.gz AVWCUECVHUORSO-UHFFFAOYSA-N 2 2 329.400 2.400 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C1=O ZINC000543087787 318150786 /nfs/dbraw/zinc/15/07/86/318150786.db2.gz VOZFNAPPRGJCHQ-IRXDYDNUSA-N 2 2 342.418 2.327 10 0 EEAELP C[C@H](Cc1ccsc1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000544024216 318178627 /nfs/dbraw/zinc/17/86/27/318178627.db2.gz VGKNPRIFZKCZRH-CQSZACIVSA-N 2 2 331.489 2.357 10 0 EEAELP CC(C)[NH+]1CCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000545949842 318235197 /nfs/dbraw/zinc/23/51/97/318235197.db2.gz SLUFTDLGSRHCEU-OAHLLOKOSA-N 2 2 341.459 2.430 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000547363280 318282170 /nfs/dbraw/zinc/28/21/70/318282170.db2.gz WHRRIAJRNBFDNM-YCPHGPKFSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000547363280 318282172 /nfs/dbraw/zinc/28/21/72/318282172.db2.gz WHRRIAJRNBFDNM-YCPHGPKFSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000564986060 319136074 /nfs/dbraw/zinc/13/60/74/319136074.db2.gz DIDXHSUIXJJERW-DOXZYTNZSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000564986060 319136075 /nfs/dbraw/zinc/13/60/75/319136075.db2.gz DIDXHSUIXJJERW-DOXZYTNZSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccncc1Cl ZINC000565827388 319217994 /nfs/dbraw/zinc/21/79/94/319217994.db2.gz AZGQVILBBOWRFR-WFASDCNBSA-N 2 2 347.850 2.310 10 0 EEAELP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000569854661 319614874 /nfs/dbraw/zinc/61/48/74/319614874.db2.gz HVUQUWKARCRDKB-IRXDYDNUSA-N 2 2 347.503 2.261 10 0 EEAELP CCc1nc(C)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000575887648 320123246 /nfs/dbraw/zinc/12/32/46/320123246.db2.gz GCTBLMKFXUMKOR-UHFFFAOYSA-N 2 2 348.491 2.226 10 0 EEAELP CN(C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@H](C[NH3+])C1CC1 ZINC000576368610 320166389 /nfs/dbraw/zinc/16/63/89/320166389.db2.gz FOWIBJUUECFTGG-CQSZACIVSA-N 2 2 337.493 2.330 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000576432610 320170993 /nfs/dbraw/zinc/17/09/93/320170993.db2.gz GDKQYFQXZWVNKX-MRXNPFEDSA-N 2 2 337.431 2.059 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000576432610 320170994 /nfs/dbraw/zinc/17/09/94/320170994.db2.gz GDKQYFQXZWVNKX-MRXNPFEDSA-N 2 2 337.431 2.059 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000580152862 324000821 /nfs/dbraw/zinc/00/08/21/324000821.db2.gz YVQSLCFABCDKHY-RDJZCZTQSA-N 2 2 326.444 2.304 10 0 EEAELP CCn1c2ccc(F)cc2nc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000581492003 324265014 /nfs/dbraw/zinc/26/50/14/324265014.db2.gz QBXULCZYTFVLFP-CQSZACIVSA-N 2 2 346.450 2.383 10 0 EEAELP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000581492003 324265017 /nfs/dbraw/zinc/26/50/17/324265017.db2.gz QBXULCZYTFVLFP-CQSZACIVSA-N 2 2 346.450 2.383 10 0 EEAELP C[NH+](C)C1(CNc2nc3ccccc3n3c[nH+]cc23)CCOCC1 ZINC000623970842 450655697 /nfs/dbraw/zinc/65/56/97/450655697.db2.gz BOTFJWDUKUWUAP-UHFFFAOYSA-N 2 2 325.416 2.405 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627069745 451110282 /nfs/dbraw/zinc/11/02/82/451110282.db2.gz RXPONQZLDYYBFR-CABCVRRESA-N 2 2 348.495 2.008 10 0 EEAELP Cc1cc(NCCNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000627179581 451169016 /nfs/dbraw/zinc/16/90/16/451169016.db2.gz XGDAKSWLKLSJNI-HIFRSBDPSA-N 2 2 348.495 2.089 10 0 EEAELP C[NH+](C)Cc1cnc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)s1 ZINC000347645042 465145829 /nfs/dbraw/zinc/14/58/29/465145829.db2.gz DGJDWZVUJTWPGK-UHFFFAOYSA-N 2 2 336.505 2.039 10 0 EEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114822433 462684361 /nfs/dbraw/zinc/68/43/61/462684361.db2.gz IBKLADRRTCKLMY-DLBZAZTESA-N 2 2 347.507 2.200 10 0 EEAELP COc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000075139346 462685344 /nfs/dbraw/zinc/68/53/44/462685344.db2.gz RJWUTWMJSAHTDX-INIZCTEOSA-N 2 2 346.475 2.327 10 0 EEAELP COc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000075139346 462685349 /nfs/dbraw/zinc/68/53/49/462685349.db2.gz RJWUTWMJSAHTDX-INIZCTEOSA-N 2 2 346.475 2.327 10 0 EEAELP CC(C)c1cc(N2CCC[N@H+](CC(=O)N(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000090070571 462773119 /nfs/dbraw/zinc/77/31/19/462773119.db2.gz XESJVUMKWANFBV-UHFFFAOYSA-N 2 2 347.507 2.324 10 0 EEAELP CC(C)c1cc(N2CCC[N@@H+](CC(=O)N(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000090070571 462773125 /nfs/dbraw/zinc/77/31/25/462773125.db2.gz XESJVUMKWANFBV-UHFFFAOYSA-N 2 2 347.507 2.324 10 0 EEAELP CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000090410493 462789234 /nfs/dbraw/zinc/78/92/34/462789234.db2.gz SVNHQGSOWSPFKT-GDBMZVCRSA-N 2 2 327.432 2.327 10 0 EEAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000066179562 462860511 /nfs/dbraw/zinc/86/05/11/462860511.db2.gz SHJYRUZVQNMSDT-OAHLLOKOSA-N 2 2 333.480 2.080 10 0 EEAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000066179562 462860515 /nfs/dbraw/zinc/86/05/15/462860515.db2.gz SHJYRUZVQNMSDT-OAHLLOKOSA-N 2 2 333.480 2.080 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000052102208 463063069 /nfs/dbraw/zinc/06/30/69/463063069.db2.gz FBMIXUKJUWANLF-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000052102208 463063073 /nfs/dbraw/zinc/06/30/73/463063073.db2.gz FBMIXUKJUWANLF-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(OC(F)F)cc1 ZINC000521876168 468337731 /nfs/dbraw/zinc/33/77/31/468337731.db2.gz OACCLQQHCMUBJH-KRWDZBQOSA-N 2 2 339.386 2.302 10 0 EEAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(OC(F)F)cc1 ZINC000521876168 468337735 /nfs/dbraw/zinc/33/77/35/468337735.db2.gz OACCLQQHCMUBJH-KRWDZBQOSA-N 2 2 339.386 2.302 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000139539577 463327173 /nfs/dbraw/zinc/32/71/73/463327173.db2.gz MZJOBCOAWDUHSD-KRWDZBQOSA-N 2 2 345.491 2.355 10 0 EEAELP C[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000139539577 463327180 /nfs/dbraw/zinc/32/71/80/463327180.db2.gz MZJOBCOAWDUHSD-KRWDZBQOSA-N 2 2 345.491 2.355 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C2CC2)o1 ZINC000123514632 463347382 /nfs/dbraw/zinc/34/73/82/463347382.db2.gz YFZVDGDJYHDHHI-PBHICJAKSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C2CC2)o1 ZINC000123514632 463347386 /nfs/dbraw/zinc/34/73/86/463347386.db2.gz YFZVDGDJYHDHHI-PBHICJAKSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C2CC2)o1 ZINC000123514632 463347390 /nfs/dbraw/zinc/34/73/90/463347390.db2.gz YFZVDGDJYHDHHI-PBHICJAKSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C2CC2)o1 ZINC000123514632 463347393 /nfs/dbraw/zinc/34/73/93/463347393.db2.gz YFZVDGDJYHDHHI-PBHICJAKSA-N 2 2 333.476 2.494 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@H](C)C1 ZINC000081096448 463393977 /nfs/dbraw/zinc/39/39/77/463393977.db2.gz QONSZMQOUPDDQY-ZIAGYGMSSA-N 2 2 337.430 2.448 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@H](C)C1 ZINC000081096448 463393982 /nfs/dbraw/zinc/39/39/82/463393982.db2.gz QONSZMQOUPDDQY-ZIAGYGMSSA-N 2 2 337.430 2.448 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@H](C)C1 ZINC000081096448 463393987 /nfs/dbraw/zinc/39/39/87/463393987.db2.gz QONSZMQOUPDDQY-ZIAGYGMSSA-N 2 2 337.430 2.448 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@H](C)C1 ZINC000081096448 463393991 /nfs/dbraw/zinc/39/39/91/463393991.db2.gz QONSZMQOUPDDQY-ZIAGYGMSSA-N 2 2 337.430 2.448 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000105897632 463492729 /nfs/dbraw/zinc/49/27/29/463492729.db2.gz QVUDCTXJDRVZMY-LBPRGKRZSA-N 2 2 332.370 2.103 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000105897632 463492735 /nfs/dbraw/zinc/49/27/35/463492735.db2.gz QVUDCTXJDRVZMY-LBPRGKRZSA-N 2 2 332.370 2.103 10 0 EEAELP Cn1cc[nH+]c1CN1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000105930418 463499525 /nfs/dbraw/zinc/49/95/25/463499525.db2.gz SCJVFYUEEVVCIL-UHFFFAOYSA-N 2 2 342.487 2.187 10 0 EEAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000072860099 463555542 /nfs/dbraw/zinc/55/55/42/463555542.db2.gz IOWGZGVNWKFTHH-CCLIWJKGSA-N 2 2 333.520 2.345 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000072860099 463555548 /nfs/dbraw/zinc/55/55/48/463555548.db2.gz IOWGZGVNWKFTHH-CCLIWJKGSA-N 2 2 333.520 2.345 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000072860099 463555552 /nfs/dbraw/zinc/55/55/52/463555552.db2.gz IOWGZGVNWKFTHH-CCLIWJKGSA-N 2 2 333.520 2.345 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000072860099 463555557 /nfs/dbraw/zinc/55/55/57/463555557.db2.gz IOWGZGVNWKFTHH-CCLIWJKGSA-N 2 2 333.520 2.345 10 0 EEAELP C[N@@H+]1CCC[C@H](CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000108547613 463613510 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2.254 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261990230 463919004 /nfs/dbraw/zinc/91/90/04/463919004.db2.gz SPWULUCEEPXQJJ-APAFKAMOSA-N 3 2 337.552 2.490 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261990230 463919006 /nfs/dbraw/zinc/91/90/06/463919006.db2.gz SPWULUCEEPXQJJ-APAFKAMOSA-N 3 2 337.552 2.490 10 0 EEAELP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285147 464031108 /nfs/dbraw/zinc/03/11/08/464031108.db2.gz ULKQHXXLKCHKGD-FUHWJXTLSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285147 464031113 /nfs/dbraw/zinc/03/11/13/464031113.db2.gz ULKQHXXLKCHKGD-FUHWJXTLSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285147 464031116 /nfs/dbraw/zinc/03/11/16/464031116.db2.gz ULKQHXXLKCHKGD-FUHWJXTLSA-N 2 2 332.492 2.092 10 0 EEAELP 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VUSBTYLBUSXIFD-HDICACEKSA-N 2 2 346.438 2.231 10 0 EEAELP c1cn(-c2ccc(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)nn2)c[nH+]1 ZINC000409430470 466688687 /nfs/dbraw/zinc/68/86/87/466688687.db2.gz VUSBTYLBUSXIFD-HDICACEKSA-N 2 2 346.438 2.231 10 0 EEAELP c1ccc(N2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000423091047 466691485 /nfs/dbraw/zinc/69/14/85/466691485.db2.gz ZBNNTZXCVKAOEH-AHRSYUTCSA-N 2 2 329.488 2.260 10 0 EEAELP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423247210 466703641 /nfs/dbraw/zinc/70/36/41/466703641.db2.gz QHPFEQBYIPVOEB-SUMWQHHRSA-N 2 2 333.457 2.409 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370272027 466820358 /nfs/dbraw/zinc/82/03/58/466820358.db2.gz AQLYBYJQWWGJNV-UHFFFAOYSA-N 2 2 330.436 2.284 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370272027 466820363 /nfs/dbraw/zinc/82/03/63/466820363.db2.gz AQLYBYJQWWGJNV-UHFFFAOYSA-N 2 2 330.436 2.284 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412032449 466972156 /nfs/dbraw/zinc/97/21/56/466972156.db2.gz CDSPNLPXJHXNFM-CVEARBPZSA-N 2 2 330.476 2.239 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412032449 466972159 /nfs/dbraw/zinc/97/21/59/466972159.db2.gz CDSPNLPXJHXNFM-CVEARBPZSA-N 2 2 330.476 2.239 10 0 EEAELP O=C(NCCC[NH2+]Cc1cccnc1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000418322357 467092346 /nfs/dbraw/zinc/09/23/46/467092346.db2.gz CRCHIQGGKZSESO-MRXNPFEDSA-N 2 2 342.447 2.221 10 0 EEAELP Cc1ccc(CCC[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c[nH+]1 ZINC000428290803 467219974 /nfs/dbraw/zinc/21/99/74/467219974.db2.gz ZXUVZFDDLTXVRA-IBGZPJMESA-N 2 2 345.487 2.426 10 0 EEAELP Cc1ccc(CCC[N@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)c[nH+]1 ZINC000428290803 467219979 /nfs/dbraw/zinc/21/99/79/467219979.db2.gz ZXUVZFDDLTXVRA-IBGZPJMESA-N 2 2 345.487 2.426 10 0 EEAELP Cc1ccc(C)c(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000432883020 467272010 /nfs/dbraw/zinc/27/20/10/467272010.db2.gz FZSOULTWEMRGIW-UHFFFAOYSA-N 2 2 339.487 2.477 10 0 EEAELP Cc1ccc(C)c(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000432883020 467272013 /nfs/dbraw/zinc/27/20/13/467272013.db2.gz FZSOULTWEMRGIW-UHFFFAOYSA-N 2 2 339.487 2.477 10 0 EEAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000414128402 467380280 /nfs/dbraw/zinc/38/02/80/467380280.db2.gz UAIRSDFPVWYFKB-VXGBXAGGSA-N 2 2 342.281 2.072 10 0 EEAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000414128402 467380283 /nfs/dbraw/zinc/38/02/83/467380283.db2.gz UAIRSDFPVWYFKB-VXGBXAGGSA-N 2 2 342.281 2.072 10 0 EEAELP O=C1[C@@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420375572 467384686 /nfs/dbraw/zinc/38/46/86/467384686.db2.gz OLVJBKGCUXPKKG-PKOBYXMFSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420375572 467384687 /nfs/dbraw/zinc/38/46/87/467384687.db2.gz OLVJBKGCUXPKKG-PKOBYXMFSA-N 2 2 331.435 2.397 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000386250680 467389232 /nfs/dbraw/zinc/38/92/32/467389232.db2.gz DAJOJYQKRRXADV-GHRYLNIYSA-N 3 2 343.515 2.254 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000386250680 467389237 /nfs/dbraw/zinc/38/92/37/467389237.db2.gz DAJOJYQKRRXADV-GHRYLNIYSA-N 3 2 343.515 2.254 10 0 EEAELP COC(=O)C[NH+]1CCC(Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000435038612 467442933 /nfs/dbraw/zinc/44/29/33/467442933.db2.gz UOUCBWGDIRFHSV-QGZVFWFLSA-N 2 2 347.459 2.121 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000448549423 467592703 /nfs/dbraw/zinc/59/27/03/467592703.db2.gz RJDVKVNOUBZBNK-SOLBZPMBSA-N 2 2 331.460 2.107 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000448549423 467592704 /nfs/dbraw/zinc/59/27/04/467592704.db2.gz RJDVKVNOUBZBNK-SOLBZPMBSA-N 2 2 331.460 2.107 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000528918140 467777385 /nfs/dbraw/zinc/77/73/85/467777385.db2.gz IQMLJALIEYAFCC-NVXWUHKLSA-N 2 2 332.835 2.407 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000528918140 467777391 /nfs/dbraw/zinc/77/73/91/467777391.db2.gz IQMLJALIEYAFCC-NVXWUHKLSA-N 2 2 332.835 2.407 10 0 EEAELP CO[C@@H](C)c1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530241315 467967193 /nfs/dbraw/zinc/96/71/93/467967193.db2.gz QAHATMKZGHZDFG-BBRMVZONSA-N 2 2 339.505 2.441 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000531631526 468066187 /nfs/dbraw/zinc/06/61/87/468066187.db2.gz YVKUPRLYNLJAIX-HUUCEWRRSA-N 2 2 329.448 2.396 10 0 EEAELP C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H]1CCC[NH+](C)C1 ZINC000533293850 468187507 /nfs/dbraw/zinc/18/75/07/468187507.db2.gz WXNRUPIITSAZJU-HWWITLHISA-N 2 2 333.520 2.345 10 0 EEAELP C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H]1CCC[NH+](C)C1 ZINC000533293850 468187513 /nfs/dbraw/zinc/18/75/13/468187513.db2.gz WXNRUPIITSAZJU-HWWITLHISA-N 2 2 333.520 2.345 10 0 EEAELP C[NH+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H]1CCC[N@H+](C)C1 ZINC000533293850 468187518 /nfs/dbraw/zinc/18/75/18/468187518.db2.gz WXNRUPIITSAZJU-HWWITLHISA-N 2 2 333.520 2.345 10 0 EEAELP C[NH+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000533293850 468187523 /nfs/dbraw/zinc/18/75/23/468187523.db2.gz WXNRUPIITSAZJU-HWWITLHISA-N 2 2 333.520 2.345 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](C)S(C)(=O)=O)c(C)c1 ZINC000578759831 468253905 /nfs/dbraw/zinc/25/39/05/468253905.db2.gz MDZDUKOZPWCIDJ-NVXWUHKLSA-N 2 2 335.473 2.264 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000570222464 468606908 /nfs/dbraw/zinc/60/69/08/468606908.db2.gz AKOJUTPZLZRWQO-NVXWUHKLSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000570222464 468606911 /nfs/dbraw/zinc/60/69/11/468606911.db2.gz AKOJUTPZLZRWQO-NVXWUHKLSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000570222464 468606916 /nfs/dbraw/zinc/60/69/16/468606916.db2.gz AKOJUTPZLZRWQO-NVXWUHKLSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000570222464 468606919 /nfs/dbraw/zinc/60/69/19/468606919.db2.gz AKOJUTPZLZRWQO-NVXWUHKLSA-N 2 2 326.868 2.068 10 0 EEAELP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H]1CCCCO1 ZINC000594611992 468636830 /nfs/dbraw/zinc/63/68/30/468636830.db2.gz RUSQZCCAKJLJHR-SJORKVTESA-N 2 2 326.481 2.341 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000570659026 468673129 /nfs/dbraw/zinc/67/31/29/468673129.db2.gz WYFSIJVGHICYHA-SFHVURJKSA-N 2 2 344.434 2.273 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000570659026 468673132 /nfs/dbraw/zinc/67/31/32/468673132.db2.gz WYFSIJVGHICYHA-SFHVURJKSA-N 2 2 344.434 2.273 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000584719278 468920988 /nfs/dbraw/zinc/92/09/88/468920988.db2.gz NAOQDSVOYLJXTM-YOEHRIQHSA-N 2 2 341.377 2.107 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000584719278 468920991 /nfs/dbraw/zinc/92/09/91/468920991.db2.gz NAOQDSVOYLJXTM-YOEHRIQHSA-N 2 2 341.377 2.107 10 0 EEAELP COC(=O)c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)n2c1CCCC2 ZINC000598629080 468938419 /nfs/dbraw/zinc/93/84/19/468938419.db2.gz CEOTUJHXWTVLJW-UHFFFAOYSA-N 2 2 331.460 2.327 10 0 EEAELP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000562603622 469002656 /nfs/dbraw/zinc/00/26/56/469002656.db2.gz XBAPDULZCMHPCM-OWLYRPNTSA-N 2 2 336.501 2.205 10 0 EEAELP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000562603622 469002661 /nfs/dbraw/zinc/00/26/61/469002661.db2.gz XBAPDULZCMHPCM-OWLYRPNTSA-N 2 2 336.501 2.205 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985894 469458423 /nfs/dbraw/zinc/45/84/23/469458423.db2.gz LZPGVHSKTMBMGD-QZTJIDSGSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985894 469458425 /nfs/dbraw/zinc/45/84/25/469458425.db2.gz LZPGVHSKTMBMGD-QZTJIDSGSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985894 469458426 /nfs/dbraw/zinc/45/84/26/469458426.db2.gz LZPGVHSKTMBMGD-QZTJIDSGSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985894 469458427 /nfs/dbraw/zinc/45/84/27/469458427.db2.gz LZPGVHSKTMBMGD-QZTJIDSGSA-N 2 2 338.467 2.333 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](CCn1cncn1)c1ccc(OC)cc1 ZINC000629527229 469572681 /nfs/dbraw/zinc/57/26/81/469572681.db2.gz OTAXAGSRUAQQCQ-OKZBNKHCSA-N 2 2 329.448 2.148 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428772 469654237 /nfs/dbraw/zinc/65/42/37/469654237.db2.gz ZZPUJIWTHHPKKV-AABGKKOBSA-N 3 2 345.531 2.332 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428772 469654241 /nfs/dbraw/zinc/65/42/41/469654241.db2.gz ZZPUJIWTHHPKKV-AABGKKOBSA-N 3 2 345.531 2.332 10 0 EEAELP C[NH+]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428772 469654243 /nfs/dbraw/zinc/65/42/43/469654243.db2.gz ZZPUJIWTHHPKKV-AABGKKOBSA-N 3 2 345.531 2.332 10 0 EEAELP C[NH+]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428772 469654248 /nfs/dbraw/zinc/65/42/48/469654248.db2.gz ZZPUJIWTHHPKKV-AABGKKOBSA-N 3 2 345.531 2.332 10 0 EEAELP Cc1oc2ccccc2c1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764897 469796167 /nfs/dbraw/zinc/79/61/67/469796167.db2.gz KWONYFCPZATSMF-UHFFFAOYSA-N 2 2 331.460 2.283 10 0 EEAELP Cc1oc2ccccc2c1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764897 469796169 /nfs/dbraw/zinc/79/61/69/469796169.db2.gz KWONYFCPZATSMF-UHFFFAOYSA-N 2 2 331.460 2.283 10 0 EEAELP Cc1cc(OCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000617768696 469799292 /nfs/dbraw/zinc/79/92/92/469799292.db2.gz QQRZSALAIKXDFH-UHFFFAOYSA-N 2 2 341.883 2.027 10 0 EEAELP Cc1cc(OCC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000617768696 469799294 /nfs/dbraw/zinc/79/92/94/469799294.db2.gz QQRZSALAIKXDFH-UHFFFAOYSA-N 2 2 341.883 2.027 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000608313610 469801249 /nfs/dbraw/zinc/80/12/49/469801249.db2.gz CQTIFKZTZHHGRF-MRXNPFEDSA-N 2 2 343.431 2.053 10 0 EEAELP C1=CC[NH+]([C@H]2CCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)C1 ZINC000623997400 469814921 /nfs/dbraw/zinc/81/49/21/469814921.db2.gz LPFPXICLGYIJMQ-SFHVURJKSA-N 2 2 333.439 2.447 10 0 EEAELP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)n1cccn1 ZINC000624045364 469824830 /nfs/dbraw/zinc/82/48/30/469824830.db2.gz GMKLANNGXXMLDQ-CABCVRRESA-N 2 2 346.397 2.220 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@@H+]1C ZINC000608656996 469855175 /nfs/dbraw/zinc/85/51/75/469855175.db2.gz SCFNYZOQFAAKKL-YJBOKZPZSA-N 2 2 330.476 2.126 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@H+]1C ZINC000608656996 469855180 /nfs/dbraw/zinc/85/51/80/469855180.db2.gz SCFNYZOQFAAKKL-YJBOKZPZSA-N 2 2 330.476 2.126 10 0 EEAELP C[C@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@@H+]1CC(C)(C)O ZINC000624144566 469855643 /nfs/dbraw/zinc/85/56/43/469855643.db2.gz VKDMPJQJKYRVRC-AWEZNQCLSA-N 2 2 339.443 2.164 10 0 EEAELP C[C@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@H+]1CC(C)(C)O ZINC000624144566 469855647 /nfs/dbraw/zinc/85/56/47/469855647.db2.gz VKDMPJQJKYRVRC-AWEZNQCLSA-N 2 2 339.443 2.164 10 0 EEAELP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624338682 469908989 /nfs/dbraw/zinc/90/89/89/469908989.db2.gz AGOLAHBRINGEEP-OCCSQVGLSA-N 2 2 327.266 2.475 10 0 EEAELP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624338682 469908992 /nfs/dbraw/zinc/90/89/92/469908992.db2.gz AGOLAHBRINGEEP-OCCSQVGLSA-N 2 2 327.266 2.475 10 0 EEAELP C[C@@H](CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C[NH+]1CCCC1 ZINC000630775256 469988390 /nfs/dbraw/zinc/98/83/90/469988390.db2.gz CDLNLTZVGGNMHR-INIZCTEOSA-N 2 2 326.444 2.263 10 0 EEAELP C[C@H](C[NH2+]Cc1ccnn1CCc1ccccc1)C[NH+]1CCOCC1 ZINC000621337241 470033406 /nfs/dbraw/zinc/03/34/06/470033406.db2.gz QZPYMYQIAVQXGN-GOSISDBHSA-N 2 2 342.487 2.184 10 0 EEAELP Cc1ncc(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628271761 470083722 /nfs/dbraw/zinc/08/37/22/470083722.db2.gz OTOAPWVQSJDMJJ-UHFFFAOYSA-N 2 2 328.460 2.233 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628271761 470083725 /nfs/dbraw/zinc/08/37/25/470083725.db2.gz OTOAPWVQSJDMJJ-UHFFFAOYSA-N 2 2 328.460 2.233 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)c[nH+]1 ZINC000628476746 470110750 /nfs/dbraw/zinc/11/07/50/470110750.db2.gz LDQBOYMVOSPSER-FQEVSTJZSA-N 2 2 340.471 2.208 10 0 EEAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000625332150 470121191 /nfs/dbraw/zinc/12/11/91/470121191.db2.gz FQJXFVPVXZNIFF-RBUKOAKNSA-N 2 2 334.504 2.399 10 0 EEAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000625332150 470121193 /nfs/dbraw/zinc/12/11/93/470121193.db2.gz FQJXFVPVXZNIFF-RBUKOAKNSA-N 2 2 334.504 2.399 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885522 470189221 /nfs/dbraw/zinc/18/92/21/470189221.db2.gz BJINEHXAAJYYOC-OCCSQVGLSA-N 2 2 341.908 2.434 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885522 470189222 /nfs/dbraw/zinc/18/92/22/470189222.db2.gz BJINEHXAAJYYOC-OCCSQVGLSA-N 2 2 341.908 2.434 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887161 470189474 /nfs/dbraw/zinc/18/94/74/470189474.db2.gz OFYSMZFWFJHCAY-SJLPKXTDSA-N 2 2 347.528 2.277 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887161 470189475 /nfs/dbraw/zinc/18/94/75/470189475.db2.gz OFYSMZFWFJHCAY-SJLPKXTDSA-N 2 2 347.528 2.277 10 0 EEAELP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645667256 470376078 /nfs/dbraw/zinc/37/60/78/470376078.db2.gz YJSGFWSEVMOOTB-HIFRSBDPSA-N 2 2 346.466 2.088 10 0 EEAELP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645667256 470376081 /nfs/dbraw/zinc/37/60/81/470376081.db2.gz YJSGFWSEVMOOTB-HIFRSBDPSA-N 2 2 346.466 2.088 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000646503497 470666599 /nfs/dbraw/zinc/66/65/99/470666599.db2.gz GNXZOFGWLIBEEZ-BBRMVZONSA-N 2 2 343.393 2.483 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000646503497 470666603 /nfs/dbraw/zinc/66/66/03/470666603.db2.gz GNXZOFGWLIBEEZ-BBRMVZONSA-N 2 2 343.393 2.483 10 0 EEAELP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)c2)CC1 ZINC000635813336 470766326 /nfs/dbraw/zinc/76/63/26/470766326.db2.gz ZNQLYELEVKFZIL-IAGOWNOFSA-N 2 2 339.443 2.294 10 0 EEAELP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)c2)CC1 ZINC000635813336 470766327 /nfs/dbraw/zinc/76/63/27/470766327.db2.gz ZNQLYELEVKFZIL-IAGOWNOFSA-N 2 2 339.443 2.294 10 0 EEAELP CC[N@H+](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)Cc1ccccc1Cl ZINC000646912182 470772818 /nfs/dbraw/zinc/77/28/18/470772818.db2.gz OSWSAHWNXCZMBF-WBVHZDCISA-N 2 2 335.879 2.324 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)Cc1ccccc1Cl ZINC000646912182 470772819 /nfs/dbraw/zinc/77/28/19/470772819.db2.gz OSWSAHWNXCZMBF-WBVHZDCISA-N 2 2 335.879 2.324 10 0 EEAELP CC[NH+](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)Cc1ccccc1Cl ZINC000646912182 470772824 /nfs/dbraw/zinc/77/28/24/470772824.db2.gz OSWSAHWNXCZMBF-WBVHZDCISA-N 2 2 335.879 2.324 10 0 EEAELP CC[NH+](CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21)Cc1ccccc1Cl ZINC000646912182 470772828 /nfs/dbraw/zinc/77/28/28/470772828.db2.gz OSWSAHWNXCZMBF-WBVHZDCISA-N 2 2 335.879 2.324 10 0 EEAELP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cn1 ZINC000647214053 470859525 /nfs/dbraw/zinc/85/95/25/470859525.db2.gz LKRJOQPVBKMROD-SFHVURJKSA-N 2 2 328.460 2.117 10 0 EEAELP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cn1 ZINC000647214053 470859528 /nfs/dbraw/zinc/85/95/28/470859528.db2.gz LKRJOQPVBKMROD-SFHVURJKSA-N 2 2 328.460 2.117 10 0 EEAELP CCc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000650876737 470991245 /nfs/dbraw/zinc/99/12/45/470991245.db2.gz FFYWYOGMIMXQSF-SFHVURJKSA-N 2 2 344.503 2.217 10 0 EEAELP CCc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000650876737 470991248 /nfs/dbraw/zinc/99/12/48/470991248.db2.gz FFYWYOGMIMXQSF-SFHVURJKSA-N 2 2 344.503 2.217 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899377 471010410 /nfs/dbraw/zinc/01/04/10/471010410.db2.gz IWTSZVAAWCHLOW-WBVHZDCISA-N 2 2 335.879 2.420 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899377 471010411 /nfs/dbraw/zinc/01/04/11/471010411.db2.gz IWTSZVAAWCHLOW-WBVHZDCISA-N 2 2 335.879 2.420 10 0 EEAELP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901836 471012663 /nfs/dbraw/zinc/01/26/63/471012663.db2.gz WIEOXGAHXNVFLV-HFTRVMKXSA-N 2 2 333.451 2.294 10 0 EEAELP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901836 471012664 /nfs/dbraw/zinc/01/26/64/471012664.db2.gz WIEOXGAHXNVFLV-HFTRVMKXSA-N 2 2 333.451 2.294 10 0 EEAELP COc1nsc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1Br ZINC000638358655 471056388 /nfs/dbraw/zinc/05/63/88/471056388.db2.gz ILCFOFDIOJKGRZ-SECBINFHSA-N 2 2 346.294 2.488 10 0 EEAELP COc1nsc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1Br ZINC000638358655 471056392 /nfs/dbraw/zinc/05/63/92/471056392.db2.gz ILCFOFDIOJKGRZ-SECBINFHSA-N 2 2 346.294 2.488 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000651239605 471100267 /nfs/dbraw/zinc/10/02/67/471100267.db2.gz VBKJGPQERNDCEX-KRWDZBQOSA-N 2 2 330.476 2.239 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1C1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651314521 471125057 /nfs/dbraw/zinc/12/50/57/471125057.db2.gz CCTBOKUFNMXKSU-GBESFXJTSA-N 2 2 333.520 2.440 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1C1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651314521 471125059 /nfs/dbraw/zinc/12/50/59/471125059.db2.gz CCTBOKUFNMXKSU-GBESFXJTSA-N 2 2 333.520 2.440 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)n1 ZINC000657800692 471235472 /nfs/dbraw/zinc/23/54/72/471235472.db2.gz IDBKIICZCVOQSM-GOSISDBHSA-N 2 2 340.471 2.001 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)n1 ZINC000657800692 471235473 /nfs/dbraw/zinc/23/54/73/471235473.db2.gz IDBKIICZCVOQSM-GOSISDBHSA-N 2 2 340.471 2.001 10 0 EEAELP c1cc(N2CC[NH+](CCC[NH2+][C@@H]3CCCSCC3)CC2)cc[nH+]1 ZINC000657863590 471242433 /nfs/dbraw/zinc/24/24/33/471242433.db2.gz LCMMCQFTWBMBJO-QGZVFWFLSA-N 3 2 334.533 2.469 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccco1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652143056 471243778 /nfs/dbraw/zinc/24/37/78/471243778.db2.gz MICUTESVQCMYQV-UHFFFAOYSA-N 2 2 344.459 2.335 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652143056 471243781 /nfs/dbraw/zinc/24/37/81/471243781.db2.gz MICUTESVQCMYQV-UHFFFAOYSA-N 2 2 344.459 2.335 10 0 EEAELP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000658340847 471289781 /nfs/dbraw/zinc/28/97/81/471289781.db2.gz FCNLINUQSZUVSZ-AABGKKOBSA-N 2 2 331.504 2.207 10 0 EEAELP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000658340847 471289785 /nfs/dbraw/zinc/28/97/85/471289785.db2.gz FCNLINUQSZUVSZ-AABGKKOBSA-N 2 2 331.504 2.207 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000658344145 471291163 /nfs/dbraw/zinc/29/11/63/471291163.db2.gz UWBYUBIUYLHAPW-GOSISDBHSA-N 2 2 337.458 2.480 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CC(CF)(CF)C2)C1 ZINC000658344145 471291166 /nfs/dbraw/zinc/29/11/66/471291166.db2.gz UWBYUBIUYLHAPW-GOSISDBHSA-N 2 2 337.458 2.480 10 0 EEAELP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000663343759 471333755 /nfs/dbraw/zinc/33/37/55/471333755.db2.gz DSDOIBMPPPLNNV-QGZVFWFLSA-N 3 2 325.460 2.479 10 0 EEAELP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000663343759 471333758 /nfs/dbraw/zinc/33/37/58/471333758.db2.gz DSDOIBMPPPLNNV-QGZVFWFLSA-N 3 2 325.460 2.479 10 0 EEAELP Cc1cc(CO)cc(NCc2ccc(C[NH+]3CCOCC3)cc2)[nH+]1 ZINC000663349611 471336137 /nfs/dbraw/zinc/33/61/37/471336137.db2.gz MQQKWYZHPMAIOL-UHFFFAOYSA-N 2 2 327.428 2.327 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1(c2ccccc2)CCC1 ZINC000663540418 471418004 /nfs/dbraw/zinc/41/80/04/471418004.db2.gz QEFKSOKKJQVVHN-UHFFFAOYSA-N 2 2 346.519 2.291 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1(c2ccccc2)CCC1 ZINC000663540418 471418012 /nfs/dbraw/zinc/41/80/12/471418012.db2.gz QEFKSOKKJQVVHN-UHFFFAOYSA-N 2 2 346.519 2.291 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000653123930 471500170 /nfs/dbraw/zinc/50/01/70/471500170.db2.gz LRMUWDFGAREQLA-UHFFFAOYSA-N 2 2 336.386 2.116 10 0 EEAELP CS(=O)(=O)CCC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660854563 471520218 /nfs/dbraw/zinc/52/02/18/471520218.db2.gz ZEIGAWHSPGGTJG-UHFFFAOYSA-N 2 2 335.473 2.252 10 0 EEAELP CC[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655911058 471533667 /nfs/dbraw/zinc/53/36/67/471533667.db2.gz ACGVIJMOBMJASL-ZDUSSCGKSA-N 2 2 332.370 2.092 10 0 EEAELP CC[N@@H+](CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655911058 471533671 /nfs/dbraw/zinc/53/36/71/471533671.db2.gz ACGVIJMOBMJASL-ZDUSSCGKSA-N 2 2 332.370 2.092 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])COC(C)C)cc1 ZINC000659288053 471568713 /nfs/dbraw/zinc/56/87/13/471568713.db2.gz QDDYCIOOUWKEHQ-DYVFJYSZSA-N 2 2 330.432 2.110 10 0 EEAELP Cc1cccnc1[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C(C)C ZINC000664134072 471649483 /nfs/dbraw/zinc/64/94/83/471649483.db2.gz CYAMFWJMBASYKP-KRWDZBQOSA-N 2 2 349.523 2.270 10 0 EEAELP Cc1cccnc1[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C(C)C ZINC000664134072 471649486 /nfs/dbraw/zinc/64/94/86/471649486.db2.gz CYAMFWJMBASYKP-KRWDZBQOSA-N 2 2 349.523 2.270 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000659640397 471708242 /nfs/dbraw/zinc/70/82/42/471708242.db2.gz UOHLPPMFXFHBBY-UONOGXRCSA-N 2 2 338.883 2.336 10 0 EEAELP CSc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000660012117 471826509 /nfs/dbraw/zinc/82/65/09/471826509.db2.gz LHAVOQLMBACZAK-KRWDZBQOSA-N 2 2 333.501 2.147 10 0 EEAELP CSc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000660012117 471826515 /nfs/dbraw/zinc/82/65/15/471826515.db2.gz LHAVOQLMBACZAK-KRWDZBQOSA-N 2 2 333.501 2.147 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(C(F)F)nc2)CC1 ZINC000667631350 471850809 /nfs/dbraw/zinc/85/08/09/471850809.db2.gz CXLVDMKLQCITBF-UHFFFAOYSA-N 2 2 341.406 2.167 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c2ncnn21 ZINC000665235972 471976245 /nfs/dbraw/zinc/97/62/45/471976245.db2.gz DRGGMLPPVLLSIG-OYUZRVEBSA-N 2 2 325.416 2.129 10 0 EEAELP FC(F)(F)c1csc([C@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662278263 472053055 /nfs/dbraw/zinc/05/30/55/472053055.db2.gz DHDBLFWOTBOPQE-WDEREUQCSA-N 2 2 335.395 2.330 10 0 EEAELP FC(F)(F)c1csc([C@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662278263 472053058 /nfs/dbraw/zinc/05/30/58/472053058.db2.gz DHDBLFWOTBOPQE-WDEREUQCSA-N 2 2 335.395 2.330 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319907 472069321 /nfs/dbraw/zinc/06/93/21/472069321.db2.gz QDXVCYSDOPBKKB-MJGOQNOKSA-N 2 2 347.503 2.076 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319907 472069327 /nfs/dbraw/zinc/06/93/27/472069327.db2.gz QDXVCYSDOPBKKB-MJGOQNOKSA-N 2 2 347.503 2.076 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000662320664 472070009 /nfs/dbraw/zinc/07/00/09/472070009.db2.gz IIQFFNFCQZWFNP-IBGZPJMESA-N 3 2 328.460 2.415 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000662320664 472070015 /nfs/dbraw/zinc/07/00/15/472070015.db2.gz IIQFFNFCQZWFNP-IBGZPJMESA-N 3 2 328.460 2.415 10 0 EEAELP C[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)Cn1cc[nH+]c1 ZINC000662687930 472207669 /nfs/dbraw/zinc/20/76/69/472207669.db2.gz KUZOURGWDJKZER-WMLDXEAASA-N 2 2 326.444 2.328 10 0 EEAELP [NH3+]C1(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000662729003 472225241 /nfs/dbraw/zinc/22/52/41/472225241.db2.gz YTJUSEOEMSVKJN-CQSZACIVSA-N 2 2 339.842 2.441 10 0 EEAELP [NH3+]C1(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000662729003 472225249 /nfs/dbraw/zinc/22/52/49/472225249.db2.gz YTJUSEOEMSVKJN-CQSZACIVSA-N 2 2 339.842 2.441 10 0 EEAELP COCCCOc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668741638 472250247 /nfs/dbraw/zinc/25/02/47/472250247.db2.gz WSQWDWWFNYJVBO-LJQANCHMSA-N 2 2 348.487 2.133 10 0 EEAELP COCCCOc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668741638 472250251 /nfs/dbraw/zinc/25/02/51/472250251.db2.gz WSQWDWWFNYJVBO-LJQANCHMSA-N 2 2 348.487 2.133 10 0 EEAELP [NH3+]C1(CC(=O)NCc2ccc(N3CCc4ccccc4C3)[nH+]c2)CC1 ZINC000662820785 472266616 /nfs/dbraw/zinc/26/66/16/472266616.db2.gz CLWGBNYZOOGCEG-UHFFFAOYSA-N 2 2 336.439 2.142 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(-c2ccccc2)on1 ZINC000666184357 472339421 /nfs/dbraw/zinc/33/94/21/472339421.db2.gz ANPGFZMBAGGGIU-UHFFFAOYSA-N 2 2 345.447 2.347 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(-c2ccccc2)on1 ZINC000666184357 472339427 /nfs/dbraw/zinc/33/94/27/472339427.db2.gz ANPGFZMBAGGGIU-UHFFFAOYSA-N 2 2 345.447 2.347 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000671799361 486003809 /nfs/dbraw/zinc/00/38/09/486003809.db2.gz JWGLJYRKPDLDTA-OAHLLOKOSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000671799361 486003812 /nfs/dbraw/zinc/00/38/12/486003812.db2.gz JWGLJYRKPDLDTA-OAHLLOKOSA-N 2 2 330.476 2.240 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCc2ccc(O)cc2CC1 ZINC000676682869 486280715 /nfs/dbraw/zinc/28/07/15/486280715.db2.gz WIAVRRBRWYOEGD-OAQYLSRUSA-N 2 2 340.467 2.286 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCc2ccc(O)cc2CC1 ZINC000676682869 486280719 /nfs/dbraw/zinc/28/07/19/486280719.db2.gz WIAVRRBRWYOEGD-OAQYLSRUSA-N 2 2 340.467 2.286 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000676682869 486280721 /nfs/dbraw/zinc/28/07/21/486280721.db2.gz WIAVRRBRWYOEGD-OAQYLSRUSA-N 2 2 340.467 2.286 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000676682869 486280724 /nfs/dbraw/zinc/28/07/24/486280724.db2.gz WIAVRRBRWYOEGD-OAQYLSRUSA-N 2 2 340.467 2.286 10 0 EEAELP CCc1cccc(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000676882810 486333527 /nfs/dbraw/zinc/33/35/27/486333527.db2.gz SZCLDMXVIGYGFW-GOSISDBHSA-N 2 2 329.488 2.076 10 0 EEAELP CCc1cccc(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000676882810 486333533 /nfs/dbraw/zinc/33/35/33/486333533.db2.gz SZCLDMXVIGYGFW-GOSISDBHSA-N 2 2 329.488 2.076 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677940731 486529916 /nfs/dbraw/zinc/52/99/16/486529916.db2.gz YIKLXGSUDPFNSR-BBWFWOEESA-N 2 2 337.414 2.311 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677940731 486529919 /nfs/dbraw/zinc/52/99/19/486529919.db2.gz YIKLXGSUDPFNSR-BBWFWOEESA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677940731 486529925 /nfs/dbraw/zinc/52/99/25/486529925.db2.gz YIKLXGSUDPFNSR-BBWFWOEESA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677940731 486529930 /nfs/dbraw/zinc/52/99/30/486529930.db2.gz YIKLXGSUDPFNSR-BBWFWOEESA-N 2 2 337.414 2.311 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)c3cccnc3)CC2)CC1 ZINC000422010184 535463847 /nfs/dbraw/zinc/46/38/47/535463847.db2.gz BPEGXVHBOIYAGZ-QGZVFWFLSA-N 2 2 344.503 2.204 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)c3cccnc3)CC2)CC1 ZINC000422010184 535463855 /nfs/dbraw/zinc/46/38/55/535463855.db2.gz BPEGXVHBOIYAGZ-QGZVFWFLSA-N 2 2 344.503 2.204 10 0 EEAELP COc1ccc([C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422743107 536930019 /nfs/dbraw/zinc/93/00/19/536930019.db2.gz HWYFIDYJJFNACK-IRXDYDNUSA-N 2 2 331.460 2.124 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000726796850 576300428 /nfs/dbraw/zinc/30/04/28/576300428.db2.gz KYBDMSDWAYTJIV-IBGZPJMESA-N 2 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000726796850 576300432 /nfs/dbraw/zinc/30/04/32/576300432.db2.gz KYBDMSDWAYTJIV-IBGZPJMESA-N 2 2 328.460 2.082 10 0 EEAELP C[NH+]1CCC(CNC(=O)NOC2CCCC2)([NH+]2CCCCC2)CC1 ZINC000774812077 577419241 /nfs/dbraw/zinc/41/92/41/577419241.db2.gz XJZUFVIEISAKHF-UHFFFAOYSA-N 2 2 338.496 2.110 10 0 EEAELP Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2C)c1 ZINC000774990785 578265978 /nfs/dbraw/zinc/26/59/78/578265978.db2.gz DCNQNRLUKIOWBX-OAHLLOKOSA-N 2 2 326.282 2.093 10 0 EEAELP Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000774990785 578265979 /nfs/dbraw/zinc/26/59/79/578265979.db2.gz DCNQNRLUKIOWBX-OAHLLOKOSA-N 2 2 326.282 2.093 10 0 EEAELP c1cc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)nc(N2CCCCC2)[nH+]1 ZINC000895566285 684647861 /nfs/dbraw/zinc/64/78/61/684647861.db2.gz IOEWGEPIRCDULI-GJZGRUSLSA-N 2 2 333.505 2.459 10 0 EEAELP c1cc(N[C@H]2CCC[N@H+]3CCSC[C@@H]23)nc(N2CCCCC2)[nH+]1 ZINC000895566285 684647863 /nfs/dbraw/zinc/64/78/63/684647863.db2.gz IOEWGEPIRCDULI-GJZGRUSLSA-N 2 2 333.505 2.459 10 0 EEAELP CC(C)OC(=O)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000895828012 684733425 /nfs/dbraw/zinc/73/34/25/684733425.db2.gz RJTNGSFKXDCJEC-UHFFFAOYSA-N 2 2 328.416 2.431 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898494754 693340016 /nfs/dbraw/zinc/34/00/16/693340016.db2.gz ODLAASUIRBXLKZ-GOSISDBHSA-N 2 2 342.418 2.411 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898494754 693340022 /nfs/dbraw/zinc/34/00/22/693340022.db2.gz ODLAASUIRBXLKZ-GOSISDBHSA-N 2 2 342.418 2.411 10 0 EEAELP C[C@@H](CC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1)n1cc[nH+]c1 ZINC000899047766 693583809 /nfs/dbraw/zinc/58/38/09/693583809.db2.gz UWTFHVOVKLDWLM-NSHDSACASA-N 2 2 346.822 2.497 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC001485617184 1191858806 /nfs/dbraw/zinc/85/88/06/1191858806.db2.gz APNYPUQUZSXRJA-PHZGNYQRSA-N 2 2 344.846 2.100 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC001485617184 1191858809 /nfs/dbraw/zinc/85/88/09/1191858809.db2.gz APNYPUQUZSXRJA-PHZGNYQRSA-N 2 2 344.846 2.100 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001485619740 1191859748 /nfs/dbraw/zinc/85/97/48/1191859748.db2.gz SNANBHPSDNDGEP-OSMBCOQSSA-N 2 2 342.418 2.147 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001485619740 1191859750 /nfs/dbraw/zinc/85/97/50/1191859750.db2.gz SNANBHPSDNDGEP-OSMBCOQSSA-N 2 2 342.418 2.147 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]Cc2ccc(Cl)nc2)c[nH+]1 ZINC001266738825 1177328052 /nfs/dbraw/zinc/32/80/52/1177328052.db2.gz PUGWTAYHXVLMAQ-UHFFFAOYSA-N 2 2 349.866 2.223 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)CCc2[nH+]ccn2C)cc1F ZINC001266785170 1177424048 /nfs/dbraw/zinc/42/40/48/1177424048.db2.gz IIAVBLYBUYFYIU-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001691296985 1177847333 /nfs/dbraw/zinc/84/73/33/1177847333.db2.gz BIPRDYAXUQANKQ-WBVHZDCISA-N 2 2 332.492 2.389 10 0 EEAELP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001691360950 1177964494 /nfs/dbraw/zinc/96/44/94/1177964494.db2.gz SBMYYAPTAQSMDR-ZACQAIPSSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC001267308976 1178731213 /nfs/dbraw/zinc/73/12/13/1178731213.db2.gz IFAZMEPZJPDFGM-QGZVFWFLSA-N 2 2 349.438 2.070 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC001267308976 1178731217 /nfs/dbraw/zinc/73/12/17/1178731217.db2.gz IFAZMEPZJPDFGM-QGZVFWFLSA-N 2 2 349.438 2.070 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](CCC(F)(F)F)C(C)C ZINC001267515236 1179234724 /nfs/dbraw/zinc/23/47/24/1179234724.db2.gz ZOTNQAILXSTHMH-UHFFFAOYSA-N 2 2 334.386 2.430 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](CCC(F)(F)F)C(C)C ZINC001267515236 1179234731 /nfs/dbraw/zinc/23/47/31/1179234731.db2.gz ZOTNQAILXSTHMH-UHFFFAOYSA-N 2 2 334.386 2.430 10 0 EEAELP CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)CCc1c[nH]c[nH+]1 ZINC001481237675 1180391989 /nfs/dbraw/zinc/39/19/89/1180391989.db2.gz NHIJHZFCSHPXBG-QGZVFWFLSA-N 2 2 348.397 2.356 10 0 EEAELP CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)CCc1c[nH+]c[nH]1 ZINC001481237675 1180391996 /nfs/dbraw/zinc/39/19/96/1180391996.db2.gz NHIJHZFCSHPXBG-QGZVFWFLSA-N 2 2 348.397 2.356 10 0 EEAELP COc1cccc([C@H](C)[NH2+]CCN(C)C(=O)CCc2[nH+]ccn2C)c1 ZINC001481261035 1180500973 /nfs/dbraw/zinc/50/09/73/1180500973.db2.gz CXZLKCRHUMRCDJ-HNNXBMFYSA-N 2 2 344.459 2.171 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001481281643 1180805016 /nfs/dbraw/zinc/80/50/16/1180805016.db2.gz VWPDCXOHGFYTLG-MGPQQGTHSA-N 2 2 340.418 2.007 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001267966810 1180866619 /nfs/dbraw/zinc/86/66/19/1180866619.db2.gz RNXRJMDPVXORNU-UONOGXRCSA-N 2 2 340.418 2.358 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]C/C(Cl)=C\Cl ZINC001481288445 1180878271 /nfs/dbraw/zinc/87/82/71/1180878271.db2.gz YCFKOZIDRMEIGR-XYOKQWHBSA-N 2 2 333.263 2.374 10 0 EEAELP CCOCCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268064951 1181655140 /nfs/dbraw/zinc/65/51/40/1181655140.db2.gz WKLGVDKGBQFFAO-CQSZACIVSA-N 2 2 332.448 2.119 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC1C[NH+](Cc2ccc(C)cc2Cl)C1 ZINC001481658901 1182155567 /nfs/dbraw/zinc/15/55/67/1182155567.db2.gz TXVJUGYUOOEUSF-UHFFFAOYSA-N 2 2 346.862 2.402 10 0 EEAELP C[C@H]1CCCC[C@@]1(C[NH2+]Cc1nccs1)NC(=O)Cn1cc[nH+]c1 ZINC001481965480 1183047403 /nfs/dbraw/zinc/04/74/03/1183047403.db2.gz XZLBTSFCIPRIBF-YOEHRIQHSA-N 2 2 347.488 2.195 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001481976077 1183072410 /nfs/dbraw/zinc/07/24/10/1183072410.db2.gz DEMFCAHCCBORAG-IHKLICDZSA-N 2 2 336.867 2.484 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001481976077 1183072418 /nfs/dbraw/zinc/07/24/18/1183072418.db2.gz DEMFCAHCCBORAG-IHKLICDZSA-N 2 2 336.867 2.484 10 0 EEAELP C[C@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001482019190 1183143423 /nfs/dbraw/zinc/14/34/23/1183143423.db2.gz ZRMIJXYHDZRDDK-BPUTZDHNSA-N 2 2 344.459 2.355 10 0 EEAELP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001482035327 1183186780 /nfs/dbraw/zinc/18/67/80/1183186780.db2.gz XAVWSFKAUABCCO-UHFFFAOYSA-N 2 2 326.444 2.335 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC001268561225 1183259596 /nfs/dbraw/zinc/25/95/96/1183259596.db2.gz OWIWTDFMXJVUIO-WOMSROEHSA-N 2 2 344.484 2.278 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001268561227 1183259770 /nfs/dbraw/zinc/25/97/70/1183259770.db2.gz OWIWTDFMXJVUIO-YPQKKHBXSA-N 2 2 344.484 2.278 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CC1CC(C)(C)C1 ZINC001482116349 1183354721 /nfs/dbraw/zinc/35/47/21/1183354721.db2.gz CSGUBZYZANGTCE-GOEBONIOSA-N 2 2 332.492 2.224 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]Cc2ccns2)c[nH+]1 ZINC001268800836 1183717302 /nfs/dbraw/zinc/71/73/02/1183717302.db2.gz UINRZRCYZSBWIY-UHFFFAOYSA-N 2 2 335.477 2.021 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]Cc2nc(C)oc2C)CCCC1 ZINC001482224206 1184316571 /nfs/dbraw/zinc/31/65/71/1184316571.db2.gz AZBFLHCTVRAQRL-UHFFFAOYSA-N 2 2 345.447 2.015 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cccc(F)c2F)CCCC1 ZINC001482239395 1184571888 /nfs/dbraw/zinc/57/18/88/1184571888.db2.gz YRBRWYWGLLCCBD-UHFFFAOYSA-N 2 2 348.397 2.380 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001269805375 1184633065 /nfs/dbraw/zinc/63/30/65/1184633065.db2.gz ZCWYJDPJMMULPX-INIZCTEOSA-N 2 2 346.500 2.406 10 0 EEAELP COCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482453125 1185855853 /nfs/dbraw/zinc/85/58/53/1185855853.db2.gz PGYKWCGWMFVZMY-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1csc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001482458959 1185912414 /nfs/dbraw/zinc/91/24/14/1185912414.db2.gz QKOGCIRLAXWIKK-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001271136283 1185954520 /nfs/dbraw/zinc/95/45/20/1185954520.db2.gz CWNFBMIQYFGOJU-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001271136283 1185954521 /nfs/dbraw/zinc/95/45/21/1185954521.db2.gz CWNFBMIQYFGOJU-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP CN(CC[N@H+](C)Cc1ccsc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482609027 1187369874 /nfs/dbraw/zinc/36/98/74/1187369874.db2.gz MWKIKMKYJHBRKE-HNNXBMFYSA-N 2 2 332.473 2.097 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccsc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482609027 1187369879 /nfs/dbraw/zinc/36/98/79/1187369879.db2.gz MWKIKMKYJHBRKE-HNNXBMFYSA-N 2 2 332.473 2.097 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)c1cccc2[nH+]ccn21 ZINC001482854720 1187776995 /nfs/dbraw/zinc/77/69/95/1187776995.db2.gz OGHIOHRTQMYJSE-CYBMUJFWSA-N 2 2 341.390 2.167 10 0 EEAELP CCN(CC[NH2+]Cc1cnccc1C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001482953159 1187880137 /nfs/dbraw/zinc/88/01/37/1187880137.db2.gz JFAWHTAKYTUFST-MRXNPFEDSA-N 2 2 329.448 2.176 10 0 EEAELP CCc1cnc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001483068679 1188413872 /nfs/dbraw/zinc/41/38/72/1188413872.db2.gz MGMKMCLYFOIQIK-AAAUKVELSA-N 2 2 346.475 2.016 10 0 EEAELP CCc1cnc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)o1 ZINC001483068679 1188413874 /nfs/dbraw/zinc/41/38/74/1188413874.db2.gz MGMKMCLYFOIQIK-AAAUKVELSA-N 2 2 346.475 2.016 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CCc1ccccc1F ZINC001409345113 1189555010 /nfs/dbraw/zinc/55/50/10/1189555010.db2.gz AYNLGZKCXDLNKG-LSDHHAIUSA-N 2 2 346.450 2.217 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccncc1Cl)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483340455 1190372891 /nfs/dbraw/zinc/37/28/91/1190372891.db2.gz SSQQGJDPSVWKBB-GZBFAFLISA-N 2 2 338.883 2.012 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccncc1Cl)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483340455 1190372895 /nfs/dbraw/zinc/37/28/95/1190372895.db2.gz SSQQGJDPSVWKBB-GZBFAFLISA-N 2 2 338.883 2.012 10 0 EEAELP C[C@@H](C[NH+](C)Cc1ccncc1Cl)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483340455 1190372899 /nfs/dbraw/zinc/37/28/99/1190372899.db2.gz SSQQGJDPSVWKBB-GZBFAFLISA-N 2 2 338.883 2.012 10 0 EEAELP C[C@@H](C[NH+](C)Cc1ccncc1Cl)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483340455 1190372903 /nfs/dbraw/zinc/37/29/03/1190372903.db2.gz SSQQGJDPSVWKBB-GZBFAFLISA-N 2 2 338.883 2.012 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)on1 ZINC001483346985 1190381812 /nfs/dbraw/zinc/38/18/12/1190381812.db2.gz GWWQFLKMNOSKAK-YJBOKZPZSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)on1 ZINC001483346985 1190381814 /nfs/dbraw/zinc/38/18/14/1190381814.db2.gz GWWQFLKMNOSKAK-YJBOKZPZSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001483346985 1190381819 /nfs/dbraw/zinc/38/18/19/1190381819.db2.gz GWWQFLKMNOSKAK-YJBOKZPZSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)on1 ZINC001483346985 1190381823 /nfs/dbraw/zinc/38/18/23/1190381823.db2.gz GWWQFLKMNOSKAK-YJBOKZPZSA-N 2 2 348.491 2.327 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001483472135 1190492956 /nfs/dbraw/zinc/49/29/56/1190492956.db2.gz SCHULBXHMVDJCL-UHFFFAOYSA-N 2 2 335.839 2.029 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001483472135 1190492957 /nfs/dbraw/zinc/49/29/57/1190492957.db2.gz SCHULBXHMVDJCL-UHFFFAOYSA-N 2 2 335.839 2.029 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CCn2cccn2)C2CC2)c(C)[nH+]1 ZINC001483577863 1190567039 /nfs/dbraw/zinc/56/70/39/1190567039.db2.gz UENBQTUUDOYMGE-QGZVFWFLSA-N 2 2 341.459 2.002 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001409905692 1190994608 /nfs/dbraw/zinc/99/46/08/1190994608.db2.gz HFIOSOXYQIBUFU-GJZGRUSLSA-N 2 2 348.491 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001409905692 1190994610 /nfs/dbraw/zinc/99/46/10/1190994610.db2.gz HFIOSOXYQIBUFU-GJZGRUSLSA-N 2 2 348.491 2.076 10 0 EEAELP CC1(NC(=O)Cn2cc[nH+]c2)CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC001483976332 1191138698 /nfs/dbraw/zinc/13/86/98/1191138698.db2.gz HTNFHABORPTVHM-UHFFFAOYSA-N 2 2 348.397 2.332 10 0 EEAELP C[C@@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@H+](CC2CCC2)C1 ZINC001484044818 1191171135 /nfs/dbraw/zinc/17/11/35/1191171135.db2.gz MFUTZGMPCXLUFJ-LJQANCHMSA-N 2 2 330.476 2.143 10 0 EEAELP C[C@@]1(NC(=O)Cc2cn3c([nH+]2)CCCC3)CC[N@@H+](CC2CCC2)C1 ZINC001484044818 1191171136 /nfs/dbraw/zinc/17/11/36/1191171136.db2.gz MFUTZGMPCXLUFJ-LJQANCHMSA-N 2 2 330.476 2.143 10 0 EEAELP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)no1 ZINC001484113233 1191213800 /nfs/dbraw/zinc/21/38/00/1191213800.db2.gz DVSYSWNKVQKQED-KSSFIOAISA-N 2 2 345.447 2.159 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001484113764 1191214283 /nfs/dbraw/zinc/21/42/83/1191214283.db2.gz ISYMVCJEYFHIGC-KBXCAEBGSA-N 2 2 345.447 2.159 10 0 EEAELP CCC[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)c1ccccc1CC ZINC001484323293 1191304695 /nfs/dbraw/zinc/30/46/95/1191304695.db2.gz NCBSFAATELHOFX-GOSISDBHSA-N 2 2 328.460 2.382 10 0 EEAELP C/C(=C/C(=O)NCC[NH+]1CCC([NH2+]CC[C@H](C)F)CC1)C1CC1 ZINC001484416128 1191342016 /nfs/dbraw/zinc/34/20/16/1191342016.db2.gz CBBMIQXSOYCPOE-PLFFATQSSA-N 2 2 325.472 2.261 10 0 EEAELP CC/C=C/CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001484595276 1191436375 /nfs/dbraw/zinc/43/63/75/1191436375.db2.gz HPDQMOIYKRCLQW-ZLKFPQNLSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001484595276 1191436377 /nfs/dbraw/zinc/43/63/77/1191436377.db2.gz HPDQMOIYKRCLQW-ZLKFPQNLSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001484595276 1191436378 /nfs/dbraw/zinc/43/63/78/1191436378.db2.gz HPDQMOIYKRCLQW-ZLKFPQNLSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001484595276 1191436380 /nfs/dbraw/zinc/43/63/80/1191436380.db2.gz HPDQMOIYKRCLQW-ZLKFPQNLSA-N 2 2 337.508 2.034 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001484758367 1191511339 /nfs/dbraw/zinc/51/13/39/1191511339.db2.gz DUXWIZKDYRJMMI-HNNXBMFYSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N(C)CCC[NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001484758367 1191511341 /nfs/dbraw/zinc/51/13/41/1191511341.db2.gz DUXWIZKDYRJMMI-HNNXBMFYSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001484758367 1191511344 /nfs/dbraw/zinc/51/13/44/1191511344.db2.gz DUXWIZKDYRJMMI-HNNXBMFYSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)N(C)CCC[N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001484758367 1191511346 /nfs/dbraw/zinc/51/13/46/1191511346.db2.gz DUXWIZKDYRJMMI-HNNXBMFYSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)[C@H](C)[NH2+]Cc1cscn1 ZINC001485232517 1191700467 /nfs/dbraw/zinc/70/04/67/1191700467.db2.gz UBTPAXFVAAFAPK-LSDHHAIUSA-N 2 2 346.500 2.258 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)[C@H](C)[NH2+]Cc1cscn1 ZINC001485232517 1191700468 /nfs/dbraw/zinc/70/04/68/1191700468.db2.gz UBTPAXFVAAFAPK-LSDHHAIUSA-N 2 2 346.500 2.258 10 0 EEAELP C[C@H]1CC[C@H](C[NH2+]CC2(NC(=O)CCc3c[nH]c[nH+]3)CCCCC2)O1 ZINC001485449295 1191788983 /nfs/dbraw/zinc/78/89/83/1191788983.db2.gz KMSDCJHWBRHQEJ-DOTOQJQBSA-N 2 2 348.491 2.319 10 0 EEAELP C[C@H]1CC[C@H](C[NH2+]CC2(NC(=O)CCc3c[nH+]c[nH]3)CCCCC2)O1 ZINC001485449295 1191788985 /nfs/dbraw/zinc/78/89/85/1191788985.db2.gz KMSDCJHWBRHQEJ-DOTOQJQBSA-N 2 2 348.491 2.319 10 0 EEAELP CC1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1[NH2+]C/C=C/Cl ZINC001486236083 1193762420 /nfs/dbraw/zinc/76/24/20/1193762420.db2.gz LYDAJIBLKADOIP-YTRREALPSA-N 2 2 336.867 2.025 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CCn1cc[nH+]c1 ZINC001272943833 1193899298 /nfs/dbraw/zinc/89/92/98/1193899298.db2.gz OYLKOFMIIADGGF-HNNXBMFYSA-N 2 2 339.443 2.439 10 0 EEAELP Cc1cncc(C[NH+]2CCC([C@@H](C)NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001486442191 1193970020 /nfs/dbraw/zinc/97/00/20/1193970020.db2.gz GZMDTBKJLQHYIC-MRXNPFEDSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)n1 ZINC001410438654 1197897582 /nfs/dbraw/zinc/89/75/82/1197897582.db2.gz ARROWOCYCOQHCW-HOTGVXAUSA-N 2 2 343.475 2.483 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(Cl)cc1 ZINC000872153998 1198060043 /nfs/dbraw/zinc/06/00/43/1198060043.db2.gz QKIBKFGEQNLCAE-VAGZCVSGSA-N 2 2 335.879 2.447 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(Cl)cc1 ZINC000872153998 1198060053 /nfs/dbraw/zinc/06/00/53/1198060053.db2.gz QKIBKFGEQNLCAE-VAGZCVSGSA-N 2 2 335.879 2.447 10 0 EEAELP CC(C)Cc1cc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000865534918 1198264297 /nfs/dbraw/zinc/26/42/97/1198264297.db2.gz KTUMUNRFKRCJEA-GOSISDBHSA-N 2 2 331.508 2.280 10 0 EEAELP CC(C)Cc1cc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)ncn1 ZINC000865534918 1198264304 /nfs/dbraw/zinc/26/43/04/1198264304.db2.gz KTUMUNRFKRCJEA-GOSISDBHSA-N 2 2 331.508 2.280 10 0 EEAELP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+][C@H]1CCc3[nH+]c[nH]c3C1)C2 ZINC000865573532 1198282512 /nfs/dbraw/zinc/28/25/12/1198282512.db2.gz JYMDEXNFFYHWCZ-XYEKJYRLSA-N 2 2 332.448 2.256 10 0 EEAELP CS[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000865733683 1198351621 /nfs/dbraw/zinc/35/16/21/1198351621.db2.gz QAMHDAZMGUKFLQ-SAABIXHNSA-N 2 2 336.501 2.381 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]C/C(Cl)=C/Cl)C[C@@H]1C ZINC001410857474 1198508685 /nfs/dbraw/zinc/50/86/85/1198508685.db2.gz KKLPYWWBEPKEBR-BZAQYKLVSA-N 2 2 331.247 2.090 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1cncs1 ZINC001493029743 1198577440 /nfs/dbraw/zinc/57/74/40/1198577440.db2.gz VWPNLUWZBKYGAM-INIZCTEOSA-N 2 2 338.521 2.344 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)Cc1cncs1 ZINC001493029743 1198577442 /nfs/dbraw/zinc/57/74/42/1198577442.db2.gz VWPNLUWZBKYGAM-INIZCTEOSA-N 2 2 338.521 2.344 10 0 EEAELP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)Cc1cncs1 ZINC001493029743 1198577444 /nfs/dbraw/zinc/57/74/44/1198577444.db2.gz VWPNLUWZBKYGAM-INIZCTEOSA-N 2 2 338.521 2.344 10 0 EEAELP Cc1cc(C)c(NC(=O)[C@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC001411275550 1199049258 /nfs/dbraw/zinc/04/92/58/1199049258.db2.gz RCOKXLLKUPETRF-IRXDYDNUSA-N 2 2 341.459 2.414 10 0 EEAELP Cc1cc(C)c(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC001411275550 1199049263 /nfs/dbraw/zinc/04/92/63/1199049263.db2.gz RCOKXLLKUPETRF-IRXDYDNUSA-N 2 2 341.459 2.414 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)CC1 ZINC000878823931 1200698237 /nfs/dbraw/zinc/69/82/37/1200698237.db2.gz MMQQJKCLSKQMHT-SLYNCCJLSA-N 2 2 341.499 2.249 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)CC1 ZINC000878823931 1200698243 /nfs/dbraw/zinc/69/82/43/1200698243.db2.gz MMQQJKCLSKQMHT-SLYNCCJLSA-N 2 2 341.499 2.249 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000870910878 1200947615 /nfs/dbraw/zinc/94/76/15/1200947615.db2.gz ONQUBCMCQDZMFU-SCTFDZSOSA-N 2 2 337.414 2.344 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000870910878 1200947619 /nfs/dbraw/zinc/94/76/19/1200947619.db2.gz ONQUBCMCQDZMFU-SCTFDZSOSA-N 2 2 337.414 2.344 10 0 EEAELP C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704539 1201585522 /nfs/dbraw/zinc/58/55/22/1201585522.db2.gz OKWBEDHLCFFMFD-KSSFIOAISA-N 2 2 328.464 2.420 10 0 EEAELP C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866704539 1201585524 /nfs/dbraw/zinc/58/55/24/1201585524.db2.gz OKWBEDHLCFFMFD-KSSFIOAISA-N 2 2 328.464 2.420 10 0 EEAELP Cc1nc(CC[NH2+]CC(C)(C)CN(C)C(=O)Cc2c[nH+]c[nH]2)cs1 ZINC001275718276 1205497342 /nfs/dbraw/zinc/49/73/42/1205497342.db2.gz WOLLKWRMUIXKFE-UHFFFAOYSA-N 2 2 349.504 2.034 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC001412525604 1205748868 /nfs/dbraw/zinc/74/88/68/1205748868.db2.gz JWWBOHDBLDJUGG-LJQANCHMSA-N 2 2 347.503 2.316 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC001412525604 1205748870 /nfs/dbraw/zinc/74/88/70/1205748870.db2.gz JWWBOHDBLDJUGG-LJQANCHMSA-N 2 2 347.503 2.316 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CCC(F)(F)F)CCCCC1 ZINC001276237315 1205849203 /nfs/dbraw/zinc/84/92/03/1205849203.db2.gz JRKVBYPWGFFJBC-UHFFFAOYSA-N 2 2 346.397 2.324 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1 ZINC001276271064 1205863422 /nfs/dbraw/zinc/86/34/22/1205863422.db2.gz AORSZDIKIRYMEG-AWEZNQCLSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1 ZINC001276271064 1205863425 /nfs/dbraw/zinc/86/34/25/1205863425.db2.gz AORSZDIKIRYMEG-AWEZNQCLSA-N 2 2 332.423 2.366 10 0 EEAELP Fc1cccc([C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)N2CCOCC2)c1 ZINC000925486071 1206118779 /nfs/dbraw/zinc/11/87/79/1206118779.db2.gz DWDLJOYIOUOODE-OALUTQOASA-N 2 2 347.478 2.463 10 0 EEAELP Cc1cccc([C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)N2CCOCC2)c1 ZINC000925539721 1206124901 /nfs/dbraw/zinc/12/49/01/1206124901.db2.gz KVTLOVSMXPEYHB-OALUTQOASA-N 2 2 329.488 2.243 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000925906461 1206166411 /nfs/dbraw/zinc/16/64/11/1206166411.db2.gz CSVBHSSRDLDIGW-QGZVFWFLSA-N 2 2 344.463 2.003 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(N3CCCCC3)c2)CC1 ZINC000925974846 1206176942 /nfs/dbraw/zinc/17/69/42/1206176942.db2.gz AROMERJKTSHKAO-UHFFFAOYSA-N 2 2 345.491 2.222 10 0 EEAELP COc1c(C)cc(Cl)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926179951 1206202011 /nfs/dbraw/zinc/20/20/11/1206202011.db2.gz HOHJXHLAJMEYDT-UHFFFAOYSA-N 2 2 340.855 2.202 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928101934 1206344112 /nfs/dbraw/zinc/34/41/12/1206344112.db2.gz FSQWOBHTKOBPSR-ZIAGYGMSSA-N 2 2 339.530 2.119 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928101934 1206344113 /nfs/dbraw/zinc/34/41/13/1206344113.db2.gz FSQWOBHTKOBPSR-ZIAGYGMSSA-N 2 2 339.530 2.119 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3CCCN(c4ccccc4)C3=O)C[C@@]2(C)C1 ZINC000931311469 1206623819 /nfs/dbraw/zinc/62/38/19/1206623819.db2.gz QAZMGOOBOVFWRO-MISYRCLQSA-N 2 2 327.472 2.456 10 0 EEAELP Cc1cc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cnc1Br ZINC000931479685 1207392164 /nfs/dbraw/zinc/39/21/64/1207392164.db2.gz YPZGFASTPJHOCW-UHFFFAOYSA-N 2 2 342.281 2.041 10 0 EEAELP CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900304825 1234183980 /nfs/dbraw/zinc/18/39/80/1234183980.db2.gz BHVAYFYZQMMAEZ-MRXNPFEDSA-N 2 2 341.459 2.067 10 0 EEAELP CC[N@H+]1CC[C@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900304825 1234183981 /nfs/dbraw/zinc/18/39/81/1234183981.db2.gz BHVAYFYZQMMAEZ-MRXNPFEDSA-N 2 2 341.459 2.067 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC001491210453 1258784782 /nfs/dbraw/zinc/78/47/82/1258784782.db2.gz QEDXQGSIKYOVSN-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@H+]1CCC[C@H]1CCOC1 ZINC001491210453 1258784789 /nfs/dbraw/zinc/78/47/89/1258784789.db2.gz QEDXQGSIKYOVSN-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC001491210453 1258784797 /nfs/dbraw/zinc/78/47/97/1258784797.db2.gz QEDXQGSIKYOVSN-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCC[N@H+]1CCC[C@H]1CCOC1 ZINC001491210453 1258784804 /nfs/dbraw/zinc/78/48/04/1258784804.db2.gz QEDXQGSIKYOVSN-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP CCN(CC[NH2+]CC[C@@H]1CCCO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273459648 1278450210 /nfs/dbraw/zinc/45/02/10/1278450210.db2.gz XBDMEVYQFQJZIJ-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001273468980 1278560632 /nfs/dbraw/zinc/56/06/32/1278560632.db2.gz XYMLPBWPGYSLGV-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP COC[C@@H](CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)OC ZINC000850345521 1277191177 /nfs/dbraw/zinc/19/11/77/1277191177.db2.gz CTHULIKRHNVENO-LJQANCHMSA-N 2 2 335.492 2.363 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CCc1c[nH+]cn1C ZINC001273731811 1284355741 /nfs/dbraw/zinc/35/57/41/1284355741.db2.gz IWXSEVMSSSWOBT-IXDOHACOSA-N 2 2 332.492 2.227 10 0 EEAELP O=C(NCCC[N@@H+](C/C=C\Cl)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490377316 1291261856 /nfs/dbraw/zinc/26/18/56/1291261856.db2.gz KMHDQFGJUUVFLD-DHEJZYIKSA-N 2 2 336.867 2.169 10 0 EEAELP O=C(NCCC[N@H+](C/C=C\Cl)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490377316 1291261866 /nfs/dbraw/zinc/26/18/66/1291261866.db2.gz KMHDQFGJUUVFLD-DHEJZYIKSA-N 2 2 336.867 2.169 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590977 1293574961 /nfs/dbraw/zinc/57/49/61/1293574961.db2.gz GCUVWQMHLAUJFJ-CXAGYDPISA-N 2 2 345.447 2.439 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590977 1293574968 /nfs/dbraw/zinc/57/49/68/1293574968.db2.gz GCUVWQMHLAUJFJ-CXAGYDPISA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590977 1293574972 /nfs/dbraw/zinc/57/49/72/1293574972.db2.gz GCUVWQMHLAUJFJ-CXAGYDPISA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590977 1293574978 /nfs/dbraw/zinc/57/49/78/1293574978.db2.gz GCUVWQMHLAUJFJ-CXAGYDPISA-N 2 2 345.447 2.439 10 0 EEAELP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000857849273 1293930222 /nfs/dbraw/zinc/93/02/22/1293930222.db2.gz VCOWZLVRLXYJFC-IBGZPJMESA-N 2 2 339.487 2.324 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1Cc1cc2ccccc2s1 ZINC001276986041 1300673371 /nfs/dbraw/zinc/67/33/71/1300673371.db2.gz OZYMVFYUKBUAHT-HNNXBMFYSA-N 2 2 340.452 2.489 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1cc2ccccc2s1 ZINC001276986041 1300673376 /nfs/dbraw/zinc/67/33/76/1300673376.db2.gz OZYMVFYUKBUAHT-HNNXBMFYSA-N 2 2 340.452 2.489 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001277907520 1305050720 /nfs/dbraw/zinc/05/07/20/1305050720.db2.gz BHSXHMDAGDKXLW-GOSISDBHSA-N 2 2 326.444 2.097 10 0 EEAELP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001276396923 1314695148 /nfs/dbraw/zinc/69/51/48/1314695148.db2.gz JXJWQVKQSCTHQO-HZPDHXFCSA-N 2 2 332.492 2.462 10 0 EEAELP O[C@@H](C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C[NH+]1CCCCC1 ZINC000843063239 1315833237 /nfs/dbraw/zinc/83/32/37/1315833237.db2.gz XTLFIOLMAXFHCI-XJKSGUPXSA-N 2 2 347.286 2.463 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001264404521 1322692432 /nfs/dbraw/zinc/69/24/32/1322692432.db2.gz DINKNVAHIJKGSZ-WOVMCDHWSA-N 2 2 344.434 2.209 10 0 EEAELP Cc1ncoc1C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001264517473 1322721702 /nfs/dbraw/zinc/72/17/02/1322721702.db2.gz GOLGTJZXOOSMMV-UKRRQHHQSA-N 2 2 345.447 2.056 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]CCOC1CCC1 ZINC001264517271 1322721902 /nfs/dbraw/zinc/72/19/02/1322721902.db2.gz DJHKPLJHECHILW-DOTOQJQBSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H](C[NH2+]CC[C@H](C)F)C3)[nH+]c12 ZINC001266023013 1323574692 /nfs/dbraw/zinc/57/46/92/1323574692.db2.gz DBLVZVWHBBGOTA-JKSUJKDBSA-N 2 2 346.450 2.371 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001266070747 1323626284 /nfs/dbraw/zinc/62/62/84/1323626284.db2.gz DVMZIARGFKCRDV-IRXDYDNUSA-N 2 2 348.491 2.176 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001279416070 1323901333 /nfs/dbraw/zinc/90/13/33/1323901333.db2.gz LAKPYEVIULODJZ-FEFURNDJSA-N 2 2 330.476 2.410 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001279416070 1323901339 /nfs/dbraw/zinc/90/13/39/1323901339.db2.gz LAKPYEVIULODJZ-FEFURNDJSA-N 2 2 330.476 2.410 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001279575404 1323942935 /nfs/dbraw/zinc/94/29/35/1323942935.db2.gz FMOZAEKKMGMDCN-ROUUACIJSA-N 2 2 348.491 2.155 10 0 EEAELP CCCCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001279575404 1323942938 /nfs/dbraw/zinc/94/29/38/1323942938.db2.gz FMOZAEKKMGMDCN-ROUUACIJSA-N 2 2 348.491 2.155 10 0 EEAELP CCCCC[NH+]1CCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001280389946 1324195148 /nfs/dbraw/zinc/19/51/48/1324195148.db2.gz OLYKGAZMIVWCEN-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP COCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001281939225 1325518932 /nfs/dbraw/zinc/51/89/32/1325518932.db2.gz CVNFEJBZUVUSLR-KRWDZBQOSA-N 2 2 344.459 2.216 10 0 EEAELP COCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001281939225 1325518935 /nfs/dbraw/zinc/51/89/35/1325518935.db2.gz CVNFEJBZUVUSLR-KRWDZBQOSA-N 2 2 344.459 2.216 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCc2ccccc2)CN1C(=O)CCn1cc[nH+]c1 ZINC001283997969 1326355853 /nfs/dbraw/zinc/35/58/53/1326355853.db2.gz FKPIHYIPFVLZGO-MJGOQNOKSA-N 2 2 340.471 2.485 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nc2c(o1)CCCC2 ZINC001491682138 1330203795 /nfs/dbraw/zinc/20/37/95/1330203795.db2.gz JGUUDRNEHZWKAR-GDBMZVCRSA-N 2 2 348.491 2.022 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1nc2c(o1)CCCC2 ZINC001491682140 1330204014 /nfs/dbraw/zinc/20/40/14/1330204014.db2.gz JGUUDRNEHZWKAR-HOCLYGCPSA-N 2 2 348.491 2.022 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001491823811 1330264493 /nfs/dbraw/zinc/26/44/93/1330264493.db2.gz KCAPLAIPHKBZJW-LJQANCHMSA-N 2 2 340.471 2.344 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001491847583 1330272871 /nfs/dbraw/zinc/27/28/71/1330272871.db2.gz IYVFQSPIJDSNEY-MOTZXUDYSA-N 2 2 338.455 2.114 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001492154525 1331017805 /nfs/dbraw/zinc/01/78/05/1331017805.db2.gz OGMRJPDLBHIUAK-YOEHRIQHSA-N 2 2 333.480 2.171 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001492154525 1331017810 /nfs/dbraw/zinc/01/78/10/1331017810.db2.gz OGMRJPDLBHIUAK-YOEHRIQHSA-N 2 2 333.480 2.171 10 0 EEAELP CC[NH+]1CCC[C@@H]1CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001492154525 1331017816 /nfs/dbraw/zinc/01/78/16/1331017816.db2.gz OGMRJPDLBHIUAK-YOEHRIQHSA-N 2 2 333.480 2.171 10 0 EEAELP CC[NH+]1CCC[C@@H]1CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001492154525 1331017819 /nfs/dbraw/zinc/01/78/19/1331017819.db2.gz OGMRJPDLBHIUAK-YOEHRIQHSA-N 2 2 333.480 2.171 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316978203 1332026059 /nfs/dbraw/zinc/02/60/59/1332026059.db2.gz RSTZOYFHDWXZIK-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316978203 1332026063 /nfs/dbraw/zinc/02/60/63/1332026063.db2.gz RSTZOYFHDWXZIK-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001317206999 1332134608 /nfs/dbraw/zinc/13/46/08/1332134608.db2.gz IBQSHMMEPMOEOE-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP CCOCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001317206999 1332134609 /nfs/dbraw/zinc/13/46/09/1332134609.db2.gz IBQSHMMEPMOEOE-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP COCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317354060 1332191541 /nfs/dbraw/zinc/19/15/41/1332191541.db2.gz BUUBAJABXPZWFK-CVEARBPZSA-N 2 2 344.459 2.392 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001317433690 1332237615 /nfs/dbraw/zinc/23/76/15/1332237615.db2.gz GVVHRJIWZCSHPP-QGZVFWFLSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001317433690 1332237618 /nfs/dbraw/zinc/23/76/18/1332237618.db2.gz GVVHRJIWZCSHPP-QGZVFWFLSA-N 2 2 341.459 2.148 10 0 EEAELP CCC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc2cc[nH]c2c1 ZINC001317544035 1332291126 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YRHGUCOGEINJCF-CABCVRRESA-N 2 2 346.500 2.186 10 0 EEAELP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001319735967 1332754002 /nfs/dbraw/zinc/75/40/02/1332754002.db2.gz LIISJRVOLOTCGS-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001319735967 1332754004 /nfs/dbraw/zinc/75/40/04/1332754004.db2.gz LIISJRVOLOTCGS-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C ZINC001319957694 1332802129 /nfs/dbraw/zinc/80/21/29/1332802129.db2.gz JMOYZGANCKKNMB-OAHLLOKOSA-N 2 2 349.866 2.240 10 0 EEAELP C[C@@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CCc1[nH+]ccn1C ZINC001320502180 1332898653 /nfs/dbraw/zinc/89/86/53/1332898653.db2.gz WXPLGKSFPNZMAJ-KBPBESRZSA-N 2 2 342.434 2.273 10 0 EEAELP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001320780447 1332951645 /nfs/dbraw/zinc/95/16/45/1332951645.db2.gz QRSQHLJKWDTJBR-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP 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ISINVZNJTCLUSZ-UHFFFAOYSA-N 2 2 348.516 2.123 10 0 EEAELP C[NH+]1CCC(CC(=O)NCC2=CC[N@@H+](Cc3nccs3)CC2)CC1 ZINC001571696048 1343278277 /nfs/dbraw/zinc/27/82/77/1343278277.db2.gz ISINVZNJTCLUSZ-UHFFFAOYSA-N 2 2 348.516 2.123 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCOc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001676651433 1357174892 /nfs/dbraw/zinc/17/48/92/1357174892.db2.gz YJJWTMYJWWZJNN-CRAIPNDOSA-N 2 2 342.443 2.000 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCOc2ccccc2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001676651433 1357174893 /nfs/dbraw/zinc/17/48/93/1357174893.db2.gz YJJWTMYJWWZJNN-CRAIPNDOSA-N 2 2 342.443 2.000 10 0 EEAELP Cc1nsc(C)c1C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001691756496 1357374617 /nfs/dbraw/zinc/37/46/17/1357374617.db2.gz KMGZNQJXYREUFC-UHFFFAOYSA-N 2 2 349.504 2.442 10 0 EEAELP Cc1nsc(C)c1C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001691756496 1357374621 /nfs/dbraw/zinc/37/46/21/1357374621.db2.gz KMGZNQJXYREUFC-UHFFFAOYSA-N 2 2 349.504 2.442 10 0 EEAELP CNc1cc(CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc[nH+]1 ZINC001646934521 1353056356 /nfs/dbraw/zinc/05/63/56/1353056356.db2.gz BVXUTQSBWAEELU-UHFFFAOYSA-N 2 2 345.422 2.194 10 0 EEAELP CNc1cc(CNC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc[nH+]1 ZINC001646934521 1353056360 /nfs/dbraw/zinc/05/63/60/1353056360.db2.gz BVXUTQSBWAEELU-UHFFFAOYSA-N 2 2 345.422 2.194 10 0 EEAELP CCNc1cc(CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)cc[nH+]1 ZINC001646949531 1353066846 /nfs/dbraw/zinc/06/68/46/1353066846.db2.gz KZSKUXRXEHJDOD-ULQDDVLXSA-N 2 2 345.491 2.385 10 0 EEAELP CNc1cc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc[nH+]1 ZINC001649310658 1353472764 /nfs/dbraw/zinc/47/27/64/1353472764.db2.gz FIPFFCMKQSWLAF-UHFFFAOYSA-N 2 2 333.480 2.387 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(o3)CCCC4)CC2)CC1 ZINC001650538195 1353979951 /nfs/dbraw/zinc/97/99/51/1353979951.db2.gz NJXBIKCMTHZADL-UHFFFAOYSA-N 2 2 345.487 2.447 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1)n1cc[nH+]c1 ZINC001661659041 1354669578 /nfs/dbraw/zinc/66/95/78/1354669578.db2.gz UMKBUIZLEAEJEJ-AEGPPILISA-N 2 2 347.850 2.320 10 0 EEAELP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001666223264 1355488282 /nfs/dbraw/zinc/48/82/82/1355488282.db2.gz GCJSXRZINGXATE-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc2ccccc2o1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001668223540 1355902247 /nfs/dbraw/zinc/90/22/47/1355902247.db2.gz AGCVAOFDCYOKHH-ZDUSSCGKSA-N 2 2 326.400 2.383 10 0 EEAELP CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)CCc1c[nH]c[nH+]1 ZINC001668450122 1355943548 /nfs/dbraw/zinc/94/35/48/1355943548.db2.gz SZYIBRFPVXZUSW-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP CCN(CC[NH2+]Cc1cc(F)ccc1C)C(=O)CCc1c[nH+]c[nH]1 ZINC001668450122 1355943551 /nfs/dbraw/zinc/94/35/51/1355943551.db2.gz SZYIBRFPVXZUSW-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001669063206 1356080632 /nfs/dbraw/zinc/08/06/32/1356080632.db2.gz GPHWQVMSVGMFPH-CWIOURORSA-N 2 2 338.455 2.334 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccsc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001669330660 1356146751 /nfs/dbraw/zinc/14/67/51/1356146751.db2.gz DTPRTTNDIJVFBF-GDBMZVCRSA-N 2 2 346.500 2.234 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N(CC[NH2+]CCF)Cc1ccccc1 ZINC001672392833 1356514217 /nfs/dbraw/zinc/51/42/17/1356514217.db2.gz QTTVTAOXAJJOJH-KRWDZBQOSA-N 2 2 344.434 2.033 10 0 EEAELP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001674249075 1356807242 /nfs/dbraw/zinc/80/72/42/1356807242.db2.gz HPUHAICKEZEYSD-NWDGAFQWSA-N 2 2 347.290 2.031 10 0 EEAELP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001675916533 1357069114 /nfs/dbraw/zinc/06/91/14/1357069114.db2.gz YCHWLGLLSRVKHK-IAOVAPTHSA-N 2 2 341.459 2.291 10 0 EEAELP Cc1ncccc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001675916533 1357069117 /nfs/dbraw/zinc/06/91/17/1357069117.db2.gz YCHWLGLLSRVKHK-IAOVAPTHSA-N 2 2 341.459 2.291 10 0 EEAELP Cc1nc(N(C)CCNC(=O)CCCC[NH+]2CCCC2)c(C)c(C)[nH+]1 ZINC001688339845 1358922467 /nfs/dbraw/zinc/92/24/67/1358922467.db2.gz NTGGJFCKOWCBMC-UHFFFAOYSA-N 2 2 347.507 2.220 10 0 EEAELP Cc1ccncc1C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001698680693 1405016462 /nfs/dbraw/zinc/01/64/62/1405016462.db2.gz CAMUZNKYTZWVAL-INIZCTEOSA-N 2 2 341.459 2.074 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccns1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001699116616 1405270764 /nfs/dbraw/zinc/27/07/64/1405270764.db2.gz ZTPXABMPNYMPDU-GFCCVEGCSA-N 2 2 343.456 2.360 10 0 EEAELP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001699517216 1405368907 /nfs/dbraw/zinc/36/89/07/1405368907.db2.gz LKWVSIZJVGPAHB-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001699946741 1405596652 /nfs/dbraw/zinc/59/66/52/1405596652.db2.gz DIVAFKKUYQAVFY-SJLPKXTDSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1cc(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cc(C)[nH+]1 ZINC000922927821 788357725 /nfs/dbraw/zinc/35/77/25/788357725.db2.gz XQSNKQPHEBBDFM-HZPDHXFCSA-N 2 2 334.489 2.077 10 0 EEAELP Cc1cc(CNC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cc(C)[nH+]1 ZINC000922927821 788357734 /nfs/dbraw/zinc/35/77/34/788357734.db2.gz XQSNKQPHEBBDFM-HZPDHXFCSA-N 2 2 334.489 2.077 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000921525308 788843965 /nfs/dbraw/zinc/84/39/65/788843965.db2.gz QMWADSUDULATPT-CWJKEVGVSA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000921525308 788843970 /nfs/dbraw/zinc/84/39/70/788843970.db2.gz QMWADSUDULATPT-CWJKEVGVSA-N 2 2 344.499 2.200 10 0 EEAELP FC(F)(F)c1cccc(OCCCCN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000923461088 789594307 /nfs/dbraw/zinc/59/43/07/789594307.db2.gz LRVGLBCNZRIXQE-UHFFFAOYSA-N 2 2 345.409 2.359 10 0 EEAELP FC(F)(F)c1cccc(OCCCC[N@@H+]2CCNCC[NH2+]CC2)c1 ZINC000923461088 789594317 /nfs/dbraw/zinc/59/43/17/789594317.db2.gz LRVGLBCNZRIXQE-UHFFFAOYSA-N 2 2 345.409 2.359 10 0 EEAELP FC(F)(F)c1cccc(OCCCC[N@H+]2CCNCC[NH2+]CC2)c1 ZINC000923461088 789594324 /nfs/dbraw/zinc/59/43/24/789594324.db2.gz LRVGLBCNZRIXQE-UHFFFAOYSA-N 2 2 345.409 2.359 10 0 EEAELP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000952994142 796139864 /nfs/dbraw/zinc/13/98/64/796139864.db2.gz MOXPHUNDRJKOPE-LJQANCHMSA-N 2 2 329.488 2.281 10 0 EEAELP NC(=O)[C@H]1CCC[N@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000952994142 796139868 /nfs/dbraw/zinc/13/98/68/796139868.db2.gz MOXPHUNDRJKOPE-LJQANCHMSA-N 2 2 329.488 2.281 10 0 EEAELP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCS1(=O)=O ZINC000716710146 796444185 /nfs/dbraw/zinc/44/41/85/796444185.db2.gz WMQIPJPQHPVVHF-LZBKUMLDSA-N 2 2 348.512 2.205 10 0 EEAELP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCS1(=O)=O ZINC000716710146 796444187 /nfs/dbraw/zinc/44/41/87/796444187.db2.gz WMQIPJPQHPVVHF-LZBKUMLDSA-N 2 2 348.512 2.205 10 0 EEAELP O=c1[nH]c2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)c2o1 ZINC000921860524 797688977 /nfs/dbraw/zinc/68/89/77/797688977.db2.gz RPNJVSBZYVXCPJ-CVEARBPZSA-N 2 2 331.416 2.001 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001436911422 1088567675 /nfs/dbraw/zinc/56/76/75/1088567675.db2.gz GVGZHTJZRFGLAA-BPNCWPANSA-N 2 2 347.488 2.099 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001436911422 1088567683 /nfs/dbraw/zinc/56/76/83/1088567683.db2.gz GVGZHTJZRFGLAA-BPNCWPANSA-N 2 2 347.488 2.099 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)c1 ZINC001436952742 1088639447 /nfs/dbraw/zinc/63/94/47/1088639447.db2.gz LFKKXKKDTSRNGL-IYBDPMFKSA-N 2 2 344.434 2.237 10 0 EEAELP Cc1cnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001436967303 1088658593 /nfs/dbraw/zinc/65/85/93/1088658593.db2.gz PGOPLJDLDJNQSD-BEAPCOKYSA-N 2 2 331.420 2.129 10 0 EEAELP CC[C@H](C(=O)NCC[N@H+](C)Cc1nc(-c2ccco2)oc1C)[NH+](C)C ZINC001437545810 1090006261 /nfs/dbraw/zinc/00/62/61/1090006261.db2.gz PIDARHVYZCWDAD-OAHLLOKOSA-N 2 2 348.447 2.131 10 0 EEAELP CC[C@H](C(=O)NCC[N@@H+](C)Cc1nc(-c2ccco2)oc1C)[NH+](C)C ZINC001437545810 1090006272 /nfs/dbraw/zinc/00/62/72/1090006272.db2.gz PIDARHVYZCWDAD-OAHLLOKOSA-N 2 2 348.447 2.131 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)Cc1cc(C)ns1 ZINC001437626219 1090140140 /nfs/dbraw/zinc/14/01/40/1090140140.db2.gz QKYCMPNPSWOPNV-UHFFFAOYSA-N 2 2 349.504 2.410 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)Cc1cc(C)ns1 ZINC001437626219 1090140141 /nfs/dbraw/zinc/14/01/41/1090140141.db2.gz QKYCMPNPSWOPNV-UHFFFAOYSA-N 2 2 349.504 2.410 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001437903948 1090484193 /nfs/dbraw/zinc/48/41/93/1090484193.db2.gz IYPWNGCFVFTZBW-SFHVURJKSA-N 2 2 348.466 2.129 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001437903948 1090484194 /nfs/dbraw/zinc/48/41/94/1090484194.db2.gz IYPWNGCFVFTZBW-SFHVURJKSA-N 2 2 348.466 2.129 10 0 EEAELP C[C@@H](CC(=O)NCC[C@H]1CC[N@H+](CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001437934462 1090527297 /nfs/dbraw/zinc/52/72/97/1090527297.db2.gz GDLWAYCAWJREGE-IRXDYDNUSA-N 2 2 348.491 2.089 10 0 EEAELP C[C@@H](CC(=O)NCC[C@H]1CC[N@@H+](CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001437934462 1090527300 /nfs/dbraw/zinc/52/73/00/1090527300.db2.gz GDLWAYCAWJREGE-IRXDYDNUSA-N 2 2 348.491 2.089 10 0 EEAELP Cc1ccncc1C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438710031 1091226809 /nfs/dbraw/zinc/22/68/09/1091226809.db2.gz PISFJEMGINTUGB-CQSZACIVSA-N 2 2 329.448 2.027 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001445494785 1091272206 /nfs/dbraw/zinc/27/22/06/1091272206.db2.gz BSRQQRAKGZHPDU-GDBMZVCRSA-N 2 2 348.491 2.022 10 0 EEAELP C[C@@H](C[NH2+]C/C(Cl)=C/Cl)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001445537842 1091306568 /nfs/dbraw/zinc/30/65/68/1091306568.db2.gz MAEAEBGSFSZSBW-ZWIPKHHJSA-N 2 2 345.274 2.175 10 0 EEAELP C[C@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001438772482 1091358211 /nfs/dbraw/zinc/35/82/11/1091358211.db2.gz QFRQYKUWPAOXRR-QWHCGFSZSA-N 2 2 345.274 2.419 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CCn2cc[nH+]c2)co1 ZINC001445893578 1091821959 /nfs/dbraw/zinc/82/19/59/1091821959.db2.gz TXLSBANGFJFSSD-RDJZCZTQSA-N 2 2 345.447 2.034 10 0 EEAELP CCO[C@@H](C[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001439349159 1092059335 /nfs/dbraw/zinc/05/93/35/1092059335.db2.gz OJHQWNUHIKYRMQ-PBHICJAKSA-N 2 2 344.459 2.200 10 0 EEAELP CCO[C@@H](C[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001439349159 1092059342 /nfs/dbraw/zinc/05/93/42/1092059342.db2.gz OJHQWNUHIKYRMQ-PBHICJAKSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2cc3ccccc3o2)C1 ZINC001439545890 1092415821 /nfs/dbraw/zinc/41/58/21/1092415821.db2.gz JPLGNEVXELNEQR-NVXWUHKLSA-N 2 2 341.455 2.465 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2cc3ccccc3o2)C1 ZINC001439545890 1092415826 /nfs/dbraw/zinc/41/58/26/1092415826.db2.gz JPLGNEVXELNEQR-NVXWUHKLSA-N 2 2 341.455 2.465 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC001439545890 1092415828 /nfs/dbraw/zinc/41/58/28/1092415828.db2.gz JPLGNEVXELNEQR-NVXWUHKLSA-N 2 2 341.455 2.465 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC001439545890 1092415829 /nfs/dbraw/zinc/41/58/29/1092415829.db2.gz JPLGNEVXELNEQR-NVXWUHKLSA-N 2 2 341.455 2.465 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H]1CCc2c1cc(F)cc2F ZINC001439548076 1092417232 /nfs/dbraw/zinc/41/72/32/1092417232.db2.gz ACYWEJNXRNITCC-SUMWQHHRSA-N 2 2 337.414 2.094 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCc2c1cc(F)cc2F ZINC001439548076 1092417238 /nfs/dbraw/zinc/41/72/38/1092417238.db2.gz ACYWEJNXRNITCC-SUMWQHHRSA-N 2 2 337.414 2.094 10 0 EEAELP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001439577250 1092471097 /nfs/dbraw/zinc/47/10/97/1092471097.db2.gz CJAUGAGEFLQYLQ-IRXDYDNUSA-N 2 2 326.444 2.452 10 0 EEAELP Cc1ccc(C)c([C@H](C)[N@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001439577250 1092471104 /nfs/dbraw/zinc/47/11/04/1092471104.db2.gz CJAUGAGEFLQYLQ-IRXDYDNUSA-N 2 2 326.444 2.452 10 0 EEAELP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(F)(F)F ZINC001446324430 1092519508 /nfs/dbraw/zinc/51/95/08/1092519508.db2.gz VJKFPEJHVZRXKE-OKILXGFUSA-N 2 2 335.414 2.346 10 0 EEAELP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC(F)(F)F ZINC001446324430 1092519520 /nfs/dbraw/zinc/51/95/20/1092519520.db2.gz VJKFPEJHVZRXKE-OKILXGFUSA-N 2 2 335.414 2.346 10 0 EEAELP CC[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001446324430 1092519527 /nfs/dbraw/zinc/51/95/27/1092519527.db2.gz VJKFPEJHVZRXKE-OKILXGFUSA-N 2 2 335.414 2.346 10 0 EEAELP CC[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001446324430 1092519542 /nfs/dbraw/zinc/51/95/42/1092519542.db2.gz VJKFPEJHVZRXKE-OKILXGFUSA-N 2 2 335.414 2.346 10 0 EEAELP 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Cc1cc(C[NH2+][C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)C)no1 ZINC001444921364 1100009602 /nfs/dbraw/zinc/00/96/02/1100009602.db2.gz WBNIFJODJUHRAQ-CZUORRHYSA-N 2 2 333.436 2.061 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001445114824 1100357353 /nfs/dbraw/zinc/35/73/53/1100357353.db2.gz OMFHEQWNKFAYMV-HOTGVXAUSA-N 2 2 345.447 2.034 10 0 EEAELP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001480548555 1100384419 /nfs/dbraw/zinc/38/44/19/1100384419.db2.gz LHLJFXYRCSFLJT-GDBMZVCRSA-N 2 2 336.480 2.094 10 0 EEAELP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)o1 ZINC001480548555 1100384428 /nfs/dbraw/zinc/38/44/28/1100384428.db2.gz LHLJFXYRCSFLJT-GDBMZVCRSA-N 2 2 336.480 2.094 10 0 EEAELP CC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CCCC1 ZINC001446489551 1100928214 /nfs/dbraw/zinc/92/82/14/1100928214.db2.gz MGYLDNTWDUZEDH-SJORKVTESA-N 2 2 333.480 2.075 10 0 EEAELP CC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CCCC1 ZINC001446489551 1100928223 /nfs/dbraw/zinc/92/82/23/1100928223.db2.gz MGYLDNTWDUZEDH-SJORKVTESA-N 2 2 333.480 2.075 10 0 EEAELP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)CCc3c[nH]c[nH+]3)C2)sn1 ZINC001446575611 1101062044 /nfs/dbraw/zinc/06/20/44/1101062044.db2.gz AGTAGFJYZYBEMA-KRWDZBQOSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)CCc3c[nH+]c[nH]3)C2)sn1 ZINC001446575611 1101062052 /nfs/dbraw/zinc/06/20/52/1101062052.db2.gz AGTAGFJYZYBEMA-KRWDZBQOSA-N 2 2 347.488 2.136 10 0 EEAELP C[N@H+](CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1)CCC(F)(F)F ZINC001496513476 1101113043 /nfs/dbraw/zinc/11/30/43/1101113043.db2.gz QGFYISYRKMKEBT-UHFFFAOYSA-N 2 2 346.397 2.396 10 0 EEAELP C[N@@H+](CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1)CCC(F)(F)F ZINC001496513476 1101113048 /nfs/dbraw/zinc/11/30/48/1101113048.db2.gz QGFYISYRKMKEBT-UHFFFAOYSA-N 2 2 346.397 2.396 10 0 EEAELP Cc1oncc1C[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001496617103 1101222289 /nfs/dbraw/zinc/22/22/89/1101222289.db2.gz OGMSRKUYXVJFMN-CJNGLKHVSA-N 2 2 333.436 2.061 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001496754507 1101407743 /nfs/dbraw/zinc/40/77/43/1101407743.db2.gz POAPZQXZWXVUMI-INIZCTEOSA-N 2 2 344.459 2.433 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)CCN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001496754507 1101407748 /nfs/dbraw/zinc/40/77/48/1101407748.db2.gz POAPZQXZWXVUMI-INIZCTEOSA-N 2 2 344.459 2.433 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001446926172 1101605768 /nfs/dbraw/zinc/60/57/68/1101605768.db2.gz SBXMIOLGHNJPIZ-BQFCYCMXSA-N 2 2 330.476 2.122 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001446926172 1101605777 /nfs/dbraw/zinc/60/57/77/1101605777.db2.gz SBXMIOLGHNJPIZ-BQFCYCMXSA-N 2 2 330.476 2.122 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccsc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001497217861 1102140948 /nfs/dbraw/zinc/14/09/48/1102140948.db2.gz MESXTOVGKQUXEI-HIFRSBDPSA-N 2 2 332.473 2.192 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001496171945 1102166690 /nfs/dbraw/zinc/16/66/90/1102166690.db2.gz UYOAGYIGDGUMFR-INIZCTEOSA-N 2 2 328.460 2.330 10 0 EEAELP CC[C@@H](F)C[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC001447200451 1102190339 /nfs/dbraw/zinc/19/03/39/1102190339.db2.gz QWRYGUBSKNLLRW-CQSZACIVSA-N 2 2 336.455 2.139 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001447575733 1102902637 /nfs/dbraw/zinc/90/26/37/1102902637.db2.gz GNBGFAVWYCMJSN-INIZCTEOSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001447575733 1102902644 /nfs/dbraw/zinc/90/26/44/1102902644.db2.gz GNBGFAVWYCMJSN-INIZCTEOSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001497838429 1103171376 /nfs/dbraw/zinc/17/13/76/1103171376.db2.gz AIUWCWFEURUDNQ-SJLPKXTDSA-N 2 2 340.471 2.357 10 0 EEAELP CO[C@H](C[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001497853759 1103198391 /nfs/dbraw/zinc/19/83/91/1103198391.db2.gz RVJSLQUPMJJBGN-RHSMWYFYSA-N 2 2 344.459 2.247 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)c(C)o1 ZINC001447777611 1103307852 /nfs/dbraw/zinc/30/78/52/1103307852.db2.gz WSXUIIMHGQDOAM-MRXNPFEDSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)c(C)o1 ZINC001447777611 1103307870 /nfs/dbraw/zinc/30/78/70/1103307870.db2.gz WSXUIIMHGQDOAM-MRXNPFEDSA-N 2 2 348.491 2.056 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC001447817220 1103379424 /nfs/dbraw/zinc/37/94/24/1103379424.db2.gz DFPOGJMRXQUHDM-UHFFFAOYSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)n1 ZINC001447860493 1103464689 /nfs/dbraw/zinc/46/46/89/1103464689.db2.gz SKADXRZDMAZVSW-KGLIPLIRSA-N 2 2 329.448 2.037 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)n1 ZINC001447860493 1103464694 /nfs/dbraw/zinc/46/46/94/1103464694.db2.gz SKADXRZDMAZVSW-KGLIPLIRSA-N 2 2 329.448 2.037 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC001447928373 1103620418 /nfs/dbraw/zinc/62/04/18/1103620418.db2.gz LKXFDZWOJXLOFT-ZIAGYGMSSA-N 2 2 348.878 2.342 10 0 EEAELP C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447936611 1103641529 /nfs/dbraw/zinc/64/15/29/1103641529.db2.gz UDUHJLHZKKOYGI-OLZOCXBDSA-N 2 2 334.851 2.299 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCc1ccccc1 ZINC001448047246 1103889513 /nfs/dbraw/zinc/88/95/13/1103889513.db2.gz OTAZTQVCBYNTJI-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCc1ccccc1 ZINC001448047246 1103889524 /nfs/dbraw/zinc/88/95/24/1103889524.db2.gz OTAZTQVCBYNTJI-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001494329762 1103902052 /nfs/dbraw/zinc/90/20/52/1103902052.db2.gz VVLWFHDXVGCGQX-KRWDZBQOSA-N 2 2 336.455 2.033 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001494329762 1103902055 /nfs/dbraw/zinc/90/20/55/1103902055.db2.gz VVLWFHDXVGCGQX-KRWDZBQOSA-N 2 2 336.455 2.033 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC1=CCCCC1 ZINC001495011637 1104654090 /nfs/dbraw/zinc/65/40/90/1104654090.db2.gz JWXZPIKCUACDTE-SJORKVTESA-N 2 2 330.476 2.430 10 0 EEAELP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001480798463 1107135761 /nfs/dbraw/zinc/13/57/61/1107135761.db2.gz FSSCXPSMRGTNGI-ABAIWWIYSA-N 2 2 348.397 2.402 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498322539 1107289927 /nfs/dbraw/zinc/28/99/27/1107289927.db2.gz GTCUVYLEMUJTSO-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498322539 1107289940 /nfs/dbraw/zinc/28/99/40/1107289940.db2.gz GTCUVYLEMUJTSO-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001493212143 1107692014 /nfs/dbraw/zinc/69/20/14/1107692014.db2.gz LHESAEQDQZXJSB-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP CCCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001493212143 1107692022 /nfs/dbraw/zinc/69/20/22/1107692022.db2.gz LHESAEQDQZXJSB-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(F)cc1F ZINC001498632418 1107848353 /nfs/dbraw/zinc/84/83/53/1107848353.db2.gz HKOAIDISKJPIDA-GFCCVEGCSA-N 2 2 336.386 2.430 10 0 EEAELP CN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001493762693 1108638195 /nfs/dbraw/zinc/63/81/95/1108638195.db2.gz DQBISCPSGQHKJF-MRXNPFEDSA-N 2 2 326.444 2.423 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C(F)F)cc1)C(=O)Cc1c[nH+]cn1C ZINC001493763289 1108638811 /nfs/dbraw/zinc/63/88/11/1108638811.db2.gz JZLRIARNIAKIJR-UHFFFAOYSA-N 2 2 336.386 2.148 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001473764931 1110579710 /nfs/dbraw/zinc/57/97/10/1110579710.db2.gz YTANPCVJJVXECP-UHFFFAOYSA-N 2 2 337.431 2.149 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)c(C)o1 ZINC001499421194 1112278423 /nfs/dbraw/zinc/27/84/23/1112278423.db2.gz MHHOJFSRDFWPFJ-HOTGVXAUSA-N 2 2 348.491 2.150 10 0 EEAELP COCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001499481869 1112314225 /nfs/dbraw/zinc/31/42/25/1112314225.db2.gz QZSHDNIUKBIWCC-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001499481869 1112314226 /nfs/dbraw/zinc/31/42/26/1112314226.db2.gz QZSHDNIUKBIWCC-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001499481869 1112314230 /nfs/dbraw/zinc/31/42/30/1112314230.db2.gz QZSHDNIUKBIWCC-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001499481869 1112314233 /nfs/dbraw/zinc/31/42/33/1112314233.db2.gz QZSHDNIUKBIWCC-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1ncoc1C[NH+]1CCC(C)(CNC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001500428660 1112824813 /nfs/dbraw/zinc/82/48/13/1112824813.db2.gz NFQRBBUMPIECOD-UHFFFAOYSA-N 2 2 345.447 2.057 10 0 EEAELP CC(C)(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500620398 1112982189 /nfs/dbraw/zinc/98/21/89/1112982189.db2.gz MEWKBKXVMZJLSU-AWEZNQCLSA-N 2 2 342.434 2.393 10 0 EEAELP CC(C)(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500620398 1112982193 /nfs/dbraw/zinc/98/21/93/1112982193.db2.gz MEWKBKXVMZJLSU-AWEZNQCLSA-N 2 2 342.434 2.393 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cs1 ZINC001501632337 1113407435 /nfs/dbraw/zinc/40/74/35/1113407435.db2.gz PBMXYFDGMMNNAT-CQSZACIVSA-N 2 2 332.473 2.351 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)o1 ZINC001501637256 1113409565 /nfs/dbraw/zinc/40/95/65/1113409565.db2.gz FSQNFULSSJYNLW-AWEZNQCLSA-N 2 2 345.447 2.012 10 0 EEAELP O=C(NCC1([NH2+]CCCCCF)CCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001501971065 1113542744 /nfs/dbraw/zinc/54/27/44/1113542744.db2.gz OJWOSDGGGXSQSC-HNNXBMFYSA-N 2 2 336.455 2.214 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCc2ccc(Cl)cc2)CCC1 ZINC001502031070 1113565443 /nfs/dbraw/zinc/56/54/43/1113565443.db2.gz VJRHDGUBMZYELV-UHFFFAOYSA-N 2 2 346.862 2.408 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001502838504 1113830337 /nfs/dbraw/zinc/83/03/37/1113830337.db2.gz HSYSBODTWVJYDD-HOTGVXAUSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001502838504 1113830341 /nfs/dbraw/zinc/83/03/41/1113830341.db2.gz HSYSBODTWVJYDD-HOTGVXAUSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001502838504 1113830347 /nfs/dbraw/zinc/83/03/47/1113830347.db2.gz HSYSBODTWVJYDD-HOTGVXAUSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001502838504 1113830352 /nfs/dbraw/zinc/83/03/52/1113830352.db2.gz 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C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453266201 287032667 /nfs/dbraw/zinc/03/26/67/287032667.db2.gz OBCQKEFZWDBESS-MJGOQNOKSA-N 3 2 349.519 2.124 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000364570798 165190826 /nfs/dbraw/zinc/19/08/26/165190826.db2.gz RQAHUWUTXSNQJX-KGLIPLIRSA-N 2 2 330.476 2.239 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000364570798 165190830 /nfs/dbraw/zinc/19/08/30/165190830.db2.gz RQAHUWUTXSNQJX-KGLIPLIRSA-N 2 2 330.476 2.239 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000364570798 165190838 /nfs/dbraw/zinc/19/08/38/165190838.db2.gz RQAHUWUTXSNQJX-KGLIPLIRSA-N 2 2 330.476 2.239 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000364570798 165190841 /nfs/dbraw/zinc/19/08/41/165190841.db2.gz RQAHUWUTXSNQJX-KGLIPLIRSA-N 2 2 330.476 2.239 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000375303487 167107596 /nfs/dbraw/zinc/10/75/96/167107596.db2.gz QXDKXDBXIKFHLU-GOSISDBHSA-N 2 2 345.535 2.376 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000375303487 167107599 /nfs/dbraw/zinc/10/75/99/167107599.db2.gz QXDKXDBXIKFHLU-GOSISDBHSA-N 2 2 345.535 2.376 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC[N@@H+]1C ZINC000279300872 269268772 /nfs/dbraw/zinc/26/87/72/269268772.db2.gz ZWPYHOPBCHVTMG-XEZPLFJOSA-N 2 2 339.430 2.414 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC[N@H+]1C ZINC000279300872 269268773 /nfs/dbraw/zinc/26/87/73/269268773.db2.gz ZWPYHOPBCHVTMG-XEZPLFJOSA-N 2 2 339.430 2.414 10 0 EEAELP COc1ccccc1C1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCC1 ZINC000423035443 278047388 /nfs/dbraw/zinc/04/73/88/278047388.db2.gz JLTNPBMHBGGBKG-RBUKOAKNSA-N 2 2 330.472 2.474 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CS(C)(=O)=O ZINC000377116055 278260140 /nfs/dbraw/zinc/26/01/40/278260140.db2.gz QVUJDOPUBWIOIM-GJZGRUSLSA-N 2 2 339.505 2.080 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CS(C)(=O)=O ZINC000377116055 278260142 /nfs/dbraw/zinc/26/01/42/278260142.db2.gz QVUJDOPUBWIOIM-GJZGRUSLSA-N 2 2 339.505 2.080 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000358220484 288072966 /nfs/dbraw/zinc/07/29/66/288072966.db2.gz JWLAXBIDLWECFK-GDAAHCPNSA-N 2 2 327.476 2.494 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000358220484 288072968 /nfs/dbraw/zinc/07/29/68/288072968.db2.gz JWLAXBIDLWECFK-GDAAHCPNSA-N 2 2 327.476 2.494 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000358220486 288073137 /nfs/dbraw/zinc/07/31/37/288073137.db2.gz JWLAXBIDLWECFK-KANFNMMFSA-N 2 2 327.476 2.494 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000358220486 288073139 /nfs/dbraw/zinc/07/31/39/288073139.db2.gz JWLAXBIDLWECFK-KANFNMMFSA-N 2 2 327.476 2.494 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000339566380 295128981 /nfs/dbraw/zinc/12/89/81/295128981.db2.gz JYOHDPURXLQCIJ-IRXDYDNUSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000339566380 295128982 /nfs/dbraw/zinc/12/89/82/295128982.db2.gz JYOHDPURXLQCIJ-IRXDYDNUSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000339566380 295128983 /nfs/dbraw/zinc/12/89/83/295128983.db2.gz JYOHDPURXLQCIJ-IRXDYDNUSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](C)[C@@H]3C)CC2)cc1 ZINC000339566380 295128984 /nfs/dbraw/zinc/12/89/84/295128984.db2.gz JYOHDPURXLQCIJ-IRXDYDNUSA-N 2 2 345.487 2.070 10 0 EEAELP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416935858 313366058 /nfs/dbraw/zinc/36/60/58/313366058.db2.gz GZQJVLGNTVLPMK-RISCZKNCSA-N 2 2 335.839 2.304 10 0 EEAELP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000417081734 313416480 /nfs/dbraw/zinc/41/64/80/313416480.db2.gz UCTDYOYZAYNZBO-MAUKXSAKSA-N 2 2 341.459 2.200 10 0 EEAELP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(C3CCCC3)no2)CC1 ZINC000451996056 315477650 /nfs/dbraw/zinc/47/76/50/315477650.db2.gz XTUYUGQHRREUJT-UHFFFAOYSA-N 2 2 335.496 2.233 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000520830526 316881812 /nfs/dbraw/zinc/88/18/12/316881812.db2.gz LHQIBXZVOXYAAX-UHFFFAOYSA-N 2 2 326.391 2.062 10 0 EEAELP Cc1nc(N2CC[NH+](CCN3CCCc4ccccc43)CC2)cc[nH+]1 ZINC000546104971 318244253 /nfs/dbraw/zinc/24/42/53/318244253.db2.gz SVMSCLDFJFDHHL-UHFFFAOYSA-N 2 2 337.471 2.360 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)C1CCSCC1 ZINC000548307494 318373508 /nfs/dbraw/zinc/37/35/08/318373508.db2.gz NXMVMVUEFHLBNI-DZGCQCFKSA-N 2 2 336.505 2.032 10 0 EEAELP Clc1ccc2nc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000566089236 319242727 /nfs/dbraw/zinc/24/27/27/319242727.db2.gz IVWYHIGXAIHWNT-OWCLPIDISA-N 2 2 334.851 2.234 10 0 EEAELP [NH3+]Cc1ccc(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000567266669 319365117 /nfs/dbraw/zinc/36/51/17/319365117.db2.gz DNVUMOXDUMKPKJ-UHFFFAOYSA-N 2 2 339.443 2.009 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567819997 319422809 /nfs/dbraw/zinc/42/28/09/319422809.db2.gz CTHNGKKCFRODFI-XJKSGUPXSA-N 2 2 327.432 2.232 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C1CC1 ZINC000577614921 320266011 /nfs/dbraw/zinc/26/60/11/320266011.db2.gz YPZIYQAJPUFRSG-BEFAXECRSA-N 2 2 344.503 2.201 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C1CC1 ZINC000577614921 320266013 /nfs/dbraw/zinc/26/60/13/320266013.db2.gz YPZIYQAJPUFRSG-BEFAXECRSA-N 2 2 344.503 2.201 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000185175016 323432752 /nfs/dbraw/zinc/43/27/52/323432752.db2.gz ZGCJIONZIKBHKS-UHFFFAOYSA-N 2 2 345.447 2.378 10 0 EEAELP Cc1cc(NCC[NH2+]C[C@H](O)COc2ccccc2)nc(C(C)C)[nH+]1 ZINC000629594313 450754452 /nfs/dbraw/zinc/75/44/52/450754452.db2.gz QOPAYMADUJRIJW-INIZCTEOSA-N 2 2 344.459 2.350 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000127426789 462551338 /nfs/dbraw/zinc/55/13/38/462551338.db2.gz JMSUNLXZFWGFOO-QFBILLFUSA-N 2 2 345.487 2.074 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000127426789 462551342 /nfs/dbraw/zinc/55/13/42/462551342.db2.gz JMSUNLXZFWGFOO-QFBILLFUSA-N 2 2 345.487 2.074 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000296108597 465083178 /nfs/dbraw/zinc/08/31/78/465083178.db2.gz GOODUPRDSMSPNH-AWEZNQCLSA-N 2 2 331.420 2.132 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435107 465270660 /nfs/dbraw/zinc/27/06/60/465270660.db2.gz VIGBACJZRHGKFU-HXUWFJFHSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339435107 465270666 /nfs/dbraw/zinc/27/06/66/465270666.db2.gz VIGBACJZRHGKFU-HXUWFJFHSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339435107 465270669 /nfs/dbraw/zinc/27/06/69/465270669.db2.gz VIGBACJZRHGKFU-HXUWFJFHSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339435107 465270675 /nfs/dbraw/zinc/27/06/75/465270675.db2.gz VIGBACJZRHGKFU-HXUWFJFHSA-N 2 2 329.488 2.453 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CC3Cc4ccccc4C3)CC2)cc[nH+]1 ZINC000578944112 468281127 /nfs/dbraw/zinc/28/11/27/468281127.db2.gz UYZPJUGEKIRZJT-UHFFFAOYSA-N 2 2 337.471 2.080 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000074713785 462627755 /nfs/dbraw/zinc/62/77/55/462627755.db2.gz ITYJBWGQQJUIBE-UHFFFAOYSA-N 2 2 345.491 2.035 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000089702170 462710010 /nfs/dbraw/zinc/71/00/10/462710010.db2.gz HIROOLIMVQLUOJ-FUHWJXTLSA-N 2 2 342.418 2.255 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131448806 462810365 /nfs/dbraw/zinc/81/03/65/462810365.db2.gz BERSDSFZPXCPIH-KBXCAEBGSA-N 2 2 331.460 2.170 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131448806 462810366 /nfs/dbraw/zinc/81/03/66/462810366.db2.gz BERSDSFZPXCPIH-KBXCAEBGSA-N 2 2 331.460 2.170 10 0 EEAELP CCc1noc(C)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000155679065 462928004 /nfs/dbraw/zinc/92/80/04/462928004.db2.gz DJSFZTOKSFXABL-UHFFFAOYSA-N 2 2 337.468 2.035 10 0 EEAELP CCc1noc(C)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000155679065 462928009 /nfs/dbraw/zinc/92/80/09/462928009.db2.gz DJSFZTOKSFXABL-UHFFFAOYSA-N 2 2 337.468 2.035 10 0 EEAELP C[C@H]1CN(c2ccc(CNc3cc[nH+]c(N(C)C)n3)c[nH+]2)C[C@H](C)O1 ZINC000077488831 462993563 /nfs/dbraw/zinc/99/35/63/462993563.db2.gz OXHVOZHXBRAJJQ-KBPBESRZSA-N 2 2 342.447 2.163 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123370787 463336181 /nfs/dbraw/zinc/33/61/81/463336181.db2.gz YPKHGVUENZMGJA-MSOLQXFVSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123370787 463336186 /nfs/dbraw/zinc/33/61/86/463336186.db2.gz YPKHGVUENZMGJA-MSOLQXFVSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123370787 463336192 /nfs/dbraw/zinc/33/61/92/463336192.db2.gz YPKHGVUENZMGJA-MSOLQXFVSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123370787 463336197 /nfs/dbraw/zinc/33/61/97/463336197.db2.gz YPKHGVUENZMGJA-MSOLQXFVSA-N 2 2 347.503 2.295 10 0 EEAELP COc1cccc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123648039 463357889 /nfs/dbraw/zinc/35/78/89/463357889.db2.gz HMZZRWWXUYULCD-OAHLLOKOSA-N 2 2 342.443 2.322 10 0 EEAELP COc1cccc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123648039 463357894 /nfs/dbraw/zinc/35/78/94/463357894.db2.gz HMZZRWWXUYULCD-OAHLLOKOSA-N 2 2 342.443 2.322 10 0 EEAELP C[C@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)C[NH+]1CCCCC1 ZINC000057041352 463447620 /nfs/dbraw/zinc/44/76/20/463447620.db2.gz UWEUUPVVMZVUBH-OAHLLOKOSA-N 2 2 333.480 2.069 10 0 EEAELP Cc1cc(-c2nnc(C[N@H+](C)CCCN3CC[NH+](C)CC3)o2)c(C)o1 ZINC000161998458 463476164 /nfs/dbraw/zinc/47/61/64/463476164.db2.gz AGNPAYWJZPNZQI-UHFFFAOYSA-N 2 2 347.463 2.016 10 0 EEAELP Cc1cc(-c2nnc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)o2)c(C)o1 ZINC000161998458 463476167 /nfs/dbraw/zinc/47/61/67/463476167.db2.gz AGNPAYWJZPNZQI-UHFFFAOYSA-N 2 2 347.463 2.016 10 0 EEAELP Cc1ccc(CNC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000105875641 463485219 /nfs/dbraw/zinc/48/52/19/463485219.db2.gz JNSYBIKLWYWZLJ-UHFFFAOYSA-N 2 2 340.471 2.299 10 0 EEAELP CC(C)C1(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000126911975 463670748 /nfs/dbraw/zinc/67/07/48/463670748.db2.gz VSFISTSIKGUDGV-JWTNVVGKSA-N 2 2 348.535 2.375 10 0 EEAELP CC(C)C1(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000126911975 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CCOC(=O)C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCC1 ZINC000420925862 467516034 /nfs/dbraw/zinc/51/60/34/467516034.db2.gz WXWPITBRJCULDL-UHFFFAOYSA-N 2 2 346.471 2.436 10 0 EEAELP CCOC(=O)C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCC1 ZINC000420925862 467516036 /nfs/dbraw/zinc/51/60/36/467516036.db2.gz WXWPITBRJCULDL-UHFFFAOYSA-N 2 2 346.471 2.436 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454878264 467621676 /nfs/dbraw/zinc/62/16/76/467621676.db2.gz WKEHBCPYNIKSAS-QGZVFWFLSA-N 2 2 341.459 2.224 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454878264 467621678 /nfs/dbraw/zinc/62/16/78/467621678.db2.gz WKEHBCPYNIKSAS-QGZVFWFLSA-N 2 2 341.459 2.224 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(-c2cccs2)n1 ZINC000449394303 467636829 /nfs/dbraw/zinc/63/68/29/467636829.db2.gz NPVHNALYJUPPKZ-HNNXBMFYSA-N 2 2 334.489 2.085 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(-c2cccs2)n1 ZINC000449394303 467636831 /nfs/dbraw/zinc/63/68/31/467636831.db2.gz NPVHNALYJUPPKZ-HNNXBMFYSA-N 2 2 334.489 2.085 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000529131910 467814971 /nfs/dbraw/zinc/81/49/71/467814971.db2.gz WXMQDPYGOUQPQG-UHFFFAOYSA-N 2 2 332.835 2.019 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000529131910 467814973 /nfs/dbraw/zinc/81/49/73/467814973.db2.gz WXMQDPYGOUQPQG-UHFFFAOYSA-N 2 2 332.835 2.019 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000458460318 467838303 /nfs/dbraw/zinc/83/83/03/467838303.db2.gz CZRVUCGRSFTBBC-FGTMMUONSA-N 2 2 348.535 2.425 10 0 EEAELP C[NH+]1CCC(CNC(=O)N2CC[C@H]2C2CC2)([NH+]2CCCCC2)CC1 ZINC000458483523 467843834 /nfs/dbraw/zinc/84/38/34/467843834.db2.gz TYKUCEWVHLTIOB-KRWDZBQOSA-N 2 2 334.508 2.131 10 0 EEAELP COc1cccc2c1CN(C[NH+]1CCC(C[NH+]3CCCC3)CC1)C2=O ZINC000530098120 467950414 /nfs/dbraw/zinc/95/04/14/467950414.db2.gz KYZGNBGBOJSKRL-UHFFFAOYSA-N 2 2 343.471 2.416 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000514793825 467955220 /nfs/dbraw/zinc/95/52/20/467955220.db2.gz XDURWZZTMQOPMY-AWEZNQCLSA-N 2 2 334.460 2.219 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000519013783 468136452 /nfs/dbraw/zinc/13/64/52/468136452.db2.gz CXXIQBBPZLIOOA-RDJZCZTQSA-N 2 2 337.414 2.168 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000519013783 468136454 /nfs/dbraw/zinc/13/64/54/468136454.db2.gz CXXIQBBPZLIOOA-RDJZCZTQSA-N 2 2 337.414 2.168 10 0 EEAELP CC[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000519417554 468160003 /nfs/dbraw/zinc/16/00/03/468160003.db2.gz AQQVKGSVPBHSQZ-OAHLLOKOSA-N 2 2 325.403 2.094 10 0 EEAELP CC[C@@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000519417554 468160010 /nfs/dbraw/zinc/16/00/10/468160010.db2.gz AQQVKGSVPBHSQZ-OAHLLOKOSA-N 2 2 325.403 2.094 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000533084957 468167848 /nfs/dbraw/zinc/16/78/48/468167848.db2.gz FYYDCLOETCPKAA-WMZOPIPTSA-N 2 2 326.444 2.309 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC000533084957 468167850 /nfs/dbraw/zinc/16/78/50/468167850.db2.gz FYYDCLOETCPKAA-WMZOPIPTSA-N 2 2 326.444 2.309 10 0 EEAELP COc1cncc(/C=C/CC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000582902884 468613392 /nfs/dbraw/zinc/61/33/92/468613392.db2.gz XHNRZIHBTZXMQF-HWKANZROSA-N 2 2 339.443 2.414 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)o1 ZINC000594616393 468637962 /nfs/dbraw/zinc/63/79/62/468637962.db2.gz ADPAEAITDHPIMH-MRXNPFEDSA-N 2 2 336.432 2.061 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)o1 ZINC000594616393 468637965 /nfs/dbraw/zinc/63/79/65/468637965.db2.gz ADPAEAITDHPIMH-MRXNPFEDSA-N 2 2 336.432 2.061 10 0 EEAELP CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000597946897 468720834 /nfs/dbraw/zinc/72/08/34/468720834.db2.gz SAARJPAJJKHQQU-INIZCTEOSA-N 2 2 346.500 2.429 10 0 EEAELP CCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000597946897 468720840 /nfs/dbraw/zinc/72/08/40/468720840.db2.gz SAARJPAJJKHQQU-INIZCTEOSA-N 2 2 346.500 2.429 10 0 EEAELP Cc1[nH+]cc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)n1C ZINC000571702989 468825669 /nfs/dbraw/zinc/82/56/69/468825669.db2.gz URRKRLUQCRHFOE-UHFFFAOYSA-N 2 2 340.471 2.442 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cn2ccccc2n1 ZINC000572138587 468892910 /nfs/dbraw/zinc/89/29/10/468892910.db2.gz DGRMETYKJHUOBS-JCGIZDLHSA-N 2 2 328.460 2.363 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000584872785 468952171 /nfs/dbraw/zinc/95/21/71/468952171.db2.gz IRGDHLWEUQOHEF-YOEHRIQHSA-N 2 2 345.422 2.008 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000584872785 468952172 /nfs/dbraw/zinc/95/21/72/468952172.db2.gz IRGDHLWEUQOHEF-YOEHRIQHSA-N 2 2 345.422 2.008 10 0 EEAELP CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595890493 469066170 /nfs/dbraw/zinc/06/61/70/469066170.db2.gz DHWKAGTVZGRPGJ-IRXDYDNUSA-N 2 2 332.444 2.134 10 0 EEAELP CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595890493 469066172 /nfs/dbraw/zinc/06/61/72/469066172.db2.gz DHWKAGTVZGRPGJ-IRXDYDNUSA-N 2 2 332.444 2.134 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000562839617 469090013 /nfs/dbraw/zinc/09/00/13/469090013.db2.gz VXHOXGYLXQKUHD-UMSBGXLASA-N 2 2 331.504 2.003 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000562839617 469090020 /nfs/dbraw/zinc/09/00/20/469090020.db2.gz VXHOXGYLXQKUHD-UMSBGXLASA-N 2 2 331.504 2.003 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150259 469182572 /nfs/dbraw/zinc/18/25/72/469182572.db2.gz LTRHXJHNUWLVCQ-UZLBHIALSA-N 2 2 345.487 2.290 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563150259 469182579 /nfs/dbraw/zinc/18/25/79/469182579.db2.gz LTRHXJHNUWLVCQ-UZLBHIALSA-N 2 2 345.487 2.290 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000563210174 469200756 /nfs/dbraw/zinc/20/07/56/469200756.db2.gz KXDRREFZOWHQNZ-MRXNPFEDSA-N 2 2 347.507 2.463 10 0 EEAELP COC(=O)c1cnc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000599360286 469226500 /nfs/dbraw/zinc/22/65/00/469226500.db2.gz VQDSEPRRDQYAHX-KGLIPLIRSA-N 2 2 332.448 2.006 10 0 EEAELP COC(=O)c1cnc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000599360286 469226507 /nfs/dbraw/zinc/22/65/07/469226507.db2.gz VQDSEPRRDQYAHX-KGLIPLIRSA-N 2 2 332.448 2.006 10 0 EEAELP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000573949024 469235347 /nfs/dbraw/zinc/23/53/47/469235347.db2.gz XFQGSAPQMRARIP-AWEZNQCLSA-N 2 2 335.839 2.223 10 0 EEAELP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000573949024 469235350 /nfs/dbraw/zinc/23/53/50/469235350.db2.gz XFQGSAPQMRARIP-AWEZNQCLSA-N 2 2 335.839 2.223 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000599390076 469239253 /nfs/dbraw/zinc/23/92/53/469239253.db2.gz DIBZSJZJKKJADN-INIZCTEOSA-N 2 2 345.443 2.296 10 0 EEAELP C[C@H]1CC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[NH2+]1 ZINC000625859207 469413342 /nfs/dbraw/zinc/41/33/42/469413342.db2.gz HOMRKAKYCZWHAW-GJZGRUSLSA-N 2 2 343.431 2.224 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000606394725 469600890 /nfs/dbraw/zinc/60/08/90/469600890.db2.gz DIVAPYSCWDGLAY-QGZVFWFLSA-N 2 2 335.517 2.439 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000606394725 469600893 /nfs/dbraw/zinc/60/08/93/469600893.db2.gz DIVAPYSCWDGLAY-QGZVFWFLSA-N 2 2 335.517 2.439 10 0 EEAELP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000607391332 469687998 /nfs/dbraw/zinc/68/79/98/469687998.db2.gz YWDFVWQOCVOGLF-GHTZIAJQSA-N 2 2 342.483 2.362 10 0 EEAELP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000607391332 469687999 /nfs/dbraw/zinc/68/79/99/469687999.db2.gz YWDFVWQOCVOGLF-GHTZIAJQSA-N 2 2 342.483 2.362 10 0 EEAELP C[C@H](O)C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000607391332 469688002 /nfs/dbraw/zinc/68/80/02/469688002.db2.gz YWDFVWQOCVOGLF-GHTZIAJQSA-N 2 2 342.483 2.362 10 0 EEAELP C[C@H](O)C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000607391332 469688005 /nfs/dbraw/zinc/68/80/05/469688005.db2.gz YWDFVWQOCVOGLF-GHTZIAJQSA-N 2 2 342.483 2.362 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613546231 469733802 /nfs/dbraw/zinc/73/38/02/469733802.db2.gz SQMPMSNDOJUUDT-OGWOLHLISA-N 2 2 338.455 2.151 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000613546231 469733803 /nfs/dbraw/zinc/73/38/03/469733803.db2.gz SQMPMSNDOJUUDT-OGWOLHLISA-N 2 2 338.455 2.151 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613546231 469733805 /nfs/dbraw/zinc/73/38/05/469733805.db2.gz SQMPMSNDOJUUDT-OGWOLHLISA-N 2 2 338.455 2.151 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000613546231 469733806 /nfs/dbraw/zinc/73/38/06/469733806.db2.gz SQMPMSNDOJUUDT-OGWOLHLISA-N 2 2 338.455 2.151 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626923064 469755330 /nfs/dbraw/zinc/75/53/30/469755330.db2.gz KNNVAWIKQJRKJZ-UKRRQHHQSA-N 2 2 329.448 2.175 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000626926656 469757327 /nfs/dbraw/zinc/75/73/27/469757327.db2.gz CFZOZCQQGIUFIP-ARFHVFGLSA-N 2 2 345.422 2.088 10 0 EEAELP Cc1c2cc(C)ccc2[nH]c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765701 469795657 /nfs/dbraw/zinc/79/56/57/469795657.db2.gz MQQIVDCUOKCNLQ-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP Cc1c2cc(C)ccc2[nH]c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765701 469795663 /nfs/dbraw/zinc/79/56/63/469795663.db2.gz MQQIVDCUOKCNLQ-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP CSc1c(F)cccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764415 469795870 /nfs/dbraw/zinc/79/58/70/469795870.db2.gz WIVVBUGIYOMCKG-UHFFFAOYSA-N 2 2 327.469 2.161 10 0 EEAELP CSc1c(F)cccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764415 469795874 /nfs/dbraw/zinc/79/58/74/469795874.db2.gz WIVVBUGIYOMCKG-UHFFFAOYSA-N 2 2 327.469 2.161 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccc2[nH]ccc2c1 ZINC000617765080 469796021 /nfs/dbraw/zinc/79/60/21/469796021.db2.gz SRENORMWPAKKCL-UHFFFAOYSA-N 2 2 330.476 2.100 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccc2[nH]ccc2c1 ZINC000617765080 469796026 /nfs/dbraw/zinc/79/60/26/469796026.db2.gz SRENORMWPAKKCL-UHFFFAOYSA-N 2 2 330.476 2.100 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N3CC[NH+](CCCF)CC3)CC2)[nH+]c1 ZINC000627957375 470033010 /nfs/dbraw/zinc/03/30/10/470033010.db2.gz XYYPAYVNYUHUHH-UHFFFAOYSA-N 2 2 348.466 2.110 10 0 EEAELP COc1nccnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631196056 470090743 /nfs/dbraw/zinc/09/07/43/470090743.db2.gz NHBZWIBIGQARLB-WBVHZDCISA-N 2 2 326.444 2.343 10 0 EEAELP COc1nccnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631196056 470090746 /nfs/dbraw/zinc/09/07/46/470090746.db2.gz NHBZWIBIGQARLB-WBVHZDCISA-N 2 2 326.444 2.343 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC12CC3CC(CC(C3)C1)C2 ZINC000631885017 470189251 /nfs/dbraw/zinc/18/92/51/470189251.db2.gz SFZFAJPHSZXUIB-XOUIXPDISA-N 2 2 331.504 2.145 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC12CC3CC(CC(C3)C1)C2 ZINC000631885017 470189252 /nfs/dbraw/zinc/18/92/52/470189252.db2.gz SFZFAJPHSZXUIB-XOUIXPDISA-N 2 2 331.504 2.145 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000635244950 470497757 /nfs/dbraw/zinc/49/77/57/470497757.db2.gz LQJFLALTXDJHTN-IAGOWNOFSA-N 2 2 338.455 2.466 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000635244950 470497760 /nfs/dbraw/zinc/49/77/60/470497760.db2.gz LQJFLALTXDJHTN-IAGOWNOFSA-N 2 2 338.455 2.466 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000635244950 470497766 /nfs/dbraw/zinc/49/77/66/470497766.db2.gz LQJFLALTXDJHTN-IAGOWNOFSA-N 2 2 338.455 2.466 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000635244950 470497770 /nfs/dbraw/zinc/49/77/70/470497770.db2.gz LQJFLALTXDJHTN-IAGOWNOFSA-N 2 2 338.455 2.466 10 0 EEAELP CC(C)C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccncc1 ZINC000647289324 470876982 /nfs/dbraw/zinc/87/69/82/470876982.db2.gz OSNBALFVZJFXSH-VQTJNVASSA-N 2 2 346.519 2.165 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@H]1CCOc2ccccc21 ZINC000647899491 471010873 /nfs/dbraw/zinc/01/08/73/471010873.db2.gz MUTNOVBZOVEZSD-JQHSSLGASA-N 2 2 343.471 2.090 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@H]1CCOc2ccccc21 ZINC000647899491 471010874 /nfs/dbraw/zinc/01/08/74/471010874.db2.gz MUTNOVBZOVEZSD-JQHSSLGASA-N 2 2 343.471 2.090 10 0 EEAELP C[C@@H]1CN(c2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cn2)C[C@@H](C)O1 ZINC000657310748 471095731 /nfs/dbraw/zinc/09/57/31/471095731.db2.gz DISNNZXSQQIDNA-HUUCEWRRSA-N 2 2 341.459 2.128 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cn21 ZINC000648211526 471125387 /nfs/dbraw/zinc/12/53/87/471125387.db2.gz UQAMGVKYKWBSNC-PVAVHDDUSA-N 2 2 326.444 2.222 10 0 EEAELP [NH3+]CC1(CCNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000652239185 471260757 /nfs/dbraw/zinc/26/07/57/471260757.db2.gz CSDUYLCWGPQRGA-QPJJXVBHSA-N 2 2 342.487 2.156 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-n2cc[nH+]c2)ccn1 ZINC000655349839 471306730 /nfs/dbraw/zinc/30/67/30/471306730.db2.gz HGXWMMVJRUNYQC-NVXWUHKLSA-N 2 2 325.416 2.014 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-n2cc[nH+]c2)ccn1 ZINC000655349839 471306732 /nfs/dbraw/zinc/30/67/32/471306732.db2.gz HGXWMMVJRUNYQC-NVXWUHKLSA-N 2 2 325.416 2.014 10 0 EEAELP O=C(Nc1ccccc1)C1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655756012 471472573 /nfs/dbraw/zinc/47/25/73/471472573.db2.gz KJCTTXMRYLJBRQ-GOSISDBHSA-N 2 2 343.471 2.391 10 0 EEAELP Cc1cc(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)cc(N2CCCC2)[nH+]1 ZINC000661203006 471670471 /nfs/dbraw/zinc/67/04/71/471670471.db2.gz LSOCAJPQGHUIEM-AWEZNQCLSA-N 2 2 342.447 2.284 10 0 EEAELP Cc1cccc([C@@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664206875 471677649 /nfs/dbraw/zinc/67/76/49/471677649.db2.gz OEPLYZREZWPLKN-KRWDZBQOSA-N 2 2 334.508 2.281 10 0 EEAELP Cc1cccc([C@@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664206875 471677652 /nfs/dbraw/zinc/67/76/52/471677652.db2.gz OEPLYZREZWPLKN-KRWDZBQOSA-N 2 2 334.508 2.281 10 0 EEAELP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1[nH+]ccn1C ZINC000659581245 471685968 /nfs/dbraw/zinc/68/59/68/471685968.db2.gz JHXBLEYQTFUHFS-DAXOMENPSA-N 2 2 345.422 2.065 10 0 EEAELP C[NH+]1CCC(CNC(=O)N2CC3CC2(C)C3)([NH+]2CCCCC2)CC1 ZINC000664229980 471686180 /nfs/dbraw/zinc/68/61/80/471686180.db2.gz JIPYKSQFPVRLPG-UHFFFAOYSA-N 2 2 334.508 2.131 10 0 EEAELP CC(C)c1csc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664329409 471721388 /nfs/dbraw/zinc/72/13/88/471721388.db2.gz BSEVYZIVZZAEIF-UHFFFAOYSA-N 2 2 327.498 2.272 10 0 EEAELP CC(C)c1csc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664329409 471721393 /nfs/dbraw/zinc/72/13/93/471721393.db2.gz BSEVYZIVZZAEIF-UHFFFAOYSA-N 2 2 327.498 2.272 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000653777590 471737341 /nfs/dbraw/zinc/73/73/41/471737341.db2.gz PZKQMHCXMFRGGD-RBUKOAKNSA-N 2 2 330.472 2.319 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000653777590 471737344 /nfs/dbraw/zinc/73/73/44/471737344.db2.gz PZKQMHCXMFRGGD-RBUKOAKNSA-N 2 2 330.472 2.319 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000653777590 471737347 /nfs/dbraw/zinc/73/73/47/471737347.db2.gz PZKQMHCXMFRGGD-RBUKOAKNSA-N 2 2 330.472 2.319 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000653777590 471737350 /nfs/dbraw/zinc/73/73/50/471737350.db2.gz PZKQMHCXMFRGGD-RBUKOAKNSA-N 2 2 330.472 2.319 10 0 EEAELP C[C@@H]1COC2(CCC2)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661471063 471768776 /nfs/dbraw/zinc/76/87/76/471768776.db2.gz XHASLGXCMBFURW-AEFFLSMTSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@@H]1COC2(CCC2)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661471063 471768779 /nfs/dbraw/zinc/76/87/79/471768779.db2.gz XHASLGXCMBFURW-AEFFLSMTSA-N 2 2 345.487 2.049 10 0 EEAELP CO[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)[C@@H]1CCOC1 ZINC000659990891 471817416 /nfs/dbraw/zinc/81/74/16/471817416.db2.gz ISMCEEMFQDHFEA-XLIONFOSSA-N 2 2 347.503 2.072 10 0 EEAELP CO[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)[C@@H]1CCOC1 ZINC000659990891 471817422 /nfs/dbraw/zinc/81/74/22/471817422.db2.gz ISMCEEMFQDHFEA-XLIONFOSSA-N 2 2 347.503 2.072 10 0 EEAELP Cc1[nH+]cc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)n1C ZINC000667952610 471960339 /nfs/dbraw/zinc/96/03/39/471960339.db2.gz BDGJKHPFSSWZGL-KRWDZBQOSA-N 2 2 330.476 2.343 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320313 472068946 /nfs/dbraw/zinc/06/89/46/472068946.db2.gz STHZGWIVAQDLLF-WMZOPIPTSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320313 472068949 /nfs/dbraw/zinc/06/89/49/472068949.db2.gz STHZGWIVAQDLLF-WMZOPIPTSA-N 2 2 345.487 2.007 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508570 472133701 /nfs/dbraw/zinc/13/37/01/472133701.db2.gz WJIXWCZACSLYOQ-GOEBONIOSA-N 2 2 327.831 2.339 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508570 472133704 /nfs/dbraw/zinc/13/37/04/472133704.db2.gz WJIXWCZACSLYOQ-GOEBONIOSA-N 2 2 327.831 2.339 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[N@H+](C)Cc1ccccc1 ZINC000668568681 472178234 /nfs/dbraw/zinc/17/82/34/472178234.db2.gz JMVNLYNDXKYDDK-HOCLYGCPSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000668568681 472178239 /nfs/dbraw/zinc/17/82/39/472178239.db2.gz JMVNLYNDXKYDDK-HOCLYGCPSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000668568681 472178245 /nfs/dbraw/zinc/17/82/45/472178245.db2.gz JMVNLYNDXKYDDK-HOCLYGCPSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000668568681 472178255 /nfs/dbraw/zinc/17/82/55/472178255.db2.gz JMVNLYNDXKYDDK-HOCLYGCPSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)c1[nH+]ccn1C ZINC000662935761 472302633 /nfs/dbraw/zinc/30/26/33/472302633.db2.gz ZDILJWUXUVMWNN-AWEZNQCLSA-N 2 2 326.444 2.453 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC000673769823 485524279 /nfs/dbraw/zinc/52/42/79/485524279.db2.gz VZSWCSUHSXMXCP-OAHLLOKOSA-N 2 2 331.464 2.215 10 0 EEAELP CCc1ccc([C@H](C[NH+]2CCOCC2)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629543264 485730595 /nfs/dbraw/zinc/73/05/95/485730595.db2.gz XIXIXYSGWUDJLS-VDGAXYAQSA-N 2 2 331.504 2.352 10 0 EEAELP C[NH+]1CCN(C(=O)CC[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631065396 485764649 /nfs/dbraw/zinc/76/46/49/485764649.db2.gz YFWQPKIUIWXPFQ-UHFFFAOYSA-N 2 2 335.835 2.340 10 0 EEAELP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679830667 485820028 /nfs/dbraw/zinc/82/00/28/485820028.db2.gz SJHZEESVHQYXJN-QGZVFWFLSA-N 2 2 348.472 2.098 10 0 EEAELP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000679830667 485820037 /nfs/dbraw/zinc/82/00/37/485820037.db2.gz SJHZEESVHQYXJN-QGZVFWFLSA-N 2 2 348.472 2.098 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000675767978 486064541 /nfs/dbraw/zinc/06/45/41/486064541.db2.gz VEJRPNBMZDMLHL-CZUORRHYSA-N 2 2 325.478 2.193 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000675767978 486064547 /nfs/dbraw/zinc/06/45/47/486064547.db2.gz VEJRPNBMZDMLHL-CZUORRHYSA-N 2 2 325.478 2.193 10 0 EEAELP Cc1cc(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)c(C)c[nH+]1 ZINC000685010229 486065078 /nfs/dbraw/zinc/06/50/78/486065078.db2.gz YOCWJDVIDGQMNP-UHFFFAOYSA-N 2 2 325.416 2.178 10 0 EEAELP CCC(C)(C)NC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471023268 535356356 /nfs/dbraw/zinc/35/63/56/535356356.db2.gz RQKBXXIYYTXTJD-HDICACEKSA-N 2 2 329.488 2.355 10 0 EEAELP CCC(C)(C)NC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471023268 535356361 /nfs/dbraw/zinc/35/63/61/535356361.db2.gz RQKBXXIYYTXTJD-HDICACEKSA-N 2 2 329.488 2.355 10 0 EEAELP CCC(C)(C)NC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471023268 535356366 /nfs/dbraw/zinc/35/63/66/535356366.db2.gz RQKBXXIYYTXTJD-HDICACEKSA-N 2 2 329.488 2.355 10 0 EEAELP CCC(C)(C)NC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471023268 535356368 /nfs/dbraw/zinc/35/63/68/535356368.db2.gz RQKBXXIYYTXTJD-HDICACEKSA-N 2 2 329.488 2.355 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000732457936 577181077 /nfs/dbraw/zinc/18/10/77/577181077.db2.gz CNKDDZWBKMMTLU-HNNXBMFYSA-N 2 2 332.448 2.085 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000759891393 577653088 /nfs/dbraw/zinc/65/30/88/577653088.db2.gz GBXQAWBUVCPBEF-KRWDZBQOSA-N 2 2 330.407 2.088 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C(=O)c2ccc(F)cc2C1=O ZINC000176079442 676850181 /nfs/dbraw/zinc/85/01/81/676850181.db2.gz RJLPFRJRXKRUHJ-CQSZACIVSA-N 2 2 342.374 2.049 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CN1C(=O)c2ccc(F)cc2C1=O ZINC000176079442 676850182 /nfs/dbraw/zinc/85/01/82/676850182.db2.gz RJLPFRJRXKRUHJ-CQSZACIVSA-N 2 2 342.374 2.049 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000152794666 683531949 /nfs/dbraw/zinc/53/19/49/683531949.db2.gz DRZJDUNOCDDFFA-DOTOQJQBSA-N 2 2 344.503 2.355 10 0 EEAELP CN(C(=O)/C=C\C=C(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896987630 686036922 /nfs/dbraw/zinc/03/69/22/686036922.db2.gz GAZNLPTUUWEOSR-PKXJPQMGSA-N 2 2 346.302 2.489 10 0 EEAELP CN(C(=O)/C=C\C=C(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896987630 686036925 /nfs/dbraw/zinc/03/69/25/686036925.db2.gz GAZNLPTUUWEOSR-PKXJPQMGSA-N 2 2 346.302 2.489 10 0 EEAELP CCC[NH+]1CCN(c2nc(C)[nH+]c3c2NC(=O)[C@@H]([C@@H](C)CC)N3)CC1 ZINC000224047227 689359587 /nfs/dbraw/zinc/35/95/87/689359587.db2.gz WQITZNRBQSACKG-GXTWGEPZSA-N 2 2 346.479 2.096 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000898490409 693335799 /nfs/dbraw/zinc/33/57/99/693335799.db2.gz HXIPKCFBHDDVLZ-MOPGFXCFSA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000898490409 693335805 /nfs/dbraw/zinc/33/58/05/693335805.db2.gz HXIPKCFBHDDVLZ-MOPGFXCFSA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000898490409 693335810 /nfs/dbraw/zinc/33/58/10/693335810.db2.gz HXIPKCFBHDDVLZ-MOPGFXCFSA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000898490409 693335815 /nfs/dbraw/zinc/33/58/15/693335815.db2.gz HXIPKCFBHDDVLZ-MOPGFXCFSA-N 2 2 347.478 2.449 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001485687564 1191897513 /nfs/dbraw/zinc/89/75/13/1191897513.db2.gz ICWARKMVZTUUGH-ULQDDVLXSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001266353661 1176381089 /nfs/dbraw/zinc/38/10/89/1176381089.db2.gz ZKJGOMOPDQXRRE-GOEBONIOSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001266353661 1176381101 /nfs/dbraw/zinc/38/11/01/1176381101.db2.gz ZKJGOMOPDQXRRE-GOEBONIOSA-N 2 2 338.883 2.012 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CCc1cccs1)C1CC1 ZINC001670543971 1176875828 /nfs/dbraw/zinc/87/58/28/1176875828.db2.gz ICEYRADNYFPIRC-MRXNPFEDSA-N 2 2 332.473 2.049 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CCCCC(F)(F)F ZINC001670672942 1176987795 /nfs/dbraw/zinc/98/77/95/1176987795.db2.gz SJNHUOWBNJZKBC-CYBMUJFWSA-N 2 2 332.370 2.196 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CCCCC(F)(F)F ZINC001670672942 1176987800 /nfs/dbraw/zinc/98/78/00/1176987800.db2.gz SJNHUOWBNJZKBC-CYBMUJFWSA-N 2 2 332.370 2.196 10 0 EEAELP CC(C)C[C@@H](C(=O)N(C)CC[NH2+]Cc1ccccn1)n1cc[nH+]c1 ZINC001266733977 1177322038 /nfs/dbraw/zinc/32/20/38/1177322038.db2.gz JMMQIAQBDRYFHZ-KRWDZBQOSA-N 2 2 329.448 2.114 10 0 EEAELP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001266733840 1177322097 /nfs/dbraw/zinc/32/20/97/1177322097.db2.gz DNYLXYQHAPJFNH-HNNXBMFYSA-N 2 2 349.504 2.483 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266740981 1177333411 /nfs/dbraw/zinc/33/34/11/1177333411.db2.gz GMHHMUFBMNTFRR-JKSUJKDBSA-N 2 2 346.475 2.117 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266740981 1177333416 /nfs/dbraw/zinc/33/34/16/1177333416.db2.gz GMHHMUFBMNTFRR-JKSUJKDBSA-N 2 2 346.475 2.117 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001266749784 1177347320 /nfs/dbraw/zinc/34/73/20/1177347320.db2.gz XJFLZJYXFPJLIW-QGZVFWFLSA-N 2 2 340.471 2.311 10 0 EEAELP COc1ccc(C)cc1C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001266848161 1177542988 /nfs/dbraw/zinc/54/29/88/1177542988.db2.gz MJDHTVVIFPJOTB-MRXNPFEDSA-N 2 2 344.459 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1ccc2ncccc2c1 ZINC001691113763 1177604197 /nfs/dbraw/zinc/60/41/97/1177604197.db2.gz WYXUXKMCOZBPLL-SFHVURJKSA-N 2 2 349.438 2.212 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1ccc2ncccc2c1 ZINC001691113763 1177604204 /nfs/dbraw/zinc/60/42/04/1177604204.db2.gz WYXUXKMCOZBPLL-SFHVURJKSA-N 2 2 349.438 2.212 10 0 EEAELP Cc1ccncc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267177149 1178424845 /nfs/dbraw/zinc/42/48/45/1178424845.db2.gz PRVYCHSNPVIMIR-QGZVFWFLSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1ccncc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267177149 1178424848 /nfs/dbraw/zinc/42/48/48/1178424848.db2.gz PRVYCHSNPVIMIR-QGZVFWFLSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267177925 1178428394 /nfs/dbraw/zinc/42/83/94/1178428394.db2.gz ZOQYZXQIOZLNEQ-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267177925 1178428399 /nfs/dbraw/zinc/42/83/99/1178428399.db2.gz ZOQYZXQIOZLNEQ-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCCCCF ZINC001267276316 1178659844 /nfs/dbraw/zinc/65/98/44/1178659844.db2.gz PJSGILPJSOQRMX-BZUAXINKSA-N 2 2 336.455 2.244 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCCCCF ZINC001267276316 1178659849 /nfs/dbraw/zinc/65/98/49/1178659849.db2.gz PJSGILPJSOQRMX-BZUAXINKSA-N 2 2 336.455 2.244 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]Cc2ccc(C)cc2)c[nH+]1 ZINC001267390087 1178955508 /nfs/dbraw/zinc/95/55/08/1178955508.db2.gz JRZOSTHHGVRJNN-UHFFFAOYSA-N 2 2 328.460 2.483 10 0 EEAELP COCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001267486697 1179152195 /nfs/dbraw/zinc/15/21/95/1179152195.db2.gz JGQHPHXCIFKFAG-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001267486697 1179152202 /nfs/dbraw/zinc/15/22/02/1179152202.db2.gz JGQHPHXCIFKFAG-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001481249887 1180465319 /nfs/dbraw/zinc/46/53/19/1180465319.db2.gz KMGVGJLENCBUKF-MRXNPFEDSA-N 2 2 330.476 2.074 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]CCc1ccccc1Cl ZINC001268012656 1180974741 /nfs/dbraw/zinc/97/47/41/1180974741.db2.gz QQJCHANDSINGMK-CYBMUJFWSA-N 2 2 348.878 2.499 10 0 EEAELP CN(CC[NH2+]Cc1ccccc1C(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC001481322543 1181034581 /nfs/dbraw/zinc/03/45/81/1181034581.db2.gz FEPDXIMKRFMROO-UHFFFAOYSA-N 2 2 340.349 2.150 10 0 EEAELP Cc1nocc1C[N@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481452347 1181389829 /nfs/dbraw/zinc/38/98/29/1181389829.db2.gz VDPFFGSDUIPTKS-ZBFHGGJFSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1nocc1C[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481452347 1181389837 /nfs/dbraw/zinc/38/98/37/1181389837.db2.gz VDPFFGSDUIPTKS-ZBFHGGJFSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001268376842 1182391543 /nfs/dbraw/zinc/39/15/43/1182391543.db2.gz DOJSVQFDCJPNDF-WMZOPIPTSA-N 2 2 340.471 2.439 10 0 EEAELP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)CCc1c[nH]c[nH+]1 ZINC001268453318 1182667263 /nfs/dbraw/zinc/66/72/63/1182667263.db2.gz JBSYZNZDNMTZBH-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)CCc1c[nH+]c[nH]1 ZINC001268453318 1182667270 /nfs/dbraw/zinc/66/72/70/1182667270.db2.gz JBSYZNZDNMTZBH-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]CC2(NC(=O)CCn3cc[nH+]c3)CCCC2)C1 ZINC001481901274 1182904165 /nfs/dbraw/zinc/90/41/65/1182904165.db2.gz CTXPASAPTKYMFZ-INIZCTEOSA-N 2 2 348.491 2.107 10 0 EEAELP CCN(CC[NH2+]Cc1ocnc1C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001268499698 1183038349 /nfs/dbraw/zinc/03/83/49/1183038349.db2.gz PLRZYUJUIIXJIU-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)F)CC1)[NH+](C)C ZINC001482026577 1183155022 /nfs/dbraw/zinc/15/50/22/1183155022.db2.gz MUJDEIQPQJEAEE-IJLUTSLNSA-N 2 2 341.393 2.244 10 0 EEAELP COCCC[NH+]1CCC(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001482043028 1183217079 /nfs/dbraw/zinc/21/70/79/1183217079.db2.gz FSMJZGUSEUFZQU-UHFFFAOYSA-N 2 2 344.459 2.431 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH2+]CCc1cccs1 ZINC001482117629 1183350788 /nfs/dbraw/zinc/35/07/88/1183350788.db2.gz XCEXRCYLIDKJNO-LSDHHAIUSA-N 2 2 346.500 2.092 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]cn2C)c(C)c1 ZINC001268623672 1183545369 /nfs/dbraw/zinc/54/53/69/1183545369.db2.gz VNXQZERQXZBGNO-PLNGDYQASA-N 2 2 340.471 2.432 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001268693795 1183619920 /nfs/dbraw/zinc/61/99/20/1183619920.db2.gz MJZWAHKUBLUIRO-FUHWJXTLSA-N 2 2 340.471 2.091 10 0 EEAELP CCCCC[N@@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001482199478 1183874187 /nfs/dbraw/zinc/87/41/87/1183874187.db2.gz FZOADTAKVORIAA-INIZCTEOSA-N 2 2 336.480 2.014 10 0 EEAELP CCCCC[N@H+]1CCO[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001482199478 1183874189 /nfs/dbraw/zinc/87/41/89/1183874189.db2.gz FZOADTAKVORIAA-INIZCTEOSA-N 2 2 336.480 2.014 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001482336306 1185430056 /nfs/dbraw/zinc/43/00/56/1185430056.db2.gz BRIZRRLEARHINL-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482340503 1185440025 /nfs/dbraw/zinc/44/00/25/1185440025.db2.gz HUYRNKASFPEBDH-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482340503 1185440026 /nfs/dbraw/zinc/44/00/26/1185440026.db2.gz HUYRNKASFPEBDH-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001482463201 1185934668 /nfs/dbraw/zinc/93/46/68/1185934668.db2.gz RONDHJSMSRQHNF-IRXDYDNUSA-N 2 2 348.491 2.191 10 0 EEAELP CC/C(C)=C/C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001271911266 1186613325 /nfs/dbraw/zinc/61/33/25/1186613325.db2.gz CNIXGGRMSJIQKU-ZWFBASDOSA-N 2 2 337.508 2.082 10 0 EEAELP CN(CC[N@H+](C)Cc1ccns1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606451 1187360569 /nfs/dbraw/zinc/36/05/69/1187360569.db2.gz PTYWCXUKKAYSFM-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccns1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606451 1187360572 /nfs/dbraw/zinc/36/05/72/1187360572.db2.gz PTYWCXUKKAYSFM-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1ccns1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482606451 1187360575 /nfs/dbraw/zinc/36/05/75/1187360575.db2.gz PTYWCXUKKAYSFM-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1ccns1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001482606451 1187360578 /nfs/dbraw/zinc/36/05/78/1187360578.db2.gz PTYWCXUKKAYSFM-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001482657597 1187494762 /nfs/dbraw/zinc/49/47/62/1187494762.db2.gz AHXAIPPDXUWHFW-SJORKVTESA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@@H]21 ZINC001482657597 1187494763 /nfs/dbraw/zinc/49/47/63/1187494763.db2.gz AHXAIPPDXUWHFW-SJORKVTESA-N 2 2 332.492 2.466 10 0 EEAELP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482846149 1187765335 /nfs/dbraw/zinc/76/53/35/1187765335.db2.gz ROLZQBJVBAYTMJ-GDBMZVCRSA-N 2 2 332.492 2.366 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482933995 1187854048 /nfs/dbraw/zinc/85/40/48/1187854048.db2.gz ORHMGWNNPJQYAW-HNNXBMFYSA-N 2 2 344.434 2.223 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)CCc1[nH+]ccn1C ZINC001483037366 1188070025 /nfs/dbraw/zinc/07/00/25/1188070025.db2.gz NYWKJNNBAUSGOI-ONEGZZNKSA-N 2 2 344.434 2.262 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)CCn1cc[nH+]c1)c1cccc(F)c1 ZINC001483047807 1188262810 /nfs/dbraw/zinc/26/28/10/1188262810.db2.gz XIZAYZMKLYELKN-FAAWYNLUSA-N 2 2 330.407 2.436 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]2CCCCCC2)co1 ZINC001483069610 1188417139 /nfs/dbraw/zinc/41/71/39/1188417139.db2.gz OBNSICGOZGITLW-YVACAVLKSA-N 2 2 334.464 2.010 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c1 ZINC001272824244 1193563199 /nfs/dbraw/zinc/56/31/99/1193563199.db2.gz VWHJCJNKLOVJJX-AWEZNQCLSA-N 2 2 332.423 2.474 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c1 ZINC001272824244 1193563203 /nfs/dbraw/zinc/56/32/03/1193563203.db2.gz VWHJCJNKLOVJJX-AWEZNQCLSA-N 2 2 332.423 2.474 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001483199298 1189096162 /nfs/dbraw/zinc/09/61/62/1189096162.db2.gz BMXRPQARMXGKBR-NVXWUHKLSA-N 2 2 326.444 2.098 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001485885776 1193629541 /nfs/dbraw/zinc/62/95/41/1193629541.db2.gz QMUXOJFCTVAQRB-LBPRGKRZSA-N 2 2 335.839 2.027 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409468986 1189754700 /nfs/dbraw/zinc/75/47/00/1189754700.db2.gz MVKMUMZYEXSYKT-GJZGRUSLSA-N 2 2 343.475 2.393 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001485932467 1193650213 /nfs/dbraw/zinc/65/02/13/1193650213.db2.gz PRUJCJMLKQMDRQ-DZGCQCFKSA-N 2 2 343.475 2.237 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001485932467 1193650215 /nfs/dbraw/zinc/65/02/15/1193650215.db2.gz PRUJCJMLKQMDRQ-DZGCQCFKSA-N 2 2 343.475 2.237 10 0 EEAELP CC(C)c1cccc(C[NH2+]C[C@H](C)NC(=O)CCc2c[nH+]cn2C)n1 ZINC001483288775 1190311911 /nfs/dbraw/zinc/31/19/11/1190311911.db2.gz IAXTZPKWTTZMSZ-HNNXBMFYSA-N 2 2 343.475 2.166 10 0 EEAELP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001483349129 1190384458 /nfs/dbraw/zinc/38/44/58/1190384458.db2.gz JRPAUVGKGKXVGH-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001483349129 1190384462 /nfs/dbraw/zinc/38/44/62/1190384462.db2.gz JRPAUVGKGKXVGH-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001483349129 1190384468 /nfs/dbraw/zinc/38/44/68/1190384468.db2.gz JRPAUVGKGKXVGH-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001483349129 1190384470 /nfs/dbraw/zinc/38/44/70/1190384470.db2.gz JRPAUVGKGKXVGH-USXIJHARSA-N 2 2 326.444 2.458 10 0 EEAELP C[C@H](F)CC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001486148560 1193699125 /nfs/dbraw/zinc/69/91/25/1193699125.db2.gz QEPVZWRVBRHRQX-RLFYNMQTSA-N 2 2 336.455 2.214 10 0 EEAELP C[C@H](F)CC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001486148560 1193699126 /nfs/dbraw/zinc/69/91/26/1193699126.db2.gz QEPVZWRVBRHRQX-RLFYNMQTSA-N 2 2 336.455 2.214 10 0 EEAELP CC[N@@H+]1CCN(c2nnc(C)n2CCCNc2cccc[nH+]2)C[C@H]1C ZINC001746439273 1190902502 /nfs/dbraw/zinc/90/25/02/1190902502.db2.gz BGQNWFXAGAXKFC-OAHLLOKOSA-N 2 2 343.479 2.014 10 0 EEAELP CC[N@H+]1CCN(c2nnc(C)n2CCCNc2cccc[nH+]2)C[C@H]1C ZINC001746439273 1190902504 /nfs/dbraw/zinc/90/25/04/1190902504.db2.gz BGQNWFXAGAXKFC-OAHLLOKOSA-N 2 2 343.479 2.014 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001483930054 1191122126 /nfs/dbraw/zinc/12/21/26/1191122126.db2.gz WOUDAEHEUXGGJI-QZDDGCDVSA-N 2 2 336.867 2.095 10 0 EEAELP Cc1cc(C[NH+]2CCC(C)(NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC001483968361 1191135976 /nfs/dbraw/zinc/13/59/76/1191135976.db2.gz VKRMBUCJQGJUFV-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cc(C[NH+]2CCC(C)(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC001483968361 1191135979 /nfs/dbraw/zinc/13/59/79/1191135979.db2.gz VKRMBUCJQGJUFV-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484049674 1191175184 /nfs/dbraw/zinc/17/51/84/1191175184.db2.gz PCUKXQQKWCEDKO-LIHUFFQZSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484049674 1191175185 /nfs/dbraw/zinc/17/51/85/1191175185.db2.gz PCUKXQQKWCEDKO-LIHUFFQZSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@]1(C[NH2+]CC2CC3(CCC3)C2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484113780 1191213967 /nfs/dbraw/zinc/21/39/67/1191213967.db2.gz IUBKWMOVKPDOKK-GOSISDBHSA-N 2 2 330.476 2.361 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@](C)(C[NH2+]CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001484113477 1191214017 /nfs/dbraw/zinc/21/40/17/1191214017.db2.gz GNRGHVRKJQOHPH-QFBILLFUSA-N 2 2 348.491 2.089 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)c(C)o1 ZINC001484717587 1191481745 /nfs/dbraw/zinc/48/17/45/1191481745.db2.gz CGUJBNYVLNHEKN-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)c(C)o1 ZINC001484717587 1191481746 /nfs/dbraw/zinc/48/17/46/1191481746.db2.gz CGUJBNYVLNHEKN-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC(F)(F)C(F)F ZINC001484997682 1191607458 /nfs/dbraw/zinc/60/74/58/1191607458.db2.gz YWQAZPJBRNMIFI-SRVKXCTJSA-N 2 2 341.393 2.102 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(F)(F)C(F)F ZINC001484997682 1191607459 /nfs/dbraw/zinc/60/74/59/1191607459.db2.gz YWQAZPJBRNMIFI-SRVKXCTJSA-N 2 2 341.393 2.102 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC1CC(C[NH2+]CC2CC(F)(F)C2)C1 ZINC001485111426 1191654523 /nfs/dbraw/zinc/65/45/23/1191654523.db2.gz AOHYDUMEVOOVLY-UHFFFAOYSA-N 2 2 340.418 2.193 10 0 EEAELP CCc1ccc(CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001485202389 1191684149 /nfs/dbraw/zinc/68/41/49/1191684149.db2.gz RXJURPFDAWGCHW-LSDHHAIUSA-N 2 2 328.460 2.240 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001485214964 1191696645 /nfs/dbraw/zinc/69/66/45/1191696645.db2.gz GPUVDIWMBXYBJD-RYUDHWBXSA-N 2 2 348.422 2.091 10 0 EEAELP COc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001485355995 1191761039 /nfs/dbraw/zinc/76/10/39/1191761039.db2.gz KOGACHGJBRZVAE-CVEARBPZSA-N 2 2 344.459 2.480 10 0 EEAELP COc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001485355995 1191761041 /nfs/dbraw/zinc/76/10/41/1191761041.db2.gz KOGACHGJBRZVAE-CVEARBPZSA-N 2 2 344.459 2.480 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001410230578 1197620517 /nfs/dbraw/zinc/62/05/17/1197620517.db2.gz VVMBVSUHJARSLQ-YIFSMROKSA-N 2 2 331.247 2.064 10 0 EEAELP CC(C)[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]C/C=C\Cl ZINC001410252146 1197635214 /nfs/dbraw/zinc/63/52/14/1197635214.db2.gz XIFNECBKGKNHOY-LLMLYATDSA-N 2 2 338.883 2.319 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCc1cccs1 ZINC001410451959 1197924647 /nfs/dbraw/zinc/92/46/47/1197924647.db2.gz WUJPJVFVTZMQPN-ZIAGYGMSSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCc1cccs1 ZINC001410451959 1197924654 /nfs/dbraw/zinc/92/46/54/1197924654.db2.gz WUJPJVFVTZMQPN-ZIAGYGMSSA-N 2 2 334.489 2.329 10 0 EEAELP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865483592 1198241448 /nfs/dbraw/zinc/24/14/48/1198241448.db2.gz MTRUITHDRJFNGP-UHFFFAOYSA-N 2 2 340.471 2.465 10 0 EEAELP CCCNc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc[nH+]1 ZINC000865936070 1198429791 /nfs/dbraw/zinc/42/97/91/1198429791.db2.gz DMVCURSZUUYEBA-QGZVFWFLSA-N 2 2 341.459 2.477 10 0 EEAELP CCCNc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nc[nH+]1 ZINC000865936070 1198429793 /nfs/dbraw/zinc/42/97/93/1198429793.db2.gz DMVCURSZUUYEBA-QGZVFWFLSA-N 2 2 341.459 2.477 10 0 EEAELP CCCNc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH+]cn1 ZINC000865936070 1198429799 /nfs/dbraw/zinc/42/97/99/1198429799.db2.gz DMVCURSZUUYEBA-QGZVFWFLSA-N 2 2 341.459 2.477 10 0 EEAELP CCCNc1cc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH+]cn1 ZINC000865936070 1198429802 /nfs/dbraw/zinc/42/98/02/1198429802.db2.gz DMVCURSZUUYEBA-QGZVFWFLSA-N 2 2 341.459 2.477 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]C/C(Cl)=C\Cl)C[C@@H]1C ZINC001410857482 1198508457 /nfs/dbraw/zinc/50/84/57/1198508457.db2.gz KKLPYWWBEPKEBR-CHCNBIGESA-N 2 2 331.247 2.090 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C)s1 ZINC001411212278 1198921372 /nfs/dbraw/zinc/92/13/72/1198921372.db2.gz APJHKKMVKMVGOA-OAHLLOKOSA-N 2 2 349.504 2.048 10 0 EEAELP CCC(CC)[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+]1CCOCC1 ZINC000871154503 1201075033 /nfs/dbraw/zinc/07/50/33/1201075033.db2.gz FSIVFIWVZFDSRP-QGZVFWFLSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)[C@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1CCOCC1 ZINC000871154503 1201075035 /nfs/dbraw/zinc/07/50/35/1201075035.db2.gz FSIVFIWVZFDSRP-QGZVFWFLSA-N 2 2 339.524 2.066 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000866518122 1201538484 /nfs/dbraw/zinc/53/84/84/1201538484.db2.gz VCPKZRSTTYXGHJ-GBBGEASQSA-N 2 2 348.512 2.454 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000866518122 1201538486 /nfs/dbraw/zinc/53/84/86/1201538486.db2.gz VCPKZRSTTYXGHJ-GBBGEASQSA-N 2 2 348.512 2.454 10 0 EEAELP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869104761 1201939662 /nfs/dbraw/zinc/93/96/62/1201939662.db2.gz AQJMSAILAVZPQN-QGZVFWFLSA-N 2 2 330.476 2.299 10 0 EEAELP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869104761 1201939665 /nfs/dbraw/zinc/93/96/65/1201939665.db2.gz AQJMSAILAVZPQN-QGZVFWFLSA-N 2 2 330.476 2.299 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC001275036067 1205240756 /nfs/dbraw/zinc/24/07/56/1205240756.db2.gz LTHXEJZCAQUNTN-INIZCTEOSA-N 2 2 342.443 2.002 10 0 EEAELP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001275251105 1205290965 /nfs/dbraw/zinc/29/09/65/1205290965.db2.gz OXPVGHGRLVBPJF-PXIZFIGSSA-N 2 2 330.476 2.286 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]CCc2ccccc2Cl)C1 ZINC001275331090 1205311324 /nfs/dbraw/zinc/31/13/24/1205311324.db2.gz KDUBBRFFVMFWLH-UHFFFAOYSA-N 2 2 346.862 2.264 10 0 EEAELP CSC1CCC(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000924297875 1205957760 /nfs/dbraw/zinc/95/77/60/1205957760.db2.gz BMSBEGRVAFZQOP-UHFFFAOYSA-N 2 2 344.569 2.091 10 0 EEAELP CSC1CCC(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000924297875 1205957761 /nfs/dbraw/zinc/95/77/61/1205957761.db2.gz BMSBEGRVAFZQOP-UHFFFAOYSA-N 2 2 344.569 2.091 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000924387170 1205967661 /nfs/dbraw/zinc/96/76/61/1205967661.db2.gz LGKGDTHJMDCRSN-BQFCYCMXSA-N 2 2 336.524 2.090 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CC[C@H]2C[C@H]21 ZINC000924387170 1205967664 /nfs/dbraw/zinc/96/76/64/1205967664.db2.gz LGKGDTHJMDCRSN-BQFCYCMXSA-N 2 2 336.524 2.090 10 0 EEAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cnn(C2CCC2)c1 ZINC000924901887 1206048719 /nfs/dbraw/zinc/04/87/19/1206048719.db2.gz LPJGSIXYHYHPMA-QAPCUYQASA-N 2 2 347.507 2.201 10 0 EEAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cnn(C2CCC2)c1 ZINC000924901887 1206048720 /nfs/dbraw/zinc/04/87/20/1206048720.db2.gz LPJGSIXYHYHPMA-QAPCUYQASA-N 2 2 347.507 2.201 10 0 EEAELP CC1(C)[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925474729 1206116685 /nfs/dbraw/zinc/11/66/85/1206116685.db2.gz JWYMFVFHBBMXMU-AABGKKOBSA-N 3 2 343.515 2.385 10 0 EEAELP Fc1cccc([C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)N2CCOCC2)c1 ZINC000925486077 1206118771 /nfs/dbraw/zinc/11/87/71/1206118771.db2.gz DWDLJOYIOUOODE-RTBURBONSA-N 2 2 347.478 2.463 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000925784735 1206153810 /nfs/dbraw/zinc/15/38/10/1206153810.db2.gz KJRREQCJEPCWFC-AETAKHFUSA-N 2 2 337.895 2.157 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000925784735 1206153813 /nfs/dbraw/zinc/15/38/13/1206153813.db2.gz KJRREQCJEPCWFC-AETAKHFUSA-N 2 2 337.895 2.157 10 0 EEAELP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450578 1206221524 /nfs/dbraw/zinc/22/15/24/1206221524.db2.gz OZMKDQXANNPNMA-FNFWKMNBSA-N 2 2 330.407 2.262 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1COCC12OCCO2 ZINC000926569115 1206228056 /nfs/dbraw/zinc/22/80/56/1206228056.db2.gz GBIBTEYDWOUSOI-BRWVUGGUSA-N 2 2 338.492 2.009 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1COCC12OCCO2 ZINC000926569115 1206228057 /nfs/dbraw/zinc/22/80/57/1206228057.db2.gz GBIBTEYDWOUSOI-BRWVUGGUSA-N 2 2 338.492 2.009 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000927295001 1206251187 /nfs/dbraw/zinc/25/11/87/1206251187.db2.gz QJBGVAYKJULXGU-UHFFFAOYSA-N 2 2 333.480 2.322 10 0 EEAELP O[C@@H](COc1ccc2cc[nH]c2c1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804948 1206504099 /nfs/dbraw/zinc/50/40/99/1206504099.db2.gz ZZHPYEUGWDAZNM-QGZVFWFLSA-N 2 2 340.427 2.441 10 0 EEAELP COCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000930684203 1206575651 /nfs/dbraw/zinc/57/56/51/1206575651.db2.gz NJFKNVLQVIZFOI-UHFFFAOYSA-N 2 2 349.475 2.060 10 0 EEAELP COCC[N@H+]1CCCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000930684203 1206575652 /nfs/dbraw/zinc/57/56/52/1206575652.db2.gz NJFKNVLQVIZFOI-UHFFFAOYSA-N 2 2 349.475 2.060 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931304011 1206623279 /nfs/dbraw/zinc/62/32/79/1206623279.db2.gz JXNZOWNCRUVDNW-AHRSYUTCSA-N 2 2 348.487 2.099 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931304011 1206623280 /nfs/dbraw/zinc/62/32/80/1206623280.db2.gz JXNZOWNCRUVDNW-AHRSYUTCSA-N 2 2 348.487 2.099 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000931304011 1206623282 /nfs/dbraw/zinc/62/32/82/1206623282.db2.gz JXNZOWNCRUVDNW-AHRSYUTCSA-N 2 2 348.487 2.099 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000931304011 1206623283 /nfs/dbraw/zinc/62/32/83/1206623283.db2.gz JXNZOWNCRUVDNW-AHRSYUTCSA-N 2 2 348.487 2.099 10 0 EEAELP CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931516111 1207403011 /nfs/dbraw/zinc/40/30/11/1207403011.db2.gz HQBWUMXYZGJDJD-UHFFFAOYSA-N 2 2 332.448 2.279 10 0 EEAELP CC(C)(C)OC(=O)N1CC(CC[N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931516111 1207403013 /nfs/dbraw/zinc/40/30/13/1207403013.db2.gz HQBWUMXYZGJDJD-UHFFFAOYSA-N 2 2 332.448 2.279 10 0 EEAELP CCOCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276313084 1215691616 /nfs/dbraw/zinc/69/16/16/1215691616.db2.gz XWXIKSKEKVPXOD-BRWVUGGUSA-N 2 2 348.491 2.301 10 0 EEAELP CCOCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276313084 1215691618 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336.432 2.008 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903908786 1242432455 /nfs/dbraw/zinc/43/24/55/1242432455.db2.gz PQGRQYOPPSLDQH-QWRGUYRKSA-N 2 2 345.356 2.092 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903908786 1242432462 /nfs/dbraw/zinc/43/24/62/1242432462.db2.gz PQGRQYOPPSLDQH-QWRGUYRKSA-N 2 2 345.356 2.092 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001491060489 1258620870 /nfs/dbraw/zinc/62/08/70/1258620870.db2.gz TXJACTXZOVKETM-FPMFFAJLSA-N 2 2 326.391 2.116 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCC[C@H]1CCOC1 ZINC001491258765 1258857359 /nfs/dbraw/zinc/85/73/59/1258857359.db2.gz JMQVGDZJBVTLSP-ROUUACIJSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CCC([NH2+]CCc2ccns2)CC1 ZINC001491351488 1258992835 /nfs/dbraw/zinc/99/28/35/1258992835.db2.gz GZSHTVVOLPGBFN-UHFFFAOYSA-N 2 2 347.488 2.059 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CCC([NH2+]CCc2ccns2)CC1 ZINC001491351488 1258992842 /nfs/dbraw/zinc/99/28/42/1258992842.db2.gz GZSHTVVOLPGBFN-UHFFFAOYSA-N 2 2 347.488 2.059 10 0 EEAELP O=[S@](CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000850350444 1277194282 /nfs/dbraw/zinc/19/42/82/1277194282.db2.gz RMZFOILYXMIQHJ-JOCHJYFZSA-N 2 2 331.363 2.273 10 0 EEAELP CCOCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001490309708 1291181860 /nfs/dbraw/zinc/18/18/60/1291181860.db2.gz MQCDLOYGHBZPPM-RDJZCZTQSA-N 2 2 336.480 2.046 10 0 EEAELP CCC[N@H+](Cc1cnon1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000851842108 1291878892 /nfs/dbraw/zinc/87/88/92/1291878892.db2.gz GFNLIYOBIJBRGO-UHFFFAOYSA-N 2 2 330.436 2.357 10 0 EEAELP CCC[N@@H+](Cc1cnon1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000851842108 1291878905 /nfs/dbraw/zinc/87/89/05/1291878905.db2.gz GFNLIYOBIJBRGO-UHFFFAOYSA-N 2 2 330.436 2.357 10 0 EEAELP Cc1cc2nc(Cl)cc(NCC[NH+]3CCC([NH+](C)C)CC3)n2n1 ZINC000853407892 1292373439 /nfs/dbraw/zinc/37/34/39/1292373439.db2.gz YXUMAMKJTVAPNX-UHFFFAOYSA-N 2 2 336.871 2.129 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591055 1293574648 /nfs/dbraw/zinc/57/46/48/1293574648.db2.gz HJRICJQZQBSFEF-DYVFJYSZSA-N 2 2 345.447 2.439 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591055 1293574653 /nfs/dbraw/zinc/57/46/53/1293574653.db2.gz HJRICJQZQBSFEF-DYVFJYSZSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591055 1293574658 /nfs/dbraw/zinc/57/46/58/1293574658.db2.gz HJRICJQZQBSFEF-DYVFJYSZSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591055 1293574664 /nfs/dbraw/zinc/57/46/64/1293574664.db2.gz HJRICJQZQBSFEF-DYVFJYSZSA-N 2 2 345.447 2.439 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023434 1293989621 /nfs/dbraw/zinc/98/96/21/1293989621.db2.gz MXRIJDFYHBLPIR-ROUUACIJSA-N 2 2 333.476 2.115 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023434 1293989625 /nfs/dbraw/zinc/98/96/25/1293989625.db2.gz MXRIJDFYHBLPIR-ROUUACIJSA-N 2 2 333.476 2.115 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023434 1293989627 /nfs/dbraw/zinc/98/96/27/1293989627.db2.gz MXRIJDFYHBLPIR-ROUUACIJSA-N 2 2 333.476 2.115 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023434 1293989631 /nfs/dbraw/zinc/98/96/31/1293989631.db2.gz MXRIJDFYHBLPIR-ROUUACIJSA-N 2 2 333.476 2.115 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000859274444 1294370507 /nfs/dbraw/zinc/37/05/07/1294370507.db2.gz QJTJWTUZZWVKTG-APWZRJJASA-N 2 2 333.476 2.077 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOC1CCOCC1 ZINC000859274444 1294370516 /nfs/dbraw/zinc/37/05/16/1294370516.db2.gz QJTJWTUZZWVKTG-APWZRJJASA-N 2 2 333.476 2.077 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)cn1 ZINC000927077423 1297008200 /nfs/dbraw/zinc/00/82/00/1297008200.db2.gz BEXPRVUIYOAELC-UHFFFAOYSA-N 2 2 339.443 2.255 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3=CCCCC3)C[C@H]21 ZINC001276736483 1297107320 /nfs/dbraw/zinc/10/73/20/1297107320.db2.gz CUXCGVYTQGFLQW-LDLYASANSA-N 2 2 342.487 2.147 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3=CCCCC3)C[C@H]21 ZINC001276736483 1297107325 /nfs/dbraw/zinc/10/73/25/1297107325.db2.gz CUXCGVYTQGFLQW-LDLYASANSA-N 2 2 342.487 2.147 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001277907522 1305050691 /nfs/dbraw/zinc/05/06/91/1305050691.db2.gz BHSXHMDAGDKXLW-SFHVURJKSA-N 2 2 326.444 2.097 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH+]cn1C ZINC001278408376 1310112515 /nfs/dbraw/zinc/11/25/15/1310112515.db2.gz DHPYSVOQWJMBMQ-FUHWJXTLSA-N 2 2 340.471 2.174 10 0 EEAELP [NH3+]C[C@@H]1CC[C@H]([NH2+]N2CCO[C@@H](c3c(F)cccc3Cl)C2)C1 ZINC000843045291 1315828321 /nfs/dbraw/zinc/82/83/21/1315828321.db2.gz MNGBTSXQFHYBEF-TYNCELHUSA-N 2 2 327.831 2.484 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1CC[NH2+]CC1CCC1 ZINC001263957733 1322569845 /nfs/dbraw/zinc/56/98/45/1322569845.db2.gz IABXTDDMBLVTPK-CRAIPNDOSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001264520459 1322723919 /nfs/dbraw/zinc/72/39/19/1322723919.db2.gz LHGQFDNFJUOQMA-ZIAGYGMSSA-N 2 2 346.397 2.442 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1cscn1)C1CC1 ZINC001265170914 1322963869 /nfs/dbraw/zinc/96/38/69/1322963869.db2.gz GBGYLDOIOLNGQE-INIZCTEOSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1cscn1)C1CC1 ZINC001265170914 1322963873 /nfs/dbraw/zinc/96/38/73/1322963873.db2.gz GBGYLDOIOLNGQE-INIZCTEOSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](Cc1cscn1)C1CC1 ZINC001265170914 1322963878 /nfs/dbraw/zinc/96/38/78/1322963878.db2.gz GBGYLDOIOLNGQE-INIZCTEOSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](Cc1cscn1)C1CC1 ZINC001265170914 1322963879 /nfs/dbraw/zinc/96/38/79/1322963879.db2.gz GBGYLDOIOLNGQE-INIZCTEOSA-N 2 2 336.505 2.098 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CCC[C@@H]3CCOC3)ccn12 ZINC001265775496 1323374542 /nfs/dbraw/zinc/37/45/42/1323374542.db2.gz RNQOVWMHXGFPRS-GOEBONIOSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](C[NH2+]CC[C@@H](C)F)C3)ccn12 ZINC001265976581 1323536294 /nfs/dbraw/zinc/53/62/94/1323536294.db2.gz LYIWGYFZTIHESN-HIFRSBDPSA-N 2 2 332.423 2.443 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001266178277 1323746695 /nfs/dbraw/zinc/74/66/95/1323746695.db2.gz BPOTVPTUTAUSMP-OLZOCXBDSA-N 2 2 349.866 2.321 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001266178277 1323746697 /nfs/dbraw/zinc/74/66/97/1323746697.db2.gz BPOTVPTUTAUSMP-OLZOCXBDSA-N 2 2 349.866 2.321 10 0 EEAELP 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WUJXSSDFJPHBRW-CABCVRRESA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC/C=C\c1ccccc1 ZINC001331646533 1335051403 /nfs/dbraw/zinc/05/14/03/1335051403.db2.gz JIADCHYSZXUXBO-XBMZPMPPSA-N 2 2 326.444 2.423 10 0 EEAELP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1)c1c[nH+]c[nH]1 ZINC001500392650 1342185442 /nfs/dbraw/zinc/18/54/42/1342185442.db2.gz GCIKRZVQCUXZCJ-HNNXBMFYSA-N 2 2 346.397 2.468 10 0 EEAELP Cc1cc(C[N@H+](CCCNC(=O)Cc2[nH]c[nH+]c2C)C2CC2)sn1 ZINC001566602369 1342575272 /nfs/dbraw/zinc/57/52/72/1342575272.db2.gz XJIHDEULSUXTTL-UHFFFAOYSA-N 2 2 347.488 2.196 10 0 EEAELP Cc1cc(C[N@@H+](CCCNC(=O)Cc2[nH]c[nH+]c2C)C2CC2)sn1 ZINC001566602369 1342575276 /nfs/dbraw/zinc/57/52/76/1342575276.db2.gz XJIHDEULSUXTTL-UHFFFAOYSA-N 2 2 347.488 2.196 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccnc(Cl)c1 ZINC001676011684 1357087968 /nfs/dbraw/zinc/08/79/68/1357087968.db2.gz IJDFEMZKFXBBMI-GFCCVEGCSA-N 2 2 349.866 2.384 10 0 EEAELP 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2 338.455 2.287 10 0 EEAELP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC001649917136 1353648534 /nfs/dbraw/zinc/64/85/34/1353648534.db2.gz OSDDFWIRQXVDIB-PKOBYXMFSA-N 2 2 338.455 2.287 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCc2ccccc2C1 ZINC001660313904 1354438193 /nfs/dbraw/zinc/43/81/93/1354438193.db2.gz UZWBKPDEWLRBHT-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCc2ccccc2C1 ZINC001660313904 1354438196 /nfs/dbraw/zinc/43/81/96/1354438196.db2.gz UZWBKPDEWLRBHT-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP CC(C)CCOCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001661614237 1354665068 /nfs/dbraw/zinc/66/50/68/1354665068.db2.gz GDEPWJQOGKBWND-IYBDPMFKSA-N 2 2 344.459 2.476 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001661793005 1354697920 /nfs/dbraw/zinc/69/79/20/1354697920.db2.gz KDBZULZZOIDTDI-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001661942262 1354726341 /nfs/dbraw/zinc/72/63/41/1354726341.db2.gz DNHZUGBPZCTMRN-MSOLQXFVSA-N 2 2 337.508 2.011 10 0 EEAELP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001661942262 1354726344 /nfs/dbraw/zinc/72/63/44/1354726344.db2.gz DNHZUGBPZCTMRN-MSOLQXFVSA-N 2 2 337.508 2.011 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001662052534 1354746205 /nfs/dbraw/zinc/74/62/05/1354746205.db2.gz OOYDRJXARBPWCF-FNEBWNDKSA-N 2 2 342.487 2.238 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001662052534 1354746208 /nfs/dbraw/zinc/74/62/08/1354746208.db2.gz OOYDRJXARBPWCF-FNEBWNDKSA-N 2 2 342.487 2.238 10 0 EEAELP Cc1ncc(C[N@@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)s1 ZINC001664548177 1355192084 /nfs/dbraw/zinc/19/20/84/1355192084.db2.gz IEKJTCFIJVZTTG-UHFFFAOYSA-N 2 2 335.477 2.134 10 0 EEAELP Cc1ncc(C[N@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)s1 ZINC001664548177 1355192086 /nfs/dbraw/zinc/19/20/86/1355192086.db2.gz IEKJTCFIJVZTTG-UHFFFAOYSA-N 2 2 335.477 2.134 10 0 EEAELP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001665641526 1355344178 /nfs/dbraw/zinc/34/41/78/1355344178.db2.gz BMYCYYVWPPSQBO-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001665641526 1355344180 /nfs/dbraw/zinc/34/41/80/1355344180.db2.gz BMYCYYVWPPSQBO-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)Cc1c[nH+]cn1C ZINC001668274260 1355913703 /nfs/dbraw/zinc/91/37/03/1355913703.db2.gz OZDZFCFRKARWSZ-NSHDSACASA-N 2 2 340.880 2.362 10 0 EEAELP O=C(NCC=CC[NH2+]CCC[C@@H]1CCOC1)c1cc2c[nH+]ccc2[nH]1 ZINC001668887898 1356035849 /nfs/dbraw/zinc/03/58/49/1356035849.db2.gz ROYGKPUEGLYZDQ-BGTMTDRBSA-N 2 2 342.443 2.255 10 0 EEAELP COCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001673651427 1356727253 /nfs/dbraw/zinc/72/72/53/1356727253.db2.gz VTQQJUQQDXLLBY-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP COCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001673651427 1356727261 /nfs/dbraw/zinc/72/72/61/1356727261.db2.gz VTQQJUQQDXLLBY-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP CC1([NH2+]CCOCC2CCC2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001673958412 1356765215 /nfs/dbraw/zinc/76/52/15/1356765215.db2.gz ACUGWZFKIIWRMU-UHFFFAOYSA-N 2 2 348.491 2.130 10 0 EEAELP CC1([NH2+]CCOCC2CCC2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001673958412 1356765219 /nfs/dbraw/zinc/76/52/19/1356765219.db2.gz ACUGWZFKIIWRMU-UHFFFAOYSA-N 2 2 348.491 2.130 10 0 EEAELP CC(C)(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001674558374 1356858119 /nfs/dbraw/zinc/85/81/19/1356858119.db2.gz LJPWGTZDBASGGT-HWOWSKLDSA-N 2 2 332.492 2.366 10 0 EEAELP COCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001698737044 1405035717 /nfs/dbraw/zinc/03/57/17/1405035717.db2.gz ALWZLOSKARCLOD-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP COCCC[N@H+]1CCC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001698737044 1405035726 /nfs/dbraw/zinc/03/57/26/1405035726.db2.gz ALWZLOSKARCLOD-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP CCCC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001698899206 1405140294 /nfs/dbraw/zinc/14/02/94/1405140294.db2.gz UBEZRCNWRKKLGE-DOTOQJQBSA-N 2 2 332.492 2.389 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]Cc3cccnc3)ccn12 ZINC001699099453 1405252954 /nfs/dbraw/zinc/25/29/54/1405252954.db2.gz KHOMPQVBGNSVJJ-AWEZNQCLSA-N 2 2 337.427 2.336 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001699276349 1405309798 /nfs/dbraw/zinc/30/97/98/1405309798.db2.gz JDVAKELWUIQACM-DCKQQPRJSA-N 2 2 338.455 2.216 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)Cc1c[nH]c[nH+]1 ZINC001699420098 1405353111 /nfs/dbraw/zinc/35/31/11/1405353111.db2.gz DUPDCEGMDCGQPK-HOCLYGCPSA-N 2 2 326.444 2.167 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC001699590118 1405409944 /nfs/dbraw/zinc/40/99/44/1405409944.db2.gz ZOMYOMPNKMEZMI-YPMHNXCESA-N 2 2 345.274 2.021 10 0 EEAELP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@@H](C)CO1 ZINC000912391965 788156204 /nfs/dbraw/zinc/15/62/04/788156204.db2.gz OSTPMKLSVYUCKV-LSDHHAIUSA-N 2 2 344.459 2.130 10 0 EEAELP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CC(=O)Nc1ccccc1Cl)CC2 ZINC000923458965 789579020 /nfs/dbraw/zinc/57/90/20/789579020.db2.gz XBYXEAWPUZAAMJ-ZDUSSCGKSA-N 2 2 337.851 2.108 10 0 EEAELP CCO[C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1)C[NH+](C)C ZINC000922756876 801825691 /nfs/dbraw/zinc/82/56/91/801825691.db2.gz PWSQRZDNWUKUFB-QGZVFWFLSA-N 2 2 332.448 2.142 10 0 EEAELP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2nocc2C)CC1 ZINC001436761756 1088283825 /nfs/dbraw/zinc/28/38/25/1088283825.db2.gz XQEOKQWXUDQARR-INIZCTEOSA-N 2 2 348.491 2.138 10 0 EEAELP CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2nocc2C)CC1 ZINC001436761756 1088283845 /nfs/dbraw/zinc/28/38/45/1088283845.db2.gz XQEOKQWXUDQARR-INIZCTEOSA-N 2 2 348.491 2.138 10 0 EEAELP Cc1cc(C[NH2+][C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)sn1 ZINC001436811656 1088398501 /nfs/dbraw/zinc/39/85/01/1088398501.db2.gz FSJNOFFGCBYJQT-CZUORRHYSA-N 2 2 347.488 2.284 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(CF)cc1 ZINC001437174423 1089206000 /nfs/dbraw/zinc/20/60/00/1089206000.db2.gz XHQHZERRCSIWTQ-YOEHRIQHSA-N 2 2 344.434 2.210 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@H]1CCc2ccccc21 ZINC001437241292 1089350150 /nfs/dbraw/zinc/35/01/50/1089350150.db2.gz DMEBFMBVTYBYDO-KSSFIOAISA-N 2 2 326.444 2.135 10 0 EEAELP CC[C@@H]([NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC001437273108 1089425335 /nfs/dbraw/zinc/42/53/35/1089425335.db2.gz QMUHHOCGCFGEDC-BLLLJJGKSA-N 2 2 336.386 2.407 10 0 EEAELP Cc1ncc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)s1 ZINC001437530826 1089966571 /nfs/dbraw/zinc/96/65/71/1089966571.db2.gz KUJSKQLMDXLQMC-ZBFHGGJFSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)s1 ZINC001437530826 1089966586 /nfs/dbraw/zinc/96/65/86/1089966586.db2.gz KUJSKQLMDXLQMC-ZBFHGGJFSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[NH+](C)CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)s1 ZINC001437530826 1089966605 /nfs/dbraw/zinc/96/66/05/1089966605.db2.gz KUJSKQLMDXLQMC-ZBFHGGJFSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[NH+](C)CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)s1 ZINC001437530826 1089966621 /nfs/dbraw/zinc/96/66/21/1089966621.db2.gz KUJSKQLMDXLQMC-ZBFHGGJFSA-N 2 2 336.505 2.016 10 0 EEAELP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001437613371 1090120790 /nfs/dbraw/zinc/12/07/90/1090120790.db2.gz BHLYDFZBRJBPNA-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[N@@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001437613371 1090120797 /nfs/dbraw/zinc/12/07/97/1090120797.db2.gz BHLYDFZBRJBPNA-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[NH+](CC)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001437613371 1090120803 /nfs/dbraw/zinc/12/08/03/1090120803.db2.gz BHLYDFZBRJBPNA-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[NH+](CC)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001437613371 1090120808 /nfs/dbraw/zinc/12/08/08/1090120808.db2.gz BHLYDFZBRJBPNA-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP CCCc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cs1 ZINC001437682480 1090218449 /nfs/dbraw/zinc/21/84/49/1090218449.db2.gz RRFWYGLPUJWWFA-OAHLLOKOSA-N 2 2 338.521 2.128 10 0 EEAELP CCCc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cs1 ZINC001437682480 1090218458 /nfs/dbraw/zinc/21/84/58/1090218458.db2.gz RRFWYGLPUJWWFA-OAHLLOKOSA-N 2 2 338.521 2.128 10 0 EEAELP O=C(NCC[N@H+](Cc1cncs1)C1CC1)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001437806339 1090395467 /nfs/dbraw/zinc/39/54/67/1090395467.db2.gz IRRAUDHGTWLTCA-WBVHZDCISA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[N@@H+](Cc1cncs1)C1CC1)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001437806339 1090395474 /nfs/dbraw/zinc/39/54/74/1090395474.db2.gz IRRAUDHGTWLTCA-WBVHZDCISA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001437806339 1090395480 /nfs/dbraw/zinc/39/54/80/1090395480.db2.gz IRRAUDHGTWLTCA-WBVHZDCISA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001437806339 1090395487 /nfs/dbraw/zinc/39/54/87/1090395487.db2.gz IRRAUDHGTWLTCA-WBVHZDCISA-N 2 2 348.516 2.241 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)NC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001438052911 1090621475 /nfs/dbraw/zinc/62/14/75/1090621475.db2.gz KVYMDDJVWGTWKU-SFHVURJKSA-N 2 2 340.471 2.343 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)NC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001438052911 1090621479 /nfs/dbraw/zinc/62/14/79/1090621479.db2.gz KVYMDDJVWGTWKU-SFHVURJKSA-N 2 2 340.471 2.343 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)NC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001438079235 1090631735 /nfs/dbraw/zinc/63/17/35/1090631735.db2.gz KMQNZFIBDWJKMD-CQSZACIVSA-N 2 2 340.418 2.208 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001438671548 1091161888 /nfs/dbraw/zinc/16/18/88/1091161888.db2.gz BEPHRQFXHGTCHC-DZGCQCFKSA-N 2 2 336.480 2.355 10 0 EEAELP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445476611 1091254082 /nfs/dbraw/zinc/25/40/82/1091254082.db2.gz SPQMMVPOWFLFLS-CVEARBPZSA-N 2 2 328.460 2.435 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001445662629 1091451708 /nfs/dbraw/zinc/45/17/08/1091451708.db2.gz BXRJMKHVZKIDNU-NSHDSACASA-N 2 2 341.242 2.484 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001439129413 1091774057 /nfs/dbraw/zinc/77/40/57/1091774057.db2.gz MYZFEHKDWSAOCM-UKRRQHHQSA-N 2 2 346.862 2.393 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001445970383 1091926025 /nfs/dbraw/zinc/92/60/25/1091926025.db2.gz IXPMPKRAZBTXBS-MRXNPFEDSA-N 2 2 347.488 2.031 10 0 EEAELP Cc1cccc(CCC[N@@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001446125975 1092170028 /nfs/dbraw/zinc/17/00/28/1092170028.db2.gz UGJUQIVZFLOFKR-SFHVURJKSA-N 2 2 326.444 2.015 10 0 EEAELP Cc1cccc(CCC[N@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001446125975 1092170036 /nfs/dbraw/zinc/17/00/36/1092170036.db2.gz UGJUQIVZFLOFKR-SFHVURJKSA-N 2 2 326.444 2.015 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001439575102 1092465732 /nfs/dbraw/zinc/46/57/32/1092465732.db2.gz VPCYELSNVJTBGB-HNNXBMFYSA-N 2 2 336.505 2.018 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001439575102 1092465735 /nfs/dbraw/zinc/46/57/35/1092465735.db2.gz VPCYELSNVJTBGB-HNNXBMFYSA-N 2 2 336.505 2.018 10 0 EEAELP CO[C@@H](C[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001439860269 1092889414 /nfs/dbraw/zinc/88/94/14/1092889414.db2.gz PTFRYRXSURSZJN-PKOBYXMFSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@@H](C[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001439860269 1092889421 /nfs/dbraw/zinc/88/94/21/1092889421.db2.gz PTFRYRXSURSZJN-PKOBYXMFSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@@H](C[N@@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001439860269 1092889425 /nfs/dbraw/zinc/88/94/25/1092889425.db2.gz PTFRYRXSURSZJN-PKOBYXMFSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@@H](C[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001439860269 1092889429 /nfs/dbraw/zinc/88/94/29/1092889429.db2.gz PTFRYRXSURSZJN-PKOBYXMFSA-N 2 2 348.491 2.128 10 0 EEAELP CCc1ccccc1[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]C(C)C ZINC001440118897 1093179671 /nfs/dbraw/zinc/17/96/71/1093179671.db2.gz WJYNMFSLAVUOHQ-GOSISDBHSA-N 2 2 328.460 2.381 10 0 EEAELP Cc1nocc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001448599146 1093659909 /nfs/dbraw/zinc/65/99/09/1093659909.db2.gz CGIUQKAIJZAJDV-OAHLLOKOSA-N 2 2 345.447 2.011 10 0 EEAELP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001448708855 1093776650 /nfs/dbraw/zinc/77/66/50/1093776650.db2.gz GNNMDBRZAHZINR-ZIAGYGMSSA-N 2 2 342.434 2.225 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1N(C)C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001440829628 1094081786 /nfs/dbraw/zinc/08/17/86/1094081786.db2.gz RZFWQSXSWAPANE-CVEARBPZSA-N 2 2 343.475 2.022 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC001441216424 1094582083 /nfs/dbraw/zinc/58/20/83/1094582083.db2.gz WHWOLSDHEPJSOE-CYBMUJFWSA-N 2 2 339.430 2.242 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC001441216424 1094582086 /nfs/dbraw/zinc/58/20/86/1094582086.db2.gz WHWOLSDHEPJSOE-CYBMUJFWSA-N 2 2 339.430 2.242 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[N@H+](Cc2ccsc2)CC1(C)C ZINC001441261214 1094665525 /nfs/dbraw/zinc/66/55/25/1094665525.db2.gz YOEMJORSNXBKQS-HNNXBMFYSA-N 2 2 346.500 2.441 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[N@@H+](Cc2ccsc2)CC1(C)C ZINC001441261214 1094665530 /nfs/dbraw/zinc/66/55/30/1094665530.db2.gz YOEMJORSNXBKQS-HNNXBMFYSA-N 2 2 346.500 2.441 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCc1ccccc1 ZINC001441548998 1095275518 /nfs/dbraw/zinc/27/55/18/1095275518.db2.gz ACCDVOQEUFOTIP-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001441561063 1095310094 /nfs/dbraw/zinc/31/00/94/1095310094.db2.gz RLURYBWPMCUIPR-SJORKVTESA-N 2 2 340.471 2.391 10 0 EEAELP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1nc(C)oc1C)CC2)[NH+](C)C ZINC001441862629 1095966195 /nfs/dbraw/zinc/96/61/95/1095966195.db2.gz GVMPDAYXZNZPFO-SCTDSRPQSA-N 2 2 348.491 2.245 10 0 EEAELP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1nc(C)oc1C)CC2)[NH+](C)C ZINC001441862629 1095966200 /nfs/dbraw/zinc/96/62/00/1095966200.db2.gz GVMPDAYXZNZPFO-SCTDSRPQSA-N 2 2 348.491 2.245 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001442068972 1096280497 /nfs/dbraw/zinc/28/04/97/1096280497.db2.gz SAJKGPCXDURAKF-HUUCEWRRSA-N 2 2 336.480 2.267 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001442068972 1096280501 /nfs/dbraw/zinc/28/05/01/1096280501.db2.gz SAJKGPCXDURAKF-HUUCEWRRSA-N 2 2 336.480 2.267 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@H+](C)CCC(F)(F)F)C(C)C ZINC001442112910 1096342376 /nfs/dbraw/zinc/34/23/76/1096342376.db2.gz ZQWJVCOYUPQABB-UHFFFAOYSA-N 2 2 334.386 2.313 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@@H+](C)CCC(F)(F)F)C(C)C ZINC001442112910 1096342383 /nfs/dbraw/zinc/34/23/83/1096342383.db2.gz ZQWJVCOYUPQABB-UHFFFAOYSA-N 2 2 334.386 2.313 10 0 EEAELP C[C@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]C/C(Cl)=C\Cl ZINC001442273263 1096581431 /nfs/dbraw/zinc/58/14/31/1096581431.db2.gz JTBQBJDXZJMZNV-QGWDSQMDSA-N 2 2 345.274 2.249 10 0 EEAELP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1ccc(C)nc1C ZINC001442714775 1097084816 /nfs/dbraw/zinc/08/48/16/1097084816.db2.gz AWIDWVYQLMVBNL-MRXNPFEDSA-N 2 2 343.475 2.484 10 0 EEAELP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)Cc1ccc(C)nc1C ZINC001442714775 1097084819 /nfs/dbraw/zinc/08/48/19/1097084819.db2.gz AWIDWVYQLMVBNL-MRXNPFEDSA-N 2 2 343.475 2.484 10 0 EEAELP C[C@H](F)CC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001442787651 1097165194 /nfs/dbraw/zinc/16/51/94/1097165194.db2.gz TZILRTMXGWKMLP-HOCLYGCPSA-N 2 2 336.455 2.091 10 0 EEAELP C[C@H](F)CC[N@H+]1CCC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001442787651 1097165198 /nfs/dbraw/zinc/16/51/98/1097165198.db2.gz TZILRTMXGWKMLP-HOCLYGCPSA-N 2 2 336.455 2.091 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001442859045 1097252679 /nfs/dbraw/zinc/25/26/79/1097252679.db2.gz WHELGKOBPQOTHQ-HUUCEWRRSA-N 2 2 345.447 2.023 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001442859045 1097252681 /nfs/dbraw/zinc/25/26/81/1097252681.db2.gz WHELGKOBPQOTHQ-HUUCEWRRSA-N 2 2 345.447 2.023 10 0 EEAELP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001443626068 1098121535 /nfs/dbraw/zinc/12/15/35/1098121535.db2.gz ARMCAHXBQJLSMN-ZWKOTPCHSA-N 2 2 335.467 2.476 10 0 EEAELP CC[C@H](F)C[NH+]1CC(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001443626068 1098121540 /nfs/dbraw/zinc/12/15/40/1098121540.db2.gz ARMCAHXBQJLSMN-ZWKOTPCHSA-N 2 2 335.467 2.476 10 0 EEAELP C[C@](C[NH2+]CC1CC2(CCC2)C1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001444179099 1098731601 /nfs/dbraw/zinc/73/16/01/1098731601.db2.gz XJUASYRKZCFFNP-GOSISDBHSA-N 2 2 330.476 2.338 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001444352741 1098915926 /nfs/dbraw/zinc/91/59/26/1098915926.db2.gz LZDWKJAIXAPONA-KBPBESRZSA-N 2 2 328.407 2.051 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)NCCC[N@H+](C)Cc2ccccc2F)no1 ZINC001479780884 1098966133 /nfs/dbraw/zinc/96/61/33/1098966133.db2.gz HGKKLBCIQFAJID-UHFFFAOYSA-N 2 2 348.422 2.127 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)NCCC[N@@H+](C)Cc2ccccc2F)no1 ZINC001479780884 1098966141 /nfs/dbraw/zinc/96/61/41/1098966141.db2.gz HGKKLBCIQFAJID-UHFFFAOYSA-N 2 2 348.422 2.127 10 0 EEAELP O=C(NCC1([NH2+]C[C@H]2CCCCO2)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001444509659 1099249438 /nfs/dbraw/zinc/24/94/38/1099249438.db2.gz XXYQBYZPPIDQCP-BZUAXINKSA-N 2 2 346.475 2.101 10 0 EEAELP O=C(NCC1([NH2+]C[C@H]2CCCCO2)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001444509659 1099249456 /nfs/dbraw/zinc/24/94/56/1099249456.db2.gz XXYQBYZPPIDQCP-BZUAXINKSA-N 2 2 346.475 2.101 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001479973109 1099422008 /nfs/dbraw/zinc/42/20/08/1099422008.db2.gz WRCDDQDSGVQYED-RTBURBONSA-N 2 2 347.503 2.152 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001479973109 1099422012 /nfs/dbraw/zinc/42/20/12/1099422012.db2.gz WRCDDQDSGVQYED-RTBURBONSA-N 2 2 347.503 2.152 10 0 EEAELP C[N@H+](CC[C@@H]1CCCCO1)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480083376 1099634392 /nfs/dbraw/zinc/63/43/92/1099634392.db2.gz CLKIBOLUBRNSFE-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CC[C@@H]1CCCCO1)C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480083376 1099634405 /nfs/dbraw/zinc/63/44/05/1099634405.db2.gz CLKIBOLUBRNSFE-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1cccc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480235118 1099862701 /nfs/dbraw/zinc/86/27/01/1099862701.db2.gz XXLNSWNKYNSWSQ-CALCHBBNSA-N 2 2 340.471 2.407 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001480264540 1099952511 /nfs/dbraw/zinc/95/25/11/1099952511.db2.gz FFEZDUMCWVRMQE-QAPCUYQASA-N 2 2 338.455 2.468 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001480264540 1099952520 /nfs/dbraw/zinc/95/25/20/1099952520.db2.gz FFEZDUMCWVRMQE-QAPCUYQASA-N 2 2 338.455 2.468 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@H](C)c2ncc(C)o2)CC[N@@H+]1C ZINC001444984629 1100111749 /nfs/dbraw/zinc/11/17/49/1100111749.db2.gz BAALAVGXAOAAQH-OWCLPIDISA-N 2 2 336.480 2.165 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@H](C)c2ncc(C)o2)CC[N@H+]1C ZINC001444984629 1100111754 /nfs/dbraw/zinc/11/17/54/1100111754.db2.gz BAALAVGXAOAAQH-OWCLPIDISA-N 2 2 336.480 2.165 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c2ncc(C)o2)CC[NH+]1C ZINC001444984629 1100111760 /nfs/dbraw/zinc/11/17/60/1100111760.db2.gz BAALAVGXAOAAQH-OWCLPIDISA-N 2 2 336.480 2.165 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c2ncc(C)o2)CC[NH+]1C ZINC001444984629 1100111766 /nfs/dbraw/zinc/11/17/66/1100111766.db2.gz BAALAVGXAOAAQH-OWCLPIDISA-N 2 2 336.480 2.165 10 0 EEAELP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001480522830 1100353031 /nfs/dbraw/zinc/35/30/31/1100353031.db2.gz RNSSSYHCYKJEEE-ZFTGLFDFSA-N 2 2 337.508 2.080 10 0 EEAELP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001480522830 1100353042 /nfs/dbraw/zinc/35/30/42/1100353042.db2.gz RNSSSYHCYKJEEE-ZFTGLFDFSA-N 2 2 337.508 2.080 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1C[NH+](CC2CCCCCC2)C1 ZINC001446401816 1100799162 /nfs/dbraw/zinc/79/91/62/1100799162.db2.gz ZTUIKRYSPNWAKC-UHFFFAOYSA-N 2 2 332.492 2.466 10 0 EEAELP CCc1cnc(C[NH2+]CC2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCCC2)o1 ZINC001495181250 1100854306 /nfs/dbraw/zinc/85/43/06/1100854306.db2.gz CWXNMDPSAKRPGS-INIZCTEOSA-N 2 2 348.491 2.240 10 0 EEAELP CCc1cnc(C[NH2+]CC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCCC2)o1 ZINC001495181250 1100854332 /nfs/dbraw/zinc/85/43/32/1100854332.db2.gz CWXNMDPSAKRPGS-INIZCTEOSA-N 2 2 348.491 2.240 10 0 EEAELP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446559819 1101040072 /nfs/dbraw/zinc/04/00/72/1101040072.db2.gz HCHVYAUCLOXJEX-RDTXWAMCSA-N 2 2 330.407 2.364 10 0 EEAELP C[C@H](c1ccccc1F)[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001446559819 1101040079 /nfs/dbraw/zinc/04/00/79/1101040079.db2.gz HCHVYAUCLOXJEX-RDTXWAMCSA-N 2 2 330.407 2.364 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C[NH2+]C/C=C\Cl ZINC001496477629 1101069367 /nfs/dbraw/zinc/06/93/67/1101069367.db2.gz HUTOLWDIZOBWGU-VFXHQOSVSA-N 2 2 338.883 2.322 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001496612494 1101215844 /nfs/dbraw/zinc/21/58/44/1101215844.db2.gz MFOZXOKVEFRILG-KSSFIOAISA-N 2 2 343.475 2.222 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001496612494 1101215853 /nfs/dbraw/zinc/21/58/53/1101215853.db2.gz MFOZXOKVEFRILG-KSSFIOAISA-N 2 2 343.475 2.222 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001446755198 1101360464 /nfs/dbraw/zinc/36/04/64/1101360464.db2.gz GCYQVNPQLRNZDL-IBGZPJMESA-N 2 2 344.459 2.166 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001446755198 1101360473 /nfs/dbraw/zinc/36/04/73/1101360473.db2.gz GCYQVNPQLRNZDL-IBGZPJMESA-N 2 2 344.459 2.166 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CCc1ccccc1F ZINC001495684861 1101435440 /nfs/dbraw/zinc/43/54/40/1101435440.db2.gz XQCWXLFMIXVKHL-FVQBIDKESA-N 2 2 344.434 2.237 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CCc1ccccc1F ZINC001495684861 1101435448 /nfs/dbraw/zinc/43/54/48/1101435448.db2.gz XQCWXLFMIXVKHL-FVQBIDKESA-N 2 2 344.434 2.237 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CC1=CCCCC1 ZINC001495697827 1101452067 /nfs/dbraw/zinc/45/20/67/1101452067.db2.gz XEYOVUVYOZGUDD-DOTOQJQBSA-N 2 2 330.476 2.288 10 0 EEAELP Cc1cc(C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCCC2)sn1 ZINC001495919516 1101764502 /nfs/dbraw/zinc/76/45/02/1101764502.db2.gz WQCIIWURXWSNIF-UHFFFAOYSA-N 2 2 347.488 2.326 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001496171946 1102167131 /nfs/dbraw/zinc/16/71/31/1102167131.db2.gz UYOAGYIGDGUMFR-MRXNPFEDSA-N 2 2 328.460 2.330 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(F)ccc1F ZINC001497318008 1102310205 /nfs/dbraw/zinc/31/02/05/1102310205.db2.gz PXXJQHPIADCQQR-NSHDSACASA-N 2 2 336.386 2.223 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001447419423 1102619544 /nfs/dbraw/zinc/61/95/44/1102619544.db2.gz SETNEFJBELWDPM-FUHWJXTLSA-N 2 2 345.487 2.049 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc2cncs2)c[nH+]1 ZINC001447649689 1103050203 /nfs/dbraw/zinc/05/02/03/1103050203.db2.gz XLMGOQIWSFGRQH-LBPRGKRZSA-N 2 2 335.477 2.068 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC001493896795 1103071347 /nfs/dbraw/zinc/07/13/47/1103071347.db2.gz BWSAHFDOABWELI-KURKYZTESA-N 2 2 338.455 2.381 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC001493896798 1103071660 /nfs/dbraw/zinc/07/16/60/1103071660.db2.gz BWSAHFDOABWELI-KZNAEPCWSA-N 2 2 338.455 2.381 10 0 EEAELP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001448081593 1103958922 /nfs/dbraw/zinc/95/89/22/1103958922.db2.gz QLLWCCNLWHFJJJ-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001448081593 1103958932 /nfs/dbraw/zinc/95/89/32/1103958932.db2.gz QLLWCCNLWHFJJJ-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001448081593 1103958937 /nfs/dbraw/zinc/95/89/37/1103958937.db2.gz QLLWCCNLWHFJJJ-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001448081593 1103958940 /nfs/dbraw/zinc/95/89/40/1103958940.db2.gz QLLWCCNLWHFJJJ-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP Cc1ncccc1C[NH+]1CC([C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001448339452 1104424711 /nfs/dbraw/zinc/42/47/11/1104424711.db2.gz KBRFVUWKNOFCHW-HOCLYGCPSA-N 2 2 341.459 2.174 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001494923087 1104564186 /nfs/dbraw/zinc/56/41/86/1104564186.db2.gz DFLZTTREIWYCFY-OAHLLOKOSA-N 2 2 338.521 2.215 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001494923087 1104564192 /nfs/dbraw/zinc/56/41/92/1104564192.db2.gz DFLZTTREIWYCFY-OAHLLOKOSA-N 2 2 338.521 2.215 10 0 EEAELP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2nc(C)cs2)C1 ZINC001494923087 1104564198 /nfs/dbraw/zinc/56/41/98/1104564198.db2.gz DFLZTTREIWYCFY-OAHLLOKOSA-N 2 2 338.521 2.215 10 0 EEAELP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2nc(C)cs2)C1 ZINC001494923087 1104564203 /nfs/dbraw/zinc/56/42/03/1104564203.db2.gz DFLZTTREIWYCFY-OAHLLOKOSA-N 2 2 338.521 2.215 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC(C)(C)CC(F)(F)F ZINC001453160817 1105985221 /nfs/dbraw/zinc/98/52/21/1105985221.db2.gz HOOGOKDTRJHXGB-UHFFFAOYSA-N 2 2 325.419 2.355 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC(C)(C)CC(F)(F)F ZINC001453160817 1105985225 /nfs/dbraw/zinc/98/52/25/1105985225.db2.gz HOOGOKDTRJHXGB-UHFFFAOYSA-N 2 2 325.419 2.355 10 0 EEAELP Cc1nocc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480711218 1106936000 /nfs/dbraw/zinc/93/60/00/1106936000.db2.gz VRODSHIIRQWLBH-SJORKVTESA-N 2 2 345.447 2.177 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498114687 1106939019 /nfs/dbraw/zinc/93/90/19/1106939019.db2.gz KLMCWFOFMDGSPE-IAOVAPTHSA-N 2 2 344.434 2.266 10 0 EEAELP COCCCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480736198 1107011856 /nfs/dbraw/zinc/01/18/56/1107011856.db2.gz NPXJQXABOIQSEB-IRXDYDNUSA-N 2 2 336.480 2.184 10 0 EEAELP COCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480736198 1107011872 /nfs/dbraw/zinc/01/18/72/1107011872.db2.gz NPXJQXABOIQSEB-IRXDYDNUSA-N 2 2 336.480 2.184 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2ncccc2c1 ZINC001480813566 1107164039 /nfs/dbraw/zinc/16/40/39/1107164039.db2.gz VWCRWBUOEMVGOS-OAHLLOKOSA-N 2 2 337.427 2.116 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001480825168 1107200114 /nfs/dbraw/zinc/20/01/14/1107200114.db2.gz ZNUKYZSHFZGLKE-SFHVURJKSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC001480825168 1107200121 /nfs/dbraw/zinc/20/01/21/1107200121.db2.gz ZNUKYZSHFZGLKE-SFHVURJKSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001480825168 1107200126 /nfs/dbraw/zinc/20/01/26/1107200126.db2.gz ZNUKYZSHFZGLKE-SFHVURJKSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC001480825168 1107200134 /nfs/dbraw/zinc/20/01/34/1107200134.db2.gz ZNUKYZSHFZGLKE-SFHVURJKSA-N 2 2 341.459 2.298 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cncs1 ZINC001480833639 1107231399 /nfs/dbraw/zinc/23/13/99/1107231399.db2.gz CDTYEFYMAYWIQS-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@H+]1Cc1cncs1 ZINC001480833639 1107231408 /nfs/dbraw/zinc/23/14/08/1107231408.db2.gz CDTYEFYMAYWIQS-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP CC[C@H](F)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001498380826 1107424693 /nfs/dbraw/zinc/42/46/93/1107424693.db2.gz KLVYNRZUBGGKEJ-KBPBESRZSA-N 2 2 340.443 2.069 10 0 EEAELP CC[C@H](F)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001498380826 1107424694 /nfs/dbraw/zinc/42/46/94/1107424694.db2.gz KLVYNRZUBGGKEJ-KBPBESRZSA-N 2 2 340.443 2.069 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1oc(C)nc1C ZINC001498454279 1107558819 /nfs/dbraw/zinc/55/88/19/1107558819.db2.gz BEGOUWAKPLJUDT-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1oc(C)nc1C ZINC001498454279 1107558827 /nfs/dbraw/zinc/55/88/27/1107558827.db2.gz BEGOUWAKPLJUDT-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1oc(C)nc1C ZINC001498454279 1107558840 /nfs/dbraw/zinc/55/88/40/1107558840.db2.gz BEGOUWAKPLJUDT-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001493207896 1107685900 /nfs/dbraw/zinc/68/59/00/1107685900.db2.gz WOLYLTIESLLZHC-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001493207896 1107685903 /nfs/dbraw/zinc/68/59/03/1107685903.db2.gz WOLYLTIESLLZHC-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001493207896 1107685906 /nfs/dbraw/zinc/68/59/06/1107685906.db2.gz WOLYLTIESLLZHC-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001493207896 1107685909 /nfs/dbraw/zinc/68/59/09/1107685909.db2.gz WOLYLTIESLLZHC-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001493208246 1107686027 /nfs/dbraw/zinc/68/60/27/1107686027.db2.gz XEEOYAIUJCFHGW-MAUKXSAKSA-N 2 2 347.507 2.418 10 0 EEAELP CCCCC[N@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001493208246 1107686028 /nfs/dbraw/zinc/68/60/28/1107686028.db2.gz XEEOYAIUJCFHGW-MAUKXSAKSA-N 2 2 347.507 2.418 10 0 EEAELP CCCCC[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001493208246 1107686031 /nfs/dbraw/zinc/68/60/31/1107686031.db2.gz XEEOYAIUJCFHGW-MAUKXSAKSA-N 2 2 347.507 2.418 10 0 EEAELP CCCCC[NH+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001493208246 1107686034 /nfs/dbraw/zinc/68/60/34/1107686034.db2.gz XEEOYAIUJCFHGW-MAUKXSAKSA-N 2 2 347.507 2.418 10 0 EEAELP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001498567724 1107734982 /nfs/dbraw/zinc/73/49/82/1107734982.db2.gz KJASHIJQHYLORP-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498572517 1107743180 /nfs/dbraw/zinc/74/31/80/1107743180.db2.gz RHLMNXSNUNHFTH-QGZVFWFLSA-N 2 2 326.444 2.084 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001460778973 1110323700 /nfs/dbraw/zinc/32/37/00/1110323700.db2.gz YWROREQZVZWNTK-LJQANCHMSA-N 2 2 336.451 2.401 10 0 EEAELP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1C[NH+](CC2=CCCCC2)C1 ZINC001499683561 1112441378 /nfs/dbraw/zinc/44/13/78/1112441378.db2.gz PHLNVURHKVJDNT-KRWDZBQOSA-N 2 2 325.472 2.309 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001505622631 1114091840 /nfs/dbraw/zinc/09/18/40/1114091840.db2.gz WWFDOFFZIJEVPS-ZIAGYGMSSA-N 2 2 332.423 2.495 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001505622631 1114091843 /nfs/dbraw/zinc/09/18/43/1114091843.db2.gz WWFDOFFZIJEVPS-ZIAGYGMSSA-N 2 2 332.423 2.495 10 0 EEAELP Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001505947744 1114295428 /nfs/dbraw/zinc/29/54/28/1114295428.db2.gz AKMGGMVVRAJGOX-SJORKVTESA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001505947744 1114295431 /nfs/dbraw/zinc/29/54/31/1114295431.db2.gz AKMGGMVVRAJGOX-SJORKVTESA-N 2 2 340.471 2.391 10 0 EEAELP C[N@H+](CC(=O)N[C@H]1C[NH+](Cc2ccc(F)cn2)CC1(C)C)C1CCC1 ZINC001506744055 1114856356 /nfs/dbraw/zinc/85/63/56/1114856356.db2.gz ZRVWSEAJGGOOJE-KRWDZBQOSA-N 2 2 348.466 2.032 10 0 EEAELP C[N@@H+](CC(=O)N[C@H]1C[NH+](Cc2ccc(F)cn2)CC1(C)C)C1CCC1 ZINC001506744055 1114856357 /nfs/dbraw/zinc/85/63/57/1114856357.db2.gz ZRVWSEAJGGOOJE-KRWDZBQOSA-N 2 2 348.466 2.032 10 0 EEAELP C[NH+](CC(=O)N[C@H]1C[N@H+](Cc2ccc(F)cn2)CC1(C)C)C1CCC1 ZINC001506744055 1114856359 /nfs/dbraw/zinc/85/63/59/1114856359.db2.gz ZRVWSEAJGGOOJE-KRWDZBQOSA-N 2 2 348.466 2.032 10 0 EEAELP C[NH+](CC(=O)N[C@H]1C[N@@H+](Cc2ccc(F)cn2)CC1(C)C)C1CCC1 ZINC001506744055 1114856361 /nfs/dbraw/zinc/85/63/61/1114856361.db2.gz ZRVWSEAJGGOOJE-KRWDZBQOSA-N 2 2 348.466 2.032 10 0 EEAELP CO[C@H](C)C[NH2+]CCC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001506924949 1114977590 /nfs/dbraw/zinc/97/75/90/1114977590.db2.gz ZNNKLAXHASQRNT-DZGCQCFKSA-N 2 2 332.448 2.166 10 0 EEAELP C[C@@H](CCC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001506943624 1114992232 /nfs/dbraw/zinc/99/22/32/1114992232.db2.gz UGBUKOSYFSMSNC-STQMWFEESA-N 2 2 328.407 2.262 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001507016146 1115055771 /nfs/dbraw/zinc/05/57/71/1115055771.db2.gz UKYSOMIDAUCGMX-AEFFLSMTSA-N 2 2 332.492 2.318 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001507086002 1115100439 /nfs/dbraw/zinc/10/04/39/1115100439.db2.gz AMRXBZZIWWVLRE-CQSZACIVSA-N 2 2 345.418 2.409 10 0 EEAELP CC(C)(C)CCC[NH2+][C@@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507201282 1115150844 /nfs/dbraw/zinc/15/08/44/1115150844.db2.gz JIEAPTGOBJHIEI-CQSZACIVSA-N 2 2 332.448 2.070 10 0 EEAELP C[C@H](CC[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001568715888 1124733870 /nfs/dbraw/zinc/73/38/70/1124733870.db2.gz ZWNKAFJPQKYHAC-SJLPKXTDSA-N 2 2 340.471 2.488 10 0 EEAELP CCN(CC[NH2+]CC[C@@H]1CCOC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568754191 1124768719 /nfs/dbraw/zinc/76/87/19/1124768719.db2.gz NRUVKICGEZAOCT-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP Cc1cccnc1C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568871767 1124897361 /nfs/dbraw/zinc/89/73/61/1124897361.db2.gz PVVILVLKZAZGPL-NSCUHMNNSA-N 2 2 335.411 2.342 10 0 EEAELP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)CC1 ZINC001568907667 1124936171 /nfs/dbraw/zinc/93/61/71/1124936171.db2.gz NHEQRHLVLQKMGY-VOTSOKGWSA-N 2 2 348.491 2.076 10 0 EEAELP Cc1cnc(C[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001569214282 1125171102 /nfs/dbraw/zinc/17/11/02/1125171102.db2.gz BBLPLUGHVOSAQJ-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(F)c(F)c1 ZINC001569244117 1125189822 /nfs/dbraw/zinc/18/98/22/1125189822.db2.gz FTEFORSRTDWWDQ-GFCCVEGCSA-N 2 2 336.386 2.430 10 0 EEAELP Cc1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)C2 ZINC000165033851 539542029 /nfs/dbraw/zinc/54/20/29/539542029.db2.gz SKSTUJVAKJKRMR-OAHLLOKOSA-N 2 2 330.476 2.300 10 0 EEAELP Cc1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000165033851 539542033 /nfs/dbraw/zinc/54/20/33/539542033.db2.gz SKSTUJVAKJKRMR-OAHLLOKOSA-N 2 2 330.476 2.300 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC000353585294 539893202 /nfs/dbraw/zinc/89/32/02/539893202.db2.gz QYMISKGOUGKEDN-CHWSQXEVSA-N 2 2 335.414 2.107 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]2CCC[C@@H]21 ZINC000353611730 283133142 /nfs/dbraw/zinc/13/31/42/283133142.db2.gz FCDURWPQDJIASI-CXQPBAHBSA-N 3 2 335.536 2.217 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]2CCC[C@@H]21 ZINC000353611730 283133144 /nfs/dbraw/zinc/13/31/44/283133144.db2.gz FCDURWPQDJIASI-CXQPBAHBSA-N 3 2 335.536 2.217 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072278679 202361546 /nfs/dbraw/zinc/36/15/46/202361546.db2.gz TYXUIYJFCYIFNP-ZWKOTPCHSA-N 2 2 338.455 2.226 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072278679 202361549 /nfs/dbraw/zinc/36/15/49/202361549.db2.gz TYXUIYJFCYIFNP-ZWKOTPCHSA-N 2 2 338.455 2.226 10 0 EEAELP Cc1cncc(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000359974629 201120638 /nfs/dbraw/zinc/12/06/38/201120638.db2.gz AOBKZHZYTJWTCS-VZSQWMKGSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cncc(/C=C/C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000359974629 201120642 /nfs/dbraw/zinc/12/06/42/201120642.db2.gz AOBKZHZYTJWTCS-VZSQWMKGSA-N 2 2 342.487 2.030 10 0 EEAELP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275441015 201282112 /nfs/dbraw/zinc/28/21/12/201282112.db2.gz FWRGLBGBEJYBND-LNLFQRSKSA-N 2 2 329.444 2.488 10 0 EEAELP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422732108 240199384 /nfs/dbraw/zinc/19/93/84/240199384.db2.gz OWAFCWXLYQXFPL-WOJBJXKFSA-N 3 2 329.488 2.008 10 0 EEAELP CC(C)C(=O)Nc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422789804 240225583 /nfs/dbraw/zinc/22/55/83/240225583.db2.gz BOHFFQURSGGFBA-ZWKOTPCHSA-N 2 2 331.460 2.138 10 0 EEAELP Fc1ccc(Br)c(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422947898 240304143 /nfs/dbraw/zinc/30/41/43/240304143.db2.gz QSGZBJPFJFIASA-HUUCEWRRSA-N 2 2 343.240 2.445 10 0 EEAELP Fc1ccc(N2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422902345 240282801 /nfs/dbraw/zinc/28/28/01/240282801.db2.gz UIOHAWLDMYOKEW-ZMYBRWDISA-N 2 2 333.451 2.009 10 0 EEAELP Fc1cccc(N2CCCC2)c1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423103873 240369240 /nfs/dbraw/zinc/36/92/40/240369240.db2.gz LOTMCVCCHZNSON-RTBURBONSA-N 2 2 333.451 2.283 10 0 EEAELP COc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000423034122 240337534 /nfs/dbraw/zinc/33/75/34/240337534.db2.gz PLMCAZWONKOGST-OALUTQOASA-N 2 2 330.472 2.474 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC4CCC3CC4)CC2)CC1 ZINC000426312759 241256453 /nfs/dbraw/zinc/25/64/53/241256453.db2.gz KJRRDHJLKGBCFE-RJYAGPCLSA-N 2 2 348.535 2.423 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccsc2C(=O)OC)C1 ZINC000446784009 242221131 /nfs/dbraw/zinc/22/11/31/242221131.db2.gz HHTINCMBIAHLKP-OAHLLOKOSA-N 2 2 340.489 2.467 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccsc2C(=O)OC)C1 ZINC000446784009 242221133 /nfs/dbraw/zinc/22/11/33/242221133.db2.gz HHTINCMBIAHLKP-OAHLLOKOSA-N 2 2 340.489 2.467 10 0 EEAELP NC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000230099217 242232209 /nfs/dbraw/zinc/23/22/09/242232209.db2.gz XTFKOWXRGJESCT-CGTJXYLNSA-N 2 2 339.439 2.379 10 0 EEAELP NC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000230099217 242232214 /nfs/dbraw/zinc/23/22/14/242232214.db2.gz XTFKOWXRGJESCT-CGTJXYLNSA-N 2 2 339.439 2.379 10 0 EEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000105915204 204180787 /nfs/dbraw/zinc/18/07/87/204180787.db2.gz MZQWKSOWJVMNDS-JLXBBBJOSA-N 2 2 343.515 2.427 10 0 EEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000105915204 204180792 /nfs/dbraw/zinc/18/07/92/204180792.db2.gz MZQWKSOWJVMNDS-JLXBBBJOSA-N 2 2 343.515 2.427 10 0 EEAELP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1nc2c(s1)CCC2 ZINC000111243158 220121023 /nfs/dbraw/zinc/12/10/23/220121023.db2.gz QPROUYNAXYPOTE-UHFFFAOYSA-N 2 2 331.445 2.104 10 0 EEAELP Cc1cn2cc(NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)ccc2[nH+]1 ZINC000266602138 248378253 /nfs/dbraw/zinc/37/82/53/248378253.db2.gz SGVQRCYFUQXXMI-QGZVFWFLSA-N 2 2 330.432 2.374 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1N1CCOCC1 ZINC000177217099 207307734 /nfs/dbraw/zinc/30/77/34/207307734.db2.gz LCDOAVATWCTLMS-APWZRJJASA-N 2 2 326.444 2.025 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1N1CCOCC1 ZINC000177217099 207307738 /nfs/dbraw/zinc/30/77/38/207307738.db2.gz LCDOAVATWCTLMS-APWZRJJASA-N 2 2 326.444 2.025 10 0 EEAELP Brc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000422940909 532964492 /nfs/dbraw/zinc/96/44/92/532964492.db2.gz NSVRNDWCZOGCQR-AAEUAGOBSA-N 2 2 331.279 2.367 10 0 EEAELP CC1CC[NH+](CC2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000052472838 132183805 /nfs/dbraw/zinc/18/38/05/132183805.db2.gz OILRLHAWQSMLGO-UHFFFAOYSA-N 2 2 328.464 2.312 10 0 EEAELP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262693002 152308331 /nfs/dbraw/zinc/30/83/31/152308331.db2.gz ARVBYIFKKVNTCT-CQSZACIVSA-N 2 2 329.435 2.289 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000354176381 153154304 /nfs/dbraw/zinc/15/43/04/153154304.db2.gz KDWYJFRCGAXMMX-LJQANCHMSA-N 3 2 325.460 2.493 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000354176381 153154310 /nfs/dbraw/zinc/15/43/10/153154310.db2.gz KDWYJFRCGAXMMX-LJQANCHMSA-N 3 2 325.460 2.493 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354176381 153154313 /nfs/dbraw/zinc/15/43/13/153154313.db2.gz KDWYJFRCGAXMMX-LJQANCHMSA-N 3 2 325.460 2.493 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000354176381 153154318 /nfs/dbraw/zinc/15/43/18/153154318.db2.gz KDWYJFRCGAXMMX-LJQANCHMSA-N 3 2 325.460 2.493 10 0 EEAELP COc1cccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)n1 ZINC000119168136 159372836 /nfs/dbraw/zinc/37/28/36/159372836.db2.gz BOVVJSSOELQWEO-UHFFFAOYSA-N 2 2 333.355 2.226 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC3=CCCC3)CC2)CC1 ZINC000120159347 159388446 /nfs/dbraw/zinc/38/84/46/159388446.db2.gz MOJMKXPRNVJREA-UHFFFAOYSA-N 2 2 334.508 2.345 10 0 EEAELP Cc1noc2ncnc(NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c12 ZINC000192467525 160170963 /nfs/dbraw/zinc/17/09/63/160170963.db2.gz XVLRZZZMFKAFGW-UHFFFAOYSA-N 2 2 344.463 2.288 10 0 EEAELP COc1ccc(-c2noc([C@H](C)[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)n2)cc1 ZINC000193598857 160183637 /nfs/dbraw/zinc/18/36/37/160183637.db2.gz DFDUKBWOVLFPKQ-AEGPPILISA-N 2 2 328.416 2.300 10 0 EEAELP COc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)n2)cc1 ZINC000193598857 160183638 /nfs/dbraw/zinc/18/36/38/160183638.db2.gz DFDUKBWOVLFPKQ-AEGPPILISA-N 2 2 328.416 2.300 10 0 EEAELP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)n2)cc1 ZINC000193598857 160183640 /nfs/dbraw/zinc/18/36/40/160183640.db2.gz DFDUKBWOVLFPKQ-AEGPPILISA-N 2 2 328.416 2.300 10 0 EEAELP COc1ccc(-c2noc([C@H](C)[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)n2)cc1 ZINC000193598857 160183642 /nfs/dbraw/zinc/18/36/42/160183642.db2.gz DFDUKBWOVLFPKQ-AEGPPILISA-N 2 2 328.416 2.300 10 0 EEAELP CC[C@H](C)[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245855556 160254202 /nfs/dbraw/zinc/25/42/02/160254202.db2.gz CGVGSUHLIVUAHP-IIQAOJFUSA-N 2 2 336.524 2.373 10 0 EEAELP CC[C@H](C)[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245855556 160254203 /nfs/dbraw/zinc/25/42/03/160254203.db2.gz CGVGSUHLIVUAHP-IIQAOJFUSA-N 2 2 336.524 2.373 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000364634193 165214979 /nfs/dbraw/zinc/21/49/79/165214979.db2.gz ZOXHTBPPELYTFV-HUUCEWRRSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)C2 ZINC000364634193 165214988 /nfs/dbraw/zinc/21/49/88/165214988.db2.gz ZOXHTBPPELYTFV-HUUCEWRRSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000364634193 165214992 /nfs/dbraw/zinc/21/49/92/165214992.db2.gz ZOXHTBPPELYTFV-HUUCEWRRSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000364634193 165214996 /nfs/dbraw/zinc/21/49/96/165214996.db2.gz ZOXHTBPPELYTFV-HUUCEWRRSA-N 2 2 332.492 2.486 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCn2cc[nH+]c2)CC1 ZINC000369945260 166362202 /nfs/dbraw/zinc/36/22/02/166362202.db2.gz VQOOMTGTHAWDNK-UHFFFAOYSA-N 2 2 327.432 2.009 10 0 EEAELP COc1cc2c(NC[C@H](C)N3CC[NH+](C)CC3)cc[nH+]c2cc1F ZINC000280652628 269381811 /nfs/dbraw/zinc/38/18/11/269381811.db2.gz FTBHNUMNZXERJJ-ZDUSSCGKSA-N 2 2 332.423 2.430 10 0 EEAELP COc1cc2c(NC[C@H](C)[NH+]3CCN(C)CC3)cc[nH+]c2cc1F ZINC000280652628 269381814 /nfs/dbraw/zinc/38/18/14/269381814.db2.gz FTBHNUMNZXERJJ-ZDUSSCGKSA-N 2 2 332.423 2.430 10 0 EEAELP C[C@H]([NH2+]Cc1cc(=O)n2nccc2[nH]1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189897248 274040220 /nfs/dbraw/zinc/04/02/20/274040220.db2.gz GTHXHOOSQKJQSO-ZDUSSCGKSA-N 2 2 334.383 2.059 10 0 EEAELP Cc1ccc(NCCCNC(=O)NCc2ccc[nH+]c2N(C)C)[nH+]c1 ZINC000193460035 274061713 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0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000429027983 277160373 /nfs/dbraw/zinc/16/03/73/277160373.db2.gz FOLFMJDMSBEHFD-AZUAARDMSA-N 2 2 327.472 2.208 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000429027983 277160375 /nfs/dbraw/zinc/16/03/75/277160375.db2.gz FOLFMJDMSBEHFD-AZUAARDMSA-N 2 2 327.472 2.208 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000429027983 277160376 /nfs/dbraw/zinc/16/03/76/277160376.db2.gz FOLFMJDMSBEHFD-AZUAARDMSA-N 2 2 327.472 2.208 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N[C@H]3CCCc4ccccc43)C2)C1 ZINC000429027983 277160377 /nfs/dbraw/zinc/16/03/77/277160377.db2.gz FOLFMJDMSBEHFD-AZUAARDMSA-N 2 2 327.472 2.208 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000428422638 279021682 /nfs/dbraw/zinc/02/16/82/279021682.db2.gz RRLFCZXBYHMNHS-KSZLIROESA-N 2 2 331.508 2.336 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000428422638 279021685 /nfs/dbraw/zinc/02/16/85/279021685.db2.gz RRLFCZXBYHMNHS-KSZLIROESA-N 2 2 331.508 2.336 10 0 EEAELP CC(C)n1c[nH+]cc1CN1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000425322566 280783986 /nfs/dbraw/zinc/78/39/86/280783986.db2.gz HKSDVJSRKZKZNB-QZTJIDSGSA-N 2 2 333.524 2.454 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000297997243 294392308 /nfs/dbraw/zinc/39/23/08/294392308.db2.gz NTDQYJDZIHLNLI-WMLDXEAASA-N 2 2 329.448 2.394 10 0 EEAELP Cc1nc(N2CCCC[C@@H]2C[NH+]2CCOCC2)c2c([nH+]1)CCCC2 ZINC000302047246 294924925 /nfs/dbraw/zinc/92/49/25/294924925.db2.gz LOZROJZCPOEHRM-MRXNPFEDSA-N 2 2 330.476 2.355 10 0 EEAELP C[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[NH+]1CCSCC1 ZINC000447725822 298195384 /nfs/dbraw/zinc/19/53/84/298195384.db2.gz DTQHFJPWEKVTGH-CJNGLKHVSA-N 2 2 349.500 2.448 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000168346402 311392025 /nfs/dbraw/zinc/39/20/25/311392025.db2.gz 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ZINC000444856187 315329772 /nfs/dbraw/zinc/32/97/72/315329772.db2.gz YJXRQRBKBNJIJU-UHFFFAOYSA-N 2 2 333.480 2.069 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000544016449 318178358 /nfs/dbraw/zinc/17/83/58/318178358.db2.gz GXDQUUAGAQKQGX-PBHICJAKSA-N 2 2 342.443 2.271 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000557038993 318666898 /nfs/dbraw/zinc/66/68/98/318666898.db2.gz VXVWCFSQHBDVNH-UHFFFAOYSA-N 2 2 331.395 2.270 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563958258 319059317 /nfs/dbraw/zinc/05/93/17/319059317.db2.gz OLOBODLCNSOAFJ-IFXJQAMLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563958258 319059320 /nfs/dbraw/zinc/05/93/20/319059320.db2.gz OLOBODLCNSOAFJ-IFXJQAMLSA-N 2 2 347.459 2.106 10 0 EEAELP CC(C)OC[C@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000564861428 319119281 /nfs/dbraw/zinc/11/92/81/319119281.db2.gz ADHIPOZQRKGBGZ-YMAMQOFZSA-N 2 2 338.414 2.167 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC([NH+](C)C)C1 ZINC000566475726 319293456 /nfs/dbraw/zinc/29/34/56/319293456.db2.gz OJCYUQMEVNKLRC-UHFFFAOYSA-N 2 2 332.400 2.410 10 0 EEAELP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000575178926 320093534 /nfs/dbraw/zinc/09/35/34/320093534.db2.gz XGQVJHKOBNWORF-QGZVFWFLSA-N 2 2 335.411 2.102 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC1C2CC3CC(C2)CC1C3 ZINC000578013128 320289061 /nfs/dbraw/zinc/28/90/61/320289061.db2.gz DKFLIYIHUNMNOM-AVHGTGSPSA-N 2 2 331.504 2.003 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC1C2CC3CC(C2)CC1C3 ZINC000578013128 320289062 /nfs/dbraw/zinc/28/90/62/320289062.db2.gz DKFLIYIHUNMNOM-AVHGTGSPSA-N 2 2 331.504 2.003 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cn(-c3ccccc3)nc2C)CC1 ZINC000583208060 324617243 /nfs/dbraw/zinc/61/72/43/324617243.db2.gz WVVCTSNGYNXPOY-UHFFFAOYSA-N 2 2 328.460 2.381 10 0 EEAELP 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EEAELP CCCC[C@H](COC)[NH2+]C[C@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354859347 465197004 /nfs/dbraw/zinc/19/70/04/465197004.db2.gz CXRLCZBYIGVEAM-BZUAXINKSA-N 2 2 326.460 2.127 10 0 EEAELP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Cn1cc[nH+]c1 ZINC000074220992 462571034 /nfs/dbraw/zinc/57/10/34/462571034.db2.gz FKOGTDNTCYUOPR-GOSISDBHSA-N 2 2 326.444 2.254 10 0 EEAELP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Cn1cc[nH+]c1 ZINC000074220992 462571040 /nfs/dbraw/zinc/57/10/40/462571040.db2.gz FKOGTDNTCYUOPR-GOSISDBHSA-N 2 2 326.444 2.254 10 0 EEAELP CC(C)c1nccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000153338853 462640338 /nfs/dbraw/zinc/64/03/38/462640338.db2.gz LMNAZNHKOWDODV-SJPCQFCGSA-N 2 2 329.492 2.347 10 0 EEAELP CC(C)c1nccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000153338853 462640341 /nfs/dbraw/zinc/64/03/41/462640341.db2.gz LMNAZNHKOWDODV-SJPCQFCGSA-N 2 2 329.492 2.347 10 0 EEAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076072993 462800605 /nfs/dbraw/zinc/80/06/05/462800605.db2.gz JJLZFPWSLMEMIR-LBPRGKRZSA-N 2 2 347.385 2.119 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)[nH+]1 ZINC000092813099 462981268 /nfs/dbraw/zinc/98/12/68/462981268.db2.gz MYFPRZUREXYXSY-HNNXBMFYSA-N 2 2 341.459 2.354 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)[nH+]1 ZINC000092813099 462981276 /nfs/dbraw/zinc/98/12/76/462981276.db2.gz MYFPRZUREXYXSY-HNNXBMFYSA-N 2 2 341.459 2.354 10 0 EEAELP COc1ccccc1[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000095405557 463078995 /nfs/dbraw/zinc/07/89/95/463078995.db2.gz XHYDGDJHVVTVGS-IRXDYDNUSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000095405557 463078999 /nfs/dbraw/zinc/07/89/99/463078999.db2.gz XHYDGDJHVVTVGS-IRXDYDNUSA-N 2 2 345.487 2.242 10 0 EEAELP C[C@@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(Br)c1 ZINC000095981668 463125512 /nfs/dbraw/zinc/12/55/12/463125512.db2.gz UKECZRXNVZHQCI-XJKSGUPXSA-N 2 2 340.309 2.388 10 0 EEAELP C[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(Br)c1 ZINC000095981668 463125517 /nfs/dbraw/zinc/12/55/17/463125517.db2.gz UKECZRXNVZHQCI-XJKSGUPXSA-N 2 2 340.309 2.388 10 0 EEAELP COC1CC[NH+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000053907032 463195595 /nfs/dbraw/zinc/19/55/95/463195595.db2.gz OGOOXVMUWHZELW-QGZVFWFLSA-N 2 2 345.487 2.003 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000158016541 463197270 /nfs/dbraw/zinc/19/72/70/463197270.db2.gz MLVUATRZIDVMBQ-GOSISDBHSA-N 2 2 338.455 2.358 10 0 EEAELP CC[NH+]1CCN(Cc2ccc(NC(=O)C[NH+]3CC(C)(C)C3)cc2)CC1 ZINC000552980263 468344783 /nfs/dbraw/zinc/34/47/83/468344783.db2.gz SPTRULLHWQZYQM-UHFFFAOYSA-N 2 2 344.503 2.104 10 0 EEAELP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000122310809 463253883 /nfs/dbraw/zinc/25/38/83/463253883.db2.gz VDTASLGUFJAULI-PMPSAXMXSA-N 2 2 341.496 2.085 10 0 EEAELP C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000122310809 463253887 /nfs/dbraw/zinc/25/38/87/463253887.db2.gz VDTASLGUFJAULI-PMPSAXMXSA-N 2 2 341.496 2.085 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC000079934071 463263098 /nfs/dbraw/zinc/26/30/98/463263098.db2.gz KRENDYOQLHBQFP-INIZCTEOSA-N 2 2 326.444 2.431 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC000079934071 463263103 /nfs/dbraw/zinc/26/31/03/463263103.db2.gz KRENDYOQLHBQFP-INIZCTEOSA-N 2 2 326.444 2.431 10 0 EEAELP C[C@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000080007135 463270850 /nfs/dbraw/zinc/27/08/50/463270850.db2.gz AOPBOBVNIHZXQT-MRXNPFEDSA-N 2 2 345.491 2.082 10 0 EEAELP C[C@@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000080007129 463270913 /nfs/dbraw/zinc/27/09/13/463270913.db2.gz AOPBOBVNIHZXQT-INIZCTEOSA-N 2 2 345.491 2.082 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000123457162 463343144 /nfs/dbraw/zinc/34/31/44/463343144.db2.gz YMVNGOXJCXOKNL-GDBMZVCRSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[N@H+]1C ZINC000123457162 463343147 /nfs/dbraw/zinc/34/31/47/463343147.db2.gz YMVNGOXJCXOKNL-GDBMZVCRSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[NH+]1C ZINC000123457162 463343152 /nfs/dbraw/zinc/34/31/52/463343152.db2.gz YMVNGOXJCXOKNL-GDBMZVCRSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[NH+]1C ZINC000123457162 463343156 /nfs/dbraw/zinc/34/31/56/463343156.db2.gz YMVNGOXJCXOKNL-GDBMZVCRSA-N 2 2 347.459 2.201 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000536490009 468353304 /nfs/dbraw/zinc/35/33/04/468353304.db2.gz CPPKIIMVOZVULY-UHFFFAOYSA-N 2 2 349.438 2.404 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000123586198 463352399 /nfs/dbraw/zinc/35/23/99/463352399.db2.gz KBDFOADWMUPRJC-MRXNPFEDSA-N 2 2 336.443 2.456 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000123586198 463352404 /nfs/dbraw/zinc/35/24/04/463352404.db2.gz KBDFOADWMUPRJC-MRXNPFEDSA-N 2 2 336.443 2.456 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123704930 463361724 /nfs/dbraw/zinc/36/17/24/463361724.db2.gz GKWLMMLRSGNHKJ-SJLPKXTDSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123704930 463361729 /nfs/dbraw/zinc/36/17/29/463361729.db2.gz GKWLMMLRSGNHKJ-SJLPKXTDSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123704930 463361734 /nfs/dbraw/zinc/36/17/34/463361734.db2.gz GKWLMMLRSGNHKJ-SJLPKXTDSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123704930 463361737 /nfs/dbraw/zinc/36/17/37/463361737.db2.gz GKWLMMLRSGNHKJ-SJLPKXTDSA-N 2 2 347.503 2.458 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnn(-c3ccccc3)n2)CC1 ZINC000105876538 463484258 /nfs/dbraw/zinc/48/42/58/463484258.db2.gz UQNIGROTODDTHY-UHFFFAOYSA-N 2 2 336.443 2.456 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000151321736 463512853 /nfs/dbraw/zinc/51/28/53/463512853.db2.gz ZPJUEVYJTVLTHT-YLJYHZDGSA-N 2 2 342.487 2.429 10 0 EEAELP Cc1cc(NCCC[NH+]2CCC(O)CC2)nc(-c2ccncc2)[nH+]1 ZINC000112075173 463690057 /nfs/dbraw/zinc/69/00/57/463690057.db2.gz PDVUJCHJLFGRBJ-UHFFFAOYSA-N 2 2 327.432 2.106 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)c2C)cc1 ZINC000261935249 463903983 /nfs/dbraw/zinc/90/39/83/463903983.db2.gz DDFLTFCCXOFDOH-ORAYPTAESA-N 2 2 328.460 2.336 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)c2C)cc1 ZINC000261935249 463903986 /nfs/dbraw/zinc/90/39/86/463903986.db2.gz DDFLTFCCXOFDOH-ORAYPTAESA-N 2 2 328.460 2.336 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)c2C)cc1 ZINC000261935251 463904628 /nfs/dbraw/zinc/90/46/28/463904628.db2.gz DDFLTFCCXOFDOH-YJYMSZOUSA-N 2 2 328.460 2.336 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)c2C)cc1 ZINC000261935251 463904632 /nfs/dbraw/zinc/90/46/32/463904632.db2.gz DDFLTFCCXOFDOH-YJYMSZOUSA-N 2 2 328.460 2.336 10 0 EEAELP CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745547 463959914 /nfs/dbraw/zinc/95/99/14/463959914.db2.gz BZQPOPGRLBLWQX-SFHVURJKSA-N 2 2 340.427 2.497 10 0 EEAELP CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745547 463959918 /nfs/dbraw/zinc/95/99/18/463959918.db2.gz BZQPOPGRLBLWQX-SFHVURJKSA-N 2 2 340.427 2.497 10 0 EEAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178749293 463961206 /nfs/dbraw/zinc/96/12/06/463961206.db2.gz LATGWJRYRNSTDH-MRXNPFEDSA-N 2 2 340.427 2.497 10 0 EEAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178749293 463961211 /nfs/dbraw/zinc/96/12/11/463961211.db2.gz LATGWJRYRNSTDH-MRXNPFEDSA-N 2 2 340.427 2.497 10 0 EEAELP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000172186893 464012438 /nfs/dbraw/zinc/01/24/38/464012438.db2.gz TWSCXIJZLAIIFM-OAHLLOKOSA-N 2 2 336.524 2.423 10 0 EEAELP O[C@@H](COc1ccccc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515865 464064251 /nfs/dbraw/zinc/06/42/51/464064251.db2.gz DNRDGEDRAQBHQI-IAGOWNOFSA-N 2 2 327.428 2.255 10 0 EEAELP O[C@@H](COc1ccccc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515865 464064256 /nfs/dbraw/zinc/06/42/56/464064256.db2.gz DNRDGEDRAQBHQI-IAGOWNOFSA-N 2 2 327.428 2.255 10 0 EEAELP O[C@H](COCc1cccs1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195519374 464067666 /nfs/dbraw/zinc/06/76/66/464067666.db2.gz SQSYBONEIXVYKG-CVEARBPZSA-N 2 2 347.484 2.455 10 0 EEAELP O[C@H](COCc1cccs1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195519374 464067669 /nfs/dbraw/zinc/06/76/69/464067669.db2.gz SQSYBONEIXVYKG-CVEARBPZSA-N 2 2 347.484 2.455 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000173676032 464306942 /nfs/dbraw/zinc/30/69/42/464306942.db2.gz BWMWIACICUXHBI-RDJZCZTQSA-N 2 2 345.491 2.306 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000173676032 464306948 /nfs/dbraw/zinc/30/69/48/464306948.db2.gz BWMWIACICUXHBI-RDJZCZTQSA-N 2 2 345.491 2.306 10 0 EEAELP CN(C)c1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000264501211 464350784 /nfs/dbraw/zinc/35/07/84/464350784.db2.gz RKYFGKHYPYNJRA-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP COC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000241124319 464449960 /nfs/dbraw/zinc/44/99/60/464449960.db2.gz JHILCBKPICJRBA-CRAIPNDOSA-N 2 2 346.475 2.112 10 0 EEAELP COC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000241124319 464449967 /nfs/dbraw/zinc/44/99/67/464449967.db2.gz JHILCBKPICJRBA-CRAIPNDOSA-N 2 2 346.475 2.112 10 0 EEAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000246086139 464541743 /nfs/dbraw/zinc/54/17/43/464541743.db2.gz GHBSTSTYCMEKGS-IAGOWNOFSA-N 2 2 347.507 2.260 10 0 EEAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000246086139 464541750 /nfs/dbraw/zinc/54/17/50/464541750.db2.gz GHBSTSTYCMEKGS-IAGOWNOFSA-N 2 2 347.507 2.260 10 0 EEAELP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272296639 464552984 /nfs/dbraw/zinc/55/29/84/464552984.db2.gz HZOYMMYZKPGUJY-OAHLLOKOSA-N 2 2 327.432 2.214 10 0 EEAELP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272296639 464552990 /nfs/dbraw/zinc/55/29/90/464552990.db2.gz HZOYMMYZKPGUJY-OAHLLOKOSA-N 2 2 327.432 2.214 10 0 EEAELP C[C@@H]1CC[C@H](C)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000176382022 464761523 /nfs/dbraw/zinc/76/15/23/464761523.db2.gz KTTYZEVHGKPECR-CVEARBPZSA-N 2 2 336.524 2.375 10 0 EEAELP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000249845578 464920241 /nfs/dbraw/zinc/92/02/41/464920241.db2.gz OKLSYWUTEFAGIT-WBVHZDCISA-N 2 2 343.427 2.488 10 0 EEAELP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000249845578 464920245 /nfs/dbraw/zinc/92/02/45/464920245.db2.gz OKLSYWUTEFAGIT-WBVHZDCISA-N 2 2 343.427 2.488 10 0 EEAELP C[NH+]1CCC(CNC(=O)CCc2ccoc2)([NH+]2CCCCC2)CC1 ZINC000177310207 464983107 /nfs/dbraw/zinc/98/31/07/464983107.db2.gz JXRWPTDIYKDYKO-UHFFFAOYSA-N 2 2 333.476 2.279 10 0 EEAELP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000177379149 464999717 /nfs/dbraw/zinc/99/97/17/464999717.db2.gz CPMAFACMWNDIMM-KRWDZBQOSA-N 2 2 333.480 2.178 10 0 EEAELP Cc1nc(NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c(C)c(C)[nH+]1 ZINC000344445069 465618189 /nfs/dbraw/zinc/61/81/89/465618189.db2.gz KFFUQRBNRRRTGI-DOTOQJQBSA-N 2 2 328.464 2.630 10 0 EEAELP Cc1nc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c(C)c(C)[nH+]1 ZINC000344445069 465618197 /nfs/dbraw/zinc/61/81/97/465618197.db2.gz KFFUQRBNRRRTGI-DOTOQJQBSA-N 2 2 328.464 2.630 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3CCCCC3)CC2)CC1 ZINC000360939858 465648032 /nfs/dbraw/zinc/64/80/32/465648032.db2.gz DTDICCNFOMMXAX-UHFFFAOYSA-N 2 2 336.524 2.425 10 0 EEAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2Cc3ccccc3[C@H]2C)C1 ZINC000361074345 465747114 /nfs/dbraw/zinc/74/71/14/465747114.db2.gz UFQACIPJCRFWPX-AEFFLSMTSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2Cc3ccccc3[C@H]2C)C1 ZINC000361074345 465747120 /nfs/dbraw/zinc/74/71/20/465747120.db2.gz UFQACIPJCRFWPX-AEFFLSMTSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2Cc3ccccc3[C@H]2C)C1 ZINC000361074345 465747126 /nfs/dbraw/zinc/74/71/26/465747126.db2.gz UFQACIPJCRFWPX-AEFFLSMTSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2Cc3ccccc3[C@H]2C)C1 ZINC000361074345 465747132 /nfs/dbraw/zinc/74/71/32/465747132.db2.gz UFQACIPJCRFWPX-AEFFLSMTSA-N 2 2 345.487 2.036 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(Nc3nc4c(cccc4F)o3)CC2)CC1 ZINC000362571927 465840396 /nfs/dbraw/zinc/84/03/96/465840396.db2.gz CRGRAPSCDLJWDT-UHFFFAOYSA-N 2 2 332.423 2.937 10 0 EEAELP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353453726 465894808 /nfs/dbraw/zinc/89/48/08/465894808.db2.gz ZJXGQHFKMSUJPV-RTBURBONSA-N 2 2 349.519 2.107 10 0 EEAELP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353453726 465894810 /nfs/dbraw/zinc/89/48/10/465894810.db2.gz ZJXGQHFKMSUJPV-RTBURBONSA-N 2 2 349.519 2.107 10 0 EEAELP CCOC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)n1 ZINC000600119893 468465462 /nfs/dbraw/zinc/46/54/62/468465462.db2.gz DQYQRZXJNSZDBL-INIZCTEOSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)n1 ZINC000600119893 468465467 /nfs/dbraw/zinc/46/54/67/468465467.db2.gz DQYQRZXJNSZDBL-INIZCTEOSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000600119893 468465469 /nfs/dbraw/zinc/46/54/69/468465469.db2.gz DQYQRZXJNSZDBL-INIZCTEOSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000600119893 468465472 /nfs/dbraw/zinc/46/54/72/468465472.db2.gz DQYQRZXJNSZDBL-INIZCTEOSA-N 2 2 331.460 2.422 10 0 EEAELP Cc1cccc2c(NC3CC[NH+](CCS(C)(=O)=O)CC3)cc[nH+]c12 ZINC000301687656 466011193 /nfs/dbraw/zinc/01/11/93/466011193.db2.gz VGFKEIFFLRTHGJ-UHFFFAOYSA-N 2 2 347.484 2.464 10 0 EEAELP CN(C)c1[nH+]cccc1N(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000340634369 466230385 /nfs/dbraw/zinc/23/03/85/466230385.db2.gz SIWCXRPALDQPIE-UHFFFAOYSA-N 2 2 348.472 2.034 10 0 EEAELP CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccn1 ZINC000346985390 466298811 /nfs/dbraw/zinc/29/88/11/466298811.db2.gz QFTQBUUMCZKEBZ-GOSISDBHSA-N 2 2 332.492 2.455 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)c1ccco1 ZINC000363319016 466344103 /nfs/dbraw/zinc/34/41/03/466344103.db2.gz ZQZZXHSTSNNMLW-OAHLLOKOSA-N 2 2 331.420 2.195 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)c1ccco1 ZINC000363319016 466344110 /nfs/dbraw/zinc/34/41/10/466344110.db2.gz ZQZZXHSTSNNMLW-OAHLLOKOSA-N 2 2 331.420 2.195 10 0 EEAELP CC[NH+](CC)CC[C@H](CO)Nc1nc(-c2ccncc2)[nH+]c(C)c1C ZINC000340936113 466448519 /nfs/dbraw/zinc/44/85/19/466448519.db2.gz WUVRPYFPHJUMIM-QGZVFWFLSA-N 2 2 343.475 2.082 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000367622863 466452813 /nfs/dbraw/zinc/45/28/13/466452813.db2.gz HQSTZYMLDPYEKT-ACRUOGEOSA-N 3 2 343.515 2.481 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000367622863 466452824 /nfs/dbraw/zinc/45/28/24/466452824.db2.gz HQSTZYMLDPYEKT-ACRUOGEOSA-N 3 2 343.515 2.481 10 0 EEAELP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368102765 466577682 /nfs/dbraw/zinc/57/76/82/466577682.db2.gz PQBJQOYFLOECKP-ZIAGYGMSSA-N 2 2 333.457 2.027 10 0 EEAELP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@H]2CC3CCC2CC3)CC1 ZINC000569485635 468499553 /nfs/dbraw/zinc/49/95/53/468499553.db2.gz VXVHNMHKILRFQH-CTWPCTMYSA-N 2 2 335.536 2.199 10 0 EEAELP C(C[NH+]1CCC([NH2+]C[C@H]2CC3CCC2CC3)CC1)N1CCOCC1 ZINC000569485635 468499558 /nfs/dbraw/zinc/49/95/58/468499558.db2.gz VXVHNMHKILRFQH-CTWPCTMYSA-N 2 2 335.536 2.199 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000341095285 466580423 /nfs/dbraw/zinc/58/04/23/466580423.db2.gz HZKFGLNZRMZBGM-HOTGVXAUSA-N 2 2 347.507 2.324 10 0 EEAELP CN(C)c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccccc2n1 ZINC000422801050 466683866 /nfs/dbraw/zinc/68/38/66/466683866.db2.gz AXUVBFPLGNYNNI-QUCCMNQESA-N 2 2 340.471 2.157 10 0 EEAELP O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000364822854 466716849 /nfs/dbraw/zinc/71/68/49/466716849.db2.gz TYBAGWOZYHYGIE-SJORKVTESA-N 2 2 328.522 2.009 10 0 EEAELP O=S1(=O)CC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000364822854 466716853 /nfs/dbraw/zinc/71/68/53/466716853.db2.gz TYBAGWOZYHYGIE-SJORKVTESA-N 2 2 328.522 2.009 10 0 EEAELP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000423508877 466761561 /nfs/dbraw/zinc/76/15/61/466761561.db2.gz RAHUFMKTORESMR-ACJLOTCBSA-N 2 2 347.484 2.247 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000369993947 466763543 /nfs/dbraw/zinc/76/35/43/466763543.db2.gz FZXRUEWLKYUODF-QGZVFWFLSA-N 2 2 326.444 2.396 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000369993947 466763547 /nfs/dbraw/zinc/76/35/47/466763547.db2.gz FZXRUEWLKYUODF-QGZVFWFLSA-N 2 2 326.444 2.396 10 0 EEAELP [NH3+]C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000417075983 466772338 /nfs/dbraw/zinc/77/23/38/466772338.db2.gz NSLXQGTYLIIQHL-SFHVURJKSA-N 2 2 341.459 2.248 10 0 EEAELP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417075229 466772409 /nfs/dbraw/zinc/77/24/09/466772409.db2.gz NLTMWGPWYDYOJB-UHFFFAOYSA-N 2 2 329.448 2.058 10 0 EEAELP Cn1cc(Cl)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000420908263 467509405 /nfs/dbraw/zinc/50/94/05/467509405.db2.gz WHWWVUIJLNCIOP-UHFFFAOYSA-N 2 2 326.872 2.008 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C)(C)C(F)(F)F ZINC000431705127 467534255 /nfs/dbraw/zinc/53/42/55/467534255.db2.gz OAJJXWUWUQRRDG-UHFFFAOYSA-N 2 2 337.430 2.449 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CC(C)(C)C(F)(F)F ZINC000431705127 467534259 /nfs/dbraw/zinc/53/42/59/467534259.db2.gz OAJJXWUWUQRRDG-UHFFFAOYSA-N 2 2 337.430 2.449 10 0 EEAELP COc1cc(C)ccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000449026412 467613493 /nfs/dbraw/zinc/61/34/93/467613493.db2.gz FTDIMJLJXJTJAT-UHFFFAOYSA-N 2 2 341.459 2.182 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000457851138 467717196 /nfs/dbraw/zinc/71/71/96/467717196.db2.gz HTESEKUBZRLIBX-UHFFFAOYSA-N 2 2 344.459 2.113 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)C3CCC3)CC2)CC1 ZINC000458134204 467774512 /nfs/dbraw/zinc/77/45/12/467774512.db2.gz SNMILJVMHRGQKL-UHFFFAOYSA-N 2 2 336.524 2.423 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[C@H]([NH+](C)C)C1 ZINC000514641809 467944922 /nfs/dbraw/zinc/94/49/22/467944922.db2.gz MHTTVPRHSPJYHT-PBHICJAKSA-N 2 2 341.459 2.430 10 0 EEAELP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)n1 ZINC000514679691 467948281 /nfs/dbraw/zinc/94/82/81/467948281.db2.gz PUJORDIYQJVHPQ-QGZVFWFLSA-N 2 2 333.476 2.394 10 0 EEAELP COc1cc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(C)n1 ZINC000514679691 467948283 /nfs/dbraw/zinc/94/82/83/467948283.db2.gz PUJORDIYQJVHPQ-QGZVFWFLSA-N 2 2 333.476 2.394 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@@H]2CCC[NH+](Cc3cc(C)ncn3)CC2)ncn1 ZINC000516269722 468022244 /nfs/dbraw/zinc/02/22/44/468022244.db2.gz IILCMPDKOUFWJE-LJQANCHMSA-N 2 2 340.475 2.370 10 0 EEAELP Cc1cc(C[N@H+](C)[C@@H]2CCC[NH+](Cc3cc(C)ncn3)CC2)ncn1 ZINC000516269722 468022248 /nfs/dbraw/zinc/02/22/48/468022248.db2.gz IILCMPDKOUFWJE-LJQANCHMSA-N 2 2 340.475 2.370 10 0 EEAELP Cc1cc(C[NH+](C)[C@@H]2CCC[N@H+](Cc3cc(C)ncn3)CC2)ncn1 ZINC000516269722 468022252 /nfs/dbraw/zinc/02/22/52/468022252.db2.gz IILCMPDKOUFWJE-LJQANCHMSA-N 2 2 340.475 2.370 10 0 EEAELP Cc1cc(C[NH+](C)[C@@H]2CCC[N@@H+](Cc3cc(C)ncn3)CC2)ncn1 ZINC000516269722 468022255 /nfs/dbraw/zinc/02/22/55/468022255.db2.gz IILCMPDKOUFWJE-LJQANCHMSA-N 2 2 340.475 2.370 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C ZINC000533448338 468201408 /nfs/dbraw/zinc/20/14/08/468201408.db2.gz CIDJUDVTZKOUDO-MOAASNJQSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@H+]1C ZINC000533448338 468201411 /nfs/dbraw/zinc/20/14/11/468201411.db2.gz CIDJUDVTZKOUDO-MOAASNJQSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH+]1C ZINC000533448338 468201414 /nfs/dbraw/zinc/20/14/14/468201414.db2.gz CIDJUDVTZKOUDO-MOAASNJQSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH+]1C ZINC000533448338 468201417 /nfs/dbraw/zinc/20/14/17/468201417.db2.gz CIDJUDVTZKOUDO-MOAASNJQSA-N 2 2 333.520 2.486 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@@H]2CC3CCC2CC3)CC1 ZINC000567761929 468205436 /nfs/dbraw/zinc/20/54/36/468205436.db2.gz SEWGPSDCNYYBSX-JCYILVPMSA-N 2 2 336.524 2.138 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000533574052 468214915 /nfs/dbraw/zinc/21/49/15/468214915.db2.gz NJBZWUOMGIHMHJ-IXDOHACOSA-N 2 2 345.491 2.222 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000533574052 468214920 /nfs/dbraw/zinc/21/49/20/468214920.db2.gz NJBZWUOMGIHMHJ-IXDOHACOSA-N 2 2 345.491 2.222 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567889722 468231845 /nfs/dbraw/zinc/23/18/45/468231845.db2.gz NFFQDBIYYQYRFO-AUUYWEPGSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567889722 468231849 /nfs/dbraw/zinc/23/18/49/468231849.db2.gz NFFQDBIYYQYRFO-AUUYWEPGSA-N 2 2 344.459 2.048 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000570221958 468606382 /nfs/dbraw/zinc/60/63/82/468606382.db2.gz CQPYUGKIYSZBDW-MOPGFXCFSA-N 2 2 349.519 2.356 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000570221958 468606387 /nfs/dbraw/zinc/60/63/87/468606387.db2.gz CQPYUGKIYSZBDW-MOPGFXCFSA-N 2 2 349.519 2.356 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000570221958 468606390 /nfs/dbraw/zinc/60/63/90/468606390.db2.gz CQPYUGKIYSZBDW-MOPGFXCFSA-N 2 2 349.519 2.356 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000570221958 468606393 /nfs/dbraw/zinc/60/63/93/468606393.db2.gz CQPYUGKIYSZBDW-MOPGFXCFSA-N 2 2 349.519 2.356 10 0 EEAELP C[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)CS(C)(=O)=O ZINC000582883324 468609997 /nfs/dbraw/zinc/60/99/97/468609997.db2.gz ZIANAOVPAYMVFP-AWEZNQCLSA-N 2 2 339.505 2.080 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000583151907 468652105 /nfs/dbraw/zinc/65/21/05/468652105.db2.gz LXDOXPRDEVTERJ-SFHVURJKSA-N 2 2 344.503 2.236 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000583151907 468652107 /nfs/dbraw/zinc/65/21/07/468652107.db2.gz LXDOXPRDEVTERJ-SFHVURJKSA-N 2 2 344.503 2.236 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cn2cc[nH+]c2)C[C@@H](C)O1 ZINC000571014433 468725307 /nfs/dbraw/zinc/72/53/07/468725307.db2.gz VTULMPWWXMZAJZ-HUUCEWRRSA-N 2 2 328.416 2.131 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000594937262 468726669 /nfs/dbraw/zinc/72/66/69/468726669.db2.gz HHCVALHXGWGHKM-QXCFHYIPSA-N 2 2 346.471 2.065 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000594937262 468726675 /nfs/dbraw/zinc/72/66/75/468726675.db2.gz HHCVALHXGWGHKM-QXCFHYIPSA-N 2 2 346.471 2.065 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000595108125 468760180 /nfs/dbraw/zinc/76/01/80/468760180.db2.gz ZSLALKKJMZTOLX-GOEBONIOSA-N 2 2 326.481 2.197 10 0 EEAELP CC[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H](O)C(F)F ZINC000572243192 468906112 /nfs/dbraw/zinc/90/61/12/468906112.db2.gz PYCFYTKAFWOPPE-WWGRRREGSA-N 2 2 341.402 2.008 10 0 EEAELP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573786444 469205615 /nfs/dbraw/zinc/20/56/15/469205615.db2.gz JPDFIBHRKOYXDJ-CABCVRRESA-N 2 2 342.846 2.215 10 0 EEAELP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573786444 469205620 /nfs/dbraw/zinc/20/56/20/469205620.db2.gz JPDFIBHRKOYXDJ-CABCVRRESA-N 2 2 342.846 2.215 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000629390597 469530136 /nfs/dbraw/zinc/53/01/36/469530136.db2.gz IYGKOPVHLUWEIR-NWDGAFQWSA-N 2 2 327.222 2.408 10 0 EEAELP COc1nsc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000623051646 469534592 /nfs/dbraw/zinc/53/45/92/469534592.db2.gz GNWXDKIECXHFAV-RKDXNWHRSA-N 2 2 334.283 2.487 10 0 EEAELP COc1nsc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1Br ZINC000623051646 469534595 /nfs/dbraw/zinc/53/45/95/469534595.db2.gz GNWXDKIECXHFAV-RKDXNWHRSA-N 2 2 334.283 2.487 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000626285729 469563564 /nfs/dbraw/zinc/56/35/64/469563564.db2.gz AFZYXPPZFPIKMD-ZHALLVOQSA-N 2 2 338.455 2.316 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000626285729 469563567 /nfs/dbraw/zinc/56/35/67/469563567.db2.gz AFZYXPPZFPIKMD-ZHALLVOQSA-N 2 2 338.455 2.316 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000629655891 469599958 /nfs/dbraw/zinc/59/99/58/469599958.db2.gz LPUUGEKRQHRMPP-GWCFXTLKSA-N 2 2 328.254 2.473 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000623415289 469650154 /nfs/dbraw/zinc/65/01/54/469650154.db2.gz GNZMRHWFIODPLJ-SJORKVTESA-N 2 2 326.444 2.173 10 0 EEAELP COc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1OC1CC1 ZINC000623557531 469693032 /nfs/dbraw/zinc/69/30/32/469693032.db2.gz AKKJLCBIRJPYJM-UHFFFAOYSA-N 2 2 334.460 2.173 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(Cc2ccccc2)CCC1 ZINC000617765637 469796112 /nfs/dbraw/zinc/79/61/12/469796112.db2.gz KOBOUTGWMXSNEW-UHFFFAOYSA-N 2 2 331.504 2.399 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(Cc2ccccc2)CCC1 ZINC000617765637 469796117 /nfs/dbraw/zinc/79/61/17/469796117.db2.gz KOBOUTGWMXSNEW-UHFFFAOYSA-N 2 2 331.504 2.399 10 0 EEAELP C[C@@H](Cn1ccc2ccccc21)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764182 469796396 /nfs/dbraw/zinc/79/63/96/469796396.db2.gz LZIXKEWDVAANGI-KRWDZBQOSA-N 2 2 344.503 2.277 10 0 EEAELP C[C@@H](Cn1ccc2ccccc21)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764182 469796400 /nfs/dbraw/zinc/79/64/00/469796400.db2.gz LZIXKEWDVAANGI-KRWDZBQOSA-N 2 2 344.503 2.277 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000617764867 469796689 /nfs/dbraw/zinc/79/66/89/469796689.db2.gz JWHVTMGIYVIDNQ-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000617764867 469796692 /nfs/dbraw/zinc/79/66/92/469796692.db2.gz JWHVTMGIYVIDNQ-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)cc1F ZINC000617765754 469797746 /nfs/dbraw/zinc/79/77/46/469797746.db2.gz OZABURAIAMGTJC-UHFFFAOYSA-N 2 2 329.847 2.401 10 0 EEAELP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)cc1F ZINC000617765754 469797748 /nfs/dbraw/zinc/79/77/48/469797748.db2.gz OZABURAIAMGTJC-UHFFFAOYSA-N 2 2 329.847 2.401 10 0 EEAELP Cc1ccc(C)c(SCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617768738 469799414 /nfs/dbraw/zinc/79/94/14/469799414.db2.gz SGUNSJKMWKPACL-UHFFFAOYSA-N 2 2 337.533 2.395 10 0 EEAELP Cc1ccc(C)c(SCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617768738 469799416 /nfs/dbraw/zinc/79/94/16/469799416.db2.gz SGUNSJKMWKPACL-UHFFFAOYSA-N 2 2 337.533 2.395 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[NH2+]1 ZINC000627207632 469844625 /nfs/dbraw/zinc/84/46/25/469844625.db2.gz QTVKAZZDLGPJNG-OWCLPIDISA-N 2 2 345.491 2.249 10 0 EEAELP CN(C(=O)C1(C(F)F)CCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631247513 470101640 /nfs/dbraw/zinc/10/16/40/470101640.db2.gz VPELZSKPZVXTJL-AWEZNQCLSA-N 2 2 329.435 2.049 10 0 EEAELP CN(C(=O)C1(C(F)F)CCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631247513 470101642 /nfs/dbraw/zinc/10/16/42/470101642.db2.gz VPELZSKPZVXTJL-AWEZNQCLSA-N 2 2 329.435 2.049 10 0 EEAELP Cc1cc(C(F)F)oc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625518953 470159597 /nfs/dbraw/zinc/15/95/97/470159597.db2.gz GMHLGIXAVOXVPE-LBPRGKRZSA-N 2 2 341.402 2.424 10 0 EEAELP Cc1cc(C(F)F)oc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625518953 470159600 /nfs/dbraw/zinc/15/96/00/470159600.db2.gz GMHLGIXAVOXVPE-LBPRGKRZSA-N 2 2 341.402 2.424 10 0 EEAELP CCC1([NH+](C)C)CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000632861415 470279200 /nfs/dbraw/zinc/27/92/00/470279200.db2.gz MUQGAQGPHZHNPH-UHFFFAOYSA-N 2 2 347.507 2.278 10 0 EEAELP Cc1nn(C)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1Br ZINC000634733261 470287707 /nfs/dbraw/zinc/28/77/07/470287707.db2.gz BHESCGUXSLJOLS-LLVKDONJSA-N 2 2 329.286 2.359 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000648891068 470384423 /nfs/dbraw/zinc/38/44/23/470384423.db2.gz BEPCMHUTHQUMRN-MRXNPFEDSA-N 2 2 341.459 2.449 10 0 EEAELP Cc1ccc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000633494069 470485451 /nfs/dbraw/zinc/48/54/51/470485451.db2.gz KBSHTBKVUQNYHU-SJPCQFCGSA-N 2 2 346.475 2.040 10 0 EEAELP Cc1ccc(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000633494069 470485454 /nfs/dbraw/zinc/48/54/54/470485454.db2.gz KBSHTBKVUQNYHU-SJPCQFCGSA-N 2 2 346.475 2.040 10 0 EEAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000649393472 470571849 /nfs/dbraw/zinc/57/18/49/470571849.db2.gz UWQFAZPCUOOHDD-GOSISDBHSA-N 2 2 343.471 2.142 10 0 EEAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000649393472 470571856 /nfs/dbraw/zinc/57/18/56/470571856.db2.gz UWQFAZPCUOOHDD-GOSISDBHSA-N 2 2 343.471 2.142 10 0 EEAELP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635444005 470590226 /nfs/dbraw/zinc/59/02/26/470590226.db2.gz NNJZIOQURVPMJR-HZPDHXFCSA-N 2 2 330.407 2.243 10 0 EEAELP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635444005 470590228 /nfs/dbraw/zinc/59/02/28/470590228.db2.gz NNJZIOQURVPMJR-HZPDHXFCSA-N 2 2 330.407 2.243 10 0 EEAELP c1ccc(N2CC[NH+](CCC[N@@H+]3CCC34CCOCC4)CC2)cc1 ZINC000649501002 470605624 /nfs/dbraw/zinc/60/56/24/470605624.db2.gz IZZKGRSKFRVNGL-UHFFFAOYSA-N 2 2 329.488 2.454 10 0 EEAELP c1ccc(N2CC[NH+](CCC[N@H+]3CCC34CCOCC4)CC2)cc1 ZINC000649501002 470605629 /nfs/dbraw/zinc/60/56/29/470605629.db2.gz IZZKGRSKFRVNGL-UHFFFAOYSA-N 2 2 329.488 2.454 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635653793 470695170 /nfs/dbraw/zinc/69/51/70/470695170.db2.gz SEKBFLFTSMEOSK-IAGOWNOFSA-N 2 2 340.427 2.109 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635653793 470695174 /nfs/dbraw/zinc/69/51/74/470695174.db2.gz SEKBFLFTSMEOSK-IAGOWNOFSA-N 2 2 340.427 2.109 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000646773959 470732456 /nfs/dbraw/zinc/73/24/56/470732456.db2.gz PMQUMKMXJCVYQZ-GFCCVEGCSA-N 2 2 332.473 2.312 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000646773959 470732462 /nfs/dbraw/zinc/73/24/62/470732462.db2.gz PMQUMKMXJCVYQZ-GFCCVEGCSA-N 2 2 332.473 2.312 10 0 EEAELP CC(C)C[N@H+](C)CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000650130436 470798910 /nfs/dbraw/zinc/79/89/10/470798910.db2.gz VALPNBPEERLICD-INIZCTEOSA-N 2 2 325.884 2.304 10 0 EEAELP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000650130436 470798913 /nfs/dbraw/zinc/79/89/13/470798913.db2.gz VALPNBPEERLICD-INIZCTEOSA-N 2 2 325.884 2.304 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@]1(O)CCOC1 ZINC000647340050 470884626 /nfs/dbraw/zinc/88/46/26/470884626.db2.gz DPMIPHXGJOYPSF-QUCCMNQESA-N 2 2 332.488 2.418 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@]1(O)CCOC1 ZINC000647340050 470884630 /nfs/dbraw/zinc/88/46/30/470884630.db2.gz DPMIPHXGJOYPSF-QUCCMNQESA-N 2 2 332.488 2.418 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000644548041 470980181 /nfs/dbraw/zinc/98/01/81/470980181.db2.gz MFUNQVCXALDPAY-RYUDHWBXSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000644548041 470980185 /nfs/dbraw/zinc/98/01/85/470980185.db2.gz MFUNQVCXALDPAY-RYUDHWBXSA-N 2 2 333.259 2.417 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCc1ccccc1-n1cc[nH+]c1 ZINC000651655003 471072957 /nfs/dbraw/zinc/07/29/57/471072957.db2.gz KAUCLLNRYIKTQH-UHFFFAOYSA-N 2 2 335.411 2.264 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000651196928 471086245 /nfs/dbraw/zinc/08/62/45/471086245.db2.gz RIYDCBPABGLYID-HNNXBMFYSA-N 2 2 335.496 2.491 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C ZINC000651196928 471086251 /nfs/dbraw/zinc/08/62/51/471086251.db2.gz RIYDCBPABGLYID-HNNXBMFYSA-N 2 2 335.496 2.491 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000648161065 471105453 /nfs/dbraw/zinc/10/54/53/471105453.db2.gz SNTHOCJNWJOATF-FMKPAKJESA-N 2 2 341.377 2.107 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000648161065 471105457 /nfs/dbraw/zinc/10/54/57/471105457.db2.gz SNTHOCJNWJOATF-FMKPAKJESA-N 2 2 341.377 2.107 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244186 471291054 /nfs/dbraw/zinc/29/10/54/471291054.db2.gz NXGRCXQHXIPVED-CUSZFKRNSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244186 471291056 /nfs/dbraw/zinc/29/10/56/471291056.db2.gz NXGRCXQHXIPVED-CUSZFKRNSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244186 471291061 /nfs/dbraw/zinc/29/10/61/471291061.db2.gz NXGRCXQHXIPVED-CUSZFKRNSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244186 471291063 /nfs/dbraw/zinc/29/10/63/471291063.db2.gz NXGRCXQHXIPVED-CUSZFKRNSA-N 2 2 337.508 2.007 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658342990 471291354 /nfs/dbraw/zinc/29/13/54/471291354.db2.gz PQGBUKAQNNIHLV-WTGUMLROSA-N 2 2 343.515 2.206 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658342990 471291356 /nfs/dbraw/zinc/29/13/56/471291356.db2.gz PQGBUKAQNNIHLV-WTGUMLROSA-N 2 2 343.515 2.206 10 0 EEAELP C[C@@]1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCC[NH2+]C1 ZINC000669028433 471354806 /nfs/dbraw/zinc/35/48/06/471354806.db2.gz OBZWUAGOVRUVRS-MRXNPFEDSA-N 2 2 335.839 2.177 10 0 EEAELP Cc1cc(N(C)C)cc(C)c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000666424265 471396862 /nfs/dbraw/zinc/39/68/62/471396862.db2.gz KFIRZBODAOFBAM-UHFFFAOYSA-N 2 2 349.523 2.374 10 0 EEAELP Cc1cc(N(C)C)cc(C)c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000666424265 471396867 /nfs/dbraw/zinc/39/68/67/471396867.db2.gz KFIRZBODAOFBAM-UHFFFAOYSA-N 2 2 349.523 2.374 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C3(CCO)CCCC3)c2cc1C ZINC000660679432 471442706 /nfs/dbraw/zinc/44/27/06/471442706.db2.gz BAKFXMLLMUMWMO-MRXNPFEDSA-N 2 2 331.460 2.299 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000653077910 471475537 /nfs/dbraw/zinc/47/55/37/471475537.db2.gz OKZRBKDDYNLAOS-KRWDZBQOSA-N 2 2 347.409 2.449 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902457 471544051 /nfs/dbraw/zinc/54/40/51/471544051.db2.gz KTFIQDJHVFJWHS-OALUTQOASA-N 2 2 332.488 2.347 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902457 471544056 /nfs/dbraw/zinc/54/40/56/471544056.db2.gz KTFIQDJHVFJWHS-OALUTQOASA-N 2 2 332.488 2.347 10 0 EEAELP CC[C@H](C)n1ncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000666872054 471570002 /nfs/dbraw/zinc/57/00/02/471570002.db2.gz QVWSJPILIZVAHJ-AWEZNQCLSA-N 2 2 338.500 2.168 10 0 EEAELP CC[C@H](C)n1ncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000666872054 471570009 /nfs/dbraw/zinc/57/00/09/471570009.db2.gz QVWSJPILIZVAHJ-AWEZNQCLSA-N 2 2 338.500 2.168 10 0 EEAELP Cc1cc[nH+]c(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)c1 ZINC000664535652 471784659 /nfs/dbraw/zinc/78/46/59/471784659.db2.gz QSCKPDALFVHBLM-IBGZPJMESA-N 2 2 327.428 2.065 10 0 EEAELP Cc1cc[nH+]c(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)c1 ZINC000664535652 471784667 /nfs/dbraw/zinc/78/46/67/471784667.db2.gz QSCKPDALFVHBLM-IBGZPJMESA-N 2 2 327.428 2.065 10 0 EEAELP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000667949181 471959213 /nfs/dbraw/zinc/95/92/13/471959213.db2.gz HPMUSGKBVPQPRQ-UHFFFAOYSA-N 2 2 337.423 2.120 10 0 EEAELP O=C(CC[N@H+]1CCc2ccccc2C1)N1CC(Oc2cc[nH+]cc2)C1 ZINC000667949181 471959217 /nfs/dbraw/zinc/95/92/17/471959217.db2.gz HPMUSGKBVPQPRQ-UHFFFAOYSA-N 2 2 337.423 2.120 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@H](OC)[C@H]2CCOC2)[C@H]2CCC[NH2+]2)cc1 ZINC000665234309 471975901 /nfs/dbraw/zinc/97/59/01/471975901.db2.gz ATOFLBZLRLQLJU-NQYYFHDYSA-N 2 2 334.460 2.129 10 0 EEAELP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278736 471987572 /nfs/dbraw/zinc/98/75/72/471987572.db2.gz NPHQIUHREILCIM-FTJRRQOFSA-N 2 2 348.512 2.422 10 0 EEAELP O[C@H]([C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668068748 471996514 /nfs/dbraw/zinc/99/65/14/471996514.db2.gz VZEOQJBTKIZJRL-SWLSCSKDSA-N 2 2 340.349 2.403 10 0 EEAELP O[C@H]([C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668068748 471996520 /nfs/dbraw/zinc/99/65/20/471996520.db2.gz VZEOQJBTKIZJRL-SWLSCSKDSA-N 2 2 340.349 2.403 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000662152332 472012110 /nfs/dbraw/zinc/01/21/10/472012110.db2.gz RSAYNFHRFHDNKA-CQSZACIVSA-N 2 2 342.842 2.389 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](CCOc3ccc(Cl)c(F)c3)CC2)C1 ZINC000662152332 472012115 /nfs/dbraw/zinc/01/21/15/472012115.db2.gz RSAYNFHRFHDNKA-CQSZACIVSA-N 2 2 342.842 2.389 10 0 EEAELP COc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1SC ZINC000662156492 472013141 /nfs/dbraw/zinc/01/31/41/472013141.db2.gz MIGRKEYYUJAIHV-INIZCTEOSA-N 2 2 336.501 2.448 10 0 EEAELP COc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1SC ZINC000662156492 472013146 /nfs/dbraw/zinc/01/31/46/472013146.db2.gz MIGRKEYYUJAIHV-INIZCTEOSA-N 2 2 336.501 2.448 10 0 EEAELP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](C[C@@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662258143 472046369 /nfs/dbraw/zinc/04/63/69/472046369.db2.gz SDDDXFPVQKZZRK-ZBFHGGJFSA-N 2 2 346.406 2.044 10 0 EEAELP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](C[C@@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662258143 472046372 /nfs/dbraw/zinc/04/63/72/472046372.db2.gz SDDDXFPVQKZZRK-ZBFHGGJFSA-N 2 2 346.406 2.044 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CCO1 ZINC000662319107 472068750 /nfs/dbraw/zinc/06/87/50/472068750.db2.gz DLSZBTKBJVHBIT-RBUKOAKNSA-N 2 2 345.487 2.225 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CCO1 ZINC000662319107 472068757 /nfs/dbraw/zinc/06/87/57/472068757.db2.gz DLSZBTKBJVHBIT-RBUKOAKNSA-N 2 2 345.487 2.225 10 0 EEAELP Cc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])COC(C)C)ccc2n1C1CC1 ZINC000662545537 472147495 /nfs/dbraw/zinc/14/74/95/472147495.db2.gz CRXOIJJPXSUVAV-HNNXBMFYSA-N 2 2 330.432 2.048 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000668574564 472180832 /nfs/dbraw/zinc/18/08/32/472180832.db2.gz XJBOFRNHZKGKSY-CYBMUJFWSA-N 2 2 337.414 2.140 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000668574564 472180839 /nfs/dbraw/zinc/18/08/39/472180839.db2.gz XJBOFRNHZKGKSY-CYBMUJFWSA-N 2 2 337.414 2.140 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662663887 472194106 /nfs/dbraw/zinc/19/41/06/472194106.db2.gz LWMJMRCJMKQSEA-UHFFFAOYSA-N 2 2 341.415 2.347 10 0 EEAELP CC(C)([NH3+])c1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)on1 ZINC000662672940 472198275 /nfs/dbraw/zinc/19/82/75/472198275.db2.gz HZMUQIAOIYQQOK-UHFFFAOYSA-N 2 2 343.431 2.184 10 0 EEAELP CC(C)([NH3+])c1cc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)on1 ZINC000662671391 472198414 /nfs/dbraw/zinc/19/84/14/472198414.db2.gz PEXVVUVNGDVGDW-UHFFFAOYSA-N 2 2 339.399 2.043 10 0 EEAELP COc1cc(F)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1OC ZINC000668788440 472268468 /nfs/dbraw/zinc/26/84/68/472268468.db2.gz ZQGBCZPMVNHWMW-OAHLLOKOSA-N 2 2 340.439 2.386 10 0 EEAELP COc1cc(F)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1OC ZINC000668788440 472268474 /nfs/dbraw/zinc/26/84/74/472268474.db2.gz ZQGBCZPMVNHWMW-OAHLLOKOSA-N 2 2 340.439 2.386 10 0 EEAELP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2cccc3c2OCO3)CCC[N@@H+]1C ZINC000583616501 485580607 /nfs/dbraw/zinc/58/06/07/485580607.db2.gz BGOJXHNHVBOWGZ-KBXCAEBGSA-N 2 2 342.443 2.322 10 0 EEAELP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2cccc3c2OCO3)CCC[N@H+]1C ZINC000583616501 485580612 /nfs/dbraw/zinc/58/06/12/485580612.db2.gz BGOJXHNHVBOWGZ-KBXCAEBGSA-N 2 2 342.443 2.322 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652099 485586825 /nfs/dbraw/zinc/58/68/25/485586825.db2.gz GPCKUILQFKIONP-FQEVSTJZSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660652099 485586831 /nfs/dbraw/zinc/58/68/31/485586831.db2.gz GPCKUILQFKIONP-FQEVSTJZSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660652099 485586837 /nfs/dbraw/zinc/58/68/37/485586837.db2.gz GPCKUILQFKIONP-FQEVSTJZSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660652099 485586844 /nfs/dbraw/zinc/58/68/44/485586844.db2.gz GPCKUILQFKIONP-FQEVSTJZSA-N 2 2 329.488 2.453 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1)CC2 ZINC000624760840 485679768 /nfs/dbraw/zinc/67/97/68/485679768.db2.gz IFYJAIGJLFLJSY-MRXNPFEDSA-N 2 2 344.459 2.246 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629542171 485730501 /nfs/dbraw/zinc/73/05/01/485730501.db2.gz ZPPZRMCBRWEMLH-HEHGZKQESA-N 2 2 325.478 2.239 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629542174 485730772 /nfs/dbraw/zinc/73/07/72/485730772.db2.gz ZPPZRMCBRWEMLH-XEZPLFJOSA-N 2 2 325.478 2.239 10 0 EEAELP C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634699732 485820792 /nfs/dbraw/zinc/82/07/92/485820792.db2.gz OCPLNJNKRAEFHJ-AQNXPRMDSA-N 2 2 332.488 2.153 10 0 EEAELP C[C@](O)(C[C@@H](O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634699732 485820798 /nfs/dbraw/zinc/82/07/98/485820798.db2.gz OCPLNJNKRAEFHJ-AQNXPRMDSA-N 2 2 332.488 2.153 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl)C[NH+]1CCCC1 ZINC000675766155 486063764 /nfs/dbraw/zinc/06/37/64/486063764.db2.gz DVCUOLDEXIGSCU-GXFFZTMASA-N 2 2 331.243 2.473 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCOCC2(CCCC2)C1 ZINC000681474009 486249297 /nfs/dbraw/zinc/24/92/97/486249297.db2.gz JRQNHVBSCIBHSS-LJQANCHMSA-N 2 2 332.488 2.372 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCOCC2(CCCC2)C1 ZINC000681474009 486249301 /nfs/dbraw/zinc/24/93/01/486249301.db2.gz JRQNHVBSCIBHSS-LJQANCHMSA-N 2 2 332.488 2.372 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000681474009 486249303 /nfs/dbraw/zinc/24/93/03/486249303.db2.gz JRQNHVBSCIBHSS-LJQANCHMSA-N 2 2 332.488 2.372 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000681474009 486249307 /nfs/dbraw/zinc/24/93/07/486249307.db2.gz JRQNHVBSCIBHSS-LJQANCHMSA-N 2 2 332.488 2.372 10 0 EEAELP Cn1nc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2ccccc21 ZINC000678241263 486596678 /nfs/dbraw/zinc/59/66/78/486596678.db2.gz FFTHPAYKIVFXAU-QGZVFWFLSA-N 2 2 341.503 2.175 10 0 EEAELP Cn1nc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2ccccc21 ZINC000678241263 486596680 /nfs/dbraw/zinc/59/66/80/486596680.db2.gz FFTHPAYKIVFXAU-QGZVFWFLSA-N 2 2 341.503 2.175 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000536050158 490619274 /nfs/dbraw/zinc/61/92/74/490619274.db2.gz OPRPADWVGIDUII-QGZVFWFLSA-N 2 2 339.443 2.485 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000536050158 490619280 /nfs/dbraw/zinc/61/92/80/490619280.db2.gz OPRPADWVGIDUII-QGZVFWFLSA-N 2 2 339.443 2.485 10 0 EEAELP COc1cc2c(c(OC)c1OC)CC[N@H+](CCc1c[nH+]cn1C)CC2 ZINC000459342392 536889303 /nfs/dbraw/zinc/88/93/03/536889303.db2.gz FAPCDYIQKUOGQM-UHFFFAOYSA-N 2 2 345.443 2.089 10 0 EEAELP COc1cc2c(c(OC)c1OC)CC[N@@H+](CCc1c[nH+]cn1C)CC2 ZINC000459342392 536889307 /nfs/dbraw/zinc/88/93/07/536889307.db2.gz FAPCDYIQKUOGQM-UHFFFAOYSA-N 2 2 345.443 2.089 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000738111182 577999736 /nfs/dbraw/zinc/99/97/36/577999736.db2.gz ZFHRSWGGXHPXCW-UHFFFAOYSA-N 2 2 339.399 2.314 10 0 EEAELP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000775392554 577436554 /nfs/dbraw/zinc/43/65/54/577436554.db2.gz JPFYAIDLUVDUFK-IIAWOOMASA-N 2 2 342.530 2.298 10 0 EEAELP COC(=O)C[C@@]1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCOC1 ZINC000770676158 577601506 /nfs/dbraw/zinc/60/15/06/577601506.db2.gz HQDSQXNQKRJASV-INIZCTEOSA-N 2 2 335.429 2.136 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000739875187 578071042 /nfs/dbraw/zinc/07/10/42/578071042.db2.gz IFWNPIATLVYCSW-HNNXBMFYSA-N 2 2 342.443 2.198 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000739875187 578071043 /nfs/dbraw/zinc/07/10/43/578071043.db2.gz IFWNPIATLVYCSW-HNNXBMFYSA-N 2 2 342.443 2.198 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000176075615 676849458 /nfs/dbraw/zinc/84/94/58/676849458.db2.gz ITUUBVBNZLYJBI-QFBILLFUSA-N 2 2 346.475 2.425 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000176075615 676849460 /nfs/dbraw/zinc/84/94/60/676849460.db2.gz ITUUBVBNZLYJBI-QFBILLFUSA-N 2 2 346.475 2.425 10 0 EEAELP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000926255508 676859486 /nfs/dbraw/zinc/85/94/86/676859486.db2.gz XCZODALQRBJALS-HIFRSBDPSA-N 2 2 337.489 2.469 10 0 EEAELP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000926255508 676859488 /nfs/dbraw/zinc/85/94/88/676859488.db2.gz XCZODALQRBJALS-HIFRSBDPSA-N 2 2 337.489 2.469 10 0 EEAELP Cc1cccn2cc(Cc3noc(COC4CC[NH+](C)CC4)n3)[nH+]c12 ZINC000923878263 676908818 /nfs/dbraw/zinc/90/88/18/676908818.db2.gz WTWQFSCAZCSTDL-UHFFFAOYSA-N 2 2 341.415 2.227 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C1N=NC(=O)N1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895175865 684217393 /nfs/dbraw/zinc/21/73/93/684217393.db2.gz OQVPEYDHBSJJKP-IJEWVQPXSA-N 2 2 329.448 2.082 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C1N=NC(=O)N1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895175865 684217396 /nfs/dbraw/zinc/21/73/96/684217396.db2.gz OQVPEYDHBSJJKP-IJEWVQPXSA-N 2 2 329.448 2.082 10 0 EEAELP C[NH+](C)Cc1ccc(C[N@@H+]2CCC3(COC3)C2)c2c1OC(F)(F)O2 ZINC000895333696 684503403 /nfs/dbraw/zinc/50/34/03/684503403.db2.gz DGSBXNDWSIARHS-UHFFFAOYSA-N 2 2 340.370 2.292 10 0 EEAELP C[NH+](C)Cc1ccc(C[N@H+]2CCC3(COC3)C2)c2c1OC(F)(F)O2 ZINC000895333696 684503406 /nfs/dbraw/zinc/50/34/06/684503406.db2.gz DGSBXNDWSIARHS-UHFFFAOYSA-N 2 2 340.370 2.292 10 0 EEAELP COc1cccc([C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)[NH+](C)C)c1 ZINC000895462552 684609697 /nfs/dbraw/zinc/60/96/97/684609697.db2.gz YWRXPWUGJGLLTQ-KRWDZBQOSA-N 2 2 344.459 2.354 10 0 EEAELP CN(C(=O)C[C@@H]1CCC2(CCC2)O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989808 686037951 /nfs/dbraw/zinc/03/79/51/686037951.db2.gz WFWRKIWJALRDFR-MSOLQXFVSA-N 2 2 349.519 2.105 10 0 EEAELP CN(C(=O)C[C@@H]1CCC2(CCC2)O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989808 686037954 /nfs/dbraw/zinc/03/79/54/686037954.db2.gz WFWRKIWJALRDFR-MSOLQXFVSA-N 2 2 349.519 2.105 10 0 EEAELP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000897729496 691772265 /nfs/dbraw/zinc/77/22/65/691772265.db2.gz BOZSRLDXSLCBMZ-QAPCUYQASA-N 2 2 342.443 2.062 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccccc2OC(F)(F)F)CC1 ZINC000905293859 694589368 /nfs/dbraw/zinc/58/93/68/694589368.db2.gz NLSDYPYFFJFPOY-UHFFFAOYSA-N 2 2 346.353 2.130 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+](C)Cc1c(C)noc1C ZINC001480865917 1176139827 /nfs/dbraw/zinc/13/98/27/1176139827.db2.gz PXXJGXNIKBKACU-CYBMUJFWSA-N 2 2 347.463 2.250 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](C)Cc1c(C)noc1C ZINC001480865917 1176139834 /nfs/dbraw/zinc/13/98/34/1176139834.db2.gz PXXJGXNIKBKACU-CYBMUJFWSA-N 2 2 347.463 2.250 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001671319417 1176455924 /nfs/dbraw/zinc/45/59/24/1176455924.db2.gz YUJLMCIDWLDPLW-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001670657584 1176976368 /nfs/dbraw/zinc/97/63/68/1176976368.db2.gz YLPJKYUVUXAIQI-HNNXBMFYSA-N 2 2 330.432 2.182 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001670657584 1176976373 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2.209 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC001267171208 1178398317 /nfs/dbraw/zinc/39/83/17/1178398317.db2.gz XMOJDRYJURPORR-MRXNPFEDSA-N 2 2 347.488 2.209 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001267220736 1178528938 /nfs/dbraw/zinc/52/89/38/1178528938.db2.gz FDWMFSVBTHRYHZ-AWEZNQCLSA-N 2 2 339.443 2.318 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001267220736 1178528941 /nfs/dbraw/zinc/52/89/41/1178528941.db2.gz FDWMFSVBTHRYHZ-AWEZNQCLSA-N 2 2 339.443 2.318 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001267220736 1178528951 /nfs/dbraw/zinc/52/89/51/1178528951.db2.gz FDWMFSVBTHRYHZ-AWEZNQCLSA-N 2 2 339.443 2.318 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001267220736 1178528954 /nfs/dbraw/zinc/52/89/54/1178528954.db2.gz FDWMFSVBTHRYHZ-AWEZNQCLSA-N 2 2 339.443 2.318 10 0 EEAELP CN(CC[NH2+]CCOc1ccccc1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267391401 1178958114 /nfs/dbraw/zinc/95/81/14/1178958114.db2.gz VDZNJEVWBPCAAN-UHFFFAOYSA-N 2 2 338.411 2.304 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CC1CCCC1 ZINC001481140534 1179904492 /nfs/dbraw/zinc/90/44/92/1179904492.db2.gz QQQJFJNZKWMJBE-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CC1CCCC1 ZINC001481140534 1179904496 /nfs/dbraw/zinc/90/44/96/1179904496.db2.gz QQQJFJNZKWMJBE-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268070802 1181668420 /nfs/dbraw/zinc/66/84/20/1181668420.db2.gz JSGTZJNBZIXNJX-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)NC1C[NH+](CCCOc2ccccc2)C1 ZINC001481561808 1181720963 /nfs/dbraw/zinc/72/09/63/1181720963.db2.gz KRRSROOUNQZMDB-IBGZPJMESA-N 2 2 345.487 2.130 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](C)[C@@H]3C[NH2+]CCF)ccn12 ZINC001268187731 1181976988 /nfs/dbraw/zinc/97/69/88/1181976988.db2.gz ULXTWWARNYGLBD-CJNGLKHVSA-N 2 2 332.423 2.443 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001268255729 1182087598 /nfs/dbraw/zinc/08/75/98/1182087598.db2.gz LGRXUEWMIQVTAR-LBPRGKRZSA-N 2 2 347.290 2.235 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001268255729 1182087605 /nfs/dbraw/zinc/08/76/05/1182087605.db2.gz LGRXUEWMIQVTAR-LBPRGKRZSA-N 2 2 347.290 2.235 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268368474 1182352609 /nfs/dbraw/zinc/35/26/09/1182352609.db2.gz HIKVDUHSWAQBSE-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268368474 1182352636 /nfs/dbraw/zinc/35/26/36/1182352636.db2.gz HIKVDUHSWAQBSE-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@H](CC[NH2+]Cc1sccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001268431580 1182603875 /nfs/dbraw/zinc/60/38/75/1182603875.db2.gz NICONIPUZAFOLV-LLVKDONJSA-N 2 2 326.853 2.283 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001268486533 1182960574 /nfs/dbraw/zinc/96/05/74/1182960574.db2.gz CMISIDNUHRRXAK-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)F)CC1)[NH+](C)C ZINC001482026578 1183154806 /nfs/dbraw/zinc/15/48/06/1183154806.db2.gz MUJDEIQPQJEAEE-SRVKXCTJSA-N 2 2 341.393 2.244 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1=CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001268559567 1183254684 /nfs/dbraw/zinc/25/46/84/1183254684.db2.gz FPNGISUDKCRVEN-BDUNBXCCSA-N 2 2 328.460 2.208 10 0 EEAELP CC[C@@H](F)C[NH2+]C[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001482152035 1183471220 /nfs/dbraw/zinc/47/12/20/1183471220.db2.gz QVFVYRSRAHCPFR-UKRRQHHQSA-N 2 2 334.439 2.275 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001268656619 1183585553 /nfs/dbraw/zinc/58/55/53/1183585553.db2.gz QJGQWXZNIHTTDL-AEFFLSMTSA-N 2 2 340.471 2.488 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)CCn1cc[nH+]c1 ZINC001268740913 1183662082 /nfs/dbraw/zinc/66/20/82/1183662082.db2.gz MFOLDRGZPWNDTR-HNNXBMFYSA-N 2 2 339.443 2.391 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268777534 1183694938 /nfs/dbraw/zinc/69/49/38/1183694938.db2.gz ZVKUCPJITIQKQV-OCCSQVGLSA-N 2 2 346.397 2.180 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](CCOCC2CCC2)C1)n1cc[nH+]c1 ZINC001269282266 1184135517 /nfs/dbraw/zinc/13/55/17/1184135517.db2.gz YTFHGNFQPIKGQK-FUHWJXTLSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CCOCC2CCC2)C1)n1cc[nH+]c1 ZINC001269282266 1184135520 /nfs/dbraw/zinc/13/55/20/1184135520.db2.gz YTFHGNFQPIKGQK-FUHWJXTLSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@H](CC(=O)N1CCC(CC[NH2+]C[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001269914219 1184714307 /nfs/dbraw/zinc/71/43/07/1184714307.db2.gz UZDPEPGELGSJRP-AEFFLSMTSA-N 2 2 348.491 2.089 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001270078479 1184830298 /nfs/dbraw/zinc/83/02/98/1184830298.db2.gz ZJJHBJAAZWVMHI-FVQBIDKESA-N 2 2 344.484 2.398 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001270078479 1184830303 /nfs/dbraw/zinc/83/03/03/1184830303.db2.gz ZJJHBJAAZWVMHI-FVQBIDKESA-N 2 2 344.484 2.398 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@]2(C)CC[N@H+](CCCCCF)C2)no1 ZINC001270599939 1185194265 /nfs/dbraw/zinc/19/42/65/1185194265.db2.gz QHFXWGFTRPFUAB-QGZVFWFLSA-N 2 2 340.443 2.070 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@]2(C)CC[N@@H+](CCCCCF)C2)no1 ZINC001270599939 1185194268 /nfs/dbraw/zinc/19/42/68/1185194268.db2.gz QHFXWGFTRPFUAB-QGZVFWFLSA-N 2 2 340.443 2.070 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1F)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372479 1185539801 /nfs/dbraw/zinc/53/98/01/1185539801.db2.gz DFJLXGAQZUPNJQ-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)s1 ZINC001482454916 1185867039 /nfs/dbraw/zinc/86/70/39/1185867039.db2.gz GFGIJGSMLSSNGK-OAHLLOKOSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)c(C)o1 ZINC001271618942 1186338090 /nfs/dbraw/zinc/33/80/90/1186338090.db2.gz TVYZMZZDFDBVNE-MRXNPFEDSA-N 2 2 345.447 2.049 10 0 EEAELP CC/C(C)=C/C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001271911324 1186613061 /nfs/dbraw/zinc/61/30/61/1186613061.db2.gz DVWLUSJOHBPVNK-BMTFJSAJSA-N 2 2 337.508 2.080 10 0 EEAELP CN(CC[N@H+](C)Cc1sccc1Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001482642929 1187474360 /nfs/dbraw/zinc/47/43/60/1187474360.db2.gz YSQODUPKBPJDND-UHFFFAOYSA-N 2 2 341.908 2.388 10 0 EEAELP CN(CC[N@@H+](C)Cc1sccc1Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001482642929 1187474361 /nfs/dbraw/zinc/47/43/61/1187474361.db2.gz YSQODUPKBPJDND-UHFFFAOYSA-N 2 2 341.908 2.388 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)CCc2[nH+]ccn2C)c1 ZINC001483038574 1188084056 /nfs/dbraw/zinc/08/40/56/1188084056.db2.gz VOXMRTGWVKJPQE-ONEGZZNKSA-N 2 2 344.434 2.262 10 0 EEAELP C[C@H](CC(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001483064347 1188385919 /nfs/dbraw/zinc/38/59/19/1188385919.db2.gz BEEYACWUESRTJK-YWVDXFKGSA-N 2 2 326.391 2.142 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@@H](C)[NH2+]CCc1ccccc1F ZINC001409345105 1189555531 /nfs/dbraw/zinc/55/55/31/1189555531.db2.gz AYNLGZKCXDLNKG-HUUCEWRRSA-N 2 2 346.450 2.217 10 0 EEAELP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001409371765 1189592861 /nfs/dbraw/zinc/59/28/61/1189592861.db2.gz KOYAWUYSOBRMCA-KBPBESRZSA-N 2 2 346.475 2.163 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001409442942 1189684283 /nfs/dbraw/zinc/68/42/83/1189684283.db2.gz BOFZSYPMBSVWTJ-STQMWFEESA-N 2 2 328.407 2.191 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001485925987 1193642403 /nfs/dbraw/zinc/64/24/03/1193642403.db2.gz GPXLKISJFNLSTA-INIZCTEOSA-N 2 2 328.460 2.330 10 0 EEAELP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001485899908 1193644463 /nfs/dbraw/zinc/64/44/63/1193644463.db2.gz 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EEAELP CCCC[N@H+](CCOC)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001483819904 1191048328 /nfs/dbraw/zinc/04/83/28/1191048328.db2.gz HZXJHQPTFYYVOT-UHFFFAOYSA-N 2 2 336.480 2.000 10 0 EEAELP CCCC[N@@H+](CCOC)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001483819904 1191048333 /nfs/dbraw/zinc/04/83/33/1191048333.db2.gz HZXJHQPTFYYVOT-UHFFFAOYSA-N 2 2 336.480 2.000 10 0 EEAELP CC[C@H](F)C[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001483817019 1191061625 /nfs/dbraw/zinc/06/16/25/1191061625.db2.gz AOKZBAZKSDESBP-HNNXBMFYSA-N 2 2 336.455 2.403 10 0 EEAELP CC[C@H](F)C[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001483817019 1191061627 /nfs/dbraw/zinc/06/16/27/1191061627.db2.gz AOKZBAZKSDESBP-HNNXBMFYSA-N 2 2 336.455 2.403 10 0 EEAELP CC/C=C\CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001483876522 1191104328 /nfs/dbraw/zinc/10/43/28/1191104328.db2.gz WNQPCIJHMFDSEI-OGZRUICASA-N 2 2 330.476 2.253 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCOCC2CCC2)C[C@H]1C ZINC001483914456 1191114574 /nfs/dbraw/zinc/11/45/74/1191114574.db2.gz AEIINBZYULGZAD-PBHICJAKSA-N 2 2 348.491 2.046 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001691647199 1191344743 /nfs/dbraw/zinc/34/47/43/1191344743.db2.gz XWJRSBAVUYAVOU-RDJZCZTQSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CCCCCF)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001691647199 1191344744 /nfs/dbraw/zinc/34/47/44/1191344744.db2.gz XWJRSBAVUYAVOU-RDJZCZTQSA-N 2 2 336.455 2.118 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001484463470 1191367338 /nfs/dbraw/zinc/36/73/38/1191367338.db2.gz JSSFKHBJJSVEPT-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001484463470 1191367341 /nfs/dbraw/zinc/36/73/41/1191367341.db2.gz JSSFKHBJJSVEPT-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001484526770 1191395755 /nfs/dbraw/zinc/39/57/55/1191395755.db2.gz HQHSFKYAFYEFFQ-IAGOWNOFSA-N 2 2 330.476 2.240 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CCC2)o1 ZINC001484660347 1191461387 /nfs/dbraw/zinc/46/13/87/1191461387.db2.gz GOSUDAXUMCWVNW-JKSUJKDBSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1ncoc1C[N@@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001484748757 1191505739 /nfs/dbraw/zinc/50/57/39/1191505739.db2.gz ZCJGPYKRPMEDJR-UHFFFAOYSA-N 2 2 341.415 2.453 10 0 EEAELP Cc1ncoc1C[N@H+](C)CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001484748757 1191505740 /nfs/dbraw/zinc/50/57/40/1191505740.db2.gz ZCJGPYKRPMEDJR-UHFFFAOYSA-N 2 2 341.415 2.453 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001484935903 1191579891 /nfs/dbraw/zinc/57/98/91/1191579891.db2.gz BSVPOPHJLBHZMK-KRWDZBQOSA-N 2 2 344.459 2.430 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001484935903 1191579892 /nfs/dbraw/zinc/57/98/92/1191579892.db2.gz BSVPOPHJLBHZMK-KRWDZBQOSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C)sn1 ZINC001484978735 1191605956 /nfs/dbraw/zinc/60/59/56/1191605956.db2.gz WDJLCMWTTJCJMA-LSDHHAIUSA-N 2 2 347.488 2.207 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C)sn1 ZINC001484978735 1191605957 /nfs/dbraw/zinc/60/59/57/1191605957.db2.gz WDJLCMWTTJCJMA-LSDHHAIUSA-N 2 2 347.488 2.207 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CCC[NH+]2CCC3)o1 ZINC001485166179 1191676427 /nfs/dbraw/zinc/67/64/27/1191676427.db2.gz NSBAZPDVRSHOEB-GJZGRUSLSA-N 2 2 348.491 2.409 10 0 EEAELP COc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001485355998 1191760942 /nfs/dbraw/zinc/76/09/42/1191760942.db2.gz KOGACHGJBRZVAE-HOTGVXAUSA-N 2 2 344.459 2.480 10 0 EEAELP COc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001485355998 1191760943 /nfs/dbraw/zinc/76/09/43/1191760943.db2.gz KOGACHGJBRZVAE-HOTGVXAUSA-N 2 2 344.459 2.480 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(F)(F)F)[C@H]2C1 ZINC001486167444 1193709654 /nfs/dbraw/zinc/70/96/54/1193709654.db2.gz PXPRWWNHYGIUME-MELADBBJSA-N 2 2 344.381 2.052 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001486178944 1193717252 /nfs/dbraw/zinc/71/72/52/1193717252.db2.gz WOCHDTFDXVHLSQ-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP COCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001486178944 1193717254 /nfs/dbraw/zinc/71/72/54/1193717254.db2.gz WOCHDTFDXVHLSQ-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]CCC(F)(F)F ZINC001486238751 1193765342 /nfs/dbraw/zinc/76/53/42/1193765342.db2.gz RUIKVWXSHBYURZ-LBPRGKRZSA-N 2 2 332.370 2.052 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](Cc2ccsc2)CC1 ZINC001486449082 1193963633 /nfs/dbraw/zinc/96/36/33/1193963633.db2.gz NAIIRMCQOSUQHY-ZDUSSCGKSA-N 2 2 332.473 2.431 10 0 EEAELP COC[C@H](C)[NH+]1CCC(C2(NC(=O)CCCn3cc[nH+]c3)CC2)CC1 ZINC001486490585 1194003075 /nfs/dbraw/zinc/00/30/75/1194003075.db2.gz WMAHQUZTZHRQJU-INIZCTEOSA-N 2 2 348.491 2.059 10 0 EEAELP CC(C)(O)C[N@@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000872218638 1198093171 /nfs/dbraw/zinc/09/31/71/1198093171.db2.gz RCKNIGDOIKAYLO-HNNXBMFYSA-N 2 2 339.867 2.103 10 0 EEAELP CC(C)(O)C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000872218638 1198093175 /nfs/dbraw/zinc/09/31/75/1198093175.db2.gz RCKNIGDOIKAYLO-HNNXBMFYSA-N 2 2 339.867 2.103 10 0 EEAELP COc1cc(C)cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000865799513 1198379775 /nfs/dbraw/zinc/37/97/75/1198379775.db2.gz PHIRYCGGWGDTNN-UHFFFAOYSA-N 2 2 347.503 2.410 10 0 EEAELP COc1cc(C)cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000865799513 1198379781 /nfs/dbraw/zinc/37/97/81/1198379781.db2.gz PHIRYCGGWGDTNN-UHFFFAOYSA-N 2 2 347.503 2.410 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]Cc1cncc(F)c1)NC(=O)CCn1cc[nH+]c1 ZINC001411214756 1198925134 /nfs/dbraw/zinc/92/51/34/1198925134.db2.gz NIYMGKVPVYCCJF-INIZCTEOSA-N 2 2 347.438 2.128 10 0 EEAELP C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001411251437 1198975682 /nfs/dbraw/zinc/97/56/82/1198975682.db2.gz JGPPNROWDKHNJV-OAHLLOKOSA-N 2 2 336.455 2.382 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@]3(CCO)CCOC3)CC2)cc1 ZINC000125678855 1199437960 /nfs/dbraw/zinc/43/79/60/1199437960.db2.gz NZDNRCSQOFQYDZ-FQEVSTJZSA-N 2 2 347.503 2.100 10 0 EEAELP CN(C(=O)N[C@@H]1CCCC[C@@H]1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876004938 1199469629 /nfs/dbraw/zinc/46/96/29/1199469629.db2.gz VJJWGEPZBCVYSX-YESZJQIVSA-N 2 2 340.487 2.077 10 0 EEAELP CN(C(=O)N[C@@H]1CCCC[C@@H]1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876004938 1199469632 /nfs/dbraw/zinc/46/96/32/1199469632.db2.gz VJJWGEPZBCVYSX-YESZJQIVSA-N 2 2 340.487 2.077 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H]([NH3+])CC3)CC2)s1 ZINC000870891194 1200934699 /nfs/dbraw/zinc/93/46/99/1200934699.db2.gz VBHQHZOMYJXLIX-SHTZXODSSA-N 2 2 335.517 2.472 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1C ZINC000866411619 1201510248 /nfs/dbraw/zinc/51/02/48/1201510248.db2.gz QWKZXBVMCICKFO-RDJZCZTQSA-N 2 2 347.503 2.455 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1C ZINC000866411619 1201510252 /nfs/dbraw/zinc/51/02/52/1201510252.db2.gz QWKZXBVMCICKFO-RDJZCZTQSA-N 2 2 347.503 2.455 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001274279798 1204984377 /nfs/dbraw/zinc/98/43/77/1204984377.db2.gz JFLNYRILXYQYOC-GXTWGEPZSA-N 2 2 346.397 2.132 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)s1 ZINC001274537340 1205071956 /nfs/dbraw/zinc/07/19/56/1205071956.db2.gz ZZBDIEQTOMRXBG-NSCUHMNNSA-N 2 2 338.864 2.438 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC/C=C/C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001274578970 1205086139 /nfs/dbraw/zinc/08/61/39/1205086139.db2.gz QPPYMSRYFHRIQE-OOPCZODUSA-N 2 2 348.397 2.493 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](C)[NH2+]CCOCC3CC3)ccn12 ZINC001275402586 1205341165 /nfs/dbraw/zinc/34/11/65/1205341165.db2.gz AIMBMEXDXHWUIN-LSDHHAIUSA-N 2 2 344.459 2.166 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)c1cccc2[nH+]ccn21 ZINC001276128676 1205790898 /nfs/dbraw/zinc/79/08/98/1205790898.db2.gz SGLFWPIFIPKVOR-UHFFFAOYSA-N 2 2 341.390 2.120 10 0 EEAELP CC(C)[C@@H](CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCCO ZINC001276130320 1205792376 /nfs/dbraw/zinc/79/23/76/1205792376.db2.gz VJBGVMQYUZTDQY-OAHLLOKOSA-N 2 2 332.448 2.022 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COc1cccc(C(F)(F)F)c1 ZINC000925568174 1206129435 /nfs/dbraw/zinc/12/94/35/1206129435.db2.gz MZTQHUZPDHOBIC-UKRRQHHQSA-N 2 2 344.377 2.319 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COc1cccc(C(F)(F)F)c1 ZINC000925568170 1206129683 /nfs/dbraw/zinc/12/96/83/1206129683.db2.gz MZTQHUZPDHOBIC-DZGCQCFKSA-N 2 2 344.377 2.319 10 0 EEAELP CC1(C)[C@@H]([NH2+]Cc2ccncc2OC[C@H]2CCOC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925672486 1206142592 /nfs/dbraw/zinc/14/25/92/1206142592.db2.gz JGLIDDJEEFHVMV-FXECBMLZSA-N 2 2 345.487 2.363 10 0 EEAELP CC[C@@H](C)n1ncc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1C1CC1 ZINC000926086407 1206189993 /nfs/dbraw/zinc/18/99/93/1206189993.db2.gz YMWPCQPAJNBZSY-CYBMUJFWSA-N 2 2 348.495 2.276 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)C2(C[NH+](C)C)CCCCC2)n1 ZINC000927768284 1206300316 /nfs/dbraw/zinc/30/03/16/1206300316.db2.gz INYQBHYDRDAPGC-UHFFFAOYSA-N 2 2 338.521 2.333 10 0 EEAELP O[C@H](CC[C@H](O)c1ccccc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803219 1206503695 /nfs/dbraw/zinc/50/36/95/1206503695.db2.gz FGQVSESXPHFARV-MSOLQXFVSA-N 2 2 329.444 2.464 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@@H](O)COc3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC000931319880 1206624455 /nfs/dbraw/zinc/62/44/55/1206624455.db2.gz ZZRNRAPSUGATRT-AHRSYUTCSA-N 2 2 343.471 2.181 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+](C[C@@H](O)COc3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC000931319880 1206624457 /nfs/dbraw/zinc/62/44/57/1206624457.db2.gz ZZRNRAPSUGATRT-AHRSYUTCSA-N 2 2 343.471 2.181 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+](C[C@@H](O)COc3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC000931319880 1206624458 /nfs/dbraw/zinc/62/44/58/1206624458.db2.gz ZZRNRAPSUGATRT-AHRSYUTCSA-N 2 2 343.471 2.181 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@@H](O)COc3ccc4cc[nH]c4c3)C[C@]2(C)C1 ZINC000931319880 1206624459 /nfs/dbraw/zinc/62/44/59/1206624459.db2.gz ZZRNRAPSUGATRT-AHRSYUTCSA-N 2 2 343.471 2.181 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934622245 1207992463 /nfs/dbraw/zinc/99/24/63/1207992463.db2.gz SPQHMSYELDUHII-IXDOHACOSA-N 2 2 328.460 2.063 10 0 EEAELP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900693574 1234668605 /nfs/dbraw/zinc/66/86/05/1234668605.db2.gz XCPNWHSVLXOQOZ-SFHVURJKSA-N 2 2 343.475 2.311 10 0 EEAELP CCCn1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)nn1 ZINC000902948699 1239165220 /nfs/dbraw/zinc/16/52/20/1239165220.db2.gz VFVQNYRBEOUCQD-YJBOKZPZSA-N 2 2 343.475 2.106 10 0 EEAELP CCCn1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)nn1 ZINC000902948699 1239165225 /nfs/dbraw/zinc/16/52/25/1239165225.db2.gz VFVQNYRBEOUCQD-YJBOKZPZSA-N 2 2 343.475 2.106 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903799070 1242008724 /nfs/dbraw/zinc/00/87/24/1242008724.db2.gz QARWQMQWCQOUGP-LPHOPBHVSA-N 2 2 329.444 2.421 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903799070 1242008738 /nfs/dbraw/zinc/00/87/38/1242008738.db2.gz QARWQMQWCQOUGP-LPHOPBHVSA-N 2 2 329.444 2.421 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001491234898 1258821554 /nfs/dbraw/zinc/82/15/54/1258821554.db2.gz OGYRQLSOKHUWIZ-IAGOWNOFSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC001491234898 1258821565 /nfs/dbraw/zinc/82/15/65/1258821565.db2.gz OGYRQLSOKHUWIZ-IAGOWNOFSA-N 2 2 348.491 2.048 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001491253109 1258847932 /nfs/dbraw/zinc/84/79/32/1258847932.db2.gz JOYWXVQMSFPTKR-SJLPKXTDSA-N 2 2 332.492 2.462 10 0 EEAELP CCc1onc(C)c1C[NH2+][C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001491506869 1259157640 /nfs/dbraw/zinc/15/76/40/1259157640.db2.gz UYXKVAUGKCPKMZ-NSHDSACASA-N 2 2 341.415 2.330 10 0 EEAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n(C)n1 ZINC000850554373 1277266354 /nfs/dbraw/zinc/26/63/54/1277266354.db2.gz CUTLYCMIPAJZOX-HQRMLTQVSA-N 2 2 346.519 2.283 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277884087 1305015615 /nfs/dbraw/zinc/01/56/15/1305015615.db2.gz WFNCARAPOMODMX-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)sc1C ZINC001490393084 1291283672 /nfs/dbraw/zinc/28/36/72/1291283672.db2.gz LESDECZGKQICOT-UHFFFAOYSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1nc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)sc1C ZINC001490393084 1291283679 /nfs/dbraw/zinc/28/36/79/1291283679.db2.gz LESDECZGKQICOT-UHFFFAOYSA-N 2 2 347.488 2.127 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH2+]CC=C(Cl)Cl)C1CC1 ZINC001490725660 1291610577 /nfs/dbraw/zinc/61/05/77/1291610577.db2.gz ZUMGRKJHDGPACK-GWCFXTLKSA-N 2 2 345.274 2.392 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852008912 1291951644 /nfs/dbraw/zinc/95/16/44/1291951644.db2.gz JTGWYCMVQYDZRE-MJGOQNOKSA-N 2 2 336.451 2.354 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852008912 1291951647 /nfs/dbraw/zinc/95/16/47/1291951647.db2.gz JTGWYCMVQYDZRE-MJGOQNOKSA-N 2 2 336.451 2.354 10 0 EEAELP O=C(C=C1CC[NH2+]CC1)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000852865883 1292220563 /nfs/dbraw/zinc/22/05/63/1292220563.db2.gz BJDMGGWUAVHRAZ-UHFFFAOYSA-N 2 2 328.460 2.388 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C)n(C)n3)C2)ccn1 ZINC000856550057 1293564242 /nfs/dbraw/zinc/56/42/42/1293564242.db2.gz WEEWWUUUPDXTQJ-IBGZPJMESA-N 2 2 343.475 2.229 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc(C)n(C)n3)C2)ccn1 ZINC000856550057 1293564247 /nfs/dbraw/zinc/56/42/47/1293564247.db2.gz WEEWWUUUPDXTQJ-IBGZPJMESA-N 2 2 343.475 2.229 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)C2)ccn1 ZINC000856550057 1293564251 /nfs/dbraw/zinc/56/42/51/1293564251.db2.gz WEEWWUUUPDXTQJ-IBGZPJMESA-N 2 2 343.475 2.229 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)C2)ccn1 ZINC000856550057 1293564256 /nfs/dbraw/zinc/56/42/56/1293564256.db2.gz WEEWWUUUPDXTQJ-IBGZPJMESA-N 2 2 343.475 2.229 10 0 EEAELP Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(Cl)n1 ZINC000856771497 1293627891 /nfs/dbraw/zinc/62/78/91/1293627891.db2.gz GSFAWALFFKINFO-UHFFFAOYSA-N 2 2 348.878 2.320 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(C)c[nH]3)C2)ccn1 ZINC000862422799 1295843531 /nfs/dbraw/zinc/84/35/31/1295843531.db2.gz KIKGEPRLRDUGSJ-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(C)c[nH]3)C2)ccn1 ZINC000862422799 1295843536 /nfs/dbraw/zinc/84/35/36/1295843536.db2.gz KIKGEPRLRDUGSJ-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc(C)c[nH]3)C2)ccn1 ZINC000862422799 1295843543 /nfs/dbraw/zinc/84/35/43/1295843543.db2.gz KIKGEPRLRDUGSJ-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc(C)c[nH]3)C2)ccn1 ZINC000862422799 1295843550 /nfs/dbraw/zinc/84/35/50/1295843550.db2.gz KIKGEPRLRDUGSJ-QGZVFWFLSA-N 2 2 329.448 2.218 10 0 EEAELP Cc1cccnc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001277210926 1301837533 /nfs/dbraw/zinc/83/75/33/1301837533.db2.gz RUUKEPPDEIXGBK-BZUAXINKSA-N 2 2 341.459 2.291 10 0 EEAELP Cc1cccnc1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001277210926 1301837540 /nfs/dbraw/zinc/83/75/40/1301837540.db2.gz RUUKEPPDEIXGBK-BZUAXINKSA-N 2 2 341.459 2.291 10 0 EEAELP O=C1CC(F)(F)CN1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000841682111 1315595358 /nfs/dbraw/zinc/59/53/58/1315595358.db2.gz DDKISKQZYRZKTC-UHFFFAOYSA-N 2 2 338.402 2.224 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC001264679500 1322780805 /nfs/dbraw/zinc/78/08/05/1322780805.db2.gz GGGNBVUULYGYRC-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCC(F)(F)C1 ZINC001265135757 1322940788 /nfs/dbraw/zinc/94/07/88/1322940788.db2.gz SJBRPNNLBOXFPD-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1CCC(F)(F)C1 ZINC001265135757 1322940791 /nfs/dbraw/zinc/94/07/91/1322940791.db2.gz SJBRPNNLBOXFPD-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CC(C)COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266102427 1323665959 /nfs/dbraw/zinc/66/59/59/1323665959.db2.gz JWULZOOBJUTEOB-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)COCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001266102427 1323665965 /nfs/dbraw/zinc/66/59/65/1323665965.db2.gz JWULZOOBJUTEOB-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)COCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001266102427 1323665973 /nfs/dbraw/zinc/66/59/73/1323665973.db2.gz JWULZOOBJUTEOB-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)COCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001266102427 1323665979 /nfs/dbraw/zinc/66/59/79/1323665979.db2.gz JWULZOOBJUTEOB-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001280208032 1324115794 /nfs/dbraw/zinc/11/57/94/1324115794.db2.gz RFPJVWAYRKDDBP-UONOGXRCSA-N 2 2 340.418 2.216 10 0 EEAELP CC/C=C/CC[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@@H+]1C)CCO2 ZINC001280900508 1324622378 /nfs/dbraw/zinc/62/23/78/1324622378.db2.gz WTMMDEDOHBZSHI-SHCNBLLESA-N 2 2 349.519 2.130 10 0 EEAELP CC/C=C/CC[NH+]1CC2(C1)CN(C(=O)CC[C@H]1CCC[N@H+]1C)CCO2 ZINC001280900508 1324622382 /nfs/dbraw/zinc/62/23/82/1324622382.db2.gz WTMMDEDOHBZSHI-SHCNBLLESA-N 2 2 349.519 2.130 10 0 EEAELP CC(C)=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001276679311 1325178692 /nfs/dbraw/zinc/17/86/92/1325178692.db2.gz UWRTXOXVXRZZRU-NNZMDNLPSA-N 2 2 342.487 2.022 10 0 EEAELP CC(C)=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001276679311 1325178699 /nfs/dbraw/zinc/17/86/99/1325178699.db2.gz UWRTXOXVXRZZRU-NNZMDNLPSA-N 2 2 342.487 2.022 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001282205003 1325651019 /nfs/dbraw/zinc/65/10/19/1325651019.db2.gz BNGCRMOOBHVPAM-HOTGVXAUSA-N 2 2 328.460 2.376 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001282205005 1325651326 /nfs/dbraw/zinc/65/13/26/1325651326.db2.gz BNGCRMOOBHVPAM-JKSUJKDBSA-N 2 2 328.460 2.376 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CCC[NH2+]C[C@@H]3CCOC3)ccn12 ZINC001283174678 1325944677 /nfs/dbraw/zinc/94/46/77/1325944677.db2.gz YQOQOMPVLFNBHY-ZBFHGGJFSA-N 2 2 344.459 2.167 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001284598712 1326624020 /nfs/dbraw/zinc/62/40/20/1326624020.db2.gz PHYCNCOKHIKVQS-HZPDHXFCSA-N 2 2 336.480 2.032 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001284598712 1326624023 /nfs/dbraw/zinc/62/40/23/1326624023.db2.gz PHYCNCOKHIKVQS-HZPDHXFCSA-N 2 2 336.480 2.032 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](C[NH2+]CCCF)C1 ZINC001491823884 1330264793 /nfs/dbraw/zinc/26/47/93/1330264793.db2.gz LHHCRBRZFDSKRC-OAHLLOKOSA-N 2 2 330.407 2.284 10 0 EEAELP C[C@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001316935097 1332000687 /nfs/dbraw/zinc/00/06/87/1332000687.db2.gz DSHKUEUKLYGDAQ-MRXNPFEDSA-N 2 2 347.507 2.192 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001317342429 1332186817 /nfs/dbraw/zinc/18/68/17/1332186817.db2.gz IOHUKWFHPLOSHQ-SFHVURJKSA-N 2 2 340.471 2.034 10 0 EEAELP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317605543 1332322459 /nfs/dbraw/zinc/32/24/59/1332322459.db2.gz IACWENATQALTKH-QGZVFWFLSA-N 2 2 340.471 2.311 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001317653399 1332350980 /nfs/dbraw/zinc/35/09/80/1332350980.db2.gz FXBBMHZBHMFUNN-GFCCVEGCSA-N 2 2 328.407 2.171 10 0 EEAELP C[C@](C[NH2+]C/C=C\Cl)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001318702622 1332580675 /nfs/dbraw/zinc/58/06/75/1332580675.db2.gz NFAIXYKONVKRBE-WTPRAEHESA-N 2 2 336.867 2.073 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)on1 ZINC001319791548 1332769580 /nfs/dbraw/zinc/76/95/80/1332769580.db2.gz MSFPZJFVQVLJTK-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001320169652 1332842401 /nfs/dbraw/zinc/84/24/01/1332842401.db2.gz MWECWKOVKPZXCB-RDJZCZTQSA-N 2 2 344.434 2.209 10 0 EEAELP CC[C@@H](C)NC(=O)C[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001320500688 1332898211 /nfs/dbraw/zinc/89/82/11/1332898211.db2.gz HQWOCJJAFIYFSI-ZIAGYGMSSA-N 2 2 348.491 2.020 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001320572450 1332913071 /nfs/dbraw/zinc/91/30/71/1332913071.db2.gz HHMYXFIOPIHTAU-NWDGAFQWSA-N 2 2 349.504 2.346 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001320572450 1332913076 /nfs/dbraw/zinc/91/30/76/1332913076.db2.gz HHMYXFIOPIHTAU-NWDGAFQWSA-N 2 2 349.504 2.346 10 0 EEAELP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)c1cccc2[nH+]ccn21 ZINC001320791060 1332953190 /nfs/dbraw/zinc/95/31/90/1332953190.db2.gz GIOXWBAUYIZROX-UHFFFAOYSA-N 2 2 341.390 2.120 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]C/C=C\CNC(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001321155392 1333032659 /nfs/dbraw/zinc/03/26/59/1333032659.db2.gz LLOJATXHETWXSI-JIYQYTEPSA-N 2 2 342.443 2.025 10 0 EEAELP CC[C@@H](C[NH2+]CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)OC ZINC001322510938 1333274058 /nfs/dbraw/zinc/27/40/58/1333274058.db2.gz CZRHQHAOHVGZFS-INIZCTEOSA-N 2 2 332.448 2.119 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001330668940 1334885038 /nfs/dbraw/zinc/88/50/38/1334885038.db2.gz ZKPBLRLDRFLATH-YFHUEUNASA-N 2 2 348.491 2.032 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001330668940 1334885041 /nfs/dbraw/zinc/88/50/41/1334885041.db2.gz ZKPBLRLDRFLATH-YFHUEUNASA-N 2 2 348.491 2.032 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]Cc1cccnc1C ZINC001330970761 1334937621 /nfs/dbraw/zinc/93/76/21/1334937621.db2.gz HPGQCTZALNZTLN-ZDUSSCGKSA-N 2 2 329.448 2.039 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001332320130 1335801163 /nfs/dbraw/zinc/80/11/63/1335801163.db2.gz FDWPHGDRBPWBPY-DLBZAZTESA-N 2 2 332.492 2.417 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)o1 ZINC001333351245 1336016752 /nfs/dbraw/zinc/01/67/52/1336016752.db2.gz SEQKBXKZRXEFDQ-HNNXBMFYSA-N 2 2 346.475 2.277 10 0 EEAELP 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342.443 2.206 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(OC)cc1 ZINC001438312472 1090790906 /nfs/dbraw/zinc/79/09/06/1090790906.db2.gz VDLUVOOIBFXVKU-DJIMGWMZSA-N 2 2 342.443 2.206 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001438349220 1090825977 /nfs/dbraw/zinc/82/59/77/1090825977.db2.gz PKCFDFDTACJKQP-XJKSGUPXSA-N 2 2 332.423 2.412 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001438349220 1090825991 /nfs/dbraw/zinc/82/59/91/1090825991.db2.gz PKCFDFDTACJKQP-XJKSGUPXSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@@H]1C[C@H](C[NH2+]CC2(NC(=O)CCc3c[nH]c[nH+]3)CCCC2)CCO1 ZINC001438387410 1090873102 /nfs/dbraw/zinc/87/31/02/1090873102.db2.gz RYQLMNPGRCMPLT-HZPDHXFCSA-N 2 2 348.491 2.176 10 0 EEAELP C[C@@H]1C[C@H](C[NH2+]CC2(NC(=O)CCc3c[nH+]c[nH]3)CCCC2)CCO1 ZINC001438387410 1090873115 /nfs/dbraw/zinc/87/31/15/1090873115.db2.gz RYQLMNPGRCMPLT-HZPDHXFCSA-N 2 2 348.491 2.176 10 0 EEAELP 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ZINC001445812468 1091686311 /nfs/dbraw/zinc/68/63/11/1091686311.db2.gz ILNIALHRYQPMGF-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[NH2+]Cc1nccs1 ZINC001439235960 1091882041 /nfs/dbraw/zinc/88/20/41/1091882041.db2.gz IDCZKPZVHOZLTC-QWHCGFSZSA-N 2 2 335.477 2.148 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1F)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001439339053 1092039699 /nfs/dbraw/zinc/03/96/99/1092039699.db2.gz MOZKWYSAGHGYBL-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1F)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001439339053 1092039709 /nfs/dbraw/zinc/03/97/09/1092039709.db2.gz MOZKWYSAGHGYBL-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](C[N@H+](C)CC[C@@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001439354473 1092067512 /nfs/dbraw/zinc/06/75/12/1092067512.db2.gz ZMGPJEGGQVQGCY-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@H](C[N@@H+](C)CC[C@@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001439354473 1092067521 /nfs/dbraw/zinc/06/75/21/1092067521.db2.gz ZMGPJEGGQVQGCY-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001439718194 1092679019 /nfs/dbraw/zinc/67/90/19/1092679019.db2.gz PKBXYJLTIDPULR-SJLPKXTDSA-N 2 2 336.455 2.336 10 0 EEAELP CC[C@@H](F)C[N@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001439718194 1092679025 /nfs/dbraw/zinc/67/90/25/1092679025.db2.gz PKBXYJLTIDPULR-SJLPKXTDSA-N 2 2 336.455 2.336 10 0 EEAELP CC[C@@H](C(=O)N(C)C1C[NH+](Cc2cccc3cccnc32)C1)[NH+](C)C ZINC001439742087 1092701357 /nfs/dbraw/zinc/70/13/57/1092701357.db2.gz AANIDDSLYGXKJH-SFHVURJKSA-N 2 2 340.471 2.218 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2nccn2C)[C@@H]1CC)[NH+](CC)CC ZINC001440449368 1093662006 /nfs/dbraw/zinc/66/20/06/1093662006.db2.gz JNDKPBSDVDTQTO-BBWFWOEESA-N 2 2 349.523 2.010 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2nccn2C)[C@@H]1CC)[NH+](CC)CC ZINC001440449368 1093662009 /nfs/dbraw/zinc/66/20/09/1093662009.db2.gz JNDKPBSDVDTQTO-BBWFWOEESA-N 2 2 349.523 2.010 10 0 EEAELP 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ZINC001440811917 1094062157 /nfs/dbraw/zinc/06/21/57/1094062157.db2.gz MMRDKAIBPVVZAF-HOTGVXAUSA-N 2 2 328.460 2.344 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC001440857725 1094118769 /nfs/dbraw/zinc/11/87/69/1094118769.db2.gz WKPDAUMZOSLNJR-QWRGUYRKSA-N 2 2 338.814 2.428 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]Cc2nccs2)CCCCC1 ZINC001441100469 1094405552 /nfs/dbraw/zinc/40/55/52/1094405552.db2.gz JNLNMLCUDWWREJ-UHFFFAOYSA-N 2 2 347.488 2.339 10 0 EEAELP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)c(C)s1 ZINC001441495754 1095176391 /nfs/dbraw/zinc/17/63/91/1095176391.db2.gz JFDYMPDVDHVWIF-IYBDPMFKSA-N 2 2 346.500 2.468 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1C ZINC001441851634 1095940802 /nfs/dbraw/zinc/94/08/02/1095940802.db2.gz COBAGYBLXCKYJY-HNNXBMFYSA-N 2 2 327.428 2.236 10 0 EEAELP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC([NH2+]C/C=C/Cl)C1 ZINC001442230344 1096529403 /nfs/dbraw/zinc/52/94/03/1096529403.db2.gz GTHDHKDKGWYZMU-GQCTYLIASA-N 2 2 336.867 2.093 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001442886763 1097282880 /nfs/dbraw/zinc/28/28/80/1097282880.db2.gz CCHFAJLDLWGDJQ-OLZOCXBDSA-N 2 2 332.370 2.225 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001442886763 1097282883 /nfs/dbraw/zinc/28/28/83/1097282883.db2.gz CCHFAJLDLWGDJQ-OLZOCXBDSA-N 2 2 332.370 2.225 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC001442898937 1097299647 /nfs/dbraw/zinc/29/96/47/1097299647.db2.gz BUZPREGETBQNCS-HNNXBMFYSA-N 2 2 344.434 2.346 10 0 EEAELP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1c(C)nsc1C ZINC001443926951 1098447661 /nfs/dbraw/zinc/44/76/61/1098447661.db2.gz HROAQTNLOJVODU-CYBMUJFWSA-N 2 2 335.477 2.100 10 0 EEAELP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1c(C)nsc1C ZINC001443926951 1098447664 /nfs/dbraw/zinc/44/76/64/1098447664.db2.gz HROAQTNLOJVODU-CYBMUJFWSA-N 2 2 335.477 2.100 10 0 EEAELP 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DTJODWJNRNTYCP-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP CCC(CC)[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000359063174 282254049 /nfs/dbraw/zinc/25/40/49/282254049.db2.gz DTJODWJNRNTYCP-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)[C@H]1CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000353499510 539892742 /nfs/dbraw/zinc/89/27/42/539892742.db2.gz USLCABIIGXIVKS-SJORKVTESA-N 2 2 330.476 2.145 10 0 EEAELP CCCN(CC[NH+]1CCCCCC1)c1cc[nH+]c(N2CCOCC2)n1 ZINC000341055898 283258655 /nfs/dbraw/zinc/25/86/55/283258655.db2.gz UKNWPVZVKYQSQE-UHFFFAOYSA-N 2 2 347.507 2.406 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnn(C(C)(C)C)c2)nc[nH+]1 ZINC000071877204 202351910 /nfs/dbraw/zinc/35/19/10/202351910.db2.gz FLRFCCQZOVNHFU-HNNXBMFYSA-N 2 2 343.479 2.228 10 0 EEAELP C[N@H+](Cc1cnn2ccccc12)C1CC[NH+](CCn2cccn2)CC1 ZINC000179519468 201031522 /nfs/dbraw/zinc/03/15/22/201031522.db2.gz VBDOJFNXJVNHRX-UHFFFAOYSA-N 2 2 338.459 2.127 10 0 EEAELP C[N@@H+](Cc1cnn2ccccc12)C1CC[NH+](CCn2cccn2)CC1 ZINC000179519468 201031526 /nfs/dbraw/zinc/03/15/26/201031526.db2.gz VBDOJFNXJVNHRX-UHFFFAOYSA-N 2 2 338.459 2.127 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCO[C@@H]2CCOC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422872799 240269364 /nfs/dbraw/zinc/26/93/64/240269364.db2.gz IRMNFXFLTSUPCM-QYZOEREBSA-N 2 2 334.460 2.274 10 0 EEAELP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422889875 240276090 /nfs/dbraw/zinc/27/60/90/240276090.db2.gz HDGLIQPHTVTUGS-JVPBZIDWSA-N 2 2 345.487 2.072 10 0 EEAELP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422963296 240310852 /nfs/dbraw/zinc/31/08/52/240310852.db2.gz FMRIJYXIMLEZGR-BXUZGUMPSA-N 2 2 326.366 2.487 10 0 EEAELP Cc1cccnc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000426915414 241355540 /nfs/dbraw/zinc/35/55/40/241355540.db2.gz FXVFYRWEJAQZBG-UHFFFAOYSA-N 2 2 330.476 2.070 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459660931 245201588 /nfs/dbraw/zinc/20/15/88/245201588.db2.gz MBYOTOFMUJVSPE-UHFFFAOYSA-N 2 2 343.383 2.294 10 0 EEAELP COC(=O)c1ccc([C@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000111231132 204343926 /nfs/dbraw/zinc/34/39/26/204343926.db2.gz TYWZWTARJWIRGZ-HOTGVXAUSA-N 2 2 349.475 2.229 10 0 EEAELP COC(=O)c1ccc([C@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000111231132 204343929 /nfs/dbraw/zinc/34/39/29/204343929.db2.gz TYWZWTARJWIRGZ-HOTGVXAUSA-N 2 2 349.475 2.229 10 0 EEAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156558928 206085488 /nfs/dbraw/zinc/08/54/88/206085488.db2.gz FEEWJGOQJVPHNZ-QAPCUYQASA-N 2 2 342.443 2.091 10 0 EEAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000156558928 206085494 /nfs/dbraw/zinc/08/54/94/206085494.db2.gz FEEWJGOQJVPHNZ-QAPCUYQASA-N 2 2 342.443 2.091 10 0 EEAELP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000264308372 246330051 /nfs/dbraw/zinc/33/00/51/246330051.db2.gz SMEKTQPSYULYLU-IAGOWNOFSA-N 2 2 345.487 2.121 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000177340309 207323061 /nfs/dbraw/zinc/32/30/61/207323061.db2.gz RFSLDTXRPLCNFS-INIZCTEOSA-N 2 2 329.448 2.003 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000177340309 207323064 /nfs/dbraw/zinc/32/30/64/207323064.db2.gz RFSLDTXRPLCNFS-INIZCTEOSA-N 2 2 329.448 2.003 10 0 EEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271314016 256232149 /nfs/dbraw/zinc/23/21/49/256232149.db2.gz MSLCZUZPISJMEE-OWCLPIDISA-N 2 2 341.459 2.364 10 0 EEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271314016 256232151 /nfs/dbraw/zinc/23/21/51/256232151.db2.gz MSLCZUZPISJMEE-OWCLPIDISA-N 2 2 341.459 2.364 10 0 EEAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000273200259 256275496 /nfs/dbraw/zinc/27/54/96/256275496.db2.gz JQYSGIURMCDDAQ-INIZCTEOSA-N 2 2 330.476 2.019 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)CCO1 ZINC000111236538 142354864 /nfs/dbraw/zinc/35/48/64/142354864.db2.gz MEOLNAJJUIKEPX-HNNXBMFYSA-N 2 2 341.455 2.213 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)CCO1 ZINC000111236538 142354868 /nfs/dbraw/zinc/35/48/68/142354868.db2.gz MEOLNAJJUIKEPX-HNNXBMFYSA-N 2 2 341.455 2.213 10 0 EEAELP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1Cl ZINC000248560167 160349725 /nfs/dbraw/zinc/34/97/25/160349725.db2.gz MMUTZYKFSOVJMK-SUMWQHHRSA-N 2 2 342.842 2.167 10 0 EEAELP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1Cl ZINC000248560167 160349726 /nfs/dbraw/zinc/34/97/26/160349726.db2.gz MMUTZYKFSOVJMK-SUMWQHHRSA-N 2 2 342.842 2.167 10 0 EEAELP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000172751601 152114693 /nfs/dbraw/zinc/11/46/93/152114693.db2.gz IURYWYMAJSTMMK-UHFFFAOYSA-N 2 2 330.476 2.070 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCC1CCC1 ZINC000374320364 154050524 /nfs/dbraw/zinc/05/05/24/154050524.db2.gz IGAFUEBCTHLPAC-INIZCTEOSA-N 2 2 330.476 2.315 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCC1CCC1 ZINC000374320364 154050529 /nfs/dbraw/zinc/05/05/29/154050529.db2.gz IGAFUEBCTHLPAC-INIZCTEOSA-N 2 2 330.476 2.315 10 0 EEAELP CC1CC[NH+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000105787795 159305044 /nfs/dbraw/zinc/30/50/44/159305044.db2.gz NFLJVRFOWOMCCO-QGZVFWFLSA-N 2 2 347.507 2.362 10 0 EEAELP CC1CC[NH+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000105787795 159305045 /nfs/dbraw/zinc/30/50/45/159305045.db2.gz NFLJVRFOWOMCCO-QGZVFWFLSA-N 2 2 347.507 2.362 10 0 EEAELP CCN(CCC[NH+](C)C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000188680531 160127031 /nfs/dbraw/zinc/12/70/31/160127031.db2.gz XDEGCWXPKIJAHV-UHFFFAOYSA-N 2 2 333.480 2.034 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245440966 160235625 /nfs/dbraw/zinc/23/56/25/160235625.db2.gz VCNVRNKMWJKPPL-YOEHRIQHSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245440966 160235626 /nfs/dbraw/zinc/23/56/26/160235626.db2.gz VCNVRNKMWJKPPL-YOEHRIQHSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245440966 160235627 /nfs/dbraw/zinc/23/56/27/160235627.db2.gz VCNVRNKMWJKPPL-YOEHRIQHSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245440966 160235628 /nfs/dbraw/zinc/23/56/28/160235628.db2.gz VCNVRNKMWJKPPL-YOEHRIQHSA-N 2 2 349.475 2.304 10 0 EEAELP CCCOC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246745227 160293064 /nfs/dbraw/zinc/29/30/64/160293064.db2.gz MZBMVVWAEQPMST-JYJNAYRXSA-N 2 2 326.481 2.149 10 0 EEAELP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246859732 160298331 /nfs/dbraw/zinc/29/83/31/160298331.db2.gz CYQCXGSWWFEGHM-QRWLVFNGSA-N 2 2 341.503 2.475 10 0 EEAELP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246859732 160298332 /nfs/dbraw/zinc/29/83/32/160298332.db2.gz CYQCXGSWWFEGHM-QRWLVFNGSA-N 2 2 341.503 2.475 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247293559 160318772 /nfs/dbraw/zinc/31/87/72/160318772.db2.gz ZHGJJGYTWPIRHD-FUHWJXTLSA-N 2 2 345.487 2.070 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247293559 160318774 /nfs/dbraw/zinc/31/87/74/160318774.db2.gz ZHGJJGYTWPIRHD-FUHWJXTLSA-N 2 2 345.487 2.070 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247293559 160318777 /nfs/dbraw/zinc/31/87/77/160318777.db2.gz ZHGJJGYTWPIRHD-FUHWJXTLSA-N 2 2 345.487 2.070 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247293559 160318778 /nfs/dbraw/zinc/31/87/78/160318778.db2.gz ZHGJJGYTWPIRHD-FUHWJXTLSA-N 2 2 345.487 2.070 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC[C@H]21 ZINC000247333231 160320586 /nfs/dbraw/zinc/32/05/86/160320586.db2.gz XALLOWWAMOFREH-XJKSGUPXSA-N 2 2 346.862 2.264 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC[C@H]21 ZINC000247333231 160320587 /nfs/dbraw/zinc/32/05/87/160320587.db2.gz XALLOWWAMOFREH-XJKSGUPXSA-N 2 2 346.862 2.264 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC[C@H]21 ZINC000247333231 160320588 /nfs/dbraw/zinc/32/05/88/160320588.db2.gz XALLOWWAMOFREH-XJKSGUPXSA-N 2 2 346.862 2.264 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)CC[C@H]21 ZINC000247333231 160320589 /nfs/dbraw/zinc/32/05/89/160320589.db2.gz XALLOWWAMOFREH-XJKSGUPXSA-N 2 2 346.862 2.264 10 0 EEAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCCCc1ccccc1 ZINC000342597622 161076743 /nfs/dbraw/zinc/07/67/43/161076743.db2.gz IJPVXLBWVMVZJZ-UHFFFAOYSA-N 2 2 326.444 2.338 10 0 EEAELP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000342810341 161092598 /nfs/dbraw/zinc/09/25/98/161092598.db2.gz XRGJCKWPADAULO-UONOGXRCSA-N 2 2 340.430 2.151 10 0 EEAELP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000343298175 161121632 /nfs/dbraw/zinc/12/16/32/161121632.db2.gz DSWAMIHPMVMVLJ-AQNXPRMDSA-N 2 2 329.488 2.056 10 0 EEAELP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000343298175 161121633 /nfs/dbraw/zinc/12/16/33/161121633.db2.gz DSWAMIHPMVMVLJ-AQNXPRMDSA-N 2 2 329.488 2.056 10 0 EEAELP CN(CC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343298175 161121634 /nfs/dbraw/zinc/12/16/34/161121634.db2.gz DSWAMIHPMVMVLJ-AQNXPRMDSA-N 2 2 329.488 2.056 10 0 EEAELP CN(CC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000343298175 161121635 /nfs/dbraw/zinc/12/16/35/161121635.db2.gz DSWAMIHPMVMVLJ-AQNXPRMDSA-N 2 2 329.488 2.056 10 0 EEAELP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000343893909 161178412 /nfs/dbraw/zinc/17/84/12/161178412.db2.gz JOTYQHHQAGKPSJ-JXFKEZNVSA-N 3 2 331.504 2.447 10 0 EEAELP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000343893909 161178413 /nfs/dbraw/zinc/17/84/13/161178413.db2.gz JOTYQHHQAGKPSJ-JXFKEZNVSA-N 3 2 331.504 2.447 10 0 EEAELP CSc1nnc(CCC[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)n1CC(C)C ZINC000344396317 161223318 /nfs/dbraw/zinc/22/33/18/161223318.db2.gz WYIUKTKKFKTMSD-KBPBESRZSA-N 2 2 325.526 2.128 10 0 EEAELP CSc1nnc(CCC[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)n1CC(C)C ZINC000344396317 161223319 /nfs/dbraw/zinc/22/33/19/161223319.db2.gz WYIUKTKKFKTMSD-KBPBESRZSA-N 2 2 325.526 2.128 10 0 EEAELP CCc1cc(CCC[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)on1 ZINC000347733353 161477917 /nfs/dbraw/zinc/47/79/17/161477917.db2.gz CAMIYMHFUIAKPN-UHFFFAOYSA-N 2 2 330.432 2.395 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352376583 162111339 /nfs/dbraw/zinc/11/13/39/162111339.db2.gz RXRWPESHRYHPRJ-KRWDZBQOSA-N 2 2 328.460 2.288 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352376583 162111341 /nfs/dbraw/zinc/11/13/41/162111341.db2.gz RXRWPESHRYHPRJ-KRWDZBQOSA-N 2 2 328.460 2.288 10 0 EEAELP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000355752939 163289774 /nfs/dbraw/zinc/28/97/74/163289774.db2.gz XTYBCRXKRPOYDE-BRWVUGGUSA-N 2 2 333.476 2.290 10 0 EEAELP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000355752939 163289777 /nfs/dbraw/zinc/28/97/77/163289777.db2.gz XTYBCRXKRPOYDE-BRWVUGGUSA-N 2 2 333.476 2.290 10 0 EEAELP COc1c[nH+]ccc1N1CCN(c2cc(NCC3CC3)[nH+]cn2)CC1 ZINC000360258630 164270121 /nfs/dbraw/zinc/27/01/21/164270121.db2.gz PXOIEOBJUXZFLB-UHFFFAOYSA-N 2 2 340.431 2.029 10 0 EEAELP COc1c[nH+]ccc1N1CCN(c2cc(NCC3CC3)nc[nH+]2)CC1 ZINC000360258630 164270124 /nfs/dbraw/zinc/27/01/24/164270124.db2.gz PXOIEOBJUXZFLB-UHFFFAOYSA-N 2 2 340.431 2.029 10 0 EEAELP COc1cc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(OC)c1 ZINC000123612268 222306136 /nfs/dbraw/zinc/30/61/36/222306136.db2.gz BFUPUVBXJGDTDL-UKRRQHHQSA-N 2 2 335.448 2.057 10 0 EEAELP COc1cc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(OC)c1 ZINC000123612268 222306140 /nfs/dbraw/zinc/30/61/40/222306140.db2.gz BFUPUVBXJGDTDL-UKRRQHHQSA-N 2 2 335.448 2.057 10 0 EEAELP COc1cc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000123612268 222306142 /nfs/dbraw/zinc/30/61/42/222306142.db2.gz BFUPUVBXJGDTDL-UKRRQHHQSA-N 2 2 335.448 2.057 10 0 EEAELP COc1cc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000123612268 222306145 /nfs/dbraw/zinc/30/61/45/222306145.db2.gz BFUPUVBXJGDTDL-UKRRQHHQSA-N 2 2 335.448 2.057 10 0 EEAELP Cc1cc(CNC(=O)c2c[nH+]ccc2N(C)C)cc(N2CCCC2)[nH+]1 ZINC000290548596 275217190 /nfs/dbraw/zinc/21/71/90/275217190.db2.gz MHOWVLTYUKPCHH-UHFFFAOYSA-N 2 2 339.443 2.381 10 0 EEAELP CC1CC[NH+](CCC[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000311917741 281808896 /nfs/dbraw/zinc/80/88/96/281808896.db2.gz DJFUEOILCMLHCY-UHFFFAOYSA-N 2 2 329.286 2.394 10 0 EEAELP C[NH+](C)CCCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000264862516 289110528 /nfs/dbraw/zinc/11/05/28/289110528.db2.gz FGDPOLADOBYRLS-QGZVFWFLSA-N 2 2 335.517 2.235 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000297997238 294392757 /nfs/dbraw/zinc/39/27/57/294392757.db2.gz NTDQYJDZIHLNLI-PBHICJAKSA-N 2 2 329.448 2.394 10 0 EEAELP c1nn(-c2ccccc2)c2nc[nH+]c(N3CC[C@H]4C[NH2+]C[C@H]4CC3)c12 ZINC000327922841 311605540 /nfs/dbraw/zinc/60/55/40/311605540.db2.gz SXGVAZVLHQPANL-GASCZTMLSA-N 2 2 334.427 2.251 10 0 EEAELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCCC[NH2+]C1 ZINC000333158072 312102711 /nfs/dbraw/zinc/10/27/11/312102711.db2.gz NIQBSDFAMAIGGW-ZDUSSCGKSA-N 2 2 337.493 2.393 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333694478 312184012 /nfs/dbraw/zinc/18/40/12/312184012.db2.gz QBOGMMRMYLGOHH-PBHICJAKSA-N 2 2 345.491 2.106 10 0 EEAELP Cc1nccc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000355375384 312395288 /nfs/dbraw/zinc/39/52/88/312395288.db2.gz XDJMBBMLUFCRLV-UHFFFAOYSA-N 2 2 340.456 2.354 10 0 EEAELP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414831171 313099219 /nfs/dbraw/zinc/09/92/19/313099219.db2.gz MTWRSHPQHZSJMU-APWZRJJASA-N 2 2 325.456 2.414 10 0 EEAELP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414888732 313106652 /nfs/dbraw/zinc/10/66/52/313106652.db2.gz XZPBFTQQHQZKKP-MRXNPFEDSA-N 2 2 347.484 2.013 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528011444 317302610 /nfs/dbraw/zinc/30/26/10/317302610.db2.gz LIYNCNXFPALPAD-KBXCAEBGSA-N 2 2 326.448 2.330 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528011444 317302614 /nfs/dbraw/zinc/30/26/14/317302614.db2.gz LIYNCNXFPALPAD-KBXCAEBGSA-N 2 2 326.448 2.330 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015833 317303158 /nfs/dbraw/zinc/30/31/58/317303158.db2.gz ZEJSAOOEMXPWLU-CJNGLKHVSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015833 317303164 /nfs/dbraw/zinc/30/31/64/317303164.db2.gz ZEJSAOOEMXPWLU-CJNGLKHVSA-N 2 2 337.489 2.002 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000538712028 318042642 /nfs/dbraw/zinc/04/26/42/318042642.db2.gz QHTYBSNNJQVCRW-GOSISDBHSA-N 2 2 333.395 2.184 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000538712028 318042645 /nfs/dbraw/zinc/04/26/45/318042645.db2.gz QHTYBSNNJQVCRW-GOSISDBHSA-N 2 2 333.395 2.184 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000548519856 318393787 /nfs/dbraw/zinc/39/37/87/318393787.db2.gz ALCWJUGUVGOUHD-UHFFFAOYSA-N 2 2 326.444 2.265 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564085961 319066449 /nfs/dbraw/zinc/06/64/49/319066449.db2.gz UHTCZZPPWHYFBC-KDOFPFPSSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564085961 319066452 /nfs/dbraw/zinc/06/64/52/319066452.db2.gz UHTCZZPPWHYFBC-KDOFPFPSSA-N 2 2 335.879 2.420 10 0 EEAELP COc1cncc(/C=C/CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000566156454 319253460 /nfs/dbraw/zinc/25/34/60/319253460.db2.gz XAPNJDCQSQIXOJ-BWDYHRDRSA-N 2 2 331.460 2.148 10 0 EEAELP COc1cncc(/C=C/CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000566156454 319253461 /nfs/dbraw/zinc/25/34/61/319253461.db2.gz XAPNJDCQSQIXOJ-BWDYHRDRSA-N 2 2 331.460 2.148 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566220207 319261527 /nfs/dbraw/zinc/26/15/27/319261527.db2.gz ILWBXNVRXWJBCX-SIXWZSSISA-N 2 2 347.478 2.111 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566220207 319261530 /nfs/dbraw/zinc/26/15/30/319261530.db2.gz ILWBXNVRXWJBCX-SIXWZSSISA-N 2 2 347.478 2.111 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566243155 319264286 /nfs/dbraw/zinc/26/42/86/319264286.db2.gz ZQPGBPIWUATHMZ-GOSISDBHSA-N 2 2 336.501 2.234 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566243155 319264288 /nfs/dbraw/zinc/26/42/88/319264288.db2.gz ZQPGBPIWUATHMZ-GOSISDBHSA-N 2 2 336.501 2.234 10 0 EEAELP CCCc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000566777952 319319456 /nfs/dbraw/zinc/31/94/56/319319456.db2.gz LXKNLTMEDZORIL-UHFFFAOYSA-N 2 2 348.491 2.307 10 0 EEAELP COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000580225470 324020177 /nfs/dbraw/zinc/02/01/77/324020177.db2.gz ZBEAHRYYWBAKNR-UONOGXRCSA-N 2 2 328.416 2.372 10 0 EEAELP COC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000580225470 324020182 /nfs/dbraw/zinc/02/01/82/324020182.db2.gz ZBEAHRYYWBAKNR-UONOGXRCSA-N 2 2 328.416 2.372 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582003418 324359633 /nfs/dbraw/zinc/35/96/33/324359633.db2.gz IXLOBUHGEIZWFJ-YRNRMSPPSA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582003418 324359638 /nfs/dbraw/zinc/35/96/38/324359638.db2.gz IXLOBUHGEIZWFJ-YRNRMSPPSA-N 2 2 345.487 2.336 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000582300190 324425236 /nfs/dbraw/zinc/42/52/36/324425236.db2.gz INUIQCMCAKBGTG-JWTNVVGKSA-N 2 2 338.455 2.215 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)nc(C(C)C)[nH+]1 ZINC000627090359 451120660 /nfs/dbraw/zinc/12/06/60/451120660.db2.gz UPVKUVKIODXVJF-HNNXBMFYSA-N 2 2 348.495 2.137 10 0 EEAELP CCC[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1)[NH+](C)C ZINC000153009461 462605546 /nfs/dbraw/zinc/60/55/46/462605546.db2.gz PNNLTAQGDVMBBP-SFHVURJKSA-N 2 2 349.523 2.058 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000358315787 465054276 /nfs/dbraw/zinc/05/42/76/465054276.db2.gz HCWLWWZWJXJRIP-INWMFGNUSA-N 2 2 346.393 2.276 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000358315787 465054281 /nfs/dbraw/zinc/05/42/81/465054281.db2.gz HCWLWWZWJXJRIP-INWMFGNUSA-N 2 2 346.393 2.276 10 0 EEAELP C[C@@H]1CCCCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000358414135 465107373 /nfs/dbraw/zinc/10/73/73/465107373.db2.gz QBPDZYDQLDPUAL-QGZVFWFLSA-N 2 2 330.476 2.385 10 0 EEAELP C[C@@H]1CCCCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000358414135 465107380 /nfs/dbraw/zinc/10/73/80/465107380.db2.gz QBPDZYDQLDPUAL-QGZVFWFLSA-N 2 2 330.476 2.385 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCCCC3CCOCC3)CC2)cc[nH+]1 ZINC000337175744 465228476 /nfs/dbraw/zinc/22/84/76/465228476.db2.gz IXFHDBWGLRUROD-UHFFFAOYSA-N 2 2 347.507 2.262 10 0 EEAELP COCCOCCOc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000351620208 465254824 /nfs/dbraw/zinc/25/48/24/465254824.db2.gz OZIPVZPBGUGHQB-UHFFFAOYSA-N 2 2 336.476 2.254 10 0 EEAELP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919143 462554119 /nfs/dbraw/zinc/55/41/19/462554119.db2.gz DKQZSBYVFZXASN-UHFFFAOYSA-N 2 2 339.443 2.215 10 0 EEAELP CC[NH+](CC)CCC[C@@H](C)Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000152894571 462593463 /nfs/dbraw/zinc/59/34/63/462593463.db2.gz NFVUQYGJCQLRIB-HZPDHXFCSA-N 2 2 335.496 2.360 10 0 EEAELP CC[NH+](CC)CCC[C@@H](C)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000152894571 462593468 /nfs/dbraw/zinc/59/34/68/462593468.db2.gz NFVUQYGJCQLRIB-HZPDHXFCSA-N 2 2 335.496 2.360 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)NCCNc2cccc[nH+]2)CC1 ZINC000074823915 462639694 /nfs/dbraw/zinc/63/96/94/462639694.db2.gz PUDPTCVZYYSUMH-UHFFFAOYSA-N 2 2 339.443 2.230 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2OC)CC1 ZINC000047887153 462833157 /nfs/dbraw/zinc/83/31/57/462833157.db2.gz OFGSFHOQUIQIRI-HNNXBMFYSA-N 2 2 333.476 2.289 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2OC)CC1 ZINC000047887153 462833163 /nfs/dbraw/zinc/83/31/63/462833163.db2.gz OFGSFHOQUIQIRI-HNNXBMFYSA-N 2 2 333.476 2.289 10 0 EEAELP CO[C@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000076497565 462869107 /nfs/dbraw/zinc/86/91/07/462869107.db2.gz VQDSUYNEUDEXTK-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP CO[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000076497565 462869114 /nfs/dbraw/zinc/86/91/14/462869114.db2.gz VQDSUYNEUDEXTK-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000119403346 462897774 /nfs/dbraw/zinc/89/77/74/462897774.db2.gz MEBNMSRUTLVXDZ-OAHLLOKOSA-N 2 2 347.507 2.326 10 0 EEAELP C[NH+](C)Cc1cccc(C(=O)NCc2cccnc2-n2cc[nH+]c2)c1 ZINC000155677092 462927091 /nfs/dbraw/zinc/92/70/91/462927091.db2.gz MKAKPHOFUOGKLX-UHFFFAOYSA-N 2 2 335.411 2.259 10 0 EEAELP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)o3)CC2)CC1 ZINC000093142116 463012297 /nfs/dbraw/zinc/01/22/97/463012297.db2.gz WAWGFLQEZPGPOB-UHFFFAOYSA-N 2 2 339.867 2.309 10 0 EEAELP Cc1ccsc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121043504 463069140 /nfs/dbraw/zinc/06/91/40/463069140.db2.gz IHRFRGHVAIQTET-QGZVFWFLSA-N 2 2 337.533 2.283 10 0 EEAELP O=C(c1ccccc1F)N1CCC([NH2+][C@H]2C[NH+]3CCC2CC3)CC1 ZINC000096013567 463141369 /nfs/dbraw/zinc/14/13/69/463141369.db2.gz INMSHVMHLBDNSR-SFHVURJKSA-N 2 2 331.435 2.114 10 0 EEAELP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000157904978 463184053 /nfs/dbraw/zinc/18/40/53/463184053.db2.gz FZJOPXKATWYDOS-BRWVUGGUSA-N 2 2 328.416 2.036 10 0 EEAELP CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000157904978 463184054 /nfs/dbraw/zinc/18/40/54/463184054.db2.gz FZJOPXKATWYDOS-BRWVUGGUSA-N 2 2 328.416 2.036 10 0 EEAELP COC1CC[NH+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000053907031 463196328 /nfs/dbraw/zinc/19/63/28/463196328.db2.gz OGOOXVMUWHZELW-KRWDZBQOSA-N 2 2 345.487 2.003 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778498 463251144 /nfs/dbraw/zinc/25/11/44/463251144.db2.gz JFSUDZBZELXWBL-MJGOQNOKSA-N 2 2 340.471 2.039 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778498 463251148 /nfs/dbraw/zinc/25/11/48/463251148.db2.gz JFSUDZBZELXWBL-MJGOQNOKSA-N 2 2 340.471 2.039 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778498 463251152 /nfs/dbraw/zinc/25/11/52/463251152.db2.gz JFSUDZBZELXWBL-MJGOQNOKSA-N 2 2 340.471 2.039 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@@H]21 ZINC000158778498 463251155 /nfs/dbraw/zinc/25/11/55/463251155.db2.gz JFSUDZBZELXWBL-MJGOQNOKSA-N 2 2 340.471 2.039 10 0 EEAELP CCC(CC)[C@H](CNC(=O)[C@@H]1CCCn2cc[nH+]c21)[NH+]1CCOCC1 ZINC000081535994 463455826 /nfs/dbraw/zinc/45/58/26/463455826.db2.gz WDHJHROQHCGSQJ-SJORKVTESA-N 2 2 348.491 2.014 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000151329871 463514147 /nfs/dbraw/zinc/51/41/47/463514147.db2.gz QKAJEHOUTHCQCJ-VQIMIIECSA-N 2 2 345.487 2.311 10 0 EEAELP CCCC[N@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000112440468 463702244 /nfs/dbraw/zinc/70/22/44/463702244.db2.gz JPYLYWBEDRCFFT-UHFFFAOYSA-N 2 2 343.475 2.463 10 0 EEAELP CCCC[N@@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000112440468 463702245 /nfs/dbraw/zinc/70/22/45/463702245.db2.gz JPYLYWBEDRCFFT-UHFFFAOYSA-N 2 2 343.475 2.463 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000178292075 463875842 /nfs/dbraw/zinc/87/58/42/463875842.db2.gz YOGJESDARWDIHB-ROUUACIJSA-N 2 2 347.434 2.373 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000178292075 463875852 /nfs/dbraw/zinc/87/58/52/463875852.db2.gz YOGJESDARWDIHB-ROUUACIJSA-N 2 2 347.434 2.373 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CN1Cc1ccccc1 ZINC000261964516 463911938 /nfs/dbraw/zinc/91/19/38/463911938.db2.gz PYPYOMWCBKELFW-OBJCFNGXSA-N 2 2 343.515 2.396 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnc(N)s2)[C@@H]1c1cnn(C)c1 ZINC000261962663 463911988 /nfs/dbraw/zinc/91/19/88/463911988.db2.gz HLBVORXXARCQEH-XJKSGUPXSA-N 2 2 348.520 2.364 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnc(N)s2)[C@@H]1c1cnn(C)c1 ZINC000261962663 463911993 /nfs/dbraw/zinc/91/19/93/463911993.db2.gz HLBVORXXARCQEH-XJKSGUPXSA-N 2 2 348.520 2.364 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnc(N)s2)[C@@H]1c1cnn(C)c1 ZINC000261962663 463911997 /nfs/dbraw/zinc/91/19/97/463911997.db2.gz HLBVORXXARCQEH-XJKSGUPXSA-N 2 2 348.520 2.364 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnc(N)s2)[C@@H]1c1cnn(C)c1 ZINC000261962663 463912003 /nfs/dbraw/zinc/91/20/03/463912003.db2.gz HLBVORXXARCQEH-XJKSGUPXSA-N 2 2 348.520 2.364 10 0 EEAELP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000261961654 463912278 /nfs/dbraw/zinc/91/22/78/463912278.db2.gz PRRNBRWLSXUUMC-ARFHVFGLSA-N 2 2 337.851 2.025 10 0 EEAELP CC(C)N(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000195273390 464028592 /nfs/dbraw/zinc/02/85/92/464028592.db2.gz WUVKFDCQDUAJTC-IBGZPJMESA-N 2 2 346.519 2.481 10 0 EEAELP CC(C)N(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000195273390 464028596 /nfs/dbraw/zinc/02/85/96/464028596.db2.gz WUVKFDCQDUAJTC-IBGZPJMESA-N 2 2 346.519 2.481 10 0 EEAELP CC(C)N(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C(C)C ZINC000195273390 464028603 /nfs/dbraw/zinc/02/86/03/464028603.db2.gz WUVKFDCQDUAJTC-IBGZPJMESA-N 2 2 346.519 2.481 10 0 EEAELP CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1 ZINC000236688036 464219286 /nfs/dbraw/zinc/21/92/86/464219286.db2.gz NPKBUVIWMVENOT-HUUCEWRRSA-N 2 2 348.491 2.077 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189132372 464440229 /nfs/dbraw/zinc/44/02/29/464440229.db2.gz YOPNONILPQNSPC-LJQANCHMSA-N 2 2 346.450 2.271 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189132372 464440233 /nfs/dbraw/zinc/44/02/33/464440233.db2.gz YOPNONILPQNSPC-LJQANCHMSA-N 2 2 346.450 2.271 10 0 EEAELP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272296638 464552907 /nfs/dbraw/zinc/55/29/07/464552907.db2.gz HZOYMMYZKPGUJY-HNNXBMFYSA-N 2 2 327.432 2.214 10 0 EEAELP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272296638 464552915 /nfs/dbraw/zinc/55/29/15/464552915.db2.gz HZOYMMYZKPGUJY-HNNXBMFYSA-N 2 2 327.432 2.214 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1c1ccccc1 ZINC000272362054 464577541 /nfs/dbraw/zinc/57/75/41/464577541.db2.gz SEXGMZPQXACVQB-PKOBYXMFSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1c1ccccc1 ZINC000272362054 464577548 /nfs/dbraw/zinc/57/75/48/464577548.db2.gz SEXGMZPQXACVQB-PKOBYXMFSA-N 2 2 347.422 2.443 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000175725034 464609547 /nfs/dbraw/zinc/60/95/47/464609547.db2.gz VFLSWTZTKRRSFV-APWZRJJASA-N 2 2 347.503 2.316 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000175725034 464609553 /nfs/dbraw/zinc/60/95/53/464609553.db2.gz VFLSWTZTKRRSFV-APWZRJJASA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000175725034 464609560 /nfs/dbraw/zinc/60/95/60/464609560.db2.gz VFLSWTZTKRRSFV-APWZRJJASA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@H](C)C1 ZINC000175725034 464609568 /nfs/dbraw/zinc/60/95/68/464609568.db2.gz VFLSWTZTKRRSFV-APWZRJJASA-N 2 2 347.503 2.316 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248662598 464782717 /nfs/dbraw/zinc/78/27/17/464782717.db2.gz YMTRQLJJIZZODA-WCQYABFASA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248662598 464782722 /nfs/dbraw/zinc/78/27/22/464782722.db2.gz YMTRQLJJIZZODA-WCQYABFASA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248662598 464782726 /nfs/dbraw/zinc/78/27/26/464782726.db2.gz YMTRQLJJIZZODA-WCQYABFASA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248662598 464782729 /nfs/dbraw/zinc/78/27/29/464782729.db2.gz YMTRQLJJIZZODA-WCQYABFASA-N 2 2 337.411 2.128 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C)n2C2CC2)[C@@H](C)C1 ZINC000249442393 464875788 /nfs/dbraw/zinc/87/57/88/464875788.db2.gz MKEMDVQNGXCBBW-YOEHRIQHSA-N 2 2 335.496 2.148 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(C)n2C2CC2)[C@@H](C)C1 ZINC000249442393 464875792 /nfs/dbraw/zinc/87/57/92/464875792.db2.gz MKEMDVQNGXCBBW-YOEHRIQHSA-N 2 2 335.496 2.148 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1(CO)CC1 ZINC000348223752 465498936 /nfs/dbraw/zinc/49/89/36/465498936.db2.gz MAFAZROCICSPLE-CYBMUJFWSA-N 2 2 328.416 2.108 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1(CO)CC1 ZINC000348223752 465498937 /nfs/dbraw/zinc/49/89/37/465498937.db2.gz MAFAZROCICSPLE-CYBMUJFWSA-N 2 2 328.416 2.108 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000337374814 465334911 /nfs/dbraw/zinc/33/49/11/465334911.db2.gz ULWLERXKXUMVQU-RCCFBDPRSA-N 2 2 345.487 2.001 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000337374814 465334916 /nfs/dbraw/zinc/33/49/16/465334916.db2.gz ULWLERXKXUMVQU-RCCFBDPRSA-N 2 2 345.487 2.001 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[N@@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000330126794 465542430 /nfs/dbraw/zinc/54/24/30/465542430.db2.gz IUWGYOCYYLGJPG-RYRKJORJSA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000330126794 465542435 /nfs/dbraw/zinc/54/24/35/465542435.db2.gz IUWGYOCYYLGJPG-RYRKJORJSA-N 2 2 345.491 2.377 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[NH+]2CCC2)c(C)c1 ZINC000337732657 465546197 /nfs/dbraw/zinc/54/61/97/465546197.db2.gz YEWVXQQSYFBGNH-SFHVURJKSA-N 2 2 341.459 2.246 10 0 EEAELP COc1ccc2c(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000366479915 465753780 /nfs/dbraw/zinc/75/37/80/465753780.db2.gz HWENXWPBDVJKPF-IBGZPJMESA-N 2 2 328.412 2.329 10 0 EEAELP COc1ccc2c(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000366479915 465753787 /nfs/dbraw/zinc/75/37/87/465753787.db2.gz HWENXWPBDVJKPF-IBGZPJMESA-N 2 2 328.412 2.329 10 0 EEAELP COc1ccc2c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1 ZINC000366479915 465753797 /nfs/dbraw/zinc/75/37/97/465753797.db2.gz HWENXWPBDVJKPF-IBGZPJMESA-N 2 2 328.412 2.329 10 0 EEAELP COc1ccc2c(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1 ZINC000366479915 465753803 /nfs/dbraw/zinc/75/38/03/465753803.db2.gz HWENXWPBDVJKPF-IBGZPJMESA-N 2 2 328.412 2.329 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)OCO2 ZINC000340420113 466079729 /nfs/dbraw/zinc/07/97/29/466079729.db2.gz ZVQUFRIDVNUKGZ-CVEARBPZSA-N 2 2 348.443 2.157 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)OCO2 ZINC000340420113 466079736 /nfs/dbraw/zinc/07/97/36/466079736.db2.gz ZVQUFRIDVNUKGZ-CVEARBPZSA-N 2 2 348.443 2.157 10 0 EEAELP CCc1cc(NCC[NH+]2CCN(C(=O)C3CCCC3)CC2)nc(C)[nH+]1 ZINC000302071093 466092682 /nfs/dbraw/zinc/09/26/82/466092682.db2.gz YKFPFGOZPBYVKK-UHFFFAOYSA-N 2 2 345.491 2.094 10 0 EEAELP C[C@@H](O)C[N@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CCCCC1 ZINC000591476105 468476319 /nfs/dbraw/zinc/47/63/19/468476319.db2.gz FMOOXYOTISXEEX-XLIONFOSSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@@H](O)C[N@@H+](C[C@@H](O)C[NH+](C)Cc1ccccc1)C1CCCCC1 ZINC000591476105 468476324 /nfs/dbraw/zinc/47/63/24/468476324.db2.gz FMOOXYOTISXEEX-XLIONFOSSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@@H](O)C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000591476105 468476329 /nfs/dbraw/zinc/47/63/29/468476329.db2.gz FMOOXYOTISXEEX-XLIONFOSSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@@H](O)C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000591476105 468476331 /nfs/dbraw/zinc/47/63/31/468476331.db2.gz FMOOXYOTISXEEX-XLIONFOSSA-N 2 2 334.504 2.495 10 0 EEAELP CCN(CCC[NH+](CC)CC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000349716855 466203164 /nfs/dbraw/zinc/20/31/64/466203164.db2.gz TWAOLJCPJNSSNW-UHFFFAOYSA-N 2 2 335.496 2.411 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)CC2 ZINC000374667661 466709998 /nfs/dbraw/zinc/70/99/98/466709998.db2.gz YLMYQOZNUHNKFH-KRWDZBQOSA-N 2 2 341.459 2.328 10 0 EEAELP Cc1nc(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)cc[nH+]1 ZINC000373398915 466791560 /nfs/dbraw/zinc/79/15/60/466791560.db2.gz MXBNGPYHPDUYFD-UHFFFAOYSA-N 2 2 334.427 2.293 10 0 EEAELP CC(C)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000370680354 466963234 /nfs/dbraw/zinc/96/32/34/466963234.db2.gz GJXPJEJDTHKKQL-MAUKXSAKSA-N 2 2 347.507 2.323 10 0 EEAELP CC(C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000370680354 466963239 /nfs/dbraw/zinc/96/32/39/466963239.db2.gz GJXPJEJDTHKKQL-MAUKXSAKSA-N 2 2 347.507 2.323 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945494 466997921 /nfs/dbraw/zinc/99/79/21/466997921.db2.gz QZPMTLNAABQHSW-WKPIXPDZSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945494 466997925 /nfs/dbraw/zinc/99/79/25/466997925.db2.gz QZPMTLNAABQHSW-WKPIXPDZSA-N 2 2 342.846 2.261 10 0 EEAELP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000366012864 467029055 /nfs/dbraw/zinc/02/90/55/467029055.db2.gz SCOFKUYRIDKIEP-GOSISDBHSA-N 2 2 329.488 2.093 10 0 EEAELP c1ccc2c(c1)CCCN2CC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000366012864 467029060 /nfs/dbraw/zinc/02/90/60/467029060.db2.gz SCOFKUYRIDKIEP-GOSISDBHSA-N 2 2 329.488 2.093 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377392790 467055444 /nfs/dbraw/zinc/05/54/44/467055444.db2.gz NIUSMVRKJFDXAP-GDBMZVCRSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377392790 467055448 /nfs/dbraw/zinc/05/54/48/467055448.db2.gz NIUSMVRKJFDXAP-GDBMZVCRSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377392790 467055452 /nfs/dbraw/zinc/05/54/52/467055452.db2.gz NIUSMVRKJFDXAP-GDBMZVCRSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377392790 467055456 /nfs/dbraw/zinc/05/54/56/467055456.db2.gz NIUSMVRKJFDXAP-GDBMZVCRSA-N 2 2 341.459 2.087 10 0 EEAELP CCOc1c(OC)cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1OC ZINC000377779869 467138906 /nfs/dbraw/zinc/13/89/06/467138906.db2.gz LCXNCQVJVJIBKI-ZDUSSCGKSA-N 2 2 331.416 2.473 10 0 EEAELP CCOc1c(OC)cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1OC ZINC000377779869 467138907 /nfs/dbraw/zinc/13/89/07/467138907.db2.gz LCXNCQVJVJIBKI-ZDUSSCGKSA-N 2 2 331.416 2.473 10 0 EEAELP C[C@@H](O)[C@H]1CCN(c2cc(NCC[N@H+](C)C3CCCCC3)nc[nH+]2)C1 ZINC000413084267 467167427 /nfs/dbraw/zinc/16/74/27/467167427.db2.gz MYWFFUYSYWRGCL-CVEARBPZSA-N 2 2 347.507 2.360 10 0 EEAELP C[C@@H](O)[C@H]1CCN(c2cc(NCC[N@@H+](C)C3CCCCC3)nc[nH+]2)C1 ZINC000413084267 467167429 /nfs/dbraw/zinc/16/74/29/467167429.db2.gz MYWFFUYSYWRGCL-CVEARBPZSA-N 2 2 347.507 2.360 10 0 EEAELP CC(C)C[NH+]1CCC(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CC1 ZINC000378052129 467186720 /nfs/dbraw/zinc/18/67/20/467186720.db2.gz PJFIHCFHNWAXMV-UHFFFAOYSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)C[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CC1 ZINC000378052129 467186722 /nfs/dbraw/zinc/18/67/22/467186722.db2.gz PJFIHCFHNWAXMV-UHFFFAOYSA-N 2 2 333.480 2.419 10 0 EEAELP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CCn2c[nH+]cc2C1 ZINC000378114191 467202098 /nfs/dbraw/zinc/20/20/98/467202098.db2.gz RKDZDFKZIMNWSQ-UHFFFAOYSA-N 2 2 344.325 2.057 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428541750 467244482 /nfs/dbraw/zinc/24/44/82/467244482.db2.gz CMHVLHNDYSWBAF-XPKDYRNWSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428541750 467244485 /nfs/dbraw/zinc/24/44/85/467244485.db2.gz CMHVLHNDYSWBAF-XPKDYRNWSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371715 467382211 /nfs/dbraw/zinc/38/22/11/467382211.db2.gz LVVUPFDXABOPCI-UZLBHIALSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371715 467382212 /nfs/dbraw/zinc/38/22/12/467382212.db2.gz LVVUPFDXABOPCI-UZLBHIALSA-N 2 2 327.472 2.430 10 0 EEAELP O=C1[C@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420375570 467383945 /nfs/dbraw/zinc/38/39/45/467383945.db2.gz OLVJBKGCUXPKKG-MJGOQNOKSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420375570 467383948 /nfs/dbraw/zinc/38/39/48/467383948.db2.gz OLVJBKGCUXPKKG-MJGOQNOKSA-N 2 2 331.435 2.397 10 0 EEAELP CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000391852393 467423383 /nfs/dbraw/zinc/42/33/83/467423383.db2.gz ZYYYEOKAWBISJP-MAUKXSAKSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000391852393 467423386 /nfs/dbraw/zinc/42/33/86/467423386.db2.gz ZYYYEOKAWBISJP-MAUKXSAKSA-N 2 2 331.460 2.488 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC000391954290 467423612 /nfs/dbraw/zinc/42/36/12/467423612.db2.gz VLSKJGJUBJKSBR-OALUTQOASA-N 2 2 327.472 2.035 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC000391954290 467423615 /nfs/dbraw/zinc/42/36/15/467423615.db2.gz VLSKJGJUBJKSBR-OALUTQOASA-N 2 2 327.472 2.035 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[NH2+][C@H]3CCC[NH2+]C3)c2C)cc1 ZINC000414875078 467444741 /nfs/dbraw/zinc/44/47/41/467444741.db2.gz ZQYLNYIWFZCXRQ-KRWDZBQOSA-N 2 2 328.460 2.398 10 0 EEAELP COC[C@@]1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[NH2+]1 ZINC000414948647 467457607 /nfs/dbraw/zinc/45/76/07/467457607.db2.gz XYQVMLASGOUFLK-HNNXBMFYSA-N 2 2 332.366 2.486 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccnn1-c1ccccc1 ZINC000453258591 467472182 /nfs/dbraw/zinc/47/21/82/467472182.db2.gz HWSUAKWGHFKQMB-WMZOPIPTSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccnn1-c1ccccc1 ZINC000453258591 467472188 /nfs/dbraw/zinc/47/21/88/467472188.db2.gz HWSUAKWGHFKQMB-WMZOPIPTSA-N 2 2 328.460 2.370 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000454534766 467599569 /nfs/dbraw/zinc/59/95/69/467599569.db2.gz YCXVVOQHESQOKX-UHFFFAOYSA-N 2 2 335.496 2.462 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449245292 467625726 /nfs/dbraw/zinc/62/57/26/467625726.db2.gz ZVJOKPGXONSXQV-IBGZPJMESA-N 3 2 325.541 2.322 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449245292 467625727 /nfs/dbraw/zinc/62/57/27/467625727.db2.gz ZVJOKPGXONSXQV-IBGZPJMESA-N 3 2 325.541 2.322 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000449391074 467636467 /nfs/dbraw/zinc/63/64/67/467636467.db2.gz HPOVBTWHWGQPDI-VQTJNVASSA-N 2 2 331.504 2.087 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000449391074 467636468 /nfs/dbraw/zinc/63/64/68/467636468.db2.gz HPOVBTWHWGQPDI-VQTJNVASSA-N 2 2 331.504 2.087 10 0 EEAELP CC(C)[NH+]1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C1 ZINC000457713129 467685766 /nfs/dbraw/zinc/68/57/66/467685766.db2.gz AQNHOLOYTSMRQC-UHFFFAOYSA-N 2 2 335.358 2.027 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000528937835 467781424 /nfs/dbraw/zinc/78/14/24/467781424.db2.gz FDUQWVBRGNDAJZ-SJORKVTESA-N 2 2 326.444 2.313 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000528937835 467781427 /nfs/dbraw/zinc/78/14/27/467781427.db2.gz FDUQWVBRGNDAJZ-SJORKVTESA-N 2 2 326.444 2.313 10 0 EEAELP CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450246216 467808427 /nfs/dbraw/zinc/80/84/27/467808427.db2.gz QAFZUDSUWFZCHK-BSLJZLGVSA-N 2 2 333.520 2.438 10 0 EEAELP CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450246216 467808430 /nfs/dbraw/zinc/80/84/30/467808430.db2.gz QAFZUDSUWFZCHK-BSLJZLGVSA-N 2 2 333.520 2.438 10 0 EEAELP COc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530218436 467964873 /nfs/dbraw/zinc/96/48/73/467964873.db2.gz WDMTXRDXBCGGSL-QZTJIDSGSA-N 2 2 341.459 2.292 10 0 EEAELP Cn1ncc(Br)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000486937648 468013696 /nfs/dbraw/zinc/01/36/96/468013696.db2.gz PFYRJBOCUFMNIP-UHFFFAOYSA-N 2 2 327.270 2.147 10 0 EEAELP CN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518212585 468108786 /nfs/dbraw/zinc/10/87/86/468108786.db2.gz GNCUYMOBJYZVKD-OLZOCXBDSA-N 2 2 344.381 2.151 10 0 EEAELP CN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000518212585 468108787 /nfs/dbraw/zinc/10/87/87/468108787.db2.gz GNCUYMOBJYZVKD-OLZOCXBDSA-N 2 2 344.381 2.151 10 0 EEAELP FC(F)O[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000519593859 468177836 /nfs/dbraw/zinc/17/78/36/468177836.db2.gz WSHJCJRHAJLCEE-INIZCTEOSA-N 2 2 326.387 2.332 10 0 EEAELP FC(F)O[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000519593859 468177842 /nfs/dbraw/zinc/17/78/42/468177842.db2.gz WSHJCJRHAJLCEE-INIZCTEOSA-N 2 2 326.387 2.332 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000583329869 468680405 /nfs/dbraw/zinc/68/04/05/468680405.db2.gz 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O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000562839616 469089764 /nfs/dbraw/zinc/08/97/64/469089764.db2.gz VXHOXGYLXQKUHD-AVHGTGSPSA-N 2 2 331.504 2.003 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000562839616 469089773 /nfs/dbraw/zinc/08/97/73/469089773.db2.gz VXHOXGYLXQKUHD-AVHGTGSPSA-N 2 2 331.504 2.003 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(C)noc1C ZINC000602202400 469240006 /nfs/dbraw/zinc/24/00/06/469240006.db2.gz JFXQLOOSPKGTFD-RDJZCZTQSA-N 2 2 348.491 2.070 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(C)noc1C ZINC000602202400 469240009 /nfs/dbraw/zinc/24/00/09/469240009.db2.gz JFXQLOOSPKGTFD-RDJZCZTQSA-N 2 2 348.491 2.070 10 0 EEAELP C[NH+]1CCN([C@@H](C(=O)Nc2ccc3[nH+]ccn3c2)c2ccccc2)CC1 ZINC000603886675 469441090 /nfs/dbraw/zinc/44/10/90/469441090.db2.gz ZXIUARNHPZXPSQ-LJQANCHMSA-N 2 2 349.438 2.262 10 0 EEAELP [NH3+][C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000622761544 469467185 /nfs/dbraw/zinc/46/71/85/469467185.db2.gz PEJLNERACSRKAR-TZMCWYRMSA-N 2 2 338.333 2.367 10 0 EEAELP C[C@H]1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C[NH2+]1 ZINC000629397428 469530621 /nfs/dbraw/zinc/53/06/21/469530621.db2.gz VEISCXKBUDTRGS-CMPLNLGQSA-N 2 2 341.249 2.450 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000619771121 469679035 /nfs/dbraw/zinc/67/90/35/469679035.db2.gz PODVUHMTWYIZDV-OAHLLOKOSA-N 2 2 328.416 2.032 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000619771121 469679038 /nfs/dbraw/zinc/67/90/38/469679038.db2.gz PODVUHMTWYIZDV-OAHLLOKOSA-N 2 2 328.416 2.032 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000623671019 469728854 /nfs/dbraw/zinc/72/88/54/469728854.db2.gz PMUHFWNVKHGVJH-MSOLQXFVSA-N 2 2 338.455 2.269 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000623671019 469728856 /nfs/dbraw/zinc/72/88/56/469728856.db2.gz PMUHFWNVKHGVJH-MSOLQXFVSA-N 2 2 338.455 2.269 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[NH2+]1 ZINC000626932790 469760145 /nfs/dbraw/zinc/76/01/45/469760145.db2.gz ZZOQCULRDOTVER-GDBMZVCRSA-N 2 2 331.464 2.012 10 0 EEAELP Cc1ncc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)c1Cl ZINC000617765700 469795955 /nfs/dbraw/zinc/79/59/55/469795955.db2.gz MOLYUDSVPLVLIG-UHFFFAOYSA-N 2 2 347.290 2.310 10 0 EEAELP Cc1ncc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)c1Cl ZINC000617765700 469795959 /nfs/dbraw/zinc/79/59/59/469795959.db2.gz MOLYUDSVPLVLIG-UHFFFAOYSA-N 2 2 347.290 2.310 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000617767010 469797391 /nfs/dbraw/zinc/79/73/91/469797391.db2.gz CMIFDAVGUUOZJP-KGLIPLIRSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000617767010 469797398 /nfs/dbraw/zinc/79/73/98/469797398.db2.gz CMIFDAVGUUOZJP-KGLIPLIRSA-N 2 2 337.430 2.355 10 0 EEAELP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000627167250 469831965 /nfs/dbraw/zinc/83/19/65/469831965.db2.gz ALDGNICUKJNJFS-KRWDZBQOSA-N 2 2 332.492 2.478 10 0 EEAELP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+](CCCF)CC1 ZINC000627956926 470032381 /nfs/dbraw/zinc/03/23/81/470032381.db2.gz DSMNLVRNHATAOX-GOSISDBHSA-N 2 2 333.451 2.155 10 0 EEAELP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+](CCCF)CC1 ZINC000627956926 470032384 /nfs/dbraw/zinc/03/23/84/470032384.db2.gz DSMNLVRNHATAOX-GOSISDBHSA-N 2 2 333.451 2.155 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000628062768 470049697 /nfs/dbraw/zinc/04/96/97/470049697.db2.gz PDJPXXSPBMVHFE-QZTJIDSGSA-N 2 2 335.467 2.319 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000628062768 470049699 /nfs/dbraw/zinc/04/96/99/470049699.db2.gz PDJPXXSPBMVHFE-QZTJIDSGSA-N 2 2 335.467 2.319 10 0 EEAELP CC1CC(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000621471553 470052690 /nfs/dbraw/zinc/05/26/90/470052690.db2.gz UWSPTEMUGCGYPG-UHFFFAOYSA-N 2 2 336.524 2.282 10 0 EEAELP CC(C)n1ncnc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000631098563 470068329 /nfs/dbraw/zinc/06/83/29/470068329.db2.gz QBRANHSQZUPVGB-OAHLLOKOSA-N 2 2 329.452 2.006 10 0 EEAELP C[NH+]1CCC([N@H+](CCO)Cc2ccnn2CCc2ccccc2)CC1 ZINC000621709354 470096024 /nfs/dbraw/zinc/09/60/24/470096024.db2.gz SONKDIOAIIRNJT-UHFFFAOYSA-N 2 2 342.487 2.014 10 0 EEAELP C[NH+]1CCC([N@@H+](CCO)Cc2ccnn2CCc2ccccc2)CC1 ZINC000621709354 470096026 /nfs/dbraw/zinc/09/60/26/470096026.db2.gz SONKDIOAIIRNJT-UHFFFAOYSA-N 2 2 342.487 2.014 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621751335 470104020 /nfs/dbraw/zinc/10/40/20/470104020.db2.gz DMKRRMGHBIBPSK-WMZOPIPTSA-N 2 2 331.460 2.185 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621751335 470104024 /nfs/dbraw/zinc/10/40/24/470104024.db2.gz DMKRRMGHBIBPSK-WMZOPIPTSA-N 2 2 331.460 2.185 10 0 EEAELP C[N@H+](CC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@H]1CCSC1 ZINC000628774959 470154603 /nfs/dbraw/zinc/15/46/03/470154603.db2.gz XPRAUHGOFCWEMX-HOCLYGCPSA-N 2 2 348.447 2.192 10 0 EEAELP C[N@@H+](CC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@H]1CCSC1 ZINC000628774959 470154605 /nfs/dbraw/zinc/15/46/05/470154605.db2.gz XPRAUHGOFCWEMX-HOCLYGCPSA-N 2 2 348.447 2.192 10 0 EEAELP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842082 470187029 /nfs/dbraw/zinc/18/70/29/470187029.db2.gz UZRFGNROVFIXKJ-IJLUTSLNSA-N 2 2 327.375 2.142 10 0 EEAELP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842082 470187030 /nfs/dbraw/zinc/18/70/30/470187030.db2.gz UZRFGNROVFIXKJ-IJLUTSLNSA-N 2 2 327.375 2.142 10 0 EEAELP COc1ccc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631885469 470189254 /nfs/dbraw/zinc/18/92/54/470189254.db2.gz AUIQQVHSSAGJON-ZBFHGGJFSA-N 2 2 328.416 2.319 10 0 EEAELP COc1ccc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631885469 470189255 /nfs/dbraw/zinc/18/92/55/470189255.db2.gz AUIQQVHSSAGJON-ZBFHGGJFSA-N 2 2 328.416 2.319 10 0 EEAELP Cc1ccsc1[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721396 470286309 /nfs/dbraw/zinc/28/63/09/470286309.db2.gz YEAYVGZDLXHBQU-IEBWSBKVSA-N 2 2 346.496 2.317 10 0 EEAELP Cc1ccsc1[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721396 470286310 /nfs/dbraw/zinc/28/63/10/470286310.db2.gz YEAYVGZDLXHBQU-IEBWSBKVSA-N 2 2 346.496 2.317 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCC12CCOCC2 ZINC000639106674 470390599 /nfs/dbraw/zinc/39/05/99/470390599.db2.gz NKAWIDCNCGFXLP-UHFFFAOYSA-N 2 2 346.471 2.153 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCC12CCOCC2 ZINC000639106674 470390602 /nfs/dbraw/zinc/39/06/02/470390602.db2.gz NKAWIDCNCGFXLP-UHFFFAOYSA-N 2 2 346.471 2.153 10 0 EEAELP CCn1nc(C)c(C[N@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)c1C ZINC000639920833 470720559 /nfs/dbraw/zinc/72/05/59/470720559.db2.gz PJSRJMARVMAAEZ-IBGZPJMESA-N 2 2 344.503 2.445 10 0 EEAELP CCn1nc(C)c(C[N@@H+](C)C[C@@H](O)C[NH+](C)Cc2ccccc2)c1C ZINC000639920833 470720563 /nfs/dbraw/zinc/72/05/63/470720563.db2.gz PJSRJMARVMAAEZ-IBGZPJMESA-N 2 2 344.503 2.445 10 0 EEAELP CCn1nc(C)c(C[NH+](C)C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000639920833 470720567 /nfs/dbraw/zinc/72/05/67/470720567.db2.gz PJSRJMARVMAAEZ-IBGZPJMESA-N 2 2 344.503 2.445 10 0 EEAELP CCn1nc(C)c(C[NH+](C)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000639920833 470720569 /nfs/dbraw/zinc/72/05/69/470720569.db2.gz PJSRJMARVMAAEZ-IBGZPJMESA-N 2 2 344.503 2.445 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1F ZINC000647528152 470923335 /nfs/dbraw/zinc/92/33/35/470923335.db2.gz PNNVEULJTDGVGK-RIFZZMRRSA-N 2 2 346.446 2.330 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1F ZINC000647528152 470923338 /nfs/dbraw/zinc/92/33/38/470923338.db2.gz PNNVEULJTDGVGK-RIFZZMRRSA-N 2 2 346.446 2.330 10 0 EEAELP C[C@H](OC[C@@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000644548246 470979794 /nfs/dbraw/zinc/97/97/94/470979794.db2.gz WVMUCNAKPHEYKE-JQFCIGGWSA-N 2 2 326.868 2.462 10 0 EEAELP C[C@H](OC[C@@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000644548246 470979796 /nfs/dbraw/zinc/97/97/96/470979796.db2.gz WVMUCNAKPHEYKE-JQFCIGGWSA-N 2 2 326.868 2.462 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644548102 470980084 /nfs/dbraw/zinc/98/00/84/470980084.db2.gz OSWVHTWPQRYMPQ-STQMWFEESA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644548102 470980088 /nfs/dbraw/zinc/98/00/88/470980088.db2.gz OSWVHTWPQRYMPQ-STQMWFEESA-N 2 2 333.259 2.417 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000647899490 471010629 /nfs/dbraw/zinc/01/06/29/471010629.db2.gz MUTNOVBZOVEZSD-CGTJXYLNSA-N 2 2 343.471 2.090 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000647899490 471010634 /nfs/dbraw/zinc/01/06/34/471010634.db2.gz MUTNOVBZOVEZSD-CGTJXYLNSA-N 2 2 343.471 2.090 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc3c2CCC3)C1=O ZINC000651759493 471105991 /nfs/dbraw/zinc/10/59/91/471105991.db2.gz RTTHPHZNDKRVPZ-GOSISDBHSA-N 2 2 338.455 2.190 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657469849 471146478 /nfs/dbraw/zinc/14/64/78/471146478.db2.gz WXGUCNDKKDQPNO-UHFFFAOYSA-N 2 2 344.463 2.018 10 0 EEAELP COc1nsc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1Br ZINC000638588804 471155121 /nfs/dbraw/zinc/15/51/21/471155121.db2.gz NYKVHPBFDXQUON-VIFPVBQESA-N 2 2 334.283 2.346 10 0 EEAELP COc1nsc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1Br ZINC000638588804 471155124 /nfs/dbraw/zinc/15/51/24/471155124.db2.gz NYKVHPBFDXQUON-VIFPVBQESA-N 2 2 334.283 2.346 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2[nH+]ccn2C)C1 ZINC000655165975 471276173 /nfs/dbraw/zinc/27/61/73/471276173.db2.gz ZCNKOVCBZPRRMO-NVXWUHKLSA-N 2 2 326.444 2.162 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2[nH+]ccn2C)C1 ZINC000655165975 471276176 /nfs/dbraw/zinc/27/61/76/471276176.db2.gz ZCNKOVCBZPRRMO-NVXWUHKLSA-N 2 2 326.444 2.162 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000655408104 471314792 /nfs/dbraw/zinc/31/47/92/471314792.db2.gz OTXHSBSIEJOCCO-UAGQMJEPSA-N 2 2 326.444 2.388 10 0 EEAELP CN(Cc1c[nH+]c[nH]1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000663507915 471404498 /nfs/dbraw/zinc/40/44/98/471404498.db2.gz CCVIAQRYFUGMQX-UHFFFAOYSA-N 2 2 327.432 2.347 10 0 EEAELP CN(Cc1c[nH]c[nH+]1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000663507915 471404505 /nfs/dbraw/zinc/40/45/05/471404505.db2.gz CCVIAQRYFUGMQX-UHFFFAOYSA-N 2 2 327.432 2.347 10 0 EEAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655748028 471467535 /nfs/dbraw/zinc/46/75/35/471467535.db2.gz NBUYVAOALLNKON-RBUKOAKNSA-N 2 2 332.492 2.077 10 0 EEAELP C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000663736749 471497183 /nfs/dbraw/zinc/49/71/83/471497183.db2.gz YQTWVKXICXPZRK-HOCLYGCPSA-N 2 2 336.480 2.086 10 0 EEAELP C[C@H]1C[C@@H]1c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000663736749 471497190 /nfs/dbraw/zinc/49/71/90/471497190.db2.gz YQTWVKXICXPZRK-HOCLYGCPSA-N 2 2 336.480 2.086 10 0 EEAELP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CCC(F)CC1 ZINC000666930103 471592883 /nfs/dbraw/zinc/59/28/83/471592883.db2.gz WWPNBFWLKNVGNR-QQFBHYJXSA-N 2 2 330.492 2.086 10 0 EEAELP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CCC(F)CC1 ZINC000666930103 471592887 /nfs/dbraw/zinc/59/28/87/471592887.db2.gz WWPNBFWLKNVGNR-QQFBHYJXSA-N 2 2 330.492 2.086 10 0 EEAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000667084305 471648826 /nfs/dbraw/zinc/64/88/26/471648826.db2.gz JXDPCAOXMLHNSV-HOCLYGCPSA-N 2 2 343.431 2.082 10 0 EEAELP CC[NH+](CC)CC1CCN(C(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670076587 471669896 /nfs/dbraw/zinc/66/98/96/471669896.db2.gz VRLOOKNJFTZPJJ-UHFFFAOYSA-N 2 2 333.480 2.155 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670078716 471671180 /nfs/dbraw/zinc/67/11/80/471671180.db2.gz ROVBIMKCNHNETQ-HZPDHXFCSA-N 2 2 347.507 2.449 10 0 EEAELP Cc1ccc2[nH+]c(Cn3cc(C[C@H]([NH3+])Cc4ccccc4)nn3)cn2c1 ZINC000656447427 471718806 /nfs/dbraw/zinc/71/88/06/471718806.db2.gz APLHTFMHJPJFJE-QGZVFWFLSA-N 2 2 346.438 2.395 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000656540106 471752378 /nfs/dbraw/zinc/75/23/78/471752378.db2.gz DEEVVVUJCDTMQX-MRXNPFEDSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000656540106 471752381 /nfs/dbraw/zinc/75/23/81/471752381.db2.gz DEEVVVUJCDTMQX-MRXNPFEDSA-N 2 2 345.491 2.355 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@H](C)[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH+]1 ZINC000653965535 471791184 /nfs/dbraw/zinc/79/11/84/471791184.db2.gz NQEOQNWNSFNPNB-SOUVJXGZSA-N 2 2 345.447 2.262 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@H](C)[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH+]1 ZINC000653965535 471791187 /nfs/dbraw/zinc/79/11/87/471791187.db2.gz NQEOQNWNSFNPNB-SOUVJXGZSA-N 2 2 345.447 2.262 10 0 EEAELP C[NH+](C)C1CCN(c2ccc(NCc3cnn4c3CCC4)[nH+]c2)CC1 ZINC000656770826 471836843 /nfs/dbraw/zinc/83/68/43/471836843.db2.gz SJMJQFKHGSXSFS-UHFFFAOYSA-N 2 2 340.475 2.367 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000661824254 471895362 /nfs/dbraw/zinc/89/53/62/471895362.db2.gz AZGLYTHNBFAPMN-ZLIFDBKOSA-N 2 2 340.427 2.297 10 0 EEAELP Cn1c[nH+]cc1CC[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664938271 471904018 /nfs/dbraw/zinc/90/40/18/471904018.db2.gz IHPFTKDIMDTJIG-UHFFFAOYSA-N 2 2 341.390 2.425 10 0 EEAELP C[C@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000660275864 471924978 /nfs/dbraw/zinc/92/49/78/471924978.db2.gz HABBOTGXHIPVIE-HNNXBMFYSA-N 2 2 329.448 2.302 10 0 EEAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCN(C(C)=O)CC2)cc1 ZINC000665254379 471981896 /nfs/dbraw/zinc/98/18/96/471981896.db2.gz OZMFJEUXHXRFEW-PMACEKPBSA-N 2 2 345.487 2.131 10 0 EEAELP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1[nH+]ccn1C ZINC000662094621 471983715 /nfs/dbraw/zinc/98/37/15/471983715.db2.gz BXDRCYOOEMCFOL-CQSZACIVSA-N 2 2 329.448 2.085 10 0 EEAELP COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1[nH+]ccc(OC)c1OC ZINC000662271446 472052383 /nfs/dbraw/zinc/05/23/83/472052383.db2.gz GZHVIFILUVLJLF-INIZCTEOSA-N 2 2 343.427 2.254 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCCC2=CCCCC2)CCO1 ZINC000662315809 472066797 /nfs/dbraw/zinc/06/67/97/472066797.db2.gz HGVAGLOAZTVCIY-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCCC2=CCCCC2)CCO1 ZINC000662315809 472066800 /nfs/dbraw/zinc/06/68/00/472066800.db2.gz HGVAGLOAZTVCIY-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP C[C@H](Cc1ccco1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617209 472196334 /nfs/dbraw/zinc/19/63/34/472196334.db2.gz ISYAMGZNRSFEGY-WBVHZDCISA-N 2 2 333.476 2.085 10 0 EEAELP C[C@H](Cc1ccco1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617209 472196339 /nfs/dbraw/zinc/19/63/39/472196339.db2.gz ISYAMGZNRSFEGY-WBVHZDCISA-N 2 2 333.476 2.085 10 0 EEAELP CC(C)([NH3+])c1cc(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)on1 ZINC000662674254 472198446 /nfs/dbraw/zinc/19/84/46/472198446.db2.gz YGLXEJFOCDHLOX-UHFFFAOYSA-N 2 2 333.779 2.100 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662792890 472253427 /nfs/dbraw/zinc/25/34/27/472253427.db2.gz YJIDSXLVIKVZKH-RHSMWYFYSA-N 2 2 333.451 2.419 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662797512 472256488 /nfs/dbraw/zinc/25/64/88/472256488.db2.gz KUARVVPJYVYILO-FKGLVLAHSA-N 2 2 325.815 2.078 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662797512 472256492 /nfs/dbraw/zinc/25/64/92/472256492.db2.gz KUARVVPJYVYILO-FKGLVLAHSA-N 2 2 325.815 2.078 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680270053 485927007 /nfs/dbraw/zinc/92/70/07/485927007.db2.gz ODWHMVVJLRJQGH-GBESFXJTSA-N 2 2 338.455 2.300 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680270053 485927011 /nfs/dbraw/zinc/92/70/11/485927011.db2.gz ODWHMVVJLRJQGH-GBESFXJTSA-N 2 2 338.455 2.300 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000680270052 485927162 /nfs/dbraw/zinc/92/71/62/485927162.db2.gz ODWHMVVJLRJQGH-CEXWTWQISA-N 2 2 338.455 2.300 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680270052 485927166 /nfs/dbraw/zinc/92/71/66/485927166.db2.gz ODWHMVVJLRJQGH-CEXWTWQISA-N 2 2 338.455 2.300 10 0 EEAELP COc1cc(C)c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000685457770 486124414 /nfs/dbraw/zinc/12/44/14/486124414.db2.gz MNPJNNRCFKEKTI-SFHVURJKSA-N 2 2 346.519 2.307 10 0 EEAELP COc1cc(C)c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000685457770 486124420 /nfs/dbraw/zinc/12/44/20/486124420.db2.gz MNPJNNRCFKEKTI-SFHVURJKSA-N 2 2 346.519 2.307 10 0 EEAELP COc1cc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)cc(OC)c1O ZINC000363370859 522466554 /nfs/dbraw/zinc/46/65/54/522466554.db2.gz SBOATBMEGZIGLZ-UHFFFAOYSA-N 2 2 340.383 2.280 10 0 EEAELP CC(CC[NH+]1CCC([NH+](C)C)CC1)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000411166418 528705692 /nfs/dbraw/zinc/70/56/92/528705692.db2.gz SNTKJXCPIVREGP-UHFFFAOYSA-N 4 2 338.584 2.455 10 0 EEAELP CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177474485 535265181 /nfs/dbraw/zinc/26/51/81/535265181.db2.gz RXZLOGRUXVFKOW-QGZVFWFLSA-N 2 2 333.480 2.322 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000772979214 577308545 /nfs/dbraw/zinc/30/85/45/577308545.db2.gz HQQSRMWSSAZKCJ-HNNXBMFYSA-N 2 2 344.484 2.138 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@H+](C)Cn1c2ccccc2n(C)c1=O ZINC000762075165 577694521 /nfs/dbraw/zinc/69/45/21/577694521.db2.gz PLGFCERGHPGDJX-UHFFFAOYSA-N 2 2 341.459 2.469 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@@H+](C)Cn1c2ccccc2n(C)c1=O ZINC000762075165 577694522 /nfs/dbraw/zinc/69/45/22/577694522.db2.gz PLGFCERGHPGDJX-UHFFFAOYSA-N 2 2 341.459 2.469 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000764146182 577732003 /nfs/dbraw/zinc/73/20/03/577732003.db2.gz CBRODXLLOWEORN-MRXNPFEDSA-N 2 2 327.432 2.148 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000764146182 577732004 /nfs/dbraw/zinc/73/20/04/577732004.db2.gz CBRODXLLOWEORN-MRXNPFEDSA-N 2 2 327.432 2.148 10 0 EEAELP C[NH+](C)Cc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c2c1OC(F)(F)O2 ZINC000894866044 683238102 /nfs/dbraw/zinc/23/81/02/683238102.db2.gz FVUUYTIHHLJFAN-CQSZACIVSA-N 2 2 342.386 2.417 10 0 EEAELP C[NH+](C)Cc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c2c1OC(F)(F)O2 ZINC000894866044 683238107 /nfs/dbraw/zinc/23/81/07/683238107.db2.gz FVUUYTIHHLJFAN-CQSZACIVSA-N 2 2 342.386 2.417 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c[nH+]1 ZINC000897103971 686144537 /nfs/dbraw/zinc/14/45/37/686144537.db2.gz BYOHKEYBXKVYCI-RDJZCZTQSA-N 2 2 330.476 2.402 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c[nH+]1 ZINC000897103971 686144540 /nfs/dbraw/zinc/14/45/40/686144540.db2.gz BYOHKEYBXKVYCI-RDJZCZTQSA-N 2 2 330.476 2.402 10 0 EEAELP Cc1cn(C(C)(C)C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)c[nH+]1 ZINC000897816564 691792045 /nfs/dbraw/zinc/79/20/45/691792045.db2.gz PWDASZYBQBJEJN-QGZVFWFLSA-N 2 2 342.443 2.132 10 0 EEAELP COCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC001485609936 1191861263 /nfs/dbraw/zinc/86/12/63/1191861263.db2.gz UYMGVXBHOGDBIN-NNZMDNLPSA-N 2 2 345.487 2.341 10 0 EEAELP COCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3c(C)cc(C)[nH+]c3C)[C@@H]2C1 ZINC001485609936 1191861265 /nfs/dbraw/zinc/86/12/65/1191861265.db2.gz UYMGVXBHOGDBIN-NNZMDNLPSA-N 2 2 345.487 2.341 10 0 EEAELP CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001485659247 1191879799 /nfs/dbraw/zinc/87/97/99/1191879799.db2.gz ZBYUVOPKNJFCQR-ULQDDVLXSA-N 2 2 332.492 2.225 10 0 EEAELP CC(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001485659247 1191879800 /nfs/dbraw/zinc/87/98/00/1191879800.db2.gz ZBYUVOPKNJFCQR-ULQDDVLXSA-N 2 2 332.492 2.225 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@H]2C1 ZINC001485656928 1191891510 /nfs/dbraw/zinc/89/15/10/1191891510.db2.gz LEUFPXYDVSAJJQ-KADUFNJPSA-N 2 2 336.867 2.242 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@H+](C/C=C/Cl)C[C@H]2C1 ZINC001485656928 1191891511 /nfs/dbraw/zinc/89/15/11/1191891511.db2.gz LEUFPXYDVSAJJQ-KADUFNJPSA-N 2 2 336.867 2.242 10 0 EEAELP Cc1cnc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cn2cc[nH+]c2)s1 ZINC001266247030 1176019833 /nfs/dbraw/zinc/01/98/33/1176019833.db2.gz AHXHWYYSEQBKHL-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1cnc(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cn2cc[nH+]c2)s1 ZINC001266247030 1176019842 /nfs/dbraw/zinc/01/98/42/1176019842.db2.gz AHXHWYYSEQBKHL-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1)[NH+](C)C ZINC001266468351 1176593002 /nfs/dbraw/zinc/59/30/02/1176593002.db2.gz OIDIHGXANRZGSZ-LSDHHAIUSA-N 2 2 338.883 2.156 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001266542400 1176795218 /nfs/dbraw/zinc/79/52/18/1176795218.db2.gz SKNFSFATPICNCJ-SFHVURJKSA-N 2 2 344.434 2.236 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)oc1C ZINC001266724562 1177309012 /nfs/dbraw/zinc/30/90/12/1177309012.db2.gz SNIDMBFEOZLYQU-QGZVFWFLSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)oc1C ZINC001266724562 1177309021 /nfs/dbraw/zinc/30/90/21/1177309021.db2.gz SNIDMBFEOZLYQU-QGZVFWFLSA-N 2 2 348.491 2.246 10 0 EEAELP CN(CC[NH2+]CCCCC(F)(F)F)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266745653 1177338300 /nfs/dbraw/zinc/33/83/00/1177338300.db2.gz FSNRJPITJSLWEL-CYBMUJFWSA-N 2 2 346.397 2.226 10 0 EEAELP CN(CC[NH2+]CCc1ccccc1Cl)C(=O)CCc1[nH+]ccn1C ZINC001266785258 1177422096 /nfs/dbraw/zinc/42/20/96/1177422096.db2.gz KZCNVYGGOVAMOC-UHFFFAOYSA-N 2 2 348.878 2.297 10 0 EEAELP CCCC[NH2+]C[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001266787439 1177428692 /nfs/dbraw/zinc/42/86/92/1177428692.db2.gz XXNMGPIGTWVVPX-MRXNPFEDSA-N 2 2 332.492 2.390 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)c(F)c1)C(=O)CCn1cc[nH+]c1 ZINC001266793985 1177440430 /nfs/dbraw/zinc/44/04/30/1177440430.db2.gz HOYDGRPMBCQBQI-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691086642 1177553326 /nfs/dbraw/zinc/55/33/26/1177553326.db2.gz VQNSTEGGGLZFOT-MULDZMIYSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691086642 1177553328 /nfs/dbraw/zinc/55/33/28/1177553328.db2.gz VQNSTEGGGLZFOT-MULDZMIYSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)sn1 ZINC001267176678 1178421223 /nfs/dbraw/zinc/42/12/23/1178421223.db2.gz KTRVCCMBXYFNJH-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)sn1 ZINC001267176678 1178421229 /nfs/dbraw/zinc/42/12/29/1178421229.db2.gz KTRVCCMBXYFNJH-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP CCc1nocc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267176888 1178423551 /nfs/dbraw/zinc/42/35/51/1178423551.db2.gz NCVVFTDXLUDRKT-HNNXBMFYSA-N 2 2 345.447 2.064 10 0 EEAELP CCc1nocc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267176888 1178423556 /nfs/dbraw/zinc/42/35/56/1178423556.db2.gz NCVVFTDXLUDRKT-HNNXBMFYSA-N 2 2 345.447 2.064 10 0 EEAELP CC/C=C/CC[N@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001267213642 1178510592 /nfs/dbraw/zinc/51/05/92/1178510592.db2.gz SMKSQVRPVZSFFR-WRFKIARRSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[N@@H+](C)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001267213642 1178510600 /nfs/dbraw/zinc/51/06/00/1178510600.db2.gz SMKSQVRPVZSFFR-WRFKIARRSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267213642 1178510604 /nfs/dbraw/zinc/51/06/04/1178510604.db2.gz SMKSQVRPVZSFFR-WRFKIARRSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267213642 1178510610 /nfs/dbraw/zinc/51/06/10/1178510610.db2.gz SMKSQVRPVZSFFR-WRFKIARRSA-N 2 2 337.508 2.034 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+]1CCCCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001267271245 1178649879 /nfs/dbraw/zinc/64/98/79/1178649879.db2.gz RJXZLLMAWUYTFQ-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+]1CCCCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001267271245 1178649882 /nfs/dbraw/zinc/64/98/82/1178649882.db2.gz RJXZLLMAWUYTFQ-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP CN(CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)Cc1c[nH+]c[nH]1 ZINC001267435462 1179003774 /nfs/dbraw/zinc/00/37/74/1179003774.db2.gz YWDOAHKGXBQSLQ-UHFFFAOYSA-N 2 2 346.397 2.369 10 0 EEAELP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267489453 1179160935 /nfs/dbraw/zinc/16/09/35/1179160935.db2.gz RXGJJYNAPMQUSS-GDBMZVCRSA-N 2 2 336.455 2.022 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc2cc[nH]c2c1 ZINC001481008963 1179480841 /nfs/dbraw/zinc/48/08/41/1179480841.db2.gz QZQLXCPNQDAPDW-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc2cc[nH]c2c1 ZINC001481008963 1179480845 /nfs/dbraw/zinc/48/08/45/1179480845.db2.gz QZQLXCPNQDAPDW-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001481119167 1179791383 /nfs/dbraw/zinc/79/13/83/1179791383.db2.gz SAMDPGPDMQCPHH-BEFAXECRSA-N 2 2 338.455 2.088 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001481119167 1179791390 /nfs/dbraw/zinc/79/13/90/1179791390.db2.gz SAMDPGPDMQCPHH-BEFAXECRSA-N 2 2 338.455 2.088 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001481457794 1181411387 /nfs/dbraw/zinc/41/13/87/1181411387.db2.gz DYBDYPLKQGQHTB-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@@H](CCNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001481457794 1181411394 /nfs/dbraw/zinc/41/13/94/1181411394.db2.gz DYBDYPLKQGQHTB-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268372330 1182369706 /nfs/dbraw/zinc/36/97/06/1182369706.db2.gz COEOCNUYIKSTBL-DAXOMENPSA-N 2 2 330.407 2.337 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268372330 1182369713 /nfs/dbraw/zinc/36/97/13/1182369713.db2.gz COEOCNUYIKSTBL-DAXOMENPSA-N 2 2 330.407 2.337 10 0 EEAELP O=C(NC1(C[NH2+]C[C@H]2CCOC2)CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001481899774 1182912520 /nfs/dbraw/zinc/91/25/20/1182912520.db2.gz FVJXIPPAPVKPBH-CQSZACIVSA-N 2 2 342.443 2.232 10 0 EEAELP C[C@](C[NH2+]C/C=C\c1ccccc1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481950446 1183017764 /nfs/dbraw/zinc/01/77/64/1183017764.db2.gz GRESCYMNJQOAQG-DASIIQCKSA-N 2 2 338.455 2.471 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)sn1 ZINC001481991394 1183098250 /nfs/dbraw/zinc/09/82/50/1183098250.db2.gz NEJPEDZJUPLNFD-HNNXBMFYSA-N 2 2 347.488 2.067 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001481999881 1183113738 /nfs/dbraw/zinc/11/37/38/1183113738.db2.gz YOCSCOCQTABXDB-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001481999881 1183113740 /nfs/dbraw/zinc/11/37/40/1183113740.db2.gz YOCSCOCQTABXDB-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC1CC[NH+](Cc2ccsc2)CC1 ZINC001482049385 1183236603 /nfs/dbraw/zinc/23/66/03/1183236603.db2.gz BSTCTKCWNLTJLF-UHFFFAOYSA-N 2 2 346.500 2.443 10 0 EEAELP CO[C@H](C[NH2+]C[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001482121589 1183359251 /nfs/dbraw/zinc/35/92/51/1183359251.db2.gz OEDKGDCWYFKQDO-RHSMWYFYSA-N 2 2 344.459 2.105 10 0 EEAELP Cc1ncsc1C[NH2+]C/C=C\CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268598354 1183498423 /nfs/dbraw/zinc/49/84/23/1183498423.db2.gz PSYZPNSLEKUCEL-DHCBQETCSA-N 2 2 333.461 2.061 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001268620438 1183538364 /nfs/dbraw/zinc/53/83/64/1183538364.db2.gz WXIHIVQXPCPKRE-QAVQXKDTSA-N 2 2 345.274 2.107 10 0 EEAELP COCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268765220 1183680169 /nfs/dbraw/zinc/68/01/69/1183680169.db2.gz IVJSSNYCTCUVGT-ZFWWWQNUSA-N 2 2 330.432 2.088 10 0 EEAELP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001269736602 1184569048 /nfs/dbraw/zinc/56/90/48/1184569048.db2.gz LIEPBECWEXKRHJ-LJQANCHMSA-N 2 2 332.492 2.467 10 0 EEAELP CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001269736602 1184569051 /nfs/dbraw/zinc/56/90/51/1184569051.db2.gz LIEPBECWEXKRHJ-LJQANCHMSA-N 2 2 332.492 2.467 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482301164 1185212059 /nfs/dbraw/zinc/21/20/59/1185212059.db2.gz JHZDJTSTZCVFMA-ZFWWWQNUSA-N 2 2 332.473 2.144 10 0 EEAELP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001270682167 1185311891 /nfs/dbraw/zinc/31/18/91/1185311891.db2.gz IWTZLKSPDVXOEF-ROUUACIJSA-N 2 2 337.508 2.034 10 0 EEAELP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001270682167 1185311898 /nfs/dbraw/zinc/31/18/98/1185311898.db2.gz IWTZLKSPDVXOEF-ROUUACIJSA-N 2 2 337.508 2.034 10 0 EEAELP C[C@]1(C[NH2+]CCCc2ccccc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001270805157 1185404485 /nfs/dbraw/zinc/40/44/85/1185404485.db2.gz HPOXWYBFDUQVRL-HXUWFJFHSA-N 2 2 340.471 2.413 10 0 EEAELP CC(C)C[C@@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001271295116 1186122527 /nfs/dbraw/zinc/12/25/27/1186122527.db2.gz SUERZTHKLRLXCV-XCWUXJFVSA-N 2 2 338.883 2.397 10 0 EEAELP Cc1ncoc1C[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001482507451 1186425901 /nfs/dbraw/zinc/42/59/01/1186425901.db2.gz WBDCZVXKNYBMSN-UHFFFAOYSA-N 2 2 345.447 2.009 10 0 EEAELP Cc1ncoc1C[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001482507451 1186425904 /nfs/dbraw/zinc/42/59/04/1186425904.db2.gz WBDCZVXKNYBMSN-UHFFFAOYSA-N 2 2 345.447 2.009 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH2+]CCc1ccccc1 ZINC001271740142 1186453070 /nfs/dbraw/zinc/45/30/70/1186453070.db2.gz SAGTYSSSBDEADA-WMZOPIPTSA-N 2 2 340.471 2.412 10 0 EEAELP CC/C(C)=C\C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C)O2)CC1 ZINC001271911326 1186613679 /nfs/dbraw/zinc/61/36/79/1186613679.db2.gz DVWLUSJOHBPVNK-GPLDMWAOSA-N 2 2 337.508 2.080 10 0 EEAELP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001482839055 1187758513 /nfs/dbraw/zinc/75/85/13/1187758513.db2.gz HZBQIAKGOCGWFY-GFCCVEGCSA-N 2 2 336.386 2.305 10 0 EEAELP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001482839055 1187758517 /nfs/dbraw/zinc/75/85/17/1187758517.db2.gz HZBQIAKGOCGWFY-GFCCVEGCSA-N 2 2 336.386 2.305 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001482930579 1187851810 /nfs/dbraw/zinc/85/18/10/1187851810.db2.gz JUBMXLKWAJKBBL-IRXDYDNUSA-N 2 2 348.491 2.246 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001482930579 1187851812 /nfs/dbraw/zinc/85/18/12/1187851812.db2.gz JUBMXLKWAJKBBL-IRXDYDNUSA-N 2 2 348.491 2.246 10 0 EEAELP CCN(CC[NH2+]CCc1cccs1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482936476 1187857346 /nfs/dbraw/zinc/85/73/46/1187857346.db2.gz YQPUJRNPCFZGBU-HNNXBMFYSA-N 2 2 346.500 2.188 10 0 EEAELP Cc1ncoc1C[NH2+]C/C=C\CNC(=O)c1sccc1C[NH+](C)C ZINC001483016134 1188003603 /nfs/dbraw/zinc/00/36/03/1188003603.db2.gz PQJHTUWYARSADZ-PLNGDYQASA-N 2 2 348.472 2.182 10 0 EEAELP CCOC1CC(C[NH2+]C/C=C\CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001483037841 1188079262 /nfs/dbraw/zinc/07/92/62/1188079262.db2.gz UXZLXDXBMIZDQE-ARJAWSKDSA-N 2 2 342.443 2.025 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001483079974 1188441080 /nfs/dbraw/zinc/44/10/80/1188441080.db2.gz ZZOBWQQZUQWPOB-APHBUQMISA-N 2 2 334.464 2.038 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001483153791 1188932019 /nfs/dbraw/zinc/93/20/19/1188932019.db2.gz OPZGBSFQPFJYCJ-CABCVRRESA-N 2 2 330.432 2.137 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001483175168 1189025619 /nfs/dbraw/zinc/02/56/19/1189025619.db2.gz RKTAGYKIHFLTRF-ZIAGYGMSSA-N 2 2 332.423 2.064 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001483175168 1189025622 /nfs/dbraw/zinc/02/56/22/1189025622.db2.gz RKTAGYKIHFLTRF-ZIAGYGMSSA-N 2 2 332.423 2.064 10 0 EEAELP C[C@@H]([NH2+]CC1CC(F)(F)C1)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001409474579 1189791981 /nfs/dbraw/zinc/79/19/81/1189791981.db2.gz QNZUVTJLURLQGW-OLZOCXBDSA-N 2 2 328.407 2.191 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001409623542 1190117307 /nfs/dbraw/zinc/11/73/07/1190117307.db2.gz KREBDLJPSWHQIN-QWHCGFSZSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001409623542 1190117309 /nfs/dbraw/zinc/11/73/09/1190117309.db2.gz KREBDLJPSWHQIN-QWHCGFSZSA-N 2 2 335.477 2.236 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cnc(Cl)s1 ZINC001483421252 1190468363 /nfs/dbraw/zinc/46/83/63/1190468363.db2.gz PFSSFZPCTKTENX-LLVKDONJSA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cnc(Cl)s1 ZINC001483421252 1190468364 /nfs/dbraw/zinc/46/83/64/1190468364.db2.gz PFSSFZPCTKTENX-LLVKDONJSA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cnc(Cl)s1 ZINC001483421252 1190468366 /nfs/dbraw/zinc/46/83/66/1190468366.db2.gz PFSSFZPCTKTENX-LLVKDONJSA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cnc(Cl)s1 ZINC001483421252 1190468368 /nfs/dbraw/zinc/46/83/68/1190468368.db2.gz PFSSFZPCTKTENX-LLVKDONJSA-N 2 2 332.901 2.073 10 0 EEAELP Cc1conc1C[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001486090298 1193678556 /nfs/dbraw/zinc/67/85/56/1193678556.db2.gz HOWGDZJDHORJHM-GDBMZVCRSA-N 2 2 345.447 2.047 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CC2)c1 ZINC001483757805 1190984248 /nfs/dbraw/zinc/98/42/48/1190984248.db2.gz WGNOTNNRTZQTPU-HNNXBMFYSA-N 2 2 342.443 2.281 10 0 EEAELP Cc1ccccc1OCC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001483877329 1191104343 /nfs/dbraw/zinc/10/43/43/1191104343.db2.gz PLWVRQNSHZJAMO-LJQANCHMSA-N 2 2 347.503 2.103 10 0 EEAELP CC(C)[C@@H](C(=O)N(C)C1C[NH+](C/C=C\c2ccccc2)C1)[NH+](C)C ZINC001483889505 1191110397 /nfs/dbraw/zinc/11/03/97/1191110397.db2.gz ZSVUICDARAZFOT-ADYPVZHUSA-N 2 2 329.488 2.429 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+](Cc2cc(C)ccc2F)C1 ZINC001484052542 1191177149 /nfs/dbraw/zinc/17/71/49/1191177149.db2.gz NWGIIJWTEVATNH-LJQANCHMSA-N 2 2 344.434 2.420 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC001484052542 1191177153 /nfs/dbraw/zinc/17/71/53/1191177153.db2.gz NWGIIJWTEVATNH-LJQANCHMSA-N 2 2 344.434 2.420 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001484163308 1191251037 /nfs/dbraw/zinc/25/10/37/1191251037.db2.gz JNDVCHBMTOZVCW-LPHOPBHVSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001484163308 1191251038 /nfs/dbraw/zinc/25/10/38/1191251038.db2.gz JNDVCHBMTOZVCW-LPHOPBHVSA-N 2 2 332.492 2.320 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(F)(F)F ZINC001484391192 1191325564 /nfs/dbraw/zinc/32/55/64/1191325564.db2.gz IPRRIKSRMKOLMB-BTTYYORXSA-N 2 2 344.381 2.195 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(F)(F)F ZINC001484391192 1191325565 /nfs/dbraw/zinc/32/55/65/1191325565.db2.gz IPRRIKSRMKOLMB-BTTYYORXSA-N 2 2 344.381 2.195 10 0 EEAELP CCC1([NH2+]CCOC2CCC2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484819768 1191539521 /nfs/dbraw/zinc/53/95/21/1191539521.db2.gz VBHHQCPSNQKVOF-UHFFFAOYSA-N 2 2 348.491 2.191 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@H+](C)CC[C@@H]1CCCCO1 ZINC001485077048 1191645078 /nfs/dbraw/zinc/64/50/78/1191645078.db2.gz XRFDYKGQMJUOOE-IRXDYDNUSA-N 2 2 348.491 2.143 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC[C@@H]1CCCCO1 ZINC001485077048 1191645079 /nfs/dbraw/zinc/64/50/79/1191645079.db2.gz XRFDYKGQMJUOOE-IRXDYDNUSA-N 2 2 348.491 2.143 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cccnc2C)c[nH+]1 ZINC001485163328 1191675213 /nfs/dbraw/zinc/67/52/13/1191675213.db2.gz OISSRCYTRSZAOD-HUUCEWRRSA-N 2 2 343.475 2.313 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2C)cs1 ZINC001485199455 1191682792 /nfs/dbraw/zinc/68/27/92/1191682792.db2.gz PCDOTXJKHFQADD-OLZOCXBDSA-N 2 2 349.504 2.420 10 0 EEAELP CC1(C)C[N@H+](CC[C@H]2CCCCO2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001410039020 1197505622 /nfs/dbraw/zinc/50/56/22/1197505622.db2.gz OGXMDLRVLMBCJA-SJORKVTESA-N 2 2 348.491 2.059 10 0 EEAELP CC1(C)C[N@@H+](CC[C@H]2CCCCO2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001410039020 1197505626 /nfs/dbraw/zinc/50/56/26/1197505626.db2.gz OGXMDLRVLMBCJA-SJORKVTESA-N 2 2 348.491 2.059 10 0 EEAELP C[C@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1ccsc1 ZINC001410407286 1197815429 /nfs/dbraw/zinc/81/54/29/1197815429.db2.gz LKZKBLHMRCNHSZ-GFCCVEGCSA-N 2 2 336.461 2.048 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148753 1198057241 /nfs/dbraw/zinc/05/72/41/1198057241.db2.gz QYJPBYAQLBSXEF-IGQOVBAYSA-N 2 2 335.414 2.235 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148753 1198057248 /nfs/dbraw/zinc/05/72/48/1198057248.db2.gz QYJPBYAQLBSXEF-IGQOVBAYSA-N 2 2 335.414 2.235 10 0 EEAELP CCOC(=O)CC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000872235193 1198103268 /nfs/dbraw/zinc/10/32/68/1198103268.db2.gz DGTKPXNZHCVWIS-SJORKVTESA-N 2 2 326.481 2.077 10 0 EEAELP CCOC(=O)CC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000872235193 1198103274 /nfs/dbraw/zinc/10/32/74/1198103274.db2.gz DGTKPXNZHCVWIS-SJORKVTESA-N 2 2 326.481 2.077 10 0 EEAELP O=c1[nH]ccc2oc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc21 ZINC000865496401 1198246572 /nfs/dbraw/zinc/24/65/72/1198246572.db2.gz VSAYPVZTTVLFMX-HOTGVXAUSA-N 2 2 331.416 2.001 10 0 EEAELP Fc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)ccn1 ZINC000865720553 1198345767 /nfs/dbraw/zinc/34/57/67/1198345767.db2.gz BXPWFJUHCPVRJE-UHFFFAOYSA-N 2 2 345.418 2.222 10 0 EEAELP Cn1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C(F)F)n1 ZINC000812756656 1200901166 /nfs/dbraw/zinc/90/11/66/1200901166.db2.gz RBIGIWYWMHAXLU-CQSZACIVSA-N 2 2 328.407 2.091 10 0 EEAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411562 1201510296 /nfs/dbraw/zinc/51/02/96/1201510296.db2.gz PTVMYALNSRYQQB-RDJZCZTQSA-N 2 2 347.503 2.401 10 0 EEAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411562 1201510299 /nfs/dbraw/zinc/51/02/99/1201510299.db2.gz PTVMYALNSRYQQB-RDJZCZTQSA-N 2 2 347.503 2.401 10 0 EEAELP C[C@H](CC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)n1cc[nH+]c1 ZINC000882331355 1201853492 /nfs/dbraw/zinc/85/34/92/1201853492.db2.gz BVCBNVQHDYBFLD-MRXNPFEDSA-N 2 2 336.480 2.184 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(ccnc2Cl)o1 ZINC000869243411 1201973130 /nfs/dbraw/zinc/97/31/30/1201973130.db2.gz QQSMTTHPPKMLMN-UHFFFAOYSA-N 2 2 338.839 2.095 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(ccnc2Cl)o1 ZINC000869243411 1201973131 /nfs/dbraw/zinc/97/31/31/1201973131.db2.gz QQSMTTHPPKMLMN-UHFFFAOYSA-N 2 2 338.839 2.095 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]cn2C)c1 ZINC001274544477 1205076402 /nfs/dbraw/zinc/07/64/02/1205076402.db2.gz MYONHSUASKLCHE-PLNGDYQASA-N 2 2 340.471 2.432 10 0 EEAELP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)[nH+]c2)C1 ZINC000925634650 1206137983 /nfs/dbraw/zinc/13/79/83/1206137983.db2.gz PEVAZFRGMPYALJ-NBMJBFSESA-N 3 2 343.519 2.410 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926406592 1206219051 /nfs/dbraw/zinc/21/90/51/1206219051.db2.gz DNVPMMIEQZGUOX-ZWKOTPCHSA-N 2 2 341.455 2.279 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926406592 1206219052 /nfs/dbraw/zinc/21/90/52/1206219052.db2.gz DNVPMMIEQZGUOX-ZWKOTPCHSA-N 2 2 341.455 2.279 10 0 EEAELP O[C@H](CC[C@H](O)c1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929991905 1206526719 /nfs/dbraw/zinc/52/67/19/1206526719.db2.gz KXIPCWSNZKIWBP-KURKYZTESA-N 2 2 329.444 2.464 10 0 EEAELP O[C@H](CC[C@H](O)c1ccccc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929991905 1206526720 /nfs/dbraw/zinc/52/67/20/1206526720.db2.gz KXIPCWSNZKIWBP-KURKYZTESA-N 2 2 329.444 2.464 10 0 EEAELP C[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(=O)c1ccc(O)cc1 ZINC000931076575 1206604968 /nfs/dbraw/zinc/60/49/68/1206604968.db2.gz TVUPAEDFCAPHLH-MAUKXSAKSA-N 2 2 334.460 2.254 10 0 EEAELP C[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(=O)c1ccc(O)cc1 ZINC000931076575 1206604969 /nfs/dbraw/zinc/60/49/69/1206604969.db2.gz TVUPAEDFCAPHLH-MAUKXSAKSA-N 2 2 334.460 2.254 10 0 EEAELP c1ncn(CC[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)n1 ZINC000933546982 1207785540 /nfs/dbraw/zinc/78/55/40/1207785540.db2.gz IUNIUIZZAWNIRS-UHFFFAOYSA-N 2 2 325.460 2.365 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000796384367 1213949997 /nfs/dbraw/zinc/94/99/97/1213949997.db2.gz VKEPXETVMFQFDJ-YTQUADARSA-N 2 2 327.472 2.075 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000796384367 1213950003 /nfs/dbraw/zinc/95/00/03/1213950003.db2.gz VKEPXETVMFQFDJ-YTQUADARSA-N 2 2 327.472 2.075 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000796387015 1213978635 /nfs/dbraw/zinc/97/86/35/1213978635.db2.gz WXPSERKJFBTDGE-SLFFLAALSA-N 2 2 341.499 2.417 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000796387015 1213978643 /nfs/dbraw/zinc/97/86/43/1213978643.db2.gz WXPSERKJFBTDGE-SLFFLAALSA-N 2 2 341.499 2.417 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000796577048 1221421117 /nfs/dbraw/zinc/42/11/17/1221421117.db2.gz YKWCQPQLMMWDFL-KRWDZBQOSA-N 2 2 349.381 2.224 10 0 EEAELP O=C(NCC[NH+]1CCCCC1)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900207373 1234091077 /nfs/dbraw/zinc/09/10/77/1234091077.db2.gz WMZSEIKFXOUAOY-UHFFFAOYSA-N 2 2 341.459 2.211 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903551927 1240910787 /nfs/dbraw/zinc/91/07/87/1240910787.db2.gz CNYNJVKKLXHKEE-CQSZACIVSA-N 2 2 325.840 2.346 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903551927 1240910790 /nfs/dbraw/zinc/91/07/90/1240910790.db2.gz CNYNJVKKLXHKEE-CQSZACIVSA-N 2 2 325.840 2.346 10 0 EEAELP C[N@H+](CCOc1cccc(Cl)c1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903876256 1242275862 /nfs/dbraw/zinc/27/58/62/1242275862.db2.gz GGWUIZWKDWOBLE-HNNXBMFYSA-N 2 2 349.866 2.367 10 0 EEAELP C[N@@H+](CCOc1cccc(Cl)c1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903876256 1242275874 /nfs/dbraw/zinc/27/58/74/1242275874.db2.gz GGWUIZWKDWOBLE-HNNXBMFYSA-N 2 2 349.866 2.367 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+](CCCNC(=O)Cn2cc[nH+]c2C)C2CC2)o1 ZINC001490393849 1291285407 /nfs/dbraw/zinc/28/54/07/1291285407.db2.gz NMMTXYZGBWEAPF-CQSZACIVSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+](CCCNC(=O)Cn2cc[nH+]c2C)C2CC2)o1 ZINC001490393849 1291285416 /nfs/dbraw/zinc/28/54/16/1291285416.db2.gz NMMTXYZGBWEAPF-CQSZACIVSA-N 2 2 345.447 2.220 10 0 EEAELP CCCN(C(=O)Cc1[nH]c[nH+]c1C)C1CC[NH+](CCOCC)CC1 ZINC001490623728 1291534946 /nfs/dbraw/zinc/53/49/46/1291534946.db2.gz SWTZCKZRVFSCLD-UHFFFAOYSA-N 2 2 336.480 2.000 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(C)n3C)C2)ccn1 ZINC000856548711 1293562410 /nfs/dbraw/zinc/56/24/10/1293562410.db2.gz HGXZHWYVOKBBEH-IBGZPJMESA-N 2 2 343.475 2.229 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnc(C)n3C)C2)ccn1 ZINC000856548711 1293562416 /nfs/dbraw/zinc/56/24/16/1293562416.db2.gz HGXZHWYVOKBBEH-IBGZPJMESA-N 2 2 343.475 2.229 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnc(C)n3C)C2)ccn1 ZINC000856548711 1293562422 /nfs/dbraw/zinc/56/24/22/1293562422.db2.gz HGXZHWYVOKBBEH-IBGZPJMESA-N 2 2 343.475 2.229 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnc(C)n3C)C2)ccn1 ZINC000856548711 1293562429 /nfs/dbraw/zinc/56/24/29/1293562429.db2.gz HGXZHWYVOKBBEH-IBGZPJMESA-N 2 2 343.475 2.229 10 0 EEAELP CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000858284047 1294070936 /nfs/dbraw/zinc/07/09/36/1294070936.db2.gz WIIXYUSZSILJJA-OAHLLOKOSA-N 2 2 330.457 2.121 10 0 EEAELP CCOCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001278384791 1309959036 /nfs/dbraw/zinc/95/90/36/1309959036.db2.gz OWZUDUSLHRHJOW-ZFWWWQNUSA-N 2 2 330.432 2.182 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001263802367 1322516906 /nfs/dbraw/zinc/51/69/06/1322516906.db2.gz NWXMDCJQUHRXFP-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CCCCCF)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001263802367 1322516911 /nfs/dbraw/zinc/51/69/11/1322516911.db2.gz NWXMDCJQUHRXFP-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001265312738 1323060919 /nfs/dbraw/zinc/06/09/19/1323060919.db2.gz UQKKOBWBSCXGQI-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001265312738 1323060928 /nfs/dbraw/zinc/06/09/28/1323060928.db2.gz UQKKOBWBSCXGQI-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265485121 1323178386 /nfs/dbraw/zinc/17/83/86/1323178386.db2.gz YFXNLESTFBUCEG-PLFMJXSHSA-N 2 2 330.476 2.429 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CNC(=O)c2cccc3[nH+]ccn32)s1 ZINC001265800988 1323387625 /nfs/dbraw/zinc/38/76/25/1323387625.db2.gz OTUPHYCAUJMGON-LLVKDONJSA-N 2 2 329.429 2.007 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)Cc3ccns3)ccn12 ZINC001265845167 1323418808 /nfs/dbraw/zinc/41/88/08/1323418808.db2.gz FISYWDOSPRILFB-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)Cc3ccns3)ccn12 ZINC001265845167 1323418813 /nfs/dbraw/zinc/41/88/13/1323418813.db2.gz FISYWDOSPRILFB-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP CCOCCC[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001265921244 1323487547 /nfs/dbraw/zinc/48/75/47/1323487547.db2.gz JNXVOMMVJKIPQX-KRWDZBQOSA-N 2 2 342.443 2.103 10 0 EEAELP C[C@@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266148495 1323717645 /nfs/dbraw/zinc/71/76/45/1323717645.db2.gz BTIBLCGCPCEJDZ-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266148495 1323717652 /nfs/dbraw/zinc/71/76/52/1323717652.db2.gz BTIBLCGCPCEJDZ-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001266169511 1323739194 /nfs/dbraw/zinc/73/91/94/1323739194.db2.gz BEGLKEOHTKFAFW-FUHWJXTLSA-N 2 2 337.508 2.080 10 0 EEAELP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001266169511 1323739199 /nfs/dbraw/zinc/73/91/99/1323739199.db2.gz BEGLKEOHTKFAFW-FUHWJXTLSA-N 2 2 337.508 2.080 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001280444862 1324230236 /nfs/dbraw/zinc/23/02/36/1324230236.db2.gz GJOUFFAAJGESKE-NFBGWVBBSA-N 2 2 337.851 2.356 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCCCCF ZINC001281685802 1325400746 /nfs/dbraw/zinc/40/07/46/1325400746.db2.gz MGPXYZNFXUFMRD-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCCCCF ZINC001281685802 1325400756 /nfs/dbraw/zinc/40/07/56/1325400756.db2.gz MGPXYZNFXUFMRD-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCCC[C@H]1C[NH2+]CCF ZINC001281872732 1325496445 /nfs/dbraw/zinc/49/64/45/1325496445.db2.gz VPFSIUHDGJQRLM-KRWDZBQOSA-N 2 2 330.407 2.426 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001284015054 1326363543 /nfs/dbraw/zinc/36/35/43/1326363543.db2.gz RIZLXUNUWBTUGQ-DOTOQJQBSA-N 2 2 342.443 2.000 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001284293184 1326491723 /nfs/dbraw/zinc/49/17/23/1326491723.db2.gz NIARKZWZIOGDFE-NVXWUHKLSA-N 2 2 330.476 2.238 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001491607610 1330202445 /nfs/dbraw/zinc/20/24/45/1330202445.db2.gz XXZWIYVBJOXPCN-GJZGRUSLSA-N 2 2 340.471 2.372 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001491607610 1330202447 /nfs/dbraw/zinc/20/24/47/1330202447.db2.gz XXZWIYVBJOXPCN-GJZGRUSLSA-N 2 2 340.471 2.372 10 0 EEAELP C[N@H+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491958479 1330351333 /nfs/dbraw/zinc/35/13/33/1330351333.db2.gz DISQVHJORWSCRF-CYBMUJFWSA-N 2 2 346.302 2.324 10 0 EEAELP C[N@@H+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001491958479 1330351338 /nfs/dbraw/zinc/35/13/38/1330351338.db2.gz DISQVHJORWSCRF-CYBMUJFWSA-N 2 2 346.302 2.324 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001492133386 1331064783 /nfs/dbraw/zinc/06/47/83/1331064783.db2.gz VGDOYMNPXNQBKW-CXAGYDPISA-N 2 2 330.407 2.194 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ccon1 ZINC001316828740 1331918321 /nfs/dbraw/zinc/91/83/21/1331918321.db2.gz TZSLNZOXQWPOPA-KRWDZBQOSA-N 2 2 334.464 2.020 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ccon1 ZINC001316828740 1331918323 /nfs/dbraw/zinc/91/83/23/1331918323.db2.gz TZSLNZOXQWPOPA-KRWDZBQOSA-N 2 2 334.464 2.020 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)Cc1ccon1 ZINC001316828740 1331918324 /nfs/dbraw/zinc/91/83/24/1331918324.db2.gz TZSLNZOXQWPOPA-KRWDZBQOSA-N 2 2 334.464 2.020 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)Cc1ccon1 ZINC001316828740 1331918326 /nfs/dbraw/zinc/91/83/26/1331918326.db2.gz TZSLNZOXQWPOPA-KRWDZBQOSA-N 2 2 334.464 2.020 10 0 EEAELP Cc1conc1C[NH2+][C@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317400140 1332214606 /nfs/dbraw/zinc/21/46/06/1332214606.db2.gz YLJSCFLRIWONDF-GFCCVEGCSA-N 2 2 327.388 2.158 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001317595984 1332316422 /nfs/dbraw/zinc/31/64/22/1332316422.db2.gz NQNBVFLLFIZJNC-KRWDZBQOSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001317595984 1332316423 /nfs/dbraw/zinc/31/64/23/1332316423.db2.gz NQNBVFLLFIZJNC-KRWDZBQOSA-N 2 2 348.491 2.192 10 0 EEAELP C[C@@H]1CCCC[C@@]1(C[NH2+]CCOC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001318745378 1332587452 /nfs/dbraw/zinc/58/74/52/1332587452.db2.gz NNOJXRIULYXYPA-BEFAXECRSA-N 2 2 348.491 2.176 10 0 EEAELP CC[C@@H](F)C[NH2+]CC[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001318848101 1332610904 /nfs/dbraw/zinc/61/09/04/1332610904.db2.gz CSKFBYWCJZKUPB-HZPDHXFCSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH2+]CC1=CCCCC1 ZINC001319207634 1332665663 /nfs/dbraw/zinc/66/56/63/1332665663.db2.gz HUSIQZJPXWJGII-DOTOQJQBSA-N 2 2 330.476 2.288 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH2+]CCF)C1CCCCC1 ZINC001319659059 1332735782 /nfs/dbraw/zinc/73/57/82/1332735782.db2.gz FSNNPKJADMTRBR-BZUAXINKSA-N 2 2 336.455 2.148 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)on1 ZINC001319757441 1332759844 /nfs/dbraw/zinc/75/98/44/1332759844.db2.gz DHCFKPQKPCZPRY-INIZCTEOSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1ncoc1C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001319792138 1332769716 /nfs/dbraw/zinc/76/97/16/1332769716.db2.gz OPQHPXKGHCPWGH-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP CC[C@@H](C)NC(=O)C[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001320500686 1332898114 /nfs/dbraw/zinc/89/81/14/1332898114.db2.gz HQWOCJJAFIYFSI-KGLIPLIRSA-N 2 2 348.491 2.020 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)Cc1[nH]cc[nH+]1 ZINC001320586435 1332915724 /nfs/dbraw/zinc/91/57/24/1332915724.db2.gz BVJRUVGQNXJGHT-AWEZNQCLSA-N 2 2 326.444 2.126 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]C[C@@H]3CCCCO3)ccn12 ZINC001321065459 1333009490 /nfs/dbraw/zinc/00/94/90/1333009490.db2.gz TUOHMBVAEJYYNE-LIMHQNJXSA-N 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CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001323670974 1333513230 /nfs/dbraw/zinc/51/32/30/1333513230.db2.gz WRHBQJCUYLITIQ-DUZACMNTSA-N 2 2 348.491 2.127 10 0 EEAELP CC1(NC(=O)CCCC[NH+]2CCCC2)CC[NH+](Cc2ccon2)CC1 ZINC001324351284 1333662941 /nfs/dbraw/zinc/66/29/41/1333662941.db2.gz BOXNGWRYBRLDBP-UHFFFAOYSA-N 2 2 348.491 2.411 10 0 EEAELP C[C@@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001324749795 1333751640 /nfs/dbraw/zinc/75/16/40/1333751640.db2.gz BVQFEKUFBJSVFE-APWZRJJASA-N 2 2 330.476 2.074 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001326304759 1334064351 /nfs/dbraw/zinc/06/43/51/1334064351.db2.gz QQLDJSJGWQUAEB-DLBZAZTESA-N 2 2 330.476 2.074 10 0 EEAELP CC(C)OCCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001326586407 1334120633 /nfs/dbraw/zinc/12/06/33/1334120633.db2.gz VUZXOORLOSYFGR-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP CC(C)OCCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001326586407 1334120635 /nfs/dbraw/zinc/12/06/35/1334120635.db2.gz VUZXOORLOSYFGR-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1ccccc1CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001326937761 1334187379 /nfs/dbraw/zinc/18/73/79/1334187379.db2.gz NCNIXUSNXAOBOL-UHFFFAOYSA-N 2 2 340.471 2.453 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001327539727 1334311672 /nfs/dbraw/zinc/31/16/72/1334311672.db2.gz DILDAIDBWWZDOC-LJQANCHMSA-N 2 2 348.491 2.013 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001327539727 1334311673 /nfs/dbraw/zinc/31/16/73/1334311673.db2.gz DILDAIDBWWZDOC-LJQANCHMSA-N 2 2 348.491 2.013 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CC1=CCCCC1 ZINC001329474448 1334657967 /nfs/dbraw/zinc/65/79/67/1334657967.db2.gz JZFSHNAGPBGNHZ-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CC1=CCCCC1 ZINC001329474448 1334657973 /nfs/dbraw/zinc/65/79/73/1334657973.db2.gz JZFSHNAGPBGNHZ-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2cccc3cccnc32)C1 ZINC001330085270 1334776426 /nfs/dbraw/zinc/77/64/26/1334776426.db2.gz KZSMHHVGUFNHPG-OAHLLOKOSA-N 2 2 349.438 2.068 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001330086832 1334777297 /nfs/dbraw/zinc/77/72/97/1334777297.db2.gz USLMAWQDKQJXDS-CYBMUJFWSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001330086832 1334777301 /nfs/dbraw/zinc/77/73/01/1334777301.db2.gz USLMAWQDKQJXDS-CYBMUJFWSA-N 2 2 338.883 2.012 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H](C[NH2+]CCc2ccc(C)cc2)C1 ZINC001330696784 1334888143 /nfs/dbraw/zinc/88/81/43/1334888143.db2.gz YSNLAQZIPOBUPH-IYARVYRRSA-N 2 2 340.471 2.296 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001332026310 1335708395 /nfs/dbraw/zinc/70/83/95/1335708395.db2.gz JUOUZNBEPVTHNY-DOTOQJQBSA-N 2 2 348.491 2.271 10 0 EEAELP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001332198776 1335761337 /nfs/dbraw/zinc/76/13/37/1335761337.db2.gz LLLWOYKAYJZYNG-UKRRQHHQSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001332198776 1335761343 /nfs/dbraw/zinc/76/13/43/1335761343.db2.gz LLLWOYKAYJZYNG-UKRRQHHQSA-N 2 2 338.883 2.156 10 0 EEAELP COCCC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001332808738 1335911310 /nfs/dbraw/zinc/91/13/10/1335911310.db2.gz NHPZRJRTKQSNAO-MRXNPFEDSA-N 2 2 346.475 2.413 10 0 EEAELP CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001436387268 1342065450 /nfs/dbraw/zinc/06/54/50/1342065450.db2.gz RULAKXLONMMNPB-GWEOLNPGSA-N 2 2 344.503 2.292 10 0 EEAELP C[C@H](NC(=O)CCc1[nH+]ccn1C)C1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001506637909 1342298449 /nfs/dbraw/zinc/29/84/49/1342298449.db2.gz BUWBWCVCCOFFBW-HNNXBMFYSA-N 2 2 344.503 2.370 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001567400624 1342754243 /nfs/dbraw/zinc/75/42/43/1342754243.db2.gz QCGPMFFERFVWKK-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP CCOCCC[N@H+]1CC[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001567400624 1342754245 /nfs/dbraw/zinc/75/42/45/1342754245.db2.gz QCGPMFFERFVWKK-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001567409426 1342756825 /nfs/dbraw/zinc/75/68/25/1342756825.db2.gz HLFYBJGMKYYGQP-OAHLLOKOSA-N 2 2 337.427 2.072 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001567409426 1342756828 /nfs/dbraw/zinc/75/68/28/1342756828.db2.gz HLFYBJGMKYYGQP-OAHLLOKOSA-N 2 2 337.427 2.072 10 0 EEAELP C/C(=C/C(=O)NCC[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1)C1CC1 ZINC001569883794 1342968979 /nfs/dbraw/zinc/96/89/79/1342968979.db2.gz GAPHNDVQUFWIRP-BDEQVGPYSA-N 2 2 349.519 2.082 10 0 EEAELP CC1CC(C[NH2+]CC[C@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001570017053 1343001088 /nfs/dbraw/zinc/00/10/88/1343001088.db2.gz NMTJIFYZFUATDI-CGZBRXJRSA-N 2 2 332.492 2.227 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001570094355 1343011433 /nfs/dbraw/zinc/01/14/33/1343011433.db2.gz DTHFAYYGPJDPCL-OAHLLOKOSA-N 2 2 332.473 2.158 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]Cc2cccc(Cl)n2)CCC1 ZINC001570124986 1343014269 /nfs/dbraw/zinc/01/42/69/1343014269.db2.gz DPACHZKFKPFVOB-UHFFFAOYSA-N 2 2 347.850 2.138 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCCC2CCOCC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001676680420 1357179985 /nfs/dbraw/zinc/17/99/85/1357179985.db2.gz MPQLPDXCIMNQOS-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676976838 1357254292 /nfs/dbraw/zinc/25/42/92/1357254292.db2.gz XVWBGADIRYOCBQ-KGLIPLIRSA-N 2 2 346.397 2.490 10 0 EEAELP Cc1ccc(Cl)cc1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001646953539 1353069879 /nfs/dbraw/zinc/06/98/79/1353069879.db2.gz KSJROXUOPLBHQJ-UHFFFAOYSA-N 2 2 340.899 2.331 10 0 EEAELP Cc1ccc(Cl)cc1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001646953539 1353069883 /nfs/dbraw/zinc/06/98/83/1353069883.db2.gz KSJROXUOPLBHQJ-UHFFFAOYSA-N 2 2 340.899 2.331 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@@H+]1C1CCCC1 ZINC001649343230 1353488487 /nfs/dbraw/zinc/48/84/87/1353488487.db2.gz IBULOYJEFHQNBO-RDTXWAMCSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[NH+]3C)[nH]n2)CC[N@H+]1C1CCCC1 ZINC001649343230 1353488491 /nfs/dbraw/zinc/48/84/91/1353488491.db2.gz IBULOYJEFHQNBO-RDTXWAMCSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC[NH+]1C1CCCC1 ZINC001649343230 1353488495 /nfs/dbraw/zinc/48/84/95/1353488495.db2.gz IBULOYJEFHQNBO-RDTXWAMCSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC[NH+]1C1CCCC1 ZINC001649343230 1353488498 /nfs/dbraw/zinc/48/84/98/1353488498.db2.gz IBULOYJEFHQNBO-RDTXWAMCSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@H]1CC[NH2+]CCCF ZINC001649435584 1353502417 /nfs/dbraw/zinc/50/24/17/1353502417.db2.gz UUERICRBBVDCEA-CVEARBPZSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+]Cc1cccnc1)c1ccccc1 ZINC001649445453 1353509772 /nfs/dbraw/zinc/50/97/72/1353509772.db2.gz UYPKOMVWWKFPFF-LJQANCHMSA-N 2 2 349.438 2.234 10 0 EEAELP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001649904080 1353643894 /nfs/dbraw/zinc/64/38/94/1353643894.db2.gz ANDCAGOZVKWDKB-ZDUSSCGKSA-N 2 2 327.419 2.068 10 0 EEAELP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC001649904080 1353643899 /nfs/dbraw/zinc/64/38/99/1353643899.db2.gz ANDCAGOZVKWDKB-ZDUSSCGKSA-N 2 2 327.419 2.068 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ccon1)C1CC1 ZINC001660753303 1354532596 /nfs/dbraw/zinc/53/25/96/1354532596.db2.gz QJQLVBKTHLTQJD-QGZVFWFLSA-N 2 2 334.464 2.020 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ccon1)C1CC1 ZINC001660753303 1354532599 /nfs/dbraw/zinc/53/25/99/1354532599.db2.gz QJQLVBKTHLTQJD-QGZVFWFLSA-N 2 2 334.464 2.020 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](Cc1ccon1)C1CC1 ZINC001660753303 1354532601 /nfs/dbraw/zinc/53/26/01/1354532601.db2.gz QJQLVBKTHLTQJD-QGZVFWFLSA-N 2 2 334.464 2.020 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](Cc1ccon1)C1CC1 ZINC001660753303 1354532604 /nfs/dbraw/zinc/53/26/04/1354532604.db2.gz QJQLVBKTHLTQJD-QGZVFWFLSA-N 2 2 334.464 2.020 10 0 EEAELP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663992546 1355069406 /nfs/dbraw/zinc/06/94/06/1355069406.db2.gz LYYKPSDUROBMRS-HZPDHXFCSA-N 2 2 346.862 2.457 10 0 EEAELP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001663992546 1355069414 /nfs/dbraw/zinc/06/94/14/1355069414.db2.gz LYYKPSDUROBMRS-HZPDHXFCSA-N 2 2 346.862 2.457 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccnc(Cl)c1 ZINC001664548360 1355192110 /nfs/dbraw/zinc/19/21/10/1355192110.db2.gz OJOMPPMBAURPGQ-UHFFFAOYSA-N 2 2 349.866 2.418 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccnc(Cl)c1 ZINC001664548360 1355192113 /nfs/dbraw/zinc/19/21/13/1355192113.db2.gz OJOMPPMBAURPGQ-UHFFFAOYSA-N 2 2 349.866 2.418 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001666168043 1355474324 /nfs/dbraw/zinc/47/43/24/1355474324.db2.gz SCLKSEBWSWTOLH-INIZCTEOSA-N 2 2 341.459 2.074 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001666173250 1355475569 /nfs/dbraw/zinc/47/55/69/1355475569.db2.gz QTWIFXSWKPBSRY-OAHLLOKOSA-N 2 2 332.473 2.363 10 0 EEAELP CO[C@H](C)C[NH2+]CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001666218993 1355487708 /nfs/dbraw/zinc/48/77/08/1355487708.db2.gz JVIAVJIVQBTZKW-CQSZACIVSA-N 2 2 344.459 2.430 10 0 EEAELP CCN(CC[NH2+]CCc1ccns1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001668469668 1355947015 /nfs/dbraw/zinc/94/70/15/1355947015.db2.gz XQXKWZOUCUCOHF-UHFFFAOYSA-N 2 2 343.456 2.314 10 0 EEAELP CCCCC[NH+]1CCC2(CO[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001671448005 1356340604 /nfs/dbraw/zinc/34/06/04/1356340604.db2.gz ONWQVCALAMHPDC-INIZCTEOSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001672916947 1356614983 /nfs/dbraw/zinc/61/49/83/1356614983.db2.gz RYYRUPAAMQDFIG-HNNXBMFYSA-N 2 2 347.488 2.148 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001674760896 1356891368 /nfs/dbraw/zinc/89/13/68/1356891368.db2.gz MXLRMIBKTZPBOF-QWHCGFSZSA-N 2 2 349.866 2.084 10 0 EEAELP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001675323070 1356964731 /nfs/dbraw/zinc/96/47/31/1356964731.db2.gz VGWUZJHPCQLLQA-LMVHVUTASA-N 2 2 334.464 2.143 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC001698891497 1405133955 /nfs/dbraw/zinc/13/39/55/1405133955.db2.gz HWTWQUTVHGBSGF-WMZOPIPTSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001699111360 1405266983 /nfs/dbraw/zinc/26/69/83/1405266983.db2.gz BMPCBLKEWZXPMZ-NVXWUHKLSA-N 2 2 330.476 2.430 10 0 EEAELP O=C(NC/C=C/C[NH2+]CCC1CCOCC1)c1cccc2[nH+]ccn21 ZINC001699285139 1405316301 /nfs/dbraw/zinc/31/63/01/1405316301.db2.gz FMVRNQHVNBGEDI-OWOJBTEDSA-N 2 2 342.443 2.027 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC[N@@H+]1C ZINC000920835767 770878035 /nfs/dbraw/zinc/87/80/35/770878035.db2.gz MYZWCMOVOHVUDC-HYVNUMGLSA-N 2 2 341.459 2.096 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC[N@H+]1C ZINC000920835767 770878048 /nfs/dbraw/zinc/87/80/48/770878048.db2.gz MYZWCMOVOHVUDC-HYVNUMGLSA-N 2 2 341.459 2.096 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000911566573 787543296 /nfs/dbraw/zinc/54/32/96/787543296.db2.gz FMSDNSZDTXMDEJ-AZUAARDMSA-N 2 2 338.455 2.231 10 0 EEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912918612 788475986 /nfs/dbraw/zinc/47/59/86/788475986.db2.gz GNFDWUOHPLLFSH-QZTJIDSGSA-N 2 2 345.512 2.083 10 0 EEAELP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000714854274 795168785 /nfs/dbraw/zinc/16/87/85/795168785.db2.gz IRHXXCKNGUWWCK-YTQUADARSA-N 2 2 325.460 2.298 10 0 EEAELP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nn1 ZINC000714854274 795168791 /nfs/dbraw/zinc/16/87/91/795168791.db2.gz IRHXXCKNGUWWCK-YTQUADARSA-N 2 2 325.460 2.298 10 0 EEAELP CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000952994746 796142662 /nfs/dbraw/zinc/14/26/62/796142662.db2.gz URWXOHVWTZZNMR-JJXSEGSLSA-N 2 2 334.464 2.412 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2nc(Cl)cs2)CC1 ZINC000789906159 808275287 /nfs/dbraw/zinc/27/52/87/808275287.db2.gz XGXPFVDIBPYPEK-UHFFFAOYSA-N 2 2 337.836 2.196 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)OCc3cc[nH+]c(N)c3)cc2)CC1 ZINC000791939196 809492492 /nfs/dbraw/zinc/49/24/92/809492492.db2.gz NCEXYZPFYXCVKN-UHFFFAOYSA-N 2 2 340.427 2.163 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)Cc1ccsc1 ZINC001566468342 1125629032 /nfs/dbraw/zinc/62/90/32/1125629032.db2.gz XNATWGBCMJSAFS-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)Cc1ccsc1 ZINC001566468342 1125629036 /nfs/dbraw/zinc/62/90/36/1125629036.db2.gz XNATWGBCMJSAFS-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCC(F)(F)F ZINC001566555456 1125726478 /nfs/dbraw/zinc/72/64/78/1125726478.db2.gz VWCAHSMEULQVSM-CYBMUJFWSA-N 2 2 346.397 2.226 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCC(F)(F)F ZINC001566555456 1125726483 /nfs/dbraw/zinc/72/64/83/1125726483.db2.gz VWCAHSMEULQVSM-CYBMUJFWSA-N 2 2 346.397 2.226 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CC3)[C@H]2C1(C)C ZINC001436452865 1087893095 /nfs/dbraw/zinc/89/30/95/1087893095.db2.gz XJHHBJQRPLPQBC-BHIYHBOVSA-N 2 2 344.503 2.368 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1[C@H]2CCC[N@@H+](CC3CC3)[C@H]2C1(C)C ZINC001436452865 1087893114 /nfs/dbraw/zinc/89/31/14/1087893114.db2.gz XJHHBJQRPLPQBC-BHIYHBOVSA-N 2 2 344.503 2.368 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c(C)n1 ZINC001436965495 1088657095 /nfs/dbraw/zinc/65/70/95/1088657095.db2.gz LGMMXZTWUWFOEK-JCGIZDLHSA-N 2 2 341.459 2.283 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001437316177 1089476604 /nfs/dbraw/zinc/47/66/04/1089476604.db2.gz WOZSZIAPMJVPNR-SJORKVTESA-N 2 2 332.492 2.320 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@H+](C)CCOC2CCC2)C1 ZINC001437353466 1089573552 /nfs/dbraw/zinc/57/35/52/1089573552.db2.gz QKKMGXOKNQOCKD-RDJZCZTQSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]([N@@H+](C)CCOC2CCC2)C1 ZINC001437353466 1089573558 /nfs/dbraw/zinc/57/35/58/1089573558.db2.gz QKKMGXOKNQOCKD-RDJZCZTQSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@H+](C)CCOC2CCC2)C1 ZINC001437353466 1089573563 /nfs/dbraw/zinc/57/35/63/1089573563.db2.gz QKKMGXOKNQOCKD-RDJZCZTQSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]([N@@H+](C)CCOC2CCC2)C1 ZINC001437353466 1089573568 /nfs/dbraw/zinc/57/35/68/1089573568.db2.gz QKKMGXOKNQOCKD-RDJZCZTQSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCc1ccccc1 ZINC001437387198 1089638858 /nfs/dbraw/zinc/63/88/58/1089638858.db2.gz BJWOBXOOKKDOIU-AEFFLSMTSA-N 2 2 340.471 2.173 10 0 EEAELP CCc1ccccc1C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001437956885 1090553380 /nfs/dbraw/zinc/55/33/80/1090553380.db2.gz IFNJFILSMSSORI-KRWDZBQOSA-N 2 2 340.471 2.474 10 0 EEAELP CCc1ccccc1C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001437956885 1090553387 /nfs/dbraw/zinc/55/33/87/1090553387.db2.gz IFNJFILSMSSORI-KRWDZBQOSA-N 2 2 340.471 2.474 10 0 EEAELP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001438440533 1090942256 /nfs/dbraw/zinc/94/22/56/1090942256.db2.gz PVHZVWDOOYNPOT-VGWMRTNUSA-N 2 2 336.455 2.211 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]Cc1ccsc1 ZINC001438509907 1091001890 /nfs/dbraw/zinc/00/18/90/1091001890.db2.gz KAHVJRHOLWVZBE-DZGCQCFKSA-N 2 2 332.473 2.049 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1C[N@H+](CC2CC(C)(C)C2)CCO1)n1cc[nH+]c1 ZINC001438574227 1091061377 /nfs/dbraw/zinc/06/13/77/1091061377.db2.gz FFYFMVWHKTUXFJ-WBVHZDCISA-N 2 2 348.491 2.087 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1)n1cc[nH+]c1 ZINC001438574227 1091061381 /nfs/dbraw/zinc/06/13/81/1091061381.db2.gz FFYFMVWHKTUXFJ-WBVHZDCISA-N 2 2 348.491 2.087 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)on1 ZINC001438641547 1091122711 /nfs/dbraw/zinc/12/27/11/1091122711.db2.gz KNMRUATUSOHNFD-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccccc1 ZINC001445392298 1091136737 /nfs/dbraw/zinc/13/67/37/1091136737.db2.gz ASPMDAKYTJQBRX-CABCVRRESA-N 2 2 327.428 2.488 10 0 EEAELP C[C@H](C[NH2+]Cc1cnc(Cl)s1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445442791 1091202687 /nfs/dbraw/zinc/20/26/87/1091202687.db2.gz DDDYPNTUGXYLNK-GHMZBOCLSA-N 2 2 341.868 2.239 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cncc(F)c1)n1cc[nH+]c1 ZINC001439118613 1091762568 /nfs/dbraw/zinc/76/25/68/1091762568.db2.gz HRYHBVZJAAYFNJ-RHSMWYFYSA-N 2 2 347.438 2.299 10 0 EEAELP O=C(N[C@@H](C[NH2+]Cc1ccsc1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001445956336 1091902007 /nfs/dbraw/zinc/90/20/07/1091902007.db2.gz MDYDOJIQCFNGRH-RDJZCZTQSA-N 2 2 344.484 2.192 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001439413277 1092181223 /nfs/dbraw/zinc/18/12/23/1092181223.db2.gz YAHULBDIXXJTDT-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001439413277 1092181224 /nfs/dbraw/zinc/18/12/24/1092181224.db2.gz YAHULBDIXXJTDT-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1C[NH+](Cc2cccc(C)c2)C1 ZINC001439725884 1092690051 /nfs/dbraw/zinc/69/00/51/1092690051.db2.gz DHVLVNPGVZBTBZ-GOSISDBHSA-N 2 2 335.467 2.318 10 0 EEAELP CN(C(=O)CC[NH+](C)C)C1C[NH+](CCCc2ccccc2Cl)C1 ZINC001439746884 1092704960 /nfs/dbraw/zinc/70/49/60/1092704960.db2.gz TWEQSXKYIDAVKK-UHFFFAOYSA-N 2 2 337.895 2.367 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2C1 ZINC001440142574 1093204423 /nfs/dbraw/zinc/20/44/23/1093204423.db2.gz GKBZDZCUFVMYFL-HDICACEKSA-N 2 2 345.487 2.459 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)C)C[C@@H]2C1 ZINC001440142574 1093204427 /nfs/dbraw/zinc/20/44/27/1093204427.db2.gz GKBZDZCUFVMYFL-HDICACEKSA-N 2 2 345.487 2.459 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001440246762 1093338477 /nfs/dbraw/zinc/33/84/77/1093338477.db2.gz SZJPGEGFEGNYMP-UKRRQHHQSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001440246762 1093338487 /nfs/dbraw/zinc/33/84/87/1093338487.db2.gz SZJPGEGFEGNYMP-UKRRQHHQSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC(C)(C)CO2)C1)n1cc[nH+]c1 ZINC001448528305 1093561749 /nfs/dbraw/zinc/56/17/49/1093561749.db2.gz VDHJOFXLPCRWMR-VQHPVUNQSA-N 2 2 348.491 2.134 10 0 EEAELP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001448538783 1093576235 /nfs/dbraw/zinc/57/62/35/1093576235.db2.gz SQYPDQUMYNYPAS-HZPDHXFCSA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001448538783 1093576239 /nfs/dbraw/zinc/57/62/39/1093576239.db2.gz SQYPDQUMYNYPAS-HZPDHXFCSA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1cscn1 ZINC001440447825 1093659078 /nfs/dbraw/zinc/65/90/78/1093659078.db2.gz GWRZPCWYFPLATD-XHSDSOJGSA-N 2 2 338.521 2.198 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1cscn1 ZINC001440447825 1093659081 /nfs/dbraw/zinc/65/90/81/1093659081.db2.gz GWRZPCWYFPLATD-XHSDSOJGSA-N 2 2 338.521 2.198 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001440448721 1093660319 /nfs/dbraw/zinc/66/03/19/1093660319.db2.gz ORFSTOQXTDEVEQ-SJORKVTESA-N 2 2 332.492 2.179 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)C[C@@H]2C1 ZINC001440448721 1093660323 /nfs/dbraw/zinc/66/03/23/1093660323.db2.gz ORFSTOQXTDEVEQ-SJORKVTESA-N 2 2 332.492 2.179 10 0 EEAELP COc1ccc(F)cc1C[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001440481931 1093714420 /nfs/dbraw/zinc/71/44/20/1093714420.db2.gz NTLKGJJJIWARJI-UHFFFAOYSA-N 2 2 348.422 2.011 10 0 EEAELP COc1ccc(F)cc1C[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001440481931 1093714425 /nfs/dbraw/zinc/71/44/25/1093714425.db2.gz NTLKGJJJIWARJI-UHFFFAOYSA-N 2 2 348.422 2.011 10 0 EEAELP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001440839424 1094092685 /nfs/dbraw/zinc/09/26/85/1094092685.db2.gz LIVMJAYEJBZDNG-HOTGVXAUSA-N 2 2 328.460 2.262 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001440844373 1094101635 /nfs/dbraw/zinc/10/16/35/1094101635.db2.gz AQZLNJVBGJFFFA-WDEREUQCSA-N 2 2 326.853 2.281 10 0 EEAELP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001440936756 1094189182 /nfs/dbraw/zinc/18/91/82/1094189182.db2.gz CCMVBVCUJMEWBP-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001440936756 1094189186 /nfs/dbraw/zinc/18/91/86/1094189186.db2.gz CCMVBVCUJMEWBP-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP CC(C)N(CC[N@H+](C)CCCC1CCC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001449254270 1094201637 /nfs/dbraw/zinc/20/16/37/1094201637.db2.gz BOEFIYZJFDGPPK-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCCC1CCC1)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001449254270 1094201641 /nfs/dbraw/zinc/20/16/41/1094201641.db2.gz BOEFIYZJFDGPPK-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)N(CC[NH+](C)CCCC1CCC1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001449254270 1094201646 /nfs/dbraw/zinc/20/16/46/1094201646.db2.gz BOEFIYZJFDGPPK-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)N(CC[NH+](C)CCCC1CCC1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001449254270 1094201651 /nfs/dbraw/zinc/20/16/51/1094201651.db2.gz BOEFIYZJFDGPPK-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP Cc1ncccc1C[N@@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001449264779 1094213036 /nfs/dbraw/zinc/21/30/36/1094213036.db2.gz DIAHTJLJKRUJDO-UHFFFAOYSA-N 2 2 329.448 2.025 10 0 EEAELP Cc1ncccc1C[N@H+](C)CCN(C(=O)Cc1c[nH+]c[nH]1)C(C)C ZINC001449264779 1094213038 /nfs/dbraw/zinc/21/30/38/1094213038.db2.gz DIAHTJLJKRUJDO-UHFFFAOYSA-N 2 2 329.448 2.025 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C)co1 ZINC001449311786 1094265358 /nfs/dbraw/zinc/26/53/58/1094265358.db2.gz DPFHMBGJHAVMJG-MRXNPFEDSA-N 2 2 347.463 2.280 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)CCO1 ZINC001441106825 1094415486 /nfs/dbraw/zinc/41/54/86/1094415486.db2.gz FKBLVBDUIJGEKP-CVEARBPZSA-N 2 2 348.491 2.176 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC([C@@H](C)NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001441187111 1094545268 /nfs/dbraw/zinc/54/52/68/1094545268.db2.gz 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/nfs/dbraw/zinc/67/41/76/1110674176.db2.gz OPJJTCYCYSHSBX-SFHVURJKSA-N 2 2 348.491 2.013 10 0 EEAELP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001479298783 1110677742 /nfs/dbraw/zinc/67/77/42/1110677742.db2.gz QJEASRUTXYGLGD-OIPACUDHSA-N 2 2 347.507 2.321 10 0 EEAELP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001479298783 1110677744 /nfs/dbraw/zinc/67/77/44/1110677744.db2.gz QJEASRUTXYGLGD-OIPACUDHSA-N 2 2 347.507 2.321 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)c1ncc(C(C)(C)C)o1 ZINC001499448506 1112291302 /nfs/dbraw/zinc/29/13/02/1112291302.db2.gz LOOWOTRVTYEMLP-AWEZNQCLSA-N 2 2 348.491 2.367 10 0 EEAELP CO[C@H](C[NH+]1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001499685378 1112443005 /nfs/dbraw/zinc/44/30/05/1112443005.db2.gz DPJLMKOOCWBQMQ-GOSISDBHSA-N 2 2 345.487 2.001 10 0 EEAELP CCOCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001500157272 1112644176 /nfs/dbraw/zinc/64/41/76/1112644176.db2.gz 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Cc1cnc([C@@H](C)[N@H+]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)C2)o1 ZINC001506748146 1114861766 /nfs/dbraw/zinc/86/17/66/1114861766.db2.gz JEVXWRZYBAFHIN-CABCVRRESA-N 2 2 348.491 2.212 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC2(C1)CCC[N@@H+](CCCCCF)C2 ZINC001506867673 1114936610 /nfs/dbraw/zinc/93/66/10/1114936610.db2.gz LZEAFMNXZLTDQP-UHFFFAOYSA-N 2 2 336.455 2.337 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC2(C1)CCC[N@H+](CCCCCF)C2 ZINC001506867673 1114936611 /nfs/dbraw/zinc/93/66/11/1114936611.db2.gz LZEAFMNXZLTDQP-UHFFFAOYSA-N 2 2 336.455 2.337 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)C[C@H](C)[NH2+]CCC(F)(F)F ZINC001507088933 1115101827 /nfs/dbraw/zinc/10/18/27/1115101827.db2.gz MULPIZXMWQBTLB-NSHDSACASA-N 2 2 333.354 2.022 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC1CCC(F)(F)CC1 ZINC001507163761 1115142749 /nfs/dbraw/zinc/14/27/49/1115142749.db2.gz NNSPSWWELBCYMW-CYBMUJFWSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507321140 1115191233 /nfs/dbraw/zinc/19/12/33/1115191233.db2.gz YTHZCXCLOAAHBW-UKRRQHHQSA-N 2 2 342.443 2.325 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001507326869 1115193934 /nfs/dbraw/zinc/19/39/34/1115193934.db2.gz NSUIXTDZYUKCOW-KBXCAEBGSA-N 2 2 344.434 2.303 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1cccn(C2CC2)c1=O ZINC001543796467 1124135151 /nfs/dbraw/zinc/13/51/51/1124135151.db2.gz CKUJIFRFFYTKLJ-UHFFFAOYSA-N 2 2 335.367 2.325 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001568639125 1124651979 /nfs/dbraw/zinc/65/19/79/1124651979.db2.gz KQTJVZOTPKSFBO-AWEZNQCLSA-N 2 2 332.423 2.474 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001568639125 1124651981 /nfs/dbraw/zinc/65/19/81/1124651981.db2.gz KQTJVZOTPKSFBO-AWEZNQCLSA-N 2 2 332.423 2.474 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001568693260 1124706644 /nfs/dbraw/zinc/70/66/44/1124706644.db2.gz RTNGEZOEEWCWNP-LLVKDONJSA-N 2 2 338.814 2.429 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CCc2c[nH+]cn2C)s1 ZINC001568703750 1124719883 /nfs/dbraw/zinc/71/98/83/1124719883.db2.gz ULPCSTFFQQFIPW-LBPRGKRZSA-N 2 2 349.504 2.111 10 0 EEAELP C[C@@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)CCc1c[nH+]cn1C ZINC001568703988 1124720675 /nfs/dbraw/zinc/72/06/75/1124720675.db2.gz ZGKWAAIRXPNLOZ-ZWIPKHHJSA-N 2 2 333.263 2.156 10 0 EEAELP CCc1cnc(C[NH2+]CCN(CC)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001568751746 1124766862 /nfs/dbraw/zinc/76/68/62/1124766862.db2.gz SYUHHADHGVHZRS-WBVHZDCISA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH2+]CCN(CC)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)o1 ZINC001568751746 1124766867 /nfs/dbraw/zinc/76/68/67/1124766867.db2.gz SYUHHADHGVHZRS-WBVHZDCISA-N 2 2 348.491 2.192 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+]Cc1ccccc1Cl ZINC001568890997 1124917771 /nfs/dbraw/zinc/91/77/71/1124917771.db2.gz PGEHKMNDWXKAAQ-SNAWJCMRSA-N 2 2 346.862 2.468 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1cc(C)ccc1F ZINC001568953434 1124988358 /nfs/dbraw/zinc/98/83/58/1124988358.db2.gz DGZNVMHLYIMONG-ARJAWSKDSA-N 2 2 330.407 2.170 10 0 EEAELP CN(CCC[NH2+]CCc1cccs1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001569216666 1125171724 /nfs/dbraw/zinc/17/17/24/1125171724.db2.gz RMULLBXTLPRUQJ-HNNXBMFYSA-N 2 2 346.500 2.188 10 0 EEAELP c1[nH+]cn2cc(-c3nc([C@@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)ccc12 ZINC000350190155 539869239 /nfs/dbraw/zinc/86/92/39/539869239.db2.gz NUQYDKPZYWNZNH-CABCVRRESA-N 2 2 325.372 2.310 10 0 EEAELP c1[nH+]cn2cc(-c3nc([C@@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)ccc12 ZINC000350190155 539869242 /nfs/dbraw/zinc/86/92/42/539869242.db2.gz NUQYDKPZYWNZNH-CABCVRRESA-N 2 2 325.372 2.310 10 0 EEAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)NC(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272206 539992489 /nfs/dbraw/zinc/99/24/89/539992489.db2.gz NFRMVNWGXQPJJO-JQWIXIFHSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)NC(C)(C)C)s2)CC[C@@H]1[NH3+] ZINC000725272206 539992493 /nfs/dbraw/zinc/99/24/93/539992493.db2.gz NFRMVNWGXQPJJO-JQWIXIFHSA-N 2 2 325.482 2.232 10 0 EEAELP CC[NH+]1CCN(Cc2c(-c3ccncc3)[nH+]c3ccc(N)cn32)CC1 ZINC000036272094 202320692 /nfs/dbraw/zinc/32/06/92/202320692.db2.gz DKQMJRRMRWRSDO-UHFFFAOYSA-N 2 2 336.443 2.116 10 0 EEAELP C[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)Cn1cc[nH+]c1 ZINC000416167260 239093262 /nfs/dbraw/zinc/09/32/62/239093262.db2.gz QULXDGXOGGKXNW-MRXNPFEDSA-N 2 2 326.444 2.084 10 0 EEAELP C[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)Cn1cc[nH+]c1 ZINC000416167260 239093267 /nfs/dbraw/zinc/09/32/67/239093267.db2.gz QULXDGXOGGKXNW-MRXNPFEDSA-N 2 2 326.444 2.084 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275278788 201279606 /nfs/dbraw/zinc/27/96/06/201279606.db2.gz KGUANMVAJNKSGL-AWEZNQCLSA-N 2 2 343.431 2.252 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275278788 201279609 /nfs/dbraw/zinc/27/96/09/201279609.db2.gz KGUANMVAJNKSGL-AWEZNQCLSA-N 2 2 343.431 2.252 10 0 EEAELP CN(C)c1[nH]c2ccc(NC(=O)c3ccc(C[NH+](C)C)nc3)cc2[nH+]1 ZINC000416224911 239132235 /nfs/dbraw/zinc/13/22/35/239132235.db2.gz RNNXVJJWCIMEEZ-UHFFFAOYSA-N 2 2 338.415 2.338 10 0 EEAELP C[C@H](CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000422818109 240245498 /nfs/dbraw/zinc/24/54/98/240245498.db2.gz FPYKXZNIHOMCRW-NSISKUIASA-N 3 2 331.504 2.254 10 0 EEAELP C[C@H](CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000422818109 240245503 /nfs/dbraw/zinc/24/55/03/240245503.db2.gz FPYKXZNIHOMCRW-NSISKUIASA-N 3 2 331.504 2.254 10 0 EEAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nccn1CC(F)(F)F ZINC000422719581 240192104 /nfs/dbraw/zinc/19/21/04/240192104.db2.gz YWBGWSAOCJEECX-JSGCOSHPSA-N 2 2 326.366 2.494 10 0 EEAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000422719581 240192108 /nfs/dbraw/zinc/19/21/08/240192108.db2.gz YWBGWSAOCJEECX-JSGCOSHPSA-N 2 2 326.366 2.494 10 0 EEAELP Cc1cc(N2CCC([NH2+][C@H](C)c3c[nH+]ccc3N)CC2)nc(C)[nH+]1 ZINC000422835035 240250287 /nfs/dbraw/zinc/25/02/87/240250287.db2.gz ICHKCXAKIBUFMQ-CYBMUJFWSA-N 3 2 326.448 2.221 10 0 EEAELP CCCCNC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422945584 240302324 /nfs/dbraw/zinc/30/23/24/240302324.db2.gz UZRZZAPVEMEPLV-RTBURBONSA-N 2 2 345.487 2.073 10 0 EEAELP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423048671 240344195 /nfs/dbraw/zinc/34/41/95/240344195.db2.gz JCAILQUWLFDRIQ-NSISKUIASA-N 2 2 330.472 2.472 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCc2cnc(C)cn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423162685 240388784 /nfs/dbraw/zinc/38/87/84/240388784.db2.gz LOHYZZCLGYMJLM-RBUKOAKNSA-N 2 2 326.444 2.419 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000428374563 241572528 /nfs/dbraw/zinc/57/25/28/241572528.db2.gz NTMBDIVNKWRUHM-KRWDZBQOSA-N 2 2 331.508 2.336 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000451261018 243055818 /nfs/dbraw/zinc/05/58/18/243055818.db2.gz DUOPEDKEJHEELG-UYAOXDASSA-N 2 2 331.504 2.292 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000451261018 243055819 /nfs/dbraw/zinc/05/58/19/243055819.db2.gz DUOPEDKEJHEELG-UYAOXDASSA-N 2 2 331.504 2.292 10 0 EEAELP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000246714028 243299817 /nfs/dbraw/zinc/29/98/17/243299817.db2.gz XCSXZDMZOKULJY-KGLIPLIRSA-N 2 2 337.414 2.188 10 0 EEAELP O=C(C[C@H]1CCC[NH2+]1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000246714028 243299822 /nfs/dbraw/zinc/29/98/22/243299822.db2.gz XCSXZDMZOKULJY-KGLIPLIRSA-N 2 2 337.414 2.188 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000071828225 203122279 /nfs/dbraw/zinc/12/22/79/203122279.db2.gz UGIMHESITQKTPY-SFHVURJKSA-N 2 2 340.471 2.255 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2ccccc2nc1N1CCOCC1 ZINC000071828225 203122281 /nfs/dbraw/zinc/12/22/81/203122281.db2.gz UGIMHESITQKTPY-SFHVURJKSA-N 2 2 340.471 2.255 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2cn(-c3ccc(F)c(Cl)c3)nn2)c1 ZINC000459669922 245204027 /nfs/dbraw/zinc/20/40/27/245204027.db2.gz VDNDHDAMESFTQD-UHFFFAOYSA-N 2 2 334.786 2.126 10 0 EEAELP CCN(C)C(=O)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267647 284268242 /nfs/dbraw/zinc/26/82/42/284268242.db2.gz PIFQUAQSGOJCBO-OAHLLOKOSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(C)C(=O)CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267647 284268247 /nfs/dbraw/zinc/26/82/47/284268247.db2.gz PIFQUAQSGOJCBO-OAHLLOKOSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(C)C(=O)CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195267647 284268252 /nfs/dbraw/zinc/26/82/52/284268252.db2.gz PIFQUAQSGOJCBO-OAHLLOKOSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(C)C(=O)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195267647 284268258 /nfs/dbraw/zinc/26/82/58/284268258.db2.gz PIFQUAQSGOJCBO-OAHLLOKOSA-N 2 2 338.521 2.074 10 0 EEAELP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1 ZINC000262690450 152305607 /nfs/dbraw/zinc/30/56/07/152305607.db2.gz AEFGGPVGULLGIU-OAHLLOKOSA-N 2 2 325.403 2.142 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000263003134 152355160 /nfs/dbraw/zinc/35/51/60/152355160.db2.gz OYACLHAXFVSZMI-VNQPRFMTSA-N 2 2 337.414 2.153 10 0 EEAELP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201383 154002570 /nfs/dbraw/zinc/00/25/70/154002570.db2.gz VFAWNRLMZHPBFZ-CQSZACIVSA-N 2 2 342.443 2.475 10 0 EEAELP Cc1ccccc1-n1cc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)nn1 ZINC000377404561 154184638 /nfs/dbraw/zinc/18/46/38/154184638.db2.gz ZLHBOJSNLXDHPT-UHFFFAOYSA-N 2 2 345.410 2.446 10 0 EEAELP COc1ccccc1/C=C\C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000255672338 160397568 /nfs/dbraw/zinc/39/75/68/160397568.db2.gz KZPQHYLQJGRRDN-VURMDHGXSA-N 2 2 329.488 2.422 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cn21 ZINC000069405229 159028010 /nfs/dbraw/zinc/02/80/10/159028010.db2.gz QSNGIPFAESGKIF-HNNXBMFYSA-N 2 2 331.464 2.418 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2Cc3ccccc3C3(CC3)C2)CC1 ZINC000186199105 160062505 /nfs/dbraw/zinc/06/25/05/160062505.db2.gz PHPVGAYLFGETGL-MRXNPFEDSA-N 2 2 327.472 2.086 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2Cc3ccccc3C3(CC3)C2)CC1 ZINC000186199105 160062507 /nfs/dbraw/zinc/06/25/07/160062507.db2.gz PHPVGAYLFGETGL-MRXNPFEDSA-N 2 2 327.472 2.086 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000191872536 160162414 /nfs/dbraw/zinc/16/24/14/160162414.db2.gz RMNURPRXGWDLBD-UHFFFAOYSA-N 2 2 326.444 2.481 10 0 EEAELP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617186 160183844 /nfs/dbraw/zinc/18/38/44/160183844.db2.gz AKGSAGRDXQWMLT-JZXOWHBKSA-N 2 2 345.487 2.146 10 0 EEAELP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617186 160183845 /nfs/dbraw/zinc/18/38/45/160183845.db2.gz AKGSAGRDXQWMLT-JZXOWHBKSA-N 2 2 345.487 2.146 10 0 EEAELP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193617186 160183846 /nfs/dbraw/zinc/18/38/46/160183846.db2.gz AKGSAGRDXQWMLT-JZXOWHBKSA-N 2 2 345.487 2.146 10 0 EEAELP CCOc1ccccc1[C@H](CC)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193617186 160183848 /nfs/dbraw/zinc/18/38/48/160183848.db2.gz AKGSAGRDXQWMLT-JZXOWHBKSA-N 2 2 345.487 2.146 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000245902030 160256480 /nfs/dbraw/zinc/25/64/80/160256480.db2.gz QBUKHZYMTFKUNI-HZPDHXFCSA-N 2 2 347.434 2.254 10 0 EEAELP C[NH+](C)CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000364734704 165252439 /nfs/dbraw/zinc/25/24/39/165252439.db2.gz CLGSGUOHRGQZLU-UHFFFAOYSA-N 2 2 343.393 2.348 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000375621841 167168506 /nfs/dbraw/zinc/16/85/06/167168506.db2.gz XOVANHLTMIUYJA-IBGZPJMESA-N 2 2 333.524 2.374 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000375621841 167168508 /nfs/dbraw/zinc/16/85/08/167168508.db2.gz XOVANHLTMIUYJA-IBGZPJMESA-N 2 2 333.524 2.374 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000376281777 167296976 /nfs/dbraw/zinc/29/69/76/167296976.db2.gz NMPFJKWOHKCPNX-HZPDHXFCSA-N 2 2 345.491 2.370 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000376281777 167296978 /nfs/dbraw/zinc/29/69/78/167296978.db2.gz NMPFJKWOHKCPNX-HZPDHXFCSA-N 2 2 345.491 2.370 10 0 EEAELP CCc1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000274811688 269057159 /nfs/dbraw/zinc/05/71/59/269057159.db2.gz IBXXPEXUZDOTKG-NVXWUHKLSA-N 2 2 327.476 2.378 10 0 EEAELP CCc1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000274811688 269057162 /nfs/dbraw/zinc/05/71/62/269057162.db2.gz IBXXPEXUZDOTKG-NVXWUHKLSA-N 2 2 327.476 2.378 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000272342397 274167774 /nfs/dbraw/zinc/16/77/74/274167774.db2.gz PLXLMOBCWQOFGW-MRXNPFEDSA-N 2 2 339.443 2.358 10 0 EEAELP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278144078 274336979 /nfs/dbraw/zinc/33/69/79/274336979.db2.gz AVDWEDZRIUYTPR-KBPBESRZSA-N 2 2 343.479 2.036 10 0 EEAELP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278144078 274336980 /nfs/dbraw/zinc/33/69/80/274336980.db2.gz AVDWEDZRIUYTPR-KBPBESRZSA-N 2 2 343.479 2.036 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn3cccnc3n2)CC1 ZINC000291470967 275308552 /nfs/dbraw/zinc/30/85/52/275308552.db2.gz PBGGWGWNWKNITN-OAHLLOKOSA-N 2 2 336.443 2.440 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N(Cc3ccccc3)C3CC3)C2)C1 ZINC000292159457 275385989 /nfs/dbraw/zinc/38/59/89/275385989.db2.gz OJFYWOIOYNQFFJ-HXUWFJFHSA-N 2 2 327.472 2.205 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N(Cc3ccccc3)C3CC3)C2)C1 ZINC000292159457 275385990 /nfs/dbraw/zinc/38/59/90/275385990.db2.gz OJFYWOIOYNQFFJ-HXUWFJFHSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N(Cc3ccccc3)C3CC3)C2)C1 ZINC000292159457 275385992 /nfs/dbraw/zinc/38/59/92/275385992.db2.gz OJFYWOIOYNQFFJ-HXUWFJFHSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N(Cc3ccccc3)C3CC3)C2)C1 ZINC000292159457 275385993 /nfs/dbraw/zinc/38/59/93/275385993.db2.gz OJFYWOIOYNQFFJ-HXUWFJFHSA-N 2 2 327.472 2.205 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)[C@H]2CCC[C@H]21 ZINC000453231052 277171865 /nfs/dbraw/zinc/17/18/65/277171865.db2.gz IDEBHFPJMBVBNA-MXASKKJJSA-N 2 2 334.485 2.020 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)[C@H]2CCC[C@H]21 ZINC000453231052 277171866 /nfs/dbraw/zinc/17/18/66/277171866.db2.gz IDEBHFPJMBVBNA-MXASKKJJSA-N 2 2 334.485 2.020 10 0 EEAELP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423455126 288079380 /nfs/dbraw/zinc/07/93/80/288079380.db2.gz BWUNYGXBQNWXFO-CWSCBRNRSA-N 2 2 333.885 2.025 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)cn21 ZINC000247542965 281317446 /nfs/dbraw/zinc/31/74/46/281317446.db2.gz YOWANVKBZFMSCE-GDBMZVCRSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)cn21 ZINC000247542965 281317449 /nfs/dbraw/zinc/31/74/49/281317449.db2.gz YOWANVKBZFMSCE-GDBMZVCRSA-N 2 2 327.432 2.021 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000297554023 294278506 /nfs/dbraw/zinc/27/85/06/294278506.db2.gz VMFGSEGCNGLPRY-OAHLLOKOSA-N 2 2 341.459 2.149 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000297554023 294278509 /nfs/dbraw/zinc/27/85/09/294278509.db2.gz VMFGSEGCNGLPRY-OAHLLOKOSA-N 2 2 341.459 2.149 10 0 EEAELP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000297885482 294365356 /nfs/dbraw/zinc/36/53/56/294365356.db2.gz QRIDNCKHOWHDEJ-SFHVURJKSA-N 2 2 326.444 2.247 10 0 EEAELP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000297885482 294365361 /nfs/dbraw/zinc/36/53/61/294365361.db2.gz QRIDNCKHOWHDEJ-SFHVURJKSA-N 2 2 326.444 2.247 10 0 EEAELP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367994192 302185508 /nfs/dbraw/zinc/18/55/08/302185508.db2.gz JGSMGYYWCPFQAW-UZLBHIALSA-N 2 2 340.471 2.239 10 0 EEAELP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367994192 302185512 /nfs/dbraw/zinc/18/55/12/302185512.db2.gz JGSMGYYWCPFQAW-UZLBHIALSA-N 2 2 340.471 2.239 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000377244032 302322571 /nfs/dbraw/zinc/32/25/71/302322571.db2.gz SIEOCNAZXCLUIW-CRAIPNDOSA-N 2 2 341.459 2.408 10 0 EEAELP FC(F)(F)c1csc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000422813115 303119885 /nfs/dbraw/zinc/11/98/85/303119885.db2.gz XLGKWQKYJCQWBI-GXFFZTMASA-N 2 2 335.395 2.061 10 0 EEAELP Cc1ccc([C@H]([NH2+]C[C@H]([NH3+])CC(C)C)[C@H](C)S(C)(=O)=O)cc1 ZINC000414759937 313078405 /nfs/dbraw/zinc/07/84/05/313078405.db2.gz GGPWRUGVHRJDOQ-USXIJHARSA-N 2 2 326.506 2.432 10 0 EEAELP CC(C)[NH+]1CCC([NH+]2CCN(c3ccnc(C4CC4)n3)CC2)CC1 ZINC000433531066 314780755 /nfs/dbraw/zinc/78/07/55/314780755.db2.gz VFUNRZLHQFQUEC-UHFFFAOYSA-N 2 2 329.492 2.349 10 0 EEAELP C[NH+]1CCC(CNC(=O)C2CC(F)(F)C2)([NH+]2CCCCC2)CC1 ZINC000440543771 315137407 /nfs/dbraw/zinc/13/74/07/315137407.db2.gz OKYIHWYPKBKHQD-UHFFFAOYSA-N 2 2 329.435 2.098 10 0 EEAELP CS(=O)(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000449011677 315409876 /nfs/dbraw/zinc/40/98/76/315409876.db2.gz SOHZYPKHWYQCPW-UHFFFAOYSA-N 2 2 336.501 2.398 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000525991468 317102131 /nfs/dbraw/zinc/10/21/31/317102131.db2.gz OJVRCWSMDOVHCI-UKPHBRMFSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000525991468 317102134 /nfs/dbraw/zinc/10/21/34/317102134.db2.gz OJVRCWSMDOVHCI-UKPHBRMFSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000525991468 317102136 /nfs/dbraw/zinc/10/21/36/317102136.db2.gz OJVRCWSMDOVHCI-UKPHBRMFSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000525991468 317102138 /nfs/dbraw/zinc/10/21/38/317102138.db2.gz OJVRCWSMDOVHCI-UKPHBRMFSA-N 2 2 330.476 2.381 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961781 319132944 /nfs/dbraw/zinc/13/29/44/319132944.db2.gz YWUAZRIVXJKRTJ-ZWKOTPCHSA-N 2 2 340.471 2.240 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961781 319132945 /nfs/dbraw/zinc/13/29/45/319132945.db2.gz YWUAZRIVXJKRTJ-ZWKOTPCHSA-N 2 2 340.471 2.240 10 0 EEAELP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CC(n2cc[nH+]c2)C1 ZINC000566832715 319324140 /nfs/dbraw/zinc/32/41/40/319324140.db2.gz XSUBXLSVIVQLRB-UHFFFAOYSA-N 2 2 344.325 2.099 10 0 EEAELP CC(C)([NH3+])c1nocc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000567124055 319351069 /nfs/dbraw/zinc/35/10/69/319351069.db2.gz XUHUVZDSVAYHSR-UHFFFAOYSA-N 2 2 333.779 2.100 10 0 EEAELP CC[NH2+]CCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000574742433 320052398 /nfs/dbraw/zinc/05/23/98/320052398.db2.gz VAMITBQCPLTAMT-UHFFFAOYSA-N 2 2 338.521 2.137 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000575013208 320079619 /nfs/dbraw/zinc/07/96/19/320079619.db2.gz HLMKXPMDDSSGEA-GJZGRUSLSA-N 2 2 335.496 2.018 10 0 EEAELP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCC(=O)NC3(C)C)[nH+]c2)CC1 ZINC000576291378 320158463 /nfs/dbraw/zinc/15/84/63/320158463.db2.gz SHUYKJFGVPBZFB-INIZCTEOSA-N 2 2 345.491 2.081 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000580164909 324005863 /nfs/dbraw/zinc/00/58/63/324005863.db2.gz YNMBQYXDLQLDSF-UHFFFAOYSA-N 2 2 325.420 2.281 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000580300062 324033663 /nfs/dbraw/zinc/03/36/63/324033663.db2.gz IWKXGKKIQJORDI-LJQANCHMSA-N 2 2 339.443 2.157 10 0 EEAELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1F ZINC000583283833 324631894 /nfs/dbraw/zinc/63/18/94/324631894.db2.gz FAAYXMRSQLCBTG-CJNGLKHVSA-N 2 2 330.407 2.401 10 0 EEAELP CN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)(C)C[NH+]1CCCC1 ZINC000583741528 324722817 /nfs/dbraw/zinc/72/28/17/324722817.db2.gz MXKMCFLEFAFNQX-UHFFFAOYSA-N 2 2 327.432 2.214 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000627077453 451112413 /nfs/dbraw/zinc/11/24/13/451112413.db2.gz CJOXSVHOTFSYBR-LSDHHAIUSA-N 2 2 348.495 2.137 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@H](C)CCCC[NH3+])nc(C(C)C)[nH+]1 ZINC000627093795 451121329 /nfs/dbraw/zinc/12/13/29/451121329.db2.gz TYFJLADXUBQBET-CYBMUJFWSA-N 2 2 336.484 2.137 10 0 EEAELP Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000193286838 465028710 /nfs/dbraw/zinc/02/87/10/465028710.db2.gz XERGEKRUBYMDNT-HOTGVXAUSA-N 2 2 342.443 2.371 10 0 EEAELP Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000193286826 465028733 /nfs/dbraw/zinc/02/87/33/465028733.db2.gz XERGEKRUBYMDNT-CVEARBPZSA-N 2 2 342.443 2.371 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000358661859 465249488 /nfs/dbraw/zinc/24/94/88/465249488.db2.gz IFBPZVTZBLAAGM-IAGOWNOFSA-N 2 2 331.464 2.128 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000358661859 465249491 /nfs/dbraw/zinc/24/94/91/465249491.db2.gz IFBPZVTZBLAAGM-IAGOWNOFSA-N 2 2 331.464 2.128 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000351711753 465309193 /nfs/dbraw/zinc/30/91/93/465309193.db2.gz JJGDHSLFNRKOHG-KRWDZBQOSA-N 2 2 338.879 2.390 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1)C1CC1 ZINC000351711753 465309198 /nfs/dbraw/zinc/30/91/98/465309198.db2.gz JJGDHSLFNRKOHG-KRWDZBQOSA-N 2 2 338.879 2.390 10 0 EEAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000113589269 462604019 /nfs/dbraw/zinc/60/40/19/462604019.db2.gz SKVHEKZVAARJFV-DOTOQJQBSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000113589269 462604027 /nfs/dbraw/zinc/60/40/27/462604027.db2.gz SKVHEKZVAARJFV-DOTOQJQBSA-N 2 2 343.475 2.060 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CCCNC(=O)C(F)(F)F)C2)[nH+]1 ZINC000154845881 462814970 /nfs/dbraw/zinc/81/49/70/462814970.db2.gz ARRHFLRCKZHSMN-ZDUSSCGKSA-N 2 2 344.381 2.192 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCNC(=O)C(F)(F)F)C2)[nH+]1 ZINC000154845881 462814972 /nfs/dbraw/zinc/81/49/72/462814972.db2.gz ARRHFLRCKZHSMN-ZDUSSCGKSA-N 2 2 344.381 2.192 10 0 EEAELP Cc1cc(N2CC[NH+](Cc3c[nH]nc3-c3cccnc3)CC2)nc(C)[nH+]1 ZINC000092703873 462974233 /nfs/dbraw/zinc/97/42/33/462974233.db2.gz PMXSYLSOSGRVON-UHFFFAOYSA-N 2 2 349.442 2.201 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000156389204 463017249 /nfs/dbraw/zinc/01/72/49/463017249.db2.gz YTNBAMNWVRRZJI-OALUTQOASA-N 2 2 338.455 2.396 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000156389204 463017253 /nfs/dbraw/zinc/01/72/53/463017253.db2.gz YTNBAMNWVRRZJI-OALUTQOASA-N 2 2 338.455 2.396 10 0 EEAELP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)NCCn2cc[nH+]c2)c1 ZINC000095395224 463074765 /nfs/dbraw/zinc/07/47/65/463074765.db2.gz UDLKGVVZOYJNCD-SFHVURJKSA-N 2 2 326.444 2.362 10 0 EEAELP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCCn2cc[nH+]c2)c1 ZINC000095395224 463074766 /nfs/dbraw/zinc/07/47/66/463074766.db2.gz UDLKGVVZOYJNCD-SFHVURJKSA-N 2 2 326.444 2.362 10 0 EEAELP Cc1cccc([C@H](C)C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000095423090 463082340 /nfs/dbraw/zinc/08/23/40/463082340.db2.gz QAOGKWBEHNXACL-LJQANCHMSA-N 2 2 345.531 2.485 10 0 EEAELP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000095423090 463082343 /nfs/dbraw/zinc/08/23/43/463082343.db2.gz QAOGKWBEHNXACL-LJQANCHMSA-N 2 2 345.531 2.485 10 0 EEAELP CC1CC[NH+](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000136826591 463260887 /nfs/dbraw/zinc/26/08/87/463260887.db2.gz USRFDOHUUGLOAS-KRWDZBQOSA-N 2 2 347.507 2.116 10 0 EEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000097083913 463317936 /nfs/dbraw/zinc/31/79/36/463317936.db2.gz VYUIOKUVRMNIAD-UHFFFAOYSA-N 2 2 334.786 2.126 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[N@@H+]1C ZINC000123621791 463356157 /nfs/dbraw/zinc/35/61/57/463356157.db2.gz SGCHNCMKYNKSPM-FUHWJXTLSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[N@H+]1C ZINC000123621791 463356159 /nfs/dbraw/zinc/35/61/59/463356159.db2.gz SGCHNCMKYNKSPM-FUHWJXTLSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[NH+]1C ZINC000123621791 463356164 /nfs/dbraw/zinc/35/61/64/463356164.db2.gz SGCHNCMKYNKSPM-FUHWJXTLSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[NH+]1C ZINC000123621791 463356169 /nfs/dbraw/zinc/35/61/69/463356169.db2.gz SGCHNCMKYNKSPM-FUHWJXTLSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123671736 463358887 /nfs/dbraw/zinc/35/88/87/463358887.db2.gz QGBGKKMJERVLRV-ZACQAIPSSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123671736 463358894 /nfs/dbraw/zinc/35/88/94/463358894.db2.gz QGBGKKMJERVLRV-ZACQAIPSSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000553222087 468355955 /nfs/dbraw/zinc/35/59/55/468355955.db2.gz BUWMJQYPLNOIAA-UHFFFAOYSA-N 2 2 330.476 2.027 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000081094782 463394862 /nfs/dbraw/zinc/39/48/62/463394862.db2.gz XRHYJKZEGCLZEG-RDTXWAMCSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000081094782 463394864 /nfs/dbraw/zinc/39/48/64/463394864.db2.gz XRHYJKZEGCLZEG-RDTXWAMCSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000081094782 463394866 /nfs/dbraw/zinc/39/48/66/463394866.db2.gz XRHYJKZEGCLZEG-RDTXWAMCSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000081094782 463394868 /nfs/dbraw/zinc/39/48/68/463394868.db2.gz XRHYJKZEGCLZEG-RDTXWAMCSA-N 2 2 349.475 2.304 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000579562762 468375929 /nfs/dbraw/zinc/37/59/29/468375929.db2.gz AAYXBXGFGNIICT-HNNXBMFYSA-N 2 2 333.480 2.165 10 0 EEAELP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)C1CC1 ZINC000185222449 463780808 /nfs/dbraw/zinc/78/08/08/463780808.db2.gz UOVGIXRPTKCHMV-GOSISDBHSA-N 2 2 330.476 2.030 10 0 EEAELP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)C1CC1 ZINC000185222449 463780813 /nfs/dbraw/zinc/78/08/13/463780813.db2.gz UOVGIXRPTKCHMV-GOSISDBHSA-N 2 2 330.476 2.030 10 0 EEAELP Cc1ccc(CC[N@@H+](Cc2noc(C[NH3+])n2)C[C@@H]2CCCO2)cc1 ZINC000262198312 463970042 /nfs/dbraw/zinc/97/00/42/463970042.db2.gz KEAYOXAZPBRSAS-INIZCTEOSA-N 2 2 330.432 2.060 10 0 EEAELP Cc1ccc(CC[N@H+](Cc2noc(C[NH3+])n2)C[C@@H]2CCCO2)cc1 ZINC000262198312 463970047 /nfs/dbraw/zinc/97/00/47/463970047.db2.gz KEAYOXAZPBRSAS-INIZCTEOSA-N 2 2 330.432 2.060 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)C1CC[NH2+]CC1 ZINC000237772852 464377152 /nfs/dbraw/zinc/37/71/52/464377152.db2.gz AODDYZBOVUSKAY-AWEZNQCLSA-N 2 2 337.414 2.045 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)C1CC[NH2+]CC1 ZINC000237772852 464377160 /nfs/dbraw/zinc/37/71/60/464377160.db2.gz AODDYZBOVUSKAY-AWEZNQCLSA-N 2 2 337.414 2.045 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)OCc3ccccc3)CC2)CCO1 ZINC000181437365 464489581 /nfs/dbraw/zinc/48/95/81/464489581.db2.gz XAGVWOINHNXNMM-QGZVFWFLSA-N 2 2 346.471 2.305 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)OCc3ccccc3)CC2)CCO1 ZINC000181437365 464489585 /nfs/dbraw/zinc/48/95/85/464489585.db2.gz XAGVWOINHNXNMM-QGZVFWFLSA-N 2 2 346.471 2.305 10 0 EEAELP C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1n1cc[nH+]c1 ZINC000272370143 464582100 /nfs/dbraw/zinc/58/21/00/464582100.db2.gz UHNIZYIUFZCUIZ-PBHICJAKSA-N 2 2 336.399 2.187 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281850857 464607605 /nfs/dbraw/zinc/60/76/05/464607605.db2.gz BDLVMGCRJUGDCU-HNNXBMFYSA-N 2 2 327.432 2.212 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(C(N)=O)cs2)C1 ZINC000190479267 464654784 /nfs/dbraw/zinc/65/47/84/464654784.db2.gz QVGBBDANYHDUID-HNNXBMFYSA-N 2 2 344.484 2.196 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(C(N)=O)cs2)C1 ZINC000190479267 464654789 /nfs/dbraw/zinc/65/47/89/464654789.db2.gz QVGBBDANYHDUID-HNNXBMFYSA-N 2 2 344.484 2.196 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000190479267 464654792 /nfs/dbraw/zinc/65/47/92/464654792.db2.gz QVGBBDANYHDUID-HNNXBMFYSA-N 2 2 344.484 2.196 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(C(N)=O)cs2)C1 ZINC000190479267 464654797 /nfs/dbraw/zinc/65/47/97/464654797.db2.gz QVGBBDANYHDUID-HNNXBMFYSA-N 2 2 344.484 2.196 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569002374 468423040 /nfs/dbraw/zinc/42/30/40/468423040.db2.gz BSFVMCBUBKOXEI-PXNSSMCTSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569002374 468423047 /nfs/dbraw/zinc/42/30/47/468423047.db2.gz BSFVMCBUBKOXEI-PXNSSMCTSA-N 2 2 329.488 2.417 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@@H](C)C1 ZINC000348637056 465721814 /nfs/dbraw/zinc/72/18/14/465721814.db2.gz TYLVKSBVYMYLOP-LSDHHAIUSA-N 2 2 349.523 2.318 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@@H](C)C1 ZINC000348637056 465721821 /nfs/dbraw/zinc/72/18/21/465721821.db2.gz TYLVKSBVYMYLOP-LSDHHAIUSA-N 2 2 349.523 2.318 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@@H](C)C1 ZINC000348637056 465721827 /nfs/dbraw/zinc/72/18/27/465721827.db2.gz TYLVKSBVYMYLOP-LSDHHAIUSA-N 2 2 349.523 2.318 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@@H](C)C1 ZINC000348637056 465721834 /nfs/dbraw/zinc/72/18/34/465721834.db2.gz TYLVKSBVYMYLOP-LSDHHAIUSA-N 2 2 349.523 2.318 10 0 EEAELP O=C(CC[NH2+][C@H]1CC[C@H]1C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000338000939 465740126 /nfs/dbraw/zinc/74/01/26/465740126.db2.gz RRJLWJDMECITDK-ROUUACIJSA-N 2 2 342.487 2.289 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366484741 465758623 /nfs/dbraw/zinc/75/86/23/465758623.db2.gz UPIQIGFAEACJIJ-UJFHANGKSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366484741 465758627 /nfs/dbraw/zinc/75/86/27/465758627.db2.gz UPIQIGFAEACJIJ-UJFHANGKSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366484741 465758633 /nfs/dbraw/zinc/75/86/33/465758633.db2.gz UPIQIGFAEACJIJ-UJFHANGKSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366484741 465758634 /nfs/dbraw/zinc/75/86/34/465758634.db2.gz UPIQIGFAEACJIJ-UJFHANGKSA-N 2 2 345.531 2.488 10 0 EEAELP CC1CC[NH+](CC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000353348216 465818246 /nfs/dbraw/zinc/81/82/46/465818246.db2.gz XMMCQBKGKYABOI-UHFFFAOYSA-N 2 2 326.444 2.280 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000357229059 465873418 /nfs/dbraw/zinc/87/34/18/465873418.db2.gz ZNLODVBIMGKFAA-QGZVFWFLSA-N 2 2 347.507 2.362 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000357229059 465873426 /nfs/dbraw/zinc/87/34/26/465873426.db2.gz ZNLODVBIMGKFAA-QGZVFWFLSA-N 2 2 347.507 2.362 10 0 EEAELP O=C(CC[NH2+]C[C@@H]1CCCC[N@H+]1CCO)Nc1ccc(Cl)cc1 ZINC000580074249 468462556 /nfs/dbraw/zinc/46/25/56/468462556.db2.gz LSLUHLYGWLKZIS-INIZCTEOSA-N 2 2 339.867 2.105 10 0 EEAELP O=C(CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)Nc1ccc(Cl)cc1 ZINC000580074249 468462562 /nfs/dbraw/zinc/46/25/62/468462562.db2.gz LSLUHLYGWLKZIS-INIZCTEOSA-N 2 2 339.867 2.105 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353521801 465950097 /nfs/dbraw/zinc/95/00/97/465950097.db2.gz SQGCPYSIVJKRPE-IVAOSVALSA-N 3 2 343.515 2.086 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353521801 465950102 /nfs/dbraw/zinc/95/01/02/465950102.db2.gz SQGCPYSIVJKRPE-IVAOSVALSA-N 3 2 343.515 2.086 10 0 EEAELP C[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353521801 465950116 /nfs/dbraw/zinc/95/01/16/465950116.db2.gz SQGCPYSIVJKRPE-IVAOSVALSA-N 3 2 343.515 2.086 10 0 EEAELP C[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353521801 465950125 /nfs/dbraw/zinc/95/01/25/465950125.db2.gz SQGCPYSIVJKRPE-IVAOSVALSA-N 3 2 343.515 2.086 10 0 EEAELP CCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000346174743 465961847 /nfs/dbraw/zinc/96/18/47/465961847.db2.gz MTYQBHVXNOETSR-CYBMUJFWSA-N 2 2 339.486 2.333 10 0 EEAELP CCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@@H]1CCS(=O)(=O)C1 ZINC000346174743 465961855 /nfs/dbraw/zinc/96/18/55/465961855.db2.gz MTYQBHVXNOETSR-CYBMUJFWSA-N 2 2 339.486 2.333 10 0 EEAELP C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346202457 465988667 /nfs/dbraw/zinc/98/86/67/465988667.db2.gz JEMYNLIRAHNGFO-LBPRGKRZSA-N 2 2 339.486 2.331 10 0 EEAELP C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346202457 465988674 /nfs/dbraw/zinc/98/86/74/465988674.db2.gz JEMYNLIRAHNGFO-LBPRGKRZSA-N 2 2 339.486 2.331 10 0 EEAELP O=S1(=O)CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000346205816 465989605 /nfs/dbraw/zinc/98/96/05/465989605.db2.gz VSWSWGSGTSURSO-MVCQKVDPSA-N 2 2 348.512 2.206 10 0 EEAELP O=S1(=O)CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000346205816 465989615 /nfs/dbraw/zinc/98/96/15/465989615.db2.gz VSWSWGSGTSURSO-MVCQKVDPSA-N 2 2 348.512 2.206 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)C2 ZINC000372446074 466388962 /nfs/dbraw/zinc/38/89/62/466388962.db2.gz MOKFNYHLRNCIQA-OAHLLOKOSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)CC2 ZINC000372446074 466388969 /nfs/dbraw/zinc/38/89/69/466388969.db2.gz MOKFNYHLRNCIQA-OAHLLOKOSA-N 2 2 332.492 2.438 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000367620964 466452881 /nfs/dbraw/zinc/45/28/81/466452881.db2.gz ZFYRYHCICNYDAA-OKZBNKHCSA-N 2 2 336.501 2.194 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000367620964 466452889 /nfs/dbraw/zinc/45/28/89/466452889.db2.gz ZFYRYHCICNYDAA-OKZBNKHCSA-N 2 2 336.501 2.194 10 0 EEAELP Cc1cccc(O[C@H]2CCCC[C@H]2[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000362021598 466489995 /nfs/dbraw/zinc/48/99/95/466489995.db2.gz ZLUPTOOCZKPVBO-MOPGFXCFSA-N 2 2 345.487 2.049 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)on1 ZINC000408524678 466678991 /nfs/dbraw/zinc/67/89/91/466678991.db2.gz XKTADQZJSNAXLZ-AWEZNQCLSA-N 2 2 344.415 2.332 10 0 EEAELP COc1cc(C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)on1 ZINC000408524678 466678995 /nfs/dbraw/zinc/67/89/95/466678995.db2.gz XKTADQZJSNAXLZ-AWEZNQCLSA-N 2 2 344.415 2.332 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000423407665 466742169 /nfs/dbraw/zinc/74/21/69/466742169.db2.gz WGGBHSCYPJGDTA-RNJTYBCJSA-N 2 2 337.895 2.299 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000423407665 466742175 /nfs/dbraw/zinc/74/21/75/466742175.db2.gz WGGBHSCYPJGDTA-RNJTYBCJSA-N 2 2 337.895 2.299 10 0 EEAELP C[C@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000370043757 466765292 /nfs/dbraw/zinc/76/52/92/466765292.db2.gz VNRRHKHQJRNFBV-FCCDEINASA-N 2 2 345.491 2.493 10 0 EEAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423577085 466777099 /nfs/dbraw/zinc/77/70/99/466777099.db2.gz RVFGBSQHUWFIPU-TVQRCGJNSA-N 2 2 329.213 2.154 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)c(C)[nH+]1 ZINC000411315916 466806034 /nfs/dbraw/zinc/80/60/34/466806034.db2.gz JWJPLBVCDBLMOH-UHFFFAOYSA-N 2 2 346.475 2.182 10 0 EEAELP CC[C@H](C)[C@@H](OC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000373535786 466836843 /nfs/dbraw/zinc/83/68/43/466836843.db2.gz MLCQXPKPHJLELX-DLBZAZTESA-N 2 2 339.524 2.114 10 0 EEAELP O=C(NCc1[nH+]ccn1CCCc1ccccc1)NC[C@H]1CCC[NH2+]1 ZINC000417844625 466953905 /nfs/dbraw/zinc/95/39/05/466953905.db2.gz OETANVUHLPLBSP-QGZVFWFLSA-N 2 2 341.459 2.067 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374198104 467031900 /nfs/dbraw/zinc/03/19/00/467031900.db2.gz HEBCBFQSAPVEOA-CYBMUJFWSA-N 2 2 330.407 2.433 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427845830 467182722 /nfs/dbraw/zinc/18/27/22/467182722.db2.gz GAZVXTSBHCWMST-KDOFPFPSSA-N 2 2 327.428 2.379 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427845830 467182725 /nfs/dbraw/zinc/18/27/25/467182725.db2.gz GAZVXTSBHCWMST-KDOFPFPSSA-N 2 2 327.428 2.379 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433066753 467288726 /nfs/dbraw/zinc/28/87/26/467288726.db2.gz KSJQMPLGSXOSAH-FCCDEINASA-N 2 2 342.487 2.287 10 0 EEAELP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433326170 467318504 /nfs/dbraw/zinc/31/85/04/467318504.db2.gz MHSUAXYLEJRZOR-NSHDSACASA-N 2 2 336.427 2.278 10 0 EEAELP Cc1c([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)nnn1-c1ccc(F)cc1 ZINC000414120732 467378877 /nfs/dbraw/zinc/37/88/77/467378877.db2.gz DQZDRPQWYYQQFY-GFCCVEGCSA-N 2 2 328.395 2.342 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420374880 467383600 /nfs/dbraw/zinc/38/36/00/467383600.db2.gz OCGQIYSCRZMHHG-LJQANCHMSA-N 2 2 347.528 2.279 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420374880 467383601 /nfs/dbraw/zinc/38/36/01/467383601.db2.gz OCGQIYSCRZMHHG-LJQANCHMSA-N 2 2 347.528 2.279 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407454 467397740 /nfs/dbraw/zinc/39/77/40/467397740.db2.gz VJQBFMWLWLYAPA-GJZGRUSLSA-N 2 2 349.441 2.497 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407454 467397743 /nfs/dbraw/zinc/39/77/43/467397743.db2.gz VJQBFMWLWLYAPA-GJZGRUSLSA-N 2 2 349.441 2.497 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454280272 467581359 /nfs/dbraw/zinc/58/13/59/467581359.db2.gz ZQZZCRUOVUKOQD-MRXNPFEDSA-N 2 2 335.496 2.459 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(-c2ccccc2)n1 ZINC000449389073 467635820 /nfs/dbraw/zinc/63/58/20/467635820.db2.gz BVOAMCLTUAMOQE-SFHVURJKSA-N 2 2 328.460 2.024 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(-c2ccccc2)n1 ZINC000449389073 467635822 /nfs/dbraw/zinc/63/58/22/467635822.db2.gz BVOAMCLTUAMOQE-SFHVURJKSA-N 2 2 328.460 2.024 10 0 EEAELP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389252 467635926 /nfs/dbraw/zinc/63/59/26/467635926.db2.gz CHULRVUXIMTJBB-IBGZPJMESA-N 2 2 328.460 2.117 10 0 EEAELP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389252 467635927 /nfs/dbraw/zinc/63/59/27/467635927.db2.gz CHULRVUXIMTJBB-IBGZPJMESA-N 2 2 328.460 2.117 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000449492144 467652191 /nfs/dbraw/zinc/65/21/91/467652191.db2.gz IOUIKXAEEKMQDR-AEFFLSMTSA-N 2 2 340.508 2.445 10 0 EEAELP C[N@H+](C[C@H](O)CC1(O)CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000528517015 467692537 /nfs/dbraw/zinc/69/25/37/467692537.db2.gz LSFQVYYIKQQWKQ-CQSZACIVSA-N 2 2 338.414 2.001 10 0 EEAELP C[N@@H+](C[C@H](O)CC1(O)CCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000528517015 467692541 /nfs/dbraw/zinc/69/25/41/467692541.db2.gz LSFQVYYIKQQWKQ-CQSZACIVSA-N 2 2 338.414 2.001 10 0 EEAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000458370011 467816938 /nfs/dbraw/zinc/81/69/38/467816938.db2.gz FYHIZHHQVVLUPF-HNNXBMFYSA-N 2 2 335.496 2.162 10 0 EEAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000458370011 467816941 /nfs/dbraw/zinc/81/69/41/467816941.db2.gz FYHIZHHQVVLUPF-HNNXBMFYSA-N 2 2 335.496 2.162 10 0 EEAELP C[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000529347016 467851071 /nfs/dbraw/zinc/85/10/71/467851071.db2.gz CRINXKVEKGYLDR-HNNXBMFYSA-N 2 2 344.484 2.199 10 0 EEAELP C[N@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3)s2)[C@@H](C[NH3+])C1 ZINC000529347016 467851073 /nfs/dbraw/zinc/85/10/73/467851073.db2.gz CRINXKVEKGYLDR-HNNXBMFYSA-N 2 2 344.484 2.199 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529643190 467890771 /nfs/dbraw/zinc/89/07/71/467890771.db2.gz WMAVWGGUHAJTPO-MRXNPFEDSA-N 2 2 341.455 2.279 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529643190 467890773 /nfs/dbraw/zinc/89/07/73/467890773.db2.gz WMAVWGGUHAJTPO-MRXNPFEDSA-N 2 2 341.455 2.279 10 0 EEAELP Cc1cc(C)c(CNC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c[nH+]1 ZINC000459071539 467945794 /nfs/dbraw/zinc/94/57/94/467945794.db2.gz HGVYNZZAORIWPA-GOSISDBHSA-N 2 2 346.475 2.095 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567653778 468177113 /nfs/dbraw/zinc/17/71/13/468177113.db2.gz VRMYRGBEKKNBMJ-GOEBONIOSA-N 2 2 339.842 2.470 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567653778 468177116 /nfs/dbraw/zinc/17/71/16/468177116.db2.gz VRMYRGBEKKNBMJ-GOEBONIOSA-N 2 2 339.842 2.470 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)cn2c1 ZINC000567774044 468207479 /nfs/dbraw/zinc/20/74/79/468207479.db2.gz MJUOJQWNBCAOOZ-MRXNPFEDSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)cn2c1 ZINC000567774044 468207486 /nfs/dbraw/zinc/20/74/86/468207486.db2.gz MJUOJQWNBCAOOZ-MRXNPFEDSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@H](C)S(C)(=O)=O)c(C)c1 ZINC000578759830 468253707 /nfs/dbraw/zinc/25/37/07/468253707.db2.gz MDZDUKOZPWCIDJ-DOTOQJQBSA-N 2 2 335.473 2.264 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600716978 468631981 /nfs/dbraw/zinc/63/19/81/468631981.db2.gz NWWRWZOQVFOSTN-KSTDHSDQSA-N 2 2 337.464 2.124 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592393054 468688359 /nfs/dbraw/zinc/68/83/59/468688359.db2.gz CNZJCMPSHMATEH-ZBFHGGJFSA-N 2 2 338.492 2.197 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592393054 468688367 /nfs/dbraw/zinc/68/83/67/468688367.db2.gz CNZJCMPSHMATEH-ZBFHGGJFSA-N 2 2 338.492 2.197 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)nc2ccccc12 ZINC000583523125 468710696 /nfs/dbraw/zinc/71/06/96/468710696.db2.gz NDRAQHYZCPZCKX-UHFFFAOYSA-N 2 2 329.492 2.254 10 0 EEAELP Cc1nc(C[N@H+](C)CCCN(C)CC[NH+](C)C)nc2ccccc12 ZINC000583523125 468710702 /nfs/dbraw/zinc/71/07/02/468710702.db2.gz NDRAQHYZCPZCKX-UHFFFAOYSA-N 2 2 329.492 2.254 10 0 EEAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000560498974 468820785 /nfs/dbraw/zinc/82/07/85/468820785.db2.gz PQXHRYXZYJXXFV-YJBOKZPZSA-N 2 2 341.459 2.097 10 0 EEAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000560498974 468820790 /nfs/dbraw/zinc/82/07/90/468820790.db2.gz PQXHRYXZYJXXFV-YJBOKZPZSA-N 2 2 341.459 2.097 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573207423 469083251 /nfs/dbraw/zinc/08/32/51/469083251.db2.gz VFCMEWLFXWTJBE-OXQOHEQNSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573207423 469083257 /nfs/dbraw/zinc/08/32/57/469083257.db2.gz VFCMEWLFXWTJBE-OXQOHEQNSA-N 2 2 327.472 2.430 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000599307790 469204202 /nfs/dbraw/zinc/20/42/02/469204202.db2.gz ZNCWDLIJABFTEI-NEWSRXKRSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000599307790 469204204 /nfs/dbraw/zinc/20/42/04/469204204.db2.gz ZNCWDLIJABFTEI-NEWSRXKRSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000599307790 469204207 /nfs/dbraw/zinc/20/42/07/469204207.db2.gz ZNCWDLIJABFTEI-NEWSRXKRSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000599307790 469204211 /nfs/dbraw/zinc/20/42/11/469204211.db2.gz ZNCWDLIJABFTEI-NEWSRXKRSA-N 2 2 348.487 2.285 10 0 EEAELP CC[C@@H](C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)[NH+](C)C ZINC000629386217 469526983 /nfs/dbraw/zinc/52/69/83/469526983.db2.gz NKVSCPBKDXOBJE-SFHVURJKSA-N 2 2 328.460 2.152 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000629390631 469529974 /nfs/dbraw/zinc/52/99/74/469529974.db2.gz JHVHZKWFWATWJS-LSDHHAIUSA-N 2 2 328.416 2.078 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000617014535 469572249 /nfs/dbraw/zinc/57/22/49/469572249.db2.gz LMFUPUCVQMGOBV-GOSISDBHSA-N 2 2 345.487 2.121 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000617014535 469572252 /nfs/dbraw/zinc/57/22/52/469572252.db2.gz LMFUPUCVQMGOBV-GOSISDBHSA-N 2 2 345.487 2.121 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000629527004 469572724 /nfs/dbraw/zinc/57/27/24/469572724.db2.gz HKGRLMSYEJMMOB-MLHJIOFPSA-N 2 2 337.895 2.442 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000629527004 469572725 /nfs/dbraw/zinc/57/27/25/469572725.db2.gz HKGRLMSYEJMMOB-MLHJIOFPSA-N 2 2 337.895 2.442 10 0 EEAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000623254020 469598141 /nfs/dbraw/zinc/59/81/41/469598141.db2.gz ADHGSPGXPYVLTN-WBVHZDCISA-N 2 2 344.846 2.242 10 0 EEAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000623254020 469598148 /nfs/dbraw/zinc/59/81/48/469598148.db2.gz ADHGSPGXPYVLTN-WBVHZDCISA-N 2 2 344.846 2.242 10 0 EEAELP C[C@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000606582159 469620183 /nfs/dbraw/zinc/62/01/83/469620183.db2.gz FDCORRRESLVJIQ-KBPBESRZSA-N 2 2 345.447 2.344 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)CC2 ZINC000623914265 469794228 /nfs/dbraw/zinc/79/42/28/469794228.db2.gz SKNMMMLHBVKDJR-DZGCQCFKSA-N 2 2 332.473 2.235 10 0 EEAELP Cc1cccc2c(CCC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c[nH]c21 ZINC000617766549 469797566 /nfs/dbraw/zinc/79/75/66/469797566.db2.gz OTGRCKDNWKNLBG-UHFFFAOYSA-N 2 2 344.503 2.409 10 0 EEAELP Cc1cccc2c(CCC(=O)NCC[N@H+](C)CCC[NH+](C)C)c[nH]c21 ZINC000617766549 469797568 /nfs/dbraw/zinc/79/75/68/469797568.db2.gz OTGRCKDNWKNLBG-UHFFFAOYSA-N 2 2 344.503 2.409 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000627135028 469821838 /nfs/dbraw/zinc/82/18/38/469821838.db2.gz LWHSOXJNDRFGRQ-KRWDZBQOSA-N 2 2 338.411 2.432 10 0 EEAELP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000627167251 469832017 /nfs/dbraw/zinc/83/20/17/469832017.db2.gz ALDGNICUKJNJFS-QGZVFWFLSA-N 2 2 332.492 2.478 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)CC2 ZINC000624083774 469835934 /nfs/dbraw/zinc/83/59/34/469835934.db2.gz BXMWNJXRQQAGGC-DLBZAZTESA-N 2 2 332.492 2.381 10 0 EEAELP C[C@H](CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000608652318 469853527 /nfs/dbraw/zinc/85/35/27/469853527.db2.gz JLNKIMMADGRURC-MRXNPFEDSA-N 2 2 336.524 2.282 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000627240964 469854277 /nfs/dbraw/zinc/85/42/77/469854277.db2.gz GJPLSGLFNLEOOW-LIRZEXBASA-N 2 2 339.443 2.161 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614376729 469923976 /nfs/dbraw/zinc/92/39/76/469923976.db2.gz KEBIWAMEQYSNQY-HOCLYGCPSA-N 2 2 330.476 2.428 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614376729 469923980 /nfs/dbraw/zinc/92/39/80/469923980.db2.gz KEBIWAMEQYSNQY-HOCLYGCPSA-N 2 2 330.476 2.428 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614376729 469923984 /nfs/dbraw/zinc/92/39/84/469923984.db2.gz KEBIWAMEQYSNQY-HOCLYGCPSA-N 2 2 330.476 2.428 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614376729 469923990 /nfs/dbraw/zinc/92/39/90/469923990.db2.gz KEBIWAMEQYSNQY-HOCLYGCPSA-N 2 2 330.476 2.428 10 0 EEAELP Cc1[nH+]ccc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)c1Cl ZINC000624708651 470006722 /nfs/dbraw/zinc/00/67/22/470006722.db2.gz VFKRCNBUBCJIDG-HNNXBMFYSA-N 2 2 332.835 2.173 10 0 EEAELP Cc1[nH+]ccc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)c1Cl ZINC000624708651 470006725 /nfs/dbraw/zinc/00/67/25/470006725.db2.gz VFKRCNBUBCJIDG-HNNXBMFYSA-N 2 2 332.835 2.173 10 0 EEAELP Cc1scc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1C ZINC000631111508 470071485 /nfs/dbraw/zinc/07/14/85/470071485.db2.gz PLKODGSGXSWXEF-OAHLLOKOSA-N 2 2 332.473 2.379 10 0 EEAELP CN(C(=O)c1coc(C(F)F)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625501183 470156642 /nfs/dbraw/zinc/15/66/42/470156642.db2.gz DSAZSHQSZADIDH-CQSZACIVSA-N 2 2 341.402 2.458 10 0 EEAELP CN(C(=O)c1coc(C(F)F)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625501183 470156644 /nfs/dbraw/zinc/15/66/44/470156644.db2.gz DSAZSHQSZADIDH-CQSZACIVSA-N 2 2 341.402 2.458 10 0 EEAELP COc1ccc(CN(C(=O)C[N@@H+]2CCCCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000631832220 470186287 /nfs/dbraw/zinc/18/62/87/470186287.db2.gz BOVADIPNACBKFM-KRWDZBQOSA-N 2 2 345.487 2.390 10 0 EEAELP COc1ccc(CN(C(=O)C[N@H+]2CCCCC[C@H]([NH3+])C2)C2CC2)cc1 ZINC000631832220 470186288 /nfs/dbraw/zinc/18/62/88/470186288.db2.gz BOVADIPNACBKFM-KRWDZBQOSA-N 2 2 345.487 2.390 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC12CC3CC(CC(C3)C1)C2 ZINC000631885018 470189184 /nfs/dbraw/zinc/18/91/84/470189184.db2.gz SFZFAJPHSZXUIB-ZBLKQVMWSA-N 2 2 331.504 2.145 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NC12CC3CC(CC(C3)C1)C2 ZINC000631885018 470189185 /nfs/dbraw/zinc/18/91/85/470189185.db2.gz SFZFAJPHSZXUIB-ZBLKQVMWSA-N 2 2 331.504 2.145 10 0 EEAELP CC(=O)CCC(C)(C)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000634196172 470230673 /nfs/dbraw/zinc/23/06/73/470230673.db2.gz NUOIDQRCXGMREX-UHFFFAOYSA-N 2 2 332.448 2.167 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000634636797 470272262 /nfs/dbraw/zinc/27/22/62/470272262.db2.gz KDJZGWXRWTYFBA-UFYCRDLUSA-N 2 2 332.488 2.325 10 0 EEAELP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649182 470274834 /nfs/dbraw/zinc/27/48/34/470274834.db2.gz ILAOJWSLVKGVGL-AZUAARDMSA-N 2 2 331.504 2.086 10 0 EEAELP CC(C)(C)N1CC[C@H]1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649182 470274835 /nfs/dbraw/zinc/27/48/35/470274835.db2.gz ILAOJWSLVKGVGL-AZUAARDMSA-N 2 2 331.504 2.086 10 0 EEAELP CC1(C)CCC[N@@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633368095 470441201 /nfs/dbraw/zinc/44/12/01/470441201.db2.gz OYYHCQGZQKQFMK-UHFFFAOYSA-N 2 2 326.444 2.405 10 0 EEAELP CC1(C)CCC[N@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633368095 470441205 /nfs/dbraw/zinc/44/12/05/470441205.db2.gz OYYHCQGZQKQFMK-UHFFFAOYSA-N 2 2 326.444 2.405 10 0 EEAELP Cn1ncnc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000639330913 470469490 /nfs/dbraw/zinc/46/94/90/470469490.db2.gz YLEMWXWYLZCYNO-QGZVFWFLSA-N 2 2 325.460 2.207 10 0 EEAELP Cn1ncnc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000639330913 470469493 /nfs/dbraw/zinc/46/94/93/470469493.db2.gz YLEMWXWYLZCYNO-QGZVFWFLSA-N 2 2 325.460 2.207 10 0 EEAELP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000645964244 470476914 /nfs/dbraw/zinc/47/69/14/470476914.db2.gz WLWAVAIRIAYCMI-LRDDRELGSA-N 2 2 337.414 2.043 10 0 EEAELP CC1(C)C[NH2+][C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000645964244 470476919 /nfs/dbraw/zinc/47/69/19/470476919.db2.gz WLWAVAIRIAYCMI-LRDDRELGSA-N 2 2 337.414 2.043 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901732 471011980 /nfs/dbraw/zinc/01/19/80/471011980.db2.gz UMOPWXXWFOIKCL-BQFCYCMXSA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901732 471011982 /nfs/dbraw/zinc/01/19/82/471011982.db2.gz UMOPWXXWFOIKCL-BQFCYCMXSA-N 2 2 345.487 2.336 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957126 471026664 /nfs/dbraw/zinc/02/66/64/471026664.db2.gz SMBSHKVWLWKGDJ-MJGOQNOKSA-N 2 2 331.460 2.488 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957126 471026670 /nfs/dbraw/zinc/02/66/70/471026670.db2.gz SMBSHKVWLWKGDJ-MJGOQNOKSA-N 2 2 331.460 2.488 10 0 EEAELP C[NH+](C)C1(CNCc2ccnn2-c2cc[nH+]cc2)Cc2ccccc2C1 ZINC000657375432 471118043 /nfs/dbraw/zinc/11/80/43/471118043.db2.gz YUXDUEHGZKZIKD-UHFFFAOYSA-N 2 2 347.466 2.456 10 0 EEAELP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657390309 471124022 /nfs/dbraw/zinc/12/40/22/471124022.db2.gz WFENYNRLCVGCDF-UHFFFAOYSA-N 2 2 340.471 2.076 10 0 EEAELP Fc1cncc(Br)c1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000657440492 471137089 /nfs/dbraw/zinc/13/70/89/471137089.db2.gz SZDZHGVCVVTFGZ-VIFPVBQESA-N 2 2 325.185 2.284 10 0 EEAELP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000645197428 471172222 /nfs/dbraw/zinc/17/22/22/471172222.db2.gz ICPPRQIKPLGXBA-QGZVFWFLSA-N 2 2 342.418 2.292 10 0 EEAELP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000645197428 471172228 /nfs/dbraw/zinc/17/22/28/471172228.db2.gz ICPPRQIKPLGXBA-QGZVFWFLSA-N 2 2 342.418 2.292 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000651495042 471188338 /nfs/dbraw/zinc/18/83/38/471188338.db2.gz YRPHITVJUXXQDT-GDBMZVCRSA-N 2 2 327.432 2.068 10 0 EEAELP C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CS1(=O)=O ZINC000657637338 471195296 /nfs/dbraw/zinc/19/52/96/471195296.db2.gz HIRXGGSKQKTIOZ-GOEBONIOSA-N 2 2 328.522 2.339 10 0 EEAELP c1ccc(N2CCC([NH2+]Cc3ccc(-c4nncnn4)cc3)CC2)[nH+]c1 ZINC000652034386 471211809 /nfs/dbraw/zinc/21/18/09/471211809.db2.gz OIRGBXZSCMLWHH-UHFFFAOYSA-N 2 2 347.426 2.087 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H]3CCCn4nccc43)c2cc1C ZINC000657917940 471248449 /nfs/dbraw/zinc/24/84/49/471248449.db2.gz MKDDESBSCBXXAT-JKSUJKDBSA-N 2 2 339.443 2.335 10 0 EEAELP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652379664 471282723 /nfs/dbraw/zinc/28/27/23/471282723.db2.gz BZRCXCZXHRBCGA-INIZCTEOSA-N 2 2 332.492 2.389 10 0 EEAELP CCN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CC[N@H+](C)C1 ZINC000663556373 471425372 /nfs/dbraw/zinc/42/53/72/471425372.db2.gz FDVJQRCDMQEYOU-CQSZACIVSA-N 2 2 335.839 2.223 10 0 EEAELP CCN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CC[N@@H+](C)C1 ZINC000663556373 471425375 /nfs/dbraw/zinc/42/53/75/471425375.db2.gz FDVJQRCDMQEYOU-CQSZACIVSA-N 2 2 335.839 2.223 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)([NH+]2CCCCC2)CC1 ZINC000669252642 471432376 /nfs/dbraw/zinc/43/23/76/471432376.db2.gz OCXGJOVXAXNFBA-RCCFBDPRSA-N 2 2 333.520 2.489 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]C3(CCO)CCCC3)c2cc1C ZINC000660679431 471442699 /nfs/dbraw/zinc/44/26/99/471442699.db2.gz BAKFXMLLMUMWMO-INIZCTEOSA-N 2 2 331.460 2.299 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660734042 471464532 /nfs/dbraw/zinc/46/45/32/471464532.db2.gz GBXCPOFXCKXUSG-KRWDZBQOSA-N 2 2 347.507 2.460 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660734042 471464537 /nfs/dbraw/zinc/46/45/37/471464537.db2.gz GBXCPOFXCKXUSG-KRWDZBQOSA-N 2 2 347.507 2.460 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1OCc1ccccc1 ZINC000653074277 471474547 /nfs/dbraw/zinc/47/45/47/471474547.db2.gz BYBCQQGDAWTHPK-GOSISDBHSA-N 2 2 341.455 2.161 10 0 EEAELP FC1(F)Oc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2O1 ZINC000655779245 471479597 /nfs/dbraw/zinc/47/95/97/471479597.db2.gz GSUHDSUOTUHSAC-CQSZACIVSA-N 2 2 340.370 2.351 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663735920 471496469 /nfs/dbraw/zinc/49/64/69/471496469.db2.gz HTFXSAFKAKFMOC-KRWDZBQOSA-N 2 2 334.508 2.109 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663735920 471496474 /nfs/dbraw/zinc/49/64/74/471496474.db2.gz HTFXSAFKAKFMOC-KRWDZBQOSA-N 2 2 334.508 2.109 10 0 EEAELP COc1ccc(C(C)C)cc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000655937891 471550922 /nfs/dbraw/zinc/55/09/22/471550922.db2.gz GWQPIFXXDSYBNG-GOSISDBHSA-N 2 2 345.487 2.215 10 0 EEAELP COc1ccc(C(C)C)cc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000655937891 471550926 /nfs/dbraw/zinc/55/09/26/471550926.db2.gz GWQPIFXXDSYBNG-GOSISDBHSA-N 2 2 345.487 2.215 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1[nH+]ccn1C ZINC000660959474 471567513 /nfs/dbraw/zinc/56/75/13/471567513.db2.gz PBGAEXGZFZDVFR-BPUTZDHNSA-N 2 2 327.432 2.226 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1[nH+]ccn1C ZINC000660959474 471567516 /nfs/dbraw/zinc/56/75/16/471567516.db2.gz PBGAEXGZFZDVFR-BPUTZDHNSA-N 2 2 327.432 2.226 10 0 EEAELP C[C@@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000656149061 471606507 /nfs/dbraw/zinc/60/65/07/471606507.db2.gz SQDKRLDXQJLECG-HUUCEWRRSA-N 2 2 333.480 2.234 10 0 EEAELP C[C@@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000656149061 471606514 /nfs/dbraw/zinc/60/65/14/471606514.db2.gz SQDKRLDXQJLECG-HUUCEWRRSA-N 2 2 333.480 2.234 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CSc2ccccc21 ZINC000664167057 471662367 /nfs/dbraw/zinc/66/23/67/471662367.db2.gz XDPQRSNLNAJWOA-HNNXBMFYSA-N 2 2 336.505 2.016 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CSc2ccccc21 ZINC000664167057 471662370 /nfs/dbraw/zinc/66/23/70/471662370.db2.gz XDPQRSNLNAJWOA-HNNXBMFYSA-N 2 2 336.505 2.016 10 0 EEAELP CC(C)[C@H](CNC(=O)Nc1cc[nH+]cc1N(C)C)[NH+]1CCC(C)CC1 ZINC000670081466 471673185 /nfs/dbraw/zinc/67/31/85/471673185.db2.gz VVOQAXYBIXDNSQ-KRWDZBQOSA-N 2 2 347.507 2.448 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1[nH+]ccn1C ZINC000667248258 471708360 /nfs/dbraw/zinc/70/83/60/471708360.db2.gz UUWSCVARSWOJDF-OAHLLOKOSA-N 2 2 327.432 2.009 10 0 EEAELP Cc1cc([C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000664354286 471728521 /nfs/dbraw/zinc/72/85/21/471728521.db2.gz ZYQRDIIQUOIDLD-OAHLLOKOSA-N 2 2 338.471 2.378 10 0 EEAELP Cc1cc([C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000664354286 471728524 /nfs/dbraw/zinc/72/85/24/471728524.db2.gz ZYQRDIIQUOIDLD-OAHLLOKOSA-N 2 2 338.471 2.378 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805064 471748159 /nfs/dbraw/zinc/74/81/59/471748159.db2.gz ASKPHBCIHZELAL-QGZVFWFLSA-N 2 2 328.460 2.122 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805064 471748162 /nfs/dbraw/zinc/74/81/62/471748162.db2.gz ASKPHBCIHZELAL-QGZVFWFLSA-N 2 2 328.460 2.122 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661630235 471833803 /nfs/dbraw/zinc/83/38/03/471833803.db2.gz ZEZFKKWOIBNBHU-MGPQQGTHSA-N 2 2 342.443 2.352 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@](O)(C4CC4)C3)c2cc1C ZINC000661631632 471834868 /nfs/dbraw/zinc/83/48/68/471834868.db2.gz GZTSPNUVMYLVMI-PXNSSMCTSA-N 2 2 343.471 2.251 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@](O)(C4CC4)C3)c2cc1C ZINC000661631632 471834871 /nfs/dbraw/zinc/83/48/71/471834871.db2.gz GZTSPNUVMYLVMI-PXNSSMCTSA-N 2 2 343.471 2.251 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667671703 471862591 /nfs/dbraw/zinc/86/25/91/471862591.db2.gz YZAPUDXYJOAZCJ-ZDUSSCGKSA-N 2 2 346.397 2.351 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667671703 471862593 /nfs/dbraw/zinc/86/25/93/471862593.db2.gz YZAPUDXYJOAZCJ-ZDUSSCGKSA-N 2 2 346.397 2.351 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC1CC(c2ccccc2)C1 ZINC000664848013 471878765 /nfs/dbraw/zinc/87/87/65/471878765.db2.gz ZIBHEJASQZVVGA-UHFFFAOYSA-N 2 2 346.519 2.363 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC1CC(c2ccccc2)C1 ZINC000664848013 471878771 /nfs/dbraw/zinc/87/87/71/471878771.db2.gz ZIBHEJASQZVVGA-UHFFFAOYSA-N 2 2 346.519 2.363 10 0 EEAELP O[C@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000661828185 471896316 /nfs/dbraw/zinc/89/63/16/471896316.db2.gz ROHNXFYTEHASJJ-OALUTQOASA-N 2 2 329.488 2.092 10 0 EEAELP c1cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667968065 471966804 /nfs/dbraw/zinc/96/68/04/471966804.db2.gz DZTQBSUTOMGQGX-MRXNPFEDSA-N 2 2 342.443 2.285 10 0 EEAELP CN(C)c1noc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271748 472052120 /nfs/dbraw/zinc/05/21/20/472052120.db2.gz YTXUIYWWFUWHLT-SJORKVTESA-N 2 2 343.475 2.308 10 0 EEAELP CN(C)c1noc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271748 472052124 /nfs/dbraw/zinc/05/21/24/472052124.db2.gz YTXUIYWWFUWHLT-SJORKVTESA-N 2 2 343.475 2.308 10 0 EEAELP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316067 472067497 /nfs/dbraw/zinc/06/74/97/472067497.db2.gz HYIHWGFIBKJYAV-SFHVURJKSA-N 2 2 341.540 2.170 10 0 EEAELP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316067 472067502 /nfs/dbraw/zinc/06/75/02/472067502.db2.gz HYIHWGFIBKJYAV-SFHVURJKSA-N 2 2 341.540 2.170 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320312 472068474 /nfs/dbraw/zinc/06/84/74/472068474.db2.gz STHZGWIVAQDLLF-SJLPKXTDSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320312 472068481 /nfs/dbraw/zinc/06/84/81/472068481.db2.gz STHZGWIVAQDLLF-SJLPKXTDSA-N 2 2 345.487 2.007 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CCO1 ZINC000662319108 472069424 /nfs/dbraw/zinc/06/94/24/472069424.db2.gz DLSZBTKBJVHBIT-RTBURBONSA-N 2 2 345.487 2.225 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CCO1 ZINC000662319108 472069430 /nfs/dbraw/zinc/06/94/30/472069430.db2.gz DLSZBTKBJVHBIT-RTBURBONSA-N 2 2 345.487 2.225 10 0 EEAELP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)C1 ZINC000668738807 472247934 /nfs/dbraw/zinc/24/79/34/472247934.db2.gz GRFZJJIBOWYXQA-INIZCTEOSA-N 2 2 344.434 2.247 10 0 EEAELP O[C@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)C1 ZINC000668738807 472247939 /nfs/dbraw/zinc/24/79/39/472247939.db2.gz GRFZJJIBOWYXQA-INIZCTEOSA-N 2 2 344.434 2.247 10 0 EEAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000673652431 485487601 /nfs/dbraw/zinc/48/76/01/485487601.db2.gz KDXIHUNEGMPMNM-KRWDZBQOSA-N 2 2 339.443 2.175 10 0 EEAELP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000673652431 485487608 /nfs/dbraw/zinc/48/76/08/485487608.db2.gz KDXIHUNEGMPMNM-KRWDZBQOSA-N 2 2 339.443 2.175 10 0 EEAELP Cc1c(F)cccc1-c1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)o1 ZINC000674237078 485667729 /nfs/dbraw/zinc/66/77/29/485667729.db2.gz CYYBZBYSBZTATG-UHFFFAOYSA-N 2 2 345.418 2.258 10 0 EEAELP COC[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000674466774 485736016 /nfs/dbraw/zinc/73/60/16/485736016.db2.gz NQQXFOSYTHVQSF-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP COC[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000674466774 485736023 /nfs/dbraw/zinc/73/60/23/485736023.db2.gz NQQXFOSYTHVQSF-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000680270054 485926721 /nfs/dbraw/zinc/92/67/21/485926721.db2.gz ODWHMVVJLRJQGH-GUDVDZBRSA-N 2 2 338.455 2.300 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680270054 485926728 /nfs/dbraw/zinc/92/67/28/485926728.db2.gz ODWHMVVJLRJQGH-GUDVDZBRSA-N 2 2 338.455 2.300 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000675689814 486047051 /nfs/dbraw/zinc/04/70/51/486047051.db2.gz FUTOEXHXESSKTO-HZPDHXFCSA-N 2 2 343.431 2.099 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000673041279 486260665 /nfs/dbraw/zinc/26/06/65/486260665.db2.gz ITJMZDMWJLJMTG-RDJZCZTQSA-N 2 2 332.835 2.178 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000673041279 486260671 /nfs/dbraw/zinc/26/06/71/486260671.db2.gz ITJMZDMWJLJMTG-RDJZCZTQSA-N 2 2 332.835 2.178 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(F)cc1 ZINC000673341068 486312497 /nfs/dbraw/zinc/31/24/97/486312497.db2.gz TUQHQOLSJKPBEU-KRWDZBQOSA-N 2 2 344.434 2.320 10 0 EEAELP Fc1cccn2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)nc12 ZINC000678224315 486594055 /nfs/dbraw/zinc/59/40/55/486594055.db2.gz ZSPHQBRPDMUJMJ-UHFFFAOYSA-N 2 2 346.450 2.408 10 0 EEAELP CC(C)[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000446727878 535198789 /nfs/dbraw/zinc/19/87/89/535198789.db2.gz GELRNQPBFJAPCP-KRWDZBQOSA-N 2 2 330.476 2.098 10 0 EEAELP CC(C)[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000446727878 535198793 /nfs/dbraw/zinc/19/87/93/535198793.db2.gz GELRNQPBFJAPCP-KRWDZBQOSA-N 2 2 330.476 2.098 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000458067536 535671959 /nfs/dbraw/zinc/67/19/59/535671959.db2.gz KJDVPCAJIMWLDN-CQSZACIVSA-N 2 2 333.436 2.378 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCN2CCCC2=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422773865 536929835 /nfs/dbraw/zinc/92/98/35/536929835.db2.gz UZUVIMXUWUBECO-HKUYNNGSSA-N 2 2 331.460 2.090 10 0 EEAELP COc1ccccc1OC[C@H](C)C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423021475 537098232 /nfs/dbraw/zinc/09/82/32/537098232.db2.gz FFJMZCJZMLEZIV-NIKGAXFTSA-N 2 2 334.460 2.067 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NCc1cccnc1-n1cc[nH+]c1 ZINC000729311582 576628049 /nfs/dbraw/zinc/62/80/49/576628049.db2.gz KMCSJUGFZIXUOQ-UHFFFAOYSA-N 2 2 327.432 2.150 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177440465 675911816 /nfs/dbraw/zinc/91/18/16/675911816.db2.gz SXIAYHOISFXESP-SFHVURJKSA-N 2 2 341.459 2.498 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177440465 675911820 /nfs/dbraw/zinc/91/18/20/675911820.db2.gz SXIAYHOISFXESP-SFHVURJKSA-N 2 2 341.459 2.498 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000895809349 684727351 /nfs/dbraw/zinc/72/73/51/684727351.db2.gz JRJQHKUTTYXKFY-QGZVFWFLSA-N 2 2 338.492 2.343 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1C[NH+](CC2=CCCCC2)C1 ZINC001485535202 1191830760 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2.249 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001266734126 1177323251 /nfs/dbraw/zinc/32/32/51/1177323251.db2.gz LXLPISYVUKJABX-INIZCTEOSA-N 2 2 347.463 2.323 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001691107884 1177588115 /nfs/dbraw/zinc/58/81/15/1177588115.db2.gz SXUIJYRERRJBPA-OTVXOJSOSA-N 2 2 347.850 2.006 10 0 EEAELP CC(C)(C(=O)N1CC[C@H]([NH2+]CCCC2CCOCC2)C1)c1c[nH+]c[nH]1 ZINC001267022116 1178107250 /nfs/dbraw/zinc/10/72/50/1178107250.db2.gz AOUCGKZYABUQEJ-INIZCTEOSA-N 2 2 348.491 2.085 10 0 EEAELP CC[N@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CCC(C)C ZINC001480976033 1179407983 /nfs/dbraw/zinc/40/79/83/1179407983.db2.gz RFRXKENJRCYHKM-KRWDZBQOSA-N 2 2 335.496 2.274 10 0 EEAELP CC[N@@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CCC(C)C ZINC001480976033 1179407990 /nfs/dbraw/zinc/40/79/90/1179407990.db2.gz RFRXKENJRCYHKM-KRWDZBQOSA-N 2 2 335.496 2.274 10 0 EEAELP CC[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)CCC(C)C 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O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001481986310 1183089782 /nfs/dbraw/zinc/08/97/82/1183089782.db2.gz MAPODAKATWIPBS-HNNXBMFYSA-N 2 2 346.500 2.475 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001481986311 1183090077 /nfs/dbraw/zinc/09/00/77/1183090077.db2.gz MAPODAKATWIPBS-OAHLLOKOSA-N 2 2 346.500 2.475 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001482000333 1183114709 /nfs/dbraw/zinc/11/47/09/1183114709.db2.gz NIUKYUFOWRPFTG-SFHVURJKSA-N 2 2 344.503 2.464 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC(CC[NH2+]C/C=C\Cl)CC1 ZINC001482007119 1183128760 /nfs/dbraw/zinc/12/87/60/1183128760.db2.gz PMCHFTHYAAJUCG-WAPJZHGLSA-N 2 2 338.883 2.324 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001482021242 1183146463 /nfs/dbraw/zinc/14/64/63/1183146463.db2.gz UXCHGSZTOIMVHY-KZNAEPCWSA-N 2 2 348.491 2.249 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC1=CCCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268562381 1183261073 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344.459 2.201 10 0 EEAELP C[NH+](C)CCCCC(=O)NCC1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001268896590 1183799218 /nfs/dbraw/zinc/79/92/18/1183799218.db2.gz UZDGZWYUFJIPMB-UHFFFAOYSA-N 2 2 338.883 2.015 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)cs1 ZINC001269293372 1184144372 /nfs/dbraw/zinc/14/43/72/1184144372.db2.gz VZLAUARMPHKRSR-MRXNPFEDSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)cs1 ZINC001269293372 1184144374 /nfs/dbraw/zinc/14/43/74/1184144374.db2.gz VZLAUARMPHKRSR-MRXNPFEDSA-N 2 2 338.521 2.216 10 0 EEAELP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001269622776 1184442948 /nfs/dbraw/zinc/44/29/48/1184442948.db2.gz NFFAIJGXYRPORZ-DNVCBOLYSA-N 2 2 330.476 2.286 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001269877990 1184689173 /nfs/dbraw/zinc/68/91/73/1184689173.db2.gz XRQWWPYIJIQCLT-SFHVURJKSA-N 2 2 344.503 2.464 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CCCF)C1CCCC1 ZINC001270429539 1185095935 /nfs/dbraw/zinc/09/59/35/1185095935.db2.gz DDTFJXVXDSCXEG-OAGGEKHMSA-N 2 2 336.455 2.148 10 0 EEAELP CC(C)c1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH]c[nH+]2)n1 ZINC001482290713 1185113439 /nfs/dbraw/zinc/11/34/39/1185113439.db2.gz DRPHCYAWCUPGRO-OAHLLOKOSA-N 2 2 343.475 2.497 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CCCc1cccc(F)c1 ZINC001482358624 1185506356 /nfs/dbraw/zinc/50/63/56/1185506356.db2.gz QFVPMVDRIJGYTK-CQSZACIVSA-N 2 2 346.450 2.469 10 0 EEAELP COC[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001482454921 1185867615 /nfs/dbraw/zinc/86/76/15/1185867615.db2.gz WXYWAOHIRSVQJK-WBVHZDCISA-N 2 2 349.475 2.028 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001482458616 1185909961 /nfs/dbraw/zinc/90/99/61/1185909961.db2.gz KFGCUGHGRHQHPY-QGZVFWFLSA-N 2 2 341.459 2.217 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]Cc1ccon1 ZINC001271619846 1186339105 /nfs/dbraw/zinc/33/91/05/1186339105.db2.gz XIVGVKXZFWWHAD-QGZVFWFLSA-N 2 2 345.447 2.212 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001482556589 1186727766 /nfs/dbraw/zinc/72/77/66/1186727766.db2.gz KOWXFZDVALMWKW-HNNXBMFYSA-N 2 2 347.463 2.303 10 0 EEAELP CO[C@H](C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001482604610 1187352636 /nfs/dbraw/zinc/35/26/36/1187352636.db2.gz IVOBLPGBUBTISD-JFIYKMOQSA-N 2 2 348.491 2.109 10 0 EEAELP CO[C@H](C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCC1 ZINC001482604610 1187352639 /nfs/dbraw/zinc/35/26/39/1187352639.db2.gz IVOBLPGBUBTISD-JFIYKMOQSA-N 2 2 348.491 2.109 10 0 EEAELP CO[C@H](C[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001482604610 1187352642 /nfs/dbraw/zinc/35/26/42/1187352642.db2.gz IVOBLPGBUBTISD-JFIYKMOQSA-N 2 2 348.491 2.109 10 0 EEAELP CO[C@H](C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCC1 ZINC001482604610 1187352646 /nfs/dbraw/zinc/35/26/46/1187352646.db2.gz IVOBLPGBUBTISD-JFIYKMOQSA-N 2 2 348.491 2.109 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001483010047 1187993221 /nfs/dbraw/zinc/99/32/21/1187993221.db2.gz YWMNTTCTDUDJRL-PPPANMTLSA-N 2 2 346.475 2.044 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]Cc2coc(C3CC3)n2)CC[N@H+]1C ZINC001483010047 1187993226 /nfs/dbraw/zinc/99/32/26/1187993226.db2.gz YWMNTTCTDUDJRL-PPPANMTLSA-N 2 2 346.475 2.044 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272859508 1193581045 /nfs/dbraw/zinc/58/10/45/1193581045.db2.gz ROXDNOOTQRRYNV-QGZVFWFLSA-N 2 2 339.524 2.258 10 0 EEAELP CCCCC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272859508 1193581048 /nfs/dbraw/zinc/58/10/48/1193581048.db2.gz ROXDNOOTQRRYNV-QGZVFWFLSA-N 2 2 339.524 2.258 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC001409418371 1189650240 /nfs/dbraw/zinc/65/02/40/1189650240.db2.gz INBDJVQHXCSJPF-CVEARBPZSA-N 2 2 328.460 2.262 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)CCc1cccs1 ZINC001409617920 1190115969 /nfs/dbraw/zinc/11/59/69/1190115969.db2.gz XSXPYXXLZNEQDF-FVQBIDKESA-N 2 2 346.500 2.264 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)CCc1cccs1 ZINC001409617920 1190115970 /nfs/dbraw/zinc/11/59/70/1190115970.db2.gz XSXPYXXLZNEQDF-FVQBIDKESA-N 2 2 346.500 2.264 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CCn1cc[nH+]c1 ZINC001483253927 1190281898 /nfs/dbraw/zinc/28/18/98/1190281898.db2.gz VYJQRLXQZJWENN-AWEZNQCLSA-N 2 2 325.416 2.049 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001486124506 1193688629 /nfs/dbraw/zinc/68/86/29/1193688629.db2.gz QNYRITSSXBVDLE-APWZRJJASA-N 2 2 340.471 2.472 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483660972 1190723142 /nfs/dbraw/zinc/72/31/42/1190723142.db2.gz GAJFNNHCSBEEFV-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483660972 1190723143 /nfs/dbraw/zinc/72/31/43/1190723143.db2.gz GAJFNNHCSBEEFV-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001483676058 1190735307 /nfs/dbraw/zinc/73/53/07/1190735307.db2.gz HIKVPIRERZHTLX-AWEZNQCLSA-N 2 2 343.393 2.348 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001483676058 1190735310 /nfs/dbraw/zinc/73/53/10/1190735310.db2.gz HIKVPIRERZHTLX-AWEZNQCLSA-N 2 2 343.393 2.348 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCCC3)CC2)c(C)o1 ZINC001483735857 1190854650 /nfs/dbraw/zinc/85/46/50/1190854650.db2.gz XJOLICRNWZPLQI-UHFFFAOYSA-N 2 2 348.491 2.294 10 0 EEAELP CC[N@@H+]1CCN(c2nnc(C)n2CCCNc2cccc[nH+]2)C[C@@H]1C ZINC001746439272 1190902317 /nfs/dbraw/zinc/90/23/17/1190902317.db2.gz BGQNWFXAGAXKFC-HNNXBMFYSA-N 2 2 343.479 2.014 10 0 EEAELP CC[N@H+]1CCN(c2nnc(C)n2CCCNc2cccc[nH+]2)C[C@@H]1C ZINC001746439272 1190902320 /nfs/dbraw/zinc/90/23/20/1190902320.db2.gz BGQNWFXAGAXKFC-HNNXBMFYSA-N 2 2 343.479 2.014 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592674 1190908739 /nfs/dbraw/zinc/90/87/39/1190908739.db2.gz ZJHWYNHZMZLWJR-KBPBESRZSA-N 2 2 347.488 2.073 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592674 1190908742 /nfs/dbraw/zinc/90/87/42/1190908742.db2.gz ZJHWYNHZMZLWJR-KBPBESRZSA-N 2 2 347.488 2.073 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]C[C@H]2CCCC(F)(F)C2)CC1 ZINC001483770679 1191005179 /nfs/dbraw/zinc/00/51/79/1191005179.db2.gz CMRBSRLNNKUYAV-LBPRGKRZSA-N 2 2 326.391 2.016 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C1C[NH+](CC/C=C\c2ccccc2)C1 ZINC001483870923 1191101985 /nfs/dbraw/zinc/10/19/85/1191101985.db2.gz UBOYHGDTXHKLLH-POHAHGRESA-N 2 2 338.455 2.438 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001485176741 1191677408 /nfs/dbraw/zinc/67/74/08/1191677408.db2.gz LJPIEHZAGCGFJS-RYUDHWBXSA-N 2 2 335.477 2.030 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCOC(C)C)[nH+]c12 ZINC001485198494 1191682638 /nfs/dbraw/zinc/68/26/38/1191682638.db2.gz KITHBANVNCRMHZ-CVEARBPZSA-N 2 2 346.475 2.093 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485255980 1191713113 /nfs/dbraw/zinc/71/31/13/1191713113.db2.gz VWGOVPDSBXUJEC-MRXNPFEDSA-N 2 2 332.492 2.320 10 0 EEAELP CCCC[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001485466013 1191795290 /nfs/dbraw/zinc/79/52/90/1191795290.db2.gz LQCXOLSCAXKNHZ-HZPDHXFCSA-N 2 2 344.459 2.249 10 0 EEAELP COCC[NH2+]C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001486406271 1193931030 /nfs/dbraw/zinc/93/10/30/1193931030.db2.gz UTMPXKBOKCUGMT-KRWDZBQOSA-N 2 2 344.459 2.253 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@H+](CC[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001486516190 1194021435 /nfs/dbraw/zinc/02/14/35/1194021435.db2.gz BTOMUMPHXCMNGI-WMZOPIPTSA-N 2 2 346.475 2.009 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@@H+](CC[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001486516190 1194021438 /nfs/dbraw/zinc/02/14/38/1194021438.db2.gz BTOMUMPHXCMNGI-WMZOPIPTSA-N 2 2 346.475 2.009 10 0 EEAELP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)CO1 ZINC000703391288 1196459701 /nfs/dbraw/zinc/45/97/01/1196459701.db2.gz VLTGPUFOYLABQU-HNNXBMFYSA-N 2 2 348.447 2.191 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@H]2C1 ZINC001410199225 1197599430 /nfs/dbraw/zinc/59/94/30/1197599430.db2.gz QAOAORZPDZSDTM-RCCFBDPRSA-N 2 2 330.476 2.290 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2C1 ZINC001410199225 1197599433 /nfs/dbraw/zinc/59/94/33/1197599433.db2.gz QAOAORZPDZSDTM-RCCFBDPRSA-N 2 2 330.476 2.290 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)co1 ZINC001410523681 1198085182 /nfs/dbraw/zinc/08/51/82/1198085182.db2.gz WNLIGJMQBGVJRW-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@@H](O)C(F)F)CC2)cc1 ZINC000865687317 1198333597 /nfs/dbraw/zinc/33/35/97/1198333597.db2.gz BCDPMPFXWAJOTJ-MRXNPFEDSA-N 2 2 327.419 2.327 10 0 EEAELP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1c(F)cccc1F ZINC001411022029 1198697035 /nfs/dbraw/zinc/69/70/35/1198697035.db2.gz BEWACXPUTKAYQX-SUMWQHHRSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1c(F)cccc1F ZINC001411022029 1198697037 /nfs/dbraw/zinc/69/70/37/1198697037.db2.gz BEWACXPUTKAYQX-SUMWQHHRSA-N 2 2 339.430 2.386 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000870910882 1200947104 /nfs/dbraw/zinc/94/71/04/1200947104.db2.gz ONQUBCMCQDZMFU-WGGXSYPISA-N 2 2 337.414 2.344 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000870910882 1200947107 /nfs/dbraw/zinc/94/71/07/1200947107.db2.gz ONQUBCMCQDZMFU-WGGXSYPISA-N 2 2 337.414 2.344 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC/C=C/C[NH2+]CC1CCCC1 ZINC001274047766 1204344769 /nfs/dbraw/zinc/34/47/69/1204344769.db2.gz GWXAYVFHWARQCL-SNAWJCMRSA-N 2 2 330.476 2.214 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001274367655 1205011264 /nfs/dbraw/zinc/01/12/64/1205011264.db2.gz DHSNBDDGJYATBM-MLMMWPPISA-N 2 2 342.418 2.125 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1C[NH2+]CCc1cccs1 ZINC001275036335 1205241271 /nfs/dbraw/zinc/24/12/71/1205241271.db2.gz UGPMTOXRAHYLEX-AWEZNQCLSA-N 2 2 332.473 2.227 10 0 EEAELP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001276083607 1205766652 /nfs/dbraw/zinc/76/66/52/1205766652.db2.gz HAZWOPBTLZKTCS-QGZVFWFLSA-N 2 2 340.471 2.392 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCOC12CCCCC2)C[N@@H+]1CCc2ccccc2C1 ZINC000924642843 1206009202 /nfs/dbraw/zinc/00/92/02/1206009202.db2.gz MCTCCUKSYAECPV-WOJBJXKFSA-N 2 2 344.499 2.487 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCOC12CCCCC2)C[N@H+]1CCc2ccccc2C1 ZINC000924642843 1206009204 /nfs/dbraw/zinc/00/92/04/1206009204.db2.gz MCTCCUKSYAECPV-WOJBJXKFSA-N 2 2 344.499 2.487 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000924902192 1206048710 /nfs/dbraw/zinc/04/87/10/1206048710.db2.gz NDPZEXHYMWOVLH-OALUTQOASA-N 2 2 344.503 2.455 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000924902192 1206048713 /nfs/dbraw/zinc/04/87/13/1206048713.db2.gz NDPZEXHYMWOVLH-OALUTQOASA-N 2 2 344.503 2.455 10 0 EEAELP C[C@H](NCc1cc(N)cc[nH+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000925772696 1206152603 /nfs/dbraw/zinc/15/26/03/1206152603.db2.gz VPTHCFXQFVRTOY-HNAYVOBHSA-N 2 2 326.444 2.043 10 0 EEAELP C[C@H](NCc1cc(N)cc[nH+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000925772696 1206152605 /nfs/dbraw/zinc/15/26/05/1206152605.db2.gz VPTHCFXQFVRTOY-HNAYVOBHSA-N 2 2 326.444 2.043 10 0 EEAELP Cn1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c(C2CCCCC2)n1 ZINC000926130319 1206196361 /nfs/dbraw/zinc/19/63/61/1206196361.db2.gz CZFZRWUBVDJBSC-UHFFFAOYSA-N 2 2 348.495 2.012 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H](O)c1ccc2c(c1)OCO2 ZINC000926311308 1206212936 /nfs/dbraw/zinc/21/29/36/1206212936.db2.gz ULXCRQIINULJSD-YBKUAAOGSA-N 2 2 332.444 2.444 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H](O)c1ccc2c(c1)OCO2 ZINC000926311308 1206212937 /nfs/dbraw/zinc/21/29/37/1206212937.db2.gz ULXCRQIINULJSD-YBKUAAOGSA-N 2 2 332.444 2.444 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)c2cccc(C[NH+](C)C)c2)n1 ZINC000927767945 1206300547 /nfs/dbraw/zinc/30/05/47/1206300547.db2.gz FXYGPOWXYKLRQA-UHFFFAOYSA-N 2 2 332.473 2.196 10 0 EEAELP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513053 1207402354 /nfs/dbraw/zinc/40/23/54/1207402354.db2.gz WAPLAUXUCXYODW-OAHLLOKOSA-N 2 2 327.428 2.079 10 0 EEAELP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513053 1207402356 /nfs/dbraw/zinc/40/23/56/1207402356.db2.gz WAPLAUXUCXYODW-OAHLLOKOSA-N 2 2 327.428 2.079 10 0 EEAELP c1cn2c([nH+]1)N(CC(CN1CCn3cc[nH+]c31)c1ccccc1)CC2 ZINC000931519523 1207403937 /nfs/dbraw/zinc/40/39/37/1207403937.db2.gz MZAIBQACGDYMFB-UHFFFAOYSA-N 2 2 334.427 2.204 10 0 EEAELP Cc1c(O)ccc2c(C[NH+]3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)cc(=O)oc12 ZINC000933738699 1207830374 /nfs/dbraw/zinc/83/03/74/1207830374.db2.gz LVFBVELYYBIRMA-KUHUBIRLSA-N 2 2 328.412 2.191 10 0 EEAELP Cc1c(O)ccc2c(C[NH+]3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)cc(=O)oc12 ZINC000933738699 1207830377 /nfs/dbraw/zinc/83/03/77/1207830377.db2.gz LVFBVELYYBIRMA-KUHUBIRLSA-N 2 2 328.412 2.191 10 0 EEAELP Cc1c(O)ccc2c(C[N@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)cc(=O)oc12 ZINC000933738699 1207830383 /nfs/dbraw/zinc/83/03/83/1207830383.db2.gz LVFBVELYYBIRMA-KUHUBIRLSA-N 2 2 328.412 2.191 10 0 EEAELP Cc1c(O)ccc2c(C[N@@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)cc(=O)oc12 ZINC000933738699 1207830387 /nfs/dbraw/zinc/83/03/87/1207830387.db2.gz LVFBVELYYBIRMA-KUHUBIRLSA-N 2 2 328.412 2.191 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310528 1212501583 /nfs/dbraw/zinc/50/15/83/1212501583.db2.gz OJLVQIPSUCZJLN-UYAOXDASSA-N 2 2 327.472 2.205 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310528 1212501586 /nfs/dbraw/zinc/50/15/86/1212501586.db2.gz OJLVQIPSUCZJLN-UYAOXDASSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310528 1212501589 /nfs/dbraw/zinc/50/15/89/1212501589.db2.gz OJLVQIPSUCZJLN-UYAOXDASSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310528 1212501593 /nfs/dbraw/zinc/50/15/93/1212501593.db2.gz OJLVQIPSUCZJLN-UYAOXDASSA-N 2 2 327.472 2.205 10 0 EEAELP C/C(=C/C(=O)NCCCCC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000900659602 1234621600 /nfs/dbraw/zinc/62/16/00/1234621600.db2.gz OHDPDRMYZLFEFY-VLGSPTGOSA-N 2 2 337.508 2.037 10 0 EEAELP CO[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCSC1 ZINC000903309216 1240226145 /nfs/dbraw/zinc/22/61/45/1240226145.db2.gz DMENDZBOYLQDHR-SZMVWBNQSA-N 2 2 335.517 2.404 10 0 EEAELP CO[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCSC1 ZINC000903309216 1240226148 /nfs/dbraw/zinc/22/61/48/1240226148.db2.gz DMENDZBOYLQDHR-SZMVWBNQSA-N 2 2 335.517 2.404 10 0 EEAELP CC(C)O[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCOC1 ZINC000903360946 1240307831 /nfs/dbraw/zinc/30/78/31/1240307831.db2.gz MSAIKVKGGDPIKK-IHPCNDPISA-N 2 2 347.503 2.466 10 0 EEAELP CC(C)O[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCOC1 ZINC000903360946 1240307836 /nfs/dbraw/zinc/30/78/36/1240307836.db2.gz MSAIKVKGGDPIKK-IHPCNDPISA-N 2 2 347.503 2.466 10 0 EEAELP O=S(=O)(CCC[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(Cl)cc1 ZINC000903469715 1240567001 /nfs/dbraw/zinc/56/70/01/1240567001.db2.gz AZGOSOYDKNBYQX-OAHLLOKOSA-N 2 2 342.892 2.378 10 0 EEAELP Cc1ccc(C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC2CC2)cn1 ZINC000903931179 1242548236 /nfs/dbraw/zinc/54/82/36/1242548236.db2.gz AJDWXHRAXQCRSC-SFHVURJKSA-N 2 2 340.475 2.318 10 0 EEAELP Cc1ccc(C[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC2CC2)cn1 ZINC000903931179 1242548246 /nfs/dbraw/zinc/54/82/46/1242548246.db2.gz AJDWXHRAXQCRSC-SFHVURJKSA-N 2 2 340.475 2.318 10 0 EEAELP COCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001490984363 1258541083 /nfs/dbraw/zinc/54/10/83/1258541083.db2.gz SLRYGAYPBVHHRO-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP COCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001490984363 1258541091 /nfs/dbraw/zinc/54/10/91/1258541091.db2.gz SLRYGAYPBVHHRO-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001491024691 1258582845 /nfs/dbraw/zinc/58/28/45/1258582845.db2.gz MMEQRSPHGGYTAB-TXEJJXNPSA-N 2 2 338.864 2.494 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001491024691 1258582851 /nfs/dbraw/zinc/58/28/51/1258582851.db2.gz MMEQRSPHGGYTAB-TXEJJXNPSA-N 2 2 338.864 2.494 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001491330701 1258964906 /nfs/dbraw/zinc/96/49/06/1258964906.db2.gz JWJHBFDPXLVIGK-DHQLOUECSA-N 2 2 344.503 2.461 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001491330701 1258964910 /nfs/dbraw/zinc/96/49/10/1258964910.db2.gz JWJHBFDPXLVIGK-DHQLOUECSA-N 2 2 344.503 2.461 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001491330701 1258964916 /nfs/dbraw/zinc/96/49/16/1258964916.db2.gz JWJHBFDPXLVIGK-DHQLOUECSA-N 2 2 344.503 2.461 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]21 ZINC001491330701 1258964919 /nfs/dbraw/zinc/96/49/19/1258964919.db2.gz JWJHBFDPXLVIGK-DHQLOUECSA-N 2 2 344.503 2.461 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]C[C@H]3CC(C)(C)CO3)ccn12 ZINC001491458554 1259103601 /nfs/dbraw/zinc/10/36/01/1259103601.db2.gz ZSDJVVDRXWDNKQ-XJKSGUPXSA-N 2 2 344.459 2.166 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(Cl)c1 ZINC001491508859 1259155979 /nfs/dbraw/zinc/15/59/79/1259155979.db2.gz YIBDQZCJOWREFT-ZFWWWQNUSA-N 2 2 346.862 2.393 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCc1ccccc1 ZINC001491507520 1259159068 /nfs/dbraw/zinc/15/90/68/1259159068.db2.gz JMAVSZGSHOQLER-SJLPKXTDSA-N 2 2 340.471 2.173 10 0 EEAELP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)Cc1c[nH+]ccc1OC ZINC001273449816 1278423030 /nfs/dbraw/zinc/42/30/30/1278423030.db2.gz OHCICBHVMWSCRX-UHFFFAOYSA-N 2 2 341.402 2.116 10 0 EEAELP CO[C@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001489334000 1290514693 /nfs/dbraw/zinc/51/46/93/1290514693.db2.gz DTVSIIDWIWEHBB-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@H](C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001489334000 1290514696 /nfs/dbraw/zinc/51/46/96/1290514696.db2.gz DTVSIIDWIWEHBB-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCCC[N@@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC001490279522 1291106764 /nfs/dbraw/zinc/10/67/64/1291106764.db2.gz IMUUCUHLUWGTMC-UHFFFAOYSA-N 2 2 347.463 2.115 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCCC[N@H+](C)Cc1ncc(C(C)(C)C)o1 ZINC001490279522 1291106770 /nfs/dbraw/zinc/10/67/70/1291106770.db2.gz IMUUCUHLUWGTMC-UHFFFAOYSA-N 2 2 347.463 2.115 10 0 EEAELP O=C(NC[C@@H]([NH2+]CCc1cccs1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490674145 1291557272 /nfs/dbraw/zinc/55/72/72/1291557272.db2.gz PMIPXUREOVYIAV-BZUAXINKSA-N 2 2 344.484 2.302 10 0 EEAELP O=C(NC[C@@H]([NH2+]CCc1cccs1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001490674145 1291557280 /nfs/dbraw/zinc/55/72/80/1291557280.db2.gz PMIPXUREOVYIAV-BZUAXINKSA-N 2 2 344.484 2.302 10 0 EEAELP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490793937 1291738258 /nfs/dbraw/zinc/73/82/58/1291738258.db2.gz RHVKXGKSIDTWTR-ZACQAIPSSA-N 2 2 330.476 2.311 10 0 EEAELP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490793937 1291738263 /nfs/dbraw/zinc/73/82/63/1291738263.db2.gz RHVKXGKSIDTWTR-ZACQAIPSSA-N 2 2 330.476 2.311 10 0 EEAELP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nccn3C)C2)ccn1 ZINC000856559775 1293567158 /nfs/dbraw/zinc/56/71/58/1293567158.db2.gz ILXMJAOXYVSBPZ-SFHVURJKSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nccn3C)C2)ccn1 ZINC000856559775 1293567162 /nfs/dbraw/zinc/56/71/62/1293567162.db2.gz ILXMJAOXYVSBPZ-SFHVURJKSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nccn3C)C2)ccn1 ZINC000856559775 1293567168 /nfs/dbraw/zinc/56/71/68/1293567168.db2.gz ILXMJAOXYVSBPZ-SFHVURJKSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nccn3C)C2)ccn1 ZINC000856559775 1293567175 /nfs/dbraw/zinc/56/71/75/1293567175.db2.gz ILXMJAOXYVSBPZ-SFHVURJKSA-N 2 2 343.475 2.309 10 0 EEAELP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H]3CCCc4c[nH]nc43)[nH+]c2)C1 ZINC000857861532 1293933983 /nfs/dbraw/zinc/93/39/83/1293933983.db2.gz SAKPHUPWEIXXOD-HOTGVXAUSA-N 2 2 326.448 2.435 10 0 EEAELP O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000857979409 1293976708 /nfs/dbraw/zinc/97/67/08/1293976708.db2.gz OHQOYBJZPDEOQE-ROUUACIJSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(N[C@H]1CCn2c[nH+]cc21)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000857979409 1293976712 /nfs/dbraw/zinc/97/67/12/1293976712.db2.gz OHQOYBJZPDEOQE-ROUUACIJSA-N 2 2 338.455 2.399 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1(C)C ZINC000858178915 1294033957 /nfs/dbraw/zinc/03/39/57/1294033957.db2.gz UUBZHNAAWNUCNO-INIZCTEOSA-N 2 2 331.460 2.470 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1(C)C ZINC000858178915 1294033962 /nfs/dbraw/zinc/03/39/62/1294033962.db2.gz UUBZHNAAWNUCNO-INIZCTEOSA-N 2 2 331.460 2.470 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)C[C@H](C)[NH3+])c(C)c1 ZINC000861614423 1295477815 /nfs/dbraw/zinc/47/78/15/1295477815.db2.gz KCEYYEJQZSLHDD-RDJZCZTQSA-N 2 2 329.448 2.230 10 0 EEAELP Cc1nsc(C)c1C[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001276956890 1300490698 /nfs/dbraw/zinc/49/06/98/1300490698.db2.gz PJLDTQNEIFAKLL-OAHLLOKOSA-N 2 2 338.521 2.182 10 0 EEAELP Cc1nsc(C)c1C[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001276956890 1300490690 /nfs/dbraw/zinc/49/06/90/1300490690.db2.gz PJLDTQNEIFAKLL-OAHLLOKOSA-N 2 2 338.521 2.182 10 0 EEAELP Cc1ncc(C[NH2+]C2(CNC(=O)c3cccc4[nH+]ccn43)CC2)s1 ZINC001277115113 1301355403 /nfs/dbraw/zinc/35/54/03/1301355403.db2.gz ZEFSNDDQVHJVAB-UHFFFAOYSA-N 2 2 341.440 2.151 10 0 EEAELP CCOCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001278523488 1317137295 /nfs/dbraw/zinc/13/72/95/1317137295.db2.gz JJQXZICYAXKZAY-LJQANCHMSA-N 2 2 344.459 2.203 10 0 EEAELP COCCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001264119288 1322632067 /nfs/dbraw/zinc/63/20/67/1322632067.db2.gz YBOOXJKSHHWZDX-QGZVFWFLSA-N 2 2 349.475 2.030 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc(Cl)ccc1F ZINC001265076634 1322909083 /nfs/dbraw/zinc/90/90/83/1322909083.db2.gz ZIBIDXCJFGQJIA-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc(Cl)ccc1F ZINC001265076634 1322909084 /nfs/dbraw/zinc/90/90/84/1322909084.db2.gz ZIBIDXCJFGQJIA-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP CC[C@H](F)C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167291 1322961731 /nfs/dbraw/zinc/96/17/31/1322961731.db2.gz KKPTZFDBGWLFER-CABCVRRESA-N 2 2 336.455 2.164 10 0 EEAELP CC[C@H](F)C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167291 1322961733 /nfs/dbraw/zinc/96/17/33/1322961733.db2.gz KKPTZFDBGWLFER-CABCVRRESA-N 2 2 336.455 2.164 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](C/C(Cl)=C\Cl)C1CC1 ZINC001265168942 1322962829 /nfs/dbraw/zinc/96/28/29/1322962829.db2.gz LVAGMZXIEXNGQR-NTUHNPAUSA-N 2 2 345.274 2.481 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](C/C(Cl)=C\Cl)C1CC1 ZINC001265168942 1322962832 /nfs/dbraw/zinc/96/28/32/1322962832.db2.gz LVAGMZXIEXNGQR-NTUHNPAUSA-N 2 2 345.274 2.481 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1Cc1ccon1 ZINC001265657747 1323301983 /nfs/dbraw/zinc/30/19/83/1323301983.db2.gz JNOZWBLDUYERJW-GOSISDBHSA-N 2 2 348.491 2.411 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1Cc1ccon1 ZINC001265657747 1323301987 /nfs/dbraw/zinc/30/19/87/1323301987.db2.gz JNOZWBLDUYERJW-GOSISDBHSA-N 2 2 348.491 2.411 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](C[NH2+]CC[C@H](C)F)C3)ccn12 ZINC001265976586 1323537055 /nfs/dbraw/zinc/53/70/55/1323537055.db2.gz LYIWGYFZTIHESN-ZFWWWQNUSA-N 2 2 332.423 2.443 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225206 1323798031 /nfs/dbraw/zinc/79/80/31/1323798031.db2.gz JXQFUJCQTOXNRD-QCDWVSHVSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225206 1323798036 /nfs/dbraw/zinc/79/80/36/1323798036.db2.gz JXQFUJCQTOXNRD-QCDWVSHVSA-N 2 2 330.476 2.382 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC1CC(C[NH2+]CC=C(Cl)Cl)C1 ZINC001282076362 1325612572 /nfs/dbraw/zinc/61/25/72/1325612572.db2.gz RXFWMDDDUZGTIJ-UHFFFAOYSA-N 2 2 345.274 2.156 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)CCC[NH+]3CCCC3)CC2)o1 ZINC001284994732 1326817464 /nfs/dbraw/zinc/81/74/64/1326817464.db2.gz JUNBKLDWEQXIID-UHFFFAOYSA-N 2 2 346.475 2.107 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)CCC[NH+]3CCCC3)CC2)o1 ZINC001284994732 1326817467 /nfs/dbraw/zinc/81/74/67/1326817467.db2.gz JUNBKLDWEQXIID-UHFFFAOYSA-N 2 2 346.475 2.107 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]Cc3cncs3)ccn12 ZINC001492024281 1330450841 /nfs/dbraw/zinc/45/08/41/1330450841.db2.gz OKKZTXTZXFJCHB-GFCCVEGCSA-N 2 2 343.456 2.397 10 0 EEAELP CC(C)C[C@H](C)C[N@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001492258185 1331119541 /nfs/dbraw/zinc/11/95/41/1331119541.db2.gz UJCSQIWQFNCGHZ-INIZCTEOSA-N 2 2 334.508 2.492 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001492258185 1331119545 /nfs/dbraw/zinc/11/95/45/1331119545.db2.gz UJCSQIWQFNCGHZ-INIZCTEOSA-N 2 2 334.508 2.492 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001317606811 1332322926 /nfs/dbraw/zinc/32/29/26/1332322926.db2.gz VYINKBVUUKRXDE-QGZVFWFLSA-N 2 2 326.444 2.002 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001318437908 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ZINC001665686330 1355359160 /nfs/dbraw/zinc/35/91/60/1355359160.db2.gz HYYPMGBHQSUAFN-OAHLLOKOSA-N 2 2 338.883 2.108 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001665686330 1355359163 /nfs/dbraw/zinc/35/91/63/1355359163.db2.gz HYYPMGBHQSUAFN-OAHLLOKOSA-N 2 2 338.883 2.108 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001666167506 1355473574 /nfs/dbraw/zinc/47/35/74/1355473574.db2.gz LLRXMRFODONHTK-SJORKVTESA-N 2 2 348.491 2.048 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001666223254 1355488601 /nfs/dbraw/zinc/48/86/01/1355488601.db2.gz FUYXNMFAHXHDGD-SFHVURJKSA-N 2 2 344.503 2.464 10 0 EEAELP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001666224001 1355488782 /nfs/dbraw/zinc/48/87/82/1355488782.db2.gz VAEURYPLUJEXMX-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CCOC1CC(C[NH2+]CC[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001668112127 1355873083 /nfs/dbraw/zinc/87/30/83/1355873083.db2.gz ATZROIGFARHRBL-HLIUYOAVSA-N 2 2 344.459 2.476 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)c1cccc2[nH+]ccn21 ZINC001669614221 1356184375 /nfs/dbraw/zinc/18/43/75/1356184375.db2.gz RIGBIIWTBNJXIZ-LBPRGKRZSA-N 2 2 343.818 2.291 10 0 EEAELP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001672816825 1356591638 /nfs/dbraw/zinc/59/16/38/1356591638.db2.gz XNPUUCAHKSMOMY-DLBZAZTESA-N 2 2 332.492 2.320 10 0 EEAELP CCCC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001698899208 1405140153 /nfs/dbraw/zinc/14/01/53/1405140153.db2.gz UBEZRCNWRKKLGE-RDJZCZTQSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]([NH2+]CCCCCF)[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001698934358 1405172536 /nfs/dbraw/zinc/17/25/36/1405172536.db2.gz IRRSSHSCESKJHK-CVEARBPZSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F)n1cc[nH+]c1 ZINC001699760454 1405470391 /nfs/dbraw/zinc/47/03/91/1405470391.db2.gz LDMYDNIHDXOZDV-QWHCGFSZSA-N 2 2 332.370 2.367 10 0 EEAELP OC1(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC000818955209 785342808 /nfs/dbraw/zinc/34/28/08/785342808.db2.gz NPZPDBVOYVMJBR-UHFFFAOYSA-N 2 2 331.504 2.484 10 0 EEAELP Cc1ccc(N2CCC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)CC2)cc1 ZINC000844221825 788913463 /nfs/dbraw/zinc/91/34/63/788913463.db2.gz MQQVFXDYUHOGLP-UHFFFAOYSA-N 2 2 329.448 2.284 10 0 EEAELP Cc1ccc(N2CCC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)CC2)cc1 ZINC000844221825 788913468 /nfs/dbraw/zinc/91/34/68/788913468.db2.gz MQQVFXDYUHOGLP-UHFFFAOYSA-N 2 2 329.448 2.284 10 0 EEAELP C[NH2+]C1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000923288447 789317733 /nfs/dbraw/zinc/31/77/33/789317733.db2.gz WSWPDIWYWUSLGQ-CYBMUJFWSA-N 2 2 333.259 2.417 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001566075292 1125547825 /nfs/dbraw/zinc/54/78/25/1125547825.db2.gz RHJBGYIZIYHXNL-INIZCTEOSA-N 2 2 336.480 2.128 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1Cc1cc(C)no1 ZINC001436448227 1087868795 /nfs/dbraw/zinc/86/87/95/1087868795.db2.gz YODRXXQCGOEZET-DLBZAZTESA-N 2 2 345.447 2.129 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1Cc1cc(C)no1 ZINC001436448227 1087868821 /nfs/dbraw/zinc/86/88/21/1087868821.db2.gz YODRXXQCGOEZET-DLBZAZTESA-N 2 2 345.447 2.129 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)[C@H]2C)o1 ZINC001436483414 1087973676 /nfs/dbraw/zinc/97/36/76/1087973676.db2.gz KORMPQWEQRTZKW-ZBFHGGJFSA-N 2 2 345.447 2.047 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)CCCn3cc[nH+]c3)[C@H]2C)o1 ZINC001436483414 1087973691 /nfs/dbraw/zinc/97/36/91/1087973691.db2.gz KORMPQWEQRTZKW-ZBFHGGJFSA-N 2 2 345.447 2.047 10 0 EEAELP C[C@H]([NH2+]CCc1ccccc1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001436662423 1088089284 /nfs/dbraw/zinc/08/92/84/1088089284.db2.gz DAQRBHZVZRGOIT-HKUYNNGSSA-N 2 2 340.471 2.485 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001436745074 1088229821 /nfs/dbraw/zinc/22/98/21/1088229821.db2.gz MCNGUHFDHLHDSB-CQSZACIVSA-N 2 2 339.867 2.076 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2cc(O)ccc2Cl)C1 ZINC001436745074 1088229839 /nfs/dbraw/zinc/22/98/39/1088229839.db2.gz MCNGUHFDHLHDSB-CQSZACIVSA-N 2 2 339.867 2.076 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001436745074 1088229857 /nfs/dbraw/zinc/22/98/57/1088229857.db2.gz MCNGUHFDHLHDSB-CQSZACIVSA-N 2 2 339.867 2.076 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC001436745074 1088229872 /nfs/dbraw/zinc/22/98/72/1088229872.db2.gz MCNGUHFDHLHDSB-CQSZACIVSA-N 2 2 339.867 2.076 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1)n1cc[nH+]c1 ZINC001436962280 1088652965 /nfs/dbraw/zinc/65/29/65/1088652965.db2.gz BVQDPBIBPNZDQT-YUELXQCFSA-N 2 2 343.431 2.137 10 0 EEAELP Cc1cc(C[NH2+]C2CCC(NC(=O)C[C@@H](C)n3cc[nH+]c3)CC2)no1 ZINC001437090856 1089042177 /nfs/dbraw/zinc/04/21/77/1089042177.db2.gz RZFCDFPDFVPOCN-IUDNXUCKSA-N 2 2 345.447 2.348 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001437150056 1089148589 /nfs/dbraw/zinc/14/85/89/1089148589.db2.gz LILWIJDVHZEDSD-CXAGYDPISA-N 2 2 347.463 2.370 10 0 EEAELP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC001437567822 1090051594 /nfs/dbraw/zinc/05/15/94/1090051594.db2.gz CNPPIGJOUCXWKA-UHFFFAOYSA-N 2 2 340.349 2.150 10 0 EEAELP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccc(C(F)(F)F)c1 ZINC001437567822 1090051604 /nfs/dbraw/zinc/05/16/04/1090051604.db2.gz CNPPIGJOUCXWKA-UHFFFAOYSA-N 2 2 340.349 2.150 10 0 EEAELP Cc1nsc(C)c1C[N@@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437939670 1090533318 /nfs/dbraw/zinc/53/33/18/1090533318.db2.gz RHDQNPLZXOHDGV-AWEZNQCLSA-N 2 2 347.488 2.054 10 0 EEAELP Cc1nsc(C)c1C[N@H+]1CC[C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001437939670 1090533321 /nfs/dbraw/zinc/53/33/21/1090533321.db2.gz RHDQNPLZXOHDGV-AWEZNQCLSA-N 2 2 347.488 2.054 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC1CC(F)(F)C1 ZINC001438327568 1090801851 /nfs/dbraw/zinc/80/18/51/1090801851.db2.gz HYGMKNSFNCYNQO-MGPQQGTHSA-N 2 2 340.418 2.053 10 0 EEAELP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)c(C)o1 ZINC001438442679 1090945551 /nfs/dbraw/zinc/94/55/51/1090945551.db2.gz YUGCDJBTBTXFRO-WKILWMFISA-N 2 2 345.447 2.095 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]Cc1ccsc1 ZINC001438509913 1091002013 /nfs/dbraw/zinc/00/20/13/1091002013.db2.gz KAHVJRHOLWVZBE-UKRRQHHQSA-N 2 2 332.473 2.049 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CC[C@@H]2CCCCO2)CCCC1 ZINC001438601819 1091089020 /nfs/dbraw/zinc/08/90/20/1091089020.db2.gz DKHNKNBUFYPIAG-KRWDZBQOSA-N 2 2 348.491 2.251 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)on1 ZINC001438641550 1091122627 /nfs/dbraw/zinc/12/26/27/1091122627.db2.gz KNMRUATUSOHNFD-ZIAGYGMSSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)oc1C ZINC001438651271 1091136836 /nfs/dbraw/zinc/13/68/36/1091136836.db2.gz LEVPETWTVZXAJK-XJKSGUPXSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)oc1C ZINC001438651271 1091136842 /nfs/dbraw/zinc/13/68/42/1091136842.db2.gz LEVPETWTVZXAJK-XJKSGUPXSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1F ZINC001445459843 1091227912 /nfs/dbraw/zinc/22/79/12/1091227912.db2.gz XMIXEYGEZNJQLP-ZIAGYGMSSA-N 2 2 332.423 2.330 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1F ZINC001445459843 1091227924 /nfs/dbraw/zinc/22/79/24/1091227924.db2.gz XMIXEYGEZNJQLP-ZIAGYGMSSA-N 2 2 332.423 2.330 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001445569459 1091347424 /nfs/dbraw/zinc/34/74/24/1091347424.db2.gz GUCVXGVHUYZPQN-MORSLUCNSA-N 2 2 338.455 2.296 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001445569459 1091347432 /nfs/dbraw/zinc/34/74/32/1091347432.db2.gz GUCVXGVHUYZPQN-MORSLUCNSA-N 2 2 338.455 2.296 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001438890614 1091537161 /nfs/dbraw/zinc/53/71/61/1091537161.db2.gz QBFALBMYKYHXCB-SJLPKXTDSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001438890614 1091537166 /nfs/dbraw/zinc/53/71/66/1091537166.db2.gz QBFALBMYKYHXCB-SJLPKXTDSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001438890614 1091537173 /nfs/dbraw/zinc/53/71/73/1091537173.db2.gz QBFALBMYKYHXCB-SJLPKXTDSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001438890614 1091537179 /nfs/dbraw/zinc/53/71/79/1091537179.db2.gz QBFALBMYKYHXCB-SJLPKXTDSA-N 2 2 348.491 2.144 10 0 EEAELP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001439079003 1091724992 /nfs/dbraw/zinc/72/49/92/1091724992.db2.gz VNSIBQLFJUQZEX-OLZOCXBDSA-N 2 2 336.386 2.407 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001439129409 1091774298 /nfs/dbraw/zinc/77/42/98/1091774298.db2.gz MYZFEHKDWSAOCM-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c(C)n1 ZINC001439260860 1091913540 /nfs/dbraw/zinc/91/35/40/1091913540.db2.gz RIHZIPHXLVDIIA-GJZGRUSLSA-N 2 2 329.448 2.141 10 0 EEAELP C[C@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439337124 1092034628 /nfs/dbraw/zinc/03/46/28/1092034628.db2.gz TVOMOYTYHRCULA-CHWSQXEVSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439337124 1092034639 /nfs/dbraw/zinc/03/46/39/1092034639.db2.gz TVOMOYTYHRCULA-CHWSQXEVSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439337124 1092034650 /nfs/dbraw/zinc/03/46/50/1092034650.db2.gz TVOMOYTYHRCULA-CHWSQXEVSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439337124 1092034661 /nfs/dbraw/zinc/03/46/61/1092034661.db2.gz TVOMOYTYHRCULA-CHWSQXEVSA-N 2 2 328.407 2.214 10 0 EEAELP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC(F)(F)F)[NH+]1CCCC1 ZINC001446131039 1092178826 /nfs/dbraw/zinc/17/88/26/1092178826.db2.gz UCJAQMVNKZRJDF-UONOGXRCSA-N 2 2 335.414 2.250 10 0 EEAELP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1CCC(F)(F)F)[NH+]1CCCC1 ZINC001446131039 1092178831 /nfs/dbraw/zinc/17/88/31/1092178831.db2.gz UCJAQMVNKZRJDF-UONOGXRCSA-N 2 2 335.414 2.250 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001440246760 1093337891 /nfs/dbraw/zinc/33/78/91/1093337891.db2.gz SZJPGEGFEGNYMP-HIFRSBDPSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001440246760 1093337896 /nfs/dbraw/zinc/33/78/96/1093337896.db2.gz SZJPGEGFEGNYMP-HIFRSBDPSA-N 2 2 340.418 2.412 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)CC[C@@H]1CCCCO1 ZINC001440481824 1093713803 /nfs/dbraw/zinc/71/38/03/1093713803.db2.gz WUHQNRDZDTUMGG-INIZCTEOSA-N 2 2 336.480 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)CC[C@@H]1CCCCO1 ZINC001440481824 1093713805 /nfs/dbraw/zinc/71/38/05/1093713805.db2.gz WUHQNRDZDTUMGG-INIZCTEOSA-N 2 2 336.480 2.000 10 0 EEAELP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001440601111 1093866420 /nfs/dbraw/zinc/86/64/20/1093866420.db2.gz FYKFQSPEWOCWSJ-INIZCTEOSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001440811926 1094062384 /nfs/dbraw/zinc/06/23/84/1094062384.db2.gz MMRDKAIBPVVZAF-JKSUJKDBSA-N 2 2 328.460 2.344 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)CC1CC(C)(C)C1 ZINC001440975874 1094236627 /nfs/dbraw/zinc/23/66/27/1094236627.db2.gz LYDSOEDBJJTJOU-FVQBIDKESA-N 2 2 332.492 2.396 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001440975874 1094236631 /nfs/dbraw/zinc/23/66/31/1094236631.db2.gz LYDSOEDBJJTJOU-FVQBIDKESA-N 2 2 332.492 2.396 10 0 EEAELP CC[C@@H](C[NH+]1CCC(C2(NC(=O)CCc3c[nH]c[nH+]3)CC2)CC1)OC ZINC001449405033 1094385946 /nfs/dbraw/zinc/38/59/46/1094385946.db2.gz VMQQPRJKAFBFHJ-KRWDZBQOSA-N 2 2 348.491 2.128 10 0 EEAELP CC[C@@H](C[NH+]1CCC(C2(NC(=O)CCc3c[nH+]c[nH]3)CC2)CC1)OC ZINC001449405033 1094385950 /nfs/dbraw/zinc/38/59/50/1094385950.db2.gz VMQQPRJKAFBFHJ-KRWDZBQOSA-N 2 2 348.491 2.128 10 0 EEAELP CCc1ccc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)cc1 ZINC001441302399 1094748862 /nfs/dbraw/zinc/74/88/62/1094748862.db2.gz PURZXSUOJFHDSJ-GOSISDBHSA-N 2 2 326.444 2.130 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001441355272 1094871988 /nfs/dbraw/zinc/87/19/88/1094871988.db2.gz CLKALXBWGNUSDL-ULQDDVLXSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001441389229 1094944979 /nfs/dbraw/zinc/94/49/79/1094944979.db2.gz UHSHUHUECXCHNW-NUEKZKHPSA-N 2 2 336.455 2.195 10 0 EEAELP C[C@H](F)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001441389229 1094944983 /nfs/dbraw/zinc/94/49/83/1094944983.db2.gz UHSHUHUECXCHNW-NUEKZKHPSA-N 2 2 336.455 2.195 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC001441636882 1095544894 /nfs/dbraw/zinc/54/48/94/1095544894.db2.gz BMPGLBDBMWTHQW-UHFFFAOYSA-N 2 2 327.432 2.041 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC001441636882 1095544901 /nfs/dbraw/zinc/54/49/01/1095544901.db2.gz BMPGLBDBMWTHQW-UHFFFAOYSA-N 2 2 327.432 2.041 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC001441882824 1096012491 /nfs/dbraw/zinc/01/24/91/1096012491.db2.gz VXEPJOVMKWWJLI-FUHWJXTLSA-N 2 2 340.471 2.357 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001441884600 1096014907 /nfs/dbraw/zinc/01/49/07/1096014907.db2.gz UCJPMFLPANBVEF-JENIJYKNSA-N 2 2 348.491 2.372 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001441884600 1096014915 /nfs/dbraw/zinc/01/49/15/1096014915.db2.gz UCJPMFLPANBVEF-JENIJYKNSA-N 2 2 348.491 2.372 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC[C@H]1CCCCO1 ZINC001441904621 1096068570 /nfs/dbraw/zinc/06/85/70/1096068570.db2.gz HPIVJWPIVSWWER-HUUCEWRRSA-N 2 2 330.432 2.001 10 0 EEAELP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001441913292 1096088992 /nfs/dbraw/zinc/08/89/92/1096088992.db2.gz ASGNLYMTCIESMP-CZUORRHYSA-N 2 2 344.459 2.118 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccccc1Cl ZINC001441956795 1096159131 /nfs/dbraw/zinc/15/91/31/1096159131.db2.gz JWQWEJWNFWLFDI-BPLDGKMQSA-N 2 2 346.862 2.472 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)o1 ZINC001442206343 1096491963 /nfs/dbraw/zinc/49/19/63/1096491963.db2.gz BATKWDGVOWNNCJ-MRXNPFEDSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)o1 ZINC001442206343 1096491965 /nfs/dbraw/zinc/49/19/65/1096491965.db2.gz BATKWDGVOWNNCJ-MRXNPFEDSA-N 2 2 348.491 2.056 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1ncc(C)o1 ZINC001442928736 1097338582 /nfs/dbraw/zinc/33/85/82/1097338582.db2.gz BJJZZARKLOVLGN-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1ncc(C)o1 ZINC001442928736 1097338586 /nfs/dbraw/zinc/33/85/86/1097338586.db2.gz BJJZZARKLOVLGN-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1ncc(C)o1 ZINC001442928736 1097338590 /nfs/dbraw/zinc/33/85/90/1097338590.db2.gz BJJZZARKLOVLGN-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1ncc(C)o1 ZINC001442928736 1097338595 /nfs/dbraw/zinc/33/85/95/1097338595.db2.gz BJJZZARKLOVLGN-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001443230828 1097692667 /nfs/dbraw/zinc/69/26/67/1097692667.db2.gz AOBUROGAUFTDRB-IAGOWNOFSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001443230828 1097692672 /nfs/dbraw/zinc/69/26/72/1097692672.db2.gz AOBUROGAUFTDRB-IAGOWNOFSA-N 2 2 332.492 2.320 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001479692158 1098755382 /nfs/dbraw/zinc/75/53/82/1098755382.db2.gz JKBUYKLXNTUZNZ-GFCCVEGCSA-N 2 2 332.370 2.265 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccccc1C1CC1 ZINC001479799315 1099021891 /nfs/dbraw/zinc/02/18/91/1099021891.db2.gz VNXNCJKNIMDXLY-UHFFFAOYSA-N 2 2 326.444 2.468 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccccc1C1CC1 ZINC001479799315 1099021903 /nfs/dbraw/zinc/02/19/03/1099021903.db2.gz VNXNCJKNIMDXLY-UHFFFAOYSA-N 2 2 326.444 2.468 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001444424693 1099047613 /nfs/dbraw/zinc/04/76/13/1099047613.db2.gz VQFAIHUHHUOGSB-HNNXBMFYSA-N 2 2 326.444 2.303 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001444679254 1099522578 /nfs/dbraw/zinc/52/25/78/1099522578.db2.gz GSSWZRYKWBNWNV-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001480079680 1099624784 /nfs/dbraw/zinc/62/47/84/1099624784.db2.gz OKUYXEORRNMCFV-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001480079680 1099624786 /nfs/dbraw/zinc/62/47/86/1099624786.db2.gz OKUYXEORRNMCFV-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP C[N@H+](CC[C@@H]1CCCCO1)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480083368 1099634658 /nfs/dbraw/zinc/63/46/58/1099634658.db2.gz CLKIBOLUBRNSFE-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CC[C@@H]1CCCCO1)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480083368 1099634678 /nfs/dbraw/zinc/63/46/78/1099634678.db2.gz CLKIBOLUBRNSFE-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001480111654 1099678353 /nfs/dbraw/zinc/67/83/53/1099678353.db2.gz ISEBQQZWBGFBGX-ARFHVFGLSA-N 2 2 344.484 2.398 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001480111654 1099678355 /nfs/dbraw/zinc/67/83/55/1099678355.db2.gz ISEBQQZWBGFBGX-ARFHVFGLSA-N 2 2 344.484 2.398 10 0 EEAELP CC(C)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1)n1cc[nH+]c1 ZINC001480144899 1099713365 /nfs/dbraw/zinc/71/33/65/1099713365.db2.gz QEYVBALJSFBQKN-DZKIICNBSA-N 2 2 347.488 2.364 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001480187391 1099782220 /nfs/dbraw/zinc/78/22/20/1099782220.db2.gz CCGHPYQPFAUPNA-SJLPKXTDSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001480187391 1099782224 /nfs/dbraw/zinc/78/22/24/1099782224.db2.gz CCGHPYQPFAUPNA-SJLPKXTDSA-N 2 2 332.492 2.466 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001480189523 1099788511 /nfs/dbraw/zinc/78/85/11/1099788511.db2.gz OIILBWIRYNCQKF-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001480189523 1099788522 /nfs/dbraw/zinc/78/85/22/1099788522.db2.gz OIILBWIRYNCQKF-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CCOCC[NH2+]C[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480287651 1099996465 /nfs/dbraw/zinc/99/64/65/1099996465.db2.gz FUOANRFHQYBXFG-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP CCOCC[NH2+]C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480287650 1099997052 /nfs/dbraw/zinc/99/70/52/1099997052.db2.gz FUOANRFHQYBXFG-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCC[C@H](C[NH2+]Cc2cncs2)C1 ZINC001480305341 1100025731 /nfs/dbraw/zinc/02/57/31/1100025731.db2.gz BFGKDFPEGLOCLD-OAHLLOKOSA-N 2 2 347.488 2.148 10 0 EEAELP CC(C)COCC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001480402657 1100215638 /nfs/dbraw/zinc/21/56/38/1100215638.db2.gz FSGYRIBOEKOHMF-BHUNQDJPSA-N 2 2 348.491 2.203 10 0 EEAELP CC(C)COCC[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001480402657 1100215646 /nfs/dbraw/zinc/21/56/46/1100215646.db2.gz FSGYRIBOEKOHMF-BHUNQDJPSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001480488980 1100298895 /nfs/dbraw/zinc/29/88/95/1100298895.db2.gz CKPFYVZEYKTQAF-ZFWWWQNUSA-N 2 2 346.862 2.393 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001445133148 1100387153 /nfs/dbraw/zinc/38/71/53/1100387153.db2.gz NWDPSEQNFZGTPH-WMZOPIPTSA-N 2 2 332.492 2.322 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001445133148 1100387160 /nfs/dbraw/zinc/38/71/60/1100387160.db2.gz NWDPSEQNFZGTPH-WMZOPIPTSA-N 2 2 332.492 2.322 10 0 EEAELP C[C@H](CC[NH2+][C@@H](C)c1ccc(F)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001445301424 1100532785 /nfs/dbraw/zinc/53/27/85/1100532785.db2.gz KZSGHTFRHKAQII-OLZOCXBDSA-N 2 2 336.386 2.407 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(C2CC2)no1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001496207360 1100748288 /nfs/dbraw/zinc/74/82/88/1100748288.db2.gz PNUIGLVCCJYMNZ-LBPRGKRZSA-N 2 2 345.447 2.189 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@H]2CC(C)(C)CO2)CCCC1 ZINC001495205038 1100885920 /nfs/dbraw/zinc/88/59/20/1100885920.db2.gz QUHYJIXICJQKLF-OAHLLOKOSA-N 2 2 348.491 2.094 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH2+]CCC[C@H](C)O)C(C)C)ccn12 ZINC001496561719 1101163267 /nfs/dbraw/zinc/16/32/67/1101163267.db2.gz MNXCPJYMQVPEQZ-DOTOQJQBSA-N 2 2 346.475 2.148 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCC(F)(F)F ZINC001496575857 1101176031 /nfs/dbraw/zinc/17/60/31/1101176031.db2.gz SYDQSBNSWYWRBR-OCCSQVGLSA-N 2 2 346.397 2.128 10 0 EEAELP CC[C@H](F)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001446731224 1101312748 /nfs/dbraw/zinc/31/27/48/1101312748.db2.gz ZGHJZDPYRFIWRJ-KBPBESRZSA-N 2 2 346.397 2.095 10 0 EEAELP CC[C@H](F)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001446731224 1101312762 /nfs/dbraw/zinc/31/27/62/1101312762.db2.gz ZGHJZDPYRFIWRJ-KBPBESRZSA-N 2 2 346.397 2.095 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001446755202 1101360512 /nfs/dbraw/zinc/36/05/12/1101360512.db2.gz GCYQVNPQLRNZDL-LJQANCHMSA-N 2 2 344.459 2.166 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@](O)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001446755202 1101360522 /nfs/dbraw/zinc/36/05/22/1101360522.db2.gz GCYQVNPQLRNZDL-LJQANCHMSA-N 2 2 344.459 2.166 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1ccc(F)cc1 ZINC001495681604 1101429181 /nfs/dbraw/zinc/42/91/81/1101429181.db2.gz HRWKBCIOFPXXKP-APHBMKBZSA-N 2 2 330.407 2.194 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]Cc1ccc(F)cc1 ZINC001495681604 1101429186 /nfs/dbraw/zinc/42/91/86/1101429186.db2.gz HRWKBCIOFPXXKP-APHBMKBZSA-N 2 2 330.407 2.194 10 0 EEAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CCOC1CCC1 ZINC001495690585 1101443026 /nfs/dbraw/zinc/44/30/26/1101443026.db2.gz FVALWUBBXGPAJW-ZDUSSCGKSA-N 2 2 330.432 2.088 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CC[C@H]2CCCC2(F)F)CCC1 ZINC001447238548 1102264534 /nfs/dbraw/zinc/26/45/34/1102264534.db2.gz BUGNVVUOABOVSY-CYBMUJFWSA-N 2 2 340.418 2.406 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001497729571 1102978243 /nfs/dbraw/zinc/97/82/43/1102978243.db2.gz GYLQAIHMSHBYEI-IHWYPQMZSA-N 2 2 338.455 2.302 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1C ZINC001497734722 1102985632 /nfs/dbraw/zinc/98/56/32/1102985632.db2.gz QTNPVDMNWABSDS-ONEGZZNKSA-N 2 2 330.407 2.170 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)n1 ZINC001447860481 1103464016 /nfs/dbraw/zinc/46/40/16/1103464016.db2.gz SKADXRZDMAZVSW-KBPBESRZSA-N 2 2 329.448 2.037 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)n1 ZINC001447860481 1103464023 /nfs/dbraw/zinc/46/40/23/1103464023.db2.gz SKADXRZDMAZVSW-KBPBESRZSA-N 2 2 329.448 2.037 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001447914446 1103584307 /nfs/dbraw/zinc/58/43/07/1103584307.db2.gz 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2.061 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245430158 284346964 /nfs/dbraw/zinc/34/69/64/284346964.db2.gz ADEHSRMLBWLZFY-UONOGXRCSA-N 2 2 335.414 2.061 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245430158 284346967 /nfs/dbraw/zinc/34/69/67/284346967.db2.gz ADEHSRMLBWLZFY-UONOGXRCSA-N 2 2 335.414 2.061 10 0 EEAELP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000264309485 246332807 /nfs/dbraw/zinc/33/28/07/246332807.db2.gz SMEKTQPSYULYLU-SJORKVTESA-N 2 2 345.487 2.121 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CC(=O)OC(C)(C)C)nc[nH+]1 ZINC000183898032 533052801 /nfs/dbraw/zinc/05/28/01/533052801.db2.gz VDCNXJYWGVDCRT-KGLIPLIRSA-N 2 2 349.479 2.197 10 0 EEAELP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@@H]3C3CCC3)CC2)nc1 ZINC000337987643 285545851 /nfs/dbraw/zinc/54/58/51/285545851.db2.gz SMMAMGRGUSBYGP-MSOLQXFVSA-N 2 2 329.492 2.157 10 0 EEAELP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357731656 153312674 /nfs/dbraw/zinc/31/26/74/153312674.db2.gz QOCNYBDFVREKAZ-GFCCVEGCSA-N 2 2 349.401 2.365 10 0 EEAELP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357731656 153312677 /nfs/dbraw/zinc/31/26/77/153312677.db2.gz QOCNYBDFVREKAZ-GFCCVEGCSA-N 2 2 349.401 2.365 10 0 EEAELP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000377329192 154144931 /nfs/dbraw/zinc/14/49/31/154144931.db2.gz FVLMKEWOQXHYHG-OAHLLOKOSA-N 2 2 333.480 2.078 10 0 EEAELP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000377329192 154144936 /nfs/dbraw/zinc/14/49/36/154144936.db2.gz FVLMKEWOQXHYHG-OAHLLOKOSA-N 2 2 333.480 2.078 10 0 EEAELP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000192118927 160167669 /nfs/dbraw/zinc/16/76/69/160167669.db2.gz LYXYFJLKTCDTRZ-DLBZAZTESA-N 2 2 339.524 2.209 10 0 EEAELP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000192118927 160167670 /nfs/dbraw/zinc/16/76/70/160167670.db2.gz LYXYFJLKTCDTRZ-DLBZAZTESA-N 2 2 339.524 2.209 10 0 EEAELP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245446447 160235995 /nfs/dbraw/zinc/23/59/95/160235995.db2.gz ZVMHIBAGIVIGLW-GDBMZVCRSA-N 2 2 333.480 2.110 10 0 EEAELP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245446447 160235997 /nfs/dbraw/zinc/23/59/97/160235997.db2.gz ZVMHIBAGIVIGLW-GDBMZVCRSA-N 2 2 333.480 2.110 10 0 EEAELP CO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000245476968 160238284 /nfs/dbraw/zinc/23/82/84/160238284.db2.gz UCPVDVXKPJAYQO-KBPBESRZSA-N 2 2 331.420 2.414 10 0 EEAELP CO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000245476968 160238286 /nfs/dbraw/zinc/23/82/86/160238286.db2.gz UCPVDVXKPJAYQO-KBPBESRZSA-N 2 2 331.420 2.414 10 0 EEAELP CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000246707261 160290094 /nfs/dbraw/zinc/29/00/94/160290094.db2.gz GONLUSNEGUIXHV-KBPBESRZSA-N 2 2 331.420 2.496 10 0 EEAELP CCO[C@@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000246707261 160290096 /nfs/dbraw/zinc/29/00/96/160290096.db2.gz GONLUSNEGUIXHV-KBPBESRZSA-N 2 2 331.420 2.496 10 0 EEAELP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1F ZINC000246854003 160297246 /nfs/dbraw/zinc/29/72/46/160297246.db2.gz PHIUBDXANBPULU-LPHOPBHVSA-N 2 2 345.462 2.391 10 0 EEAELP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1F ZINC000246854003 160297248 /nfs/dbraw/zinc/29/72/48/160297248.db2.gz PHIUBDXANBPULU-LPHOPBHVSA-N 2 2 345.462 2.391 10 0 EEAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccccc1F ZINC000246854003 160297250 /nfs/dbraw/zinc/29/72/50/160297250.db2.gz PHIUBDXANBPULU-LPHOPBHVSA-N 2 2 345.462 2.391 10 0 EEAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccccc1F ZINC000246854003 160297253 /nfs/dbraw/zinc/29/72/53/160297253.db2.gz PHIUBDXANBPULU-LPHOPBHVSA-N 2 2 345.462 2.391 10 0 EEAELP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000247029233 160306291 /nfs/dbraw/zinc/30/62/91/160306291.db2.gz NKZMHZCWUKZHKG-WVLNKYAVSA-N 2 2 344.503 2.329 10 0 EEAELP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000247029233 160306292 /nfs/dbraw/zinc/30/62/92/160306292.db2.gz NKZMHZCWUKZHKG-WVLNKYAVSA-N 2 2 344.503 2.329 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC[NH+](C)C)c(C)c1 ZINC000342661053 161081258 /nfs/dbraw/zinc/08/12/58/161081258.db2.gz HRXOERBLHKPTNP-QGZVFWFLSA-N 2 2 329.448 2.102 10 0 EEAELP C[N@H+]1CC=C(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000343353444 161128054 /nfs/dbraw/zinc/12/80/54/161128054.db2.gz LBFIULDJSVTSEU-UHFFFAOYSA-N 2 2 333.823 2.049 10 0 EEAELP C[N@@H+]1CC=C(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000343353444 161128055 /nfs/dbraw/zinc/12/80/55/161128055.db2.gz LBFIULDJSVTSEU-UHFFFAOYSA-N 2 2 333.823 2.049 10 0 EEAELP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)NCc1ccco1 ZINC000344095427 161198000 /nfs/dbraw/zinc/19/80/00/161198000.db2.gz ATTAFAPNDGXBTN-LBPRGKRZSA-N 2 2 330.413 2.321 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000344344159 161218988 /nfs/dbraw/zinc/21/89/88/161218988.db2.gz BUXDZIQXGCTAKW-MRXNPFEDSA-N 2 2 333.395 2.258 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000344344159 161218989 /nfs/dbraw/zinc/21/89/89/161218989.db2.gz BUXDZIQXGCTAKW-MRXNPFEDSA-N 2 2 333.395 2.258 10 0 EEAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCCc1ccc(F)cc1 ZINC000345694412 161323571 /nfs/dbraw/zinc/32/35/71/161323571.db2.gz KBXTUEVESWDDGV-UHFFFAOYSA-N 2 2 330.407 2.087 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)c1c[nH+]ccc1N ZINC000422887796 287040755 /nfs/dbraw/zinc/04/07/55/287040755.db2.gz ZNGMZQNOSQXLEU-RBSFLKMASA-N 2 2 341.459 2.354 10 0 EEAELP CCC1=C(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCO1 ZINC000365156746 165394274 /nfs/dbraw/zinc/39/42/74/165394274.db2.gz MVZGSYRSQZRKDL-SJPCQFCGSA-N 2 2 347.503 2.230 10 0 EEAELP CCC1=C(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCO1 ZINC000365156746 165394277 /nfs/dbraw/zinc/39/42/77/165394277.db2.gz MVZGSYRSQZRKDL-SJPCQFCGSA-N 2 2 347.503 2.230 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C2 ZINC000369818979 166336805 /nfs/dbraw/zinc/33/68/05/166336805.db2.gz KQUVORORDXLGCL-HIFRSBDPSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C2 ZINC000369818979 166336807 /nfs/dbraw/zinc/33/68/07/166336807.db2.gz KQUVORORDXLGCL-HIFRSBDPSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)CC2 ZINC000369818979 166336808 /nfs/dbraw/zinc/33/68/08/166336808.db2.gz KQUVORORDXLGCL-HIFRSBDPSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)CC2 ZINC000369818979 166336809 /nfs/dbraw/zinc/33/68/09/166336809.db2.gz KQUVORORDXLGCL-HIFRSBDPSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C2 ZINC000369818978 166337207 /nfs/dbraw/zinc/33/72/07/166337207.db2.gz KQUVORORDXLGCL-DZGCQCFKSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C2 ZINC000369818978 166337208 /nfs/dbraw/zinc/33/72/08/166337208.db2.gz KQUVORORDXLGCL-DZGCQCFKSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CC2 ZINC000369818978 166337211 /nfs/dbraw/zinc/33/72/11/166337211.db2.gz KQUVORORDXLGCL-DZGCQCFKSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CC2 ZINC000369818978 166337213 /nfs/dbraw/zinc/33/72/13/166337213.db2.gz KQUVORORDXLGCL-DZGCQCFKSA-N 2 2 330.476 2.405 10 0 EEAELP Cc1nc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n[nH]1 ZINC000278631357 269237678 /nfs/dbraw/zinc/23/76/78/269237678.db2.gz GWIOHTSOONZMFN-NNZMDNLPSA-N 2 2 325.460 2.441 10 0 EEAELP Cc1nnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000278631357 269237679 /nfs/dbraw/zinc/23/76/79/269237679.db2.gz GWIOHTSOONZMFN-NNZMDNLPSA-N 2 2 325.460 2.441 10 0 EEAELP Cc1nnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[nH]1 ZINC000278631357 269237680 /nfs/dbraw/zinc/23/76/80/269237680.db2.gz GWIOHTSOONZMFN-NNZMDNLPSA-N 2 2 325.460 2.441 10 0 EEAELP C[C@@H]1C[NH+]=C(N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)S1 ZINC000271469629 274133860 /nfs/dbraw/zinc/13/38/60/274133860.db2.gz YUSKYTRPZQJECQ-AEFFLSMTSA-N 2 2 344.528 2.370 10 0 EEAELP C[C@@H]1C[NH+]=C(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)S1 ZINC000271469629 274133862 /nfs/dbraw/zinc/13/38/62/274133862.db2.gz YUSKYTRPZQJECQ-AEFFLSMTSA-N 2 2 344.528 2.370 10 0 EEAELP CCOc1c(F)cccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365586072 276367917 /nfs/dbraw/zinc/36/79/17/276367917.db2.gz SNOZWKMAYGJCHA-AWEZNQCLSA-N 2 2 349.450 2.123 10 0 EEAELP CCOc1c(F)cccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365586072 276367919 /nfs/dbraw/zinc/36/79/19/276367919.db2.gz SNOZWKMAYGJCHA-AWEZNQCLSA-N 2 2 349.450 2.123 10 0 EEAELP CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422641144 280614672 /nfs/dbraw/zinc/61/46/72/280614672.db2.gz XDDBCUJJMNOAOV-OAHLLOKOSA-N 2 2 333.501 2.412 10 0 EEAELP C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000117803199 289080593 /nfs/dbraw/zinc/08/05/93/289080593.db2.gz BFDRPWRMBWTPCP-BEFAXECRSA-N 2 2 345.487 2.036 10 0 EEAELP C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000117803199 289080596 /nfs/dbraw/zinc/08/05/96/289080596.db2.gz BFDRPWRMBWTPCP-BEFAXECRSA-N 2 2 345.487 2.036 10 0 EEAELP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1c[nH+]ccc1N ZINC000423027437 290063711 /nfs/dbraw/zinc/06/37/11/290063711.db2.gz OZMWDTUBVSLUTB-DZGCQCFKSA-N 3 2 326.448 2.203 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000296108601 293893927 /nfs/dbraw/zinc/89/39/27/293893927.db2.gz GOODUPRDSMSPNH-CQSZACIVSA-N 2 2 331.420 2.132 10 0 EEAELP Cc1nn(C)c(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1Br ZINC000297431705 294242034 /nfs/dbraw/zinc/24/20/34/294242034.db2.gz FMBQSSQZXHQZGG-UHFFFAOYSA-N 2 2 334.221 2.429 10 0 EEAELP Cc1ccn2cc(CNC(=O)NCC3([NH3+])CCCCCC3)[nH+]c2c1 ZINC000417232103 313458916 /nfs/dbraw/zinc/45/89/16/313458916.db2.gz FFQBTXXOBSUHFJ-UHFFFAOYSA-N 2 2 329.448 2.494 10 0 EEAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418593378 313854985 /nfs/dbraw/zinc/85/49/85/313854985.db2.gz MCQJQNVYMKXFLK-RDJZCZTQSA-N 2 2 333.480 2.083 10 0 EEAELP CC(C)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H]1CCC(=O)N1 ZINC000420981025 314013563 /nfs/dbraw/zinc/01/35/63/314013563.db2.gz XSEVFYZILBTFCC-LJQANCHMSA-N 2 2 345.487 2.008 10 0 EEAELP CC(C)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@H]1CCC(=O)N1 ZINC000420981025 314013566 /nfs/dbraw/zinc/01/35/66/314013566.db2.gz XSEVFYZILBTFCC-LJQANCHMSA-N 2 2 345.487 2.008 10 0 EEAELP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527650530 317236484 /nfs/dbraw/zinc/23/64/84/317236484.db2.gz QAJNTGOYMVQOHK-NJAFHUGGSA-N 2 2 342.487 2.145 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)C[NH+]1CCCC1 ZINC000530321484 317711726 /nfs/dbraw/zinc/71/17/26/317711726.db2.gz QHJRXZNEDMNYIF-IEBWSBKVSA-N 2 2 340.471 2.296 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCS(=O)(=O)C2)c(C)c1 ZINC000540395059 318073916 /nfs/dbraw/zinc/07/39/16/318073916.db2.gz HNLJIQPXZBOABJ-WMZOPIPTSA-N 2 2 347.484 2.408 10 0 EEAELP C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1=CC[N@H+](C)CC1 ZINC000542823848 318144461 /nfs/dbraw/zinc/14/44/61/318144461.db2.gz OZGRHLSRDGFGSE-GFCCVEGCSA-N 2 2 347.850 2.437 10 0 EEAELP C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000542823848 318144463 /nfs/dbraw/zinc/14/44/63/318144463.db2.gz OZGRHLSRDGFGSE-GFCCVEGCSA-N 2 2 347.850 2.437 10 0 EEAELP O=C1NCCCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565479799 319186606 /nfs/dbraw/zinc/18/66/06/319186606.db2.gz LHXPHPIGIZGNMG-ROUUACIJSA-N 2 2 327.472 2.442 10 0 EEAELP O=C1NCCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565479799 319186608 /nfs/dbraw/zinc/18/66/08/319186608.db2.gz LHXPHPIGIZGNMG-ROUUACIJSA-N 2 2 327.472 2.442 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000566242354 319264295 /nfs/dbraw/zinc/26/42/95/319264295.db2.gz NKSBQRIGPUUMLH-KRWDZBQOSA-N 2 2 340.464 2.065 10 0 EEAELP O=S(=O)(CCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccc(F)cc1 ZINC000566242354 319264296 /nfs/dbraw/zinc/26/42/96/319264296.db2.gz NKSBQRIGPUUMLH-KRWDZBQOSA-N 2 2 340.464 2.065 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000566654931 319308844 /nfs/dbraw/zinc/30/88/44/319308844.db2.gz BOAFYPZPRHHDNK-GDBMZVCRSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000566654931 319308846 /nfs/dbraw/zinc/30/88/46/319308846.db2.gz BOAFYPZPRHHDNK-GDBMZVCRSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000566654931 319308848 /nfs/dbraw/zinc/30/88/48/319308848.db2.gz BOAFYPZPRHHDNK-GDBMZVCRSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000566654931 319308851 /nfs/dbraw/zinc/30/88/51/319308851.db2.gz BOAFYPZPRHHDNK-GDBMZVCRSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000566778916 319319380 /nfs/dbraw/zinc/31/93/80/319319380.db2.gz FCCALGOWTNNLBC-BLLLJJGKSA-N 2 2 328.416 2.418 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000567030803 319341643 /nfs/dbraw/zinc/34/16/43/319341643.db2.gz DPYAPPKFEVSANS-AEFFLSMTSA-N 2 2 341.459 2.292 10 0 EEAELP FCC1(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)CCOCC1 ZINC000570614803 319680808 /nfs/dbraw/zinc/68/08/08/319680808.db2.gz IVKCISZVSWLQLE-UHFFFAOYSA-N 2 2 342.378 2.389 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)cn21 ZINC000581744539 324315098 /nfs/dbraw/zinc/31/50/98/324315098.db2.gz ZISNYQZUHWDFPM-MRXNPFEDSA-N 2 2 327.432 2.021 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000583191824 324612392 /nfs/dbraw/zinc/61/23/92/324612392.db2.gz PYMCYXCROJIJNU-JKQORVJESA-N 2 2 346.475 2.249 10 0 EEAELP Cc1nc(NCC[N@@H+]2CCc3c(Cl)cccc3C2)nc(N(C)C)[nH+]1 ZINC000527490738 448237753 /nfs/dbraw/zinc/23/77/53/448237753.db2.gz KJYQNPQPCCCKML-UHFFFAOYSA-N 2 2 346.866 2.370 10 0 EEAELP Cc1nc(NCC[N@H+]2CCc3c(Cl)cccc3C2)nc(N(C)C)[nH+]1 ZINC000527490738 448237757 /nfs/dbraw/zinc/23/77/57/448237757.db2.gz KJYQNPQPCCCKML-UHFFFAOYSA-N 2 2 346.866 2.370 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000354581654 465035769 /nfs/dbraw/zinc/03/57/69/465035769.db2.gz FMJVXCVYPHDQQL-QLFBSQMISA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000354581654 465035772 /nfs/dbraw/zinc/03/57/72/465035772.db2.gz FMJVXCVYPHDQQL-QLFBSQMISA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000354581654 465035778 /nfs/dbraw/zinc/03/57/78/465035778.db2.gz FMJVXCVYPHDQQL-QLFBSQMISA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000354581654 465035781 /nfs/dbraw/zinc/03/57/81/465035781.db2.gz FMJVXCVYPHDQQL-QLFBSQMISA-N 2 2 330.476 2.381 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000341359793 465130012 /nfs/dbraw/zinc/13/00/12/465130012.db2.gz SEPJEYLZKQMCJY-CALCHBBNSA-N 2 2 345.491 2.176 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000341359793 465130016 /nfs/dbraw/zinc/13/00/16/465130016.db2.gz SEPJEYLZKQMCJY-CALCHBBNSA-N 2 2 345.491 2.176 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[NH+]1CCCC[C@@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619801 465254767 /nfs/dbraw/zinc/25/47/67/465254767.db2.gz KTQFDAYXSNNNSH-FJIDUMEYSA-N 2 2 339.524 2.111 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[NH+]1CCCC[C@@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619801 465254771 /nfs/dbraw/zinc/25/47/71/465254771.db2.gz KTQFDAYXSNNNSH-FJIDUMEYSA-N 2 2 339.524 2.111 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619801 465254773 /nfs/dbraw/zinc/25/47/73/465254773.db2.gz KTQFDAYXSNNNSH-FJIDUMEYSA-N 2 2 339.524 2.111 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619801 465254777 /nfs/dbraw/zinc/25/47/77/465254777.db2.gz KTQFDAYXSNNNSH-FJIDUMEYSA-N 2 2 339.524 2.111 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000351630773 465261331 /nfs/dbraw/zinc/26/13/31/465261331.db2.gz SGHCWODZAXLUJD-GOSISDBHSA-N 2 2 334.508 2.470 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000351630773 465261338 /nfs/dbraw/zinc/26/13/38/465261338.db2.gz SGHCWODZAXLUJD-GOSISDBHSA-N 2 2 334.508 2.470 10 0 EEAELP c1c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)nc2ncccn12 ZINC000298223309 465336891 /nfs/dbraw/zinc/33/68/91/465336891.db2.gz AONDAWWNPVENRU-GOSISDBHSA-N 2 2 335.455 2.384 10 0 EEAELP c1c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc2ncccn12 ZINC000298223309 465336893 /nfs/dbraw/zinc/33/68/93/465336893.db2.gz AONDAWWNPVENRU-GOSISDBHSA-N 2 2 335.455 2.384 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2ncccc21 ZINC000112921619 462554341 /nfs/dbraw/zinc/55/43/41/462554341.db2.gz WIJFEDGWRXTMRH-UHFFFAOYSA-N 2 2 340.471 2.333 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2ncccc21 ZINC000112921619 462554343 /nfs/dbraw/zinc/55/43/43/462554343.db2.gz WIJFEDGWRXTMRH-UHFFFAOYSA-N 2 2 340.471 2.333 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045425958 462585113 /nfs/dbraw/zinc/58/51/13/462585113.db2.gz YYAXVCBFUXAPIW-HNNXBMFYSA-N 2 2 329.448 2.050 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045425958 462585116 /nfs/dbraw/zinc/58/51/16/462585116.db2.gz YYAXVCBFUXAPIW-HNNXBMFYSA-N 2 2 329.448 2.050 10 0 EEAELP CCCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000076064537 462799468 /nfs/dbraw/zinc/79/94/68/462799468.db2.gz HEUUOHSAMMTYRJ-UHFFFAOYSA-N 2 2 349.438 2.397 10 0 EEAELP CCCn1nc2c(cc1=O)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000076064537 462799472 /nfs/dbraw/zinc/79/94/72/462799472.db2.gz HEUUOHSAMMTYRJ-UHFFFAOYSA-N 2 2 349.438 2.397 10 0 EEAELP CC(C)[NH+](CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(C)C ZINC000047684027 462814499 /nfs/dbraw/zinc/81/44/99/462814499.db2.gz RKPSGEHARGWRLR-UHFFFAOYSA-N 2 2 347.507 2.468 10 0 EEAELP CCc1noc(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122290367 463252828 /nfs/dbraw/zinc/25/28/28/463252828.db2.gz MVMSPCLAGKSXSN-UHFFFAOYSA-N 2 2 349.479 2.226 10 0 EEAELP CC(=O)Oc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000123121735 463318986 /nfs/dbraw/zinc/31/89/86/463318986.db2.gz LBHIDBXQAZHBIU-LJQANCHMSA-N 2 2 345.487 2.214 10 0 EEAELP CC(=O)Oc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000123121735 463318992 /nfs/dbraw/zinc/31/89/92/463318992.db2.gz LBHIDBXQAZHBIU-LJQANCHMSA-N 2 2 345.487 2.214 10 0 EEAELP CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000072302188 463506816 /nfs/dbraw/zinc/50/68/16/463506816.db2.gz LSAGNHCDJKRQOD-UHFFFAOYSA-N 2 2 335.411 2.007 10 0 EEAELP CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000072302188 463506820 /nfs/dbraw/zinc/50/68/20/463506820.db2.gz LSAGNHCDJKRQOD-UHFFFAOYSA-N 2 2 335.411 2.007 10 0 EEAELP Cc1cc(NCCCC[NH+]2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000057827121 463522661 /nfs/dbraw/zinc/52/26/61/463522661.db2.gz JXALUIWCYLKFMH-UHFFFAOYSA-N 2 2 327.432 2.371 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[N@H+]4CCC[C@@H]4C3)cn2c1 ZINC000171880598 463940606 /nfs/dbraw/zinc/94/06/06/463940606.db2.gz BZKQRPHOLYTZIQ-MRXNPFEDSA-N 2 2 344.484 2.183 10 0 EEAELP COc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000292841968 464361180 /nfs/dbraw/zinc/36/11/80/464361180.db2.gz BDXWNPCMQGXWTE-MQVJKMGUSA-N 2 2 349.450 2.008 10 0 EEAELP COc1ccc(F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000292841968 464361186 /nfs/dbraw/zinc/36/11/86/464361186.db2.gz BDXWNPCMQGXWTE-MQVJKMGUSA-N 2 2 349.450 2.008 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000239351865 464442369 /nfs/dbraw/zinc/44/23/69/464442369.db2.gz AAEIDFDFTGOWCY-RHSMWYFYSA-N 2 2 333.476 2.435 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000239351865 464442378 /nfs/dbraw/zinc/44/23/78/464442378.db2.gz AAEIDFDFTGOWCY-RHSMWYFYSA-N 2 2 333.476 2.435 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182253277 464611261 /nfs/dbraw/zinc/61/12/61/464611261.db2.gz BPQLNZBBQSMEFM-IBGZPJMESA-N 2 2 329.488 2.361 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182253277 464611264 /nfs/dbraw/zinc/61/12/64/464611264.db2.gz BPQLNZBBQSMEFM-IBGZPJMESA-N 2 2 329.488 2.361 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246985495 464638878 /nfs/dbraw/zinc/63/88/78/464638878.db2.gz JWQTUPWBYGTDPL-QFBILLFUSA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246985495 464638884 /nfs/dbraw/zinc/63/88/84/464638884.db2.gz JWQTUPWBYGTDPL-QFBILLFUSA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246985495 464638890 /nfs/dbraw/zinc/63/88/90/464638890.db2.gz JWQTUPWBYGTDPL-QFBILLFUSA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246985495 464638895 /nfs/dbraw/zinc/63/88/95/464638895.db2.gz JWQTUPWBYGTDPL-QFBILLFUSA-N 2 2 347.503 2.364 10 0 EEAELP Cc1nnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1C1CC1 ZINC000182982632 464770325 /nfs/dbraw/zinc/77/03/25/464770325.db2.gz JKMHGIRRYNCBPJ-UHFFFAOYSA-N 2 2 347.507 2.246 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248641746 464778357 /nfs/dbraw/zinc/77/83/57/464778357.db2.gz CRKZZEMBPLWESN-RDJZCZTQSA-N 2 2 332.492 2.139 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248641746 464778361 /nfs/dbraw/zinc/77/83/61/464778361.db2.gz CRKZZEMBPLWESN-RDJZCZTQSA-N 2 2 332.492 2.139 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248641746 464778364 /nfs/dbraw/zinc/77/83/64/464778364.db2.gz CRKZZEMBPLWESN-RDJZCZTQSA-N 2 2 332.492 2.139 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248641746 464778368 /nfs/dbraw/zinc/77/83/68/464778368.db2.gz CRKZZEMBPLWESN-RDJZCZTQSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661169 464782145 /nfs/dbraw/zinc/78/21/45/464782145.db2.gz WSALCFRHJHGTPG-BQFCYCMXSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661169 464782150 /nfs/dbraw/zinc/78/21/50/464782150.db2.gz WSALCFRHJHGTPG-BQFCYCMXSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248661169 464782156 /nfs/dbraw/zinc/78/21/56/464782156.db2.gz WSALCFRHJHGTPG-BQFCYCMXSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248661169 464782163 /nfs/dbraw/zinc/78/21/63/464782163.db2.gz WSALCFRHJHGTPG-BQFCYCMXSA-N 2 2 332.492 2.139 10 0 EEAELP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248660315 464782234 /nfs/dbraw/zinc/78/22/34/464782234.db2.gz VVYDAXDAAULOMI-GJZGRUSLSA-N 2 2 338.521 2.120 10 0 EEAELP CCCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248660315 464782242 /nfs/dbraw/zinc/78/22/42/464782242.db2.gz VVYDAXDAAULOMI-GJZGRUSLSA-N 2 2 338.521 2.120 10 0 EEAELP CCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248660315 464782247 /nfs/dbraw/zinc/78/22/47/464782247.db2.gz VVYDAXDAAULOMI-GJZGRUSLSA-N 2 2 338.521 2.120 10 0 EEAELP CCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248660315 464782254 /nfs/dbraw/zinc/78/22/54/464782254.db2.gz VVYDAXDAAULOMI-GJZGRUSLSA-N 2 2 338.521 2.120 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](F)(c3ccccc3C)C2)CC1 ZINC000337423769 465360002 /nfs/dbraw/zinc/36/00/02/465360002.db2.gz VUJJJIUXYHJFJE-FXAWDEMLSA-N 2 2 347.478 2.418 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](F)(c3ccccc3C)C2)CC1 ZINC000337423769 465360006 /nfs/dbraw/zinc/36/00/06/465360006.db2.gz VUJJJIUXYHJFJE-FXAWDEMLSA-N 2 2 347.478 2.418 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000342861839 465360263 /nfs/dbraw/zinc/36/02/63/465360263.db2.gz OELFQLXEVNPBKO-GOEBONIOSA-N 2 2 332.444 2.003 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000342861839 465360269 /nfs/dbraw/zinc/36/02/69/465360269.db2.gz OELFQLXEVNPBKO-GOEBONIOSA-N 2 2 332.444 2.003 10 0 EEAELP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000348101181 465422336 /nfs/dbraw/zinc/42/23/36/465422336.db2.gz ICLUZUCAIMVTQX-SJORKVTESA-N 2 2 331.508 2.403 10 0 EEAELP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2Cc3ccccc3[C@@H]2C)C1 ZINC000361074348 465746752 /nfs/dbraw/zinc/74/67/52/465746752.db2.gz UFQACIPJCRFWPX-WMZOPIPTSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2Cc3ccccc3[C@@H]2C)C1 ZINC000361074348 465746760 /nfs/dbraw/zinc/74/67/60/465746760.db2.gz UFQACIPJCRFWPX-WMZOPIPTSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+]2Cc3ccccc3[C@@H]2C)C1 ZINC000361074348 465746769 /nfs/dbraw/zinc/74/67/69/465746769.db2.gz UFQACIPJCRFWPX-WMZOPIPTSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+]2Cc3ccccc3[C@@H]2C)C1 ZINC000361074348 465746777 /nfs/dbraw/zinc/74/67/77/465746777.db2.gz UFQACIPJCRFWPX-WMZOPIPTSA-N 2 2 345.487 2.036 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000346171086 465960175 /nfs/dbraw/zinc/96/01/75/465960175.db2.gz NVTDIDLGAMEPIQ-QFBILLFUSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000346171086 465960181 /nfs/dbraw/zinc/96/01/81/465960181.db2.gz NVTDIDLGAMEPIQ-QFBILLFUSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000346171086 465960189 /nfs/dbraw/zinc/96/01/89/465960189.db2.gz NVTDIDLGAMEPIQ-QFBILLFUSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000346171086 465960197 /nfs/dbraw/zinc/96/01/97/465960197.db2.gz NVTDIDLGAMEPIQ-QFBILLFUSA-N 3 2 325.460 2.492 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)OCO2 ZINC000340420114 466080041 /nfs/dbraw/zinc/08/00/41/466080041.db2.gz ZVQUFRIDVNUKGZ-HOTGVXAUSA-N 2 2 348.443 2.157 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)OCO2 ZINC000340420114 466080047 /nfs/dbraw/zinc/08/00/47/466080047.db2.gz ZVQUFRIDVNUKGZ-HOTGVXAUSA-N 2 2 348.443 2.157 10 0 EEAELP Cc1ccc(CC[C@H](C)[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)o1 ZINC000372047729 466135241 /nfs/dbraw/zinc/13/52/41/466135241.db2.gz UALIDIIMZSZUES-KRWDZBQOSA-N 2 2 349.519 2.295 10 0 EEAELP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)o1 ZINC000372047729 466135249 /nfs/dbraw/zinc/13/52/49/466135249.db2.gz UALIDIIMZSZUES-KRWDZBQOSA-N 2 2 349.519 2.295 10 0 EEAELP COc1cc(C)[nH+]c(Cn2c3ccccc3[nH+]c2NC[C@@H](C)O)c1 ZINC000353933624 466265534 /nfs/dbraw/zinc/26/55/34/466265534.db2.gz NWBFQOVROWZBRC-CYBMUJFWSA-N 2 2 326.400 2.589 10 0 EEAELP c1[nH]nc2c1[C@@H]([NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)CCC2 ZINC000367626262 466457832 /nfs/dbraw/zinc/45/78/32/466457832.db2.gz NSBDKLSPIUYOGI-SFHVURJKSA-N 2 2 326.444 2.409 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]C[C@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000310828144 466518471 /nfs/dbraw/zinc/51/84/71/466518471.db2.gz YHMNLSUBDPJQOW-KPFFTGBYSA-N 2 2 344.455 2.410 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]C[C@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000310828144 466518476 /nfs/dbraw/zinc/51/84/76/466518476.db2.gz YHMNLSUBDPJQOW-KPFFTGBYSA-N 2 2 344.455 2.410 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@H+](Cc3c[nH+]c(C)n3C)C2)s1 ZINC000597254703 468497588 /nfs/dbraw/zinc/49/75/88/468497588.db2.gz PXYIYNNJAUDKDS-GFCCVEGCSA-N 2 2 334.445 2.351 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@@H+](Cc3c[nH+]c(C)n3C)C2)s1 ZINC000597254703 468497593 /nfs/dbraw/zinc/49/75/93/468497593.db2.gz PXYIYNNJAUDKDS-GFCCVEGCSA-N 2 2 334.445 2.351 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCCC[NH+]1CCCCC1)CC2 ZINC000374660944 466707837 /nfs/dbraw/zinc/70/78/37/466707837.db2.gz KQAKENXHTLKIGW-UHFFFAOYSA-N 2 2 333.480 2.373 10 0 EEAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418268955 467086828 /nfs/dbraw/zinc/08/68/28/467086828.db2.gz YOTYJDBLIAKNAH-WFASDCNBSA-N 2 2 347.850 2.323 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000418709840 467149035 /nfs/dbraw/zinc/14/90/35/467149035.db2.gz VEJNUHLXRVICNJ-IHRRRGAJSA-N 2 2 338.883 2.464 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427845834 467182687 /nfs/dbraw/zinc/18/26/87/467182687.db2.gz GAZVXTSBHCWMST-RDTXWAMCSA-N 2 2 327.428 2.379 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427845834 467182690 /nfs/dbraw/zinc/18/26/90/467182690.db2.gz GAZVXTSBHCWMST-RDTXWAMCSA-N 2 2 327.428 2.379 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOCC23CCCCC3)CC1 ZINC000451814671 467269096 /nfs/dbraw/zinc/26/90/96/467269096.db2.gz KXJYLZOQZHXWER-UHFFFAOYSA-N 2 2 337.508 2.011 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOCC23CCCCC3)CC1 ZINC000451814671 467269100 /nfs/dbraw/zinc/26/91/00/467269100.db2.gz KXJYLZOQZHXWER-UHFFFAOYSA-N 2 2 337.508 2.011 10 0 EEAELP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000414923449 467450344 /nfs/dbraw/zinc/45/03/44/467450344.db2.gz HERWGZDZVQTBAR-HZMBPMFUSA-N 2 2 325.250 2.472 10 0 EEAELP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414947237 467456379 /nfs/dbraw/zinc/45/63/79/467456379.db2.gz VUHRPVGMVJUSOU-YOEHRIQHSA-N 2 2 342.443 2.137 10 0 EEAELP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000453105609 467461216 /nfs/dbraw/zinc/46/12/16/467461216.db2.gz XGNLBJQTEHXXQQ-ZANVPECISA-N 2 2 331.229 2.088 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(-c2ccnn2C)c1 ZINC000449395143 467637143 /nfs/dbraw/zinc/63/71/43/467637143.db2.gz IBAYGPMRHBAQTO-GOSISDBHSA-N 2 2 342.487 2.332 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(-c2ccnn2C)c1 ZINC000449395143 467637148 /nfs/dbraw/zinc/63/71/48/467637148.db2.gz IBAYGPMRHBAQTO-GOSISDBHSA-N 2 2 342.487 2.332 10 0 EEAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449395006 467637268 /nfs/dbraw/zinc/63/72/68/467637268.db2.gz PAODRHZDGVASJJ-RDJZCZTQSA-N 2 2 336.476 2.071 10 0 EEAELP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449395006 467637270 /nfs/dbraw/zinc/63/72/70/467637270.db2.gz PAODRHZDGVASJJ-RDJZCZTQSA-N 2 2 336.476 2.071 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000530245459 467967607 /nfs/dbraw/zinc/96/76/07/467967607.db2.gz YMYWXHLPGQVTPN-MAUKXSAKSA-N 2 2 334.460 2.344 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000530245459 467967609 /nfs/dbraw/zinc/96/76/09/467967609.db2.gz YMYWXHLPGQVTPN-MAUKXSAKSA-N 2 2 334.460 2.344 10 0 EEAELP C[N@H+](Cc1ccccc1)C1(CNC(=O)C[NH+]2CC(C)(C)C2)CCC1 ZINC000517391106 468084212 /nfs/dbraw/zinc/08/42/12/468084212.db2.gz IRDYDLVMQGDGFV-UHFFFAOYSA-N 2 2 329.488 2.499 10 0 EEAELP C[N@@H+](Cc1ccccc1)C1(CNC(=O)C[NH+]2CC(C)(C)C2)CCC1 ZINC000517391106 468084214 /nfs/dbraw/zinc/08/42/14/468084214.db2.gz IRDYDLVMQGDGFV-UHFFFAOYSA-N 2 2 329.488 2.499 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)ccc2n1[C@@H](C)CO ZINC000519638441 468186964 /nfs/dbraw/zinc/18/69/64/468186964.db2.gz BMYSJASNMVZXHM-OLZOCXBDSA-N 2 2 330.432 2.178 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)C[N@H+]3CC[C@@H](C)C3)ccc2n1[C@@H](C)CO ZINC000519638441 468186969 /nfs/dbraw/zinc/18/69/69/468186969.db2.gz BMYSJASNMVZXHM-OLZOCXBDSA-N 2 2 330.432 2.178 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1(O)CCC1 ZINC000551900732 468268466 /nfs/dbraw/zinc/26/84/66/468268466.db2.gz CDJXHGAENLQLFT-ZDUSSCGKSA-N 2 2 328.416 2.251 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1(O)CCC1 ZINC000551900732 468268472 /nfs/dbraw/zinc/26/84/72/468268472.db2.gz CDJXHGAENLQLFT-ZDUSSCGKSA-N 2 2 328.416 2.251 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CCN(c4c[nH+]ccc4C)CC3)ccn12 ZINC000569743847 468537193 /nfs/dbraw/zinc/53/71/93/468537193.db2.gz NWSHMXXRSARNCS-UHFFFAOYSA-N 2 2 335.411 2.309 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000600771842 468653273 /nfs/dbraw/zinc/65/32/73/468653273.db2.gz BMPYGZSINQIPBG-WCQYABFASA-N 2 2 332.400 2.458 10 0 EEAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000595108129 468759894 /nfs/dbraw/zinc/75/98/94/468759894.db2.gz ZSLALKKJMZTOLX-ZBFHGGJFSA-N 2 2 326.481 2.197 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000595556260 468901248 /nfs/dbraw/zinc/90/12/48/468901248.db2.gz BEXHJMVAKOVXBZ-OAHLLOKOSA-N 2 2 328.497 2.131 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000595556260 468901253 /nfs/dbraw/zinc/90/12/53/468901253.db2.gz BEXHJMVAKOVXBZ-OAHLLOKOSA-N 2 2 328.497 2.131 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)n1C ZINC000596063272 469134668 /nfs/dbraw/zinc/13/46/68/469134668.db2.gz KJVMSSGLRIXUPM-OAHLLOKOSA-N 2 2 336.480 2.334 10 0 EEAELP C[C@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000588968755 469185123 /nfs/dbraw/zinc/18/51/23/469185123.db2.gz BBYZOGLCLQQRRB-HUUCEWRRSA-N 2 2 333.480 2.139 10 0 EEAELP C[C@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000588968755 469185128 /nfs/dbraw/zinc/18/51/28/469185128.db2.gz BBYZOGLCLQQRRB-HUUCEWRRSA-N 2 2 333.480 2.139 10 0 EEAELP [NH3+]C1(C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CCOCC1 ZINC000629387403 469529040 /nfs/dbraw/zinc/52/90/40/469529040.db2.gz ITLJEKCAOPFJIC-UHFFFAOYSA-N 2 2 334.851 2.182 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CC2 ZINC000626220142 469546541 /nfs/dbraw/zinc/54/65/41/469546541.db2.gz GVFQYHZJUGPFGR-RYRKJORJSA-N 2 2 342.487 2.229 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CC2 ZINC000626220142 469546545 /nfs/dbraw/zinc/54/65/45/469546545.db2.gz GVFQYHZJUGPFGR-RYRKJORJSA-N 2 2 342.487 2.229 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1Cl ZINC000629584424 469584638 /nfs/dbraw/zinc/58/46/38/469584638.db2.gz QTBBBLSUYRJGII-XWIAVFTESA-N 2 2 335.879 2.449 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1Cl ZINC000629584424 469584641 /nfs/dbraw/zinc/58/46/41/469584641.db2.gz QTBBBLSUYRJGII-XWIAVFTESA-N 2 2 335.879 2.449 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C ZINC000617506999 469707044 /nfs/dbraw/zinc/70/70/44/469707044.db2.gz DVYPVODZEQAXDX-ARFHVFGLSA-N 2 2 339.524 2.016 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C ZINC000617506999 469707046 /nfs/dbraw/zinc/70/70/46/469707046.db2.gz DVYPVODZEQAXDX-ARFHVFGLSA-N 2 2 339.524 2.016 10 0 EEAELP C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[NH2+]1 ZINC000626932792 469760205 /nfs/dbraw/zinc/76/02/05/469760205.db2.gz ZZOQCULRDOTVER-HOCLYGCPSA-N 2 2 331.464 2.012 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620192246 469785609 /nfs/dbraw/zinc/78/56/09/469785609.db2.gz IZNHOUPNEDMNSP-GOSISDBHSA-N 2 2 338.455 2.302 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620192246 469785613 /nfs/dbraw/zinc/78/56/13/469785613.db2.gz IZNHOUPNEDMNSP-GOSISDBHSA-N 2 2 338.455 2.302 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000617764686 469795431 /nfs/dbraw/zinc/79/54/31/469795431.db2.gz CBZZZDOZYZSQCW-LJQANCHMSA-N 2 2 347.503 2.194 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([C@@H]2CCCOC2)cc1 ZINC000617764686 469795434 /nfs/dbraw/zinc/79/54/34/469795434.db2.gz CBZZZDOZYZSQCW-LJQANCHMSA-N 2 2 347.503 2.194 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(-c2ccccc2)cs1 ZINC000617764457 469796341 /nfs/dbraw/zinc/79/63/41/469796341.db2.gz YNGFIEYFJUDKJV-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(-c2ccccc2)cs1 ZINC000617764457 469796343 /nfs/dbraw/zinc/79/63/43/469796343.db2.gz YNGFIEYFJUDKJV-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1SCCc2ccccc21 ZINC000617766566 469797334 /nfs/dbraw/zinc/79/73/34/469797334.db2.gz PMYNNHWIQHTFPG-QGZVFWFLSA-N 2 2 335.517 2.017 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1SCCc2ccccc21 ZINC000617766566 469797344 /nfs/dbraw/zinc/79/73/44/469797344.db2.gz PMYNNHWIQHTFPG-QGZVFWFLSA-N 2 2 335.517 2.017 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(Br)c1 ZINC000617768681 469798451 /nfs/dbraw/zinc/79/84/51/469798451.db2.gz PRUONIXGFVTMTI-UHFFFAOYSA-N 2 2 342.281 2.062 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(Br)c1 ZINC000617768681 469798453 /nfs/dbraw/zinc/79/84/53/469798453.db2.gz PRUONIXGFVTMTI-UHFFFAOYSA-N 2 2 342.281 2.062 10 0 EEAELP c1n[nH]cc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000624215245 469877221 /nfs/dbraw/zinc/87/72/21/469877221.db2.gz ZFPHIOHYDGEYMX-UHFFFAOYSA-N 2 2 327.476 2.097 10 0 EEAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N(C)CC1C[NH+](C)C1 ZINC000618191975 469916727 /nfs/dbraw/zinc/91/67/27/469916727.db2.gz ZMKIKQOSZIDVNF-UHFFFAOYSA-N 2 2 328.460 2.399 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)CC2 ZINC000624750718 470015482 /nfs/dbraw/zinc/01/54/82/470015482.db2.gz WRIZFCCZSWCOJJ-MRXNPFEDSA-N 2 2 332.492 2.477 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)CC2 ZINC000624750718 470015485 /nfs/dbraw/zinc/01/54/85/470015485.db2.gz WRIZFCCZSWCOJJ-MRXNPFEDSA-N 2 2 332.492 2.477 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000628062869 470049686 /nfs/dbraw/zinc/04/96/86/470049686.db2.gz RMPDEQBEXXYXHI-UHFFFAOYSA-N 2 2 332.492 2.383 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C2CC2)[nH]c1C1CC1 ZINC000628062869 470049689 /nfs/dbraw/zinc/04/96/89/470049689.db2.gz RMPDEQBEXXYXHI-UHFFFAOYSA-N 2 2 332.492 2.383 10 0 EEAELP COc1ccc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1OC1CC1 ZINC000628352261 470095587 /nfs/dbraw/zinc/09/55/87/470095587.db2.gz CCMPBBKCSPLOQZ-UHFFFAOYSA-N 2 2 342.443 2.292 10 0 EEAELP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000622047167 470153755 /nfs/dbraw/zinc/15/37/55/470153755.db2.gz NZVCTZBNGROYGH-XEZPLFJOSA-N 2 2 330.432 2.353 10 0 EEAELP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000622047167 470153758 /nfs/dbraw/zinc/15/37/58/470153758.db2.gz NZVCTZBNGROYGH-XEZPLFJOSA-N 2 2 330.432 2.353 10 0 EEAELP C[C@@H]1C[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1C[NH3+] ZINC000631837661 470186628 /nfs/dbraw/zinc/18/66/28/470186628.db2.gz VNPRPYLMUGILEU-UEKVPHQBSA-N 2 2 325.815 2.111 10 0 EEAELP C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)C[C@H]1C[NH3+] ZINC000631837661 470186629 /nfs/dbraw/zinc/18/66/29/470186629.db2.gz VNPRPYLMUGILEU-UEKVPHQBSA-N 2 2 325.815 2.111 10 0 EEAELP CC(C)n1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634705323 470282611 /nfs/dbraw/zinc/28/26/11/470282611.db2.gz YHJNPZGIHQEWIL-IBGZPJMESA-N 2 2 328.460 2.191 10 0 EEAELP CC(C)n1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634705323 470282613 /nfs/dbraw/zinc/28/26/13/470282613.db2.gz YHJNPZGIHQEWIL-IBGZPJMESA-N 2 2 328.460 2.191 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636305597 470289976 /nfs/dbraw/zinc/28/99/76/470289976.db2.gz XMAWNEPNZNVODG-DZJNRPSUSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636305597 470289981 /nfs/dbraw/zinc/28/99/81/470289981.db2.gz XMAWNEPNZNVODG-DZJNRPSUSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636305597 470289984 /nfs/dbraw/zinc/28/99/84/470289984.db2.gz XMAWNEPNZNVODG-DZJNRPSUSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636305597 470289990 /nfs/dbraw/zinc/28/99/90/470289990.db2.gz XMAWNEPNZNVODG-DZJNRPSUSA-N 2 2 338.455 2.398 10 0 EEAELP c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@H]4C[NH2+]CC[C@@H]43)c12 ZINC000634812464 470324770 /nfs/dbraw/zinc/32/47/70/470324770.db2.gz ITXTYECZRMMNHT-YOEHRIQHSA-N 2 2 334.427 2.394 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1F ZINC000647528151 470923286 /nfs/dbraw/zinc/92/32/86/470923286.db2.gz PNNVEULJTDGVGK-KNBMTAEXSA-N 2 2 346.446 2.330 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1F ZINC000647528151 470923291 /nfs/dbraw/zinc/92/32/91/470923291.db2.gz PNNVEULJTDGVGK-KNBMTAEXSA-N 2 2 346.446 2.330 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644548252 470979594 /nfs/dbraw/zinc/97/95/94/470979594.db2.gz WWKPLIAYUJGMHB-VXGBXAGGSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644548252 470979600 /nfs/dbraw/zinc/97/96/00/470979600.db2.gz WWKPLIAYUJGMHB-VXGBXAGGSA-N 2 2 333.259 2.417 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900978 471011099 /nfs/dbraw/zinc/01/10/99/471011099.db2.gz IERURGWECNEFTE-QXAKKESOSA-N 2 2 329.488 2.464 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900978 471011101 /nfs/dbraw/zinc/01/11/01/471011101.db2.gz IERURGWECNEFTE-QXAKKESOSA-N 2 2 329.488 2.464 10 0 EEAELP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899770 471011471 /nfs/dbraw/zinc/01/14/71/471011471.db2.gz WFPLAPGCIIIBJM-ARFHVFGLSA-N 2 2 331.460 2.486 10 0 EEAELP COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899770 471011475 /nfs/dbraw/zinc/01/14/75/471011475.db2.gz WFPLAPGCIIIBJM-ARFHVFGLSA-N 2 2 331.460 2.486 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901447 471012543 /nfs/dbraw/zinc/01/25/43/471012543.db2.gz OXNJKXALMYWCFW-AEFFLSMTSA-N 2 2 336.501 2.314 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901447 471012547 /nfs/dbraw/zinc/01/25/47/471012547.db2.gz OXNJKXALMYWCFW-AEFFLSMTSA-N 2 2 336.501 2.314 10 0 EEAELP CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647904048 471013067 /nfs/dbraw/zinc/01/30/67/471013067.db2.gz VJLKLZILKCAZIG-YOEHRIQHSA-N 2 2 335.517 2.391 10 0 EEAELP CCc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647904048 471013072 /nfs/dbraw/zinc/01/30/72/471013072.db2.gz VJLKLZILKCAZIG-YOEHRIQHSA-N 2 2 335.517 2.391 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000645012036 471118944 /nfs/dbraw/zinc/11/89/44/471118944.db2.gz LNBAQAIZBYUOAS-LEWJYISDSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000645012036 471118947 /nfs/dbraw/zinc/11/89/47/471118947.db2.gz LNBAQAIZBYUOAS-LEWJYISDSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000645012036 471118954 /nfs/dbraw/zinc/11/89/54/471118954.db2.gz LNBAQAIZBYUOAS-LEWJYISDSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000645012036 471118958 /nfs/dbraw/zinc/11/89/58/471118958.db2.gz LNBAQAIZBYUOAS-LEWJYISDSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000652285065 471266736 /nfs/dbraw/zinc/26/67/36/471266736.db2.gz KMEZUNPTOQPEGT-UHFFFAOYSA-N 2 2 341.459 2.493 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)C1 ZINC000655165977 471275945 /nfs/dbraw/zinc/27/59/45/471275945.db2.gz ZCNKOVCBZPRRMO-WBVHZDCISA-N 2 2 326.444 2.162 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)C1 ZINC000655165977 471275947 /nfs/dbraw/zinc/27/59/47/471275947.db2.gz ZCNKOVCBZPRRMO-WBVHZDCISA-N 2 2 326.444 2.162 10 0 EEAELP O=C(NCC[NH+]1Cc2ccccc2C1)NCc1ccc2c[nH+]cn2c1 ZINC000655244338 471290528 /nfs/dbraw/zinc/29/05/28/471290528.db2.gz FANNBISQYYCQOV-UHFFFAOYSA-N 2 2 335.411 2.149 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-n2cc[nH+]c2)ccn1 ZINC000655349837 471306143 /nfs/dbraw/zinc/30/61/43/471306143.db2.gz HGXWMMVJRUNYQC-DOTOQJQBSA-N 2 2 325.416 2.014 10 0 EEAELP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-n2cc[nH+]c2)ccn1 ZINC000655349837 471306146 /nfs/dbraw/zinc/30/61/46/471306146.db2.gz HGXWMMVJRUNYQC-DOTOQJQBSA-N 2 2 325.416 2.014 10 0 EEAELP C[C@@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1[nH+]ccn1C ZINC000660697553 471447990 /nfs/dbraw/zinc/44/79/90/471447990.db2.gz HVZXNQUUOWFGID-IUODEOHRSA-N 2 2 333.411 2.222 10 0 EEAELP c1c(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)nn2c1CCCC2 ZINC000655704510 471448150 /nfs/dbraw/zinc/44/81/50/471448150.db2.gz DJMHLBBGPVXDNR-UHFFFAOYSA-N 2 2 340.471 2.341 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCCc2ccccc21 ZINC000663677959 471470676 /nfs/dbraw/zinc/47/06/76/471470676.db2.gz FHBHFGLAJKNLRL-GOSISDBHSA-N 2 2 346.519 2.289 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCc2ccccc21 ZINC000663677959 471470681 /nfs/dbraw/zinc/47/06/81/471470681.db2.gz FHBHFGLAJKNLRL-GOSISDBHSA-N 2 2 346.519 2.289 10 0 EEAELP CC(C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@H]1CCCc2cccnc21 ZINC000653156767 471510872 /nfs/dbraw/zinc/51/08/72/471510872.db2.gz KYTGYSVZPSRXQW-IRXDYDNUSA-N 2 2 332.492 2.223 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000653273448 471562833 /nfs/dbraw/zinc/56/28/33/471562833.db2.gz BNAFTGVTOILNLJ-ZDUSSCGKSA-N 2 2 329.366 2.090 10 0 EEAELP CC(C)c1cnc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000666886588 471573556 /nfs/dbraw/zinc/57/35/56/471573556.db2.gz ZAIHHPJXTKJVBM-UHFFFAOYSA-N 2 2 327.498 2.272 10 0 EEAELP CC(C)c1cnc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000666886588 471573562 /nfs/dbraw/zinc/57/35/62/471573562.db2.gz ZAIHHPJXTKJVBM-UHFFFAOYSA-N 2 2 327.498 2.272 10 0 EEAELP [NH3+]C[C@@H](NCc1c[nH+]c2ccc(Br)cn12)C(F)(F)F ZINC000656195916 471629397 /nfs/dbraw/zinc/62/93/97/471629397.db2.gz IISULWPWIDVPQR-SECBINFHSA-N 2 2 337.143 2.076 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)Nc1cc[nH+]cc1N(C)C)CC(C)C ZINC000670078816 471672271 /nfs/dbraw/zinc/67/22/71/471672271.db2.gz ZLSAWLNNJXHQOH-OAHLLOKOSA-N 2 2 335.496 2.448 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667425196 471774299 /nfs/dbraw/zinc/77/42/99/471774299.db2.gz ZNKXLPRTLASLHR-MRXNPFEDSA-N 2 2 326.444 2.105 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667425196 471774302 /nfs/dbraw/zinc/77/43/02/471774302.db2.gz ZNKXLPRTLASLHR-MRXNPFEDSA-N 2 2 326.444 2.105 10 0 EEAELP Cc1oc2ccccc2c1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664687214 471834287 /nfs/dbraw/zinc/83/42/87/471834287.db2.gz CPUBTYIOZUTBLS-UHFFFAOYSA-N 2 2 346.475 2.424 10 0 EEAELP Cc1oc2ccccc2c1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664687214 471834291 /nfs/dbraw/zinc/83/42/91/471834291.db2.gz CPUBTYIOZUTBLS-UHFFFAOYSA-N 2 2 346.475 2.424 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000664804644 471866247 /nfs/dbraw/zinc/86/62/47/471866247.db2.gz MIHWYQIGWJPISJ-IYARVYRRSA-N 2 2 332.492 2.115 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000664804644 471866249 /nfs/dbraw/zinc/86/62/49/471866249.db2.gz MIHWYQIGWJPISJ-IYARVYRRSA-N 2 2 332.492 2.115 10 0 EEAELP CSc1ccc(OCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662159286 472015341 /nfs/dbraw/zinc/01/53/41/472015341.db2.gz WQTWCEUAFHACCJ-MRXNPFEDSA-N 2 2 336.501 2.318 10 0 EEAELP CSc1ccc(OCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662159286 472015345 /nfs/dbraw/zinc/01/53/45/472015345.db2.gz WQTWCEUAFHACCJ-MRXNPFEDSA-N 2 2 336.501 2.318 10 0 EEAELP OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1C[NH2+]CCO1 ZINC000662253826 472044208 /nfs/dbraw/zinc/04/42/08/472044208.db2.gz LUPCLXFZRPBQHK-ZDUSSCGKSA-N 2 2 333.259 2.166 10 0 EEAELP OCCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1C[NH2+]CCO1 ZINC000662253826 472044212 /nfs/dbraw/zinc/04/42/12/472044212.db2.gz LUPCLXFZRPBQHK-ZDUSSCGKSA-N 2 2 333.259 2.166 10 0 EEAELP C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc2c1CC[NH2+]C2 ZINC000662275851 472053535 /nfs/dbraw/zinc/05/35/35/472053535.db2.gz BHGCAUYBABACKV-UHFFFAOYSA-N 2 2 335.411 2.409 10 0 EEAELP C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1cccc2c1CC[NH2+]C2 ZINC000662275851 472053538 /nfs/dbraw/zinc/05/35/38/472053538.db2.gz BHGCAUYBABACKV-UHFFFAOYSA-N 2 2 335.411 2.409 10 0 EEAELP Cc1cccc([C@H]2C(=O)NCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662317994 472068070 /nfs/dbraw/zinc/06/80/70/472068070.db2.gz VQHLJLDJFXPVMH-FQEVSTJZSA-N 2 2 335.451 2.314 10 0 EEAELP Cc1cccc([C@H]2C(=O)NCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662317994 472068071 /nfs/dbraw/zinc/06/80/71/472068071.db2.gz VQHLJLDJFXPVMH-FQEVSTJZSA-N 2 2 335.451 2.314 10 0 EEAELP CCc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000665536772 472082893 /nfs/dbraw/zinc/08/28/93/472082893.db2.gz ZBNQIRBIAUJRMB-APWZRJJASA-N 2 2 340.471 2.496 10 0 EEAELP CCc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)cc1 ZINC000665536772 472082898 /nfs/dbraw/zinc/08/28/98/472082898.db2.gz ZBNQIRBIAUJRMB-APWZRJJASA-N 2 2 340.471 2.496 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000665540406 472085303 /nfs/dbraw/zinc/08/53/03/472085303.db2.gz JSAPFFFEHHQOGD-INIZCTEOSA-N 2 2 326.444 2.153 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000665540406 472085308 /nfs/dbraw/zinc/08/53/08/472085308.db2.gz JSAPFFFEHHQOGD-INIZCTEOSA-N 2 2 326.444 2.153 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000665540406 472085314 /nfs/dbraw/zinc/08/53/14/472085314.db2.gz JSAPFFFEHHQOGD-INIZCTEOSA-N 2 2 326.444 2.153 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000665540406 472085319 /nfs/dbraw/zinc/08/53/19/472085319.db2.gz JSAPFFFEHHQOGD-INIZCTEOSA-N 2 2 326.444 2.153 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662590596 472167690 /nfs/dbraw/zinc/16/76/90/472167690.db2.gz BYGWHUYWDZPFAM-MRXNPFEDSA-N 2 2 339.443 2.119 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](Nc1nc2c(cnn2C)c(N)[nH+]1)c1ccccc1 ZINC000683458399 485534964 /nfs/dbraw/zinc/53/49/64/485534964.db2.gz DJWDOSVRXWQMKU-CQSZACIVSA-N 2 2 348.414 2.075 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC000679227170 485624680 /nfs/dbraw/zinc/62/46/80/485624680.db2.gz XBFRKMCNIITXJD-AEFFLSMTSA-N 2 2 333.451 2.011 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1F ZINC000679227170 485624686 /nfs/dbraw/zinc/62/46/86/485624686.db2.gz XBFRKMCNIITXJD-AEFFLSMTSA-N 2 2 333.451 2.011 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000680389213 485958885 /nfs/dbraw/zinc/95/88/85/485958885.db2.gz RJRYJXSVIQTSNH-GBESFXJTSA-N 2 2 334.504 2.208 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000680389213 485958892 /nfs/dbraw/zinc/95/88/92/485958892.db2.gz RJRYJXSVIQTSNH-GBESFXJTSA-N 2 2 334.504 2.208 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000680389213 485958898 /nfs/dbraw/zinc/95/88/98/485958898.db2.gz RJRYJXSVIQTSNH-GBESFXJTSA-N 2 2 334.504 2.208 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000680389213 485958906 /nfs/dbraw/zinc/95/89/06/485958906.db2.gz RJRYJXSVIQTSNH-GBESFXJTSA-N 2 2 334.504 2.208 10 0 EEAELP O[C@H](C[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl)C[NH+]1CCCC1 ZINC000675766160 486063970 /nfs/dbraw/zinc/06/39/70/486063970.db2.gz DVCUOLDEXIGSCU-ZWNOBZJWSA-N 2 2 331.243 2.473 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000680913965 486084884 /nfs/dbraw/zinc/08/48/84/486084884.db2.gz IMDBHQGAPDCBKF-ZBFHGGJFSA-N 2 2 336.505 2.231 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000680913965 486084889 /nfs/dbraw/zinc/08/48/89/486084889.db2.gz IMDBHQGAPDCBKF-ZBFHGGJFSA-N 2 2 336.505 2.231 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC([NH+](C)C)CC1 ZINC000681082444 486132770 /nfs/dbraw/zinc/13/27/70/486132770.db2.gz LZGUDXVWTMPLST-CQSZACIVSA-N 2 2 341.459 2.430 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)c3ccc(F)cc3C)CC2)c1 ZINC000746665604 577931907 /nfs/dbraw/zinc/93/19/07/577931907.db2.gz FHBGMUVNURARET-SFHVURJKSA-N 2 2 345.418 2.393 10 0 EEAELP Cc1coc(-c2cccc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)c2)n1 ZINC000926061914 676011575 /nfs/dbraw/zinc/01/15/75/676011575.db2.gz SPNLSUGTRGNLLV-UHFFFAOYSA-N 2 2 343.431 2.195 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)Cc3cnnn3C)cc2)C[C@H](C)O1 ZINC000895740574 684704462 /nfs/dbraw/zinc/70/44/62/684704462.db2.gz WFOZDKZLMHNUGF-IYBDPMFKSA-N 2 2 343.475 2.056 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)Cc3cnnn3C)cc2)C[C@H](C)O1 ZINC000895740574 684704465 /nfs/dbraw/zinc/70/44/65/684704465.db2.gz WFOZDKZLMHNUGF-IYBDPMFKSA-N 2 2 343.475 2.056 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)Cc3cnnn3C)cc2)C[C@H](C)O1 ZINC000895740574 684704467 /nfs/dbraw/zinc/70/44/67/684704467.db2.gz WFOZDKZLMHNUGF-IYBDPMFKSA-N 2 2 343.475 2.056 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)Cc3cnnn3C)cc2)C[C@H](C)O1 ZINC000895740574 684704470 /nfs/dbraw/zinc/70/44/70/684704470.db2.gz WFOZDKZLMHNUGF-IYBDPMFKSA-N 2 2 343.475 2.056 10 0 EEAELP Cc1nc(C[N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c(C)s1 ZINC001485578274 1191846001 /nfs/dbraw/zinc/84/60/01/1191846001.db2.gz WEVSSVCBVDEBME-OAHLLOKOSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c(C)s1 ZINC001485578274 1191846003 /nfs/dbraw/zinc/84/60/03/1191846003.db2.gz WEVSSVCBVDEBME-OAHLLOKOSA-N 2 2 338.521 2.038 10 0 EEAELP C[C@H](CCC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740420 1191917063 /nfs/dbraw/zinc/91/70/63/1191917063.db2.gz NINNDZYTPBTKRO-GFCCVEGCSA-N 2 2 336.386 2.305 10 0 EEAELP Cc1nc(C[NH2+][C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C2CC2)co1 ZINC001266415606 1176507004 /nfs/dbraw/zinc/50/70/04/1176507004.db2.gz XBTJVNMPHKMLCZ-QGZVFWFLSA-N 2 2 339.399 2.158 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCCC[N@H+](Cc1cscn1)C(C)C ZINC001691763055 1176814001 /nfs/dbraw/zinc/81/40/01/1176814001.db2.gz JDZGDCTXIWUJLZ-UHFFFAOYSA-N 2 2 335.477 2.065 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCCC[N@@H+](Cc1cscn1)C(C)C ZINC001691763055 1176814008 /nfs/dbraw/zinc/81/40/08/1176814008.db2.gz JDZGDCTXIWUJLZ-UHFFFAOYSA-N 2 2 335.477 2.065 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001670539834 1176874163 /nfs/dbraw/zinc/87/41/63/1176874163.db2.gz SSJFVYTYTAYCSL-INIZCTEOSA-N 2 2 346.862 2.333 10 0 EEAELP CC(C)OCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001266609966 1176966557 /nfs/dbraw/zinc/96/65/57/1176966557.db2.gz FJGUSYRKEUQHJH-QAQDUYKDSA-N 2 2 342.443 2.148 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@H]1CC[N@@H+]1CCCCC(F)(F)F ZINC001691050956 1177447695 /nfs/dbraw/zinc/44/76/95/1177447695.db2.gz SQNWJWJJKDSBOS-CQSZACIVSA-N 2 2 346.397 2.457 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@H]1CC[N@H+]1CCCCC(F)(F)F ZINC001691050956 1177447699 /nfs/dbraw/zinc/44/76/99/1177447699.db2.gz SQNWJWJJKDSBOS-CQSZACIVSA-N 2 2 346.397 2.457 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CC[C@H]2CN(C)C(=O)CCCC[NH+](C)C)cn1 ZINC001691409865 1178016839 /nfs/dbraw/zinc/01/68/39/1178016839.db2.gz IWTJIVFWOQZJHK-IRXDYDNUSA-N 2 2 347.507 2.111 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CC[C@H]2CN(C)C(=O)CCCC[NH+](C)C)cn1 ZINC001691409865 1178016847 /nfs/dbraw/zinc/01/68/47/1178016847.db2.gz IWTJIVFWOQZJHK-IRXDYDNUSA-N 2 2 347.507 2.111 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]CCC(F)(F)F)C1CC1 ZINC001267863928 1180649924 /nfs/dbraw/zinc/64/99/24/1180649924.db2.gz RUZJKQACBRWEKN-AWEZNQCLSA-N 2 2 332.370 2.088 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001481411731 1181252085 /nfs/dbraw/zinc/25/20/85/1181252085.db2.gz IFTJCQCYVVQJQS-DLBZAZTESA-N 2 2 348.491 2.453 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001481411731 1181252092 /nfs/dbraw/zinc/25/20/92/1181252092.db2.gz IFTJCQCYVVQJQS-DLBZAZTESA-N 2 2 348.491 2.453 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCCCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268202416 1182001229 /nfs/dbraw/zinc/00/12/29/1182001229.db2.gz VEJXSHARHMXIDO-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCCCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268202416 1182001235 /nfs/dbraw/zinc/00/12/35/1182001235.db2.gz VEJXSHARHMXIDO-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1ncc(C)s1 ZINC001481825153 1182753093 /nfs/dbraw/zinc/75/30/93/1182753093.db2.gz IJJNPULIIPLXNU-CQSZACIVSA-N 2 2 349.504 2.376 10 0 EEAELP Cc1ncc(C[NH2+]C/C=C/CNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001268596604 1183448204 /nfs/dbraw/zinc/44/82/04/1183448204.db2.gz JVKKFRROBGNTSX-ITDFMYJTSA-N 2 2 333.461 2.061 10 0 EEAELP COCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268765219 1183680261 /nfs/dbraw/zinc/68/02/61/1183680261.db2.gz IVJSSNYCTCUVGT-UKRRQHHQSA-N 2 2 330.432 2.088 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268775323 1183693398 /nfs/dbraw/zinc/69/33/98/1183693398.db2.gz LXWJJQXMNQXNAG-RYUDHWBXSA-N 2 2 332.370 2.169 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001268776304 1183694302 /nfs/dbraw/zinc/69/43/02/1183694302.db2.gz PAVDNQBQQQLWRP-MSOLQXFVSA-N 2 2 340.471 2.460 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001270245086 1184953341 /nfs/dbraw/zinc/95/33/41/1184953341.db2.gz XHBUUVBWMSQOEW-OAHLLOKOSA-N 2 2 332.473 2.158 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482340563 1185439317 /nfs/dbraw/zinc/43/93/17/1185439317.db2.gz JMNNFIOVCILQEI-NWDGAFQWSA-N 2 2 349.504 2.298 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482340563 1185439319 /nfs/dbraw/zinc/43/93/19/1185439319.db2.gz JMNNFIOVCILQEI-NWDGAFQWSA-N 2 2 349.504 2.298 10 0 EEAELP C[C@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271036650 1185832186 /nfs/dbraw/zinc/83/21/86/1185832186.db2.gz WYOPRLBREANMPH-CYBMUJFWSA-N 2 2 341.390 2.119 10 0 EEAELP C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001271529399 1186293416 /nfs/dbraw/zinc/29/34/16/1186293416.db2.gz FLPKCFKSQNHTIN-AEFFLSMTSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)o1 ZINC001271557891 1186308069 /nfs/dbraw/zinc/30/80/69/1186308069.db2.gz GQNRALXXYACUOI-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001271916720 1186623273 /nfs/dbraw/zinc/62/32/73/1186623273.db2.gz VXECMSMFGAFBQW-QGZVFWFLSA-N 2 2 339.443 2.364 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001482696034 1187666180 /nfs/dbraw/zinc/66/61/80/1187666180.db2.gz BJGFMKAVDYIMGP-KGLIPLIRSA-N 2 2 346.397 2.490 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001482859254 1187780702 /nfs/dbraw/zinc/78/07/02/1187780702.db2.gz HHHUQSTUJCIZHZ-GFCCVEGCSA-N 2 2 335.477 2.031 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]CC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001482891380 1187818097 /nfs/dbraw/zinc/81/80/97/1187818097.db2.gz RXIYEVQJSKTRAG-CYBMUJFWSA-N 2 2 347.463 2.067 10 0 EEAELP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482936023 1187856548 /nfs/dbraw/zinc/85/65/48/1187856548.db2.gz QHXKEPDGJORIFK-LBPRGKRZSA-N 2 2 345.274 2.203 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001409264165 1188233992 /nfs/dbraw/zinc/23/39/92/1188233992.db2.gz FIFPICCTLFISEE-UHFFFAOYSA-N 2 2 347.488 2.100 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001409264165 1188233997 /nfs/dbraw/zinc/23/39/97/1188233997.db2.gz FIFPICCTLFISEE-UHFFFAOYSA-N 2 2 347.488 2.100 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC001691573634 1188271140 /nfs/dbraw/zinc/27/11/40/1188271140.db2.gz AXYCSMUMPGIFGN-UHFFFAOYSA-N 2 2 336.386 2.446 10 0 EEAELP Cc1nocc1C[NH2+]C/C=C/CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001483097383 1188472717 /nfs/dbraw/zinc/47/27/17/1188472717.db2.gz JPPKXZXJYBGVOJ-LKGOPFMKSA-N 2 2 342.443 2.048 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)[C@@H](C[NH2+]CCC(F)(F)F)C1CC1 ZINC001485834372 1193568106 /nfs/dbraw/zinc/56/81/06/1193568106.db2.gz GZPDMNODHWVNJQ-AWEZNQCLSA-N 2 2 346.397 2.132 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001483127025 1188593141 /nfs/dbraw/zinc/59/31/41/1188593141.db2.gz FFNWGOQGHZUGOY-GDBMZVCRSA-N 2 2 348.491 2.021 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001483127025 1188593143 /nfs/dbraw/zinc/59/31/43/1188593143.db2.gz FFNWGOQGHZUGOY-GDBMZVCRSA-N 2 2 348.491 2.021 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001483153792 1188932417 /nfs/dbraw/zinc/93/24/17/1188932417.db2.gz OPZGBSFQPFJYCJ-HUUCEWRRSA-N 2 2 330.432 2.137 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC/C=C\c1ccccc1 ZINC001409689614 1190191166 /nfs/dbraw/zinc/19/11/66/1190191166.db2.gz HYJJCJKWHAYKEI-IVEQORNPSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC/C=C\c1ccccc1 ZINC001409689614 1190191168 /nfs/dbraw/zinc/19/11/68/1190191168.db2.gz HYJJCJKWHAYKEI-IVEQORNPSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc(C2CC2)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483387476 1190430143 /nfs/dbraw/zinc/43/01/43/1190430143.db2.gz BBSKMOYWXTVIQY-CQSZACIVSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc(C2CC2)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483387476 1190430149 /nfs/dbraw/zinc/43/01/49/1190430149.db2.gz BBSKMOYWXTVIQY-CQSZACIVSA-N 2 2 326.444 2.466 10 0 EEAELP CC1CC(C[N@@H+]2CC[C@]3(NC(=O)CCn4cc[nH+]c4)CCC[C@@H]23)C1 ZINC001486145324 1193697096 /nfs/dbraw/zinc/69/70/96/1193697096.db2.gz DFROZFRQFCGWLA-HTPOPCQBSA-N 2 2 330.476 2.433 10 0 EEAELP CC1CC(C[N@H+]2CC[C@]3(NC(=O)CCn4cc[nH+]c4)CCC[C@@H]23)C1 ZINC001486145324 1193697097 /nfs/dbraw/zinc/69/70/97/1193697097.db2.gz DFROZFRQFCGWLA-HTPOPCQBSA-N 2 2 330.476 2.433 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001272574292 1190889003 /nfs/dbraw/zinc/88/90/03/1190889003.db2.gz PDEJNDGMIXNGLE-HNNXBMFYSA-N 2 2 330.407 2.120 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC001483778655 1191023157 /nfs/dbraw/zinc/02/31/57/1191023157.db2.gz JBHWFRVHUVJVCQ-OAHLLOKOSA-N 2 2 328.391 2.017 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001483849282 1191085034 /nfs/dbraw/zinc/08/50/34/1191085034.db2.gz SMSMKUCTNDNLFF-CTXBLAANSA-N 2 2 334.291 2.182 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001483849282 1191085036 /nfs/dbraw/zinc/08/50/36/1191085036.db2.gz SMSMKUCTNDNLFF-CTXBLAANSA-N 2 2 334.291 2.182 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([C@@H](C)[NH2+]CCCF)C3)ccn12 ZINC001484337777 1191309923 /nfs/dbraw/zinc/30/99/23/1191309923.db2.gz ZXZYQIRMFFAVLB-GDBMZVCRSA-N 2 2 332.423 2.443 10 0 EEAELP CC[C@H](C[NH2+]CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)OC ZINC001484530014 1191400082 /nfs/dbraw/zinc/40/00/82/1191400082.db2.gz OXOKHBBUCYBRSC-JKSUJKDBSA-N 2 2 344.459 2.201 10 0 EEAELP CCC1([NH2+]C[C@@H]2CC[C@@H](C)O2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484819139 1191539268 /nfs/dbraw/zinc/53/92/68/1191539268.db2.gz HSEJYZPTNIOVGU-ZBFHGGJFSA-N 2 2 348.491 2.189 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001484979007 1191605796 /nfs/dbraw/zinc/60/57/96/1191605796.db2.gz XAVVVZXJKBPAAW-DLBZAZTESA-N 2 2 336.480 2.057 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001484979007 1191605798 /nfs/dbraw/zinc/60/57/98/1191605798.db2.gz XAVVVZXJKBPAAW-DLBZAZTESA-N 2 2 336.480 2.057 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+]CCCCC(F)(F)F)C1 ZINC001485109472 1191657303 /nfs/dbraw/zinc/65/73/03/1191657303.db2.gz VHGDDYVJALCDPW-UHFFFAOYSA-N 2 2 346.397 2.478 10 0 EEAELP C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001485359490 1191762837 /nfs/dbraw/zinc/76/28/37/1191762837.db2.gz XDQVPYVRQNKERR-ZIAGYGMSSA-N 2 2 333.411 2.005 10 0 EEAELP C[C@H](CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001485359490 1191762839 /nfs/dbraw/zinc/76/28/39/1191762839.db2.gz XDQVPYVRQNKERR-ZIAGYGMSSA-N 2 2 333.411 2.005 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC001486180746 1193717936 /nfs/dbraw/zinc/71/79/36/1193717936.db2.gz PGAKVHUQVYNXIG-PBHICJAKSA-N 2 2 348.466 2.032 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1Cc1cncc(F)c1 ZINC001486180746 1193717938 /nfs/dbraw/zinc/71/79/38/1193717938.db2.gz PGAKVHUQVYNXIG-PBHICJAKSA-N 2 2 348.466 2.032 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)CCn1cc[nH+]c1 ZINC001272946001 1193984234 /nfs/dbraw/zinc/98/42/34/1193984234.db2.gz ZPASWDJNSKACAX-CYBMUJFWSA-N 2 2 336.386 2.236 10 0 EEAELP CC[C@H](F)C[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001486509416 1194026389 /nfs/dbraw/zinc/02/63/89/1194026389.db2.gz RXFRFABEXSTXPU-INIZCTEOSA-N 2 2 336.455 2.423 10 0 EEAELP CC[C@H](F)C[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001486509416 1194026394 /nfs/dbraw/zinc/02/63/94/1194026394.db2.gz RXFRFABEXSTXPU-INIZCTEOSA-N 2 2 336.455 2.423 10 0 EEAELP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001691673589 1197470913 /nfs/dbraw/zinc/47/09/13/1197470913.db2.gz YYXYKBUOOCNKNS-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C[NH2+][C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C(C)C)sc1C ZINC001410263533 1197646700 /nfs/dbraw/zinc/64/67/00/1197646700.db2.gz CZMQXJNDUKLYDQ-OAHLLOKOSA-N 2 2 349.504 2.346 10 0 EEAELP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])c2cccc(Br)c2)n1 ZINC000871788159 1197903810 /nfs/dbraw/zinc/90/38/10/1197903810.db2.gz GJXDWMUOSVSYGI-PELKAZGASA-N 2 2 325.210 2.031 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCO1 ZINC001273323190 1198162776 /nfs/dbraw/zinc/16/27/76/1198162776.db2.gz MEFCQQKONHICGM-PPPANMTLSA-N 2 2 334.464 2.008 10 0 EEAELP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865523688 1198258209 /nfs/dbraw/zinc/25/82/09/1198258209.db2.gz DGECYOOQZQCULV-LJQANCHMSA-N 2 2 326.444 2.074 10 0 EEAELP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865523688 1198258215 /nfs/dbraw/zinc/25/82/15/1198258215.db2.gz DGECYOOQZQCULV-LJQANCHMSA-N 2 2 326.444 2.074 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC[C@H](C)F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001411193780 1198889355 /nfs/dbraw/zinc/88/93/55/1198889355.db2.gz DVRIMZHLUQSNFZ-HOTGVXAUSA-N 2 2 338.471 2.362 10 0 EEAELP CC(C)N(CC[N@H+](C)CC[C@H](C)F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001411193780 1198889359 /nfs/dbraw/zinc/88/93/59/1198889359.db2.gz DVRIMZHLUQSNFZ-HOTGVXAUSA-N 2 2 338.471 2.362 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000870911603 1200948269 /nfs/dbraw/zinc/94/82/69/1200948269.db2.gz YQFMZXYPCGZRQD-PHSVRJBDSA-N 2 2 349.425 2.358 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000870911603 1200948276 /nfs/dbraw/zinc/94/82/76/1200948276.db2.gz YQFMZXYPCGZRQD-PHSVRJBDSA-N 2 2 349.425 2.358 10 0 EEAELP CC[N@H+]1[C@H](C)CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1C ZINC000880610524 1201540883 /nfs/dbraw/zinc/54/08/83/1201540883.db2.gz SUMSJCDFNVJWNE-CALCHBBNSA-N 2 2 340.471 2.415 10 0 EEAELP CC[N@@H+]1[C@H](C)CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1C ZINC000880610524 1201540886 /nfs/dbraw/zinc/54/08/86/1201540886.db2.gz SUMSJCDFNVJWNE-CALCHBBNSA-N 2 2 340.471 2.415 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001274244837 1204973395 /nfs/dbraw/zinc/97/33/95/1204973395.db2.gz XIBIJUYHHPODMS-OWOJBTEDSA-N 2 2 338.455 2.224 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001274533977 1205069858 /nfs/dbraw/zinc/06/98/58/1205069858.db2.gz HKAJFBNQNNEETC-HSWBROFVSA-N 2 2 340.418 2.348 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001274630861 1205105505 /nfs/dbraw/zinc/10/55/05/1205105505.db2.gz HFUQHUOKNGBTIV-UPHRSURJSA-N 2 2 334.370 2.283 10 0 EEAELP CCOCC[NH2+]CC(C)(C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001275668240 1205474742 /nfs/dbraw/zinc/47/47/42/1205474742.db2.gz HAEMYTWNWXVHPK-UHFFFAOYSA-N 2 2 346.475 2.367 10 0 EEAELP CN(C(=O)NC[C@]12C[C@H]1CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000924366700 1205965453 /nfs/dbraw/zinc/96/54/53/1205965453.db2.gz SFNPFQDZVIXGSA-KPFFTGBYSA-N 2 2 348.535 2.377 10 0 EEAELP CN(C(=O)NC[C@]12C[C@H]1CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000924366700 1205965454 /nfs/dbraw/zinc/96/54/54/1205965454.db2.gz SFNPFQDZVIXGSA-KPFFTGBYSA-N 2 2 348.535 2.377 10 0 EEAELP C[NH+]1CCC(C[NH2+][C@H]2CC[NH2+]C23CCCC3)(N2CCCCC2)CC1 ZINC000925513793 1206121630 /nfs/dbraw/zinc/12/16/30/1206121630.db2.gz LWIPURYBTQTVRO-SFHVURJKSA-N 3 2 334.552 2.201 10 0 EEAELP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000925652633 1206140270 /nfs/dbraw/zinc/14/02/70/1206140270.db2.gz GYSXWHZPMXQNLW-OAHLLOKOSA-N 2 2 330.432 2.486 10 0 EEAELP Cc1cn2cc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@H]([NH3+])C3)ccc2[nH+]1 ZINC000926008873 1206181339 /nfs/dbraw/zinc/18/13/39/1206181339.db2.gz JDFPFNMIWUTQND-VXGBXAGGSA-N 2 2 341.337 2.386 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)c1ccccc1 ZINC000928101114 1206343329 /nfs/dbraw/zinc/34/33/29/1206343329.db2.gz WVDFPKLKPLWOCK-SQNIBIBYSA-N 2 2 347.528 2.375 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)c1ccccc1 ZINC000928101114 1206343332 /nfs/dbraw/zinc/34/33/32/1206343332.db2.gz WVDFPKLKPLWOCK-SQNIBIBYSA-N 2 2 347.528 2.375 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1 ZINC000928101114 1206343334 /nfs/dbraw/zinc/34/33/34/1206343334.db2.gz WVDFPKLKPLWOCK-SQNIBIBYSA-N 2 2 347.528 2.375 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccccc1 ZINC000928101114 1206343336 /nfs/dbraw/zinc/34/33/36/1206343336.db2.gz WVDFPKLKPLWOCK-SQNIBIBYSA-N 2 2 347.528 2.375 10 0 EEAELP CN1CC[C@H]([NH+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1=O ZINC000931215434 1206616594 /nfs/dbraw/zinc/61/65/94/1206616594.db2.gz XXLPWYKCBMGEOY-DFQSSKMNSA-N 2 2 327.472 2.061 10 0 EEAELP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)CN1CCOCC1 ZINC000902811777 1238595977 /nfs/dbraw/zinc/59/59/77/1238595977.db2.gz GMKFOMQJIYHZOM-SJORKVTESA-N 2 2 328.460 2.491 10 0 EEAELP COC(=O)/C=C/c1ccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903472576 1240579113 /nfs/dbraw/zinc/57/91/13/1240579113.db2.gz SHQZRIFHXBLUME-ZGRWHYIRSA-N 2 2 330.428 2.126 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001491181514 1258746262 /nfs/dbraw/zinc/74/62/62/1258746262.db2.gz NKBFWTDEJBTNHD-PYJQOMOHSA-N 2 2 338.455 2.494 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC001491210450 1258784852 /nfs/dbraw/zinc/78/48/52/1258784852.db2.gz QEDXQGSIKYOVSN-FUHWJXTLSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@H+]1CCC[C@H]1CCOC1 ZINC001491210450 1258784856 /nfs/dbraw/zinc/78/48/56/1258784856.db2.gz QEDXQGSIKYOVSN-FUHWJXTLSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC001491210450 1258784861 /nfs/dbraw/zinc/78/48/61/1258784861.db2.gz QEDXQGSIKYOVSN-FUHWJXTLSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@H+]1CCC[C@H]1CCOC1 ZINC001491210450 1258784865 /nfs/dbraw/zinc/78/48/65/1258784865.db2.gz QEDXQGSIKYOVSN-FUHWJXTLSA-N 2 2 348.491 2.130 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001491456047 1259099029 /nfs/dbraw/zinc/09/90/29/1259099029.db2.gz VVPMTEJODGGAET-HUUCEWRRSA-N 2 2 336.480 2.265 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cccc(Cl)c1 ZINC001491507685 1259158675 /nfs/dbraw/zinc/15/86/75/1259158675.db2.gz KUEAKVDNEPFVED-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001491507549 1259159047 /nfs/dbraw/zinc/15/90/47/1259159047.db2.gz JWTQLYZNRDWSKO-NVXWUHKLSA-N 2 2 326.444 2.048 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001273458151 1278448709 /nfs/dbraw/zinc/44/87/09/1278448709.db2.gz VHPZMWISPAUSEN-DLBZAZTESA-N 2 2 336.480 2.232 10 0 EEAELP CCOCCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001273458151 1278448714 /nfs/dbraw/zinc/44/87/14/1278448714.db2.gz VHPZMWISPAUSEN-DLBZAZTESA-N 2 2 336.480 2.232 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001490253827 1291074962 /nfs/dbraw/zinc/07/49/62/1291074962.db2.gz IWTPQOLBHNKTOB-ZDUSSCGKSA-N 2 2 333.436 2.077 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001490253827 1291074969 /nfs/dbraw/zinc/07/49/69/1291074969.db2.gz IWTPQOLBHNKTOB-ZDUSSCGKSA-N 2 2 333.436 2.077 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)ccc1Cl ZINC001490286798 1291118789 /nfs/dbraw/zinc/11/87/89/1291118789.db2.gz WHMLMBWUPXRHNB-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)ccc1Cl ZINC001490286798 1291118793 /nfs/dbraw/zinc/11/87/93/1291118793.db2.gz WHMLMBWUPXRHNB-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP O=C(NCCC[N@H+](CC1CC1)C1CC1)[C@H]1COCC[NH+]1C1CCCC1 ZINC001490382562 1291267707 /nfs/dbraw/zinc/26/77/07/1291267707.db2.gz FOLPTNCTARTSIR-LJQANCHMSA-N 2 2 349.519 2.011 10 0 EEAELP O=C(NCCC[N@@H+](CC1CC1)C1CC1)[C@H]1COCC[NH+]1C1CCCC1 ZINC001490382562 1291267714 /nfs/dbraw/zinc/26/77/14/1291267714.db2.gz FOLPTNCTARTSIR-LJQANCHMSA-N 2 2 349.519 2.011 10 0 EEAELP O=C(NCCC[NH+](CC1CC1)C1CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001490382562 1291267724 /nfs/dbraw/zinc/26/77/24/1291267724.db2.gz FOLPTNCTARTSIR-LJQANCHMSA-N 2 2 349.519 2.011 10 0 EEAELP O=C(NCCC[NH+](CC1CC1)C1CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001490382562 1291267734 /nfs/dbraw/zinc/26/77/34/1291267734.db2.gz FOLPTNCTARTSIR-LJQANCHMSA-N 2 2 349.519 2.011 10 0 EEAELP O=C(C[NH+]1CCCC1)NCCC[N@@H+](C/C(Cl)=C/Cl)C1CC1 ZINC001490393420 1291283834 /nfs/dbraw/zinc/28/38/34/1291283834.db2.gz GHOXWBMVQYVXEB-RAXLEYEMSA-N 2 2 334.291 2.372 10 0 EEAELP O=C(C[NH+]1CCCC1)NCCC[N@H+](C/C(Cl)=C/Cl)C1CC1 ZINC001490393420 1291283844 /nfs/dbraw/zinc/28/38/44/1291283844.db2.gz GHOXWBMVQYVXEB-RAXLEYEMSA-N 2 2 334.291 2.372 10 0 EEAELP CCOC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000854224176 1292676679 /nfs/dbraw/zinc/67/66/79/1292676679.db2.gz YEZXRSMDVVTJCJ-QZTJIDSGSA-N 2 2 331.460 2.343 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000858982140 1294284056 /nfs/dbraw/zinc/28/40/56/1294284056.db2.gz SBRLLOLGMUPOEC-UHFFFAOYSA-N 2 2 347.850 2.235 10 0 EEAELP Cc1csc(C[NH2+]CCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC001277348445 1302562675 /nfs/dbraw/zinc/56/26/75/1302562675.db2.gz AQQFBQSAARSORL-NSHDSACASA-N 2 2 335.477 2.100 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001278002845 1305651844 /nfs/dbraw/zinc/65/18/44/1305651844.db2.gz NCPSRCFQUQMJFX-GFCCVEGCSA-N 2 2 341.415 2.039 10 0 EEAELP COCCC[NH+]1CCC(C)(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001278616084 1317374916 /nfs/dbraw/zinc/37/49/16/1317374916.db2.gz RTEHCSXNTLGLDU-UHFFFAOYSA-N 2 2 344.459 2.431 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H]([C@@H](C)[NH2+]CCCF)C3)[nH+]c12 ZINC001279029232 1319034619 /nfs/dbraw/zinc/03/46/19/1319034619.db2.gz BIJOWFCHJJJDKB-CVEARBPZSA-N 2 2 346.450 2.371 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCF ZINC001263993339 1322579938 /nfs/dbraw/zinc/57/99/38/1322579938.db2.gz AROZVQUSBPOERW-ZBFHGGJFSA-N 2 2 337.439 2.209 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1C[N@H+](C)CCCCCF ZINC001264187574 1322655111 /nfs/dbraw/zinc/65/51/11/1322655111.db2.gz ZUIDQERUADLPDE-INIZCTEOSA-N 2 2 338.471 2.415 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCCCF ZINC001264187574 1322655114 /nfs/dbraw/zinc/65/51/14/1322655114.db2.gz ZUIDQERUADLPDE-INIZCTEOSA-N 2 2 338.471 2.415 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265408616 1323137073 /nfs/dbraw/zinc/13/70/73/1323137073.db2.gz ORCWHTUBZJYSDP-GOEGGOLHSA-N 2 2 342.487 2.477 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265408616 1323137078 /nfs/dbraw/zinc/13/70/78/1323137078.db2.gz ORCWHTUBZJYSDP-GOEGGOLHSA-N 2 2 342.487 2.477 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCCC(F)(F)F ZINC001265792984 1323383895 /nfs/dbraw/zinc/38/38/95/1323383895.db2.gz ZDRXWANFVXOHEE-CHWSQXEVSA-N 2 2 346.397 2.272 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCC1CCCC1 ZINC001265877283 1323448525 /nfs/dbraw/zinc/44/85/25/1323448525.db2.gz DWQZYBGYMXKTTP-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCC1CCCC1 ZINC001265877283 1323448529 /nfs/dbraw/zinc/44/85/29/1323448529.db2.gz DWQZYBGYMXKTTP-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226986 1323800834 /nfs/dbraw/zinc/80/08/34/1323800834.db2.gz KQMJDODOJRFYOT-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001266226986 1323800838 /nfs/dbraw/zinc/80/08/38/1323800838.db2.gz KQMJDODOJRFYOT-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP COCCC[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001279264206 1323859619 /nfs/dbraw/zinc/85/96/19/1323859619.db2.gz ICPXBVHLSQGULN-UHFFFAOYSA-N 2 2 342.443 2.101 10 0 EEAELP CCCCC[NH2+][C@@]1(CO)CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001281143361 1324790170 /nfs/dbraw/zinc/79/01/70/1324790170.db2.gz SVOPLLYDUOYEKT-IBGZPJMESA-N 2 2 344.459 2.081 10 0 EEAELP CCOCC[NH+]1CCC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001284699904 1326673000 /nfs/dbraw/zinc/67/30/00/1326673000.db2.gz LOCCGZUWNGETEQ-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001284774337 1326707329 /nfs/dbraw/zinc/70/73/29/1326707329.db2.gz RXBCUVBCLVHUKY-FMZFJBBLSA-N 2 2 330.476 2.381 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001491847582 1330272950 /nfs/dbraw/zinc/27/29/50/1330272950.db2.gz IYVFQSPIJDSNEY-KRZKXXONSA-N 2 2 338.455 2.114 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC001492163715 1331028700 /nfs/dbraw/zinc/02/87/00/1331028700.db2.gz LQZKIXDTHMZILN-ULYATVDSSA-N 2 2 338.883 2.466 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCCC[C@H]1CCC[N@H+]1C/C=C/Cl ZINC001492163715 1331028703 /nfs/dbraw/zinc/02/87/03/1331028703.db2.gz LQZKIXDTHMZILN-ULYATVDSSA-N 2 2 338.883 2.466 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@H]1CC[NH2+]CCCF ZINC001316686575 1331330473 /nfs/dbraw/zinc/33/04/73/1331330473.db2.gz RBMGUDMODUQUSB-RDJZCZTQSA-N 2 2 338.471 2.319 10 0 EEAELP C[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CC1CC(F)(F)C1 ZINC001316838368 1331385254 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CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cccc(Cl)n1 ZINC001316906527 1331972361 /nfs/dbraw/zinc/97/23/61/1331972361.db2.gz YZFPWGVADUDECN-UHFFFAOYSA-N 2 2 349.866 2.337 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cccc(Cl)n1 ZINC001316906527 1331972364 /nfs/dbraw/zinc/97/23/64/1331972364.db2.gz YZFPWGVADUDECN-UHFFFAOYSA-N 2 2 349.866 2.337 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317152748 1332101841 /nfs/dbraw/zinc/10/18/41/1332101841.db2.gz NYBDARZKLUDDHR-DLBZAZTESA-N 2 2 332.492 2.320 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001317433688 1332237228 /nfs/dbraw/zinc/23/72/28/1332237228.db2.gz GVVHRJIWZCSHPP-KRWDZBQOSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001317433688 1332237230 /nfs/dbraw/zinc/23/72/30/1332237230.db2.gz GVVHRJIWZCSHPP-KRWDZBQOSA-N 2 2 341.459 2.148 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)C[N@H+](C)C1CCC1 ZINC001317595316 1332316086 /nfs/dbraw/zinc/31/60/86/1332316086.db2.gz RXVOMPLKUNZHCP-UHFFFAOYSA-N 2 2 336.480 2.004 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)C[N@@H+](C)C1CCC1 ZINC001317595316 1332316088 /nfs/dbraw/zinc/31/60/88/1332316088.db2.gz RXVOMPLKUNZHCP-UHFFFAOYSA-N 2 2 336.480 2.004 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001317606810 1332322653 /nfs/dbraw/zinc/32/26/53/1332322653.db2.gz VYINKBVUUKRXDE-KRWDZBQOSA-N 2 2 326.444 2.002 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)o1 ZINC001317670927 1332362291 /nfs/dbraw/zinc/36/22/91/1332362291.db2.gz ZGKQXGJFQHXNAX-HUUCEWRRSA-N 2 2 336.480 2.219 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC001318608756 1332567588 /nfs/dbraw/zinc/56/75/88/1332567588.db2.gz YSCHWWZPLVHBAD-ZIAGYGMSSA-N 2 2 341.415 2.270 10 0 EEAELP Cc1nocc1C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001319789947 1332768704 /nfs/dbraw/zinc/76/87/04/1332768704.db2.gz BZYRDNUFRXYKQD-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)sn1 ZINC001319790998 1332769166 /nfs/dbraw/zinc/76/91/66/1332769166.db2.gz OKJNHUGZEYJSFJ-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001320110598 1332828765 /nfs/dbraw/zinc/82/87/65/1332828765.db2.gz HYSJJWZUMPKJNL-SJLPKXTDSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001320110598 1332828767 /nfs/dbraw/zinc/82/87/67/1332828767.db2.gz HYSJJWZUMPKJNL-SJLPKXTDSA-N 2 2 332.492 2.466 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001320467456 1332890978 /nfs/dbraw/zinc/89/09/78/1332890978.db2.gz AOSVLRAUBCTCCY-WMZOPIPTSA-N 2 2 340.471 2.173 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001320779688 1332951325 /nfs/dbraw/zinc/95/13/25/1332951325.db2.gz JCIAERDHZVIINS-HNNXBMFYSA-N 2 2 344.434 2.223 10 0 EEAELP O=C(NC/C=C/C[NH2+]CCC[C@@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC001321159501 1333034032 /nfs/dbraw/zinc/03/40/32/1333034032.db2.gz YSATVQQPJLAAHX-XGBNDESESA-N 2 2 342.443 2.027 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001321334547 1333077132 /nfs/dbraw/zinc/07/71/32/1333077132.db2.gz BFUSHQXUVPBJCW-IHWYPQMZSA-N 2 2 332.835 2.078 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)CCn2cc[nH+]c2)cc1F ZINC001322637756 1333299407 /nfs/dbraw/zinc/29/94/07/1333299407.db2.gz ZHCMTEHVLBDMTF-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001324668882 1333735328 /nfs/dbraw/zinc/73/53/28/1333735328.db2.gz JDLJCFZNJRRLSD-IBGZPJMESA-N 2 2 348.491 2.365 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001324668882 1333735330 /nfs/dbraw/zinc/73/53/30/1333735330.db2.gz JDLJCFZNJRRLSD-IBGZPJMESA-N 2 2 348.491 2.365 10 0 EEAELP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001324753004 1333752758 /nfs/dbraw/zinc/75/27/58/1333752758.db2.gz UEWQEAKMYWVXFP-VQIMIIECSA-N 2 2 332.492 2.464 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001325352963 1333870530 /nfs/dbraw/zinc/87/05/30/1333870530.db2.gz UEJQRPHCCNAXMF-XHSDSOJGSA-N 2 2 336.455 2.072 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCF)C2 ZINC001325352963 1333870531 /nfs/dbraw/zinc/87/05/31/1333870531.db2.gz UEJQRPHCCNAXMF-XHSDSOJGSA-N 2 2 336.455 2.072 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001325528034 1333904453 /nfs/dbraw/zinc/90/44/53/1333904453.db2.gz XJIMDKCMCCGSKC-WMZOPIPTSA-N 2 2 340.471 2.269 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001325528034 1333904454 /nfs/dbraw/zinc/90/44/54/1333904454.db2.gz XJIMDKCMCCGSKC-WMZOPIPTSA-N 2 2 340.471 2.269 10 0 EEAELP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001325599255 1333921288 /nfs/dbraw/zinc/92/12/88/1333921288.db2.gz RGDLIZADZUJTSZ-WMZOPIPTSA-N 2 2 330.476 2.458 10 0 EEAELP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001325694514 1333942039 /nfs/dbraw/zinc/94/20/39/1333942039.db2.gz VKPOOTRELZGIPZ-QGZVFWFLSA-N 2 2 326.444 2.084 10 0 EEAELP CCOCCC[NH2+]CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001326312369 1334065636 /nfs/dbraw/zinc/06/56/36/1334065636.db2.gz MCFZAMNFNLJDKM-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP CC1([NH2+]CCC[C@@H]2CCOC2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001328007790 1334378169 /nfs/dbraw/zinc/37/81/69/1334378169.db2.gz WHPLIKSZUPYLSK-QGZVFWFLSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@H](C)NC(=O)c1ccccc1 ZINC001328356705 1334449585 /nfs/dbraw/zinc/44/95/85/1334449585.db2.gz XCAXKVKCLJYPTM-ZDUSSCGKSA-N 2 2 349.394 2.333 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CCCC2CCC2)C1 ZINC001330424945 1334841605 /nfs/dbraw/zinc/84/16/05/1334841605.db2.gz KZLOMUOOZRKKSP-MAUKXSAKSA-N 2 2 348.491 2.046 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001330947528 1334932810 /nfs/dbraw/zinc/93/28/10/1334932810.db2.gz PDROCVIGNNCLOA-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001331297430 1334992842 /nfs/dbraw/zinc/99/28/42/1334992842.db2.gz RIXKBBJJVNRSTR-IRXDYDNUSA-N 2 2 330.476 2.072 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCOCC2CC2)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331994814 1335700144 /nfs/dbraw/zinc/70/01/44/1335700144.db2.gz INMQPVGZFIUEGE-XJKSGUPXSA-N 2 2 342.443 2.182 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001669162658 1356112678 /nfs/dbraw/zinc/11/26/78/1356112678.db2.gz QDZHMAYOBCZUPX-IHWYPQMZSA-N 2 2 338.455 2.212 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001436361252 1342052515 /nfs/dbraw/zinc/05/25/15/1342052515.db2.gz YHCWWRLHQFUOAR-OKILXGFUSA-N 2 2 345.447 2.057 10 0 EEAELP CCC1([NH2+]C[C@@H]2CC[C@@H](C)O2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502496200 1342198317 /nfs/dbraw/zinc/19/83/17/1342198317.db2.gz KEFBVOHBQAHQEV-WBVHZDCISA-N 2 2 348.491 2.271 10 0 EEAELP CCC1([NH2+]C[C@@H]2CC[C@@H](C)O2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502496200 1342198320 /nfs/dbraw/zinc/19/83/20/1342198320.db2.gz KEFBVOHBQAHQEV-WBVHZDCISA-N 2 2 348.491 2.271 10 0 EEAELP CC(C)COCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001571483636 1343217456 /nfs/dbraw/zinc/21/74/56/1343217456.db2.gz UGNCRIRFVWAYDO-HZPDHXFCSA-N 2 2 344.459 2.200 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C(F)(F)F ZINC001677052159 1357271583 /nfs/dbraw/zinc/27/15/83/1357271583.db2.gz MFCGJCRUUPNFLM-QWHCGFSZSA-N 2 2 346.397 2.287 10 0 EEAELP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001677267347 1357305029 /nfs/dbraw/zinc/30/50/29/1357305029.db2.gz UHTIXFPIBFRJMH-UONOGXRCSA-N 2 2 326.460 2.221 10 0 EEAELP Cn1nccc1C1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001648212237 1353420603 /nfs/dbraw/zinc/42/06/03/1353420603.db2.gz JIQRARHEEQOHFG-UHFFFAOYSA-N 2 2 337.427 2.089 10 0 EEAELP CCOCC[NH+]1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001660772684 1354535797 /nfs/dbraw/zinc/53/57/97/1354535797.db2.gz WPERHIZVGHVCAX-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001665059466 1355269843 /nfs/dbraw/zinc/26/98/43/1355269843.db2.gz WJUYQVASJYLQFH-QCDWVSHVSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001665059466 1355269847 /nfs/dbraw/zinc/26/98/47/1355269847.db2.gz WJUYQVASJYLQFH-QCDWVSHVSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]CCOCC3CC3)ccn12 ZINC001666903138 1355613108 /nfs/dbraw/zinc/61/31/08/1355613108.db2.gz QLUGFLGAQIRZCS-AWEZNQCLSA-N 2 2 344.459 2.119 10 0 EEAELP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001666937417 1355618304 /nfs/dbraw/zinc/61/83/04/1355618304.db2.gz BTMWUKWMNYMHMH-LSDHHAIUSA-N 2 2 346.500 2.186 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1 ZINC001668105414 1355871754 /nfs/dbraw/zinc/87/17/54/1355871754.db2.gz CVMFZVFJZDHQNL-HNNXBMFYSA-N 2 2 327.428 2.317 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001668152125 1355885817 /nfs/dbraw/zinc/88/58/17/1355885817.db2.gz DNLINYFOXQKPNV-HZPDHXFCSA-N 2 2 342.443 2.007 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc2ccccc2o1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001668258380 1355909919 /nfs/dbraw/zinc/90/99/19/1355909919.db2.gz KIZUFIIQLNJSSS-ZDUSSCGKSA-N 2 2 326.400 2.383 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]C/C=C/CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001668928647 1356047530 /nfs/dbraw/zinc/04/75/30/1356047530.db2.gz AABTXDUJKVUMQB-BWPKMQGJSA-N 2 2 342.443 2.025 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CCn1cc[nH+]c1 ZINC001669364826 1356150646 /nfs/dbraw/zinc/15/06/46/1356150646.db2.gz VYJQRLXQZJWENN-CQSZACIVSA-N 2 2 325.416 2.049 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001670261299 1356306398 /nfs/dbraw/zinc/30/63/98/1356306398.db2.gz JJSCOPXRFIWWFU-CQSZACIVSA-N 2 2 330.432 2.160 10 0 EEAELP COCCCCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001672433918 1356522426 /nfs/dbraw/zinc/52/24/26/1356522426.db2.gz QKFVBAVNHYSCIU-KURKYZTESA-N 2 2 348.491 2.041 10 0 EEAELP COCCCCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001672433918 1356522430 /nfs/dbraw/zinc/52/24/30/1356522430.db2.gz QKFVBAVNHYSCIU-KURKYZTESA-N 2 2 348.491 2.041 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001672536392 1356548708 /nfs/dbraw/zinc/54/87/08/1356548708.db2.gz AJHRJLRHHKBKAS-JKSUJKDBSA-N 2 2 348.491 2.179 10 0 EEAELP COCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001672536392 1356548713 /nfs/dbraw/zinc/54/87/13/1356548713.db2.gz AJHRJLRHHKBKAS-JKSUJKDBSA-N 2 2 348.491 2.179 10 0 EEAELP C[C@@H]([NH2+]Cc1ccnc(Cl)c1)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001674760895 1356891168 /nfs/dbraw/zinc/89/11/68/1356891168.db2.gz MXLRMIBKTZPBOF-OLZOCXBDSA-N 2 2 349.866 2.084 10 0 EEAELP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)C[C@@H]3COCC[NH2+]3)C2=O)c(C)c1 ZINC000817923323 785076122 /nfs/dbraw/zinc/07/61/22/785076122.db2.gz IHTUALZDRFYGJY-KSZLIROESA-N 2 2 345.487 2.074 10 0 EEAELP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C(C)(C)C ZINC000912035286 787904395 /nfs/dbraw/zinc/90/43/95/787904395.db2.gz XRPLEQWRCCUEEF-QZTJIDSGSA-N 2 2 344.503 2.235 10 0 EEAELP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C(C)(C)C ZINC000912035286 787904402 /nfs/dbraw/zinc/90/44/02/787904402.db2.gz XRPLEQWRCCUEEF-QZTJIDSGSA-N 2 2 344.503 2.235 10 0 EEAELP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1C(C)(C)C ZINC000912035286 787904408 /nfs/dbraw/zinc/90/44/08/787904408.db2.gz XRPLEQWRCCUEEF-QZTJIDSGSA-N 2 2 344.503 2.235 10 0 EEAELP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1C(C)(C)C ZINC000912035286 787904418 /nfs/dbraw/zinc/90/44/18/787904418.db2.gz XRPLEQWRCCUEEF-QZTJIDSGSA-N 2 2 344.503 2.235 10 0 EEAELP Cc1cc([C@H]([NH3+])CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc(Cl)n1 ZINC000844174916 788885016 /nfs/dbraw/zinc/88/50/16/788885016.db2.gz DNMMIYDUQMCVKF-BXUZGUMPSA-N 2 2 335.839 2.082 10 0 EEAELP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000913631250 793991312 /nfs/dbraw/zinc/99/13/12/793991312.db2.gz SOAIRAIRHJLRNJ-KRWDZBQOSA-N 2 2 331.435 2.145 10 0 EEAELP O=C(NC12CC[NH+](CC1)C2)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000913631250 793991318 /nfs/dbraw/zinc/99/13/18/793991318.db2.gz SOAIRAIRHJLRNJ-KRWDZBQOSA-N 2 2 331.435 2.145 10 0 EEAELP O=S1(=O)CCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716703460 796444042 /nfs/dbraw/zinc/44/40/42/796444042.db2.gz CEQAKWVKRPYCCQ-RDGPPVDQSA-N 2 2 348.512 2.206 10 0 EEAELP O=S1(=O)CCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703460 796444043 /nfs/dbraw/zinc/44/40/43/796444043.db2.gz CEQAKWVKRPYCCQ-RDGPPVDQSA-N 2 2 348.512 2.206 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@H](C)C1 ZINC000930000381 798402387 /nfs/dbraw/zinc/40/23/87/798402387.db2.gz OPPLSINSJZDVAY-DOMZBBRYSA-N 2 2 334.489 2.227 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@H](C)C1 ZINC000930000381 798402394 /nfs/dbraw/zinc/40/23/94/798402394.db2.gz OPPLSINSJZDVAY-DOMZBBRYSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@H](C)C1 ZINC000930000381 798402397 /nfs/dbraw/zinc/40/23/97/798402397.db2.gz OPPLSINSJZDVAY-DOMZBBRYSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@H](C)C1 ZINC000930000381 798402404 /nfs/dbraw/zinc/40/24/04/798402404.db2.gz OPPLSINSJZDVAY-DOMZBBRYSA-N 2 2 334.489 2.227 10 0 EEAELP COCC[NH2+][C@@H]1CCCCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001566068591 1125540760 /nfs/dbraw/zinc/54/07/60/1125540760.db2.gz HWZINXZDVWNUKS-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP C[N@H+](CCCNC(=O)CCc1c[nH]c[nH+]1)Cc1cc(F)cc(F)c1 ZINC001566460594 1125620188 /nfs/dbraw/zinc/62/01/88/1125620188.db2.gz VIWCYHMUAQQJOJ-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP C[N@@H+](CCCNC(=O)CCc1c[nH]c[nH+]1)Cc1cc(F)cc(F)c1 ZINC001566460594 1125620190 /nfs/dbraw/zinc/62/01/90/1125620190.db2.gz VIWCYHMUAQQJOJ-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCc2c1cc(F)cc2F ZINC001566503162 1125670693 /nfs/dbraw/zinc/67/06/93/1125670693.db2.gz MYRRVVPIEUIZRL-MRXNPFEDSA-N 2 2 348.397 2.356 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCc2c1cc(F)cc2F ZINC001566503162 1125670697 /nfs/dbraw/zinc/67/06/97/1125670697.db2.gz MYRRVVPIEUIZRL-MRXNPFEDSA-N 2 2 348.397 2.356 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001437550500 1090011766 /nfs/dbraw/zinc/01/17/66/1090011766.db2.gz HIVCGCVIDSRPFU-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001437550500 1090011777 /nfs/dbraw/zinc/01/17/77/1090011777.db2.gz HIVCGCVIDSRPFU-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP O=C(NCC[N@H+](Cc1cncs1)C1CC1)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001437806338 1090395866 /nfs/dbraw/zinc/39/58/66/1090395866.db2.gz IRRAUDHGTWLTCA-RDJZCZTQSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[N@@H+](Cc1cncs1)C1CC1)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001437806338 1090395879 /nfs/dbraw/zinc/39/58/79/1090395879.db2.gz IRRAUDHGTWLTCA-RDJZCZTQSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001437806338 1090395885 /nfs/dbraw/zinc/39/58/85/1090395885.db2.gz IRRAUDHGTWLTCA-RDJZCZTQSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001437806338 1090395893 /nfs/dbraw/zinc/39/58/93/1090395893.db2.gz IRRAUDHGTWLTCA-RDJZCZTQSA-N 2 2 348.516 2.241 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001437955395 1090551924 /nfs/dbraw/zinc/55/19/24/1090551924.db2.gz CGNVQQXJGIYMJO-OAHLLOKOSA-N 2 2 345.447 2.023 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001437955395 1090551927 /nfs/dbraw/zinc/55/19/27/1090551927.db2.gz CGNVQQXJGIYMJO-OAHLLOKOSA-N 2 2 345.447 2.023 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001438172082 1090681735 /nfs/dbraw/zinc/68/17/35/1090681735.db2.gz AJUYXFVUISGMLB-IRXDYDNUSA-N 2 2 345.462 2.261 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001438172082 1090681738 /nfs/dbraw/zinc/68/17/38/1090681738.db2.gz AJUYXFVUISGMLB-IRXDYDNUSA-N 2 2 345.462 2.261 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001438265874 1090747630 /nfs/dbraw/zinc/74/76/30/1090747630.db2.gz LCYNLDSGECIROB-HOTGVXAUSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001438265874 1090747633 /nfs/dbraw/zinc/74/76/33/1090747633.db2.gz LCYNLDSGECIROB-HOTGVXAUSA-N 2 2 345.447 2.254 10 0 EEAELP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CCC(F)(F)F ZINC001438316594 1090794406 /nfs/dbraw/zinc/79/44/06/1090794406.db2.gz GKPKTEYPFJLKMY-LBPRGKRZSA-N 2 2 334.386 2.363 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001438601820 1091089255 /nfs/dbraw/zinc/08/92/55/1091089255.db2.gz DKHNKNBUFYPIAG-QGZVFWFLSA-N 2 2 348.491 2.251 10 0 EEAELP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001438602753 1091090525 /nfs/dbraw/zinc/09/05/25/1091090525.db2.gz UCZJHOWGASNOFW-HUUCEWRRSA-N 2 2 336.455 2.212 10 0 EEAELP Cc1ncsc1C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438712843 1091231287 /nfs/dbraw/zinc/23/12/87/1091231287.db2.gz WABBNZSFCNEOCR-NSHDSACASA-N 2 2 335.477 2.089 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445621148 1091416509 /nfs/dbraw/zinc/41/65/09/1091416509.db2.gz CEDLDFMYMKGZRB-BONVTDFDSA-N 2 2 334.370 2.012 10 0 EEAELP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001439183724 1091831029 /nfs/dbraw/zinc/83/10/29/1091831029.db2.gz DEUFHOMIXZULDK-KGLIPLIRSA-N 2 2 328.407 2.193 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001439220433 1091864131 /nfs/dbraw/zinc/86/41/31/1091864131.db2.gz BAKUNVMFKBBXJJ-HOTGVXAUSA-N 2 2 326.444 2.048 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001445955987 1091899134 /nfs/dbraw/zinc/89/91/34/1091899134.db2.gz UTABSPSXIVDLOZ-SFHVURJKSA-N 2 2 344.503 2.437 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)c1cccc(F)c1 ZINC001446061903 1092073994 /nfs/dbraw/zinc/07/39/94/1092073994.db2.gz NJXZQUSDXYACAN-WMLDXEAASA-N 2 2 330.407 2.282 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1cccc(F)c1 ZINC001446061903 1092074003 /nfs/dbraw/zinc/07/40/03/1092074003.db2.gz NJXZQUSDXYACAN-WMLDXEAASA-N 2 2 330.407 2.282 10 0 EEAELP Cc1nocc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001439410156 1092176334 /nfs/dbraw/zinc/17/63/34/1092176334.db2.gz QPBQAFODWDPBTN-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP Cc1nocc1C[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001439410156 1092176339 /nfs/dbraw/zinc/17/63/39/1092176339.db2.gz 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CN(CCC[NH2+]Cc1ccccc1C1CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001498632509 1107849285 /nfs/dbraw/zinc/84/92/85/1107849285.db2.gz IKZBOVQJXXBSRM-UHFFFAOYSA-N 2 2 326.444 2.468 10 0 EEAELP CN(CC[NH2+]Cc1ccccc1Cl)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001493601939 1108386150 /nfs/dbraw/zinc/38/61/50/1108386150.db2.gz CHTLTHUJJMPVIE-OAHLLOKOSA-N 2 2 346.862 2.347 10 0 EEAELP CCc1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001471788422 1110530414 /nfs/dbraw/zinc/53/04/14/1110530414.db2.gz PEUVYCLMCMNADN-KRWDZBQOSA-N 2 2 341.459 2.011 10 0 EEAELP CCc1[nH+]ccn1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001471788422 1110530415 /nfs/dbraw/zinc/53/04/15/1110530415.db2.gz PEUVYCLMCMNADN-KRWDZBQOSA-N 2 2 341.459 2.011 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1Cc1nc2ccccc2o1 ZINC001479271978 1110673483 /nfs/dbraw/zinc/67/34/83/1110673483.db2.gz XXYHXLYDGSMLHI-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1Cc1nc2ccccc2o1 ZINC001479271978 1110673484 /nfs/dbraw/zinc/67/34/84/1110673484.db2.gz XXYHXLYDGSMLHI-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001479271978 1110673485 /nfs/dbraw/zinc/67/34/85/1110673485.db2.gz XXYHXLYDGSMLHI-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001479271978 1110673486 /nfs/dbraw/zinc/67/34/86/1110673486.db2.gz XXYHXLYDGSMLHI-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001499246139 1112198679 /nfs/dbraw/zinc/19/86/79/1112198679.db2.gz WREPUDZLJVLUGX-LBPRGKRZSA-N 2 2 326.391 2.016 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001499246139 1112198682 /nfs/dbraw/zinc/19/86/82/1112198682.db2.gz WREPUDZLJVLUGX-LBPRGKRZSA-N 2 2 326.391 2.016 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001499480216 1112310875 /nfs/dbraw/zinc/31/08/75/1112310875.db2.gz DYNBVAHHTJFXRZ-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP COCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001499480216 1112310877 /nfs/dbraw/zinc/31/08/77/1112310877.db2.gz DYNBVAHHTJFXRZ-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001499900770 1112534104 /nfs/dbraw/zinc/53/41/04/1112534104.db2.gz HLPNALMGAVFVCR-GFCCVEGCSA-N 2 2 331.247 2.242 10 0 EEAELP C[C@H]([NH2+]CCF)c1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001501677522 1113429579 /nfs/dbraw/zinc/42/95/79/1113429579.db2.gz YVCDWWRHDZYWOC-YOEHRIQHSA-N 2 2 344.434 2.382 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC2(C1)CC[NH+](CCCCCF)CC2 ZINC001501737303 1113455861 /nfs/dbraw/zinc/45/58/61/1113455861.db2.gz OHBMUWHMPDQRHL-UHFFFAOYSA-N 2 2 336.455 2.407 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC2(C1)CC[NH+](CCCCCF)CC2 ZINC001501737303 1113455863 /nfs/dbraw/zinc/45/58/63/1113455863.db2.gz OHBMUWHMPDQRHL-UHFFFAOYSA-N 2 2 336.455 2.407 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001502407007 1113671464 /nfs/dbraw/zinc/67/14/64/1113671464.db2.gz YDKJFLXUOCGGRM-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001502407007 1113671468 /nfs/dbraw/zinc/67/14/68/1113671468.db2.gz YDKJFLXUOCGGRM-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1cc(C)c(C(=O)NC2CC(C[NH2+]CCC[C@H](C)O)C2)c(C)[nH+]1 ZINC001505509407 1114029438 /nfs/dbraw/zinc/02/94/38/1114029438.db2.gz UOXRAMCIGDCYNW-OOHWJJMZSA-N 2 2 333.476 2.266 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC001506027841 1114356790 /nfs/dbraw/zinc/35/67/90/1114356790.db2.gz OYGPSZMRUFAETB-CVEARBPZSA-N 2 2 340.471 2.194 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC001506027841 1114356793 /nfs/dbraw/zinc/35/67/93/1114356793.db2.gz OYGPSZMRUFAETB-CVEARBPZSA-N 2 2 340.471 2.194 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(F)(F)F)C[C@H]21)n1cc[nH+]c1 ZINC001506812886 1114891338 /nfs/dbraw/zinc/89/13/38/1114891338.db2.gz GKYQTIJXKYMINC-XDQVBPFNSA-N 2 2 344.381 2.081 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]21)n1cc[nH+]c1 ZINC001506812886 1114891341 /nfs/dbraw/zinc/89/13/41/1114891341.db2.gz GKYQTIJXKYMINC-XDQVBPFNSA-N 2 2 344.381 2.081 10 0 EEAELP C[C@H](CCC[NH2+]Cc1cccc(F)c1F)NC(=O)Cn1cc[nH+]c1 ZINC001506950445 1114999559 /nfs/dbraw/zinc/99/95/59/1114999559.db2.gz GPNUNWOCQGCXSZ-CYBMUJFWSA-N 2 2 336.386 2.236 10 0 EEAELP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001507016288 1115056177 /nfs/dbraw/zinc/05/61/77/1115056177.db2.gz WBBYNLWNSYQUJA-QZTJIDSGSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H](C[NH2+]Cc1cscn1)C1CC1)n1cc[nH+]c1 ZINC001507027827 1115065588 /nfs/dbraw/zinc/06/55/88/1115065588.db2.gz STWPRJGCQKRIGF-CJNGLKHVSA-N 2 2 347.488 2.318 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCC1CC1)CC2 ZINC001507352738 1115216162 /nfs/dbraw/zinc/21/61/62/1115216162.db2.gz OIHRFYQLEJNLGC-HKUYNNGSSA-N 2 2 330.476 2.266 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC1CC1)CC2 ZINC001507352738 1115216164 /nfs/dbraw/zinc/21/61/64/1115216164.db2.gz OIHRFYQLEJNLGC-HKUYNNGSSA-N 2 2 330.476 2.266 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@@H]1[N@H+](C/C=C/Cl)CC2 ZINC001507361029 1115222017 /nfs/dbraw/zinc/22/20/17/1115222017.db2.gz YTXPFLKJIYDRIB-MHMWAKODSA-N 2 2 336.867 2.218 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001507361029 1115222019 /nfs/dbraw/zinc/22/20/19/1115222019.db2.gz YTXPFLKJIYDRIB-MHMWAKODSA-N 2 2 336.867 2.218 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001508026245 1115392297 /nfs/dbraw/zinc/39/22/97/1115392297.db2.gz CYDJDCUFYDUUQL-LLVKDONJSA-N 2 2 333.263 2.392 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)o1 ZINC001508028463 1115392457 /nfs/dbraw/zinc/39/24/57/1115392457.db2.gz OYMXRVNIUHFTAG-GJZGRUSLSA-N 2 2 336.480 2.260 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001568062183 1124267308 /nfs/dbraw/zinc/26/73/08/1124267308.db2.gz WQZOFGNVXNFABR-DLBZAZTESA-N 2 2 330.476 2.074 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]Cc3ocnc3C)ccn12 ZINC001568272912 1124397893 /nfs/dbraw/zinc/39/78/93/1124397893.db2.gz FZGLJTPILZPMDW-LBPRGKRZSA-N 2 2 341.415 2.189 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC001568973014 1125012571 /nfs/dbraw/zinc/01/25/71/1125012571.db2.gz FKLKILGOEPBSPD-XQJDBVBESA-N 2 2 334.370 2.185 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CCC[NH2+]Cc1cc(C)ns1 ZINC001569213509 1125169691 /nfs/dbraw/zinc/16/96/91/1125169691.db2.gz DJMRDYWOGDGTLS-UHFFFAOYSA-N 2 2 348.472 2.036 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C)c1cccc(F)c1 ZINC001569257303 1125199693 /nfs/dbraw/zinc/19/96/93/1125199693.db2.gz BPELZGHDEAYLPJ-AWEZNQCLSA-N 2 2 332.423 2.301 10 0 EEAELP COc1cc(C[NH2+]CCc2cn3c([nH+]2)CCCC3)cc2c1OCO2 ZINC000097731794 219052815 /nfs/dbraw/zinc/05/28/15/219052815.db2.gz HFHOZRRNIJJFTP-UHFFFAOYSA-N 2 2 329.400 2.289 10 0 EEAELP C[N@H+](CCn1cc[nH+]c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000131179131 529940925 /nfs/dbraw/zinc/94/09/25/529940925.db2.gz TZLBGKHNXLKJCZ-HXUWFJFHSA-N 3 2 342.487 2.261 10 0 EEAELP C[N@@H+](CCn1cc[nH+]c1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000131179131 529940926 /nfs/dbraw/zinc/94/09/26/529940926.db2.gz TZLBGKHNXLKJCZ-HXUWFJFHSA-N 3 2 342.487 2.261 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1F ZINC000178292093 232126785 /nfs/dbraw/zinc/12/67/85/232126785.db2.gz YOGJESDARWDIHB-MSOLQXFVSA-N 2 2 347.434 2.373 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COCc1ccccc1F ZINC000178292093 232126788 /nfs/dbraw/zinc/12/67/88/232126788.db2.gz YOGJESDARWDIHB-MSOLQXFVSA-N 2 2 347.434 2.373 10 0 EEAELP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N(C)Cc2[nH+]ccn2C)cc[nH+]1 ZINC000330110736 539787920 /nfs/dbraw/zinc/78/79/20/539787920.db2.gz ALVKZSKEBYGWEW-WMLDXEAASA-N 2 2 344.463 2.462 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000352840987 539889454 /nfs/dbraw/zinc/88/94/54/539889454.db2.gz FYNHMLDNOUMKDC-KGLIPLIRSA-N 2 2 349.441 2.449 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1 ZINC000352840987 539889457 /nfs/dbraw/zinc/88/94/57/539889457.db2.gz FYNHMLDNOUMKDC-KGLIPLIRSA-N 2 2 349.441 2.449 10 0 EEAELP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422877151 240271254 /nfs/dbraw/zinc/27/12/54/240271254.db2.gz REBSCUITHASHBW-HZPDHXFCSA-N 2 2 326.387 2.453 10 0 EEAELP CC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cn2)CC1 ZINC000422888648 240275202 /nfs/dbraw/zinc/27/52/02/240275202.db2.gz DKXQHFAGAPMEFR-QUCCMNQESA-N 2 2 344.503 2.175 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000438832229 242053896 /nfs/dbraw/zinc/05/38/96/242053896.db2.gz CDQGYHYTCBNWII-DOTOQJQBSA-N 2 2 328.464 2.267 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000110921417 220080378 /nfs/dbraw/zinc/08/03/78/220080378.db2.gz HOMVPBFIHQRVQF-UHFFFAOYSA-N 2 2 345.487 2.077 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3[C@@H]4CC[C@H]3CC(O)C4)c2cc1C ZINC000111317768 220138817 /nfs/dbraw/zinc/13/88/17/220138817.db2.gz MRBXEENHOTXONW-FCLJQHQZSA-N 2 2 329.444 2.002 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3[C@@H]4CC[C@H]3CC(O)C4)c2cc1C ZINC000111317768 220138819 /nfs/dbraw/zinc/13/88/19/220138819.db2.gz MRBXEENHOTXONW-FCLJQHQZSA-N 2 2 329.444 2.002 10 0 EEAELP C[C@H](CCn1cncn1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000095420940 218361683 /nfs/dbraw/zinc/36/16/83/218361683.db2.gz RQVHENLLUXZPRF-MRXNPFEDSA-N 2 2 327.476 2.483 10 0 EEAELP C[C@H](CCn1cncn1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000095420940 218361686 /nfs/dbraw/zinc/36/16/86/218361686.db2.gz RQVHENLLUXZPRF-MRXNPFEDSA-N 2 2 327.476 2.483 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268804220 252257036 /nfs/dbraw/zinc/25/70/36/252257036.db2.gz BXSKGPNWEWULMD-RXVVDRJESA-N 3 2 345.531 2.333 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268804220 252257041 /nfs/dbraw/zinc/25/70/41/252257041.db2.gz BXSKGPNWEWULMD-RXVVDRJESA-N 3 2 345.531 2.333 10 0 EEAELP Brc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422775881 532973105 /nfs/dbraw/zinc/97/31/05/532973105.db2.gz BQHUUOTXIRLYAX-CABCVRRESA-N 2 2 325.250 2.306 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC2CC[NH2+]CC2)[C@@H]1c1cnn(C)c1 ZINC000261985083 285228925 /nfs/dbraw/zinc/22/89/25/285228925.db2.gz RUMJARFWTJEBIF-PKOBYXMFSA-N 3 2 333.524 2.125 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)CC2CC[NH2+]CC2)[C@@H]1c1cnn(C)c1 ZINC000261985083 285228927 /nfs/dbraw/zinc/22/89/27/285228927.db2.gz RUMJARFWTJEBIF-PKOBYXMFSA-N 3 2 333.524 2.125 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)CC2CC[NH2+]CC2)[C@@H]1c1cnn(C)c1 ZINC000261985083 285228928 /nfs/dbraw/zinc/22/89/28/285228928.db2.gz RUMJARFWTJEBIF-PKOBYXMFSA-N 3 2 333.524 2.125 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC2CC[NH2+]CC2)[C@@H]1c1cnn(C)c1 ZINC000261985083 285228932 /nfs/dbraw/zinc/22/89/32/285228932.db2.gz RUMJARFWTJEBIF-PKOBYXMFSA-N 3 2 333.524 2.125 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000247020798 256015194 /nfs/dbraw/zinc/01/51/94/256015194.db2.gz SMFHCKRCWXYWJU-HOTGVXAUSA-N 2 2 326.444 2.430 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000247020798 256015196 /nfs/dbraw/zinc/01/51/96/256015196.db2.gz SMFHCKRCWXYWJU-HOTGVXAUSA-N 2 2 326.444 2.430 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CCCS(=O)(=O)C(C)C)C2)[nH+]1 ZINC000119541963 221344459 /nfs/dbraw/zinc/34/44/59/221344459.db2.gz BRBNJVVFXNXAOI-MRXNPFEDSA-N 2 2 339.505 2.337 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+](CCCS(=O)(=O)C(C)C)C2)[nH+]1 ZINC000119541963 221344461 /nfs/dbraw/zinc/34/44/61/221344461.db2.gz BRBNJVVFXNXAOI-MRXNPFEDSA-N 2 2 339.505 2.337 10 0 EEAELP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000261991455 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2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357726583 153307121 /nfs/dbraw/zinc/30/71/21/153307121.db2.gz GVMJCWJCUUPOAO-LNLFQRSKSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357726583 153307125 /nfs/dbraw/zinc/30/71/25/153307125.db2.gz GVMJCWJCUUPOAO-LNLFQRSKSA-N 2 2 331.504 2.457 10 0 EEAELP C[N@H+](CCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000377328174 154144814 /nfs/dbraw/zinc/14/48/14/154144814.db2.gz AFHYRWSFAMAZKM-CQSZACIVSA-N 2 2 333.480 2.221 10 0 EEAELP C[N@@H+](CCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000377328174 154144817 /nfs/dbraw/zinc/14/48/17/154144817.db2.gz AFHYRWSFAMAZKM-CQSZACIVSA-N 2 2 333.480 2.221 10 0 EEAELP C[N@H+](CCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000377328174 154144821 /nfs/dbraw/zinc/14/48/21/154144821.db2.gz AFHYRWSFAMAZKM-CQSZACIVSA-N 2 2 333.480 2.221 10 0 EEAELP C[N@@H+](CCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000377328174 154144823 /nfs/dbraw/zinc/14/48/23/154144823.db2.gz AFHYRWSFAMAZKM-CQSZACIVSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186528303 160073419 /nfs/dbraw/zinc/07/34/19/160073419.db2.gz OQHVRWMXNRRKSB-QGZVFWFLSA-N 2 2 345.491 2.178 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186535439 160074658 /nfs/dbraw/zinc/07/46/58/160074658.db2.gz GOUIGHISGXJLIF-SJORKVTESA-N 2 2 345.491 2.032 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186535439 160074660 /nfs/dbraw/zinc/07/46/60/160074660.db2.gz GOUIGHISGXJLIF-SJORKVTESA-N 2 2 345.491 2.032 10 0 EEAELP CC(C)[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000193634127 160184589 /nfs/dbraw/zinc/18/45/89/160184589.db2.gz ZICHCDJIVWAYAC-JTDSTZFVSA-N 2 2 333.451 2.132 10 0 EEAELP CC(C)[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000193634127 160184590 /nfs/dbraw/zinc/18/45/90/160184590.db2.gz ZICHCDJIVWAYAC-JTDSTZFVSA-N 2 2 333.451 2.132 10 0 EEAELP CC(C)[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000193634127 160184591 /nfs/dbraw/zinc/18/45/91/160184591.db2.gz ZICHCDJIVWAYAC-JTDSTZFVSA-N 2 2 333.451 2.132 10 0 EEAELP CC(C)[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000193634127 160184593 /nfs/dbraw/zinc/18/45/93/160184593.db2.gz ZICHCDJIVWAYAC-JTDSTZFVSA-N 2 2 333.451 2.132 10 0 EEAELP CC[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193655720 160185587 /nfs/dbraw/zinc/18/55/87/160185587.db2.gz JKPZTTDZLXDHNH-UXLLHSPISA-N 2 2 335.879 2.401 10 0 EEAELP CC[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193655720 160185588 /nfs/dbraw/zinc/18/55/88/160185588.db2.gz JKPZTTDZLXDHNH-UXLLHSPISA-N 2 2 335.879 2.401 10 0 EEAELP CC[C@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193655720 160185589 /nfs/dbraw/zinc/18/55/89/160185589.db2.gz JKPZTTDZLXDHNH-UXLLHSPISA-N 2 2 335.879 2.401 10 0 EEAELP CC[C@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193655720 160185590 /nfs/dbraw/zinc/18/55/90/160185590.db2.gz JKPZTTDZLXDHNH-UXLLHSPISA-N 2 2 335.879 2.401 10 0 EEAELP C[C@@H]1CC[C@@H](CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000245885206 160255676 /nfs/dbraw/zinc/25/56/76/160255676.db2.gz IMWCYAKIPPGOEI-BBCBXFPWSA-N 2 2 349.519 2.104 10 0 EEAELP C[C@@H]1CC[C@@H](CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000245885206 160255678 /nfs/dbraw/zinc/25/56/78/160255678.db2.gz IMWCYAKIPPGOEI-BBCBXFPWSA-N 2 2 349.519 2.104 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000247273489 160317961 /nfs/dbraw/zinc/31/79/61/160317961.db2.gz SJWYKJPAYCBFRE-GOEBONIOSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000247273489 160317963 /nfs/dbraw/zinc/31/79/63/160317963.db2.gz SJWYKJPAYCBFRE-GOEBONIOSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000247273489 160317964 /nfs/dbraw/zinc/31/79/64/160317964.db2.gz SJWYKJPAYCBFRE-GOEBONIOSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000247273489 160317966 /nfs/dbraw/zinc/31/79/66/160317966.db2.gz SJWYKJPAYCBFRE-GOEBONIOSA-N 2 2 347.459 2.058 10 0 EEAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000343984695 161186640 /nfs/dbraw/zinc/18/66/40/161186640.db2.gz PLEMECIYZCMLGW-YESZJQIVSA-N 2 2 349.523 2.431 10 0 EEAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000343984695 161186641 /nfs/dbraw/zinc/18/66/41/161186641.db2.gz PLEMECIYZCMLGW-YESZJQIVSA-N 2 2 349.523 2.431 10 0 EEAELP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000355349884 163155810 /nfs/dbraw/zinc/15/58/10/163155810.db2.gz BJAMNPRGXWQAMR-HUUCEWRRSA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000355349884 163155812 /nfs/dbraw/zinc/15/58/12/163155812.db2.gz BJAMNPRGXWQAMR-HUUCEWRRSA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000355349884 163155814 /nfs/dbraw/zinc/15/58/14/163155814.db2.gz BJAMNPRGXWQAMR-HUUCEWRRSA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000355349884 163155817 /nfs/dbraw/zinc/15/58/17/163155817.db2.gz BJAMNPRGXWQAMR-HUUCEWRRSA-N 2 2 332.492 2.486 10 0 EEAELP CCCc1nsc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000360076748 164228416 /nfs/dbraw/zinc/22/84/16/164228416.db2.gz XYRZQKBCLFJGPZ-UHFFFAOYSA-N 2 2 337.537 2.275 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000370024741 166378719 /nfs/dbraw/zinc/37/87/19/166378719.db2.gz FTCLMCDRJHNQSU-OAHLLOKOSA-N 2 2 341.459 2.255 10 0 EEAELP COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000123281292 222249041 /nfs/dbraw/zinc/24/90/41/222249041.db2.gz MKCQBIQHVGXEJM-DZGCQCFKSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000123281292 222249045 /nfs/dbraw/zinc/24/90/45/222249045.db2.gz MKCQBIQHVGXEJM-DZGCQCFKSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000123281292 222249046 /nfs/dbraw/zinc/24/90/46/222249046.db2.gz MKCQBIQHVGXEJM-DZGCQCFKSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000123281292 222249051 /nfs/dbraw/zinc/24/90/51/222249051.db2.gz MKCQBIQHVGXEJM-DZGCQCFKSA-N 2 2 335.448 2.057 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)CCCOc2ccccc2)CC[N@@H+]1C ZINC000123646664 222311568 /nfs/dbraw/zinc/31/15/68/222311568.db2.gz KVVROKXCAOTZPN-QZTJIDSGSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N(C)CCCOc2ccccc2)CC[N@H+]1C ZINC000123646664 222311572 /nfs/dbraw/zinc/31/15/72/222311572.db2.gz KVVROKXCAOTZPN-QZTJIDSGSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N(C)CCCOc2ccccc2)CC[NH+]1C ZINC000123646664 222311575 /nfs/dbraw/zinc/31/15/75/222311575.db2.gz KVVROKXCAOTZPN-QZTJIDSGSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N(C)CCCOc2ccccc2)CC[NH+]1C ZINC000123646664 222311578 /nfs/dbraw/zinc/31/15/78/222311578.db2.gz KVVROKXCAOTZPN-QZTJIDSGSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000415006526 274239714 /nfs/dbraw/zinc/23/97/14/274239714.db2.gz KLUJRXKJKFVGGC-ZJUUUORDSA-N 2 2 329.238 2.436 10 0 EEAELP Cc1ccc2[nH+]cc(C[NH2+]Cc3cccc(N4CCOCC4)n3)n2c1 ZINC000274823781 269058510 /nfs/dbraw/zinc/05/85/10/269058510.db2.gz SJFZPCYGAQPFNJ-UHFFFAOYSA-N 2 2 337.427 2.164 10 0 EEAELP O[C@@H](COCc1ccccc1F)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336883049 272908597 /nfs/dbraw/zinc/90/85/97/272908597.db2.gz YANKCNQFLIYLFV-MRXNPFEDSA-N 2 2 333.407 2.306 10 0 EEAELP COc1ccccc1N1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422831326 274158477 /nfs/dbraw/zinc/15/84/77/274158477.db2.gz DRYCUAMZYGKGCB-UXHICEINSA-N 2 2 345.487 2.021 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292128042 275380832 /nfs/dbraw/zinc/38/08/32/275380832.db2.gz KXKQYGFFUKFCST-DNVCBOLYSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292128042 275380833 /nfs/dbraw/zinc/38/08/33/275380833.db2.gz KXKQYGFFUKFCST-DNVCBOLYSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292128042 275380834 /nfs/dbraw/zinc/38/08/34/275380834.db2.gz KXKQYGFFUKFCST-DNVCBOLYSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292128042 275380836 /nfs/dbraw/zinc/38/08/36/275380836.db2.gz KXKQYGFFUKFCST-DNVCBOLYSA-N 2 2 333.451 2.200 10 0 EEAELP Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(C)[nH+]1 ZINC000333115632 312095140 /nfs/dbraw/zinc/09/51/40/312095140.db2.gz HGJMTURXRMENKX-RDJZCZTQSA-N 2 2 332.448 2.449 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC3(CC[NH2+]3)CC2)nc[nH+]1 ZINC000333286778 312124906 /nfs/dbraw/zinc/12/49/06/312124906.db2.gz NMDKDCNRDBCHBE-QAPCUYQASA-N 2 2 345.491 2.424 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC3(CC[NH2+]3)CC2)[nH+]cn1 ZINC000333286778 312124908 /nfs/dbraw/zinc/12/49/08/312124908.db2.gz NMDKDCNRDBCHBE-QAPCUYQASA-N 2 2 345.491 2.424 10 0 EEAELP C[C@H]1C[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[N@@H+]1C ZINC000340960780 312260200 /nfs/dbraw/zinc/26/02/00/312260200.db2.gz OCMISKNBTYSJPX-WCQYABFASA-N 2 2 335.839 2.270 10 0 EEAELP C[C@H]1C[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[N@H+]1C ZINC000340960780 312260202 /nfs/dbraw/zinc/26/02/02/312260202.db2.gz OCMISKNBTYSJPX-WCQYABFASA-N 2 2 335.839 2.270 10 0 EEAELP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416935859 313365883 /nfs/dbraw/zinc/36/58/83/313365883.db2.gz GZQJVLGNTVLPMK-SMDDNHRTSA-N 2 2 335.839 2.304 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000418578836 313851414 /nfs/dbraw/zinc/85/14/14/313851414.db2.gz QMNAAMIQMIOPTO-BMFZPTHFSA-N 2 2 327.432 2.139 10 0 EEAELP O=C(C[NH+]1CCC2(CC[NH2+]2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000422639164 314297879 /nfs/dbraw/zinc/29/78/79/314297879.db2.gz SFTNSMDGUMIOBN-UHFFFAOYSA-N 2 2 341.499 2.296 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3[C@H](C)O[C@H](C)[C@H]3C)c2cc1C ZINC000528751437 317469261 /nfs/dbraw/zinc/46/92/61/317469261.db2.gz CVMXHXVWTCCOKK-FDQIELQPSA-N 2 2 331.460 2.416 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000530223654 317701695 /nfs/dbraw/zinc/70/16/95/317701695.db2.gz UCZPWQACNLRWBC-YOEHRIQHSA-N 2 2 349.500 2.162 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@@H]1CCOC1 ZINC000545949104 318235274 /nfs/dbraw/zinc/23/52/74/318235274.db2.gz LROUGGDQFWAXKT-KGLIPLIRSA-N 2 2 328.416 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000545949104 318235275 /nfs/dbraw/zinc/23/52/75/318235275.db2.gz LROUGGDQFWAXKT-KGLIPLIRSA-N 2 2 328.416 2.372 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CCCc3occc32)C1=O ZINC000565931953 319227073 /nfs/dbraw/zinc/22/70/73/319227073.db2.gz FKBPPICXVKYUSR-CABCVRRESA-N 2 2 328.416 2.171 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]1 ZINC000568059238 319450054 /nfs/dbraw/zinc/45/00/54/319450054.db2.gz DASYJUOLMSOXQD-BZUAXINKSA-N 2 2 345.491 2.249 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N(C)CCC[NH+](C)C ZINC000185245034 323434710 /nfs/dbraw/zinc/43/47/10/323434710.db2.gz YGSDZGIHFGSLJV-UHFFFAOYSA-N 2 2 331.464 2.328 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC2([NH3+])CCC2)c(C)c1 ZINC000582476023 324460241 /nfs/dbraw/zinc/46/02/41/324460241.db2.gz GAFQJWMPCDTPLT-KRWDZBQOSA-N 2 2 341.459 2.422 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@H]1n1cccn1 ZINC000583645779 324704503 /nfs/dbraw/zinc/70/45/03/324704503.db2.gz NNVCYBIRLHRZIQ-YQVWRLOYSA-N 2 2 341.459 2.255 10 0 EEAELP Cc1nc(NCCC[N@@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000488397844 447846665 /nfs/dbraw/zinc/84/66/65/447846665.db2.gz ONOMTFBTZLUBIT-UHFFFAOYSA-N 2 2 326.448 2.106 10 0 EEAELP Cc1nc(NCCC[N@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000488397844 447846667 /nfs/dbraw/zinc/84/66/67/447846667.db2.gz ONOMTFBTZLUBIT-UHFFFAOYSA-N 2 2 326.448 2.106 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC/C=C\c2ccccc2)CC1 ZINC000255113780 465026041 /nfs/dbraw/zinc/02/60/41/465026041.db2.gz HLBZWNWOTKYZEN-TWGQIWQCSA-N 2 2 330.476 2.025 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000358315790 465054050 /nfs/dbraw/zinc/05/40/50/465054050.db2.gz HCWLWWZWJXJRIP-XPKDYRNWSA-N 2 2 346.393 2.276 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000358315790 465054055 /nfs/dbraw/zinc/05/40/55/465054055.db2.gz HCWLWWZWJXJRIP-XPKDYRNWSA-N 2 2 346.393 2.276 10 0 EEAELP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337024557 465153042 /nfs/dbraw/zinc/15/30/42/465153042.db2.gz BPJGFLRNZOXMAK-HZPDHXFCSA-N 2 2 347.507 2.449 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000358657329 465246401 /nfs/dbraw/zinc/24/64/01/465246401.db2.gz CJKDNDCPFDDPPI-UHFFFAOYSA-N 2 2 345.491 2.263 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)CC1 ZINC000358657329 465246410 /nfs/dbraw/zinc/24/64/10/465246410.db2.gz CJKDNDCPFDDPPI-UHFFFAOYSA-N 2 2 345.491 2.263 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000337275836 465280378 /nfs/dbraw/zinc/28/03/78/465280378.db2.gz GDQRBYBBCYSWBD-ZACQAIPSSA-N 2 2 330.476 2.300 10 0 EEAELP C[NH+](C)Cc1cccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)c1 ZINC000351720134 465315911 /nfs/dbraw/zinc/31/59/11/465315911.db2.gz MYFUJPDZHIHWER-UHFFFAOYSA-N 2 2 335.411 2.259 10 0 EEAELP O=C(NCCC[NH+]1CCCC1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000045121250 462560785 /nfs/dbraw/zinc/56/07/85/462560785.db2.gz XWWRLFAGWGSZPX-UHFFFAOYSA-N 2 2 335.839 2.273 10 0 EEAELP CSc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113516291 462599791 /nfs/dbraw/zinc/59/97/91/462599791.db2.gz ZYBFYVSIBRJDMI-MRXNPFEDSA-N 2 2 335.517 2.250 10 0 EEAELP CSc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113516291 462599795 /nfs/dbraw/zinc/59/97/95/462599795.db2.gz ZYBFYVSIBRJDMI-MRXNPFEDSA-N 2 2 335.517 2.250 10 0 EEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000113586853 462604109 /nfs/dbraw/zinc/60/41/09/462604109.db2.gz PBSHGXFOTWWXHL-NVXWUHKLSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000113586853 462604115 /nfs/dbraw/zinc/60/41/15/462604115.db2.gz PBSHGXFOTWWXHL-NVXWUHKLSA-N 2 2 343.475 2.060 10 0 EEAELP OC1(C[NH+]2CCOCC2)CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000568260386 468310886 /nfs/dbraw/zinc/31/08/86/468310886.db2.gz WPYZDNSRBLMLHT-UHFFFAOYSA-N 2 2 345.418 2.037 10 0 EEAELP CCO[C@@H](C)C(=O)N[C@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000064420715 462702063 /nfs/dbraw/zinc/70/20/63/462702063.db2.gz WUNCLVZRPLKYAW-QFBILLFUSA-N 2 2 347.503 2.295 10 0 EEAELP CCO[C@@H](C)C(=O)N[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000064420715 462702068 /nfs/dbraw/zinc/70/20/68/462702068.db2.gz WUNCLVZRPLKYAW-QFBILLFUSA-N 2 2 347.503 2.295 10 0 EEAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000131237743 462800594 /nfs/dbraw/zinc/80/05/94/462800594.db2.gz RYGOCQAPUAOURE-LJQANCHMSA-N 2 2 338.455 2.149 10 0 EEAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000131237743 462800602 /nfs/dbraw/zinc/80/06/02/462800602.db2.gz RYGOCQAPUAOURE-LJQANCHMSA-N 2 2 338.455 2.149 10 0 EEAELP C[C@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000119512886 462907594 /nfs/dbraw/zinc/90/75/94/462907594.db2.gz GWWOKOAYPPPGDP-AEFFLSMTSA-N 2 2 338.517 2.121 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000119512886 462907597 /nfs/dbraw/zinc/90/75/97/462907597.db2.gz GWWOKOAYPPPGDP-AEFFLSMTSA-N 2 2 338.517 2.121 10 0 EEAELP C[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000119512886 462907603 /nfs/dbraw/zinc/90/76/03/462907603.db2.gz GWWOKOAYPPPGDP-AEFFLSMTSA-N 2 2 338.517 2.121 10 0 EEAELP CCCCc1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000119675975 462921369 /nfs/dbraw/zinc/92/13/69/462921369.db2.gz POLWASVLKPWEEF-SJPCQFCGSA-N 2 2 347.507 2.155 10 0 EEAELP CCCCc1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000119675975 462921374 /nfs/dbraw/zinc/92/13/74/462921374.db2.gz POLWASVLKPWEEF-SJPCQFCGSA-N 2 2 347.507 2.155 10 0 EEAELP C[NH+]1CCC(CNC(=O)Cc2ccc(O)cc2)([NH+]2CCCCC2)CC1 ZINC000133987098 462991807 /nfs/dbraw/zinc/99/18/07/462991807.db2.gz ASSWYNSUHSJAJQ-UHFFFAOYSA-N 2 2 345.487 2.001 10 0 EEAELP CCCn1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000121213715 463098145 /nfs/dbraw/zinc/09/81/45/463098145.db2.gz KWUGEIJRCYIIOE-UHFFFAOYSA-N 2 2 330.480 2.086 10 0 EEAELP CCCn1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000121213715 463098148 /nfs/dbraw/zinc/09/81/48/463098148.db2.gz KWUGEIJRCYIIOE-UHFFFAOYSA-N 2 2 330.480 2.086 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000069172079 463217394 /nfs/dbraw/zinc/21/73/94/463217394.db2.gz PJENGXOEZKUOPX-WMLDXEAASA-N 2 2 334.460 2.219 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000069172079 463217401 /nfs/dbraw/zinc/21/74/01/463217401.db2.gz PJENGXOEZKUOPX-WMLDXEAASA-N 2 2 334.460 2.219 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000138883798 463314561 /nfs/dbraw/zinc/31/45/61/463314561.db2.gz QDVUJHSBXVVHAB-KRWDZBQOSA-N 2 2 347.507 2.116 10 0 EEAELP CC(=O)Oc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000123121533 463318864 /nfs/dbraw/zinc/31/88/64/463318864.db2.gz LBHIDBXQAZHBIU-IBGZPJMESA-N 2 2 345.487 2.214 10 0 EEAELP CC(=O)Oc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000123121533 463318869 /nfs/dbraw/zinc/31/88/69/463318869.db2.gz LBHIDBXQAZHBIU-IBGZPJMESA-N 2 2 345.487 2.214 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cnn(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000097095378 463321729 /nfs/dbraw/zinc/32/17/29/463321729.db2.gz VIDUTJVXLQFSMJ-AHRSYUTCSA-N 2 2 342.487 2.128 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)c2cnn(C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000097095378 463321734 /nfs/dbraw/zinc/32/17/34/463321734.db2.gz VIDUTJVXLQFSMJ-AHRSYUTCSA-N 2 2 342.487 2.128 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[N@@H+]1C ZINC000124025358 463386049 /nfs/dbraw/zinc/38/60/49/463386049.db2.gz NADNPAZLVOPHSD-HZSPNIEDSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000124025358 463386055 /nfs/dbraw/zinc/38/60/55/463386055.db2.gz NADNPAZLVOPHSD-HZSPNIEDSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[NH+]1C ZINC000124025358 463386061 /nfs/dbraw/zinc/38/60/61/463386061.db2.gz NADNPAZLVOPHSD-HZSPNIEDSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC[NH+]1C ZINC000124025358 463386067 /nfs/dbraw/zinc/38/60/67/463386067.db2.gz NADNPAZLVOPHSD-HZSPNIEDSA-N 2 2 335.414 2.202 10 0 EEAELP O=C(Cn1cc[nH+]c1)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000553258418 468358564 /nfs/dbraw/zinc/35/85/64/468358564.db2.gz QAEHPLPYOYUGTF-UHFFFAOYSA-N 2 2 333.395 2.480 10 0 EEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000106426165 463515296 /nfs/dbraw/zinc/51/52/96/463515296.db2.gz QBTAARUUFHYHIU-IRXDYDNUSA-N 2 2 329.444 2.171 10 0 EEAELP CN(CC[NH+]1CCCC1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000112741977 463706706 /nfs/dbraw/zinc/70/67/06/463706706.db2.gz RMNTUKMWGHOAQX-UHFFFAOYSA-N 2 2 335.839 2.225 10 0 EEAELP COCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000286883791 463733369 /nfs/dbraw/zinc/73/33/69/463733369.db2.gz COGFFOWAVPPCMI-AZUAARDMSA-N 2 2 349.519 2.387 10 0 EEAELP COCC[N@H+]1CC[C@H](NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000286883791 463733376 /nfs/dbraw/zinc/73/33/76/463733376.db2.gz COGFFOWAVPPCMI-AZUAARDMSA-N 2 2 349.519 2.387 10 0 EEAELP C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000193812636 463743458 /nfs/dbraw/zinc/74/34/58/463743458.db2.gz PKJCHUQUPWSZIA-QWNKOJSDSA-N 2 2 348.487 2.494 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000177815902 463799266 /nfs/dbraw/zinc/79/92/66/463799266.db2.gz VXKOJTFCPOBVNC-QFBILLFUSA-N 2 2 338.455 2.321 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000177815902 463799271 /nfs/dbraw/zinc/79/92/71/463799271.db2.gz VXKOJTFCPOBVNC-QFBILLFUSA-N 2 2 338.455 2.321 10 0 EEAELP Cc1[nH+]ccn1CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000579578453 468377750 /nfs/dbraw/zinc/37/77/50/468377750.db2.gz CAFXPGROSJKYNC-UHFFFAOYSA-N 2 2 346.341 2.140 10 0 EEAELP c1cn(-c2csc(CN3CC[NH2+]C[C@H]3c3cccnc3)c2)c[nH+]1 ZINC000261628713 463807325 /nfs/dbraw/zinc/80/73/25/463807325.db2.gz FCDVTVQWFMMJFW-KRWDZBQOSA-N 2 2 325.441 2.475 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCS[C@@H](C)C3)CC2)c1 ZINC000171691820 463905931 /nfs/dbraw/zinc/90/59/31/463905931.db2.gz VXHPVCQKHWIWPV-KRWDZBQOSA-N 2 2 347.528 2.077 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCS[C@@H](C)C3)CC2)c1 ZINC000171691820 463905937 /nfs/dbraw/zinc/90/59/37/463905937.db2.gz VXHPVCQKHWIWPV-KRWDZBQOSA-N 2 2 347.528 2.077 10 0 EEAELP c1cn(Cc2ccccc2)c(CN2CC[NH2+]C[C@@H]2c2ccncc2)[nH+]1 ZINC000262007954 463924138 /nfs/dbraw/zinc/92/41/38/463924138.db2.gz MADYEYPDCVDWBB-LJQANCHMSA-N 2 2 333.439 2.473 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000172415216 464075666 /nfs/dbraw/zinc/07/56/66/464075666.db2.gz FWXWSHLIAOGPKG-INIZCTEOSA-N 2 2 325.416 2.399 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000172415216 464075672 /nfs/dbraw/zinc/07/56/72/464075672.db2.gz FWXWSHLIAOGPKG-INIZCTEOSA-N 2 2 325.416 2.399 10 0 EEAELP C[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+]1CCCCCC1 ZINC000172424879 464078536 /nfs/dbraw/zinc/07/85/36/464078536.db2.gz YJHRWSGDXYSTLX-HNNXBMFYSA-N 2 2 327.432 2.148 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000270966678 464272570 /nfs/dbraw/zinc/27/25/70/464272570.db2.gz BBMVHONHKVCTNG-IKGGRYGDSA-N 2 2 339.430 2.412 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000270966678 464272577 /nfs/dbraw/zinc/27/25/77/464272577.db2.gz BBMVHONHKVCTNG-IKGGRYGDSA-N 2 2 339.430 2.412 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C ZINC000173648750 464301519 /nfs/dbraw/zinc/30/15/19/464301519.db2.gz CJDPRJHQVVOJHR-GOEBONIOSA-N 2 2 329.448 2.001 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C ZINC000173648750 464301526 /nfs/dbraw/zinc/30/15/26/464301526.db2.gz CJDPRJHQVVOJHR-GOEBONIOSA-N 2 2 329.448 2.001 10 0 EEAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000284875909 464376548 /nfs/dbraw/zinc/37/65/48/464376548.db2.gz QGSHMBKGZNEKBU-SOLBZPMBSA-N 2 2 330.480 2.068 10 0 EEAELP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000284875909 464376553 /nfs/dbraw/zinc/37/65/53/464376553.db2.gz QGSHMBKGZNEKBU-SOLBZPMBSA-N 2 2 330.480 2.068 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)CCO1 ZINC000181569265 464508681 /nfs/dbraw/zinc/50/86/81/464508681.db2.gz ZSKLJDGYXCCWTR-OAHLLOKOSA-N 2 2 326.481 2.293 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)CCO1 ZINC000181569265 464508688 /nfs/dbraw/zinc/50/86/88/464508688.db2.gz ZSKLJDGYXCCWTR-OAHLLOKOSA-N 2 2 326.481 2.293 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000175541786 464571319 /nfs/dbraw/zinc/57/13/19/464571319.db2.gz OKYJDMXYTLCIQK-HOTGVXAUSA-N 2 2 345.447 2.261 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(COC)c2)[C@@H](C)C1 ZINC000247218933 464657648 /nfs/dbraw/zinc/65/76/48/464657648.db2.gz RDDAVMAKUANQHF-QFBILLFUSA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(COC)c2)[C@@H](C)C1 ZINC000247218933 464657652 /nfs/dbraw/zinc/65/76/52/464657652.db2.gz RDDAVMAKUANQHF-QFBILLFUSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(COC)c2)[C@@H](C)C1 ZINC000247218933 464657657 /nfs/dbraw/zinc/65/76/57/464657657.db2.gz RDDAVMAKUANQHF-QFBILLFUSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(COC)c2)[C@@H](C)C1 ZINC000247218933 464657661 /nfs/dbraw/zinc/65/76/61/464657661.db2.gz RDDAVMAKUANQHF-QFBILLFUSA-N 2 2 347.503 2.111 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)ccc1F ZINC000182974467 464769171 /nfs/dbraw/zinc/76/91/71/464769171.db2.gz OKNRCUAJXHVURR-IRXDYDNUSA-N 2 2 342.480 2.333 10 0 EEAELP C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@@H+]1CCc2sccc2C1 ZINC000183341595 464852035 /nfs/dbraw/zinc/85/20/35/464852035.db2.gz DBKUYIGZEUEKDG-ZDUSSCGKSA-N 2 2 344.484 2.386 10 0 EEAELP C[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)[N@H+]1CCc2sccc2C1 ZINC000183341595 464852039 /nfs/dbraw/zinc/85/20/39/464852039.db2.gz DBKUYIGZEUEKDG-ZDUSSCGKSA-N 2 2 344.484 2.386 10 0 EEAELP CCC(CC)[C@@H](CNc1cc[nH+]c(N2CCOCC2)n1)[NH+]1CCCC1 ZINC000352409878 465525670 /nfs/dbraw/zinc/52/56/70/465525670.db2.gz MOJBVHFALWGNIW-QGZVFWFLSA-N 2 2 347.507 2.626 10 0 EEAELP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000339864306 465560542 /nfs/dbraw/zinc/56/05/42/465560542.db2.gz CCWZIQMVDWDQHO-KRWDZBQOSA-N 2 2 342.549 2.399 10 0 EEAELP CS(=O)(=O)CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000339864306 465560548 /nfs/dbraw/zinc/56/05/48/465560548.db2.gz CCWZIQMVDWDQHO-KRWDZBQOSA-N 2 2 342.549 2.399 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000366534767 465787934 /nfs/dbraw/zinc/78/79/34/465787934.db2.gz LVSVGTXNGZNVID-IFXJQAMLSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000366534767 465787938 /nfs/dbraw/zinc/78/79/38/465787938.db2.gz LVSVGTXNGZNVID-IFXJQAMLSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000366534767 465787944 /nfs/dbraw/zinc/78/79/44/465787944.db2.gz LVSVGTXNGZNVID-IFXJQAMLSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000366534767 465787947 /nfs/dbraw/zinc/78/79/47/465787947.db2.gz LVSVGTXNGZNVID-IFXJQAMLSA-N 2 2 347.459 2.058 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000330822363 465817925 /nfs/dbraw/zinc/81/79/25/465817925.db2.gz NSJWMUZNJJVXGM-UHFFFAOYSA-N 2 2 341.459 2.266 10 0 EEAELP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357815650 466236008 /nfs/dbraw/zinc/23/60/08/466236008.db2.gz LKLODKHWAFQEFW-MRXNPFEDSA-N 2 2 347.507 2.470 10 0 EEAELP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357815650 466236016 /nfs/dbraw/zinc/23/60/16/466236016.db2.gz LKLODKHWAFQEFW-MRXNPFEDSA-N 2 2 347.507 2.470 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569358699 468480202 /nfs/dbraw/zinc/48/02/02/468480202.db2.gz HXNWGNJLHJDEOA-KKUMJFAQSA-N 2 2 333.480 2.234 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@@H]2C)CC1 ZINC000349873463 466287042 /nfs/dbraw/zinc/28/70/42/466287042.db2.gz CMRCVGUQAKJMDN-IRXDYDNUSA-N 2 2 347.528 2.329 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@@H]2C)CC1 ZINC000349873463 466287049 /nfs/dbraw/zinc/28/70/49/466287049.db2.gz CMRCVGUQAKJMDN-IRXDYDNUSA-N 2 2 347.528 2.329 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)C1(S(C)(=O)=O)CC1 ZINC000353989018 466305242 /nfs/dbraw/zinc/30/52/42/466305242.db2.gz ZAZALFLLRWOKRV-UONOGXRCSA-N 2 2 333.457 2.489 10 0 EEAELP CCC1(C)CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000362007440 466476550 /nfs/dbraw/zinc/47/65/50/466476550.db2.gz CBRNTAOXBWOQIE-UHFFFAOYSA-N 2 2 336.524 2.378 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000354331256 466480392 /nfs/dbraw/zinc/48/03/92/466480392.db2.gz CJAQUFNBPMLBSY-KRWDZBQOSA-N 2 2 328.460 2.381 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000354331256 466480399 /nfs/dbraw/zinc/48/03/99/466480399.db2.gz CJAQUFNBPMLBSY-KRWDZBQOSA-N 2 2 328.460 2.381 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1NC(C)=O ZINC000363787239 466616552 /nfs/dbraw/zinc/61/65/52/466616552.db2.gz XBPWBIOEDJODDY-RRQGHBQHSA-N 2 2 347.459 2.167 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1NC(C)=O ZINC000363787239 466616561 /nfs/dbraw/zinc/61/65/61/466616561.db2.gz XBPWBIOEDJODDY-RRQGHBQHSA-N 2 2 347.459 2.167 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423358690 466726921 /nfs/dbraw/zinc/72/69/21/466726921.db2.gz JSDKSEJPGLBRQH-HEHGZKQESA-N 2 2 325.478 2.097 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000374178007 467025891 /nfs/dbraw/zinc/02/58/91/467025891.db2.gz WWMGNEKTYAITKL-GOSISDBHSA-N 2 2 336.439 2.466 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418388527 467104343 /nfs/dbraw/zinc/10/43/43/467104343.db2.gz SMKYPUYHBGUYIE-KBPBESRZSA-N 2 2 336.867 2.090 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418603011 467134604 /nfs/dbraw/zinc/13/46/04/467134604.db2.gz WJGQIJXRVGYVKP-FMKPAKJESA-N 2 2 336.505 2.134 10 0 EEAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449391031 467636259 /nfs/dbraw/zinc/63/62/59/467636259.db2.gz HKZGLLSAEOUZBD-SJORKVTESA-N 2 2 333.476 2.149 10 0 EEAELP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449391031 467636261 /nfs/dbraw/zinc/63/62/61/467636261.db2.gz HKZGLLSAEOUZBD-SJORKVTESA-N 2 2 333.476 2.149 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000449396540 467637646 /nfs/dbraw/zinc/63/76/46/467637646.db2.gz SEMTYRKQCLFGJC-UYAOXDASSA-N 2 2 348.487 2.181 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000449396540 467637650 /nfs/dbraw/zinc/63/76/50/467637650.db2.gz SEMTYRKQCLFGJC-UYAOXDASSA-N 2 2 348.487 2.181 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000457911951 467728127 /nfs/dbraw/zinc/72/81/27/467728127.db2.gz MROIRRJWZQXJTD-RDJZCZTQSA-N 2 2 343.475 2.436 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000459144781 467952299 /nfs/dbraw/zinc/95/22/99/467952299.db2.gz GMZBUXKWNGSPDI-INIZCTEOSA-N 2 2 349.866 2.218 10 0 EEAELP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CC1(C)C ZINC000486964730 468015734 /nfs/dbraw/zinc/01/57/34/468015734.db2.gz HJDUXEHVFFDKME-JKSUJKDBSA-N 2 2 330.476 2.145 10 0 EEAELP CC(C)C[NH+]1CCC([NH2+]Cc2c(Br)cnn2C)CC1 ZINC000486971910 468016245 /nfs/dbraw/zinc/01/62/45/468016245.db2.gz TUGNVVSYZQYHMX-UHFFFAOYSA-N 2 2 329.286 2.393 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000518471378 468117280 /nfs/dbraw/zinc/11/72/80/468117280.db2.gz WWGYJCZZCLHRRN-UHFFFAOYSA-N 2 2 341.459 2.405 10 0 EEAELP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)n1cccc1 ZINC000550251237 468213341 /nfs/dbraw/zinc/21/33/41/468213341.db2.gz TVTIVPNHQZAPSI-KAKFPZCNSA-N 2 2 344.503 2.209 10 0 EEAELP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)n1cccc1 ZINC000550251237 468213343 /nfs/dbraw/zinc/21/33/43/468213343.db2.gz TVTIVPNHQZAPSI-KAKFPZCNSA-N 2 2 344.503 2.209 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)CCC2 ZINC000594494780 468608302 /nfs/dbraw/zinc/60/83/02/468608302.db2.gz FZRFSFYZJHELBU-KXBFYZLASA-N 2 2 346.471 2.409 10 0 EEAELP CC(C)(C)OC(=O)C1CCC(O)(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000600739383 468644336 /nfs/dbraw/zinc/64/43/36/468644336.db2.gz BXHYQAVZVTUFLS-BIWSTMPVSA-N 2 2 349.475 2.120 10 0 EEAELP CC(C)(C)OC(=O)C1CCC(O)(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000600739383 468644338 /nfs/dbraw/zinc/64/43/38/468644338.db2.gz BXHYQAVZVTUFLS-BIWSTMPVSA-N 2 2 349.475 2.120 10 0 EEAELP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)Cc1ccc(F)cc1 ZINC000560342407 468784840 /nfs/dbraw/zinc/78/48/40/468784840.db2.gz BIAWGMZREULARF-FQEVSTJZSA-N 2 2 343.446 2.378 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1c1ccccc1 ZINC000571458434 468791404 /nfs/dbraw/zinc/79/14/04/468791404.db2.gz DLFNWVRTVNETMJ-HFTRVMKXSA-N 2 2 339.443 2.012 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1c1ccccc1 ZINC000571458434 468791407 /nfs/dbraw/zinc/79/14/07/468791407.db2.gz DLFNWVRTVNETMJ-HFTRVMKXSA-N 2 2 339.443 2.012 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@H+](CCn3cc[nH+]c3C)C2)s1 ZINC000595910119 469076766 /nfs/dbraw/zinc/07/67/66/469076766.db2.gz BKKGCEKKILCQSR-ZDUSSCGKSA-N 2 2 334.445 2.314 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3C)C2)s1 ZINC000595910119 469076771 /nfs/dbraw/zinc/07/67/71/469076771.db2.gz BKKGCEKKILCQSR-ZDUSSCGKSA-N 2 2 334.445 2.314 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000612325749 469438421 /nfs/dbraw/zinc/43/84/21/469438421.db2.gz NFJXIOVHIUOUJO-CABCVRRESA-N 2 2 347.850 2.414 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000612325749 469438429 /nfs/dbraw/zinc/43/84/29/469438429.db2.gz NFJXIOVHIUOUJO-CABCVRRESA-N 2 2 347.850 2.414 10 0 EEAELP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087554 469498357 /nfs/dbraw/zinc/49/83/57/469498357.db2.gz RYIOXVMZFQSWFN-IAGOWNOFSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629512160 469569846 /nfs/dbraw/zinc/56/98/46/469569846.db2.gz BKGRJYCBZKZJGL-UZMCECQYSA-N 2 2 344.377 2.278 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000623173707 469570225 /nfs/dbraw/zinc/57/02/25/469570225.db2.gz ZOXUVOKAUSPOLF-QGZVFWFLSA-N 2 2 326.444 2.084 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000623173707 469570228 /nfs/dbraw/zinc/57/02/28/469570228.db2.gz ZOXUVOKAUSPOLF-QGZVFWFLSA-N 2 2 326.444 2.084 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584914 469584784 /nfs/dbraw/zinc/58/47/84/469584784.db2.gz WWOJCWJONXVIDT-KDURUIRLSA-N 2 2 333.451 2.106 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584914 469584789 /nfs/dbraw/zinc/58/47/89/469584789.db2.gz WWOJCWJONXVIDT-KDURUIRLSA-N 2 2 333.451 2.106 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)CC2 ZINC000623456960 469661598 /nfs/dbraw/zinc/66/15/98/469661598.db2.gz USECYDIXLQBZFE-KGLIPLIRSA-N 2 2 332.473 2.235 10 0 EEAELP CC(C)C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623477645 469669147 /nfs/dbraw/zinc/66/91/47/469669147.db2.gz NGNVRSPTHBOQQO-CHWSQXEVSA-N 2 2 347.467 2.404 10 0 EEAELP CC(C)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623477645 469669151 /nfs/dbraw/zinc/66/91/51/469669151.db2.gz NGNVRSPTHBOQQO-CHWSQXEVSA-N 2 2 347.467 2.404 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000629989967 469694943 /nfs/dbraw/zinc/69/49/43/469694943.db2.gz HIAKYCMXHLRION-OAHLLOKOSA-N 2 2 330.476 2.410 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CCC1 ZINC000629989967 469694946 /nfs/dbraw/zinc/69/49/46/469694946.db2.gz HIAKYCMXHLRION-OAHLLOKOSA-N 2 2 330.476 2.410 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)C[NH2+]1 ZINC000626927544 469757937 /nfs/dbraw/zinc/75/79/37/469757937.db2.gz REVKMVDYJGFFLH-DAXOMENPSA-N 2 2 345.422 2.088 10 0 EEAELP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000617766557 469797408 /nfs/dbraw/zinc/79/74/08/469797408.db2.gz PEXMMUYXUHCMGY-CQSZACIVSA-N 2 2 325.884 2.443 10 0 EEAELP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000617766557 469797414 /nfs/dbraw/zinc/79/74/14/469797414.db2.gz PEXMMUYXUHCMGY-CQSZACIVSA-N 2 2 325.884 2.443 10 0 EEAELP Cc1[nH]c2c(cccc2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000617767971 469799020 /nfs/dbraw/zinc/79/90/20/469799020.db2.gz KAPOSCMWBBNRBF-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP Cc1[nH]c2c(cccc2C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000617767971 469799025 /nfs/dbraw/zinc/79/90/25/469799025.db2.gz KAPOSCMWBBNRBF-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cccc(Cl)c1 ZINC000617768165 469799141 /nfs/dbraw/zinc/79/91/41/469799141.db2.gz RWURBMBGFAOQCT-UHFFFAOYSA-N 2 2 325.884 2.272 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cccc(Cl)c1 ZINC000617768165 469799146 /nfs/dbraw/zinc/79/91/46/469799146.db2.gz RWURBMBGFAOQCT-UHFFFAOYSA-N 2 2 325.884 2.272 10 0 EEAELP C[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@@H+]1CC(C)(C)O ZINC000624144567 469855485 /nfs/dbraw/zinc/85/54/85/469855485.db2.gz VKDMPJQJKYRVRC-CQSZACIVSA-N 2 2 339.443 2.164 10 0 EEAELP C[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CC[N@H+]1CC(C)(C)O ZINC000624144567 469855488 /nfs/dbraw/zinc/85/54/88/469855488.db2.gz VKDMPJQJKYRVRC-CQSZACIVSA-N 2 2 339.443 2.164 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000630786753 469992570 /nfs/dbraw/zinc/99/25/70/469992570.db2.gz SYENUSURGSVZCH-FUHWJXTLSA-N 2 2 331.460 2.188 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000630786753 469992574 /nfs/dbraw/zinc/99/25/74/469992574.db2.gz SYENUSURGSVZCH-FUHWJXTLSA-N 2 2 331.460 2.188 10 0 EEAELP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000631634571 470175651 /nfs/dbraw/zinc/17/56/51/470175651.db2.gz KUUNQJVKQVTVHN-RDJZCZTQSA-N 2 2 334.460 2.345 10 0 EEAELP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000631634571 470175652 /nfs/dbraw/zinc/17/56/52/470175652.db2.gz KUUNQJVKQVTVHN-RDJZCZTQSA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833091 470186254 /nfs/dbraw/zinc/18/62/54/470186254.db2.gz SIOQFGBAASJGGF-ARFHVFGLSA-N 2 2 333.476 2.464 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833091 470186255 /nfs/dbraw/zinc/18/62/55/470186255.db2.gz SIOQFGBAASJGGF-ARFHVFGLSA-N 2 2 333.476 2.464 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885797 470189275 /nfs/dbraw/zinc/18/92/75/470189275.db2.gz DWSYNRIPZIRYHQ-AEFFLSMTSA-N 2 2 333.451 2.248 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631885797 470189276 /nfs/dbraw/zinc/18/92/76/470189276.db2.gz DWSYNRIPZIRYHQ-AEFFLSMTSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000634576587 470267849 /nfs/dbraw/zinc/26/78/49/470267849.db2.gz VIEBDZBQTYERKM-GPMSIDNRSA-N 2 2 345.487 2.095 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000632795212 470271706 /nfs/dbraw/zinc/27/17/06/470271706.db2.gz WDEMGLRORUWSMK-ROUUACIJSA-N 2 2 342.418 2.060 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC[C@H](CO)C3)c2cc1C ZINC000647526870 470922902 /nfs/dbraw/zinc/92/29/02/470922902.db2.gz PFBBZKNOGDAACO-GVDBMIGSSA-N 2 2 331.460 2.155 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957573 471027522 /nfs/dbraw/zinc/02/75/22/471027522.db2.gz DQNHCMFNGREQFX-LJQANCHMSA-N 2 2 347.528 2.279 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957573 471027526 /nfs/dbraw/zinc/02/75/26/471027526.db2.gz DQNHCMFNGREQFX-LJQANCHMSA-N 2 2 347.528 2.279 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654661764 471119139 /nfs/dbraw/zinc/11/91/39/471119139.db2.gz OMXPRSQSOKESEA-IYBDPMFKSA-N 2 2 335.496 2.207 10 0 EEAELP CCc1cccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000651390651 471155763 /nfs/dbraw/zinc/15/57/63/471155763.db2.gz HECYTJCYDVCGMN-UHFFFAOYSA-N 2 2 346.519 2.416 10 0 EEAELP CCc1cccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000651390651 471155770 /nfs/dbraw/zinc/15/57/70/471155770.db2.gz HECYTJCYDVCGMN-UHFFFAOYSA-N 2 2 346.519 2.416 10 0 EEAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652358020 471278892 /nfs/dbraw/zinc/27/88/92/471278892.db2.gz YORKGGNWFXDSJR-RTBURBONSA-N 2 2 347.503 2.029 10 0 EEAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652358020 471278893 /nfs/dbraw/zinc/27/88/93/471278893.db2.gz YORKGGNWFXDSJR-RTBURBONSA-N 2 2 347.503 2.029 10 0 EEAELP C[C@@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1[nH+]ccn1C ZINC000660673610 471441398 /nfs/dbraw/zinc/44/13/98/471441398.db2.gz YNVZEJXQZZBZRN-GFCCVEGCSA-N 2 2 333.411 2.181 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000655736271 471461031 /nfs/dbraw/zinc/46/10/31/471461031.db2.gz FCTJFEYPJYXCRE-DNVCBOLYSA-N 2 2 341.459 2.171 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660737104 471465525 /nfs/dbraw/zinc/46/55/25/471465525.db2.gz STPJRMJUEQASFE-UHFFFAOYSA-N 2 2 347.507 2.460 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000669540657 471541810 /nfs/dbraw/zinc/54/18/10/471541810.db2.gz ZTWUKVZBPKWTBZ-AEFFLSMTSA-N 2 2 341.459 2.231 10 0 EEAELP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1CCN(c2cccc[nH+]2)CC1 ZINC000659287148 471567702 /nfs/dbraw/zinc/56/77/02/471567702.db2.gz DIIKBCFPDVHSRM-SFHVURJKSA-N 2 2 336.439 2.401 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000670076494 471670595 /nfs/dbraw/zinc/67/05/95/471670595.db2.gz MULTXQPLMSATBB-MRXNPFEDSA-N 2 2 345.491 2.488 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000670076494 471670598 /nfs/dbraw/zinc/67/05/98/471670598.db2.gz MULTXQPLMSATBB-MRXNPFEDSA-N 2 2 345.491 2.488 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000667150346 471672798 /nfs/dbraw/zinc/67/27/98/471672798.db2.gz KYXMKAKLORJVTE-KRWDZBQOSA-N 2 2 348.491 2.196 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000667150346 471672800 /nfs/dbraw/zinc/67/28/00/471672800.db2.gz KYXMKAKLORJVTE-KRWDZBQOSA-N 2 2 348.491 2.196 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CCO[C@H]3CC3(F)F)c2cc1C ZINC000656708365 471814984 /nfs/dbraw/zinc/81/49/84/471814984.db2.gz MNBYZDATPNUGIE-CJNGLKHVSA-N 2 2 339.386 2.028 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000661690197 471853801 /nfs/dbraw/zinc/85/38/01/471853801.db2.gz OKHKAQLZJLWIHB-DLBZAZTESA-N 2 2 348.466 2.190 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@H](CCF)C1 ZINC000661690197 471853803 /nfs/dbraw/zinc/85/38/03/471853803.db2.gz OKHKAQLZJLWIHB-DLBZAZTESA-N 2 2 348.466 2.190 10 0 EEAELP O[C@@H](C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000667679926 471864331 /nfs/dbraw/zinc/86/43/31/471864331.db2.gz RYHWKLKKMIFOLY-HNNXBMFYSA-N 2 2 340.349 2.403 10 0 EEAELP COc1ccc(C(=O)CC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662321780 472069796 /nfs/dbraw/zinc/06/97/96/472069796.db2.gz DJOMPTCSXDCDMG-GOSISDBHSA-N 2 2 334.460 2.311 10 0 EEAELP COc1ccc(C(=O)CC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662321780 472069803 /nfs/dbraw/zinc/06/98/03/472069803.db2.gz DJOMPTCSXDCDMG-GOSISDBHSA-N 2 2 334.460 2.311 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000668780841 472264027 /nfs/dbraw/zinc/26/40/27/472264027.db2.gz BIYOJNBUKLWSRB-UHFFFAOYSA-N 2 2 347.422 2.233 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000668780841 472264035 /nfs/dbraw/zinc/26/40/35/472264035.db2.gz BIYOJNBUKLWSRB-UHFFFAOYSA-N 2 2 347.422 2.233 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629545553 485731841 /nfs/dbraw/zinc/73/18/41/485731841.db2.gz MBKPLTZBQVAETK-NTZNESFSSA-N 2 2 325.840 2.406 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NCCCSc1ccccc1)C2 ZINC000629596681 485738046 /nfs/dbraw/zinc/73/80/46/485738046.db2.gz UEHBGGXBBGMXOZ-KDURUIRLSA-N 2 2 347.528 2.216 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NCCCSc1ccccc1)C2 ZINC000629596681 485738054 /nfs/dbraw/zinc/73/80/54/485738054.db2.gz UEHBGGXBBGMXOZ-KDURUIRLSA-N 2 2 347.528 2.216 10 0 EEAELP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(OC)c1 ZINC000675885820 486089394 /nfs/dbraw/zinc/08/93/94/486089394.db2.gz HQUNQXWFPARRGZ-UYAOXDASSA-N 2 2 347.503 2.142 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676129005 486151931 /nfs/dbraw/zinc/15/19/31/486151931.db2.gz GVUJMWPREJVZEH-UHFFFAOYSA-N 2 2 325.376 2.018 10 0 EEAELP CN(C(=O)N[C@H]1CC2CCC1CC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217735 486175054 /nfs/dbraw/zinc/17/50/54/486175054.db2.gz VNDNJZHJCWEPPN-VHZYLWGESA-N 2 2 348.535 2.375 10 0 EEAELP CN(C(=O)N[C@H]1CC2CCC1CC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217735 486175059 /nfs/dbraw/zinc/17/50/59/486175059.db2.gz VNDNJZHJCWEPPN-VHZYLWGESA-N 2 2 348.535 2.375 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000438845306 535776973 /nfs/dbraw/zinc/77/69/73/535776973.db2.gz YEGLSXNVSFWLIT-INIZCTEOSA-N 2 2 337.537 2.398 10 0 EEAELP COc1ccc([C@@H]([NH2+]CC2CCN(C(C)=O)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422732641 536890163 /nfs/dbraw/zinc/89/01/63/536890163.db2.gz AEFOCNCJJZNZPF-WOJBJXKFSA-N 2 2 345.487 2.336 10 0 EEAELP C[NH+](C)[C@H]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)[nH+]c2)C1 ZINC000774300136 577394281 /nfs/dbraw/zinc/39/42/81/577394281.db2.gz AJGVYHSIHCOSJW-MMNRESRNSA-N 3 2 329.492 2.259 10 0 EEAELP C[NH+](C)[C@H]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)[nH+]c2)C1 ZINC000774300136 577394282 /nfs/dbraw/zinc/39/42/82/577394282.db2.gz AJGVYHSIHCOSJW-MMNRESRNSA-N 3 2 329.492 2.259 10 0 EEAELP Cc1ccc([C@@H](C)C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000756124204 577838847 /nfs/dbraw/zinc/83/88/47/577838847.db2.gz KLOQMXNIIADXOV-HRBLRVMOSA-N 2 2 345.487 2.461 10 0 EEAELP Cc1ccc([C@@H](C)C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000756124204 577838848 /nfs/dbraw/zinc/83/88/48/577838848.db2.gz KLOQMXNIIADXOV-HRBLRVMOSA-N 2 2 345.487 2.461 10 0 EEAELP CC[NH+](CC)CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000746584135 577930390 /nfs/dbraw/zinc/93/03/90/577930390.db2.gz RITPTVROVURPIF-UHFFFAOYSA-N 2 2 329.448 2.067 10 0 EEAELP O=S(=O)(CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925563540 684472828 /nfs/dbraw/zinc/47/28/28/684472828.db2.gz CXXCRXZGVQJCTL-QZTJIDSGSA-N 2 2 336.501 2.218 10 0 EEAELP CCOC(=O)c1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[nH]1 ZINC000895557713 684641827 /nfs/dbraw/zinc/64/18/27/684641827.db2.gz QPLWWBFOQPIJKX-AWEZNQCLSA-N 2 2 328.416 2.297 10 0 EEAELP CCOC(=O)c1ccc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[nH]1 ZINC000895557713 684641829 /nfs/dbraw/zinc/64/18/29/684641829.db2.gz QPLWWBFOQPIJKX-AWEZNQCLSA-N 2 2 328.416 2.297 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)co1 ZINC001485583364 1191849417 /nfs/dbraw/zinc/84/94/17/1191849417.db2.gz AHPPEUOKVZISJC-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1nc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)co1 ZINC001485583364 1191849418 /nfs/dbraw/zinc/84/94/18/1191849418.db2.gz AHPPEUOKVZISJC-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001266320969 1176256364 /nfs/dbraw/zinc/25/63/64/1176256364.db2.gz JPQVICZXWZVBJF-OAHLLOKOSA-N 2 2 336.455 2.092 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001266320969 1176256392 /nfs/dbraw/zinc/25/63/92/1176256392.db2.gz JPQVICZXWZVBJF-OAHLLOKOSA-N 2 2 336.455 2.092 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001671359682 1177059424 /nfs/dbraw/zinc/05/94/24/1177059424.db2.gz MSDZOLQAMGDFAY-LBPRGKRZSA-N 2 2 332.370 2.265 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[NH2+]Cc1nc(C)oc1C ZINC001266704285 1177231066 /nfs/dbraw/zinc/23/10/66/1177231066.db2.gz ZDUQLKGSJDSWCH-ZDUSSCGKSA-N 2 2 347.463 2.250 10 0 EEAELP O=C(NC[C@@H]1CC[N@@H+](CCCCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001691149675 1177641832 /nfs/dbraw/zinc/64/18/32/1177641832.db2.gz ZYEYTKWHJGFFNN-HOTGVXAUSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(NC[C@@H]1CC[N@H+](CCCCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001691149675 1177641838 /nfs/dbraw/zinc/64/18/38/1177641838.db2.gz ZYEYTKWHJGFFNN-HOTGVXAUSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCc1ccsc1 ZINC001266948817 1177875670 /nfs/dbraw/zinc/87/56/70/1177875670.db2.gz LQWUDEBIZGXBSR-HOCLYGCPSA-N 2 2 346.500 2.234 10 0 EEAELP Cc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001691366479 1177971668 /nfs/dbraw/zinc/97/16/68/1177971668.db2.gz PARAWBUGWKIARN-QGZVFWFLSA-N 2 2 326.444 2.002 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H]2CN(C)C(=O)CCCC[NH+](C)C)cn1 ZINC001691409863 1178016952 /nfs/dbraw/zinc/01/69/52/1178016952.db2.gz IWTJIVFWOQZJHK-DLBZAZTESA-N 2 2 347.507 2.111 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CC[C@@H]2CN(C)C(=O)CCCC[NH+](C)C)cn1 ZINC001691409863 1178016958 /nfs/dbraw/zinc/01/69/58/1178016958.db2.gz IWTJIVFWOQZJHK-DLBZAZTESA-N 2 2 347.507 2.111 10 0 EEAELP CCCc1nc(C)c(C[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)o1 ZINC001266988729 1178042686 /nfs/dbraw/zinc/04/26/86/1178042686.db2.gz OGKJDOMJEVKVLU-UHFFFAOYSA-N 2 2 347.463 2.184 10 0 EEAELP Cc1ccccc1C[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267396365 1178966388 /nfs/dbraw/zinc/96/63/88/1178966388.db2.gz TUGHTJKOIGWZGP-KRWDZBQOSA-N 2 2 326.444 2.002 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C)on1)[NH+](CC)CC ZINC001481056015 1179642567 /nfs/dbraw/zinc/64/25/67/1179642567.db2.gz DXXXYGICQBQKBY-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C)on1)[NH+](CC)CC ZINC001481056015 1179642572 /nfs/dbraw/zinc/64/25/72/1179642572.db2.gz DXXXYGICQBQKBY-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268070657 1181668830 /nfs/dbraw/zinc/66/88/30/1181668830.db2.gz JIHJTLWVJXLEHF-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(Cl)n2)C1 ZINC001268112333 1181756227 /nfs/dbraw/zinc/75/62/27/1181756227.db2.gz OFBKBWQVIWAJQY-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cccc(Cl)n2)C1 ZINC001268112333 1181756233 /nfs/dbraw/zinc/75/62/33/1181756233.db2.gz OFBKBWQVIWAJQY-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001268112333 1181756239 /nfs/dbraw/zinc/75/62/39/1181756239.db2.gz OFBKBWQVIWAJQY-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001268112333 1181756247 /nfs/dbraw/zinc/75/62/47/1181756247.db2.gz OFBKBWQVIWAJQY-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP COCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001268129769 1181781020 /nfs/dbraw/zinc/78/10/20/1181781020.db2.gz GKJWBZXJOVCCMG-WMLDXEAASA-N 2 2 333.476 2.484 10 0 EEAELP COCCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001268129767 1181781092 /nfs/dbraw/zinc/78/10/92/1181781092.db2.gz GKJWBZXJOVCCMG-PBHICJAKSA-N 2 2 333.476 2.484 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]CCc1ccccc1 ZINC001268164967 1181891367 /nfs/dbraw/zinc/89/13/67/1181891367.db2.gz CLRGJIPUHQMIFA-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001268224585 1182035908 /nfs/dbraw/zinc/03/59/08/1182035908.db2.gz MHQOREMXWCRIND-HDNKPZPWSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001268224585 1182035912 /nfs/dbraw/zinc/03/59/12/1182035912.db2.gz MHQOREMXWCRIND-HDNKPZPWSA-N 2 2 330.476 2.461 10 0 EEAELP Cc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268403923 1182510705 /nfs/dbraw/zinc/51/07/05/1182510705.db2.gz DZXDDFJOLJHMBX-QWHCGFSZSA-N 2 2 333.436 2.124 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001268420091 1182585232 /nfs/dbraw/zinc/58/52/32/1182585232.db2.gz FAELXPYCDOAQNG-MRXNPFEDSA-N 2 2 328.460 2.346 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nc2c(o1)CCCC2 ZINC001481824976 1182753650 /nfs/dbraw/zinc/75/36/50/1182753650.db2.gz ZYEIHOVONRPHTB-GDBMZVCRSA-N 2 2 348.491 2.022 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1nc2c(o1)CCCC2 ZINC001481824976 1182753657 /nfs/dbraw/zinc/75/36/57/1182753657.db2.gz ZYEIHOVONRPHTB-GDBMZVCRSA-N 2 2 348.491 2.022 10 0 EEAELP Cc1ncc(C[NH2+]CC2(NC(=O)CCn3cc[nH+]c3)CCCC2)s1 ZINC001481902698 1182915544 /nfs/dbraw/zinc/91/55/44/1182915544.db2.gz VBNRLFJOBWPPLI-UHFFFAOYSA-N 2 2 347.488 2.257 10 0 EEAELP C[C@H](CC(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1)n1cc[nH+]c1 ZINC001481943325 1183005399 /nfs/dbraw/zinc/00/53/99/1183005399.db2.gz FDKPEQVQQNLYNC-DNVCBOLYSA-N 2 2 341.459 2.304 10 0 EEAELP C[C@@H]1CC[C@H](C[NH2+]CCC2CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC001482004093 1183121087 /nfs/dbraw/zinc/12/10/87/1183121087.db2.gz RLMOJWZACLJTJC-SJLPKXTDSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC001268577659 1183330631 /nfs/dbraw/zinc/33/06/31/1183330631.db2.gz SXGBPVYDHVBKSO-FAAWYNLUSA-N 2 2 330.407 2.436 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CC1CC2(CCC2)C1 ZINC001482119711 1183356636 /nfs/dbraw/zinc/35/66/36/1183356636.db2.gz ZQEMXOYXJUOGSF-NVXWUHKLSA-N 2 2 344.503 2.368 10 0 EEAELP CN(CCC[NH2+]CCC1CCOCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268803022 1183721104 /nfs/dbraw/zinc/72/11/04/1183721104.db2.gz VKYXISFJLIXQRU-UHFFFAOYSA-N 2 2 344.459 2.431 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268804189 1183722085 /nfs/dbraw/zinc/72/20/85/1183722085.db2.gz ZEVTWMAPPQOURD-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268970038 1183863645 /nfs/dbraw/zinc/86/36/45/1183863645.db2.gz UNILYLULXPOVEU-RAQCYDAQSA-N 2 2 328.460 2.165 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268970038 1183863650 /nfs/dbraw/zinc/86/36/50/1183863650.db2.gz UNILYLULXPOVEU-RAQCYDAQSA-N 2 2 328.460 2.165 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001269033730 1183908366 /nfs/dbraw/zinc/90/83/66/1183908366.db2.gz IFMSDZIJKKPDKV-KRWDZBQOSA-N 2 2 337.427 2.214 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001269033730 1183908370 /nfs/dbraw/zinc/90/83/70/1183908370.db2.gz IFMSDZIJKKPDKV-KRWDZBQOSA-N 2 2 337.427 2.214 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001269033730 1183908371 /nfs/dbraw/zinc/90/83/71/1183908371.db2.gz IFMSDZIJKKPDKV-KRWDZBQOSA-N 2 2 337.427 2.214 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001269033730 1183908373 /nfs/dbraw/zinc/90/83/73/1183908373.db2.gz IFMSDZIJKKPDKV-KRWDZBQOSA-N 2 2 337.427 2.214 10 0 EEAELP O=C(NC1(C[NH2+]CCC2CC2)CCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001269558883 1184388617 /nfs/dbraw/zinc/38/86/17/1184388617.db2.gz KDJAMNJYJCMJMZ-MRXNPFEDSA-N 2 2 330.476 2.264 10 0 EEAELP COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001270973668 1185781906 /nfs/dbraw/zinc/78/19/06/1185781906.db2.gz DYOGKQVUVRZFSS-IBGZPJMESA-N 2 2 344.459 2.203 10 0 EEAELP COCCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001270973668 1185781912 /nfs/dbraw/zinc/78/19/12/1185781912.db2.gz DYOGKQVUVRZFSS-IBGZPJMESA-N 2 2 344.459 2.203 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001271113373 1185903015 /nfs/dbraw/zinc/90/30/15/1185903015.db2.gz ONGSKDIKSIOIEM-DJIMGWMZSA-N 2 2 330.476 2.461 10 0 EEAELP CC(C)C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001271278490 1186117935 /nfs/dbraw/zinc/11/79/35/1186117935.db2.gz NJHMFBUFEGMHNF-SJORKVTESA-N 2 2 332.492 2.366 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001271552668 1186306042 /nfs/dbraw/zinc/30/60/42/1186306042.db2.gz SYFXYYFGHBSYQK-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]Cc1cscn1 ZINC001271558433 1186308849 /nfs/dbraw/zinc/30/88/49/1186308849.db2.gz NAMPXCSNSDEJMH-MRXNPFEDSA-N 2 2 347.488 2.291 10 0 EEAELP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482846152 1187765280 /nfs/dbraw/zinc/76/52/80/1187765280.db2.gz ROLZQBJVBAYTMJ-GOEBONIOSA-N 2 2 332.492 2.366 10 0 EEAELP CCOC1CC(C[NH2+]CC[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001482854707 1187776990 /nfs/dbraw/zinc/77/69/90/1187776990.db2.gz NXPPRFGZDITJMM-QQFBHYJXSA-N 2 2 344.459 2.247 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001482970304 1187910745 /nfs/dbraw/zinc/91/07/45/1187910745.db2.gz SFVYSDHCORHKHB-MRXNPFEDSA-N 2 2 348.491 2.365 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001482970304 1187910746 /nfs/dbraw/zinc/91/07/46/1187910746.db2.gz SFVYSDHCORHKHB-MRXNPFEDSA-N 2 2 348.491 2.365 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+]Cc1cccc2cccnc21 ZINC001483017561 1188004466 /nfs/dbraw/zinc/00/44/66/1188004466.db2.gz OXXQKPOHVKFUQM-UPHRSURJSA-N 2 2 349.438 2.353 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C\C[NH2+]Cc1cccc2cccnc21 ZINC001483017561 1188004468 /nfs/dbraw/zinc/00/44/68/1188004468.db2.gz OXXQKPOHVKFUQM-UPHRSURJSA-N 2 2 349.438 2.353 10 0 EEAELP Nc1ccc(Cn2cc(C[NH2+][C@@H]3CCCc4ccccc43)nn2)c[nH+]1 ZINC000905817290 1189932048 /nfs/dbraw/zinc/93/20/48/1189932048.db2.gz ORNBBRIFFLRDEA-GOSISDBHSA-N 2 2 334.427 2.471 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccns1 ZINC001409565942 1190042566 /nfs/dbraw/zinc/04/25/66/1190042566.db2.gz FEZIGVDQZGUAKT-UONOGXRCSA-N 2 2 349.504 2.490 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC001409565942 1190042571 /nfs/dbraw/zinc/04/25/71/1190042571.db2.gz FEZIGVDQZGUAKT-UONOGXRCSA-N 2 2 349.504 2.490 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]C[C@H]2CCCOC2)CCCCC1 ZINC001409767067 1190258734 /nfs/dbraw/zinc/25/87/34/1190258734.db2.gz YTNIQXQUFZSQMX-QGZVFWFLSA-N 2 2 348.491 2.109 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1nc(C)oc1C ZINC001483346794 1190382065 /nfs/dbraw/zinc/38/20/65/1190382065.db2.gz XHWBTZJVNIHQIF-GUYCJALGSA-N 2 2 336.480 2.102 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1nc(C)oc1C ZINC001483346794 1190382071 /nfs/dbraw/zinc/38/20/71/1190382071.db2.gz XHWBTZJVNIHQIF-GUYCJALGSA-N 2 2 336.480 2.102 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1nc(C)oc1C ZINC001483346794 1190382075 /nfs/dbraw/zinc/38/20/75/1190382075.db2.gz XHWBTZJVNIHQIF-GUYCJALGSA-N 2 2 336.480 2.102 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(C)oc1C ZINC001483346794 1190382079 /nfs/dbraw/zinc/38/20/79/1190382079.db2.gz XHWBTZJVNIHQIF-GUYCJALGSA-N 2 2 336.480 2.102 10 0 EEAELP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483474612 1190496777 /nfs/dbraw/zinc/49/67/77/1190496777.db2.gz MIIARLFTBYPDMD-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CN(CCC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483476692 1190498260 /nfs/dbraw/zinc/49/82/60/1190498260.db2.gz GZZHDZFKCMBQGO-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)C1CC1 ZINC001483597128 1190581686 /nfs/dbraw/zinc/58/16/86/1190581686.db2.gz VRJLCEVCCBMHCP-KBPBESRZSA-N 2 2 340.418 2.262 10 0 EEAELP C[C@H](F)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001409826857 1190659213 /nfs/dbraw/zinc/65/92/13/1190659213.db2.gz LZXKGTGCPWVCIS-HOTGVXAUSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@H](F)CC[N@H+]1CCCCC[C@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001409826857 1190659215 /nfs/dbraw/zinc/65/92/15/1190659215.db2.gz LZXKGTGCPWVCIS-HOTGVXAUSA-N 2 2 338.471 2.462 10 0 EEAELP O=C(NC[C@H](O)C[NH2+]CCC1=CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001272453050 1190828778 /nfs/dbraw/zinc/82/87/78/1190828778.db2.gz KGKRFBHLRDRUKB-MRXNPFEDSA-N 2 2 342.443 2.134 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483811268 1191056346 /nfs/dbraw/zinc/05/63/46/1191056346.db2.gz YXDSLHQCPJEGMF-KSZLIROESA-N 2 2 348.491 2.326 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483811268 1191056350 /nfs/dbraw/zinc/05/63/50/1191056350.db2.gz YXDSLHQCPJEGMF-KSZLIROESA-N 2 2 348.491 2.326 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C1C[NH+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001483888644 1191110063 /nfs/dbraw/zinc/11/00/63/1191110063.db2.gz DGAODOFBHMFTOR-LJQANCHMSA-N 2 2 347.503 2.184 10 0 EEAELP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001483892578 1191112018 /nfs/dbraw/zinc/11/20/18/1191112018.db2.gz NBRAHCWCLLLKSG-RBUKOAKNSA-N 2 2 345.487 2.001 10 0 EEAELP O=C(c1cccc2[nH+]ccn21)N1CCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001483939516 1191124452 /nfs/dbraw/zinc/12/44/52/1191124452.db2.gz MFKIQKYCLQYJPH-OAHLLOKOSA-N 2 2 342.443 2.098 10 0 EEAELP C[C@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484120816 1191220889 /nfs/dbraw/zinc/22/08/89/1191220889.db2.gz XGNVVAUQLKKFPZ-LJQANCHMSA-N 2 2 326.444 2.023 10 0 EEAELP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]Cc2nccs2)C1)c1c[nH+]c[nH]1 ZINC001484121994 1191221611 /nfs/dbraw/zinc/22/16/11/1191221611.db2.gz NMSORBBVJBPXJD-QGZVFWFLSA-N 2 2 347.488 2.172 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3C[C@@H](C)[C@@H](C[NH2+]CCCF)C3)ccn12 ZINC001484367552 1191320340 /nfs/dbraw/zinc/32/03/40/1191320340.db2.gz GHQXAJOYYJEUSB-CJNGLKHVSA-N 2 2 332.423 2.300 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001484467192 1191371590 /nfs/dbraw/zinc/37/15/90/1191371590.db2.gz CVEFKBGCAOYNOX-QZTJIDSGSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001484467192 1191371592 /nfs/dbraw/zinc/37/15/92/1191371592.db2.gz CVEFKBGCAOYNOX-QZTJIDSGSA-N 2 2 348.491 2.011 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N(CCO)CC[NH2+]CC1CCCCC1 ZINC001484487434 1191382858 /nfs/dbraw/zinc/38/28/58/1191382858.db2.gz KQDAKGFKJAWIIA-UHFFFAOYSA-N 2 2 344.459 2.167 10 0 EEAELP CCCCOCC[NH+]1CCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001484581078 1191425910 /nfs/dbraw/zinc/42/59/10/1191425910.db2.gz CVXMCWLLBGINDC-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP CC/C=C\CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001484595275 1191436304 /nfs/dbraw/zinc/43/63/04/1191436304.db2.gz HPDQMOIYKRCLQW-VMLVWOMUSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001484595275 1191436305 /nfs/dbraw/zinc/43/63/05/1191436305.db2.gz HPDQMOIYKRCLQW-VMLVWOMUSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001484595275 1191436307 /nfs/dbraw/zinc/43/63/07/1191436307.db2.gz HPDQMOIYKRCLQW-VMLVWOMUSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001484595275 1191436309 /nfs/dbraw/zinc/43/63/09/1191436309.db2.gz HPDQMOIYKRCLQW-VMLVWOMUSA-N 2 2 337.508 2.034 10 0 EEAELP CCC1([NH2+]CC[C@H]2CCCCO2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001484817151 1191538394 /nfs/dbraw/zinc/53/83/94/1191538394.db2.gz XYKCQQDIQLSQJY-QGZVFWFLSA-N 2 2 348.491 2.272 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCC(O)(C[NH2+]CCC3CC3)CC2)c(C)[nH+]1 ZINC001484956573 1191592034 /nfs/dbraw/zinc/59/20/34/1191592034.db2.gz ODBRXXUDBOIBKG-UHFFFAOYSA-N 2 2 345.487 2.364 10 0 EEAELP Cc1ncsc1C[NH2+]CC1CC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001485104238 1191653793 /nfs/dbraw/zinc/65/37/93/1191653793.db2.gz YMRAJSPXTBPGGO-LMWSTFAQSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1ncsc1C[NH2+]CC1CC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001485104238 1191653795 /nfs/dbraw/zinc/65/37/95/1191653795.db2.gz YMRAJSPXTBPGGO-LMWSTFAQSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001485154340 1191667759 /nfs/dbraw/zinc/66/77/59/1191667759.db2.gz DBSKMVHULDALDY-UONOGXRCSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001485154340 1191667760 /nfs/dbraw/zinc/66/77/60/1191667760.db2.gz DBSKMVHULDALDY-UONOGXRCSA-N 2 2 332.423 2.473 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001485176613 1191677536 /nfs/dbraw/zinc/67/75/36/1191677536.db2.gz KLYXPYPWVHSCAZ-HOTGVXAUSA-N 2 2 344.459 2.273 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC001485199297 1191682909 /nfs/dbraw/zinc/68/29/09/1191682909.db2.gz DFYKWLUDYCMYCY-GHMZBOCLSA-N 2 2 338.814 2.428 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C(C)C)n1 ZINC001485299427 1191725310 /nfs/dbraw/zinc/72/53/10/1191725310.db2.gz KARQPXVOAVSEKA-AEFFLSMTSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C(C)C)n1 ZINC001485299427 1191725313 /nfs/dbraw/zinc/72/53/13/1191725313.db2.gz KARQPXVOAVSEKA-AEFFLSMTSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001485299427 1191725315 /nfs/dbraw/zinc/72/53/15/1191725315.db2.gz KARQPXVOAVSEKA-AEFFLSMTSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC001485299427 1191725317 /nfs/dbraw/zinc/72/53/17/1191725317.db2.gz KARQPXVOAVSEKA-AEFFLSMTSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001485513826 1191816284 /nfs/dbraw/zinc/81/62/84/1191816284.db2.gz RLNASFWOPMTQDC-CVEARBPZSA-N 2 2 332.492 2.318 10 0 EEAELP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC001486151543 1193701952 /nfs/dbraw/zinc/70/19/52/1193701952.db2.gz WKIAYQLZXGSOGB-LPHOPBHVSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC001486151543 1193701953 /nfs/dbraw/zinc/70/19/53/1193701953.db2.gz WKIAYQLZXGSOGB-LPHOPBHVSA-N 2 2 346.475 2.117 10 0 EEAELP CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486371224 1193876077 /nfs/dbraw/zinc/87/60/77/1193876077.db2.gz MFYMOXBHLRHDQD-KRWDZBQOSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001486371224 1193876079 /nfs/dbraw/zinc/87/60/79/1193876079.db2.gz MFYMOXBHLRHDQD-KRWDZBQOSA-N 2 2 332.492 2.414 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001273010097 1194317283 /nfs/dbraw/zinc/31/72/83/1194317283.db2.gz BBTCHWARRAZMJB-OAHLLOKOSA-N 2 2 346.500 2.238 10 0 EEAELP CC[C@@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000871360897 1197700750 /nfs/dbraw/zinc/70/07/50/1197700750.db2.gz MUUFCMVJMGISQT-VIHIWDAPSA-N 2 2 339.524 2.255 10 0 EEAELP CC[C@@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000871360897 1197700757 /nfs/dbraw/zinc/70/07/57/1197700757.db2.gz MUUFCMVJMGISQT-VIHIWDAPSA-N 2 2 339.524 2.255 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001273275394 1197944479 /nfs/dbraw/zinc/94/44/79/1197944479.db2.gz CDJQDNXXUBTBLI-MJSXRHKHSA-N 2 2 342.443 2.350 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000872072557 1198040862 /nfs/dbraw/zinc/04/08/62/1198040862.db2.gz IDBSNYDTXAJXOW-XUVXKRRUSA-N 2 2 332.488 2.200 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000872072557 1198040870 /nfs/dbraw/zinc/04/08/70/1198040870.db2.gz IDBSNYDTXAJXOW-XUVXKRRUSA-N 2 2 332.488 2.200 10 0 EEAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCNC2=O)cc1 ZINC000810253665 1199404579 /nfs/dbraw/zinc/40/45/79/1199404579.db2.gz ZQURHQOZZQEEIZ-OCCSQVGLSA-N 2 2 325.416 2.147 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cccc(CC[NH+](C)C)c2)C1 ZINC001411995624 1205619055 /nfs/dbraw/zinc/61/90/55/1205619055.db2.gz YVOANWDOZVZKNP-QGZVFWFLSA-N 2 2 326.444 2.154 10 0 EEAELP COc1ccc([C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)N(C)C)cc1OC ZINC000925623797 1206137072 /nfs/dbraw/zinc/13/70/72/1206137072.db2.gz XBAQQYAUVHKEFR-BMGDILEWSA-N 2 2 333.476 2.166 10 0 EEAELP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925662783 1206140941 /nfs/dbraw/zinc/14/09/41/1206140941.db2.gz LJJGIMVFGWRPMW-AYOQOUSVSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925662783 1206140942 /nfs/dbraw/zinc/14/09/42/1206140942.db2.gz LJJGIMVFGWRPMW-AYOQOUSVSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000925792203 1206154681 /nfs/dbraw/zinc/15/46/81/1206154681.db2.gz DXJZXPIECTWWDI-YOEHRIQHSA-N 2 2 343.471 2.381 10 0 EEAELP [NH3+][C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[C@H]1C(F)(F)F ZINC000926043263 1206185251 /nfs/dbraw/zinc/18/52/51/1206185251.db2.gz UMGZBGNLEHMIMV-GHMZBOCLSA-N 2 2 327.310 2.078 10 0 EEAELP CC1(c2cc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)no2)CCCC1 ZINC000926106248 1206192824 /nfs/dbraw/zinc/19/28/24/1206192824.db2.gz XDZUXGBDLFIPBM-UHFFFAOYSA-N 2 2 335.452 2.051 10 0 EEAELP CCSc1cccc(F)c1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926130347 1206196377 /nfs/dbraw/zinc/19/63/77/1206196377.db2.gz OATGMVBCOOUDSS-UHFFFAOYSA-N 2 2 340.468 2.482 10 0 EEAELP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)C1 ZINC000929982337 1206525031 /nfs/dbraw/zinc/52/50/31/1206525031.db2.gz SLYBGKXANICIMB-JYJNAYRXSA-N 2 2 349.441 2.198 10 0 EEAELP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)C1 ZINC000929982337 1206525033 /nfs/dbraw/zinc/52/50/33/1206525033.db2.gz SLYBGKXANICIMB-JYJNAYRXSA-N 2 2 349.441 2.198 10 0 EEAELP C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931216623 1206616578 /nfs/dbraw/zinc/61/65/78/1206616578.db2.gz ICIOOLBPNWSUSL-YKTARERQSA-N 2 2 333.520 2.343 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000305630909 1216817636 /nfs/dbraw/zinc/81/76/36/1216817636.db2.gz MMGHFRQPPKZCOD-IRXDYDNUSA-N 2 2 333.432 2.389 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000305630909 1216817641 /nfs/dbraw/zinc/81/76/41/1216817641.db2.gz MMGHFRQPPKZCOD-IRXDYDNUSA-N 2 2 333.432 2.389 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001273458396 1278449269 /nfs/dbraw/zinc/44/92/69/1278449269.db2.gz VHPZMWISPAUSEN-SJORKVTESA-N 2 2 336.480 2.232 10 0 EEAELP CCOCCC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001273458396 1278449272 /nfs/dbraw/zinc/44/92/72/1278449272.db2.gz VHPZMWISPAUSEN-SJORKVTESA-N 2 2 336.480 2.232 10 0 EEAELP CCN(CC[NH2+]Cc1cccnc1C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001273628538 1281719544 /nfs/dbraw/zinc/71/95/44/1281719544.db2.gz KMWBMRUCMXPQSU-HNNXBMFYSA-N 2 2 329.448 2.176 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]([NH2+]CCC[C@H](C)O)C2)c(C)[nH+]1 ZINC001488842080 1290261546 /nfs/dbraw/zinc/26/15/46/1290261546.db2.gz RRCSGPSKSQEPAL-XIRDDKMYSA-N 2 2 333.476 2.266 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCC(F)(F)F ZINC001490335054 1291227236 /nfs/dbraw/zinc/22/72/36/1291227236.db2.gz LOEQACCTIBDWIO-ZDUSSCGKSA-N 2 2 346.397 2.226 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCC(F)(F)F ZINC001490335054 1291227247 /nfs/dbraw/zinc/22/72/47/1291227247.db2.gz LOEQACCTIBDWIO-ZDUSSCGKSA-N 2 2 346.397 2.226 10 0 EEAELP O=C(NCCC[N@H+](CCC1CC1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490378230 1291263292 /nfs/dbraw/zinc/26/32/92/1291263292.db2.gz WZOKHLNWRQAICM-MRXNPFEDSA-N 2 2 330.476 2.216 10 0 EEAELP O=C(NCCC[N@@H+](CCC1CC1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490378230 1291263300 /nfs/dbraw/zinc/26/33/00/1291263300.db2.gz WZOKHLNWRQAICM-MRXNPFEDSA-N 2 2 330.476 2.216 10 0 EEAELP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001490793912 1291738100 /nfs/dbraw/zinc/73/81/00/1291738100.db2.gz QKQJVYYVQKFXHS-IYBDPMFKSA-N 2 2 348.491 2.461 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C[NH+](C)C)on1 ZINC001490793912 1291738108 /nfs/dbraw/zinc/73/81/08/1291738108.db2.gz QKQJVYYVQKFXHS-IYBDPMFKSA-N 2 2 348.491 2.461 10 0 EEAELP Cc1cc(C)cc([C@H](O)C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000852123191 1291999466 /nfs/dbraw/zinc/99/94/66/1291999466.db2.gz SCGSEJNNJIERBQ-LJQANCHMSA-N 2 2 334.504 2.409 10 0 EEAELP Cc1[nH+]ccn1CCC[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854081026 1292614492 /nfs/dbraw/zinc/61/44/92/1292614492.db2.gz JNJOXBRDBBDZLU-UHFFFAOYSA-N 2 2 338.415 2.300 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000862452132 1295849117 /nfs/dbraw/zinc/84/91/17/1295849117.db2.gz JLZNFKBDPPCTQQ-RDJZCZTQSA-N 2 2 325.497 2.419 10 0 EEAELP COCCCCC[N@@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001276886049 1300111204 /nfs/dbraw/zinc/11/12/04/1300111204.db2.gz FTLMLOCAKGFLKP-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP COCCCCC[N@H+]1CCCC2(CN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001276886049 1300111205 /nfs/dbraw/zinc/11/12/05/1300111205.db2.gz FTLMLOCAKGFLKP-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@H]2CNC(=O)CCCC[NH+]2CCCC2)o1 ZINC001276986733 1300679426 /nfs/dbraw/zinc/67/94/26/1300679426.db2.gz ZJRVKKPXBHXAEV-KRWDZBQOSA-N 2 2 348.491 2.248 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@H]2CNC(=O)CCCC[NH+]2CCCC2)o1 ZINC001276986733 1300679437 /nfs/dbraw/zinc/67/94/37/1300679437.db2.gz ZJRVKKPXBHXAEV-KRWDZBQOSA-N 2 2 348.491 2.248 10 0 EEAELP Cc1[nH+]ccn1CCC[N@@H+](C)CN1CC[C@@H](c2ccccc2)C1=O ZINC001116489463 1305890081 /nfs/dbraw/zinc/89/00/81/1305890081.db2.gz NVZCIEJQSRGYIB-SFHVURJKSA-N 2 2 326.444 2.487 10 0 EEAELP Cc1[nH+]ccn1CCC[N@H+](C)CN1CC[C@@H](c2ccccc2)C1=O ZINC001116489463 1305890096 /nfs/dbraw/zinc/89/00/96/1305890096.db2.gz NVZCIEJQSRGYIB-SFHVURJKSA-N 2 2 326.444 2.487 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(F)c3N)CC2)CC1 ZINC001162190785 1320778873 /nfs/dbraw/zinc/77/88/73/1320778873.db2.gz GVFCABCNPQZBPP-UHFFFAOYSA-N 2 2 348.466 2.040 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(F)c3N)CC2)CC1 ZINC001162190785 1320778883 /nfs/dbraw/zinc/77/88/83/1320778883.db2.gz GVFCABCNPQZBPP-UHFFFAOYSA-N 2 2 348.466 2.040 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001263958410 1322570489 /nfs/dbraw/zinc/57/04/89/1322570489.db2.gz NFCKMCINCXWSBC-NVXWUHKLSA-N 2 2 341.459 2.154 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCCC1(F)F ZINC001265051089 1322891957 /nfs/dbraw/zinc/89/19/57/1322891957.db2.gz YHOJSOWUFUFHET-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC[C@@H]1CCCC1(F)F ZINC001265051089 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QQVRPJIUTOEWBR-HOCLYGCPSA-N 2 2 347.488 2.147 10 0 EEAELP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)Cc1cc(F)ccc1F ZINC001316840308 1331927294 /nfs/dbraw/zinc/92/72/94/1331927294.db2.gz ZYXNSYILYALIDA-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)Cc1cc(F)ccc1F ZINC001316840308 1331927295 /nfs/dbraw/zinc/92/72/95/1331927295.db2.gz ZYXNSYILYALIDA-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP O=C(N[C@@H]1CC[N@H+](CCOCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001316983157 1332029036 /nfs/dbraw/zinc/02/90/36/1332029036.db2.gz TVWNVISIIUHKAW-MRXNPFEDSA-N 2 2 342.443 2.184 10 0 EEAELP O=C(N[C@@H]1CC[N@@H+](CCOCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001316983157 1332029039 /nfs/dbraw/zinc/02/90/39/1332029039.db2.gz TVWNVISIIUHKAW-MRXNPFEDSA-N 2 2 342.443 2.184 10 0 EEAELP CC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001317005620 1332041198 /nfs/dbraw/zinc/04/11/98/1332041198.db2.gz HFBPHFJSNBEWGW-VGOKWCNXSA-N 2 2 330.476 2.290 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001317110435 1332083755 /nfs/dbraw/zinc/08/37/55/1332083755.db2.gz ZDXSRDMJXKLSBP-JKIFEVAISA-N 2 2 333.480 2.217 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001317110435 1332083756 /nfs/dbraw/zinc/08/37/56/1332083756.db2.gz ZDXSRDMJXKLSBP-JKIFEVAISA-N 2 2 333.480 2.217 10 0 EEAELP COCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317379480 1332205716 /nfs/dbraw/zinc/20/57/16/1332205716.db2.gz XEMYPPLAPYPIET-INIZCTEOSA-N 2 2 344.459 2.297 10 0 EEAELP COCCCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317379480 1332205720 /nfs/dbraw/zinc/20/57/20/1332205720.db2.gz XEMYPPLAPYPIET-INIZCTEOSA-N 2 2 344.459 2.297 10 0 EEAELP C[C@@H]1CCCC[C@]1(C[NH2+]CCOC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001318745381 1332587497 /nfs/dbraw/zinc/58/74/97/1332587497.db2.gz NNOJXRIULYXYPA-DNVCBOLYSA-N 2 2 348.491 2.176 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001320170750 1332842946 /nfs/dbraw/zinc/84/29/46/1332842946.db2.gz JUHXQBYALAUCDT-WMZOPIPTSA-N 2 2 332.492 2.417 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001320170115 1332843051 /nfs/dbraw/zinc/84/30/51/1332843051.db2.gz GCOWFTGDFINTOS-HKUYNNGSSA-N 2 2 340.471 2.080 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001321083716 1333014671 /nfs/dbraw/zinc/01/46/71/1333014671.db2.gz LDEDSMQMSOWCEB-QFRLHKFZSA-N 2 2 342.418 2.431 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001321083716 1333014675 /nfs/dbraw/zinc/01/46/75/1333014675.db2.gz LDEDSMQMSOWCEB-QFRLHKFZSA-N 2 2 342.418 2.431 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC=C(Cl)Cl)[C@H]1CCn2c[nH+]cc2C1 ZINC001321125169 1333025550 /nfs/dbraw/zinc/02/55/50/1333025550.db2.gz JEWPJPIEJQZMCM-BIOMNHJASA-N 2 2 343.258 2.027 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)o1 ZINC001321127106 1333026046 /nfs/dbraw/zinc/02/60/46/1333026046.db2.gz SFVHLQRGCBWHDU-FPLPWBNLSA-N 2 2 348.491 2.398 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)o1 ZINC001321127106 1333026048 /nfs/dbraw/zinc/02/60/48/1333026048.db2.gz SFVHLQRGCBWHDU-FPLPWBNLSA-N 2 2 348.491 2.398 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC[C@@H]1CCCCO1)c1cccc2[nH+]ccn21 ZINC001321155674 1333032775 /nfs/dbraw/zinc/03/27/75/1333032775.db2.gz OXANPYMTQLDTSY-YPQKKHBXSA-N 2 2 342.443 2.169 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NCC[NH+](C)Cc1ocnc1C)c1ccccc1 ZINC001492494371 1333375814 /nfs/dbraw/zinc/37/58/14/1333375814.db2.gz VIJSPJUWJVKVOM-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NCC[NH+](C)Cc1ocnc1C)c1ccccc1 ZINC001492494371 1333375816 /nfs/dbraw/zinc/37/58/16/1333375816.db2.gz VIJSPJUWJVKVOM-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NCC[N@H+](C)Cc1ocnc1C)c1ccccc1 ZINC001492494371 1333375821 /nfs/dbraw/zinc/37/58/21/1333375821.db2.gz VIJSPJUWJVKVOM-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NCC[N@@H+](C)Cc1ocnc1C)c1ccccc1 ZINC001492494371 1333375823 /nfs/dbraw/zinc/37/58/23/1333375823.db2.gz VIJSPJUWJVKVOM-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001326304767 1334064163 /nfs/dbraw/zinc/06/41/63/1334064163.db2.gz QQLDJSJGWQUAEB-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP Cc1cccn2cc(CC(=O)NCC3([NH2+]CCCF)CCC3)[nH+]c12 ZINC001326902480 1334180040 /nfs/dbraw/zinc/18/00/40/1334180040.db2.gz FJKICRHWMZSAOT-UHFFFAOYSA-N 2 2 332.423 2.173 10 0 EEAELP CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001327397033 1334284474 /nfs/dbraw/zinc/28/44/74/1334284474.db2.gz MLBUIHXNYBAOLK-DLBZAZTESA-N 2 2 337.508 2.011 10 0 EEAELP CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001327397033 1334284479 /nfs/dbraw/zinc/28/44/79/1334284479.db2.gz MLBUIHXNYBAOLK-DLBZAZTESA-N 2 2 337.508 2.011 10 0 EEAELP CC(C)COCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001327879229 1334358660 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COCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001566692096 1342604206 /nfs/dbraw/zinc/60/42/06/1342604206.db2.gz AAONNSOYMWCWSJ-IAGOWNOFSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001566860429 1342641916 /nfs/dbraw/zinc/64/19/16/1342641916.db2.gz ZHAGMWFQSLEZOF-HDICACEKSA-N 2 2 340.471 2.141 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC001567386091 1342750504 /nfs/dbraw/zinc/75/05/04/1342750504.db2.gz AFQOVFQJZHOZNZ-LJQANCHMSA-N 2 2 340.471 2.487 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC001567386091 1342750506 /nfs/dbraw/zinc/75/05/06/1342750506.db2.gz AFQOVFQJZHOZNZ-LJQANCHMSA-N 2 2 340.471 2.487 10 0 EEAELP O=C(NCC1([NH2+]CCCC2CCC2)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001569406407 1342865721 /nfs/dbraw/zinc/86/57/21/1342865721.db2.gz JPJPGAVJPXHPST-MRXNPFEDSA-N 2 2 330.476 2.264 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]CCc1cccs1)C1CCCC1 ZINC001569614043 1342909039 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10 0 EEAELP CC(C)OCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001677266368 1357304531 /nfs/dbraw/zinc/30/45/31/1357304531.db2.gz GSQDQNFQVJRFMD-MRXNPFEDSA-N 2 2 346.475 2.493 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001677376480 1357324322 /nfs/dbraw/zinc/32/43/22/1357324322.db2.gz UGZMJMWWLJOQIF-KGLIPLIRSA-N 2 2 344.381 2.287 10 0 EEAELP COCCCC[N@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001677582128 1357361867 /nfs/dbraw/zinc/36/18/67/1357361867.db2.gz JACVHTQVRJYOAI-UHFFFAOYSA-N 2 2 342.443 2.123 10 0 EEAELP COCCCC[N@@H+]1CC=C(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001677582128 1357361871 /nfs/dbraw/zinc/36/18/71/1357361871.db2.gz JACVHTQVRJYOAI-UHFFFAOYSA-N 2 2 342.443 2.123 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)sc1C ZINC001677632769 1357378166 /nfs/dbraw/zinc/37/81/66/1357378166.db2.gz VPDDJCBYLHFTSR-UHFFFAOYSA-N 2 2 348.516 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)sc1C ZINC001677632769 1357378173 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1355430886 /nfs/dbraw/zinc/43/08/86/1355430886.db2.gz TUUOVYSNGRAPGL-IBGZPJMESA-N 2 2 344.434 2.139 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001666258769 1355498157 /nfs/dbraw/zinc/49/81/57/1355498157.db2.gz HLSQDCMCUPOUCK-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP CN(CC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)CCn1cc[nH+]c1 ZINC001667603911 1355768594 /nfs/dbraw/zinc/76/85/94/1355768594.db2.gz RXDFDLUUDVZWMB-ZDUSSCGKSA-N 2 2 347.290 2.247 10 0 EEAELP CN(CC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)CCn1cc[nH+]c1 ZINC001667603911 1355768596 /nfs/dbraw/zinc/76/85/96/1355768596.db2.gz RXDFDLUUDVZWMB-ZDUSSCGKSA-N 2 2 347.290 2.247 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]CCc2ccns2)c[nH+]1 ZINC001668105091 1355871629 /nfs/dbraw/zinc/87/16/29/1355871629.db2.gz BEFJOTNWUAGFPW-CYBMUJFWSA-N 2 2 349.504 2.110 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCCC1CCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001668893685 1356037699 /nfs/dbraw/zinc/03/76/99/1356037699.db2.gz NZNXLPLMTKQBQJ-YYZONTRBSA-N 2 2 330.476 2.288 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH+]cn2C)cs1 ZINC001669167445 1356114476 /nfs/dbraw/zinc/11/44/76/1356114476.db2.gz NCHBCDQNHCSXHH-ONEGZZNKSA-N 2 2 332.473 2.185 10 0 EEAELP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001671753117 1356407529 /nfs/dbraw/zinc/40/75/29/1356407529.db2.gz NODWIDPPQZLOPU-APWZRJJASA-N 2 2 330.476 2.240 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001672901274 1356610248 /nfs/dbraw/zinc/61/02/48/1356610248.db2.gz DFDQLLQOHJXFHX-CQSZACIVSA-N 2 2 332.473 2.351 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC001673904695 1356757711 /nfs/dbraw/zinc/75/77/11/1356757711.db2.gz MYUGFNDCSBSVCL-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001675745801 1357045392 /nfs/dbraw/zinc/04/53/92/1357045392.db2.gz OAFBDWYBGOTLNR-WKILWMFISA-N 2 2 332.492 2.437 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699105301 1405259473 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LYURJCICPASYLB-GPMSIDNRSA-N 2 2 348.491 2.158 10 0 EEAELP CCOCCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001699873838 1405542280 /nfs/dbraw/zinc/54/22/80/1405542280.db2.gz LYURJCICPASYLB-GPMSIDNRSA-N 2 2 348.491 2.158 10 0 EEAELP CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989304 1405641093 /nfs/dbraw/zinc/64/10/93/1405641093.db2.gz HXOIGSKDAXLAJS-OKZBNKHCSA-N 2 2 344.503 2.416 10 0 EEAELP CCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001699989304 1405641099 /nfs/dbraw/zinc/64/10/99/1405641099.db2.gz HXOIGSKDAXLAJS-OKZBNKHCSA-N 2 2 344.503 2.416 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001125288309 757087066 /nfs/dbraw/zinc/08/70/66/757087066.db2.gz KCJUPBGMAXWJEO-UHFFFAOYSA-N 2 2 325.372 2.106 10 0 EEAELP Cc1cc(Cl)ncc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000821985990 786966010 /nfs/dbraw/zinc/96/60/10/786966010.db2.gz KAIQAKMLYARSTM-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP Cc1cc(Cl)ncc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000821985990 786966012 /nfs/dbraw/zinc/96/60/12/786966012.db2.gz KAIQAKMLYARSTM-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924835419 787193313 /nfs/dbraw/zinc/19/33/13/787193313.db2.gz KCYHBJCOIKVRBG-QZTJIDSGSA-N 2 2 331.460 2.032 10 0 EEAELP COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924835419 787193319 /nfs/dbraw/zinc/19/33/19/787193319.db2.gz KCYHBJCOIKVRBG-QZTJIDSGSA-N 2 2 331.460 2.032 10 0 EEAELP C[NH+]1C[C@]2(C)CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@]2(C)C1 ZINC000913275351 788751306 /nfs/dbraw/zinc/75/13/06/788751306.db2.gz ULFMFKWHIOZMEL-WOJBJXKFSA-N 2 2 338.455 2.215 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1C(F)(F)F ZINC000923397783 789495770 /nfs/dbraw/zinc/49/57/70/789495770.db2.gz DWHFOTOYGLAZNI-UKRRQHHQSA-N 2 2 328.378 2.483 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000923426395 789527550 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2.226 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCc1ccns1 ZINC001436445318 1087854897 /nfs/dbraw/zinc/85/48/97/1087854897.db2.gz BBVUQPFZCKLGLQ-JKSUJKDBSA-N 2 2 347.488 2.011 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCc1ccns1 ZINC001436445318 1087854921 /nfs/dbraw/zinc/85/49/21/1087854921.db2.gz BBVUQPFZCKLGLQ-JKSUJKDBSA-N 2 2 347.488 2.011 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCc1ccns1 ZINC001436445318 1087854939 /nfs/dbraw/zinc/85/49/39/1087854939.db2.gz BBVUQPFZCKLGLQ-JKSUJKDBSA-N 2 2 347.488 2.011 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCc1ccns1 ZINC001436445318 1087854963 /nfs/dbraw/zinc/85/49/63/1087854963.db2.gz BBVUQPFZCKLGLQ-JKSUJKDBSA-N 2 2 347.488 2.011 10 0 EEAELP CO[C@H](C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1)C1CCCC1 ZINC001436916967 1088577582 /nfs/dbraw/zinc/57/75/82/1088577582.db2.gz KJSAJBUTSNCHLE-VDHUWJSZSA-N 2 2 348.491 2.276 10 0 EEAELP 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ZINC001437509229 1089907058 /nfs/dbraw/zinc/90/70/58/1089907058.db2.gz SQJQAFBOSGHNOX-HNNXBMFYSA-N 2 2 332.473 2.064 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[N@H+](C)Cc1ccsc1)CC2 ZINC001437509229 1089907077 /nfs/dbraw/zinc/90/70/77/1089907077.db2.gz SQJQAFBOSGHNOX-HNNXBMFYSA-N 2 2 332.473 2.064 10 0 EEAELP Cc1nsc(C)c1C[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001437535851 1089974265 /nfs/dbraw/zinc/97/42/65/1089974265.db2.gz GFMGWLUPNFJEAR-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP Cc1nsc(C)c1C[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001437535851 1089974287 /nfs/dbraw/zinc/97/42/87/1089974287.db2.gz GFMGWLUPNFJEAR-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP CC[C@@H](F)C[N@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001437811317 1090404265 /nfs/dbraw/zinc/40/42/65/1090404265.db2.gz NGZSANCGUCBVEJ-OAHLLOKOSA-N 2 2 345.422 2.210 10 0 EEAELP CC[C@@H](F)C[N@@H+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC001437811317 1090404266 /nfs/dbraw/zinc/40/42/66/1090404266.db2.gz NGZSANCGUCBVEJ-OAHLLOKOSA-N 2 2 345.422 2.210 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001437898803 1090478743 /nfs/dbraw/zinc/47/87/43/1090478743.db2.gz YAKMSDBJMFKDNW-IXDOHACOSA-N 2 2 348.491 2.136 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001437898803 1090478747 /nfs/dbraw/zinc/47/87/47/1090478747.db2.gz YAKMSDBJMFKDNW-IXDOHACOSA-N 2 2 348.491 2.136 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2nocc2C)C1 ZINC001437898803 1090478748 /nfs/dbraw/zinc/47/87/48/1090478748.db2.gz YAKMSDBJMFKDNW-IXDOHACOSA-N 2 2 348.491 2.136 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2nocc2C)C1 ZINC001437898803 1090478751 /nfs/dbraw/zinc/47/87/51/1090478751.db2.gz YAKMSDBJMFKDNW-IXDOHACOSA-N 2 2 348.491 2.136 10 0 EEAELP CC(C)OCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001437994134 1090592607 /nfs/dbraw/zinc/59/26/07/1090592607.db2.gz OUUBAHNUPSRAEA-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)OCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001437994134 1090592613 /nfs/dbraw/zinc/59/26/13/1090592613.db2.gz OUUBAHNUPSRAEA-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)OCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001437994134 1090592616 /nfs/dbraw/zinc/59/26/16/1090592616.db2.gz OUUBAHNUPSRAEA-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)OCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001437994134 1090592620 /nfs/dbraw/zinc/59/26/20/1090592620.db2.gz OUUBAHNUPSRAEA-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CCC[N@H+](C)CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001437995179 1090594834 /nfs/dbraw/zinc/59/48/34/1090594834.db2.gz PYPRVWCZQBJCJL-UHFFFAOYSA-N 2 2 332.492 2.342 10 0 EEAELP CCC[N@@H+](C)CC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001437995179 1090594837 /nfs/dbraw/zinc/59/48/37/1090594837.db2.gz PYPRVWCZQBJCJL-UHFFFAOYSA-N 2 2 332.492 2.342 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)s1 ZINC001438018739 1090607930 /nfs/dbraw/zinc/60/79/30/1090607930.db2.gz XDFADLYZQKQNOM-CQSZACIVSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)s1 ZINC001438018739 1090607932 /nfs/dbraw/zinc/60/79/32/1090607932.db2.gz XDFADLYZQKQNOM-CQSZACIVSA-N 2 2 336.505 2.016 10 0 EEAELP CO[C@@H](C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001438054476 1090622052 /nfs/dbraw/zinc/62/20/52/1090622052.db2.gz UNYIUJJWIBWZQE-OALUTQOASA-N 2 2 345.487 2.049 10 0 EEAELP CO[C@@H](C[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001438054476 1090622053 /nfs/dbraw/zinc/62/20/53/1090622053.db2.gz UNYIUJJWIBWZQE-OALUTQOASA-N 2 2 345.487 2.049 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001438540862 1091031582 /nfs/dbraw/zinc/03/15/82/1091031582.db2.gz IKUQNQZIYNEJSN-BDJLRTHQSA-N 2 2 348.397 2.260 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC001438553163 1091045569 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WWOQKLSITAHSAF-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001439073104 1091719606 /nfs/dbraw/zinc/71/96/06/1091719606.db2.gz MUSWYICXEWHBKO-LSDHHAIUSA-N 2 2 330.432 2.137 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001445856584 1091771918 /nfs/dbraw/zinc/77/19/18/1091771918.db2.gz SKILDXCYNGRIPW-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CCC2(CC2)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001445856584 1091771923 /nfs/dbraw/zinc/77/19/23/1091771923.db2.gz SKILDXCYNGRIPW-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](C[N@H+](C)[C@H]1CCc2c1cc(F)cc2F)NC(=O)Cn1cc[nH+]c1 ZINC001445863289 1091782533 /nfs/dbraw/zinc/78/25/33/1091782533.db2.gz CMHRYWAZGMYRNP-PXAZEXFGSA-N 2 2 348.397 2.285 10 0 EEAELP C[C@H](C[N@@H+](C)[C@H]1CCc2c1cc(F)cc2F)NC(=O)Cn1cc[nH+]c1 ZINC001445863289 1091782539 /nfs/dbraw/zinc/78/25/39/1091782539.db2.gz CMHRYWAZGMYRNP-PXAZEXFGSA-N 2 2 348.397 2.285 10 0 EEAELP Cc1conc1C[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001439808507 1092771155 /nfs/dbraw/zinc/77/11/55/1092771155.db2.gz RQBCPKQTAAJBFD-UHFFFAOYSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)Cn3cc[nH+]c3)C2)cc1F ZINC001439866630 1092899444 /nfs/dbraw/zinc/89/94/44/1092899444.db2.gz IASHGLHHSXYAOQ-GOSISDBHSA-N 2 2 330.407 2.111 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)Cn3cc[nH+]c3)C2)cc1F ZINC001439866630 1092899455 /nfs/dbraw/zinc/89/94/55/1092899455.db2.gz IASHGLHHSXYAOQ-GOSISDBHSA-N 2 2 330.407 2.111 10 0 EEAELP CC[C@@H](F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001440124299 1093185437 /nfs/dbraw/zinc/18/54/37/1093185437.db2.gz UXGJWRCNOLCDMC-WCXIOVBPSA-N 2 2 336.455 2.381 10 0 EEAELP CC[C@@H](F)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001440124299 1093185438 /nfs/dbraw/zinc/18/54/38/1093185438.db2.gz UXGJWRCNOLCDMC-WCXIOVBPSA-N 2 2 336.455 2.381 10 0 EEAELP CC(=O)NCC[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC001440154125 1093215580 /nfs/dbraw/zinc/21/55/80/1093215580.db2.gz YSHYYBMLCOGSDD-UHFFFAOYSA-N 2 2 327.831 2.169 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1 ZINC001440342900 1093492209 /nfs/dbraw/zinc/49/22/09/1093492209.db2.gz QVAOZQKPSPSDBC-KOMQPUFPSA-N 2 2 345.468 2.379 10 0 EEAELP CN(CCC[N@H+](C)C/C(Cl)=C\Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001440466883 1093690456 /nfs/dbraw/zinc/69/04/56/1093690456.db2.gz FIGPBYQXMIQIBW-JLHYYAGUSA-N 2 2 334.291 2.182 10 0 EEAELP CN(CCC[N@@H+](C)C/C(Cl)=C\Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001440466883 1093690458 /nfs/dbraw/zinc/69/04/58/1093690458.db2.gz FIGPBYQXMIQIBW-JLHYYAGUSA-N 2 2 334.291 2.182 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001448668688 1093737047 /nfs/dbraw/zinc/73/70/47/1093737047.db2.gz CVYQYIKWTHHRAX-DAXOMENPSA-N 2 2 330.407 2.289 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001448668688 1093737052 /nfs/dbraw/zinc/73/70/52/1093737052.db2.gz CVYQYIKWTHHRAX-DAXOMENPSA-N 2 2 330.407 2.289 10 0 EEAELP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001448687381 1093750785 /nfs/dbraw/zinc/75/07/85/1093750785.db2.gz VVMIELIOJUFRGQ-HIFRSBDPSA-N 2 2 344.459 2.428 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)sn1 ZINC001440661571 1093930246 /nfs/dbraw/zinc/93/02/46/1093930246.db2.gz WXWRZMPSFIDKDW-LBPRGKRZSA-N 2 2 349.504 2.376 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001449068358 1094083180 /nfs/dbraw/zinc/08/31/80/1094083180.db2.gz VOQLMRRLDFMSOS-FTKQDORFSA-N 2 2 331.247 2.077 10 0 EEAELP Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001441034536 1094329069 /nfs/dbraw/zinc/32/90/69/1094329069.db2.gz PLLLHITZOKNZJT-WMZOPIPTSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ccncc1C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001441034536 1094329075 /nfs/dbraw/zinc/32/90/75/1094329075.db2.gz PLLLHITZOKNZJT-WMZOPIPTSA-N 2 2 341.459 2.318 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001441200954 1094562349 /nfs/dbraw/zinc/56/23/49/1094562349.db2.gz FGNPQNORKDJBJF-ZDUSSCGKSA-N 2 2 339.430 2.242 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)cc2F)C1 ZINC001441200954 1094562359 /nfs/dbraw/zinc/56/23/59/1094562359.db2.gz FGNPQNORKDJBJF-ZDUSSCGKSA-N 2 2 339.430 2.242 10 0 EEAELP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441285072 1094709322 /nfs/dbraw/zinc/70/93/22/1094709322.db2.gz UKOAUTUBCIOHLM-OKYOBFRVSA-N 2 2 338.455 2.398 10 0 EEAELP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441285072 1094709333 /nfs/dbraw/zinc/70/93/33/1094709333.db2.gz UKOAUTUBCIOHLM-OKYOBFRVSA-N 2 2 338.455 2.398 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@H](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001441421200 1095007758 /nfs/dbraw/zinc/00/77/58/1095007758.db2.gz UAEIUNUUCNXYEA-MRXNPFEDSA-N 2 2 349.504 2.346 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)s2)C1 ZINC001441507244 1095193602 /nfs/dbraw/zinc/19/36/02/1095193602.db2.gz KYGUOCNIBVSXPE-TXEJJXNPSA-N 2 2 338.864 2.425 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441590121 1095417800 /nfs/dbraw/zinc/41/78/00/1095417800.db2.gz SNIPYNZFLUUXAN-UONOGXRCSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441590121 1095417807 /nfs/dbraw/zinc/41/78/07/1095417807.db2.gz SNIPYNZFLUUXAN-UONOGXRCSA-N 2 2 340.418 2.216 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2cc[nH+]c2)n1 ZINC001441646096 1095590702 /nfs/dbraw/zinc/59/07/02/1095590702.db2.gz WMHBDJRTVVKRSB-HNNXBMFYSA-N 2 2 329.448 2.038 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C/Cl)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001441736858 1095725045 /nfs/dbraw/zinc/72/50/45/1095725045.db2.gz LHRGSPJYXSZOMC-XTJPSCMASA-N 2 2 336.867 2.215 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)C1CC[NH+](C/C=C\Cl)CC1 ZINC001442198468 1096478008 /nfs/dbraw/zinc/47/80/08/1096478008.db2.gz ZWJZASFAJZDRAD-LEPFTWFBSA-N 2 2 338.883 2.322 10 0 EEAELP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)cs1 ZINC001442257028 1096559068 /nfs/dbraw/zinc/55/90/68/1096559068.db2.gz UXVNOZFYQRRLJG-YGONEPDPSA-N 2 2 347.488 2.378 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC(NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001443484964 1097982258 /nfs/dbraw/zinc/98/22/58/1097982258.db2.gz ZBRIVJVYGJMXEJ-CQSZACIVSA-N 2 2 331.460 2.041 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001443484964 1097982262 /nfs/dbraw/zinc/98/22/62/1097982262.db2.gz ZBRIVJVYGJMXEJ-CQSZACIVSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001479757010 1098911377 /nfs/dbraw/zinc/91/13/77/1098911377.db2.gz HUJPKFKQEYUUFL-SJLPKXTDSA-N 2 2 330.476 2.458 10 0 EEAELP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001479827725 1099107657 /nfs/dbraw/zinc/10/76/57/1099107657.db2.gz YGJAFJHENACRMB-WBVHZDCISA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001479827725 1099107662 /nfs/dbraw/zinc/10/76/62/1099107662.db2.gz YGJAFJHENACRMB-WBVHZDCISA-N 2 2 336.480 2.127 10 0 EEAELP CCOCCC[NH+]1CCC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001479894328 1099271689 /nfs/dbraw/zinc/27/16/89/1099271689.db2.gz OICMIUUKHXOGJM-UHFFFAOYSA-N 2 2 336.480 2.037 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001480036143 1099530827 /nfs/dbraw/zinc/53/08/27/1099530827.db2.gz ZLECDNDTEDHIAD-KRWDZBQOSA-N 2 2 348.397 2.154 10 0 EEAELP CC(C)C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1)n1cc[nH+]c1 ZINC001480144392 1099711605 /nfs/dbraw/zinc/71/16/05/1099711605.db2.gz ICSZWUIFZWJTPN-BZSNNMDCSA-N 2 2 341.459 2.302 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCn2cc[nH+]c2)s1 ZINC001445114515 1100356312 /nfs/dbraw/zinc/35/63/12/1100356312.db2.gz NLDRMMSZQDOCFC-GOEBONIOSA-N 2 2 347.488 2.113 10 0 EEAELP CC(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001445117724 1100361097 /nfs/dbraw/zinc/36/10/97/1100361097.db2.gz LRQOYKPUQNQQFA-DOTOQJQBSA-N 2 2 332.492 2.292 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@@H]2CC(C)(C)CO2)CCCC1 ZINC001495205037 1100886099 /nfs/dbraw/zinc/88/60/99/1100886099.db2.gz QUHYJIXICJQKLF-HNNXBMFYSA-N 2 2 348.491 2.094 10 0 EEAELP Cc1cnc(C[NH+]2CCC(C)(NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001446471305 1100894923 /nfs/dbraw/zinc/89/49/23/1100894923.db2.gz HOGAIZOOAXOEHR-MRXNPFEDSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[NH+]2CCC(C)(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001446471305 1100894932 /nfs/dbraw/zinc/89/49/32/1100894932.db2.gz HOGAIZOOAXOEHR-MRXNPFEDSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@@](C)(C[NH2+]CCCF)C3CC3)[nH+]c12 ZINC001495287417 1100986150 /nfs/dbraw/zinc/98/61/50/1100986150.db2.gz FUGPOVYKEFUNPT-IBGZPJMESA-N 2 2 346.450 2.419 10 0 EEAELP Cc1cnc(C[NH2+]C[C@]2(NC(=O)C[NH+]3CCCC3)CCCC[C@@H]2C)o1 ZINC001495334997 1101043213 /nfs/dbraw/zinc/04/32/13/1101043213.db2.gz XJHLCATXBSOMEU-HNAYVOBHSA-N 2 2 348.491 2.234 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CCC[C@H](C)O)C(C)C)ccn12 ZINC001496561721 1101163283 /nfs/dbraw/zinc/16/32/83/1101163283.db2.gz MNXCPJYMQVPEQZ-RDJZCZTQSA-N 2 2 346.475 2.148 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c1 ZINC001496608383 1101210230 /nfs/dbraw/zinc/21/02/30/1101210230.db2.gz SNHKSEKIBLIUQH-KSSFIOAISA-N 2 2 344.459 2.452 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001496614663 1101220840 /nfs/dbraw/zinc/22/08/40/1101220840.db2.gz GVRIMLFCKCJDSY-DYVFJYSZSA-N 2 2 347.463 2.370 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@H+](CCC(C)C)CCC1(F)F ZINC001446726063 1101297114 /nfs/dbraw/zinc/29/71/14/1101297114.db2.gz MPUZNHJLDHCPFR-CQSZACIVSA-N 2 2 342.434 2.380 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)CCC1(F)F ZINC001446726063 1101297121 /nfs/dbraw/zinc/29/71/21/1101297121.db2.gz MPUZNHJLDHCPFR-CQSZACIVSA-N 2 2 342.434 2.380 10 0 EEAELP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC001496898221 1101687487 /nfs/dbraw/zinc/68/74/87/1101687487.db2.gz IVZWEHJPNGTMSG-DOTOQJQBSA-N 2 2 330.407 2.330 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]Cc2cncs2)CCCC1 ZINC001495918395 1101763294 /nfs/dbraw/zinc/76/32/94/1101763294.db2.gz KWNUEGCGYSFKAR-UHFFFAOYSA-N 2 2 333.461 2.018 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]Cc2cncs2)CCCC1 ZINC001495918395 1101763298 /nfs/dbraw/zinc/76/32/98/1101763298.db2.gz KWNUEGCGYSFKAR-UHFFFAOYSA-N 2 2 333.461 2.018 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1cscn1 ZINC001447042453 1101832547 /nfs/dbraw/zinc/83/25/47/1101832547.db2.gz NYQOHANZDWINFB-HZPDHXFCSA-N 2 2 336.505 2.050 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1cscn1 ZINC001447042453 1101832563 /nfs/dbraw/zinc/83/25/63/1101832563.db2.gz NYQOHANZDWINFB-HZPDHXFCSA-N 2 2 336.505 2.050 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001447042453 1101832579 /nfs/dbraw/zinc/83/25/79/1101832579.db2.gz NYQOHANZDWINFB-HZPDHXFCSA-N 2 2 336.505 2.050 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001447042453 1101832597 /nfs/dbraw/zinc/83/25/97/1101832597.db2.gz NYQOHANZDWINFB-HZPDHXFCSA-N 2 2 336.505 2.050 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)sn1 ZINC001496096072 1102052568 /nfs/dbraw/zinc/05/25/68/1102052568.db2.gz JCDHCPHHUDFBBJ-CQSZACIVSA-N 2 2 349.504 2.328 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC1CCCCC1 ZINC001447151590 1102092034 /nfs/dbraw/zinc/09/20/34/1102092034.db2.gz MMUMYNNIOSFRIR-SFHVURJKSA-N 2 2 339.524 2.116 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@H]1COCC[NH+]1CCC1CCCCC1 ZINC001447151590 1102092048 /nfs/dbraw/zinc/09/20/48/1102092048.db2.gz MMUMYNNIOSFRIR-SFHVURJKSA-N 2 2 339.524 2.116 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@@H+]1CCC1CCCCC1 ZINC001447151590 1102092061 /nfs/dbraw/zinc/09/20/61/1102092061.db2.gz MMUMYNNIOSFRIR-SFHVURJKSA-N 2 2 339.524 2.116 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1CCC1CCCCC1 ZINC001447151590 1102092074 /nfs/dbraw/zinc/09/20/74/1102092074.db2.gz MMUMYNNIOSFRIR-SFHVURJKSA-N 2 2 339.524 2.116 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)cs1 ZINC001496172076 1102168962 /nfs/dbraw/zinc/16/89/62/1102168962.db2.gz MPDZWLRLGXMWBA-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001497287071 1102256577 /nfs/dbraw/zinc/25/65/77/1102256577.db2.gz TYIYELDZFYVQEN-NWDGAFQWSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001497287071 1102256587 /nfs/dbraw/zinc/25/65/87/1102256587.db2.gz TYIYELDZFYVQEN-NWDGAFQWSA-N 2 2 335.477 2.038 10 0 EEAELP COc1cccc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCC2)c1C ZINC001447269345 1102347767 /nfs/dbraw/zinc/34/77/67/1102347767.db2.gz SNBDBYJJBZAGCA-UHFFFAOYSA-N 2 2 342.443 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/nfs/dbraw/zinc/21/25/96/215212596.db2.gz PDRQQQSRWMABMS-AWEZNQCLSA-N 2 2 327.432 2.012 10 0 EEAELP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000678258513 539986497 /nfs/dbraw/zinc/98/64/97/539986497.db2.gz BFPZBYDGHOMPIY-LJQANCHMSA-N 2 2 339.487 2.289 10 0 EEAELP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)C1 ZINC000678258513 539986500 /nfs/dbraw/zinc/98/65/00/539986500.db2.gz BFPZBYDGHOMPIY-LJQANCHMSA-N 2 2 339.487 2.289 10 0 EEAELP FC(F)(F)CN1CCC(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422817967 282907517 /nfs/dbraw/zinc/90/75/17/282907517.db2.gz IXLZETOYKIABJT-JKSUJKDBSA-N 2 2 349.441 2.007 10 0 EEAELP C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355212684 291297956 /nfs/dbraw/zinc/29/79/56/291297956.db2.gz DNQMNEBPODNEAO-GXTWGEPZSA-N 2 2 343.397 2.001 10 0 EEAELP C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355212684 291297959 /nfs/dbraw/zinc/29/79/59/291297959.db2.gz DNQMNEBPODNEAO-GXTWGEPZSA-N 2 2 343.397 2.001 10 0 EEAELP CCOc1cc2c(cc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)O[C@H](C)C2 ZINC000422782797 240221090 /nfs/dbraw/zinc/22/10/90/240221090.db2.gz MJGDZEOROSINGD-SMHULIPUSA-N 2 2 346.471 2.265 10 0 EEAELP FC(F)(F)COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422812347 240240783 /nfs/dbraw/zinc/24/07/83/240240783.db2.gz XNHTWCDZWJTGBX-CVEARBPZSA-N 2 2 344.377 2.484 10 0 EEAELP c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(OC2CCCC2)n1 ZINC000422960955 240307954 /nfs/dbraw/zinc/30/79/54/240307954.db2.gz AFXIICILMVMRPB-PKOBYXMFSA-N 2 2 331.460 2.260 10 0 EEAELP COc1ccc(C(C)(C)C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC ZINC000422858876 240263607 /nfs/dbraw/zinc/26/36/07/240263607.db2.gz JDUCMQLRCFJIEQ-MOPGFXCFSA-N 2 2 348.487 2.338 10 0 EEAELP COc1ccc(C(C)(C)C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000422858878 240263735 /nfs/dbraw/zinc/26/37/35/240263735.db2.gz JDUCMQLRCFJIEQ-RBUKOAKNSA-N 2 2 348.487 2.338 10 0 EEAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422895114 240279937 /nfs/dbraw/zinc/27/99/37/240279937.db2.gz DYWCOAIUJHJCHJ-RTWAWAEBSA-N 3 2 343.515 2.316 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140442 240381204 /nfs/dbraw/zinc/38/12/04/240381204.db2.gz YGXCJVBIYAUABJ-XUVXKRRUSA-N 3 2 343.515 2.385 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140442 240381207 /nfs/dbraw/zinc/38/12/07/240381207.db2.gz YGXCJVBIYAUABJ-XUVXKRRUSA-N 3 2 343.515 2.385 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000426641110 241320268 /nfs/dbraw/zinc/32/02/68/241320268.db2.gz YEJRSMBUYLFFAT-LEOMRAHMSA-N 2 2 336.524 2.233 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000426641110 241320273 /nfs/dbraw/zinc/32/02/73/241320273.db2.gz YEJRSMBUYLFFAT-LEOMRAHMSA-N 2 2 336.524 2.233 10 0 EEAELP CS[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000451314352 243074268 /nfs/dbraw/zinc/07/42/68/243074268.db2.gz ODSYGIHEXHIRSW-WMZOPIPTSA-N 2 2 347.528 2.329 10 0 EEAELP CS[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000451314352 243074272 /nfs/dbraw/zinc/07/42/72/243074272.db2.gz ODSYGIHEXHIRSW-WMZOPIPTSA-N 2 2 347.528 2.329 10 0 EEAELP CC[C@@H]1C[N@H+](CC)CCN1Cc1cccc(N(CC)CCOC)[nH+]1 ZINC000451741680 243238477 /nfs/dbraw/zinc/23/84/77/243238477.db2.gz PGXMOWSWJSCHPO-GOSISDBHSA-N 2 2 334.508 2.470 10 0 EEAELP CC[C@@H]1C[N@@H+](CC)CCN1Cc1cccc(N(CC)CCOC)[nH+]1 ZINC000451741680 243238482 /nfs/dbraw/zinc/23/84/82/243238482.db2.gz PGXMOWSWJSCHPO-GOSISDBHSA-N 2 2 334.508 2.470 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000457502868 244570002 /nfs/dbraw/zinc/57/00/02/244570002.db2.gz GGVINWRCJYSBLD-UHFFFAOYSA-N 2 2 341.459 2.058 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)c1 ZINC000459146108 245010522 /nfs/dbraw/zinc/01/05/22/245010522.db2.gz ILHCSQZHTRPSDC-UHFFFAOYSA-N 2 2 335.496 2.307 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)c2ccnn2C)cc1 ZINC000459710005 245218748 /nfs/dbraw/zinc/21/87/48/245218748.db2.gz KYXVLFBPOYMZDM-GUYCJALGSA-N 2 2 325.416 2.298 10 0 EEAELP Clc1cccc(Cl)c1OCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262542731 152290308 /nfs/dbraw/zinc/29/03/08/152290308.db2.gz RHYFTTBDSKXYRR-ZDUSSCGKSA-N 2 2 344.286 2.352 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263013470 152357750 /nfs/dbraw/zinc/35/77/50/152357750.db2.gz QARAJXYIRKGCQT-INIZCTEOSA-N 2 2 337.414 2.286 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2COC)[C@H](C)C1 ZINC000081097001 159149017 /nfs/dbraw/zinc/14/90/17/159149017.db2.gz LEOZAHCWBFMXLE-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2COC)[C@H](C)C1 ZINC000081097001 159149021 /nfs/dbraw/zinc/14/90/21/159149021.db2.gz LEOZAHCWBFMXLE-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2COC)[C@H](C)C1 ZINC000081097001 159149024 /nfs/dbraw/zinc/14/90/24/159149024.db2.gz LEOZAHCWBFMXLE-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2COC)[C@H](C)C1 ZINC000081097001 159149028 /nfs/dbraw/zinc/14/90/28/159149028.db2.gz LEOZAHCWBFMXLE-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP COc1c(C)cc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C ZINC000093046713 159229608 /nfs/dbraw/zinc/22/96/08/159229608.db2.gz ACSFXFMFODQUTA-UHFFFAOYSA-N 2 2 345.487 2.052 10 0 EEAELP CC[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000104685793 159289810 /nfs/dbraw/zinc/28/98/10/159289810.db2.gz LMBUAPUVTZAUCF-MRXNPFEDSA-N 2 2 347.507 2.287 10 0 EEAELP CC[C@@H](C)[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000104685793 159289812 /nfs/dbraw/zinc/28/98/12/159289812.db2.gz LMBUAPUVTZAUCF-MRXNPFEDSA-N 2 2 347.507 2.287 10 0 EEAELP CCC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000109787193 159352810 /nfs/dbraw/zinc/35/28/10/159352810.db2.gz FODJWUZHGASPDA-UHFFFAOYSA-N 2 2 333.432 2.160 10 0 EEAELP CCC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000109787193 159352812 /nfs/dbraw/zinc/35/28/12/159352812.db2.gz FODJWUZHGASPDA-UHFFFAOYSA-N 2 2 333.432 2.160 10 0 EEAELP CC(C)c1nc(N(C)C2CC[NH+](CCn3cccn3)CC2)cc[nH+]1 ZINC000110561163 159360886 /nfs/dbraw/zinc/36/08/86/159360886.db2.gz XONYZAKVPKFHIV-UHFFFAOYSA-N 2 2 328.464 2.397 10 0 EEAELP C[C@H]1CCC[N@H+](CCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186359351 160068315 /nfs/dbraw/zinc/06/83/15/160068315.db2.gz HFARXNVJEMDSGZ-KRWDZBQOSA-N 2 2 345.491 2.035 10 0 EEAELP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186359351 160068316 /nfs/dbraw/zinc/06/83/16/160068316.db2.gz HFARXNVJEMDSGZ-KRWDZBQOSA-N 2 2 345.491 2.035 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246572841 160285076 /nfs/dbraw/zinc/28/50/76/160285076.db2.gz DYJBFQPOTXPHIL-LPHOPBHVSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246572841 160285077 /nfs/dbraw/zinc/28/50/77/160285077.db2.gz DYJBFQPOTXPHIL-LPHOPBHVSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246572841 160285080 /nfs/dbraw/zinc/28/50/80/160285080.db2.gz DYJBFQPOTXPHIL-LPHOPBHVSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246572841 160285082 /nfs/dbraw/zinc/28/50/82/160285082.db2.gz DYJBFQPOTXPHIL-LPHOPBHVSA-N 2 2 347.503 2.254 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1n1cc[nH+]c1 ZINC000246810785 160294937 /nfs/dbraw/zinc/29/49/37/160294937.db2.gz AAXMMWVVVNXLBB-NEWSRXKRSA-N 2 2 340.471 2.466 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000343774419 161166865 /nfs/dbraw/zinc/16/68/65/161166865.db2.gz XJRNVWWYRCHRRM-NTZNESFSSA-N 2 2 333.259 2.273 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000343774419 161166866 /nfs/dbraw/zinc/16/68/66/161166866.db2.gz XJRNVWWYRCHRRM-NTZNESFSSA-N 2 2 333.259 2.273 10 0 EEAELP CO[C@H]1C[C@@H](CN(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[N@H+](C)C1 ZINC000343874690 161176658 /nfs/dbraw/zinc/17/66/58/161176658.db2.gz PRAAQTRGNXSASI-HOTGVXAUSA-N 2 2 327.432 2.002 10 0 EEAELP CO[C@H]1C[C@@H](CN(C)c2cc(C)[nH+]c(-c3ccncc3)n2)[N@@H+](C)C1 ZINC000343874690 161176659 /nfs/dbraw/zinc/17/66/59/161176659.db2.gz PRAAQTRGNXSASI-HOTGVXAUSA-N 2 2 327.432 2.002 10 0 EEAELP CSC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1 ZINC000346115602 161358429 /nfs/dbraw/zinc/35/84/29/161358429.db2.gz QAWDPXOLSZCYDG-UHFFFAOYSA-N 2 2 339.549 2.339 10 0 EEAELP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346489004 161376356 /nfs/dbraw/zinc/37/63/56/161376356.db2.gz KCEWYBKCPUGCTF-NWDGAFQWSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346489004 161376357 /nfs/dbraw/zinc/37/63/57/161376357.db2.gz KCEWYBKCPUGCTF-NWDGAFQWSA-N 2 2 349.385 2.370 10 0 EEAELP C[NH+](C)Cc1ccccc1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357115517 163628910 /nfs/dbraw/zinc/62/89/10/163628910.db2.gz KCONWGRQBWHSAW-UHFFFAOYSA-N 2 2 335.411 2.259 10 0 EEAELP Cc1ccncc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000358905925 164012946 /nfs/dbraw/zinc/01/29/46/164012946.db2.gz PTHQVFBGXRRJRV-UHFFFAOYSA-N 2 2 330.476 2.070 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(N2CCOCC2)c1 ZINC000368099609 166050697 /nfs/dbraw/zinc/05/06/97/166050697.db2.gz GGVNNOISTAJHIH-GOEBONIOSA-N 2 2 326.444 2.454 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(N2CCOCC2)c1 ZINC000368099609 166050698 /nfs/dbraw/zinc/05/06/98/166050698.db2.gz GGVNNOISTAJHIH-GOEBONIOSA-N 2 2 326.444 2.454 10 0 EEAELP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376674624 167373176 /nfs/dbraw/zinc/37/31/76/167373176.db2.gz UCQZNJDSUUQBTD-DOTOQJQBSA-N 2 2 345.491 2.188 10 0 EEAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1csnn1)CC2 ZINC000275577162 269126161 /nfs/dbraw/zinc/12/61/61/269126161.db2.gz HEMVMHMSQVVUJJ-ZDUSSCGKSA-N 2 2 335.502 2.481 10 0 EEAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](Cc1csnn1)CC2 ZINC000275577162 269126162 /nfs/dbraw/zinc/12/61/62/269126162.db2.gz HEMVMHMSQVVUJJ-ZDUSSCGKSA-N 2 2 335.502 2.481 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063884 275370409 /nfs/dbraw/zinc/37/04/09/275370409.db2.gz CSZFVHONUBNSIT-PXNSSMCTSA-N 3 2 342.487 2.042 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)c2cc1C ZINC000292063884 275370411 /nfs/dbraw/zinc/37/04/11/275370411.db2.gz CSZFVHONUBNSIT-PXNSSMCTSA-N 3 2 342.487 2.042 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000292063884 275370413 /nfs/dbraw/zinc/37/04/13/275370413.db2.gz CSZFVHONUBNSIT-PXNSSMCTSA-N 3 2 342.487 2.042 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000292063884 275370414 /nfs/dbraw/zinc/37/04/14/275370414.db2.gz CSZFVHONUBNSIT-PXNSSMCTSA-N 3 2 342.487 2.042 10 0 EEAELP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245430159 276307597 /nfs/dbraw/zinc/30/75/97/276307597.db2.gz ADEHSRMLBWLZFY-ZIAGYGMSSA-N 2 2 335.414 2.061 10 0 EEAELP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245430159 276307598 /nfs/dbraw/zinc/30/75/98/276307598.db2.gz ADEHSRMLBWLZFY-ZIAGYGMSSA-N 2 2 335.414 2.061 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245430159 276307601 /nfs/dbraw/zinc/30/76/01/276307601.db2.gz ADEHSRMLBWLZFY-ZIAGYGMSSA-N 2 2 335.414 2.061 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245430159 276307602 /nfs/dbraw/zinc/30/76/02/276307602.db2.gz ADEHSRMLBWLZFY-ZIAGYGMSSA-N 2 2 335.414 2.061 10 0 EEAELP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000422932662 278347948 /nfs/dbraw/zinc/34/79/48/278347948.db2.gz GIHLJOLQZMFJEC-LLVKDONJSA-N 2 2 339.848 2.272 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000297997241 294392927 /nfs/dbraw/zinc/39/29/27/294392927.db2.gz NTDQYJDZIHLNLI-RHSMWYFYSA-N 2 2 329.448 2.394 10 0 EEAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCCO2 ZINC000151254031 295271716 /nfs/dbraw/zinc/27/17/16/295271716.db2.gz WKWFBIHVWNAIDT-YJBOKZPZSA-N 2 2 334.460 2.345 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000168346299 311392336 /nfs/dbraw/zinc/39/23/36/311392336.db2.gz RLNJPBNIVYKPND-VQIMIIECSA-N 2 2 338.455 2.496 10 0 EEAELP CC[N@H+](CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000416866364 313340843 /nfs/dbraw/zinc/34/08/43/313340843.db2.gz APYVJQFLDVGWJL-GOSISDBHSA-N 2 2 330.476 2.439 10 0 EEAELP CC[N@@H+](CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000416866364 313340846 /nfs/dbraw/zinc/34/08/46/313340846.db2.gz APYVJQFLDVGWJL-GOSISDBHSA-N 2 2 330.476 2.439 10 0 EEAELP C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@@H]1C[NH3+] ZINC000417068922 313412530 /nfs/dbraw/zinc/41/25/30/313412530.db2.gz JQPURPCDTZCHDP-YJBOKZPZSA-N 2 2 341.459 2.058 10 0 EEAELP C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000418434038 313813094 /nfs/dbraw/zinc/81/30/94/313813094.db2.gz UUOQCQQDAOAESL-DJIMGWMZSA-N 2 2 327.432 2.176 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418553379 313844466 /nfs/dbraw/zinc/84/44/66/313844466.db2.gz MYVFCJTZBHMWFG-FMKPAKJESA-N 2 2 336.505 2.134 10 0 EEAELP c1ccc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cn2)nc1 ZINC000425417326 314389996 /nfs/dbraw/zinc/38/99/96/314389996.db2.gz JWONREDRZWOHHA-GOSISDBHSA-N 2 2 338.455 2.298 10 0 EEAELP c1ccc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cn2)nc1 ZINC000425417326 314390001 /nfs/dbraw/zinc/39/00/01/314390001.db2.gz JWONREDRZWOHHA-GOSISDBHSA-N 2 2 338.455 2.298 10 0 EEAELP C[N@@H+]1CCN(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1(C)C ZINC000441358890 315182022 /nfs/dbraw/zinc/18/20/22/315182022.db2.gz VZQDKLRUPSDHIE-UHFFFAOYSA-N 3 2 333.505 2.049 10 0 EEAELP C[N@H+]1CCN(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1(C)C ZINC000441358890 315182027 /nfs/dbraw/zinc/18/20/27/315182027.db2.gz VZQDKLRUPSDHIE-UHFFFAOYSA-N 3 2 333.505 2.049 10 0 EEAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCCCn1cc[nH+]c1 ZINC000518363672 316721089 /nfs/dbraw/zinc/72/10/89/316721089.db2.gz IBRAWFXUTRJBKV-SFHVURJKSA-N 2 2 343.475 2.135 10 0 EEAELP CC[NH+]1CCN(CC(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)CC1 ZINC000525312398 317056214 /nfs/dbraw/zinc/05/62/14/317056214.db2.gz SYWGIFAJQWGOKA-UHFFFAOYSA-N 2 2 341.459 2.406 10 0 EEAELP COC[C@H](C)CNc1ccc2[nH]c(CC[NH+]3CCOCC3)[nH+]c2c1 ZINC000527105038 317152621 /nfs/dbraw/zinc/15/26/21/317152621.db2.gz YQOIHIPMBGMPCG-CQSZACIVSA-N 2 2 332.448 2.132 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+]CCc2cccc3c2OC(F)(F)O3)n1C ZINC000527756355 317257431 /nfs/dbraw/zinc/25/74/31/317257431.db2.gz XKFHHVLAKVQTOJ-UHFFFAOYSA-N 2 2 338.358 2.140 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000566325826 319275484 /nfs/dbraw/zinc/27/54/84/319275484.db2.gz ZYBRPTLOSXGHGF-LJQANCHMSA-N 2 2 341.459 2.367 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000566325826 319275487 /nfs/dbraw/zinc/27/54/87/319275487.db2.gz ZYBRPTLOSXGHGF-LJQANCHMSA-N 2 2 341.459 2.367 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)s1 ZINC000574987206 320077240 /nfs/dbraw/zinc/07/72/40/320077240.db2.gz MDLFCLKYEZETKJ-UONOGXRCSA-N 2 2 338.521 2.264 10 0 EEAELP CSC[C@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000581365384 324237953 /nfs/dbraw/zinc/23/79/53/324237953.db2.gz QSOYMVMDSCNAJE-WXRRBKDZSA-N 2 2 326.428 2.105 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000581537661 324275183 /nfs/dbraw/zinc/27/51/83/324275183.db2.gz YFSYMFXAXZYRGQ-WBVHZDCISA-N 2 2 345.491 2.211 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@@H](C)C[NH+]2CCCC2)nc(C)[nH+]1 ZINC000601105708 449692024 /nfs/dbraw/zinc/69/20/24/449692024.db2.gz NFKQVMUEVMIXSW-CQSZACIVSA-N 2 2 334.464 2.425 10 0 EEAELP OCCC[N@@H+]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624248906 450763032 /nfs/dbraw/zinc/76/30/32/450763032.db2.gz IQNIOHQTLQPPJD-CQSZACIVSA-N 2 2 325.416 2.141 10 0 EEAELP OCCC[N@H+]1CCC[C@@H](Nc2nc3ccccc3n3c[nH+]cc23)C1 ZINC000624248906 450763036 /nfs/dbraw/zinc/76/30/36/450763036.db2.gz IQNIOHQTLQPPJD-CQSZACIVSA-N 2 2 325.416 2.141 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@H]2CCCSC2)([NH+]2CCCCC2)CC1 ZINC000354653734 465075470 /nfs/dbraw/zinc/07/54/70/465075470.db2.gz CUXXFMVQNKRIAY-INIZCTEOSA-N 2 2 339.549 2.196 10 0 EEAELP C[C@H](c1nc(C2CC2)no1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119689091 462922002 /nfs/dbraw/zinc/92/20/02/462922002.db2.gz JJQSMCZYIKXGNM-KTFSGNIMSA-N 2 2 345.491 2.251 10 0 EEAELP C[C@H](c1nc(C2CC2)no1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119689091 462922006 /nfs/dbraw/zinc/92/20/06/462922006.db2.gz JJQSMCZYIKXGNM-KTFSGNIMSA-N 2 2 345.491 2.251 10 0 EEAELP C[N@@H+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1Cc1ccccc1 ZINC000552805122 468338667 /nfs/dbraw/zinc/33/86/67/468338667.db2.gz XUGPYKRGVXTMMW-INIZCTEOSA-N 2 2 326.444 2.073 10 0 EEAELP C[N@H+]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1Cc1ccccc1 ZINC000552805122 468338672 /nfs/dbraw/zinc/33/86/72/468338672.db2.gz XUGPYKRGVXTMMW-INIZCTEOSA-N 2 2 326.444 2.073 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000069528811 463269298 /nfs/dbraw/zinc/26/92/98/463269298.db2.gz YCSDEICKZUWVOV-SJORKVTESA-N 2 2 339.443 2.356 10 0 EEAELP CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000069528811 463269301 /nfs/dbraw/zinc/26/93/01/463269301.db2.gz YCSDEICKZUWVOV-SJORKVTESA-N 2 2 339.443 2.356 10 0 EEAELP CCCn1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000123039972 463313001 /nfs/dbraw/zinc/31/30/01/463313001.db2.gz VKWZXMKVGDWRQU-HDICACEKSA-N 2 2 333.524 2.284 10 0 EEAELP CCCn1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000123039972 463313007 /nfs/dbraw/zinc/31/30/07/463313007.db2.gz VKWZXMKVGDWRQU-HDICACEKSA-N 2 2 333.524 2.284 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105104085 463438290 /nfs/dbraw/zinc/43/82/90/463438290.db2.gz UUROZOHFFIKRTG-QGZVFWFLSA-N 2 2 343.475 2.062 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105104085 463438295 /nfs/dbraw/zinc/43/82/95/463438295.db2.gz UUROZOHFFIKRTG-QGZVFWFLSA-N 2 2 343.475 2.062 10 0 EEAELP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151276165 463505591 /nfs/dbraw/zinc/50/55/91/463505591.db2.gz ATEGVCAGQYZPAF-IRXDYDNUSA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1NC(C)=O ZINC000151374531 463520400 /nfs/dbraw/zinc/52/04/00/463520400.db2.gz HPUZTLNIRSURJV-CQSZACIVSA-N 2 2 349.475 2.151 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112079969 463689887 /nfs/dbraw/zinc/68/98/87/463689887.db2.gz WQIDWQKVJHBSKF-MRXNPFEDSA-N 2 2 327.432 2.370 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112079969 463689891 /nfs/dbraw/zinc/68/98/91/463689891.db2.gz WQIDWQKVJHBSKF-MRXNPFEDSA-N 2 2 327.432 2.370 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261990236 463919263 /nfs/dbraw/zinc/91/92/63/463919263.db2.gz SPWULUCEEPXQJJ-ZWJWXYIHSA-N 3 2 337.552 2.490 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261990236 463919264 /nfs/dbraw/zinc/91/92/64/463919264.db2.gz SPWULUCEEPXQJJ-ZWJWXYIHSA-N 3 2 337.552 2.490 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292261032 464176316 /nfs/dbraw/zinc/17/63/16/464176316.db2.gz YOZKXVQDWZQTHL-KHYOSLBOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292261032 464176321 /nfs/dbraw/zinc/17/63/21/464176321.db2.gz YOZKXVQDWZQTHL-KHYOSLBOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292261032 464176324 /nfs/dbraw/zinc/17/63/24/464176324.db2.gz YOZKXVQDWZQTHL-KHYOSLBOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292261032 464176328 /nfs/dbraw/zinc/17/63/28/464176328.db2.gz YOZKXVQDWZQTHL-KHYOSLBOSA-N 2 2 333.451 2.419 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000173648485 464302499 /nfs/dbraw/zinc/30/24/99/464302499.db2.gz XQYNAZMMKCIDBJ-DLBZAZTESA-N 2 2 341.459 2.145 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000173648485 464302505 /nfs/dbraw/zinc/30/25/05/464302505.db2.gz XQYNAZMMKCIDBJ-DLBZAZTESA-N 2 2 341.459 2.145 10 0 EEAELP O[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C[N@@H+]1CCc2ccccc2C1 ZINC000237969549 464413441 /nfs/dbraw/zinc/41/34/41/464413441.db2.gz COBGLPKUMWHDLE-LJQANCHMSA-N 2 2 336.439 2.072 10 0 EEAELP O[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)C[N@H+]1CCc2ccccc2C1 ZINC000237969549 464413446 /nfs/dbraw/zinc/41/34/46/464413446.db2.gz COBGLPKUMWHDLE-LJQANCHMSA-N 2 2 336.439 2.072 10 0 EEAELP C[C@H]1CC[N@H+](Cc2csc(CC(=O)N(C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000245715166 464509069 /nfs/dbraw/zinc/50/90/69/464509069.db2.gz UACTWRSEDNAIFS-DZGCQCFKSA-N 2 2 347.488 2.053 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2csc(CC(=O)N(C)C)n2)C[C@H]1n1cc[nH+]c1 ZINC000245715166 464509079 /nfs/dbraw/zinc/50/90/79/464509079.db2.gz UACTWRSEDNAIFS-DZGCQCFKSA-N 2 2 347.488 2.053 10 0 EEAELP C[N@H+](C[C@H](O)CC(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189516547 464524074 /nfs/dbraw/zinc/52/40/74/464524074.db2.gz HBLRKTBJGHZRGF-MRXNPFEDSA-N 2 2 345.409 2.334 10 0 EEAELP C[N@@H+](C[C@H](O)CC(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189516547 464524078 /nfs/dbraw/zinc/52/40/78/464524078.db2.gz HBLRKTBJGHZRGF-MRXNPFEDSA-N 2 2 345.409 2.334 10 0 EEAELP COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265446547 464561731 /nfs/dbraw/zinc/56/17/31/464561731.db2.gz ATVCSPBAVXSQKI-UHFFFAOYSA-N 2 2 342.399 2.014 10 0 EEAELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272345580 464572693 /nfs/dbraw/zinc/57/26/93/464572693.db2.gz PMKKJIRJEARXBV-HNNXBMFYSA-N 2 2 327.432 2.071 10 0 EEAELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272345580 464572698 /nfs/dbraw/zinc/57/26/98/464572698.db2.gz PMKKJIRJEARXBV-HNNXBMFYSA-N 2 2 327.432 2.071 10 0 EEAELP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337456768 465380191 /nfs/dbraw/zinc/38/01/91/465380191.db2.gz XMPBDZDLMVICOH-DLBZAZTESA-N 2 2 332.492 2.120 10 0 EEAELP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337456768 465380196 /nfs/dbraw/zinc/38/01/96/465380196.db2.gz XMPBDZDLMVICOH-DLBZAZTESA-N 2 2 332.492 2.120 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@@H](C)C1 ZINC000348637049 465723058 /nfs/dbraw/zinc/72/30/58/465723058.db2.gz TYLVKSBVYMYLOP-GJZGRUSLSA-N 2 2 349.523 2.318 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@@H](C)C1 ZINC000348637049 465723062 /nfs/dbraw/zinc/72/30/62/465723062.db2.gz TYLVKSBVYMYLOP-GJZGRUSLSA-N 2 2 349.523 2.318 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@@H](C)C1 ZINC000348637049 465723069 /nfs/dbraw/zinc/72/30/69/465723069.db2.gz TYLVKSBVYMYLOP-GJZGRUSLSA-N 2 2 349.523 2.318 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@@H](C)C1 ZINC000348637049 465723072 /nfs/dbraw/zinc/72/30/72/465723072.db2.gz TYLVKSBVYMYLOP-GJZGRUSLSA-N 2 2 349.523 2.318 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000349061306 465944897 /nfs/dbraw/zinc/94/48/97/465944897.db2.gz INPJEAWFROPCTB-UHFFFAOYSA-N 2 2 331.464 2.128 10 0 EEAELP OCC[NH2+]C1CCN(c2[nH+]cccc2OCc2ccccc2)CC1 ZINC000357493729 466079126 /nfs/dbraw/zinc/07/91/26/466079126.db2.gz XYAYWWXSTSSZIW-UHFFFAOYSA-N 2 2 327.428 2.211 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000361674543 466193768 /nfs/dbraw/zinc/19/37/68/466193768.db2.gz GAKDHARDKRJBIC-LESCRADOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000361674543 466193770 /nfs/dbraw/zinc/19/37/70/466193770.db2.gz GAKDHARDKRJBIC-LESCRADOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000361674543 466193777 /nfs/dbraw/zinc/19/37/77/466193777.db2.gz GAKDHARDKRJBIC-LESCRADOSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000361674543 466193782 /nfs/dbraw/zinc/19/37/82/466193782.db2.gz GAKDHARDKRJBIC-LESCRADOSA-N 2 2 333.451 2.419 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000372377299 466339705 /nfs/dbraw/zinc/33/97/05/466339705.db2.gz QZHIYKWCUWKFQG-DOTOQJQBSA-N 2 2 332.835 2.488 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000372377299 466339709 /nfs/dbraw/zinc/33/97/09/466339709.db2.gz QZHIYKWCUWKFQG-DOTOQJQBSA-N 2 2 332.835 2.488 10 0 EEAELP CC[N@H+](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000338754669 466356388 /nfs/dbraw/zinc/35/63/88/466356388.db2.gz BSOQQAHUFQVBOA-UHFFFAOYSA-N 2 2 343.475 2.461 10 0 EEAELP CC[N@@H+](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C(C)C ZINC000338754669 466356393 /nfs/dbraw/zinc/35/63/93/466356393.db2.gz BSOQQAHUFQVBOA-UHFFFAOYSA-N 2 2 343.475 2.461 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)C2 ZINC000372455608 466394127 /nfs/dbraw/zinc/39/41/27/466394127.db2.gz PMWZJEXRNISRRD-WMLDXEAASA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)C2 ZINC000372455608 466394137 /nfs/dbraw/zinc/39/41/37/466394137.db2.gz PMWZJEXRNISRRD-WMLDXEAASA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)CC2 ZINC000372455608 466394149 /nfs/dbraw/zinc/39/41/49/466394149.db2.gz PMWZJEXRNISRRD-WMLDXEAASA-N 2 2 332.492 2.437 10 0 EEAELP CCc1oc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000597248440 468495930 /nfs/dbraw/zinc/49/59/30/468495930.db2.gz VVEJVJHARXETQU-AWEZNQCLSA-N 2 2 338.448 2.171 10 0 EEAELP CCc1oc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000597248440 468495936 /nfs/dbraw/zinc/49/59/36/468495936.db2.gz VVEJVJHARXETQU-AWEZNQCLSA-N 2 2 338.448 2.171 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000358265300 466580181 /nfs/dbraw/zinc/58/01/81/466580181.db2.gz ZMYCPHGFXRVGEL-ICSRJNTNSA-N 2 2 330.472 2.435 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000358265300 466580185 /nfs/dbraw/zinc/58/01/85/466580185.db2.gz ZMYCPHGFXRVGEL-ICSRJNTNSA-N 2 2 330.472 2.435 10 0 EEAELP c1sc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1-c1ccncc1 ZINC000422913607 466687261 /nfs/dbraw/zinc/68/72/61/466687261.db2.gz QLIMYYVCQUQTQD-SJLPKXTDSA-N 2 2 344.484 2.104 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657480802 471148801 /nfs/dbraw/zinc/14/88/01/471148801.db2.gz WXDCBTNSZKEQSM-CYBMUJFWSA-N 2 2 332.366 2.364 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657480802 471148806 /nfs/dbraw/zinc/14/88/06/471148806.db2.gz WXDCBTNSZKEQSM-CYBMUJFWSA-N 2 2 332.366 2.364 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000368608929 466688120 /nfs/dbraw/zinc/68/81/20/466688120.db2.gz TUSJOZVXFYXNTO-FGTMMUONSA-N 2 2 336.501 2.313 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000368608929 466688122 /nfs/dbraw/zinc/68/81/22/466688122.db2.gz TUSJOZVXFYXNTO-FGTMMUONSA-N 2 2 336.501 2.313 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657480803 471149110 /nfs/dbraw/zinc/14/91/10/471149110.db2.gz WXDCBTNSZKEQSM-ZDUSSCGKSA-N 2 2 332.366 2.364 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1OC(F)F ZINC000657480803 471149115 /nfs/dbraw/zinc/14/91/15/471149115.db2.gz WXDCBTNSZKEQSM-ZDUSSCGKSA-N 2 2 332.366 2.364 10 0 EEAELP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104016 466694152 /nfs/dbraw/zinc/69/41/52/466694152.db2.gz KXEHMWWFZWEBKJ-IRXDYDNUSA-N 2 2 329.444 2.348 10 0 EEAELP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104016 466694155 /nfs/dbraw/zinc/69/41/55/466694155.db2.gz KXEHMWWFZWEBKJ-IRXDYDNUSA-N 2 2 329.444 2.348 10 0 EEAELP C[C@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000423272343 466708263 /nfs/dbraw/zinc/70/82/63/466708263.db2.gz HWDZEOHEFBDAPZ-AWEZNQCLSA-N 2 2 339.505 2.297 10 0 EEAELP COCC[NH2+]CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423320703 466718092 /nfs/dbraw/zinc/71/80/92/466718092.db2.gz DQXWIZKMSYAJAA-CYBMUJFWSA-N 2 2 327.266 2.132 10 0 EEAELP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000657847162 471240613 /nfs/dbraw/zinc/24/06/13/471240613.db2.gz VGXGLAQFGREBIR-FQEVSTJZSA-N 2 2 347.503 2.467 10 0 EEAELP [NH3+]C1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCCCC1 ZINC000417073199 466770944 /nfs/dbraw/zinc/77/09/44/466770944.db2.gz IDRNFWVJSUABLQ-UHFFFAOYSA-N 2 2 345.491 2.401 10 0 EEAELP O=C(NCc1ccn2cc[nH+]c2c1)NC1CC([NH+]2CCCCC2)C1 ZINC000373389514 466789427 /nfs/dbraw/zinc/78/94/27/466789427.db2.gz DCPGOJDGODRKOH-UHFFFAOYSA-N 2 2 327.432 2.150 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417946698 466999071 /nfs/dbraw/zinc/99/90/71/466999071.db2.gz FQYJBMKGONXVCL-RLCCDNCMSA-N 2 2 340.418 2.137 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417946698 466999077 /nfs/dbraw/zinc/99/90/77/466999077.db2.gz FQYJBMKGONXVCL-RLCCDNCMSA-N 2 2 340.418 2.137 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418472671 467115673 /nfs/dbraw/zinc/11/56/73/467115673.db2.gz NQVZPORDILQSBE-UONOGXRCSA-N 2 2 338.883 2.323 10 0 EEAELP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377769283 467137279 /nfs/dbraw/zinc/13/72/79/467137279.db2.gz UASCUNTYAUACRP-AWEZNQCLSA-N 2 2 343.431 2.029 10 0 EEAELP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377769283 467137281 /nfs/dbraw/zinc/13/72/81/467137281.db2.gz UASCUNTYAUACRP-AWEZNQCLSA-N 2 2 343.431 2.029 10 0 EEAELP CCC(CC)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1CCOCC1 ZINC000378068767 467190409 /nfs/dbraw/zinc/19/04/09/467190409.db2.gz ADEXXXGTMYNTLD-GOSISDBHSA-N 2 2 348.491 2.253 10 0 EEAELP CCC(CC)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1CCOCC1 ZINC000378068767 467190413 /nfs/dbraw/zinc/19/04/13/467190413.db2.gz ADEXXXGTMYNTLD-GOSISDBHSA-N 2 2 348.491 2.253 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420361818 467378695 /nfs/dbraw/zinc/37/86/95/467378695.db2.gz HFBXZVSTJKRFJB-HXUWFJFHSA-N 2 2 345.487 2.166 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420361818 467378699 /nfs/dbraw/zinc/37/86/99/467378699.db2.gz HFBXZVSTJKRFJB-HXUWFJFHSA-N 2 2 345.487 2.166 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000420366664 467380218 /nfs/dbraw/zinc/38/02/18/467380218.db2.gz JLXRLJWWGFXTBC-LIRRHRJNSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000420366664 467380224 /nfs/dbraw/zinc/38/02/24/467380224.db2.gz JLXRLJWWGFXTBC-LIRRHRJNSA-N 2 2 347.459 2.106 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420375941 467384597 /nfs/dbraw/zinc/38/45/97/467384597.db2.gz OQOZJSKJTTVIPV-OXQOHEQNSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420375941 467384599 /nfs/dbraw/zinc/38/45/99/467384599.db2.gz OQOZJSKJTTVIPV-OXQOHEQNSA-N 2 2 327.472 2.035 10 0 EEAELP Cc1nnc(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[nH]1 ZINC000449232830 467624843 /nfs/dbraw/zinc/62/48/43/467624843.db2.gz WIBGBFJGUXONLK-HNNXBMFYSA-N 2 2 327.476 2.341 10 0 EEAELP Cc1nc(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n[nH]1 ZINC000449232830 467624844 /nfs/dbraw/zinc/62/48/44/467624844.db2.gz WIBGBFJGUXONLK-HNNXBMFYSA-N 2 2 327.476 2.341 10 0 EEAELP CCC(CC)[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCCC1 ZINC000457612176 467662556 /nfs/dbraw/zinc/66/25/56/467662556.db2.gz LAJAOPZWWOKZAN-QGZVFWFLSA-N 2 2 335.496 2.162 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000529831308 467916308 /nfs/dbraw/zinc/91/63/08/467916308.db2.gz FUMQBXFHHHXXOP-HKUYNNGSSA-N 2 2 343.471 2.013 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@H]2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000529831308 467916313 /nfs/dbraw/zinc/91/63/13/467916313.db2.gz FUMQBXFHHHXXOP-HKUYNNGSSA-N 2 2 343.471 2.013 10 0 EEAELP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000529831308 467916318 /nfs/dbraw/zinc/91/63/18/467916318.db2.gz FUMQBXFHHHXXOP-HKUYNNGSSA-N 2 2 343.471 2.013 10 0 EEAELP COc1ccc(C[NH+]2CC[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000529831308 467916323 /nfs/dbraw/zinc/91/63/23/467916323.db2.gz FUMQBXFHHHXXOP-HKUYNNGSSA-N 2 2 343.471 2.013 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000531550168 468059449 /nfs/dbraw/zinc/05/94/49/468059449.db2.gz QFFIOLSFYUYWEZ-NHYWBVRUSA-N 2 2 347.850 2.270 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000531550168 468059450 /nfs/dbraw/zinc/05/94/50/468059450.db2.gz QFFIOLSFYUYWEZ-NHYWBVRUSA-N 2 2 347.850 2.270 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000516974101 468061955 /nfs/dbraw/zinc/06/19/55/468061955.db2.gz QYHNZERADYNUBS-HXUWFJFHSA-N 2 2 348.487 2.445 10 0 EEAELP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000567849016 468222698 /nfs/dbraw/zinc/22/26/98/468222698.db2.gz IVUYRVORBYABDW-MJGOQNOKSA-N 2 2 333.451 2.201 10 0 EEAELP C[C@]1(F)C[NH2+]CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000567849016 468222704 /nfs/dbraw/zinc/22/27/04/468222704.db2.gz IVUYRVORBYABDW-MJGOQNOKSA-N 2 2 333.451 2.201 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@H](c1ccccc1)C1CC1 ZINC000569724146 468534696 /nfs/dbraw/zinc/53/46/96/468534696.db2.gz ZLPMDRZBARSJTM-WOJBJXKFSA-N 2 2 327.472 2.329 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@H](c1ccccc1)C1CC1 ZINC000569724146 468534699 /nfs/dbraw/zinc/53/46/99/468534699.db2.gz ZLPMDRZBARSJTM-WOJBJXKFSA-N 2 2 327.472 2.329 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000557113373 468613165 /nfs/dbraw/zinc/61/31/65/468613165.db2.gz ATQQHTQONHQUBT-KRWDZBQOSA-N 2 2 347.850 2.273 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1c1ccccc1 ZINC000571458437 468791016 /nfs/dbraw/zinc/79/10/16/468791016.db2.gz DLFNWVRTVNETMJ-ZVZYQTTQSA-N 2 2 339.443 2.012 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1c1ccccc1 ZINC000571458437 468791020 /nfs/dbraw/zinc/79/10/20/468791020.db2.gz DLFNWVRTVNETMJ-ZVZYQTTQSA-N 2 2 339.443 2.012 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)nc2c1 ZINC000595348607 468820458 /nfs/dbraw/zinc/82/04/58/468820458.db2.gz UGJPRBKFTSQPGD-GXTWGEPZSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)nc2c1 ZINC000595348607 468820460 /nfs/dbraw/zinc/82/04/60/468820460.db2.gz UGJPRBKFTSQPGD-GXTWGEPZSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)nc2c1 ZINC000595348607 468820462 /nfs/dbraw/zinc/82/04/62/468820462.db2.gz UGJPRBKFTSQPGD-GXTWGEPZSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)nc2c1 ZINC000595348607 468820464 /nfs/dbraw/zinc/82/04/64/468820464.db2.gz UGJPRBKFTSQPGD-GXTWGEPZSA-N 2 2 330.432 2.264 10 0 EEAELP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000560911216 468854334 /nfs/dbraw/zinc/85/43/34/468854334.db2.gz XBAPDULZCMHPCM-MIGBEJBISA-N 2 2 336.501 2.205 10 0 EEAELP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000560911216 468854338 /nfs/dbraw/zinc/85/43/38/468854338.db2.gz XBAPDULZCMHPCM-MIGBEJBISA-N 2 2 336.501 2.205 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000561475530 468896472 /nfs/dbraw/zinc/89/64/72/468896472.db2.gz LBCUNZRJUVKPOF-YOEHRIQHSA-N 2 2 341.459 2.430 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000561475530 468896478 /nfs/dbraw/zinc/89/64/78/468896478.db2.gz LBCUNZRJUVKPOF-YOEHRIQHSA-N 2 2 341.459 2.430 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000562376149 468946753 /nfs/dbraw/zinc/94/67/53/468946753.db2.gz WXXFWDVEMVXVJP-UHFFFAOYSA-N 2 2 343.475 2.460 10 0 EEAELP Cc1c[nH+]ccc1CC[NH2+]Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000585117565 468980146 /nfs/dbraw/zinc/98/01/46/468980146.db2.gz LJCCCLRKYBGUQS-UHFFFAOYSA-N 2 2 330.432 2.411 10 0 EEAELP COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000595807996 469022333 /nfs/dbraw/zinc/02/23/33/469022333.db2.gz RFNFQCUKEWJFPU-IBGZPJMESA-N 2 2 343.427 2.335 10 0 EEAELP COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000595807996 469022339 /nfs/dbraw/zinc/02/23/39/469022339.db2.gz RFNFQCUKEWJFPU-IBGZPJMESA-N 2 2 343.427 2.335 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000573767322 469200250 /nfs/dbraw/zinc/20/02/50/469200250.db2.gz LUKNYYHAIZVXHE-UHFFFAOYSA-N 2 2 326.444 2.662 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[NH+](CC2CC2)CC1 ZINC000616059068 469360019 /nfs/dbraw/zinc/36/00/19/469360019.db2.gz PCNAXPGVMQTLTG-UHFFFAOYSA-N 2 2 347.850 2.225 10 0 EEAELP CC1([NH+]2CCOCC2)CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000625959452 469449187 /nfs/dbraw/zinc/44/91/87/469449187.db2.gz QOKYMCIEOAHLLN-UHFFFAOYSA-N 2 2 348.487 2.269 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCc2c(O)cccc2C1 ZINC000626026645 469473984 /nfs/dbraw/zinc/47/39/84/469473984.db2.gz SNNNAEOGRPNXNI-SFHVURJKSA-N 2 2 326.440 2.243 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCc2c(O)cccc2C1 ZINC000626026645 469473987 /nfs/dbraw/zinc/47/39/87/469473987.db2.gz SNNNAEOGRPNXNI-SFHVURJKSA-N 2 2 326.440 2.243 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026645 469473990 /nfs/dbraw/zinc/47/39/90/469473990.db2.gz SNNNAEOGRPNXNI-SFHVURJKSA-N 2 2 326.440 2.243 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626026645 469473995 /nfs/dbraw/zinc/47/39/95/469473995.db2.gz SNNNAEOGRPNXNI-SFHVURJKSA-N 2 2 326.440 2.243 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629584954 469584526 /nfs/dbraw/zinc/58/45/26/469584526.db2.gz HAEJIAOJFXOGCP-BGYRXZFFSA-N 2 2 345.487 2.021 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629584954 469584531 /nfs/dbraw/zinc/58/45/31/469584531.db2.gz HAEJIAOJFXOGCP-BGYRXZFFSA-N 2 2 345.487 2.021 10 0 EEAELP C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584510 469584582 /nfs/dbraw/zinc/58/45/82/469584582.db2.gz AFWWXYBIIPNPGD-XMCHAPAWSA-N 2 2 338.455 2.493 10 0 EEAELP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584510 469584584 /nfs/dbraw/zinc/58/45/84/469584584.db2.gz AFWWXYBIIPNPGD-XMCHAPAWSA-N 2 2 338.455 2.493 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592865 469588547 /nfs/dbraw/zinc/58/85/47/469588547.db2.gz FOUUBVIEYUCSIR-QRQLOZEOSA-N 2 2 331.460 2.344 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592865 469588549 /nfs/dbraw/zinc/58/85/49/469588549.db2.gz FOUUBVIEYUCSIR-QRQLOZEOSA-N 2 2 331.460 2.344 10 0 EEAELP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606198871 469594657 /nfs/dbraw/zinc/59/46/57/469594657.db2.gz KCMUEIZYXBDKLG-UHFFFAOYSA-N 2 2 328.416 2.308 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540275 469618448 /nfs/dbraw/zinc/61/84/48/469618448.db2.gz FHKHYSKGDIDODY-RTWAWAEBSA-N 3 2 345.531 2.430 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540275 469618451 /nfs/dbraw/zinc/61/84/51/469618451.db2.gz FHKHYSKGDIDODY-RTWAWAEBSA-N 3 2 345.531 2.430 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606540275 469618452 /nfs/dbraw/zinc/61/84/52/469618452.db2.gz FHKHYSKGDIDODY-RTWAWAEBSA-N 3 2 345.531 2.430 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375311 469697775 /nfs/dbraw/zinc/69/77/75/469697775.db2.gz AUTNHFHDGNNOEH-ZNMIVQPWSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375311 469697780 /nfs/dbraw/zinc/69/77/80/469697780.db2.gz AUTNHFHDGNNOEH-ZNMIVQPWSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375311 469697783 /nfs/dbraw/zinc/69/77/83/469697783.db2.gz AUTNHFHDGNNOEH-ZNMIVQPWSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375311 469697788 /nfs/dbraw/zinc/69/77/88/469697788.db2.gz AUTNHFHDGNNOEH-ZNMIVQPWSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[NH2+]1 ZINC000626928727 469757924 /nfs/dbraw/zinc/75/79/24/469757924.db2.gz CHYMBWPONLFUSP-ZBFHGGJFSA-N 2 2 331.464 2.012 10 0 EEAELP C[C@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C[NH2+]1 ZINC000626996345 469782687 /nfs/dbraw/zinc/78/26/87/469782687.db2.gz PSDMCKMINNVAJK-RDJZCZTQSA-N 2 2 341.459 2.066 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC000617763712 469795561 /nfs/dbraw/zinc/79/55/61/469795561.db2.gz YDQHLMOGDSMUGT-HXUWFJFHSA-N 2 2 331.504 2.354 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(c2ccccc2)CC1(C)C ZINC000617763712 469795563 /nfs/dbraw/zinc/79/55/63/469795563.db2.gz YDQHLMOGDSMUGT-HXUWFJFHSA-N 2 2 331.504 2.354 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC000617764067 469795701 /nfs/dbraw/zinc/79/57/01/469795701.db2.gz HPLKHJWCKKHXLE-UHFFFAOYSA-N 2 2 327.419 2.412 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC000617764067 469795708 /nfs/dbraw/zinc/79/57/08/469795708.db2.gz HPLKHJWCKKHXLE-UHFFFAOYSA-N 2 2 327.419 2.412 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccc2ccccc2n1 ZINC000617768464 469798567 /nfs/dbraw/zinc/79/85/67/469798567.db2.gz FFFTZGAFBOTIII-UHFFFAOYSA-N 2 2 342.487 2.167 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccc2ccccc2n1 ZINC000617768464 469798571 /nfs/dbraw/zinc/79/85/71/469798571.db2.gz FFFTZGAFBOTIII-UHFFFAOYSA-N 2 2 342.487 2.167 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1sccc1Br ZINC000617767325 469798827 /nfs/dbraw/zinc/79/88/27/469798827.db2.gz PGODVELYBKXMFI-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1sccc1Br ZINC000617767325 469798831 /nfs/dbraw/zinc/79/88/31/469798831.db2.gz PGODVELYBKXMFI-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP CCOCC[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623945403 469802948 /nfs/dbraw/zinc/80/29/48/469802948.db2.gz MPVRFYXUMKVQLK-UHFFFAOYSA-N 2 2 325.416 2.041 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccccc1 ZINC000608727610 469868732 /nfs/dbraw/zinc/86/87/32/469868732.db2.gz RCTFQBMNFJQAPL-QGZVFWFLSA-N 2 2 341.459 2.051 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000608727610 469868736 /nfs/dbraw/zinc/86/87/36/469868736.db2.gz RCTFQBMNFJQAPL-QGZVFWFLSA-N 2 2 341.459 2.051 10 0 EEAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000624227042 469880287 /nfs/dbraw/zinc/88/02/87/469880287.db2.gz DUMHBVIXWQTWAG-CRAIPNDOSA-N 2 2 333.476 2.183 10 0 EEAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](O)C2)cc1 ZINC000624227042 469880290 /nfs/dbraw/zinc/88/02/90/469880290.db2.gz DUMHBVIXWQTWAG-CRAIPNDOSA-N 2 2 333.476 2.183 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000630778656 469988993 /nfs/dbraw/zinc/98/89/93/469988993.db2.gz PJOMOYWMTDOWOZ-UHFFFAOYSA-N 2 2 338.455 2.405 10 0 EEAELP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000624936754 470047729 /nfs/dbraw/zinc/04/77/29/470047729.db2.gz SUZPNDQJQDYWQF-LBPRGKRZSA-N 2 2 335.414 2.250 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000628062778 470049876 /nfs/dbraw/zinc/04/98/76/470049876.db2.gz PIXVUWHOYIJZGK-FGTMMUONSA-N 2 2 349.906 2.225 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000628062778 470049878 /nfs/dbraw/zinc/04/98/78/470049878.db2.gz PIXVUWHOYIJZGK-FGTMMUONSA-N 2 2 349.906 2.225 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000625226062 470098097 /nfs/dbraw/zinc/09/80/97/470098097.db2.gz OEIBVDIEYVIQTB-ZIAGYGMSSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000625226062 470098098 /nfs/dbraw/zinc/09/80/98/470098098.db2.gz OEIBVDIEYVIQTB-ZIAGYGMSSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000625226062 470098101 /nfs/dbraw/zinc/09/81/01/470098101.db2.gz OEIBVDIEYVIQTB-ZIAGYGMSSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000625226062 470098103 /nfs/dbraw/zinc/09/81/03/470098103.db2.gz OEIBVDIEYVIQTB-ZIAGYGMSSA-N 2 2 335.414 2.203 10 0 EEAELP CCc1ccc([C@H](C[NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)[NH+](C)C)cc1 ZINC000634636934 470272494 /nfs/dbraw/zinc/27/24/94/470272494.db2.gz MGGVDJWPUURHPA-UFYCRDLUSA-N 2 2 334.504 2.353 10 0 EEAELP O[C@@]1(C[NH+]2CC(Cc3ccco3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634651268 470275195 /nfs/dbraw/zinc/27/51/95/470275195.db2.gz KGCAALSBELWRRJ-FQEVSTJZSA-N 2 2 326.440 2.391 10 0 EEAELP O[C@@]1(C[NH+]2CC(Cc3ccco3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634651268 470275196 /nfs/dbraw/zinc/27/51/96/470275196.db2.gz KGCAALSBELWRRJ-FQEVSTJZSA-N 2 2 326.440 2.391 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634702689 470281880 /nfs/dbraw/zinc/28/18/80/470281880.db2.gz KJIJLWWTQGWOBP-KBPBESRZSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cc(Cl)cc(Cl)c2)C1 ZINC000634702689 470281881 /nfs/dbraw/zinc/28/18/81/470281881.db2.gz KJIJLWWTQGWOBP-KBPBESRZSA-N 2 2 333.259 2.417 10 0 EEAELP C[C@H](C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCSCC1 ZINC000633524461 470495382 /nfs/dbraw/zinc/49/53/82/470495382.db2.gz ZFWINXQHGMNGKX-CYBMUJFWSA-N 2 2 330.457 2.130 10 0 EEAELP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641860207 470502353 /nfs/dbraw/zinc/50/23/53/470502353.db2.gz TYCHMOXBAXOVLV-HSWBROFVSA-N 2 2 336.867 2.243 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCF ZINC000647209124 470858590 /nfs/dbraw/zinc/85/85/90/470858590.db2.gz UXFJRHVQLZATFB-NVXWUHKLSA-N 2 2 333.451 2.247 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)NCCF ZINC000647209124 470858595 /nfs/dbraw/zinc/85/85/95/470858595.db2.gz UXFJRHVQLZATFB-NVXWUHKLSA-N 2 2 333.451 2.247 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644548184 470980103 /nfs/dbraw/zinc/98/01/03/470980103.db2.gz SMLFMJCLJOHANY-KGLIPLIRSA-N 2 2 332.366 2.129 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644548184 470980107 /nfs/dbraw/zinc/98/01/07/470980107.db2.gz SMLFMJCLJOHANY-KGLIPLIRSA-N 2 2 332.366 2.129 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901734 471012037 /nfs/dbraw/zinc/01/20/37/471012037.db2.gz UMOPWXXWFOIKCL-LZLYRXPVSA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901734 471012039 /nfs/dbraw/zinc/01/20/39/471012039.db2.gz UMOPWXXWFOIKCL-LZLYRXPVSA-N 2 2 345.487 2.336 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(F)c(OC)cc1OC ZINC000651699063 471087443 /nfs/dbraw/zinc/08/74/43/471087443.db2.gz GBSMWKZLQHFMLU-CQSZACIVSA-N 2 2 326.412 2.043 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(F)c(OC)cc1OC ZINC000651699063 471087451 /nfs/dbraw/zinc/08/74/51/471087451.db2.gz GBSMWKZLQHFMLU-CQSZACIVSA-N 2 2 326.412 2.043 10 0 EEAELP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CO1 ZINC000657331361 471100637 /nfs/dbraw/zinc/10/06/37/471100637.db2.gz ZUUQOVIDOVAHFR-QZTJIDSGSA-N 2 2 334.460 2.055 10 0 EEAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654665679 471120349 /nfs/dbraw/zinc/12/03/49/471120349.db2.gz QUNWEIOIJCRKIX-OWCLPIDISA-N 2 2 333.480 2.480 10 0 EEAELP c1cn(-c2csc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)cn1 ZINC000657753228 471227627 /nfs/dbraw/zinc/22/76/27/471227627.db2.gz VNEBINXZVNMANW-OAHLLOKOSA-N 2 2 332.473 2.277 10 0 EEAELP c1cn(-c2csc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2)c[nH+]1 ZINC000657753228 471227632 /nfs/dbraw/zinc/22/76/32/471227632.db2.gz VNEBINXZVNMANW-OAHLLOKOSA-N 3 2 332.473 2.277 10 0 EEAELP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CCO1 ZINC000657802399 471236117 /nfs/dbraw/zinc/23/61/17/471236117.db2.gz ZSVHMXXFAZEMEH-HSALFYBXSA-N 2 2 331.504 2.350 10 0 EEAELP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCO1 ZINC000657802399 471236120 /nfs/dbraw/zinc/23/61/20/471236120.db2.gz ZSVHMXXFAZEMEH-HSALFYBXSA-N 2 2 331.504 2.350 10 0 EEAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658054623 471263328 /nfs/dbraw/zinc/26/33/28/471263328.db2.gz FOIMOVALZQWWTE-DZGCQCFKSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658054623 471263330 /nfs/dbraw/zinc/26/33/30/471263330.db2.gz FOIMOVALZQWWTE-DZGCQCFKSA-N 2 2 339.505 2.118 10 0 EEAELP Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341233 471274197 /nfs/dbraw/zinc/27/41/97/471274197.db2.gz VSGDXFOJPAVKQP-FQEVSTJZSA-N 2 2 335.451 2.314 10 0 EEAELP Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341233 471274199 /nfs/dbraw/zinc/27/41/99/471274199.db2.gz VSGDXFOJPAVKQP-FQEVSTJZSA-N 2 2 335.451 2.314 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000658200155 471276330 /nfs/dbraw/zinc/27/63/30/471276330.db2.gz JYRGPEPLMPLDGV-HRCADAONSA-N 2 2 328.522 2.196 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000658200155 471276331 /nfs/dbraw/zinc/27/63/31/471276331.db2.gz JYRGPEPLMPLDGV-HRCADAONSA-N 2 2 328.522 2.196 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2SC)C[C@H]1C[NH3+] ZINC000652358236 471279003 /nfs/dbraw/zinc/27/90/03/471279003.db2.gz NJVAHCJNLAPTDB-GZBFAFLISA-N 2 2 337.489 2.031 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2SC)C[C@H]1C[NH3+] ZINC000652358236 471279005 /nfs/dbraw/zinc/27/90/05/471279005.db2.gz NJVAHCJNLAPTDB-GZBFAFLISA-N 2 2 337.489 2.031 10 0 EEAELP COCC[NH+]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000663362406 471341090 /nfs/dbraw/zinc/34/10/90/471341090.db2.gz MVFLHAQENINPLQ-UHFFFAOYSA-N 2 2 331.416 2.020 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000666333828 471361971 /nfs/dbraw/zinc/36/19/71/471361971.db2.gz QJQHJYAZTJDJJF-YJBOKZPZSA-N 2 2 332.492 2.387 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000666333828 471361976 /nfs/dbraw/zinc/36/19/76/471361976.db2.gz QJQHJYAZTJDJJF-YJBOKZPZSA-N 2 2 332.492 2.387 10 0 EEAELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658647 471432986 /nfs/dbraw/zinc/43/29/86/471432986.db2.gz FRZUDAQLFBKRQZ-GDBMZVCRSA-N 2 2 347.425 2.205 10 0 EEAELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658647 471432992 /nfs/dbraw/zinc/43/29/92/471432992.db2.gz FRZUDAQLFBKRQZ-GDBMZVCRSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658647 471432994 /nfs/dbraw/zinc/43/29/94/471432994.db2.gz FRZUDAQLFBKRQZ-GDBMZVCRSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C2 ZINC000660658647 471432998 /nfs/dbraw/zinc/43/29/98/471432998.db2.gz FRZUDAQLFBKRQZ-GDBMZVCRSA-N 2 2 347.425 2.205 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000655686848 471443389 /nfs/dbraw/zinc/44/33/89/471443389.db2.gz QTNGPYHSZAFHNR-DOTOQJQBSA-N 2 2 347.507 2.299 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655724509 471457603 /nfs/dbraw/zinc/45/76/03/471457603.db2.gz ZBLDJKWJJDGGMY-MSOLQXFVSA-N 2 2 345.487 2.117 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000655736268 471461194 /nfs/dbraw/zinc/46/11/94/471461194.db2.gz FCTJFEYPJYXCRE-BEFAXECRSA-N 2 2 341.459 2.171 10 0 EEAELP CC(C)[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000667012367 471622546 /nfs/dbraw/zinc/62/25/46/471622546.db2.gz CFVQKQLYOJSASU-ROUUACIJSA-N 2 2 336.524 2.231 10 0 EEAELP CC(C)[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000667012367 471622551 /nfs/dbraw/zinc/62/25/51/471622551.db2.gz CFVQKQLYOJSASU-ROUUACIJSA-N 2 2 336.524 2.231 10 0 EEAELP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667252235 471710814 /nfs/dbraw/zinc/71/08/14/471710814.db2.gz CYJPNJHGIKUZRF-WBVHZDCISA-N 2 2 341.459 2.397 10 0 EEAELP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)c1[nH+]ccn1C ZINC000667256754 471711625 /nfs/dbraw/zinc/71/16/25/471711625.db2.gz STBOZLBMPNSTKF-AWEZNQCLSA-N 2 2 347.438 2.394 10 0 EEAELP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1[nH+]ccn1C ZINC000667254267 471711662 /nfs/dbraw/zinc/71/16/62/471711662.db2.gz OSOHMGMKGGVDHZ-CYBMUJFWSA-N 2 2 335.477 2.316 10 0 EEAELP C[N@@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)[C@H](C[NH3+])C1 ZINC000667378574 471758764 /nfs/dbraw/zinc/75/87/64/471758764.db2.gz SHWVNYZMAPGOHS-SECBINFHSA-N 2 2 332.782 2.384 10 0 EEAELP C[N@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)[C@H](C[NH3+])C1 ZINC000667378574 471758768 /nfs/dbraw/zinc/75/87/68/471758768.db2.gz SHWVNYZMAPGOHS-SECBINFHSA-N 2 2 332.782 2.384 10 0 EEAELP c1nc(N2CCSCC2)cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH+]1 ZINC000656607448 471779425 /nfs/dbraw/zinc/77/94/25/471779425.db2.gz BFOGEVMUYDTNBO-MRXNPFEDSA-N 2 2 347.532 2.246 10 0 EEAELP c1nc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000656607448 471779428 /nfs/dbraw/zinc/77/94/28/471779428.db2.gz BFOGEVMUYDTNBO-MRXNPFEDSA-N 2 2 347.532 2.246 10 0 EEAELP O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667506627 471803527 /nfs/dbraw/zinc/80/35/27/471803527.db2.gz KDWYHRSPAZYTGY-INIZCTEOSA-N 2 2 339.443 2.006 10 0 EEAELP O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667506627 471803535 /nfs/dbraw/zinc/80/35/35/471803535.db2.gz KDWYHRSPAZYTGY-INIZCTEOSA-N 2 2 339.443 2.006 10 0 EEAELP C[C@@]12COC[C@@H]1C[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000661705656 471858414 /nfs/dbraw/zinc/85/84/14/471858414.db2.gz WPEAUUDYCGHGKR-AZUAARDMSA-N 2 2 329.488 2.167 10 0 EEAELP C[C@@]12COC[C@@H]1C[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000661705656 471858419 /nfs/dbraw/zinc/85/84/19/471858419.db2.gz WPEAUUDYCGHGKR-AZUAARDMSA-N 2 2 329.488 2.167 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+]2CCCC2)o1 ZINC000667862778 471930351 /nfs/dbraw/zinc/93/03/51/471930351.db2.gz DUTGWCBLCQZXTA-PBHICJAKSA-N 2 2 342.443 2.369 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[NH+]2CCCC2)o1 ZINC000667862778 471930355 /nfs/dbraw/zinc/93/03/55/471930355.db2.gz DUTGWCBLCQZXTA-PBHICJAKSA-N 2 2 342.443 2.369 10 0 EEAELP C[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2C1 ZINC000667950250 471959320 /nfs/dbraw/zinc/95/93/20/471959320.db2.gz MZIJVPNYMLKIAW-CQSZACIVSA-N 2 2 338.455 2.047 10 0 EEAELP C[NH+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCC[N@H+](C)C3)c2C1 ZINC000667950250 471959323 /nfs/dbraw/zinc/95/93/23/471959323.db2.gz MZIJVPNYMLKIAW-CQSZACIVSA-N 2 2 338.455 2.047 10 0 EEAELP C[NH+]1CCC[C@@H](NC(=O)c2c3ccccc3nc3c2C[N@H+](C)CC3)C1 ZINC000667950250 471959327 /nfs/dbraw/zinc/95/93/27/471959327.db2.gz MZIJVPNYMLKIAW-CQSZACIVSA-N 2 2 338.455 2.047 10 0 EEAELP C[NH+]1CCC[C@@H](NC(=O)c2c3ccccc3nc3c2C[N@@H+](C)CC3)C1 ZINC000667950250 471959330 /nfs/dbraw/zinc/95/93/30/471959330.db2.gz MZIJVPNYMLKIAW-CQSZACIVSA-N 2 2 338.455 2.047 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662320335 472069386 /nfs/dbraw/zinc/06/93/86/472069386.db2.gz SYRSWUMOAJPZFS-PKOBYXMFSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662320335 472069391 /nfs/dbraw/zinc/06/93/91/472069391.db2.gz SYRSWUMOAJPZFS-PKOBYXMFSA-N 2 2 347.503 2.042 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668587258 472185666 /nfs/dbraw/zinc/18/56/66/472185666.db2.gz LDVPNOZPCGPDSU-OAHLLOKOSA-N 2 2 341.455 2.279 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668587258 472185669 /nfs/dbraw/zinc/18/56/69/472185669.db2.gz LDVPNOZPCGPDSU-OAHLLOKOSA-N 2 2 341.455 2.279 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CCC(C4CC4)CC3)C2)CC1 ZINC000668638729 472203936 /nfs/dbraw/zinc/20/39/36/472203936.db2.gz BCCIMSXRZAIVMP-DAWZGUTISA-N 2 2 333.520 2.488 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CCC(C4CC4)CC3)C2)CC1 ZINC000668638729 472203942 /nfs/dbraw/zinc/20/39/42/472203942.db2.gz BCCIMSXRZAIVMP-DAWZGUTISA-N 2 2 333.520 2.488 10 0 EEAELP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)C1 ZINC000668740048 472247221 /nfs/dbraw/zinc/24/72/21/472247221.db2.gz FZKRSURBVDJWHR-HNNXBMFYSA-N 2 2 344.484 2.236 10 0 EEAELP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cnc(-c4ccccn4)s3)CC2)C1 ZINC000668740048 472247229 /nfs/dbraw/zinc/24/72/29/472247229.db2.gz FZKRSURBVDJWHR-HNNXBMFYSA-N 2 2 344.484 2.236 10 0 EEAELP CCOc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1C ZINC000665957973 472251416 /nfs/dbraw/zinc/25/14/16/472251416.db2.gz GDOXEQXQBMAGJN-UHFFFAOYSA-N 2 2 336.480 2.399 10 0 EEAELP CCOc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1C ZINC000665957973 472251422 /nfs/dbraw/zinc/25/14/22/472251422.db2.gz GDOXEQXQBMAGJN-UHFFFAOYSA-N 2 2 336.480 2.399 10 0 EEAELP OCCNc1nc(NCCCNc2cccc[nH+]2)[nH+]c2ccccc21 ZINC000678708462 485481829 /nfs/dbraw/zinc/48/18/29/485481829.db2.gz WKTQRFAXDPPLMQ-UHFFFAOYSA-N 2 2 338.415 2.343 10 0 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FPQIDGJRXWBWFK-PMACEKPBSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000682220417 486437968 /nfs/dbraw/zinc/43/79/68/486437968.db2.gz FPQIDGJRXWBWFK-PMACEKPBSA-N 2 2 332.488 2.370 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c[nH+]1 ZINC000173762705 528302463 /nfs/dbraw/zinc/30/24/63/528302463.db2.gz TWYOCPKSSWANLX-KRWDZBQOSA-N 2 2 343.475 2.084 10 0 EEAELP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000495081281 534971716 /nfs/dbraw/zinc/97/17/16/534971716.db2.gz GAIUHJRMENKYRL-OAHLLOKOSA-N 2 2 339.549 2.385 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000759891400 577653121 /nfs/dbraw/zinc/65/31/21/577653121.db2.gz GBXQAWBUVCPBEF-QGZVFWFLSA-N 2 2 330.407 2.088 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=S)NCC[NH+](C)C)c(C)c1 ZINC000749736312 577980912 /nfs/dbraw/zinc/98/09/12/577980912.db2.gz QAZBZILQDKRTFS-QGZVFWFLSA-N 2 2 345.516 2.267 10 0 EEAELP c1nnn2c1C[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)CCC2 ZINC000895756013 684712506 /nfs/dbraw/zinc/71/25/06/684712506.db2.gz BGCHQCOCTKWOCN-UHFFFAOYSA-N 2 2 341.459 2.159 10 0 EEAELP c1nnn2c1C[N@@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)CCC2 ZINC000895756013 684712509 /nfs/dbraw/zinc/71/25/09/684712509.db2.gz BGCHQCOCTKWOCN-UHFFFAOYSA-N 2 2 341.459 2.159 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924785740 694181827 /nfs/dbraw/zinc/18/18/27/694181827.db2.gz PPTAFTAFCDWZHW-UHFFFAOYSA-N 2 2 341.525 2.124 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924785740 694181830 /nfs/dbraw/zinc/18/18/30/694181830.db2.gz PPTAFTAFCDWZHW-UHFFFAOYSA-N 2 2 341.525 2.124 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000925332634 692849002 /nfs/dbraw/zinc/84/90/02/692849002.db2.gz PZNSSDZTOOETKT-FMKPAKJESA-N 2 2 336.505 2.229 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000925332634 692849006 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ITMYXGIGBLNLMX-NWDGAFQWSA-N 2 2 341.393 2.246 10 0 EEAELP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266748757 1177343488 /nfs/dbraw/zinc/34/34/88/1177343488.db2.gz MKVAWOIEFCTMFL-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(NC[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001691101065 1177578547 /nfs/dbraw/zinc/57/85/47/1177578547.db2.gz ODCZZCYPXBTMTJ-OTVXOJSOSA-N 2 2 342.443 2.230 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001267298246 1178708593 /nfs/dbraw/zinc/70/85/93/1178708593.db2.gz LTZFIJDZGQGLBZ-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001267298246 1178708598 /nfs/dbraw/zinc/70/85/98/1178708598.db2.gz LTZFIJDZGQGLBZ-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCn2cc(Cl)cn2)c(C)[nH+]1 ZINC001267407796 1178981284 /nfs/dbraw/zinc/98/12/84/1178981284.db2.gz RHYNUEJSMUKZCZ-UHFFFAOYSA-N 2 2 349.866 2.219 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1nocc1C ZINC001481012447 1179492175 /nfs/dbraw/zinc/49/21/75/1179492175.db2.gz ZDYVRGPWEJILFG-CVEARBPZSA-N 2 2 336.480 2.042 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1nocc1C ZINC001481012447 1179492179 /nfs/dbraw/zinc/49/21/79/1179492179.db2.gz ZDYVRGPWEJILFG-CVEARBPZSA-N 2 2 336.480 2.042 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC001481039293 1179592540 /nfs/dbraw/zinc/59/25/40/1179592540.db2.gz LJTVQILIXMWMCK-SZTZYQKNSA-N 2 2 336.867 2.095 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC001481039293 1179592546 /nfs/dbraw/zinc/59/25/46/1179592546.db2.gz LJTVQILIXMWMCK-SZTZYQKNSA-N 2 2 336.867 2.095 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001481104317 1179748035 /nfs/dbraw/zinc/74/80/35/1179748035.db2.gz VVIXFGBSNPQORN-INIZCTEOSA-N 2 2 344.503 2.371 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001481104317 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2 349.519 2.034 10 0 EEAELP CC/C=C/CC[NH+]1CC(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001481639634 1182010875 /nfs/dbraw/zinc/01/08/75/1182010875.db2.gz BXNJQJSFRZVNHB-GNAXCBTBSA-N 2 2 349.519 2.034 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001481683372 1182202421 /nfs/dbraw/zinc/20/24/21/1182202421.db2.gz RNLGTHVOVHEXOS-HOTGVXAUSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001481683372 1182202428 /nfs/dbraw/zinc/20/24/28/1182202428.db2.gz RNLGTHVOVHEXOS-HOTGVXAUSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001481683372 1182202431 /nfs/dbraw/zinc/20/24/31/1182202431.db2.gz RNLGTHVOVHEXOS-HOTGVXAUSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001268373127 1182379137 /nfs/dbraw/zinc/37/91/37/1182379137.db2.gz ALRLKYOOLLBGPS-LLVKDONJSA-N 2 2 327.388 2.158 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CCn1cc[nH+]c1 ZINC001268384756 1182420045 /nfs/dbraw/zinc/42/00/45/1182420045.db2.gz RDIRTLGTVIDSRI-CYBMUJFWSA-N 2 2 335.839 2.006 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001481742331 1182471954 /nfs/dbraw/zinc/47/19/54/1182471954.db2.gz CLPPBGVWEKOHDE-GJZGRUSLSA-N 2 2 347.488 2.332 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001481742331 1182471956 /nfs/dbraw/zinc/47/19/56/1182471956.db2.gz CLPPBGVWEKOHDE-GJZGRUSLSA-N 2 2 347.488 2.332 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001481826856 1182756186 /nfs/dbraw/zinc/75/61/86/1182756186.db2.gz UZSGWXLCNNWWSD-NVXWUHKLSA-N 2 2 344.434 2.269 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001481862009 1182830729 /nfs/dbraw/zinc/83/07/29/1182830729.db2.gz RGUAASWBXHUARQ-NHYWBVRUSA-N 2 2 348.397 2.402 10 0 EEAELP CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001268492279 1182987990 /nfs/dbraw/zinc/98/79/90/1182987990.db2.gz YDLRQJTWUQAXIB-UHFFFAOYSA-N 2 2 349.866 2.374 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH2+]CCc1ccccc1)C1CC1 ZINC001481948327 1183015869 /nfs/dbraw/zinc/01/58/69/1183015869.db2.gz PYAWJOGWTMPCLG-HXUWFJFHSA-N 2 2 340.471 2.378 10 0 EEAELP COCC[NH2+]CC[C@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481978459 1183068169 /nfs/dbraw/zinc/06/81/69/1183068169.db2.gz HMKXBDRNOPWHPQ-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001268558824 1183254209 /nfs/dbraw/zinc/25/42/09/1183254209.db2.gz ABEINYJZORNIJR-ZMUQKWFASA-N 2 2 338.455 2.216 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C/CNC(=O)C23CCC[NH+]2CCC3)o1 ZINC001268563751 1183267106 /nfs/dbraw/zinc/26/71/06/1183267106.db2.gz PFPKTRHUNQGOMZ-ONEGZZNKSA-N 2 2 346.475 2.188 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccsc1 ZINC001268591720 1183393473 /nfs/dbraw/zinc/39/34/73/1183393473.db2.gz BKPKDTNMTJDWRV-OKYAQOQYSA-N 2 2 330.457 2.047 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001269929243 1184724781 /nfs/dbraw/zinc/72/47/81/1184724781.db2.gz ZVFKTNQYDDDDDU-KRWDZBQOSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1nc(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001422562079 1185238420 /nfs/dbraw/zinc/23/84/20/1185238420.db2.gz NDPDSFXCMNSJSN-OLZOCXBDSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)[C@@H](C)CNC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001422562079 1185238426 /nfs/dbraw/zinc/23/84/26/1185238426.db2.gz NDPDSFXCMNSJSN-OLZOCXBDSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]2CC[C@@H](C)C2)c(C)s1 ZINC001422562079 1185238431 /nfs/dbraw/zinc/23/84/31/1185238431.db2.gz NDPDSFXCMNSJSN-OLZOCXBDSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]2CC[C@@H](C)C2)c(C)s1 ZINC001422562079 1185238437 /nfs/dbraw/zinc/23/84/37/1185238437.db2.gz NDPDSFXCMNSJSN-OLZOCXBDSA-N 2 2 338.521 2.038 10 0 EEAELP COCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001271508099 1186277139 /nfs/dbraw/zinc/27/71/39/1186277139.db2.gz KWCQBLVJTYRNSY-WBVHZDCISA-N 2 2 333.476 2.484 10 0 EEAELP CC[C@@H](C[NH2+]CC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1)OC ZINC001482834272 1187753955 /nfs/dbraw/zinc/75/39/55/1187753955.db2.gz TVUWEIJNTQJYFF-BBRMVZONSA-N 2 2 332.448 2.166 10 0 EEAELP C[C@H](CC[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482886097 1187802524 /nfs/dbraw/zinc/80/25/24/1187802524.db2.gz QSSINZXVWRLMEN-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001483010049 1187993413 /nfs/dbraw/zinc/99/34/13/1187993413.db2.gz YWMNTTCTDUDJRL-XPQDNOAISA-N 2 2 346.475 2.044 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2coc(C3CC3)n2)CC[N@H+]1C ZINC001483010049 1187993417 /nfs/dbraw/zinc/99/34/17/1187993417.db2.gz YWMNTTCTDUDJRL-XPQDNOAISA-N 2 2 346.475 2.044 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1ccccc1Cl ZINC001483045030 1188243025 /nfs/dbraw/zinc/24/30/25/1188243025.db2.gz LQIFPQZEZPLIRT-ARJAWSKDSA-N 2 2 332.835 2.389 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483129201 1188611870 /nfs/dbraw/zinc/61/18/70/1188611870.db2.gz AAJZTULQFWSABP-KDOFPFPSSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001483129201 1188611873 /nfs/dbraw/zinc/61/18/73/1188611873.db2.gz AAJZTULQFWSABP-KDOFPFPSSA-N 2 2 347.507 2.465 10 0 EEAELP CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001272894659 1193594445 /nfs/dbraw/zinc/59/44/45/1193594445.db2.gz SQFBQMXQTDZTNE-SFHVURJKSA-N 2 2 339.524 2.116 10 0 EEAELP CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001272894659 1193594447 /nfs/dbraw/zinc/59/44/47/1193594447.db2.gz SQFBQMXQTDZTNE-SFHVURJKSA-N 2 2 339.524 2.116 10 0 EEAELP Cc1oncc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001409461657 1189711076 /nfs/dbraw/zinc/71/10/76/1189711076.db2.gz ZQXGNFBTJWRMAP-HUUCEWRRSA-N 2 2 345.447 2.084 10 0 EEAELP Cc1oncc1C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001409461657 1189711079 /nfs/dbraw/zinc/71/10/79/1189711079.db2.gz ZQXGNFBTJWRMAP-HUUCEWRRSA-N 2 2 345.447 2.084 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]CCCc1ccsc1 ZINC001485950220 1193646305 /nfs/dbraw/zinc/64/63/05/1193646305.db2.gz YYWQITOMGAHWTI-ZDUSSCGKSA-N 2 2 334.489 2.391 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccns1 ZINC001409565934 1190041980 /nfs/dbraw/zinc/04/19/80/1190041980.db2.gz FEZIGVDQZGUAKT-KBPBESRZSA-N 2 2 349.504 2.490 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccns1 ZINC001409565934 1190041985 /nfs/dbraw/zinc/04/19/85/1190041985.db2.gz FEZIGVDQZGUAKT-KBPBESRZSA-N 2 2 349.504 2.490 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCCn1cc[nH+]c1 ZINC001483299427 1190322824 /nfs/dbraw/zinc/32/28/24/1190322824.db2.gz WWDGCDQXZXJYDU-ZDUSSCGKSA-N 2 2 335.839 2.006 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483356355 1190394966 /nfs/dbraw/zinc/39/49/66/1190394966.db2.gz LXYNQSPPKYMWMG-DOTOQJQBSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483356355 1190394971 /nfs/dbraw/zinc/39/49/71/1190394971.db2.gz LXYNQSPPKYMWMG-DOTOQJQBSA-N 2 2 344.503 2.462 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483393249 1190437631 /nfs/dbraw/zinc/43/76/31/1190437631.db2.gz OOBOWHKPCJCHGF-HOCLYGCPSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483393249 1190437632 /nfs/dbraw/zinc/43/76/32/1190437632.db2.gz OOBOWHKPCJCHGF-HOCLYGCPSA-N 2 2 336.480 2.184 10 0 EEAELP CN(CCC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483476693 1190498454 /nfs/dbraw/zinc/49/84/54/1190498454.db2.gz GZZHDZFKCMBQGO-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(N[C@H](C[NH2+]CC1CCCC1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001483569746 1190558831 /nfs/dbraw/zinc/55/88/31/1190558831.db2.gz CCMYFSQPXURHHL-DLBZAZTESA-N 2 2 330.476 2.120 10 0 EEAELP C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1cncc(F)c1)C1CC1)n1cc[nH+]c1 ZINC001483589946 1190576627 /nfs/dbraw/zinc/57/66/27/1190576627.db2.gz KFNFXXUAKUPIDW-GUYCJALGSA-N 2 2 345.422 2.053 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001486124507 1193688778 /nfs/dbraw/zinc/68/87/78/1193688778.db2.gz QNYRITSSXBVDLE-LPHOPBHVSA-N 2 2 340.471 2.472 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001484446067 1191359499 /nfs/dbraw/zinc/35/94/99/1191359499.db2.gz GJYWJACYRBJWND-WDPZBSBESA-N 2 2 348.491 2.134 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001484446067 1191359502 /nfs/dbraw/zinc/35/95/02/1191359502.db2.gz GJYWJACYRBJWND-WDPZBSBESA-N 2 2 348.491 2.134 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)sc1C ZINC001484540903 1191406118 /nfs/dbraw/zinc/40/61/18/1191406118.db2.gz ZKOKSJKMFLSZTR-AWEZNQCLSA-N 2 2 347.488 2.054 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]C[C@H]2CCCCO2)C1)c1c[nH+]c[nH]1 ZINC001484547267 1191408449 /nfs/dbraw/zinc/40/84/49/1191408449.db2.gz PEPDIEZBWGKOBS-HZPDHXFCSA-N 2 2 348.491 2.085 10 0 EEAELP O=C(NCC1([NH2+]CCCF)CCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001484646763 1191452745 /nfs/dbraw/zinc/45/27/45/1191452745.db2.gz WGMUEOPRKLDVEB-UHFFFAOYSA-N 2 2 330.407 2.474 10 0 EEAELP CC(C)(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001484681221 1191464928 /nfs/dbraw/zinc/46/49/28/1191464928.db2.gz UYBQVQUEYXCGSU-BZUAXINKSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)(C)CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001484681221 1191464931 /nfs/dbraw/zinc/46/49/31/1191464931.db2.gz UYBQVQUEYXCGSU-BZUAXINKSA-N 2 2 348.491 2.157 10 0 EEAELP CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1CC)O2 ZINC001484781018 1191517798 /nfs/dbraw/zinc/51/77/98/1191517798.db2.gz ANBWJNFEYZHMSG-JKSUJKDBSA-N 2 2 348.491 2.156 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001485200089 1191683096 /nfs/dbraw/zinc/68/30/96/1191683096.db2.gz HYMCPZVJJCLAOM-UONOGXRCSA-N 2 2 326.444 2.124 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001485336208 1191740442 /nfs/dbraw/zinc/74/04/42/1191740442.db2.gz KREXITZUCREMQF-ZIAGYGMSSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001485336208 1191740443 /nfs/dbraw/zinc/74/04/43/1191740443.db2.gz KREXITZUCREMQF-ZIAGYGMSSA-N 2 2 328.407 2.145 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cscn1)CC2 ZINC001486153179 1193703271 /nfs/dbraw/zinc/70/32/71/1193703271.db2.gz CMMOAVXPKGPYBY-NVXWUHKLSA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cscn1)CC2 ZINC001486153179 1193703273 /nfs/dbraw/zinc/70/32/73/1193703273.db2.gz CMMOAVXPKGPYBY-NVXWUHKLSA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC001486153179 1193703275 /nfs/dbraw/zinc/70/32/75/1193703275.db2.gz CMMOAVXPKGPYBY-NVXWUHKLSA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC001486153179 1193703277 /nfs/dbraw/zinc/70/32/77/1193703277.db2.gz CMMOAVXPKGPYBY-NVXWUHKLSA-N 2 2 336.505 2.097 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]CCC(F)(F)F)[C@@H]2C1 ZINC001486167446 1193709517 /nfs/dbraw/zinc/70/95/17/1193709517.db2.gz PXPRWWNHYGIUME-MJBXVCDLSA-N 2 2 344.381 2.052 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)CCn1cc[nH+]c1 ZINC001272943110 1193892591 /nfs/dbraw/zinc/89/25/91/1193892591.db2.gz FWARWYFGZXHEBT-MRXNPFEDSA-N 2 2 340.471 2.447 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)C1CC([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001486473380 1193987595 /nfs/dbraw/zinc/98/75/95/1193987595.db2.gz NXIYNMMUDOULOO-WLYUNCDWSA-N 2 2 340.418 2.288 10 0 EEAELP O[C@@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000702645460 1196068987 /nfs/dbraw/zinc/06/89/87/1196068987.db2.gz XNYRQVXWNANWTR-PKOBYXMFSA-N 2 2 326.444 2.014 10 0 EEAELP O[C@@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000702645460 1196068991 /nfs/dbraw/zinc/06/89/91/1196068991.db2.gz XNYRQVXWNANWTR-PKOBYXMFSA-N 2 2 326.444 2.014 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001409976571 1196097609 /nfs/dbraw/zinc/09/76/09/1196097609.db2.gz RBVJSTXNFNMAAE-KGLIPLIRSA-N 2 2 330.407 2.220 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[N@H+](CC2CCCC2)CC1(C)C ZINC001410024339 1197434791 /nfs/dbraw/zinc/43/47/91/1197434791.db2.gz QFLVZXPILMFYRH-KRWDZBQOSA-N 2 2 332.492 2.370 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[N@@H+](CC2CCCC2)CC1(C)C ZINC001410024339 1197434793 /nfs/dbraw/zinc/43/47/93/1197434793.db2.gz QFLVZXPILMFYRH-KRWDZBQOSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001410373540 1197767187 /nfs/dbraw/zinc/76/71/87/1197767187.db2.gz FJSAVEPDTLNSAP-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP C[NH2+][C@@H](C)Cc1noc([C@@H]([NH3+])c2cccc(Br)c2)n1 ZINC000871788162 1197904436 /nfs/dbraw/zinc/90/44/36/1197904436.db2.gz GJXDWMUOSVSYGI-UFBFGSQYSA-N 2 2 325.210 2.031 10 0 EEAELP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911794 1198565516 /nfs/dbraw/zinc/56/55/16/1198565516.db2.gz SBRWHSIOCDKJKR-APWZRJJASA-N 2 2 348.491 2.266 10 0 EEAELP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911794 1198565518 /nfs/dbraw/zinc/56/55/18/1198565518.db2.gz SBRWHSIOCDKJKR-APWZRJJASA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911794 1198565523 /nfs/dbraw/zinc/56/55/23/1198565523.db2.gz SBRWHSIOCDKJKR-APWZRJJASA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911794 1198565527 /nfs/dbraw/zinc/56/55/27/1198565527.db2.gz SBRWHSIOCDKJKR-APWZRJJASA-N 2 2 348.491 2.266 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@H]2C1 ZINC001410908526 1198574059 /nfs/dbraw/zinc/57/40/59/1198574059.db2.gz CNPPILZBYXOGQY-WVYCAXHGSA-N 2 2 336.867 2.242 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)[C@H]2C)co1 ZINC001410919235 1198583129 /nfs/dbraw/zinc/58/31/29/1198583129.db2.gz GDSIRWVJHBHXFN-QAPCUYQASA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)[C@H]2C)co1 ZINC001410919235 1198583130 /nfs/dbraw/zinc/58/31/30/1198583130.db2.gz GDSIRWVJHBHXFN-QAPCUYQASA-N 2 2 348.491 2.328 10 0 EEAELP C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001411251517 1198973728 /nfs/dbraw/zinc/97/37/28/1198973728.db2.gz JYYHJRVDDRTPNC-CQSZACIVSA-N 2 2 336.455 2.451 10 0 EEAELP C[C@@H](F)CC[NH+]1CCC(C2(NC(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001411251517 1198973734 /nfs/dbraw/zinc/97/37/34/1198973734.db2.gz JYYHJRVDDRTPNC-CQSZACIVSA-N 2 2 336.455 2.451 10 0 EEAELP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866233546 1201472904 /nfs/dbraw/zinc/47/29/04/1201472904.db2.gz VOYXCZNVTLUMCY-IEBWSBKVSA-N 2 2 335.467 2.466 10 0 EEAELP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866233546 1201472905 /nfs/dbraw/zinc/47/29/05/1201472905.db2.gz VOYXCZNVTLUMCY-IEBWSBKVSA-N 2 2 335.467 2.466 10 0 EEAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866705071 1201585501 /nfs/dbraw/zinc/58/55/01/1201585501.db2.gz ZYTHRZVQJRFBRW-GOSISDBHSA-N 2 2 333.432 2.051 10 0 EEAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866705071 1201585504 /nfs/dbraw/zinc/58/55/04/1201585504.db2.gz ZYTHRZVQJRFBRW-GOSISDBHSA-N 2 2 333.432 2.051 10 0 EEAELP C[NH+](C)C1(C)CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000868436678 1201812341 /nfs/dbraw/zinc/81/23/41/1201812341.db2.gz VXOXCVAHDPEDRJ-KOHRHEQBSA-N 2 2 345.491 2.222 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001274735768 1205146999 /nfs/dbraw/zinc/14/69/99/1205146999.db2.gz IWFTWUTUXMTSOA-NSHDSACASA-N 2 2 327.388 2.158 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001275280542 1205298009 /nfs/dbraw/zinc/29/80/09/1205298009.db2.gz OZDSUGVLIHXGRZ-FUHWJXTLSA-N 2 2 339.524 2.160 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001275280542 1205298010 /nfs/dbraw/zinc/29/80/10/1205298010.db2.gz OZDSUGVLIHXGRZ-FUHWJXTLSA-N 2 2 339.524 2.160 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCOCC3CC3)ccn12 ZINC001275402584 1205341158 /nfs/dbraw/zinc/34/11/58/1205341158.db2.gz AIMBMEXDXHWUIN-GJZGRUSLSA-N 2 2 344.459 2.166 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001275505549 1205388004 /nfs/dbraw/zinc/38/80/04/1205388004.db2.gz XNGGWVUWIZKDIN-HZPDHXFCSA-N 2 2 344.459 2.131 10 0 EEAELP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)[nH+]c2)C1 ZINC000925634651 1206138250 /nfs/dbraw/zinc/13/82/50/1206138250.db2.gz PEVAZFRGMPYALJ-OGWHTMIXSA-N 3 2 343.519 2.410 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(OCC3CC3)cc2)CC1 ZINC000926036133 1206184612 /nfs/dbraw/zinc/18/46/12/1206184612.db2.gz DQCLEQKGRMMLHE-UHFFFAOYSA-N 2 2 332.448 2.020 10 0 EEAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000926408234 1206219362 /nfs/dbraw/zinc/21/93/62/1206219362.db2.gz BMUXIXUFUDJIKF-RJCAOGMDSA-N 2 2 349.450 2.266 10 0 EEAELP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000926408234 1206219363 /nfs/dbraw/zinc/21/93/63/1206219363.db2.gz BMUXIXUFUDJIKF-RJCAOGMDSA-N 2 2 349.450 2.266 10 0 EEAELP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576421 1206568105 /nfs/dbraw/zinc/56/81/05/1206568105.db2.gz KGBWSDQFQSWGSI-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576421 1206568106 /nfs/dbraw/zinc/56/81/06/1206568106.db2.gz KGBWSDQFQSWGSI-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576421 1206568107 /nfs/dbraw/zinc/56/81/07/1206568107.db2.gz KGBWSDQFQSWGSI-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576421 1206568108 /nfs/dbraw/zinc/56/81/08/1206568108.db2.gz KGBWSDQFQSWGSI-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP O[C@@H](CCC1(O)CCC1)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706974 1207445323 /nfs/dbraw/zinc/44/53/23/1207445323.db2.gz LARYKUYDSUJVQD-ROUUACIJSA-N 2 2 329.444 2.270 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000933739839 1207830617 /nfs/dbraw/zinc/83/06/17/1207830617.db2.gz NGNHXGCUJDLAQD-QBIMZIAESA-N 2 2 333.863 2.329 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000933739839 1207830620 /nfs/dbraw/zinc/83/06/20/1207830620.db2.gz NGNHXGCUJDLAQD-QBIMZIAESA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000933739839 1207830622 /nfs/dbraw/zinc/83/06/22/1207830622.db2.gz NGNHXGCUJDLAQD-QBIMZIAESA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000933739839 1207830626 /nfs/dbraw/zinc/83/06/26/1207830626.db2.gz NGNHXGCUJDLAQD-QBIMZIAESA-N 2 2 333.863 2.329 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)CCN(C)c2cc[nH+]cc2)c1C ZINC000779480121 1210392328 /nfs/dbraw/zinc/39/23/28/1210392328.db2.gz CHPRGYWERRWTCW-UHFFFAOYSA-N 2 2 328.416 2.245 10 0 EEAELP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900522473 1234441305 /nfs/dbraw/zinc/44/13/05/1234441305.db2.gz DKDTZRSRAHAGLH-MRXNPFEDSA-N 2 2 343.475 2.455 10 0 EEAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900522473 1234441309 /nfs/dbraw/zinc/44/13/09/1234441309.db2.gz DKDTZRSRAHAGLH-MRXNPFEDSA-N 2 2 343.475 2.455 10 0 EEAELP C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903087705 1239699218 /nfs/dbraw/zinc/69/92/18/1239699218.db2.gz HAQKZHPRYFDOKI-YOEHRIQHSA-N 2 2 333.457 2.490 10 0 EEAELP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001491031393 1258588332 /nfs/dbraw/zinc/58/83/32/1258588332.db2.gz DWPIMIVEYUXHHE-XAXOSQJESA-N 2 2 330.476 2.429 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC001491222507 1258791638 /nfs/dbraw/zinc/79/16/38/1258791638.db2.gz BKSQXTMOTFUNDT-HNNXBMFYSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1F ZINC001491222507 1258791640 /nfs/dbraw/zinc/79/16/40/1258791640.db2.gz BKSQXTMOTFUNDT-HNNXBMFYSA-N 2 2 339.430 2.387 10 0 EEAELP CC(C)OCC[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001491365609 1259007707 /nfs/dbraw/zinc/00/77/07/1259007707.db2.gz GAXFFLVEDIUUFE-FHERZECASA-N 2 2 336.480 2.030 10 0 EEAELP CC(C)OCC[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001491365609 1259007716 /nfs/dbraw/zinc/00/77/16/1259007716.db2.gz GAXFFLVEDIUUFE-FHERZECASA-N 2 2 336.480 2.030 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001273841356 1286674988 /nfs/dbraw/zinc/67/49/88/1286674988.db2.gz SKHMZTUDVTZKFL-IBGZPJMESA-N 2 2 348.491 2.082 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001273841356 1286675004 /nfs/dbraw/zinc/67/50/04/1286675004.db2.gz SKHMZTUDVTZKFL-IBGZPJMESA-N 2 2 348.491 2.082 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)Cc1cccc(F)c1 ZINC001490216915 1291090375 /nfs/dbraw/zinc/09/03/75/1291090375.db2.gz IRZVRTQCETXSIS-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)Cc1cccc(F)c1 ZINC001490216915 1291090389 /nfs/dbraw/zinc/09/03/89/1291090389.db2.gz IRZVRTQCETXSIS-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000852122661 1291999817 /nfs/dbraw/zinc/99/98/17/1291999817.db2.gz PJMFXHLXKVLXCB-GOSISDBHSA-N 2 2 338.467 2.240 10 0 EEAELP c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000857846369 1293929156 /nfs/dbraw/zinc/92/91/56/1293929156.db2.gz YOGPPFZCQOFFFF-SFHVURJKSA-N 2 2 326.444 2.409 10 0 EEAELP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccnc(F)c2)c2ccccc2)CC1 ZINC000858123073 1294012328 /nfs/dbraw/zinc/01/23/28/1294012328.db2.gz WTLZRKPBPXRPMO-GOSISDBHSA-N 2 2 328.435 2.299 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ccon1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277218375 1301876699 /nfs/dbraw/zinc/87/66/99/1301876699.db2.gz QDCOEKBVOWKHDG-GFCCVEGCSA-N 2 2 327.388 2.239 10 0 EEAELP C[N@H+](CCOCC1CC1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001277441681 1303031369 /nfs/dbraw/zinc/03/13/69/1303031369.db2.gz RXEYJLCOFMQTAA-UHFFFAOYSA-N 2 2 348.491 2.037 10 0 EEAELP C[N@@H+](CCOCC1CC1)C1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001277441681 1303031372 /nfs/dbraw/zinc/03/13/72/1303031372.db2.gz RXEYJLCOFMQTAA-UHFFFAOYSA-N 2 2 348.491 2.037 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCC(F)(F)C3)CC2)CC1 ZINC000797846687 1304858533 /nfs/dbraw/zinc/85/85/33/1304858533.db2.gz KZONUUVAXFNVLY-AWEZNQCLSA-N 2 2 343.462 2.487 10 0 EEAELP COCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001278251173 1308914927 /nfs/dbraw/zinc/91/49/27/1308914927.db2.gz LXUVIDXPRKXHNO-NVXWUHKLSA-N 2 2 344.459 2.262 10 0 EEAELP CCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001278651667 1317565296 /nfs/dbraw/zinc/56/52/96/1317565296.db2.gz QTORYECMNYYFIT-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)Cc2[nH]cc[nH+]2)o1 ZINC001263958652 1322570617 /nfs/dbraw/zinc/57/06/17/1322570617.db2.gz OYEIVRLGXHOECQ-CJNGLKHVSA-N 2 2 345.447 2.056 10 0 EEAELP COCCCCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001264683433 1322782708 /nfs/dbraw/zinc/78/27/08/1322782708.db2.gz CYFMPOHQLIHCAN-MRXNPFEDSA-N 2 2 336.480 2.130 10 0 EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2cscn2)C1 ZINC001265025738 1322869201 /nfs/dbraw/zinc/86/92/01/1322869201.db2.gz GEHUJGYNFHPHTK-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2cscn2)C1 ZINC001265025738 1322869204 /nfs/dbraw/zinc/86/92/04/1322869204.db2.gz GEHUJGYNFHPHTK-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@H+](C)Cc2cscn2)C1 ZINC001265025738 1322869207 /nfs/dbraw/zinc/86/92/07/1322869207.db2.gz GEHUJGYNFHPHTK-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc2cscn2)C1 ZINC001265025738 1322869213 /nfs/dbraw/zinc/86/92/13/1322869213.db2.gz GEHUJGYNFHPHTK-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)CCCC[NH+](C)C)co1 ZINC001265655470 1323300597 /nfs/dbraw/zinc/30/05/97/1323300597.db2.gz IQQOPRMWIGRZCM-KRWDZBQOSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)CCCC[NH+](C)C)co1 ZINC001265655470 1323300603 /nfs/dbraw/zinc/30/06/03/1323300603.db2.gz IQQOPRMWIGRZCM-KRWDZBQOSA-N 2 2 336.480 2.186 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cc2ccccc2o1 ZINC001265929415 1323494004 /nfs/dbraw/zinc/49/40/04/1323494004.db2.gz PJCRDXCHLFRHAS-UHFFFAOYSA-N 2 2 326.400 2.337 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cc2ccccc2o1 ZINC001265929415 1323494008 /nfs/dbraw/zinc/49/40/08/1323494008.db2.gz PJCRDXCHLFRHAS-UHFFFAOYSA-N 2 2 326.400 2.337 10 0 EEAELP CCOCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266059457 1323611978 /nfs/dbraw/zinc/61/19/78/1323611978.db2.gz JBICIIXLJAVVLH-GJZGRUSLSA-N 2 2 330.432 2.230 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001266070742 1323625648 /nfs/dbraw/zinc/62/56/48/1323625648.db2.gz DVMZIARGFKCRDV-DLBZAZTESA-N 2 2 348.491 2.176 10 0 EEAELP COCCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001279116019 1323834540 /nfs/dbraw/zinc/83/45/40/1323834540.db2.gz YCCOMRCIFQJDAT-GOEBONIOSA-N 2 2 344.459 2.287 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ncc(C)s2)CC1)[NH+](C)C ZINC001279675832 1323976806 /nfs/dbraw/zinc/97/68/06/1323976806.db2.gz NGZMNGKOQMEVJT-HNNXBMFYSA-N 2 2 336.505 2.040 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2ncc(C)s2)CC1)[NH+](C)C ZINC001279675832 1323976811 /nfs/dbraw/zinc/97/68/11/1323976811.db2.gz NGZMNGKOQMEVJT-HNNXBMFYSA-N 2 2 336.505 2.040 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001280207383 1324114750 /nfs/dbraw/zinc/11/47/50/1324114750.db2.gz KDZUHPZZJGWYNH-CQSZACIVSA-N 2 2 330.407 2.120 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001280455659 1324235576 /nfs/dbraw/zinc/23/55/76/1324235576.db2.gz UGPMTOXRAHYLEX-CQSZACIVSA-N 2 2 332.473 2.227 10 0 EEAELP CC(C)COCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282157934 1325636613 /nfs/dbraw/zinc/63/66/13/1325636613.db2.gz VTKNKSKEFJDAJS-LSDHHAIUSA-N 2 2 332.448 2.103 10 0 EEAELP C[C@@H](CCC[NH2+]C[C@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001283205058 1325954698 /nfs/dbraw/zinc/95/46/98/1325954698.db2.gz NVDLPKNBXGHURG-JKSUJKDBSA-N 2 2 344.459 2.392 10 0 EEAELP C[C@@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001283205104 1325954738 /nfs/dbraw/zinc/95/47/38/1325954738.db2.gz WMNNEFKAWBOART-QWHCGFSZSA-N 2 2 346.397 2.272 10 0 EEAELP C[NH+](CC=C(Cl)Cl)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491963888 1330358411 /nfs/dbraw/zinc/35/84/11/1330358411.db2.gz RUQWFHUHQVJJIZ-STQMWFEESA-N 2 2 334.291 2.180 10 0 EEAELP C[NH+](CC=C(Cl)Cl)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001491963888 1330358417 /nfs/dbraw/zinc/35/84/17/1330358417.db2.gz RUQWFHUHQVJJIZ-STQMWFEESA-N 2 2 334.291 2.180 10 0 EEAELP C[N@H+](CC=C(Cl)Cl)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001491963888 1330358404 /nfs/dbraw/zinc/35/84/04/1330358404.db2.gz RUQWFHUHQVJJIZ-STQMWFEESA-N 2 2 334.291 2.180 10 0 EEAELP C[N@@H+](CC=C(Cl)Cl)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001491963888 1330358410 /nfs/dbraw/zinc/35/84/10/1330358410.db2.gz RUQWFHUHQVJJIZ-STQMWFEESA-N 2 2 334.291 2.180 10 0 EEAELP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001492035876 1330459634 /nfs/dbraw/zinc/45/96/34/1330459634.db2.gz RVLWGEGFOYPYQO-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001492035876 1330459636 /nfs/dbraw/zinc/45/96/36/1330459636.db2.gz RVLWGEGFOYPYQO-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cc(C)ccc1F ZINC001316903774 1331969340 /nfs/dbraw/zinc/96/93/40/1331969340.db2.gz HAWMXJZQJPDWJU-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cc(C)ccc1F ZINC001316903774 1331969343 /nfs/dbraw/zinc/96/93/43/1331969343.db2.gz HAWMXJZQJPDWJU-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317137172 1332094341 /nfs/dbraw/zinc/09/43/41/1332094341.db2.gz FYKDZTBICJGLPW-ARFHVFGLSA-N 2 2 336.455 2.481 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+](CCCCCF)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317137172 1332094343 /nfs/dbraw/zinc/09/43/43/1332094343.db2.gz FYKDZTBICJGLPW-ARFHVFGLSA-N 2 2 336.455 2.481 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+](CCCCCF)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317137172 1332094345 /nfs/dbraw/zinc/09/43/45/1332094345.db2.gz FYKDZTBICJGLPW-ARFHVFGLSA-N 2 2 336.455 2.481 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+](CCCCCF)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317137172 1332094348 /nfs/dbraw/zinc/09/43/48/1332094348.db2.gz FYKDZTBICJGLPW-ARFHVFGLSA-N 2 2 336.455 2.481 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001317205157 1332132453 /nfs/dbraw/zinc/13/24/53/1332132453.db2.gz DQFGSKUVCQNLOM-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001317205157 1332132455 /nfs/dbraw/zinc/13/24/55/1332132455.db2.gz DQFGSKUVCQNLOM-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP CC[C@H](C(=O)NC1CCC([NH2+]CC(F)(F)C(F)F)CC1)[NH+](C)C ZINC001317220868 1332142246 /nfs/dbraw/zinc/14/22/46/1332142246.db2.gz MUJDEIQPQJEAEE-HTAVTVPLSA-N 2 2 341.393 2.244 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317501920 1332268062 /nfs/dbraw/zinc/26/80/62/1332268062.db2.gz FUFHZIPWPBQTTF-NMBNSIPYSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317501920 1332268065 /nfs/dbraw/zinc/26/80/65/1332268065.db2.gz FUFHZIPWPBQTTF-NMBNSIPYSA-N 2 2 330.476 2.382 10 0 EEAELP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317841443 1332428512 /nfs/dbraw/zinc/42/85/12/1332428512.db2.gz CQASGALWIKLMME-DLBZAZTESA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317841443 1332428515 /nfs/dbraw/zinc/42/85/15/1332428515.db2.gz CQASGALWIKLMME-DLBZAZTESA-N 2 2 332.492 2.416 10 0 EEAELP COCC[NH2+]C[C@@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001318744024 1332586611 /nfs/dbraw/zinc/58/66/11/1332586611.db2.gz JBZYCKYAYKERBP-BEFAXECRSA-N 2 2 344.459 2.249 10 0 EEAELP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)CCc1[nH+]ccn1C ZINC001320802006 1332956241 /nfs/dbraw/zinc/95/62/41/1332956241.db2.gz PMLKGLHAFVIVKQ-UHFFFAOYSA-N 2 2 334.489 2.361 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001320931153 1332982198 /nfs/dbraw/zinc/98/21/98/1332982198.db2.gz AFYLTSFYFJHSQR-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)oc1C ZINC001321064176 1333009065 /nfs/dbraw/zinc/00/90/65/1333009065.db2.gz LNMMPRWXVFCPIH-VOTSOKGWSA-N 2 2 348.491 2.318 10 0 EEAELP COc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2[nH]cc[nH+]2)cc1Cl ZINC001321305237 1333069496 /nfs/dbraw/zinc/06/94/96/1333069496.db2.gz BODDRXPGSXZEOL-IHWYPQMZSA-N 2 2 348.834 2.076 10 0 EEAELP C[C@@H](C[N@H+](C)CC[C@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322167645 1333220843 /nfs/dbraw/zinc/22/08/43/1333220843.db2.gz DRYRYCSRLNGXBD-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](C[N@@H+](C)CC[C@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322167645 1333220845 /nfs/dbraw/zinc/22/08/45/1333220845.db2.gz DRYRYCSRLNGXBD-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](C[N@H+](C)CC[C@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322167645 1333220846 /nfs/dbraw/zinc/22/08/46/1333220846.db2.gz DRYRYCSRLNGXBD-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](C[N@@H+](C)CC[C@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322167645 1333220848 /nfs/dbraw/zinc/22/08/48/1333220848.db2.gz DRYRYCSRLNGXBD-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001322806523 1333331115 /nfs/dbraw/zinc/33/11/15/1333331115.db2.gz NYKSIORCZGCHPC-GFCCVEGCSA-N 2 2 347.290 2.283 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001325562048 1333912069 /nfs/dbraw/zinc/91/20/69/1333912069.db2.gz QTWSKIATWFPDRB-HOCLYGCPSA-N 2 2 346.500 2.331 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001326446536 1334095570 /nfs/dbraw/zinc/09/55/70/1334095570.db2.gz OXNWZDDSMISETR-HUUCEWRRSA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001326447321 1334095882 /nfs/dbraw/zinc/09/58/82/1334095882.db2.gz SRNZBVKFUVOERU-SFHVURJKSA-N 2 2 344.434 2.381 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001327922274 1334364010 /nfs/dbraw/zinc/36/40/10/1334364010.db2.gz DECHXQFZUGKXTN-FUHWJXTLSA-N 2 2 340.471 2.330 10 0 EEAELP CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]c[nH+]c1C ZINC001328694083 1334500296 /nfs/dbraw/zinc/50/02/96/1334500296.db2.gz QBXOOBJJJGEWLK-IEBWSBKVSA-N 2 2 326.444 2.433 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CC(C[NH2+]CCc2ccccc2)C1 ZINC001328892123 1334542241 /nfs/dbraw/zinc/54/22/41/1334542241.db2.gz FGLSTRIAJKBDTR-UHFFFAOYSA-N 2 2 326.444 2.000 10 0 EEAELP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001331297429 1334992792 /nfs/dbraw/zinc/99/27/92/1334992792.db2.gz RIXKBBJJVNRSTR-IAGOWNOFSA-N 2 2 330.476 2.072 10 0 EEAELP C/C(=C/c1cccnc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485116 1338096611 /nfs/dbraw/zinc/09/66/11/1338096611.db2.gz JZBJYDKUPZTKQJ-AGWAZZAUSA-N 2 2 342.487 2.112 10 0 EEAELP C/C(=C/c1cccnc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485116 1338096613 /nfs/dbraw/zinc/09/66/13/1338096613.db2.gz JZBJYDKUPZTKQJ-AGWAZZAUSA-N 2 2 342.487 2.112 10 0 EEAELP C[C@H](C[N@H+](C)CCCCC(F)(F)F)NC(=O)Cc1c[nH+]cn1C ZINC001669910997 1356237262 /nfs/dbraw/zinc/23/72/62/1356237262.db2.gz SFXMXZUPYLPCPQ-GFCCVEGCSA-N 2 2 334.386 2.132 10 0 EEAELP C[C@H](C[N@@H+](C)CCCCC(F)(F)F)NC(=O)Cc1c[nH+]cn1C ZINC001669910997 1356237275 /nfs/dbraw/zinc/23/72/75/1356237275.db2.gz SFXMXZUPYLPCPQ-GFCCVEGCSA-N 2 2 334.386 2.132 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC001670148780 1356285800 /nfs/dbraw/zinc/28/58/00/1356285800.db2.gz HLWXMEFZGQXYQM-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP COCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001566692097 1342604032 /nfs/dbraw/zinc/60/40/32/1342604032.db2.gz AAONNSOYMWCWSJ-IRXDYDNUSA-N 2 2 348.491 2.232 10 0 EEAELP COCCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001567764264 1342835307 /nfs/dbraw/zinc/83/53/07/1342835307.db2.gz NRQCMBADHXTFHO-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP COCCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001567764264 1342835314 /nfs/dbraw/zinc/83/53/14/1342835314.db2.gz NRQCMBADHXTFHO-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@H](C[NH2+]CC[C@H]2CCCO2)CC1 ZINC001569865467 1342962406 /nfs/dbraw/zinc/96/24/06/1342962406.db2.gz ZHODIPBALIFGMP-JFIYKMOQSA-N 2 2 348.491 2.034 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001570342116 1343057785 /nfs/dbraw/zinc/05/77/85/1343057785.db2.gz NEAKRJTZYOHDDZ-WBVHZDCISA-N 2 2 330.476 2.165 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001677290953 1357308068 /nfs/dbraw/zinc/30/80/68/1357308068.db2.gz FISGZOZKCBMFCF-CYBMUJFWSA-N 2 2 349.866 2.321 10 0 EEAELP CCNc1cc(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc[nH+]1 ZINC001646951944 1353068907 /nfs/dbraw/zinc/06/89/07/1353068907.db2.gz ZIHMFVBVNRGTOT-GDBMZVCRSA-N 2 2 333.480 2.385 10 0 EEAELP CCNc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc[nH+]1 ZINC001646951944 1353068909 /nfs/dbraw/zinc/06/89/09/1353068909.db2.gz ZIHMFVBVNRGTOT-GDBMZVCRSA-N 2 2 333.480 2.385 10 0 EEAELP CNc1cc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC001646962650 1353075391 /nfs/dbraw/zinc/07/53/91/1353075391.db2.gz JVCVKYHRIXIWKL-INIZCTEOSA-N 2 2 331.464 2.283 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001656899500 1354296423 /nfs/dbraw/zinc/29/64/23/1354296423.db2.gz PVJLCXWSJVSOGZ-ARFHVFGLSA-N 2 2 336.455 2.244 10 0 EEAELP CCOC(=O)COCC[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001657415265 1354339081 /nfs/dbraw/zinc/33/90/81/1354339081.db2.gz BWFFGRUZSZPRRW-UHFFFAOYSA-N 2 2 349.475 2.200 10 0 EEAELP CCOC(=O)COCC[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC001657415265 1354339084 /nfs/dbraw/zinc/33/90/84/1354339084.db2.gz BWFFGRUZSZPRRW-UHFFFAOYSA-N 2 2 349.475 2.200 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CC1CC(C)C1 ZINC001660550516 1354487484 /nfs/dbraw/zinc/48/74/84/1354487484.db2.gz IQGRALMQZWOERT-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CC1CC(C)C1 ZINC001660550516 1354487486 /nfs/dbraw/zinc/48/74/86/1354487486.db2.gz IQGRALMQZWOERT-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001661640161 1354667978 /nfs/dbraw/zinc/66/79/78/1354667978.db2.gz FJLVGVAFUBQBSG-GGNMTOOJSA-N 2 2 349.519 2.223 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001661640161 1354667984 /nfs/dbraw/zinc/66/79/84/1354667984.db2.gz FJLVGVAFUBQBSG-GGNMTOOJSA-N 2 2 349.519 2.223 10 0 EEAELP CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001661871612 1354715805 /nfs/dbraw/zinc/71/58/05/1354715805.db2.gz VXGYWGGBPCVYEC-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001661871612 1354715810 /nfs/dbraw/zinc/71/58/10/1354715810.db2.gz VXGYWGGBPCVYEC-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001661871612 1354715812 /nfs/dbraw/zinc/71/58/12/1354715812.db2.gz VXGYWGGBPCVYEC-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001661871612 1354715816 /nfs/dbraw/zinc/71/58/16/1354715816.db2.gz VXGYWGGBPCVYEC-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CN(CC[NH2+]CCCc1ccc(Cl)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001664269003 1355126383 /nfs/dbraw/zinc/12/63/83/1355126383.db2.gz ZBBSQDHVOIVLPW-UHFFFAOYSA-N 2 2 334.851 2.286 10 0 EEAELP COCCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001664818489 1355235387 /nfs/dbraw/zinc/23/53/87/1355235387.db2.gz UKWAMJHTULFSRH-HNNXBMFYSA-N 2 2 344.459 2.383 10 0 EEAELP COCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001664818489 1355235390 /nfs/dbraw/zinc/23/53/90/1355235390.db2.gz UKWAMJHTULFSRH-HNNXBMFYSA-N 2 2 344.459 2.383 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001666458712 1355528240 /nfs/dbraw/zinc/52/82/40/1355528240.db2.gz NAGXESMIOYCRNJ-JHJVBQTASA-N 2 2 344.381 2.057 10 0 EEAELP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001666937416 1355618543 /nfs/dbraw/zinc/61/85/43/1355618543.db2.gz BTMWUKWMNYMHMH-HUUCEWRRSA-N 2 2 346.500 2.186 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1CC[NH2+]CCC[C@@H]1CCOC1 ZINC001667295993 1355701697 /nfs/dbraw/zinc/70/16/97/1355701697.db2.gz HRUNERYXZFDDLU-SJORKVTESA-N 2 2 348.491 2.130 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)CCc1c[nH+]cn1C ZINC001668629270 1355975738 /nfs/dbraw/zinc/97/57/38/1355975738.db2.gz HEEXGKCWJBMUNG-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ncc(C(C)(C)C)o1 ZINC001669021213 1356069710 /nfs/dbraw/zinc/06/97/10/1356069710.db2.gz SIBOUTPGIUOTFK-WBTMPAOCSA-N 2 2 336.480 2.247 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]cn2C)cs1 ZINC001669167443 1356114633 /nfs/dbraw/zinc/11/46/33/1356114633.db2.gz NCHBCDQNHCSXHH-ARJAWSKDSA-N 2 2 332.473 2.185 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(F)cc1F ZINC001670261362 1356306902 /nfs/dbraw/zinc/30/69/02/1356306902.db2.gz LBSPCBPSIIURAB-LBPRGKRZSA-N 2 2 336.386 2.430 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001671684275 1356393951 /nfs/dbraw/zinc/39/39/51/1356393951.db2.gz MPHCRTGWBUGJJY-KRWDZBQOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001671684275 1356393955 /nfs/dbraw/zinc/39/39/55/1356393955.db2.gz MPHCRTGWBUGJJY-KRWDZBQOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001671684275 1356393961 /nfs/dbraw/zinc/39/39/61/1356393961.db2.gz MPHCRTGWBUGJJY-KRWDZBQOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001671684275 1356393966 /nfs/dbraw/zinc/39/39/66/1356393966.db2.gz MPHCRTGWBUGJJY-KRWDZBQOSA-N 2 2 338.883 2.157 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1F ZINC001672869572 1356604004 /nfs/dbraw/zinc/60/40/04/1356604004.db2.gz UANXIIJJCXRLLI-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1ncoc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001672876068 1356605094 /nfs/dbraw/zinc/60/50/94/1356605094.db2.gz WOKVVOUEKWJXMC-HOCLYGCPSA-N 2 2 345.447 2.159 10 0 EEAELP CCCCC[NH+]1CC2(C1)C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)CO2 ZINC001673569697 1356712363 /nfs/dbraw/zinc/71/23/63/1356712363.db2.gz FXNVUICZWIYAMU-INIZCTEOSA-N 2 2 348.491 2.156 10 0 EEAELP CCCC[NH2+]CC1CC(NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001674542352 1356856317 /nfs/dbraw/zinc/85/63/17/1356856317.db2.gz RYBJKTXUHHWMNC-KVULBXGLSA-N 2 2 333.480 2.075 10 0 EEAELP CCCC[NH2+]CC1CC(NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001674542352 1356856322 /nfs/dbraw/zinc/85/63/22/1356856322.db2.gz RYBJKTXUHHWMNC-KVULBXGLSA-N 2 2 333.480 2.075 10 0 EEAELP CC(C)OCC[NH2+]C1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1 ZINC001674800453 1356898740 /nfs/dbraw/zinc/89/87/40/1356898740.db2.gz MUSCNWZBLKQPRW-UHFFFAOYSA-N 2 2 336.480 2.057 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCCCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001675759111 1357046488 /nfs/dbraw/zinc/04/64/88/1357046488.db2.gz BFNXLEWKHQWOFU-BZUAXINKSA-N 2 2 336.455 2.070 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)o1 ZINC001675915516 1357068782 /nfs/dbraw/zinc/06/87/82/1357068782.db2.gz NTIDMODXLDJKSV-KCPJHIHWSA-N 2 2 345.447 2.193 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699316295 1405332106 /nfs/dbraw/zinc/33/21/06/1405332106.db2.gz YLCHZEAOMFPBES-SQRWCISFSA-N 2 2 334.464 2.010 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001699317706 1405333928 /nfs/dbraw/zinc/33/39/28/1405333928.db2.gz UKUWCEXOYRVTTQ-OWOJBTEDSA-N 2 2 336.798 2.207 10 0 EEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817892443 785048131 /nfs/dbraw/zinc/04/81/31/785048131.db2.gz ACHBVWYPWUVMIV-DOTOQJQBSA-N 2 2 331.460 2.060 10 0 EEAELP C[C@@]1(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C[C@]1(F)Cl ZINC000846040619 790034162 /nfs/dbraw/zinc/03/41/62/790034162.db2.gz VVSAOCYFXCPNPZ-IAGOWNOFSA-N 2 2 347.906 2.077 10 0 EEAELP C[C@@]1(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C[C@]1(F)Cl ZINC000846040619 790034167 /nfs/dbraw/zinc/03/41/67/790034167.db2.gz VVSAOCYFXCPNPZ-IAGOWNOFSA-N 2 2 347.906 2.077 10 0 EEAELP C[N@@H+]1CCC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000952883675 796066601 /nfs/dbraw/zinc/06/66/01/796066601.db2.gz WNKURGKLXSRORL-INIZCTEOSA-N 2 2 328.416 2.336 10 0 EEAELP C[N@H+]1CCC[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000952883675 796066610 /nfs/dbraw/zinc/06/66/10/796066610.db2.gz WNKURGKLXSRORL-INIZCTEOSA-N 2 2 328.416 2.336 10 0 EEAELP O=c1[nH]c2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)c2o1 ZINC000921860528 797691432 /nfs/dbraw/zinc/69/14/32/797691432.db2.gz RPNJVSBZYVXCPJ-HZPDHXFCSA-N 2 2 331.416 2.001 10 0 EEAELP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921861507 797696744 /nfs/dbraw/zinc/69/67/44/797696744.db2.gz XBQMBWDPDIWPDB-UXHICEINSA-N 2 2 329.488 2.428 10 0 EEAELP Cc1ncccc1C(=O)N1CC([N@@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799689 803097443 /nfs/dbraw/zinc/09/74/43/803097443.db2.gz JWMIBLXRJLYOSE-UHFFFAOYSA-N 2 2 344.503 2.267 10 0 EEAELP Cc1ncccc1C(=O)N1CC([N@H+](CC(C)C)C2CC[NH+](C)CC2)C1 ZINC000581799689 803097451 /nfs/dbraw/zinc/09/74/51/803097451.db2.gz JWMIBLXRJLYOSE-UHFFFAOYSA-N 2 2 344.503 2.267 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H]1CCc2c1cccc2F ZINC001566520934 1125692464 /nfs/dbraw/zinc/69/24/64/1125692464.db2.gz FRURHNXAVVBHFH-KRWDZBQOSA-N 2 2 330.407 2.148 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H]1CCc2c1cccc2F ZINC001566520934 1125692468 /nfs/dbraw/zinc/69/24/68/1125692468.db2.gz FRURHNXAVVBHFH-KRWDZBQOSA-N 2 2 330.407 2.148 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CC[C@@H](C)F)C3CC3)ccn12 ZINC001436781995 1088332322 /nfs/dbraw/zinc/33/23/22/1088332322.db2.gz BWVKFWUQZMHLOK-WBMJQRKESA-N 2 2 332.423 2.489 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001436841897 1088476890 /nfs/dbraw/zinc/47/68/90/1088476890.db2.gz NDAYVAWHYLNJSB-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)OCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001436841897 1088476894 /nfs/dbraw/zinc/47/68/94/1088476894.db2.gz NDAYVAWHYLNJSB-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001436841897 1088476898 /nfs/dbraw/zinc/47/68/98/1088476898.db2.gz NDAYVAWHYLNJSB-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)OCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001436841897 1088476903 /nfs/dbraw/zinc/47/69/03/1088476903.db2.gz NDAYVAWHYLNJSB-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP CCO[C@H](C[NH2+][C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001437137461 1089129289 /nfs/dbraw/zinc/12/92/89/1089129289.db2.gz PGHRPAPEMGOAEB-SUMWQHHRSA-N 2 2 344.459 2.166 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cc(F)ccc1F ZINC001437160151 1089167981 /nfs/dbraw/zinc/16/79/81/1089167981.db2.gz AUZCXEUCRPTQPD-CHWSQXEVSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437162060 1089172687 /nfs/dbraw/zinc/17/26/87/1089172687.db2.gz KBARQIUIKANOAE-JSGCOSHPSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC001437249689 1089372182 /nfs/dbraw/zinc/37/21/82/1089372182.db2.gz NWSQBUNPJFMRDR-ZDUSSCGKSA-N 2 2 342.443 2.096 10 0 EEAELP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001437336670 1089525957 /nfs/dbraw/zinc/52/59/57/1089525957.db2.gz PXRTVGISOARHMV-SJLPKXTDSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001437336670 1089525964 /nfs/dbraw/zinc/52/59/64/1089525964.db2.gz PXRTVGISOARHMV-SJLPKXTDSA-N 2 2 332.492 2.414 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001437391825 1089643541 /nfs/dbraw/zinc/64/35/41/1089643541.db2.gz ZRHWVACHWLVNRL-GOEBONIOSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)s1 ZINC001437526633 1089955537 /nfs/dbraw/zinc/95/55/37/1089955537.db2.gz QMHCYFJHLXMPGL-AWEZNQCLSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1ncc(C[N@H+](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)s1 ZINC001437526633 1089955554 /nfs/dbraw/zinc/95/55/54/1089955554.db2.gz QMHCYFJHLXMPGL-AWEZNQCLSA-N 2 2 338.521 2.264 10 0 EEAELP C[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C(C)(C)C)cc1 ZINC001437569701 1090054362 /nfs/dbraw/zinc/05/43/62/1090054362.db2.gz VVTJBFWRHVTIRV-UHFFFAOYSA-N 2 2 328.460 2.429 10 0 EEAELP C[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C(C)(C)C)cc1 ZINC001437569701 1090054375 /nfs/dbraw/zinc/05/43/75/1090054375.db2.gz VVTJBFWRHVTIRV-UHFFFAOYSA-N 2 2 328.460 2.429 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1oc(C(C)C)nc1C ZINC001437611903 1090119855 /nfs/dbraw/zinc/11/98/55/1090119855.db2.gz RSHDFHUNPOECGB-UHFFFAOYSA-N 2 2 347.463 2.250 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1oc(C(C)C)nc1C ZINC001437611903 1090119862 /nfs/dbraw/zinc/11/98/62/1090119862.db2.gz RSHDFHUNPOECGB-UHFFFAOYSA-N 2 2 347.463 2.250 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC001437737054 1090296238 /nfs/dbraw/zinc/29/62/38/1090296238.db2.gz GGFFZLWJPIDIAZ-INIZCTEOSA-N 2 2 332.473 2.016 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC001437737054 1090296240 /nfs/dbraw/zinc/29/62/40/1090296240.db2.gz GGFFZLWJPIDIAZ-INIZCTEOSA-N 2 2 332.473 2.016 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001437912769 1090494375 /nfs/dbraw/zinc/49/43/75/1090494375.db2.gz VXMTYRYHBJMLCA-KRWDZBQOSA-N 2 2 341.459 2.100 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001437912769 1090494380 /nfs/dbraw/zinc/49/43/80/1090494380.db2.gz VXMTYRYHBJMLCA-KRWDZBQOSA-N 2 2 341.459 2.100 10 0 EEAELP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CC1CC(F)(F)C1 ZINC001438316779 1090794372 /nfs/dbraw/zinc/79/43/72/1090794372.db2.gz HGVMQALTBCDZCP-AWEZNQCLSA-N 2 2 342.434 2.456 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CCCC1 ZINC001438616089 1091105316 /nfs/dbraw/zinc/10/53/16/1091105316.db2.gz WULKWHPKAJVFKO-ZDUSSCGKSA-N 2 2 340.418 2.406 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001445575474 1091356223 /nfs/dbraw/zinc/35/62/23/1091356223.db2.gz LQSKJYGPUBRWLM-NSHDSACASA-N 2 2 328.407 2.066 10 0 EEAELP C[C@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001438772484 1091359164 /nfs/dbraw/zinc/35/91/64/1091359164.db2.gz QFRQYKUWPAOXRR-STQMWFEESA-N 2 2 345.274 2.419 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cscn1)c1ccccc1 ZINC001445648358 1091438004 /nfs/dbraw/zinc/43/80/04/1091438004.db2.gz WYXDJASUZKORAY-WMLDXEAASA-N 2 2 346.500 2.430 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1cscn1)c1ccccc1 ZINC001445648358 1091438009 /nfs/dbraw/zinc/43/80/09/1091438009.db2.gz WYXDJASUZKORAY-WMLDXEAASA-N 2 2 346.500 2.430 10 0 EEAELP CN(CC[N@H+](C)Cc1cccc(F)c1Cl)C(=O)CC[NH+](C)C ZINC001438905378 1091566657 /nfs/dbraw/zinc/56/66/57/1091566657.db2.gz XJCRLVBUNGMVAV-UHFFFAOYSA-N 2 2 329.847 2.321 10 0 EEAELP CN(CC[N@@H+](C)Cc1cccc(F)c1Cl)C(=O)CC[NH+](C)C ZINC001438905378 1091566659 /nfs/dbraw/zinc/56/66/59/1091566659.db2.gz XJCRLVBUNGMVAV-UHFFFAOYSA-N 2 2 329.847 2.321 10 0 EEAELP CN(CC[N@H+](C)CCc1ccccc1Cl)C(=O)Cn1cc[nH+]c1 ZINC001438939429 1091623449 /nfs/dbraw/zinc/62/34/49/1091623449.db2.gz GYSNKUXZQMUMEC-UHFFFAOYSA-N 2 2 334.851 2.169 10 0 EEAELP CN(CC[N@@H+](C)CCc1ccccc1Cl)C(=O)Cn1cc[nH+]c1 ZINC001438939429 1091623456 /nfs/dbraw/zinc/62/34/56/1091623456.db2.gz GYSNKUXZQMUMEC-UHFFFAOYSA-N 2 2 334.851 2.169 10 0 EEAELP 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ZINC001440407203 1093596433 /nfs/dbraw/zinc/59/64/33/1093596433.db2.gz RNJKUBWAIFZJTI-GOEBONIOSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(F)cn2)c[nH+]1 ZINC001448674046 1093741841 /nfs/dbraw/zinc/74/18/41/1093741841.db2.gz BOLIVFJFPAYVEC-CYBMUJFWSA-N 2 2 347.438 2.097 10 0 EEAELP Cc1csc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001448740828 1093811229 /nfs/dbraw/zinc/81/12/29/1093811229.db2.gz YWKSNKLLLAICAA-GXTWGEPZSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1nc(C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)co1 ZINC001440886676 1094144566 /nfs/dbraw/zinc/14/45/66/1094144566.db2.gz VAUXZYGOULQHPN-UHFFFAOYSA-N 2 2 347.463 2.258 10 0 EEAELP CC(C)N(CC[N@H+](C)C[C@@H]1CC[C@@H](C)O1)C(=O)CCc1c[nH]c[nH+]1 ZINC001449276875 1094224626 /nfs/dbraw/zinc/22/46/26/1094224626.db2.gz YCBMGAFEKFGXLP-WBVHZDCISA-N 2 2 336.480 2.079 10 0 EEAELP CC(C)N(CC[N@@H+](C)C[C@@H]1CC[C@@H](C)O1)C(=O)CCc1c[nH]c[nH+]1 ZINC001449276875 1094224632 /nfs/dbraw/zinc/22/46/32/1094224632.db2.gz YCBMGAFEKFGXLP-WBVHZDCISA-N 2 2 336.480 2.079 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1Cc1cncs1 ZINC001441129737 1094457021 /nfs/dbraw/zinc/45/70/21/1094457021.db2.gz VORCCNSFVTWHMI-OAHLLOKOSA-N 2 2 347.488 2.291 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1Cc1cncs1 ZINC001441129737 1094457023 /nfs/dbraw/zinc/45/70/23/1094457023.db2.gz VORCCNSFVTWHMI-OAHLLOKOSA-N 2 2 347.488 2.291 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001441214430 1094579369 /nfs/dbraw/zinc/57/93/69/1094579369.db2.gz VSYYUYICKVPILM-GJZGRUSLSA-N 2 2 348.491 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001441214430 1094579374 /nfs/dbraw/zinc/57/93/74/1094579374.db2.gz VSYYUYICKVPILM-GJZGRUSLSA-N 2 2 348.491 2.076 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)Cc1cccnc1C)C(C)C ZINC001442127028 1096364675 /nfs/dbraw/zinc/36/46/75/1096364675.db2.gz GKEQABSTZJNBNH-UHFFFAOYSA-N 2 2 343.475 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OYDMDSXTYICCFB-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP Cc1conc1C[N@H+](C)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001479815886 1099084454 /nfs/dbraw/zinc/08/44/54/1099084454.db2.gz OYDMDSXTYICCFB-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]Cc2ccns2)C(C)C)c[nH+]1 ZINC001444881468 1099905069 /nfs/dbraw/zinc/90/50/69/1099905069.db2.gz DAQHWRSORRFTRO-HNNXBMFYSA-N 2 2 349.504 2.314 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001480287033 1099996553 /nfs/dbraw/zinc/99/65/53/1099996553.db2.gz BSFPEYPFGPJUES-IRXDYDNUSA-N 2 2 330.476 2.240 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001480300647 1100017776 /nfs/dbraw/zinc/01/77/76/1100017776.db2.gz PCLMBSJEJMVLNV-SFHVURJKSA-N 2 2 340.471 2.034 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001480350965 1100120634 /nfs/dbraw/zinc/12/06/34/1100120634.db2.gz DZNCIJNEWKYJSD-FUHWJXTLSA-N 2 2 330.476 2.216 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496245804 1100814621 /nfs/dbraw/zinc/81/46/21/1100814621.db2.gz WDDKXSAOOYZTNV-KBPBESRZSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]Cc2cncs2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001446414694 1100823802 /nfs/dbraw/zinc/82/38/02/1100823802.db2.gz CCSQBJROLWMLCG-GJZGRUSLSA-N 2 2 347.488 2.289 10 0 EEAELP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001446487954 1100924489 /nfs/dbraw/zinc/92/44/89/1100924489.db2.gz GUYDVRDYXYOGAR-WMZOPIPTSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC001446500681 1100948519 /nfs/dbraw/zinc/94/85/19/1100948519.db2.gz PFDAQBXQCPDMAW-MRXNPFEDSA-N 2 2 345.447 2.034 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001446690088 1101251252 /nfs/dbraw/zinc/25/12/52/1101251252.db2.gz YJAAFIHIYWYCIM-HKUYNNGSSA-N 2 2 348.491 2.267 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001446690088 1101251253 /nfs/dbraw/zinc/25/12/53/1101251253.db2.gz YJAAFIHIYWYCIM-HKUYNNGSSA-N 2 2 348.491 2.267 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccon2)C1 ZINC001446690088 1101251257 /nfs/dbraw/zinc/25/12/57/1101251257.db2.gz YJAAFIHIYWYCIM-HKUYNNGSSA-N 2 2 348.491 2.267 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccon2)C1 ZINC001446690088 1101251259 /nfs/dbraw/zinc/25/12/59/1101251259.db2.gz YJAAFIHIYWYCIM-HKUYNNGSSA-N 2 2 348.491 2.267 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)C[NH2+]CC1=CCCCC1 ZINC001495690655 1101442525 /nfs/dbraw/zinc/44/25/25/1101442525.db2.gz GOKNYJMEIWXWQQ-HNNXBMFYSA-N 2 2 331.460 2.475 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH2+]Cc1ccsc1 ZINC001495695155 1101449141 /nfs/dbraw/zinc/44/91/41/1101449141.db2.gz YRZLDRZCYZDLKS-UKRRQHHQSA-N 2 2 332.473 2.049 10 0 EEAELP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1F ZINC001497318885 1102311927 /nfs/dbraw/zinc/31/19/27/1102311927.db2.gz XXDGOKWUIPXZMT-GFCCVEGCSA-N 2 2 348.422 2.093 10 0 EEAELP CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001497445544 1102500766 /nfs/dbraw/zinc/50/07/66/1102500766.db2.gz WJOXRNYYZDOQMM-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001497445544 1102500771 /nfs/dbraw/zinc/50/07/71/1102500771.db2.gz WJOXRNYYZDOQMM-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)CCc1c[nH]c[nH+]1 ZINC001497594544 1102720564 /nfs/dbraw/zinc/72/05/64/1102720564.db2.gz CBBAFANVQRHHNI-ONEGZZNKSA-N 2 2 326.444 2.421 10 0 EEAELP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)CCc1c[nH+]c[nH]1 ZINC001497594544 1102720578 /nfs/dbraw/zinc/72/05/78/1102720578.db2.gz CBBAFANVQRHHNI-ONEGZZNKSA-N 2 2 326.444 2.421 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]2CCCCCC2)no1 ZINC001497690281 1102910566 /nfs/dbraw/zinc/91/05/66/1102910566.db2.gz FUUKVQZCJNOQEO-SQRWCISFSA-N 2 2 334.464 2.010 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ncc(C(C)(C)C)o1 ZINC001497750610 1103020704 /nfs/dbraw/zinc/02/07/04/1103020704.db2.gz VHCMVVFUMWFINQ-NHQLZKDQSA-N 2 2 348.491 2.247 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1)c1ncc(C(C)(C)C)o1 ZINC001497750610 1103020721 /nfs/dbraw/zinc/02/07/21/1103020721.db2.gz VHCMVVFUMWFINQ-NHQLZKDQSA-N 2 2 348.491 2.247 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccncc1Cl ZINC001447645476 1103042645 /nfs/dbraw/zinc/04/26/45/1103042645.db2.gz SKECOVRMWZRUSU-IACUBPJLSA-N 2 2 347.850 2.246 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccncc1Cl ZINC001447645476 1103042662 /nfs/dbraw/zinc/04/26/62/1103042662.db2.gz SKECOVRMWZRUSU-IACUBPJLSA-N 2 2 347.850 2.246 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497843526 1103181808 /nfs/dbraw/zinc/18/18/08/1103181808.db2.gz ROHDOIDNLWTSEJ-ZBFHGGJFSA-N 2 2 348.491 2.267 10 0 EEAELP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497843526 1103181815 /nfs/dbraw/zinc/18/18/15/1103181815.db2.gz ROHDOIDNLWTSEJ-ZBFHGGJFSA-N 2 2 348.491 2.267 10 0 EEAELP C[C@@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001447748097 1103226216 /nfs/dbraw/zinc/22/62/16/1103226216.db2.gz CDIGXPUJLNMQJP-XHBKTUGNSA-N 2 2 330.407 2.072 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001494032325 1103395227 /nfs/dbraw/zinc/39/52/27/1103395227.db2.gz GJPXGUAZYWRNON-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP COCCCC[N@H+]1CC[C@@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001494032325 1103395234 /nfs/dbraw/zinc/39/52/34/1103395234.db2.gz GJPXGUAZYWRNON-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001447914452 1103584614 /nfs/dbraw/zinc/58/46/14/1103584614.db2.gz HZQFHAFQBZAOQJ-ZIAGYGMSSA-N 2 2 344.459 2.261 10 0 EEAELP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001448081592 1103957720 /nfs/dbraw/zinc/95/77/20/1103957720.db2.gz QLLWCCNLWHFJJJ-SJLPKXTDSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001448081592 1103957724 /nfs/dbraw/zinc/95/77/24/1103957724.db2.gz QLLWCCNLWHFJJJ-SJLPKXTDSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001448081592 1103957732 /nfs/dbraw/zinc/95/77/32/1103957732.db2.gz QLLWCCNLWHFJJJ-SJLPKXTDSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001448081592 1103957738 /nfs/dbraw/zinc/95/77/38/1103957738.db2.gz QLLWCCNLWHFJJJ-SJLPKXTDSA-N 2 2 339.524 2.112 10 0 EEAELP C[NH+](C)CCCCC(=O)NC1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001494483543 1104067059 /nfs/dbraw/zinc/06/70/59/1104067059.db2.gz RXNFEJJSMPTUDH-SFHVURJKSA-N 2 2 333.451 2.345 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001495014679 1104656564 /nfs/dbraw/zinc/65/65/64/1104656564.db2.gz XKZVROYKXABYNU-HOTGVXAUSA-N 2 2 344.434 2.269 10 0 EEAELP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C12CCC2 ZINC001454162118 1106791112 /nfs/dbraw/zinc/79/11/12/1106791112.db2.gz DAZYXUSEFHDDKL-IAGOWNOFSA-N 2 2 340.427 2.181 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1cncs1)n1cc[nH+]c1 ZINC001498057342 1106855788 /nfs/dbraw/zinc/85/57/88/1106855788.db2.gz QIAUXSRJXPHKMF-DZGCQCFKSA-N 2 2 335.477 2.221 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001498063103 1106870755 /nfs/dbraw/zinc/87/07/55/1106870755.db2.gz XUKYIZQCIWTPHM-QMMRJVTOSA-N 2 2 338.455 2.253 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001480773139 1107091195 /nfs/dbraw/zinc/09/11/95/1107091195.db2.gz DVQOZVXIXOYARE-GFCCVEGCSA-N 2 2 342.434 2.456 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498322537 1107289372 /nfs/dbraw/zinc/28/93/72/1107289372.db2.gz GTCUVYLEMUJTSO-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498322537 1107289377 /nfs/dbraw/zinc/28/93/77/1107289377.db2.gz GTCUVYLEMUJTSO-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP CC1CC(C[N@@H+]2CC[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001493208155 1107685856 /nfs/dbraw/zinc/68/58/56/1107685856.db2.gz WBYPFBZJMNXURY-CGZBRXJRSA-N 2 2 344.503 2.246 10 0 EEAELP CC1CC(C[N@H+]2CC[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001493208155 1107685861 /nfs/dbraw/zinc/68/58/61/1107685861.db2.gz WBYPFBZJMNXURY-CGZBRXJRSA-N 2 2 344.503 2.246 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001498620165 1107825297 /nfs/dbraw/zinc/82/52/97/1107825297.db2.gz HUXXQRPNLDJXPQ-HIFRSBDPSA-N 2 2 333.436 2.330 10 0 EEAELP COc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001498661795 1107916496 /nfs/dbraw/zinc/91/64/96/1107916496.db2.gz ZJCWVWTWMRWLBS-HNNXBMFYSA-N 2 2 330.432 2.091 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001460846387 1110326218 /nfs/dbraw/zinc/32/62/18/1110326218.db2.gz DUMNDTHSTAKQKK-CYBMUJFWSA-N 2 2 348.413 2.309 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001460846387 1110326220 /nfs/dbraw/zinc/32/62/20/1110326220.db2.gz DUMNDTHSTAKQKK-CYBMUJFWSA-N 2 2 348.413 2.309 10 0 EEAELP CC[N@@H+]1CC[C@@H]1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC001467627054 1110460587 /nfs/dbraw/zinc/46/05/87/1110460587.db2.gz OCMSVSISGPIPMI-LJQANCHMSA-N 2 2 344.503 2.497 10 0 EEAELP CC[N@H+]1CC[C@@H]1C(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC001467627054 1110460588 /nfs/dbraw/zinc/46/05/88/1110460588.db2.gz OCMSVSISGPIPMI-LJQANCHMSA-N 2 2 344.503 2.497 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC001467746606 1110462789 /nfs/dbraw/zinc/46/27/89/1110462789.db2.gz RUAILBHVMXRIGI-UHFFFAOYSA-N 2 2 344.381 2.182 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC001473307563 1110574028 /nfs/dbraw/zinc/57/40/28/1110574028.db2.gz FLSCZGCLZTXCQG-MRXNPFEDSA-N 2 2 338.517 2.313 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC001473307563 1110574029 /nfs/dbraw/zinc/57/40/29/1110574029.db2.gz FLSCZGCLZTXCQG-MRXNPFEDSA-N 2 2 338.517 2.313 10 0 EEAELP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001473759864 1110579702 /nfs/dbraw/zinc/57/97/02/1110579702.db2.gz QKLRSYWUQAZQHM-DLBZAZTESA-N 2 2 332.492 2.485 10 0 EEAELP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001473759864 1110579706 /nfs/dbraw/zinc/57/97/06/1110579706.db2.gz QKLRSYWUQAZQHM-DLBZAZTESA-N 2 2 332.492 2.485 10 0 EEAELP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001479370660 1110687904 /nfs/dbraw/zinc/68/79/04/1110687904.db2.gz QJEASRUTXYGLGD-YRBFXIGRSA-N 2 2 347.507 2.321 10 0 EEAELP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001479370660 1110687905 /nfs/dbraw/zinc/68/79/05/1110687905.db2.gz QJEASRUTXYGLGD-YRBFXIGRSA-N 2 2 347.507 2.321 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)c(C)o1 ZINC001499421191 1112278032 /nfs/dbraw/zinc/27/80/32/1112278032.db2.gz MHHOJFSRDFWPFJ-CVEARBPZSA-N 2 2 348.491 2.150 10 0 EEAELP COc1cccc(C[NH+]2CC(N(C)C(=O)CCCC[NH+](C)C)C2)c1C ZINC001499770781 1112479765 /nfs/dbraw/zinc/47/97/65/1112479765.db2.gz DYGZOTJXLUFTTP-UHFFFAOYSA-N 2 2 347.503 2.378 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CC[C@H]1CCCO1)C1CCCC1 ZINC001500122866 1112627684 /nfs/dbraw/zinc/62/76/84/1112627684.db2.gz MHAPLMLLLOYNDH-AEFFLSMTSA-N 2 2 348.491 2.094 10 0 EEAELP O=C(/C=C\c1ccco1)NCC[NH+]1CCC([NH2+]C/C=C/Cl)CC1 ZINC001501246824 1113260995 /nfs/dbraw/zinc/26/09/95/1113260995.db2.gz HGRRMJVVBMFHMH-ITBVJFPUSA-N 2 2 337.851 2.216 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]Cc2cc(F)ccc2F)C1 ZINC001501621688 1113402647 /nfs/dbraw/zinc/40/26/47/1113402647.db2.gz HRMIDMYCFFNXTD-CYBMUJFWSA-N 2 2 348.397 2.259 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)sn1 ZINC001502129825 1113606715 /nfs/dbraw/zinc/60/67/15/1113606715.db2.gz LPIPXMJQHPITRT-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)sn1 ZINC001502129825 1113606716 /nfs/dbraw/zinc/60/67/16/1113606716.db2.gz LPIPXMJQHPITRT-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001505633778 1114098691 /nfs/dbraw/zinc/09/86/91/1114098691.db2.gz SQSMSERTWAHFNA-WDEREUQCSA-N 2 2 327.388 2.156 10 0 EEAELP CCc1ccccc1CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505719578 1114149927 /nfs/dbraw/zinc/14/99/27/1114149927.db2.gz DNSBBJKASAHABJ-LSDHHAIUSA-N 2 2 328.460 2.240 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001506813529 1114892137 /nfs/dbraw/zinc/89/21/37/1114892137.db2.gz HRDLIPLRLCJXBW-LEUOFYLZSA-N 2 2 330.476 2.318 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)n1cc[nH+]c1 ZINC001506813529 1114892142 /nfs/dbraw/zinc/89/21/42/1114892142.db2.gz HRDLIPLRLCJXBW-LEUOFYLZSA-N 2 2 330.476 2.318 10 0 EEAELP CCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001506834162 1114901867 /nfs/dbraw/zinc/90/18/67/1114901867.db2.gz MLFCLXWJYJWDDB-MAUKXSAKSA-N 2 2 349.475 2.028 10 0 EEAELP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001506865155 1114934135 /nfs/dbraw/zinc/93/41/35/1114934135.db2.gz ITWSBDJVZPMIQE-SNAWJCMRSA-N 2 2 330.476 2.243 10 0 EEAELP CC/C=C/CC[N@H+]1CCCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001506865155 1114934138 /nfs/dbraw/zinc/93/41/38/1114934138.db2.gz ITWSBDJVZPMIQE-SNAWJCMRSA-N 2 2 330.476 2.243 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cncs1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001506938037 1114987824 /nfs/dbraw/zinc/98/78/24/1114987824.db2.gz JNTANVUAXJTJRM-NWANDNLSSA-N 2 2 347.488 2.055 10 0 EEAELP CC(C)[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CCC1 ZINC001506986601 1115033515 /nfs/dbraw/zinc/03/35/15/1115033515.db2.gz VDVHACHAGQJJDO-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H](C[NH2+]Cc1cccnc1)C1CC1)n1cc[nH+]c1 ZINC001507027475 1115064796 /nfs/dbraw/zinc/06/47/96/1115064796.db2.gz QKXSWKCWMHQEPD-MAUKXSAKSA-N 2 2 341.459 2.256 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]CCCc1ccccc1 ZINC001507147861 1115133775 /nfs/dbraw/zinc/13/37/75/1115133775.db2.gz KJWLQKSIOFPWEQ-OAHLLOKOSA-N 2 2 328.460 2.330 10 0 EEAELP Cc1conc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001507162766 1115142363 /nfs/dbraw/zinc/14/23/63/1115142363.db2.gz IZLVLTCARBCKKS-INIZCTEOSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1conc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001507162766 1115142364 /nfs/dbraw/zinc/14/23/64/1115142364.db2.gz IZLVLTCARBCKKS-INIZCTEOSA-N 2 2 344.459 2.052 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1c[nH+]cn1C ZINC001507293177 1115177184 /nfs/dbraw/zinc/17/71/84/1115177184.db2.gz LBWLZCYXJLJQAJ-OCCSQVGLSA-N 2 2 346.397 2.274 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001507417707 1115259175 /nfs/dbraw/zinc/25/91/75/1115259175.db2.gz YAAYGSLYBSUVFF-IRXDYDNUSA-N 2 2 332.492 2.417 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001507963034 1115381412 /nfs/dbraw/zinc/38/14/12/1115381412.db2.gz DYMHXBBSOBHCAC-SZBGIYDQSA-N 2 2 338.883 2.319 10 0 EEAELP CC1(C)CCN(C(=O)NCCCNc2cccc[nH+]2)CC(C)(C)[NH2+]1 ZINC001527410725 1120789569 /nfs/dbraw/zinc/78/95/69/1120789569.db2.gz UUUYYBKUMJEXTC-UHFFFAOYSA-N 2 2 333.480 2.446 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)n1 ZINC001567925407 1124183877 /nfs/dbraw/zinc/18/38/77/1124183877.db2.gz MEBNQERORIYIHP-GOSISDBHSA-N 2 2 349.523 2.229 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)n1 ZINC001567925407 1124183880 /nfs/dbraw/zinc/18/38/80/1124183880.db2.gz MEBNQERORIYIHP-GOSISDBHSA-N 2 2 349.523 2.229 10 0 EEAELP CC(C)=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001568022647 1124234566 /nfs/dbraw/zinc/23/45/66/1124234566.db2.gz CCLZAUSKMOWTBD-BEFAXECRSA-N 2 2 330.476 2.286 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001568139271 1124323675 /nfs/dbraw/zinc/32/36/75/1124323675.db2.gz NXGUMGJSSFESGC-OAHLLOKOSA-N 2 2 332.473 2.227 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001568139271 1124323678 /nfs/dbraw/zinc/32/36/78/1124323678.db2.gz NXGUMGJSSFESGC-OAHLLOKOSA-N 2 2 332.473 2.227 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001568513580 1124574073 /nfs/dbraw/zinc/57/40/73/1124574073.db2.gz MWVPZEBPSWBQBC-WMZOPIPTSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001568513580 1124574077 /nfs/dbraw/zinc/57/40/77/1124574077.db2.gz MWVPZEBPSWBQBC-WMZOPIPTSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001568513580 1124574085 /nfs/dbraw/zinc/57/40/85/1124574085.db2.gz MWVPZEBPSWBQBC-WMZOPIPTSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001568513580 1124574091 /nfs/dbraw/zinc/57/40/91/1124574091.db2.gz MWVPZEBPSWBQBC-WMZOPIPTSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001568702988 1124719303 /nfs/dbraw/zinc/71/93/03/1124719303.db2.gz GCMAAIREVFDNLU-JTQLQIEISA-N 2 2 335.477 2.019 10 0 EEAELP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]C[C@@H]2CCCCO2)c(C)[nH+]1 ZINC001568891984 1124919135 /nfs/dbraw/zinc/91/91/35/1124919135.db2.gz PUYOJJKAEIARGO-RTRPANQVSA-N 2 2 331.460 2.452 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001568951633 1124985895 /nfs/dbraw/zinc/98/58/95/1124985895.db2.gz QJIYYDYGSLNSTB-KVLZDYKBSA-N 2 2 342.418 2.051 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001568999833 1125032386 /nfs/dbraw/zinc/03/23/86/1125032386.db2.gz NELYFFMNNXHILL-ZTFGCOKTSA-N 2 2 340.471 2.413 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001568999833 1125032395 /nfs/dbraw/zinc/03/23/95/1125032395.db2.gz NELYFFMNNXHILL-ZTFGCOKTSA-N 2 2 340.471 2.413 10 0 EEAELP C[C@H](C[NH2+]CC/C=C/c1ccccc1)NC(=O)Cc1c[nH+]cn1C ZINC001569030372 1125052903 /nfs/dbraw/zinc/05/29/03/1125052903.db2.gz OLDSBTPXZNOEDG-VGZDNEPHSA-N 2 2 326.444 2.160 10 0 EEAELP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CCn1cc[nH+]c1 ZINC001569228224 1125180319 /nfs/dbraw/zinc/18/03/19/1125180319.db2.gz WJEYDLOJRIUJIJ-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP CCOc1cc(CCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1OC ZINC000422749719 240206514 /nfs/dbraw/zinc/20/65/14/240206514.db2.gz APAWWMZJDWGOJL-WOJBJXKFSA-N 2 2 348.487 2.383 10 0 EEAELP Brc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422939178 240299667 /nfs/dbraw/zinc/29/96/67/240299667.db2.gz QWCIGAAOZODSQD-CABCVRRESA-N 2 2 325.250 2.306 10 0 EEAELP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000422928796 240291814 /nfs/dbraw/zinc/29/18/14/240291814.db2.gz MQZNXMOKZCYMBH-ZJUUUORDSA-N 2 2 338.253 2.450 10 0 EEAELP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000422928796 240291822 /nfs/dbraw/zinc/29/18/22/240291822.db2.gz MQZNXMOKZCYMBH-ZJUUUORDSA-N 2 2 338.253 2.450 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000459704401 245216589 /nfs/dbraw/zinc/21/65/89/245216589.db2.gz HASDJHUMTGALMZ-BPQIPLTHSA-N 2 2 328.460 2.096 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@H](CO)c2ccnn2C)CC[N@H+]1Cc1ccccc1 ZINC000459704401 245216595 /nfs/dbraw/zinc/21/65/95/245216595.db2.gz HASDJHUMTGALMZ-BPQIPLTHSA-N 2 2 328.460 2.096 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1OC ZINC000093147780 218197790 /nfs/dbraw/zinc/19/77/90/218197790.db2.gz CMIOLGBEZXBACN-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1OC ZINC000093147780 218197792 /nfs/dbraw/zinc/19/77/92/218197792.db2.gz CMIOLGBEZXBACN-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP COc1cc(C[NH2+][C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc2c1OCO2 ZINC000328635317 258025556 /nfs/dbraw/zinc/02/55/56/258025556.db2.gz NGXWUEXLIHVTGN-HIFRSBDPSA-N 2 2 345.399 2.167 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000074104241 292173856 /nfs/dbraw/zinc/17/38/56/292173856.db2.gz AZSFDZCFYCSRIB-MRXNPFEDSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000074104241 292173858 /nfs/dbraw/zinc/17/38/58/292173858.db2.gz AZSFDZCFYCSRIB-MRXNPFEDSA-N 2 2 335.496 2.459 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000263003110 152354828 /nfs/dbraw/zinc/35/48/28/152354828.db2.gz OYACLHAXFVSZMI-FVQBIDKESA-N 2 2 337.414 2.153 10 0 EEAELP CN1CC[NH2+]C[C@H]1c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000263113531 152377712 /nfs/dbraw/zinc/37/77/12/152377712.db2.gz AKTKHDRRSGJOOT-RRGWEWPQSA-N 2 2 336.399 2.002 10 0 EEAELP CC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248820925 160362581 /nfs/dbraw/zinc/36/25/81/160362581.db2.gz FNYUTEYHXIEGSP-PKOBYXMFSA-N 2 2 342.487 2.458 10 0 EEAELP CC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC[N@H+]1C[C@H](C)O ZINC000248820925 160362583 /nfs/dbraw/zinc/36/25/83/160362583.db2.gz FNYUTEYHXIEGSP-PKOBYXMFSA-N 2 2 342.487 2.458 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H](C)C1 ZINC000248861236 160365105 /nfs/dbraw/zinc/36/51/05/160365105.db2.gz AMBJWHLCWPJZDT-DOTOQJQBSA-N 2 2 337.512 2.260 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H](C)C1 ZINC000248861236 160365106 /nfs/dbraw/zinc/36/51/06/160365106.db2.gz AMBJWHLCWPJZDT-DOTOQJQBSA-N 2 2 337.512 2.260 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCSCC2)CC1 ZINC000129085664 292351931 /nfs/dbraw/zinc/35/19/31/292351931.db2.gz ZYHFVKFNOOLWIK-KRWDZBQOSA-N 2 2 347.528 2.331 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCSCC2)CC1 ZINC000129085664 292351932 /nfs/dbraw/zinc/35/19/32/292351932.db2.gz ZYHFVKFNOOLWIK-KRWDZBQOSA-N 2 2 347.528 2.331 10 0 EEAELP COC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCOCC1 ZINC000188026695 160114743 /nfs/dbraw/zinc/11/47/43/160114743.db2.gz NEOHAQBTSZZXQU-UXPWSPDFSA-N 2 2 347.503 2.323 10 0 EEAELP COC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCOCC1 ZINC000188026695 160114744 /nfs/dbraw/zinc/11/47/44/160114744.db2.gz NEOHAQBTSZZXQU-UXPWSPDFSA-N 2 2 347.503 2.323 10 0 EEAELP CCOCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246388176 160277004 /nfs/dbraw/zinc/27/70/04/160277004.db2.gz JOKFFNRWOAZONN-HKUYNNGSSA-N 2 2 347.503 2.124 10 0 EEAELP CCOCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246388176 160277006 /nfs/dbraw/zinc/27/70/06/160277006.db2.gz JOKFFNRWOAZONN-HKUYNNGSSA-N 2 2 347.503 2.124 10 0 EEAELP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246388176 160277007 /nfs/dbraw/zinc/27/70/07/160277007.db2.gz JOKFFNRWOAZONN-HKUYNNGSSA-N 2 2 347.503 2.124 10 0 EEAELP CCOCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246388176 160277008 /nfs/dbraw/zinc/27/70/08/160277008.db2.gz JOKFFNRWOAZONN-HKUYNNGSSA-N 2 2 347.503 2.124 10 0 EEAELP CC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247813664 160332276 /nfs/dbraw/zinc/33/22/76/160332276.db2.gz VPGJREGYWKOAMP-FUHWJXTLSA-N 2 2 328.460 2.149 10 0 EEAELP CC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C[C@H](C)O ZINC000247813664 160332277 /nfs/dbraw/zinc/33/22/77/160332277.db2.gz VPGJREGYWKOAMP-FUHWJXTLSA-N 2 2 328.460 2.149 10 0 EEAELP CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248470221 160348296 /nfs/dbraw/zinc/34/82/96/160348296.db2.gz HSHOOPFPLXCOAZ-RUBXOHKTSA-N 2 2 333.520 2.438 10 0 EEAELP CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248470221 160348298 /nfs/dbraw/zinc/34/82/98/160348298.db2.gz HSHOOPFPLXCOAZ-RUBXOHKTSA-N 2 2 333.520 2.438 10 0 EEAELP CCCN(CC[NH+](CC)CC)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000359854991 164185734 /nfs/dbraw/zinc/18/57/34/164185734.db2.gz 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c1cn(-c2csc(C[NH+]3CCN(c4ncccn4)CC3)c2)c[nH+]1 ZINC000346141962 275072309 /nfs/dbraw/zinc/07/23/09/275072309.db2.gz ZBJALSXIYMUZME-UHFFFAOYSA-N 2 2 326.429 2.046 10 0 EEAELP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427696124 277102136 /nfs/dbraw/zinc/10/21/36/277102136.db2.gz INBGSWMDMGKORQ-BBRMVZONSA-N 2 2 342.409 2.313 10 0 EEAELP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427696124 277102137 /nfs/dbraw/zinc/10/21/37/277102137.db2.gz INBGSWMDMGKORQ-BBRMVZONSA-N 2 2 342.409 2.313 10 0 EEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247361188 279125676 /nfs/dbraw/zinc/12/56/76/279125676.db2.gz HIXZAAGRFRQVDB-GVDBMIGSSA-N 2 2 335.496 2.452 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000298117204 294424212 /nfs/dbraw/zinc/42/42/12/294424212.db2.gz NDVFGEVOEYXKHX-MRXNPFEDSA-N 2 2 345.447 2.014 10 0 EEAELP Cc1ccn2c(C[NH2+][C@H]3CCO[C@H](c4c[nH+]cn4C)C3)cnc2c1 ZINC000333019309 312079684 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EEAELP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449130147 315420935 /nfs/dbraw/zinc/42/09/35/315420935.db2.gz XRVMUKVETHQRFU-UHFFFAOYSA-N 2 2 336.288 2.309 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528488534 317399577 /nfs/dbraw/zinc/39/95/77/317399577.db2.gz RYQDOQAIVGXTQF-UHFFFAOYSA-N 2 2 331.391 2.044 10 0 EEAELP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccn(C)n1 ZINC000542671492 318135995 /nfs/dbraw/zinc/13/59/95/318135995.db2.gz SGSNJNJYMAWDMR-GOSISDBHSA-N 2 2 328.460 2.493 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000562795563 318930805 /nfs/dbraw/zinc/93/08/05/318930805.db2.gz NPARSOIDVDHORU-HNNXBMFYSA-N 2 2 329.448 2.034 10 0 EEAELP Brc1ccn2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)nc2c1 ZINC000563658102 319034328 /nfs/dbraw/zinc/03/43/28/319034328.db2.gz UPUOMOPLMRBGGJ-NSHDSACASA-N 2 2 346.232 2.467 10 0 EEAELP Brc1ccn2cc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)nc2c1 ZINC000563658102 319034329 /nfs/dbraw/zinc/03/43/29/319034329.db2.gz 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CCc1cccc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000576232248 320153494 /nfs/dbraw/zinc/15/34/94/320153494.db2.gz JJYQWNBVLZQKOZ-KRWDZBQOSA-N 2 2 326.444 2.263 10 0 EEAELP CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000576685122 320194861 /nfs/dbraw/zinc/19/48/61/320194861.db2.gz YTNMAKLBSOGPBX-CYBMUJFWSA-N 2 2 340.855 2.234 10 0 EEAELP CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1Cl ZINC000576685122 320194862 /nfs/dbraw/zinc/19/48/62/320194862.db2.gz YTNMAKLBSOGPBX-CYBMUJFWSA-N 2 2 340.855 2.234 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)c1 ZINC000577842248 320279262 /nfs/dbraw/zinc/27/92/62/320279262.db2.gz OPTUBTIPKDHMMR-GOSISDBHSA-N 2 2 325.412 2.145 10 0 EEAELP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000182373270 323374176 /nfs/dbraw/zinc/37/41/76/323374176.db2.gz MOGRDVWYCNXGLX-MSOLQXFVSA-N 2 2 347.484 2.377 10 0 EEAELP COC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000580225465 324020244 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/nfs/dbraw/zinc/33/95/04/465339504.db2.gz QGXLRKJQERUJDI-PWIZWCRZSA-N 2 2 332.488 2.200 10 0 EEAELP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCO1 ZINC000339547424 465339510 /nfs/dbraw/zinc/33/95/10/465339510.db2.gz QGXLRKJQERUJDI-PWIZWCRZSA-N 2 2 332.488 2.200 10 0 EEAELP CC(C)N1CC[C@@H]([N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000337429829 465363959 /nfs/dbraw/zinc/36/39/59/465363959.db2.gz DWYZHDBEJDYENB-DOTOQJQBSA-N 2 2 330.476 2.408 10 0 EEAELP CC(C)N1CC[C@@H]([N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000337429829 465363962 /nfs/dbraw/zinc/36/39/62/465363962.db2.gz DWYZHDBEJDYENB-DOTOQJQBSA-N 2 2 330.476 2.408 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000045033884 462553200 /nfs/dbraw/zinc/55/32/00/462553200.db2.gz DBBQMKLTQKUUIL-INIZCTEOSA-N 2 2 342.443 2.187 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000045033884 462553207 /nfs/dbraw/zinc/55/32/07/462553207.db2.gz DBBQMKLTQKUUIL-INIZCTEOSA-N 2 2 342.443 2.187 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)CC[N@H+]1C ZINC000579128085 468315472 /nfs/dbraw/zinc/31/54/72/468315472.db2.gz JDWNDOSQWJJLGG-UPJWGTAASA-N 2 2 346.397 2.397 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1)C2 ZINC000129514711 462710824 /nfs/dbraw/zinc/71/08/24/462710824.db2.gz NABYCSYZLAGSNZ-UONOGXRCSA-N 2 2 333.480 2.094 10 0 EEAELP CC[NH+]1CCC(N(C(=O)c2ccc(-n3cc[nH+]c3)nc2)C2CC2)CC1 ZINC000065591408 462804517 /nfs/dbraw/zinc/80/45/17/462804517.db2.gz JCNRAJZPMIERQV-UHFFFAOYSA-N 2 2 339.443 2.356 10 0 EEAELP C[N@H+](CCCO)C1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000093413052 463036627 /nfs/dbraw/zinc/03/66/27/463036627.db2.gz FIWFVSKFRWVPOE-UHFFFAOYSA-N 2 2 346.500 2.484 10 0 EEAELP C[N@@H+](CCCO)C1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000093413052 463036630 /nfs/dbraw/zinc/03/66/30/463036630.db2.gz FIWFVSKFRWVPOE-UHFFFAOYSA-N 2 2 346.500 2.484 10 0 EEAELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000590785972 468338975 /nfs/dbraw/zinc/33/89/75/468338975.db2.gz VEICXWWJGZQBHY-UHFFFAOYSA-N 2 2 345.443 2.162 10 0 EEAELP Cc1ccc(NCCCNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)[nH+]c1 ZINC000105139339 463440633 /nfs/dbraw/zinc/44/06/33/463440633.db2.gz XSPNJBBUQQETRG-INIZCTEOSA-N 2 2 331.464 2.072 10 0 EEAELP Cc1ccc(NCCCNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)[nH+]c1 ZINC000105139339 463440634 /nfs/dbraw/zinc/44/06/34/463440634.db2.gz XSPNJBBUQQETRG-INIZCTEOSA-N 2 2 331.464 2.072 10 0 EEAELP Cc1cnn(C[C@@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000071874991 463449599 /nfs/dbraw/zinc/44/95/99/463449599.db2.gz SMKBLHWMWBMPAE-IAGOWNOFSA-N 2 2 341.459 2.197 10 0 EEAELP CCCC[C@@H](C(=O)OC)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915791 463496908 /nfs/dbraw/zinc/49/69/08/463496908.db2.gz YOYGBYAOPBGBDF-KRWDZBQOSA-N 2 2 336.480 2.011 10 0 EEAELP CCCC[C@@H](C(=O)OC)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915791 463496914 /nfs/dbraw/zinc/49/69/14/463496914.db2.gz YOYGBYAOPBGBDF-KRWDZBQOSA-N 2 2 336.480 2.011 10 0 EEAELP CC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106103332 463506458 /nfs/dbraw/zinc/50/64/58/463506458.db2.gz VPGJREGYWKOAMP-SJLPKXTDSA-N 2 2 328.460 2.149 10 0 EEAELP CC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C[C@@H](C)O ZINC000106103332 463506462 /nfs/dbraw/zinc/50/64/62/463506462.db2.gz VPGJREGYWKOAMP-SJLPKXTDSA-N 2 2 328.460 2.149 10 0 EEAELP COc1c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)nn1C ZINC000058314830 463576317 /nfs/dbraw/zinc/57/63/17/463576317.db2.gz OCZWUXNRZNBHFA-UHFFFAOYSA-N 2 2 328.460 2.491 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163412255 463586668 /nfs/dbraw/zinc/58/66/68/463586668.db2.gz GMIWTMMJKGGAPM-RHSMWYFYSA-N 2 2 349.475 2.415 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163412255 463586674 /nfs/dbraw/zinc/58/66/74/463586674.db2.gz GMIWTMMJKGGAPM-RHSMWYFYSA-N 2 2 349.475 2.415 10 0 EEAELP C[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@H]([NH3+])c1ccccc1 ZINC000164798607 463631522 /nfs/dbraw/zinc/63/15/22/463631522.db2.gz SEAPSQBOAJROBN-YOEHRIQHSA-N 2 2 335.411 2.220 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000178109897 463846279 /nfs/dbraw/zinc/84/62/79/463846279.db2.gz RPGMHHHTQNWSSC-YJBOKZPZSA-N 2 2 330.476 2.107 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000178109897 463846284 /nfs/dbraw/zinc/84/62/84/463846284.db2.gz RPGMHHHTQNWSSC-YJBOKZPZSA-N 2 2 330.476 2.107 10 0 EEAELP CN(C)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000178109897 463846289 /nfs/dbraw/zinc/84/62/89/463846289.db2.gz RPGMHHHTQNWSSC-YJBOKZPZSA-N 2 2 330.476 2.107 10 0 EEAELP CN(C)c1ccc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000178109897 463846296 /nfs/dbraw/zinc/84/62/96/463846296.db2.gz RPGMHHHTQNWSSC-YJBOKZPZSA-N 2 2 330.476 2.107 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1F ZINC000261895742 463890728 /nfs/dbraw/zinc/89/07/28/463890728.db2.gz HCDDWEZUYFERSA-BHIYHBOVSA-N 3 2 335.467 2.134 10 0 EEAELP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261912231 463897775 /nfs/dbraw/zinc/89/77/75/463897775.db2.gz XSKQJZMSZPARSU-JXFKEZNVSA-N 2 2 329.488 2.484 10 0 EEAELP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261912231 463897781 /nfs/dbraw/zinc/89/77/81/463897781.db2.gz XSKQJZMSZPARSU-JXFKEZNVSA-N 2 2 329.488 2.484 10 0 EEAELP FC(F)COCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262096608 463945324 /nfs/dbraw/zinc/94/53/24/463945324.db2.gz IBDJOLBNVVUWHP-GFCCVEGCSA-N 2 2 331.432 2.369 10 0 EEAELP FC(F)COCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262096608 463945331 /nfs/dbraw/zinc/94/53/31/463945331.db2.gz IBDJOLBNVVUWHP-GFCCVEGCSA-N 2 2 331.432 2.369 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCCCCC2)C1 ZINC000195282727 464031394 /nfs/dbraw/zinc/03/13/94/464031394.db2.gz QFQRXDBORGZMGH-LJQANCHMSA-N 2 2 344.503 2.238 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCCCCC2)C1 ZINC000195282727 464031401 /nfs/dbraw/zinc/03/14/01/464031401.db2.gz QFQRXDBORGZMGH-LJQANCHMSA-N 2 2 344.503 2.238 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000195282727 464031406 /nfs/dbraw/zinc/03/14/06/464031406.db2.gz QFQRXDBORGZMGH-LJQANCHMSA-N 2 2 344.503 2.238 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000195282727 464031413 /nfs/dbraw/zinc/03/14/13/464031413.db2.gz QFQRXDBORGZMGH-LJQANCHMSA-N 2 2 344.503 2.238 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000263271510 464075024 /nfs/dbraw/zinc/07/50/24/464075024.db2.gz SGFPXTARBNAGKU-IMJJTQAJSA-N 2 2 337.414 2.010 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263271510 464075029 /nfs/dbraw/zinc/07/50/29/464075029.db2.gz SGFPXTARBNAGKU-IMJJTQAJSA-N 2 2 337.414 2.010 10 0 EEAELP CCN(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)[C@H](C)c1cccnc1 ZINC000179279907 464096194 /nfs/dbraw/zinc/09/61/94/464096194.db2.gz ZAGKCWFELYBOTI-MRXNPFEDSA-N 2 2 347.507 2.200 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663336 464363163 /nfs/dbraw/zinc/36/31/63/464363163.db2.gz MHGZNKIKAJQBNG-OAGGEKHMSA-N 2 2 342.443 2.159 10 0 EEAELP CCC[C@H](NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OCC ZINC000174252890 464384198 /nfs/dbraw/zinc/38/41/98/464384198.db2.gz VYBUGJPGVAIMHM-KRWDZBQOSA-N 2 2 339.524 2.258 10 0 EEAELP CCC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(=O)OCC ZINC000174252890 464384205 /nfs/dbraw/zinc/38/42/05/464384205.db2.gz VYBUGJPGVAIMHM-KRWDZBQOSA-N 2 2 339.524 2.258 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000281302187 464406165 /nfs/dbraw/zinc/40/61/65/464406165.db2.gz YRTITBPYXVOCOJ-RDJZCZTQSA-N 2 2 336.501 2.064 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000281302187 464406167 /nfs/dbraw/zinc/40/61/67/464406167.db2.gz YRTITBPYXVOCOJ-RDJZCZTQSA-N 2 2 336.501 2.064 10 0 EEAELP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1nccn1Cc1ccccc1 ZINC000174726624 464443437 /nfs/dbraw/zinc/44/34/37/464443437.db2.gz FTYYQOUKULTGHT-UHFFFAOYSA-N 2 2 341.503 2.001 10 0 EEAELP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nccn1Cc1ccccc1 ZINC000174726624 464443442 /nfs/dbraw/zinc/44/34/42/464443442.db2.gz FTYYQOUKULTGHT-UHFFFAOYSA-N 2 2 341.503 2.001 10 0 EEAELP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)s1 ZINC000181388905 464482705 /nfs/dbraw/zinc/48/27/05/464482705.db2.gz SVBJZSSXVSKKCI-HIFRSBDPSA-N 2 2 341.521 2.138 10 0 EEAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000579788016 468407875 /nfs/dbraw/zinc/40/78/75/468407875.db2.gz CURFFABQJJCGAR-WMLDXEAASA-N 2 2 330.476 2.254 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272292721 464552434 /nfs/dbraw/zinc/55/24/34/464552434.db2.gz VKSFWOKEUZCUQM-CABCVRRESA-N 2 2 327.432 2.118 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272292721 464552435 /nfs/dbraw/zinc/55/24/35/464552435.db2.gz VKSFWOKEUZCUQM-CABCVRRESA-N 2 2 327.432 2.118 10 0 EEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)cs1 ZINC000182112067 464574530 /nfs/dbraw/zinc/57/45/30/464574530.db2.gz NZVLQRWXWXUNOK-QGZVFWFLSA-N 2 2 344.484 2.186 10 0 EEAELP Cc1nc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)cs1 ZINC000182112067 464574535 /nfs/dbraw/zinc/57/45/35/464574535.db2.gz NZVLQRWXWXUNOK-QGZVFWFLSA-N 2 2 344.484 2.186 10 0 EEAELP CC[C@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC(C)(C)C ZINC000190605562 464685794 /nfs/dbraw/zinc/68/57/94/464685794.db2.gz MTPOURUYLMMNMK-KGLIPLIRSA-N 2 2 349.479 2.197 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248642221 464777874 /nfs/dbraw/zinc/77/78/74/464777874.db2.gz CZHGILNXXIRRDY-OALUTQOASA-N 2 2 333.476 2.379 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCO[C@H]2CCCCO2)C1 ZINC000248642221 464777877 /nfs/dbraw/zinc/77/78/77/464777877.db2.gz CZHGILNXXIRRDY-OALUTQOASA-N 2 2 333.476 2.379 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000248642221 464777882 /nfs/dbraw/zinc/77/78/82/464777882.db2.gz CZHGILNXXIRRDY-OALUTQOASA-N 2 2 333.476 2.379 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCO[C@H]2CCCCO2)C1 ZINC000248642221 464777884 /nfs/dbraw/zinc/77/78/84/464777884.db2.gz CZHGILNXXIRRDY-OALUTQOASA-N 2 2 333.476 2.379 10 0 EEAELP Cc1ccc(O)c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000275885967 464791424 /nfs/dbraw/zinc/79/14/24/464791424.db2.gz ZDGROURTJGOZMD-QGZVFWFLSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1ccc(O)c(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000275885967 464791429 /nfs/dbraw/zinc/79/14/29/464791429.db2.gz ZDGROURTJGOZMD-QGZVFWFLSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1ccc(O)c(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000275885967 464791433 /nfs/dbraw/zinc/79/14/33/464791433.db2.gz ZDGROURTJGOZMD-QGZVFWFLSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1ccc(O)c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000275885967 464791437 /nfs/dbraw/zinc/79/14/37/464791437.db2.gz ZDGROURTJGOZMD-QGZVFWFLSA-N 2 2 326.444 2.445 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000266716484 464798406 /nfs/dbraw/zinc/79/84/06/464798406.db2.gz RSUMCVFYKDPILD-HOTGVXAUSA-N 2 2 327.432 2.103 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000266716484 464798410 /nfs/dbraw/zinc/79/84/10/464798410.db2.gz RSUMCVFYKDPILD-HOTGVXAUSA-N 2 2 327.432 2.103 10 0 EEAELP COCc1cnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000342932293 465395984 /nfs/dbraw/zinc/39/59/84/465395984.db2.gz ALUVHQAIZFXEOZ-UHFFFAOYSA-N 2 2 339.505 2.366 10 0 EEAELP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000330157870 465553361 /nfs/dbraw/zinc/55/33/61/465553361.db2.gz ZMMGAONWTXPFHI-RHSMWYFYSA-N 2 2 342.447 2.309 10 0 EEAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000371177544 465633065 /nfs/dbraw/zinc/63/30/65/465633065.db2.gz TZAXQUSJGUFMBQ-OAHLLOKOSA-N 2 2 333.480 2.277 10 0 EEAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000371177544 465633073 /nfs/dbraw/zinc/63/30/73/465633073.db2.gz TZAXQUSJGUFMBQ-OAHLLOKOSA-N 2 2 333.480 2.277 10 0 EEAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000371177544 465633081 /nfs/dbraw/zinc/63/30/81/465633081.db2.gz TZAXQUSJGUFMBQ-OAHLLOKOSA-N 2 2 333.480 2.277 10 0 EEAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000371177544 465633090 /nfs/dbraw/zinc/63/30/90/465633090.db2.gz TZAXQUSJGUFMBQ-OAHLLOKOSA-N 2 2 333.480 2.277 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000353159425 465681607 /nfs/dbraw/zinc/68/16/07/465681607.db2.gz RYYXCBNFLLTOID-LBPRGKRZSA-N 2 2 332.370 2.326 10 0 EEAELP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000353159425 465681617 /nfs/dbraw/zinc/68/16/17/465681617.db2.gz RYYXCBNFLLTOID-LBPRGKRZSA-N 2 2 332.370 2.326 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000348636025 465720555 /nfs/dbraw/zinc/72/05/55/465720555.db2.gz PPCQOADAABCIPK-YJBOKZPZSA-N 2 2 335.467 2.147 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000348636025 465720561 /nfs/dbraw/zinc/72/05/61/465720561.db2.gz PPCQOADAABCIPK-YJBOKZPZSA-N 2 2 335.467 2.147 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000348636025 465720566 /nfs/dbraw/zinc/72/05/66/465720566.db2.gz PPCQOADAABCIPK-YJBOKZPZSA-N 2 2 335.467 2.147 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000348636025 465720574 /nfs/dbraw/zinc/72/05/74/465720574.db2.gz PPCQOADAABCIPK-YJBOKZPZSA-N 2 2 335.467 2.147 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000348695432 465746553 /nfs/dbraw/zinc/74/65/53/465746553.db2.gz JQKQWTWIVOZCSJ-NSISKUIASA-N 2 2 325.456 2.410 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000348695432 465746560 /nfs/dbraw/zinc/74/65/60/465746560.db2.gz JQKQWTWIVOZCSJ-NSISKUIASA-N 2 2 325.456 2.410 10 0 EEAELP C[C@@H](C1CC1)n1nccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000361112026 465772296 /nfs/dbraw/zinc/77/22/96/465772296.db2.gz WOCKXSMISDBQKJ-AWEZNQCLSA-N 2 2 348.495 2.002 10 0 EEAELP O=C(NCCCCNc1cccc[nH+]1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000357119157 465786630 /nfs/dbraw/zinc/78/66/30/465786630.db2.gz RHYGOUJRFBHVHI-UHFFFAOYSA-N 2 2 336.399 2.284 10 0 EEAELP CN(C)c1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000362633910 465898413 /nfs/dbraw/zinc/89/84/13/465898413.db2.gz BXIJHPOPOZZHAX-ZBFHGGJFSA-N 2 2 333.386 2.678 10 0 EEAELP CN(C)c1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cc[nH+]1 ZINC000362633910 465898419 /nfs/dbraw/zinc/89/84/19/465898419.db2.gz BXIJHPOPOZZHAX-ZBFHGGJFSA-N 2 2 333.386 2.678 10 0 EEAELP Brc1ccc2[nH+]ccc(NC[C@@H]3C[NH+]4CCN3CC4)c2c1 ZINC000301809650 466036299 /nfs/dbraw/zinc/03/62/99/466036299.db2.gz ZOGAAKPBMSGCPX-CYBMUJFWSA-N 2 2 347.260 2.409 10 0 EEAELP Brc1ccc2[nH+]ccc(NC[C@@H]3CN4CC[NH+]3CC4)c2c1 ZINC000301809650 466036305 /nfs/dbraw/zinc/03/63/05/466036305.db2.gz ZOGAAKPBMSGCPX-CYBMUJFWSA-N 2 2 347.260 2.409 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361531396 466080448 /nfs/dbraw/zinc/08/04/48/466080448.db2.gz REKRIIUAFCETIS-INIZCTEOSA-N 2 2 335.448 2.190 10 0 EEAELP CNc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)[nH+]cc1Br ZINC000302767207 466181321 /nfs/dbraw/zinc/18/13/21/466181321.db2.gz YVLBFWLPVLMJSR-JQWIXIFHSA-N 2 2 340.269 2.201 10 0 EEAELP CNc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)[nH+]cc1Br ZINC000302767207 466181326 /nfs/dbraw/zinc/18/13/26/466181326.db2.gz YVLBFWLPVLMJSR-JQWIXIFHSA-N 2 2 340.269 2.201 10 0 EEAELP COc1cccc([C@H]2[C@H]([NH2+]CCn3cc[nH+]c3)CCN2C2CC2)c1 ZINC000367252419 466217734 /nfs/dbraw/zinc/21/77/34/466217734.db2.gz MVAXILPTXPZMRG-MOPGFXCFSA-N 2 2 326.444 2.459 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000338758251 466361220 /nfs/dbraw/zinc/36/12/20/466361220.db2.gz PARLZMZZHDVOEA-GJZGRUSLSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000338758251 466361230 /nfs/dbraw/zinc/36/12/30/466361230.db2.gz PARLZMZZHDVOEA-GJZGRUSLSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338840333 466416559 /nfs/dbraw/zinc/41/65/59/466416559.db2.gz KLVJWWLMMNKHAQ-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338840333 466416563 /nfs/dbraw/zinc/41/65/63/466416563.db2.gz KLVJWWLMMNKHAQ-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423242222 466702588 /nfs/dbraw/zinc/70/25/88/466702588.db2.gz DZLHACBEQQGSTM-RHSMWYFYSA-N 2 2 347.484 2.301 10 0 EEAELP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423242224 466702601 /nfs/dbraw/zinc/70/26/01/466702601.db2.gz DZLHACBEQQGSTM-WMLDXEAASA-N 2 2 347.484 2.301 10 0 EEAELP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000423365727 466729329 /nfs/dbraw/zinc/72/93/29/466729329.db2.gz PNCYBOOKORQGFS-PVAVHDDUSA-N 2 2 333.476 2.192 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000423494964 466757911 /nfs/dbraw/zinc/75/79/11/466757911.db2.gz SYTNVQHBKKXZNN-PXNSSMCTSA-N 3 2 331.504 2.050 10 0 EEAELP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)C1 ZINC000365751678 466929145 /nfs/dbraw/zinc/92/91/45/466929145.db2.gz DJZZRHHWAZSMBE-IBGZPJMESA-N 2 2 339.487 2.084 10 0 EEAELP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)C1 ZINC000365751678 466929147 /nfs/dbraw/zinc/92/91/47/466929147.db2.gz DJZZRHHWAZSMBE-IBGZPJMESA-N 2 2 339.487 2.084 10 0 EEAELP COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000412082369 467000223 /nfs/dbraw/zinc/00/02/23/467000223.db2.gz ROFBYRMRERZMKM-OAHLLOKOSA-N 2 2 331.441 2.210 10 0 EEAELP COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000412082369 467000225 /nfs/dbraw/zinc/00/02/25/467000225.db2.gz ROFBYRMRERZMKM-OAHLLOKOSA-N 2 2 331.441 2.210 10 0 EEAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000418604651 467134840 /nfs/dbraw/zinc/13/48/40/467134840.db2.gz XWNXVTYPQUMZEV-RDJZCZTQSA-N 2 2 341.459 2.071 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427888443 467184233 /nfs/dbraw/zinc/18/42/33/467184233.db2.gz XBYADMJYAJVKBB-LSDHHAIUSA-N 2 2 329.366 2.134 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427888443 467184235 /nfs/dbraw/zinc/18/42/35/467184235.db2.gz XBYADMJYAJVKBB-LSDHHAIUSA-N 2 2 329.366 2.134 10 0 EEAELP Cc1ccc(CCC[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c[nH+]1 ZINC000428290804 467220307 /nfs/dbraw/zinc/22/03/07/467220307.db2.gz ZXUVZFDDLTXVRA-LJQANCHMSA-N 2 2 345.487 2.426 10 0 EEAELP Cc1ccc(CCC[N@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)c[nH+]1 ZINC000428290804 467220308 /nfs/dbraw/zinc/22/03/08/467220308.db2.gz ZXUVZFDDLTXVRA-LJQANCHMSA-N 2 2 345.487 2.426 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429020728 467293513 /nfs/dbraw/zinc/29/35/13/467293513.db2.gz NVSSZBYJNFUYME-UZLBHIALSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429020728 467293516 /nfs/dbraw/zinc/29/35/16/467293516.db2.gz NVSSZBYJNFUYME-UZLBHIALSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429020728 467293521 /nfs/dbraw/zinc/29/35/21/467293521.db2.gz NVSSZBYJNFUYME-UZLBHIALSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429020728 467293524 /nfs/dbraw/zinc/29/35/24/467293524.db2.gz NVSSZBYJNFUYME-UZLBHIALSA-N 2 2 345.487 2.242 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379656953 467370026 /nfs/dbraw/zinc/37/00/26/467370026.db2.gz QXSQXLVSJRXSLJ-MISYRCLQSA-N 2 2 331.504 2.398 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000414274678 467396793 /nfs/dbraw/zinc/39/67/93/467396793.db2.gz VHEHVTWNAYZIAC-VBSBHUPXSA-N 2 2 331.504 2.063 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000414274678 467396796 /nfs/dbraw/zinc/39/67/96/467396796.db2.gz VHEHVTWNAYZIAC-VBSBHUPXSA-N 2 2 331.504 2.063 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cccn2)cc1 ZINC000453266993 467473144 /nfs/dbraw/zinc/47/31/44/467473144.db2.gz OVHFRDWEGMOBAL-VQIMIIECSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(-n2cccn2)cc1 ZINC000453266993 467473147 /nfs/dbraw/zinc/47/31/47/467473147.db2.gz OVHFRDWEGMOBAL-VQIMIIECSA-N 2 2 328.460 2.370 10 0 EEAELP CCc1ccccc1[C@H]([NH3+])C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000415070435 467481337 /nfs/dbraw/zinc/48/13/37/467481337.db2.gz UZXMFSICHJPNLK-GOSISDBHSA-N 2 2 337.423 2.135 10 0 EEAELP 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LDNQLHGAVQQEDA-BRWVUGGUSA-N 2 2 348.491 2.944 10 0 EEAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901219 471011907 /nfs/dbraw/zinc/01/19/07/471011907.db2.gz LDNQLHGAVQQEDA-BRWVUGGUSA-N 2 2 348.491 2.944 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901859 471012016 /nfs/dbraw/zinc/01/20/16/471012016.db2.gz WQDAJWWRPXMAPG-RTBURBONSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901859 471012020 /nfs/dbraw/zinc/01/20/20/471012020.db2.gz WQDAJWWRPXMAPG-RTBURBONSA-N 2 2 329.488 2.118 10 0 EEAELP O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCN1c1ccccc1F ZINC000647904146 471013140 /nfs/dbraw/zinc/01/31/40/471013140.db2.gz XNFFMBHNFRSZIC-QILLFSRXSA-N 2 2 331.435 2.395 10 0 EEAELP O=C1[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CCN1c1ccccc1F ZINC000647904146 471013143 /nfs/dbraw/zinc/01/31/43/471013143.db2.gz XNFFMBHNFRSZIC-QILLFSRXSA-N 2 2 331.435 2.395 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651662646 471075870 /nfs/dbraw/zinc/07/58/70/471075870.db2.gz IUAHCBTUDOFGKD-INIZCTEOSA-N 2 2 340.471 2.399 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651662646 471075877 /nfs/dbraw/zinc/07/58/77/471075877.db2.gz IUAHCBTUDOFGKD-INIZCTEOSA-N 2 2 340.471 2.399 10 0 EEAELP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000645237041 471187869 /nfs/dbraw/zinc/18/78/69/471187869.db2.gz UVKZTWXQHZYMLK-CYBMUJFWSA-N 2 2 343.393 2.477 10 0 EEAELP CCCN(CC[NH+]1CCCCC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652104179 471233074 /nfs/dbraw/zinc/23/30/74/471233074.db2.gz JBYYMQLBQVKNJW-UHFFFAOYSA-N 2 2 332.492 2.486 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C[C@H](C)O1 ZINC000657799991 471235025 /nfs/dbraw/zinc/23/50/25/471235025.db2.gz ADCKQRIZLRTAPH-LCLWPZTBSA-N 2 2 331.504 2.348 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C[C@H](C)O1 ZINC000657799991 471235028 /nfs/dbraw/zinc/23/50/28/471235028.db2.gz ADCKQRIZLRTAPH-LCLWPZTBSA-N 2 2 331.504 2.348 10 0 EEAELP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658114657 471267265 /nfs/dbraw/zinc/26/72/65/471267265.db2.gz KZXSAYCRNZVYEQ-MISYRCLQSA-N 2 2 347.503 2.202 10 0 EEAELP COC1CCC([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658342231 471289804 /nfs/dbraw/zinc/28/98/04/471289804.db2.gz MIAVENYMDDWFRF-GPJFCIFZSA-N 2 2 331.504 2.350 10 0 EEAELP COC1CCC([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658342231 471289806 /nfs/dbraw/zinc/28/98/06/471289806.db2.gz MIAVENYMDDWFRF-GPJFCIFZSA-N 2 2 331.504 2.350 10 0 EEAELP [NH3+]CC1(CCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000652563313 471308764 /nfs/dbraw/zinc/30/87/64/471308764.db2.gz IMSHXVJNXOQZRZ-UHFFFAOYSA-N 2 2 337.493 2.380 10 0 EEAELP Cc1ccoc1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000669252182 471431983 /nfs/dbraw/zinc/43/19/83/471431983.db2.gz JZAHJHBERVWHFF-UHFFFAOYSA-N 2 2 333.476 2.197 10 0 EEAELP Cn1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C(F)(F)F)n1 ZINC000655734686 471461483 /nfs/dbraw/zinc/46/14/83/471461483.db2.gz MCNOYYNLGFFRNJ-CQSZACIVSA-N 2 2 346.397 2.172 10 0 EEAELP CC(C)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCc2cccnc21 ZINC000653156765 471511105 /nfs/dbraw/zinc/51/11/05/471511105.db2.gz KYTGYSVZPSRXQW-DLBZAZTESA-N 2 2 332.492 2.223 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000659318069 471579647 /nfs/dbraw/zinc/57/96/47/471579647.db2.gz YOFFNBTYGXBJCZ-INIZCTEOSA-N 2 2 340.427 2.293 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000659429504 471622613 /nfs/dbraw/zinc/62/26/13/471622613.db2.gz PFNLLYBERMISMO-CVEARBPZSA-N 2 2 347.438 2.321 10 0 EEAELP C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000667033124 471629277 /nfs/dbraw/zinc/62/92/77/471629277.db2.gz DUSOMHNRHZDGNS-MRXNPFEDSA-N 2 2 332.492 2.485 10 0 EEAELP C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000667033124 471629283 /nfs/dbraw/zinc/62/92/83/471629283.db2.gz DUSOMHNRHZDGNS-MRXNPFEDSA-N 2 2 332.492 2.485 10 0 EEAELP C[C@@H](CNc1cc[nH+]c(N2CCCCC2)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210496 471635731 /nfs/dbraw/zinc/63/57/31/471635731.db2.gz DTEJIAUAZOFZSC-HRCADAONSA-N 2 2 333.480 2.377 10 0 EEAELP C[C@@H](CNc1cc[nH+]c(N2CCCCC2)n1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210496 471635733 /nfs/dbraw/zinc/63/57/33/471635733.db2.gz DTEJIAUAZOFZSC-HRCADAONSA-N 2 2 333.480 2.377 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000664143503 471653215 /nfs/dbraw/zinc/65/32/15/471653215.db2.gz YWMZJHYGZIZHEH-HUUCEWRRSA-N 2 2 333.480 2.113 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000664143503 471653221 /nfs/dbraw/zinc/65/32/21/471653221.db2.gz YWMZJHYGZIZHEH-HUUCEWRRSA-N 2 2 333.480 2.113 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000670076493 471669879 /nfs/dbraw/zinc/66/98/79/471669879.db2.gz MULTXQPLMSATBB-INIZCTEOSA-N 2 2 345.491 2.488 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000670076493 471669885 /nfs/dbraw/zinc/66/98/85/471669885.db2.gz MULTXQPLMSATBB-INIZCTEOSA-N 2 2 345.491 2.488 10 0 EEAELP C[C@H](NC(=O)Nc1cc[nH+]cc1N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000670079208 471672245 /nfs/dbraw/zinc/67/22/45/471672245.db2.gz BIXCWNYRGIHDCI-GJZGRUSLSA-N 2 2 345.491 2.344 10 0 EEAELP C[C@H](NC(=O)Nc1cc[nH+]cc1N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000670079208 471672246 /nfs/dbraw/zinc/67/22/46/471672246.db2.gz BIXCWNYRGIHDCI-GJZGRUSLSA-N 2 2 345.491 2.344 10 0 EEAELP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000667250086 471709339 /nfs/dbraw/zinc/70/93/39/471709339.db2.gz HHDNBRRYQFNSDQ-CZUORRHYSA-N 2 2 345.447 2.092 10 0 EEAELP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000664299085 471711499 /nfs/dbraw/zinc/71/14/99/471711499.db2.gz NENZEALKDLJSSI-IAGOWNOFSA-N 2 2 334.508 2.361 10 0 EEAELP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000664299085 471711504 /nfs/dbraw/zinc/71/15/04/471711504.db2.gz NENZEALKDLJSSI-IAGOWNOFSA-N 2 2 334.508 2.361 10 0 EEAELP CSc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000659878643 471775701 /nfs/dbraw/zinc/77/57/01/471775701.db2.gz OYYPHHNZGVXFCG-UHFFFAOYSA-N 2 2 333.501 2.149 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@]4(C)COC[C@]4(C)C3)c2cc1C ZINC000661502348 471780468 /nfs/dbraw/zinc/78/04/68/471780468.db2.gz OCXSWCJYWUKLSN-AHRSYUTCSA-N 2 2 343.471 2.372 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@]4(C)COC[C@]4(C)C3)c2cc1C ZINC000661502348 471780472 /nfs/dbraw/zinc/78/04/72/471780472.db2.gz OCXSWCJYWUKLSN-AHRSYUTCSA-N 2 2 343.471 2.372 10 0 EEAELP Cc1[nH+]cc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)n1C ZINC000667502684 471802787 /nfs/dbraw/zinc/80/27/87/471802787.db2.gz LYCPLWCUQFUAOK-UHFFFAOYSA-N 2 2 326.444 2.431 10 0 EEAELP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cn(C4CCC4)nn3)[nH+]c2)C1 ZINC000656770896 471837193 /nfs/dbraw/zinc/83/71/93/471837193.db2.gz WJGPWPKOPRWHNQ-KRWDZBQOSA-N 2 2 341.463 2.151 10 0 EEAELP CC[N@H+](CCNC(=O)N[C@H](C)c1[nH+]ccn1C)CCC(F)(F)F ZINC000664747493 471851907 /nfs/dbraw/zinc/85/19/07/471851907.db2.gz OKZDRVQCQHEJDL-LLVKDONJSA-N 2 2 335.374 2.055 10 0 EEAELP CC[N@@H+](CCNC(=O)N[C@H](C)c1[nH+]ccn1C)CCC(F)(F)F ZINC000664747493 471851909 /nfs/dbraw/zinc/85/19/09/471851909.db2.gz OKZDRVQCQHEJDL-LLVKDONJSA-N 2 2 335.374 2.055 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc(Cn3cc[nH+]c3)n2)O1 ZINC000664998262 471922747 /nfs/dbraw/zinc/92/27/47/471922747.db2.gz APXMEUXQAJSELC-GDBMZVCRSA-N 2 2 339.399 2.276 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc(Cn3cc[nH+]c3)n2)O1 ZINC000664998262 471922749 /nfs/dbraw/zinc/92/27/49/471922749.db2.gz APXMEUXQAJSELC-GDBMZVCRSA-N 2 2 339.399 2.276 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@H](OC)[C@@H]2CCOC2)[C@H]2CCC[NH2+]2)cc1 ZINC000665234311 471975765 /nfs/dbraw/zinc/97/57/65/471975765.db2.gz ATOFLBZLRLQLJU-YSHGAJCASA-N 2 2 334.460 2.129 10 0 EEAELP CC[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccccc1F ZINC000665248047 471979488 /nfs/dbraw/zinc/97/94/88/471979488.db2.gz NYHPAPRYJPGSLG-QGZVFWFLSA-N 2 2 338.471 2.460 10 0 EEAELP CC[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccccc1F ZINC000665248047 471979492 /nfs/dbraw/zinc/97/94/92/471979492.db2.gz NYHPAPRYJPGSLG-QGZVFWFLSA-N 2 2 338.471 2.460 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2cnn(C)c2)cc1F ZINC000665258763 471982536 /nfs/dbraw/zinc/98/25/36/471982536.db2.gz KYWXRJJYWVHAKE-NUTKFTJISA-N 2 2 332.423 2.364 10 0 EEAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665347175 472015211 /nfs/dbraw/zinc/01/52/11/472015211.db2.gz FVYJDHHHXBJGPL-BBRMVZONSA-N 2 2 328.416 2.061 10 0 EEAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665347175 472015216 /nfs/dbraw/zinc/01/52/16/472015216.db2.gz FVYJDHHHXBJGPL-BBRMVZONSA-N 2 2 328.416 2.061 10 0 EEAELP CN(Cc1c(C2CCC2)cnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668161873 472033111 /nfs/dbraw/zinc/03/31/11/472033111.db2.gz HWADJQALJILFSI-SFHVURJKSA-N 2 2 345.535 2.288 10 0 EEAELP CN(Cc1c(C2CCC2)cnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668161873 472033118 /nfs/dbraw/zinc/03/31/18/472033118.db2.gz HWADJQALJILFSI-SFHVURJKSA-N 2 2 345.535 2.288 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668161873 472033122 /nfs/dbraw/zinc/03/31/22/472033122.db2.gz HWADJQALJILFSI-SFHVURJKSA-N 2 2 345.535 2.288 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668161873 472033126 /nfs/dbraw/zinc/03/31/26/472033126.db2.gz HWADJQALJILFSI-SFHVURJKSA-N 2 2 345.535 2.288 10 0 EEAELP C[C@H](C(=O)NCC1CCCCC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320426 472068876 /nfs/dbraw/zinc/06/88/76/472068876.db2.gz UGBZHFCMMQGMQW-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H](C(=O)NCC1CCCCC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320426 472068881 /nfs/dbraw/zinc/06/88/81/472068881.db2.gz UGBZHFCMMQGMQW-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319180 472068923 /nfs/dbraw/zinc/06/89/23/472068923.db2.gz KBZXYCUVVYICIG-SJLPKXTDSA-N 2 2 339.524 2.209 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319180 472068926 /nfs/dbraw/zinc/06/89/26/472068926.db2.gz KBZXYCUVVYICIG-SJLPKXTDSA-N 2 2 339.524 2.209 10 0 EEAELP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000673652432 485488353 /nfs/dbraw/zinc/48/83/53/485488353.db2.gz KDXIHUNEGMPMNM-QGZVFWFLSA-N 2 2 339.443 2.175 10 0 EEAELP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000673652432 485488362 /nfs/dbraw/zinc/48/83/62/485488362.db2.gz KDXIHUNEGMPMNM-QGZVFWFLSA-N 2 2 339.443 2.175 10 0 EEAELP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000631065921 485763996 /nfs/dbraw/zinc/76/39/96/485763996.db2.gz WUVREBAMQCZNQC-SFHVURJKSA-N 2 2 343.475 2.056 10 0 EEAELP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)c1 ZINC000631065921 485764003 /nfs/dbraw/zinc/76/40/03/485764003.db2.gz WUVREBAMQCZNQC-SFHVURJKSA-N 2 2 343.475 2.056 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000680913963 486084512 /nfs/dbraw/zinc/08/45/12/486084512.db2.gz IMDBHQGAPDCBKF-HOCLYGCPSA-N 2 2 336.505 2.231 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000680913963 486084515 /nfs/dbraw/zinc/08/45/15/486084515.db2.gz IMDBHQGAPDCBKF-HOCLYGCPSA-N 2 2 336.505 2.231 10 0 EEAELP CCc1cc(C)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000676053899 486128572 /nfs/dbraw/zinc/12/85/72/486128572.db2.gz AYPSUEVESUYSKB-MRXNPFEDSA-N 2 2 333.476 2.391 10 0 EEAELP CCc1cc(C)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000676053899 486128576 /nfs/dbraw/zinc/12/85/76/486128576.db2.gz AYPSUEVESUYSKB-MRXNPFEDSA-N 2 2 333.476 2.391 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c[nH+]1 ZINC000173762720 528302980 /nfs/dbraw/zinc/30/29/80/528302980.db2.gz TWYOCPKSSWANLX-QGZVFWFLSA-N 2 2 343.475 2.084 10 0 EEAELP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423021473 537098264 /nfs/dbraw/zinc/09/82/64/537098264.db2.gz FFJMZCJZMLEZIV-CCKFTAQKSA-N 2 2 334.460 2.067 10 0 EEAELP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000753366931 577785899 /nfs/dbraw/zinc/78/58/99/577785899.db2.gz FPPTYQHNMPKHIF-HUUCEWRRSA-N 2 2 330.457 2.158 10 0 EEAELP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000753366931 577785900 /nfs/dbraw/zinc/78/59/00/577785900.db2.gz FPPTYQHNMPKHIF-HUUCEWRRSA-N 2 2 330.457 2.158 10 0 EEAELP Cc1cccc(C2(O)CC[NH+](C[C@H](O)C[NH+]3CCCC3)CC2)c1C ZINC000741811878 578124874 /nfs/dbraw/zinc/12/48/74/578124874.db2.gz VAIYMFZJXQRTDN-GOSISDBHSA-N 2 2 332.488 2.044 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCc2ccccc2OCC[NH+](C)C)c[nH+]1 ZINC000895978304 684794188 /nfs/dbraw/zinc/79/41/88/684794188.db2.gz JZDFFIWESIDACY-UHFFFAOYSA-N 2 2 344.459 2.183 10 0 EEAELP C[NH+](C)Cc1cc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)ccc1Cl ZINC000897652749 691729789 /nfs/dbraw/zinc/72/97/89/691729789.db2.gz HLIQBBSDVCPKSY-HNNXBMFYSA-N 2 2 337.851 2.061 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898494756 693339982 /nfs/dbraw/zinc/33/99/82/693339982.db2.gz ODLAASUIRBXLKZ-SFHVURJKSA-N 2 2 342.418 2.411 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000898494756 693339985 /nfs/dbraw/zinc/33/99/85/693339985.db2.gz ODLAASUIRBXLKZ-SFHVURJKSA-N 2 2 342.418 2.411 10 0 EEAELP O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C23CCCC3)C1 ZINC000925734753 693378246 /nfs/dbraw/zinc/37/82/46/693378246.db2.gz RHSYAAKNWZUYQA-DJIMGWMZSA-N 2 2 334.485 2.256 10 0 EEAELP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001485509824 1191820139 /nfs/dbraw/zinc/82/01/39/1191820139.db2.gz CYYHRVUWGOKAPB-UDLYIEAKSA-N 2 2 330.476 2.238 10 0 EEAELP C[C@@H](CCC[NH2+]CC1CC2(CCC2)C1)NC(=O)Cc1c[nH+]cn1C ZINC001485744887 1191928517 /nfs/dbraw/zinc/92/85/17/1191928517.db2.gz OIXNIKLFBINQDD-HNNXBMFYSA-N 2 2 332.492 2.417 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001267059418 1178169758 /nfs/dbraw/zinc/16/97/58/1178169758.db2.gz WPYDHTOQCPDTGC-PYJQOMOHSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cccc(Cl)n1 ZINC001267132927 1178304453 /nfs/dbraw/zinc/30/44/53/1178304453.db2.gz UQWJJQPIJANYRJ-MRVWCRGKSA-N 2 2 347.850 2.246 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cccc(Cl)n1 ZINC001267132927 1178304461 /nfs/dbraw/zinc/30/44/61/1178304461.db2.gz UQWJJQPIJANYRJ-MRVWCRGKSA-N 2 2 347.850 2.246 10 0 EEAELP O=C(NC[C@H]1CCC[N@H+]1CCCCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001267271247 1178649680 /nfs/dbraw/zinc/64/96/80/1178649680.db2.gz RJXZLLMAWUYTFQ-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NC[C@H]1CCC[N@@H+]1CCCCCF)[C@H]1CCn2c[nH+]cc2C1 ZINC001267271247 1178649688 /nfs/dbraw/zinc/64/96/88/1178649688.db2.gz RJXZLLMAWUYTFQ-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001267283384 1178676820 /nfs/dbraw/zinc/67/68/20/1178676820.db2.gz XAYWNLFIWIDVFO-HNNXBMFYSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001267283384 1178676823 /nfs/dbraw/zinc/67/68/23/1178676823.db2.gz XAYWNLFIWIDVFO-HNNXBMFYSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1cccnc1C[NH2+]CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001267387786 1178949025 /nfs/dbraw/zinc/94/90/25/1178949025.db2.gz LAYNYGGBPAYYLC-SFHVURJKSA-N 2 2 343.475 2.422 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)n1 ZINC001267434044 1179002489 /nfs/dbraw/zinc/00/24/89/1179002489.db2.gz QTQCWVUUBCWVDC-HNNXBMFYSA-N 2 2 329.448 2.094 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccc(Cl)n1 ZINC001267512321 1179229735 /nfs/dbraw/zinc/22/97/35/1179229735.db2.gz HJYNXURVBYIGDF-UHFFFAOYSA-N 2 2 349.866 2.348 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccc(Cl)n1 ZINC001267512321 1179229739 /nfs/dbraw/zinc/22/97/39/1179229739.db2.gz HJYNXURVBYIGDF-UHFFFAOYSA-N 2 2 349.866 2.348 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CCC[N@H+]1C/C=C/Cl ZINC001481039289 1179591782 /nfs/dbraw/zinc/59/17/82/1179591782.db2.gz LJTVQILIXMWMCK-NFBGWVBBSA-N 2 2 336.867 2.095 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CCC[N@@H+]1C/C=C/Cl ZINC001481039289 1179591788 /nfs/dbraw/zinc/59/17/88/1179591788.db2.gz LJTVQILIXMWMCK-NFBGWVBBSA-N 2 2 336.867 2.095 10 0 EEAELP Cc1ncc(C[N@@H+](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001481188144 1180036449 /nfs/dbraw/zinc/03/64/49/1180036449.db2.gz VWUNLUPSKPPEIL-HNNXBMFYSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncc(C[N@H+](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001481188144 1180036456 /nfs/dbraw/zinc/03/64/56/1180036456.db2.gz VWUNLUPSKPPEIL-HNNXBMFYSA-N 2 2 348.491 2.328 10 0 EEAELP COc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC001481285531 1180846447 /nfs/dbraw/zinc/84/64/47/1180846447.db2.gz IHHUZUVAGGRPSP-OAHLLOKOSA-N 2 2 330.432 2.091 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1C[NH+]([C@H](C)c2ccc(F)cc2F)C1 ZINC001481635746 1181992125 /nfs/dbraw/zinc/99/21/25/1181992125.db2.gz OQIRDAMXWQBDIS-CYBMUJFWSA-N 2 2 348.397 2.279 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268379558 1182404745 /nfs/dbraw/zinc/40/47/45/1182404745.db2.gz SNFLSKKUYGPNBB-GOEBONIOSA-N 2 2 344.434 2.269 10 0 EEAELP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001481780139 1182683184 /nfs/dbraw/zinc/68/31/84/1182683184.db2.gz ZJQOVANQBTXTAV-IRXDYDNUSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001481780139 1182683191 /nfs/dbraw/zinc/68/31/91/1182683191.db2.gz ZJQOVANQBTXTAV-IRXDYDNUSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001481780139 1182683198 /nfs/dbraw/zinc/68/31/98/1182683198.db2.gz ZJQOVANQBTXTAV-IRXDYDNUSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001481780139 1182683205 /nfs/dbraw/zinc/68/32/05/1182683205.db2.gz ZJQOVANQBTXTAV-IRXDYDNUSA-N 2 2 348.491 2.056 10 0 EEAELP CC[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CC=C(C)C ZINC001481813637 1182729543 /nfs/dbraw/zinc/72/95/43/1182729543.db2.gz JWWBMEHZQRYMRS-YOEHRIQHSA-N 2 2 333.480 2.241 10 0 EEAELP CC[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CC=C(C)C ZINC001481813637 1182729549 /nfs/dbraw/zinc/72/95/49/1182729549.db2.gz JWWBMEHZQRYMRS-YOEHRIQHSA-N 2 2 333.480 2.241 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]C[C@@H]3CC[C@@H](C)O3)ccn12 ZINC001268539526 1183205504 /nfs/dbraw/zinc/20/55/04/1183205504.db2.gz UTGTVBYXZCLWOH-MXTKCAFNSA-N 2 2 342.443 2.086 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC1=CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001268559569 1183254922 /nfs/dbraw/zinc/25/49/22/1183254922.db2.gz FPNGISUDKCRVEN-CHYADLBTSA-N 2 2 328.460 2.208 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1c(F)cccc1F ZINC001268930443 1183832514 /nfs/dbraw/zinc/83/25/14/1183832514.db2.gz BTFZAPKMKWFRIM-UHFFFAOYSA-N 2 2 336.386 2.177 10 0 EEAELP CCOCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC ZINC001269173994 1184030056 /nfs/dbraw/zinc/03/00/56/1184030056.db2.gz HHHWYGQJVLIHLZ-HZPDHXFCSA-N 2 2 344.459 2.201 10 0 EEAELP C[NH+](C)CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001269681737 1184513740 /nfs/dbraw/zinc/51/37/40/1184513740.db2.gz RJJWRKSEBOQREZ-KDURUIRLSA-N 2 2 344.503 2.379 10 0 EEAELP C[NH+](C)CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccnc1 ZINC001269681737 1184513746 /nfs/dbraw/zinc/51/37/46/1184513746.db2.gz RJJWRKSEBOQREZ-KDURUIRLSA-N 2 2 344.503 2.379 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CC1=CCCCC1 ZINC001270436220 1185097718 /nfs/dbraw/zinc/09/77/18/1185097718.db2.gz LSONQWZYFKEUKC-NVXWUHKLSA-N 2 2 330.476 2.288 10 0 EEAELP C[C@@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+](CCCCCF)C1 ZINC001270599353 1185195932 /nfs/dbraw/zinc/19/59/32/1185195932.db2.gz FGPCLGXDNGZQDE-MAUKXSAKSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+](CCCCCF)C1 ZINC001270599353 1185195936 /nfs/dbraw/zinc/19/59/36/1185195936.db2.gz FGPCLGXDNGZQDE-MAUKXSAKSA-N 2 2 336.455 2.166 10 0 EEAELP CC/C=C\CC[N@@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001280414867 1186375515 /nfs/dbraw/zinc/37/55/15/1186375515.db2.gz DZTMJCFXGBYUKQ-QWPQOLDESA-N 2 2 339.524 2.138 10 0 EEAELP CC/C=C\CC[N@H+]1CCOC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001280414867 1186375518 /nfs/dbraw/zinc/37/55/18/1186375518.db2.gz DZTMJCFXGBYUKQ-QWPQOLDESA-N 2 2 339.524 2.138 10 0 EEAELP CC/C=C\CC[NH+]1CCOC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001280414867 1186375522 /nfs/dbraw/zinc/37/55/22/1186375522.db2.gz DZTMJCFXGBYUKQ-QWPQOLDESA-N 2 2 339.524 2.138 10 0 EEAELP CC/C=C\CC[NH+]1CCOC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001280414867 1186375525 /nfs/dbraw/zinc/37/55/25/1186375525.db2.gz DZTMJCFXGBYUKQ-QWPQOLDESA-N 2 2 339.524 2.138 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482930578 1187852044 /nfs/dbraw/zinc/85/20/44/1187852044.db2.gz JUBMXLKWAJKBBL-IAGOWNOFSA-N 2 2 348.491 2.246 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001482930578 1187852049 /nfs/dbraw/zinc/85/20/49/1187852049.db2.gz JUBMXLKWAJKBBL-IAGOWNOFSA-N 2 2 348.491 2.246 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001482960541 1187892835 /nfs/dbraw/zinc/89/28/35/1187892835.db2.gz PJWHVNSLKIYHQY-UHFFFAOYSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C/CNC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483025899 1188028320 /nfs/dbraw/zinc/02/83/20/1188028320.db2.gz ZXIHUNQEZKBGNE-QDLOVBKTSA-N 2 2 346.475 2.182 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)c1cc(C[NH+](C)C)on1)c1ccccc1 ZINC001483028163 1188039207 /nfs/dbraw/zinc/03/92/07/1188039207.db2.gz MFQFGIXFTYFFTB-KIUWMYQTSA-N 2 2 342.443 2.373 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC1CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483028425 1188039910 /nfs/dbraw/zinc/03/99/10/1188039910.db2.gz GMVSESFOACWZSU-VGOKWCNXSA-N 2 2 330.476 2.288 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)CCc2[nH+]ccn2C)c(C)s1 ZINC001483038042 1188081903 /nfs/dbraw/zinc/08/19/03/1188081903.db2.gz RORVTGHNLGFHOB-SNAWJCMRSA-N 2 2 346.500 2.493 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001483069026 1188414788 /nfs/dbraw/zinc/41/47/88/1188414788.db2.gz OXZPMNAJQIHLCW-NHZBNJEXSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001483069026 1188414790 /nfs/dbraw/zinc/41/47/90/1188414790.db2.gz OXZPMNAJQIHLCW-NHZBNJEXSA-N 2 2 344.434 2.498 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001483089942 1188454964 /nfs/dbraw/zinc/45/49/64/1188454964.db2.gz YSHUEXBQJMTQKX-WSNITJDQSA-N 2 2 342.443 2.292 10 0 EEAELP CO[C@@H](C[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001483140796 1188701443 /nfs/dbraw/zinc/70/14/43/1188701443.db2.gz NXLALBVMXSWPBU-PXAZEXFGSA-N 2 2 330.432 2.086 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c(C)c1 ZINC001483145056 1188769190 /nfs/dbraw/zinc/76/91/90/1188769190.db2.gz UVSMQIDVWYTNMR-SJLPKXTDSA-N 2 2 340.471 2.357 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc3ocnc3C)ccn12 ZINC001485877804 1193624306 /nfs/dbraw/zinc/62/43/06/1193624306.db2.gz ZFXHVOGCAZRHRI-GFCCVEGCSA-N 2 2 341.415 2.189 10 0 EEAELP CCOCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001272262259 1189578713 /nfs/dbraw/zinc/57/87/13/1189578713.db2.gz OHDZQSNQLRPFQX-DLBZAZTESA-N 2 2 344.459 2.167 10 0 EEAELP CO[C@H](C)C[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001409773897 1190269868 /nfs/dbraw/zinc/26/98/68/1190269868.db2.gz DDISPVPKYHEDSP-JKSUJKDBSA-N 2 2 336.480 2.278 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001483242169 1190271750 /nfs/dbraw/zinc/27/17/50/1190271750.db2.gz CFEYWQBTWHKZTM-WMZOPIPTSA-N 2 2 340.471 2.357 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1cccc(Cl)c1)C1CC1 ZINC001483608756 1190587917 /nfs/dbraw/zinc/58/79/17/1190587917.db2.gz HBFAAJBFWWXHSA-INIZCTEOSA-N 2 2 332.835 2.221 10 0 EEAELP CC(C)OCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001486120273 1193687697 /nfs/dbraw/zinc/68/76/97/1193687697.db2.gz NEEHYPRBDAWNOX-HZPDHXFCSA-N 2 2 344.459 2.342 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCF)C1 ZINC001483803038 1191044680 /nfs/dbraw/zinc/04/46/80/1191044680.db2.gz YSGGWEPZMHYOFK-DLBZAZTESA-N 2 2 336.455 2.336 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCF)C1 ZINC001483803038 1191044683 /nfs/dbraw/zinc/04/46/83/1191044683.db2.gz YSGGWEPZMHYOFK-DLBZAZTESA-N 2 2 336.455 2.336 10 0 EEAELP Cc1ncsc1C[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001484146652 1191235028 /nfs/dbraw/zinc/23/50/28/1191235028.db2.gz JGMARUWUGRAHHM-UHFFFAOYSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@](C)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)co1 ZINC001484172070 1191258193 /nfs/dbraw/zinc/25/81/93/1191258193.db2.gz CPFNSQMCYKZHOG-VQIMIIECSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@](C)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)co1 ZINC001484172070 1191258195 /nfs/dbraw/zinc/25/81/95/1191258195.db2.gz CPFNSQMCYKZHOG-VQIMIIECSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@](C)(CNC(=O)C[C@H]3CC[NH+](C)C3)C2)co1 ZINC001484172070 1191258197 /nfs/dbraw/zinc/25/81/97/1191258197.db2.gz CPFNSQMCYKZHOG-VQIMIIECSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@](C)(CNC(=O)C[C@H]3CC[NH+](C)C3)C2)co1 ZINC001484172070 1191258199 /nfs/dbraw/zinc/25/81/99/1191258199.db2.gz CPFNSQMCYKZHOG-VQIMIIECSA-N 2 2 348.491 2.043 10 0 EEAELP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1cscn1 ZINC001484385632 1191326131 /nfs/dbraw/zinc/32/61/31/1191326131.db2.gz MOJOXWFUPXPVBY-LSDHHAIUSA-N 2 2 347.488 2.004 10 0 EEAELP CCOCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001484826722 1191535992 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10 0 EEAELP CCc1nocc1C[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001485106180 1191656393 /nfs/dbraw/zinc/65/63/93/1191656393.db2.gz VQNVHVBCZUYGAT-VQCLRJIVSA-N 2 2 345.447 2.069 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001485229598 1191698864 /nfs/dbraw/zinc/69/88/64/1191698864.db2.gz ZDADDTZJVBQOCL-CHWSQXEVSA-N 2 2 341.415 2.016 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1nccs1 ZINC001486183047 1193721359 /nfs/dbraw/zinc/72/13/59/1193721359.db2.gz COYFSMRVQMXEPE-GJZGRUSLSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@H+]1Cc1nccs1 ZINC001486183047 1193721363 /nfs/dbraw/zinc/72/13/63/1193721363.db2.gz COYFSMRVQMXEPE-GJZGRUSLSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCC(F)(F)F)NC(=O)CCn1cc[nH+]c1 ZINC001486406908 1193914955 /nfs/dbraw/zinc/91/49/55/1193914955.db2.gz DVDUFIKBMGDTCS-LBPRGKRZSA-N 2 2 334.386 2.346 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1=CC[N@H+](CCc2ccccc2)CC1 ZINC001486513645 1194032658 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Cc1ncccc1/C=C/C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870665400 1200799921 /nfs/dbraw/zinc/79/99/21/1200799921.db2.gz SPVICKFJJWWLAP-AATRIKPKSA-N 2 2 337.427 2.189 10 0 EEAELP C[NH+](C)CCN1CCC(C[NH2+][C@H]2c3ccccc3OC[C@H]2F)CC1 ZINC000866259474 1201478163 /nfs/dbraw/zinc/47/81/63/1201478163.db2.gz MXCJBLQWFOBZSW-MJGOQNOKSA-N 2 2 335.467 2.321 10 0 EEAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000866704371 1201584403 /nfs/dbraw/zinc/58/44/03/1201584403.db2.gz OASDCZRISOFBPE-QGZVFWFLSA-N 2 2 347.488 2.327 10 0 EEAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2cccc3nsnc32)C1 ZINC000866704371 1201584407 /nfs/dbraw/zinc/58/44/07/1201584407.db2.gz OASDCZRISOFBPE-QGZVFWFLSA-N 2 2 347.488 2.327 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000868757801 1201872852 /nfs/dbraw/zinc/87/28/52/1201872852.db2.gz DPQWDNUGEWXPMN-RDJZCZTQSA-N 2 2 330.476 2.345 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000868757801 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YRCANZSIHKNXTK-OSJSJHBBSA-N 2 2 347.507 2.488 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001274894854 1205203517 /nfs/dbraw/zinc/20/35/17/1205203517.db2.gz QZBKVEOLSQKTDI-VQIMIIECSA-N 2 2 349.519 2.225 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001274894854 1205203518 /nfs/dbraw/zinc/20/35/18/1205203518.db2.gz QZBKVEOLSQKTDI-VQIMIIECSA-N 2 2 349.519 2.225 10 0 EEAELP C[C@@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275190721 1205278193 /nfs/dbraw/zinc/27/81/93/1205278193.db2.gz XYYJZWAGBMHGBC-QJPTWQEYSA-N 2 2 332.370 2.340 10 0 EEAELP C[C@@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275190721 1205278194 /nfs/dbraw/zinc/27/81/94/1205278194.db2.gz XYYJZWAGBMHGBC-QJPTWQEYSA-N 2 2 332.370 2.340 10 0 EEAELP CC(C)OCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275449694 1205365984 /nfs/dbraw/zinc/36/59/84/1205365984.db2.gz AZFZLHYCIJTHAI-CABCVRRESA-N 2 2 332.448 2.246 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl ZINC001275685805 1205484380 /nfs/dbraw/zinc/48/43/80/1205484380.db2.gz WOQJFTMTTXHPEP-FNORWQNLSA-N 2 2 339.867 2.459 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001275818226 1205549034 /nfs/dbraw/zinc/54/90/34/1205549034.db2.gz VDWWQEOBDYQIRS-WBVHZDCISA-N 2 2 346.500 2.452 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001276042335 1205745097 /nfs/dbraw/zinc/74/50/97/1205745097.db2.gz YYICIGKKJBGYGD-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001276042335 1205745099 /nfs/dbraw/zinc/74/50/99/1205745099.db2.gz YYICIGKKJBGYGD-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP [NH3+][C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[C@@H]1C(F)(F)F ZINC000926105336 1206192808 /nfs/dbraw/zinc/19/28/08/1206192808.db2.gz CCYZSPANTRXILA-QWRGUYRKSA-N 2 2 327.310 2.078 10 0 EEAELP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)C1 ZINC000929982334 1206524848 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1331057517 /nfs/dbraw/zinc/05/75/17/1331057517.db2.gz UZVMBTMSEGWXKH-OAHLLOKOSA-N 2 2 340.418 2.289 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001492179027 1331057523 /nfs/dbraw/zinc/05/75/23/1331057523.db2.gz UZVMBTMSEGWXKH-OAHLLOKOSA-N 2 2 340.418 2.289 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1Cl ZINC001492132638 1331064322 /nfs/dbraw/zinc/06/43/22/1331064322.db2.gz FBNAPRJOVMLFKU-GFCCVEGCSA-N 2 2 338.814 2.360 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]Cc1ccns1 ZINC001316682859 1331318172 /nfs/dbraw/zinc/31/81/72/1331318172.db2.gz PGIKITIHZMOXHV-DZGCQCFKSA-N 2 2 347.488 2.216 10 0 EEAELP C[C@H](CC(=O)NCCC[N@H+](C)C[C@H]1CC(C)(C)CO1)n1cc[nH+]c1 ZINC001316852477 1331935514 /nfs/dbraw/zinc/93/55/14/1331935514.db2.gz VCGYPOKIWZQOEI-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H](CC(=O)NCCC[N@@H+](C)C[C@H]1CC(C)(C)CO1)n1cc[nH+]c1 ZINC001316852477 1331935521 /nfs/dbraw/zinc/93/55/21/1331935521.db2.gz VCGYPOKIWZQOEI-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316946052 1332008828 /nfs/dbraw/zinc/00/88/28/1332008828.db2.gz WXBWHZHBNPJTBY-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP CCOCCC[N@H+]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316946052 1332008829 /nfs/dbraw/zinc/00/88/29/1332008829.db2.gz WXBWHZHBNPJTBY-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001318437909 1332533801 /nfs/dbraw/zinc/53/38/01/1332533801.db2.gz VBIMKOJTGRVDAC-SJORKVTESA-N 2 2 336.480 2.040 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH2+]CC=C(C)C ZINC001318561802 1332561276 /nfs/dbraw/zinc/56/12/76/1332561276.db2.gz KQFYKASGYFLKRT-FUHWJXTLSA-N 2 2 337.508 2.080 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH2+]CC=C(C)C ZINC001318561802 1332561279 /nfs/dbraw/zinc/56/12/79/1332561279.db2.gz KQFYKASGYFLKRT-FUHWJXTLSA-N 2 2 337.508 2.080 10 0 EEAELP CC(C)CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001318702771 1332580424 /nfs/dbraw/zinc/58/04/24/1332580424.db2.gz OTCHNTBKAZRNIS-HNAYVOBHSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)OCC[NH2+]C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@H]1C ZINC001318762774 1332591470 /nfs/dbraw/zinc/59/14/70/1332591470.db2.gz ZMRFIEDMLRLCMY-CRAIPNDOSA-N 2 2 336.480 2.032 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001319552620 1332720345 /nfs/dbraw/zinc/72/03/45/1332720345.db2.gz RNSBRCLORDZEMD-INIZCTEOSA-N 2 2 344.459 2.085 10 0 EEAELP Cc1ccncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001319782533 1332767006 /nfs/dbraw/zinc/76/70/06/1332767006.db2.gz ZZVMOQXPICFXTE-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001320110599 1332829088 /nfs/dbraw/zinc/82/90/88/1332829088.db2.gz HYSJJWZUMPKJNL-WMZOPIPTSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@@H]21 ZINC001320110599 1332829089 /nfs/dbraw/zinc/82/90/89/1332829089.db2.gz HYSJJWZUMPKJNL-WMZOPIPTSA-N 2 2 332.492 2.466 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001320133423 1332834794 /nfs/dbraw/zinc/83/47/94/1332834794.db2.gz PFSNLDOKHIBOSI-HKUYNNGSSA-N 2 2 340.471 2.460 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001320133423 1332834796 /nfs/dbraw/zinc/83/47/96/1332834796.db2.gz PFSNLDOKHIBOSI-HKUYNNGSSA-N 2 2 340.471 2.460 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001320467454 1332890987 /nfs/dbraw/zinc/89/09/87/1332890987.db2.gz AOSVLRAUBCTCCY-FUHWJXTLSA-N 2 2 340.471 2.173 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001320778357 1332950658 /nfs/dbraw/zinc/95/06/58/1332950658.db2.gz TVUYOMHSANKOMV-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC[C@H]1CCCCO1)c1cccc2[nH+]ccn21 ZINC001321155673 1333032831 /nfs/dbraw/zinc/03/28/31/1333032831.db2.gz OXANPYMTQLDTSY-WOMSROEHSA-N 2 2 342.443 2.169 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)c2ccc(C[NH+](C)C)cc2)co1 ZINC001321293657 1333066082 /nfs/dbraw/zinc/06/60/82/1333066082.db2.gz JHYFDLWLGMOADD-SNAWJCMRSA-N 2 2 342.443 2.120 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]Cc3nc(C)oc3C)ccn12 ZINC001321514088 1333116109 /nfs/dbraw/zinc/11/61/09/1333116109.db2.gz LCFILFFZEGEGBD-LLVKDONJSA-N 2 2 341.415 2.156 10 0 EEAELP Cc1nn(C)cc1C[NH2+]CCCN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001322622619 1333295509 /nfs/dbraw/zinc/29/55/09/1333295509.db2.gz HWHRNZFXPZTZND-UHFFFAOYSA-N 2 2 343.475 2.301 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001326307013 1334064997 /nfs/dbraw/zinc/06/49/97/1334064997.db2.gz YIUZOCWXUYEUBY-LOTPUWNPSA-N 2 2 336.867 2.026 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1F ZINC001326398101 1334083533 /nfs/dbraw/zinc/08/35/33/1334083533.db2.gz LXTIBQCRACWOAG-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP O=C(NCC1([NH2+]Cc2cncs2)CCC1)c1cccc2[nH+]ccn21 ZINC001326854946 1334170859 /nfs/dbraw/zinc/17/08/59/1334170859.db2.gz GBZMPLIVHSRSDG-UHFFFAOYSA-N 2 2 341.440 2.233 10 0 EEAELP C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1C[NH+](CCCCCF)C1 ZINC001330023295 1334763043 /nfs/dbraw/zinc/76/30/43/1334763043.db2.gz ZCNKBXSELUYKCU-CABCVRRESA-N 2 2 336.455 2.022 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001330633848 1334880217 /nfs/dbraw/zinc/88/02/17/1334880217.db2.gz WZACEGALPSAZFF-IYARVYRRSA-N 2 2 340.471 2.080 10 0 EEAELP CN(C[C@@H](O)C[NH2+]CCCC(C)(C)C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001332530326 1335843162 /nfs/dbraw/zinc/84/31/62/1335843162.db2.gz TXPFDMIFLLSLPD-HNNXBMFYSA-N 2 2 346.475 2.412 10 0 EEAELP C/C(=C/c1cccnc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485119 1338096533 /nfs/dbraw/zinc/09/65/33/1338096533.db2.gz JZBJYDKUPZTKQJ-XCTGESOMSA-N 2 2 342.487 2.112 10 0 EEAELP C/C(=C/c1cccnc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485119 1338096535 /nfs/dbraw/zinc/09/65/35/1338096535.db2.gz JZBJYDKUPZTKQJ-XCTGESOMSA-N 2 2 342.487 2.112 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)[C@H](C)C[NH2+]CC[C@H](C)F)[nH+]c12 ZINC001667012967 1355632744 /nfs/dbraw/zinc/63/27/44/1355632744.db2.gz HEPDYYDSQWBAAO-LSDHHAIUSA-N 2 2 334.439 2.370 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CCCc1ccsc1)C(=O)Cn1cc[nH+]c1 ZINC001436330480 1342033990 /nfs/dbraw/zinc/03/39/90/1342033990.db2.gz GHEGSAQTDDDGMJ-INIZCTEOSA-N 2 2 332.473 2.110 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CCCc1ccsc1)C(=O)Cn1cc[nH+]c1 ZINC001436330480 1342033992 /nfs/dbraw/zinc/03/39/92/1342033992.db2.gz GHEGSAQTDDDGMJ-INIZCTEOSA-N 2 2 332.473 2.110 10 0 EEAELP Cc1cccc(C)c1C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001436336908 1342040215 /nfs/dbraw/zinc/04/02/15/1342040215.db2.gz YAFRZBALYSZRAT-QGZVFWFLSA-N 2 2 326.444 2.233 10 0 EEAELP Cc1cccc(C)c1C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001436336908 1342040218 /nfs/dbraw/zinc/04/02/18/1342040218.db2.gz YAFRZBALYSZRAT-QGZVFWFLSA-N 2 2 326.444 2.233 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1nc(C)oc1C ZINC001501404344 1342188716 /nfs/dbraw/zinc/18/87/16/1342188716.db2.gz QOTDGUPQCMEJQR-QZTJIDSGSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1nc(C)oc1C ZINC001501404344 1342188720 /nfs/dbraw/zinc/18/87/20/1342188720.db2.gz QOTDGUPQCMEJQR-QZTJIDSGSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1nc(C)oc1C ZINC001501404344 1342188723 /nfs/dbraw/zinc/18/87/23/1342188723.db2.gz QOTDGUPQCMEJQR-QZTJIDSGSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1nc(C)oc1C ZINC001501404344 1342188725 /nfs/dbraw/zinc/18/87/25/1342188725.db2.gz QOTDGUPQCMEJQR-QZTJIDSGSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001676001341 1357085699 /nfs/dbraw/zinc/08/56/99/1357085699.db2.gz IHIKCRIBWVMLIW-HNNXBMFYSA-N 2 2 346.450 2.485 10 0 EEAELP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567833394 1342848233 /nfs/dbraw/zinc/84/82/33/1342848233.db2.gz OJVKVTRJEGLRDC-LAQIPUCWSA-N 2 2 330.476 2.240 10 0 EEAELP O=C(NC1CC(C[NH2+]CCOCC2CC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001570564824 1343086389 /nfs/dbraw/zinc/08/63/89/1343086389.db2.gz KYEWMGQZYOODQQ-UHFFFAOYSA-N 2 2 342.443 2.088 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001571351890 1343194380 /nfs/dbraw/zinc/19/43/80/1343194380.db2.gz OATPJPZRCTUECJ-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP CC[C@H](C[N@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1)OC ZINC001571696129 1343277944 /nfs/dbraw/zinc/27/79/44/1343277944.db2.gz LHWMVBCAGLFSBI-NVXWUHKLSA-N 2 2 334.464 2.008 10 0 EEAELP CC[C@H](C[N@@H+]1CC=C(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1)OC ZINC001571696129 1343277949 /nfs/dbraw/zinc/27/79/49/1343277949.db2.gz LHWMVBCAGLFSBI-NVXWUHKLSA-N 2 2 334.464 2.008 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)[C@@H](C[NH2+]CC=C(C)C)C1CC1 ZINC001676227731 1357123524 /nfs/dbraw/zinc/12/35/24/1357123524.db2.gz FIFUCIVLUPHKRW-KRWDZBQOSA-N 2 2 331.460 2.426 10 0 EEAELP CCC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001677253314 1357302412 /nfs/dbraw/zinc/30/24/12/1357302412.db2.gz QTANOIZJAJDQMR-HOTGVXAUSA-N 2 2 335.496 2.321 10 0 EEAELP CCC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001677253314 1357302416 /nfs/dbraw/zinc/30/24/16/1357302416.db2.gz QTANOIZJAJDQMR-HOTGVXAUSA-N 2 2 335.496 2.321 10 0 EEAELP CNc1cc(CNC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc[nH+]1 ZINC001646931378 1353054748 /nfs/dbraw/zinc/05/47/48/1353054748.db2.gz NXCHAICPPNQNGL-QGZVFWFLSA-N 2 2 341.459 2.095 10 0 EEAELP C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001649289848 1353460699 /nfs/dbraw/zinc/46/06/99/1353460699.db2.gz YNENHLJKCQUFBZ-HUUCEWRRSA-N 2 2 333.480 2.231 10 0 EEAELP C[N@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001649289848 1353460700 /nfs/dbraw/zinc/46/07/00/1353460700.db2.gz YNENHLJKCQUFBZ-HUUCEWRRSA-N 2 2 333.480 2.231 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001649475792 1353526651 /nfs/dbraw/zinc/52/66/51/1353526651.db2.gz UJPDIEHCRMNYBT-LBPRGKRZSA-N 2 2 335.477 2.031 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](C[Si](C)(C)c3ccccc3)CC2)c1 ZINC001653330405 1354120800 /nfs/dbraw/zinc/12/08/00/1354120800.db2.gz WPBVVEBMXHXYAN-UHFFFAOYSA-N 2 2 341.531 2.367 10 0 EEAELP Cc1cncc(C[N@H+](C)CCCNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001660225466 1354421169 /nfs/dbraw/zinc/42/11/69/1354421169.db2.gz WRUDTJMJUQRKQM-UHFFFAOYSA-N 2 2 337.427 2.290 10 0 EEAELP Cc1cncc(C[N@@H+](C)CCCNC(=O)c2cccc3[nH+]ccn32)c1 ZINC001660225466 1354421174 /nfs/dbraw/zinc/42/11/74/1354421174.db2.gz WRUDTJMJUQRKQM-UHFFFAOYSA-N 2 2 337.427 2.290 10 0 EEAELP C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1csc(C2CC2)n1 ZINC001660368669 1354450033 /nfs/dbraw/zinc/45/00/33/1354450033.db2.gz JGTBUDJODYAVGY-UHFFFAOYSA-N 2 2 348.516 2.054 10 0 EEAELP C[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)Cc1csc(C2CC2)n1 ZINC001660368669 1354450037 /nfs/dbraw/zinc/45/00/37/1354450037.db2.gz JGTBUDJODYAVGY-UHFFFAOYSA-N 2 2 348.516 2.054 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]CCCC2CCOCC2)CCCC1 ZINC001665968559 1355417189 /nfs/dbraw/zinc/41/71/89/1355417189.db2.gz JGZLHQALDUZKLJ-UHFFFAOYSA-N 2 2 348.491 2.109 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001666939279 1355618187 /nfs/dbraw/zinc/61/81/87/1355618187.db2.gz WTNBQLJWDJKYTI-WBVHZDCISA-N 2 2 330.476 2.382 10 0 EEAELP Cc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001667064071 1355643406 /nfs/dbraw/zinc/64/34/06/1355643406.db2.gz UDSKKMOPHHJTKB-QGZVFWFLSA-N 2 2 328.460 2.261 10 0 EEAELP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001667267413 1355693776 /nfs/dbraw/zinc/69/37/76/1355693776.db2.gz JPCGKRJPHKUFAV-DLBZAZTESA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001668117864 1355875857 /nfs/dbraw/zinc/87/58/57/1355875857.db2.gz MNNIHKMKYDJNEW-GOEBONIOSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001668117982 1355876038 /nfs/dbraw/zinc/87/60/38/1355876038.db2.gz OQCFHZZOBYMSJE-FUHWJXTLSA-N 2 2 340.471 2.439 10 0 EEAELP CCN(CC[NH2+]Cc1c(C)nsc1C)C(=O)CCc1c[nH]c[nH+]1 ZINC001668450196 1355943777 /nfs/dbraw/zinc/94/37/77/1355943777.db2.gz WFTZNHOKPPHJSI-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC001669167536 1356114369 /nfs/dbraw/zinc/11/43/69/1356114369.db2.gz OJEFRVIFYMTNQY-WLMCBFPDSA-N 2 2 326.444 2.376 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001669381318 1356152333 /nfs/dbraw/zinc/15/23/33/1356152333.db2.gz OZDSUGVLIHXGRZ-AEFFLSMTSA-N 2 2 339.524 2.160 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001669381318 1356152334 /nfs/dbraw/zinc/15/23/34/1356152334.db2.gz OZDSUGVLIHXGRZ-AEFFLSMTSA-N 2 2 339.524 2.160 10 0 EEAELP Cc1cccc(CCC[NH2+]CC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001674592648 1356861414 /nfs/dbraw/zinc/86/14/14/1356861414.db2.gz QVPPJVVIAUOXRO-UHFFFAOYSA-N 2 2 340.471 2.378 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](Cc1ccns1)C(C)C ZINC001691760342 1358369423 /nfs/dbraw/zinc/36/94/23/1358369423.db2.gz SOMOFOATUXIQAX-UHFFFAOYSA-N 2 2 335.477 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](Cc1ccns1)C(C)C ZINC001691760342 1358369428 /nfs/dbraw/zinc/36/94/28/1358369428.db2.gz SOMOFOATUXIQAX-UHFFFAOYSA-N 2 2 335.477 2.134 10 0 EEAELP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699111361 1405267379 /nfs/dbraw/zinc/26/73/79/1405267379.db2.gz BMPCBLKEWZXPMZ-RDJZCZTQSA-N 2 2 330.476 2.430 10 0 EEAELP C[C@H](CC[NH2+]CC(F)(F)C(F)F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699125489 1405281616 /nfs/dbraw/zinc/28/16/16/1405281616.db2.gz FIALACGFLNXONK-LLVKDONJSA-N 2 2 341.393 2.246 10 0 EEAELP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001699517240 1405368836 /nfs/dbraw/zinc/36/88/36/1405368836.db2.gz MJWXZQYBDYGVGA-LBPRGKRZSA-N 2 2 345.274 2.203 10 0 EEAELP Cc1ccccc1C[NH2+]CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001699549324 1405383402 /nfs/dbraw/zinc/38/34/02/1405383402.db2.gz CKFYOQRMLIKRBP-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F)n1cc[nH+]c1 ZINC001699760452 1405469931 /nfs/dbraw/zinc/46/99/31/1405469931.db2.gz LDMYDNIHDXOZDV-OLZOCXBDSA-N 2 2 332.370 2.367 10 0 EEAELP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001699842505 1405522523 /nfs/dbraw/zinc/52/25/23/1405522523.db2.gz NHGPDJZJQTUULP-APWZRJJASA-N 2 2 330.476 2.240 10 0 EEAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925834520 778966441 /nfs/dbraw/zinc/96/64/41/778966441.db2.gz INEIDMAYHKIYPY-SMDDNHRTSA-N 2 2 326.366 2.487 10 0 EEAELP COCC[N@H+]1[C@H](C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1C ZINC000824026165 788015268 /nfs/dbraw/zinc/01/52/68/788015268.db2.gz PYQCCHGHCUXOME-BBWFWOEESA-N 2 2 336.480 2.038 10 0 EEAELP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1C ZINC000824026165 788015274 /nfs/dbraw/zinc/01/52/74/788015274.db2.gz PYQCCHGHCUXOME-BBWFWOEESA-N 2 2 336.480 2.038 10 0 EEAELP CC(C)[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000912767261 788352882 /nfs/dbraw/zinc/35/28/82/788352882.db2.gz KPDBJJUXGGHMBN-SFHVURJKSA-N 2 2 341.459 2.065 10 0 EEAELP C[N@@H+](Cc1cscc1Br)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923425811 789528093 /nfs/dbraw/zinc/52/80/93/789528093.db2.gz ITAWIIBSEAUUNT-LLVKDONJSA-N 2 2 331.279 2.321 10 0 EEAELP C[N@H+](Cc1cscc1Br)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923425811 789528096 /nfs/dbraw/zinc/52/80/96/789528096.db2.gz ITAWIIBSEAUUNT-LLVKDONJSA-N 2 2 331.279 2.321 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000846225817 790093791 /nfs/dbraw/zinc/09/37/91/790093791.db2.gz VCPTUDTUBYVVTN-LSBZLQRGSA-N 2 2 341.455 2.462 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000846225817 790093796 /nfs/dbraw/zinc/09/37/96/790093796.db2.gz VCPTUDTUBYVVTN-LSBZLQRGSA-N 2 2 341.455 2.462 10 0 EEAELP C[N@H+](CC(=O)NCCn1c[nH+]cc1-c1ccccc1)[C@H]1CCSC1 ZINC000913711195 794164195 /nfs/dbraw/zinc/16/41/95/794164195.db2.gz KWNBOXGJBMIKLN-INIZCTEOSA-N 2 2 344.484 2.104 10 0 EEAELP C[N@@H+](CC(=O)NCCn1c[nH+]cc1-c1ccccc1)[C@H]1CCSC1 ZINC000913711195 794164199 /nfs/dbraw/zinc/16/41/99/794164199.db2.gz KWNBOXGJBMIKLN-INIZCTEOSA-N 2 2 344.484 2.104 10 0 EEAELP CS(=O)(=O)C1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716700851 796444138 /nfs/dbraw/zinc/44/41/38/796444138.db2.gz QFCYNMXNXVIZKV-BZSNNMDCSA-N 2 2 348.512 2.206 10 0 EEAELP CS(=O)(=O)C1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CC1 ZINC000716700851 796444142 /nfs/dbraw/zinc/44/41/42/796444142.db2.gz QFCYNMXNXVIZKV-BZSNNMDCSA-N 2 2 348.512 2.206 10 0 EEAELP CN(CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1cccc[nH+]1 ZINC001175707530 798217721 /nfs/dbraw/zinc/21/77/21/798217721.db2.gz KAZCAVYMCDVTCU-KRWDZBQOSA-N 2 2 330.476 2.431 10 0 EEAELP CN(CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1cccc[nH+]1 ZINC001175707530 798217725 /nfs/dbraw/zinc/21/77/25/798217725.db2.gz KAZCAVYMCDVTCU-KRWDZBQOSA-N 2 2 330.476 2.431 10 0 EEAELP CC(C)C[C@H](C(=O)N1CCC([NH2+]C2CCOCC2)CC1)n1cc[nH+]c1 ZINC000922889138 802524781 /nfs/dbraw/zinc/52/47/81/802524781.db2.gz QPWBUHJUJPYFDE-GOSISDBHSA-N 2 2 348.491 2.230 10 0 EEAELP c1cc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)o2)n[nH]1 ZINC000788520382 807562636 /nfs/dbraw/zinc/56/26/36/807562636.db2.gz VEEISLIUBFVBAZ-INIZCTEOSA-N 2 2 330.432 2.403 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1nccs1 ZINC001566498842 1125666633 /nfs/dbraw/zinc/66/66/33/1125666633.db2.gz QPGPAEBLDASFTP-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1nccs1 ZINC001566498842 1125666637 /nfs/dbraw/zinc/66/66/37/1125666637.db2.gz QPGPAEBLDASFTP-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)Cc1nccs1 ZINC001566498842 1125666639 /nfs/dbraw/zinc/66/66/39/1125666639.db2.gz QPGPAEBLDASFTP-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)Cc1nccs1 ZINC001566498842 1125666642 /nfs/dbraw/zinc/66/66/42/1125666642.db2.gz QPGPAEBLDASFTP-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](C[C@@H](F)CC)CC1 ZINC001436760187 1088274315 /nfs/dbraw/zinc/27/43/15/1088274315.db2.gz REPIBFPFYSPESQ-HNNXBMFYSA-N 2 2 338.471 2.414 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001436894564 1088546598 /nfs/dbraw/zinc/54/65/98/1088546598.db2.gz NIHFYOMWRHKONM-BPLDGKMQSA-N 2 2 345.447 2.130 10 0 EEAELP CCc1ccccc1CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001436953975 1088641034 /nfs/dbraw/zinc/64/10/34/1088641034.db2.gz PKADKBRDELQTJH-KDURUIRLSA-N 2 2 340.471 2.384 10 0 EEAELP CCc1ccccc1CC[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001436953975 1088641040 /nfs/dbraw/zinc/64/10/40/1088641040.db2.gz PKADKBRDELQTJH-KDURUIRLSA-N 2 2 340.471 2.384 10 0 EEAELP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001436970012 1088663281 /nfs/dbraw/zinc/66/32/81/1088663281.db2.gz IGXANMRGMOUQIY-CWRNSKLLSA-N 2 2 328.460 2.468 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)oc1C ZINC001437216587 1089298137 /nfs/dbraw/zinc/29/81/37/1089298137.db2.gz RREMAGZAAHNOOJ-HIFRSBDPSA-N 2 2 336.480 2.150 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](CCCc2ccsc2)C1 ZINC001437737058 1090296998 /nfs/dbraw/zinc/29/69/98/1090296998.db2.gz GGFFZLWJPIDIAZ-MRXNPFEDSA-N 2 2 332.473 2.016 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](CCCc2ccsc2)C1 ZINC001437737058 1090297005 /nfs/dbraw/zinc/29/70/05/1090297005.db2.gz GGFFZLWJPIDIAZ-MRXNPFEDSA-N 2 2 332.473 2.016 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH+]ccc1OC)[NH2+]CCC(F)(F)F ZINC001438315434 1090793399 /nfs/dbraw/zinc/79/33/99/1090793399.db2.gz AABCDAKDMPOGNJ-GFCCVEGCSA-N 2 2 333.354 2.070 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC1(C[NH2+]Cc2csc(C)n2)CCCC1 ZINC001438388991 1090875684 /nfs/dbraw/zinc/87/56/84/1090875684.db2.gz LKFXPCLHXIYLLY-UHFFFAOYSA-N 2 2 347.488 2.175 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)on1 ZINC001438641541 1091123006 /nfs/dbraw/zinc/12/30/06/1091123006.db2.gz KNMRUATUSOHNFD-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001445572220 1091349806 /nfs/dbraw/zinc/34/98/06/1091349806.db2.gz CBKTWYFSQYHIGW-AWEZNQCLSA-N 2 2 345.418 2.375 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001439126306 1091770116 /nfs/dbraw/zinc/77/01/16/1091770116.db2.gz GMONOXMQUQWQRF-OLZOCXBDSA-N 2 2 348.397 2.018 10 0 EEAELP CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001439129390 1091774483 /nfs/dbraw/zinc/77/44/83/1091774483.db2.gz MXBAWLSGMOQVEY-CRAIPNDOSA-N 2 2 340.471 2.302 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)oc1C ZINC001439158635 1091802901 /nfs/dbraw/zinc/80/29/01/1091802901.db2.gz LJWGWHQGICWTMD-HIFRSBDPSA-N 2 2 336.480 2.150 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001439160176 1091803311 /nfs/dbraw/zinc/80/33/11/1091803311.db2.gz PLEDWGJORPAGFW-UONOGXRCSA-N 2 2 332.423 2.330 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001439410262 1092176555 /nfs/dbraw/zinc/17/65/55/1092176555.db2.gz RQDFCJPKPJTSKT-MRXNPFEDSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C2CCCC2)n1 ZINC001439410262 1092176557 /nfs/dbraw/zinc/17/65/57/1092176557.db2.gz RQDFCJPKPJTSKT-MRXNPFEDSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccn(C2CCCC2)n1 ZINC001439410262 1092176559 /nfs/dbraw/zinc/17/65/59/1092176559.db2.gz RQDFCJPKPJTSKT-MRXNPFEDSA-N 2 2 349.523 2.275 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1ccn(C2CCCC2)n1 ZINC001439410262 1092176561 /nfs/dbraw/zinc/17/65/61/1092176561.db2.gz RQDFCJPKPJTSKT-MRXNPFEDSA-N 2 2 349.523 2.275 10 0 EEAELP C[C@@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001439881915 1092931597 /nfs/dbraw/zinc/93/15/97/1092931597.db2.gz CMJHNPAXYYVUSL-PXNSSMCTSA-N 2 2 344.503 2.464 10 0 EEAELP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]Cc2cncs2)C1)c1c[nH+]c[nH]1 ZINC001439906142 1092972257 /nfs/dbraw/zinc/97/22/57/1092972257.db2.gz SQHAKIKWABWXHI-QGZVFWFLSA-N 2 2 347.488 2.172 10 0 EEAELP C[C@@]1(C[NH2+]Cc2ccccc2F)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001439909890 1092977792 /nfs/dbraw/zinc/97/77/92/1092977792.db2.gz NZBRQCVVDKWJOV-SFHVURJKSA-N 2 2 330.407 2.051 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2)C1 ZINC001448518461 1093546904 /nfs/dbraw/zinc/54/69/04/1093546904.db2.gz CRPYPEFSLPFMLT-QAQDUYKDSA-N 2 2 326.444 2.037 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCc3[nH+]ccn3C)C2)cs1 ZINC001448520620 1093550317 /nfs/dbraw/zinc/55/03/17/1093550317.db2.gz INRSCGGKJSRVDY-KOMQPUFPSA-N 2 2 346.500 2.407 10 0 EEAELP CCO[C@H](C[N@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001448535627 1093572258 /nfs/dbraw/zinc/57/22/58/1093572258.db2.gz JYETXGCMOMJSLM-GOSISDBHSA-N 2 2 348.491 2.080 10 0 EEAELP CCO[C@H](C[N@@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001448535627 1093572264 /nfs/dbraw/zinc/57/22/64/1093572264.db2.gz JYETXGCMOMJSLM-GOSISDBHSA-N 2 2 348.491 2.080 10 0 EEAELP CCO[C@H](C[N@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001448535627 1093572269 /nfs/dbraw/zinc/57/22/69/1093572269.db2.gz JYETXGCMOMJSLM-GOSISDBHSA-N 2 2 348.491 2.080 10 0 EEAELP CCO[C@H](C[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001448535627 1093572276 /nfs/dbraw/zinc/57/22/76/1093572276.db2.gz JYETXGCMOMJSLM-GOSISDBHSA-N 2 2 348.491 2.080 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1Cc1nc(C)c(C)o1 ZINC001440450574 1093665004 /nfs/dbraw/zinc/66/50/04/1093665004.db2.gz IYBGDILTRZQLDU-JKSUJKDBSA-N 2 2 336.480 2.101 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@H+]1Cc1nc(C)c(C)o1 ZINC001440450574 1093665005 /nfs/dbraw/zinc/66/50/05/1093665005.db2.gz IYBGDILTRZQLDU-JKSUJKDBSA-N 2 2 336.480 2.101 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[NH+]1Cc1nc(C)c(C)o1 ZINC001440450574 1093665006 /nfs/dbraw/zinc/66/50/06/1093665006.db2.gz IYBGDILTRZQLDU-JKSUJKDBSA-N 2 2 336.480 2.101 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[NH+]1Cc1nc(C)c(C)o1 ZINC001440450574 1093665008 /nfs/dbraw/zinc/66/50/08/1093665008.db2.gz IYBGDILTRZQLDU-JKSUJKDBSA-N 2 2 336.480 2.101 10 0 EEAELP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001440601115 1093866626 /nfs/dbraw/zinc/86/66/26/1093866626.db2.gz FYKFQSPEWOCWSJ-MRXNPFEDSA-N 2 2 332.492 2.462 10 0 EEAELP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001440751216 1093996440 /nfs/dbraw/zinc/99/64/40/1093996440.db2.gz ICWARKMVZTUUGH-AQFXKWCLSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)c(C)o1 ZINC001449024171 1094030257 /nfs/dbraw/zinc/03/02/57/1094030257.db2.gz RIZHNSKFGIKTHD-CXAGYDPISA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)c(C)o1 ZINC001449024171 1094030261 /nfs/dbraw/zinc/03/02/61/1094030261.db2.gz RIZHNSKFGIKTHD-CXAGYDPISA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@H]2C)c(C)o1 ZINC001449024171 1094030264 /nfs/dbraw/zinc/03/02/64/1094030264.db2.gz RIZHNSKFGIKTHD-CXAGYDPISA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H]2C)c(C)o1 ZINC001449024171 1094030269 /nfs/dbraw/zinc/03/02/69/1094030269.db2.gz RIZHNSKFGIKTHD-CXAGYDPISA-N 2 2 348.491 2.245 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2[nH+]ccn2C)cc1F ZINC001440819390 1094073091 /nfs/dbraw/zinc/07/30/91/1094073091.db2.gz WMULCRXHVKVICA-HUUCEWRRSA-N 2 2 346.450 2.483 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC001441141633 1094475999 /nfs/dbraw/zinc/47/59/99/1094475999.db2.gz VMGOEEADICUMBZ-ZWKOTPCHSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CC[C@H]1CCCCO1 ZINC001441141633 1094476001 /nfs/dbraw/zinc/47/60/01/1094476001.db2.gz VMGOEEADICUMBZ-ZWKOTPCHSA-N 2 2 348.491 2.203 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C2CC2)c[nH+]1 ZINC001441206888 1094569269 /nfs/dbraw/zinc/56/92/69/1094569269.db2.gz LPXMWXBBBGDINL-CYBMUJFWSA-N 2 2 346.397 2.363 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001441221303 1094586149 /nfs/dbraw/zinc/58/61/49/1094586149.db2.gz DDGDRYGMPLMTSG-CABCVRRESA-N 2 2 342.443 2.089 10 0 EEAELP Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)cc1F ZINC001441327610 1094787264 /nfs/dbraw/zinc/78/72/64/1094787264.db2.gz NCJHGUIMVFAQOY-CALCHBBNSA-N 2 2 333.451 2.261 10 0 EEAELP Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)cc1F ZINC001441327610 1094787270 /nfs/dbraw/zinc/78/72/70/1094787270.db2.gz NCJHGUIMVFAQOY-CALCHBBNSA-N 2 2 333.451 2.261 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001441606184 1095461285 /nfs/dbraw/zinc/46/12/85/1095461285.db2.gz NOJHBOIPKXYKPV-AWEZNQCLSA-N 2 2 329.448 2.107 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@@H]1[N@H+](Cc1ccccn1)CC2 ZINC001441862205 1095962329 /nfs/dbraw/zinc/96/23/29/1095962329.db2.gz ISIYQKJMOXLDSJ-HKUYNNGSSA-N 2 2 339.443 2.051 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@@H]1[N@@H+](Cc1ccccn1)CC2 ZINC001441862205 1095962331 /nfs/dbraw/zinc/96/23/31/1095962331.db2.gz ISIYQKJMOXLDSJ-HKUYNNGSSA-N 2 2 339.443 2.051 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]CCF)c2ccccc2)c[nH+]1 ZINC001443131006 1097555685 /nfs/dbraw/zinc/55/56/85/1097555685.db2.gz AMICXBYOOSVGAM-MRXNPFEDSA-N 2 2 332.423 2.343 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001443187302 1097630338 /nfs/dbraw/zinc/63/03/38/1097630338.db2.gz FSQSNFALHLHGML-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001443187302 1097630340 /nfs/dbraw/zinc/63/03/40/1097630340.db2.gz FSQSNFALHLHGML-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP O=C(NCC[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001443241874 1097711534 /nfs/dbraw/zinc/71/15/34/1097711534.db2.gz VSKVGWVFOSTKAA-ZWKOTPCHSA-N 2 2 344.503 2.464 10 0 EEAELP O=C(NCC[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001443241874 1097711539 /nfs/dbraw/zinc/71/15/39/1097711539.db2.gz VSKVGWVFOSTKAA-ZWKOTPCHSA-N 2 2 344.503 2.464 10 0 EEAELP CC[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCC(F)(F)F ZINC001443934936 1098454163 /nfs/dbraw/zinc/45/41/63/1098454163.db2.gz LDWJFCGSDUYZPY-GFCCVEGCSA-N 2 2 346.397 2.199 10 0 EEAELP COC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001479736645 1098847125 /nfs/dbraw/zinc/84/71/25/1098847125.db2.gz MWEJVQCJRJRWAB-CVEARBPZSA-N 2 2 344.459 2.296 10 0 EEAELP COC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001479736645 1098847129 /nfs/dbraw/zinc/84/71/29/1098847129.db2.gz MWEJVQCJRJRWAB-CVEARBPZSA-N 2 2 344.459 2.296 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)Cc1ccn(CC)n1 ZINC001479738392 1098851065 /nfs/dbraw/zinc/85/10/65/1098851065.db2.gz BCUVDGGUIRNATF-SFHVURJKSA-N 2 2 349.523 2.058 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)Cc1ccn(CC)n1 ZINC001479738392 1098851070 /nfs/dbraw/zinc/85/10/70/1098851070.db2.gz BCUVDGGUIRNATF-SFHVURJKSA-N 2 2 349.523 2.058 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccn(CC)n1 ZINC001479738392 1098851073 /nfs/dbraw/zinc/85/10/73/1098851073.db2.gz BCUVDGGUIRNATF-SFHVURJKSA-N 2 2 349.523 2.058 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccn(CC)n1 ZINC001479738392 1098851087 /nfs/dbraw/zinc/85/10/87/1098851087.db2.gz BCUVDGGUIRNATF-SFHVURJKSA-N 2 2 349.523 2.058 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2c(F)cccc2F)C1 ZINC001479796397 1099013452 /nfs/dbraw/zinc/01/34/52/1099013452.db2.gz HFBKSFAOROHDPQ-CQSZACIVSA-N 2 2 339.430 2.245 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2c(F)cccc2F)C1 ZINC001479796397 1099013465 /nfs/dbraw/zinc/01/34/65/1099013465.db2.gz HFBKSFAOROHDPQ-CQSZACIVSA-N 2 2 339.430 2.245 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2c(F)cccc2F)C1 ZINC001479796397 1099013479 /nfs/dbraw/zinc/01/34/79/1099013479.db2.gz HFBKSFAOROHDPQ-CQSZACIVSA-N 2 2 339.430 2.245 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001479796397 1099013492 /nfs/dbraw/zinc/01/34/92/1099013492.db2.gz HFBKSFAOROHDPQ-CQSZACIVSA-N 2 2 339.430 2.245 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[N@H+](CCC2CCCC2)CCO1)n1cc[nH+]c1 ZINC001444454044 1099102935 /nfs/dbraw/zinc/10/29/35/1099102935.db2.gz SWFLRVLQNANDRL-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[N@@H+](CCC2CCCC2)CCO1)n1cc[nH+]c1 ZINC001444454044 1099102940 /nfs/dbraw/zinc/10/29/40/1099102940.db2.gz SWFLRVLQNANDRL-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC001479878499 1099241064 /nfs/dbraw/zinc/24/10/64/1099241064.db2.gz ANTIBMFYLRLZMI-UHFFFAOYSA-N 2 2 344.434 2.273 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC001479878499 1099241074 /nfs/dbraw/zinc/24/10/74/1099241074.db2.gz ANTIBMFYLRLZMI-UHFFFAOYSA-N 2 2 344.434 2.273 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479956575 1099395477 /nfs/dbraw/zinc/39/54/77/1099395477.db2.gz NDPLTONWXQMZAF-HNNXBMFYSA-N 2 2 330.432 2.040 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479956575 1099395490 /nfs/dbraw/zinc/39/54/90/1099395490.db2.gz NDPLTONWXQMZAF-HNNXBMFYSA-N 2 2 330.432 2.040 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2ncc(C)o2)CC1 ZINC001479994866 1099459664 /nfs/dbraw/zinc/45/96/64/1099459664.db2.gz CAWMEESDEWZCFM-UHFFFAOYSA-N 2 2 336.480 2.138 10 0 EEAELP COCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001480099020 1099663902 /nfs/dbraw/zinc/66/39/02/1099663902.db2.gz RKJOLPNXSKWYLX-CALCHBBNSA-N 2 2 348.491 2.028 10 0 EEAELP COCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001480099020 1099663916 /nfs/dbraw/zinc/66/39/16/1099663916.db2.gz RKJOLPNXSKWYLX-CALCHBBNSA-N 2 2 348.491 2.028 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480383641 1100179815 /nfs/dbraw/zinc/17/98/15/1100179815.db2.gz RWCYWSKTAILOGW-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480383641 1100179821 /nfs/dbraw/zinc/17/98/21/1100179821.db2.gz RWCYWSKTAILOGW-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001480405527 1100220785 /nfs/dbraw/zinc/22/07/85/1100220785.db2.gz YGTCLCUEGCHVOM-KLAILNCOSA-N 2 2 330.476 2.429 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001445117744 1100361286 /nfs/dbraw/zinc/36/12/86/1100361286.db2.gz LRQOYKPUQNQQFA-WBVHZDCISA-N 2 2 332.492 2.292 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001446398961 1100792784 /nfs/dbraw/zinc/79/27/84/1100792784.db2.gz NLNUGWNYIREPAU-HNNXBMFYSA-N 2 2 333.476 2.241 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001446398961 1100792789 /nfs/dbraw/zinc/79/27/89/1100792789.db2.gz NLNUGWNYIREPAU-HNNXBMFYSA-N 2 2 333.476 2.241 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](CC(C)C)NC(=O)Cn2cc[nH+]c2)c(C)s1 ZINC001496302388 1100890659 /nfs/dbraw/zinc/89/06/59/1100890659.db2.gz ZCMKGXHZAKIETR-OAHLLOKOSA-N 2 2 349.504 2.277 10 0 EEAELP Cc1cnc(C[NH+]2CCC(C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001446471304 1100894088 /nfs/dbraw/zinc/89/40/88/1100894088.db2.gz HOGAIZOOAXOEHR-INIZCTEOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[NH+]2CCC(C)(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001446471304 1100894097 /nfs/dbraw/zinc/89/40/97/1100894097.db2.gz HOGAIZOOAXOEHR-INIZCTEOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1oncc1C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001446597626 1101090797 /nfs/dbraw/zinc/09/07/97/1101090797.db2.gz VAJODMHDXSVYLE-RDTXWAMCSA-N 2 2 345.447 2.159 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001495428150 1101145057 /nfs/dbraw/zinc/14/50/57/1101145057.db2.gz FALMBUJANMMRDY-RAXLEYEMSA-N 2 2 345.274 2.490 10 0 EEAELP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001495458860 1101171519 /nfs/dbraw/zinc/17/15/19/1101171519.db2.gz XGFGEZBNOICIAG-QKPAOTATSA-N 2 2 336.455 2.211 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001495769489 1101565201 /nfs/dbraw/zinc/56/52/01/1101565201.db2.gz DLHQYBVHQRQHMQ-CYBMUJFWSA-N 2 2 334.851 2.190 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001497287066 1102256820 /nfs/dbraw/zinc/25/68/20/1102256820.db2.gz TYIYELDZFYVQEN-NEPJUHHUSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001497287066 1102256834 /nfs/dbraw/zinc/25/68/34/1102256834.db2.gz TYIYELDZFYVQEN-NEPJUHHUSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001497579526 1102693410 /nfs/dbraw/zinc/69/34/10/1102693410.db2.gz ODUGMWOEFLSHBS-WAYWQWQTSA-N 2 2 334.464 2.010 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1F ZINC001497603827 1102735818 /nfs/dbraw/zinc/73/58/18/1102735818.db2.gz ZUKHVUVZXYGKAG-INQOVCNISA-N 2 2 342.418 2.423 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497947976 1103394940 /nfs/dbraw/zinc/39/49/40/1103394940.db2.gz LFHXMLHKTFEKJB-GDBMZVCRSA-N 2 2 326.444 2.167 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001494075118 1103478516 /nfs/dbraw/zinc/47/85/16/1103478516.db2.gz VCTOBZYOILXQNT-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001494075118 1103478533 /nfs/dbraw/zinc/47/85/33/1103478533.db2.gz VCTOBZYOILXQNT-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1F ZINC001447923789 1103608204 /nfs/dbraw/zinc/60/82/04/1103608204.db2.gz RCGXYTQAEMYVLW-OLZOCXBDSA-N 2 2 332.423 2.125 10 0 EEAELP CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001494197125 1103683466 /nfs/dbraw/zinc/68/34/66/1103683466.db2.gz GARXIYFNOHHXPB-ARFHVFGLSA-N 2 2 336.455 2.432 10 0 EEAELP CC[C@H](F)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001494197125 1103683467 /nfs/dbraw/zinc/68/34/67/1103683467.db2.gz GARXIYFNOHHXPB-ARFHVFGLSA-N 2 2 336.455 2.432 10 0 EEAELP CC[C@H](F)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001494197125 1103683468 /nfs/dbraw/zinc/68/34/68/1103683468.db2.gz GARXIYFNOHHXPB-ARFHVFGLSA-N 2 2 336.455 2.432 10 0 EEAELP CC[C@H](F)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001494197125 1103683471 /nfs/dbraw/zinc/68/34/71/1103683471.db2.gz GARXIYFNOHHXPB-ARFHVFGLSA-N 2 2 336.455 2.432 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCCC1CCC1 ZINC001448043890 1103881164 /nfs/dbraw/zinc/88/11/64/1103881164.db2.gz ITHOVKFBSDGLCA-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCCC1CCC1 ZINC001448043890 1103881178 /nfs/dbraw/zinc/88/11/78/1103881178.db2.gz ITHOVKFBSDGLCA-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001448117966 1104045660 /nfs/dbraw/zinc/04/56/60/1104045660.db2.gz GRFKXKFBUAZXJR-HNAYVOBHSA-N 2 2 340.471 2.477 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001448117966 1104045677 /nfs/dbraw/zinc/04/56/77/1104045677.db2.gz GRFKXKFBUAZXJR-HNAYVOBHSA-N 2 2 340.471 2.477 10 0 EEAELP C[NH+](C)CCCCC(=O)NC1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001494483542 1104067628 /nfs/dbraw/zinc/06/76/28/1104067628.db2.gz RXNFEJJSMPTUDH-GOSISDBHSA-N 2 2 333.451 2.345 10 0 EEAELP COCc1ccc(C[NH+]2CC(NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001494507273 1104095405 /nfs/dbraw/zinc/09/54/05/1104095405.db2.gz KDWUQEMLTGBGDI-UHFFFAOYSA-N 2 2 345.487 2.009 10 0 EEAELP CCc1cnc(C[N@@H+]2CCCCC[C@H]2CNC(=O)C[NH+]2CCCC2)o1 ZINC001448254352 1104252890 /nfs/dbraw/zinc/25/28/90/1104252890.db2.gz GPQLBSRDWXDTCX-INIZCTEOSA-N 2 2 348.491 2.194 10 0 EEAELP CCc1cnc(C[N@H+]2CCCCC[C@H]2CNC(=O)C[NH+]2CCCC2)o1 ZINC001448254352 1104252901 /nfs/dbraw/zinc/25/29/01/1104252901.db2.gz GPQLBSRDWXDTCX-INIZCTEOSA-N 2 2 348.491 2.194 10 0 EEAELP CC1(C)CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCn2cc[nH+]c2)C1 ZINC001494685510 1104273679 /nfs/dbraw/zinc/27/36/79/1104273679.db2.gz ODHQGANWJCTKOB-IRXDYDNUSA-N 2 2 330.476 2.385 10 0 EEAELP CC1(C)CC(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCn2cc[nH+]c2)C1 ZINC001494685510 1104273684 /nfs/dbraw/zinc/27/36/84/1104273684.db2.gz ODHQGANWJCTKOB-IRXDYDNUSA-N 2 2 330.476 2.385 10 0 EEAELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C)nc1C ZINC001495071654 1104711772 /nfs/dbraw/zinc/71/17/72/1104711772.db2.gz HHTJVPJXQDMZAW-CXAGYDPISA-N 2 2 343.475 2.285 10 0 EEAELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C)nc1C ZINC001495071654 1104711777 /nfs/dbraw/zinc/71/17/77/1104711777.db2.gz HHTJVPJXQDMZAW-CXAGYDPISA-N 2 2 343.475 2.285 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@@H](C[NH2+]CCC4CC4)C3)[nH+]c12 ZINC001480668814 1106851440 /nfs/dbraw/zinc/85/14/40/1106851440.db2.gz CGGYTZGQJWFNDM-KRWDZBQOSA-N 2 2 340.471 2.423 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1)n1cc[nH+]c1 ZINC001498127245 1106959710 /nfs/dbraw/zinc/95/97/10/1106959710.db2.gz GUWIQGZORKHNPT-QWHCGFSZSA-N 2 2 336.386 2.407 10 0 EEAELP C[N@H+](CCOCC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001480740533 1107030232 /nfs/dbraw/zinc/03/02/32/1107030232.db2.gz ZKBJNBFEJIFSOV-MRXNPFEDSA-N 2 2 348.491 2.037 10 0 EEAELP C[N@@H+](CCOCC1CC1)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001480740533 1107030245 /nfs/dbraw/zinc/03/02/45/1107030245.db2.gz ZKBJNBFEJIFSOV-MRXNPFEDSA-N 2 2 348.491 2.037 10 0 EEAELP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc2cccnc21 ZINC001480813675 1107163759 /nfs/dbraw/zinc/16/37/59/1107163759.db2.gz YHOAFZFGXGZEKR-HNNXBMFYSA-N 2 2 337.427 2.116 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccc(C(F)F)c1 ZINC001493066358 1107430684 /nfs/dbraw/zinc/43/06/84/1107430684.db2.gz DRHSBXHIMKOCRA-UHFFFAOYSA-N 2 2 336.386 2.459 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cccc(C(F)F)c1 ZINC001493066358 1107430694 /nfs/dbraw/zinc/43/06/94/1107430694.db2.gz DRHSBXHIMKOCRA-UHFFFAOYSA-N 2 2 336.386 2.459 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001493241572 1107756838 /nfs/dbraw/zinc/75/68/38/1107756838.db2.gz UYYPVYPPTQTJPG-HUUCEWRRSA-N 2 2 342.443 2.160 10 0 EEAELP COc1cccc([C@@H](C)[N@H+]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001493241572 1107756852 /nfs/dbraw/zinc/75/68/52/1107756852.db2.gz UYYPVYPPTQTJPG-HUUCEWRRSA-N 2 2 342.443 2.160 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1ncoc1C(C)C ZINC001498647447 1107889535 /nfs/dbraw/zinc/88/95/35/1107889535.db2.gz IEUMVHSDFQGFQV-UHFFFAOYSA-N 2 2 333.436 2.010 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001498779846 1108087250 /nfs/dbraw/zinc/08/72/50/1108087250.db2.gz VZXJVQAENVNFJC-INIZCTEOSA-N 2 2 345.468 2.379 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2CCc2ccccc2Cl)C1 ZINC001499066634 1108531180 /nfs/dbraw/zinc/53/11/80/1108531180.db2.gz MHTDMKBJQPZHBT-RDJZCZTQSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2CCc2ccccc2Cl)C1 ZINC001499066634 1108531187 /nfs/dbraw/zinc/53/11/87/1108531187.db2.gz MHTDMKBJQPZHBT-RDJZCZTQSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2CCc2ccccc2Cl)C1 ZINC001499066634 1108531192 /nfs/dbraw/zinc/53/11/92/1108531192.db2.gz MHTDMKBJQPZHBT-RDJZCZTQSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2CCc2ccccc2Cl)C1 ZINC001499066634 1108531197 /nfs/dbraw/zinc/53/11/97/1108531197.db2.gz MHTDMKBJQPZHBT-RDJZCZTQSA-N 2 2 349.906 2.415 10 0 EEAELP CCCCOCC[NH+]1CCC2(CCN(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001499584742 1112389342 /nfs/dbraw/zinc/38/93/42/1112389342.db2.gz JKCFYUFEDBKVIA-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP CO[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001501568353 1113385679 /nfs/dbraw/zinc/38/56/79/1113385679.db2.gz KHLAKJOZKBNDOQ-HZPDHXFCSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001501574790 1113388301 /nfs/dbraw/zinc/38/83/01/1113388301.db2.gz RQSKLFKCIOCOSZ-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001501574790 1113388302 /nfs/dbraw/zinc/38/83/02/1113388302.db2.gz RQSKLFKCIOCOSZ-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@H](CC[NH2+]Cc2ccns2)C1)n1cc[nH+]c1 ZINC001501625150 1113404386 /nfs/dbraw/zinc/40/43/86/1113404386.db2.gz DQABYYLRJZSMSA-GJZGRUSLSA-N 2 2 347.488 2.319 10 0 EEAELP CC(C)(C)c1cc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)no1 ZINC001502025796 1113563068 /nfs/dbraw/zinc/56/30/68/1113563068.db2.gz FJCOYZOPYOTFQY-UHFFFAOYSA-N 2 2 348.491 2.196 10 0 EEAELP CC(C)OCCC[NH2+]C1CCC(N(C)C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001505788130 1114192680 /nfs/dbraw/zinc/19/26/80/1114192680.db2.gz JNTXBCSRMBLOJD-UHFFFAOYSA-N 2 2 336.480 2.127 10 0 EEAELP Cc1nc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)cs1 ZINC001506753487 1114867763 /nfs/dbraw/zinc/86/77/63/1114867763.db2.gz PPFHIEDIAALXIM-OAHLLOKOSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1nc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C2)cs1 ZINC001506753487 1114867765 /nfs/dbraw/zinc/86/77/65/1114867765.db2.gz PPFHIEDIAALXIM-OAHLLOKOSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1nc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)cs1 ZINC001506753487 1114867766 /nfs/dbraw/zinc/86/77/66/1114867766.db2.gz PPFHIEDIAALXIM-OAHLLOKOSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)cs1 ZINC001506753487 1114867768 /nfs/dbraw/zinc/86/77/68/1114867768.db2.gz PPFHIEDIAALXIM-OAHLLOKOSA-N 2 2 338.521 2.118 10 0 EEAELP CC(C)=CC[NH2+][C@H](C)[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001506838361 1114904287 /nfs/dbraw/zinc/90/42/87/1114904287.db2.gz VMLMEIGSFKROAE-IAGOWNOFSA-N 2 2 348.491 2.098 10 0 EEAELP CCNc1cc(CNC(=O)NCCCCn2cc[nH+]c2C)cc[nH+]1 ZINC001520890075 1119199850 /nfs/dbraw/zinc/19/98/50/1119199850.db2.gz JFFGTIDEIHNEAM-UHFFFAOYSA-N 2 2 330.436 2.298 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001568685913 1124698276 /nfs/dbraw/zinc/69/82/76/1124698276.db2.gz CPKNYRXKZURYBI-NWDGAFQWSA-N 2 2 335.477 2.038 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001569065415 1125076026 /nfs/dbraw/zinc/07/60/26/1125076026.db2.gz KPXXSBSSILSZMO-QMMRJVTOSA-N 2 2 338.455 2.253 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)c(F)c1)C(=O)CCn1cc[nH+]c1 ZINC001569227493 1125180063 /nfs/dbraw/zinc/18/00/63/1125180063.db2.gz FRDLYQPSYDHVCV-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000049157765 213991363 /nfs/dbraw/zinc/99/13/63/213991363.db2.gz CQSYJMQNNKABEQ-HNNXBMFYSA-N 2 2 347.488 2.311 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178061747 232071033 /nfs/dbraw/zinc/07/10/33/232071033.db2.gz MRCLJYFOVDMQMD-UHFFFAOYSA-N 2 2 338.411 2.205 10 0 EEAELP C[N@H+](CCCCS(C)(=O)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000163955123 539536969 /nfs/dbraw/zinc/53/69/69/539536969.db2.gz CQNPXEYZMMJXHQ-SFHVURJKSA-N 2 2 338.517 2.265 10 0 EEAELP C[N@@H+](CCCCS(C)(=O)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000163955123 539536972 /nfs/dbraw/zinc/53/69/72/539536972.db2.gz CQNPXEYZMMJXHQ-SFHVURJKSA-N 2 2 338.517 2.265 10 0 EEAELP C[NH+](CCCCS(C)(=O)=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000163955123 539536975 /nfs/dbraw/zinc/53/69/75/539536975.db2.gz CQNPXEYZMMJXHQ-SFHVURJKSA-N 2 2 338.517 2.265 10 0 EEAELP C[NH+](CCCCS(C)(=O)=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000163955123 539536979 /nfs/dbraw/zinc/53/69/79/539536979.db2.gz CQNPXEYZMMJXHQ-SFHVURJKSA-N 2 2 338.517 2.265 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070534 539817875 /nfs/dbraw/zinc/81/78/75/539817875.db2.gz ZLZOFTYRPXGQDD-PMACEKPBSA-N 3 2 329.488 2.235 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070534 539817879 /nfs/dbraw/zinc/81/78/79/539817879.db2.gz ZLZOFTYRPXGQDD-PMACEKPBSA-N 3 2 329.488 2.235 10 0 EEAELP CCNC(=O)C1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCC1 ZINC000423082478 240356175 /nfs/dbraw/zinc/35/61/75/240356175.db2.gz WXFWHPFQUKFOOE-ROUUACIJSA-N 2 2 345.487 2.384 10 0 EEAELP Cc1[nH+]c[nH]c1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000426708793 241330894 /nfs/dbraw/zinc/33/08/94/241330894.db2.gz NCGASMPVZVJYFT-UHFFFAOYSA-N 2 2 332.314 2.166 10 0 EEAELP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000236703342 242327498 /nfs/dbraw/zinc/32/74/98/242327498.db2.gz ZEOSOVOHGRRQJC-BLLLJJGKSA-N 2 2 339.430 2.419 10 0 EEAELP CC(C)(C)[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000236703342 242327503 /nfs/dbraw/zinc/32/75/03/242327503.db2.gz ZEOSOVOHGRRQJC-BLLLJJGKSA-N 2 2 339.430 2.419 10 0 EEAELP Cn1c[nH+]cc1CC[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000459278476 245061161 /nfs/dbraw/zinc/06/11/61/245061161.db2.gz JGQUZMBCCXJXKR-UHFFFAOYSA-N 2 2 332.835 2.074 10 0 EEAELP Cc1cc2c(ncnc2N2CC[NH+](CCc3c[nH+]cn3C)CC2)s1 ZINC000459441689 245123300 /nfs/dbraw/zinc/12/33/00/245123300.db2.gz ICLIAAKLIGHRMQ-UHFFFAOYSA-N 2 2 342.472 2.098 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000459704411 245214918 /nfs/dbraw/zinc/21/49/18/245214918.db2.gz HASDJHUMTGALMZ-NXHRZFHOSA-N 2 2 328.460 2.096 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)c2ccnn2C)CC[N@H+]1Cc1ccccc1 ZINC000459704411 245214925 /nfs/dbraw/zinc/21/49/25/245214925.db2.gz HASDJHUMTGALMZ-NXHRZFHOSA-N 2 2 328.460 2.096 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccco1 ZINC000263839406 245748465 /nfs/dbraw/zinc/74/84/65/245748465.db2.gz PTQRQIOIGKNEAJ-AWEZNQCLSA-N 2 2 331.420 2.195 10 0 EEAELP CNC(=O)c1cccc(CC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000095423017 218365231 /nfs/dbraw/zinc/36/52/31/218365231.db2.gz JVUBCUXLOBIROO-UHFFFAOYSA-N 2 2 338.455 2.242 10 0 EEAELP COc1ncccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287462 256009674 /nfs/dbraw/zinc/00/96/74/256009674.db2.gz HJDIDHOCMXJMJJ-QGZVFWFLSA-N 2 2 326.444 2.439 10 0 EEAELP COc1ncccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287462 256009676 /nfs/dbraw/zinc/00/96/76/256009676.db2.gz HJDIDHOCMXJMJJ-QGZVFWFLSA-N 2 2 326.444 2.439 10 0 EEAELP COc1ncccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195287462 256009677 /nfs/dbraw/zinc/00/96/77/256009677.db2.gz HJDIDHOCMXJMJJ-QGZVFWFLSA-N 2 2 326.444 2.439 10 0 EEAELP COc1ncccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195287462 256009679 /nfs/dbraw/zinc/00/96/79/256009679.db2.gz HJDIDHOCMXJMJJ-QGZVFWFLSA-N 2 2 326.444 2.439 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154591896 224276864 /nfs/dbraw/zinc/27/68/64/224276864.db2.gz RBMODLHRFRDCNL-BBRMVZONSA-N 2 2 325.478 2.193 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154591896 224276866 /nfs/dbraw/zinc/27/68/66/224276866.db2.gz RBMODLHRFRDCNL-BBRMVZONSA-N 2 2 325.478 2.193 10 0 EEAELP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271314006 256232223 /nfs/dbraw/zinc/23/22/23/256232223.db2.gz MSLCZUZPISJMEE-BZUAXINKSA-N 2 2 341.459 2.364 10 0 EEAELP COc1ccc(OC)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000271715543 256237443 /nfs/dbraw/zinc/23/74/43/256237443.db2.gz QIAUZGYPOOJZJX-UHFFFAOYSA-N 2 2 335.492 2.162 10 0 EEAELP COc1ccc(OC)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000271715543 256237444 /nfs/dbraw/zinc/23/74/44/256237444.db2.gz QIAUZGYPOOJZJX-UHFFFAOYSA-N 2 2 335.492 2.162 10 0 EEAELP COc1ccc(OC)c(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000271715543 256237446 /nfs/dbraw/zinc/23/74/46/256237446.db2.gz QIAUZGYPOOJZJX-UHFFFAOYSA-N 2 2 335.492 2.162 10 0 EEAELP COc1ccc(OC)c(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000271715543 256237448 /nfs/dbraw/zinc/23/74/48/256237448.db2.gz QIAUZGYPOOJZJX-UHFFFAOYSA-N 2 2 335.492 2.162 10 0 EEAELP Cc1cc(NC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)cc[nH+]1 ZINC000119513225 221337002 /nfs/dbraw/zinc/33/70/02/221337002.db2.gz LYJOOYPTSVMSRD-UHFFFAOYSA-N 2 2 342.447 2.215 10 0 EEAELP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000074535897 292175868 /nfs/dbraw/zinc/17/58/68/292175868.db2.gz WPWVBOMSXNDJOA-INIZCTEOSA-N 2 2 335.496 2.412 10 0 EEAELP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000074535897 292175870 /nfs/dbraw/zinc/17/58/70/292175870.db2.gz WPWVBOMSXNDJOA-INIZCTEOSA-N 2 2 335.496 2.412 10 0 EEAELP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000252735574 160393072 /nfs/dbraw/zinc/39/30/72/160393072.db2.gz NECPPUUVINVNAF-WBVHZDCISA-N 2 2 325.403 2.168 10 0 EEAELP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000252735574 160393073 /nfs/dbraw/zinc/39/30/73/160393073.db2.gz NECPPUUVINVNAF-WBVHZDCISA-N 2 2 325.403 2.168 10 0 EEAELP COCCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079786 159213971 /nfs/dbraw/zinc/21/39/71/159213971.db2.gz DSJBZPXREGLNRR-KRWDZBQOSA-N 2 2 348.487 2.397 10 0 EEAELP COCCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000092079786 159213972 /nfs/dbraw/zinc/21/39/72/159213972.db2.gz DSJBZPXREGLNRR-KRWDZBQOSA-N 2 2 348.487 2.397 10 0 EEAELP CC(C)n1nnnc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821666 159227399 /nfs/dbraw/zinc/22/73/99/159227399.db2.gz XICPQCOXLJJZHU-UHFFFAOYSA-N 2 2 343.479 2.388 10 0 EEAELP CC(C)n1nnnc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821666 159227400 /nfs/dbraw/zinc/22/74/00/159227400.db2.gz XICPQCOXLJJZHU-UHFFFAOYSA-N 2 2 343.479 2.388 10 0 EEAELP OC[C@H](CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)c1ccccc1 ZINC000119494386 159378783 /nfs/dbraw/zinc/37/87/83/159378783.db2.gz VVGUFLDPQBYVAG-HNNXBMFYSA-N 2 2 346.394 2.399 10 0 EEAELP Cc1ccnc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000184102593 159999623 /nfs/dbraw/zinc/99/96/23/159999623.db2.gz ZHLREFWFTARNJK-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186465287 160072003 /nfs/dbraw/zinc/07/20/03/160072003.db2.gz LWISUNSRTRVBQY-KRWDZBQOSA-N 2 2 345.491 2.178 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193645451 160184870 /nfs/dbraw/zinc/18/48/70/160184870.db2.gz LHQFEHGVIUCEKG-OZVIIMIRSA-N 2 2 337.826 2.078 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193645451 160184871 /nfs/dbraw/zinc/18/48/71/160184871.db2.gz LHQFEHGVIUCEKG-OZVIIMIRSA-N 2 2 337.826 2.078 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193645451 160184872 /nfs/dbraw/zinc/18/48/72/160184872.db2.gz LHQFEHGVIUCEKG-OZVIIMIRSA-N 2 2 337.826 2.078 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(F)c(Cl)c4)C3=O)C[C@@H]2C1 ZINC000193645451 160184873 /nfs/dbraw/zinc/18/48/73/160184873.db2.gz LHQFEHGVIUCEKG-OZVIIMIRSA-N 2 2 337.826 2.078 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccccc2C)[C@@H](C)C1 ZINC000245426355 160233899 /nfs/dbraw/zinc/23/38/99/160233899.db2.gz LHAHFDQHUHBFGZ-HKUYNNGSSA-N 2 2 331.504 2.316 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccccc2C)[C@@H](C)C1 ZINC000245426355 160233900 /nfs/dbraw/zinc/23/39/00/160233900.db2.gz LHAHFDQHUHBFGZ-HKUYNNGSSA-N 2 2 331.504 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2ccccc2C)[C@@H](C)C1 ZINC000245426355 160233902 /nfs/dbraw/zinc/23/39/02/160233902.db2.gz LHAHFDQHUHBFGZ-HKUYNNGSSA-N 2 2 331.504 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccccc2C)[C@@H](C)C1 ZINC000245426355 160233903 /nfs/dbraw/zinc/23/39/03/160233903.db2.gz LHAHFDQHUHBFGZ-HKUYNNGSSA-N 2 2 331.504 2.316 10 0 EEAELP CCOCc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246617440 160287012 /nfs/dbraw/zinc/28/70/12/160287012.db2.gz GZIYSPIZJDEWMJ-LPHOPBHVSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246617440 160287014 /nfs/dbraw/zinc/28/70/14/160287014.db2.gz GZIYSPIZJDEWMJ-LPHOPBHVSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246617440 160287016 /nfs/dbraw/zinc/28/70/16/160287016.db2.gz GZIYSPIZJDEWMJ-LPHOPBHVSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246617440 160287018 /nfs/dbraw/zinc/28/70/18/160287018.db2.gz GZIYSPIZJDEWMJ-LPHOPBHVSA-N 2 2 347.503 2.254 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367850407 166011531 /nfs/dbraw/zinc/01/15/31/166011531.db2.gz QFQZPPKWJYHLMS-KBXCAEBGSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367850407 166011532 /nfs/dbraw/zinc/01/15/32/166011532.db2.gz QFQZPPKWJYHLMS-KBXCAEBGSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367850407 166011533 /nfs/dbraw/zinc/01/15/33/166011533.db2.gz QFQZPPKWJYHLMS-KBXCAEBGSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367850407 166011534 /nfs/dbraw/zinc/01/15/34/166011534.db2.gz QFQZPPKWJYHLMS-KBXCAEBGSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000367911957 166019667 /nfs/dbraw/zinc/01/96/67/166019667.db2.gz RDGQJFAKBPGNMW-JCKWVBRZSA-N 2 2 341.459 2.258 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000367911957 166019669 /nfs/dbraw/zinc/01/96/69/166019669.db2.gz RDGQJFAKBPGNMW-JCKWVBRZSA-N 2 2 341.459 2.258 10 0 EEAELP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000366831205 165866551 /nfs/dbraw/zinc/86/65/51/165866551.db2.gz UKOOVTWGHYEIMS-BPUTZDHNSA-N 2 2 328.416 2.335 10 0 EEAELP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000376674827 167373066 /nfs/dbraw/zinc/37/30/66/167373066.db2.gz UCQZNJDSUUQBTD-WBVHZDCISA-N 2 2 345.491 2.188 10 0 EEAELP COc1cc2c(NC[C@@H](C)N3CC[NH+](C)CC3)cc[nH+]c2cc1F ZINC000280652627 269381868 /nfs/dbraw/zinc/38/18/68/269381868.db2.gz FTBHNUMNZXERJJ-CYBMUJFWSA-N 2 2 332.423 2.430 10 0 EEAELP COc1cc2c(NC[C@@H](C)[NH+]3CCN(C)CC3)cc[nH+]c2cc1F ZINC000280652627 269381870 /nfs/dbraw/zinc/38/18/70/269381870.db2.gz FTBHNUMNZXERJJ-CYBMUJFWSA-N 2 2 332.423 2.430 10 0 EEAELP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271440649 274131713 /nfs/dbraw/zinc/13/17/13/274131713.db2.gz CIPMUPOLPLFIBO-DOTOQJQBSA-N 2 2 339.842 2.435 10 0 EEAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422842465 275074808 /nfs/dbraw/zinc/07/48/08/275074808.db2.gz YGGQJDMZJJEIJZ-MNEFBYGVSA-N 3 2 349.544 2.317 10 0 EEAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422842465 275074810 /nfs/dbraw/zinc/07/48/10/275074810.db2.gz YGGQJDMZJJEIJZ-MNEFBYGVSA-N 3 2 349.544 2.317 10 0 EEAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)c1 ZINC000422842465 275074811 /nfs/dbraw/zinc/07/48/11/275074811.db2.gz YGGQJDMZJJEIJZ-MNEFBYGVSA-N 2 2 349.544 2.317 10 0 EEAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)c1 ZINC000422842465 275074813 /nfs/dbraw/zinc/07/48/13/275074813.db2.gz YGGQJDMZJJEIJZ-MNEFBYGVSA-N 2 2 349.544 2.317 10 0 EEAELP COc1c(O)cccc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000290124165 275182088 /nfs/dbraw/zinc/18/20/88/275182088.db2.gz JCKVUUSMLMPOHW-UHFFFAOYSA-N 2 2 345.443 2.416 10 0 EEAELP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)CC1CC[NH+](C)CC1 ZINC000291562344 275317811 /nfs/dbraw/zinc/31/78/11/275317811.db2.gz RPFOMUBZGAOPSM-UHFFFAOYSA-N 2 2 332.370 2.136 10 0 EEAELP C[C@H](C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1)[NH+]1CCSCC1 ZINC000356438947 278151648 /nfs/dbraw/zinc/15/16/48/278151648.db2.gz YFJVJILHJZKQCN-OAHLLOKOSA-N 2 2 339.549 2.218 10 0 EEAELP C[C@H](C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1)[NH+]1CCSCC1 ZINC000356438947 278151649 /nfs/dbraw/zinc/15/16/49/278151649.db2.gz YFJVJILHJZKQCN-OAHLLOKOSA-N 2 2 339.549 2.218 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000358118231 288098193 /nfs/dbraw/zinc/09/81/93/288098193.db2.gz BFCCQQOAZHKCSA-ZTFGCOKTSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000358118231 288098194 /nfs/dbraw/zinc/09/81/94/288098194.db2.gz BFCCQQOAZHKCSA-ZTFGCOKTSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@@H+](C2CCC2)C1 ZINC000293798648 293298378 /nfs/dbraw/zinc/29/83/78/293298378.db2.gz XJYYQKIOECJGPB-HNNXBMFYSA-N 2 2 339.443 2.214 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC[N@H+](C2CCC2)C1 ZINC000293798648 293298379 /nfs/dbraw/zinc/29/83/79/293298379.db2.gz XJYYQKIOECJGPB-HNNXBMFYSA-N 2 2 339.443 2.214 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000297041329 294136985 /nfs/dbraw/zinc/13/69/85/294136985.db2.gz KLKHPFDBMZMBGI-WBVHZDCISA-N 2 2 341.459 2.365 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000297041329 294136986 /nfs/dbraw/zinc/13/69/86/294136986.db2.gz KLKHPFDBMZMBGI-WBVHZDCISA-N 2 2 341.459 2.365 10 0 EEAELP [NH3+]C1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCOCC1 ZINC000261765736 295204946 /nfs/dbraw/zinc/20/49/46/295204946.db2.gz GEUXFEOMANLEME-UHFFFAOYSA-N 2 2 328.416 2.209 10 0 EEAELP c1cc(N[C@@H]2CCCC[C@H]2[C@@H]2CCOC2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423229530 304851804 /nfs/dbraw/zinc/85/18/04/304851804.db2.gz HKZIGPCCHRHMPG-BPQIPLTHSA-N 2 2 330.476 2.498 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000284199060 311470374 /nfs/dbraw/zinc/47/03/74/311470374.db2.gz SJPVARRWAXWKQP-CABCVRRESA-N 2 2 333.457 2.348 10 0 EEAELP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414831115 313098817 /nfs/dbraw/zinc/09/88/17/313098817.db2.gz MRHKUWUDGGWJJU-KDOFPFPSSA-N 2 2 337.423 2.351 10 0 EEAELP CC(C)(CN1CCCC1)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420981944 314014887 /nfs/dbraw/zinc/01/48/87/314014887.db2.gz ZDOGHSOZSDLJJX-UHFFFAOYSA-N 2 2 331.504 2.483 10 0 EEAELP CC(C)(C[NH+]1CCCC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000420981944 314014889 /nfs/dbraw/zinc/01/48/89/314014889.db2.gz ZDOGHSOZSDLJJX-UHFFFAOYSA-N 2 2 331.504 2.483 10 0 EEAELP Cn1cc[nH+]c1[C@H](CC(=O)N1CCC[C@H]1C[NH+](C)C)C(F)(F)F ZINC000521366663 316909603 /nfs/dbraw/zinc/90/96/03/316909603.db2.gz MJDGHAANURNNEK-RYUDHWBXSA-N 2 2 332.370 2.009 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N(C)CCC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000542678213 318136570 /nfs/dbraw/zinc/13/65/70/318136570.db2.gz ZSULYEIMTKYNLS-INIZCTEOSA-N 2 2 348.491 2.495 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000563464267 319013907 /nfs/dbraw/zinc/01/39/07/319013907.db2.gz YMBCQFGJVRBRFO-RKVPGOIHSA-N 2 2 346.475 2.199 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000565705342 319206228 /nfs/dbraw/zinc/20/62/28/319206228.db2.gz KLBPGENQEXHLBK-MRXNPFEDSA-N 2 2 333.480 2.070 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@H]2CCCc3occc32)C1=O ZINC000565931957 319227509 /nfs/dbraw/zinc/22/75/09/319227509.db2.gz FKBPPICXVKYUSR-GJZGRUSLSA-N 2 2 328.416 2.171 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)Cc1ccc(F)cc1C ZINC000566220206 319261294 /nfs/dbraw/zinc/26/12/94/319261294.db2.gz ILWBXNVRXWJBCX-QOKNQOGYSA-N 2 2 347.478 2.111 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)Cc1ccc(F)cc1C ZINC000566220206 319261296 /nfs/dbraw/zinc/26/12/96/319261296.db2.gz ILWBXNVRXWJBCX-QOKNQOGYSA-N 2 2 347.478 2.111 10 0 EEAELP O=C(NCC1=CC[NH2+]CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000570183446 319643889 /nfs/dbraw/zinc/64/38/89/319643889.db2.gz JIIJZSSWNCHSGT-UHFFFAOYSA-N 2 2 335.477 2.170 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c[nH+]1 ZINC000572466073 319847948 /nfs/dbraw/zinc/84/79/48/319847948.db2.gz YOZASLGALCQWBN-LJQANCHMSA-N 2 2 345.491 2.213 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3CCc4ccccc4[C@H]3C[NH3+])cn2c1 ZINC000575121534 320088502 /nfs/dbraw/zinc/08/85/02/320088502.db2.gz VIEVKJGTCVRXRN-GOSISDBHSA-N 2 2 349.438 2.410 10 0 EEAELP O=C(CC[NH2+]C[C@@H]1CCCC[N@H+]1CCO)Nc1cccc(Cl)c1 ZINC000576160095 320145996 /nfs/dbraw/zinc/14/59/96/320145996.db2.gz USGGFOKYHWXLNG-INIZCTEOSA-N 2 2 339.867 2.105 10 0 EEAELP O=C(CC[NH2+]C[C@@H]1CCCC[N@@H+]1CCO)Nc1cccc(Cl)c1 ZINC000576160095 320145997 /nfs/dbraw/zinc/14/59/97/320145997.db2.gz USGGFOKYHWXLNG-INIZCTEOSA-N 2 2 339.867 2.105 10 0 EEAELP CC(C)Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000576685123 320194711 /nfs/dbraw/zinc/19/47/11/320194711.db2.gz YTNMAKLBSOGPBX-ZDUSSCGKSA-N 2 2 340.855 2.234 10 0 EEAELP CC(C)Oc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1Cl ZINC000576685123 320194712 /nfs/dbraw/zinc/19/47/12/320194712.db2.gz YTNMAKLBSOGPBX-ZDUSSCGKSA-N 2 2 340.855 2.234 10 0 EEAELP CSc1ccc([C@H](CNC(=O)C[NH+]2CC(C)(C)C2)[NH+](C)C)cc1 ZINC000577123039 320233908 /nfs/dbraw/zinc/23/39/08/320233908.db2.gz AMIWRIAEKZZUKH-INIZCTEOSA-N 2 2 335.517 2.469 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000582117574 324383861 /nfs/dbraw/zinc/38/38/61/324383861.db2.gz WHFGTDAHSFSMHY-AWEZNQCLSA-N 2 2 340.265 2.462 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000582117574 324383864 /nfs/dbraw/zinc/38/38/64/324383864.db2.gz WHFGTDAHSFSMHY-AWEZNQCLSA-N 2 2 340.265 2.462 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358282978 465037700 /nfs/dbraw/zinc/03/77/00/465037700.db2.gz DKQANIZYEWFGBJ-CQSZACIVSA-N 2 2 345.447 2.024 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000358282978 465037706 /nfs/dbraw/zinc/03/77/06/465037706.db2.gz DKQANIZYEWFGBJ-CQSZACIVSA-N 2 2 345.447 2.024 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358282978 465037710 /nfs/dbraw/zinc/03/77/10/465037710.db2.gz DKQANIZYEWFGBJ-CQSZACIVSA-N 2 2 345.447 2.024 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000358282978 465037716 /nfs/dbraw/zinc/03/77/16/465037716.db2.gz DKQANIZYEWFGBJ-CQSZACIVSA-N 2 2 345.447 2.024 10 0 EEAELP CCC1(CC)[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C[C@H]1OC ZINC000341332816 465116754 /nfs/dbraw/zinc/11/67/54/465116754.db2.gz WWTJLIMCLFKTRB-ARFHVFGLSA-N 2 2 348.491 2.094 10 0 EEAELP CC[N@H+](CCO)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000339353049 465219982 /nfs/dbraw/zinc/21/99/82/465219982.db2.gz FGIZFHNNPTVNDT-CQSZACIVSA-N 2 2 341.293 2.210 10 0 EEAELP CC[N@@H+](CCO)CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000339353049 465219986 /nfs/dbraw/zinc/21/99/86/465219986.db2.gz FGIZFHNNPTVNDT-CQSZACIVSA-N 2 2 341.293 2.210 10 0 EEAELP CC(C)n1nccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000337187479 465233693 /nfs/dbraw/zinc/23/36/93/465233693.db2.gz QCEDRVYGMFZHGF-JJTKIYQPSA-N 2 2 331.508 2.207 10 0 EEAELP CC(C)n1nccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000337187479 465233698 /nfs/dbraw/zinc/23/36/98/465233698.db2.gz QCEDRVYGMFZHGF-JJTKIYQPSA-N 2 2 331.508 2.207 10 0 EEAELP CC(C)n1nccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000337187479 465233703 /nfs/dbraw/zinc/23/37/03/465233703.db2.gz QCEDRVYGMFZHGF-JJTKIYQPSA-N 2 2 331.508 2.207 10 0 EEAELP CC(C)n1nccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000337187479 465233708 /nfs/dbraw/zinc/23/37/08/465233708.db2.gz QCEDRVYGMFZHGF-JJTKIYQPSA-N 2 2 331.508 2.207 10 0 EEAELP COc1ccc(F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000351699529 465299785 /nfs/dbraw/zinc/29/97/85/465299785.db2.gz BHJCFGQSBNWUBG-HNAYVOBHSA-N 2 2 335.467 2.292 10 0 EEAELP COc1ccc(F)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000351699529 465299791 /nfs/dbraw/zinc/29/97/91/465299791.db2.gz BHJCFGQSBNWUBG-HNAYVOBHSA-N 2 2 335.467 2.292 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@H]2CC=CCC2)([NH+]2CCCCC2)CC1 ZINC000074330185 462588271 /nfs/dbraw/zinc/58/82/71/462588271.db2.gz XEBOHBAZSMBQFW-KRWDZBQOSA-N 2 2 334.508 2.345 10 0 EEAELP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000074818401 462638406 /nfs/dbraw/zinc/63/84/06/462638406.db2.gz WIDKWTMFNFRLSU-QGZVFWFLSA-N 2 2 341.459 2.167 10 0 EEAELP C[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000129554562 462712784 /nfs/dbraw/zinc/71/27/84/462712784.db2.gz NRZDBRRAUZADPW-SFHVURJKSA-N 2 2 341.459 2.025 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000130792578 462777175 /nfs/dbraw/zinc/77/71/75/462777175.db2.gz XGHQFJQXGOESLG-QGZVFWFLSA-N 2 2 328.460 2.328 10 0 EEAELP c1cn(CCC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c[nH+]1 ZINC000048310716 462892048 /nfs/dbraw/zinc/89/20/48/462892048.db2.gz USPAJMUBTNPRJE-UHFFFAOYSA-N 2 2 339.399 2.224 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC000120595138 463015819 /nfs/dbraw/zinc/01/58/19/463015819.db2.gz ADCLAFQXOCGLKE-BZUAXINKSA-N 2 2 345.491 2.009 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC000120595138 463015829 /nfs/dbraw/zinc/01/58/29/463015829.db2.gz ADCLAFQXOCGLKE-BZUAXINKSA-N 2 2 345.491 2.009 10 0 EEAELP CC[C@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000120724385 463031633 /nfs/dbraw/zinc/03/16/33/463031633.db2.gz OLFZRQXBFVWVBK-AEFFLSMTSA-N 2 2 342.487 2.458 10 0 EEAELP CC[C@H](CO)[NH+]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000093740062 463045628 /nfs/dbraw/zinc/04/56/28/463045628.db2.gz YFDNBEWPCSTCNQ-QGZVFWFLSA-N 2 2 328.460 2.069 10 0 EEAELP OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000158269880 463221719 /nfs/dbraw/zinc/22/17/19/463221719.db2.gz UOBHUCNJJMZXBF-HXUWFJFHSA-N 2 2 325.456 2.239 10 0 EEAELP CC(C)c1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)no1 ZINC000122952559 463304623 /nfs/dbraw/zinc/30/46/23/463304623.db2.gz ZBWWKBXKOAMVHK-UHFFFAOYSA-N 2 2 348.491 2.478 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105104206 463438487 /nfs/dbraw/zinc/43/84/87/463438487.db2.gz VQXGEBXERANTFA-HNNXBMFYSA-N 2 2 347.850 2.367 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105104206 463438491 /nfs/dbraw/zinc/43/84/91/463438491.db2.gz VQXGEBXERANTFA-HNNXBMFYSA-N 2 2 347.850 2.367 10 0 EEAELP Cc1cnn(C2C[NH+](C[C@@H](O)Cn3c[nH+]c4cc(C)c(C)cc43)C2)c1 ZINC000071876822 463451403 /nfs/dbraw/zinc/45/14/03/463451403.db2.gz KJJMZISPBVFDIS-QGZVFWFLSA-N 2 2 339.443 2.076 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000125269759 463523891 /nfs/dbraw/zinc/52/38/91/463523891.db2.gz ITVONVCJBCBLGY-LEOMRAHMSA-N 2 2 346.475 2.365 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)NCc1ccc(F)cc1 ZINC000084001086 463573417 /nfs/dbraw/zinc/57/34/17/463573417.db2.gz JTAHJPGCTNYSAB-ZFWWWQNUSA-N 2 2 330.407 2.194 10 0 EEAELP c1cn(-c2ccc(C[NH2+][C@@H]3CCCN(c4ncccn4)C3)cc2)c[nH+]1 ZINC000042952719 463608456 /nfs/dbraw/zinc/60/84/56/463608456.db2.gz KXIKTFNYVCPPQU-QGZVFWFLSA-N 2 2 334.427 2.421 10 0 EEAELP C[C@@H]1C[N@H+](C[C@]2(C)CC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000261712879 463835257 /nfs/dbraw/zinc/83/52/57/463835257.db2.gz DVBQGXKHMYBBBJ-DNVCBOLYSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@@H]1C[N@@H+](C[C@]2(C)CC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000261712879 463835261 /nfs/dbraw/zinc/83/52/61/463835261.db2.gz DVBQGXKHMYBBBJ-DNVCBOLYSA-N 2 2 349.906 2.415 10 0 EEAELP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261968863 463913910 /nfs/dbraw/zinc/91/39/10/463913910.db2.gz QJHLMODRRWIPJM-MHTWAQMVSA-N 2 2 343.515 2.398 10 0 EEAELP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261968863 463913917 /nfs/dbraw/zinc/91/39/17/463913917.db2.gz QJHLMODRRWIPJM-MHTWAQMVSA-N 2 2 343.515 2.398 10 0 EEAELP C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000171753116 463919512 /nfs/dbraw/zinc/91/95/12/463919512.db2.gz JULAWZQBGYDYDT-SFHVURJKSA-N 2 2 341.459 2.072 10 0 EEAELP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000171753116 463919515 /nfs/dbraw/zinc/91/95/15/463919515.db2.gz JULAWZQBGYDYDT-SFHVURJKSA-N 2 2 341.459 2.072 10 0 EEAELP C[N@@H+]1CC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@@H]1c1ccccc1 ZINC000278827022 463996768 /nfs/dbraw/zinc/99/67/68/463996768.db2.gz ULUSDCPHNSYOIJ-LPHOPBHVSA-N 2 2 339.443 2.171 10 0 EEAELP C[N@H+]1CC[C@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@@H]1c1ccccc1 ZINC000278827022 463996772 /nfs/dbraw/zinc/99/67/72/463996772.db2.gz ULUSDCPHNSYOIJ-LPHOPBHVSA-N 2 2 339.443 2.171 10 0 EEAELP C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000263271512 464074859 /nfs/dbraw/zinc/07/48/59/464074859.db2.gz SGFPXTARBNAGKU-NUEKZKHPSA-N 2 2 337.414 2.010 10 0 EEAELP C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263271512 464074861 /nfs/dbraw/zinc/07/48/61/464074861.db2.gz SGFPXTARBNAGKU-NUEKZKHPSA-N 2 2 337.414 2.010 10 0 EEAELP C[NH2+]CCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000237204106 464282576 /nfs/dbraw/zinc/28/25/76/464282576.db2.gz ZYHZHYSBWYVTRA-CYBMUJFWSA-N 2 2 325.403 2.045 10 0 EEAELP C[NH2+]CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000237204106 464282583 /nfs/dbraw/zinc/28/25/83/464282583.db2.gz ZYHZHYSBWYVTRA-CYBMUJFWSA-N 2 2 325.403 2.045 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174288913 464388201 /nfs/dbraw/zinc/38/82/01/464388201.db2.gz KKBZWPLMBCGILD-INIZCTEOSA-N 2 2 333.480 2.166 10 0 EEAELP COC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCCC1 ZINC000579786542 468406911 /nfs/dbraw/zinc/40/69/11/468406911.db2.gz IRCRXHZAKJSLPQ-UHFFFAOYSA-N 2 2 337.508 2.012 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC(C)(C)C ZINC000190605541 464685831 /nfs/dbraw/zinc/68/58/31/464685831.db2.gz MTPOURUYLMMNMK-UONOGXRCSA-N 2 2 349.479 2.197 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)cn21 ZINC000247542977 464693673 /nfs/dbraw/zinc/69/36/73/464693673.db2.gz YOWANVKBZFMSCE-ZBFHGGJFSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)cn21 ZINC000247542977 464693677 /nfs/dbraw/zinc/69/36/77/464693677.db2.gz YOWANVKBZFMSCE-ZBFHGGJFSA-N 2 2 327.432 2.021 10 0 EEAELP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000248652299 464779932 /nfs/dbraw/zinc/77/99/32/464779932.db2.gz NQOCLXLVSUDCCT-RBUKOAKNSA-N 2 2 344.503 2.235 10 0 EEAELP CC(C)N1CCC[C@@H]([N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000248652299 464779935 /nfs/dbraw/zinc/77/99/35/464779935.db2.gz NQOCLXLVSUDCCT-RBUKOAKNSA-N 2 2 344.503 2.235 10 0 EEAELP CC(C)N1CCC[C@@H]([NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000248652299 464779938 /nfs/dbraw/zinc/77/99/38/464779938.db2.gz NQOCLXLVSUDCCT-RBUKOAKNSA-N 2 2 344.503 2.235 10 0 EEAELP CC(C)N1CCC[C@@H]([NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000248652299 464779940 /nfs/dbraw/zinc/77/99/40/464779940.db2.gz NQOCLXLVSUDCCT-RBUKOAKNSA-N 2 2 344.503 2.235 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000266911142 464868208 /nfs/dbraw/zinc/86/82/08/464868208.db2.gz SMROAISJABFXTH-FUHWJXTLSA-N 2 2 345.487 2.074 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000266911142 464868213 /nfs/dbraw/zinc/86/82/13/464868213.db2.gz SMROAISJABFXTH-FUHWJXTLSA-N 2 2 345.487 2.074 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000597057416 468430159 /nfs/dbraw/zinc/43/01/59/468430159.db2.gz LKNGDRSQZOHBQS-ZDUSSCGKSA-N 2 2 340.851 2.185 10 0 EEAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000298932709 465544623 /nfs/dbraw/zinc/54/46/23/465544623.db2.gz HOZCHTBZSOFUDM-SFHVURJKSA-N 2 2 349.438 2.170 10 0 EEAELP CCN(CCC[NH+](C)C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000344526652 465641516 /nfs/dbraw/zinc/64/15/16/465641516.db2.gz HHJHHFRXTXOUFK-UHFFFAOYSA-N 2 2 337.855 2.471 10 0 EEAELP CC1(C)C[NH+](CC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000579976504 468447665 /nfs/dbraw/zinc/44/76/65/468447665.db2.gz LNYLDHLPCSQCOA-UHFFFAOYSA-N 2 2 339.549 2.196 10 0 EEAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000366858506 465978039 /nfs/dbraw/zinc/97/80/39/465978039.db2.gz PJSNAUYGQRQESS-INIZCTEOSA-N 2 2 326.444 2.465 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000366858506 465978042 /nfs/dbraw/zinc/97/80/42/465978042.db2.gz PJSNAUYGQRQESS-INIZCTEOSA-N 2 2 326.444 2.465 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000346210875 465996400 /nfs/dbraw/zinc/99/64/00/465996400.db2.gz OHFZJFLJHJCMQQ-MGPQQGTHSA-N 2 2 325.403 2.406 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000346210875 465996409 /nfs/dbraw/zinc/99/64/09/465996409.db2.gz OHFZJFLJHJCMQQ-MGPQQGTHSA-N 2 2 325.403 2.406 10 0 EEAELP c1nc(N2CCOCC2)sc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366891645 465999097 /nfs/dbraw/zinc/99/90/97/465999097.db2.gz VOXPLVSISSZFGR-UHFFFAOYSA-N 2 2 336.505 2.086 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@H]21 ZINC000361686313 466203035 /nfs/dbraw/zinc/20/30/35/466203035.db2.gz JFSUDZBZELXWBL-PKOBYXMFSA-N 2 2 340.471 2.039 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@H]21 ZINC000361686313 466203040 /nfs/dbraw/zinc/20/30/40/466203040.db2.gz JFSUDZBZELXWBL-PKOBYXMFSA-N 2 2 340.471 2.039 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@H]21 ZINC000361686313 466203047 /nfs/dbraw/zinc/20/30/47/466203047.db2.gz JFSUDZBZELXWBL-PKOBYXMFSA-N 2 2 340.471 2.039 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCC(c4ccccc4)=N3)CC[C@H]21 ZINC000361686313 466203055 /nfs/dbraw/zinc/20/30/55/466203055.db2.gz JFSUDZBZELXWBL-PKOBYXMFSA-N 2 2 340.471 2.039 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)CC1 ZINC000597235143 468489884 /nfs/dbraw/zinc/48/98/84/468489884.db2.gz DPPWPLMCZCEAGU-DFQSSKMNSA-N 2 2 346.446 2.471 10 0 EEAELP COC[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000423430237 466747602 /nfs/dbraw/zinc/74/76/02/466747602.db2.gz PRBRHWVBELFYNP-MISYRCLQSA-N 3 2 331.504 2.255 10 0 EEAELP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000423430237 466747605 /nfs/dbraw/zinc/74/76/05/466747605.db2.gz PRBRHWVBELFYNP-MISYRCLQSA-N 3 2 331.504 2.255 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H](C)[NH3+] ZINC000423830395 466865217 /nfs/dbraw/zinc/86/52/17/466865217.db2.gz QAJLUSNSNLBEMB-KLWIRTJPSA-N 2 2 339.430 2.446 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[C@@H](C)[NH3+] ZINC000423830395 466865221 /nfs/dbraw/zinc/86/52/21/466865221.db2.gz QAJLUSNSNLBEMB-KLWIRTJPSA-N 2 2 339.430 2.446 10 0 EEAELP CC(C)n1cncc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000424156637 466992034 /nfs/dbraw/zinc/99/20/34/466992034.db2.gz OINNRIKAGQZHJF-UHFFFAOYSA-N 3 2 342.491 2.161 10 0 EEAELP COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000412082363 467000436 /nfs/dbraw/zinc/00/04/36/467000436.db2.gz ROFBYRMRERZMKM-HNNXBMFYSA-N 2 2 331.441 2.210 10 0 EEAELP COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000412082363 467000442 /nfs/dbraw/zinc/00/04/42/467000442.db2.gz ROFBYRMRERZMKM-HNNXBMFYSA-N 2 2 331.441 2.210 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004293 467019929 /nfs/dbraw/zinc/01/99/29/467019929.db2.gz YVHFPAIAPUMSSO-KMUNFCNLSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004293 467019933 /nfs/dbraw/zinc/01/99/33/467019933.db2.gz YVHFPAIAPUMSSO-KMUNFCNLSA-N 2 2 342.846 2.261 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@@H](F)C3)CC2)CC1 ZINC000424620931 467077205 /nfs/dbraw/zinc/07/72/05/467077205.db2.gz ADETVCMYIMHFLU-LSDHHAIUSA-N 2 2 325.472 2.190 10 0 EEAELP c1cn(-c2csc(C[NH+]3CCC(Cn4cncn4)CC3)c2)c[nH+]1 ZINC000428482089 467238879 /nfs/dbraw/zinc/23/88/79/467238879.db2.gz OXTOKNBDUVVQPG-UHFFFAOYSA-N 2 2 328.445 2.438 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451839087 467269838 /nfs/dbraw/zinc/26/98/38/467269838.db2.gz NMLKSZXDUCYABN-DOTOQJQBSA-N 2 2 331.460 2.359 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451839087 467269840 /nfs/dbraw/zinc/26/98/40/467269840.db2.gz NMLKSZXDUCYABN-DOTOQJQBSA-N 2 2 331.460 2.359 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266389 467398723 /nfs/dbraw/zinc/39/87/23/467398723.db2.gz PVEPJUOLWQKHOZ-PMPSAXMXSA-N 2 2 341.496 2.085 10 0 EEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266389 467398726 /nfs/dbraw/zinc/39/87/26/467398726.db2.gz PVEPJUOLWQKHOZ-PMPSAXMXSA-N 2 2 341.496 2.085 10 0 EEAELP COc1nccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000395114336 467435152 /nfs/dbraw/zinc/43/51/52/467435152.db2.gz CERBPPBYJJCEDN-YTQUADARSA-N 2 2 338.455 2.485 10 0 EEAELP COc1nccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000395114336 467435155 /nfs/dbraw/zinc/43/51/55/467435155.db2.gz CERBPPBYJJCEDN-YTQUADARSA-N 2 2 338.455 2.485 10 0 EEAELP CC(C)C[C@H]([NH3+])C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415077006 467483990 /nfs/dbraw/zinc/48/39/90/467483990.db2.gz DJUHRRXQMFNLFB-INIZCTEOSA-N 2 2 332.492 2.053 10 0 EEAELP CC(C)C[C@H]([NH3+])CNC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000415077006 467484000 /nfs/dbraw/zinc/48/40/00/467484000.db2.gz DJUHRRXQMFNLFB-INIZCTEOSA-N 2 2 332.492 2.053 10 0 EEAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449397868 467638895 /nfs/dbraw/zinc/63/88/95/467638895.db2.gz SECXMDQHLUJWGO-HNNXBMFYSA-N 2 2 340.851 2.063 10 0 EEAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449397868 467638899 /nfs/dbraw/zinc/63/88/99/467638899.db2.gz SECXMDQHLUJWGO-HNNXBMFYSA-N 2 2 340.851 2.063 10 0 EEAELP CCOc1cc(C[NH+]2CCN(c3[nH+]ccn3C)CC2)c(F)cc1OC ZINC000529619719 467887337 /nfs/dbraw/zinc/88/73/37/467887337.db2.gz FRZNLYIFACZAHB-UHFFFAOYSA-N 2 2 348.422 2.289 10 0 EEAELP CC[NH+](CC)CC1CCN(C(=O)NCc2c[nH+]ccc2OC)CC1 ZINC000458811092 467903820 /nfs/dbraw/zinc/90/38/20/467903820.db2.gz MOGRUUNFOIBESR-UHFFFAOYSA-N 2 2 334.464 2.354 10 0 EEAELP C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c2[nH+]ccn21 ZINC000514918921 467963094 /nfs/dbraw/zinc/96/30/94/467963094.db2.gz KXVWNDBPHHYTMC-HOCLYGCPSA-N 2 2 331.464 2.406 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515649521 467999739 /nfs/dbraw/zinc/99/97/39/467999739.db2.gz CBCACLZGNGBVHG-OXJNMPFZSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515649521 467999741 /nfs/dbraw/zinc/99/97/41/467999741.db2.gz CBCACLZGNGBVHG-OXJNMPFZSA-N 2 2 327.472 2.430 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000582606399 468566144 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327.472 2.256 10 0 EEAELP [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000560960140 468855226 /nfs/dbraw/zinc/85/52/26/468855226.db2.gz XELJNFRSHWBYKL-OLZOCXBDSA-N 2 2 337.493 2.378 10 0 EEAELP O=C(NCCC1=CC[NH2+]CC1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000561125555 468865190 /nfs/dbraw/zinc/86/51/90/468865190.db2.gz GGCQSRLKOUCGIH-UHFFFAOYSA-N 2 2 333.823 2.097 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150257 469182729 /nfs/dbraw/zinc/18/27/29/469182729.db2.gz LTRHXJHNUWLVCQ-OXJNMPFZSA-N 2 2 345.487 2.290 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150257 469182734 /nfs/dbraw/zinc/18/27/34/469182734.db2.gz LTRHXJHNUWLVCQ-OXJNMPFZSA-N 2 2 345.487 2.290 10 0 EEAELP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000599300020 469198899 /nfs/dbraw/zinc/19/88/99/469198899.db2.gz KYZACYALCPSNNC-IAGOWNOFSA-N 2 2 340.508 2.397 10 0 EEAELP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000599300020 469198907 /nfs/dbraw/zinc/19/89/07/469198907.db2.gz KYZACYALCPSNNC-IAGOWNOFSA-N 2 2 340.508 2.397 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC([NH+](C)C)C2)CC1 ZINC000574052818 469253971 /nfs/dbraw/zinc/25/39/71/469253971.db2.gz CXHKOCUKUUGXNB-UHFFFAOYSA-N 3 2 330.520 2.401 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000599440671 469257299 /nfs/dbraw/zinc/25/72/99/469257299.db2.gz ZCZYQSSPMOUKMW-HNNXBMFYSA-N 2 2 345.443 2.132 10 0 EEAELP C[C@H](c1nccc(N)n1)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574463401 469274232 /nfs/dbraw/zinc/27/42/32/469274232.db2.gz UTTJHUYCLHTYPS-ZIAGYGMSSA-N 2 2 326.448 2.532 10 0 EEAELP C[C@H](c1nccc(N)n1)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574463401 469274235 /nfs/dbraw/zinc/27/42/35/469274235.db2.gz UTTJHUYCLHTYPS-ZIAGYGMSSA-N 2 2 326.448 2.532 10 0 EEAELP Cc1ccc(F)c(NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604209822 469464300 /nfs/dbraw/zinc/46/43/00/469464300.db2.gz SCTPYXDJSBXVDT-AWEZNQCLSA-N 2 2 334.439 2.424 10 0 EEAELP Cc1ccc(F)c(NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604209822 469464303 /nfs/dbraw/zinc/46/43/03/469464303.db2.gz SCTPYXDJSBXVDT-AWEZNQCLSA-N 2 2 334.439 2.424 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@H](CCF)C3)c2cc1C ZINC000626002276 469465120 /nfs/dbraw/zinc/46/51/20/469465120.db2.gz JZMKKXIXRBGYRQ-JKSUJKDBSA-N 2 2 335.423 2.074 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@H](CCF)C3)c2cc1C ZINC000626002276 469465128 /nfs/dbraw/zinc/46/51/28/469465128.db2.gz JZMKKXIXRBGYRQ-JKSUJKDBSA-N 2 2 335.423 2.074 10 0 EEAELP [NH3+]C1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000629389161 469529334 /nfs/dbraw/zinc/52/93/34/469529334.db2.gz YWBIFNYTZMJVGR-UHFFFAOYSA-N 2 2 337.895 2.402 10 0 EEAELP COc1nsc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000623051644 469534572 /nfs/dbraw/zinc/53/45/72/469534572.db2.gz GNWXDKIECXHFAV-DTWKUNHWSA-N 2 2 334.283 2.487 10 0 EEAELP COc1nsc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1Br ZINC000623051644 469534573 /nfs/dbraw/zinc/53/45/73/469534573.db2.gz GNWXDKIECXHFAV-DTWKUNHWSA-N 2 2 334.283 2.487 10 0 EEAELP CC(C)c1ccc(CCNC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629595118 469588649 /nfs/dbraw/zinc/58/86/49/469588649.db2.gz NSVVAPCWVWYVDT-OYRHEFFESA-N 2 2 343.515 2.400 10 0 EEAELP CC(C)c1ccc(CCNC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629595118 469588656 /nfs/dbraw/zinc/58/86/56/469588656.db2.gz NSVVAPCWVWYVDT-OYRHEFFESA-N 2 2 343.515 2.400 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000623399074 469643572 /nfs/dbraw/zinc/64/35/72/469643572.db2.gz XMKJIQJYRUJFNI-INIZCTEOSA-N 2 2 334.460 2.437 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000623399074 469643577 /nfs/dbraw/zinc/64/35/77/469643577.db2.gz XMKJIQJYRUJFNI-INIZCTEOSA-N 2 2 334.460 2.437 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000623399075 469643753 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C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000617766394 469797779 /nfs/dbraw/zinc/79/77/79/469797779.db2.gz IUYBMOOCRKUTCM-ZBFHGGJFSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1C(F)(F)F ZINC000617768081 469798610 /nfs/dbraw/zinc/79/86/10/469798610.db2.gz OEQVLNRKROHTEM-UHFFFAOYSA-N 2 2 331.382 2.319 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1C(F)(F)F ZINC000617768081 469798612 /nfs/dbraw/zinc/79/86/12/469798612.db2.gz OEQVLNRKROHTEM-UHFFFAOYSA-N 2 2 331.382 2.319 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C[NH2+]1 ZINC000627193345 469839739 /nfs/dbraw/zinc/83/97/39/469839739.db2.gz IHOIJBMNJPICLG-HNTCUJBNSA-N 2 2 342.487 2.168 10 0 EEAELP C[N@H+]1CCC[C@H]1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000624270265 469893716 /nfs/dbraw/zinc/89/37/16/469893716.db2.gz CQELSOHKNSKTJI-KSZLIROESA-N 2 2 337.895 2.396 10 0 EEAELP C[NH+]1CCC[C@H]1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000624270265 469893721 /nfs/dbraw/zinc/89/37/21/469893721.db2.gz CQELSOHKNSKTJI-KSZLIROESA-N 2 2 337.895 2.396 10 0 EEAELP C[NH+]1CCC[C@H]1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000624270265 469893724 /nfs/dbraw/zinc/89/37/24/469893724.db2.gz CQELSOHKNSKTJI-KSZLIROESA-N 2 2 337.895 2.396 10 0 EEAELP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839487 470186730 /nfs/dbraw/zinc/18/67/30/470186730.db2.gz HCFMUHKFZIRWTA-MGPQQGTHSA-N 2 2 346.500 2.170 10 0 EEAELP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839487 470186731 /nfs/dbraw/zinc/18/67/31/470186731.db2.gz HCFMUHKFZIRWTA-MGPQQGTHSA-N 2 2 346.500 2.170 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000631842704 470187038 /nfs/dbraw/zinc/18/70/38/470187038.db2.gz DSMGCRZQFUSKTF-NEPJUHHUSA-N 2 2 340.265 2.223 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000631842704 470187039 /nfs/dbraw/zinc/18/70/39/470187039.db2.gz DSMGCRZQFUSKTF-NEPJUHHUSA-N 2 2 340.265 2.223 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888457 470189705 /nfs/dbraw/zinc/18/97/05/470189705.db2.gz ZLJPXQYOTXRHPB-RTBURBONSA-N 2 2 329.488 2.281 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888457 470189706 /nfs/dbraw/zinc/18/97/06/470189706.db2.gz ZLJPXQYOTXRHPB-RTBURBONSA-N 2 2 329.488 2.281 10 0 EEAELP CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634649184 470274879 /nfs/dbraw/zinc/27/48/79/470274879.db2.gz ILAOJWSLVKGVGL-QUCCMNQESA-N 2 2 331.504 2.086 10 0 EEAELP CC(C)(C)N1CC[C@@H]1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649184 470274881 /nfs/dbraw/zinc/27/48/81/470274881.db2.gz ILAOJWSLVKGVGL-QUCCMNQESA-N 2 2 331.504 2.086 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000634714102 470285075 /nfs/dbraw/zinc/28/50/75/470285075.db2.gz GIBIJTPRLSLLGM-NMLACTOBSA-N 2 2 332.488 2.151 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000634714102 470285076 /nfs/dbraw/zinc/28/50/76/470285076.db2.gz GIBIJTPRLSLLGM-NMLACTOBSA-N 2 2 332.488 2.151 10 0 EEAELP C(CC1CC[NH+](Cc2nc(CC3CC3)no2)CC1)C[NH+]1CCOCC1 ZINC000639574835 470561945 /nfs/dbraw/zinc/56/19/45/470561945.db2.gz VCPLBEIEJWEPMR-UHFFFAOYSA-N 2 2 348.491 2.347 10 0 EEAELP COc1ncncc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000647195832 470854805 /nfs/dbraw/zinc/85/48/05/470854805.db2.gz FYUKJQJGTFENFL-AWEZNQCLSA-N 2 2 327.432 2.195 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000650605047 470920279 /nfs/dbraw/zinc/92/02/79/470920279.db2.gz YXGVCFZOIXNDJA-UHFFFAOYSA-N 2 2 331.464 2.154 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000650605047 470920284 /nfs/dbraw/zinc/92/02/84/470920284.db2.gz YXGVCFZOIXNDJA-UHFFFAOYSA-N 2 2 331.464 2.154 10 0 EEAELP CCc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000650876736 470991014 /nfs/dbraw/zinc/99/10/14/470991014.db2.gz FFYWYOGMIMXQSF-GOSISDBHSA-N 2 2 344.503 2.217 10 0 EEAELP CCc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000650876736 470991017 /nfs/dbraw/zinc/99/10/17/470991017.db2.gz FFYWYOGMIMXQSF-GOSISDBHSA-N 2 2 344.503 2.217 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899784 471011209 /nfs/dbraw/zinc/01/12/09/471011209.db2.gz WGTOKCJUOXVYBB-QAPCUYQASA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899784 471011214 /nfs/dbraw/zinc/01/12/14/471011214.db2.gz WGTOKCJUOXVYBB-QAPCUYQASA-N 2 2 344.459 2.048 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901990 471012457 /nfs/dbraw/zinc/01/24/57/471012457.db2.gz YGADMMQVFKHALV-KVSKMBFKSA-N 2 2 345.487 2.164 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647901990 471012459 /nfs/dbraw/zinc/01/24/59/471012459.db2.gz YGADMMQVFKHALV-KVSKMBFKSA-N 2 2 345.487 2.164 10 0 EEAELP Cn1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c(C(F)(F)F)n1 ZINC000657412479 471130535 /nfs/dbraw/zinc/13/05/35/471130535.db2.gz LRSKKWKCDHSVOJ-UHFFFAOYSA-N 2 2 336.321 2.309 10 0 EEAELP CN(Cc1[nH+]ccn1CC(F)(F)F)c1nc(N)[nH+]c2c1CCCC2 ZINC000645155627 471156417 /nfs/dbraw/zinc/15/64/17/471156417.db2.gz RTQIGTOHWQOZML-UHFFFAOYSA-N 2 2 340.353 2.333 10 0 EEAELP Cc1c(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000657524821 471161943 /nfs/dbraw/zinc/16/19/43/471161943.db2.gz SGVZPNTUOBYHOW-KRWDZBQOSA-N 2 2 342.487 2.447 10 0 EEAELP Cc1c(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000657524821 471161948 /nfs/dbraw/zinc/16/19/48/471161948.db2.gz SGVZPNTUOBYHOW-KRWDZBQOSA-N 2 2 342.487 2.447 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000641215599 471246073 /nfs/dbraw/zinc/24/60/73/471246073.db2.gz BANUIZJXEGWASZ-BZUAXINKSA-N 2 2 345.491 2.378 10 0 EEAELP Cc1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1NC(=O)CC[NH+](C)C ZINC000655001892 471246701 /nfs/dbraw/zinc/24/67/01/471246701.db2.gz UPRJROWFMTUIGX-UHFFFAOYSA-N 2 2 346.475 2.166 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C[C@H]1C[NH3+] ZINC000652357503 471278175 /nfs/dbraw/zinc/27/81/75/471278175.db2.gz UCZCSEAIRAGECK-XJKCOSOUSA-N 2 2 337.489 2.031 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(SC)cc2)C[C@H]1C[NH3+] ZINC000652357503 471278177 /nfs/dbraw/zinc/27/81/77/471278177.db2.gz UCZCSEAIRAGECK-XJKCOSOUSA-N 2 2 337.489 2.031 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658342988 471290853 /nfs/dbraw/zinc/29/08/53/471290853.db2.gz PQGBUKAQNNIHLV-WCIQWLHISA-N 2 2 343.515 2.206 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1 ZINC000658342988 471290855 /nfs/dbraw/zinc/29/08/55/471290855.db2.gz PQGBUKAQNNIHLV-WCIQWLHISA-N 2 2 343.515 2.206 10 0 EEAELP CO[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCOC1 ZINC000660481440 471360167 /nfs/dbraw/zinc/36/01/67/471360167.db2.gz NVSYZGYDVZCTHC-SOLBZPMBSA-N 2 2 333.476 2.450 10 0 EEAELP CO[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCOC1 ZINC000660481440 471360170 /nfs/dbraw/zinc/36/01/70/471360170.db2.gz NVSYZGYDVZCTHC-SOLBZPMBSA-N 2 2 333.476 2.450 10 0 EEAELP C[C@H](NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1[nH+]ccn1C ZINC000663443648 471379967 /nfs/dbraw/zinc/37/99/67/471379967.db2.gz HGYBYNDQGSDIQC-WFASDCNBSA-N 2 2 333.411 2.222 10 0 EEAELP CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000663553910 471423046 /nfs/dbraw/zinc/42/30/46/471423046.db2.gz NKXGBXIRJQBTFR-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000663553910 471423052 /nfs/dbraw/zinc/42/30/52/471423052.db2.gz NKXGBXIRJQBTFR-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP O=C(Nc1ccccc1)C1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655756514 471472089 /nfs/dbraw/zinc/47/20/89/471472089.db2.gz UKZOEQJEDJSRRV-QGZVFWFLSA-N 2 2 329.444 2.001 10 0 EEAELP Cn1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1=O ZINC000669694825 471593967 /nfs/dbraw/zinc/59/39/67/471593967.db2.gz XBPAROBHJIZYRB-INIZCTEOSA-N 2 2 326.444 2.298 10 0 EEAELP Cn1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1=O ZINC000669694825 471593970 /nfs/dbraw/zinc/59/39/70/471593970.db2.gz XBPAROBHJIZYRB-INIZCTEOSA-N 2 2 326.444 2.298 10 0 EEAELP CCN(C(=O)NCc1cn2c(cccc2C)[nH+]1)[C@@H]1CC[N@H+](CC)C1 ZINC000664061865 471625178 /nfs/dbraw/zinc/62/51/78/471625178.db2.gz GTSJQMIAZMDRQA-MRXNPFEDSA-N 2 2 329.448 2.268 10 0 EEAELP CCN(C(=O)NCc1cn2c(cccc2C)[nH+]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664061865 471625181 /nfs/dbraw/zinc/62/51/81/471625181.db2.gz GTSJQMIAZMDRQA-MRXNPFEDSA-N 2 2 329.448 2.268 10 0 EEAELP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)c2[nH+]ccn2C)cc1 ZINC000667250085 471708930 /nfs/dbraw/zinc/70/89/30/471708930.db2.gz HHDNBRRYQFNSDQ-CJNGLKHVSA-N 2 2 345.447 2.092 10 0 EEAELP c1c(C[NH+]2CCSCC2)nnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656456351 471722957 /nfs/dbraw/zinc/72/29/57/471722957.db2.gz ZRAHKMQHXARCGW-SFHVURJKSA-N 2 2 343.500 2.274 10 0 EEAELP c1c(C[NH+]2CCSCC2)nnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456351 471722962 /nfs/dbraw/zinc/72/29/62/471722962.db2.gz ZRAHKMQHXARCGW-SFHVURJKSA-N 2 2 343.500 2.274 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[C@@H]1CCc2ccccc21 ZINC000664980120 471917285 /nfs/dbraw/zinc/91/72/85/471917285.db2.gz DWNMVKDMGNDWEJ-SFHVURJKSA-N 2 2 346.519 2.289 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[C@@H]1CCc2ccccc21 ZINC000664980120 471917291 /nfs/dbraw/zinc/91/72/91/471917291.db2.gz DWNMVKDMGNDWEJ-SFHVURJKSA-N 2 2 346.519 2.289 10 0 EEAELP Brc1cccc(C2([NH2+]C[C@H]3C[NH2+]CCO3)CCC2)c1 ZINC000662259319 472046465 /nfs/dbraw/zinc/04/64/65/472046465.db2.gz UYRLOBBASIVHFU-CQSZACIVSA-N 2 2 325.250 2.406 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NCCC2CCCCC2)CCO1 ZINC000662320003 472069346 /nfs/dbraw/zinc/06/93/46/472069346.db2.gz ORBPNFMWNHYRIK-SFHVURJKSA-N 2 2 339.524 2.116 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NCCC2CCCCC2)CCO1 ZINC000662320003 472069351 /nfs/dbraw/zinc/06/93/51/472069351.db2.gz ORBPNFMWNHYRIK-SFHVURJKSA-N 2 2 339.524 2.116 10 0 EEAELP [NH3+][C@@H]1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[C@H]1F ZINC000662748783 472234469 /nfs/dbraw/zinc/23/44/69/472234469.db2.gz GIBJWGNKOXLCSL-USXIJHARSA-N 2 2 348.466 2.391 10 0 EEAELP O[C@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)Cn1cccn1 ZINC000666122481 472313059 /nfs/dbraw/zinc/31/30/59/472313059.db2.gz PXKWMHONSMAVHY-GOSISDBHSA-N 2 2 348.878 2.152 10 0 EEAELP C[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000679044521 485572585 /nfs/dbraw/zinc/57/25/85/485572585.db2.gz OPZOFUXPOSLNSX-FXAWDEMLSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000679044521 485572593 /nfs/dbraw/zinc/57/25/93/485572593.db2.gz OPZOFUXPOSLNSX-FXAWDEMLSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683787304 485639090 /nfs/dbraw/zinc/63/90/90/485639090.db2.gz ZNCUGSUSDWFRKX-CQSZACIVSA-N 2 2 343.431 2.051 10 0 EEAELP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683787304 485639096 /nfs/dbraw/zinc/63/90/96/485639096.db2.gz ZNCUGSUSDWFRKX-CQSZACIVSA-N 2 2 343.431 2.051 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cccc2c1CC[NH2+]C2 ZINC000392916814 485670545 /nfs/dbraw/zinc/67/05/45/485670545.db2.gz BTSHEMVNNGBREC-UHFFFAOYSA-N 2 2 336.439 2.126 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)CC2 ZINC000679842921 485824894 /nfs/dbraw/zinc/82/48/94/485824894.db2.gz HJRYENLJOVQCOB-ZDUSSCGKSA-N 2 2 333.461 2.081 10 0 EEAELP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000684372564 485861063 /nfs/dbraw/zinc/86/10/63/485861063.db2.gz QLIJRGBCYAWTGA-MOPGFXCFSA-N 2 2 348.487 2.445 10 0 EEAELP Cc1oc(C2CC2)nc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671720449 485985083 /nfs/dbraw/zinc/98/50/83/485985083.db2.gz BMTSBJAQOFZROP-MRXNPFEDSA-N 2 2 346.475 2.101 10 0 EEAELP Cc1oc(C2CC2)nc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671720449 485985090 /nfs/dbraw/zinc/98/50/90/485985090.db2.gz BMTSBJAQOFZROP-MRXNPFEDSA-N 2 2 346.475 2.101 10 0 EEAELP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC1(O)CCCCCC1 ZINC000681709043 486310852 /nfs/dbraw/zinc/31/08/52/486310852.db2.gz RGEVRGBZOZRIFC-IBGZPJMESA-N 2 2 334.504 2.496 10 0 EEAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC1(O)CCCCCC1 ZINC000681709043 486310856 /nfs/dbraw/zinc/31/08/56/486310856.db2.gz RGEVRGBZOZRIFC-IBGZPJMESA-N 2 2 334.504 2.496 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)CC1(O)CCCCCC1 ZINC000681709043 486310860 /nfs/dbraw/zinc/31/08/60/486310860.db2.gz RGEVRGBZOZRIFC-IBGZPJMESA-N 2 2 334.504 2.496 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)CC1(O)CCCCCC1 ZINC000681709043 486310863 /nfs/dbraw/zinc/31/08/63/486310863.db2.gz RGEVRGBZOZRIFC-IBGZPJMESA-N 2 2 334.504 2.496 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000173761044 533890412 /nfs/dbraw/zinc/89/04/12/533890412.db2.gz UEAKOVISASXINJ-NVXWUHKLSA-N 2 2 345.491 2.306 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000173761044 533890419 /nfs/dbraw/zinc/89/04/19/533890419.db2.gz UEAKOVISASXINJ-NVXWUHKLSA-N 2 2 345.491 2.306 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000191503796 529042441 /nfs/dbraw/zinc/04/24/41/529042441.db2.gz VCLYSNZENWAFCF-LJQANCHMSA-N 3 2 345.535 2.232 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000191503796 529042443 /nfs/dbraw/zinc/04/24/43/529042443.db2.gz VCLYSNZENWAFCF-LJQANCHMSA-N 3 2 345.535 2.232 10 0 EEAELP CC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1CC(F)F ZINC000153759444 529296686 /nfs/dbraw/zinc/29/66/86/529296686.db2.gz ZHKKFIZSDLTBKF-HNNXBMFYSA-N 2 2 335.402 2.429 10 0 EEAELP CC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1CC(F)F ZINC000153759444 529296687 /nfs/dbraw/zinc/29/66/87/529296687.db2.gz ZHKKFIZSDLTBKF-HNNXBMFYSA-N 2 2 335.402 2.429 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCN(C=O)CC2)c(C)c1 ZINC000774269999 577392691 /nfs/dbraw/zinc/39/26/91/577392691.db2.gz MZJWFETUCUSCNO-LJQANCHMSA-N 2 2 326.444 2.452 10 0 EEAELP c1cn(-c2cc(C[NH2+]Cc3cnn(-c4ccccc4)n3)ccn2)c[nH+]1 ZINC000750082073 577986847 /nfs/dbraw/zinc/98/68/47/577986847.db2.gz BCQFARCZXBMSGP-UHFFFAOYSA-N 2 2 331.383 2.138 10 0 EEAELP COC(=O)c1cc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cn1C ZINC000895111726 683943701 /nfs/dbraw/zinc/94/37/01/683943701.db2.gz IFLUDSUTBNVDJS-WKILWMFISA-N 2 2 342.443 2.483 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]CC[C@@H]2CC(C)(C)CO2)CC1 ZINC000895802809 684730960 /nfs/dbraw/zinc/73/09/60/684730960.db2.gz QCLNTUUTKRZLRJ-MRXNPFEDSA-N 2 2 326.481 2.199 10 0 EEAELP c1cc(CCC[NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)cc2c1OCC2 ZINC000897229584 686293948 /nfs/dbraw/zinc/29/39/48/686293948.db2.gz VKDUADPKWMKBBF-IBGZPJMESA-N 2 2 330.472 2.397 10 0 EEAELP c1cc(CCC[NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)cc2c1OCC2 ZINC000897229584 686293951 /nfs/dbraw/zinc/29/39/51/686293951.db2.gz VKDUADPKWMKBBF-IBGZPJMESA-N 2 2 330.472 2.397 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001485690970 1191892717 /nfs/dbraw/zinc/89/27/17/1191892717.db2.gz BXSAZNONYYLXGK-SHTZXODSSA-N 2 2 347.488 2.031 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001266246319 1176015156 /nfs/dbraw/zinc/01/51/56/1176015156.db2.gz NNLVKWBBRMQJAK-KRWDZBQOSA-N 2 2 336.455 2.033 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001266246319 1176015165 /nfs/dbraw/zinc/01/51/65/1176015165.db2.gz NNLVKWBBRMQJAK-KRWDZBQOSA-N 2 2 336.455 2.033 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001670490095 1176829698 /nfs/dbraw/zinc/82/96/98/1176829698.db2.gz GTWAIMDRDHZQSW-SJORKVTESA-N 2 2 332.492 2.366 10 0 EEAELP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266602263 1176927715 /nfs/dbraw/zinc/92/77/15/1176927715.db2.gz ZJKYREIPBHNGRR-PLFMJXSHSA-N 2 2 330.476 2.429 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001670692535 1177001897 /nfs/dbraw/zinc/00/18/97/1177001897.db2.gz UMLBTNSOAIXWPR-QDLOVBKTSA-N 2 2 346.475 2.431 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001670692535 1177001906 /nfs/dbraw/zinc/00/19/06/1177001906.db2.gz UMLBTNSOAIXWPR-QDLOVBKTSA-N 2 2 346.475 2.431 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266790945 1177434040 /nfs/dbraw/zinc/43/40/40/1177434040.db2.gz REMRENLKWFEZOT-LBPRGKRZSA-N 2 2 345.274 2.490 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266790945 1177434046 /nfs/dbraw/zinc/43/40/46/1177434046.db2.gz REMRENLKWFEZOT-LBPRGKRZSA-N 2 2 345.274 2.490 10 0 EEAELP Cc1cccc(Cl)c1C[NH2+]CCN(C)C(=O)CCn1cc[nH+]c1 ZINC001266794447 1177439781 /nfs/dbraw/zinc/43/97/81/1177439781.db2.gz PWWUTBWHBKPQDH-UHFFFAOYSA-N 2 2 334.851 2.483 10 0 EEAELP O=C(NC[C@H]1CC[N@@H+](CCCCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001691149674 1177641313 /nfs/dbraw/zinc/64/13/13/1177641313.db2.gz ZYEYTKWHJGFFNN-CVEARBPZSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(NC[C@H]1CC[N@H+](CCCCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001691149674 1177641315 /nfs/dbraw/zinc/64/13/15/1177641315.db2.gz ZYEYTKWHJGFFNN-CVEARBPZSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@H]1CCCC[C@H]1OCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691174629 1177671356 /nfs/dbraw/zinc/67/13/56/1177671356.db2.gz ACUPSMUTVYTEBX-LUKYLMHMSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC/C=C\c1ccccc1 ZINC001266986528 1178042166 /nfs/dbraw/zinc/04/21/66/1178042166.db2.gz YSLDNFOJDIULGY-DIEDAUMRSA-N 2 2 326.444 2.160 10 0 EEAELP Cc1[nH+]cc2n1C[C@H](C(=O)N(C)CC[NH2+]C/C(Cl)=C\Cl)CC2 ZINC001267418721 1178984530 /nfs/dbraw/zinc/98/45/30/1178984530.db2.gz CGGYRTNGDDBOOL-GKWYLQRDSA-N 2 2 345.274 2.121 10 0 EEAELP O=C(NC[C@H]([NH2+]CCCF)c1ccccc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267519596 1179246521 /nfs/dbraw/zinc/24/65/21/1179246521.db2.gz FJGNIVDOWKFYGJ-AEFFLSMTSA-N 2 2 344.434 2.252 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001481102376 1179741675 /nfs/dbraw/zinc/74/16/75/1179741675.db2.gz KUOUKOATLSWMER-QFBILLFUSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001481102376 1179741679 /nfs/dbraw/zinc/74/16/79/1179741679.db2.gz KUOUKOATLSWMER-QFBILLFUSA-N 2 2 338.455 2.399 10 0 EEAELP CC[C@H](C)C[N@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001481169426 1179976289 /nfs/dbraw/zinc/97/62/89/1179976289.db2.gz ODXFOKOAJOVEFC-KSSFIOAISA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@H](C)C[N@@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001481169426 1179976293 /nfs/dbraw/zinc/97/62/93/1179976293.db2.gz ODXFOKOAJOVEFC-KSSFIOAISA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@H](C)C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001481169426 1179976297 /nfs/dbraw/zinc/97/62/97/1179976297.db2.gz ODXFOKOAJOVEFC-KSSFIOAISA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@H](C)C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001481169426 1179976303 /nfs/dbraw/zinc/97/63/03/1179976303.db2.gz ODXFOKOAJOVEFC-KSSFIOAISA-N 2 2 347.507 2.417 10 0 EEAELP Cc1oncc1C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001481189230 1180040247 /nfs/dbraw/zinc/04/02/47/1180040247.db2.gz FKCGBVAUPGPSSP-MSOLQXFVSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001481189230 1180040250 /nfs/dbraw/zinc/04/02/50/1180040250.db2.gz FKCGBVAUPGPSSP-MSOLQXFVSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001481189230 1180040252 /nfs/dbraw/zinc/04/02/52/1180040252.db2.gz FKCGBVAUPGPSSP-MSOLQXFVSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001481189230 1180040255 /nfs/dbraw/zinc/04/02/55/1180040255.db2.gz FKCGBVAUPGPSSP-MSOLQXFVSA-N 2 2 346.475 2.081 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267745515 1180377737 /nfs/dbraw/zinc/37/77/37/1180377737.db2.gz TVFIEVDZTOSBLQ-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267745515 1180377742 /nfs/dbraw/zinc/37/77/42/1180377742.db2.gz TVFIEVDZTOSBLQ-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001481249234 1180461425 /nfs/dbraw/zinc/46/14/25/1180461425.db2.gz AJVFFNFLNMIXNL-KRWDZBQOSA-N 2 2 340.471 2.311 10 0 EEAELP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)Cc1c[nH+]c[nH]1 ZINC001481285036 1180841198 /nfs/dbraw/zinc/84/11/98/1180841198.db2.gz PUNVOSXPZMEFLD-MRXNPFEDSA-N 2 2 326.444 2.120 10 0 EEAELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]CC=C(Cl)Cl ZINC001268005154 1180960477 /nfs/dbraw/zinc/96/04/77/1180960477.db2.gz KJRUPWOLLDFXBW-NEPJUHHUSA-N 2 2 333.263 2.495 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001481461577 1181452162 /nfs/dbraw/zinc/45/21/62/1181452162.db2.gz FCWQWYBGLKVGHL-AWEZNQCLSA-N 2 2 348.397 2.190 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001481461577 1181452167 /nfs/dbraw/zinc/45/21/67/1181452167.db2.gz FCWQWYBGLKVGHL-AWEZNQCLSA-N 2 2 348.397 2.190 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)C[NH2+]CCc1cccs1 ZINC001268088791 1181708063 /nfs/dbraw/zinc/70/80/63/1181708063.db2.gz CYJQXBHEHFQMSN-ZIAGYGMSSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)C[NH2+]CCc1cccs1 ZINC001268088791 1181708069 /nfs/dbraw/zinc/70/80/69/1181708069.db2.gz CYJQXBHEHFQMSN-ZIAGYGMSSA-N 2 2 334.489 2.329 10 0 EEAELP COCCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001268129768 1181781049 /nfs/dbraw/zinc/78/10/49/1181781049.db2.gz GKJWBZXJOVCCMG-RHSMWYFYSA-N 2 2 333.476 2.484 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268379562 1182404179 /nfs/dbraw/zinc/40/41/79/1182404179.db2.gz SNFLSKKUYGPNBB-ZBFHGGJFSA-N 2 2 344.434 2.269 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1(C[NH2+]Cc2cncc(F)c2)CCCC1 ZINC001481898346 1182910746 /nfs/dbraw/zinc/91/07/46/1182910746.db2.gz VVGRDIFMWBYPHX-UHFFFAOYSA-N 2 2 345.422 2.095 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1(C[NH2+]Cc2cncc(F)c2)CCCC1 ZINC001481898346 1182910750 /nfs/dbraw/zinc/91/07/50/1182910750.db2.gz VVGRDIFMWBYPHX-UHFFFAOYSA-N 2 2 345.422 2.095 10 0 EEAELP Cc1nc(C[NH2+]CC2(NC(=O)CCCn3cc[nH+]c3)CCCC2)co1 ZINC001481912782 1182937080 /nfs/dbraw/zinc/93/70/80/1182937080.db2.gz GYIOSCWKIZJKMS-UHFFFAOYSA-N 2 2 345.447 2.179 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001268558821 1183253710 /nfs/dbraw/zinc/25/37/10/1183253710.db2.gz ABEINYJZORNIJR-DCKQQPRJSA-N 2 2 338.455 2.216 10 0 EEAELP Cc1ncc(C[NH2+]C/C=C\CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001268596608 1183448182 /nfs/dbraw/zinc/44/81/82/1183448182.db2.gz JVKKFRROBGNTSX-SCOBNMCVSA-N 2 2 333.461 2.061 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)C1 ZINC001268613855 1183523115 /nfs/dbraw/zinc/52/31/15/1183523115.db2.gz QQTKYIOOSLNBRW-LLYBFZRZSA-N 2 2 348.491 2.076 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)C1 ZINC001268613855 1183523116 /nfs/dbraw/zinc/52/31/16/1183523116.db2.gz QQTKYIOOSLNBRW-LLYBFZRZSA-N 2 2 348.491 2.076 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+]2CCCCC2)o1 ZINC001268630668 1183553308 /nfs/dbraw/zinc/55/33/08/1183553308.db2.gz OKXVWOIDISCTIL-DWTRPJMMSA-N 2 2 334.464 2.182 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268663088 1183591985 /nfs/dbraw/zinc/59/19/85/1183591985.db2.gz FGTFZCLFHWKCPS-CHWSQXEVSA-N 2 2 335.839 2.177 10 0 EEAELP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001268742138 1183659564 /nfs/dbraw/zinc/65/95/64/1183659564.db2.gz DILGFIZAMVGKSY-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001268742138 1183659569 /nfs/dbraw/zinc/65/95/69/1183659569.db2.gz DILGFIZAMVGKSY-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001268742138 1183659574 /nfs/dbraw/zinc/65/95/74/1183659574.db2.gz DILGFIZAMVGKSY-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001268742138 1183659584 /nfs/dbraw/zinc/65/95/84/1183659584.db2.gz DILGFIZAMVGKSY-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C/Cl)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268803614 1183721935 /nfs/dbraw/zinc/72/19/35/1183721935.db2.gz NAVYOIFZLSBMMC-YGYTWAPGSA-N 2 2 345.274 2.203 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1CC ZINC001269173993 1184029740 /nfs/dbraw/zinc/02/97/40/1184029740.db2.gz HHHWYGQJVLIHLZ-HOTGVXAUSA-N 2 2 344.459 2.201 10 0 EEAELP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482446161 1185764606 /nfs/dbraw/zinc/76/46/06/1185764606.db2.gz PYBDFXYKYFLUGK-ROUUACIJSA-N 2 2 339.524 2.258 10 0 EEAELP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482446161 1185764610 /nfs/dbraw/zinc/76/46/10/1185764610.db2.gz PYBDFXYKYFLUGK-ROUUACIJSA-N 2 2 339.524 2.258 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001482463199 1185934709 /nfs/dbraw/zinc/93/47/09/1185934709.db2.gz RONDHJSMSRQHNF-DLBZAZTESA-N 2 2 348.491 2.191 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001271682891 1186373216 /nfs/dbraw/zinc/37/32/16/1186373216.db2.gz GYZDMZMISWNZLC-AEFFLSMTSA-N 2 2 340.471 2.269 10 0 EEAELP CC(C)[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1cccc(Cl)n1 ZINC001271844161 1186544751 /nfs/dbraw/zinc/54/47/51/1186544751.db2.gz FFEPUDRXVXRDAD-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1cccc(Cl)n1 ZINC001271844161 1186544753 /nfs/dbraw/zinc/54/47/53/1186544753.db2.gz FFEPUDRXVXRDAD-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP CC[N@H+](CCNC(=O)NCc1cc[nH+]c(NC)c1)CCC(F)(F)F ZINC001649291365 1193496624 /nfs/dbraw/zinc/49/66/24/1193496624.db2.gz XZERWHGOAYHEQS-UHFFFAOYSA-N 2 2 347.385 2.197 10 0 EEAELP CC[N@@H+](CCNC(=O)NCc1cc[nH+]c(NC)c1)CCC(F)(F)F ZINC001649291365 1193496626 /nfs/dbraw/zinc/49/66/26/1193496626.db2.gz XZERWHGOAYHEQS-UHFFFAOYSA-N 2 2 347.385 2.197 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001482690919 1187665076 /nfs/dbraw/zinc/66/50/76/1187665076.db2.gz ATHSSJGICXHIPG-IAGOWNOFSA-N 2 2 326.444 2.069 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001482845988 1187764979 /nfs/dbraw/zinc/76/49/79/1187764979.db2.gz QNURMQYZYVXCAW-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP COCc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC001691556823 1188262290 /nfs/dbraw/zinc/26/22/90/1188262290.db2.gz YVSWGRSKSBGSQQ-UHFFFAOYSA-N 2 2 344.459 2.082 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001691573892 1188271713 /nfs/dbraw/zinc/27/17/13/1188271713.db2.gz GZPDMGHMXYSOSP-KRWDZBQOSA-N 2 2 340.471 2.429 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001483079415 1188440264 /nfs/dbraw/zinc/44/02/64/1188440264.db2.gz XCDNROSTGOVYPH-OWOJBTEDSA-N 2 2 336.798 2.207 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483129205 1188611533 /nfs/dbraw/zinc/61/15/33/1188611533.db2.gz AAJZTULQFWSABP-RDTXWAMCSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001483129205 1188611536 /nfs/dbraw/zinc/61/15/36/1188611536.db2.gz AAJZTULQFWSABP-RDTXWAMCSA-N 2 2 347.507 2.465 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001483141581 1188709085 /nfs/dbraw/zinc/70/90/85/1188709085.db2.gz RGSPSRWUHNXVKX-GFCCVEGCSA-N 2 2 347.463 2.080 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC001409478660 1189817515 /nfs/dbraw/zinc/81/75/15/1189817515.db2.gz VDYMBZGIJFOEKK-VXGBXAGGSA-N 2 2 338.814 2.359 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001485949302 1193645639 /nfs/dbraw/zinc/64/56/39/1193645639.db2.gz OCQYYTKYBNAMDE-LBPRGKRZSA-N 2 2 347.463 2.317 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001483273685 1190298682 /nfs/dbraw/zinc/29/86/82/1190298682.db2.gz TXMVEIXANJGGNO-GJZGRUSLSA-N 2 2 340.471 2.372 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001483273685 1190298691 /nfs/dbraw/zinc/29/86/91/1190298691.db2.gz TXMVEIXANJGGNO-GJZGRUSLSA-N 2 2 340.471 2.372 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1coc(-c2ccccc2)n1)NC(=O)CC[NH+](C)C ZINC001483380702 1190424507 /nfs/dbraw/zinc/42/45/07/1190424507.db2.gz MQQFMFRPYARACF-HNNXBMFYSA-N 2 2 344.459 2.230 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1coc(-c2ccccc2)n1)NC(=O)CC[NH+](C)C ZINC001483380702 1190424508 /nfs/dbraw/zinc/42/45/08/1190424508.db2.gz MQQFMFRPYARACF-HNNXBMFYSA-N 2 2 344.459 2.230 10 0 EEAELP C[C@@H](CC(=O)NCC1([NH2+]Cc2cccc(Cl)n2)CC1)n1cc[nH+]c1 ZINC001670863980 1190597708 /nfs/dbraw/zinc/59/77/08/1190597708.db2.gz JEWWGRWPAKOZAP-ZDUSSCGKSA-N 2 2 347.850 2.321 10 0 EEAELP C[C@H](CC(=O)NCC1([NH2+]Cc2cccc(Cl)n2)CC1)n1cc[nH+]c1 ZINC001670863979 1190597779 /nfs/dbraw/zinc/59/77/79/1190597779.db2.gz JEWWGRWPAKOZAP-CYBMUJFWSA-N 2 2 347.850 2.321 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NCC1([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001483797147 1191039992 /nfs/dbraw/zinc/03/99/92/1191039992.db2.gz NLUWXYLMWSIUET-UHFFFAOYSA-N 2 2 330.476 2.482 10 0 EEAELP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001483868888 1191099196 /nfs/dbraw/zinc/09/91/96/1191099196.db2.gz WWVPBHYNKYMTQF-AWEZNQCLSA-N 2 2 335.414 2.346 10 0 EEAELP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001483868888 1191099198 /nfs/dbraw/zinc/09/91/98/1191099198.db2.gz WWVPBHYNKYMTQF-AWEZNQCLSA-N 2 2 335.414 2.346 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001484542827 1191403014 /nfs/dbraw/zinc/40/30/14/1191403014.db2.gz GPYPFEWGXCTMNE-AWEZNQCLSA-N 2 2 330.407 2.120 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1)c1c[nH+]c[nH]1 ZINC001484547933 1191408745 /nfs/dbraw/zinc/40/87/45/1191408745.db2.gz UYIPWGZWGSKVNF-OAHLLOKOSA-N 2 2 341.459 2.111 10 0 EEAELP CCC1([NH2+]CC[C@@H]2CCCCO2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001484817800 1191538754 /nfs/dbraw/zinc/53/87/54/1191538754.db2.gz PSWYSDKCUPXSHW-INIZCTEOSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001485040605 1191628279 /nfs/dbraw/zinc/62/82/79/1191628279.db2.gz PZEGBKGIVAPFOX-INIZCTEOSA-N 2 2 344.434 2.305 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485164754 1191675762 /nfs/dbraw/zinc/67/57/62/1191675762.db2.gz UGDMYLQOGVKJDO-QWRGUYRKSA-N 2 2 327.388 2.156 10 0 EEAELP C[C@@H]([NH2+]Cc1cscn1)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001485232514 1191700084 /nfs/dbraw/zinc/70/00/84/1191700084.db2.gz UBTPAXFVAAFAPK-CABCVRRESA-N 2 2 346.500 2.258 10 0 EEAELP C[C@@H]([NH2+]Cc1cscn1)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485232514 1191700085 /nfs/dbraw/zinc/70/00/85/1191700085.db2.gz UBTPAXFVAAFAPK-CABCVRRESA-N 2 2 346.500 2.258 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)Cc1ncccc1C)C(C)C ZINC001486379500 1193889791 /nfs/dbraw/zinc/88/97/91/1193889791.db2.gz MXWZVTGCCDYKAA-UHFFFAOYSA-N 2 2 343.475 2.333 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@@H+](C)Cc1ncccc1C)C(C)C ZINC001486379500 1193889799 /nfs/dbraw/zinc/88/97/99/1193889799.db2.gz MXWZVTGCCDYKAA-UHFFFAOYSA-N 2 2 343.475 2.333 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001409976870 1196101264 /nfs/dbraw/zinc/10/12/64/1196101264.db2.gz RMXRKJQAZDIWFA-AWEZNQCLSA-N 2 2 344.459 2.105 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001409976870 1196101268 /nfs/dbraw/zinc/10/12/68/1196101268.db2.gz RMXRKJQAZDIWFA-AWEZNQCLSA-N 2 2 344.459 2.105 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)CCn2cc[nH+]c2)n1 ZINC001410422484 1197852273 /nfs/dbraw/zinc/85/22/73/1197852273.db2.gz KZBRLUJMJWXQDA-MRXNPFEDSA-N 2 2 343.475 2.428 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)n1 ZINC001410438631 1197898182 /nfs/dbraw/zinc/89/81/82/1197898182.db2.gz ARROWOCYCOQHCW-CVEARBPZSA-N 2 2 343.475 2.483 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151394 1198059207 /nfs/dbraw/zinc/05/92/07/1198059207.db2.gz KMBYDKWUCSVOQK-BZPMIXESSA-N 2 2 335.414 2.235 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872151394 1198059214 /nfs/dbraw/zinc/05/92/14/1198059214.db2.gz KMBYDKWUCSVOQK-BZPMIXESSA-N 2 2 335.414 2.235 10 0 EEAELP C[C@H](CC(=O)N1CCO[C@@H](C[NH2+]CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001273324213 1198175110 /nfs/dbraw/zinc/17/51/10/1198175110.db2.gz XVXUFKZXDPMRQW-AEFFLSMTSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)Cn1cc[nH+]c1 ZINC000865434079 1198215118 /nfs/dbraw/zinc/21/51/18/1198215118.db2.gz VYQJHTVPYNQIBO-ZDUSSCGKSA-N 2 2 346.435 2.446 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H](CO)[NH2+]CC2CC3(CCC3)C2)c(C)[nH+]1 ZINC001410715513 1198325654 /nfs/dbraw/zinc/32/56/54/1198325654.db2.gz ZTSOZQZTQODGIF-KRWDZBQOSA-N 2 2 345.487 2.267 10 0 EEAELP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]C/C(Cl)=C/Cl ZINC001410970219 1198648146 /nfs/dbraw/zinc/64/81/46/1198648146.db2.gz DJGDDSSJHMNXAW-OTAKNEKHSA-N 2 2 345.274 2.419 10 0 EEAELP Cc1cnccc1/C=C\C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870664912 1200800732 /nfs/dbraw/zinc/80/07/32/1200800732.db2.gz DJMGXRKBULSYCR-ARJAWSKDSA-N 2 2 337.427 2.189 10 0 EEAELP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CCCCCC[NH3+])C2)c1 ZINC000870977980 1200986590 /nfs/dbraw/zinc/98/65/90/1200986590.db2.gz NUKQXNHPHWWMPS-LJQANCHMSA-N 2 2 347.503 2.221 10 0 EEAELP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CCCCCC[NH3+])C2)c1 ZINC000870977980 1200986597 /nfs/dbraw/zinc/98/65/97/1200986597.db2.gz NUKQXNHPHWWMPS-LJQANCHMSA-N 2 2 347.503 2.221 10 0 EEAELP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])c2c(F)cccc2F)C1 ZINC000870994961 1200997304 /nfs/dbraw/zinc/99/73/04/1200997304.db2.gz ZIIMBCYKHUHEOJ-WMLDXEAASA-N 2 2 325.403 2.188 10 0 EEAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCN1CCCC1=O)C2 ZINC000880020648 1201349853 /nfs/dbraw/zinc/34/98/53/1201349853.db2.gz MMQMQHNDZSTMNL-AZUAARDMSA-N 2 2 327.472 2.063 10 0 EEAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@H+](CCN1CCCC1=O)C2 ZINC000880020648 1201349857 /nfs/dbraw/zinc/34/98/57/1201349857.db2.gz MMQMQHNDZSTMNL-AZUAARDMSA-N 2 2 327.472 2.063 10 0 EEAELP C[C@]12C[NH+](CCN3CCCC3=O)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880020648 1201349861 /nfs/dbraw/zinc/34/98/61/1201349861.db2.gz MMQMQHNDZSTMNL-AZUAARDMSA-N 2 2 327.472 2.063 10 0 EEAELP C[C@]12C[NH+](CCN3CCCC3=O)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000880020648 1201349864 /nfs/dbraw/zinc/34/98/64/1201349864.db2.gz MMQMQHNDZSTMNL-AZUAARDMSA-N 2 2 327.472 2.063 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3F)CC2)CC1 ZINC000868210031 1201764787 /nfs/dbraw/zinc/76/47/87/1201764787.db2.gz ARVJDAVOMSFFMB-DLBZAZTESA-N 2 2 340.487 2.125 10 0 EEAELP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000122310203 1201884602 /nfs/dbraw/zinc/88/46/02/1201884602.db2.gz VDTASLGUFJAULI-HRCADAONSA-N 2 2 341.496 2.085 10 0 EEAELP C[C@@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000122310203 1201884606 /nfs/dbraw/zinc/88/46/06/1201884606.db2.gz VDTASLGUFJAULI-HRCADAONSA-N 2 2 341.496 2.085 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001275526463 1205396376 /nfs/dbraw/zinc/39/63/76/1205396376.db2.gz GFVWYIAMUIXEJN-STQMWFEESA-N 2 2 325.416 2.117 10 0 EEAELP CC[N@@H+]1CC[C@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001411605491 1205448427 /nfs/dbraw/zinc/44/84/27/1205448427.db2.gz XISXLFSCMZSVMU-DLBZAZTESA-N 2 2 331.460 2.043 10 0 EEAELP CC[N@H+]1CC[C@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001411605491 1205448429 /nfs/dbraw/zinc/44/84/29/1205448429.db2.gz XISXLFSCMZSVMU-DLBZAZTESA-N 2 2 331.460 2.043 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001275944182 1205597211 /nfs/dbraw/zinc/59/72/11/1205597211.db2.gz BQPWCKRWCUAWOE-ZDUSSCGKSA-N 2 2 325.416 2.070 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001275944182 1205597213 /nfs/dbraw/zinc/59/72/13/1205597213.db2.gz BQPWCKRWCUAWOE-ZDUSSCGKSA-N 2 2 325.416 2.070 10 0 EEAELP Cc1ccc(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)c(N2CCCC2)[nH+]1 ZINC001412006897 1205622472 /nfs/dbraw/zinc/62/24/72/1205622472.db2.gz VVTFNVJVRPBXJJ-MRXNPFEDSA-N 2 2 334.439 2.040 10 0 EEAELP Cc1ccc(CNC(=O)CC[N@H+]2CC[C@@H](F)C2)c(N2CCCC2)[nH+]1 ZINC001412006897 1205622473 /nfs/dbraw/zinc/62/24/73/1205622473.db2.gz VVTFNVJVRPBXJJ-MRXNPFEDSA-N 2 2 334.439 2.040 10 0 EEAELP CC(C)C[NH+]1CCC(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC001412084163 1205645538 /nfs/dbraw/zinc/64/55/38/1205645538.db2.gz FEGVGUHFUACCKP-GOSISDBHSA-N 2 2 331.460 2.429 10 0 EEAELP CN(CCC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001276083276 1205766219 /nfs/dbraw/zinc/76/62/19/1205766219.db2.gz DZRWRKXTYKQASN-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000924795009 1206033058 /nfs/dbraw/zinc/03/30/58/1206033058.db2.gz IXTMSFVVXYZQIO-YRWFTTLQSA-N 2 2 348.487 2.158 10 0 EEAELP c1csc([C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)N2CCOCC2)c1 ZINC000925504495 1206120556 /nfs/dbraw/zinc/12/05/56/1206120556.db2.gz RYLCEIBDVMWBNI-RDJZCZTQSA-N 2 2 335.517 2.386 10 0 EEAELP O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925551551 1206126645 /nfs/dbraw/zinc/12/66/45/1206126645.db2.gz HLJJMWKIPONLQG-ZWKOTPCHSA-N 2 2 327.472 2.094 10 0 EEAELP CC(C)n1cc2cc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)ccc2n1 ZINC000926048191 1206186339 /nfs/dbraw/zinc/18/63/39/1206186339.db2.gz FKIUAVZHJIFHBQ-UHFFFAOYSA-N 2 2 344.463 2.162 10 0 EEAELP CC(C)(C)C[C@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C(F)(F)F ZINC000926093964 1206190928 /nfs/dbraw/zinc/19/09/28/1206190928.db2.gz VTHRKGXYSOEDMQ-LBPRGKRZSA-N 2 2 338.418 2.076 10 0 EEAELP CSc1c(F)cccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926173113 1206201451 /nfs/dbraw/zinc/20/14/51/1206201451.db2.gz RJCQSPSNLJQCHR-UHFFFAOYSA-N 2 2 326.441 2.092 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000930127521 1206536023 /nfs/dbraw/zinc/53/60/23/1206536023.db2.gz WMQXIYOLQZSHPK-INIZCTEOSA-N 2 2 328.416 2.126 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000930127521 1206536024 /nfs/dbraw/zinc/53/60/24/1206536024.db2.gz WMQXIYOLQZSHPK-INIZCTEOSA-N 2 2 328.416 2.126 10 0 EEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](CCN1CCOCC1)C2 ZINC000931214247 1206616305 /nfs/dbraw/zinc/61/63/05/1206616305.db2.gz INLIEBLGVMANID-OYRHEFFESA-N 2 2 343.515 2.163 10 0 EEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCN1CCOCC1)C2 ZINC000931214247 1206616306 /nfs/dbraw/zinc/61/63/06/1206616306.db2.gz INLIEBLGVMANID-OYRHEFFESA-N 2 2 343.515 2.163 10 0 EEAELP C[C@@]12C[NH+](CCN3CCOCC3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000931214247 1206616307 /nfs/dbraw/zinc/61/63/07/1206616307.db2.gz INLIEBLGVMANID-OYRHEFFESA-N 2 2 343.515 2.163 10 0 EEAELP C[C@@]12C[NH+](CCN3CCOCC3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000931214247 1206616308 /nfs/dbraw/zinc/61/63/08/1206616308.db2.gz INLIEBLGVMANID-OYRHEFFESA-N 2 2 343.515 2.163 10 0 EEAELP CC(C)(C)OC(=O)CCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931287586 1206622033 /nfs/dbraw/zinc/62/20/33/1206622033.db2.gz SCCOIAQDXQRAKE-UHFFFAOYSA-N 2 2 326.481 2.295 10 0 EEAELP CC(C)(C)OC(=O)CCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931287586 1206622034 /nfs/dbraw/zinc/62/20/34/1206622034.db2.gz SCCOIAQDXQRAKE-UHFFFAOYSA-N 2 2 326.481 2.295 10 0 EEAELP C[NH+](C)Cc1ccc(C[NH2+]CCn2cc[nH+]c2)c2c1OC(F)(F)O2 ZINC000864094276 1210472607 /nfs/dbraw/zinc/47/26/07/1210472607.db2.gz OIBKZAJEKRJTDU-UHFFFAOYSA-N 3 2 338.358 2.056 10 0 EEAELP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1)C1CC1 ZINC001413090215 1234055320 /nfs/dbraw/zinc/05/53/20/1234055320.db2.gz FBTNKRAPWWJLQY-CQSZACIVSA-N 2 2 330.476 2.389 10 0 EEAELP O=C(CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000902783157 1238522039 /nfs/dbraw/zinc/52/20/39/1238522039.db2.gz AHJHTNBFSJOABK-BCDXTJNWSA-N 2 2 342.487 2.289 10 0 EEAELP C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902973178 1239242894 /nfs/dbraw/zinc/24/28/94/1239242894.db2.gz OSEPURGHCZZBHU-INIZCTEOSA-N 2 2 326.444 2.388 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1COc2ccccc2C1 ZINC000903053803 1239630747 /nfs/dbraw/zinc/63/07/47/1239630747.db2.gz CPYHJSHIVGFBHJ-KVSKMBFKSA-N 2 2 330.472 2.469 10 0 EEAELP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cs1 ZINC001491237004 1258827021 /nfs/dbraw/zinc/82/70/21/1258827021.db2.gz DBDPTNVXMCGYTI-MRXNPFEDSA-N 2 2 332.473 2.424 10 0 EEAELP Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cs1 ZINC001491237004 1258827025 /nfs/dbraw/zinc/82/70/25/1258827025.db2.gz DBDPTNVXMCGYTI-MRXNPFEDSA-N 2 2 332.473 2.424 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)c2cccc3[nH+]ccn32)c(C)n1 ZINC001491525269 1259175799 /nfs/dbraw/zinc/17/57/99/1259175799.db2.gz MPSHEWMGAYYHKP-AWEZNQCLSA-N 2 2 337.427 2.254 10 0 EEAELP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001273467915 1278559062 /nfs/dbraw/zinc/55/90/62/1278559062.db2.gz OOCAIXFNIDFUTQ-GFCCVEGCSA-N 2 2 345.274 2.203 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001277866182 1304973924 /nfs/dbraw/zinc/97/39/24/1304973924.db2.gz QNOSRCKUJPKCQW-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001277866182 1304973926 /nfs/dbraw/zinc/97/39/26/1304973926.db2.gz QNOSRCKUJPKCQW-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862275488 1295778617 /nfs/dbraw/zinc/77/86/17/1295778617.db2.gz VRYLXAYOOBNWNE-UONOGXRCSA-N 2 2 327.469 2.042 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C ZINC000862275488 1295778624 /nfs/dbraw/zinc/77/86/24/1295778624.db2.gz VRYLXAYOOBNWNE-UONOGXRCSA-N 2 2 327.469 2.042 10 0 EEAELP O=C1COc2ccccc2CN1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926883640 1296951900 /nfs/dbraw/zinc/95/19/00/1296951900.db2.gz NYGUWAJESJREFU-MSOLQXFVSA-N 2 2 343.471 2.014 10 0 EEAELP O=C1COc2ccccc2CN1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926883640 1296951906 /nfs/dbraw/zinc/95/19/06/1296951906.db2.gz NYGUWAJESJREFU-MSOLQXFVSA-N 2 2 343.471 2.014 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC001276839590 1299867008 /nfs/dbraw/zinc/86/70/08/1299867008.db2.gz KQDSZLUXUUCRKS-OWCLPIDISA-N 2 2 336.455 2.309 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC001276839590 1299867024 /nfs/dbraw/zinc/86/70/24/1299867024.db2.gz KQDSZLUXUUCRKS-OWCLPIDISA-N 2 2 336.455 2.309 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1C)[C@@H](C[NH2+]CCc1ccccc1)C1CC1 ZINC001277718719 1304255688 /nfs/dbraw/zinc/25/56/88/1304255688.db2.gz WKYDXIRADCIKHW-IBGZPJMESA-N 2 2 340.471 2.032 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](CO)[NH2+]CCCC(C)(C)C)ccn12 ZINC001278077673 1305900236 /nfs/dbraw/zinc/90/02/36/1305900236.db2.gz MWUYZQZIISILGT-INIZCTEOSA-N 2 2 346.475 2.149 10 0 EEAELP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001263989720 1322579270 /nfs/dbraw/zinc/57/92/70/1322579270.db2.gz GXGSWVLKWNYCPW-WBVHZDCISA-N 2 2 332.492 2.389 10 0 EEAELP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001264018902 1322585902 /nfs/dbraw/zinc/58/59/02/1322585902.db2.gz KOKJQKJOVYSPMH-IXDOHACOSA-N 2 2 332.492 2.462 10 0 EEAELP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265615184 1323268842 /nfs/dbraw/zinc/26/88/42/1323268842.db2.gz BSWCEULHKJDWTR-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001266236086 1323820880 /nfs/dbraw/zinc/82/08/80/1323820880.db2.gz CFSZFFKJEIEOHR-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001266236086 1323820886 /nfs/dbraw/zinc/82/08/86/1323820886.db2.gz CFSZFFKJEIEOHR-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP C[C@@H]([NH2+]CCCF)c1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001280354757 1324169435 /nfs/dbraw/zinc/16/94/35/1324169435.db2.gz UDNUQYLICRTZTO-CQSZACIVSA-N 2 2 332.423 2.289 10 0 EEAELP Cc1conc1C[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001276624624 1324857966 /nfs/dbraw/zinc/85/79/66/1324857966.db2.gz LEVNEFUEAMBIGZ-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1conc1C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001276624624 1324857974 /nfs/dbraw/zinc/85/79/74/1324857974.db2.gz LEVNEFUEAMBIGZ-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nsc2ccccc12 ZINC001281768713 1325443831 /nfs/dbraw/zinc/44/38/31/1325443831.db2.gz SBYWNYXVAZGMSH-ZDUSSCGKSA-N 2 2 343.456 2.177 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001284067405 1326390886 /nfs/dbraw/zinc/39/08/86/1326390886.db2.gz BDJGEOROAZPRMZ-HKUYNNGSSA-N 2 2 348.491 2.059 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001284067405 1326390889 /nfs/dbraw/zinc/39/08/89/1326390889.db2.gz BDJGEOROAZPRMZ-HKUYNNGSSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1cc(C)cc(C[N@H+]2CC=C(CNC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001284994564 1326817574 /nfs/dbraw/zinc/81/75/74/1326817574.db2.gz IHKIOUABSVTVTE-UHFFFAOYSA-N 2 2 338.455 2.448 10 0 EEAELP Cc1cc(C)cc(C[N@@H+]2CC=C(CNC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001284994564 1326817576 /nfs/dbraw/zinc/81/75/76/1326817576.db2.gz IHKIOUABSVTVTE-UHFFFAOYSA-N 2 2 338.455 2.448 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC[C@H]1CCOC1 ZINC001316894399 1331960882 /nfs/dbraw/zinc/96/08/82/1331960882.db2.gz DXLLECKUIOQBPL-HNNXBMFYSA-N 2 2 344.459 2.431 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC[C@H]1CCOC1 ZINC001316894399 1331960886 /nfs/dbraw/zinc/96/08/86/1331960886.db2.gz DXLLECKUIOQBPL-HNNXBMFYSA-N 2 2 344.459 2.431 10 0 EEAELP CN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317598359 1332318255 /nfs/dbraw/zinc/31/82/55/1332318255.db2.gz QQAYEGYIAYQDLC-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP CN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317598359 1332318257 /nfs/dbraw/zinc/31/82/57/1332318257.db2.gz QQAYEGYIAYQDLC-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]C[C@H]2CC[C@H](C)O2)CC1 ZINC001318927589 1332625121 /nfs/dbraw/zinc/62/51/21/1332625121.db2.gz AAQZAZDQQBFIFW-WMLDXEAASA-N 2 2 348.491 2.046 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001319466356 1332706749 /nfs/dbraw/zinc/70/67/49/1332706749.db2.gz KHPFGJKQMZVBDW-YXMGTMDOSA-N 2 2 326.444 2.492 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001319466356 1332706752 /nfs/dbraw/zinc/70/67/52/1332706752.db2.gz 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CCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]cn1C)C2 ZINC001673649919 1356726429 /nfs/dbraw/zinc/72/64/29/1356726429.db2.gz BVRHMTIBZWMJIM-IBGZPJMESA-N 2 2 332.492 2.467 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@H]1c2ccccc2CC[N@H+]1CCF ZINC001674271235 1356809561 /nfs/dbraw/zinc/80/95/61/1356809561.db2.gz DDWYODSIIGYUQF-SFHVURJKSA-N 2 2 335.467 2.403 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1CCF ZINC001674271235 1356809564 /nfs/dbraw/zinc/80/95/64/1356809564.db2.gz DDWYODSIIGYUQF-SFHVURJKSA-N 2 2 335.467 2.403 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001674463278 1356838801 /nfs/dbraw/zinc/83/88/01/1356838801.db2.gz JHOLQFGAIGLNLS-DLBZAZTESA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001674463278 1356838807 /nfs/dbraw/zinc/83/88/07/1356838807.db2.gz JHOLQFGAIGLNLS-DLBZAZTESA-N 2 2 330.476 2.335 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1CC(C[NH2+]CCCc2ccccc2)C1 ZINC001674599926 1356862474 /nfs/dbraw/zinc/86/24/74/1356862474.db2.gz UKOCQXRHHORFSX-UHFFFAOYSA-N 2 2 340.471 2.080 10 0 EEAELP C[C@H](CCC[NH2+]C[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001675925618 1357071329 /nfs/dbraw/zinc/07/13/29/1357071329.db2.gz OVRFRRRLLSXPHQ-KGLIPLIRSA-N 2 2 330.432 2.088 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)Cn1cc[nH+]c1 ZINC001699556367 1405397051 /nfs/dbraw/zinc/39/70/51/1405397051.db2.gz YUORVJADMLWEMJ-QGZVFWFLSA-N 2 2 330.407 2.148 10 0 EEAELP C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001699946739 1405596911 /nfs/dbraw/zinc/59/69/11/1405596911.db2.gz DIVAFKKUYQAVFY-AEFFLSMTSA-N 2 2 340.471 2.412 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3CCC=CCC3)C2)CC1 ZINC000918907339 769468103 /nfs/dbraw/zinc/46/81/03/769468103.db2.gz XIOSSSBYZSNSCM-QGZVFWFLSA-N 2 2 334.508 2.201 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3CCC=CCC3)C2)CC1 ZINC000918907339 769468109 /nfs/dbraw/zinc/46/81/09/769468109.db2.gz XIOSSSBYZSNSCM-QGZVFWFLSA-N 2 2 334.508 2.201 10 0 EEAELP c1cc(-c2noc([C@]34C[C@H]3CCC[NH2+]4)n2)ccc1C[NH+]1CCOCC1 ZINC000900000301 774470554 /nfs/dbraw/zinc/47/05/54/774470554.db2.gz DVINTGDAPPHWAL-APWZRJJASA-N 2 2 340.427 2.167 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000819322973 785506131 /nfs/dbraw/zinc/50/61/31/785506131.db2.gz XGCRCKLVBHWBSN-ABAIWWIYSA-N 2 2 341.333 2.489 10 0 EEAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCCCO1 ZINC001566465850 1125625897 /nfs/dbraw/zinc/62/58/97/1125625897.db2.gz GSVZGXXPMXYBNS-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCCCO1 ZINC001566465850 1125625903 /nfs/dbraw/zinc/62/59/03/1125625903.db2.gz GSVZGXXPMXYBNS-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccnc(Cl)c1 ZINC001566574124 1125753859 /nfs/dbraw/zinc/75/38/59/1125753859.db2.gz IUOBGPNHLPEUNQ-UHFFFAOYSA-N 2 2 349.866 2.337 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccnc(Cl)c1 ZINC001566574124 1125753867 /nfs/dbraw/zinc/75/38/67/1125753867.db2.gz IUOBGPNHLPEUNQ-UHFFFAOYSA-N 2 2 349.866 2.337 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](C/C(Cl)=C/Cl)CC2 ZINC001436760108 1088273816 /nfs/dbraw/zinc/27/38/16/1088273816.db2.gz UKJGTTXXKJAMGR-KXXVWKPMSA-N 2 2 334.291 2.228 10 0 EEAELP Cc1cc(C[NH2+]C2CCC(NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)no1 ZINC001437090862 1089043203 /nfs/dbraw/zinc/04/32/03/1089043203.db2.gz RZFCDFPDFVPOCN-JEYLPNPQSA-N 2 2 345.447 2.348 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001437150084 1089148495 /nfs/dbraw/zinc/14/84/95/1089148495.db2.gz LILWIJDVHZEDSD-DYVFJYSZSA-N 2 2 347.463 2.370 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cc(C2CC2)no1 ZINC001437378893 1089623027 /nfs/dbraw/zinc/62/30/27/1089623027.db2.gz LKPQGTNDNGTGHI-KCPJHIHWSA-N 2 2 343.431 2.063 10 0 EEAELP Cc1nocc1C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001437810395 1090402267 /nfs/dbraw/zinc/40/22/67/1090402267.db2.gz ASZYMJILEXHUCP-SFHVURJKSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1nocc1C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001437810395 1090402269 /nfs/dbraw/zinc/40/22/69/1090402269.db2.gz ASZYMJILEXHUCP-SFHVURJKSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001438668710 1091158190 /nfs/dbraw/zinc/15/81/90/1091158190.db2.gz LYPAHCABBURNOQ-WBVHZDCISA-N 2 2 344.503 2.462 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001438685010 1091183282 /nfs/dbraw/zinc/18/32/82/1091183282.db2.gz FQBGOXGZEZNTEJ-ZFWWWQNUSA-N 2 2 343.475 2.237 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001438685010 1091183283 /nfs/dbraw/zinc/18/32/83/1091183283.db2.gz FQBGOXGZEZNTEJ-ZFWWWQNUSA-N 2 2 343.475 2.237 10 0 EEAELP C[C@@H](C[NH2+]C/C(Cl)=C/Cl)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001438688268 1091189811 /nfs/dbraw/zinc/18/98/11/1091189811.db2.gz IYZAHZIZLHWVKS-DQWNNTKLSA-N 2 2 345.274 2.279 10 0 EEAELP Cc1oncc1C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001438758685 1091324001 /nfs/dbraw/zinc/32/40/01/1091324001.db2.gz YSZNYAIQZVYQPR-KRWDZBQOSA-N 2 2 345.447 2.034 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cncs1 ZINC001439376645 1092116064 /nfs/dbraw/zinc/11/60/64/1092116064.db2.gz AVHWSPQSXIWVHR-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cncs1 ZINC001439376645 1092116070 /nfs/dbraw/zinc/11/60/70/1092116070.db2.gz AVHWSPQSXIWVHR-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cncs1 ZINC001439376645 1092116076 /nfs/dbraw/zinc/11/60/76/1092116076.db2.gz AVHWSPQSXIWVHR-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cncs1 ZINC001439376645 1092116081 /nfs/dbraw/zinc/11/60/81/1092116081.db2.gz AVHWSPQSXIWVHR-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001439381865 1092126024 /nfs/dbraw/zinc/12/60/24/1092126024.db2.gz MBFZJDCQSNTMSI-ZIAGYGMSSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc(F)cc1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001439381865 1092126026 /nfs/dbraw/zinc/12/60/26/1092126026.db2.gz MBFZJDCQSNTMSI-ZIAGYGMSSA-N 2 2 332.423 2.364 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439546277 1092415972 /nfs/dbraw/zinc/41/59/72/1092415972.db2.gz KFWNGXCRVVYCAR-RDTXWAMCSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439546277 1092415976 /nfs/dbraw/zinc/41/59/76/1092415976.db2.gz KFWNGXCRVVYCAR-RDTXWAMCSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439546277 1092415982 /nfs/dbraw/zinc/41/59/82/1092415982.db2.gz KFWNGXCRVVYCAR-RDTXWAMCSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439546277 1092415989 /nfs/dbraw/zinc/41/59/89/1092415989.db2.gz KFWNGXCRVVYCAR-RDTXWAMCSA-N 2 2 333.451 2.166 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001439563942 1092441812 /nfs/dbraw/zinc/44/18/12/1092441812.db2.gz SYAGDXFBIGQFDL-OCCSQVGLSA-N 2 2 326.391 2.070 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001439563942 1092441817 /nfs/dbraw/zinc/44/18/17/1092441817.db2.gz SYAGDXFBIGQFDL-OCCSQVGLSA-N 2 2 326.391 2.070 10 0 EEAELP Cc1ccc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)c(Cl)c1 ZINC001446289748 1092445516 /nfs/dbraw/zinc/44/55/16/1092445516.db2.gz LKLCISBLGCEGLA-UHFFFAOYSA-N 2 2 332.835 2.284 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2Cl)C1 ZINC001439574951 1092466611 /nfs/dbraw/zinc/46/66/11/1092466611.db2.gz QBZOOGUFQYSEOT-GDBMZVCRSA-N 2 2 335.879 2.372 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2Cl)C1 ZINC001439574951 1092466614 /nfs/dbraw/zinc/46/66/14/1092466614.db2.gz QBZOOGUFQYSEOT-GDBMZVCRSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2Cl)C1 ZINC001439574951 1092466620 /nfs/dbraw/zinc/46/66/20/1092466620.db2.gz QBZOOGUFQYSEOT-GDBMZVCRSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2Cl)C1 ZINC001439574951 1092466626 /nfs/dbraw/zinc/46/66/26/1092466626.db2.gz QBZOOGUFQYSEOT-GDBMZVCRSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1)c1cccc(F)c1 ZINC001439633561 1092553397 /nfs/dbraw/zinc/55/33/97/1092553397.db2.gz SDAWONKWQJHAHD-AWEZNQCLSA-N 2 2 330.407 2.412 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C2CCCC2)o1 ZINC001439814978 1092789113 /nfs/dbraw/zinc/78/91/13/1092789113.db2.gz OMBDLGPHBOAJSF-QGZVFWFLSA-N 2 2 345.447 2.022 10 0 EEAELP C[C@@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001439881918 1092931215 /nfs/dbraw/zinc/93/12/15/1092931215.db2.gz CMJHNPAXYYVUSL-XLIONFOSSA-N 2 2 344.503 2.464 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC1CC(C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001440759926 1094001502 /nfs/dbraw/zinc/00/15/02/1094001502.db2.gz HRFYLOIVXLCWDA-SDQBBNPISA-N 2 2 345.274 2.156 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001449068360 1094083267 /nfs/dbraw/zinc/08/32/67/1094083267.db2.gz VOQLMRRLDFMSOS-URFGDBDFSA-N 2 2 331.247 2.077 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001440840671 1094095644 /nfs/dbraw/zinc/09/56/44/1094095644.db2.gz MLIAUEIFWOWEHY-MOVUHUBBSA-N 2 2 326.444 2.159 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)cc1F ZINC001440843574 1094100829 /nfs/dbraw/zinc/10/08/29/1094100829.db2.gz QEIQLILSAGAEJK-KGLIPLIRSA-N 2 2 332.423 2.093 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CCC([C@H](C)NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001449363471 1094328483 /nfs/dbraw/zinc/32/84/83/1094328483.db2.gz DMYZSCHFCLZTON-LSDHHAIUSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1conc1C[NH2+]C1CC(N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001449389160 1094364004 /nfs/dbraw/zinc/36/40/04/1094364004.db2.gz VJBWJEQYRVBAEI-UHFFFAOYSA-N 2 2 345.447 2.047 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)C1CC[NH+](Cc2cnc(C)o2)CC1 ZINC001441170861 1094524186 /nfs/dbraw/zinc/52/41/86/1094524186.db2.gz ZCRNZTBZEJTRQT-UHFFFAOYSA-N 2 2 345.447 2.152 10 0 EEAELP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441438022 1095050519 /nfs/dbraw/zinc/05/05/19/1095050519.db2.gz KGFLRKYMTRMCLS-SJLPKXTDSA-N 2 2 330.476 2.072 10 0 EEAELP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CC=C(Cl)Cl ZINC001441928877 1096115536 /nfs/dbraw/zinc/11/55/36/1096115536.db2.gz LPRQZUZZSMYLIT-SNVBAGLBSA-N 2 2 331.247 2.098 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1cc(F)ccc1F ZINC001441960644 1096162290 /nfs/dbraw/zinc/16/22/90/1096162290.db2.gz QFWHLIZQMYFVMK-NILFDRSVSA-N 2 2 348.397 2.096 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)oc1C ZINC001442148748 1096399245 /nfs/dbraw/zinc/39/92/45/1096399245.db2.gz OTNRPFJQTLOCFN-LSDHHAIUSA-N 2 2 336.480 2.006 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C)oc1C ZINC001442148748 1096399248 /nfs/dbraw/zinc/39/92/48/1096399248.db2.gz OTNRPFJQTLOCFN-LSDHHAIUSA-N 2 2 336.480 2.006 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)Cc2cccc(F)c2F)CC[N@@H+]1C ZINC001442485127 1096820510 /nfs/dbraw/zinc/82/05/10/1096820510.db2.gz DJDOECRPANTXCK-KBPBESRZSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCC[NH+](C)Cc2cccc(F)c2F)CC[N@H+]1C ZINC001442485127 1096820519 /nfs/dbraw/zinc/82/05/19/1096820519.db2.gz DJDOECRPANTXCK-KBPBESRZSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCC[N@H+](C)Cc2cccc(F)c2F)CC[NH+]1C ZINC001442485127 1096820528 /nfs/dbraw/zinc/82/05/28/1096820528.db2.gz DJDOECRPANTXCK-KBPBESRZSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCC[N@@H+](C)Cc2cccc(F)c2F)CC[NH+]1C ZINC001442485127 1096820535 /nfs/dbraw/zinc/82/05/35/1096820535.db2.gz DJDOECRPANTXCK-KBPBESRZSA-N 2 2 339.430 2.243 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001442814981 1097201643 /nfs/dbraw/zinc/20/16/43/1097201643.db2.gz CZYLKFYVVGSOHU-IRXDYDNUSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001442814981 1097201649 /nfs/dbraw/zinc/20/16/49/1097201649.db2.gz CZYLKFYVVGSOHU-IRXDYDNUSA-N 2 2 341.459 2.318 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001442898591 1097300255 /nfs/dbraw/zinc/30/02/55/1097300255.db2.gz RPSBMVYRYYRJIZ-LSDHHAIUSA-N 2 2 345.422 2.007 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001442898591 1097300258 /nfs/dbraw/zinc/30/02/58/1097300258.db2.gz RPSBMVYRYYRJIZ-LSDHHAIUSA-N 2 2 345.422 2.007 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001443335738 1097848276 /nfs/dbraw/zinc/84/82/76/1097848276.db2.gz FSUFJPMDNGKXSM-IRXDYDNUSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@@H+](C)CC[C@@H]2CCCCO2)C1 ZINC001443335738 1097848281 /nfs/dbraw/zinc/84/82/81/1097848281.db2.gz FSUFJPMDNGKXSM-IRXDYDNUSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1ccc(/C=C/C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001443782485 1098271461 /nfs/dbraw/zinc/27/14/61/1098271461.db2.gz VQUALNNNJBWCJF-GHOSXJJBSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1ccc(/C=C/C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001443782485 1098271466 /nfs/dbraw/zinc/27/14/66/1098271466.db2.gz VQUALNNNJBWCJF-GHOSXJJBSA-N 2 2 342.487 2.030 10 0 EEAELP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001443853868 1098374064 /nfs/dbraw/zinc/37/40/64/1098374064.db2.gz JVPMULISSYROBO-MRXNPFEDSA-N 2 2 336.480 2.056 10 0 EEAELP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001443853868 1098374070 /nfs/dbraw/zinc/37/40/70/1098374070.db2.gz JVPMULISSYROBO-MRXNPFEDSA-N 2 2 336.480 2.056 10 0 EEAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cncc(F)c1 ZINC001444010328 1098526835 /nfs/dbraw/zinc/52/68/35/1098526835.db2.gz PHQURQGDDCPUNE-CZUORRHYSA-N 2 2 333.411 2.053 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001479716517 1098799994 /nfs/dbraw/zinc/79/99/94/1098799994.db2.gz ICPMYUIDBLYVBA-CABCVRRESA-N 2 2 348.491 2.219 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001479716517 1098799998 /nfs/dbraw/zinc/79/99/98/1098799998.db2.gz ICPMYUIDBLYVBA-CABCVRRESA-N 2 2 348.491 2.219 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCc2ccccc21 ZINC001444325220 1098888883 /nfs/dbraw/zinc/88/88/83/1098888883.db2.gz OPZWKKYCQKRHBT-RDTXWAMCSA-N 2 2 326.444 2.372 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@@H]1CCc2ccccc21 ZINC001444325220 1098888896 /nfs/dbraw/zinc/88/88/96/1098888896.db2.gz OPZWKKYCQKRHBT-RDTXWAMCSA-N 2 2 326.444 2.372 10 0 EEAELP Cc1cnc([C@H](C)[N@H+](CCCNC(=O)Cn2c[nH+]cc2C)C2CC2)o1 ZINC001479872371 1099220323 /nfs/dbraw/zinc/22/03/23/1099220323.db2.gz MOGKRCIITPZVNH-HNNXBMFYSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+](CCCNC(=O)Cn2c[nH+]cc2C)C2CC2)o1 ZINC001479872371 1099220331 /nfs/dbraw/zinc/22/03/31/1099220331.db2.gz MOGKRCIITPZVNH-HNNXBMFYSA-N 2 2 345.447 2.220 10 0 EEAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001444782659 1099689151 /nfs/dbraw/zinc/68/91/51/1099689151.db2.gz FYOURLXGCVNTJL-HNTCUJBNSA-N 2 2 338.455 2.423 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480143820 1099711446 /nfs/dbraw/zinc/71/14/46/1099711446.db2.gz MWPIBNVCCCAEPE-QICYXEMGSA-N 2 2 336.439 2.463 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480143820 1099711454 /nfs/dbraw/zinc/71/14/54/1099711454.db2.gz MWPIBNVCCCAEPE-QICYXEMGSA-N 2 2 336.439 2.463 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC001480258049 1099924758 /nfs/dbraw/zinc/92/47/58/1099924758.db2.gz WCVVVWFQEXWRLD-CYBMUJFWSA-N 2 2 345.274 2.339 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC001480258049 1099924772 /nfs/dbraw/zinc/92/47/72/1099924772.db2.gz WCVVVWFQEXWRLD-CYBMUJFWSA-N 2 2 345.274 2.339 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001480286439 1099994923 /nfs/dbraw/zinc/99/49/23/1099994923.db2.gz REBBFVVDKJZNKY-LBPRGKRZSA-N 2 2 332.370 2.123 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001480286439 1099994928 /nfs/dbraw/zinc/99/49/28/1099994928.db2.gz REBBFVVDKJZNKY-LBPRGKRZSA-N 2 2 332.370 2.123 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001480287737 1099996843 /nfs/dbraw/zinc/99/68/43/1099996843.db2.gz VUTCUXPUFJLKKP-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001480287032 1099996991 /nfs/dbraw/zinc/99/69/91/1099996991.db2.gz BSFPEYPFGPJUES-IAGOWNOFSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)C[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496276325 1100856653 /nfs/dbraw/zinc/85/66/53/1100856653.db2.gz QOOQFZVXDPUVBA-BRWVUGGUSA-N 2 2 341.459 2.229 10 0 EEAELP CC(C)C[C@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496276325 1100856657 /nfs/dbraw/zinc/85/66/57/1100856657.db2.gz QOOQFZVXDPUVBA-BRWVUGGUSA-N 2 2 341.459 2.229 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495279730 1100976657 /nfs/dbraw/zinc/97/66/57/1100976657.db2.gz CWLIJNJCJBNZMY-IFXJQAMLSA-N 2 2 341.459 2.058 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495279730 1100976662 /nfs/dbraw/zinc/97/66/62/1100976662.db2.gz CWLIJNJCJBNZMY-IFXJQAMLSA-N 2 2 341.459 2.058 10 0 EEAELP C[C@@](C[NH2+]CCc1ccccc1F)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001495280327 1100978204 /nfs/dbraw/zinc/97/82/04/1100978204.db2.gz HMWJIGDHDMUSLD-IBGZPJMESA-N 2 2 344.434 2.209 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@](C)(C[NH2+]CC1CCCC1)C1CC1 ZINC001495295862 1100995493 /nfs/dbraw/zinc/99/54/93/1100995493.db2.gz ATDXRUHLMGZXLX-LJQANCHMSA-N 2 2 332.492 2.417 10 0 EEAELP C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001495462170 1101174566 /nfs/dbraw/zinc/17/45/66/1101174566.db2.gz LUQJDSMZAVDCTF-BZUAXINKSA-N 2 2 344.459 2.126 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496797555 1101488355 /nfs/dbraw/zinc/48/83/55/1101488355.db2.gz YTUGJMVQTNMTDQ-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496797555 1101488359 /nfs/dbraw/zinc/48/83/59/1101488359.db2.gz YTUGJMVQTNMTDQ-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001496797555 1101488367 /nfs/dbraw/zinc/48/83/67/1101488367.db2.gz YTUGJMVQTNMTDQ-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001496797555 1101488372 /nfs/dbraw/zinc/48/83/72/1101488372.db2.gz YTUGJMVQTNMTDQ-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP COCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001447036352 1101800153 /nfs/dbraw/zinc/80/01/53/1101800153.db2.gz SFXULWKBFWNXAH-RCCFBDPRSA-N 2 2 348.491 2.040 10 0 EEAELP COCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001447036352 1101800168 /nfs/dbraw/zinc/80/01/68/1101800168.db2.gz SFXULWKBFWNXAH-RCCFBDPRSA-N 2 2 348.491 2.040 10 0 EEAELP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001496095220 1102050026 /nfs/dbraw/zinc/05/00/26/1102050026.db2.gz VLFVSNJRNGZBRU-LSDHHAIUSA-N 2 2 346.500 2.186 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc2cccnc2C)c[nH+]1 ZINC001496096705 1102051052 /nfs/dbraw/zinc/05/10/52/1102051052.db2.gz MGTRHRFPRUUWPH-HNNXBMFYSA-N 2 2 343.475 2.267 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497210119 1102131855 /nfs/dbraw/zinc/13/18/55/1102131855.db2.gz YQORESVKGOXSBP-MRVWCRGKSA-N 2 2 347.850 2.246 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497210119 1102131859 /nfs/dbraw/zinc/13/18/59/1102131859.db2.gz YQORESVKGOXSBP-MRVWCRGKSA-N 2 2 347.850 2.246 10 0 EEAELP CC[C@H](F)C[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC001447200442 1102190488 /nfs/dbraw/zinc/19/04/88/1102190488.db2.gz QWRYGUBSKNLLRW-AWEZNQCLSA-N 2 2 336.455 2.139 10 0 EEAELP CCO[C@@H](C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001447311989 1102429605 /nfs/dbraw/zinc/42/96/05/1102429605.db2.gz VZAOWSQDCOXJHZ-WMZOPIPTSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@@H](C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001447311989 1102429608 /nfs/dbraw/zinc/42/96/08/1102429608.db2.gz VZAOWSQDCOXJHZ-WMZOPIPTSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@@H](C[N@@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001447311989 1102429610 /nfs/dbraw/zinc/42/96/10/1102429610.db2.gz VZAOWSQDCOXJHZ-WMZOPIPTSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@@H](C[N@H+]1CCC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001447311989 1102429612 /nfs/dbraw/zinc/42/96/12/1102429612.db2.gz VZAOWSQDCOXJHZ-WMZOPIPTSA-N 2 2 348.491 2.128 10 0 EEAELP CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)Cc1c[nH+]cn1C ZINC001497485820 1102565080 /nfs/dbraw/zinc/56/50/80/1102565080.db2.gz GVSKSZNASFRETO-UHFFFAOYSA-N 2 2 340.427 2.347 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001447402275 1102594101 /nfs/dbraw/zinc/59/41/01/1102594101.db2.gz AIFUOKPVKCBFRC-SJLPKXTDSA-N 2 2 345.487 2.047 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001447402275 1102594116 /nfs/dbraw/zinc/59/41/16/1102594116.db2.gz AIFUOKPVKCBFRC-SJLPKXTDSA-N 2 2 345.487 2.047 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]Cc1cccc(C(F)F)c1 ZINC001497685120 1102901270 /nfs/dbraw/zinc/90/12/70/1102901270.db2.gz ISOQYXDAIFTXSZ-OWOJBTEDSA-N 2 2 334.370 2.352 10 0 EEAELP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001493893194 1103062283 /nfs/dbraw/zinc/06/22/83/1103062283.db2.gz DWQUYBDBYBQAMZ-IRXDYDNUSA-N 2 2 326.444 2.301 10 0 EEAELP CCCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001493952703 1103184349 /nfs/dbraw/zinc/18/43/49/1103184349.db2.gz VHUIBZKEXNQZOP-KRWDZBQOSA-N 2 2 332.492 2.483 10 0 EEAELP CCCN(C(=O)Cc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@H+](C(C)C)C1 ZINC001493952703 1103184357 /nfs/dbraw/zinc/18/43/57/1103184357.db2.gz VHUIBZKEXNQZOP-KRWDZBQOSA-N 2 2 332.492 2.483 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001447912482 1103580765 /nfs/dbraw/zinc/58/07/65/1103580765.db2.gz FKSIKNVEYJVSJT-STQMWFEESA-N 2 2 332.423 2.391 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494229783 1103728089 /nfs/dbraw/zinc/72/80/89/1103728089.db2.gz RCHDYHUORPZRMG-YRLOJYSSSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC001448032355 1103839767 /nfs/dbraw/zinc/83/97/67/1103839767.db2.gz BGBQROWCJWLYSV-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)c(C)o1 ZINC001448032355 1103839778 /nfs/dbraw/zinc/83/97/78/1103839778.db2.gz BGBQROWCJWLYSV-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)c(C)o1 ZINC001448032355 1103839789 /nfs/dbraw/zinc/83/97/89/1103839789.db2.gz BGBQROWCJWLYSV-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)c(C)o1 ZINC001448032355 1103839802 /nfs/dbraw/zinc/83/98/02/1103839802.db2.gz BGBQROWCJWLYSV-CZUORRHYSA-N 2 2 336.480 2.102 10 0 EEAELP CCO[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1)C1CC1 ZINC001494398592 1103984053 /nfs/dbraw/zinc/98/40/53/1103984053.db2.gz IVMGPNVRZZBTCY-RBUKOAKNSA-N 2 2 349.519 2.009 10 0 EEAELP CCO[C@H](C[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1)C1CC1 ZINC001494398592 1103984058 /nfs/dbraw/zinc/98/40/58/1103984058.db2.gz IVMGPNVRZZBTCY-RBUKOAKNSA-N 2 2 349.519 2.009 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC(NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001494507896 1104097866 /nfs/dbraw/zinc/09/78/66/1104097866.db2.gz SOLKZASUGKPCBX-MRXNPFEDSA-N 2 2 345.487 2.433 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001494876419 1104486684 /nfs/dbraw/zinc/48/66/84/1104486684.db2.gz OKUVMENJYIFEQA-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC001494876419 1104486687 /nfs/dbraw/zinc/48/66/87/1104486687.db2.gz OKUVMENJYIFEQA-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498127246 1106959375 /nfs/dbraw/zinc/95/93/75/1106959375.db2.gz GUWIQGZORKHNPT-STQMWFEESA-N 2 2 336.386 2.407 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001498380830 1107423353 /nfs/dbraw/zinc/42/33/53/1107423353.db2.gz KLVYNRZUBGGKEJ-UONOGXRCSA-N 2 2 340.443 2.069 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001498380830 1107423357 /nfs/dbraw/zinc/42/33/57/1107423357.db2.gz KLVYNRZUBGGKEJ-UONOGXRCSA-N 2 2 340.443 2.069 10 0 EEAELP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498385341 1107429398 /nfs/dbraw/zinc/42/93/98/1107429398.db2.gz JACMDQXGFAXHCO-CGTJXYLNSA-N 2 2 340.471 2.469 10 0 EEAELP Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498385341 1107429401 /nfs/dbraw/zinc/42/94/01/1107429401.db2.gz JACMDQXGFAXHCO-CGTJXYLNSA-N 2 2 340.471 2.469 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccncc1Cl ZINC001493158957 1107612714 /nfs/dbraw/zinc/61/27/14/1107612714.db2.gz AJOKTISRPIPABH-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccncc1Cl ZINC001493158957 1107612720 /nfs/dbraw/zinc/61/27/20/1107612720.db2.gz AJOKTISRPIPABH-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccncc1Cl ZINC001493158957 1107612725 /nfs/dbraw/zinc/61/27/25/1107612725.db2.gz AJOKTISRPIPABH-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccncc1Cl ZINC001493158957 1107612730 /nfs/dbraw/zinc/61/27/30/1107612730.db2.gz AJOKTISRPIPABH-OAHLLOKOSA-N 2 2 338.883 2.156 10 0 EEAELP CCc1ccccc1C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001493167924 1107629349 /nfs/dbraw/zinc/62/93/49/1107629349.db2.gz MNBMVRZCMORXFK-SFHVURJKSA-N 2 2 326.444 2.226 10 0 EEAELP CCc1ccccc1C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001493167924 1107629353 /nfs/dbraw/zinc/62/93/53/1107629353.db2.gz MNBMVRZCMORXFK-SFHVURJKSA-N 2 2 326.444 2.226 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001493272896 1107829046 /nfs/dbraw/zinc/82/90/46/1107829046.db2.gz YKKZEPFJEDAROK-HNNXBMFYSA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001493272896 1107829061 /nfs/dbraw/zinc/82/90/61/1107829061.db2.gz YKKZEPFJEDAROK-HNNXBMFYSA-N 2 2 340.418 2.147 10 0 EEAELP CCC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1ccccn1 ZINC001493299056 1107889046 /nfs/dbraw/zinc/88/90/46/1107889046.db2.gz IORZCUMDXZOFJX-UHFFFAOYSA-N 2 2 343.475 2.350 10 0 EEAELP CCC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1ccccn1 ZINC001493299056 1107889063 /nfs/dbraw/zinc/88/90/63/1107889063.db2.gz IORZCUMDXZOFJX-UHFFFAOYSA-N 2 2 343.475 2.350 10 0 EEAELP Cc1ncoc1C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001493430834 1108144029 /nfs/dbraw/zinc/14/40/29/1108144029.db2.gz VLCQCVVLYXXHQT-DLBZAZTESA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001493430834 1108144038 /nfs/dbraw/zinc/14/40/38/1108144038.db2.gz VLCQCVVLYXXHQT-DLBZAZTESA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001493430834 1108144047 /nfs/dbraw/zinc/14/40/47/1108144047.db2.gz VLCQCVVLYXXHQT-DLBZAZTESA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001493430834 1108144056 /nfs/dbraw/zinc/14/40/56/1108144056.db2.gz VLCQCVVLYXXHQT-DLBZAZTESA-N 2 2 346.475 2.081 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001479468965 1110698760 /nfs/dbraw/zinc/69/87/60/1110698760.db2.gz ZNBIMYHZLVWCAN-RBUKOAKNSA-N 2 2 340.471 2.390 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC1([NH2+][C@H](C)c2ccc(F)cc2F)CC1 ZINC001499448941 1112291239 /nfs/dbraw/zinc/29/12/39/1112291239.db2.gz XRDNWNYPFYBSEI-GFCCVEGCSA-N 2 2 348.397 2.469 10 0 EEAELP O=C(C=C1CCC1)NCC[NH+]1CCC([NH2+]CCC(F)(F)F)CC1 ZINC001501254681 1113264516 /nfs/dbraw/zinc/26/45/16/1113264516.db2.gz PNZOVQCPXWPPAS-UHFFFAOYSA-N 2 2 333.398 2.219 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001501654840 1113416866 /nfs/dbraw/zinc/41/68/66/1113416866.db2.gz HLCNGUSXTLYCMS-KRWDZBQOSA-N 2 2 326.444 2.220 10 0 EEAELP CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncs1 ZINC001506482019 1114640442 /nfs/dbraw/zinc/64/04/42/1114640442.db2.gz CUTMBHPLPUCOQG-OAHLLOKOSA-N 2 2 335.477 2.003 10 0 EEAELP Cc1nocc1C[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001506746514 1114859917 /nfs/dbraw/zinc/85/99/17/1114859917.db2.gz DLCPDLHBKQMECD-BBRMVZONSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1nocc1C[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001506746514 1114859918 /nfs/dbraw/zinc/85/99/18/1114859918.db2.gz DLCPDLHBKQMECD-BBRMVZONSA-N 2 2 345.447 2.157 10 0 EEAELP CCc1noc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001507127602 1115122773 /nfs/dbraw/zinc/12/27/73/1115122773.db2.gz GGYYIYPIGZODOR-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001507137155 1115127970 /nfs/dbraw/zinc/12/79/70/1115127970.db2.gz UHCWLLIMBHDMKQ-INIZCTEOSA-N 2 2 328.460 2.330 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CCCc1ccsc1 ZINC001507145306 1115131944 /nfs/dbraw/zinc/13/19/44/1115131944.db2.gz YSFUNOOUCYYGEV-CQSZACIVSA-N 2 2 334.489 2.093 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@@H](O)C[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001507492669 1115289098 /nfs/dbraw/zinc/28/90/98/1115289098.db2.gz OCSGUQCQLOYQQG-KRWDZBQOSA-N 2 2 347.503 2.466 10 0 EEAELP CC[C@@H](F)C[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC001508026067 1115391485 /nfs/dbraw/zinc/39/14/85/1115391485.db2.gz IEXOAFPFLVNTDY-UKRRQHHQSA-N 2 2 326.460 2.221 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568753131 1124767458 /nfs/dbraw/zinc/76/74/58/1124767458.db2.gz GEIMWEDBDSGGAI-QGZVFWFLSA-N 2 2 340.471 2.392 10 0 EEAELP O=C(NC/C=C/C[NH2+]CCCC1CCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568876356 1124901618 /nfs/dbraw/zinc/90/16/18/1124901618.db2.gz STXFTBLHIRCZMD-WZHGYECESA-N 2 2 330.476 2.288 10 0 EEAELP C[N@@H+]1CCC[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000131256289 530063594 /nfs/dbraw/zinc/06/35/94/530063594.db2.gz CQELSOHKNSKTJI-RCCFBDPRSA-N 2 2 337.895 2.396 10 0 EEAELP C[N@H+]1CCC[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000131256289 530063595 /nfs/dbraw/zinc/06/35/95/530063595.db2.gz CQELSOHKNSKTJI-RCCFBDPRSA-N 2 2 337.895 2.396 10 0 EEAELP C[NH+]1CCC[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000131256289 530063596 /nfs/dbraw/zinc/06/35/96/530063596.db2.gz CQELSOHKNSKTJI-RCCFBDPRSA-N 2 2 337.895 2.396 10 0 EEAELP C[NH+]1CCC[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000131256289 530063597 /nfs/dbraw/zinc/06/35/97/530063597.db2.gz CQELSOHKNSKTJI-RCCFBDPRSA-N 2 2 337.895 2.396 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000155307864 539488724 /nfs/dbraw/zinc/48/87/24/539488724.db2.gz NKXALMGUBNLCDK-PKOBYXMFSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000155307864 539488727 /nfs/dbraw/zinc/48/87/27/539488727.db2.gz NKXALMGUBNLCDK-PKOBYXMFSA-N 2 2 331.504 2.350 10 0 EEAELP Cn1cc[nH+]c1CC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000040639057 213362770 /nfs/dbraw/zinc/36/27/70/213362770.db2.gz BXEGWJHVJFWRHZ-UHFFFAOYSA-N 2 2 338.205 2.244 10 0 EEAELP O=C1NC[C@]2(CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)O1 ZINC000072133925 216023106 /nfs/dbraw/zinc/02/31/06/216023106.db2.gz SFLNGQQPMIIMSX-GOSISDBHSA-N 2 2 326.400 2.337 10 0 EEAELP O=C1NC[C@]2(CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)O1 ZINC000072133925 216023108 /nfs/dbraw/zinc/02/31/08/216023108.db2.gz SFLNGQQPMIIMSX-GOSISDBHSA-N 2 2 326.400 2.337 10 0 EEAELP C[C@H]([NH2+]CCCS(=O)(=O)Cc1ccccc1)c1c[nH+]ccc1N ZINC000422709219 240183464 /nfs/dbraw/zinc/18/34/64/240183464.db2.gz KBRKPIYMXCFQKO-AWEZNQCLSA-N 2 2 333.457 2.150 10 0 EEAELP CC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn2)CC1 ZINC000422888646 240275227 /nfs/dbraw/zinc/27/52/27/240275227.db2.gz DKXQHFAGAPMEFR-AZUAARDMSA-N 2 2 344.503 2.175 10 0 EEAELP c1cc(N2CCCCCC2)ncc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422893464 240279165 /nfs/dbraw/zinc/27/91/65/240279165.db2.gz QRIFHTIMAHRKFU-AZUAARDMSA-N 2 2 344.503 2.319 10 0 EEAELP COc1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423048672 240343057 /nfs/dbraw/zinc/34/30/57/240343057.db2.gz JCAILQUWLFDRIQ-UXPWSPDFSA-N 2 2 330.472 2.472 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426161009 241227899 /nfs/dbraw/zinc/22/78/99/241227899.db2.gz LJSJJIBQEFBEKD-DOTOQJQBSA-N 2 2 336.476 2.422 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426161009 241227906 /nfs/dbraw/zinc/22/79/06/241227906.db2.gz LJSJJIBQEFBEKD-DOTOQJQBSA-N 2 2 336.476 2.422 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000438845307 242053147 /nfs/dbraw/zinc/05/31/47/242053147.db2.gz YEGLSXNVSFWLIT-MRXNPFEDSA-N 2 2 337.537 2.398 10 0 EEAELP COCc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)no1 ZINC000459476486 245136557 /nfs/dbraw/zinc/13/65/57/245136557.db2.gz ZULFYXDEMMOORD-UHFFFAOYSA-N 2 2 337.464 2.145 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000459659413 245202242 /nfs/dbraw/zinc/20/22/42/245202242.db2.gz JVWLMJPKOBDGSY-UHFFFAOYSA-N 3 2 330.451 2.398 10 0 EEAELP CCOC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000093148130 218197884 /nfs/dbraw/zinc/19/78/84/218197884.db2.gz BDIBWEYNOMHCAY-MRXNPFEDSA-N 2 2 349.475 2.058 10 0 EEAELP CCOC(=O)c1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000093148130 218197886 /nfs/dbraw/zinc/19/78/86/218197886.db2.gz BDIBWEYNOMHCAY-MRXNPFEDSA-N 2 2 349.475 2.058 10 0 EEAELP COc1cc(C[NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)cc2c1OCO2 ZINC000328635321 258025975 /nfs/dbraw/zinc/02/59/75/258025975.db2.gz NGXWUEXLIHVTGN-ZFWWWQNUSA-N 2 2 345.399 2.167 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172648737 152105277 /nfs/dbraw/zinc/10/52/77/152105277.db2.gz GEQAMTJAAIXGIV-MRXNPFEDSA-N 2 2 330.476 2.109 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172648737 152105278 /nfs/dbraw/zinc/10/52/78/152105278.db2.gz GEQAMTJAAIXGIV-MRXNPFEDSA-N 2 2 330.476 2.109 10 0 EEAELP C[C@H](c1cccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1)[NH+]1CCOCC1 ZINC000263107061 152375657 /nfs/dbraw/zinc/37/56/57/152375657.db2.gz AAGHXJMVWZITGV-DOMZBBRYSA-N 2 2 339.386 2.016 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCSc3ccccc3)CC2)cc[nH+]1 ZINC000352234668 153016308 /nfs/dbraw/zinc/01/63/08/153016308.db2.gz MREBGBWDHWARHO-UHFFFAOYSA-N 2 2 343.500 2.457 10 0 EEAELP COCCOc1ccccc1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079682 159213674 /nfs/dbraw/zinc/21/36/74/159213674.db2.gz KWNIHJWZQMUTSH-KRWDZBQOSA-N 2 2 348.487 2.397 10 0 EEAELP COCCOc1ccccc1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000092079682 159213677 /nfs/dbraw/zinc/21/36/77/159213677.db2.gz KWNIHJWZQMUTSH-KRWDZBQOSA-N 2 2 348.487 2.397 10 0 EEAELP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1c[nH]c2ccccc12 ZINC000103482236 159277318 /nfs/dbraw/zinc/27/73/18/159277318.db2.gz OBKUEOWRBBNYAE-UHFFFAOYSA-N 2 2 341.455 2.395 10 0 EEAELP C[C@@H](CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[N@H+](C)C1CC1 ZINC000105104166 159296246 /nfs/dbraw/zinc/29/62/46/159296246.db2.gz UDMXACCGQNJMCW-NSHDSACASA-N 2 2 335.839 2.270 10 0 EEAELP C[C@@H](CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[N@@H+](C)C1CC1 ZINC000105104166 159296248 /nfs/dbraw/zinc/29/62/48/159296248.db2.gz UDMXACCGQNJMCW-NSHDSACASA-N 2 2 335.839 2.270 10 0 EEAELP C[C@H]1CCC[N@H+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000105787783 159304977 /nfs/dbraw/zinc/30/49/77/159304977.db2.gz GQNRJQWYTSSGJM-DLBZAZTESA-N 2 2 347.507 2.362 10 0 EEAELP C[C@H]1CCC[N@@H+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000105787783 159304979 /nfs/dbraw/zinc/30/49/79/159304979.db2.gz GQNRJQWYTSSGJM-DLBZAZTESA-N 2 2 347.507 2.362 10 0 EEAELP C[C@H]1CCC[N@H+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000105787783 159304980 /nfs/dbraw/zinc/30/49/80/159304980.db2.gz GQNRJQWYTSSGJM-DLBZAZTESA-N 2 2 347.507 2.362 10 0 EEAELP C[C@H]1CCC[N@@H+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000105787783 159304982 /nfs/dbraw/zinc/30/49/82/159304982.db2.gz GQNRJQWYTSSGJM-DLBZAZTESA-N 2 2 347.507 2.362 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245616051 160244557 /nfs/dbraw/zinc/24/45/57/160244557.db2.gz CYBUTZKKUOGDLP-QZTJIDSGSA-N 2 2 341.459 2.360 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245616051 160244559 /nfs/dbraw/zinc/24/45/59/160244559.db2.gz CYBUTZKKUOGDLP-QZTJIDSGSA-N 2 2 341.459 2.360 10 0 EEAELP COC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245740389 160250167 /nfs/dbraw/zinc/25/01/67/160250167.db2.gz VCRWTDJJGBRQMY-JQHSSLGASA-N 2 2 339.524 2.065 10 0 EEAELP COC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245740389 160250169 /nfs/dbraw/zinc/25/01/69/160250169.db2.gz VCRWTDJJGBRQMY-JQHSSLGASA-N 2 2 339.524 2.065 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000246427595 160278300 /nfs/dbraw/zinc/27/83/00/160278300.db2.gz CIZULMNEBMYPIM-GOEBONIOSA-N 2 2 335.517 2.295 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000246427595 160278302 /nfs/dbraw/zinc/27/83/02/160278302.db2.gz CIZULMNEBMYPIM-GOEBONIOSA-N 2 2 335.517 2.295 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000246427595 160278305 /nfs/dbraw/zinc/27/83/05/160278305.db2.gz CIZULMNEBMYPIM-GOEBONIOSA-N 2 2 335.517 2.295 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000246427595 160278306 /nfs/dbraw/zinc/27/83/06/160278306.db2.gz CIZULMNEBMYPIM-GOEBONIOSA-N 2 2 335.517 2.295 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247782589 160332296 /nfs/dbraw/zinc/33/22/96/160332296.db2.gz UBQQDAYQOZKGOO-WBVHZDCISA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247782589 160332297 /nfs/dbraw/zinc/33/22/97/160332297.db2.gz UBQQDAYQOZKGOO-WBVHZDCISA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247782589 160332299 /nfs/dbraw/zinc/33/22/99/160332299.db2.gz UBQQDAYQOZKGOO-WBVHZDCISA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247782589 160332300 /nfs/dbraw/zinc/33/23/00/160332300.db2.gz UBQQDAYQOZKGOO-WBVHZDCISA-N 2 2 325.403 2.166 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000352478186 162150384 /nfs/dbraw/zinc/15/03/84/162150384.db2.gz UAPHWDSQOFLMAJ-GJZGRUSLSA-N 2 2 327.432 2.212 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000352478186 162150386 /nfs/dbraw/zinc/15/03/86/162150386.db2.gz UAPHWDSQOFLMAJ-GJZGRUSLSA-N 2 2 327.432 2.212 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000367799391 166004874 /nfs/dbraw/zinc/00/48/74/166004874.db2.gz GAJWVPAHXICBEU-HUUCEWRRSA-N 2 2 333.480 2.085 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)CC(C)C ZINC000360497745 164323727 /nfs/dbraw/zinc/32/37/27/164323727.db2.gz BXCBNIWQYJZOSP-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP CC1CCN(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000375586512 167162437 /nfs/dbraw/zinc/16/24/37/167162437.db2.gz UQRLUUYESQGDPC-JWTNVVGKSA-N 2 2 334.508 2.081 10 0 EEAELP CC1CCN(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000375586512 167162438 /nfs/dbraw/zinc/16/24/38/167162438.db2.gz UQRLUUYESQGDPC-JWTNVVGKSA-N 2 2 334.508 2.081 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000157706787 292571911 /nfs/dbraw/zinc/57/19/11/292571911.db2.gz KJPLTEDGOWQPDL-UHFFFAOYSA-N 2 2 343.475 2.298 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123226670 222239328 /nfs/dbraw/zinc/23/93/28/222239328.db2.gz UMUVPHFBSSPKNI-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123226670 222239331 /nfs/dbraw/zinc/23/93/31/222239331.db2.gz UMUVPHFBSSPKNI-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123226670 222239333 /nfs/dbraw/zinc/23/93/33/222239333.db2.gz UMUVPHFBSSPKNI-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123226670 222239335 /nfs/dbraw/zinc/23/93/35/222239335.db2.gz UMUVPHFBSSPKNI-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123287423 222250137 /nfs/dbraw/zinc/25/01/37/222250137.db2.gz DAVRDKLIHOCLRZ-PBHICJAKSA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123287423 222250140 /nfs/dbraw/zinc/25/01/40/222250140.db2.gz DAVRDKLIHOCLRZ-PBHICJAKSA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123287423 222250142 /nfs/dbraw/zinc/25/01/42/222250142.db2.gz DAVRDKLIHOCLRZ-PBHICJAKSA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123287423 222250144 /nfs/dbraw/zinc/25/01/44/222250144.db2.gz DAVRDKLIHOCLRZ-PBHICJAKSA-N 2 2 347.459 2.216 10 0 EEAELP CCc1nnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000274811698 269056855 /nfs/dbraw/zinc/05/68/55/269056855.db2.gz IBXXPEXUZDOTKG-WBVHZDCISA-N 2 2 327.476 2.378 10 0 EEAELP CCc1nnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000274811698 269056857 /nfs/dbraw/zinc/05/68/57/269056857.db2.gz IBXXPEXUZDOTKG-WBVHZDCISA-N 2 2 327.476 2.378 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000280320124 269351126 /nfs/dbraw/zinc/35/11/26/269351126.db2.gz QHAMGTPEKQTGIP-HNNXBMFYSA-N 2 2 346.393 2.481 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000280320124 269351127 /nfs/dbraw/zinc/35/11/27/269351127.db2.gz QHAMGTPEKQTGIP-HNNXBMFYSA-N 2 2 346.393 2.481 10 0 EEAELP O=C1[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)CCN1Cc1ccc(F)cc1 ZINC000191761755 274051431 /nfs/dbraw/zinc/05/14/31/274051431.db2.gz OWRWTGLWHCBYEI-KRWDZBQOSA-N 2 2 338.386 2.364 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000289606185 275132023 /nfs/dbraw/zinc/13/20/23/275132023.db2.gz YCVHVZYIRVEFCL-GOSISDBHSA-N 2 2 345.422 2.096 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000289606185 275132025 /nfs/dbraw/zinc/13/20/25/275132025.db2.gz YCVHVZYIRVEFCL-GOSISDBHSA-N 2 2 345.422 2.096 10 0 EEAELP c1nnn(Cc2ccccc2)c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000291991362 275361518 /nfs/dbraw/zinc/36/15/18/275361518.db2.gz TVXHQOZNZKQIHX-UHFFFAOYSA-N 2 2 325.460 2.433 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000423017406 279369466 /nfs/dbraw/zinc/36/94/66/279369466.db2.gz WHKRSSOJKLPKBO-PILAGYSTSA-N 2 2 337.895 2.442 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000296617737 294022861 /nfs/dbraw/zinc/02/28/61/294022861.db2.gz KORLUQCYJJJCIV-RDJZCZTQSA-N 2 2 341.459 2.223 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000296617737 294022865 /nfs/dbraw/zinc/02/28/65/294022865.db2.gz KORLUQCYJJJCIV-RDJZCZTQSA-N 2 2 341.459 2.223 10 0 EEAELP CC(=O)c1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000297574261 294283893 /nfs/dbraw/zinc/28/38/93/294283893.db2.gz SFIUAKAMVAPSIV-FQEVSTJZSA-N 2 2 329.488 2.491 10 0 EEAELP CC(=O)c1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000297574261 294283896 /nfs/dbraw/zinc/28/38/96/294283896.db2.gz SFIUAKAMVAPSIV-FQEVSTJZSA-N 2 2 329.488 2.491 10 0 EEAELP C[C@@H]1CN(c2ccc(CNc3nc(N(C)C)cc[nH+]3)c[nH+]2)C[C@H](C)O1 ZINC000301746424 294889558 /nfs/dbraw/zinc/88/95/58/294889558.db2.gz YBQCYQRGWDFQCG-OKILXGFUSA-N 2 2 342.447 2.163 10 0 EEAELP CCn1nncc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417916066 313647940 /nfs/dbraw/zinc/64/79/40/313647940.db2.gz VKIPBGGFTRFIGO-CQSZACIVSA-N 2 2 346.454 2.040 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](C)C[NH3+])c(C)c1 ZINC000417943286 313661049 /nfs/dbraw/zinc/66/10/49/313661049.db2.gz UUPKDMGXCQUHLC-YOEHRIQHSA-N 2 2 329.448 2.135 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418729945 313891140 /nfs/dbraw/zinc/89/11/40/313891140.db2.gz RPVIJLSZVYMGAY-GJZGRUSLSA-N 2 2 333.480 2.065 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418729944 313891304 /nfs/dbraw/zinc/89/13/04/313891304.db2.gz RPVIJLSZVYMGAY-CABCVRRESA-N 2 2 333.480 2.065 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC3(C)CCC3)CC2)CC1 ZINC000422179286 314197302 /nfs/dbraw/zinc/19/73/02/314197302.db2.gz LCMABJFRNGIAFR-UHFFFAOYSA-N 2 2 336.524 2.378 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC3(C)CCC3)CC2)CC1 ZINC000422179286 314197305 /nfs/dbraw/zinc/19/73/05/314197305.db2.gz LCMABJFRNGIAFR-UHFFFAOYSA-N 2 2 336.524 2.378 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535926236 317986755 /nfs/dbraw/zinc/98/67/55/317986755.db2.gz GGVFHDWNTVBFNM-BZUAXINKSA-N 2 2 333.480 2.182 10 0 EEAELP Cc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000541229714 318094401 /nfs/dbraw/zinc/09/44/01/318094401.db2.gz QFEYCAUIQVAKQC-TZMCWYRMSA-N 2 2 347.488 2.335 10 0 EEAELP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543087645 318150522 /nfs/dbraw/zinc/15/05/22/318150522.db2.gz WFJGBXYFQMGZMH-GDBMZVCRSA-N 2 2 342.443 2.271 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000576524526 320179997 /nfs/dbraw/zinc/17/99/97/320179997.db2.gz QURHZQVQMRIOGT-IBGZPJMESA-N 2 2 340.471 2.256 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000576524526 320179999 /nfs/dbraw/zinc/17/99/99/320179999.db2.gz QURHZQVQMRIOGT-IBGZPJMESA-N 2 2 340.471 2.256 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580323977 324040961 /nfs/dbraw/zinc/04/09/61/324040961.db2.gz RUMDJWNHCGJRSA-ZBFHGGJFSA-N 2 2 327.831 2.470 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580323977 324040965 /nfs/dbraw/zinc/04/09/65/324040965.db2.gz RUMDJWNHCGJRSA-ZBFHGGJFSA-N 2 2 327.831 2.470 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2ccccc2)CC1 ZINC000580572592 324091332 /nfs/dbraw/zinc/09/13/32/324091332.db2.gz WRHVHRABGXGZFA-UHFFFAOYSA-N 2 2 328.460 2.288 10 0 EEAELP Cc1nc(NCc2ccccc2C[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000532272847 448223284 /nfs/dbraw/zinc/22/32/84/448223284.db2.gz TWRRTIIDGCFGIH-UHFFFAOYSA-N 2 2 326.448 2.454 10 0 EEAELP Cc1nc(N(C)C)nc(NCc2ccccc2C[NH+]2CCCC2)[nH+]1 ZINC000532272847 448223289 /nfs/dbraw/zinc/22/32/89/448223289.db2.gz TWRRTIIDGCFGIH-UHFFFAOYSA-N 2 2 326.448 2.454 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529366211 448842856 /nfs/dbraw/zinc/84/28/56/448842856.db2.gz JEPVMBYLZGOJIQ-GJZGRUSLSA-N 2 2 348.495 2.089 10 0 EEAELP CCOC(=O)CCc1cc(NCCCn2cc[nH+]c2C)nc(C)[nH+]1 ZINC000601118549 449700038 /nfs/dbraw/zinc/70/00/38/449700038.db2.gz DQUHLESYMYAEFG-UHFFFAOYSA-N 2 2 331.420 2.288 10 0 EEAELP Cc1nc(N2CC[N@H+](Cc3ccccc3)[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631396321 451723657 /nfs/dbraw/zinc/72/36/57/451723657.db2.gz PKDMOKCCFAUQOM-INIZCTEOSA-N 2 2 326.448 2.109 10 0 EEAELP Cc1nc(N2CC[N@@H+](Cc3ccccc3)[C@H](C(C)C)C2)nc(N)[nH+]1 ZINC000631396321 451723660 /nfs/dbraw/zinc/72/36/60/451723660.db2.gz PKDMOKCCFAUQOM-INIZCTEOSA-N 2 2 326.448 2.109 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000060954653 462570788 /nfs/dbraw/zinc/57/07/88/462570788.db2.gz KPVRLRLPXCZKRL-KRWDZBQOSA-N 2 2 341.459 2.250 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045371433 462581214 /nfs/dbraw/zinc/58/12/14/462581214.db2.gz FDQJKCHZGLUXFW-INIZCTEOSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000045371433 462581219 /nfs/dbraw/zinc/58/12/19/462581219.db2.gz FDQJKCHZGLUXFW-INIZCTEOSA-N 2 2 345.491 2.355 10 0 EEAELP CN(CC1CC1)C(=O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481022 462654081 /nfs/dbraw/zinc/65/40/81/462654081.db2.gz IYRKUPQPZAHXEJ-UHFFFAOYSA-N 2 2 329.488 2.451 10 0 EEAELP CN(CC1CC1)C(=O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481022 462654086 /nfs/dbraw/zinc/65/40/86/462654086.db2.gz IYRKUPQPZAHXEJ-UHFFFAOYSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(Br)c1 ZINC000095981670 463125607 /nfs/dbraw/zinc/12/56/07/463125607.db2.gz UKECZRXNVZHQCI-BBRMVZONSA-N 2 2 340.309 2.388 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(Br)c1 ZINC000095981670 463125610 /nfs/dbraw/zinc/12/56/10/463125610.db2.gz UKECZRXNVZHQCI-BBRMVZONSA-N 2 2 340.309 2.388 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(COC)cc2)[C@H](C)C1 ZINC000079461923 463217065 /nfs/dbraw/zinc/21/70/65/463217065.db2.gz OOIUTKRTZIXFHO-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(COC)cc2)[C@H](C)C1 ZINC000079461923 463217069 /nfs/dbraw/zinc/21/70/69/463217069.db2.gz OOIUTKRTZIXFHO-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(COC)cc2)[C@H](C)C1 ZINC000079461923 463217072 /nfs/dbraw/zinc/21/70/72/463217072.db2.gz OOIUTKRTZIXFHO-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(COC)cc2)[C@H](C)C1 ZINC000079461923 463217074 /nfs/dbraw/zinc/21/70/74/463217074.db2.gz OOIUTKRTZIXFHO-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000136857408 463262045 /nfs/dbraw/zinc/26/20/45/463262045.db2.gz CEPWUCCCWWWYBS-QGZVFWFLSA-N 2 2 347.507 2.260 10 0 EEAELP COc1ccccc1[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[NH+]1CCCC1 ZINC000553177971 468353344 /nfs/dbraw/zinc/35/33/44/468353344.db2.gz XFMFUFKNOKREPQ-QGZVFWFLSA-N 2 2 345.487 2.290 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccc(F)cc2)[C@H](C)C1 ZINC000081095758 463394656 /nfs/dbraw/zinc/39/46/56/463394656.db2.gz PPCQOADAABCIPK-QAPCUYQASA-N 2 2 335.467 2.147 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccc(F)cc2)[C@H](C)C1 ZINC000081095758 463394661 /nfs/dbraw/zinc/39/46/61/463394661.db2.gz PPCQOADAABCIPK-QAPCUYQASA-N 2 2 335.467 2.147 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2ccc(F)cc2)[C@H](C)C1 ZINC000081095758 463394664 /nfs/dbraw/zinc/39/46/64/463394664.db2.gz PPCQOADAABCIPK-QAPCUYQASA-N 2 2 335.467 2.147 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccc(F)cc2)[C@H](C)C1 ZINC000081095758 463394670 /nfs/dbraw/zinc/39/46/70/463394670.db2.gz PPCQOADAABCIPK-QAPCUYQASA-N 2 2 335.467 2.147 10 0 EEAELP Cc1cc(N2CCN(C(=O)[C@H](C)n3cc[nH+]c3)CC2)nc(C(C)C)[nH+]1 ZINC000040553388 463461769 /nfs/dbraw/zinc/46/17/69/463461769.db2.gz ZPRXJQJHDRRFED-HNNXBMFYSA-N 2 2 342.447 2.015 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000057815632 463520786 /nfs/dbraw/zinc/52/07/86/463520786.db2.gz MXOQEYPHCFIEMV-CVEARBPZSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000057815632 463520788 /nfs/dbraw/zinc/52/07/88/463520788.db2.gz MXOQEYPHCFIEMV-CVEARBPZSA-N 2 2 345.422 2.042 10 0 EEAELP CCc1ccc([C@H](C[NH2+]C[C@H]2CNc3ccnn3C2)[NH+](C)C)cc1 ZINC000058296347 463573242 /nfs/dbraw/zinc/57/32/42/463573242.db2.gz MRFDXFKQHUZTGJ-WMZOPIPTSA-N 2 2 327.476 2.380 10 0 EEAELP COc1c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c(C(C)C)nn1C ZINC000058391824 463589837 /nfs/dbraw/zinc/58/98/37/463589837.db2.gz DNZUZATVXBNUGI-UHFFFAOYSA-N 2 2 340.431 2.423 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000073485608 463616312 /nfs/dbraw/zinc/61/63/12/463616312.db2.gz KCUVIUOSOPAVHK-QGZVFWFLSA-N 2 2 341.459 2.097 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000073642595 463637404 /nfs/dbraw/zinc/63/74/04/463637404.db2.gz UIXFDJPNKXFLRC-UHFFFAOYSA-N 2 2 341.459 2.400 10 0 EEAELP Cn1cc(-c2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)on2)cn1 ZINC000185011583 463735787 /nfs/dbraw/zinc/73/57/87/463735787.db2.gz XEORIARPVPHNMG-OAHLLOKOSA-N 2 2 329.448 2.383 10 0 EEAELP Cn1cc(-c2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)on2)cn1 ZINC000185011583 463735791 /nfs/dbraw/zinc/73/57/91/463735791.db2.gz XEORIARPVPHNMG-OAHLLOKOSA-N 2 2 329.448 2.383 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000268883914 463793932 /nfs/dbraw/zinc/79/39/32/463793932.db2.gz YNQMAQDLWOWRNI-HMXCVIKNSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000268883914 463793938 /nfs/dbraw/zinc/79/39/38/463793938.db2.gz YNQMAQDLWOWRNI-HMXCVIKNSA-N 3 2 345.531 2.333 10 0 EEAELP CC(C)Cc1nnc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000268912489 463806168 /nfs/dbraw/zinc/80/61/68/463806168.db2.gz ODVIEBLXYTZILK-UHFFFAOYSA-N 2 2 348.476 2.278 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000177982473 463822889 /nfs/dbraw/zinc/82/28/89/463822889.db2.gz XIVXUQBWQXAFBV-GOSISDBHSA-N 2 2 348.466 2.137 10 0 EEAELP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261968876 463913752 /nfs/dbraw/zinc/91/37/52/463913752.db2.gz QJHLMODRRWIPJM-XRXFAXGQSA-N 2 2 343.515 2.398 10 0 EEAELP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261968876 463913758 /nfs/dbraw/zinc/91/37/58/463913758.db2.gz QJHLMODRRWIPJM-XRXFAXGQSA-N 2 2 343.515 2.398 10 0 EEAELP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000186357408 463983491 /nfs/dbraw/zinc/98/34/91/463983491.db2.gz MNPWQTABGGXXDC-UHFFFAOYSA-N 2 2 348.422 2.087 10 0 EEAELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccnn2-c2ccccc2)C[C@H](C)O1 ZINC000279033294 464026449 /nfs/dbraw/zinc/02/64/49/464026449.db2.gz BQTYOKUHKLYVRS-CALCHBBNSA-N 2 2 328.460 2.461 10 0 EEAELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccnn2-c2ccccc2)C[C@H](C)O1 ZINC000279033294 464026455 /nfs/dbraw/zinc/02/64/55/464026455.db2.gz BQTYOKUHKLYVRS-CALCHBBNSA-N 2 2 328.460 2.461 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263194726 464061062 /nfs/dbraw/zinc/06/10/62/464061062.db2.gz IHOLTLVFRSAVCO-CJNGLKHVSA-N 2 2 337.414 2.325 10 0 EEAELP CC(C)CN(C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000195515984 464063105 /nfs/dbraw/zinc/06/31/05/464063105.db2.gz SMANNYFEEMSLBS-MRXNPFEDSA-N 2 2 330.476 2.462 10 0 EEAELP CC(C)CN(C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000195515984 464063112 /nfs/dbraw/zinc/06/31/12/464063112.db2.gz SMANNYFEEMSLBS-MRXNPFEDSA-N 2 2 330.476 2.462 10 0 EEAELP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)no1 ZINC000284002205 464064527 /nfs/dbraw/zinc/06/45/27/464064527.db2.gz JTPMCAFEEKRJTJ-YJBOKZPZSA-N 2 2 328.416 2.347 10 0 EEAELP Cc1cc(NC(=O)CC[NH2+][C@H]2CC[N@H+](C)[C@H]2c2ccccc2)no1 ZINC000284002205 464064533 /nfs/dbraw/zinc/06/45/33/464064533.db2.gz JTPMCAFEEKRJTJ-YJBOKZPZSA-N 2 2 328.416 2.347 10 0 EEAELP CC[N@@H+]1CC[C@@H](CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000279792334 464148619 /nfs/dbraw/zinc/14/86/19/464148619.db2.gz CRDUXOVERRDVSZ-LBPRGKRZSA-N 2 2 336.386 2.081 10 0 EEAELP CC[N@H+]1CC[C@@H](CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000279792334 464148623 /nfs/dbraw/zinc/14/86/23/464148623.db2.gz CRDUXOVERRDVSZ-LBPRGKRZSA-N 2 2 336.386 2.081 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173527208 464277723 /nfs/dbraw/zinc/27/77/23/464277723.db2.gz RRFDKFLYRGCRGL-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173527208 464277725 /nfs/dbraw/zinc/27/77/25/464277725.db2.gz RRFDKFLYRGCRGL-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173527208 464277731 /nfs/dbraw/zinc/27/77/31/464277731.db2.gz RRFDKFLYRGCRGL-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000173527208 464277734 /nfs/dbraw/zinc/27/77/34/464277734.db2.gz RRFDKFLYRGCRGL-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271458801 464317788 /nfs/dbraw/zinc/31/77/88/464317788.db2.gz JUYZFSDHPXSOJT-SOLBZPMBSA-N 2 2 338.517 2.310 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271458801 464317792 /nfs/dbraw/zinc/31/77/92/464317792.db2.gz JUYZFSDHPXSOJT-SOLBZPMBSA-N 2 2 338.517 2.310 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(COC)c2)nc[nH+]1 ZINC000174360336 464398895 /nfs/dbraw/zinc/39/88/95/464398895.db2.gz DMIWPZBWRHHSGO-KRWDZBQOSA-N 2 2 341.459 2.423 10 0 EEAELP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000237944683 464409180 /nfs/dbraw/zinc/40/91/80/464409180.db2.gz IVLQJMDNXKTHNB-MGPQQGTHSA-N 2 2 337.414 2.173 10 0 EEAELP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000237944683 464409182 /nfs/dbraw/zinc/40/91/82/464409182.db2.gz IVLQJMDNXKTHNB-MGPQQGTHSA-N 2 2 337.414 2.173 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265512132 464587015 /nfs/dbraw/zinc/58/70/15/464587015.db2.gz RENVKUTXHQRNOV-ZDUSSCGKSA-N 2 2 330.407 2.433 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000246999787 464640807 /nfs/dbraw/zinc/64/08/07/464640807.db2.gz KWFCBYPQNAOLQT-GOEBONIOSA-N 2 2 347.459 2.058 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000246999787 464640814 /nfs/dbraw/zinc/64/08/14/464640814.db2.gz KWFCBYPQNAOLQT-GOEBONIOSA-N 2 2 347.459 2.058 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000246999787 464640822 /nfs/dbraw/zinc/64/08/22/464640822.db2.gz KWFCBYPQNAOLQT-GOEBONIOSA-N 2 2 347.459 2.058 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000246999787 464640827 /nfs/dbraw/zinc/64/08/27/464640827.db2.gz KWFCBYPQNAOLQT-GOEBONIOSA-N 2 2 347.459 2.058 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)no1 ZINC000281994806 464661598 /nfs/dbraw/zinc/66/15/98/464661598.db2.gz IKHRWTWWZKOPJC-CQSZACIVSA-N 2 2 343.431 2.334 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)no1 ZINC000281994806 464661602 /nfs/dbraw/zinc/66/16/02/464661602.db2.gz IKHRWTWWZKOPJC-CQSZACIVSA-N 2 2 343.431 2.334 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000183075070 464790744 /nfs/dbraw/zinc/79/07/44/464790744.db2.gz JOXQRCXKWOPETE-CVEARBPZSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000183075070 464790748 /nfs/dbraw/zinc/79/07/48/464790748.db2.gz JOXQRCXKWOPETE-CVEARBPZSA-N 2 2 333.480 2.165 10 0 EEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1[nH+]ccn1CC(C)C ZINC000176547450 464798554 /nfs/dbraw/zinc/79/85/54/464798554.db2.gz CFJSIIDEIIFIOT-CVEARBPZSA-N 2 2 333.480 2.307 10 0 EEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1[nH+]ccn1CC(C)C ZINC000176547450 464798559 /nfs/dbraw/zinc/79/85/59/464798559.db2.gz CFJSIIDEIIFIOT-CVEARBPZSA-N 2 2 333.480 2.307 10 0 EEAELP Cc1cc(F)cc2[nH]c(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)cc21 ZINC000177141509 464942072 /nfs/dbraw/zinc/94/20/72/464942072.db2.gz RYOFBGBYTJURNI-UHFFFAOYSA-N 2 2 346.450 2.371 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000192776293 464994438 /nfs/dbraw/zinc/99/44/38/464994438.db2.gz KYYDJZYHXUOEAP-SJORKVTESA-N 2 2 335.467 2.225 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000192776293 464994443 /nfs/dbraw/zinc/99/44/43/464994443.db2.gz KYYDJZYHXUOEAP-SJORKVTESA-N 2 2 335.467 2.225 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000360290788 465554515 /nfs/dbraw/zinc/55/45/15/465554515.db2.gz HKYBSLVYDQUINP-FGTMMUONSA-N 2 2 349.519 2.105 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000360290788 465554520 /nfs/dbraw/zinc/55/45/20/465554520.db2.gz HKYBSLVYDQUINP-FGTMMUONSA-N 2 2 349.519 2.105 10 0 EEAELP CCN1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C(C)(C)C1=O ZINC000548640311 468443651 /nfs/dbraw/zinc/44/36/51/468443651.db2.gz NKTVBGNPISBNGH-UHFFFAOYSA-N 2 2 327.432 2.018 10 0 EEAELP CCN1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C(C)(C)C1=O ZINC000548640311 468443655 /nfs/dbraw/zinc/44/36/55/468443655.db2.gz NKTVBGNPISBNGH-UHFFFAOYSA-N 2 2 327.432 2.018 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCCC[C@@H]1S(C)(=O)=O)CCC2 ZINC000371556088 465871906 /nfs/dbraw/zinc/87/19/06/465871906.db2.gz WPFXQCGTNVRJRS-KKUMJFAQSA-N 2 2 325.478 2.014 10 0 EEAELP Cc1nc(C2CC2)oc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000371893206 466056145 /nfs/dbraw/zinc/05/61/45/466056145.db2.gz FBJNYFDXEIPJSH-INIZCTEOSA-N 2 2 346.475 2.101 10 0 EEAELP Cc1nc(C2CC2)oc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000371893206 466056151 /nfs/dbraw/zinc/05/61/51/466056151.db2.gz FBJNYFDXEIPJSH-INIZCTEOSA-N 2 2 346.475 2.101 10 0 EEAELP CCn1nc(C)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC000349420838 466103377 /nfs/dbraw/zinc/10/33/77/466103377.db2.gz SDRGGHQUSFNCRN-DFNIBXOVSA-N 2 2 345.535 2.263 10 0 EEAELP CCn1nc(C)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1C ZINC000349420838 466103386 /nfs/dbraw/zinc/10/33/86/466103386.db2.gz SDRGGHQUSFNCRN-DFNIBXOVSA-N 2 2 345.535 2.263 10 0 EEAELP COc1cc(F)c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000361887369 466380924 /nfs/dbraw/zinc/38/09/24/466380924.db2.gz OKMHRCWSOPYLMD-KGLIPLIRSA-N 2 2 340.439 2.462 10 0 EEAELP CN(C)c1nc(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc[nH+]1 ZINC000354352676 466499280 /nfs/dbraw/zinc/49/92/80/466499280.db2.gz IWCRLSUMGAPKRL-ZDUSSCGKSA-N 2 2 347.413 2.897 10 0 EEAELP CN(C)c1nc(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc[nH+]1 ZINC000354352676 466499285 /nfs/dbraw/zinc/49/92/85/466499285.db2.gz IWCRLSUMGAPKRL-ZDUSSCGKSA-N 2 2 347.413 2.897 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358188763 466525108 /nfs/dbraw/zinc/52/51/08/466525108.db2.gz BWDZYNWMVGTUDC-UHFFFAOYSA-N 2 2 341.459 2.296 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000358188763 466525119 /nfs/dbraw/zinc/52/51/19/466525119.db2.gz BWDZYNWMVGTUDC-UHFFFAOYSA-N 2 2 341.459 2.296 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000341098399 466581625 /nfs/dbraw/zinc/58/16/25/466581625.db2.gz KVXNUWZPYHLRRJ-HOTGVXAUSA-N 2 2 343.475 2.439 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n(-c2ccccc2)n1 ZINC000657751129 471226602 /nfs/dbraw/zinc/22/66/02/471226602.db2.gz GBIHORKTWNLHCT-LJQANCHMSA-N 2 2 326.444 2.215 10 0 EEAELP CC[N@H+](CC(=O)N(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365512906 466843453 /nfs/dbraw/zinc/84/34/53/466843453.db2.gz ZBBGZYBXJGMARW-UHFFFAOYSA-N 2 2 347.507 2.287 10 0 EEAELP CC[N@@H+](CC(=O)N(C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365512906 466843457 /nfs/dbraw/zinc/84/34/57/466843457.db2.gz ZBBGZYBXJGMARW-UHFFFAOYSA-N 2 2 347.507 2.287 10 0 EEAELP Cc1c[nH]nc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365650749 466896433 /nfs/dbraw/zinc/89/64/33/466896433.db2.gz NZCWXOTZQXUKQA-UHFFFAOYSA-N 3 2 333.524 2.346 10 0 EEAELP Cc1c[nH]nc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365650749 466896440 /nfs/dbraw/zinc/89/64/40/466896440.db2.gz NZCWXOTZQXUKQA-UHFFFAOYSA-N 3 2 333.524 2.346 10 0 EEAELP Cc1cn[nH]c1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365650749 466896446 /nfs/dbraw/zinc/89/64/46/466896446.db2.gz NZCWXOTZQXUKQA-UHFFFAOYSA-N 3 2 333.524 2.346 10 0 EEAELP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000417924388 466987594 /nfs/dbraw/zinc/98/75/94/466987594.db2.gz MEPAMANREBPZGX-WMLDXEAASA-N 2 2 339.443 2.179 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418388535 467103968 /nfs/dbraw/zinc/10/39/68/467103968.db2.gz SMKYPUYHBGUYIE-ZIAGYGMSSA-N 2 2 336.867 2.090 10 0 EEAELP Cn1ncc(Br)c1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000425970973 467138832 /nfs/dbraw/zinc/13/88/32/467138832.db2.gz LANQVNQVQBWYBR-UHFFFAOYSA-N 2 2 327.270 2.243 10 0 EEAELP Cn1ncc(Br)c1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000425970973 467138834 /nfs/dbraw/zinc/13/88/34/467138834.db2.gz LANQVNQVQBWYBR-UHFFFAOYSA-N 2 2 327.270 2.243 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000377977406 467174667 /nfs/dbraw/zinc/17/46/67/467174667.db2.gz MSDQSEAMDSJFDF-CRAIPNDOSA-N 2 2 341.459 2.178 10 0 EEAELP Cn1cc[nH+]c1CN1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000428272353 467217782 /nfs/dbraw/zinc/21/77/82/467217782.db2.gz TWZGDGJZOMVQRM-UHFFFAOYSA-N 2 2 340.471 2.105 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCc1ccc(Cl)cc1 ZINC000390943446 467417552 /nfs/dbraw/zinc/41/75/52/467417552.db2.gz LEKVJLIFIPXJLK-DOTOQJQBSA-N 2 2 335.879 2.420 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCc1ccc(Cl)cc1 ZINC000390943446 467417556 /nfs/dbraw/zinc/41/75/56/467417556.db2.gz LEKVJLIFIPXJLK-DOTOQJQBSA-N 2 2 335.879 2.420 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC000391954295 467423401 /nfs/dbraw/zinc/42/34/01/467423401.db2.gz VLSKJGJUBJKSBR-RBUKOAKNSA-N 2 2 327.472 2.035 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC000391954295 467423403 /nfs/dbraw/zinc/42/34/03/467423403.db2.gz VLSKJGJUBJKSBR-RBUKOAKNSA-N 2 2 327.472 2.035 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+]C(C)(C)CCNC(=O)OC(C)(C)C)n1C ZINC000397408960 467441237 /nfs/dbraw/zinc/44/12/37/467441237.db2.gz QLJCQOBQHRAWSX-UHFFFAOYSA-N 2 2 339.484 2.269 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277673 467476388 /nfs/dbraw/zinc/47/63/88/467476388.db2.gz YGPQXQIMWPUONW-HKUYNNGSSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277673 467476392 /nfs/dbraw/zinc/47/63/92/467476392.db2.gz YGPQXQIMWPUONW-HKUYNNGSSA-N 3 2 349.519 2.124 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000454315836 467584012 /nfs/dbraw/zinc/58/40/12/467584012.db2.gz HCOGWWXQHHCOPJ-HOTGVXAUSA-N 2 2 335.496 2.460 10 0 EEAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449390189 467636414 /nfs/dbraw/zinc/63/64/14/467636414.db2.gz GDTNYYISADMULP-QGZVFWFLSA-N 2 2 344.459 2.022 10 0 EEAELP COc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000449390189 467636415 /nfs/dbraw/zinc/63/64/15/467636415.db2.gz GDTNYYISADMULP-QGZVFWFLSA-N 2 2 344.459 2.022 10 0 EEAELP COc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1OC(C)C ZINC000449393571 467637186 /nfs/dbraw/zinc/63/71/86/467637186.db2.gz MBYRXIJTFJCYTD-QGZVFWFLSA-N 2 2 336.476 2.419 10 0 EEAELP COc1cccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1OC(C)C ZINC000449393571 467637188 /nfs/dbraw/zinc/63/71/88/467637188.db2.gz MBYRXIJTFJCYTD-QGZVFWFLSA-N 2 2 336.476 2.419 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000449395422 467638471 /nfs/dbraw/zinc/63/84/71/467638471.db2.gz PXSHZUXRECDCQC-GOSISDBHSA-N 2 2 348.878 2.462 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000449395422 467638473 /nfs/dbraw/zinc/63/84/73/467638473.db2.gz PXSHZUXRECDCQC-GOSISDBHSA-N 2 2 348.878 2.462 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000449398322 467638874 /nfs/dbraw/zinc/63/88/74/467638874.db2.gz XTAWNGMATXKGJF-OAHLLOKOSA-N 2 2 328.403 2.267 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000449398322 467638877 /nfs/dbraw/zinc/63/88/77/467638877.db2.gz XTAWNGMATXKGJF-OAHLLOKOSA-N 2 2 328.403 2.267 10 0 EEAELP CC[NH+](CC)Cc1ccc(CNC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000457540913 467646917 /nfs/dbraw/zinc/64/69/17/467646917.db2.gz ZWCQLKPDDINSMS-UHFFFAOYSA-N 2 2 343.475 2.304 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000529503605 467872657 /nfs/dbraw/zinc/87/26/57/467872657.db2.gz HKZAHHNMRUIYHL-UHFFFAOYSA-N 2 2 333.461 2.443 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000529503605 467872661 /nfs/dbraw/zinc/87/26/61/467872661.db2.gz HKZAHHNMRUIYHL-UHFFFAOYSA-N 2 2 333.461 2.443 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530219697 467964421 /nfs/dbraw/zinc/96/44/21/467964421.db2.gz MRODLSDKJUVZPO-BBRMVZONSA-N 2 2 337.489 2.383 10 0 EEAELP CCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000516615738 468037277 /nfs/dbraw/zinc/03/72/77/468037277.db2.gz MBQHHUIYHVXVOA-UHFFFAOYSA-N 2 2 341.459 2.295 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567889724 468231899 /nfs/dbraw/zinc/23/18/99/468231899.db2.gz NFFQDBIYYQYRFO-KUHUBIRLSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567889724 468231902 /nfs/dbraw/zinc/23/19/02/468231902.db2.gz NFFQDBIYYQYRFO-KUHUBIRLSA-N 2 2 344.459 2.048 10 0 EEAELP O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000569898940 468558746 /nfs/dbraw/zinc/55/87/46/468558746.db2.gz GCLNXWAVGSMINB-UNEWFSDZSA-N 2 2 333.457 2.296 10 0 EEAELP O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000569898940 468558748 /nfs/dbraw/zinc/55/87/48/468558748.db2.gz GCLNXWAVGSMINB-UNEWFSDZSA-N 2 2 333.457 2.296 10 0 EEAELP COc1nccc(C[NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)n1 ZINC000571153242 468746769 /nfs/dbraw/zinc/74/67/69/468746769.db2.gz SVRKAQRROLOZIM-UHFFFAOYSA-N 2 2 344.381 2.380 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1C ZINC000601333129 468829914 /nfs/dbraw/zinc/82/99/14/468829914.db2.gz ARWMSVPXKWQCDY-RDJZCZTQSA-N 2 2 344.459 2.025 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1C ZINC000601333129 468829918 /nfs/dbraw/zinc/82/99/18/468829918.db2.gz ARWMSVPXKWQCDY-RDJZCZTQSA-N 2 2 344.459 2.025 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000561060520 468861692 /nfs/dbraw/zinc/86/16/92/468861692.db2.gz NEXSBQZWHFIBGK-UHFFFAOYSA-N 2 2 330.363 2.197 10 0 EEAELP CN(CCC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1cc[nH+]cc1 ZINC000561497613 468897851 /nfs/dbraw/zinc/89/78/51/468897851.db2.gz QJWALZIJDFTLMO-UHFFFAOYSA-N 2 2 349.438 2.469 10 0 EEAELP CN1C(=O)C[C@@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562338652 468938796 /nfs/dbraw/zinc/93/87/96/468938796.db2.gz SHGOGUIGROLPAZ-ZBFHGGJFSA-N 2 2 336.798 2.237 10 0 EEAELP C[NH+]1CCC(CNC(=O)C2(C)CCC(=O)CC2)([NH+]2CCCCC2)CC1 ZINC000562526929 468979402 /nfs/dbraw/zinc/97/94/02/468979402.db2.gz WXSOMGZRVPGSQU-UHFFFAOYSA-N 2 2 349.519 2.202 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000610538558 468997386 /nfs/dbraw/zinc/99/73/86/468997386.db2.gz CTVBXNHHWAWTOS-ROUUACIJSA-N 2 2 348.487 2.143 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000610538558 468997395 /nfs/dbraw/zinc/99/73/95/468997395.db2.gz CTVBXNHHWAWTOS-ROUUACIJSA-N 2 2 348.487 2.143 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000610538558 468997406 /nfs/dbraw/zinc/99/74/06/468997406.db2.gz CTVBXNHHWAWTOS-ROUUACIJSA-N 2 2 348.487 2.143 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000610538558 468997414 /nfs/dbraw/zinc/99/74/14/468997414.db2.gz CTVBXNHHWAWTOS-ROUUACIJSA-N 2 2 348.487 2.143 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573207422 469083775 /nfs/dbraw/zinc/08/37/75/469083775.db2.gz VFCMEWLFXWTJBE-OXJNMPFZSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573207422 469083778 /nfs/dbraw/zinc/08/37/78/469083778.db2.gz VFCMEWLFXWTJBE-OXJNMPFZSA-N 2 2 327.472 2.430 10 0 EEAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N1CC(C[NH+](C)C)C1 ZINC000615502564 469250010 /nfs/dbraw/zinc/25/00/10/469250010.db2.gz BNOVGPYJPFTHGV-UHFFFAOYSA-N 2 2 328.460 2.399 10 0 EEAELP COc1ccc([C@H](CNc2nc(C)[nH+]cc2C)[NH+](C)C)cc1OC ZINC000574291480 469272111 /nfs/dbraw/zinc/27/21/11/469272111.db2.gz WCMMLBWSETZSPF-HNNXBMFYSA-N 2 2 330.432 2.825 10 0 EEAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000616238793 469404084 /nfs/dbraw/zinc/40/40/84/469404084.db2.gz WMGHWSJTYNHUAF-CQSZACIVSA-N 2 2 332.473 2.167 10 0 EEAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000616238793 469404093 /nfs/dbraw/zinc/40/40/93/469404093.db2.gz WMGHWSJTYNHUAF-CQSZACIVSA-N 2 2 332.473 2.167 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604165416 469460856 /nfs/dbraw/zinc/46/08/56/469460856.db2.gz DHFYTKBGRWTAMK-LBPRGKRZSA-N 2 2 333.823 2.024 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604165416 469460859 /nfs/dbraw/zinc/46/08/59/469460859.db2.gz DHFYTKBGRWTAMK-LBPRGKRZSA-N 2 2 333.823 2.024 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](CCCC(=O)NCC(C)C)CC1 ZINC000626089240 469499081 /nfs/dbraw/zinc/49/90/81/469499081.db2.gz HSBBMBKQFBUQHQ-UHFFFAOYSA-N 2 2 339.524 2.116 10 0 EEAELP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(F)(F)F ZINC000626270061 469560090 /nfs/dbraw/zinc/56/00/90/469560090.db2.gz MOJJOMXWYHKRQQ-RDGKXADDSA-N 2 2 347.425 2.344 10 0 EEAELP C[C@@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(F)(F)F ZINC000626270061 469560094 /nfs/dbraw/zinc/56/00/94/469560094.db2.gz MOJJOMXWYHKRQQ-RDGKXADDSA-N 2 2 347.425 2.344 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000629605042 469590383 /nfs/dbraw/zinc/59/03/83/469590383.db2.gz YMCFLSZKOGKWPG-MOPGFXCFSA-N 2 2 346.471 2.235 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000629605042 469590388 /nfs/dbraw/zinc/59/03/88/469590388.db2.gz YMCFLSZKOGKWPG-MOPGFXCFSA-N 2 2 346.471 2.235 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000623362529 469635374 /nfs/dbraw/zinc/63/53/74/469635374.db2.gz XNQUDJBIXHCQTN-LJQANCHMSA-N 2 2 331.504 2.481 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000623362529 469635379 /nfs/dbraw/zinc/63/53/79/469635379.db2.gz XNQUDJBIXHCQTN-LJQANCHMSA-N 2 2 331.504 2.481 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccc[nH+]c1N1CCCC1 ZINC000617484600 469692791 /nfs/dbraw/zinc/69/27/91/469692791.db2.gz CPWJUDAPBZMBJM-UHFFFAOYSA-N 2 2 339.443 2.074 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)CCCC2=O ZINC000617507822 469707473 /nfs/dbraw/zinc/70/74/73/469707473.db2.gz KGCXHBBNWUIAML-HNNXBMFYSA-N 2 2 345.487 2.207 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)CCCC2=O ZINC000617507822 469707480 /nfs/dbraw/zinc/70/74/80/469707480.db2.gz KGCXHBBNWUIAML-HNNXBMFYSA-N 2 2 345.487 2.207 10 0 EEAELP CSc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000617765713 469795801 /nfs/dbraw/zinc/79/58/01/469795801.db2.gz NASYUTVOTIDQRJ-UHFFFAOYSA-N 2 2 327.469 2.161 10 0 EEAELP CSc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000617765713 469795805 /nfs/dbraw/zinc/79/58/05/469795805.db2.gz NASYUTVOTIDQRJ-UHFFFAOYSA-N 2 2 327.469 2.161 10 0 EEAELP C[NH+](C)CCC[C@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CCO1 ZINC000624410956 469931673 /nfs/dbraw/zinc/93/16/73/469931673.db2.gz OKJNDAMWMQXFDO-HNNXBMFYSA-N 2 2 339.443 2.430 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000624547629 469974149 /nfs/dbraw/zinc/97/41/49/469974149.db2.gz PBEGJGUFKRYNFJ-ZBFHGGJFSA-N 2 2 332.492 2.381 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000624547629 469974151 /nfs/dbraw/zinc/97/41/51/469974151.db2.gz PBEGJGUFKRYNFJ-ZBFHGGJFSA-N 2 2 332.492 2.381 10 0 EEAELP Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c(C)[nH+]1 ZINC000627753970 469993364 /nfs/dbraw/zinc/99/33/64/469993364.db2.gz IJTDXVJCOWONCV-MRXNPFEDSA-N 2 2 344.459 2.160 10 0 EEAELP Cc1ncc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000628272051 470083301 /nfs/dbraw/zinc/08/33/01/470083301.db2.gz AWXZAAJSLHDENY-LJQANCHMSA-N 2 2 340.471 2.375 10 0 EEAELP Cc1ncc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000628272051 470083304 /nfs/dbraw/zinc/08/33/04/470083304.db2.gz AWXZAAJSLHDENY-LJQANCHMSA-N 2 2 340.471 2.375 10 0 EEAELP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631170130 470084747 /nfs/dbraw/zinc/08/47/47/470084747.db2.gz XNEBDSFIRYJRHD-DLBZAZTESA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631170130 470084751 /nfs/dbraw/zinc/08/47/51/470084751.db2.gz XNEBDSFIRYJRHD-DLBZAZTESA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N)nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000631170130 470084754 /nfs/dbraw/zinc/08/47/54/470084754.db2.gz XNEBDSFIRYJRHD-DLBZAZTESA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N)nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000631170130 470084757 /nfs/dbraw/zinc/08/47/57/470084757.db2.gz XNEBDSFIRYJRHD-DLBZAZTESA-N 2 2 338.459 2.253 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000631180536 470087589 /nfs/dbraw/zinc/08/75/89/470087589.db2.gz FALSIQGDUKTJHC-IBGZPJMESA-N 2 2 348.487 2.304 10 0 EEAELP COc1cncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000625379713 470131373 /nfs/dbraw/zinc/13/13/73/470131373.db2.gz BYHAQLHGXQCKTE-UHFFFAOYSA-N 2 2 327.432 2.398 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC000625522230 470159905 /nfs/dbraw/zinc/15/99/05/470159905.db2.gz LWZIIGVOECXCNX-NSHDSACASA-N 2 2 327.375 2.116 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC000625522230 470159907 /nfs/dbraw/zinc/15/99/07/470159907.db2.gz LWZIIGVOECXCNX-NSHDSACASA-N 2 2 327.375 2.116 10 0 EEAELP c1cnn(-c2cccc(C[NH+]3CCC([NH+]4CCOCC4)CC3)c2)c1 ZINC000625547837 470163318 /nfs/dbraw/zinc/16/33/18/470163318.db2.gz RGRHPWRAMDIILQ-UHFFFAOYSA-N 2 2 326.444 2.169 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC1(c2ccccc2)CCC1 ZINC000631886460 470189386 /nfs/dbraw/zinc/18/93/86/470189386.db2.gz HTALGPVKKWQIRC-AEFFLSMTSA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC1(c2ccccc2)CCC1 ZINC000631886460 470189387 /nfs/dbraw/zinc/18/93/87/470189387.db2.gz HTALGPVKKWQIRC-AEFFLSMTSA-N 2 2 327.472 2.256 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887140 470189574 /nfs/dbraw/zinc/18/95/74/470189574.db2.gz MHWWXPSWWZNENX-MJGOQNOKSA-N 2 2 345.487 2.166 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887140 470189575 /nfs/dbraw/zinc/18/95/75/470189575.db2.gz MHWWXPSWWZNENX-MJGOQNOKSA-N 2 2 345.487 2.166 10 0 EEAELP Cc1ccc(CCC(=O)Nc2cc(N3CC[NH+](C)CC3)cc[nH+]2)o1 ZINC000634196439 470230532 /nfs/dbraw/zinc/23/05/32/470230532.db2.gz XBJXJXDRCQYVMH-UHFFFAOYSA-N 2 2 328.416 2.306 10 0 EEAELP CCc1ccc([C@H](C[NH2+]C[C@H](O)C[C@](C)(O)C2CC2)[NH+](C)C)cc1 ZINC000634636931 470272329 /nfs/dbraw/zinc/27/23/29/470272329.db2.gz MGGVDJWPUURHPA-AABGKKOBSA-N 2 2 334.504 2.353 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC000648791903 470350756 /nfs/dbraw/zinc/35/07/56/470350756.db2.gz OEQVCTCHYWEZLV-RHSMWYFYSA-N 2 2 335.517 2.295 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)s1 ZINC000648791903 470350758 /nfs/dbraw/zinc/35/07/58/470350758.db2.gz OEQVCTCHYWEZLV-RHSMWYFYSA-N 2 2 335.517 2.295 10 0 EEAELP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102424 470525563 /nfs/dbraw/zinc/52/55/63/470525563.db2.gz JMQRVFOVMSGFNY-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646102424 470525567 /nfs/dbraw/zinc/52/55/67/470525567.db2.gz JMQRVFOVMSGFNY-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000649560523 470628072 /nfs/dbraw/zinc/62/80/72/470628072.db2.gz PYKNYOVMYHMBOW-SFHVURJKSA-N 2 2 332.492 2.081 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000649560523 470628075 /nfs/dbraw/zinc/62/80/75/470628075.db2.gz PYKNYOVMYHMBOW-SFHVURJKSA-N 2 2 332.492 2.081 10 0 EEAELP O=C(C[N@@H+]1CCC12CCCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000649655844 470655992 /nfs/dbraw/zinc/65/59/92/470655992.db2.gz SOCIASGZJBNRPJ-UHFFFAOYSA-N 2 2 343.471 2.476 10 0 EEAELP O=C(C[N@H+]1CCC12CCCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000649655844 470655994 /nfs/dbraw/zinc/65/59/94/470655994.db2.gz SOCIASGZJBNRPJ-UHFFFAOYSA-N 2 2 343.471 2.476 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644548185 470979715 /nfs/dbraw/zinc/97/97/15/470979715.db2.gz SMLFMJCLJOHANY-UONOGXRCSA-N 2 2 332.366 2.129 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644548185 470979720 /nfs/dbraw/zinc/97/97/20/470979720.db2.gz SMLFMJCLJOHANY-UONOGXRCSA-N 2 2 332.366 2.129 10 0 EEAELP Cc1cc([N@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000644693792 471014302 /nfs/dbraw/zinc/01/43/02/471014302.db2.gz CTFMMOBIXIJNKS-HKUYNNGSSA-N 2 2 347.503 2.479 10 0 EEAELP Cc1cc([N@@H+]2CCCC[C@@H]2C)ccc1NC[C@H](O)C[NH+]1CCOCC1 ZINC000644693792 471014305 /nfs/dbraw/zinc/01/43/05/471014305.db2.gz CTFMMOBIXIJNKS-HKUYNNGSSA-N 2 2 347.503 2.479 10 0 EEAELP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651168251 471075037 /nfs/dbraw/zinc/07/50/37/471075037.db2.gz OIZGDKNMSJWZMW-OAHLLOKOSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651168251 471075046 /nfs/dbraw/zinc/07/50/46/471075046.db2.gz OIZGDKNMSJWZMW-OAHLLOKOSA-N 2 2 332.492 2.389 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCCCCNc1cccc[nH+]1 ZINC000651263460 471107928 /nfs/dbraw/zinc/10/79/28/471107928.db2.gz RFGTUSVXDXURMO-UHFFFAOYSA-N 2 2 327.432 2.165 10 0 EEAELP Nc1nc(NCc2cn3cc(Cl)ccc3[nH+]2)c2c([nH+]1)CCCC2 ZINC000645110605 471141102 /nfs/dbraw/zinc/14/11/02/471141102.db2.gz OWRQXPIFUPNEGE-UHFFFAOYSA-N 2 2 328.807 2.273 10 0 EEAELP CS(=O)(=O)CC1(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000657547949 471167846 /nfs/dbraw/zinc/16/78/46/471167846.db2.gz NFQJHVDCSDPEMU-UHFFFAOYSA-N 2 2 339.486 2.238 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000657573567 471172213 /nfs/dbraw/zinc/17/22/13/471172213.db2.gz QFOLUPAQRWDQDU-HNNXBMFYSA-N 3 2 335.521 2.295 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000641215598 471246211 /nfs/dbraw/zinc/24/62/11/471246211.db2.gz BANUIZJXEGWASZ-ARFHVFGLSA-N 2 2 345.491 2.378 10 0 EEAELP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000655153557 471274220 /nfs/dbraw/zinc/27/42/20/471274220.db2.gz CMDOWGVMGMJEHP-SFHVURJKSA-N 2 2 335.411 2.010 10 0 EEAELP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000655153557 471274223 /nfs/dbraw/zinc/27/42/23/471274223.db2.gz CMDOWGVMGMJEHP-SFHVURJKSA-N 2 2 335.411 2.010 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478912 471358969 /nfs/dbraw/zinc/35/89/69/471358969.db2.gz DGICDQMRLLWZGJ-SJLPKXTDSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478912 471358974 /nfs/dbraw/zinc/35/89/74/471358974.db2.gz DGICDQMRLLWZGJ-SJLPKXTDSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478912 471358977 /nfs/dbraw/zinc/35/89/77/471358977.db2.gz DGICDQMRLLWZGJ-SJLPKXTDSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478912 471358981 /nfs/dbraw/zinc/35/89/81/471358981.db2.gz DGICDQMRLLWZGJ-SJLPKXTDSA-N 3 2 334.508 2.100 10 0 EEAELP [NH3+][C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC[C@H]1F ZINC000658982419 471456806 /nfs/dbraw/zinc/45/68/06/471456806.db2.gz ZVOMXYBACLSQOX-CHWSQXEVSA-N 2 2 341.456 2.032 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c2[nH+]ccn21 ZINC000659044535 471487068 /nfs/dbraw/zinc/48/70/68/471487068.db2.gz ROKMYJIMUSPTFK-WQVCFCJDSA-N 2 2 341.415 2.372 10 0 EEAELP Cc1cccn2cc(CCNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)[nH+]c12 ZINC000669511793 471528809 /nfs/dbraw/zinc/52/88/09/471528809.db2.gz GWUCCAQKTZKICZ-FKEKPDDDSA-N 2 2 341.459 2.110 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925247 471553228 /nfs/dbraw/zinc/55/32/28/471553228.db2.gz AIFXQDNRVKXMHR-ZDUSSCGKSA-N 2 2 330.375 2.141 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925247 471553231 /nfs/dbraw/zinc/55/32/31/471553231.db2.gz AIFXQDNRVKXMHR-ZDUSSCGKSA-N 2 2 330.375 2.141 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925247 471553237 /nfs/dbraw/zinc/55/32/37/471553237.db2.gz AIFXQDNRVKXMHR-ZDUSSCGKSA-N 2 2 330.375 2.141 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925247 471553243 /nfs/dbraw/zinc/55/32/43/471553243.db2.gz AIFXQDNRVKXMHR-ZDUSSCGKSA-N 2 2 330.375 2.141 10 0 EEAELP COc1cc(C)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000666898394 471577820 /nfs/dbraw/zinc/57/78/20/471577820.db2.gz SXZJEHQDNBWDEO-UHFFFAOYSA-N 2 2 336.480 2.317 10 0 EEAELP COc1cc(C)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000666898394 471577824 /nfs/dbraw/zinc/57/78/24/471577824.db2.gz SXZJEHQDNBWDEO-UHFFFAOYSA-N 2 2 336.480 2.317 10 0 EEAELP CS(=O)(=O)CCCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694816 471593942 /nfs/dbraw/zinc/59/39/42/471593942.db2.gz SBSBSVJYRANPQW-OAHLLOKOSA-N 2 2 339.505 2.224 10 0 EEAELP CS(=O)(=O)CCCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694816 471593945 /nfs/dbraw/zinc/59/39/45/471593945.db2.gz SBSBSVJYRANPQW-OAHLLOKOSA-N 2 2 339.505 2.224 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000656122401 471596996 /nfs/dbraw/zinc/59/69/96/471596996.db2.gz VJKDEHMSHXZLGP-MRXNPFEDSA-N 2 2 346.523 2.151 10 0 EEAELP c1nc(N2CCC([N@@H+]3CCCOCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000664009564 471606846 /nfs/dbraw/zinc/60/68/46/471606846.db2.gz LSHQNGZMMKOMLG-UHFFFAOYSA-N 2 2 345.491 2.158 10 0 EEAELP c1nc(N2CCC([N@H+]3CCCOCC3)CC2)cc(N2CCCCC2)[nH+]1 ZINC000664009564 471606851 /nfs/dbraw/zinc/60/68/51/471606851.db2.gz LSHQNGZMMKOMLG-UHFFFAOYSA-N 2 2 345.491 2.158 10 0 EEAELP c1nc(N2CCCCC2)cc(N2CCC([N@H+]3CCCOCC3)CC2)[nH+]1 ZINC000664009564 471606861 /nfs/dbraw/zinc/60/68/61/471606861.db2.gz LSHQNGZMMKOMLG-UHFFFAOYSA-N 2 2 345.491 2.158 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)c2cc1OC ZINC000664021515 471612895 /nfs/dbraw/zinc/61/28/95/471612895.db2.gz JSIULIUPQVVKTG-ZIAGYGMSSA-N 2 2 345.443 2.143 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)c2cc1OC ZINC000664021515 471612901 /nfs/dbraw/zinc/61/29/01/471612901.db2.gz JSIULIUPQVVKTG-ZIAGYGMSSA-N 2 2 345.443 2.143 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000659428842 471621580 /nfs/dbraw/zinc/62/15/80/471621580.db2.gz GWCWKEZICKTNQD-CVEARBPZSA-N 2 2 329.448 2.182 10 0 EEAELP C[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210796 471635558 /nfs/dbraw/zinc/63/55/58/471635558.db2.gz JEKKOSVLYWZCQZ-HRCADAONSA-N 2 2 333.480 2.377 10 0 EEAELP C[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210796 471635563 /nfs/dbraw/zinc/63/55/63/471635563.db2.gz JEKKOSVLYWZCQZ-HRCADAONSA-N 2 2 333.480 2.377 10 0 EEAELP CC(C)[C@@H](CNC(=O)Nc1cc[nH+]cc1N(C)C)[NH+]1CCC(C)CC1 ZINC000670081467 471672729 /nfs/dbraw/zinc/67/27/29/471672729.db2.gz VVOQAXYBIXDNSQ-QGZVFWFLSA-N 2 2 347.507 2.448 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661353146 471726357 /nfs/dbraw/zinc/72/63/57/471726357.db2.gz ZMHXSMLPEFFVGX-UHFFFAOYSA-N 2 2 347.507 2.459 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000661353146 471726360 /nfs/dbraw/zinc/72/63/60/471726360.db2.gz ZMHXSMLPEFFVGX-UHFFFAOYSA-N 2 2 347.507 2.459 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+](C)Cc1oc2c(cccc2C)c1C ZINC000653778674 471739054 /nfs/dbraw/zinc/73/90/54/471739054.db2.gz CNLYSFSAFHPPDV-INIZCTEOSA-N 2 2 334.460 2.421 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+](C)Cc1oc2c(cccc2C)c1C ZINC000653778674 471739058 /nfs/dbraw/zinc/73/90/58/471739058.db2.gz CNLYSFSAFHPPDV-INIZCTEOSA-N 2 2 334.460 2.421 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC000653778674 471739064 /nfs/dbraw/zinc/73/90/64/471739064.db2.gz CNLYSFSAFHPPDV-INIZCTEOSA-N 2 2 334.460 2.421 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000653778674 471739067 /nfs/dbraw/zinc/73/90/67/471739067.db2.gz CNLYSFSAFHPPDV-INIZCTEOSA-N 2 2 334.460 2.421 10 0 EEAELP COCc1csc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000656709892 471816057 /nfs/dbraw/zinc/81/60/57/471816057.db2.gz RTLWOMMFRYHKBJ-SFHVURJKSA-N 2 2 346.496 2.403 10 0 EEAELP COCc1csc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000656709892 471816064 /nfs/dbraw/zinc/81/60/64/471816064.db2.gz RTLWOMMFRYHKBJ-SFHVURJKSA-N 2 2 346.496 2.403 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656712008 471817068 /nfs/dbraw/zinc/81/70/68/471817068.db2.gz QEXAOANKKRKKSS-SFHVURJKSA-N 2 2 342.487 2.270 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000656712008 471817071 /nfs/dbraw/zinc/81/70/71/471817071.db2.gz QEXAOANKKRKKSS-SFHVURJKSA-N 2 2 342.487 2.270 10 0 EEAELP CCn1cc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)cn1 ZINC000656790570 471840957 /nfs/dbraw/zinc/84/09/57/471840957.db2.gz AKOUHAWQTXYDMU-NVXWUHKLSA-N 2 2 332.423 2.286 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCCc2ccoc2)([NH+]2CCCCC2)CC1 ZINC000661769982 471878252 /nfs/dbraw/zinc/87/82/52/471878252.db2.gz ZGDMAAYEYSZUHM-UHFFFAOYSA-N 2 2 348.491 2.072 10 0 EEAELP O[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000661828187 471896501 /nfs/dbraw/zinc/89/65/01/471896501.db2.gz ROHNXFYTEHASJJ-RTBURBONSA-N 2 2 329.488 2.092 10 0 EEAELP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667774960 471899662 /nfs/dbraw/zinc/89/96/62/471899662.db2.gz XMTZBCGGNPNTDP-UYAOXDASSA-N 2 2 329.488 2.356 10 0 EEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH+]3CC[C@H]4COC[C@H]4C3)C2)cc1 ZINC000662034187 471965846 /nfs/dbraw/zinc/96/58/46/471965846.db2.gz MZJAPATXYLFSLV-ZCNNSNEGSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH+]3CC[C@H]4COC[C@H]4C3)C2)cc1 ZINC000662034187 471965852 /nfs/dbraw/zinc/96/58/52/471965852.db2.gz MZJAPATXYLFSLV-ZCNNSNEGSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@@H+]3CC[C@H]4COC[C@H]4C3)C2)cc1 ZINC000662034187 471965855 /nfs/dbraw/zinc/96/58/55/471965855.db2.gz MZJAPATXYLFSLV-ZCNNSNEGSA-N 2 2 330.472 2.246 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@H](C[N@H+]3CC[C@H]4COC[C@H]4C3)C2)cc1 ZINC000662034187 471965858 /nfs/dbraw/zinc/96/58/58/471965858.db2.gz MZJAPATXYLFSLV-ZCNNSNEGSA-N 2 2 330.472 2.246 10 0 EEAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665314205 472001768 /nfs/dbraw/zinc/00/17/68/472001768.db2.gz CKFBCCNJEGLWKJ-WMLDXEAASA-N 2 2 342.443 2.451 10 0 EEAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665314205 472001772 /nfs/dbraw/zinc/00/17/72/472001772.db2.gz CKFBCCNJEGLWKJ-WMLDXEAASA-N 2 2 342.443 2.451 10 0 EEAELP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320182 472068858 /nfs/dbraw/zinc/06/88/58/472068858.db2.gz RVWIJYVCNVFMJG-SJLPKXTDSA-N 2 2 333.476 2.081 10 0 EEAELP C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320182 472068861 /nfs/dbraw/zinc/06/88/61/472068861.db2.gz RVWIJYVCNVFMJG-SJLPKXTDSA-N 2 2 333.476 2.081 10 0 EEAELP Cc1cccn2cc(CCNC(=O)NCC[N@H+]3CCCC[C@@H]3C)[nH+]c12 ZINC000673770103 485525492 /nfs/dbraw/zinc/52/54/92/485525492.db2.gz YBSPDAXZIIDZBJ-INIZCTEOSA-N 2 2 343.475 2.359 10 0 EEAELP Cc1cccn2cc(CCNC(=O)NCC[N@@H+]3CCCC[C@@H]3C)[nH+]c12 ZINC000673770103 485525496 /nfs/dbraw/zinc/52/54/96/485525496.db2.gz YBSPDAXZIIDZBJ-INIZCTEOSA-N 2 2 343.475 2.359 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000673835627 485550380 /nfs/dbraw/zinc/55/03/80/485550380.db2.gz LEBCJOCHFPHJEH-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000673835627 485550388 /nfs/dbraw/zinc/55/03/88/485550388.db2.gz LEBCJOCHFPHJEH-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000673835627 485550390 /nfs/dbraw/zinc/55/03/90/485550390.db2.gz LEBCJOCHFPHJEH-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000673835627 485550397 /nfs/dbraw/zinc/55/03/97/485550397.db2.gz LEBCJOCHFPHJEH-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055370 485550878 /nfs/dbraw/zinc/55/08/78/485550878.db2.gz JRWADNZNJXGEJI-VXNCWWDNSA-N 2 2 347.503 2.293 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055370 485550884 /nfs/dbraw/zinc/55/08/84/485550884.db2.gz JRWADNZNJXGEJI-VXNCWWDNSA-N 2 2 347.503 2.293 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055370 485550889 /nfs/dbraw/zinc/55/08/89/485550889.db2.gz JRWADNZNJXGEJI-VXNCWWDNSA-N 2 2 347.503 2.293 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055370 485550893 /nfs/dbraw/zinc/55/08/93/485550893.db2.gz JRWADNZNJXGEJI-VXNCWWDNSA-N 2 2 347.503 2.293 10 0 EEAELP CN1C(=O)C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1c1cccnc1 ZINC000583616644 485581058 /nfs/dbraw/zinc/58/10/58/485581058.db2.gz UQTWQUDSEPVSGS-QUCCMNQESA-N 2 2 347.422 2.329 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC000679221629 485621696 /nfs/dbraw/zinc/62/16/96/485621696.db2.gz HIWNOKSKKXXIBJ-IEBWSBKVSA-N 2 2 347.478 2.319 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC000679221629 485621703 /nfs/dbraw/zinc/62/17/03/485621703.db2.gz HIWNOKSKKXXIBJ-IEBWSBKVSA-N 2 2 347.478 2.319 10 0 EEAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222879 485624761 /nfs/dbraw/zinc/62/47/61/485624761.db2.gz OPCMQHYGCYSQTH-ZAWLATJESA-N 2 2 347.478 2.446 10 0 EEAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222879 485624768 /nfs/dbraw/zinc/62/47/68/485624768.db2.gz OPCMQHYGCYSQTH-ZAWLATJESA-N 2 2 347.478 2.446 10 0 EEAELP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222879 485624776 /nfs/dbraw/zinc/62/47/76/485624776.db2.gz OPCMQHYGCYSQTH-ZAWLATJESA-N 2 2 347.478 2.446 10 0 EEAELP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@H](F)C1 ZINC000679222879 485624782 /nfs/dbraw/zinc/62/47/82/485624782.db2.gz OPCMQHYGCYSQTH-ZAWLATJESA-N 2 2 347.478 2.446 10 0 EEAELP CN(C[C@@H]1CC=CCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680082919 485883994 /nfs/dbraw/zinc/88/39/94/485883994.db2.gz BDRQDWPGUWNJIG-IAGOWNOFSA-N 2 2 334.508 2.153 10 0 EEAELP CN(C[C@@H]1CC=CCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680082919 485884002 /nfs/dbraw/zinc/88/40/02/485884002.db2.gz BDRQDWPGUWNJIG-IAGOWNOFSA-N 2 2 334.508 2.153 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000671721226 485985182 /nfs/dbraw/zinc/98/51/82/485985182.db2.gz SXYQDECRTJYSTK-MJBXVCDLSA-N 2 2 347.425 2.250 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CC[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000671721226 485985185 /nfs/dbraw/zinc/98/51/85/485985185.db2.gz SXYQDECRTJYSTK-MJBXVCDLSA-N 2 2 347.425 2.250 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C23CC(c4ccccc4)(C2)C3)CC1 ZINC000682914445 486583860 /nfs/dbraw/zinc/58/38/60/486583860.db2.gz QHOSMZXYFVPERO-UHFFFAOYSA-N 2 2 341.499 2.251 10 0 EEAELP CC[N@H+](CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000133168019 527918432 /nfs/dbraw/zinc/91/84/32/527918432.db2.gz XAVOXRUSOQIZBP-FUHWJXTLSA-N 2 2 337.414 2.311 10 0 EEAELP CC[N@@H+](CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000133168019 527918439 /nfs/dbraw/zinc/91/84/39/527918439.db2.gz XAVOXRUSOQIZBP-FUHWJXTLSA-N 2 2 337.414 2.311 10 0 EEAELP CC[NH+](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000133168019 527918441 /nfs/dbraw/zinc/91/84/41/527918441.db2.gz XAVOXRUSOQIZBP-FUHWJXTLSA-N 2 2 337.414 2.311 10 0 EEAELP CC[NH+](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000133168019 527918443 /nfs/dbraw/zinc/91/84/43/527918443.db2.gz XAVOXRUSOQIZBP-FUHWJXTLSA-N 2 2 337.414 2.311 10 0 EEAELP COc1ccc([C@H]([NH2+]CCC2(O)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423112835 536930212 /nfs/dbraw/zinc/93/02/12/536930212.db2.gz YCRGTFUBQTZFIR-MSOLQXFVSA-N 2 2 334.460 2.010 10 0 EEAELP C[N@H+](CC1CC[NH+](C)CC1)Cn1nnn(-c2ccccc2)c1=S ZINC000728907262 576558757 /nfs/dbraw/zinc/55/87/57/576558757.db2.gz RYCSYLLBHAJADF-UHFFFAOYSA-N 2 2 332.477 2.029 10 0 EEAELP C[N@@H+](CC1CC[NH+](C)CC1)Cn1nnn(-c2ccccc2)c1=S ZINC000728907262 576558759 /nfs/dbraw/zinc/55/87/59/576558759.db2.gz RYCSYLLBHAJADF-UHFFFAOYSA-N 2 2 332.477 2.029 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)c2cccc3[nH+]ccn32)ccc1F ZINC000770658741 577601039 /nfs/dbraw/zinc/60/10/39/577601039.db2.gz QHBPAUPIYRPXAA-UHFFFAOYSA-N 2 2 326.375 2.465 10 0 EEAELP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cnn(CCF)c3)[nH+]c2)C1 ZINC000905412301 592524201 /nfs/dbraw/zinc/52/42/01/592524201.db2.gz TWDHFICKRSDHFK-MRXNPFEDSA-N 2 2 332.427 2.000 10 0 EEAELP C[N@H+](CCOc1cccc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000725050501 679438819 /nfs/dbraw/zinc/43/88/19/679438819.db2.gz ZZRKRNFHJXNDAY-UHFFFAOYSA-N 2 2 343.265 2.268 10 0 EEAELP C[N@@H+](CCOc1cccc(Br)c1)C1(C[NH3+])CCOCC1 ZINC000725050501 679438821 /nfs/dbraw/zinc/43/88/21/679438821.db2.gz ZZRKRNFHJXNDAY-UHFFFAOYSA-N 2 2 343.265 2.268 10 0 EEAELP CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000895322671 684488550 /nfs/dbraw/zinc/48/85/50/684488550.db2.gz VRAJGISUSGIBJE-IRXDYDNUSA-N 2 2 327.472 2.298 10 0 EEAELP CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000895322671 684488552 /nfs/dbraw/zinc/48/85/52/684488552.db2.gz VRAJGISUSGIBJE-IRXDYDNUSA-N 2 2 327.472 2.298 10 0 EEAELP CCC[NH+]1CCN(c2nc(C)[nH+]c3c2NC(=O)[C@@H]([C@H](C)CC)N3)CC1 ZINC000224047348 689361273 /nfs/dbraw/zinc/36/12/73/689361273.db2.gz WQITZNRBQSACKG-TZMCWYRMSA-N 2 2 346.479 2.096 10 0 EEAELP CC1(C)C[NH2+]C[C@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000905304836 694606579 /nfs/dbraw/zinc/60/65/79/694606579.db2.gz OQBXAUPPVTUZKB-INIZCTEOSA-N 2 2 342.443 2.282 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CCCCc2ccccc2)C1 ZINC001485529236 1191821434 /nfs/dbraw/zinc/82/14/34/1191821434.db2.gz CVEPEBYRFBEMKS-INIZCTEOSA-N 2 2 340.471 2.412 10 0 EEAELP CC1(C)C[N@H+](CCc2cccs2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001485574771 1191851967 /nfs/dbraw/zinc/85/19/67/1191851967.db2.gz XYHSMKRVLYZOOF-INIZCTEOSA-N 2 2 346.500 2.404 10 0 EEAELP CC1(C)C[N@@H+](CCc2cccs2)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001485574771 1191851968 /nfs/dbraw/zinc/85/19/68/1191851968.db2.gz XYHSMKRVLYZOOF-INIZCTEOSA-N 2 2 346.500 2.404 10 0 EEAELP CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001485659245 1191879793 /nfs/dbraw/zinc/87/97/93/1191879793.db2.gz ZBYUVOPKNJFCQR-BBWFWOEESA-N 2 2 332.492 2.225 10 0 EEAELP CC(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001485659245 1191879794 /nfs/dbraw/zinc/87/97/94/1191879794.db2.gz ZBYUVOPKNJFCQR-BBWFWOEESA-N 2 2 332.492 2.225 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3C[C@H](C[NH2+]CC[C@H](C)F)C3)ccn12 ZINC001485683337 1191896167 /nfs/dbraw/zinc/89/61/67/1191896167.db2.gz NMKKYSHYGJBPBT-NOLJZWGESA-N 2 2 332.423 2.489 10 0 EEAELP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c(C)s1 ZINC001485746661 1191929190 /nfs/dbraw/zinc/92/91/90/1191929190.db2.gz KWVGRFNEXDWMJD-NSHDSACASA-N 2 2 349.504 2.409 10 0 EEAELP CC(C)[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CCC1 ZINC001485786498 1191952117 /nfs/dbraw/zinc/95/21/17/1191952117.db2.gz PKIYUKYAIZNNEC-FUHWJXTLSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)OCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001266502210 1176660818 /nfs/dbraw/zinc/66/08/18/1176660818.db2.gz ZNKQWOXOIKSAQN-HDICACEKSA-N 2 2 348.491 2.154 10 0 EEAELP CC(C)OCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001266502210 1176660826 /nfs/dbraw/zinc/66/08/26/1176660826.db2.gz ZNKQWOXOIKSAQN-HDICACEKSA-N 2 2 348.491 2.154 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc2cc[nH]c2c1 ZINC001691042508 1176982384 /nfs/dbraw/zinc/98/23/84/1176982384.db2.gz OXYJRPTYXZOSCN-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP 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337.427 2.286 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001483018565 1188007493 /nfs/dbraw/zinc/00/74/93/1188007493.db2.gz XDOCPDVGYZIONY-OWOJBTEDSA-N 2 2 337.427 2.286 10 0 EEAELP CCOC1CC(C[NH2+]C/C=C/CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001483037842 1188079444 /nfs/dbraw/zinc/07/94/44/1188079444.db2.gz UXZLXDXBMIZDQE-ONEGZZNKSA-N 2 2 342.443 2.025 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC[C@H]1CCc2ccccc21 ZINC001691573893 1188271537 /nfs/dbraw/zinc/27/15/37/1188271537.db2.gz GZPDMGHMXYSOSP-QGZVFWFLSA-N 2 2 340.471 2.429 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CCc2ccns2)c(C)[nH+]1 ZINC001483151439 1188877473 /nfs/dbraw/zinc/87/74/73/1188877473.db2.gz HBAPTQZCRJCHCO-CYBMUJFWSA-N 2 2 332.473 2.414 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001483152097 1188895459 /nfs/dbraw/zinc/89/54/59/1188895459.db2.gz ITVGSZWXMMUNKL-CYBMUJFWSA-N 2 2 339.399 2.077 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001409373162 1189595529 /nfs/dbraw/zinc/59/55/29/1189595529.db2.gz NJEGPRXAFFHXQC-KBPBESRZSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001409373162 1189595530 /nfs/dbraw/zinc/59/55/30/1189595530.db2.gz NJEGPRXAFFHXQC-KBPBESRZSA-N 2 2 332.423 2.473 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001409442921 1189684175 /nfs/dbraw/zinc/68/41/75/1189684175.db2.gz BOFZSYPMBSVWTJ-QWHCGFSZSA-N 2 2 328.407 2.191 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409468420 1189751507 /nfs/dbraw/zinc/75/15/07/1189751507.db2.gz MNGLINYLEBMHET-CABCVRRESA-N 2 2 326.444 2.444 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC001409478636 1189816855 /nfs/dbraw/zinc/81/68/55/1189816855.db2.gz VDYMBZGIJFOEKK-NWDGAFQWSA-N 2 2 338.814 2.359 10 0 EEAELP Cc1nc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2[nH]c[nH+]c2C)c(C)o1 ZINC001409490091 1189847485 /nfs/dbraw/zinc/84/74/85/1189847485.db2.gz DZBAMGHRGWRQTE-UHFFFAOYSA-N 2 2 347.463 2.140 10 0 EEAELP [NH3+][C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[C@@H]1C(F)(F)F ZINC000905717927 1189885736 /nfs/dbraw/zinc/88/57/36/1189885736.db2.gz LQJBKTBAPSQMKT-NWDGAFQWSA-N 2 2 329.370 2.183 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001409623545 1190117391 /nfs/dbraw/zinc/11/73/91/1190117391.db2.gz KREBDLJPSWHQIN-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001409623545 1190117392 /nfs/dbraw/zinc/11/73/92/1190117392.db2.gz KREBDLJPSWHQIN-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP CO[C@H](C)C[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001409773836 1190269657 /nfs/dbraw/zinc/26/96/57/1190269657.db2.gz DDISPVPKYHEDSP-HZPDHXFCSA-N 2 2 336.480 2.278 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)CCc1c[nH+]cn1C ZINC001483289622 1190315364 /nfs/dbraw/zinc/31/53/64/1190315364.db2.gz XKOAEQKONFKPNL-KBPBESRZSA-N 2 2 342.434 2.273 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483348609 1190381155 /nfs/dbraw/zinc/38/11/55/1190381155.db2.gz CCOZZPFGOBPANX-DAXOMENPSA-N 2 2 330.407 2.289 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483348609 1190381161 /nfs/dbraw/zinc/38/11/61/1190381161.db2.gz CCOZZPFGOBPANX-DAXOMENPSA-N 2 2 330.407 2.289 10 0 EEAELP C[C@@H](C[N@H+](C)CC/C=C/c1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001483426806 1190474515 /nfs/dbraw/zinc/47/45/15/1190474515.db2.gz GSSYAKDQPNWMMA-BHMZLHOFSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@@H](C[N@@H+](C)CC/C=C/c1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001483426806 1190474517 /nfs/dbraw/zinc/47/45/17/1190474517.db2.gz GSSYAKDQPNWMMA-BHMZLHOFSA-N 2 2 326.444 2.423 10 0 EEAELP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001409845263 1190677048 /nfs/dbraw/zinc/67/70/48/1190677048.db2.gz WKQXZXYNBZRUJW-WMZOPIPTSA-N 2 2 339.524 2.303 10 0 EEAELP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001409845263 1190677051 /nfs/dbraw/zinc/67/70/51/1190677051.db2.gz WKQXZXYNBZRUJW-WMZOPIPTSA-N 2 2 339.524 2.303 10 0 EEAELP CC[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CC=C(Cl)Cl ZINC001483625376 1190688391 /nfs/dbraw/zinc/68/83/91/1190688391.db2.gz YWKVOLJBZQASDK-STQMWFEESA-N 2 2 345.274 2.419 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001272465354 1190836886 /nfs/dbraw/zinc/83/68/86/1190836886.db2.gz DUFSQDGJVGYYJV-YNEHKIRRSA-N 2 2 344.381 2.294 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001272465354 1190836889 /nfs/dbraw/zinc/83/68/89/1190836889.db2.gz DUFSQDGJVGYYJV-YNEHKIRRSA-N 2 2 344.381 2.294 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001484066917 1191187094 /nfs/dbraw/zinc/18/70/94/1191187094.db2.gz GHFHLWAOIKAXGD-BBRMVZONSA-N 2 2 340.418 2.277 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@]1(C)CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001484066917 1191187096 /nfs/dbraw/zinc/18/70/96/1191187096.db2.gz GHFHLWAOIKAXGD-BBRMVZONSA-N 2 2 340.418 2.277 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccccc2Cl)C1 ZINC001484074229 1191194331 /nfs/dbraw/zinc/19/43/31/1191194331.db2.gz QGKNTHOZTBODFU-QGZVFWFLSA-N 2 2 332.835 2.317 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001484074229 1191194333 /nfs/dbraw/zinc/19/43/33/1191194333.db2.gz QGKNTHOZTBODFU-QGZVFWFLSA-N 2 2 332.835 2.317 10 0 EEAELP C[C@]1(C[NH2+]CC[C@@H]2CCCO2)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001484127536 1191224985 /nfs/dbraw/zinc/22/49/85/1191224985.db2.gz ANOYKMIKJIYFJK-PKOBYXMFSA-N 2 2 348.491 2.061 10 0 EEAELP CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001484195742 1191268065 /nfs/dbraw/zinc/26/80/65/1191268065.db2.gz KIIYYIGYENZJJB-ZDUSSCGKSA-N 2 2 328.407 2.134 10 0 EEAELP CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001484195742 1191268067 /nfs/dbraw/zinc/26/80/67/1191268067.db2.gz KIIYYIGYENZJJB-ZDUSSCGKSA-N 2 2 328.407 2.134 10 0 EEAELP COCCCC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001484583079 1191426797 /nfs/dbraw/zinc/42/67/97/1191426797.db2.gz VTDUFHQIYYXRMA-QGZVFWFLSA-N 2 2 348.491 2.185 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1 ZINC001484594204 1191435810 /nfs/dbraw/zinc/43/58/10/1191435810.db2.gz SXQVGWFQCVWETP-WBVHZDCISA-N 2 2 348.491 2.014 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1COCC[N@H+]1CCC1CC1 ZINC001484594204 1191435812 /nfs/dbraw/zinc/43/58/12/1191435812.db2.gz SXQVGWFQCVWETP-WBVHZDCISA-N 2 2 348.491 2.014 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)sn1 ZINC001484765480 1191502665 /nfs/dbraw/zinc/50/26/65/1191502665.db2.gz HEIHWGYSCCCHBS-UHFFFAOYSA-N 2 2 349.504 2.433 10 0 EEAELP Cc1cc(C[N@H+](C)CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)sn1 ZINC001484765480 1191502667 /nfs/dbraw/zinc/50/26/67/1191502667.db2.gz HEIHWGYSCCCHBS-UHFFFAOYSA-N 2 2 349.504 2.433 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)n1 ZINC001484988060 1191604162 /nfs/dbraw/zinc/60/41/62/1191604162.db2.gz OLNNOOBZOFJIMH-DLBZAZTESA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)n1 ZINC001484988060 1191604164 /nfs/dbraw/zinc/60/41/64/1191604164.db2.gz OLNNOOBZOFJIMH-DLBZAZTESA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)n1 ZINC001484988060 1191604167 /nfs/dbraw/zinc/60/41/67/1191604167.db2.gz OLNNOOBZOFJIMH-DLBZAZTESA-N 2 2 349.523 2.273 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001485157468 1191673377 /nfs/dbraw/zinc/67/33/77/1191673377.db2.gz SRAGHUOMXKLRTA-NEPJUHHUSA-N 2 2 335.839 2.074 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001485157468 1191673378 /nfs/dbraw/zinc/67/33/78/1191673378.db2.gz SRAGHUOMXKLRTA-NEPJUHHUSA-N 2 2 335.839 2.074 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC(C)(C)C[NH2+]Cc2ccon2)c[nH+]1 ZINC001485253439 1191704690 /nfs/dbraw/zinc/70/46/90/1191704690.db2.gz HQTNMUZKSWHYED-UHFFFAOYSA-N 2 2 347.463 2.189 10 0 EEAELP Cc1ncc(C[NH2+]C2CCC(N(C)C(=O)CCc3c[nH]c[nH+]3)CC2)o1 ZINC001485238898 1191705543 /nfs/dbraw/zinc/70/55/43/1191705543.db2.gz RVOXTXMDVNRXSG-UHFFFAOYSA-N 2 2 345.447 2.198 10 0 EEAELP Cc1ncc(C[NH2+]C2CCC(N(C)C(=O)CCc3c[nH+]c[nH]3)CC2)o1 ZINC001485238898 1191705545 /nfs/dbraw/zinc/70/55/45/1191705545.db2.gz RVOXTXMDVNRXSG-UHFFFAOYSA-N 2 2 345.447 2.198 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)oc1C ZINC001486424977 1193939114 /nfs/dbraw/zinc/93/91/14/1193939114.db2.gz YVOOLWSCLVENGW-OAHLLOKOSA-N 2 2 336.480 2.008 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001273212486 1197559732 /nfs/dbraw/zinc/55/97/32/1197559732.db2.gz MQGWLCWEQVYZOF-GFCCVEGCSA-N 2 2 338.814 2.360 10 0 EEAELP Cc1oncc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001410297998 1197678120 /nfs/dbraw/zinc/67/81/20/1197678120.db2.gz ASHHECQSXDVMJQ-GUYCJALGSA-N 2 2 345.447 2.157 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001273275393 1197944097 /nfs/dbraw/zinc/94/40/97/1197944097.db2.gz CDJQDNXXUBTBLI-CWDCEQMOSA-N 2 2 342.443 2.350 10 0 EEAELP CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865876377 1198411444 /nfs/dbraw/zinc/41/14/44/1198411444.db2.gz IGMJKHXGIWXONH-SJLPKXTDSA-N 2 2 336.476 2.037 10 0 EEAELP C[N@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1cscn1)CC2)C1CCC1 ZINC001410885675 1198534789 /nfs/dbraw/zinc/53/47/89/1198534789.db2.gz BZJADNZMSMPZTJ-FUHWJXTLSA-N 2 2 348.516 2.241 10 0 EEAELP C[N@@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1cscn1)CC2)C1CCC1 ZINC001410885675 1198534790 /nfs/dbraw/zinc/53/47/90/1198534790.db2.gz BZJADNZMSMPZTJ-FUHWJXTLSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2)C1CCC1 ZINC001410885675 1198534793 /nfs/dbraw/zinc/53/47/93/1198534793.db2.gz BZJADNZMSMPZTJ-FUHWJXTLSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2)C1CCC1 ZINC001410885675 1198534797 /nfs/dbraw/zinc/53/47/97/1198534797.db2.gz BZJADNZMSMPZTJ-FUHWJXTLSA-N 2 2 348.516 2.241 10 0 EEAELP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273429277 1198814953 /nfs/dbraw/zinc/81/49/53/1198814953.db2.gz WKEMPTLHOAHCCG-BRWVUGGUSA-N 2 2 348.491 2.301 10 0 EEAELP CCCCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273429277 1198814956 /nfs/dbraw/zinc/81/49/56/1198814956.db2.gz WKEMPTLHOAHCCG-BRWVUGGUSA-N 2 2 348.491 2.301 10 0 EEAELP CCCCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273429277 1198814961 /nfs/dbraw/zinc/81/49/61/1198814961.db2.gz WKEMPTLHOAHCCG-BRWVUGGUSA-N 2 2 348.491 2.301 10 0 EEAELP CCCCOCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273429277 1198814966 /nfs/dbraw/zinc/81/49/66/1198814966.db2.gz WKEMPTLHOAHCCG-BRWVUGGUSA-N 2 2 348.491 2.301 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCNC2=O)cc1 ZINC000810253663 1199404870 /nfs/dbraw/zinc/40/48/70/1199404870.db2.gz ZQURHQOZZQEEIZ-GXTWGEPZSA-N 2 2 325.416 2.147 10 0 EEAELP O=C(CCC12CC(C1)C[NH2+]2)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000870868742 1200922204 /nfs/dbraw/zinc/92/22/04/1200922204.db2.gz QKHJKOYQJIETBL-UHFFFAOYSA-N 2 2 328.460 2.220 10 0 EEAELP CC(=O)c1[nH]c(CC[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc1C ZINC000880258748 1201438834 /nfs/dbraw/zinc/43/88/34/1201438834.db2.gz CCDSNNNGLLUTTR-CYBMUJFWSA-N 2 2 327.432 2.069 10 0 EEAELP CC(=O)c1[nH]c(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)nc1C ZINC000880258748 1201438838 /nfs/dbraw/zinc/43/88/38/1201438838.db2.gz CCDSNNNGLLUTTR-CYBMUJFWSA-N 2 2 327.432 2.069 10 0 EEAELP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866259475 1201478217 /nfs/dbraw/zinc/47/82/17/1201478217.db2.gz MXCJBLQWFOBZSW-PKOBYXMFSA-N 2 2 335.467 2.321 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001279184241 1204397936 /nfs/dbraw/zinc/39/79/36/1204397936.db2.gz VEFWUZQWACBVND-CVEARBPZSA-N 2 2 334.508 2.473 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC1=CCCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001274141465 1204400067 /nfs/dbraw/zinc/40/00/67/1204400067.db2.gz HYVQHFWREJLPCH-CHYADLBTSA-N 2 2 328.460 2.208 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)CCn2cc[nH+]c2)cc1F ZINC001274244858 1204973301 /nfs/dbraw/zinc/97/33/01/1204973301.db2.gz XRBDEFYNURCGDY-NSCUHMNNSA-N 2 2 330.407 2.183 10 0 EEAELP CN(CCC[NH2+][C@H]1CCc2ccccc21)C(=O)CCn1cc[nH+]c1 ZINC001276162918 1205807699 /nfs/dbraw/zinc/80/76/99/1205807699.db2.gz WRMILVLGRCACME-SFHVURJKSA-N 2 2 326.444 2.399 10 0 EEAELP CCC[NH2+]CCCOC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001276165006 1205808188 /nfs/dbraw/zinc/80/81/88/1205808188.db2.gz VOSURUFSTXNGSJ-UHFFFAOYSA-N 2 2 344.459 2.345 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COc1ccc(C(F)(F)F)cc1 ZINC000925567944 1206129696 /nfs/dbraw/zinc/12/96/96/1206129696.db2.gz MKXYIQPTCRZVTF-ZFWWWQNUSA-N 2 2 344.377 2.319 10 0 EEAELP COc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OCCO ZINC000925613126 1206135977 /nfs/dbraw/zinc/13/59/77/1206135977.db2.gz QAIWHCFVCJRDPZ-KDOFPFPSSA-N 2 2 334.460 2.392 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000925784736 1206154119 /nfs/dbraw/zinc/15/41/19/1206154119.db2.gz KJRREQCJEPCWFC-HUHSQHJXSA-N 2 2 337.895 2.157 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000925784736 1206154121 /nfs/dbraw/zinc/15/41/21/1206154121.db2.gz KJRREQCJEPCWFC-HUHSQHJXSA-N 2 2 337.895 2.157 10 0 EEAELP Cc1ccc(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)c(N(C)C)[nH+]1 ZINC000926076297 1206188614 /nfs/dbraw/zinc/18/86/14/1206188614.db2.gz GUJAWTRVKIGBCR-QWRGUYRKSA-N 2 2 345.369 2.199 10 0 EEAELP COc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)O2 ZINC000930319586 1206548995 /nfs/dbraw/zinc/54/89/95/1206548995.db2.gz NBPRHEGNGPYTTL-PKOBYXMFSA-N 2 2 346.471 2.185 10 0 EEAELP COc1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)O2 ZINC000930319586 1206548996 /nfs/dbraw/zinc/54/89/96/1206548996.db2.gz NBPRHEGNGPYTTL-PKOBYXMFSA-N 2 2 346.471 2.185 10 0 EEAELP Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)Cc2c[nH+]cn2C)c1 ZINC001276332735 1215753855 /nfs/dbraw/zinc/75/38/55/1215753855.db2.gz JAFKFHPASWVYBF-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C23CC[NH+](CC2)C3)C[C@@H](C)O1 ZINC000900247457 1234120528 /nfs/dbraw/zinc/12/05/28/1234120528.db2.gz SZTQHJUCHKFQOX-HZPDHXFCSA-N 2 2 343.471 2.330 10 0 EEAELP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901307234 1235517593 /nfs/dbraw/zinc/51/75/93/1235517593.db2.gz MTPWNEMFLYYPKG-HOTGVXAUSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901307234 1235517601 /nfs/dbraw/zinc/51/76/01/1235517601.db2.gz MTPWNEMFLYYPKG-HOTGVXAUSA-N 2 2 341.459 2.160 10 0 EEAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903956128 1242708552 /nfs/dbraw/zinc/70/85/52/1242708552.db2.gz HMUISMQHFKXHEY-GFCCVEGCSA-N 2 2 332.778 2.461 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001490974224 1258522768 /nfs/dbraw/zinc/52/27/68/1258522768.db2.gz XXYPIONJTKANPA-MQVJKMGUSA-N 2 2 336.455 2.214 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001490974224 1258522774 /nfs/dbraw/zinc/52/27/74/1258522774.db2.gz XXYPIONJTKANPA-MQVJKMGUSA-N 2 2 336.455 2.214 10 0 EEAELP CCOCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001491038676 1258594282 /nfs/dbraw/zinc/59/42/82/1258594282.db2.gz DWXONDILFQBFCI-CALCHBBNSA-N 2 2 342.443 2.149 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C\Cl)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001491355615 1258988848 /nfs/dbraw/zinc/98/88/48/1258988848.db2.gz HANYVJMHKZGZON-FFLPPEDVSA-N 2 2 336.867 2.215 10 0 EEAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCCOC1 ZINC001490213131 1291003136 /nfs/dbraw/zinc/00/31/36/1291003136.db2.gz CXSCWLWWSLDUOD-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCCOC1 ZINC001490213131 1291003146 /nfs/dbraw/zinc/00/31/46/1291003146.db2.gz CXSCWLWWSLDUOD-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP CC1CC(C[N@H+](CCCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C2CC2)C1 ZINC001490377777 1291261664 /nfs/dbraw/zinc/26/16/64/1291261664.db2.gz QDFRWCJJRXNLEX-OFLPRAFFSA-N 2 2 344.503 2.462 10 0 EEAELP CC1CC(C[N@@H+](CCCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C2CC2)C1 ZINC001490377777 1291261669 /nfs/dbraw/zinc/26/16/69/1291261669.db2.gz QDFRWCJJRXNLEX-OFLPRAFFSA-N 2 2 344.503 2.462 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000855415368 1293209570 /nfs/dbraw/zinc/20/95/70/1293209570.db2.gz WMPCAQKTJNHKRL-UHFFFAOYSA-N 2 2 347.290 2.189 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Cl)c(N)c1Cl ZINC000855415368 1293209573 /nfs/dbraw/zinc/20/95/73/1293209573.db2.gz WMPCAQKTJNHKRL-UHFFFAOYSA-N 2 2 347.290 2.189 10 0 EEAELP CCCOC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592788 1293575874 /nfs/dbraw/zinc/57/58/74/1293575874.db2.gz WZRRZMUSASSFGL-YJBOKZPZSA-N 2 2 349.475 2.328 10 0 EEAELP CCCOC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592788 1293575876 /nfs/dbraw/zinc/57/58/76/1293575876.db2.gz WZRRZMUSASSFGL-YJBOKZPZSA-N 2 2 349.475 2.328 10 0 EEAELP CCCOC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592788 1293575878 /nfs/dbraw/zinc/57/58/78/1293575878.db2.gz WZRRZMUSASSFGL-YJBOKZPZSA-N 2 2 349.475 2.328 10 0 EEAELP CCCOC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592788 1293575880 /nfs/dbraw/zinc/57/58/80/1293575880.db2.gz WZRRZMUSASSFGL-YJBOKZPZSA-N 2 2 349.475 2.328 10 0 EEAELP COC(=O)Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000862446244 1295847194 /nfs/dbraw/zinc/84/71/94/1295847194.db2.gz ASNMTJMYFXTCMG-UHFFFAOYSA-N 2 2 333.457 2.210 10 0 EEAELP C[NH+]1CCC2(CCCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)CC1 ZINC000799030596 1305138964 /nfs/dbraw/zinc/13/89/64/1305138964.db2.gz GAXJCDJKLJGRFH-UHFFFAOYSA-N 2 2 339.443 2.215 10 0 EEAELP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001278651664 1317565472 /nfs/dbraw/zinc/56/54/72/1317565472.db2.gz QTORYECMNYYFIT-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP COCCCC[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC001278673646 1317640490 /nfs/dbraw/zinc/64/04/90/1317640490.db2.gz USICLCQHAQRNGI-HOTGVXAUSA-N 2 2 336.480 2.087 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001263802366 1322516488 /nfs/dbraw/zinc/51/64/88/1322516488.db2.gz NWXMDCJQUHRXFP-HOTGVXAUSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CCCCCF)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001263802366 1322516490 /nfs/dbraw/zinc/51/64/90/1322516490.db2.gz NWXMDCJQUHRXFP-HOTGVXAUSA-N 2 2 336.455 2.118 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CCc1cccs1 ZINC001265004515 1322851071 /nfs/dbraw/zinc/85/10/71/1322851071.db2.gz QOBQXUOCNHHUQT-OAHLLOKOSA-N 2 2 346.500 2.188 10 0 EEAELP 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Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001317342200 1332186936 /nfs/dbraw/zinc/18/69/36/1332186936.db2.gz HZCAANCVAUWBKW-GOSISDBHSA-N 2 2 340.471 2.332 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317429304 1332233031 /nfs/dbraw/zinc/23/30/31/1332233031.db2.gz VJGKEIFYJBQRJY-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317429304 1332233032 /nfs/dbraw/zinc/23/30/32/1332233032.db2.gz VJGKEIFYJBQRJY-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]Cc2ccccc2F)c[nH+]1 ZINC001317599448 1332318507 /nfs/dbraw/zinc/31/85/07/1332318507.db2.gz VRWGBDWTRHTDGO-UHFFFAOYSA-N 2 2 332.423 2.314 10 0 EEAELP CCc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001317606732 1332322870 /nfs/dbraw/zinc/32/28/70/1332322870.db2.gz UKHHLXHUNCBMNA-GOSISDBHSA-N 2 2 340.471 2.256 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@H]2C[C@]23CCOC3)c(C)[nH+]1 ZINC001317612473 1332327055 /nfs/dbraw/zinc/32/70/55/1332327055.db2.gz YMGDOQYHEBVCDQ-APWZRJJASA-N 2 2 331.460 2.095 10 0 EEAELP COCC[NH2+][C@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001317679020 1332367110 /nfs/dbraw/zinc/36/71/10/1332367110.db2.gz YZFACFGNCGXNGT-OAHLLOKOSA-N 2 2 333.476 2.484 10 0 EEAELP CC(C)C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001319631957 1332731322 /nfs/dbraw/zinc/73/13/22/1332731322.db2.gz RNTOTHMGZWQPOI-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001320588355 1332916130 /nfs/dbraw/zinc/91/61/30/1332916130.db2.gz UWLLGMLVXWAEKH-ZDUSSCGKSA-N 2 2 325.416 2.118 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCCC[C@H]3C[NH2+]CCF)ccn12 ZINC001322331511 1333248360 /nfs/dbraw/zinc/24/83/60/1333248360.db2.gz UNMRIHVOMAOHSZ-JKSUJKDBSA-N 2 2 332.423 2.490 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N(C)CCC[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001322837454 1333338060 /nfs/dbraw/zinc/33/80/60/1333338060.db2.gz VLVGXGBQOIMIIK-UHFFFAOYSA-N 2 2 347.463 2.115 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001324264712 1333645992 /nfs/dbraw/zinc/64/59/92/1333645992.db2.gz YOVOAKZKNOBTHS-CYBMUJFWSA-N 2 2 345.274 2.252 10 0 EEAELP CC[C@@H](C[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)OC ZINC001326302019 1334063298 /nfs/dbraw/zinc/06/32/98/1334063298.db2.gz FEVWBTFDQKCRJK-ZBFHGGJFSA-N 2 2 344.459 2.430 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001326658717 1334135579 /nfs/dbraw/zinc/13/55/79/1334135579.db2.gz OYZGLJDILSOWNO-MSOLQXFVSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001326658717 1334135583 /nfs/dbraw/zinc/13/55/83/1334135583.db2.gz OYZGLJDILSOWNO-MSOLQXFVSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001326658717 1334135587 /nfs/dbraw/zinc/13/55/87/1334135587.db2.gz OYZGLJDILSOWNO-MSOLQXFVSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001326658717 1334135590 /nfs/dbraw/zinc/13/55/90/1334135590.db2.gz OYZGLJDILSOWNO-MSOLQXFVSA-N 2 2 339.524 2.257 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]Cc2ocnc2C)c[nH+]1 ZINC001330843429 1334913709 /nfs/dbraw/zinc/91/37/09/1334913709.db2.gz RTPUEBQCBLGAAW-ZDUSSCGKSA-N 2 2 347.463 2.298 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCc1ccns1)n1cc[nH+]c1 ZINC001436318517 1342023478 /nfs/dbraw/zinc/02/34/78/1342023478.db2.gz HQSRPQKOALYYMG-CABCVRRESA-N 2 2 347.488 2.066 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1CCc1ccns1)n1cc[nH+]c1 ZINC001436318517 1342023483 /nfs/dbraw/zinc/02/34/83/1342023483.db2.gz HQSRPQKOALYYMG-CABCVRRESA-N 2 2 347.488 2.066 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001566797267 1342630797 /nfs/dbraw/zinc/63/07/97/1342630797.db2.gz BZRXORGYMPMWKD-IYARVYRRSA-N 2 2 340.471 2.222 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1)n1cc[nH+]c1 ZINC001566854513 1342641243 /nfs/dbraw/zinc/64/12/43/1342641243.db2.gz LGNVXYQHWLDHBK-AEGPPILISA-N 2 2 347.850 2.320 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001566956307 1342660368 /nfs/dbraw/zinc/66/03/68/1342660368.db2.gz UXWVJSOCWDURAL-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001566956307 1342660371 /nfs/dbraw/zinc/66/03/71/1342660371.db2.gz UXWVJSOCWDURAL-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCOC(C)C)C1 ZINC001567177283 1342705610 /nfs/dbraw/zinc/70/56/10/1342705610.db2.gz SZVVOQRLDYDNIO-HZPDHXFCSA-N 2 2 336.480 2.093 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C[NH2+]CCCO)C2CCCC2)c(C)[nH+]1 ZINC001569607882 1342907557 /nfs/dbraw/zinc/90/75/57/1342907557.db2.gz XEXSISVAZHHGDU-QGZVFWFLSA-N 2 2 333.476 2.267 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001569984961 1342988731 /nfs/dbraw/zinc/98/87/31/1342988731.db2.gz IZVDIJHWYOIYKO-LBPRGKRZSA-N 2 2 345.274 2.490 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001569984961 1342988733 /nfs/dbraw/zinc/98/87/33/1342988733.db2.gz IZVDIJHWYOIYKO-LBPRGKRZSA-N 2 2 345.274 2.490 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)CCC[NH+](C)C)CC2)o1 ZINC001571693741 1343276001 /nfs/dbraw/zinc/27/60/01/1343276001.db2.gz KDDRKAFALKXKAC-HNNXBMFYSA-N 2 2 334.464 2.134 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)CCC[NH+](C)C)CC2)o1 ZINC001571693741 1343276003 /nfs/dbraw/zinc/27/60/03/1343276003.db2.gz KDDRKAFALKXKAC-HNNXBMFYSA-N 2 2 334.464 2.134 10 0 EEAELP Cc1cnc(C[NH+]2CC=C(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)s1 ZINC001571695239 1343277325 /nfs/dbraw/zinc/27/73/25/1343277325.db2.gz HZWOBRLMNOVICD-CQSZACIVSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1cnc(C[NH+]2CC=C(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)s1 ZINC001571695239 1343277332 /nfs/dbraw/zinc/27/73/32/1343277332.db2.gz HZWOBRLMNOVICD-CQSZACIVSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)C[NH+]3CC[C@@H](C)C3)CC2)s1 ZINC001571695239 1343277336 /nfs/dbraw/zinc/27/73/36/1343277336.db2.gz HZWOBRLMNOVICD-CQSZACIVSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3CC[C@@H](C)C3)CC2)s1 ZINC001571695239 1343277344 /nfs/dbraw/zinc/27/73/44/1343277344.db2.gz HZWOBRLMNOVICD-CQSZACIVSA-N 2 2 348.516 2.042 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCCC2CCOCC2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001676680418 1357179981 /nfs/dbraw/zinc/17/99/81/1357179981.db2.gz MPQLPDXCIMNQOS-DOTOQJQBSA-N 2 2 348.491 2.128 10 0 EEAELP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]CCCCCF)C1 ZINC001677406937 1357328490 /nfs/dbraw/zinc/32/84/90/1357328490.db2.gz HBHPXQWYEMXMMW-QQFBHYJXSA-N 2 2 336.455 2.164 10 0 EEAELP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC001660242724 1354424438 /nfs/dbraw/zinc/42/44/38/1354424438.db2.gz HZAYCLFJTKQOCP-SFHVURJKSA-N 2 2 326.444 2.399 10 0 EEAELP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC001660242724 1354424441 /nfs/dbraw/zinc/42/44/41/1354424441.db2.gz HZAYCLFJTKQOCP-SFHVURJKSA-N 2 2 326.444 2.399 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001662052540 1354745998 /nfs/dbraw/zinc/74/59/98/1354745998.db2.gz OOYDRJXARBPWCF-OPZUJJBQSA-N 2 2 342.487 2.238 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001662052540 1354746002 /nfs/dbraw/zinc/74/60/02/1354746002.db2.gz OOYDRJXARBPWCF-OPZUJJBQSA-N 2 2 342.487 2.238 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CCC1CCCC1 ZINC001666619709 1355554770 /nfs/dbraw/zinc/55/47/70/1355554770.db2.gz JBYVQWVXIKTDEM-DJIMGWMZSA-N 2 2 332.492 2.446 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cccc(Cl)n2)CCCC1 ZINC001666812392 1355593976 /nfs/dbraw/zinc/59/39/76/1355593976.db2.gz POEQCAHNBUESGD-UHFFFAOYSA-N 2 2 347.850 2.150 10 0 EEAELP CCN(CC[NH2+]Cc1csc(Cl)n1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001668523858 1355957156 /nfs/dbraw/zinc/95/71/56/1355957156.db2.gz AGKQDSUMUWYVHA-ZDUSSCGKSA-N 2 2 344.912 2.219 10 0 EEAELP CCN(CC[NH2+]Cc1csc(Cl)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001668523858 1355957159 /nfs/dbraw/zinc/95/71/59/1355957159.db2.gz AGKQDSUMUWYVHA-ZDUSSCGKSA-N 2 2 344.912 2.219 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)co1 ZINC001669207338 1356126208 /nfs/dbraw/zinc/12/62/08/1356126208.db2.gz LVYSZNZWAHNWLH-JTHGQSKGSA-N 2 2 342.443 2.048 10 0 EEAELP COCC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CCCC1 ZINC001671530458 1356357473 /nfs/dbraw/zinc/35/74/73/1356357473.db2.gz MWKTWJPLJDEUMI-QGZVFWFLSA-N 2 2 344.459 2.167 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001672424390 1356520586 /nfs/dbraw/zinc/52/05/86/1356520586.db2.gz FXJJFFUEJBTGFG-NSVNRUQGSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001672424390 1356520588 /nfs/dbraw/zinc/52/05/88/1356520588.db2.gz FXJJFFUEJBTGFG-NSVNRUQGSA-N 2 2 342.487 2.192 10 0 EEAELP CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001673045154 1356636491 /nfs/dbraw/zinc/63/64/91/1356636491.db2.gz WUOFQDNTLLVLRM-QZTJIDSGSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001673045154 1356636494 /nfs/dbraw/zinc/63/64/94/1356636494.db2.gz WUOFQDNTLLVLRM-QZTJIDSGSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001673045154 1356636496 /nfs/dbraw/zinc/63/64/96/1356636496.db2.gz WUOFQDNTLLVLRM-QZTJIDSGSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001673045154 1356636499 /nfs/dbraw/zinc/63/64/99/1356636499.db2.gz WUOFQDNTLLVLRM-QZTJIDSGSA-N 2 2 339.524 2.257 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@H+](CCCCCF)CC1(C)C ZINC001675485480 1356993915 /nfs/dbraw/zinc/99/39/15/1356993915.db2.gz DZOSWBVAGIYEHC-MRXNPFEDSA-N 2 2 338.471 2.319 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[N@@H+](CCCCCF)CC1(C)C ZINC001675485480 1356993916 /nfs/dbraw/zinc/99/39/16/1356993916.db2.gz DZOSWBVAGIYEHC-MRXNPFEDSA-N 2 2 338.471 2.319 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001698891195 1405133999 /nfs/dbraw/zinc/13/39/99/1405133999.db2.gz LPELEVGYURLUOS-CVEARBPZSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)no1 ZINC001698921636 1405163160 /nfs/dbraw/zinc/16/31/60/1405163160.db2.gz VIRRVKVLALEGLR-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001699026520 1405240720 /nfs/dbraw/zinc/24/07/20/1405240720.db2.gz FEJLRXYDDAZPHB-RTBURBONSA-N 2 2 340.471 2.390 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]CCc2ccccc2)c[nH+]1 ZINC001699409229 1405350302 /nfs/dbraw/zinc/35/03/02/1405350302.db2.gz VLDRIIMHJNCXTM-HNNXBMFYSA-N 2 2 328.460 2.264 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001699873841 1405541824 /nfs/dbraw/zinc/54/18/24/1405541824.db2.gz LYURJCICPASYLB-MDZRGWNJSA-N 2 2 348.491 2.158 10 0 EEAELP CCOCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001699873841 1405541827 /nfs/dbraw/zinc/54/18/27/1405541827.db2.gz LYURJCICPASYLB-MDZRGWNJSA-N 2 2 348.491 2.158 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001699873841 1405541831 /nfs/dbraw/zinc/54/18/31/1405541831.db2.gz LYURJCICPASYLB-MDZRGWNJSA-N 2 2 348.491 2.158 10 0 EEAELP CCOCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001699873841 1405541835 /nfs/dbraw/zinc/54/18/35/1405541835.db2.gz LYURJCICPASYLB-MDZRGWNJSA-N 2 2 348.491 2.158 10 0 EEAELP CCN1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899420 790718717 /nfs/dbraw/zinc/71/87/17/790718717.db2.gz PSNBLRXCZSEGDT-UYAOXDASSA-N 2 2 343.471 2.425 10 0 EEAELP CCN1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899420 790718727 /nfs/dbraw/zinc/71/87/27/790718727.db2.gz PSNBLRXCZSEGDT-UYAOXDASSA-N 2 2 343.471 2.425 10 0 EEAELP CCN1C[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899420 790718742 /nfs/dbraw/zinc/71/87/42/790718742.db2.gz PSNBLRXCZSEGDT-UYAOXDASSA-N 2 2 343.471 2.425 10 0 EEAELP CCN1C[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899420 790718754 /nfs/dbraw/zinc/71/87/54/790718754.db2.gz PSNBLRXCZSEGDT-UYAOXDASSA-N 2 2 343.471 2.425 10 0 EEAELP CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908442365 785417384 /nfs/dbraw/zinc/41/73/84/785417384.db2.gz FIRMGVFKOYBUAZ-SFHVURJKSA-N 2 2 341.459 2.161 10 0 EEAELP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908442365 785417387 /nfs/dbraw/zinc/41/73/87/785417387.db2.gz FIRMGVFKOYBUAZ-SFHVURJKSA-N 2 2 341.459 2.161 10 0 EEAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000819184221 785453652 /nfs/dbraw/zinc/45/36/52/785453652.db2.gz WZBWRWGLAKRCKG-LIRRHRJNSA-N 2 2 344.434 2.464 10 0 EEAELP C[N@@H+](Cc1cscc1Br)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000709990894 786976836 /nfs/dbraw/zinc/97/68/36/786976836.db2.gz FYIYNWKIPWRHMP-LLVKDONJSA-N 2 2 331.279 2.463 10 0 EEAELP C[N@H+](Cc1cscc1Br)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000709990894 786976842 /nfs/dbraw/zinc/97/68/42/786976842.db2.gz FYIYNWKIPWRHMP-LLVKDONJSA-N 2 2 331.279 2.463 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(Nc3cccc[nH+]3)CC2)C1 ZINC000923120783 788885165 /nfs/dbraw/zinc/88/51/65/788885165.db2.gz XQZZWXWCDJANNU-FZNQNYSPSA-N 2 2 331.464 2.008 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COc1ccccc1C(F)(F)F ZINC000923399676 789498530 /nfs/dbraw/zinc/49/85/30/789498530.db2.gz RGJOFYGPROXPLX-WFASDCNBSA-N 2 2 344.377 2.319 10 0 EEAELP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000712986779 794534255 /nfs/dbraw/zinc/53/42/55/794534255.db2.gz ANVFOEXYFHAWAF-ZWKOTPCHSA-N 2 2 347.503 2.013 10 0 EEAELP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000712986779 794534259 /nfs/dbraw/zinc/53/42/59/794534259.db2.gz ANVFOEXYFHAWAF-ZWKOTPCHSA-N 2 2 347.503 2.013 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c[nH+]1 ZINC000823649047 798749403 /nfs/dbraw/zinc/74/94/03/798749403.db2.gz VUVUCUOOWGJOTP-MRXNPFEDSA-N 2 2 332.423 2.485 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH2+]Cc1nccs1 ZINC001565940919 1125467294 /nfs/dbraw/zinc/46/72/94/1125467294.db2.gz FWMPTNTYPPVLHA-KBPBESRZSA-N 2 2 347.488 2.216 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+](C)Cc2cnc(C)s2)c[nH+]1 ZINC001566464995 1125624578 /nfs/dbraw/zinc/62/45/78/1125624578.db2.gz DFSMYOFFIKDRCB-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCCC[N@H+](C)Cc2cnc(C)s2)c[nH+]1 ZINC001566464995 1125624580 /nfs/dbraw/zinc/62/45/80/1125624580.db2.gz DFSMYOFFIKDRCB-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001566498086 1125664967 /nfs/dbraw/zinc/66/49/67/1125664967.db2.gz SQWUEKHRSAUAHY-INIZCTEOSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001566498086 1125664968 /nfs/dbraw/zinc/66/49/68/1125664968.db2.gz SQWUEKHRSAUAHY-INIZCTEOSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)sc1C ZINC001436416046 1087771708 /nfs/dbraw/zinc/77/17/08/1087771708.db2.gz DKSMZPCUIHSWAR-UONOGXRCSA-N 2 2 347.488 2.100 10 0 EEAELP CCc1cnc(C[N@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2CC)o1 ZINC001436436516 1087816842 /nfs/dbraw/zinc/81/68/42/1087816842.db2.gz CGPRIGHKHNQJKW-JKSUJKDBSA-N 2 2 348.491 2.190 10 0 EEAELP CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2CC)o1 ZINC001436436516 1087816867 /nfs/dbraw/zinc/81/68/67/1087816867.db2.gz CGPRIGHKHNQJKW-JKSUJKDBSA-N 2 2 348.491 2.190 10 0 EEAELP Cc1nc(C[NH2+][C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)cs1 ZINC001436811010 1088399079 /nfs/dbraw/zinc/39/90/79/1088399079.db2.gz FAPYWTUGAIVQMJ-WBMJQRKESA-N 2 2 347.488 2.284 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001436925710 1088588301 /nfs/dbraw/zinc/58/83/01/1088588301.db2.gz KIAULWQYODWBGJ-WKILWMFISA-N 2 2 330.476 2.170 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001436927834 1088592151 /nfs/dbraw/zinc/59/21/51/1088592151.db2.gz PGDXGNZMNYDFRI-NQNKBUKLSA-N 2 2 330.476 2.026 10 0 EEAELP CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001436962392 1088652206 /nfs/dbraw/zinc/65/22/06/1088652206.db2.gz YRJGLPHYFXQIEF-HDICACEKSA-N 2 2 326.444 2.273 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001436967398 1088659673 /nfs/dbraw/zinc/65/96/73/1088659673.db2.gz PGOPLJDLDJNQSD-NGFQHRJXSA-N 2 2 331.420 2.129 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001437013936 1088796343 /nfs/dbraw/zinc/79/63/43/1088796343.db2.gz WRROAQZIOVFWSN-INIZCTEOSA-N 2 2 344.503 2.371 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001437013936 1088796362 /nfs/dbraw/zinc/79/63/62/1088796362.db2.gz WRROAQZIOVFWSN-INIZCTEOSA-N 2 2 344.503 2.371 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CC[C@@H]3CCCCO3)ccn12 ZINC001437136185 1089127836 /nfs/dbraw/zinc/12/78/36/1089127836.db2.gz NMZWZFYZTKBICM-PBHICJAKSA-N 2 2 344.459 2.310 10 0 EEAELP CCO[C@@H](C[NH2+][C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001437137455 1089128543 /nfs/dbraw/zinc/12/85/43/1089128543.db2.gz PGHRPAPEMGOAEB-DYVFJYSZSA-N 2 2 344.459 2.166 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccc(Cl)cc1 ZINC001437208699 1089283974 /nfs/dbraw/zinc/28/39/74/1089283974.db2.gz VTTDIQCFORJTTH-APHBMKBZSA-N 2 2 346.862 2.472 10 0 EEAELP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001437387642 1089641617 /nfs/dbraw/zinc/64/16/17/1089641617.db2.gz ZKJXHYBWZCKSGG-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001437387642 1089641626 /nfs/dbraw/zinc/64/16/26/1089641626.db2.gz ZKJXHYBWZCKSGG-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CC=C(Cl)Cl ZINC001437404877 1089679474 /nfs/dbraw/zinc/67/94/74/1089679474.db2.gz XRFDFFGCZBVBEM-WDEREUQCSA-N 2 2 333.263 2.392 10 0 EEAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CC=C(Cl)Cl ZINC001437404877 1089679479 /nfs/dbraw/zinc/67/94/79/1089679479.db2.gz XRFDFFGCZBVBEM-WDEREUQCSA-N 2 2 333.263 2.392 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CC=C(Cl)Cl)C1 ZINC001437683826 1090222623 /nfs/dbraw/zinc/22/26/23/1090222623.db2.gz DXMQLAFAHBHZLD-CHWSQXEVSA-N 2 2 334.291 2.228 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+]2CC=C(Cl)Cl)C1 ZINC001437683826 1090222630 /nfs/dbraw/zinc/22/26/30/1090222630.db2.gz DXMQLAFAHBHZLD-CHWSQXEVSA-N 2 2 334.291 2.228 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@@H+]2CC=C(Cl)Cl)C1 ZINC001437683826 1090222636 /nfs/dbraw/zinc/22/26/36/1090222636.db2.gz DXMQLAFAHBHZLD-CHWSQXEVSA-N 2 2 334.291 2.228 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@H]2CCC[N@H+]2CC=C(Cl)Cl)C1 ZINC001437683826 1090222646 /nfs/dbraw/zinc/22/26/46/1090222646.db2.gz DXMQLAFAHBHZLD-CHWSQXEVSA-N 2 2 334.291 2.228 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001437931055 1090524366 /nfs/dbraw/zinc/52/43/66/1090524366.db2.gz QHJUBZFJEDQNSD-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001437931055 1090524373 /nfs/dbraw/zinc/52/43/73/1090524373.db2.gz QHJUBZFJEDQNSD-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP C[C@H](CC(=O)NCC[C@H]1CC[N@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001437932287 1090525798 /nfs/dbraw/zinc/52/57/98/1090525798.db2.gz APVMWBOKLLMKEA-CABCVRRESA-N 2 2 347.488 2.319 10 0 EEAELP C[C@H](CC(=O)NCC[C@H]1CC[N@@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001437932287 1090525802 /nfs/dbraw/zinc/52/58/02/1090525802.db2.gz APVMWBOKLLMKEA-CABCVRRESA-N 2 2 347.488 2.319 10 0 EEAELP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001438263596 1090746109 /nfs/dbraw/zinc/74/61/09/1090746109.db2.gz HFSBGDYJVQECBM-YOEHRIQHSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001438263596 1090746112 /nfs/dbraw/zinc/74/61/12/1090746112.db2.gz HFSBGDYJVQECBM-YOEHRIQHSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001438263596 1090746119 /nfs/dbraw/zinc/74/61/19/1090746119.db2.gz HFSBGDYJVQECBM-YOEHRIQHSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[N@H+]1CC[C@H](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001438263596 1090746120 /nfs/dbraw/zinc/74/61/20/1090746120.db2.gz HFSBGDYJVQECBM-YOEHRIQHSA-N 2 2 348.491 2.056 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCc1ccccc1 ZINC001438331885 1090805806 /nfs/dbraw/zinc/80/58/06/1090805806.db2.gz DCNQWMPNTFOREY-QZTJIDSGSA-N 2 2 340.471 2.173 10 0 EEAELP Cc1nocc1C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@H]1C ZINC001438431494 1090931709 /nfs/dbraw/zinc/93/17/09/1090931709.db2.gz BIEYABDZNQSHDC-KDOFPFPSSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001438659225 1091147885 /nfs/dbraw/zinc/14/78/85/1091147885.db2.gz FZNYRVFIRSXBTO-HUUCEWRRSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1ccncc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001445404184 1091152787 /nfs/dbraw/zinc/15/27/87/1091152787.db2.gz VUCDNCPWDIMRPR-SJLPKXTDSA-N 2 2 343.475 2.468 10 0 EEAELP CC(C)C[C@H](C[NH2+]CC1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001438728463 1091265503 /nfs/dbraw/zinc/26/55/03/1091265503.db2.gz KSGDTOZYWRESMI-BRWVUGGUSA-N 2 2 348.491 2.060 10 0 EEAELP CC(C)C[C@H](C[NH2+]CC1CCOCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001438728463 1091265508 /nfs/dbraw/zinc/26/55/08/1091265508.db2.gz KSGDTOZYWRESMI-BRWVUGGUSA-N 2 2 348.491 2.060 10 0 EEAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]Cc1cncs1 ZINC001438768206 1091348348 /nfs/dbraw/zinc/34/83/48/1091348348.db2.gz JIOGYDNFMUWYJH-ZBFHGGJFSA-N 2 2 347.488 2.147 10 0 EEAELP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001438772480 1091358353 /nfs/dbraw/zinc/35/83/53/1091358353.db2.gz QFRQYKUWPAOXRR-OLZOCXBDSA-N 2 2 345.274 2.419 10 0 EEAELP C[C@H](C[N@H+](C)Cc1cccc(N(C)C)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001445743337 1091572467 /nfs/dbraw/zinc/57/24/67/1091572467.db2.gz SUHYLAIOQLQUJP-OAHLLOKOSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1cccc(N(C)C)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001445743337 1091572472 /nfs/dbraw/zinc/57/24/72/1091572472.db2.gz SUHYLAIOQLQUJP-OAHLLOKOSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@H](C[N@H+](C)Cc1cccc(N(C)C)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001445743337 1091572482 /nfs/dbraw/zinc/57/24/82/1091572482.db2.gz SUHYLAIOQLQUJP-OAHLLOKOSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1cccc(N(C)C)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001445743337 1091572491 /nfs/dbraw/zinc/57/24/91/1091572491.db2.gz SUHYLAIOQLQUJP-OAHLLOKOSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001439079001 1091725430 /nfs/dbraw/zinc/72/54/30/1091725430.db2.gz VNSIBQLFJUQZEX-CHWSQXEVSA-N 2 2 336.386 2.407 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001439156372 1091799627 /nfs/dbraw/zinc/79/96/27/1091799627.db2.gz VRHNVWYFHWLXQB-DAXOMENPSA-N 2 2 330.407 2.255 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001439156372 1091799633 /nfs/dbraw/zinc/79/96/33/1091799633.db2.gz VRHNVWYFHWLXQB-DAXOMENPSA-N 2 2 330.407 2.255 10 0 EEAELP Cc1ncc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001445887369 1091815976 /nfs/dbraw/zinc/81/59/76/1091815976.db2.gz UATSRKMCPXTMOP-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1ncc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001445887369 1091815981 /nfs/dbraw/zinc/81/59/81/1091815981.db2.gz UATSRKMCPXTMOP-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)NC(=O)Cc1c[nH+]cn1C ZINC001439270079 1091927804 /nfs/dbraw/zinc/92/78/04/1091927804.db2.gz YHGSAQVCJXTUQN-YVEFUNNKSA-N 2 2 346.862 2.398 10 0 EEAELP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001446025228 1092017243 /nfs/dbraw/zinc/01/72/43/1092017243.db2.gz ZMSNCMKZOGVRKE-CRAIPNDOSA-N 2 2 326.444 2.437 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276866 1092427440 /nfs/dbraw/zinc/42/74/40/1092427440.db2.gz NBTTUUWNQDYJCO-UONOGXRCSA-N 2 2 348.491 2.223 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276866 1092427443 /nfs/dbraw/zinc/42/74/43/1092427443.db2.gz NBTTUUWNQDYJCO-UONOGXRCSA-N 2 2 348.491 2.223 10 0 EEAELP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1c(C)noc1C ZINC001446321466 1092513250 /nfs/dbraw/zinc/51/32/50/1092513250.db2.gz JQFBHKKHFQBCCK-CALCHBBNSA-N 2 2 348.491 2.199 10 0 EEAELP CC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1c(C)noc1C ZINC001446321466 1092513262 /nfs/dbraw/zinc/51/32/62/1092513262.db2.gz JQFBHKKHFQBCCK-CALCHBBNSA-N 2 2 348.491 2.199 10 0 EEAELP CC[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1c(C)noc1C ZINC001446321466 1092513280 /nfs/dbraw/zinc/51/32/80/1092513280.db2.gz JQFBHKKHFQBCCK-CALCHBBNSA-N 2 2 348.491 2.199 10 0 EEAELP CC[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1c(C)noc1C ZINC001446321466 1092513290 /nfs/dbraw/zinc/51/32/90/1092513290.db2.gz JQFBHKKHFQBCCK-CALCHBBNSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ncccc1C ZINC001446322815 1092515649 /nfs/dbraw/zinc/51/56/49/1092515649.db2.gz QKPJRTZMGDBBPX-HDICACEKSA-N 2 2 344.503 2.297 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ncccc1C ZINC001446322815 1092515661 /nfs/dbraw/zinc/51/56/61/1092515661.db2.gz QKPJRTZMGDBBPX-HDICACEKSA-N 2 2 344.503 2.297 10 0 EEAELP CCC[NH+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ncccc1C ZINC001446322815 1092515671 /nfs/dbraw/zinc/51/56/71/1092515671.db2.gz QKPJRTZMGDBBPX-HDICACEKSA-N 2 2 344.503 2.297 10 0 EEAELP CCC[NH+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ncccc1C ZINC001446322815 1092515679 /nfs/dbraw/zinc/51/56/79/1092515679.db2.gz QKPJRTZMGDBBPX-HDICACEKSA-N 2 2 344.503 2.297 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)c(C)o1 ZINC001439619778 1092526765 /nfs/dbraw/zinc/52/67/65/1092526765.db2.gz DMYGVGQRKIEYII-RDJZCZTQSA-N 2 2 346.475 2.047 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@H+]43)CC2)c(C)o1 ZINC001439619778 1092526774 /nfs/dbraw/zinc/52/67/74/1092526774.db2.gz DMYGVGQRKIEYII-RDJZCZTQSA-N 2 2 346.475 2.047 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001439750506 1092707426 /nfs/dbraw/zinc/70/74/26/1092707426.db2.gz YLLRLDWHVMMASS-UHFFFAOYSA-N 2 2 337.895 2.367 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001439750506 1092707432 /nfs/dbraw/zinc/70/74/32/1092707432.db2.gz YLLRLDWHVMMASS-UHFFFAOYSA-N 2 2 337.895 2.367 10 0 EEAELP C[NH+](C)CCC(=O)NC1(C)CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC001439806627 1092765002 /nfs/dbraw/zinc/76/50/02/1092765002.db2.gz XBANCAYKLMGHCR-UHFFFAOYSA-N 2 2 344.912 2.219 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001439850718 1092866480 /nfs/dbraw/zinc/86/64/80/1092866480.db2.gz MKRPPNCUKYLMMS-YOEHRIQHSA-N 2 2 347.488 2.380 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001439850718 1092866486 /nfs/dbraw/zinc/86/64/86/1092866486.db2.gz MKRPPNCUKYLMMS-YOEHRIQHSA-N 2 2 347.488 2.380 10 0 EEAELP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]Cc2cncs2)C1)c1c[nH+]c[nH]1 ZINC001439906139 1092971474 /nfs/dbraw/zinc/97/14/74/1092971474.db2.gz SQHAKIKWABWXHI-KRWDZBQOSA-N 2 2 347.488 2.172 10 0 EEAELP CC[C@H](C[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)OC ZINC001448499594 1093525582 /nfs/dbraw/zinc/52/55/82/1093525582.db2.gz DZPSWECBVKVVBH-BPLDGKMQSA-N 2 2 330.432 2.086 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001440425322 1093623559 /nfs/dbraw/zinc/62/35/59/1093623559.db2.gz FHRGBQIQDABPPY-FGTMMUONSA-N 2 2 348.491 2.271 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC[C@H]1CCCCO1 ZINC001440425322 1093623564 /nfs/dbraw/zinc/62/35/64/1093623564.db2.gz FHRGBQIQDABPPY-FGTMMUONSA-N 2 2 348.491 2.271 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC[C@H]1CCCCO1 ZINC001440425322 1093623568 /nfs/dbraw/zinc/62/35/68/1093623568.db2.gz FHRGBQIQDABPPY-FGTMMUONSA-N 2 2 348.491 2.271 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC[C@H]1CCCCO1 ZINC001440425322 1093623575 /nfs/dbraw/zinc/62/35/75/1093623575.db2.gz FHRGBQIQDABPPY-FGTMMUONSA-N 2 2 348.491 2.271 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1cc(C)on1 ZINC001440450539 1093660056 /nfs/dbraw/zinc/66/00/56/1093660056.db2.gz IUJLUWXSFDCUOO-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+]1Cc1cc(C)on1 ZINC001440450539 1093660061 /nfs/dbraw/zinc/66/00/61/1093660061.db2.gz IUJLUWXSFDCUOO-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001448708826 1093776046 /nfs/dbraw/zinc/77/60/46/1093776046.db2.gz GNNMDBRZAHZINR-KBPBESRZSA-N 2 2 342.434 2.225 10 0 EEAELP CC[N@H+](C[C@@H](C)OC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001440701371 1093951307 /nfs/dbraw/zinc/95/13/07/1093951307.db2.gz IGSJCZIDGHHDLD-DJIMGWMZSA-N 2 2 348.491 2.109 10 0 EEAELP CC[N@@H+](C[C@@H](C)OC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001440701371 1093951309 /nfs/dbraw/zinc/95/13/09/1093951309.db2.gz IGSJCZIDGHHDLD-DJIMGWMZSA-N 2 2 348.491 2.109 10 0 EEAELP CC[N@H+](C[C@@H](C)OC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001440701371 1093951311 /nfs/dbraw/zinc/95/13/11/1093951311.db2.gz IGSJCZIDGHHDLD-DJIMGWMZSA-N 2 2 348.491 2.109 10 0 EEAELP CC[N@@H+](C[C@@H](C)OC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001440701371 1093951314 /nfs/dbraw/zinc/95/13/14/1093951314.db2.gz IGSJCZIDGHHDLD-DJIMGWMZSA-N 2 2 348.491 2.109 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@@H](C)[NH2+]CC=C(Cl)Cl ZINC001440807139 1094054565 /nfs/dbraw/zinc/05/45/65/1094054565.db2.gz DKCYSKAEDKXTGN-GHMZBOCLSA-N 2 2 333.263 2.155 10 0 EEAELP Cc1ncc(C[NH2+]CC(C)(C)CN(C)C(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001440885368 1094143113 /nfs/dbraw/zinc/14/31/13/1094143113.db2.gz LGRYKJITLUTOGP-UHFFFAOYSA-N 2 2 349.504 2.300 10 0 EEAELP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1nsc2ccccc12 ZINC001441030148 1094319913 /nfs/dbraw/zinc/31/99/13/1094319913.db2.gz UHJNYFYKKVIGOU-CQSZACIVSA-N 2 2 346.500 2.329 10 0 EEAELP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1nsc2ccccc12 ZINC001441030148 1094319921 /nfs/dbraw/zinc/31/99/21/1094319921.db2.gz UHJNYFYKKVIGOU-CQSZACIVSA-N 2 2 346.500 2.329 10 0 EEAELP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC([NH2+]Cc2ccon2)C1 ZINC001449408409 1094389379 /nfs/dbraw/zinc/38/93/79/1094389379.db2.gz YRKCLZCLSNQJIC-DAWZGUTISA-N 2 2 342.443 2.057 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001441172683 1094527500 /nfs/dbraw/zinc/52/75/00/1094527500.db2.gz ZFDFLJMBDSPSRJ-HNAYVOBHSA-N 2 2 338.455 2.397 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](CC/C=C\c2ccccc2)C1 ZINC001441225043 1094595515 /nfs/dbraw/zinc/59/55/15/1094595515.db2.gz LRKFVSVRJDYCEG-VWTAQGJOSA-N 2 2 338.455 2.423 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001441613746 1095477099 /nfs/dbraw/zinc/47/70/99/1095477099.db2.gz UWSLRMLEWMDTQG-QWHCGFSZSA-N 2 2 333.436 2.076 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[NH2+]CCc1cccs1 ZINC001441877684 1096000141 /nfs/dbraw/zinc/00/01/41/1096000141.db2.gz ZAQBAPASBGLLLB-ZDUSSCGKSA-N 2 2 333.457 2.031 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc2oc(C)nc2C)c[nH+]1 ZINC001442255977 1096557886 /nfs/dbraw/zinc/55/78/86/1096557886.db2.gz JLGRKZJWNSUKCO-GFCCVEGCSA-N 2 2 347.463 2.216 10 0 EEAELP COc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001442265936 1096571155 /nfs/dbraw/zinc/57/11/55/1096571155.db2.gz NJQFOCJSIGVEKC-KBRIMQKVSA-N 2 2 342.443 2.206 10 0 EEAELP COc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001442265936 1096571162 /nfs/dbraw/zinc/57/11/62/1096571162.db2.gz NJQFOCJSIGVEKC-KBRIMQKVSA-N 2 2 342.443 2.206 10 0 EEAELP C[N@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC1CCCC1 ZINC001442411574 1096733435 /nfs/dbraw/zinc/73/34/35/1096733435.db2.gz IRQZLHGYQKZPIU-KRWDZBQOSA-N 2 2 333.480 2.028 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC1CCCC1 ZINC001442411574 1096733439 /nfs/dbraw/zinc/73/34/39/1096733439.db2.gz IRQZLHGYQKZPIU-KRWDZBQOSA-N 2 2 333.480 2.028 10 0 EEAELP C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)CC1CCCC1 ZINC001442411574 1096733443 /nfs/dbraw/zinc/73/34/43/1096733443.db2.gz IRQZLHGYQKZPIU-KRWDZBQOSA-N 2 2 333.480 2.028 10 0 EEAELP C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)CC1CCCC1 ZINC001442411574 1096733447 /nfs/dbraw/zinc/73/34/47/1096733447.db2.gz IRQZLHGYQKZPIU-KRWDZBQOSA-N 2 2 333.480 2.028 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CCCc1ccsc1 ZINC001442836498 1097228803 /nfs/dbraw/zinc/22/88/03/1097228803.db2.gz AFMTYYZJGSNHFY-MRXNPFEDSA-N 2 2 332.473 2.158 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CCCc1ccsc1 ZINC001442836498 1097228811 /nfs/dbraw/zinc/22/88/11/1097228811.db2.gz AFMTYYZJGSNHFY-MRXNPFEDSA-N 2 2 332.473 2.158 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001442886767 1097282919 /nfs/dbraw/zinc/28/29/19/1097282919.db2.gz CCHFAJLDLWGDJQ-QWHCGFSZSA-N 2 2 332.370 2.225 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001442886767 1097282922 /nfs/dbraw/zinc/28/29/22/1097282922.db2.gz CCHFAJLDLWGDJQ-QWHCGFSZSA-N 2 2 332.370 2.225 10 0 EEAELP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001443190187 1097635105 /nfs/dbraw/zinc/63/51/05/1097635105.db2.gz RJHBFCKCHQPGHQ-NVXWUHKLSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001443190187 1097635107 /nfs/dbraw/zinc/63/51/07/1097635107.db2.gz RJHBFCKCHQPGHQ-NVXWUHKLSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443825824 1098328117 /nfs/dbraw/zinc/32/81/17/1098328117.db2.gz RISVTJYIWBQTHZ-ZFWWWQNUSA-N 2 2 347.488 2.332 10 0 EEAELP Cc1ncsc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443825824 1098328125 /nfs/dbraw/zinc/32/81/25/1098328125.db2.gz RISVTJYIWBQTHZ-ZFWWWQNUSA-N 2 2 347.488 2.332 10 0 EEAELP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443825820 1098328367 /nfs/dbraw/zinc/32/83/67/1098328367.db2.gz RISVTJYIWBQTHZ-DZGCQCFKSA-N 2 2 347.488 2.332 10 0 EEAELP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443825820 1098328373 /nfs/dbraw/zinc/32/83/73/1098328373.db2.gz RISVTJYIWBQTHZ-DZGCQCFKSA-N 2 2 347.488 2.332 10 0 EEAELP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1c(C)nsc1C ZINC001443926953 1098447194 /nfs/dbraw/zinc/44/71/94/1098447194.db2.gz HROAQTNLOJVODU-ZDUSSCGKSA-N 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ZUBGLNZCPKOMBI-RDJZCZTQSA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC001507353856 1115216918 /nfs/dbraw/zinc/21/69/18/1115216918.db2.gz ZUBGLNZCPKOMBI-RDJZCZTQSA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC001507353856 1115216920 /nfs/dbraw/zinc/21/69/20/1115216920.db2.gz ZUBGLNZCPKOMBI-RDJZCZTQSA-N 2 2 336.505 2.098 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001508026103 1115391424 /nfs/dbraw/zinc/39/14/24/1115391424.db2.gz CRMKPTJMUTYPQT-OAHLLOKOSA-N 2 2 347.463 2.132 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1=CC[N@H+](CC[C@@H](C)F)CC1 ZINC001508209660 1115445584 /nfs/dbraw/zinc/44/55/84/1115445584.db2.gz YENLMQJVPVTZMG-CQSZACIVSA-N 2 2 335.423 2.129 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001508209660 1115445587 /nfs/dbraw/zinc/44/55/87/1115445587.db2.gz YENLMQJVPVTZMG-CQSZACIVSA-N 2 2 335.423 2.129 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC=CC34CCCCC4)C2)CC1 ZINC001520812334 1119195580 /nfs/dbraw/zinc/19/55/80/1119195580.db2.gz AVXQNCPGFIHFQW-QGZVFWFLSA-N 2 2 346.519 2.439 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CC=CC34CCCCC4)C2)CC1 ZINC001520812334 1119195583 /nfs/dbraw/zinc/19/55/83/1119195583.db2.gz AVXQNCPGFIHFQW-QGZVFWFLSA-N 2 2 346.519 2.439 10 0 EEAELP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccnc(Cl)c1 ZINC001567970999 1124211457 /nfs/dbraw/zinc/21/14/57/1124211457.db2.gz WCCHRKLGODYGDM-CQSZACIVSA-N 2 2 335.839 2.006 10 0 EEAELP COc1ccc(Cl)c(C[NH2+]C/C=C\CNC(=O)Cn2cc[nH+]c2)c1 ZINC001568973361 1125012154 /nfs/dbraw/zinc/01/21/54/1125012154.db2.gz JOJWXLNFNNBDMB-IHWYPQMZSA-N 2 2 348.834 2.007 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cn1 ZINC001569244188 1125190503 /nfs/dbraw/zinc/19/05/03/1125190503.db2.gz GUCXFMWLJYNJQB-HZPDHXFCSA-N 2 2 344.463 2.132 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000154605892 529613948 /nfs/dbraw/zinc/61/39/48/529613948.db2.gz VJQUAWJJHPUGCQ-RDJZCZTQSA-N 2 2 333.476 2.289 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000154605892 529613953 /nfs/dbraw/zinc/61/39/53/529613953.db2.gz VJQUAWJJHPUGCQ-RDJZCZTQSA-N 2 2 333.476 2.289 10 0 EEAELP O[C@H](C[NH2+]CC[NH+]1CCCC1)COc1cc(Cl)ccc1Cl ZINC000048299045 213914377 /nfs/dbraw/zinc/91/43/77/213914377.db2.gz HQZVLXJCFPQRLV-CYBMUJFWSA-N 2 2 333.259 2.419 10 0 EEAELP C[NH2+]Cc1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000415948353 530007822 /nfs/dbraw/zinc/00/78/22/530007822.db2.gz YAPOTJDYAKMHQN-SFHVURJKSA-N 2 2 346.475 2.125 10 0 EEAELP C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000345739879 282356006 /nfs/dbraw/zinc/35/60/06/282356006.db2.gz QOYXTSVESDWKSS-LPHOPBHVSA-N 2 2 329.488 2.454 10 0 EEAELP C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000345739879 282356007 /nfs/dbraw/zinc/35/60/07/282356007.db2.gz QOYXTSVESDWKSS-LPHOPBHVSA-N 2 2 329.488 2.454 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000345739879 282356009 /nfs/dbraw/zinc/35/60/09/282356009.db2.gz QOYXTSVESDWKSS-LPHOPBHVSA-N 2 2 329.488 2.454 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000345739879 282356010 /nfs/dbraw/zinc/35/60/10/282356010.db2.gz QOYXTSVESDWKSS-LPHOPBHVSA-N 2 2 329.488 2.454 10 0 EEAELP Cc1nc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)cc[nH+]1 ZINC000183763248 235218871 /nfs/dbraw/zinc/21/88/71/235218871.db2.gz BDCADIUFHWTCDT-UHFFFAOYSA-N 2 2 334.427 2.293 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000358265302 283101282 /nfs/dbraw/zinc/10/12/82/283101282.db2.gz ZMYCPHGFXRVGEL-UYAOXDASSA-N 2 2 330.472 2.435 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000358265302 283101285 /nfs/dbraw/zinc/10/12/85/283101285.db2.gz ZMYCPHGFXRVGEL-UYAOXDASSA-N 2 2 330.472 2.435 10 0 EEAELP Fc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CCOCC2)cc1 ZINC000422759145 240211118 /nfs/dbraw/zinc/21/11/18/240211118.db2.gz KJBGAASHTQQRLW-MOPGFXCFSA-N 2 2 348.462 2.231 10 0 EEAELP COc1ccc(C(C)(C)C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000422858877 240262950 /nfs/dbraw/zinc/26/29/50/240262950.db2.gz JDUCMQLRCFJIEQ-OALUTQOASA-N 2 2 348.487 2.338 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422867436 240264939 /nfs/dbraw/zinc/26/49/39/240264939.db2.gz SFJJUQCNMDDJHT-LMMKCTJWSA-N 2 2 348.487 2.267 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261906550 283935255 /nfs/dbraw/zinc/93/52/55/283935255.db2.gz PMPRFFOXGYRQMY-OIISXLGYSA-N 2 2 328.460 2.087 10 0 EEAELP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000262177464 284004037 /nfs/dbraw/zinc/00/40/37/284004037.db2.gz YTJWHLMKQFRPEQ-KEYYUXOJSA-N 2 2 339.505 2.144 10 0 EEAELP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000262177464 284004044 /nfs/dbraw/zinc/00/40/44/284004044.db2.gz YTJWHLMKQFRPEQ-KEYYUXOJSA-N 2 2 339.505 2.144 10 0 EEAELP CS[C@H]1CC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000451314349 243073691 /nfs/dbraw/zinc/07/36/91/243073691.db2.gz ODSYGIHEXHIRSW-AEFFLSMTSA-N 2 2 347.528 2.329 10 0 EEAELP CS[C@H]1CC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000451314349 243073694 /nfs/dbraw/zinc/07/36/94/243073694.db2.gz ODSYGIHEXHIRSW-AEFFLSMTSA-N 2 2 347.528 2.329 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)c1 ZINC000459191521 245028600 /nfs/dbraw/zinc/02/86/00/245028600.db2.gz XQXTYSIXMGFOGZ-UHFFFAOYSA-N 2 2 343.475 2.172 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000459191521 245028604 /nfs/dbraw/zinc/02/86/04/245028604.db2.gz XQXTYSIXMGFOGZ-UHFFFAOYSA-N 2 2 343.475 2.172 10 0 EEAELP CC(C)[N@H+]1C[C@H](NCc2cccc(NC(=O)C[NH+](C)C)c2)[C@@H](C)C1 ZINC000095410389 218347361 /nfs/dbraw/zinc/34/73/61/218347361.db2.gz GPGGRELVDFJKJY-YJBOKZPZSA-N 2 2 332.492 2.005 10 0 EEAELP CC(C)[N@@H+]1C[C@H](NCc2cccc(NC(=O)C[NH+](C)C)c2)[C@@H](C)C1 ZINC000095410389 218347364 /nfs/dbraw/zinc/34/73/64/218347364.db2.gz GPGGRELVDFJKJY-YJBOKZPZSA-N 2 2 332.492 2.005 10 0 EEAELP CC(C)N1C[C@H]([NH2+]Cc2cccc(NC(=O)C[NH+](C)C)c2)[C@@H](C)C1 ZINC000095410389 218347367 /nfs/dbraw/zinc/34/73/67/218347367.db2.gz GPGGRELVDFJKJY-YJBOKZPZSA-N 2 2 332.492 2.005 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC[C@H]2CCOC2=O)[C@@H]1c1cnn(C)c1 ZINC000328652287 258021494 /nfs/dbraw/zinc/02/14/94/258021494.db2.gz WHRXQLPLKLVENG-XYJFISCASA-N 2 2 348.491 2.078 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)CC[C@H]2CCOC2=O)[C@@H]1c1cnn(C)c1 ZINC000328652287 258021496 /nfs/dbraw/zinc/02/14/96/258021496.db2.gz WHRXQLPLKLVENG-XYJFISCASA-N 2 2 348.491 2.078 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)CC[C@H]2CCOC2=O)[C@@H]1c1cnn(C)c1 ZINC000328652287 258021497 /nfs/dbraw/zinc/02/14/97/258021497.db2.gz WHRXQLPLKLVENG-XYJFISCASA-N 2 2 348.491 2.078 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC[C@H]2CCOC2=O)[C@@H]1c1cnn(C)c1 ZINC000328652287 258021499 /nfs/dbraw/zinc/02/14/99/258021499.db2.gz WHRXQLPLKLVENG-XYJFISCASA-N 2 2 348.491 2.078 10 0 EEAELP C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000117803202 152086224 /nfs/dbraw/zinc/08/62/24/152086224.db2.gz BFDRPWRMBWTPCP-KXBFYZLASA-N 2 2 345.487 2.036 10 0 EEAELP C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000117803202 152086228 /nfs/dbraw/zinc/08/62/28/152086228.db2.gz BFDRPWRMBWTPCP-KXBFYZLASA-N 2 2 345.487 2.036 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262978818 152350302 /nfs/dbraw/zinc/35/03/02/152350302.db2.gz MNPAUSVTAAYNBC-GXTWGEPZSA-N 2 2 343.443 2.074 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262978818 152350304 /nfs/dbraw/zinc/35/03/04/152350304.db2.gz MNPAUSVTAAYNBC-GXTWGEPZSA-N 2 2 343.443 2.074 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC000255657717 160397501 /nfs/dbraw/zinc/39/75/01/160397501.db2.gz FEXMHUOUJBSKPU-ARJAWSKDSA-N 2 2 333.451 2.371 10 0 EEAELP C[C@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[NH+]1CCCCCC1 ZINC000186458746 160072014 /nfs/dbraw/zinc/07/20/14/160072014.db2.gz QALADTCBKVGNSA-QGZVFWFLSA-N 2 2 330.476 2.385 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000192136033 160167640 /nfs/dbraw/zinc/16/76/40/160167640.db2.gz SLSLINFTFCQCGW-UHFFFAOYSA-N 3 2 341.503 2.250 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000192136033 160167643 /nfs/dbraw/zinc/16/76/43/160167643.db2.gz SLSLINFTFCQCGW-UHFFFAOYSA-N 3 2 341.503 2.250 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000246291034 160271942 /nfs/dbraw/zinc/27/19/42/160271942.db2.gz OUBQELVWWIOJBD-GOEBONIOSA-N 2 2 332.473 2.486 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000246291034 160271944 /nfs/dbraw/zinc/27/19/44/160271944.db2.gz OUBQELVWWIOJBD-GOEBONIOSA-N 2 2 332.473 2.486 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246702609 160290350 /nfs/dbraw/zinc/29/03/50/160290350.db2.gz KUXUJCBOJVBWEY-ZWKOTPCHSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246702609 160290351 /nfs/dbraw/zinc/29/03/51/160290351.db2.gz KUXUJCBOJVBWEY-ZWKOTPCHSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246702609 160290353 /nfs/dbraw/zinc/29/03/53/160290353.db2.gz KUXUJCBOJVBWEY-ZWKOTPCHSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246702609 160290355 /nfs/dbraw/zinc/29/03/55/160290355.db2.gz KUXUJCBOJVBWEY-ZWKOTPCHSA-N 2 2 347.503 2.213 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C[C@@H]1C ZINC000246897055 160299537 /nfs/dbraw/zinc/29/95/37/160299537.db2.gz AEWXXEUQZWPETR-HKUYNNGSSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C[C@@H]1C ZINC000246897055 160299539 /nfs/dbraw/zinc/29/95/39/160299539.db2.gz AEWXXEUQZWPETR-HKUYNNGSSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@@H]1C ZINC000246897055 160299540 /nfs/dbraw/zinc/29/95/40/160299540.db2.gz AEWXXEUQZWPETR-HKUYNNGSSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@@H]1C ZINC000246897055 160299541 /nfs/dbraw/zinc/29/95/41/160299541.db2.gz AEWXXEUQZWPETR-HKUYNNGSSA-N 2 2 347.503 2.249 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)C[N@@H+]1C1CC1 ZINC000343559695 161146815 /nfs/dbraw/zinc/14/68/15/161146815.db2.gz YFPUPOVBBJAPDD-FXRXJOCMSA-N 2 2 327.472 2.391 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)C[N@H+]1C1CC1 ZINC000343559695 161146816 /nfs/dbraw/zinc/14/68/16/161146816.db2.gz YFPUPOVBBJAPDD-FXRXJOCMSA-N 2 2 327.472 2.391 10 0 EEAELP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927612 161181295 /nfs/dbraw/zinc/18/12/95/161181295.db2.gz SJJSIEOHMYAITI-BZUAXINKSA-N 2 2 349.523 2.386 10 0 EEAELP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927612 161181296 /nfs/dbraw/zinc/18/12/96/161181296.db2.gz SJJSIEOHMYAITI-BZUAXINKSA-N 2 2 349.523 2.386 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000345099879 161271832 /nfs/dbraw/zinc/27/18/32/161271832.db2.gz SYNAWDIHEPCYEI-NVXWUHKLSA-N 2 2 325.403 2.168 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000345099879 161271833 /nfs/dbraw/zinc/27/18/33/161271833.db2.gz SYNAWDIHEPCYEI-NVXWUHKLSA-N 2 2 325.403 2.168 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000345099879 161271834 /nfs/dbraw/zinc/27/18/34/161271834.db2.gz SYNAWDIHEPCYEI-NVXWUHKLSA-N 2 2 325.403 2.168 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000345099879 161271835 /nfs/dbraw/zinc/27/18/35/161271835.db2.gz SYNAWDIHEPCYEI-NVXWUHKLSA-N 2 2 325.403 2.168 10 0 EEAELP COc1c[nH+]ccc1N1CCN(Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000355651992 163260009 /nfs/dbraw/zinc/26/00/09/163260009.db2.gz CJKRORLTPVEZEG-UHFFFAOYSA-N 2 2 337.427 2.369 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc3c(C)cccn23)CC1 ZINC000355651992 163260013 /nfs/dbraw/zinc/26/00/13/163260013.db2.gz CJKRORLTPVEZEG-UHFFFAOYSA-N 2 2 337.427 2.369 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC000360336197 164287152 /nfs/dbraw/zinc/28/71/52/164287152.db2.gz JIQXNHOLZJWGNT-DOTOQJQBSA-N 2 2 342.491 2.428 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC000360336197 164287153 /nfs/dbraw/zinc/28/71/53/164287153.db2.gz JIQXNHOLZJWGNT-DOTOQJQBSA-N 2 2 342.491 2.428 10 0 EEAELP C[N@H+](CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000369106483 166190828 /nfs/dbraw/zinc/19/08/28/166190828.db2.gz IVDIFAJEYBFJFN-HNNXBMFYSA-N 2 2 345.491 2.203 10 0 EEAELP C[N@@H+](CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000369106483 166190831 /nfs/dbraw/zinc/19/08/31/166190831.db2.gz IVDIFAJEYBFJFN-HNNXBMFYSA-N 2 2 345.491 2.203 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000369923772 166357838 /nfs/dbraw/zinc/35/78/38/166357838.db2.gz PGNSXOHBRQQZLZ-HZPDHXFCSA-N 2 2 347.507 2.475 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376657522 167369437 /nfs/dbraw/zinc/36/94/37/167369437.db2.gz WAPWLCBUOPHFCD-XYPWUTKMSA-N 2 2 333.480 2.306 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376657522 167369440 /nfs/dbraw/zinc/36/94/40/167369440.db2.gz WAPWLCBUOPHFCD-XYPWUTKMSA-N 2 2 333.480 2.306 10 0 EEAELP COc1cc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(OC)c1 ZINC000123612700 222305615 /nfs/dbraw/zinc/30/56/15/222305615.db2.gz BFUPUVBXJGDTDL-HIFRSBDPSA-N 2 2 335.448 2.057 10 0 EEAELP COc1cc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc(OC)c1 ZINC000123612700 222305619 /nfs/dbraw/zinc/30/56/19/222305619.db2.gz BFUPUVBXJGDTDL-HIFRSBDPSA-N 2 2 335.448 2.057 10 0 EEAELP COc1cc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000123612700 222305623 /nfs/dbraw/zinc/30/56/23/222305623.db2.gz BFUPUVBXJGDTDL-HIFRSBDPSA-N 2 2 335.448 2.057 10 0 EEAELP COc1cc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1 ZINC000123612700 222305627 /nfs/dbraw/zinc/30/56/27/222305627.db2.gz BFUPUVBXJGDTDL-HIFRSBDPSA-N 2 2 335.448 2.057 10 0 EEAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271353209 274123580 /nfs/dbraw/zinc/12/35/80/274123580.db2.gz WOHKVAIQMOULHH-HNNXBMFYSA-N 2 2 327.432 2.262 10 0 EEAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271353209 274123582 /nfs/dbraw/zinc/12/35/82/274123582.db2.gz WOHKVAIQMOULHH-HNNXBMFYSA-N 2 2 327.432 2.262 10 0 EEAELP COc1cc(C)c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000278722887 274393795 /nfs/dbraw/zinc/39/37/95/274393795.db2.gz RJEBLVKXWKFDPW-UHFFFAOYSA-N 2 2 348.491 2.460 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)CCC2 ZINC000371556089 274824171 /nfs/dbraw/zinc/82/41/71/274824171.db2.gz WPFXQCGTNVRJRS-RRFJBIMHSA-N 2 2 325.478 2.014 10 0 EEAELP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000287714755 274986337 /nfs/dbraw/zinc/98/63/37/274986337.db2.gz OHEHBJZFWZYNOT-CHWSQXEVSA-N 2 2 326.322 2.467 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084845 275373889 /nfs/dbraw/zinc/37/38/89/275373889.db2.gz GAWRVVSWSZKIIA-MJGOQNOKSA-N 2 2 331.435 2.349 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084845 275373890 /nfs/dbraw/zinc/37/38/90/275373890.db2.gz GAWRVVSWSZKIIA-MJGOQNOKSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084845 275373893 /nfs/dbraw/zinc/37/38/93/275373893.db2.gz GAWRVVSWSZKIIA-MJGOQNOKSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084845 275373894 /nfs/dbraw/zinc/37/38/94/275373894.db2.gz GAWRVVSWSZKIIA-MJGOQNOKSA-N 2 2 331.435 2.349 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000297066946 294142952 /nfs/dbraw/zinc/14/29/52/294142952.db2.gz YKQICYXAOYVRLJ-UHFFFAOYSA-N 2 2 345.447 2.474 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000297210611 294181425 /nfs/dbraw/zinc/18/14/25/294181425.db2.gz WUAKANKLJXKKSV-OAHLLOKOSA-N 2 2 327.432 2.049 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000297599880 294291570 /nfs/dbraw/zinc/29/15/70/294291570.db2.gz FRPQZWUPWZFLJH-HNNXBMFYSA-N 2 2 333.411 2.144 10 0 EEAELP c1cc(N[C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423229632 304851810 /nfs/dbraw/zinc/85/18/10/304851810.db2.gz HKZIGPCCHRHMPG-KBAYOESNSA-N 2 2 330.476 2.498 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000340471337 312258636 /nfs/dbraw/zinc/25/86/36/312258636.db2.gz VOUHQQFFYZTARY-KRWDZBQOSA-N 2 2 331.439 2.450 10 0 EEAELP CCn1c[nH+]cc1CNc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000416427408 313220737 /nfs/dbraw/zinc/22/07/37/313220737.db2.gz MJJSWYMHDAPZRK-UHFFFAOYSA-N 2 2 341.459 2.341 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000528782434 317476837 /nfs/dbraw/zinc/47/68/37/317476837.db2.gz JXSWIKZKPDQIHS-RBUKOAKNSA-N 2 2 347.478 2.462 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1cccc(F)c1 ZINC000538653676 318039550 /nfs/dbraw/zinc/03/95/50/318039550.db2.gz RFJPJWNMVPQZMQ-GOSISDBHSA-N 2 2 344.434 2.320 10 0 EEAELP COc1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cc1 ZINC000542158252 318122841 /nfs/dbraw/zinc/12/28/41/318122841.db2.gz UOIJTSFNFJHBGQ-YOEHRIQHSA-N 2 2 342.443 2.271 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1 ZINC000542720198 318137801 /nfs/dbraw/zinc/13/78/01/318137801.db2.gz OATYUGLRPQIASD-MRXNPFEDSA-N 2 2 329.448 2.103 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000554082382 318545266 /nfs/dbraw/zinc/54/52/66/318545266.db2.gz WOSQZALLDACIMA-UHFFFAOYSA-N 2 2 340.427 2.326 10 0 EEAELP CN1CC[N@H+](C)C[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000566215841 319260869 /nfs/dbraw/zinc/26/08/69/319260869.db2.gz XSWPXJGPLUADHR-PMACEKPBSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CC[N@@H+](C)C[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000566215841 319260871 /nfs/dbraw/zinc/26/08/71/319260871.db2.gz XSWPXJGPLUADHR-PMACEKPBSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CC[NH+](C)C[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566215841 319260874 /nfs/dbraw/zinc/26/08/74/319260874.db2.gz XSWPXJGPLUADHR-PMACEKPBSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CC[NH+](C)C[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566215841 319260875 /nfs/dbraw/zinc/26/08/75/319260875.db2.gz XSWPXJGPLUADHR-PMACEKPBSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CCN(C)[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215841 319260877 /nfs/dbraw/zinc/26/08/77/319260877.db2.gz XSWPXJGPLUADHR-PMACEKPBSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CCN(C)[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215841 319260880 /nfs/dbraw/zinc/26/08/80/319260880.db2.gz XSWPXJGPLUADHR-PMACEKPBSA-N 2 2 342.531 2.019 10 0 EEAELP [NH3+]C1(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CCCCCC1 ZINC000570028694 319629277 /nfs/dbraw/zinc/62/92/77/319629277.db2.gz JMLPEVVYCOQRDA-UHFFFAOYSA-N 2 2 333.480 2.113 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000577491803 320258731 /nfs/dbraw/zinc/25/87/31/320258731.db2.gz MLECXRHREXBSHR-LJQANCHMSA-N 2 2 349.438 2.303 10 0 EEAELP O[C@@H](CNc1ccc([NH2+]CC2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000577503306 320259185 /nfs/dbraw/zinc/25/91/85/320259185.db2.gz XQYBFUUJCHJZIL-IBGZPJMESA-N 2 2 333.476 2.394 10 0 EEAELP O=C(NCc1ccccc1)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182668047 323383184 /nfs/dbraw/zinc/38/31/84/323383184.db2.gz OABGDWVKQZOJHA-UHFFFAOYSA-N 2 2 326.444 2.302 10 0 EEAELP Cc1cc(NCCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)nc(C(C)C)[nH+]1 ZINC000529846614 448983937 /nfs/dbraw/zinc/98/39/37/448983937.db2.gz WYZFPJHZGIWRGJ-HNNXBMFYSA-N 2 2 331.464 2.063 10 0 EEAELP Cc1cc(NCCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)nc(C(C)C)[nH+]1 ZINC000529846614 448983946 /nfs/dbraw/zinc/98/39/46/448983946.db2.gz WYZFPJHZGIWRGJ-HNNXBMFYSA-N 2 2 331.464 2.063 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627069748 451110362 /nfs/dbraw/zinc/11/03/62/451110362.db2.gz RXPONQZLDYYBFR-LSDHHAIUSA-N 2 2 348.495 2.008 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000339230190 465152143 /nfs/dbraw/zinc/15/21/43/465152143.db2.gz JWDFOBWSPSHJDU-UHFFFAOYSA-N 2 2 338.455 2.101 10 0 EEAELP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000358520402 465171626 /nfs/dbraw/zinc/17/16/26/465171626.db2.gz HKPVDZUNJAXUSV-GJZGRUSLSA-N 2 2 333.480 2.059 10 0 EEAELP CC[C@H](CO)[NH+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000128023698 462602543 /nfs/dbraw/zinc/60/25/43/462602543.db2.gz YPFAVPWXYUFCIM-OAHLLOKOSA-N 2 2 329.444 2.445 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000052500636 463083286 /nfs/dbraw/zinc/08/32/86/463083286.db2.gz YIRPIPXLMJVRHK-HNNXBMFYSA-N 2 2 329.448 2.128 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000052500636 463083288 /nfs/dbraw/zinc/08/32/88/463083288.db2.gz YIRPIPXLMJVRHK-HNNXBMFYSA-N 2 2 329.448 2.128 10 0 EEAELP C[N@H+](CCNC(=O)NCCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000157409500 463128899 /nfs/dbraw/zinc/12/88/99/463128899.db2.gz QKQOXXHCZRKLMP-UHFFFAOYSA-N 2 2 343.475 2.441 10 0 EEAELP C[N@@H+](CCNC(=O)NCCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000157409500 463128905 /nfs/dbraw/zinc/12/89/05/463128905.db2.gz QKQOXXHCZRKLMP-UHFFFAOYSA-N 2 2 343.475 2.441 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(COC)c2)[C@H](C)C1 ZINC000079461207 463217025 /nfs/dbraw/zinc/21/70/25/463217025.db2.gz RDDAVMAKUANQHF-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(COC)c2)[C@H](C)C1 ZINC000079461207 463217030 /nfs/dbraw/zinc/21/70/30/463217030.db2.gz RDDAVMAKUANQHF-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(COC)c2)[C@H](C)C1 ZINC000079461207 463217033 /nfs/dbraw/zinc/21/70/33/463217033.db2.gz RDDAVMAKUANQHF-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(COC)c2)[C@H](C)C1 ZINC000079461207 463217034 /nfs/dbraw/zinc/21/70/34/463217034.db2.gz RDDAVMAKUANQHF-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP COc1ccc([C@@H]([NH3+])[C@H]([NH3+])c2ccc(OC)c(OC)c2)cc1OC ZINC000034214051 463426777 /nfs/dbraw/zinc/42/67/77/463426777.db2.gz KBESEIUIYAWEEV-QZTJIDSGSA-N 2 2 332.400 2.421 10 0 EEAELP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000071870613 463447957 /nfs/dbraw/zinc/44/79/57/463447957.db2.gz RZJGMFLNEXWFDO-MRXNPFEDSA-N 2 2 344.484 2.475 10 0 EEAELP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000071870613 463447960 /nfs/dbraw/zinc/44/79/60/463447960.db2.gz RZJGMFLNEXWFDO-MRXNPFEDSA-N 2 2 344.484 2.475 10 0 EEAELP Cc1cc(N2CCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)nc(C(C)C)[nH+]1 ZINC000040553387 463461568 /nfs/dbraw/zinc/46/15/68/463461568.db2.gz ZPRXJQJHDRRFED-OAHLLOKOSA-N 2 2 342.447 2.015 10 0 EEAELP CCC[NH+]1CCC([NH+]2CCN(C(=O)/C=C/c3cccnc3)CC2)CC1 ZINC000071900332 463463909 /nfs/dbraw/zinc/46/39/09/463463909.db2.gz IZMCEGPLXBMRKJ-AATRIKPKSA-N 2 2 342.487 2.113 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1NC(C)=O ZINC000151318131 463511886 /nfs/dbraw/zinc/51/18/86/463511886.db2.gz FKLUZRIPGBMTJY-RHSMWYFYSA-N 2 2 349.475 2.151 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000151321690 463512459 /nfs/dbraw/zinc/51/24/59/463512459.db2.gz ZPJUEVYJTVLTHT-FXAWDEMLSA-N 2 2 342.487 2.429 10 0 EEAELP Cc1cccn2c(C[NH2+][C@H]3CCN(C(=O)C4CC4)C[C@@H]3C)c[nH+]c12 ZINC000084247942 463587686 /nfs/dbraw/zinc/58/76/86/463587686.db2.gz QAFXVCUTEBZWDA-YOEHRIQHSA-N 2 2 326.444 2.379 10 0 EEAELP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000164913796 463636466 /nfs/dbraw/zinc/63/64/66/463636466.db2.gz MQKABKQUCUXCBW-IAGOWNOFSA-N 2 2 347.507 2.116 10 0 EEAELP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000164913796 463636472 /nfs/dbraw/zinc/63/64/72/463636472.db2.gz MQKABKQUCUXCBW-IAGOWNOFSA-N 2 2 347.507 2.116 10 0 EEAELP Cc1nc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)oc1C ZINC000261686842 463828100 /nfs/dbraw/zinc/82/81/00/463828100.db2.gz CUTKZTQAJUUNCE-HNNXBMFYSA-N 2 2 329.448 2.169 10 0 EEAELP Cc1csc2nc(C[N@H+](CC[NH3+])CCc3ccccc3)cc(=O)n12 ZINC000261733992 463843138 /nfs/dbraw/zinc/84/31/38/463843138.db2.gz JWBBYVGHQCBRSF-UHFFFAOYSA-N 2 2 342.468 2.068 10 0 EEAELP Cc1csc2nc(C[N@@H+](CC[NH3+])CCc3ccccc3)cc(=O)n12 ZINC000261733992 463843144 /nfs/dbraw/zinc/84/31/44/463843144.db2.gz JWBBYVGHQCBRSF-UHFFFAOYSA-N 2 2 342.468 2.068 10 0 EEAELP C[N@H+](CC(=O)N1CCSc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261774452 463855294 /nfs/dbraw/zinc/85/52/94/463855294.db2.gz RGWGURBUNSHYIV-YIONKMFJSA-N 2 2 331.485 2.340 10 0 EEAELP C[N@@H+](CC(=O)N1CCSc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261774452 463855300 /nfs/dbraw/zinc/85/53/00/463855300.db2.gz RGWGURBUNSHYIV-YIONKMFJSA-N 2 2 331.485 2.340 10 0 EEAELP CC(C)n1ccnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000178961772 464026657 /nfs/dbraw/zinc/02/66/57/464026657.db2.gz BMZJBTLNQRHKSN-JWTNVVGKSA-N 2 2 331.508 2.207 10 0 EEAELP CC(C)n1ccnc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000178961772 464026663 /nfs/dbraw/zinc/02/66/63/464026663.db2.gz BMZJBTLNQRHKSN-JWTNVVGKSA-N 2 2 331.508 2.207 10 0 EEAELP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297017 464033926 /nfs/dbraw/zinc/03/39/26/464033926.db2.gz WSALCFRHJHGTPG-LZLYRXPVSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297017 464033930 /nfs/dbraw/zinc/03/39/30/464033930.db2.gz WSALCFRHJHGTPG-LZLYRXPVSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297017 464033933 /nfs/dbraw/zinc/03/39/33/464033933.db2.gz WSALCFRHJHGTPG-LZLYRXPVSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297017 464033938 /nfs/dbraw/zinc/03/39/38/464033938.db2.gz WSALCFRHJHGTPG-LZLYRXPVSA-N 2 2 332.492 2.139 10 0 EEAELP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300470 464035585 /nfs/dbraw/zinc/03/55/85/464035585.db2.gz OFUBTYOTVIDZNC-SJLPKXTDSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300470 464035588 /nfs/dbraw/zinc/03/55/88/464035588.db2.gz OFUBTYOTVIDZNC-SJLPKXTDSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300470 464035592 /nfs/dbraw/zinc/03/55/92/464035592.db2.gz OFUBTYOTVIDZNC-SJLPKXTDSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300470 464035595 /nfs/dbraw/zinc/03/55/95/464035595.db2.gz OFUBTYOTVIDZNC-SJLPKXTDSA-N 2 2 344.503 2.283 10 0 EEAELP CCc1ccnc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000180268988 464277424 /nfs/dbraw/zinc/27/74/24/464277424.db2.gz XTFKKKGDQVHMRJ-UHFFFAOYSA-N 2 2 344.503 2.324 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000237993950 464417356 /nfs/dbraw/zinc/41/73/56/464417356.db2.gz QNLXWLWOTOCPND-IBGZPJMESA-N 2 2 336.439 2.054 10 0 EEAELP O[C@@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C[NH+]1CCCCC1 ZINC000189077187 464429018 /nfs/dbraw/zinc/42/90/18/464429018.db2.gz MKAOAMQMNULDBS-IBGZPJMESA-N 2 2 346.450 2.007 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000181005278 464431772 /nfs/dbraw/zinc/43/17/72/464431772.db2.gz DEEJHCNATXRAGZ-GJZGRUSLSA-N 2 2 349.479 2.055 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000245430750 464481043 /nfs/dbraw/zinc/48/10/43/464481043.db2.gz NRZLLOLTUQDZPS-HKUYNNGSSA-N 2 2 343.515 2.497 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000245430750 464481045 /nfs/dbraw/zinc/48/10/45/464481045.db2.gz NRZLLOLTUQDZPS-HKUYNNGSSA-N 2 2 343.515 2.497 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000245430750 464481049 /nfs/dbraw/zinc/48/10/49/464481049.db2.gz NRZLLOLTUQDZPS-HKUYNNGSSA-N 2 2 343.515 2.497 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000245430750 464481057 /nfs/dbraw/zinc/48/10/57/464481057.db2.gz NRZLLOLTUQDZPS-HKUYNNGSSA-N 2 2 343.515 2.497 10 0 EEAELP O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272282011 464549664 /nfs/dbraw/zinc/54/96/64/464549664.db2.gz FQSQXZREHIGIDE-UHFFFAOYSA-N 2 2 339.443 2.404 10 0 EEAELP CC[N@@H+]1CCc2nc(NC(=O)c3c[nH+]ccc3N(C)C)sc2C1 ZINC000183481320 464869092 /nfs/dbraw/zinc/86/90/92/464869092.db2.gz NZGJLUZMCHSDDA-UHFFFAOYSA-N 2 2 331.445 2.234 10 0 EEAELP CC[N@H+]1CCc2nc(NC(=O)c3c[nH+]ccc3N(C)C)sc2C1 ZINC000183481320 464869095 /nfs/dbraw/zinc/86/90/95/464869095.db2.gz NZGJLUZMCHSDDA-UHFFFAOYSA-N 2 2 331.445 2.234 10 0 EEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000253358902 464993329 /nfs/dbraw/zinc/99/33/29/464993329.db2.gz WJQRSBACNAQANK-CABCVRRESA-N 2 2 349.475 2.495 10 0 EEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000253358902 464993336 /nfs/dbraw/zinc/99/33/36/464993336.db2.gz WJQRSBACNAQANK-CABCVRRESA-N 2 2 349.475 2.495 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccsc2Cl)C1=O ZINC000579904263 468429748 /nfs/dbraw/zinc/42/97/48/468429748.db2.gz FXAXYKJDYSPHLI-LBPRGKRZSA-N 2 2 338.864 2.416 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccsc1 ZINC000351846790 465396830 /nfs/dbraw/zinc/39/68/30/465396830.db2.gz WDOBCIALPFCUGC-INIZCTEOSA-N 2 2 341.440 2.362 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371274506 465680635 /nfs/dbraw/zinc/68/06/35/465680635.db2.gz VYMZWXLNVUWOPX-IAGOWNOFSA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000371274506 465680643 /nfs/dbraw/zinc/68/06/43/465680643.db2.gz VYMZWXLNVUWOPX-IAGOWNOFSA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371274506 465680648 /nfs/dbraw/zinc/68/06/48/465680648.db2.gz VYMZWXLNVUWOPX-IAGOWNOFSA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000371274506 465680655 /nfs/dbraw/zinc/68/06/55/465680655.db2.gz VYMZWXLNVUWOPX-IAGOWNOFSA-N 2 2 338.455 2.295 10 0 EEAELP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@@H]3C3CCC3)CC2)nc1 ZINC000337987644 465731547 /nfs/dbraw/zinc/73/15/47/465731547.db2.gz SMMAMGRGUSBYGP-QZTJIDSGSA-N 2 2 329.492 2.157 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000353505014 465939105 /nfs/dbraw/zinc/93/91/05/465939105.db2.gz UFHPQHXCGNRLQM-JKSUJKDBSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000353505014 465939107 /nfs/dbraw/zinc/93/91/07/465939107.db2.gz UFHPQHXCGNRLQM-JKSUJKDBSA-N 2 2 329.448 2.029 10 0 EEAELP C[NH+](C)CCN(Cc1[nH+]ccn1Cc1ccccc1)C[C@H]1CCCO1 ZINC000349058913 465944053 /nfs/dbraw/zinc/94/40/53/465944053.db2.gz ADBXWRDGRSRLST-LJQANCHMSA-N 2 2 342.487 2.474 10 0 EEAELP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c(C2CC2)n1 ZINC000302412268 466138005 /nfs/dbraw/zinc/13/80/05/466138005.db2.gz HFPINRWXEJJQKE-HXUWFJFHSA-N 2 2 338.455 2.427 10 0 EEAELP CSCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000367161278 466166572 /nfs/dbraw/zinc/16/65/72/466166572.db2.gz USDAETZPNAKYFN-XYPWUTKMSA-N 2 2 339.549 2.145 10 0 EEAELP CSCC(C)(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000367161278 466166580 /nfs/dbraw/zinc/16/65/80/466166580.db2.gz USDAETZPNAKYFN-XYPWUTKMSA-N 2 2 339.549 2.145 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000340656177 466245487 /nfs/dbraw/zinc/24/54/87/466245487.db2.gz CKLWNWGCDMQEQN-UHFFFAOYSA-N 2 2 340.349 2.437 10 0 EEAELP COCCN1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361530 468480495 /nfs/dbraw/zinc/48/04/95/468480495.db2.gz DDEDUNXRLUTBSN-VQTJNVASSA-N 2 2 343.515 2.494 10 0 EEAELP COCCN1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361530 468480499 /nfs/dbraw/zinc/48/04/99/468480499.db2.gz DDEDUNXRLUTBSN-VQTJNVASSA-N 2 2 343.515 2.494 10 0 EEAELP C[C@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358188066 466525926 /nfs/dbraw/zinc/52/59/26/466525926.db2.gz KSKUZLGXSITFDV-XJWCYLOLSA-N 2 2 327.472 2.106 10 0 EEAELP C[C@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1=O ZINC000358188066 466525934 /nfs/dbraw/zinc/52/59/34/466525934.db2.gz KSKUZLGXSITFDV-XJWCYLOLSA-N 2 2 327.472 2.106 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CN1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408523975 466678126 /nfs/dbraw/zinc/67/81/26/466678126.db2.gz WRSIZNJKQXJOQU-SJORKVTESA-N 2 2 330.476 2.229 10 0 EEAELP C[N@H+]1CCC[C@@H]1CN1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408523975 466678131 /nfs/dbraw/zinc/67/81/31/466678131.db2.gz WRSIZNJKQXJOQU-SJORKVTESA-N 2 2 330.476 2.229 10 0 EEAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000423200520 466695523 /nfs/dbraw/zinc/69/55/23/466695523.db2.gz MHQYKRDZGYSQLY-CQSZACIVSA-N 2 2 339.505 2.297 10 0 EEAELP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CCC[NH2+]1 ZINC000423425541 466746853 /nfs/dbraw/zinc/74/68/53/466746853.db2.gz MIYMFABZNYHKSG-UGSOOPFHSA-N 2 2 335.448 2.073 10 0 EEAELP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000417079564 466772546 /nfs/dbraw/zinc/77/25/46/466772546.db2.gz SFFNMLNKSADPKK-CQSZACIVSA-N 2 2 341.459 2.281 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1CCC(C)CC1 ZINC000370229166 466805702 /nfs/dbraw/zinc/80/57/02/466805702.db2.gz YFVIJMSZNUNZKO-HNNXBMFYSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC000370229166 466805706 /nfs/dbraw/zinc/80/57/06/466805706.db2.gz YFVIJMSZNUNZKO-HNNXBMFYSA-N 2 2 333.480 2.419 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417984329 467010132 /nfs/dbraw/zinc/01/01/32/467010132.db2.gz METXUCZJBOXFAU-GJZGRUSLSA-N 2 2 342.846 2.262 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417984329 467010135 /nfs/dbraw/zinc/01/01/35/467010135.db2.gz METXUCZJBOXFAU-GJZGRUSLSA-N 2 2 342.846 2.262 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000374178010 467026480 /nfs/dbraw/zinc/02/64/80/467026480.db2.gz WWMGNEKTYAITKL-SFHVURJKSA-N 2 2 336.439 2.466 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000378068082 467190544 /nfs/dbraw/zinc/19/05/44/467190544.db2.gz IZYHWPXBFZYYIZ-HZPDHXFCSA-N 2 2 347.850 2.318 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000378068082 467190545 /nfs/dbraw/zinc/19/05/45/467190545.db2.gz IZYHWPXBFZYYIZ-HZPDHXFCSA-N 2 2 347.850 2.318 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000413439337 467242864 /nfs/dbraw/zinc/24/28/64/467242864.db2.gz NGQMLYFSCCPQSW-QUCCMNQESA-N 2 2 347.478 2.356 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@]1(F)c1ccccc1 ZINC000413439337 467242870 /nfs/dbraw/zinc/24/28/70/467242870.db2.gz NGQMLYFSCCPQSW-QUCCMNQESA-N 2 2 347.478 2.356 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000378492125 467320984 /nfs/dbraw/zinc/32/09/84/467320984.db2.gz GGQJABYCGVRILU-ICSRJNTNSA-N 2 2 345.487 2.180 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000378492125 467320988 /nfs/dbraw/zinc/32/09/88/467320988.db2.gz GGQJABYCGVRILU-ICSRJNTNSA-N 2 2 345.487 2.180 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCc1ccc(Cl)cc1 ZINC000420354172 467375272 /nfs/dbraw/zinc/37/52/72/467375272.db2.gz BOWREPGFCOURBM-SFHVURJKSA-N 2 2 335.879 2.074 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCc1ccc(Cl)cc1 ZINC000420354172 467375275 /nfs/dbraw/zinc/37/52/75/467375275.db2.gz BOWREPGFCOURBM-SFHVURJKSA-N 2 2 335.879 2.074 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420375940 467383883 /nfs/dbraw/zinc/38/38/83/467383883.db2.gz OQOZJSKJTTVIPV-OXJNMPFZSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420375940 467383888 /nfs/dbraw/zinc/38/38/88/467383888.db2.gz OQOZJSKJTTVIPV-OXJNMPFZSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420386782 467389941 /nfs/dbraw/zinc/38/99/41/467389941.db2.gz VQYRSJHWZFNJPV-FUHIMQAGSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420386782 467389942 /nfs/dbraw/zinc/38/99/42/467389942.db2.gz VQYRSJHWZFNJPV-FUHIMQAGSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000397585589 467443489 /nfs/dbraw/zinc/44/34/89/467443489.db2.gz IWXALPVRJMBHFF-MJGOQNOKSA-N 3 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000397585589 467443491 /nfs/dbraw/zinc/44/34/91/467443491.db2.gz IWXALPVRJMBHFF-MJGOQNOKSA-N 3 2 343.515 2.228 10 0 EEAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449395005 467636725 /nfs/dbraw/zinc/63/67/25/467636725.db2.gz PAODRHZDGVASJJ-NVXWUHKLSA-N 2 2 336.476 2.071 10 0 EEAELP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449395005 467636727 /nfs/dbraw/zinc/63/67/27/467636727.db2.gz PAODRHZDGVASJJ-NVXWUHKLSA-N 2 2 336.476 2.071 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(-c2cnn(C)c2)c1 ZINC000449399166 467639659 /nfs/dbraw/zinc/63/96/59/467639659.db2.gz YDQIUTZQLCECCS-IBGZPJMESA-N 2 2 342.487 2.332 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(-c2cnn(C)c2)c1 ZINC000449399166 467639663 /nfs/dbraw/zinc/63/96/63/467639663.db2.gz YDQIUTZQLCECCS-IBGZPJMESA-N 2 2 342.487 2.332 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000458355637 467814455 /nfs/dbraw/zinc/81/44/55/467814455.db2.gz BEFMKCOKJJUTQW-GOSISDBHSA-N 2 2 347.507 2.307 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000458355637 467814458 /nfs/dbraw/zinc/81/44/58/467814458.db2.gz BEFMKCOKJJUTQW-GOSISDBHSA-N 2 2 347.507 2.307 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000458460319 467838596 /nfs/dbraw/zinc/83/85/96/467838596.db2.gz CZRVUCGRSFTBBC-SQNIBIBYSA-N 2 2 348.535 2.425 10 0 EEAELP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000529702501 467897997 /nfs/dbraw/zinc/89/79/97/467897997.db2.gz QKCXLUGFGXBIRL-GOSISDBHSA-N 2 2 326.444 2.252 10 0 EEAELP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC000529702501 467897998 /nfs/dbraw/zinc/89/79/98/467897998.db2.gz QKCXLUGFGXBIRL-GOSISDBHSA-N 2 2 326.444 2.252 10 0 EEAELP Brc1ccc2[nH+]cc(CN[C@@H]3CC[NH2+]C34CCC4)n2c1 ZINC000530179767 467958708 /nfs/dbraw/zinc/95/87/08/467958708.db2.gz XAVSEFWDHRCXTJ-CYBMUJFWSA-N 2 2 335.249 2.471 10 0 EEAELP Brc1ccc2ncc(C[NH2+][C@@H]3CC[NH2+]C34CCC4)n2c1 ZINC000530179767 467958711 /nfs/dbraw/zinc/95/87/11/467958711.db2.gz XAVSEFWDHRCXTJ-CYBMUJFWSA-N 2 2 335.249 2.471 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000531550169 468059589 /nfs/dbraw/zinc/05/95/89/468059589.db2.gz QFFIOLSFYUYWEZ-XHDPSFHLSA-N 2 2 347.850 2.270 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000531550169 468059593 /nfs/dbraw/zinc/05/95/93/468059593.db2.gz QFFIOLSFYUYWEZ-XHDPSFHLSA-N 2 2 347.850 2.270 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550095814 468206587 /nfs/dbraw/zinc/20/65/87/468206587.db2.gz GOXJSQVBUZMGAZ-GDBMZVCRSA-N 2 2 336.798 2.237 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550095814 468206594 /nfs/dbraw/zinc/20/65/94/468206594.db2.gz GOXJSQVBUZMGAZ-GDBMZVCRSA-N 2 2 336.798 2.237 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000567871659 468228291 /nfs/dbraw/zinc/22/82/91/468228291.db2.gz DPYAPPKFEVSANS-FUHWJXTLSA-N 2 2 341.459 2.292 10 0 EEAELP Cc1ccc2[nH+]c(CNc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)cn2c1 ZINC000551587901 468243164 /nfs/dbraw/zinc/24/31/64/468243164.db2.gz LUVWGLWGVGNMNI-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP Cc1ccc2[nH+]c(CNc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)cn2c1 ZINC000551587901 468243168 /nfs/dbraw/zinc/24/31/68/468243168.db2.gz LUVWGLWGVGNMNI-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000569985788 468574295 /nfs/dbraw/zinc/57/42/95/468574295.db2.gz SLJJMHIQCVIMPP-DZGCQCFKSA-N 2 2 330.407 2.226 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000569985788 468574301 /nfs/dbraw/zinc/57/43/01/468574301.db2.gz SLJJMHIQCVIMPP-DZGCQCFKSA-N 2 2 330.407 2.226 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)CCC(=O)N2 ZINC000560349203 468787032 /nfs/dbraw/zinc/78/70/32/468787032.db2.gz AXMCZMIXSVOBHW-PBHICJAKSA-N 2 2 331.460 2.069 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)CCC(=O)N2 ZINC000560349203 468787039 /nfs/dbraw/zinc/78/70/39/468787039.db2.gz AXMCZMIXSVOBHW-PBHICJAKSA-N 2 2 331.460 2.069 10 0 EEAELP O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000584709844 468918641 /nfs/dbraw/zinc/91/86/41/468918641.db2.gz NBWLNHAVHCGNRK-CVEARBPZSA-N 2 2 345.491 2.108 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N(C)CCC[N@H+](C)Cc2ccco2)c1 ZINC000596231040 469215324 /nfs/dbraw/zinc/21/53/24/469215324.db2.gz GBUJHAVXETZTNS-UHFFFAOYSA-N 2 2 331.416 2.348 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000596231040 469215328 /nfs/dbraw/zinc/21/53/28/469215328.db2.gz GBUJHAVXETZTNS-UHFFFAOYSA-N 2 2 331.416 2.348 10 0 EEAELP COc1ccc([C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000573952413 469237212 /nfs/dbraw/zinc/23/72/12/469237212.db2.gz DDZOXCAKQJTNLW-UQVLAFNGSA-N 2 2 331.460 2.122 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)CC2 ZINC000625741457 469370077 /nfs/dbraw/zinc/37/00/77/469370077.db2.gz UDDZKOTXQKMJGD-DLBZAZTESA-N 2 2 330.476 2.231 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@@H](CCF)C3)c2cc1C ZINC000626002273 469465032 /nfs/dbraw/zinc/46/50/32/469465032.db2.gz JZMKKXIXRBGYRQ-CVEARBPZSA-N 2 2 335.423 2.074 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@@H](CCF)C3)c2cc1C ZINC000626002273 469465037 /nfs/dbraw/zinc/46/50/37/469465037.db2.gz JZMKKXIXRBGYRQ-CVEARBPZSA-N 2 2 335.423 2.074 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC[N@@H+]1C ZINC000629387899 469528900 /nfs/dbraw/zinc/52/89/00/469528900.db2.gz IHEFDEFIFINLDC-CRAIPNDOSA-N 2 2 340.471 2.152 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CC[N@H+]1C ZINC000629387899 469528903 /nfs/dbraw/zinc/52/89/03/469528903.db2.gz IHEFDEFIFINLDC-CRAIPNDOSA-N 2 2 340.471 2.152 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@]2(C)CC[NH2+]C2)c(C)c1 ZINC000612896778 469574337 /nfs/dbraw/zinc/57/43/37/469574337.db2.gz MIBCBBHEFJKIDU-HKUYNNGSSA-N 2 2 341.459 2.292 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000629585053 469584832 /nfs/dbraw/zinc/58/48/32/469584832.db2.gz YVZXUJKTMZZYAB-RLLQIKCJSA-N 2 2 327.472 2.112 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)N[C@@H]1CCCc3ccccc31)C2 ZINC000629585053 469584834 /nfs/dbraw/zinc/58/48/34/469584834.db2.gz YVZXUJKTMZZYAB-RLLQIKCJSA-N 2 2 327.472 2.112 10 0 EEAELP C[N@@H+]1CCCC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000623471779 469666719 /nfs/dbraw/zinc/66/67/19/469666719.db2.gz SCSORZNZBMIXQK-INIZCTEOSA-N 2 2 345.491 2.082 10 0 EEAELP C[N@H+]1CCCC[C@@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000623471779 469666723 /nfs/dbraw/zinc/66/67/23/469666723.db2.gz SCSORZNZBMIXQK-INIZCTEOSA-N 2 2 345.491 2.082 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1cn3cc(Cl)ccc3[nH+]1)C2 ZINC000626930219 469759432 /nfs/dbraw/zinc/75/94/32/469759432.db2.gz YTCQJLSGBGQZQI-CALCHBBNSA-N 2 2 347.850 2.129 10 0 EEAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000623881339 469787175 /nfs/dbraw/zinc/78/71/75/469787175.db2.gz KTRPTOFBWHLCSD-IEBWSBKVSA-N 3 2 332.492 2.141 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000617763081 469794651 /nfs/dbraw/zinc/79/46/51/469794651.db2.gz DOXUCRLKSSUKGB-ZIAGYGMSSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000617763081 469794654 /nfs/dbraw/zinc/79/46/54/469794654.db2.gz DOXUCRLKSSUKGB-ZIAGYGMSSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cnc2ccccc2c1 ZINC000617764314 469796680 /nfs/dbraw/zinc/79/66/80/469796680.db2.gz RGNGUMKAPMYSNW-UHFFFAOYSA-N 2 2 342.487 2.167 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cnc2ccccc2c1 ZINC000617764314 469796682 /nfs/dbraw/zinc/79/66/82/469796682.db2.gz RGNGUMKAPMYSNW-UHFFFAOYSA-N 2 2 342.487 2.167 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000617767844 469798430 /nfs/dbraw/zinc/79/84/30/469798430.db2.gz FRICKESNDWUZBE-UHFFFAOYSA-N 2 2 345.409 2.248 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000617767844 469798432 /nfs/dbraw/zinc/79/84/32/469798432.db2.gz FRICKESNDWUZBE-UHFFFAOYSA-N 2 2 345.409 2.248 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000617768502 469799231 /nfs/dbraw/zinc/79/92/31/469799231.db2.gz GTLYTYTXUSUQPE-UHFFFAOYSA-N 2 2 331.382 2.319 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000617768502 469799235 /nfs/dbraw/zinc/79/92/35/469799235.db2.gz GTLYTYTXUSUQPE-UHFFFAOYSA-N 2 2 331.382 2.319 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2ccccc2c1O ZINC000617768196 469799328 /nfs/dbraw/zinc/79/93/28/469799328.db2.gz TXWKYADEJJBHLE-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2ccccc2c1O ZINC000617768196 469799330 /nfs/dbraw/zinc/79/93/30/469799330.db2.gz TXWKYADEJJBHLE-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCCCO1 ZINC000624017167 469817484 /nfs/dbraw/zinc/81/74/84/469817484.db2.gz RKDVWORRYPXQLO-DFQSSKMNSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCCCO1 ZINC000624017167 469817491 /nfs/dbraw/zinc/81/74/91/469817491.db2.gz RKDVWORRYPXQLO-DFQSSKMNSA-N 2 2 331.504 2.350 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000624574850 469980063 /nfs/dbraw/zinc/98/00/63/469980063.db2.gz ACFLUDATNWKLQJ-KCYZZUKISA-N 2 2 332.492 2.237 10 0 EEAELP Cc1nc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000631060073 470059693 /nfs/dbraw/zinc/05/96/93/470059693.db2.gz CKJRNWRKZSHRMV-ZDUSSCGKSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nc(N)[nH+]1 ZINC000631060073 470059696 /nfs/dbraw/zinc/05/96/96/470059696.db2.gz CKJRNWRKZSHRMV-ZDUSSCGKSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(N)nc(NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000631060073 470059697 /nfs/dbraw/zinc/05/96/97/470059697.db2.gz CKJRNWRKZSHRMV-ZDUSSCGKSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(N)nc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000631060073 470059699 /nfs/dbraw/zinc/05/96/99/470059699.db2.gz CKJRNWRKZSHRMV-ZDUSSCGKSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1ccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(F)c1 ZINC000631112631 470071050 /nfs/dbraw/zinc/07/10/50/470071050.db2.gz WXOHDOIKNWPBOB-MRXNPFEDSA-N 2 2 330.407 2.148 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195699 470090357 /nfs/dbraw/zinc/09/03/57/470090357.db2.gz ZWLJSYKCFWLOBB-CRAIPNDOSA-N 2 2 326.444 2.343 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195699 470090362 /nfs/dbraw/zinc/09/03/62/470090362.db2.gz ZWLJSYKCFWLOBB-CRAIPNDOSA-N 2 2 326.444 2.343 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000621911063 470127357 /nfs/dbraw/zinc/12/73/57/470127357.db2.gz ROHVMGKKNNQMAP-GOEBONIOSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000621911063 470127360 /nfs/dbraw/zinc/12/73/60/470127360.db2.gz ROHVMGKKNNQMAP-GOEBONIOSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000621911063 470127364 /nfs/dbraw/zinc/12/73/64/470127364.db2.gz ROHVMGKKNNQMAP-GOEBONIOSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C[N@H+]1Cc1ccccc1 ZINC000621911063 470127367 /nfs/dbraw/zinc/12/73/67/470127367.db2.gz ROHVMGKKNNQMAP-GOEBONIOSA-N 2 2 326.444 2.467 10 0 EEAELP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000634717305 470285242 /nfs/dbraw/zinc/28/52/42/470285242.db2.gz JHOPYNYRGUAEGF-FQEVSTJZSA-N 2 2 325.456 2.425 10 0 EEAELP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000634717305 470285243 /nfs/dbraw/zinc/28/52/43/470285243.db2.gz JHOPYNYRGUAEGF-FQEVSTJZSA-N 2 2 325.456 2.425 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000648721499 470325702 /nfs/dbraw/zinc/32/57/02/470325702.db2.gz RZCKYDIKTGLDHN-OAHLLOKOSA-N 2 2 330.432 2.334 10 0 EEAELP C[NH+]1CCC2(CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C2)CC1 ZINC000633124811 470356287 /nfs/dbraw/zinc/35/62/87/470356287.db2.gz FMJCORMCXDNISG-UHFFFAOYSA-N 2 2 338.455 2.359 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(-c3c[nH]c[nH+]3)cc1)CC2 ZINC000633526269 470496714 /nfs/dbraw/zinc/49/67/14/470496714.db2.gz XYPVBBAHGSTXLP-INIZCTEOSA-N 2 2 335.411 2.460 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)NC/C=C/C[NH3+] ZINC000641870136 470505378 /nfs/dbraw/zinc/50/53/78/470505378.db2.gz PLNCJVDYIWQMHL-RGDDUWESSA-N 2 2 327.432 2.034 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc2cc(O)ccc21 ZINC000633616900 470533007 /nfs/dbraw/zinc/53/30/07/470533007.db2.gz HWSSQGHNQDNDAG-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc2cc(O)ccc21 ZINC000633616900 470533011 /nfs/dbraw/zinc/53/30/11/470533011.db2.gz HWSSQGHNQDNDAG-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])o2)[C@H]1c1ccc(F)c(F)c1 ZINC000646280085 470589860 /nfs/dbraw/zinc/58/98/60/470589860.db2.gz TUHOADZLVGYQIH-GOEBONIOSA-N 2 2 335.354 2.192 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])o2)[C@H]1c1ccc(F)c(F)c1 ZINC000646280085 470589863 /nfs/dbraw/zinc/58/98/63/470589863.db2.gz TUHOADZLVGYQIH-GOEBONIOSA-N 2 2 335.354 2.192 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000643056785 470607462 /nfs/dbraw/zinc/60/74/62/470607462.db2.gz GYCIKUIRFOADBA-KRWDZBQOSA-N 2 2 347.503 2.318 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)cn21 ZINC000647098487 470824754 /nfs/dbraw/zinc/82/47/54/470824754.db2.gz QPABVSOOCRKINN-KRWDZBQOSA-N 2 2 340.402 2.183 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2n(n1)CCCC2 ZINC000647295052 470877780 /nfs/dbraw/zinc/87/77/80/470877780.db2.gz YECUWPWESJLENY-GDIGMMSISA-N 2 2 332.492 2.248 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000650631700 470926987 /nfs/dbraw/zinc/92/69/87/470926987.db2.gz MFZJVZXRRIRLIU-UHFFFAOYSA-N 2 2 347.507 2.459 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000650631700 470926990 /nfs/dbraw/zinc/92/69/90/470926990.db2.gz MFZJVZXRRIRLIU-UHFFFAOYSA-N 2 2 347.507 2.459 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCC1(c2ccccc2)CC1 ZINC000647901231 471012242 /nfs/dbraw/zinc/01/22/42/471012242.db2.gz LJALYLUVOQBJLF-HKUYNNGSSA-N 2 2 341.499 2.298 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCC1(c2ccccc2)CC1 ZINC000647901231 471012246 /nfs/dbraw/zinc/01/22/46/471012246.db2.gz LJALYLUVOQBJLF-HKUYNNGSSA-N 2 2 341.499 2.298 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901833 471012619 /nfs/dbraw/zinc/01/26/19/471012619.db2.gz WDPFPLDREBSEAQ-JQHSSLGASA-N 2 2 345.487 2.164 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901833 471012622 /nfs/dbraw/zinc/01/26/22/471012622.db2.gz WDPFPLDREBSEAQ-JQHSSLGASA-N 2 2 345.487 2.164 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1c1ccccc1 ZINC000651593614 471049007 /nfs/dbraw/zinc/04/90/07/471049007.db2.gz QNKULUKOMRLFDU-XLIONFOSSA-N 2 2 338.455 2.324 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1c1ccccc1 ZINC000651593614 471049013 /nfs/dbraw/zinc/04/90/13/471049013.db2.gz QNKULUKOMRLFDU-XLIONFOSSA-N 2 2 338.455 2.324 10 0 EEAELP C[NH+](C)C1CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000644852935 471066103 /nfs/dbraw/zinc/06/61/03/471066103.db2.gz WTAKGXGMPSVSIH-QGZVFWFLSA-N 2 2 326.444 2.484 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651690665 471085444 /nfs/dbraw/zinc/08/54/44/471085444.db2.gz PNNXYBHSSIYUJG-MRXNPFEDSA-N 2 2 338.455 2.173 10 0 EEAELP COC1(C[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CCCC1 ZINC000657800482 471236007 /nfs/dbraw/zinc/23/60/07/471236007.db2.gz FNBUOYTXJARFQS-IBGZPJMESA-N 2 2 331.504 2.351 10 0 EEAELP COC1(C[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCCC1 ZINC000657800482 471236008 /nfs/dbraw/zinc/23/60/08/471236008.db2.gz FNBUOYTXJARFQS-IBGZPJMESA-N 2 2 331.504 2.351 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000652123358 471239650 /nfs/dbraw/zinc/23/96/50/471239650.db2.gz KTFIUOAZNNGJRX-UHFFFAOYSA-N 2 2 337.427 2.096 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000655083452 471262710 /nfs/dbraw/zinc/26/27/10/471262710.db2.gz YGVJSUATOPZXEP-ZDUSSCGKSA-N 2 2 342.434 2.490 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3(C4CCC4)CCC3)C2)CC1 ZINC000652370688 471280964 /nfs/dbraw/zinc/28/09/64/471280964.db2.gz KEPNBKRYBVRMOG-QGZVFWFLSA-N 2 2 348.535 2.425 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC3(C4CCC4)CCC3)C2)CC1 ZINC000652370688 471280966 /nfs/dbraw/zinc/28/09/66/471280966.db2.gz KEPNBKRYBVRMOG-QGZVFWFLSA-N 2 2 348.535 2.425 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655240715 471288998 /nfs/dbraw/zinc/28/89/98/471288998.db2.gz CHWDMIFXKBPKIO-FPCVCCKLSA-N 2 2 336.480 2.011 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655240715 471288999 /nfs/dbraw/zinc/28/89/99/471288999.db2.gz CHWDMIFXKBPKIO-FPCVCCKLSA-N 2 2 336.480 2.011 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000666277833 471337048 /nfs/dbraw/zinc/33/70/48/471337048.db2.gz WMLNPFNOTIWLJK-UHFFFAOYSA-N 2 2 346.475 2.211 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000666277833 471337053 /nfs/dbraw/zinc/33/70/53/471337053.db2.gz 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CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@H+](C)C1 ZINC000663553908 471423012 /nfs/dbraw/zinc/42/30/12/471423012.db2.gz NKXGBXIRJQBTFR-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CCN(C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@H]1CC[N@@H+](C)C1 ZINC000663553908 471423014 /nfs/dbraw/zinc/42/30/14/471423014.db2.gz NKXGBXIRJQBTFR-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669496489 471522401 /nfs/dbraw/zinc/52/24/01/471522401.db2.gz ZVQSBMXFVBYSAQ-IRXDYDNUSA-N 2 2 347.507 2.460 10 0 EEAELP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CCC(F)CC1 ZINC000666930102 471592767 /nfs/dbraw/zinc/59/27/67/471592767.db2.gz WWPNBFWLKNVGNR-FHERZECASA-N 2 2 330.492 2.086 10 0 EEAELP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CCC(F)CC1 ZINC000666930102 471592771 /nfs/dbraw/zinc/59/27/71/471592771.db2.gz WWPNBFWLKNVGNR-FHERZECASA-N 2 2 330.492 2.086 10 0 EEAELP C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1[nH+]ccn1C ZINC000661030112 471595293 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CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001485685281 1191896931 /nfs/dbraw/zinc/89/69/31/1191896931.db2.gz RYBJKTXUHHWMNC-ZQIUZPCESA-N 2 2 333.480 2.075 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1 ZINC001485792758 1191955339 /nfs/dbraw/zinc/95/53/39/1191955339.db2.gz CLCSCSJTWRGHTF-QGZVFWFLSA-N 2 2 332.423 2.343 10 0 EEAELP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001266480785 1176611492 /nfs/dbraw/zinc/61/14/92/1176611492.db2.gz XTVFFJDQCOEJDC-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001266480785 1176611498 /nfs/dbraw/zinc/61/14/98/1176611498.db2.gz XTVFFJDQCOEJDC-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266661990 1177081093 /nfs/dbraw/zinc/08/10/93/1177081093.db2.gz BQXBECOQEVPHFC-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266661990 1177081100 /nfs/dbraw/zinc/08/11/00/1177081100.db2.gz BQXBECOQEVPHFC-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H]2C[C@@H]([NH2+]CCOCC(F)F)C2)c(C)[nH+]1 ZINC001266701547 1177225985 /nfs/dbraw/zinc/22/59/85/1177225985.db2.gz WZOBHBRKQLZINN-OKILXGFUSA-N 2 2 341.402 2.139 10 0 EEAELP CN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001691368715 1177973690 /nfs/dbraw/zinc/97/36/90/1177973690.db2.gz BEZNZJUWDAMZFM-QGZVFWFLSA-N 2 2 344.434 2.163 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001267178766 1178430168 /nfs/dbraw/zinc/43/01/68/1178430168.db2.gz ZOTFIPAOOPESDJ-SFHVURJKSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001267178766 1178430172 /nfs/dbraw/zinc/43/01/72/1178430172.db2.gz ZOTFIPAOOPESDJ-SFHVURJKSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001267434302 1179003952 /nfs/dbraw/zinc/00/39/52/1179003952.db2.gz WATCZSKRWKXXQA-GFCCVEGCSA-N 2 2 335.477 2.156 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1cscn1 ZINC001481044957 1179623353 /nfs/dbraw/zinc/62/33/53/1179623353.db2.gz VSEYKKJAVOLJIU-HZPDHXFCSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1cscn1 ZINC001481044957 1179623356 /nfs/dbraw/zinc/62/33/56/1179623356.db2.gz VSEYKKJAVOLJIU-HZPDHXFCSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC001481044957 1179623363 /nfs/dbraw/zinc/62/33/63/1179623363.db2.gz VSEYKKJAVOLJIU-HZPDHXFCSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cscn1 ZINC001481044957 1179623367 /nfs/dbraw/zinc/62/33/67/1179623367.db2.gz VSEYKKJAVOLJIU-HZPDHXFCSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001267751788 1180411200 /nfs/dbraw/zinc/41/12/00/1180411200.db2.gz KRSZMJKDWVRJSP-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001267751788 1180411203 /nfs/dbraw/zinc/41/12/03/1180411203.db2.gz KRSZMJKDWVRJSP-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP COCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267764639 1180447524 /nfs/dbraw/zinc/44/75/24/1180447524.db2.gz WYDHKMBIJHBQHA-KRWDZBQOSA-N 2 2 344.459 2.216 10 0 EEAELP COCCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001267764639 1180447527 /nfs/dbraw/zinc/44/75/27/1180447527.db2.gz WYDHKMBIJHBQHA-KRWDZBQOSA-N 2 2 344.459 2.216 10 0 EEAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC[C@H]1CCOC1 ZINC001267811540 1180566639 /nfs/dbraw/zinc/56/66/39/1180566639.db2.gz KZXFQZVXZRAXIC-JKSUJKDBSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481449696 1181377330 /nfs/dbraw/zinc/37/73/30/1181377330.db2.gz GSOMNOOLURTLLC-ZBFHGGJFSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001481449696 1181377336 /nfs/dbraw/zinc/37/73/36/1181377336.db2.gz GSOMNOOLURTLLC-ZBFHGGJFSA-N 2 2 345.447 2.159 10 0 EEAELP C[C@@H](CC(=O)NC1C[NH+](CCCCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001481586054 1181803350 /nfs/dbraw/zinc/80/33/50/1181803350.db2.gz OJWAGGITJFYYHP-INIZCTEOSA-N 2 2 348.491 2.232 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001268156591 1181857363 /nfs/dbraw/zinc/85/73/63/1181857363.db2.gz KPKLETBKXAQWFI-SFHVURJKSA-N 2 2 341.459 2.229 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)oc1C ZINC001268159710 1181871401 /nfs/dbraw/zinc/87/14/01/1181871401.db2.gz DBFFTLUPSTVJFW-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP C[C@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268386055 1182424896 /nfs/dbraw/zinc/42/48/96/1182424896.db2.gz NEELWKHZSLYHSU-CABCVRRESA-N 2 2 344.459 2.247 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001268407380 1182523445 /nfs/dbraw/zinc/52/34/45/1182523445.db2.gz TUMAKHGRFJNJMD-QWHCGFSZSA-N 2 2 335.477 2.284 10 0 EEAELP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001481768870 1182652278 /nfs/dbraw/zinc/65/22/78/1182652278.db2.gz UBCJBXNHVSJWAW-IRXDYDNUSA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001481768870 1182652282 /nfs/dbraw/zinc/65/22/82/1182652282.db2.gz UBCJBXNHVSJWAW-IRXDYDNUSA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001481768870 1182652284 /nfs/dbraw/zinc/65/22/84/1182652284.db2.gz UBCJBXNHVSJWAW-IRXDYDNUSA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001481768870 1182652288 /nfs/dbraw/zinc/65/22/88/1182652288.db2.gz UBCJBXNHVSJWAW-IRXDYDNUSA-N 2 2 348.491 2.280 10 0 EEAELP C[C@H]1CCCC[C@@]1(C[NH2+]CCC1CC1)NC(=O)Cc1c[nH+]cn1C ZINC001481960991 1183042809 /nfs/dbraw/zinc/04/28/09/1183042809.db2.gz KFQPASXEGMUCQP-KXBFYZLASA-N 2 2 332.492 2.417 10 0 EEAELP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001482018109 1183138164 /nfs/dbraw/zinc/13/81/64/1183138164.db2.gz LJJSMONQKOHMRX-KLHDSHLOSA-N 2 2 336.455 2.211 10 0 EEAELP O=C(NC[C@H]1C[N@H+](CCCCCF)CCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001482190785 1183602822 /nfs/dbraw/zinc/60/28/22/1183602822.db2.gz PHVNMPHFLUILOB-HNNXBMFYSA-N 2 2 348.422 2.133 10 0 EEAELP O=C(NC[C@H]1C[N@@H+](CCCCCF)CCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001482190785 1183602827 /nfs/dbraw/zinc/60/28/27/1183602827.db2.gz PHVNMPHFLUILOB-HNNXBMFYSA-N 2 2 348.422 2.133 10 0 EEAELP CC1(NC(=O)CCn2cc[nH+]c2)CC[NH+](CCOCC2CCC2)CC1 ZINC001270242607 1184952182 /nfs/dbraw/zinc/95/21/82/1184952182.db2.gz FOJSASDPDVAWNS-UHFFFAOYSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@@H](CC(=O)NC1(C)CC[NH+](CCOCC2CC2)CC1)n1cc[nH+]c1 ZINC001270248692 1184957361 /nfs/dbraw/zinc/95/73/61/1184957361.db2.gz HIBSMSPQHGOXKB-INIZCTEOSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@]1(C[NH2+]CCc2cccs2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001270737746 1185356447 /nfs/dbraw/zinc/35/64/47/1185356447.db2.gz SNZWLPVFDCDQHX-SFHVURJKSA-N 2 2 346.500 2.475 10 0 EEAELP C[C@@]1(C[NH2+]CCc2cccs2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001270737746 1185356454 /nfs/dbraw/zinc/35/64/54/1185356454.db2.gz SNZWLPVFDCDQHX-SFHVURJKSA-N 2 2 346.500 2.475 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@H]1[NH2+]CCCCCF ZINC001271416609 1186203326 /nfs/dbraw/zinc/20/33/26/1186203326.db2.gz MLNUIFMDERXKGS-HZPDHXFCSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@H]([NH2+]CCCF)C(C)C)[nH+]c12 ZINC001271915004 1186617915 /nfs/dbraw/zinc/61/79/15/1186617915.db2.gz GSEXIWMDHRXZJF-INIZCTEOSA-N 2 2 334.439 2.275 10 0 EEAELP CCc1onc(C)c1C[NH2+][C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001482567470 1186869596 /nfs/dbraw/zinc/86/95/96/1186869596.db2.gz HZVYYPNWCCNWLJ-INIZCTEOSA-N 2 2 347.463 2.050 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954819 1187882540 /nfs/dbraw/zinc/88/25/40/1187882540.db2.gz PWXMSNYTJVCYGT-IRXDYDNUSA-N 2 2 348.491 2.246 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001482954819 1187882548 /nfs/dbraw/zinc/88/25/48/1187882548.db2.gz PWXMSNYTJVCYGT-IRXDYDNUSA-N 2 2 348.491 2.246 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001691555609 1188258337 /nfs/dbraw/zinc/25/83/37/1188258337.db2.gz HOVVKLUBQDSQMH-YFHOEESVSA-N 2 2 326.444 2.449 10 0 EEAELP CCO[C@H](C[NH2+]C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001483128732 1188607455 /nfs/dbraw/zinc/60/74/55/1188607455.db2.gz JRTGXWVAINKEMU-CXAGYDPISA-N 2 2 344.459 2.166 10 0 EEAELP CC(C)c1ocnc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001409388595 1189610422 /nfs/dbraw/zinc/61/04/22/1189610422.db2.gz SWPHZWMUUZUURF-KGLIPLIRSA-N 2 2 333.436 2.068 10 0 EEAELP CC(C)COCC[NH2+][C@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001485901446 1193633759 /nfs/dbraw/zinc/63/37/59/1193633759.db2.gz XMPVTRZAOYKCPO-OAHLLOKOSA-N 2 2 332.448 2.057 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001485929783 1193649163 /nfs/dbraw/zinc/64/91/63/1193649163.db2.gz DSZKHOUDHVETNS-GDBMZVCRSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCC(F)(F)F)CC2 ZINC001409632999 1190133436 /nfs/dbraw/zinc/13/34/36/1190133436.db2.gz SRUINDTZQIJOCJ-YPMHNXCESA-N 2 2 346.397 2.143 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CCC(F)(F)F)CC2 ZINC001409632999 1190133437 /nfs/dbraw/zinc/13/34/37/1190133437.db2.gz SRUINDTZQIJOCJ-YPMHNXCESA-N 2 2 346.397 2.143 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC001409685482 1190186790 /nfs/dbraw/zinc/18/67/90/1190186790.db2.gz CEXKQGFKSZHCBU-AEFFLSMTSA-N 2 2 340.471 2.440 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC001409685482 1190186795 /nfs/dbraw/zinc/18/67/95/1190186795.db2.gz CEXKQGFKSZHCBU-AEFFLSMTSA-N 2 2 340.471 2.440 10 0 EEAELP C[C@H](C[N@H+](C)Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483351631 1190386891 /nfs/dbraw/zinc/38/68/91/1190386891.db2.gz AZGCKBXQEMWKPK-ZBFHGGJFSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483351631 1190386894 /nfs/dbraw/zinc/38/68/94/1190386894.db2.gz AZGCKBXQEMWKPK-ZBFHGGJFSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H](C[NH+](C)Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483351631 1190386897 /nfs/dbraw/zinc/38/68/97/1190386897.db2.gz AZGCKBXQEMWKPK-ZBFHGGJFSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H](C[NH+](C)Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483351631 1190386899 /nfs/dbraw/zinc/38/68/99/1190386899.db2.gz AZGCKBXQEMWKPK-ZBFHGGJFSA-N 2 2 344.459 2.249 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001486120271 1193687558 /nfs/dbraw/zinc/68/75/58/1193687558.db2.gz NEEHYPRBDAWNOX-CVEARBPZSA-N 2 2 344.459 2.342 10 0 EEAELP C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(Cl)nc2)CC1)n1cc[nH+]c1 ZINC001483771889 1191007020 /nfs/dbraw/zinc/00/70/20/1191007020.db2.gz PTCNHFJLAFDHIR-ZDUSSCGKSA-N 2 2 347.850 2.321 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001484446066 1191359831 /nfs/dbraw/zinc/35/98/31/1191359831.db2.gz GJYWJACYRBJWND-NIAAJLDISA-N 2 2 348.491 2.134 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001484446066 1191359834 /nfs/dbraw/zinc/35/98/34/1191359834.db2.gz GJYWJACYRBJWND-NIAAJLDISA-N 2 2 348.491 2.134 10 0 EEAELP CCC[NH2+]CC1(c2ccccc2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001484945158 1191588689 /nfs/dbraw/zinc/58/86/89/1191588689.db2.gz DADOFOMRSNQJBO-UHFFFAOYSA-N 2 2 340.471 2.443 10 0 EEAELP CC[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001410055164 1197524536 /nfs/dbraw/zinc/52/45/36/1197524536.db2.gz DGJZNJAMXZHLOY-LEUOFYLZSA-N 2 2 344.503 2.102 10 0 EEAELP CC[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001410055164 1197524540 /nfs/dbraw/zinc/52/45/40/1197524540.db2.gz DGJZNJAMXZHLOY-LEUOFYLZSA-N 2 2 344.503 2.102 10 0 EEAELP C[C@H](CC[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001273212897 1197560075 /nfs/dbraw/zinc/56/00/75/1197560075.db2.gz VMXNXBTVQSNWNQ-ZIAGYGMSSA-N 2 2 328.407 2.193 10 0 EEAELP CC(C)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001411028238 1198707738 /nfs/dbraw/zinc/70/77/38/1198707738.db2.gz VTOVNKFOHGNVOF-KGLIPLIRSA-N 2 2 346.397 2.156 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001411028249 1198708072 /nfs/dbraw/zinc/70/80/72/1198708072.db2.gz VTOVNKFOHGNVOF-UONOGXRCSA-N 2 2 346.397 2.156 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)o1 ZINC001411215516 1198924421 /nfs/dbraw/zinc/92/44/21/1198924421.db2.gz KMOPKKCTRAGXAE-HNNXBMFYSA-N 2 2 347.463 2.063 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)/C=C/C3(C)CCOCC3)c2)CC1 ZINC000870665482 1200801511 /nfs/dbraw/zinc/80/15/11/1200801511.db2.gz VUIKDKDGSPXBGP-HWKANZROSA-N 2 2 344.459 2.145 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000866365931 1201501572 /nfs/dbraw/zinc/50/15/72/1201501572.db2.gz ZNOCKRAWNTYDAI-WMZOPIPTSA-N 2 2 326.444 2.404 10 0 EEAELP C[NH+]1CCC(CNC(=O)Nc2cccc(F)n2)([NH+]2CCCCC2)CC1 ZINC000134326849 1202304699 /nfs/dbraw/zinc/30/46/99/1202304699.db2.gz KSXQOGSCCGJOOW-UHFFFAOYSA-N 2 2 349.454 2.293 10 0 EEAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COc1ccc(C(F)(F)F)cc1 ZINC000925567942 1206129530 /nfs/dbraw/zinc/12/95/30/1206129530.db2.gz MKXYIQPTCRZVTF-HIFRSBDPSA-N 2 2 344.377 2.319 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)OCCO2 ZINC000925792775 1206154317 /nfs/dbraw/zinc/15/43/17/1206154317.db2.gz HAGXXZBLWOHGRR-HOCLYGCPSA-N 2 2 332.444 2.267 10 0 EEAELP C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[NH+](C)C ZINC000928121460 1206348178 /nfs/dbraw/zinc/34/81/78/1206348178.db2.gz IKWQPVONDKRAOX-NWANDNLSSA-N 2 2 343.393 2.116 10 0 EEAELP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[NH+](C)C ZINC000928121460 1206348181 /nfs/dbraw/zinc/34/81/81/1206348181.db2.gz IKWQPVONDKRAOX-NWANDNLSSA-N 2 2 343.393 2.116 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3C)c2)cc[nH+]1 ZINC000928436560 1206383873 /nfs/dbraw/zinc/38/38/73/1206383873.db2.gz JNPGHYNTRMTQIM-DYVFJYSZSA-N 2 2 339.443 2.220 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+](C)[C@@H]3C)c2)cc[nH+]1 ZINC000928436560 1206383876 /nfs/dbraw/zinc/38/38/76/1206383876.db2.gz JNPGHYNTRMTQIM-DYVFJYSZSA-N 2 2 339.443 2.220 10 0 EEAELP Cc1ncsc1CC[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001276332489 1215753650 /nfs/dbraw/zinc/75/36/50/1215753650.db2.gz GBCRYFNSCIEYSX-UHFFFAOYSA-N 2 2 349.504 2.133 10 0 EEAELP O=C(CC[NH2+]C1C[C@@H]2CCC[C@H]2C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000902783162 1238522440 /nfs/dbraw/zinc/52/24/40/1238522440.db2.gz AHJHTNBFSJOABK-IRXDYDNUSA-N 2 2 342.487 2.289 10 0 EEAELP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902793361 1238544374 /nfs/dbraw/zinc/54/43/74/1238544374.db2.gz IKIYBZUFRPVYKT-DLBZAZTESA-N 3 2 327.476 2.159 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)c1cccc(-n2ccnc2)c1 ZINC000903005266 1239316201 /nfs/dbraw/zinc/31/62/01/1239316201.db2.gz QDPCLNYQRIWQPZ-LPHOPBHVSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)c1cccc(-n2ccnc2)c1 ZINC000903005266 1239316213 /nfs/dbraw/zinc/31/62/13/1239316213.db2.gz QDPCLNYQRIWQPZ-LPHOPBHVSA-N 2 2 328.460 2.370 10 0 EEAELP CCOC(=O)N1CCC([NH2+][C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903378465 1240346816 /nfs/dbraw/zinc/34/68/16/1240346816.db2.gz CIHHCNXTSMLKMI-KRWDZBQOSA-N 2 2 334.464 2.285 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCc3cc(F)c(F)cc3C2)cnn1C ZINC000903947818 1242661822 /nfs/dbraw/zinc/66/18/22/1242661822.db2.gz IOSZLEQFSMLCRS-CYBMUJFWSA-N 2 2 334.414 2.182 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCc3cc(F)c(F)cc3C2)cnn1C ZINC000903947818 1242661829 /nfs/dbraw/zinc/66/18/29/1242661829.db2.gz IOSZLEQFSMLCRS-CYBMUJFWSA-N 2 2 334.414 2.182 10 0 EEAELP CC(C)C[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000903988034 1242885726 /nfs/dbraw/zinc/88/57/26/1242885726.db2.gz MTDSEHLPGYXXHA-QGZVFWFLSA-N 2 2 328.464 2.256 10 0 EEAELP CC(C)C[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccn1 ZINC000903988034 1242885745 /nfs/dbraw/zinc/88/57/45/1242885745.db2.gz MTDSEHLPGYXXHA-QGZVFWFLSA-N 2 2 328.464 2.256 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001491040671 1258597203 /nfs/dbraw/zinc/59/72/03/1258597203.db2.gz YWHCNUUCGCGFFT-GASCZTMLSA-N 2 2 332.835 2.364 10 0 EEAELP Cc1nc(C[NH2+]C2CCC(NC(=O)CCn3cc[nH+]c3)CC2)c(C)o1 ZINC001491358798 1258997854 /nfs/dbraw/zinc/99/78/54/1258997854.db2.gz YUGCDJBTBTXFRO-UHFFFAOYSA-N 2 2 345.447 2.095 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001491507548 1259158633 /nfs/dbraw/zinc/15/86/33/1259158633.db2.gz JWTQLYZNRDWSKO-DOTOQJQBSA-N 2 2 326.444 2.048 10 0 EEAELP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCCC1 ZINC000823701084 1277931124 /nfs/dbraw/zinc/93/11/24/1277931124.db2.gz KKSSYOZCFKGTOP-RTBURBONSA-N 2 2 329.488 2.355 10 0 EEAELP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CCCC1 ZINC000823701084 1277931129 /nfs/dbraw/zinc/93/11/29/1277931129.db2.gz KKSSYOZCFKGTOP-RTBURBONSA-N 2 2 329.488 2.355 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001488838946 1290259169 /nfs/dbraw/zinc/25/91/69/1290259169.db2.gz WOTUKUBFNJFUCM-ULQDDVLXSA-N 2 2 332.492 2.366 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1csc(C)n1 ZINC001490282384 1291113699 /nfs/dbraw/zinc/11/36/99/1291113699.db2.gz VIVAFBGAFAKFAZ-MRXNPFEDSA-N 2 2 338.521 2.264 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1csc(C)n1 ZINC001490282384 1291113707 /nfs/dbraw/zinc/11/37/07/1291113707.db2.gz VIVAFBGAFAKFAZ-MRXNPFEDSA-N 2 2 338.521 2.264 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1csc(C)n1 ZINC001490282384 1291113731 /nfs/dbraw/zinc/11/37/31/1291113731.db2.gz VIVAFBGAFAKFAZ-MRXNPFEDSA-N 2 2 338.521 2.264 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1csc(C)n1 ZINC001490282384 1291113747 /nfs/dbraw/zinc/11/37/47/1291113747.db2.gz VIVAFBGAFAKFAZ-MRXNPFEDSA-N 2 2 338.521 2.264 10 0 EEAELP O=C(NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490673896 1291558198 /nfs/dbraw/zinc/55/81/98/1291558198.db2.gz MCCHFJURLFFVRV-ZACQAIPSSA-N 2 2 328.460 2.498 10 0 EEAELP O=C(NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001490673896 1291558200 /nfs/dbraw/zinc/55/82/00/1291558200.db2.gz MCCHFJURLFFVRV-ZACQAIPSSA-N 2 2 328.460 2.498 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\c1ccnc2ccccc12 ZINC000855415334 1293209596 /nfs/dbraw/zinc/20/95/96/1293209596.db2.gz VLFGJRJSJKFVEE-KTKRTIGZSA-N 2 2 340.471 2.248 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\c1ccnc2ccccc12 ZINC000855415334 1293209602 /nfs/dbraw/zinc/20/96/02/1293209602.db2.gz VLFGJRJSJKFVEE-KTKRTIGZSA-N 2 2 340.471 2.248 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000857309278 1293789903 /nfs/dbraw/zinc/78/99/03/1293789903.db2.gz YQBWNVXQALIVLG-UHFFFAOYSA-N 2 2 347.290 2.189 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000857309278 1293789908 /nfs/dbraw/zinc/78/99/08/1293789908.db2.gz YQBWNVXQALIVLG-UHFFFAOYSA-N 2 2 347.290 2.189 10 0 EEAELP c1n[nH]c2c1CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000857848354 1293929789 /nfs/dbraw/zinc/92/97/89/1293929789.db2.gz HYZXIDWPKJERAT-SFHVURJKSA-N 2 2 326.444 2.409 10 0 EEAELP CCON(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000858223445 1294051478 /nfs/dbraw/zinc/05/14/78/1294051478.db2.gz SFDHYMFCVFDMEC-FUHWJXTLSA-N 2 2 333.476 2.429 10 0 EEAELP CCON(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000858223445 1294051480 /nfs/dbraw/zinc/05/14/80/1294051480.db2.gz SFDHYMFCVFDMEC-FUHWJXTLSA-N 2 2 333.476 2.429 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000862452129 1295849844 /nfs/dbraw/zinc/84/98/44/1295849844.db2.gz JLZNFKBDPPCTQQ-NVXWUHKLSA-N 2 2 325.497 2.419 10 0 EEAELP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001276791475 1297745693 /nfs/dbraw/zinc/74/56/93/1297745693.db2.gz VLTAJZAVHHLDBJ-SJLPKXTDSA-N 2 2 348.491 2.059 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001276875657 1300037379 /nfs/dbraw/zinc/03/73/79/1300037379.db2.gz OUUOYQGJPXRVIC-OAHLLOKOSA-N 2 2 330.432 2.040 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001276875657 1300037390 /nfs/dbraw/zinc/03/73/90/1300037390.db2.gz OUUOYQGJPXRVIC-OAHLLOKOSA-N 2 2 330.432 2.040 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001277001354 1300766172 /nfs/dbraw/zinc/76/61/72/1300766172.db2.gz LTFLXJJAWGUFPD-BRWVUGGUSA-N 2 2 332.492 2.366 10 0 EEAELP C[N@H+](CCOCCNC(=O)c1cccc2[nH+]ccn21)CC1CCCC1 ZINC001277507695 1303743188 /nfs/dbraw/zinc/74/31/88/1303743188.db2.gz KSTHCRZTTJCVFR-UHFFFAOYSA-N 2 2 344.459 2.203 10 0 EEAELP C[N@@H+](CCOCCNC(=O)c1cccc2[nH+]ccn21)CC1CCCC1 ZINC001277507695 1303743193 /nfs/dbraw/zinc/74/31/93/1303743193.db2.gz KSTHCRZTTJCVFR-UHFFFAOYSA-N 2 2 344.459 2.203 10 0 EEAELP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCCOc2ccccc2)C1 ZINC001277610258 1303997486 /nfs/dbraw/zinc/99/74/86/1303997486.db2.gz LIWBABZWDUNQIW-UHFFFAOYSA-N 2 2 345.487 2.082 10 0 EEAELP C[N@H+]1[C@@H]2CC[C@H]1CC(NC[C@H]1C[NH+](C)CCN1Cc1ccccc1)C2 ZINC000694751948 1304134405 /nfs/dbraw/zinc/13/44/05/1304134405.db2.gz KWYXDRMAYVJMOP-VTHDOGFWSA-N 2 2 342.531 2.017 10 0 EEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC(NC[C@H]1C[NH+](C)CCN1Cc1ccccc1)C2 ZINC000694751948 1304134410 /nfs/dbraw/zinc/13/44/10/1304134410.db2.gz KWYXDRMAYVJMOP-VTHDOGFWSA-N 2 2 342.531 2.017 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)C2 ZINC000694751948 1304134415 /nfs/dbraw/zinc/13/44/15/1304134415.db2.gz KWYXDRMAYVJMOP-VTHDOGFWSA-N 2 2 342.531 2.017 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)C2 ZINC000694751948 1304134418 /nfs/dbraw/zinc/13/44/18/1304134418.db2.gz KWYXDRMAYVJMOP-VTHDOGFWSA-N 2 2 342.531 2.017 10 0 EEAELP CC(C)OCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278555503 1317221362 /nfs/dbraw/zinc/22/13/62/1317221362.db2.gz AWMZUKMPWVQDCP-SJLPKXTDSA-N 2 2 336.480 2.087 10 0 EEAELP COCCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001263836968 1322533089 /nfs/dbraw/zinc/53/30/89/1322533089.db2.gz QNOYZVKTZYRLCI-OTVXOJSOSA-N 2 2 330.432 2.088 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001264518240 1322722809 /nfs/dbraw/zinc/72/28/09/1322722809.db2.gz PPESFEZUGYBGLY-MAUKXSAKSA-N 2 2 341.459 2.154 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001265063967 1322901787 /nfs/dbraw/zinc/90/17/87/1322901787.db2.gz SHCZHYKDBNQRGI-ZACQAIPSSA-N 2 2 332.492 2.227 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001265063967 1322901790 /nfs/dbraw/zinc/90/17/90/1322901790.db2.gz SHCZHYKDBNQRGI-ZACQAIPSSA-N 2 2 332.492 2.227 10 0 EEAELP CC(C)OCCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265226703 1322996066 /nfs/dbraw/zinc/99/60/66/1322996066.db2.gz IQUVWXFTKWZCMJ-IRXDYDNUSA-N 2 2 336.480 2.230 10 0 EEAELP CC(C)OCCC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001265226703 1322996070 /nfs/dbraw/zinc/99/60/70/1322996070.db2.gz IQUVWXFTKWZCMJ-IRXDYDNUSA-N 2 2 336.480 2.230 10 0 EEAELP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001265873667 1323445486 /nfs/dbraw/zinc/44/54/86/1323445486.db2.gz YVDFOJJKOMDOJI-HNNXBMFYSA-N 2 2 339.443 2.439 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001265983358 1323543106 /nfs/dbraw/zinc/54/31/06/1323543106.db2.gz RGWHOXFWLHGNPX-WEBJUUICSA-N 2 2 338.455 2.494 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001265983358 1323543109 /nfs/dbraw/zinc/54/31/09/1323543109.db2.gz RGWHOXFWLHGNPX-WEBJUUICSA-N 2 2 338.455 2.494 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001279586929 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CN(CCC[NH2+]CCC[C@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001322613579 1333293858 /nfs/dbraw/zinc/29/38/58/1333293858.db2.gz NCKJLIPIVNVCGT-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP COCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@H](C)C1 ZINC001324069170 1333601001 /nfs/dbraw/zinc/60/10/01/1333601001.db2.gz YOFMYMBIVFKINV-NVXWUHKLSA-N 2 2 349.475 2.028 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001324285819 1333650107 /nfs/dbraw/zinc/65/01/07/1333650107.db2.gz LVQYQKGNGYGSAA-IBGZPJMESA-N 2 2 340.471 2.269 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001324669127 1333735425 /nfs/dbraw/zinc/73/54/25/1333735425.db2.gz LICOSUVCFAUODF-KRWDZBQOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001324669127 1333735430 /nfs/dbraw/zinc/73/54/30/1333735430.db2.gz LICOSUVCFAUODF-KRWDZBQOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001324669127 1333735433 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339.443 2.127 10 0 EEAELP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001330311460 1334821586 /nfs/dbraw/zinc/82/15/86/1334821586.db2.gz ZRSVTJCNXPYZDA-DSLXNQLJSA-N 2 2 344.503 2.320 10 0 EEAELP CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001330311460 1334821587 /nfs/dbraw/zinc/82/15/87/1334821587.db2.gz ZRSVTJCNXPYZDA-DSLXNQLJSA-N 2 2 344.503 2.320 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CC=C(Cl)Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001332873630 1335922567 /nfs/dbraw/zinc/92/25/67/1335922567.db2.gz HODNAIJLULSHKL-SNVBAGLBSA-N 2 2 333.263 2.392 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC2)cs1 ZINC001333458488 1336050974 /nfs/dbraw/zinc/05/09/74/1336050974.db2.gz QQZCYEGBECNIGC-UHFFFAOYSA-N 2 2 336.505 2.040 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[N@H+](C)C(C)C)CC2)cs1 ZINC001333458488 1336050977 /nfs/dbraw/zinc/05/09/77/1336050977.db2.gz QQZCYEGBECNIGC-UHFFFAOYSA-N 2 2 336.505 2.040 10 0 EEAELP 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2.259 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1=CC[N@@H+](CC=C(Cl)Cl)CC1 ZINC001571691388 1343274180 /nfs/dbraw/zinc/27/41/80/1343274180.db2.gz KDEOIBKNXNPXGU-UHFFFAOYSA-N 2 2 343.258 2.259 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001571700120 1343279762 /nfs/dbraw/zinc/27/97/62/1343279762.db2.gz QOBHRUFHGLRQNN-UHFFFAOYSA-N 2 2 342.418 2.279 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001571700120 1343279764 /nfs/dbraw/zinc/27/97/64/1343279764.db2.gz QOBHRUFHGLRQNN-UHFFFAOYSA-N 2 2 342.418 2.279 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCC1CCC1 ZINC001676377452 1357142784 /nfs/dbraw/zinc/14/27/84/1357142784.db2.gz ZDEDCYSJSCMOPS-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[C@H]1CN(c2nnc(C[NH+]3CCCC3)n2CC2CC2)CC[N@@H+]1C ZINC001646924168 1353049906 /nfs/dbraw/zinc/04/99/06/1353049906.db2.gz RUNOJKMOTLLUOR-QGZVFWFLSA-N 2 2 346.523 2.060 10 0 EEAELP CC(C)[C@H]1CN(c2nnc(C[NH+]3CCCC3)n2CC2CC2)CC[N@H+]1C ZINC001646924168 1353049909 /nfs/dbraw/zinc/04/99/09/1353049909.db2.gz RUNOJKMOTLLUOR-QGZVFWFLSA-N 2 2 346.523 2.060 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001649465441 1353520346 /nfs/dbraw/zinc/52/03/46/1353520346.db2.gz MBELUJBULMOPJN-INIZCTEOSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC001649917129 1353648786 /nfs/dbraw/zinc/64/87/86/1353648786.db2.gz OSDDFWIRQXVDIB-HKUYNNGSSA-N 2 2 338.455 2.287 10 0 EEAELP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@H]2Cc3c[nH+]cn3C2)c1 ZINC001649917129 1353648787 /nfs/dbraw/zinc/64/87/87/1353648787.db2.gz OSDDFWIRQXVDIB-HKUYNNGSSA-N 2 2 338.455 2.287 10 0 EEAELP C[NH+](C)CC[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccnc1 ZINC001650015420 1353688908 /nfs/dbraw/zinc/68/89/08/1353688908.db2.gz QTEFUYHTSDKJPF-MRXNPFEDSA-N 2 2 326.435 2.394 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc([Si](C)(C)C)cc2)CC1 ZINC001653846814 1354133697 /nfs/dbraw/zinc/13/36/97/1354133697.db2.gz OGGQLYXUTJAZMJ-UHFFFAOYSA-N 2 2 328.536 2.288 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001656077566 1354196573 /nfs/dbraw/zinc/19/65/73/1354196573.db2.gz JQTVWVIXQFWWCN-HRMTXBTBSA-N 2 2 330.476 2.335 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001656077566 1354196576 /nfs/dbraw/zinc/19/65/76/1354196576.db2.gz JQTVWVIXQFWWCN-HRMTXBTBSA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001661487281 1354644576 /nfs/dbraw/zinc/64/45/76/1354644576.db2.gz VOXHVGKDTFNNFK-WKILWMFISA-N 2 2 326.444 2.388 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccon1 ZINC001663552979 1354985847 /nfs/dbraw/zinc/98/58/47/1354985847.db2.gz OXDCNSLNHKQUSK-QGZVFWFLSA-N 2 2 334.464 2.021 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1Cc1ccon1 ZINC001663552979 1354985850 /nfs/dbraw/zinc/98/58/50/1354985850.db2.gz OXDCNSLNHKQUSK-QGZVFWFLSA-N 2 2 334.464 2.021 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001663603097 1354997474 /nfs/dbraw/zinc/99/74/74/1354997474.db2.gz HXIOPLSAUWEZOH-MRXNPFEDSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001663603097 1354997476 /nfs/dbraw/zinc/99/74/76/1354997476.db2.gz HXIOPLSAUWEZOH-MRXNPFEDSA-N 2 2 344.459 2.201 10 0 EEAELP CC[C@H](F)C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001664516371 1355184084 /nfs/dbraw/zinc/18/40/84/1355184084.db2.gz ADWHYLGTLSERKR-CVEARBPZSA-N 2 2 338.471 2.410 10 0 EEAELP CC[C@H](F)C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001664516371 1355184087 /nfs/dbraw/zinc/18/40/87/1355184087.db2.gz ADWHYLGTLSERKR-CVEARBPZSA-N 2 2 338.471 2.410 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001666655965 1355560601 /nfs/dbraw/zinc/56/06/01/1355560601.db2.gz GABYMYMQLUTBAY-JQWIXIFHSA-N 2 2 347.290 2.186 10 0 EEAELP CCCCOCC[NH+]1CC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001666825719 1355597769 /nfs/dbraw/zinc/59/77/69/1355597769.db2.gz PWGZDCBKWXRUDM-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001667762458 1355809207 /nfs/dbraw/zinc/80/92/07/1355809207.db2.gz AZNBWUGPPXBYGY-WCQYABFASA-N 2 2 345.274 2.156 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c(C)o1 ZINC001668229427 1355904763 /nfs/dbraw/zinc/90/47/63/1355904763.db2.gz NCKRDWXAUKVCKI-OLZOCXBDSA-N 2 2 333.436 2.124 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCOC1CCCCCC1 ZINC001673904694 1356757871 /nfs/dbraw/zinc/75/78/71/1356757871.db2.gz MYUGFNDCSBSVCL-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001675370050 1356971762 /nfs/dbraw/zinc/97/17/62/1356971762.db2.gz WZQAVTGLMZZUOR-ZDUSSCGKSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001675370050 1356971765 /nfs/dbraw/zinc/97/17/65/1356971765.db2.gz WZQAVTGLMZZUOR-ZDUSSCGKSA-N 2 2 338.883 2.012 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001691935069 1404966485 /nfs/dbraw/zinc/96/64/85/1404966485.db2.gz BEMONGFWIRMDAJ-GXTWGEPZSA-N 2 2 346.397 2.369 10 0 EEAELP C[C@@H](C[NH2+]Cc1nc2ccccc2o1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001698838358 1405101121 /nfs/dbraw/zinc/10/11/21/1405101121.db2.gz WWEHMIZIEMNUHW-AWEZNQCLSA-N 2 2 341.415 2.051 10 0 EEAELP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001698840627 1405101631 /nfs/dbraw/zinc/10/16/31/1405101631.db2.gz ANEWLSRNMXNHRK-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001698840627 1405101640 /nfs/dbraw/zinc/10/16/40/1405101640.db2.gz ANEWLSRNMXNHRK-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001698972201 1405194050 /nfs/dbraw/zinc/19/40/50/1405194050.db2.gz PXIUNKWFAMQLSH-OLZOCXBDSA-N 2 2 345.274 2.419 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC001699590115 1405409784 /nfs/dbraw/zinc/40/97/84/1405409784.db2.gz ZOMYOMPNKMEZMI-DGCLKSJQSA-N 2 2 345.274 2.021 10 0 EEAELP COCCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001699878216 1405546124 /nfs/dbraw/zinc/54/61/24/1405546124.db2.gz PHNNZESZBHXVEE-SJLPKXTDSA-N 2 2 336.480 2.089 10 0 EEAELP COCCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001699878216 1405546128 /nfs/dbraw/zinc/54/61/28/1405546128.db2.gz PHNNZESZBHXVEE-SJLPKXTDSA-N 2 2 336.480 2.089 10 0 EEAELP C[N@@H+]1CCO[C@H]([C@@H](NCc2cc(N)cc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000925771568 774284696 /nfs/dbraw/zinc/28/46/96/774284696.db2.gz MZDXWKYRUPKRQV-ROUUACIJSA-N 2 2 346.862 2.479 10 0 EEAELP C[N@H+]1CCO[C@H]([C@@H](NCc2cc(N)cc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000925771568 774284697 /nfs/dbraw/zinc/28/46/97/774284697.db2.gz MZDXWKYRUPKRQV-ROUUACIJSA-N 2 2 346.862 2.479 10 0 EEAELP Cn1c(Cl)ncc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000846775746 790538479 /nfs/dbraw/zinc/53/84/79/790538479.db2.gz UZRJHVSKOUZCHD-CYBMUJFWSA-N 2 2 334.855 2.221 10 0 EEAELP Cc1cc(=O)oc2cc(OCC[NH+]3CCC4(CC[NH2+]4)CC3)ccc12 ZINC000817880366 785041153 /nfs/dbraw/zinc/04/11/53/785041153.db2.gz QISBDXUVAZUSMJ-UHFFFAOYSA-N 2 2 328.412 2.308 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908288695 785301553 /nfs/dbraw/zinc/30/15/53/785301553.db2.gz WHKGDSLKJVWCCZ-MRXNPFEDSA-N 2 2 343.475 2.454 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908288695 785301563 /nfs/dbraw/zinc/30/15/63/785301563.db2.gz WHKGDSLKJVWCCZ-MRXNPFEDSA-N 2 2 343.475 2.454 10 0 EEAELP C[C@H](CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[NH+](C)C ZINC000912386646 788137994 /nfs/dbraw/zinc/13/79/94/788137994.db2.gz GNZGLINJTJMKBL-OAHLLOKOSA-N 2 2 329.448 2.065 10 0 EEAELP CC(C)[C@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC[NH2+]1 ZINC000912767260 788353229 /nfs/dbraw/zinc/35/32/29/788353229.db2.gz KPDBJJUXGGHMBN-GOSISDBHSA-N 2 2 341.459 2.065 10 0 EEAELP O=C1O[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CN1C1CC1 ZINC000844316309 789021967 /nfs/dbraw/zinc/02/19/67/789021967.db2.gz CGJNFPHCRAVJQN-QGZVFWFLSA-N 2 2 332.448 2.359 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000174378177 792083908 /nfs/dbraw/zinc/08/39/08/792083908.db2.gz IQZDLEAXQJPZEN-YJBOKZPZSA-N 2 2 341.459 2.496 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000174378177 792083920 /nfs/dbraw/zinc/08/39/20/792083920.db2.gz IQZDLEAXQJPZEN-YJBOKZPZSA-N 2 2 341.459 2.496 10 0 EEAELP C[N@H+](CC(=O)NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1CCSC1 ZINC000913711196 794164072 /nfs/dbraw/zinc/16/40/72/794164072.db2.gz KWNBOXGJBMIKLN-MRXNPFEDSA-N 2 2 344.484 2.104 10 0 EEAELP C[N@@H+](CC(=O)NCCn1c[nH+]cc1-c1ccccc1)[C@@H]1CCSC1 ZINC000913711196 794164076 /nfs/dbraw/zinc/16/40/76/794164076.db2.gz KWNBOXGJBMIKLN-MRXNPFEDSA-N 2 2 344.484 2.104 10 0 EEAELP CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716639140 796398212 /nfs/dbraw/zinc/39/82/12/796398212.db2.gz SBXQRRZWEFVWEG-KSZLIROESA-N 2 2 336.501 2.064 10 0 EEAELP CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716639140 796398217 /nfs/dbraw/zinc/39/82/17/796398217.db2.gz SBXQRRZWEFVWEG-KSZLIROESA-N 2 2 336.501 2.064 10 0 EEAELP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716702416 796443748 /nfs/dbraw/zinc/44/37/48/796443748.db2.gz SKRQUDPTRUKMLB-VMXHOPILSA-N 2 2 348.512 2.205 10 0 EEAELP CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716702416 796443751 /nfs/dbraw/zinc/44/37/51/796443751.db2.gz SKRQUDPTRUKMLB-VMXHOPILSA-N 2 2 348.512 2.205 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CCC([NH2+]C4CCOCC4)CC3)ccn12 ZINC000922887294 802458010 /nfs/dbraw/zinc/45/80/10/802458010.db2.gz BPUJFGQYWKCOJV-UHFFFAOYSA-N 2 2 342.443 2.016 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc2ncccc2c1 ZINC001566503263 1125670893 /nfs/dbraw/zinc/67/08/93/1125670893.db2.gz QTGUDVQMXRGAKT-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc2ncccc2c1 ZINC001566503263 1125670895 /nfs/dbraw/zinc/67/08/95/1125670895.db2.gz QTGUDVQMXRGAKT-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(Cl)n1 ZINC001566566437 1125742595 /nfs/dbraw/zinc/74/25/95/1125742595.db2.gz BEDSKAVVYRRWGN-UHFFFAOYSA-N 2 2 335.839 2.029 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(Cl)n1 ZINC001566566437 1125742598 /nfs/dbraw/zinc/74/25/98/1125742598.db2.gz BEDSKAVVYRRWGN-UHFFFAOYSA-N 2 2 335.839 2.029 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1C[N@H+](C)C/C=C/Cl ZINC001436493693 1087995205 /nfs/dbraw/zinc/99/52/05/1087995205.db2.gz BFNUNCGIWKJCSW-RDTXFTJFSA-N 2 2 338.883 2.418 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1C[N@@H+](C)C/C=C/Cl ZINC001436493693 1087995215 /nfs/dbraw/zinc/99/52/15/1087995215.db2.gz BFNUNCGIWKJCSW-RDTXFTJFSA-N 2 2 338.883 2.418 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@H]1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC001437318045 1089478237 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XXLGGWFOHLLRCG-OCCSQVGLSA-N 2 2 335.477 2.284 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001437713893 1090260307 /nfs/dbraw/zinc/26/03/07/1090260307.db2.gz KVJKJDQJIWNGKX-MRXNPFEDSA-N 2 2 331.460 2.261 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001437713893 1090260310 /nfs/dbraw/zinc/26/03/10/1090260310.db2.gz KVJKJDQJIWNGKX-MRXNPFEDSA-N 2 2 331.460 2.261 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1)[NH+](CC)CC ZINC001438239460 1090719219 /nfs/dbraw/zinc/71/92/19/1090719219.db2.gz PKDPIBUDIFBXKT-ZWKOTPCHSA-N 2 2 349.523 2.056 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1)[NH+](CC)CC ZINC001438239460 1090719224 /nfs/dbraw/zinc/71/92/24/1090719224.db2.gz PKDPIBUDIFBXKT-ZWKOTPCHSA-N 2 2 349.523 2.056 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2nccs2)C1)[NH+](CC)CC ZINC001438241574 1090721993 /nfs/dbraw/zinc/72/19/93/1090721993.db2.gz WGTXLOYDOUWBSU-GJZGRUSLSA-N 2 2 338.521 2.296 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2nccs2)C1)[NH+](CC)CC ZINC001438241574 1090722000 /nfs/dbraw/zinc/72/20/00/1090722000.db2.gz WGTXLOYDOUWBSU-GJZGRUSLSA-N 2 2 338.521 2.296 10 0 EEAELP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001438394828 1090881570 /nfs/dbraw/zinc/88/15/70/1090881570.db2.gz VLOBVNHMRWALLW-HUUCEWRRSA-N 2 2 336.455 2.212 10 0 EEAELP C[C@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)CCn1cc[nH+]c1 ZINC001439137435 1091780697 /nfs/dbraw/zinc/78/06/97/1091780697.db2.gz IYGJMFGBMWNASK-KGLIPLIRSA-N 2 2 328.407 2.193 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001448606799 1093673714 /nfs/dbraw/zinc/67/37/14/1093673714.db2.gz QVVMKHOKXGHLNG-KBXCAEBGSA-N 2 2 341.459 2.010 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001448606799 1093673717 /nfs/dbraw/zinc/67/37/17/1093673717.db2.gz QVVMKHOKXGHLNG-KBXCAEBGSA-N 2 2 341.459 2.010 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CC1CCCCC1 ZINC001440944742 1094197996 /nfs/dbraw/zinc/19/79/96/1094197996.db2.gz PSVWVDOKVAQPKY-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CC1CCCCC1 ZINC001440944742 1094198000 /nfs/dbraw/zinc/19/80/00/1094198000.db2.gz PSVWVDOKVAQPKY-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)N(CC[N@H+](C)CCCC1CCC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001449254278 1094202019 /nfs/dbraw/zinc/20/20/19/1094202019.db2.gz BOEFIYZJFDGPPK-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCCC1CCC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001449254278 1094202024 /nfs/dbraw/zinc/20/20/24/1094202024.db2.gz BOEFIYZJFDGPPK-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)N(CC[NH+](C)CCCC1CCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001449254278 1094202027 /nfs/dbraw/zinc/20/20/27/1094202027.db2.gz BOEFIYZJFDGPPK-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)N(CC[NH+](C)CCCC1CCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001449254278 1094202033 /nfs/dbraw/zinc/20/20/33/1094202033.db2.gz BOEFIYZJFDGPPK-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@H]([NH2+]CCc1ccns1)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001440999229 1094271124 /nfs/dbraw/zinc/27/11/24/1094271124.db2.gz VRMSTSOIWGMPLE-DZGCQCFKSA-N 2 2 347.488 2.011 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1 ZINC001441105744 1094414401 /nfs/dbraw/zinc/41/44/01/1094414401.db2.gz HWRQMYFRJWLTTM-INIZCTEOSA-N 2 2 348.491 2.096 10 0 EEAELP Cc1cc(C[NH2+][C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C2CC2)sn1 ZINC001441257168 1094655369 /nfs/dbraw/zinc/65/53/69/1094655369.db2.gz JVDKUPYDXOHLJO-MEDUHNTESA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cc(C[NH2+][C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C2CC2)sn1 ZINC001441257168 1094655374 /nfs/dbraw/zinc/65/53/74/1094655374.db2.gz JVDKUPYDXOHLJO-MEDUHNTESA-N 2 2 347.488 2.038 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cc2)C1 ZINC001441374807 1094906987 /nfs/dbraw/zinc/90/69/87/1094906987.db2.gz GTNJPLRYVJZYQE-JCNLHEQBSA-N 2 2 344.434 2.176 10 0 EEAELP 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ZINC001443148330 1097580243 /nfs/dbraw/zinc/58/02/43/1097580243.db2.gz ZUMKOFFJPSBBHQ-GOSISDBHSA-N 2 2 344.459 2.270 10 0 EEAELP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001443185833 1097627867 /nfs/dbraw/zinc/62/78/67/1097627867.db2.gz UYIJYKWTKRNUES-ROUUACIJSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001443185833 1097627870 /nfs/dbraw/zinc/62/78/70/1097627870.db2.gz UYIJYKWTKRNUES-ROUUACIJSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001443185833 1097627872 /nfs/dbraw/zinc/62/78/72/1097627872.db2.gz UYIJYKWTKRNUES-ROUUACIJSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001443185833 1097627875 /nfs/dbraw/zinc/62/78/75/1097627875.db2.gz UYIJYKWTKRNUES-ROUUACIJSA-N 2 2 348.491 2.362 10 0 EEAELP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001451465249 1097650126 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UKPVWEAOEGAVNW-FHLIZLRMSA-N 2 2 348.491 2.127 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C)C1CCCC1 ZINC001479709410 1098788309 /nfs/dbraw/zinc/78/83/09/1098788309.db2.gz UKPVWEAOEGAVNW-FHLIZLRMSA-N 2 2 348.491 2.127 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C)C1CCCC1 ZINC001479709410 1098788319 /nfs/dbraw/zinc/78/83/19/1098788319.db2.gz UKPVWEAOEGAVNW-FHLIZLRMSA-N 2 2 348.491 2.127 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C)C1CCCC1 ZINC001479709410 1098788328 /nfs/dbraw/zinc/78/83/28/1098788328.db2.gz UKPVWEAOEGAVNW-FHLIZLRMSA-N 2 2 348.491 2.127 10 0 EEAELP CC(C)CCC[N@@H+]1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001444448446 1099089971 /nfs/dbraw/zinc/08/99/71/1099089971.db2.gz OFRUDMBVCNIWQL-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)CCC[N@H+]1CCO[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001444448446 1099089983 /nfs/dbraw/zinc/08/99/83/1099089983.db2.gz OFRUDMBVCNIWQL-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP COCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001479822374 1099099352 /nfs/dbraw/zinc/09/93/52/1099099352.db2.gz IBFXZLZHXFFOMK-RDJZCZTQSA-N 2 2 349.475 2.028 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479956329 1099394282 /nfs/dbraw/zinc/39/42/82/1099394282.db2.gz FCVXYYNCXIJEFL-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP CCCCOCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479956329 1099394295 /nfs/dbraw/zinc/39/42/95/1099394295.db2.gz FCVXYYNCXIJEFL-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]Cc2ccccn2)C2CC2)c[nH+]1 ZINC001480028204 1099514292 /nfs/dbraw/zinc/51/42/92/1099514292.db2.gz KTFUTZOJAJUVPX-KRWDZBQOSA-N 2 2 341.459 2.006 10 0 EEAELP CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001480208785 1099816786 /nfs/dbraw/zinc/81/67/86/1099816786.db2.gz YDLUEAJXFUZLFP-HDICACEKSA-N 2 2 326.444 2.342 10 0 EEAELP CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001480208785 1099816801 /nfs/dbraw/zinc/81/68/01/1099816801.db2.gz YDLUEAJXFUZLFP-HDICACEKSA-N 2 2 326.444 2.342 10 0 EEAELP CCc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001480272523 1099979245 /nfs/dbraw/zinc/97/92/45/1099979245.db2.gz UXAGZMRQQIRXHS-QGZVFWFLSA-N 2 2 340.471 2.474 10 0 EEAELP CCc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001480272523 1099979259 /nfs/dbraw/zinc/97/92/59/1099979259.db2.gz UXAGZMRQQIRXHS-QGZVFWFLSA-N 2 2 340.471 2.474 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)c(C)o1 ZINC001480323732 1100070005 /nfs/dbraw/zinc/07/00/05/1100070005.db2.gz LAJHSFYOKVPPTN-INIZCTEOSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)c(C)o1 ZINC001480323732 1100070015 /nfs/dbraw/zinc/07/00/15/1100070015.db2.gz LAJHSFYOKVPPTN-INIZCTEOSA-N 2 2 348.491 2.104 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480383639 1100178775 /nfs/dbraw/zinc/17/87/75/1100178775.db2.gz RWCYWSKTAILOGW-CABCVRRESA-N 2 2 344.459 2.430 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480383639 1100178778 /nfs/dbraw/zinc/17/87/78/1100178778.db2.gz RWCYWSKTAILOGW-CABCVRRESA-N 2 2 344.459 2.430 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[NH2+]Cc1nc(C)c(C)o1 ZINC001445360103 1100596457 /nfs/dbraw/zinc/59/64/57/1100596457.db2.gz DLPJGWIAXCFLBJ-OLZOCXBDSA-N 2 2 347.463 2.296 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001495107705 1100759324 /nfs/dbraw/zinc/75/93/24/1100759324.db2.gz JROJOYBXVGVHCJ-AWEZNQCLSA-N 2 2 347.463 2.162 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001496278303 1100859206 /nfs/dbraw/zinc/85/92/06/1100859206.db2.gz HTWAXRDBRNWUGA-VNGFFZMTSA-N 2 2 338.883 2.319 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@]2(NC(=O)C[NH+]3CCCC3)CCCC[C@H]2C)o1 ZINC001495334995 1101043823 /nfs/dbraw/zinc/04/38/23/1101043823.db2.gz XJHLCATXBSOMEU-BEFAXECRSA-N 2 2 348.491 2.234 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](Cc3ccon3)C2)CC[N@@H+]1C ZINC001446669501 1101202058 /nfs/dbraw/zinc/20/20/58/1101202058.db2.gz BHZSMYKOMOBXEQ-TXPKVOOTSA-N 2 2 348.491 2.123 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](Cc3ccon3)C2)CC[N@H+]1C ZINC001446669501 1101202064 /nfs/dbraw/zinc/20/20/64/1101202064.db2.gz BHZSMYKOMOBXEQ-TXPKVOOTSA-N 2 2 348.491 2.123 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@@]2(C)CCC[N@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001446669501 1101202068 /nfs/dbraw/zinc/20/20/68/1101202068.db2.gz BHZSMYKOMOBXEQ-TXPKVOOTSA-N 2 2 348.491 2.123 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@@]2(C)CCC[N@@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001446669501 1101202074 /nfs/dbraw/zinc/20/20/74/1101202074.db2.gz BHZSMYKOMOBXEQ-TXPKVOOTSA-N 2 2 348.491 2.123 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001495668661 1101408701 /nfs/dbraw/zinc/40/87/01/1101408701.db2.gz OMZYEOUSPWQFEJ-PBHICJAKSA-N 2 2 333.480 2.098 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001495668661 1101408709 /nfs/dbraw/zinc/40/87/09/1101408709.db2.gz OMZYEOUSPWQFEJ-PBHICJAKSA-N 2 2 333.480 2.098 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)o1 ZINC001496796296 1101486143 /nfs/dbraw/zinc/48/61/43/1101486143.db2.gz DNKFQRFFXDKDCM-DLBZAZTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCN(C)C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)o1 ZINC001496796296 1101486147 /nfs/dbraw/zinc/48/61/47/1101486147.db2.gz DNKFQRFFXDKDCM-DLBZAZTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001496796296 1101486153 /nfs/dbraw/zinc/48/61/53/1101486153.db2.gz DNKFQRFFXDKDCM-DLBZAZTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)o1 ZINC001496796296 1101486157 /nfs/dbraw/zinc/48/61/57/1101486157.db2.gz DNKFQRFFXDKDCM-DLBZAZTESA-N 2 2 348.491 2.199 10 0 EEAELP 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/nfs/dbraw/zinc/11/38/10/1102113810.db2.gz GILAHYDXPHMJSL-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1COCC[N@H+]1CCCC1CCCC1 ZINC001447161405 1102113815 /nfs/dbraw/zinc/11/38/15/1102113815.db2.gz GILAHYDXPHMJSL-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497267355 1102223388 /nfs/dbraw/zinc/22/33/88/1102223388.db2.gz HAPRYJLZVWSPJB-UFSBQXNSSA-N 2 2 345.274 2.327 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@@H]1CCc2ccccc21 ZINC001497316204 1102305468 /nfs/dbraw/zinc/30/54/68/1102305468.db2.gz DSVVVNJEMZSZKV-CXAGYDPISA-N 2 2 326.444 2.433 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)c2ccn3c(C)c[nH+]c3c2)on1 ZINC001497577257 1102690100 /nfs/dbraw/zinc/69/01/00/1102690100.db2.gz BEAUVFSHLNGPMQ-ONEGZZNKSA-N 2 2 339.399 2.015 10 0 EEAELP Cc1ncc(C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)s1 ZINC001497611649 1102749774 /nfs/dbraw/zinc/74/97/74/1102749774.db2.gz PLBAAKXRUNZUSM-IHWYPQMZSA-N 2 2 341.440 2.404 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ZINC001479293939 1110677297 /nfs/dbraw/zinc/67/72/97/1110677297.db2.gz ALUZMKSXNGXRGO-WOVMCDHWSA-N 2 2 344.459 2.167 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500235145 1112694423 /nfs/dbraw/zinc/69/44/23/1112694423.db2.gz POPHZQDESRVPKE-IPLHWJFFSA-N 2 2 334.464 2.287 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500235145 1112694428 /nfs/dbraw/zinc/69/44/28/1112694428.db2.gz POPHZQDESRVPKE-IPLHWJFFSA-N 2 2 334.464 2.287 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001500519374 1112911768 /nfs/dbraw/zinc/91/17/68/1112911768.db2.gz NLRQNMHDWLQVKG-IBGZPJMESA-N 2 2 348.491 2.222 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001500519374 1112911773 /nfs/dbraw/zinc/91/17/73/1112911773.db2.gz NLRQNMHDWLQVKG-IBGZPJMESA-N 2 2 348.491 2.222 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001501143031 1113213455 /nfs/dbraw/zinc/21/34/55/1113213455.db2.gz 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C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1cncs1 ZINC001506014432 1114345065 /nfs/dbraw/zinc/34/50/65/1114345065.db2.gz AOIWYWPKDRGDNM-CABCVRRESA-N 2 2 338.521 2.344 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1cncs1 ZINC001506014432 1114345069 /nfs/dbraw/zinc/34/50/69/1114345069.db2.gz AOIWYWPKDRGDNM-CABCVRRESA-N 2 2 338.521 2.344 10 0 EEAELP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)sn1 ZINC001506753569 1114867528 /nfs/dbraw/zinc/86/75/28/1114867528.db2.gz QNSMGKJVYMPARU-OAHLLOKOSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1cc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C2)sn1 ZINC001506753569 1114867533 /nfs/dbraw/zinc/86/75/33/1114867533.db2.gz QNSMGKJVYMPARU-OAHLLOKOSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1cc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)sn1 ZINC001506753569 1114867537 /nfs/dbraw/zinc/86/75/37/1114867537.db2.gz QNSMGKJVYMPARU-OAHLLOKOSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)sn1 ZINC001506753569 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ZINC000040757063 213383920 /nfs/dbraw/zinc/38/39/20/213383920.db2.gz DCEBMEMFYHWSEI-UHFFFAOYSA-N 2 2 328.420 2.042 10 0 EEAELP CC(C)CNC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725271310 539991979 /nfs/dbraw/zinc/99/19/79/539991979.db2.gz BYCOEEAWIGIXTL-YPMHNXCESA-N 2 2 325.482 2.090 10 0 EEAELP CC(C)CNC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725271310 539991982 /nfs/dbraw/zinc/99/19/82/539991982.db2.gz BYCOEEAWIGIXTL-YPMHNXCESA-N 2 2 325.482 2.090 10 0 EEAELP O=C(C[N@@H+]1CCc2sccc2C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069655386 215518546 /nfs/dbraw/zinc/51/85/46/215518546.db2.gz ALXJBEZIHPAUJT-HNNXBMFYSA-N 2 2 330.457 2.166 10 0 EEAELP O=C(C[N@H+]1CCc2sccc2C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069655386 215518550 /nfs/dbraw/zinc/51/85/50/215518550.db2.gz ALXJBEZIHPAUJT-HNNXBMFYSA-N 2 2 330.457 2.166 10 0 EEAELP CCOC(=O)Cc1[nH+]c2ccc(N)cn2c1C[NH+]1CCC(C)CC1 ZINC000036275177 213080584 /nfs/dbraw/zinc/08/05/84/213080584.db2.gz KXUXFNKBCRECIM-UHFFFAOYSA-N 2 2 330.432 2.254 10 0 EEAELP C[C@@H]1CCc2c(sc3nc(C[NH+](C)C)n(CC[NH+](C)C)c(=O)c23)C1 ZINC000036069849 213059360 /nfs/dbraw/zinc/05/93/60/213059360.db2.gz PQBUAJFYZPTIQZ-GFCCVEGCSA-N 2 2 348.516 2.206 10 0 EEAELP FC(F)Oc1ccccc1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423069542 240351220 /nfs/dbraw/zinc/35/12/20/240351220.db2.gz LXZAAPZIOSAVGB-HOTGVXAUSA-N 2 2 326.387 2.187 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000422838491 240255258 /nfs/dbraw/zinc/25/52/58/240255258.db2.gz OOFXZIIXGORMDB-OTNPHJDUSA-N 3 2 343.515 2.396 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000422838491 240255263 /nfs/dbraw/zinc/25/52/63/240255263.db2.gz OOFXZIIXGORMDB-OTNPHJDUSA-N 3 2 343.515 2.396 10 0 EEAELP Brc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cs1 ZINC000422866303 240265620 /nfs/dbraw/zinc/26/56/20/240265620.db2.gz QCSXDIDCINRVEI-YPMHNXCESA-N 2 2 331.279 2.367 10 0 EEAELP Fc1ccccc1N1CCC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423012576 240330239 /nfs/dbraw/zinc/33/02/39/240330239.db2.gz LAGBLHPZULCGRC-KFKAGJAMSA-N 2 2 333.451 2.151 10 0 EEAELP Fc1cc(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1Cl ZINC000423152507 240386121 /nfs/dbraw/zinc/38/61/21/240386121.db2.gz LQDJBPPOURTPAK-JKSUJKDBSA-N 2 2 328.815 2.215 10 0 EEAELP Cc1cc(N2CCN(C(=O)C[NH+]3CCCCC3)CC2)nc(C(C)C)[nH+]1 ZINC000076407416 292184922 /nfs/dbraw/zinc/18/49/22/292184922.db2.gz MGYNSWHFJZSLDB-UHFFFAOYSA-N 2 2 345.491 2.043 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)ccc1OC(F)F ZINC000449393227 286221589 /nfs/dbraw/zinc/22/15/89/286221589.db2.gz LSVZQSTZNLOXRL-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)ccc1OC(F)F ZINC000449393227 286221591 /nfs/dbraw/zinc/22/15/91/286221591.db2.gz LSVZQSTZNLOXRL-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP C[NH+]1CCC(CNC(=O)Cc2ccccc2F)([NH+]2CCCCC2)CC1 ZINC000172753436 152116207 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ORPLWKUCRVGOKX-LPHOPBHVSA-N 2 2 345.462 2.391 10 0 EEAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccc(F)cc1 ZINC000246841022 160296545 /nfs/dbraw/zinc/29/65/45/160296545.db2.gz ORPLWKUCRVGOKX-LPHOPBHVSA-N 2 2 345.462 2.391 10 0 EEAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccc(F)cc1 ZINC000246841022 160296547 /nfs/dbraw/zinc/29/65/47/160296547.db2.gz ORPLWKUCRVGOKX-LPHOPBHVSA-N 2 2 345.462 2.391 10 0 EEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000247186153 160313589 /nfs/dbraw/zinc/31/35/89/160313589.db2.gz LDSYJYQFUCRLDD-RDJZCZTQSA-N 2 2 339.443 2.250 10 0 EEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000247186153 160313591 /nfs/dbraw/zinc/31/35/91/160313591.db2.gz LDSYJYQFUCRLDD-RDJZCZTQSA-N 2 2 339.443 2.250 10 0 EEAELP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000344794114 161246342 /nfs/dbraw/zinc/24/63/42/161246342.db2.gz XMDLADAZFLVSFJ-CLCXKQKWSA-N 2 2 333.476 2.070 10 0 EEAELP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)C2)c1 ZINC000344794114 161246343 /nfs/dbraw/zinc/24/63/43/161246343.db2.gz XMDLADAZFLVSFJ-CLCXKQKWSA-N 2 2 333.476 2.070 10 0 EEAELP C[N@H+](CCNC(=O)C1CC[NH+](CC(F)F)CC1)C1CCCCC1 ZINC000351636291 161858716 /nfs/dbraw/zinc/85/87/16/161858716.db2.gz NVWROMRICBWCPP-UHFFFAOYSA-N 2 2 331.451 2.344 10 0 EEAELP C[N@@H+](CCNC(=O)C1CC[NH+](CC(F)F)CC1)C1CCCCC1 ZINC000351636291 161858720 /nfs/dbraw/zinc/85/87/20/161858720.db2.gz NVWROMRICBWCPP-UHFFFAOYSA-N 2 2 331.451 2.344 10 0 EEAELP CCN(CCC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)CC(F)(F)F ZINC000354933785 163023026 /nfs/dbraw/zinc/02/30/26/163023026.db2.gz XZCOWUGVJZPEJV-UHFFFAOYSA-N 2 2 345.413 2.181 10 0 EEAELP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360328314 164284904 /nfs/dbraw/zinc/28/49/04/164284904.db2.gz FLVCWCBDMWPKEK-FUHWJXTLSA-N 2 2 338.517 2.311 10 0 EEAELP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360328314 164284905 /nfs/dbraw/zinc/28/49/05/164284905.db2.gz FLVCWCBDMWPKEK-FUHWJXTLSA-N 2 2 338.517 2.311 10 0 EEAELP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000279305827 269269403 /nfs/dbraw/zinc/26/94/03/269269403.db2.gz AFIFTLHAJFNWBM-IRXDYDNUSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccccc1C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000279305827 269269405 /nfs/dbraw/zinc/26/94/05/269269405.db2.gz AFIFTLHAJFNWBM-IRXDYDNUSA-N 2 2 345.487 2.070 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292103603 275376794 /nfs/dbraw/zinc/37/67/94/275376794.db2.gz IHBNIDPWQBRQOP-BEFAXECRSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292103603 275376795 /nfs/dbraw/zinc/37/67/95/275376795.db2.gz IHBNIDPWQBRQOP-BEFAXECRSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292103603 275376796 /nfs/dbraw/zinc/37/67/96/275376796.db2.gz IHBNIDPWQBRQOP-BEFAXECRSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292103603 275376797 /nfs/dbraw/zinc/37/67/97/275376797.db2.gz IHBNIDPWQBRQOP-BEFAXECRSA-N 2 2 331.460 2.440 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000246733524 277068186 /nfs/dbraw/zinc/06/81/86/277068186.db2.gz GIYLGQHIDIAQFZ-KFWWJZLASA-N 2 2 347.425 2.203 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000246733524 277068187 /nfs/dbraw/zinc/06/81/87/277068187.db2.gz GIYLGQHIDIAQFZ-KFWWJZLASA-N 2 2 347.425 2.203 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000246733524 277068189 /nfs/dbraw/zinc/06/81/89/277068189.db2.gz GIYLGQHIDIAQFZ-KFWWJZLASA-N 2 2 347.425 2.203 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000246733524 277068190 /nfs/dbraw/zinc/06/81/90/277068190.db2.gz GIYLGQHIDIAQFZ-KFWWJZLASA-N 2 2 347.425 2.203 10 0 EEAELP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000186574308 280234627 /nfs/dbraw/zinc/23/46/27/280234627.db2.gz VSRDFCVETMCMNS-SFHVURJKSA-N 2 2 332.492 2.276 10 0 EEAELP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000186574308 280234632 /nfs/dbraw/zinc/23/46/32/280234632.db2.gz VSRDFCVETMCMNS-SFHVURJKSA-N 2 2 332.492 2.276 10 0 EEAELP C[NH+](C)CCCCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000264862514 289111317 /nfs/dbraw/zinc/11/13/17/289111317.db2.gz FGDPOLADOBYRLS-KRWDZBQOSA-N 2 2 335.517 2.235 10 0 EEAELP CCC(CC)[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000297328128 294213368 /nfs/dbraw/zinc/21/33/68/294213368.db2.gz SPUCNTJLWLGIFZ-GOSISDBHSA-N 2 2 344.459 2.088 10 0 EEAELP C[C@H]1CN(c2ccc(CNc3nc(N(C)C)cc[nH+]3)c[nH+]2)C[C@H](C)O1 ZINC000301746423 294889840 /nfs/dbraw/zinc/88/98/40/294889840.db2.gz YBQCYQRGWDFQCG-KBPBESRZSA-N 2 2 342.447 2.163 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000416878757 313345850 /nfs/dbraw/zinc/34/58/50/313345850.db2.gz DZEKHCAUNNHXAL-MRXNPFEDSA-N 2 2 337.427 2.344 10 0 EEAELP O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416938093 313366590 /nfs/dbraw/zinc/36/65/90/313366590.db2.gz KKPVCXPZWGOGBG-ZDUSSCGKSA-N 2 2 335.839 2.319 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000421321826 314085000 /nfs/dbraw/zinc/08/50/00/314085000.db2.gz RUGXIZXKVPMQTK-CQSZACIVSA-N 2 2 328.888 2.315 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000421321826 314085004 /nfs/dbraw/zinc/08/50/04/314085004.db2.gz RUGXIZXKVPMQTK-CQSZACIVSA-N 2 2 328.888 2.315 10 0 EEAELP C[NH+](C)C1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000431927732 314667507 /nfs/dbraw/zinc/66/75/07/314667507.db2.gz ZUVQOHULPFWWLT-UHFFFAOYSA-N 2 2 326.444 2.027 10 0 EEAELP Cc1nc(N2CCC(CCC[NH+]3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000443875332 315262674 /nfs/dbraw/zinc/26/26/74/315262674.db2.gz DHQQOIJUGUYMPG-UHFFFAOYSA-N 2 2 332.496 2.338 10 0 EEAELP Cc1nc(N(C)C)nc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000443875332 315262677 /nfs/dbraw/zinc/26/26/77/315262677.db2.gz DHQQOIJUGUYMPG-UHFFFAOYSA-N 2 2 332.496 2.338 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000525991469 317102277 /nfs/dbraw/zinc/10/22/77/317102277.db2.gz OJVRCWSMDOVHCI-UNEWFSDZSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000525991469 317102279 /nfs/dbraw/zinc/10/22/79/317102279.db2.gz OJVRCWSMDOVHCI-UNEWFSDZSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000525991469 317102283 /nfs/dbraw/zinc/10/22/83/317102283.db2.gz OJVRCWSMDOVHCI-UNEWFSDZSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000525991469 317102286 /nfs/dbraw/zinc/10/22/86/317102286.db2.gz OJVRCWSMDOVHCI-UNEWFSDZSA-N 2 2 330.476 2.381 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000538501954 318037110 /nfs/dbraw/zinc/03/71/10/318037110.db2.gz PDTGFVJRPBIRGB-UHFFFAOYSA-N 2 2 345.491 2.094 10 0 EEAELP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000564645188 319097129 /nfs/dbraw/zinc/09/71/29/319097129.db2.gz HSCYJACBDPYAQI-UHFFFAOYSA-N 2 2 329.404 2.013 10 0 EEAELP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000564645188 319097130 /nfs/dbraw/zinc/09/71/30/319097130.db2.gz HSCYJACBDPYAQI-UHFFFAOYSA-N 2 2 329.404 2.013 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]([NH3+])CC ZINC000566294715 319270957 /nfs/dbraw/zinc/27/09/57/319270957.db2.gz JLBCRMRBKADRLH-FHLIZLRMSA-N 2 2 332.492 2.186 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@@H]([NH3+])CC ZINC000566294715 319270960 /nfs/dbraw/zinc/27/09/60/319270960.db2.gz JLBCRMRBKADRLH-FHLIZLRMSA-N 2 2 332.492 2.186 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1C(F)(F)F ZINC000567043890 319342537 /nfs/dbraw/zinc/34/25/37/319342537.db2.gz ZRXPTWGBUWRYND-STQMWFEESA-N 2 2 339.361 2.479 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1C(F)(F)F ZINC000567043890 319342539 /nfs/dbraw/zinc/34/25/39/319342539.db2.gz ZRXPTWGBUWRYND-STQMWFEESA-N 2 2 339.361 2.479 10 0 EEAELP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000567572495 319391775 /nfs/dbraw/zinc/39/17/75/319391775.db2.gz AVMHJRDLGJCVIY-HOTGVXAUSA-N 2 2 345.491 2.108 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000567617459 319398065 /nfs/dbraw/zinc/39/80/65/319398065.db2.gz KSJVDXFRPWZHNT-UHFFFAOYSA-N 2 2 332.473 2.406 10 0 EEAELP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000576766202 320202179 /nfs/dbraw/zinc/20/21/79/320202179.db2.gz SGLLSOUURXZAAC-FUHWJXTLSA-N 2 2 345.487 2.006 10 0 EEAELP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000576766202 320202182 /nfs/dbraw/zinc/20/21/82/320202182.db2.gz SGLLSOUURXZAAC-FUHWJXTLSA-N 2 2 345.487 2.006 10 0 EEAELP Cc1[nH+]cc(C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)n1C ZINC000577006370 320223948 /nfs/dbraw/zinc/22/39/48/320223948.db2.gz SKYINVGDVBJHQI-UHFFFAOYSA-N 2 2 326.444 2.371 10 0 EEAELP Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000577951253 320285513 /nfs/dbraw/zinc/28/55/13/320285513.db2.gz HHDPHNJLTPITFU-GOOCMWNKSA-N 2 2 338.411 2.138 10 0 EEAELP CN(CCC[N@H+](C)Cc1ncc(C(F)(F)F)s1)CC[NH+](C)C ZINC000580741267 324121207 /nfs/dbraw/zinc/12/12/07/324121207.db2.gz PVHYIXDCKZIXIH-UHFFFAOYSA-N 2 2 338.443 2.477 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ncc(C(F)(F)F)s1)CC[NH+](C)C ZINC000580741267 324121209 /nfs/dbraw/zinc/12/12/09/324121209.db2.gz PVHYIXDCKZIXIH-UHFFFAOYSA-N 2 2 338.443 2.477 10 0 EEAELP CCc1nc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)cc(C)[nH+]1 ZINC000624708291 450958741 /nfs/dbraw/zinc/95/87/41/450958741.db2.gz SZZNLJNBLMFPGM-INIZCTEOSA-N 2 2 327.432 2.055 10 0 EEAELP CCc1nc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)cc(C)[nH+]1 ZINC000624708291 450958744 /nfs/dbraw/zinc/95/87/44/450958744.db2.gz SZZNLJNBLMFPGM-INIZCTEOSA-N 2 2 327.432 2.055 10 0 EEAELP Cc1nc(NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)nc(N)[nH+]1 ZINC000631043185 451548574 /nfs/dbraw/zinc/54/85/74/451548574.db2.gz NBIJPQNCLMHJID-ZDUSSCGKSA-N 2 2 332.477 2.131 10 0 EEAELP Cc1nc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631059946 451561672 /nfs/dbraw/zinc/56/16/72/451561672.db2.gz SHFLFCITNNCHKS-ZDUSSCGKSA-N 2 2 326.448 2.028 10 0 EEAELP Cc1nc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)nc(N)[nH+]1 ZINC000631059946 451561676 /nfs/dbraw/zinc/56/16/76/451561676.db2.gz SHFLFCITNNCHKS-ZDUSSCGKSA-N 2 2 326.448 2.028 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)[nH+]1 ZINC000631059946 451561681 /nfs/dbraw/zinc/56/16/81/451561681.db2.gz SHFLFCITNNCHKS-ZDUSSCGKSA-N 2 2 326.448 2.028 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)[nH+]1 ZINC000631059946 451561687 /nfs/dbraw/zinc/56/16/87/451561687.db2.gz SHFLFCITNNCHKS-ZDUSSCGKSA-N 2 2 326.448 2.028 10 0 EEAELP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000358427852 465115954 /nfs/dbraw/zinc/11/59/54/465115954.db2.gz WBOYNLDZGSBDSR-KRWDZBQOSA-N 2 2 347.507 2.342 10 0 EEAELP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000358427852 465115961 /nfs/dbraw/zinc/11/59/61/465115961.db2.gz WBOYNLDZGSBDSR-KRWDZBQOSA-N 2 2 347.507 2.342 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000578864912 468270674 /nfs/dbraw/zinc/27/06/74/468270674.db2.gz YXPXQHJGRRSOHG-NVXWUHKLSA-N 2 2 325.403 2.214 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000578864912 468270678 /nfs/dbraw/zinc/27/06/78/468270678.db2.gz YXPXQHJGRRSOHG-NVXWUHKLSA-N 2 2 325.403 2.214 10 0 EEAELP C[NH+]1CCC(CNC(=O)NC(C)(C)C2CC2)([NH+]2CCCCC2)CC1 ZINC000535027363 468288872 /nfs/dbraw/zinc/28/88/72/468288872.db2.gz LQFWIRTYPOXGJL-UHFFFAOYSA-N 2 2 336.524 2.425 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116419109 462759710 /nfs/dbraw/zinc/75/97/10/462759710.db2.gz PEHRODGYMOYKCR-OAHLLOKOSA-N 2 2 335.496 2.313 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC000069849287 463338571 /nfs/dbraw/zinc/33/85/71/463338571.db2.gz PXHZAHOQLIAEIV-MJGOQNOKSA-N 2 2 344.503 2.427 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC000069849287 463338574 /nfs/dbraw/zinc/33/85/74/463338574.db2.gz PXHZAHOQLIAEIV-MJGOQNOKSA-N 2 2 344.503 2.427 10 0 EEAELP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000069849287 463338577 /nfs/dbraw/zinc/33/85/77/463338577.db2.gz PXHZAHOQLIAEIV-MJGOQNOKSA-N 2 2 344.503 2.427 10 0 EEAELP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000069849287 463338581 /nfs/dbraw/zinc/33/85/81/463338581.db2.gz PXHZAHOQLIAEIV-MJGOQNOKSA-N 2 2 344.503 2.427 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@H](C)C1 ZINC000081097019 463394783 /nfs/dbraw/zinc/39/47/83/463394783.db2.gz TYLVKSBVYMYLOP-HUUCEWRRSA-N 2 2 349.523 2.318 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@H](C)C1 ZINC000081097019 463394786 /nfs/dbraw/zinc/39/47/86/463394786.db2.gz TYLVKSBVYMYLOP-HUUCEWRRSA-N 2 2 349.523 2.318 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@H](C)C1 ZINC000081097019 463394789 /nfs/dbraw/zinc/39/47/89/463394789.db2.gz TYLVKSBVYMYLOP-HUUCEWRRSA-N 2 2 349.523 2.318 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@H](C)C1 ZINC000081097019 463394790 /nfs/dbraw/zinc/39/47/90/463394790.db2.gz TYLVKSBVYMYLOP-HUUCEWRRSA-N 2 2 349.523 2.318 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105085187 463437368 /nfs/dbraw/zinc/43/73/68/463437368.db2.gz AHPBHKKDXREOTM-UHFFFAOYSA-N 2 2 341.459 2.224 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105185390 463443608 /nfs/dbraw/zinc/44/36/08/463443608.db2.gz IUHIEGMWEMKXKA-QGZVFWFLSA-N 2 2 339.443 2.252 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105185390 463443612 /nfs/dbraw/zinc/44/36/12/463443612.db2.gz IUHIEGMWEMKXKA-QGZVFWFLSA-N 2 2 339.443 2.252 10 0 EEAELP CC1CCC([NH+]2CCN(C(=O)[C@H]3CCCn4cc[nH+]c43)CC2)CC1 ZINC000081764209 463490002 /nfs/dbraw/zinc/49/00/02/463490002.db2.gz OOCDSVIVIADIMX-JCYILVPMSA-N 2 2 330.476 2.483 10 0 EEAELP COCc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)ccc1OC ZINC000151314632 463511583 /nfs/dbraw/zinc/51/15/83/463511583.db2.gz IPSACCONVKCEMA-CRAIPNDOSA-N 2 2 336.476 2.339 10 0 EEAELP C[C@@H]1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000268339998 463709995 /nfs/dbraw/zinc/70/99/95/463709995.db2.gz ONPRNLOSBMLSPJ-ZBFHGGJFSA-N 2 2 342.447 2.209 10 0 EEAELP C[C@H]1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000268339997 463710085 /nfs/dbraw/zinc/71/00/85/463710085.db2.gz ONPRNLOSBMLSPJ-HOCLYGCPSA-N 2 2 342.447 2.209 10 0 EEAELP [NH3+]C1(C(=O)Nc2ccc(-c3cn4c([nH+]3)CCCC4)cc2)CCOCC1 ZINC000261835604 463873515 /nfs/dbraw/zinc/87/35/15/463873515.db2.gz LDOCCDWIWVSBNL-UHFFFAOYSA-N 2 2 340.427 2.333 10 0 EEAELP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000185881203 463897252 /nfs/dbraw/zinc/89/72/52/463897252.db2.gz MBRTYNBQMVQLSC-MRXNPFEDSA-N 2 2 327.476 2.192 10 0 EEAELP Cc1csc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000178428207 463899322 /nfs/dbraw/zinc/89/93/22/463899322.db2.gz GFKMWQAFTNQUMU-ZDUSSCGKSA-N 2 2 333.461 2.078 10 0 EEAELP Cc1csc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)n1 ZINC000178428207 463899328 /nfs/dbraw/zinc/89/93/28/463899328.db2.gz GFKMWQAFTNQUMU-ZDUSSCGKSA-N 2 2 333.461 2.078 10 0 EEAELP CC(C)N1CCC[C@H]([N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195292818 464034354 /nfs/dbraw/zinc/03/43/54/464034354.db2.gz NQOCLXLVSUDCCT-MOPGFXCFSA-N 2 2 344.503 2.235 10 0 EEAELP CC(C)N1CCC[C@H]([N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195292818 464034359 /nfs/dbraw/zinc/03/43/59/464034359.db2.gz NQOCLXLVSUDCCT-MOPGFXCFSA-N 2 2 344.503 2.235 10 0 EEAELP CC(C)N1CCC[C@H]([NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000195292818 464034364 /nfs/dbraw/zinc/03/43/64/464034364.db2.gz NQOCLXLVSUDCCT-MOPGFXCFSA-N 2 2 344.503 2.235 10 0 EEAELP CC(C)N1CCC[C@H]([NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000195292818 464034366 /nfs/dbraw/zinc/03/43/66/464034366.db2.gz NQOCLXLVSUDCCT-MOPGFXCFSA-N 2 2 344.503 2.235 10 0 EEAELP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000269687384 464058701 /nfs/dbraw/zinc/05/87/01/464058701.db2.gz NDFZMUBOVBVVFC-AEFFLSMTSA-N 2 2 347.528 2.157 10 0 EEAELP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000269687384 464058708 /nfs/dbraw/zinc/05/87/08/464058708.db2.gz NDFZMUBOVBVVFC-AEFFLSMTSA-N 2 2 347.528 2.157 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2c(F)cccc2OC)CC1 ZINC000179903552 464205913 /nfs/dbraw/zinc/20/59/13/464205913.db2.gz PRQGZMNVLGKLAO-KBPBESRZSA-N 2 2 337.439 2.038 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000263851703 464215858 /nfs/dbraw/zinc/21/58/58/464215858.db2.gz QFGMSTWLWOJKBX-QGZVFWFLSA-N 2 2 349.434 2.147 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263851703 464215863 /nfs/dbraw/zinc/21/58/63/464215863.db2.gz QFGMSTWLWOJKBX-QGZVFWFLSA-N 2 2 349.434 2.147 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)s1 ZINC000237093885 464263452 /nfs/dbraw/zinc/26/34/52/464263452.db2.gz VSGBYFNNZHOEBI-KRWDZBQOSA-N 2 2 347.528 2.344 10 0 EEAELP Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000180673894 464367381 /nfs/dbraw/zinc/36/73/81/464367381.db2.gz PLBSLJABXPLCEK-CYBMUJFWSA-N 2 2 325.372 2.458 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000239351864 464442300 /nfs/dbraw/zinc/44/23/00/464442300.db2.gz AAEIDFDFTGOWCY-PBHICJAKSA-N 2 2 333.476 2.435 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000239351864 464442309 /nfs/dbraw/zinc/44/23/09/464442309.db2.gz AAEIDFDFTGOWCY-PBHICJAKSA-N 2 2 333.476 2.435 10 0 EEAELP CCS(=O)(=O)CCCCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000190592214 464683030 /nfs/dbraw/zinc/68/30/30/464683030.db2.gz YWJPYKBTHCLHQC-MRXNPFEDSA-N 2 2 339.505 2.420 10 0 EEAELP CCS(=O)(=O)CCCCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000190592214 464683033 /nfs/dbraw/zinc/68/30/33/464683033.db2.gz YWJPYKBTHCLHQC-MRXNPFEDSA-N 2 2 339.505 2.420 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000176414704 464767101 /nfs/dbraw/zinc/76/71/01/464767101.db2.gz XFZPIXCMVYRIPS-YOEHRIQHSA-N 2 2 343.475 2.373 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000176414704 464767107 /nfs/dbraw/zinc/76/71/07/464767107.db2.gz XFZPIXCMVYRIPS-YOEHRIQHSA-N 2 2 343.475 2.373 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266762470 464812478 /nfs/dbraw/zinc/81/24/78/464812478.db2.gz PLTUEKQHHUXEEM-DLBZAZTESA-N 2 2 341.459 2.411 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266762470 464812484 /nfs/dbraw/zinc/81/24/84/464812484.db2.gz PLTUEKQHHUXEEM-DLBZAZTESA-N 2 2 341.459 2.411 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@H]2CCOc3ccccc32)CC1 ZINC000177117404 464935065 /nfs/dbraw/zinc/93/50/65/464935065.db2.gz CNUVVHSJGPQIJK-INIZCTEOSA-N 2 2 345.487 2.085 10 0 EEAELP Cc1cc(N2CCC(OCC[NH+](C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000351827648 465385965 /nfs/dbraw/zinc/38/59/65/465385965.db2.gz PDIBEKMEBKGSFF-UHFFFAOYSA-N 2 2 341.459 2.394 10 0 EEAELP COc1ccc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(OC)n1 ZINC000353082546 465623449 /nfs/dbraw/zinc/62/34/49/465623449.db2.gz PBYHBOWUOARAGH-UHFFFAOYSA-N 2 2 339.399 2.278 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)CC(=O)OC)CC1 ZINC000353268457 465760908 /nfs/dbraw/zinc/76/09/08/465760908.db2.gz RFUUXQNWZQRPJE-UHFFFAOYSA-N 2 2 333.476 2.214 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC)CC(=O)OC)CC1 ZINC000353268457 465760914 /nfs/dbraw/zinc/76/09/14/465760914.db2.gz RFUUXQNWZQRPJE-UHFFFAOYSA-N 2 2 333.476 2.214 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@H](C4CC4)C3)c2cc1C ZINC000362560983 465832205 /nfs/dbraw/zinc/83/22/05/465832205.db2.gz OKSRIBWGNCJGFB-LPHOPBHVSA-N 2 2 329.444 2.125 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@H](C4CC4)C3)c2cc1C ZINC000362560983 465832215 /nfs/dbraw/zinc/83/22/15/465832215.db2.gz OKSRIBWGNCJGFB-LPHOPBHVSA-N 2 2 329.444 2.125 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000597135638 468455791 /nfs/dbraw/zinc/45/57/91/468455791.db2.gz PXFIPJZXHLOORJ-CQSZACIVSA-N 2 2 340.851 2.063 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000597135638 468455794 /nfs/dbraw/zinc/45/57/94/468455794.db2.gz PXFIPJZXHLOORJ-CQSZACIVSA-N 2 2 340.851 2.063 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000357229055 465873942 /nfs/dbraw/zinc/87/39/42/465873942.db2.gz ZNLODVBIMGKFAA-KRWDZBQOSA-N 2 2 347.507 2.362 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000357229055 465873949 /nfs/dbraw/zinc/87/39/49/465873949.db2.gz ZNLODVBIMGKFAA-KRWDZBQOSA-N 2 2 347.507 2.362 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[C@@H]21 ZINC000353611732 466010972 /nfs/dbraw/zinc/01/09/72/466010972.db2.gz FCDURWPQDJIASI-FSGKZVOOSA-N 3 2 335.536 2.217 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[C@@H]21 ZINC000353611732 466010979 /nfs/dbraw/zinc/01/09/79/466010979.db2.gz FCDURWPQDJIASI-FSGKZVOOSA-N 3 2 335.536 2.217 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000340463133 466108494 /nfs/dbraw/zinc/10/84/94/466108494.db2.gz NXSFCXXADLKGIK-IEBWSBKVSA-N 2 2 343.475 2.492 10 0 EEAELP CN(C)c1nc(NCc2ccc(N3CCCCCC3)[nH+]c2)cc[nH+]1 ZINC000354298739 466453920 /nfs/dbraw/zinc/45/39/20/466453920.db2.gz URALANNMZMHVEC-UHFFFAOYSA-N 2 2 326.448 2.930 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000310828146 466519485 /nfs/dbraw/zinc/51/94/85/466519485.db2.gz YHMNLSUBDPJQOW-YVWKXTFCSA-N 2 2 344.455 2.410 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000310828146 466519494 /nfs/dbraw/zinc/51/94/94/466519494.db2.gz YHMNLSUBDPJQOW-YVWKXTFCSA-N 2 2 344.455 2.410 10 0 EEAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000358189435 466526368 /nfs/dbraw/zinc/52/63/68/466526368.db2.gz MIFNPALUYOPAJZ-CGHHPOIWSA-N 2 2 327.472 2.421 10 0 EEAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000358189435 466526374 /nfs/dbraw/zinc/52/63/74/466526374.db2.gz MIFNPALUYOPAJZ-CGHHPOIWSA-N 2 2 327.472 2.421 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000358246768 466568434 /nfs/dbraw/zinc/56/84/34/466568434.db2.gz KZJWODNLVRKRCB-RNJTYBCJSA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000358246768 466568438 /nfs/dbraw/zinc/56/84/38/466568438.db2.gz KZJWODNLVRKRCB-RNJTYBCJSA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000358246768 466568443 /nfs/dbraw/zinc/56/84/43/466568443.db2.gz KZJWODNLVRKRCB-RNJTYBCJSA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000358246768 466568452 /nfs/dbraw/zinc/56/84/52/466568452.db2.gz KZJWODNLVRKRCB-RNJTYBCJSA-N 2 2 337.895 2.251 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000341098404 466582449 /nfs/dbraw/zinc/58/24/49/466582449.db2.gz KVXNUWZPYHLRRJ-HZPDHXFCSA-N 2 2 343.475 2.439 10 0 EEAELP C[N@H+](Cc1nc2ccccc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373214998 466729939 /nfs/dbraw/zinc/72/99/39/466729939.db2.gz HOIRKFDITIBBHN-MRXNPFEDSA-N 2 2 328.460 2.428 10 0 EEAELP C[N@@H+](Cc1nc2ccccc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373214998 466729942 /nfs/dbraw/zinc/72/99/42/466729942.db2.gz HOIRKFDITIBBHN-MRXNPFEDSA-N 2 2 328.460 2.428 10 0 EEAELP CN(Cc1nc2ccccc2o1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373214998 466729948 /nfs/dbraw/zinc/72/99/48/466729948.db2.gz HOIRKFDITIBBHN-MRXNPFEDSA-N 2 2 328.460 2.428 10 0 EEAELP CC[C@H](CC(F)F)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967986 471238631 /nfs/dbraw/zinc/23/86/31/471238631.db2.gz LMQCFXRFIDCQRM-UKRRQHHQSA-N 2 2 331.451 2.295 10 0 EEAELP CC[C@H](CC(F)F)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967986 471238632 /nfs/dbraw/zinc/23/86/32/471238632.db2.gz LMQCFXRFIDCQRM-UKRRQHHQSA-N 2 2 331.451 2.295 10 0 EEAELP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000423508879 466761014 /nfs/dbraw/zinc/76/10/14/466761014.db2.gz RAHUFMKTORESMR-FZKQIMNGSA-N 2 2 347.484 2.247 10 0 EEAELP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000423528088 466767251 /nfs/dbraw/zinc/76/72/51/466767251.db2.gz NSSBUMSUBWIVIZ-INIZCTEOSA-N 3 2 339.487 2.138 10 0 EEAELP O=C(C1CC[NH+](CC(F)F)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000370140436 466774227 /nfs/dbraw/zinc/77/42/27/466774227.db2.gz AWPIANCKDBKNGQ-UHFFFAOYSA-N 2 2 343.462 2.298 10 0 EEAELP Brc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000423570002 466775874 /nfs/dbraw/zinc/77/58/74/466775874.db2.gz MVDATZHLOATVMN-LSDHHAIUSA-N 2 2 325.250 2.478 10 0 EEAELP OC[C@H]1CCCCN1c1cc(NC2CC([NH+]3CCCCC3)C2)nc[nH+]1 ZINC000373679258 466885936 /nfs/dbraw/zinc/88/59/36/466885936.db2.gz DZVOSZROJGEBKH-AQFXKWCLSA-N 2 2 345.491 2.257 10 0 EEAELP OC[C@H]1CCCCN1c1cc(NC2CC([NH+]3CCCCC3)C2)[nH+]cn1 ZINC000373679258 466885942 /nfs/dbraw/zinc/88/59/42/466885942.db2.gz DZVOSZROJGEBKH-AQFXKWCLSA-N 2 2 345.491 2.257 10 0 EEAELP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945142 466997568 /nfs/dbraw/zinc/99/75/68/466997568.db2.gz QTELUPJWHXPARV-HUUCEWRRSA-N 2 2 342.846 2.133 10 0 EEAELP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945142 466997572 /nfs/dbraw/zinc/99/75/72/466997572.db2.gz QTELUPJWHXPARV-HUUCEWRRSA-N 2 2 342.846 2.133 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)[nH+]cn2)CC1 ZINC000413113303 467172623 /nfs/dbraw/zinc/17/26/23/467172623.db2.gz YDKKYXZLFFRCLB-WBVHZDCISA-N 2 2 347.507 2.218 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)nc[nH+]2)CC1 ZINC000413113303 467172626 /nfs/dbraw/zinc/17/26/26/467172626.db2.gz YDKKYXZLFFRCLB-WBVHZDCISA-N 2 2 347.507 2.218 10 0 EEAELP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncn1 ZINC000428210397 467213003 /nfs/dbraw/zinc/21/30/03/467213003.db2.gz SRSHAONMABZVFK-UHFFFAOYSA-N 3 2 345.535 2.413 10 0 EEAELP Cc1cc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncn1 ZINC000428210397 467213009 /nfs/dbraw/zinc/21/30/09/467213009.db2.gz SRSHAONMABZVFK-UHFFFAOYSA-N 3 2 345.535 2.413 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000378200552 467226489 /nfs/dbraw/zinc/22/64/89/467226489.db2.gz GEUZBAACDHHFIN-UHFFFAOYSA-N 2 2 329.448 2.195 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433902540 467361657 /nfs/dbraw/zinc/36/16/57/467361657.db2.gz CTWZUFOWNPIGCK-MRXNPFEDSA-N 2 2 333.480 2.355 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433902540 467361659 /nfs/dbraw/zinc/36/16/59/467361659.db2.gz CTWZUFOWNPIGCK-MRXNPFEDSA-N 2 2 333.480 2.355 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000389126345 467398811 /nfs/dbraw/zinc/39/88/11/467398811.db2.gz DFAZEFBSUACPPO-GFCCVEGCSA-N 2 2 341.249 2.404 10 0 EEAELP COc1nccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000395114329 467435728 /nfs/dbraw/zinc/43/57/28/467435728.db2.gz CERBPPBYJJCEDN-NZSAHSFTSA-N 2 2 338.455 2.485 10 0 EEAELP COc1nccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000395114329 467435731 /nfs/dbraw/zinc/43/57/31/467435731.db2.gz CERBPPBYJJCEDN-NZSAHSFTSA-N 2 2 338.455 2.485 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(C2CCCCC2)n1 ZINC000449389084 467635534 /nfs/dbraw/zinc/63/55/34/467635534.db2.gz BWTDGNFQOXCBOF-GOSISDBHSA-N 2 2 334.508 2.404 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(C2CCCCC2)n1 ZINC000449389084 467635536 /nfs/dbraw/zinc/63/55/36/467635536.db2.gz BWTDGNFQOXCBOF-GOSISDBHSA-N 2 2 334.508 2.404 10 0 EEAELP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449391014 467636385 /nfs/dbraw/zinc/63/63/85/467636385.db2.gz HJWLLDIZGNPSRU-DOTOQJQBSA-N 2 2 334.460 2.173 10 0 EEAELP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449391014 467636387 /nfs/dbraw/zinc/63/63/87/467636387.db2.gz HJWLLDIZGNPSRU-DOTOQJQBSA-N 2 2 334.460 2.173 10 0 EEAELP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1O ZINC000449391386 467636448 /nfs/dbraw/zinc/63/64/48/467636448.db2.gz IEZXQWABBMTRHC-DOTOQJQBSA-N 2 2 336.476 2.158 10 0 EEAELP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1O ZINC000449391386 467636449 /nfs/dbraw/zinc/63/64/49/467636449.db2.gz IEZXQWABBMTRHC-DOTOQJQBSA-N 2 2 336.476 2.158 10 0 EEAELP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1F ZINC000449397070 467638716 /nfs/dbraw/zinc/63/87/16/467638716.db2.gz ULWIMVANJFYITJ-NVXWUHKLSA-N 2 2 338.467 2.449 10 0 EEAELP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1F ZINC000449397070 467638719 /nfs/dbraw/zinc/63/87/19/467638719.db2.gz ULWIMVANJFYITJ-NVXWUHKLSA-N 2 2 338.467 2.449 10 0 EEAELP CN1CC[NH+](Cc2cccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)c2)CC1 ZINC000514732462 467951907 /nfs/dbraw/zinc/95/19/07/467951907.db2.gz JJGCLJORWYDKJK-GOSISDBHSA-N 2 2 344.503 2.151 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)[C@@H](c1ccccc1)N1CCOCC1 ZINC000530217339 467964233 /nfs/dbraw/zinc/96/42/33/467964233.db2.gz GBAIHBDLWMYQQD-WDSOQIARSA-N 2 2 329.488 2.323 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530219699 467965058 /nfs/dbraw/zinc/96/50/58/467965058.db2.gz MRODLSDKJUVZPO-CZUORRHYSA-N 2 2 337.489 2.383 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000487267073 468030493 /nfs/dbraw/zinc/03/04/93/468030493.db2.gz DQWSZYFLEUCMLF-GFCCVEGCSA-N 2 2 329.286 2.393 10 0 EEAELP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000487267073 468030495 /nfs/dbraw/zinc/03/04/95/468030495.db2.gz DQWSZYFLEUCMLF-GFCCVEGCSA-N 2 2 329.286 2.393 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[NH+]3[C@@H](C)CCC[C@@H]3C)nc[nH+]2)C1 ZINC000583011191 468628997 /nfs/dbraw/zinc/62/89/97/468628997.db2.gz OHYVBWLGWHVNQS-LUKYLMHMSA-N 2 2 347.507 2.359 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000570564061 468656854 /nfs/dbraw/zinc/65/68/54/468656854.db2.gz FWIPKUMBAUDGBW-RTWAWAEBSA-N 2 2 342.483 2.444 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000570564061 468656857 /nfs/dbraw/zinc/65/68/57/468656857.db2.gz FWIPKUMBAUDGBW-RTWAWAEBSA-N 2 2 342.483 2.444 10 0 EEAELP C[C@H](CSCCF)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000595099366 468757712 /nfs/dbraw/zinc/75/77/12/468757712.db2.gz LWSDZAVMXWEWEC-SJLPKXTDSA-N 2 2 339.524 2.483 10 0 EEAELP C[C@H](CSCCF)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000595099366 468757715 /nfs/dbraw/zinc/75/77/15/468757715.db2.gz LWSDZAVMXWEWEC-SJLPKXTDSA-N 2 2 339.524 2.483 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000601327190 468827544 /nfs/dbraw/zinc/82/75/44/468827544.db2.gz SDUJVBIUQTXXRS-ZYHUDNBSSA-N 2 2 330.213 2.318 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc(I)cc2)C[C@H]1C[NH3+] ZINC000601327190 468827549 /nfs/dbraw/zinc/82/75/49/468827549.db2.gz SDUJVBIUQTXXRS-ZYHUDNBSSA-N 2 2 330.213 2.318 10 0 EEAELP CC[C@H]([NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H](O)C(F)F ZINC000572243190 468906071 /nfs/dbraw/zinc/90/60/71/468906071.db2.gz PYCFYTKAFWOPPE-DVOMOZLQSA-N 2 2 341.402 2.008 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000595905880 469075084 /nfs/dbraw/zinc/07/50/84/469075084.db2.gz IDBVLYNSRSDLDU-OAHLLOKOSA-N 2 2 338.423 2.155 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000595905880 469075092 /nfs/dbraw/zinc/07/50/92/469075092.db2.gz IDBVLYNSRSDLDU-OAHLLOKOSA-N 2 2 338.423 2.155 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)COC2CCC([NH3+])CC2)c1 ZINC000563064458 469157672 /nfs/dbraw/zinc/15/76/72/469157672.db2.gz FREMPHQNKZMBRZ-UHFFFAOYSA-N 2 2 328.416 2.312 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563338403 469230756 /nfs/dbraw/zinc/23/07/56/469230756.db2.gz JXEBZBYAVBGGHA-JSGCOSHPSA-N 2 2 349.784 2.325 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563338403 469230761 /nfs/dbraw/zinc/23/07/61/469230761.db2.gz JXEBZBYAVBGGHA-JSGCOSHPSA-N 2 2 349.784 2.325 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cscc1C(F)(F)F ZINC000622143863 469380353 /nfs/dbraw/zinc/38/03/53/469380353.db2.gz KLNHZYOYEAEBFN-UHFFFAOYSA-N 2 2 337.411 2.380 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cscc1C(F)(F)F ZINC000622143863 469380358 /nfs/dbraw/zinc/38/03/58/469380358.db2.gz KLNHZYOYEAEBFN-UHFFFAOYSA-N 2 2 337.411 2.380 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCc2c(O)cccc2C1 ZINC000626026644 469473753 /nfs/dbraw/zinc/47/37/53/469473753.db2.gz SNNNAEOGRPNXNI-GOSISDBHSA-N 2 2 326.440 2.243 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCc2c(O)cccc2C1 ZINC000626026644 469473759 /nfs/dbraw/zinc/47/37/59/469473759.db2.gz SNNNAEOGRPNXNI-GOSISDBHSA-N 2 2 326.440 2.243 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626026644 469473763 /nfs/dbraw/zinc/47/37/63/469473763.db2.gz SNNNAEOGRPNXNI-GOSISDBHSA-N 2 2 326.440 2.243 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCc2c(O)cccc2C1 ZINC000626026644 469473769 /nfs/dbraw/zinc/47/37/69/469473769.db2.gz SNNNAEOGRPNXNI-GOSISDBHSA-N 2 2 326.440 2.243 10 0 EEAELP C[C@H]1C[N@H+](CCN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCO1 ZINC000626075463 469494828 /nfs/dbraw/zinc/49/48/28/469494828.db2.gz JIEKYKNEUAGNFI-KRWDZBQOSA-N 2 2 342.487 2.006 10 0 EEAELP C[C@H]1C[N@@H+](CCN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCO1 ZINC000626075463 469494833 /nfs/dbraw/zinc/49/48/33/469494833.db2.gz JIEKYKNEUAGNFI-KRWDZBQOSA-N 2 2 342.487 2.006 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000612695087 469529088 /nfs/dbraw/zinc/52/90/88/469529088.db2.gz HNUAQFXELPYHOC-SJORKVTESA-N 2 2 338.455 2.263 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000612695087 469529090 /nfs/dbraw/zinc/52/90/90/469529090.db2.gz HNUAQFXELPYHOC-SJORKVTESA-N 2 2 338.455 2.263 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)CC2 ZINC000626285728 469564166 /nfs/dbraw/zinc/56/41/66/469564166.db2.gz AFZYXPPZFPIKMD-LMMKCTJWSA-N 2 2 338.455 2.316 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)CC2 ZINC000626285728 469564168 /nfs/dbraw/zinc/56/41/68/469564168.db2.gz AFZYXPPZFPIKMD-LMMKCTJWSA-N 2 2 338.455 2.316 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000629524461 469572546 /nfs/dbraw/zinc/57/25/46/469572546.db2.gz MKOYODOBZUVXRE-VAMGGRTRSA-N 3 2 343.515 2.385 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000629524461 469572554 /nfs/dbraw/zinc/57/25/54/469572554.db2.gz MKOYODOBZUVXRE-VAMGGRTRSA-N 3 2 343.515 2.385 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)cnc2n1 ZINC000629657214 469600299 /nfs/dbraw/zinc/60/02/99/469600299.db2.gz UYFWSXVQKAETJA-TZMCWYRMSA-N 2 2 341.381 2.305 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)cnc2n1 ZINC000629657214 469600303 /nfs/dbraw/zinc/60/03/03/469600303.db2.gz UYFWSXVQKAETJA-TZMCWYRMSA-N 2 2 341.381 2.305 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000629667270 469602669 /nfs/dbraw/zinc/60/26/69/469602669.db2.gz ULFLYMMHNVOFLS-KDURUIRLSA-N 2 2 340.427 2.237 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000629667270 469602673 /nfs/dbraw/zinc/60/26/73/469602673.db2.gz ULFLYMMHNVOFLS-KDURUIRLSA-N 2 2 340.427 2.237 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC000623639142 469718842 /nfs/dbraw/zinc/71/88/42/469718842.db2.gz ASFNJQFFBIVRPV-BHYGNILZSA-N 2 2 348.516 2.072 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC000623639142 469718847 /nfs/dbraw/zinc/71/88/47/469718847.db2.gz ASFNJQFFBIVRPV-BHYGNILZSA-N 2 2 348.516 2.072 10 0 EEAELP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000623817015 469768834 /nfs/dbraw/zinc/76/88/34/469768834.db2.gz YGLFKOPTGLIIKA-QWHCGFSZSA-N 2 2 348.369 2.214 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)c(Cl)cc1F ZINC000617765578 469795721 /nfs/dbraw/zinc/79/57/21/469795721.db2.gz HMXMSWFVARPKSR-UHFFFAOYSA-N 2 2 333.810 2.232 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)c(Cl)cc1F ZINC000617765578 469795724 /nfs/dbraw/zinc/79/57/24/469795724.db2.gz HMXMSWFVARPKSR-UHFFFAOYSA-N 2 2 333.810 2.232 10 0 EEAELP Cc1nc(CC2CC2)sc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765257 469796324 /nfs/dbraw/zinc/79/63/24/469796324.db2.gz YPCFVRDXNOUPKJ-UHFFFAOYSA-N 2 2 338.521 2.017 10 0 EEAELP Cc1nc(CC2CC2)sc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765257 469796329 /nfs/dbraw/zinc/79/63/29/469796329.db2.gz YPCFVRDXNOUPKJ-UHFFFAOYSA-N 2 2 338.521 2.017 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000617767011 469796938 /nfs/dbraw/zinc/79/69/38/469796938.db2.gz CMIFDAVGUUOZJP-UONOGXRCSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000617767011 469796942 /nfs/dbraw/zinc/79/69/42/469796942.db2.gz CMIFDAVGUUOZJP-UONOGXRCSA-N 2 2 337.430 2.355 10 0 EEAELP Cc1cccc2c(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c[nH]c21 ZINC000617766288 469797739 /nfs/dbraw/zinc/79/77/39/469797739.db2.gz FBYNXTBPNQRWEV-UHFFFAOYSA-N 2 2 330.476 2.019 10 0 EEAELP Cc1cccc2c(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c[nH]c21 ZINC000617766288 469797740 /nfs/dbraw/zinc/79/77/40/469797740.db2.gz FBYNXTBPNQRWEV-UHFFFAOYSA-N 2 2 330.476 2.019 10 0 EEAELP C1=CC[NH+]([C@@H]2CCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)C2)C1 ZINC000623997399 469815146 /nfs/dbraw/zinc/81/51/46/469815146.db2.gz LPFPXICLGYIJMQ-GOSISDBHSA-N 2 2 333.439 2.447 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000627163127 469830180 /nfs/dbraw/zinc/83/01/80/469830180.db2.gz AXLITJSDNFIEAY-CWRNSKLLSA-N 2 2 336.505 2.277 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000624593820 469984669 /nfs/dbraw/zinc/98/46/69/469984669.db2.gz FAIJLWGEQQWNGT-SOUVJXGZSA-N 2 2 343.431 2.230 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](c1nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000624593820 469984673 /nfs/dbraw/zinc/98/46/73/469984673.db2.gz FAIJLWGEQQWNGT-SOUVJXGZSA-N 2 2 343.431 2.230 10 0 EEAELP CCOc1cc2[nH+]ccc(NC[C@@H]3COCC[N@@H+]3C)c2cc1OCC ZINC000624619919 469991284 /nfs/dbraw/zinc/99/12/84/469991284.db2.gz PQEUDBQEJIQNFY-CQSZACIVSA-N 2 2 345.443 2.197 10 0 EEAELP CCOc1cc2[nH+]ccc(NC[C@@H]3COCC[N@H+]3C)c2cc1OCC ZINC000624619919 469991285 /nfs/dbraw/zinc/99/12/85/469991285.db2.gz PQEUDBQEJIQNFY-CQSZACIVSA-N 2 2 345.443 2.197 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621371643 470038455 /nfs/dbraw/zinc/03/84/55/470038455.db2.gz HVDNHKCQJQKLAM-FMKPAKJESA-N 2 2 342.443 2.354 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621371643 470038456 /nfs/dbraw/zinc/03/84/56/470038456.db2.gz HVDNHKCQJQKLAM-FMKPAKJESA-N 2 2 342.443 2.354 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000628062770 470049926 /nfs/dbraw/zinc/04/99/26/470049926.db2.gz PDJPXXSPBMVHFE-ZWKOTPCHSA-N 2 2 335.467 2.319 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1 ZINC000628062770 470049929 /nfs/dbraw/zinc/04/99/29/470049929.db2.gz PDJPXXSPBMVHFE-ZWKOTPCHSA-N 2 2 335.467 2.319 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000631183314 470088264 /nfs/dbraw/zinc/08/82/64/470088264.db2.gz OHQMFFKAHBSNLA-AZUAARDMSA-N 2 2 346.471 2.055 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621782091 470106657 /nfs/dbraw/zinc/10/66/57/470106657.db2.gz MGQBSNAEQQZVKU-UCLAIMLFSA-N 2 2 331.435 2.443 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621782091 470106660 /nfs/dbraw/zinc/10/66/60/470106660.db2.gz MGQBSNAEQQZVKU-UCLAIMLFSA-N 2 2 331.435 2.443 10 0 EEAELP COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631885467 470189279 /nfs/dbraw/zinc/18/92/79/470189279.db2.gz AUIQQVHSSAGJON-GOEBONIOSA-N 2 2 328.416 2.319 10 0 EEAELP COc1ccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000631885467 470189280 /nfs/dbraw/zinc/18/92/80/470189280.db2.gz AUIQQVHSSAGJON-GOEBONIOSA-N 2 2 328.416 2.319 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N[C@H](c1ccccc1)C1CC1 ZINC000631888346 470189636 /nfs/dbraw/zinc/18/96/36/470189636.db2.gz VIYDXPNZRYAPNS-WSTZPKSXSA-N 2 2 327.472 2.328 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N[C@H](c1ccccc1)C1CC1 ZINC000631888346 470189637 /nfs/dbraw/zinc/18/96/37/470189637.db2.gz VIYDXPNZRYAPNS-WSTZPKSXSA-N 2 2 327.472 2.328 10 0 EEAELP C[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1ncccc1F ZINC000634194277 470230169 /nfs/dbraw/zinc/23/01/69/470230169.db2.gz QZMRTXWXBYRHHP-ZDUSSCGKSA-N 2 2 343.406 2.110 10 0 EEAELP C[C@@H](CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1)c1cccnc1 ZINC000634195528 470230529 /nfs/dbraw/zinc/23/05/29/470230529.db2.gz CEBXDTCYTJKRNX-HNNXBMFYSA-N 2 2 339.443 2.361 10 0 EEAELP Cn1cc(C2=CCC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000639794745 470670796 /nfs/dbraw/zinc/67/07/96/470670796.db2.gz SNDBHWHIIKQRDS-HXUWFJFHSA-N 2 2 340.471 2.002 10 0 EEAELP Cn1cc(C2=CCC[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000639794745 470670799 /nfs/dbraw/zinc/67/07/99/470670799.db2.gz SNDBHWHIIKQRDS-HXUWFJFHSA-N 2 2 340.471 2.002 10 0 EEAELP Cn1cc(C2=CCC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC000639794745 470670803 /nfs/dbraw/zinc/67/08/03/470670803.db2.gz SNDBHWHIIKQRDS-HXUWFJFHSA-N 2 2 340.471 2.002 10 0 EEAELP Cn1cc(C2=CCC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000639794745 470670805 /nfs/dbraw/zinc/67/08/05/470670805.db2.gz SNDBHWHIIKQRDS-HXUWFJFHSA-N 2 2 340.471 2.002 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCc1cc(F)cc(F)c1 ZINC000647900733 471011234 /nfs/dbraw/zinc/01/12/34/471011234.db2.gz FUELTRSRIJJNPV-YOEHRIQHSA-N 2 2 337.414 2.045 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCc1cc(F)cc(F)c1 ZINC000647900733 471011236 /nfs/dbraw/zinc/01/12/36/471011236.db2.gz FUELTRSRIJJNPV-YOEHRIQHSA-N 2 2 337.414 2.045 10 0 EEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901641 471012203 /nfs/dbraw/zinc/01/22/03/471012203.db2.gz SDEZGEZFHKNGTO-UONOGXRCSA-N 2 2 335.414 2.250 10 0 EEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901641 471012206 /nfs/dbraw/zinc/01/22/06/471012206.db2.gz SDEZGEZFHKNGTO-UONOGXRCSA-N 2 2 335.414 2.250 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901187 471012631 /nfs/dbraw/zinc/01/26/31/471012631.db2.gz KONSWUGZZHATSX-BHIYHBOVSA-N 2 2 329.488 2.198 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901187 471012633 /nfs/dbraw/zinc/01/26/33/471012633.db2.gz KONSWUGZZHATSX-BHIYHBOVSA-N 2 2 329.488 2.198 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000651332052 471132729 /nfs/dbraw/zinc/13/27/29/471132729.db2.gz MKMGUHNWIPNUMM-UHFFFAOYSA-N 2 2 330.476 2.096 10 0 EEAELP CSc1ccc[nH+]c1NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000651971818 471188267 /nfs/dbraw/zinc/18/82/67/471188267.db2.gz WEWNCBBHSGBYLQ-UHFFFAOYSA-N 2 2 336.505 2.012 10 0 EEAELP c1nc(-c2ccccc2)[nH]c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750231 471225067 /nfs/dbraw/zinc/22/50/67/471225067.db2.gz FBERLTGDJOMROK-GOSISDBHSA-N 2 2 326.444 2.420 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000652287881 471267156 /nfs/dbraw/zinc/26/71/56/471267156.db2.gz LKZHYTPHDVQDFS-UHFFFAOYSA-N 2 2 327.432 2.218 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000652287881 471267159 /nfs/dbraw/zinc/26/71/59/471267159.db2.gz LKZHYTPHDVQDFS-UHFFFAOYSA-N 2 2 327.432 2.218 10 0 EEAELP C[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000660419689 471332823 /nfs/dbraw/zinc/33/28/23/471332823.db2.gz CVLLPUAOTBFLHK-WBVHZDCISA-N 2 2 341.459 2.445 10 0 EEAELP C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000660419689 471332824 /nfs/dbraw/zinc/33/28/24/471332824.db2.gz CVLLPUAOTBFLHK-WBVHZDCISA-N 2 2 341.459 2.445 10 0 EEAELP COc1cccc([C@@H](CNC(=O)N[C@H](C)c2[nH+]ccn2C)[NH+](C)C)c1 ZINC000663445040 471380483 /nfs/dbraw/zinc/38/04/83/471380483.db2.gz NQOLIQVTPMQYQB-CZUORRHYSA-N 2 2 345.447 2.092 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000660588731 471405395 /nfs/dbraw/zinc/40/53/95/471405395.db2.gz BQZKRXUWVIEYPY-LLVKDONJSA-N 2 2 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ZINC000669694815 471593720 /nfs/dbraw/zinc/59/37/20/471593720.db2.gz SBSBSVJYRANPQW-HNNXBMFYSA-N 2 2 339.505 2.224 10 0 EEAELP CS(=O)(=O)CCCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694815 471593725 /nfs/dbraw/zinc/59/37/25/471593725.db2.gz SBSBSVJYRANPQW-HNNXBMFYSA-N 2 2 339.505 2.224 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667045847 471633525 /nfs/dbraw/zinc/63/35/25/471633525.db2.gz PZMDUNZJOGLOLO-HYVNUMGLSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667045847 471633528 /nfs/dbraw/zinc/63/35/28/471633528.db2.gz PZMDUNZJOGLOLO-HYVNUMGLSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667045847 471633533 /nfs/dbraw/zinc/63/35/33/471633533.db2.gz PZMDUNZJOGLOLO-HYVNUMGLSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667045847 471633538 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EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC000653778679 471738671 /nfs/dbraw/zinc/73/86/71/471738671.db2.gz CNLYSFSAFHPPDV-MRXNPFEDSA-N 2 2 334.460 2.421 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000653778679 471738674 /nfs/dbraw/zinc/73/86/74/471738674.db2.gz CNLYSFSAFHPPDV-MRXNPFEDSA-N 2 2 334.460 2.421 10 0 EEAELP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cccc(F)c1F ZINC000664560919 471795284 /nfs/dbraw/zinc/79/52/84/471795284.db2.gz UFKJFNMFSQMOML-CYBMUJFWSA-N 2 2 342.434 2.209 10 0 EEAELP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cccc(F)c1F ZINC000664560919 471795287 /nfs/dbraw/zinc/79/52/87/471795287.db2.gz UFKJFNMFSQMOML-CYBMUJFWSA-N 2 2 342.434 2.209 10 0 EEAELP O=C(NC1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1)C1CCCCC1 ZINC000667563481 471824018 /nfs/dbraw/zinc/82/40/18/471824018.db2.gz DVDLLSNKZQECMO-UHFFFAOYSA-N 2 2 330.476 2.490 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000654067936 471827075 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ZPIFOEZNJGBSPR-NCXUSEDFSA-N 2 2 327.472 2.364 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCc2cncc(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665274474 471987081 /nfs/dbraw/zinc/98/70/81/471987081.db2.gz QRXXUWBBOMROHQ-RBUKOAKNSA-N 2 2 326.444 2.419 10 0 EEAELP CCO[C@@H](C)c1nc(C[N@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662261713 472047843 /nfs/dbraw/zinc/04/78/43/472047843.db2.gz AFAPETHLZLCZIW-JSGCOSHPSA-N 2 2 325.478 2.193 10 0 EEAELP CCO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cs1 ZINC000662261713 472047846 /nfs/dbraw/zinc/04/78/46/472047846.db2.gz AFAPETHLZLCZIW-JSGCOSHPSA-N 2 2 325.478 2.193 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662320328 472068595 /nfs/dbraw/zinc/06/85/95/472068595.db2.gz SYRSWUMOAJPZFS-HKUYNNGSSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662320328 472068602 /nfs/dbraw/zinc/06/86/02/472068602.db2.gz SYRSWUMOAJPZFS-HKUYNNGSSA-N 2 2 347.503 2.042 10 0 EEAELP CCc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000665536774 472083240 /nfs/dbraw/zinc/08/32/40/472083240.db2.gz ZBNQIRBIAUJRMB-QFBILLFUSA-N 2 2 340.471 2.496 10 0 EEAELP CCc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)cc1 ZINC000665536774 472083245 /nfs/dbraw/zinc/08/32/45/472083245.db2.gz ZBNQIRBIAUJRMB-QFBILLFUSA-N 2 2 340.471 2.496 10 0 EEAELP CCC(C)(C)[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000665787625 472186713 /nfs/dbraw/zinc/18/67/13/472186713.db2.gz OZNWFPDFOURRIM-OAHLLOKOSA-N 2 2 326.529 2.479 10 0 EEAELP CCC(C)(C)[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665787625 472186719 /nfs/dbraw/zinc/18/67/19/472186719.db2.gz OZNWFPDFOURRIM-OAHLLOKOSA-N 2 2 326.529 2.479 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)c2cc(C(C)(C)[NH3+])no2)c[nH+]1 ZINC000662675391 472200327 /nfs/dbraw/zinc/20/03/27/472200327.db2.gz MMLZZMYWAPKXCT-UHFFFAOYSA-N 2 2 331.420 2.040 10 0 EEAELP [NH3+]C1(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000662729001 472225404 /nfs/dbraw/zinc/22/54/04/472225404.db2.gz YTJUSEOEMSVKJN-AWEZNQCLSA-N 2 2 339.842 2.441 10 0 EEAELP [NH3+]C1(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000662729001 472225410 /nfs/dbraw/zinc/22/54/10/472225410.db2.gz YTJUSEOEMSVKJN-AWEZNQCLSA-N 2 2 339.842 2.441 10 0 EEAELP COC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000678764610 485496250 /nfs/dbraw/zinc/49/62/50/485496250.db2.gz WLWMMIXSGQSNND-WOJBJXKFSA-N 2 2 328.456 2.457 10 0 EEAELP COC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000678764610 485496256 /nfs/dbraw/zinc/49/62/56/485496256.db2.gz WLWMMIXSGQSNND-WOJBJXKFSA-N 2 2 328.456 2.457 10 0 EEAELP CC[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000679044713 485572289 /nfs/dbraw/zinc/57/22/89/485572289.db2.gz PUDJKDLZRDHLJK-UFYCRDLUSA-N 2 2 332.488 2.418 10 0 EEAELP CC[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000679044713 485572297 /nfs/dbraw/zinc/57/22/97/485572297.db2.gz PUDJKDLZRDHLJK-UFYCRDLUSA-N 2 2 332.488 2.418 10 0 EEAELP CN(c1cc(-n2cc[nH+]c2)ncn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675549670 486014795 /nfs/dbraw/zinc/01/47/95/486014795.db2.gz MGIHZWMABWDVAD-QGZVFWFLSA-N 2 2 334.427 2.373 10 0 EEAELP CN(c1cc(-n2cc[nH+]c2)ncn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675549670 486014798 /nfs/dbraw/zinc/01/47/98/486014798.db2.gz MGIHZWMABWDVAD-QGZVFWFLSA-N 2 2 334.427 2.373 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000192344605 528858128 /nfs/dbraw/zinc/85/81/28/528858128.db2.gz FQALMSXGOCTTJW-INIZCTEOSA-N 2 2 335.496 2.351 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000192344605 528858130 /nfs/dbraw/zinc/85/81/30/528858130.db2.gz FQALMSXGOCTTJW-INIZCTEOSA-N 2 2 335.496 2.351 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NCc2cccc(NC(=O)C[NH+](C)C)c2)C1 ZINC000230165677 535258581 /nfs/dbraw/zinc/25/85/81/535258581.db2.gz GPGGRELVDFJKJY-CRAIPNDOSA-N 2 2 332.492 2.005 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NCc2cccc(NC(=O)C[NH+](C)C)c2)C1 ZINC000230165677 535258585 /nfs/dbraw/zinc/25/85/85/535258585.db2.gz GPGGRELVDFJKJY-CRAIPNDOSA-N 2 2 332.492 2.005 10 0 EEAELP CC(C)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)C[NH+](C)C)c2)C1 ZINC000230165677 535258586 /nfs/dbraw/zinc/25/85/86/535258586.db2.gz GPGGRELVDFJKJY-CRAIPNDOSA-N 2 2 332.492 2.005 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@H](C)C(C)C)CC2)CC1 ZINC000422238766 535462176 /nfs/dbraw/zinc/46/21/76/535462176.db2.gz RYWLDMWEXPEJBR-KRWDZBQOSA-N 2 2 338.540 2.480 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@H](C)C(C)C)CC2)CC1 ZINC000422238766 535462179 /nfs/dbraw/zinc/46/21/79/535462179.db2.gz RYWLDMWEXPEJBR-KRWDZBQOSA-N 2 2 338.540 2.480 10 0 EEAELP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732456241 577181095 /nfs/dbraw/zinc/18/10/95/577181095.db2.gz UGGOZFYIJPULTG-GOSISDBHSA-N 2 2 339.443 2.250 10 0 EEAELP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732456241 577181096 /nfs/dbraw/zinc/18/10/96/577181096.db2.gz UGGOZFYIJPULTG-GOSISDBHSA-N 2 2 339.443 2.250 10 0 EEAELP C[C@H]1CC[N@H+](Cn2c3ccccc3n(C)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000759151979 577638049 /nfs/dbraw/zinc/63/80/49/577638049.db2.gz WCWDLFHOECQFGS-YOEHRIQHSA-N 2 2 325.416 2.077 10 0 EEAELP C[C@H]1CC[N@@H+](Cn2c3ccccc3n(C)c2=O)C[C@@H]1n1cc[nH+]c1 ZINC000759151979 577638050 /nfs/dbraw/zinc/63/80/50/577638050.db2.gz WCWDLFHOECQFGS-YOEHRIQHSA-N 2 2 325.416 2.077 10 0 EEAELP [NH3+][C@@H]1CC[C@H](C[NH2+]N2CCO[C@H](c3c(F)cccc3Cl)C2)C1 ZINC000926170576 676669778 /nfs/dbraw/zinc/66/97/78/676669778.db2.gz LGUMINFCVSBAIN-ZOWXZIJZSA-N 2 2 327.831 2.484 10 0 EEAELP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@@H]2CCCS(=O)(=O)CC2)CC1 ZINC000895112577 683949378 /nfs/dbraw/zinc/94/93/78/683949378.db2.gz BURXDBJLKAPHLB-BZUAXINKSA-N 2 2 337.489 2.125 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[nH]c1C ZINC000895558833 684642050 /nfs/dbraw/zinc/64/20/50/684642050.db2.gz XKFDICDLGJTYBB-ZDUSSCGKSA-N 2 2 328.416 2.215 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)[nH]c1C ZINC000895558833 684642052 /nfs/dbraw/zinc/64/20/52/684642052.db2.gz XKFDICDLGJTYBB-ZDUSSCGKSA-N 2 2 328.416 2.215 10 0 EEAELP COC(=O)CCn1nc(C)c(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000895671077 684681604 /nfs/dbraw/zinc/68/16/04/684681604.db2.gz NGAZVTXRUGHVMD-UHFFFAOYSA-N 2 2 348.491 2.123 10 0 EEAELP COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1(F)F ZINC000895706033 684690749 /nfs/dbraw/zinc/69/07/49/684690749.db2.gz HHEXZBPWXZIZLR-KKUMJFAQSA-N 2 2 335.354 2.268 10 0 EEAELP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)[C@H]1c1cccs1 ZINC000263242342 689555984 /nfs/dbraw/zinc/55/59/84/689555984.db2.gz OTOAMIFBJUCMLI-BZPMIXESSA-N 2 2 343.443 2.244 10 0 EEAELP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)[C@H]1c1cccs1 ZINC000263242342 689555990 /nfs/dbraw/zinc/55/59/90/689555990.db2.gz OTOAMIFBJUCMLI-BZPMIXESSA-N 2 2 343.443 2.244 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@@H+](C/C=C/Cl)C[C@@H]2C1 ZINC001485656926 1191891683 /nfs/dbraw/zinc/89/16/83/1191891683.db2.gz LEUFPXYDVSAJJQ-GLTFTGMOSA-N 2 2 336.867 2.242 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@H+](C/C=C/Cl)C[C@@H]2C1 ZINC001485656926 1191891685 /nfs/dbraw/zinc/89/16/85/1191891685.db2.gz LEUFPXYDVSAJJQ-GLTFTGMOSA-N 2 2 336.867 2.242 10 0 EEAELP CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001485673958 1191893350 /nfs/dbraw/zinc/89/33/50/1191893350.db2.gz UUYNQJHVFCDSMM-QGZVFWFLSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@H](CCC[NH2+]CC[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485727562 1191919413 /nfs/dbraw/zinc/91/94/13/1191919413.db2.gz MNZANRKDBMAULH-CABCVRRESA-N 2 2 344.459 2.478 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCc1ccsc1 ZINC001266948816 1177875176 /nfs/dbraw/zinc/87/51/76/1177875176.db2.gz LQWUDEBIZGXBSR-GOEBONIOSA-N 2 2 346.500 2.234 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001691405828 1178018617 /nfs/dbraw/zinc/01/86/17/1178018617.db2.gz IGTCYVOGDGCPIS-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[C@@H]2CCC[N@H+]2C[C@@H](C)O)c(C)[nH+]1 ZINC001267170955 1178396090 /nfs/dbraw/zinc/39/60/90/1178396090.db2.gz BMPJFAPZGVBHFL-NVXWUHKLSA-N 2 2 333.476 2.362 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[C@@H]2CCC[N@@H+]2C[C@@H](C)O)c(C)[nH+]1 ZINC001267170955 1178396098 /nfs/dbraw/zinc/39/60/98/1178396098.db2.gz BMPJFAPZGVBHFL-NVXWUHKLSA-N 2 2 333.476 2.362 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC001267176346 1178419704 /nfs/dbraw/zinc/41/97/04/1178419704.db2.gz DWYSTGHWCSLVDC-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)o1 ZINC001267176346 1178419708 /nfs/dbraw/zinc/41/97/08/1178419708.db2.gz DWYSTGHWCSLVDC-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP CCC[N@H+](CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C(C)C ZINC001267313389 1178739706 /nfs/dbraw/zinc/73/97/06/1178739706.db2.gz IYOLFLBBXLGYAY-GOSISDBHSA-N 2 2 339.524 2.257 10 0 EEAELP CCC[N@@H+](CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C(C)C ZINC001267313389 1178739709 /nfs/dbraw/zinc/73/97/09/1178739709.db2.gz IYOLFLBBXLGYAY-GOSISDBHSA-N 2 2 339.524 2.257 10 0 EEAELP CCC[NH+](CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001267313389 1178739714 /nfs/dbraw/zinc/73/97/14/1178739714.db2.gz IYOLFLBBXLGYAY-GOSISDBHSA-N 2 2 339.524 2.257 10 0 EEAELP CCC[NH+](CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001267313389 1178739717 /nfs/dbraw/zinc/73/97/17/1178739717.db2.gz IYOLFLBBXLGYAY-GOSISDBHSA-N 2 2 339.524 2.257 10 0 EEAELP Cc1nc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2C)C(C)C)oc1C ZINC001267340912 1178789493 /nfs/dbraw/zinc/78/94/93/1178789493.db2.gz RNVDIZVNAOFLCY-UHFFFAOYSA-N 2 2 347.463 2.213 10 0 EEAELP Cc1nc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2C)C(C)C)oc1C ZINC001267340912 1178789500 /nfs/dbraw/zinc/78/95/00/1178789500.db2.gz RNVDIZVNAOFLCY-UHFFFAOYSA-N 2 2 347.463 2.213 10 0 EEAELP Cc1cccnc1C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001267512806 1179226710 /nfs/dbraw/zinc/22/67/10/1179226710.db2.gz WDOPCKUYBBSLDN-UHFFFAOYSA-N 2 2 329.448 2.003 10 0 EEAELP Cc1cccnc1C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001267512806 1179226716 /nfs/dbraw/zinc/22/67/16/1179226716.db2.gz WDOPCKUYBBSLDN-UHFFFAOYSA-N 2 2 329.448 2.003 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]Cc1cnc(Cl)s1)n1cc[nH+]c1 ZINC001481285201 1180843360 /nfs/dbraw/zinc/84/33/60/1180843360.db2.gz BXGJATZRFJRNLF-NSHDSACASA-N 2 2 341.868 2.192 10 0 EEAELP C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268375518 1182389887 /nfs/dbraw/zinc/38/98/87/1182389887.db2.gz PFICZVSIZJAHNI-GFCCVEGCSA-N 2 2 341.390 2.395 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C/CNC(=O)c2sccc2C[NH+](C)C)o1 ZINC001268544918 1183221909 /nfs/dbraw/zinc/22/19/09/1183221909.db2.gz IVDNUSKYEMBYAI-SNAWJCMRSA-N 2 2 348.472 2.182 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001482174761 1183509581 /nfs/dbraw/zinc/50/95/81/1183509581.db2.gz IQCAQQXXQYQDPX-SJKOYZFVSA-N 2 2 348.397 2.191 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C\Cl)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268803611 1183722027 /nfs/dbraw/zinc/72/20/27/1183722027.db2.gz NAVYOIFZLSBMMC-CVCOIXHCSA-N 2 2 345.274 2.203 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268952092 1183846523 /nfs/dbraw/zinc/84/65/23/1183846523.db2.gz QIVOAEOUJOMSBY-XMONQQTPSA-N 2 2 342.487 2.477 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268952092 1183846528 /nfs/dbraw/zinc/84/65/28/1183846528.db2.gz QIVOAEOUJOMSBY-XMONQQTPSA-N 2 2 342.487 2.477 10 0 EEAELP O=C(NCC1([NH2+]Cc2ccccn2)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482221504 1184293077 /nfs/dbraw/zinc/29/30/77/1184293077.db2.gz LMZOJISQPWGHOR-HZPDHXFCSA-N 2 2 339.443 2.127 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001269770364 1184608183 /nfs/dbraw/zinc/60/81/83/1184608183.db2.gz KILXYBKJFADTSY-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001269787189 1184620055 /nfs/dbraw/zinc/62/00/55/1184620055.db2.gz ZAJVEKBXRHUHSE-OQZOHAQUSA-N 2 2 345.274 2.490 10 0 EEAELP C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001271529400 1186293329 /nfs/dbraw/zinc/29/33/29/1186293329.db2.gz FLPKCFKSQNHTIN-FUHWJXTLSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1cc(C[N@@H+](C)CCN(C)C(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001482637075 1187463673 /nfs/dbraw/zinc/46/36/73/1187463673.db2.gz ACJNQMYYAVLBBA-UHFFFAOYSA-N 2 2 338.521 2.074 10 0 EEAELP Cc1cc(C[N@H+](C)CCN(C)C(=O)C[NH+]2CCC(C)CC2)sn1 ZINC001482637075 1187463674 /nfs/dbraw/zinc/46/36/74/1187463674.db2.gz ACJNQMYYAVLBBA-UHFFFAOYSA-N 2 2 338.521 2.074 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)on1 ZINC001272782371 1193496268 /nfs/dbraw/zinc/49/62/68/1193496268.db2.gz OELCDGPHGIBJEC-GFCCVEGCSA-N 2 2 341.415 2.237 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](O)C[NH2+]CCCC(C)(C)C)ccn12 ZINC001482729733 1187696526 /nfs/dbraw/zinc/69/65/26/1187696526.db2.gz PVEAXKIUWYFCLC-INIZCTEOSA-N 2 2 346.475 2.149 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+][C@@H](C)c2ncc(C)o2)c[nH+]1 ZINC001482842411 1187761633 /nfs/dbraw/zinc/76/16/33/1187761633.db2.gz BXTAXBFSPWETMR-WFASDCNBSA-N 2 2 347.463 2.469 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CCn2cc[nH+]c2)sc1C ZINC001482860378 1187774005 /nfs/dbraw/zinc/77/40/05/1187774005.db2.gz XEXXZCPKSFKKAS-LBPRGKRZSA-N 2 2 335.477 2.031 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001483066037 1188394810 /nfs/dbraw/zinc/39/48/10/1188394810.db2.gz ZADYRWVIJAINHM-UPHRSURJSA-N 2 2 334.370 2.352 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001483141374 1188698335 /nfs/dbraw/zinc/69/83/35/1188698335.db2.gz TWDWHIZQOSLBPJ-LLVKDONJSA-N 2 2 341.415 2.330 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001483179300 1189034451 /nfs/dbraw/zinc/03/44/51/1189034451.db2.gz XJRNQQRMLIYZFO-CYBMUJFWSA-N 2 2 334.851 2.333 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccsc1 ZINC001485895958 1193633077 /nfs/dbraw/zinc/63/30/77/1193633077.db2.gz WWDXQEBDIWRWRM-HIFRSBDPSA-N 2 2 332.473 2.144 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001485949407 1193645923 /nfs/dbraw/zinc/64/59/23/1193645923.db2.gz QDTDRYQUMROFOK-CYBMUJFWSA-N 2 2 332.423 2.345 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC001485944045 1193653906 /nfs/dbraw/zinc/65/39/06/1193653906.db2.gz JWAZWGOJPGMJKM-AWEZNQCLSA-N 2 2 344.459 2.333 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001409623538 1190117181 /nfs/dbraw/zinc/11/71/81/1190117181.db2.gz KREBDLJPSWHQIN-OLZOCXBDSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001409623538 1190117185 /nfs/dbraw/zinc/11/71/85/1190117185.db2.gz KREBDLJPSWHQIN-OLZOCXBDSA-N 2 2 335.477 2.236 10 0 EEAELP C[C@@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001483366460 1190409611 /nfs/dbraw/zinc/40/96/11/1190409611.db2.gz OTNOJSJAGRJRLV-MAUKXSAKSA-N 2 2 340.471 2.477 10 0 EEAELP C[C@@H](C[N@@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001483366460 1190409615 /nfs/dbraw/zinc/40/96/15/1190409615.db2.gz OTNOJSJAGRJRLV-MAUKXSAKSA-N 2 2 340.471 2.477 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCOc2ccccc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001486088370 1193678128 /nfs/dbraw/zinc/67/81/28/1193678128.db2.gz HFZRDTZWEHRJJM-QAPCUYQASA-N 2 2 342.443 2.000 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C1CC1 ZINC001483610397 1190588852 /nfs/dbraw/zinc/58/88/52/1190588852.db2.gz XDTIGBUKBDLEIW-MOPGFXCFSA-N 2 2 338.455 2.445 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001483675851 1190735111 /nfs/dbraw/zinc/73/51/11/1190735111.db2.gz IJGCNGUPBAZROA-HNNXBMFYSA-N 2 2 336.480 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001483675851 1190735114 /nfs/dbraw/zinc/73/51/14/1190735114.db2.gz IJGCNGUPBAZROA-HNNXBMFYSA-N 2 2 336.480 2.139 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC001483703343 1190777326 /nfs/dbraw/zinc/77/73/26/1190777326.db2.gz VRXNZOQWNKLOHO-MRXNPFEDSA-N 2 2 337.414 2.411 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC001483703343 1190777330 /nfs/dbraw/zinc/77/73/30/1190777330.db2.gz VRXNZOQWNKLOHO-MRXNPFEDSA-N 2 2 337.414 2.411 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001272475279 1190840729 /nfs/dbraw/zinc/84/07/29/1190840729.db2.gz NZIXRSBOECXGAK-ZWKOTPCHSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1ccc(CCC[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001483779119 1191024009 /nfs/dbraw/zinc/02/40/09/1191024009.db2.gz OYGWIHICYAQBCA-UHFFFAOYSA-N 2 2 326.444 2.132 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001484052137 1191176627 /nfs/dbraw/zinc/17/66/27/1191176627.db2.gz FKISVEMYTKWFNJ-GOSISDBHSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001484052137 1191176630 /nfs/dbraw/zinc/17/66/30/1191176630.db2.gz FKISVEMYTKWFNJ-GOSISDBHSA-N 2 2 348.397 2.251 10 0 EEAELP CO[C@@H](C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001484053778 1191177546 /nfs/dbraw/zinc/17/75/46/1191177546.db2.gz HUDUBJRNYYYQGA-PKOBYXMFSA-N 2 2 348.491 2.059 10 0 EEAELP CO[C@@H](C[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001484053778 1191177548 /nfs/dbraw/zinc/17/75/48/1191177548.db2.gz HUDUBJRNYYYQGA-PKOBYXMFSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001484075079 1191198427 /nfs/dbraw/zinc/19/84/27/1191198427.db2.gz VMXXKGIIEOIOIA-LJQANCHMSA-N 2 2 337.427 2.145 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001484075079 1191198428 /nfs/dbraw/zinc/19/84/28/1191198428.db2.gz VMXXKGIIEOIOIA-LJQANCHMSA-N 2 2 337.427 2.145 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001484554824 1191412894 /nfs/dbraw/zinc/41/28/94/1191412894.db2.gz UVUMZGTYHBXTOT-HNNXBMFYSA-N 2 2 330.407 2.051 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001484999469 1191607702 /nfs/dbraw/zinc/60/77/02/1191607702.db2.gz RDZQNFYZRKKJLS-LBPRGKRZSA-N 2 2 333.436 2.057 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485255979 1191713264 /nfs/dbraw/zinc/71/32/64/1191713264.db2.gz VWGOVPDSBXUJEC-INIZCTEOSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCOC(C)C)CCCCC1 ZINC001485456632 1191792327 /nfs/dbraw/zinc/79/23/27/1191792327.db2.gz YZPCAGQHUMIZBS-UHFFFAOYSA-N 2 2 336.480 2.094 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001486371389 1193875702 /nfs/dbraw/zinc/87/57/02/1193875702.db2.gz BXAPDWFXCYQEDV-UHFFFAOYSA-N 2 2 347.463 2.111 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001486371389 1193875707 /nfs/dbraw/zinc/87/57/07/1193875707.db2.gz BXAPDWFXCYQEDV-UHFFFAOYSA-N 2 2 347.463 2.111 10 0 EEAELP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001486478084 1193992845 /nfs/dbraw/zinc/99/28/45/1193992845.db2.gz MZYIESHUZBKEEV-HPUBIQBYSA-N 2 2 341.459 2.071 10 0 EEAELP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001486478084 1193992849 /nfs/dbraw/zinc/99/28/49/1193992849.db2.gz MZYIESHUZBKEEV-HPUBIQBYSA-N 2 2 341.459 2.071 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC1(C2CC[NH+](CCCF)CC2)CC1 ZINC001486488865 1194000716 /nfs/dbraw/zinc/00/07/16/1194000716.db2.gz RBPPRJQBFGLDJM-UHFFFAOYSA-N 2 2 349.450 2.353 10 0 EEAELP COCCC[N@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001486507573 1194017779 /nfs/dbraw/zinc/01/77/79/1194017779.db2.gz VZLNPCVZUXZRMB-UHFFFAOYSA-N 2 2 342.443 2.041 10 0 EEAELP COCCC[N@@H+]1CC=C(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001486507573 1194017782 /nfs/dbraw/zinc/01/77/82/1194017782.db2.gz VZLNPCVZUXZRMB-UHFFFAOYSA-N 2 2 342.443 2.041 10 0 EEAELP O[C@@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000702645448 1196068520 /nfs/dbraw/zinc/06/85/20/1196068520.db2.gz XNYRQVXWNANWTR-IEBWSBKVSA-N 2 2 326.444 2.014 10 0 EEAELP O[C@@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000702645448 1196068523 /nfs/dbraw/zinc/06/85/23/1196068523.db2.gz XNYRQVXWNANWTR-IEBWSBKVSA-N 2 2 326.444 2.014 10 0 EEAELP Cc1cc(C)c(C[NH+]2CC([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)c(C)c1 ZINC001409980432 1196130492 /nfs/dbraw/zinc/13/04/92/1196130492.db2.gz VNDDFWUASMVAMW-QGZVFWFLSA-N 2 2 340.471 2.445 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)CCCn2cc[nH+]c2)s1 ZINC001410535088 1198090602 /nfs/dbraw/zinc/09/06/02/1198090602.db2.gz NANDHHWFBZHFCI-CYBMUJFWSA-N 2 2 335.477 2.065 10 0 EEAELP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cn(C3CC3)cn2)c2ccccc2)CC1 ZINC000865445030 1198221688 /nfs/dbraw/zinc/22/16/88/1198221688.db2.gz BSVMWFQFOIIKHQ-HXUWFJFHSA-N 2 2 339.487 2.296 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1scnc1C(F)F ZINC000865799225 1198380039 /nfs/dbraw/zinc/38/00/39/1198380039.db2.gz LTUSLLWVCZNGBK-UHFFFAOYSA-N 2 2 346.447 2.179 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1scnc1C(F)F ZINC000865799225 1198380045 /nfs/dbraw/zinc/38/00/45/1198380045.db2.gz LTUSLLWVCZNGBK-UHFFFAOYSA-N 2 2 346.447 2.179 10 0 EEAELP CC[C@H](C[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12)OC ZINC001410893365 1198548177 /nfs/dbraw/zinc/54/81/77/1198548177.db2.gz FFQRVKHUIWPPIG-LMMKCTJWSA-N 2 2 348.491 2.202 10 0 EEAELP CC[C@H](C[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12)OC ZINC001410893365 1198548180 /nfs/dbraw/zinc/54/81/80/1198548180.db2.gz FFQRVKHUIWPPIG-LMMKCTJWSA-N 2 2 348.491 2.202 10 0 EEAELP CO[C@H](C)C[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001411193794 1198889561 /nfs/dbraw/zinc/88/95/61/1198889561.db2.gz FCTBTEUMLFZKPD-CQSZACIVSA-N 2 2 332.448 2.380 10 0 EEAELP CO[C@H](C)C[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001411193794 1198889564 /nfs/dbraw/zinc/88/95/64/1198889564.db2.gz FCTBTEUMLFZKPD-CQSZACIVSA-N 2 2 332.448 2.380 10 0 EEAELP CC[NH+]1CCC(C2(NC(=O)Cc3cn4c([nH+]3)CCCC4)CC2)CC1 ZINC001411251927 1198975045 /nfs/dbraw/zinc/97/50/45/1198975045.db2.gz ONRBWUFRNAEXMK-UHFFFAOYSA-N 2 2 330.476 2.143 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000810135999 1199290649 /nfs/dbraw/zinc/29/06/49/1199290649.db2.gz AYGOFWDKWQADLF-LJQANCHMSA-N 2 2 348.466 2.379 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000810135999 1199290658 /nfs/dbraw/zinc/29/06/58/1199290658.db2.gz AYGOFWDKWQADLF-LJQANCHMSA-N 2 2 348.466 2.379 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ncccn1 ZINC001274413131 1205026323 /nfs/dbraw/zinc/02/63/23/1205026323.db2.gz KSYZBIUCPVSUOH-JEZUCGJFSA-N 2 2 345.491 2.064 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001275501115 1205387070 /nfs/dbraw/zinc/38/70/70/1205387070.db2.gz ADLPKKPXLCHGNH-STQMWFEESA-N 2 2 326.400 2.381 10 0 EEAELP CC1(C)CC2(CC([NH2+]C[C@@H](O)C[N@@H+]3CCc4ccccc4C3)C2)CO1 ZINC000924644769 1206010147 /nfs/dbraw/zinc/01/01/47/1206010147.db2.gz ZVQGVRRREKQXBR-OBXNSHGQSA-N 2 2 344.499 2.343 10 0 EEAELP CC1(C)CC2(CC([NH2+]C[C@@H](O)C[N@H+]3CCc4ccccc4C3)C2)CO1 ZINC000924644769 1206010150 /nfs/dbraw/zinc/01/01/50/1206010150.db2.gz ZVQGVRRREKQXBR-OBXNSHGQSA-N 2 2 344.499 2.343 10 0 EEAELP c1csc([C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)N2CCOCC2)c1 ZINC000925504498 1206120551 /nfs/dbraw/zinc/12/05/51/1206120551.db2.gz RYLCEIBDVMWBNI-WBVHZDCISA-N 2 2 335.517 2.386 10 0 EEAELP C[C@H](c1cccc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000926015744 1206182253 /nfs/dbraw/zinc/18/22/53/1206182253.db2.gz AAJPHRZHDDWQMD-INMHGKMJSA-N 2 2 346.475 2.057 10 0 EEAELP C[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982917 1206525149 /nfs/dbraw/zinc/52/51/49/1206525149.db2.gz RUAAQYSPRCVCOG-IHPCNDPISA-N 2 2 330.472 2.387 10 0 EEAELP C[N@@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982917 1206525151 /nfs/dbraw/zinc/52/51/51/1206525151.db2.gz RUAAQYSPRCVCOG-IHPCNDPISA-N 2 2 330.472 2.387 10 0 EEAELP Cc1cn2cc(NC(=O)N[C@@H]3CCC[N@@H+]4CCSC[C@@H]34)ccc2[nH+]1 ZINC000930136395 1206536912 /nfs/dbraw/zinc/53/69/12/1206536912.db2.gz GKXSRMPEFDUIQQ-CABCVRRESA-N 2 2 345.472 2.344 10 0 EEAELP Cc1cn2cc(NC(=O)N[C@@H]3CCC[N@H+]4CCSC[C@@H]34)ccc2[nH+]1 ZINC000930136395 1206536913 /nfs/dbraw/zinc/53/69/13/1206536913.db2.gz GKXSRMPEFDUIQQ-CABCVRRESA-N 2 2 345.472 2.344 10 0 EEAELP O[C@H](CCC1(O)CCC1)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706969 1207445150 /nfs/dbraw/zinc/44/51/50/1207445150.db2.gz LARYKUYDSUJVQD-MSOLQXFVSA-N 2 2 329.444 2.270 10 0 EEAELP c1n[nH]nc1CC[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547832 1207785396 /nfs/dbraw/zinc/78/53/96/1207785396.db2.gz OGMSNGRCEQYUML-UHFFFAOYSA-N 2 2 325.460 2.434 10 0 EEAELP CCOCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276313086 1215691318 /nfs/dbraw/zinc/69/13/18/1215691318.db2.gz XWXIKSKEKVPXOD-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CCOCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276313086 1215691321 /nfs/dbraw/zinc/69/13/21/1215691321.db2.gz XWXIKSKEKVPXOD-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CCOCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276313086 1215691325 /nfs/dbraw/zinc/69/13/25/1215691325.db2.gz XWXIKSKEKVPXOD-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CCOCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276313086 1215691327 /nfs/dbraw/zinc/69/13/27/1215691327.db2.gz XWXIKSKEKVPXOD-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796432018 1217582719 /nfs/dbraw/zinc/58/27/19/1217582719.db2.gz ZMTJXSDWQRIHIR-RBUKOAKNSA-N 2 2 329.488 2.275 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000796432018 1217582723 /nfs/dbraw/zinc/58/27/23/1217582723.db2.gz ZMTJXSDWQRIHIR-RBUKOAKNSA-N 2 2 329.488 2.275 10 0 EEAELP 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CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](C[C@H]([NH3+])CC(F)F)C1 ZINC000903908787 1242431742 /nfs/dbraw/zinc/43/17/42/1242431742.db2.gz PQGRQYOPPSLDQH-WDEREUQCSA-N 2 2 345.356 2.092 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001491062454 1258630771 /nfs/dbraw/zinc/63/07/71/1258630771.db2.gz IONPGFVFFIPTCR-VBNZEHGJSA-N 2 2 330.407 2.164 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001491062454 1258630780 /nfs/dbraw/zinc/63/07/80/1258630780.db2.gz IONPGFVFFIPTCR-VBNZEHGJSA-N 2 2 330.407 2.164 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C/Cl)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001491356395 1258989554 /nfs/dbraw/zinc/98/95/54/1258989554.db2.gz NAFDVDZLHXJIRJ-MAQVFJRRSA-N 2 2 336.867 2.215 10 0 EEAELP CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001491506813 1259157432 /nfs/dbraw/zinc/15/74/32/1259157432.db2.gz FOKGJTNKFSGZMF-QAPCUYQASA-N 2 2 340.471 2.302 10 0 EEAELP CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 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O=C(NCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1c(F)cccc1F ZINC000925394760 793934096 /nfs/dbraw/zinc/93/40/96/793934096.db2.gz BAZPSFVOMIBMMX-HOTGVXAUSA-N 2 2 337.414 2.301 10 0 EEAELP CC1([NH+]2CCC2)CCC(NC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000913915542 794554007 /nfs/dbraw/zinc/55/40/07/794554007.db2.gz GTOSFLFHZWZZOO-UHFFFAOYSA-N 2 2 331.464 2.200 10 0 EEAELP Cn1cncc1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000823708550 798759649 /nfs/dbraw/zinc/75/96/49/798759649.db2.gz OYFHCVSIFPGHFV-UHFFFAOYSA-N 2 2 338.358 2.093 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1csc(C2CC2)n1 ZINC001566439642 1125601559 /nfs/dbraw/zinc/60/15/59/1125601559.db2.gz DQMIUFOZXRBRMX-HNNXBMFYSA-N 2 2 336.505 2.053 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1csc(C2CC2)n1 ZINC001566439642 1125601561 /nfs/dbraw/zinc/60/15/61/1125601561.db2.gz DQMIUFOZXRBRMX-HNNXBMFYSA-N 2 2 336.505 2.053 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1csc(C2CC2)n1 ZINC001566439642 1125601564 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C[NH+](C)Cc1cnc(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)s1 ZINC000865715361 1126114962 /nfs/dbraw/zinc/11/49/62/1126114962.db2.gz QFXIDMLXHALGOQ-KRWDZBQOSA-N 2 2 337.464 2.427 10 0 EEAELP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cncc(F)c2)CCC1 ZINC001437029426 1088841975 /nfs/dbraw/zinc/84/19/75/1088841975.db2.gz AKAUTRBIHGCFJM-KRWDZBQOSA-N 2 2 348.466 2.176 10 0 EEAELP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cncc(F)c2)CCC1 ZINC001437029426 1088842004 /nfs/dbraw/zinc/84/20/04/1088842004.db2.gz AKAUTRBIHGCFJM-KRWDZBQOSA-N 2 2 348.466 2.176 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001437060854 1088969693 /nfs/dbraw/zinc/96/96/93/1088969693.db2.gz UJFUAVMBRZNCTM-SJLPKXTDSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001437060854 1088969712 /nfs/dbraw/zinc/96/97/12/1088969712.db2.gz UJFUAVMBRZNCTM-SJLPKXTDSA-N 2 2 341.459 2.003 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCc2ccccc21 ZINC001437596611 1090100673 /nfs/dbraw/zinc/10/06/73/1090100673.db2.gz DJEKPYNFLJQZIL-SFHVURJKSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@H]1CCc2ccccc21 ZINC001437596611 1090100676 /nfs/dbraw/zinc/10/06/76/1090100676.db2.gz DJEKPYNFLJQZIL-SFHVURJKSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCc2ccccc21 ZINC001437596611 1090100682 /nfs/dbraw/zinc/10/06/82/1090100682.db2.gz DJEKPYNFLJQZIL-SFHVURJKSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@H]1CCc2ccccc21 ZINC001437596611 1090100685 /nfs/dbraw/zinc/10/06/85/1090100685.db2.gz DJEKPYNFLJQZIL-SFHVURJKSA-N 2 2 326.444 2.468 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)CCn1cc[nH+]c1 ZINC001437833625 1090421157 /nfs/dbraw/zinc/42/11/57/1090421157.db2.gz CRFAVYLUEPVFHE-KRWDZBQOSA-N 2 2 348.397 2.287 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001438242609 1090722598 /nfs/dbraw/zinc/72/25/98/1090722598.db2.gz AMSGSZROMJIYFM-MRXNPFEDSA-N 2 2 332.473 2.147 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001438242609 1090722600 /nfs/dbraw/zinc/72/26/00/1090722600.db2.gz AMSGSZROMJIYFM-MRXNPFEDSA-N 2 2 332.473 2.147 10 0 EEAELP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1cnc(C)s1 ZINC001438321979 1090796434 /nfs/dbraw/zinc/79/64/34/1090796434.db2.gz XBUHNSHUIWIDCQ-AWEZNQCLSA-N 2 2 349.504 2.376 10 0 EEAELP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001438442542 1090944702 /nfs/dbraw/zinc/94/47/02/1090944702.db2.gz LFVAFOOGBHNBFK-RFBLXINOSA-N 2 2 336.455 2.289 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445397767 1091143580 /nfs/dbraw/zinc/14/35/80/1091143580.db2.gz MLKUQJCXFHDKEO-QAPCUYQASA-N 2 2 340.471 2.302 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1F ZINC001445568313 1091345444 /nfs/dbraw/zinc/34/54/44/1091345444.db2.gz FMXMTYHIZKKEMZ-GOEBONIOSA-N 2 2 344.434 2.188 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001438847091 1091485875 /nfs/dbraw/zinc/48/58/75/1091485875.db2.gz IHCFKLDOLNNSQO-MRXNPFEDSA-N 2 2 336.386 2.092 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC001445778940 1091645395 /nfs/dbraw/zinc/64/53/95/1091645395.db2.gz FBQGLBBNBCIUPG-IKGGRYGDSA-N 2 2 349.523 2.131 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC001445778940 1091645399 /nfs/dbraw/zinc/64/53/99/1091645399.db2.gz FBQGLBBNBCIUPG-IKGGRYGDSA-N 2 2 349.523 2.131 10 0 EEAELP CC(C)n1ccc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001445778940 1091645403 /nfs/dbraw/zinc/64/54/03/1091645403.db2.gz FBQGLBBNBCIUPG-IKGGRYGDSA-N 2 2 349.523 2.131 10 0 EEAELP CC(C)n1ccc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001445778940 1091645408 /nfs/dbraw/zinc/64/54/08/1091645408.db2.gz FBQGLBBNBCIUPG-IKGGRYGDSA-N 2 2 349.523 2.131 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1 ZINC001445816347 1091694594 /nfs/dbraw/zinc/69/45/94/1091694594.db2.gz KIPWVCVZWDNKII-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1 ZINC001445816347 1091694597 /nfs/dbraw/zinc/69/45/97/1091694597.db2.gz KIPWVCVZWDNKII-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1 ZINC001445816347 1091694602 /nfs/dbraw/zinc/69/46/02/1091694602.db2.gz KIPWVCVZWDNKII-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1 ZINC001445816347 1091694607 /nfs/dbraw/zinc/69/46/07/1091694607.db2.gz KIPWVCVZWDNKII-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445831703 1091722521 /nfs/dbraw/zinc/72/25/21/1091722521.db2.gz UVJGJVHNPYMJKT-FVQBIDKESA-N 2 2 332.492 2.396 10 0 EEAELP C[C@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445831703 1091722529 /nfs/dbraw/zinc/72/25/29/1091722529.db2.gz UVJGJVHNPYMJKT-FVQBIDKESA-N 2 2 332.492 2.396 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445859710 1091778760 /nfs/dbraw/zinc/77/87/60/1091778760.db2.gz YDZHGTGOZODPMG-LSDHHAIUSA-N 2 2 344.459 2.169 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445859710 1091778769 /nfs/dbraw/zinc/77/87/69/1091778769.db2.gz YDZHGTGOZODPMG-LSDHHAIUSA-N 2 2 344.459 2.169 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ncc(-c2ccccc2)o1)NC(=O)CC[NH+](C)C ZINC001439360820 1092079260 /nfs/dbraw/zinc/07/92/60/1092079260.db2.gz GGOXJIZJOGUDIO-OAHLLOKOSA-N 2 2 344.459 2.230 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ncc(-c2ccccc2)o1)NC(=O)CC[NH+](C)C ZINC001439360820 1092079270 /nfs/dbraw/zinc/07/92/70/1092079270.db2.gz GGOXJIZJOGUDIO-OAHLLOKOSA-N 2 2 344.459 2.230 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC001446128144 1092174499 /nfs/dbraw/zinc/17/44/99/1092174499.db2.gz YMMWXZCVOGSCIN-OAHLLOKOSA-N 2 2 334.370 2.211 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC001446128144 1092174504 /nfs/dbraw/zinc/17/45/04/1092174504.db2.gz YMMWXZCVOGSCIN-OAHLLOKOSA-N 2 2 334.370 2.211 10 0 EEAELP CC(C)OCC[N@@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001448394083 1093393079 /nfs/dbraw/zinc/39/30/79/1093393079.db2.gz OZLAFPIETMAPRJ-QGZVFWFLSA-N 2 2 344.459 2.428 10 0 EEAELP CC(C)OCC[N@H+]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001448394083 1093393089 /nfs/dbraw/zinc/39/30/89/1093393089.db2.gz OZLAFPIETMAPRJ-QGZVFWFLSA-N 2 2 344.459 2.428 10 0 EEAELP Cc1ncoc1C[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001440407202 1093595875 /nfs/dbraw/zinc/59/58/75/1093595875.db2.gz RNJKUBWAIFZJTI-GDBMZVCRSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1ncoc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001440407202 1093595880 /nfs/dbraw/zinc/59/58/80/1093595880.db2.gz RNJKUBWAIFZJTI-GDBMZVCRSA-N 2 2 345.447 2.302 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C2CC2)no1)n1cc[nH+]c1 ZINC001448731993 1093803660 /nfs/dbraw/zinc/80/36/60/1093803660.db2.gz MAVBDDFLXDJCIB-UONOGXRCSA-N 2 2 345.447 2.336 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2)s1 ZINC001440853928 1094113627 /nfs/dbraw/zinc/11/36/27/1094113627.db2.gz QXBHBFKHYPRHAO-KBPBESRZSA-N 2 2 335.477 2.111 10 0 EEAELP Cc1cc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001440857243 1094117781 /nfs/dbraw/zinc/11/77/81/1094117781.db2.gz XKIFVZWIKCOGMG-IRXDYDNUSA-N 2 2 328.460 2.491 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC001449310940 1094264448 /nfs/dbraw/zinc/26/44/48/1094264448.db2.gz ARHIDOJBQGOJNN-OAHLLOKOSA-N 2 2 349.504 2.277 10 0 EEAELP CO[C@H](C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C1CCC1 ZINC001449399590 1094379337 /nfs/dbraw/zinc/37/93/37/1094379337.db2.gz IBKHRLFFMCEAGV-UYSNPLJNSA-N 2 2 348.491 2.081 10 0 EEAELP Cc1csc(C[NH2+][C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)n1 ZINC001441234172 1094617251 /nfs/dbraw/zinc/61/72/51/1094617251.db2.gz MSZAJJOARMNXRT-UKRRQHHQSA-N 2 2 347.488 2.284 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC(C)(C)C1 ZINC001441550699 1095279487 /nfs/dbraw/zinc/27/94/87/1095279487.db2.gz DMVYJYWCKPEMEA-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001441866434 1095975673 /nfs/dbraw/zinc/97/56/73/1095975673.db2.gz GQCNNMATOLPKSB-SJORKVTESA-N 2 2 340.471 2.357 10 0 EEAELP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)Cn3cc[nH+]c3)CC2)s1 ZINC001442221374 1096516851 /nfs/dbraw/zinc/51/68/51/1096516851.db2.gz UVESEUPCIRGSOJ-CYBMUJFWSA-N 2 2 347.488 2.065 10 0 EEAELP C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2nccs2)C1)n1cc[nH+]c1 ZINC001442259155 1096562144 /nfs/dbraw/zinc/56/21/44/1096562144.db2.gz ZLLWIMQXFYZVJQ-IYXRBSQSSA-N 2 2 333.461 2.070 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443352713 1097877082 /nfs/dbraw/zinc/87/70/82/1097877082.db2.gz TUYZXYRXHYHWJQ-DLBZAZTESA-N 2 2 336.480 2.040 10 0 EEAELP CC(C)OCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443352713 1097877094 /nfs/dbraw/zinc/87/70/94/1097877094.db2.gz TUYZXYRXHYHWJQ-DLBZAZTESA-N 2 2 336.480 2.040 10 0 EEAELP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1nc(C)cs1 ZINC001443940986 1098460682 /nfs/dbraw/zinc/46/06/82/1098460682.db2.gz JSZBNDUAVWWPGE-CQSZACIVSA-N 2 2 349.504 2.376 10 0 EEAELP COCCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001479692708 1098757709 /nfs/dbraw/zinc/75/77/09/1098757709.db2.gz PQQNAODWJZTGBJ-DLBZAZTESA-N 2 2 336.480 2.232 10 0 EEAELP CCC[NH2+]Cc1nc2c(s1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001479742325 1098866195 /nfs/dbraw/zinc/86/61/95/1098866195.db2.gz ZFNWOHWXRWAHPP-ZDUSSCGKSA-N 2 2 347.488 2.375 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ncc(Cl)s1 ZINC001479777909 1098960649 /nfs/dbraw/zinc/96/06/49/1098960649.db2.gz GXIREOHTTMBYBK-GFCCVEGCSA-N 2 2 344.912 2.219 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ncc(Cl)s1 ZINC001479777909 1098960654 /nfs/dbraw/zinc/96/06/54/1098960654.db2.gz GXIREOHTTMBYBK-GFCCVEGCSA-N 2 2 344.912 2.219 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)Cc1ncc(Cl)s1 ZINC001479777909 1098960659 /nfs/dbraw/zinc/96/06/59/1098960659.db2.gz GXIREOHTTMBYBK-GFCCVEGCSA-N 2 2 344.912 2.219 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1ncc(Cl)s1 ZINC001479777909 1098960666 /nfs/dbraw/zinc/96/06/66/1098960666.db2.gz GXIREOHTTMBYBK-GFCCVEGCSA-N 2 2 344.912 2.219 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001479780623 1098966846 /nfs/dbraw/zinc/96/68/46/1098966846.db2.gz AXORDMPYXWNPOH-OAHLLOKOSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001479780623 1098966851 /nfs/dbraw/zinc/96/68/51/1098966851.db2.gz AXORDMPYXWNPOH-OAHLLOKOSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1nccs1 ZINC001479780623 1098966862 /nfs/dbraw/zinc/96/68/62/1098966862.db2.gz AXORDMPYXWNPOH-OAHLLOKOSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC001479780623 1098966872 /nfs/dbraw/zinc/96/68/72/1098966872.db2.gz AXORDMPYXWNPOH-OAHLLOKOSA-N 2 2 338.521 2.202 10 0 EEAELP Cc1ncsc1C[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001480049441 1099556448 /nfs/dbraw/zinc/55/64/48/1099556448.db2.gz BXQOJZXJOLGJKX-WFASDCNBSA-N 2 2 347.488 2.284 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC001480071006 1099608329 /nfs/dbraw/zinc/60/83/29/1099608329.db2.gz ZHSSROGBQUGALS-LJQANCHMSA-N 2 2 338.455 2.445 10 0 EEAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC001444782662 1099688733 /nfs/dbraw/zinc/68/87/33/1099688733.db2.gz FYOURLXGCVNTJL-KRWUTGMMSA-N 2 2 338.455 2.423 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCOC(C)C ZINC001480182896 1099770024 /nfs/dbraw/zinc/77/00/24/1099770024.db2.gz HXCFIOKZBLUJSO-ALOPSCKCSA-N 2 2 348.491 2.187 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOC(C)C ZINC001480182896 1099770027 /nfs/dbraw/zinc/77/00/27/1099770027.db2.gz HXCFIOKZBLUJSO-ALOPSCKCSA-N 2 2 348.491 2.187 10 0 EEAELP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001480489134 1100299343 /nfs/dbraw/zinc/29/93/43/1100299343.db2.gz DEUYVGZEPZJDSF-YJBOKZPZSA-N 2 2 340.471 2.302 10 0 EEAELP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1C[NH+](CCc2ccc(C)cc2)C1 ZINC001446371742 1100742703 /nfs/dbraw/zinc/74/27/03/1100742703.db2.gz AEHMSBLMKBZLOE-LJQANCHMSA-N 2 2 349.494 2.360 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001446398427 1100791162 /nfs/dbraw/zinc/79/11/62/1100791162.db2.gz OHODYVODRPAHCA-LJQANCHMSA-N 2 2 338.455 2.183 10 0 EEAELP CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001496280535 1100862174 /nfs/dbraw/zinc/86/21/74/1100862174.db2.gz RRCBUENEXUCPOY-IRXDYDNUSA-N 2 2 332.492 2.366 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001496389915 1100982713 /nfs/dbraw/zinc/98/27/13/1100982713.db2.gz MAKISCXNSRPKMV-OALUTQOASA-N 2 2 349.519 2.178 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001496389915 1100982718 /nfs/dbraw/zinc/98/27/18/1100982718.db2.gz MAKISCXNSRPKMV-OALUTQOASA-N 2 2 349.519 2.178 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001495388524 1101107870 /nfs/dbraw/zinc/10/78/70/1101107870.db2.gz QYKMPWHKLLHXPJ-GFCCVEGCSA-N 2 2 345.274 2.490 10 0 EEAELP CC1(CNC(=O)Cn2cc[nH+]c2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001446679386 1101226489 /nfs/dbraw/zinc/22/64/89/1101226489.db2.gz XQCTXRKEHIHTBR-UHFFFAOYSA-N 2 2 344.434 2.441 10 0 EEAELP Cc1nc(C[NH+]2CCC(CCNC(=O)Cn3cc[nH+]c3)CC2)cs1 ZINC001495539424 1101254504 /nfs/dbraw/zinc/25/45/04/1101254504.db2.gz XHBNRXFNGBEKDU-UHFFFAOYSA-N 2 2 347.488 2.067 10 0 EEAELP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001496064693 1102000239 /nfs/dbraw/zinc/00/02/39/1102000239.db2.gz TZLVXYJATHQOBW-OAHLLOKOSA-N 2 2 332.492 2.389 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CCc2[nH+]ccn2C)cc1F ZINC001497232145 1102165035 /nfs/dbraw/zinc/16/50/35/1102165035.db2.gz CMBNMLLWKGMNDE-HNNXBMFYSA-N 2 2 346.450 2.485 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)CC2)o1 ZINC001447309111 1102420783 /nfs/dbraw/zinc/42/07/83/1102420783.db2.gz SSONHRWOYTYXRZ-GDBMZVCRSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)CC2)o1 ZINC001447309111 1102420786 /nfs/dbraw/zinc/42/07/86/1102420786.db2.gz SSONHRWOYTYXRZ-GDBMZVCRSA-N 2 2 345.447 2.302 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001497835518 1103168361 /nfs/dbraw/zinc/16/83/61/1103168361.db2.gz CBKTWYFSQYHIGW-CQSZACIVSA-N 2 2 345.418 2.375 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497840558 1103175996 /nfs/dbraw/zinc/17/59/96/1103175996.db2.gz KHEOLUVUJHVUDV-WBVHZDCISA-N 2 2 340.471 2.302 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001448079471 1103955702 /nfs/dbraw/zinc/95/57/02/1103955702.db2.gz ASZVRRXIMWUJBC-OAHLLOKOSA-N 2 2 344.459 2.230 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC001448079471 1103955707 /nfs/dbraw/zinc/95/57/07/1103955707.db2.gz ASZVRRXIMWUJBC-OAHLLOKOSA-N 2 2 344.459 2.230 10 0 EEAELP Cc1nc(C[NH+]2CCCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)co1 ZINC001448265987 1104280547 /nfs/dbraw/zinc/28/05/47/1104280547.db2.gz ZBMJGVHOEKIWQC-QGZVFWFLSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1nc(C[NH+]2CCCCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)co1 ZINC001448265987 1104280558 /nfs/dbraw/zinc/28/05/58/1104280558.db2.gz ZBMJGVHOEKIWQC-QGZVFWFLSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1nc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)co1 ZINC001448265987 1104280572 /nfs/dbraw/zinc/28/05/72/1104280572.db2.gz ZBMJGVHOEKIWQC-QGZVFWFLSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(F)cc1 ZINC001495010660 1104653594 /nfs/dbraw/zinc/65/35/94/1104653594.db2.gz CFSDLNZHNTZXSF-DOTOQJQBSA-N 2 2 344.434 2.269 10 0 EEAELP CCc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001498053408 1106846248 /nfs/dbraw/zinc/84/62/48/1106846248.db2.gz LXCBXMNLHCSSQY-YOEHRIQHSA-N 2 2 348.491 2.238 10 0 EEAELP CCc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001498053408 1106846258 /nfs/dbraw/zinc/84/62/58/1106846258.db2.gz LXCBXMNLHCSSQY-YOEHRIQHSA-N 2 2 348.491 2.238 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001498062403 1106868147 /nfs/dbraw/zinc/86/81/47/1106868147.db2.gz GYIXEKQOEGWZSP-GXTWGEPZSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]c[nH+]c2C)on1 ZINC001480833400 1107230818 /nfs/dbraw/zinc/23/08/18/1107230818.db2.gz ARBSMBFRNXNUJQ-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]c[nH+]c2C)on1 ZINC001480833400 1107230824 /nfs/dbraw/zinc/23/08/24/1107230824.db2.gz ARBSMBFRNXNUJQ-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498324553 1107294305 /nfs/dbraw/zinc/29/43/05/1107294305.db2.gz SUJQFBIEGNIELB-DZGCQCFKSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498324553 1107294313 /nfs/dbraw/zinc/29/43/13/1107294313.db2.gz SUJQFBIEGNIELB-DZGCQCFKSA-N 2 2 332.473 2.144 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001493161324 1107617225 /nfs/dbraw/zinc/61/72/25/1107617225.db2.gz MUDMIBDOFJMKOM-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001493161324 1107617228 /nfs/dbraw/zinc/61/72/28/1107617228.db2.gz MUDMIBDOFJMKOM-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001493161324 1107617237 /nfs/dbraw/zinc/61/72/37/1107617237.db2.gz MUDMIBDOFJMKOM-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001493161324 1107617242 /nfs/dbraw/zinc/61/72/42/1107617242.db2.gz MUDMIBDOFJMKOM-HNNXBMFYSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001498588452 1107767937 /nfs/dbraw/zinc/76/79/37/1107767937.db2.gz UBQUSWOLWCRECT-CABCVRRESA-N 2 2 344.459 2.430 10 0 EEAELP Cc1ncoc1C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001493430841 1108144578 /nfs/dbraw/zinc/14/45/78/1108144578.db2.gz VLCQCVVLYXXHQT-SJORKVTESA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001493430841 1108144581 /nfs/dbraw/zinc/14/45/81/1108144581.db2.gz VLCQCVVLYXXHQT-SJORKVTESA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001493430841 1108144583 /nfs/dbraw/zinc/14/45/83/1108144583.db2.gz VLCQCVVLYXXHQT-SJORKVTESA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001493430841 1108144587 /nfs/dbraw/zinc/14/45/87/1108144587.db2.gz VLCQCVVLYXXHQT-SJORKVTESA-N 2 2 346.475 2.081 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H]1CCCCO1 ZINC001493861022 1108752580 /nfs/dbraw/zinc/75/25/80/1108752580.db2.gz YGLXJZGGJPYKHZ-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H]1CCCCO1 ZINC001493861022 1108752592 /nfs/dbraw/zinc/75/25/92/1108752592.db2.gz YGLXJZGGJPYKHZ-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H]1CCCCO1 ZINC001493861022 1108752598 /nfs/dbraw/zinc/75/25/98/1108752598.db2.gz YGLXJZGGJPYKHZ-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H]1CCCCO1 ZINC001493861022 1108752608 /nfs/dbraw/zinc/75/26/08/1108752608.db2.gz YGLXJZGGJPYKHZ-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)C[NH+]1CCC(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC001463942690 1110383989 /nfs/dbraw/zinc/38/39/89/1110383989.db2.gz OKQHHAZDTHVZON-UHFFFAOYSA-N 2 2 332.492 2.246 10 0 EEAELP CC(C)CNC(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001473842647 1110582425 /nfs/dbraw/zinc/58/24/25/1110582425.db2.gz UNHMOEBXACVIOK-QUCCMNQESA-N 2 2 329.488 2.456 10 0 EEAELP CC(C)CNC(=O)c1cccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)c1 ZINC001473842647 1110582426 /nfs/dbraw/zinc/58/24/26/1110582426.db2.gz UNHMOEBXACVIOK-QUCCMNQESA-N 2 2 329.488 2.456 10 0 EEAELP CC(C)CNC(=O)c1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC001473842647 1110582427 /nfs/dbraw/zinc/58/24/27/1110582427.db2.gz UNHMOEBXACVIOK-QUCCMNQESA-N 2 2 329.488 2.456 10 0 EEAELP CC(C)CNC(=O)c1cccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c1 ZINC001473842647 1110582428 /nfs/dbraw/zinc/58/24/28/1110582428.db2.gz UNHMOEBXACVIOK-QUCCMNQESA-N 2 2 329.488 2.456 10 0 EEAELP CCCCC[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CC1 ZINC001499325161 1112233831 /nfs/dbraw/zinc/23/38/31/1112233831.db2.gz VKYOWQRQSVELFE-QGZVFWFLSA-N 2 2 337.508 2.058 10 0 EEAELP CCCCC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CC1 ZINC001499325161 1112233835 /nfs/dbraw/zinc/23/38/35/1112233835.db2.gz VKYOWQRQSVELFE-QGZVFWFLSA-N 2 2 337.508 2.058 10 0 EEAELP C[C@@H](CC(=O)NCC1([NH2+]Cc2ccnc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001499365219 1112253905 /nfs/dbraw/zinc/25/39/05/1112253905.db2.gz SXAQIJQMOFGJCY-ZDUSSCGKSA-N 2 2 347.850 2.321 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)C1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001499713584 1112454717 /nfs/dbraw/zinc/45/47/17/1112454717.db2.gz BTDOTFZXZDJYPI-CQSZACIVSA-N 2 2 340.418 2.241 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001499945875 1112551297 /nfs/dbraw/zinc/55/12/97/1112551297.db2.gz QADLUWVTYQOETR-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001501631989 1113407259 /nfs/dbraw/zinc/40/72/59/1113407259.db2.gz ISPDFPURMQJVAM-OAHLLOKOSA-N 2 2 330.476 2.361 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2F)C1 ZINC001501654859 1113416891 /nfs/dbraw/zinc/41/68/91/1113416891.db2.gz ICTCMOYIAMLSKG-CQSZACIVSA-N 2 2 348.397 2.190 10 0 EEAELP Cc1ncccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCC1 ZINC001501964076 1113539825 /nfs/dbraw/zinc/53/98/25/1113539825.db2.gz DHYBXGDPCIDWSF-HZPDHXFCSA-N 2 2 339.443 2.045 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc3coc(C)n3)ccn12 ZINC001505607053 1114081796 /nfs/dbraw/zinc/08/17/96/1114081796.db2.gz ZMNMAKZNLWQFPY-STQMWFEESA-N 2 2 341.415 2.236 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001505621094 1114089568 /nfs/dbraw/zinc/08/95/68/1114089568.db2.gz CLUGSIPUSKGGRB-UONOGXRCSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001505621094 1114089569 /nfs/dbraw/zinc/08/95/69/1114089569.db2.gz CLUGSIPUSKGGRB-UONOGXRCSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661710 1114116075 /nfs/dbraw/zinc/11/60/75/1114116075.db2.gz YZPRKNDUILKNNK-CABCVRRESA-N 2 2 346.450 2.483 10 0 EEAELP C[C@@H](CC(=O)N(C)C1CCC([NH2+]Cc2ccon2)CC1)n1cc[nH+]c1 ZINC001505786477 1114192179 /nfs/dbraw/zinc/19/21/79/1114192179.db2.gz ZMGGBWFOPGDRLE-UQPPLGOBSA-N 2 2 345.447 2.382 10 0 EEAELP CN(CC(C)(C)C[NH2+]CC1CC(C)(C)C1)C(=O)Cc1c[nH+]cn1C ZINC001505845684 1114229527 /nfs/dbraw/zinc/22/95/27/1114229527.db2.gz XAGBKZVMVXEHPL-UHFFFAOYSA-N 2 2 334.508 2.473 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCc2[nH+]ccn2C)c(C)n1 ZINC001507109177 1115113173 /nfs/dbraw/zinc/11/31/73/1115113173.db2.gz VEGXXWMKMVQUOP-HNNXBMFYSA-N 2 2 343.475 2.001 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001507674570 1115318374 /nfs/dbraw/zinc/31/83/74/1115318374.db2.gz GBJJQEQAOZXKPN-QGZVFWFLSA-N 2 2 335.492 2.418 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@H](O)C[N@H+](C)CCC(C)C)c(C)[nH+]1 ZINC001507674570 1115318376 /nfs/dbraw/zinc/31/83/76/1115318376.db2.gz GBJJQEQAOZXKPN-QGZVFWFLSA-N 2 2 335.492 2.418 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001508026246 1115392136 /nfs/dbraw/zinc/39/21/36/1115392136.db2.gz CYDJDCUFYDUUQL-NSHDSACASA-N 2 2 333.263 2.392 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC=CC34CCCCC4)C2)CC1 ZINC001520812333 1119195520 /nfs/dbraw/zinc/19/55/20/1119195520.db2.gz AVXQNCPGFIHFQW-KRWDZBQOSA-N 2 2 346.519 2.439 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC=CC34CCCCC4)C2)CC1 ZINC001520812333 1119195522 /nfs/dbraw/zinc/19/55/22/1119195522.db2.gz AVXQNCPGFIHFQW-KRWDZBQOSA-N 2 2 346.519 2.439 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001568312696 1124416200 /nfs/dbraw/zinc/41/62/00/1124416200.db2.gz PWUWXWDLEAXZPC-AWEZNQCLSA-N 2 2 339.443 2.081 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H](C[NH2+]CCC1CC1)C1CCCCC1 ZINC001568349512 1124431332 /nfs/dbraw/zinc/43/13/32/1124431332.db2.gz XRZWBDAMKGEVAE-SFHVURJKSA-N 2 2 332.492 2.417 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001568650308 1124661121 /nfs/dbraw/zinc/66/11/21/1124661121.db2.gz WCUUYSHHBQQSRD-GJZGRUSLSA-N 2 2 344.434 2.269 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568679009 1124690396 /nfs/dbraw/zinc/69/03/96/1124690396.db2.gz CYTZTGAYETYGOQ-KBRIMQKVSA-N 2 2 344.434 2.347 10 0 EEAELP C[C@@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC001568973015 1125012066 /nfs/dbraw/zinc/01/20/66/1125012066.db2.gz FKLKILGOEPBSPD-YWVDXFKGSA-N 2 2 334.370 2.185 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]C[C@H]2CCCOC2)c(C)[nH+]1 ZINC001569224747 1125178176 /nfs/dbraw/zinc/17/81/76/1125178176.db2.gz WSMPCIXGGMKYDC-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP COC1CC[NH+](CCNc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000080250739 539346862 /nfs/dbraw/zinc/34/68/62/539346862.db2.gz WXMCZMJJFSQAGK-UHFFFAOYSA-N 2 2 327.432 2.370 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000155307771 539488889 /nfs/dbraw/zinc/48/88/89/539488889.db2.gz NKXALMGUBNLCDK-IEBWSBKVSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000155307771 539488894 /nfs/dbraw/zinc/48/88/94/539488894.db2.gz NKXALMGUBNLCDK-IEBWSBKVSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1c[nH+]ccc1N ZINC000422697925 240180705 /nfs/dbraw/zinc/18/07/05/240180705.db2.gz WWOXBDRBJAJYEB-HNNXBMFYSA-N 3 2 326.444 2.177 10 0 EEAELP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1c[nH+]ccc1N ZINC000422697925 240180707 /nfs/dbraw/zinc/18/07/07/240180707.db2.gz WWOXBDRBJAJYEB-HNNXBMFYSA-N 2 2 326.444 2.177 10 0 EEAELP CCOCCOc1cc(C)ccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422860682 240264093 /nfs/dbraw/zinc/26/40/93/240264093.db2.gz IPQKNBAGWKCRKE-WOJBJXKFSA-N 2 2 348.487 2.267 10 0 EEAELP C[C@@]1(F)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000451120712 243005772 /nfs/dbraw/zinc/00/57/72/243005772.db2.gz LGZNTSPEWWSEBH-LJQANCHMSA-N 2 2 333.451 2.155 10 0 EEAELP C[C@@]1(F)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000451120712 243005778 /nfs/dbraw/zinc/00/57/78/243005778.db2.gz LGZNTSPEWWSEBH-LJQANCHMSA-N 2 2 333.451 2.155 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC(C)(C)CO ZINC000451259905 243053640 /nfs/dbraw/zinc/05/36/40/243053640.db2.gz YPBPGRXYAGTVRE-ZDUSSCGKSA-N 2 2 330.432 2.354 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC(C)(C)CO ZINC000451259905 243053646 /nfs/dbraw/zinc/05/36/46/243053646.db2.gz YPBPGRXYAGTVRE-ZDUSSCGKSA-N 2 2 330.432 2.354 10 0 EEAELP COC(=O)[C@@H](C1CC1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459490404 245140891 /nfs/dbraw/zinc/14/08/91/245140891.db2.gz YEEXRUZMTOLCTM-GOSISDBHSA-N 2 2 325.412 2.308 10 0 EEAELP COC(=O)c1ccc([C@@H](C)[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000111231135 220116916 /nfs/dbraw/zinc/11/69/16/220116916.db2.gz TYWZWTARJWIRGZ-HZPDHXFCSA-N 2 2 349.475 2.229 10 0 EEAELP COC(=O)c1ccc([C@@H](C)[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000111231135 220116920 /nfs/dbraw/zinc/11/69/20/220116920.db2.gz TYWZWTARJWIRGZ-HZPDHXFCSA-N 2 2 349.475 2.229 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3c(C)csc3n2)[C@H](C)C1 ZINC000081096086 217362217 /nfs/dbraw/zinc/36/22/17/217362217.db2.gz YWUWVBOGXAWOJI-DOMZBBRYSA-N 2 2 334.489 2.227 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3c(C)csc3n2)[C@H](C)C1 ZINC000081096086 217362220 /nfs/dbraw/zinc/36/22/20/217362220.db2.gz YWUWVBOGXAWOJI-DOMZBBRYSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)n3c(C)csc3n2)[C@H](C)C1 ZINC000081096086 217362223 /nfs/dbraw/zinc/36/22/23/217362223.db2.gz YWUWVBOGXAWOJI-DOMZBBRYSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)n3c(C)csc3n2)[C@H](C)C1 ZINC000081096086 217362226 /nfs/dbraw/zinc/36/22/26/217362226.db2.gz YWUWVBOGXAWOJI-DOMZBBRYSA-N 2 2 334.489 2.227 10 0 EEAELP Cc1ccn2cc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[nH+]c2c1 ZINC000266486387 248325951 /nfs/dbraw/zinc/32/59/51/248325951.db2.gz IPXKCCQWFFWBIG-ZXFUBFMLSA-N 2 2 341.459 2.457 10 0 EEAELP Cc1ccn2cc(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[nH+]c2c1 ZINC000266486387 248325952 /nfs/dbraw/zinc/32/59/52/248325952.db2.gz IPXKCCQWFFWBIG-ZXFUBFMLSA-N 2 2 341.459 2.457 10 0 EEAELP Brc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cs1 ZINC000422866302 532960210 /nfs/dbraw/zinc/96/02/10/532960210.db2.gz QCSXDIDCINRVEI-WCQYABFASA-N 2 2 331.279 2.367 10 0 EEAELP Brc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422775882 532972900 /nfs/dbraw/zinc/97/29/00/532972900.db2.gz BQHUUOTXIRLYAX-GJZGRUSLSA-N 2 2 325.250 2.306 10 0 EEAELP C[NH+](C)CC[C@H](NC(=O)c1cc(-n2cc[nH+]c2)ccn1)C(C)(C)C ZINC000271308149 256231871 /nfs/dbraw/zinc/23/18/71/256231871.db2.gz KTWHUBXHTCWKNP-INIZCTEOSA-N 2 2 329.448 2.364 10 0 EEAELP COCc1noc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000299742717 258009399 /nfs/dbraw/zinc/00/93/99/258009399.db2.gz IPXRLEHBKJZFRX-CYBMUJFWSA-N 2 2 331.420 2.047 10 0 EEAELP COCc1noc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000299742717 258009401 /nfs/dbraw/zinc/00/94/01/258009401.db2.gz IPXRLEHBKJZFRX-CYBMUJFWSA-N 2 2 331.420 2.047 10 0 EEAELP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110981533 142349858 /nfs/dbraw/zinc/34/98/58/142349858.db2.gz OPLICLWVDPFUEE-AWEZNQCLSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](CC)CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110981533 142349864 /nfs/dbraw/zinc/34/98/64/142349864.db2.gz OPLICLWVDPFUEE-AWEZNQCLSA-N 2 2 339.430 2.387 10 0 EEAELP FC(F)n1ccnc1CN1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000125314722 292295799 /nfs/dbraw/zinc/29/57/99/292295799.db2.gz JKPRFQLUMIHJRV-UHFFFAOYSA-N 2 2 341.450 2.272 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374199912 154002469 /nfs/dbraw/zinc/00/24/69/154002469.db2.gz MQDGFDRQEGFEFT-UHFFFAOYSA-N 2 2 342.443 2.304 10 0 EEAELP CCCCc1noc([C@@H](C)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000126479643 292311816 /nfs/dbraw/zinc/31/18/16/292311816.db2.gz WKARCHYEMLDPDS-OAHLLOKOSA-N 2 2 337.512 2.431 10 0 EEAELP CCCCc1noc([C@@H](C)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000126479643 292311819 /nfs/dbraw/zinc/31/18/19/292311819.db2.gz WKARCHYEMLDPDS-OAHLLOKOSA-N 2 2 337.512 2.431 10 0 EEAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263309638 160455521 /nfs/dbraw/zinc/45/55/21/160455521.db2.gz YJLVSBIGUGMPHG-HNNXBMFYSA-N 2 2 325.403 2.094 10 0 EEAELP CCn1nc(C)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000093147277 159231080 /nfs/dbraw/zinc/23/10/80/159231080.db2.gz BQZBECMSJITQHZ-SFHVURJKSA-N 2 2 333.524 2.122 10 0 EEAELP CCn1nc(C)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1C ZINC000093147277 159231082 /nfs/dbraw/zinc/23/10/82/159231082.db2.gz BQZBECMSJITQHZ-SFHVURJKSA-N 2 2 333.524 2.122 10 0 EEAELP CC(C)c1nc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)cc[nH+]1 ZINC000110581247 159360703 /nfs/dbraw/zinc/36/07/03/159360703.db2.gz VMLDCMCFJPNATK-UHFFFAOYSA-N 2 2 340.475 2.383 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000119119344 159371488 /nfs/dbraw/zinc/37/14/88/159371488.db2.gz BVMKFACRUHOMPQ-CVEARBPZSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000119119344 159371490 /nfs/dbraw/zinc/37/14/90/159371490.db2.gz BVMKFACRUHOMPQ-CVEARBPZSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186528815 160073797 /nfs/dbraw/zinc/07/37/97/160073797.db2.gz QLRHCGHULWQTAV-KRWDZBQOSA-N 2 2 347.507 2.280 10 0 EEAELP CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000190505370 160161732 /nfs/dbraw/zinc/16/17/32/160161732.db2.gz PCPKTJACYZONJW-INIZCTEOSA-N 2 2 336.480 2.011 10 0 EEAELP CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000190505370 160161734 /nfs/dbraw/zinc/16/17/34/160161734.db2.gz PCPKTJACYZONJW-INIZCTEOSA-N 2 2 336.480 2.011 10 0 EEAELP Cc1ccc([C@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)o1 ZINC000192778434 160173558 /nfs/dbraw/zinc/17/35/58/160173558.db2.gz WLGLYJSZWWDYEP-LJQANCHMSA-N 2 2 335.492 2.377 10 0 EEAELP Cc1ccc([C@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)o1 ZINC000192778434 160173559 /nfs/dbraw/zinc/17/35/59/160173559.db2.gz WLGLYJSZWWDYEP-LJQANCHMSA-N 2 2 335.492 2.377 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000246291018 160272188 /nfs/dbraw/zinc/27/21/88/160272188.db2.gz OUBQELVWWIOJBD-GDBMZVCRSA-N 2 2 332.473 2.486 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cccs2)C[C@H]1n1cc[nH+]c1 ZINC000246291018 160272191 /nfs/dbraw/zinc/27/21/91/160272191.db2.gz OUBQELVWWIOJBD-GDBMZVCRSA-N 2 2 332.473 2.486 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C)cc1 ZINC000246872519 160298897 /nfs/dbraw/zinc/29/88/97/160298897.db2.gz DCMWFELBVUTNLK-ROUUACIJSA-N 2 2 329.444 2.404 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C)cc1 ZINC000246872519 160298898 /nfs/dbraw/zinc/29/88/98/160298898.db2.gz DCMWFELBVUTNLK-ROUUACIJSA-N 2 2 329.444 2.404 10 0 EEAELP COc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000247111818 160310817 /nfs/dbraw/zinc/31/08/17/160310817.db2.gz TURDRBWKLGSPMS-CRAIPNDOSA-N 2 2 326.444 2.485 10 0 EEAELP COc1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000247111818 160310818 /nfs/dbraw/zinc/31/08/18/160310818.db2.gz TURDRBWKLGSPMS-CRAIPNDOSA-N 2 2 326.444 2.485 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248147701 160339125 /nfs/dbraw/zinc/33/91/25/160339125.db2.gz QJDXFFDEMJKFBK-PKOBYXMFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248147701 160339127 /nfs/dbraw/zinc/33/91/27/160339127.db2.gz QJDXFFDEMJKFBK-PKOBYXMFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248147701 160339129 /nfs/dbraw/zinc/33/91/29/160339129.db2.gz QJDXFFDEMJKFBK-PKOBYXMFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248147701 160339130 /nfs/dbraw/zinc/33/91/30/160339130.db2.gz QJDXFFDEMJKFBK-PKOBYXMFSA-N 2 2 345.487 2.070 10 0 EEAELP COCC[N@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000342138219 161042592 /nfs/dbraw/zinc/04/25/92/161042592.db2.gz WQJLWUHPVWLFAL-VQTJNVASSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[N@@H+](C[C@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000342138219 161042593 /nfs/dbraw/zinc/04/25/93/161042593.db2.gz WQJLWUHPVWLFAL-VQTJNVASSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[NH+](C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000342138219 161042594 /nfs/dbraw/zinc/04/25/94/161042594.db2.gz WQJLWUHPVWLFAL-VQTJNVASSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[NH+](C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000342138219 161042595 /nfs/dbraw/zinc/04/25/95/161042595.db2.gz WQJLWUHPVWLFAL-VQTJNVASSA-N 2 2 348.487 2.015 10 0 EEAELP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000342860065 161096196 /nfs/dbraw/zinc/09/61/96/161096196.db2.gz NGFGSPHKYMKWHT-UHFFFAOYSA-N 2 2 348.397 2.318 10 0 EEAELP Cc1ccc(-c2nnc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o2)cc1 ZINC000344031131 161191708 /nfs/dbraw/zinc/19/17/08/161191708.db2.gz PHEURJQBDZZXQR-UHFFFAOYSA-N 2 2 345.491 2.360 10 0 EEAELP Cc1ccc(-c2nnc(C[N@H+](C)CCCN(C)CC[NH+](C)C)o2)cc1 ZINC000344031131 161191709 /nfs/dbraw/zinc/19/17/09/161191709.db2.gz PHEURJQBDZZXQR-UHFFFAOYSA-N 2 2 345.491 2.360 10 0 EEAELP Cc1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2cccc3[nH+]ccn32)on1 ZINC000346612402 161386192 /nfs/dbraw/zinc/38/61/92/161386192.db2.gz XWNIDBQIDBGSPA-HOCLYGCPSA-N 2 2 343.406 2.333 10 0 EEAELP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000352082181 162061374 /nfs/dbraw/zinc/06/13/74/162061374.db2.gz IGGQTJGNWLXJTI-KURKYZTESA-N 2 2 337.895 2.130 10 0 EEAELP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000352082181 162061377 /nfs/dbraw/zinc/06/13/77/162061377.db2.gz IGGQTJGNWLXJTI-KURKYZTESA-N 2 2 337.895 2.130 10 0 EEAELP C[N@H+](C[C@H](O)CN[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082181 162061379 /nfs/dbraw/zinc/06/13/79/162061379.db2.gz IGGQTJGNWLXJTI-KURKYZTESA-N 2 2 337.895 2.130 10 0 EEAELP C[N@@H+](C[C@H](O)CN[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082181 162061382 /nfs/dbraw/zinc/06/13/82/162061382.db2.gz IGGQTJGNWLXJTI-KURKYZTESA-N 2 2 337.895 2.130 10 0 EEAELP C[NH+](C[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082181 162061388 /nfs/dbraw/zinc/06/13/88/162061388.db2.gz IGGQTJGNWLXJTI-KURKYZTESA-N 2 2 337.895 2.130 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352398503 162121404 /nfs/dbraw/zinc/12/14/04/162121404.db2.gz OYIFMCQNACFYBR-ZACQAIPSSA-N 2 2 345.491 2.155 10 0 EEAELP C[NH+](C)Cc1cccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)c1 ZINC000355812861 163310928 /nfs/dbraw/zinc/31/09/28/163310928.db2.gz YBEQJGLILKLBMU-UHFFFAOYSA-N 2 2 340.349 2.437 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103377 166051353 /nfs/dbraw/zinc/05/13/53/166051353.db2.gz VIRPPOKYJIROOF-SWLSCSKDSA-N 2 2 348.472 2.379 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103377 166051355 /nfs/dbraw/zinc/05/13/55/166051355.db2.gz VIRPPOKYJIROOF-SWLSCSKDSA-N 2 2 348.472 2.379 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171899965 227346487 /nfs/dbraw/zinc/34/64/87/227346487.db2.gz RQZDPPCTAFXCJC-KRWDZBQOSA-N 2 2 343.475 2.062 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171899965 227346489 /nfs/dbraw/zinc/34/64/89/227346489.db2.gz RQZDPPCTAFXCJC-KRWDZBQOSA-N 2 2 343.475 2.062 10 0 EEAELP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1cccnc1 ZINC000290628896 275224207 /nfs/dbraw/zinc/22/42/07/275224207.db2.gz XUNXHRLABGKATL-INIZCTEOSA-N 2 2 340.475 2.207 10 0 EEAELP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1cccnc1 ZINC000290628896 275224208 /nfs/dbraw/zinc/22/42/08/275224208.db2.gz XUNXHRLABGKATL-INIZCTEOSA-N 2 2 340.475 2.207 10 0 EEAELP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000290638970 275225054 /nfs/dbraw/zinc/22/50/54/275225054.db2.gz HUPZNLXGTPCDRX-HNNXBMFYSA-N 2 2 344.463 2.187 10 0 EEAELP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000290638970 275225056 /nfs/dbraw/zinc/22/50/56/275225056.db2.gz HUPZNLXGTPCDRX-HNNXBMFYSA-N 2 2 344.463 2.187 10 0 EEAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn3cccnc3n2)CC1 ZINC000291470964 275308503 /nfs/dbraw/zinc/30/85/03/275308503.db2.gz PBGGWGWNWKNITN-HNNXBMFYSA-N 2 2 336.443 2.440 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC3C[C@@H]4CC2C[C@H](C3)C4)CC1 ZINC000363162501 276773013 /nfs/dbraw/zinc/77/30/13/276773013.db2.gz KXBYCAJJGYXOCG-GIOYIUAESA-N 2 2 348.535 2.233 10 0 EEAELP Brc1cccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423170248 277667110 /nfs/dbraw/zinc/66/71/10/277667110.db2.gz XPPPTYNWXPLQEH-HOTGVXAUSA-N 2 2 339.277 2.348 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000358118227 288091219 /nfs/dbraw/zinc/09/12/19/288091219.db2.gz BFCCQQOAZHKCSA-FHLIZLRMSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000358118227 288091222 /nfs/dbraw/zinc/09/12/22/288091222.db2.gz BFCCQQOAZHKCSA-FHLIZLRMSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)c1c[nH+]ccc1N ZINC000422887797 279491519 /nfs/dbraw/zinc/49/15/19/279491519.db2.gz ZNGMZQNOSQXLEU-ZNMIVQPWSA-N 2 2 341.459 2.354 10 0 EEAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000414127126 312973317 /nfs/dbraw/zinc/97/33/17/312973317.db2.gz PODOONZBGXFSIE-APWZRJJASA-N 2 2 328.460 2.014 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]CC1([NH3+])CCCCCC1 ZINC000414858256 313104138 /nfs/dbraw/zinc/10/41/38/313104138.db2.gz IMOQCOYJVKYZOI-UHFFFAOYSA-N 2 2 333.476 2.295 10 0 EEAELP COc1cc(Br)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1O ZINC000414957822 313115361 /nfs/dbraw/zinc/11/53/61/313115361.db2.gz OVHQLZCCGQIVMD-CABZTGNLSA-N 2 2 329.238 2.251 10 0 EEAELP Cc1c(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nn1C ZINC000421347443 314088940 /nfs/dbraw/zinc/08/89/40/314088940.db2.gz VBOMDFCMHOVDRA-MRXNPFEDSA-N 2 2 348.878 2.238 10 0 EEAELP Cc1c(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)nn1C ZINC000421347443 314088942 /nfs/dbraw/zinc/08/89/42/314088942.db2.gz VBOMDFCMHOVDRA-MRXNPFEDSA-N 2 2 348.878 2.238 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)cn1 ZINC000421768075 314159743 /nfs/dbraw/zinc/15/97/43/314159743.db2.gz CSLMQFXQKBPPSM-UHFFFAOYSA-N 2 2 346.519 2.477 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C(C)(C)C)cn1 ZINC000421768075 314159746 /nfs/dbraw/zinc/15/97/46/314159746.db2.gz CSLMQFXQKBPPSM-UHFFFAOYSA-N 2 2 346.519 2.477 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c[nH]nc3C(C)C)CC2)CC1 ZINC000422132552 314185570 /nfs/dbraw/zinc/18/55/70/314185570.db2.gz OEMGCXZXLPOUIZ-UHFFFAOYSA-N 2 2 347.507 2.165 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c[nH]nc3C(C)C)CC2)CC1 ZINC000422132552 314185572 /nfs/dbraw/zinc/18/55/72/314185572.db2.gz OEMGCXZXLPOUIZ-UHFFFAOYSA-N 2 2 347.507 2.165 10 0 EEAELP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000510136290 316387487 /nfs/dbraw/zinc/38/74/87/316387487.db2.gz WVTBXHQDFSTVGH-YTQUADARSA-N 2 2 345.487 2.001 10 0 EEAELP CO[C@H]1C[C@@H]([N@@H+](C)CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000510136290 316387489 /nfs/dbraw/zinc/38/74/89/316387489.db2.gz WVTBXHQDFSTVGH-YTQUADARSA-N 2 2 345.487 2.001 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnn(CC)n2)CC1 ZINC000527733177 317253988 /nfs/dbraw/zinc/25/39/88/317253988.db2.gz AQHMYLTZSPZMQT-UHFFFAOYSA-N 2 2 342.491 2.120 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000527972954 317296065 /nfs/dbraw/zinc/29/60/65/317296065.db2.gz ZWVAUVJRLSVIJP-QKYXUNIQSA-N 2 2 329.488 2.342 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000527972954 317296066 /nfs/dbraw/zinc/29/60/66/317296066.db2.gz ZWVAUVJRLSVIJP-QKYXUNIQSA-N 2 2 329.488 2.342 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015814 317303499 /nfs/dbraw/zinc/30/34/99/317303499.db2.gz YYOCZCWELDAMLH-CJNGLKHVSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015814 317303501 /nfs/dbraw/zinc/30/35/01/317303501.db2.gz YYOCZCWELDAMLH-CJNGLKHVSA-N 2 2 337.489 2.002 10 0 EEAELP CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000538711490 318042736 /nfs/dbraw/zinc/04/27/36/318042736.db2.gz WOWLLBDKLMSQCO-UHFFFAOYSA-N 2 2 327.432 2.214 10 0 EEAELP CC(C)(C)[N@H+]1CCCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000538711490 318042739 /nfs/dbraw/zinc/04/27/39/318042739.db2.gz WOWLLBDKLMSQCO-UHFFFAOYSA-N 2 2 327.432 2.214 10 0 EEAELP C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000566778917 319319325 /nfs/dbraw/zinc/31/93/25/319319325.db2.gz 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XXHQWGSFULGARN-QGZVFWFLSA-N 2 2 329.492 2.269 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361639984 466170535 /nfs/dbraw/zinc/17/05/35/466170535.db2.gz RHTYLQSBAIMSCS-UZLBHIALSA-N 2 2 347.478 2.342 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361639984 466170544 /nfs/dbraw/zinc/17/05/44/466170544.db2.gz RHTYLQSBAIMSCS-UZLBHIALSA-N 2 2 347.478 2.342 10 0 EEAELP c1c[nH]c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000555611819 468486046 /nfs/dbraw/zinc/48/60/46/468486046.db2.gz CUXGCHMWIACHSB-GOSISDBHSA-N 2 2 340.471 2.428 10 0 EEAELP c1c[nH]c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000555611819 468486052 /nfs/dbraw/zinc/48/60/52/468486052.db2.gz CUXGCHMWIACHSB-GOSISDBHSA-N 2 2 340.471 2.428 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)C2 ZINC000372402721 466355434 /nfs/dbraw/zinc/35/54/34/466355434.db2.gz YBVRWEHIXOXDCU-CPUCHLNUSA-N 2 2 332.492 2.437 10 0 EEAELP 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C[N@H+](CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)Cc1ccccc1 ZINC000365917380 466987642 /nfs/dbraw/zinc/98/76/42/466987642.db2.gz CKRDMVOYZCUVAI-UHFFFAOYSA-N 2 2 341.459 2.431 10 0 EEAELP C[N@@H+](CCNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)Cc1ccccc1 ZINC000365917380 466987646 /nfs/dbraw/zinc/98/76/46/466987646.db2.gz CKRDMVOYZCUVAI-UHFFFAOYSA-N 2 2 341.459 2.431 10 0 EEAELP CNc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000412139655 467024597 /nfs/dbraw/zinc/02/45/97/467024597.db2.gz ALSSZSQROYMRLO-UHFFFAOYSA-N 2 2 344.503 2.408 10 0 EEAELP CC[N@H+](CCCNC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000377118174 467033564 /nfs/dbraw/zinc/03/35/64/467033564.db2.gz ZJZSCZROBFWWQH-UHFFFAOYSA-N 2 2 330.476 2.393 10 0 EEAELP CC[N@@H+](CCCNC(=O)N1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000377118174 467033568 /nfs/dbraw/zinc/03/35/68/467033568.db2.gz ZJZSCZROBFWWQH-UHFFFAOYSA-N 2 2 330.476 2.393 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418411021 467106827 /nfs/dbraw/zinc/10/68/27/467106827.db2.gz DPQSRHUYGZGKEN-CYBMUJFWSA-N 2 2 338.883 2.466 10 0 EEAELP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418654355 467141675 /nfs/dbraw/zinc/14/16/75/467141675.db2.gz PQDUATVVTLTJQR-KRWDZBQOSA-N 2 2 329.448 2.177 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427888437 467184140 /nfs/dbraw/zinc/18/41/40/467184140.db2.gz XBYADMJYAJVKBB-CABCVRRESA-N 2 2 329.366 2.134 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427888437 467184142 /nfs/dbraw/zinc/18/41/42/467184142.db2.gz XBYADMJYAJVKBB-CABCVRRESA-N 2 2 329.366 2.134 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000451260520 467251378 /nfs/dbraw/zinc/25/13/78/467251378.db2.gz DLUAXTNCARACJP-SLFFLAALSA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000451260520 467251386 /nfs/dbraw/zinc/25/13/86/467251386.db2.gz DLUAXTNCARACJP-SLFFLAALSA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451260520 467251388 /nfs/dbraw/zinc/25/13/88/467251388.db2.gz DLUAXTNCARACJP-SLFFLAALSA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000451260520 467251393 /nfs/dbraw/zinc/25/13/93/467251393.db2.gz DLUAXTNCARACJP-SLFFLAALSA-N 2 2 332.488 2.370 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCc1ccc(Cl)cc1 ZINC000390943450 467417352 /nfs/dbraw/zinc/41/73/52/467417352.db2.gz LEKVJLIFIPXJLK-NVXWUHKLSA-N 2 2 335.879 2.420 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCc1ccc(Cl)cc1 ZINC000390943450 467417356 /nfs/dbraw/zinc/41/73/56/467417356.db2.gz LEKVJLIFIPXJLK-NVXWUHKLSA-N 2 2 335.879 2.420 10 0 EEAELP CCOC(=O)COc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000414839345 467437044 /nfs/dbraw/zinc/43/70/44/467437044.db2.gz WBOHGUHCKYZGPR-GOSISDBHSA-N 2 2 328.412 2.418 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000457379552 467811256 /nfs/dbraw/zinc/81/12/56/467811256.db2.gz SWUOYWISPBXBKE-SFHVURJKSA-N 2 2 341.459 2.099 10 0 EEAELP C[NH+](C)C1CC([NH2+]Cc2cccc(I)c2)C1 ZINC000516938336 468057593 /nfs/dbraw/zinc/05/75/93/468057593.db2.gz VJTFFLWFFQJACT-UHFFFAOYSA-N 2 2 330.213 2.473 10 0 EEAELP O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1c[nH+]c2n1CCCC2 ZINC000516959029 468060312 /nfs/dbraw/zinc/06/03/12/468060312.db2.gz IDCVUFAAVSBGKO-UHFFFAOYSA-N 2 2 338.455 2.284 10 0 EEAELP O=C(CC[N@H+]1CCc2ccccc2C1)NCc1c[nH+]c2n1CCCC2 ZINC000516959029 468060314 /nfs/dbraw/zinc/06/03/14/468060314.db2.gz IDCVUFAAVSBGKO-UHFFFAOYSA-N 2 2 338.455 2.284 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)CC2CC(OC(C)(C)C)C2)CC1 ZINC000488754587 468102362 /nfs/dbraw/zinc/10/23/62/468102362.db2.gz UUDMJABDCDTOGG-UHFFFAOYSA-N 2 2 339.524 2.112 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC[C@H]2CC3CCC2CC3)CC1 ZINC000567761930 468205405 /nfs/dbraw/zinc/20/54/05/468205405.db2.gz SEWGPSDCNYYBSX-OFLPRAFFSA-N 2 2 336.524 2.138 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567819994 468217118 /nfs/dbraw/zinc/21/71/18/468217118.db2.gz CTHNGKKCFRODFI-BBRMVZONSA-N 2 2 327.432 2.232 10 0 EEAELP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000592438866 468698738 /nfs/dbraw/zinc/69/87/38/468698738.db2.gz QVVVVHBHGRSSDJ-YOEHRIQHSA-N 2 2 332.444 2.391 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC000601334767 468830750 /nfs/dbraw/zinc/83/07/50/468830750.db2.gz NLIDQNVSUSVPST-WBVHZDCISA-N 2 2 344.459 2.025 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC000601334767 468830753 /nfs/dbraw/zinc/83/07/53/468830753.db2.gz NLIDQNVSUSVPST-WBVHZDCISA-N 2 2 344.459 2.025 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cc(C)c1O ZINC000573645918 469175863 /nfs/dbraw/zinc/17/58/63/469175863.db2.gz ZAXHOLPQWZGOSF-MRXNPFEDSA-N 2 2 342.443 2.023 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150258 469183415 /nfs/dbraw/zinc/18/34/15/469183415.db2.gz LTRHXJHNUWLVCQ-OXQOHEQNSA-N 2 2 345.487 2.290 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563150258 469183416 /nfs/dbraw/zinc/18/34/16/469183416.db2.gz LTRHXJHNUWLVCQ-OXQOHEQNSA-N 2 2 345.487 2.290 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)ccc2[nH+]1 ZINC000599405768 469246416 /nfs/dbraw/zinc/24/64/16/469246416.db2.gz ONJORHRMBIIKIR-INIZCTEOSA-N 2 2 345.447 2.121 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)ccc2[nH+]1 ZINC000599405768 469246420 /nfs/dbraw/zinc/24/64/20/469246420.db2.gz ONJORHRMBIIKIR-INIZCTEOSA-N 2 2 345.447 2.121 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)CC2CCC(F)(F)CC2)CC1 ZINC000625993855 469461087 /nfs/dbraw/zinc/46/10/87/469461087.db2.gz NAAZAQJPZBBYNH-UHFFFAOYSA-N 2 2 331.451 2.344 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000629512162 469569883 /nfs/dbraw/zinc/56/98/83/469569883.db2.gz BKGRJYCBZKZJGL-XKVFNRALSA-N 2 2 344.377 2.278 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)CC2 ZINC000626320937 469575882 /nfs/dbraw/zinc/57/58/82/469575882.db2.gz NLBRZSCCZMSAPX-KRWDZBQOSA-N 2 2 332.492 2.334 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCN(c3cccc(Cl)c3)C1=O)C2 ZINC000629585268 469585277 /nfs/dbraw/zinc/58/52/77/469585277.db2.gz PDAMGTMUKAHEOM-NXHRZFHOSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCN(c3cccc(Cl)c3)C1=O)C2 ZINC000629585268 469585281 /nfs/dbraw/zinc/58/52/81/469585281.db2.gz PDAMGTMUKAHEOM-NXHRZFHOSA-N 2 2 333.863 2.377 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428775 469653892 /nfs/dbraw/zinc/65/38/92/469653892.db2.gz ZZPUJIWTHHPKKV-UFYCRDLUSA-N 3 2 345.531 2.332 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428775 469653893 /nfs/dbraw/zinc/65/38/93/469653893.db2.gz ZZPUJIWTHHPKKV-UFYCRDLUSA-N 3 2 345.531 2.332 10 0 EEAELP C[NH+]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428775 469653898 /nfs/dbraw/zinc/65/38/98/469653898.db2.gz ZZPUJIWTHHPKKV-UFYCRDLUSA-N 3 2 345.531 2.332 10 0 EEAELP C[NH+]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1(C)C ZINC000623428775 469653903 /nfs/dbraw/zinc/65/39/03/469653903.db2.gz ZZPUJIWTHHPKKV-UFYCRDLUSA-N 3 2 345.531 2.332 10 0 EEAELP C[N@H+](CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978345 469689723 /nfs/dbraw/zinc/68/97/23/469689723.db2.gz RPSKZGNWKLHLNE-FUHWJXTLSA-N 2 2 337.414 2.311 10 0 EEAELP C[N@@H+](CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978345 469689725 /nfs/dbraw/zinc/68/97/25/469689725.db2.gz RPSKZGNWKLHLNE-FUHWJXTLSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978345 469689728 /nfs/dbraw/zinc/68/97/28/469689728.db2.gz RPSKZGNWKLHLNE-FUHWJXTLSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978345 469689732 /nfs/dbraw/zinc/68/97/32/469689732.db2.gz RPSKZGNWKLHLNE-FUHWJXTLSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC[C@H]3CC=CCC3)C2)CC1 ZINC000623638472 469719571 /nfs/dbraw/zinc/71/95/71/469719571.db2.gz GUCDXGYIEBGUEE-IRXDYDNUSA-N 2 2 334.508 2.201 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC[C@H]3CC=CCC3)C2)CC1 ZINC000623638472 469719574 /nfs/dbraw/zinc/71/95/74/469719574.db2.gz GUCDXGYIEBGUEE-IRXDYDNUSA-N 2 2 334.508 2.201 10 0 EEAELP CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)[C@@H]1CC[N@H+](C)C1 ZINC000617550820 469722493 /nfs/dbraw/zinc/72/24/93/469722493.db2.gz DTXYJIHDSKYVNR-GFCCVEGCSA-N 2 2 336.386 2.176 10 0 EEAELP CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)[C@@H]1CC[N@@H+](C)C1 ZINC000617550820 469722497 /nfs/dbraw/zinc/72/24/97/469722497.db2.gz DTXYJIHDSKYVNR-GFCCVEGCSA-N 2 2 336.386 2.176 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Br)s1 ZINC000617768931 469799421 /nfs/dbraw/zinc/79/94/21/469799421.db2.gz ZXFBZOHRYFEBIW-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Br)s1 ZINC000617768931 469799423 /nfs/dbraw/zinc/79/94/23/469799423.db2.gz ZXFBZOHRYFEBIW-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)c[nH+]2)CC1 ZINC000626931480 469758763 /nfs/dbraw/zinc/75/87/63/469758763.db2.gz GNRBVAMJZNGUOZ-NVXWUHKLSA-N 2 2 345.491 2.258 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627129445 469821109 /nfs/dbraw/zinc/82/11/09/469821109.db2.gz JVLROHAZFXTJCK-OAHLLOKOSA-N 2 2 333.480 2.152 10 0 EEAELP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000617931205 469843927 /nfs/dbraw/zinc/84/39/27/469843927.db2.gz SIOQSGYELYGIEQ-SFHVURJKSA-N 2 2 326.444 2.488 10 0 EEAELP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000617931205 469843932 /nfs/dbraw/zinc/84/39/32/469843932.db2.gz SIOQSGYELYGIEQ-SFHVURJKSA-N 2 2 326.444 2.488 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccccc1 ZINC000608727609 469867571 /nfs/dbraw/zinc/86/75/71/469867571.db2.gz RCTFQBMNFJQAPL-KRWDZBQOSA-N 2 2 341.459 2.051 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000608727609 469867573 /nfs/dbraw/zinc/86/75/73/469867573.db2.gz RCTFQBMNFJQAPL-KRWDZBQOSA-N 2 2 341.459 2.051 10 0 EEAELP Cc1ccc(Br)cc1[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624338681 469908708 /nfs/dbraw/zinc/90/87/08/469908708.db2.gz AGOLAHBRINGEEP-JSGCOSHPSA-N 2 2 327.266 2.475 10 0 EEAELP Cc1ccc(Br)cc1[C@H](C)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624338681 469908711 /nfs/dbraw/zinc/90/87/11/469908711.db2.gz AGOLAHBRINGEEP-JSGCOSHPSA-N 2 2 327.266 2.475 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](c1nc([C@H]3C[N@@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000624552364 469975368 /nfs/dbraw/zinc/97/53/68/469975368.db2.gz FAIJLWGEQQWNGT-QLFBSQMISA-N 2 2 343.431 2.230 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](c1nc([C@H]3C[N@H+]4CCCC[C@H]4CO3)no1)CC2 ZINC000624552364 469975374 /nfs/dbraw/zinc/97/53/74/469975374.db2.gz FAIJLWGEQQWNGT-QLFBSQMISA-N 2 2 343.431 2.230 10 0 EEAELP C[C@H]1c2ccccc2CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621422091 470045953 /nfs/dbraw/zinc/04/59/53/470045953.db2.gz DUYPBABJPMIPQC-DOTOQJQBSA-N 2 2 342.487 2.441 10 0 EEAELP C[C@H]1c2ccccc2CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621422091 470045955 /nfs/dbraw/zinc/04/59/55/470045955.db2.gz DUYPBABJPMIPQC-DOTOQJQBSA-N 2 2 342.487 2.441 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000628373787 470099919 /nfs/dbraw/zinc/09/99/19/470099919.db2.gz JGPAMNYNTMXOLK-LJQANCHMSA-N 2 2 338.411 2.279 10 0 EEAELP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625450073 470147100 /nfs/dbraw/zinc/14/71/00/470147100.db2.gz JJAPZSMJQHEHPF-ZWKOTPCHSA-N 2 2 338.455 2.227 10 0 EEAELP O=C(NCCc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625450073 470147103 /nfs/dbraw/zinc/14/71/03/470147103.db2.gz JJAPZSMJQHEHPF-ZWKOTPCHSA-N 2 2 338.455 2.227 10 0 EEAELP c1cc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc2c1OCO2 ZINC000631886527 470189370 /nfs/dbraw/zinc/18/93/70/470189370.db2.gz IHNQJEQZJNQNIE-UONOGXRCSA-N 2 2 342.399 2.039 10 0 EEAELP c1cc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc2c1OCO2 ZINC000631886527 470189371 /nfs/dbraw/zinc/18/93/71/470189371.db2.gz IHNQJEQZJNQNIE-UONOGXRCSA-N 2 2 342.399 2.039 10 0 EEAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC(CO[C@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000634812117 470324136 /nfs/dbraw/zinc/32/41/36/470324136.db2.gz AJLWHLCYSFTHKP-HNNXBMFYSA-N 2 2 341.459 2.430 10 0 EEAELP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000633142634 470362102 /nfs/dbraw/zinc/36/21/02/470362102.db2.gz HUVVULFONCUQNO-HOCLYGCPSA-N 2 2 349.385 2.275 10 0 EEAELP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000633142634 470362107 /nfs/dbraw/zinc/36/21/07/470362107.db2.gz HUVVULFONCUQNO-HOCLYGCPSA-N 2 2 349.385 2.275 10 0 EEAELP C[C@@H](CC[NH2+][C@@H]1CCCS(=O)(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000634966197 470385497 /nfs/dbraw/zinc/38/54/97/470385497.db2.gz FQDGMNJXIGVDKC-FUHWJXTLSA-N 2 2 338.517 2.454 10 0 EEAELP C[C@@H](CC[NH2+][C@@H]1CCCS(=O)(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000634966197 470385502 /nfs/dbraw/zinc/38/55/02/470385502.db2.gz FQDGMNJXIGVDKC-FUHWJXTLSA-N 2 2 338.517 2.454 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC000639252638 470444683 /nfs/dbraw/zinc/44/46/83/470444683.db2.gz NVFVMOXARFELDX-UHFFFAOYSA-N 2 2 346.471 2.010 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635727009 470729208 /nfs/dbraw/zinc/72/92/08/470729208.db2.gz VPNXUUHGBQMCSP-KBRIMQKVSA-N 2 2 339.443 2.250 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635727009 470729211 /nfs/dbraw/zinc/72/92/11/470729211.db2.gz VPNXUUHGBQMCSP-KBRIMQKVSA-N 2 2 339.443 2.250 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644547980 470979612 /nfs/dbraw/zinc/97/96/12/470979612.db2.gz JIZXOICPLMLADA-AWEZNQCLSA-N 2 2 340.265 2.462 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000644547980 470979617 /nfs/dbraw/zinc/97/96/17/470979617.db2.gz JIZXOICPLMLADA-AWEZNQCLSA-N 2 2 340.265 2.462 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899124 471010770 /nfs/dbraw/zinc/01/07/70/471010770.db2.gz AEDDHPUYDOPHBQ-INMHGKMJSA-N 2 2 335.517 2.259 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899124 471010773 /nfs/dbraw/zinc/01/07/73/471010773.db2.gz AEDDHPUYDOPHBQ-INMHGKMJSA-N 2 2 335.517 2.259 10 0 EEAELP CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647904046 471012928 /nfs/dbraw/zinc/01/29/28/471012928.db2.gz VJLKLZILKCAZIG-RHSMWYFYSA-N 2 2 335.517 2.391 10 0 EEAELP CCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)s1 ZINC000647904046 471012933 /nfs/dbraw/zinc/01/29/33/471012933.db2.gz VJLKLZILKCAZIG-RHSMWYFYSA-N 2 2 335.517 2.391 10 0 EEAELP c1c(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)nn2c1CCC2 ZINC000657300743 471090405 /nfs/dbraw/zinc/09/04/05/471090405.db2.gz LYUJPJRYKAQRFW-UHFFFAOYSA-N 2 2 339.487 2.131 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000648161671 471105423 /nfs/dbraw/zinc/10/54/23/471105423.db2.gz USKLWDFMOYNXQG-HOCLYGCPSA-N 2 2 325.403 2.344 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000648161671 471105428 /nfs/dbraw/zinc/10/54/28/471105428.db2.gz USKLWDFMOYNXQG-HOCLYGCPSA-N 2 2 325.403 2.344 10 0 EEAELP CC(C)OCC[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657385714 471120404 /nfs/dbraw/zinc/12/04/04/471120404.db2.gz YMLNUQGCNHUOAF-UHFFFAOYSA-N 2 2 348.413 2.418 10 0 EEAELP Nc1nc(NCc2ccc(N3CCCCC3)[nH+]c2)c2c([nH+]1)CCCC2 ZINC000645126127 471146435 /nfs/dbraw/zinc/14/64/35/471146435.db2.gz ZIDKVWQZYRYNIM-UHFFFAOYSA-N 2 2 338.459 2.357 10 0 EEAELP C[N@H+](Cc1ccccc1)C1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652102305 471233355 /nfs/dbraw/zinc/23/33/55/471233355.db2.gz RMRCAAGCASMBEL-UHFFFAOYSA-N 2 2 338.455 2.105 10 0 EEAELP C[N@@H+](Cc1ccccc1)C1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000652102305 471233357 /nfs/dbraw/zinc/23/33/57/471233357.db2.gz RMRCAAGCASMBEL-UHFFFAOYSA-N 2 2 338.455 2.105 10 0 EEAELP COC[C@H](CC1CCOCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657835383 471239375 /nfs/dbraw/zinc/23/93/75/471239375.db2.gz FTSVPZMOJRCTSP-SFHVURJKSA-N 2 2 333.476 2.472 10 0 EEAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cnccc2o1 ZINC000657865832 471242444 /nfs/dbraw/zinc/24/24/44/471242444.db2.gz TYJAFCZITNJEOL-ZBFHGGJFSA-N 2 2 344.459 2.421 10 0 EEAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc2cnccc2o1 ZINC000657865832 471242446 /nfs/dbraw/zinc/24/24/46/471242446.db2.gz TYJAFCZITNJEOL-ZBFHGGJFSA-N 2 2 344.459 2.421 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000652358164 471278884 /nfs/dbraw/zinc/27/88/84/471278884.db2.gz HSIDUUBZGCLPIV-ZSZQSSIHSA-N 2 2 341.455 2.462 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000652358164 471278886 /nfs/dbraw/zinc/27/88/86/471278886.db2.gz HSIDUUBZGCLPIV-ZSZQSSIHSA-N 2 2 341.455 2.462 10 0 EEAELP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658340881 471290483 /nfs/dbraw/zinc/29/04/83/471290483.db2.gz FGMARPFMYBROCJ-PMACEKPBSA-N 2 2 341.503 2.277 10 0 EEAELP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658340881 471290485 /nfs/dbraw/zinc/29/04/85/471290485.db2.gz FGMARPFMYBROCJ-PMACEKPBSA-N 2 2 341.503 2.277 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000660433450 471339754 /nfs/dbraw/zinc/33/97/54/471339754.db2.gz MMNJHDYCDFSVPJ-MRXNPFEDSA-N 2 2 345.491 2.222 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000660433450 471339759 /nfs/dbraw/zinc/33/97/59/471339759.db2.gz MMNJHDYCDFSVPJ-MRXNPFEDSA-N 2 2 345.491 2.222 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655470745 471339980 /nfs/dbraw/zinc/33/99/80/471339980.db2.gz NOFUSDAUFBNJHE-DOTOQJQBSA-N 2 2 339.842 2.483 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655470745 471339986 /nfs/dbraw/zinc/33/99/86/471339986.db2.gz NOFUSDAUFBNJHE-DOTOQJQBSA-N 2 2 339.842 2.483 10 0 EEAELP COc1cccc([C@@H](CNC(=O)N[C@@H](C)c2[nH+]ccn2C)[NH+](C)C)c1 ZINC000663445042 471381315 /nfs/dbraw/zinc/38/13/15/471381315.db2.gz NQOLIQVTPMQYQB-XJKSGUPXSA-N 2 2 345.447 2.092 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)N[C@H](C)c2[nH+]ccn2C)[NH+](C)C)cc1 ZINC000660572250 471397586 /nfs/dbraw/zinc/39/75/86/471397586.db2.gz REDVBBUHXCXRJC-GDBMZVCRSA-N 2 2 329.448 2.392 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000660572671 471397777 /nfs/dbraw/zinc/39/77/77/471397777.db2.gz DHCYAKXAZKJNFW-TXPKVOOTSA-N 2 2 348.535 2.280 10 0 EEAELP Brc1ccc(-n2cc(C[NH2+]CC34CC(C3)C[NH2+]4)cn2)cc1 ZINC000663501147 471401876 /nfs/dbraw/zinc/40/18/76/471401876.db2.gz AIVZJFZEWKQYLL-UHFFFAOYSA-N 2 2 347.260 2.476 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669552084 471547369 /nfs/dbraw/zinc/54/73/69/471547369.db2.gz WEUQDOFJKOOJTP-LKTVYLICSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669552084 471547373 /nfs/dbraw/zinc/54/73/73/471547373.db2.gz WEUQDOFJKOOJTP-LKTVYLICSA-N 2 2 342.846 2.261 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC(C4CCOCC4)C3)c2cc1C ZINC000669665711 471587785 /nfs/dbraw/zinc/58/77/85/471587785.db2.gz QCHPADUOVIUCTA-SFHVURJKSA-N 2 2 343.471 2.372 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659440973 471629097 /nfs/dbraw/zinc/62/90/97/471629097.db2.gz MMPXEXHJJAAMGT-QZTJIDSGSA-N 2 2 341.459 2.108 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C3CC3)C3CC3)C2)CC1 ZINC000664131430 471648275 /nfs/dbraw/zinc/64/82/75/471648275.db2.gz XZMPLQKYAUSXCG-INIZCTEOSA-N 2 2 334.508 2.033 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC(C)(C3CC3)C3CC3)C2)CC1 ZINC000664131430 471648276 /nfs/dbraw/zinc/64/82/76/471648276.db2.gz XZMPLQKYAUSXCG-INIZCTEOSA-N 2 2 334.508 2.033 10 0 EEAELP CC(C)c1scnc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000667109253 471656914 /nfs/dbraw/zinc/65/69/14/471656914.db2.gz XGKFIHJQHUPXNG-UHFFFAOYSA-N 2 2 327.498 2.272 10 0 EEAELP CC(C)c1scnc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000667109253 471656918 /nfs/dbraw/zinc/65/69/18/471656918.db2.gz XGKFIHJQHUPXNG-UHFFFAOYSA-N 2 2 327.498 2.272 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1[nH+]ccn1C ZINC000661192559 471662243 /nfs/dbraw/zinc/66/22/43/471662243.db2.gz FGZJKMFQOWTXPX-YQQAZPJKSA-N 2 2 341.459 2.443 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000664522131 471780004 /nfs/dbraw/zinc/78/00/04/471780004.db2.gz VUIYZILNFBLINR-HNNXBMFYSA-N 2 2 333.480 2.080 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000664522131 471780010 /nfs/dbraw/zinc/78/00/10/471780010.db2.gz VUIYZILNFBLINR-HNNXBMFYSA-N 2 2 333.480 2.080 10 0 EEAELP CCCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CCS(=O)(=O)C1 ZINC000667475452 471791152 /nfs/dbraw/zinc/79/11/52/471791152.db2.gz QJKXLILBLPZZHL-KRWDZBQOSA-N 2 2 348.472 2.057 10 0 EEAELP CCCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CCS(=O)(=O)C1 ZINC000667475452 471791156 /nfs/dbraw/zinc/79/11/56/471791156.db2.gz QJKXLILBLPZZHL-KRWDZBQOSA-N 2 2 348.472 2.057 10 0 EEAELP CCn1nccc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000656790189 471841697 /nfs/dbraw/zinc/84/16/97/471841697.db2.gz PKYRAAVYJJQEST-NVXWUHKLSA-N 2 2 332.423 2.286 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C(F)F)nc1 ZINC000667619522 471846180 /nfs/dbraw/zinc/84/61/80/471846180.db2.gz DLYJRJDCOVHFHT-UHFFFAOYSA-N 2 2 329.395 2.024 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C(F)F)nc1 ZINC000667619522 471846183 /nfs/dbraw/zinc/84/61/83/471846183.db2.gz DLYJRJDCOVHFHT-UHFFFAOYSA-N 2 2 329.395 2.024 10 0 EEAELP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000667685350 471867147 /nfs/dbraw/zinc/86/71/47/471867147.db2.gz YTEINLXNPMSFLT-ZDUSSCGKSA-N 2 2 328.416 2.094 10 0 EEAELP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000667685350 471867151 /nfs/dbraw/zinc/86/71/51/471867151.db2.gz YTEINLXNPMSFLT-ZDUSSCGKSA-N 2 2 328.416 2.094 10 0 EEAELP C[C@@H](NC(=O)NCCC[N@@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000660275865 471924905 /nfs/dbraw/zinc/92/49/05/471924905.db2.gz HABBOTGXHIPVIE-OAHLLOKOSA-N 2 2 329.448 2.302 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@H](OC)[C@H]2CCOC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665234310 471976103 /nfs/dbraw/zinc/97/61/03/471976103.db2.gz ATOFLBZLRLQLJU-WNHJNPCNSA-N 2 2 334.460 2.129 10 0 EEAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cn2cccn2)cc1 ZINC000665255708 471981302 /nfs/dbraw/zinc/98/13/02/471981302.db2.gz ZXLVEPODGQUUPU-SNRMKQJTSA-N 2 2 328.460 2.406 10 0 EEAELP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](C)c2[nH+]ccn2C)CC1 ZINC000662095451 471983424 /nfs/dbraw/zinc/98/34/24/471983424.db2.gz GTLOTOFWRFXHLF-CQSZACIVSA-N 2 2 343.431 2.438 10 0 EEAELP C[C@@H]1OCC[C@]12C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)O2 ZINC000668087383 472003943 /nfs/dbraw/zinc/00/39/43/472003943.db2.gz GBYLAQQGOHHGFL-VKJFTORMSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)O2 ZINC000668087383 472003948 /nfs/dbraw/zinc/00/39/48/472003948.db2.gz GBYLAQQGOHHGFL-VKJFTORMSA-N 2 2 328.416 2.036 10 0 EEAELP CCc1nc2ccccc2n1C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662278932 472054993 /nfs/dbraw/zinc/05/49/93/472054993.db2.gz OABJEPLOOUXTPS-MRXNPFEDSA-N 2 2 328.460 2.224 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662506855 472132539 /nfs/dbraw/zinc/13/25/39/472132539.db2.gz GNLJUJHYSRACMP-CAPXZKIUSA-N 2 2 339.842 2.468 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662506855 472132540 /nfs/dbraw/zinc/13/25/40/472132540.db2.gz GNLJUJHYSRACMP-CAPXZKIUSA-N 2 2 339.842 2.468 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662673627 472198763 /nfs/dbraw/zinc/19/87/63/472198763.db2.gz OTOYFFMAVCXTEJ-CYBMUJFWSA-N 2 2 346.740 2.146 10 0 EEAELP COC[C@@H](C)Oc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739456 472247698 /nfs/dbraw/zinc/24/76/98/472247698.db2.gz MVSPQHITOIIZLQ-APWZRJJASA-N 2 2 348.487 2.131 10 0 EEAELP COC[C@@H](C)Oc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739456 472247703 /nfs/dbraw/zinc/24/77/03/472247703.db2.gz MVSPQHITOIIZLQ-APWZRJJASA-N 2 2 348.487 2.131 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042439 485573294 /nfs/dbraw/zinc/57/32/94/485573294.db2.gz BNGOKTZMYITGOK-RLLQIKCJSA-N 2 2 331.504 2.086 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000679042439 485573297 /nfs/dbraw/zinc/57/32/97/485573297.db2.gz BNGOKTZMYITGOK-RLLQIKCJSA-N 2 2 331.504 2.086 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000629597592 485738957 /nfs/dbraw/zinc/73/89/57/485738957.db2.gz OBAPKXFDACQZJR-NSHDSACASA-N 2 2 349.219 2.272 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000629597592 485738962 /nfs/dbraw/zinc/73/89/62/485738962.db2.gz OBAPKXFDACQZJR-NSHDSACASA-N 2 2 349.219 2.272 10 0 EEAELP CO[C@@H]1C[N@H+](CCOc2ccc(Br)cc2)[C@](C)(C[NH3+])C1 ZINC000630360740 485752020 /nfs/dbraw/zinc/75/20/20/485752020.db2.gz KKSAYTNTTNRYEC-GJZGRUSLSA-N 2 2 343.265 2.266 10 0 EEAELP CO[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2)[C@](C)(C[NH3+])C1 ZINC000630360740 485752025 /nfs/dbraw/zinc/75/20/25/485752025.db2.gz KKSAYTNTTNRYEC-GJZGRUSLSA-N 2 2 343.265 2.266 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000679897572 485838661 /nfs/dbraw/zinc/83/86/61/485838661.db2.gz OHUGXCPRBJIUMU-FUHWJXTLSA-N 2 2 339.443 2.162 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000679897572 485838665 /nfs/dbraw/zinc/83/86/65/485838665.db2.gz OHUGXCPRBJIUMU-FUHWJXTLSA-N 2 2 339.443 2.162 10 0 EEAELP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000679994251 485865182 /nfs/dbraw/zinc/86/51/82/485865182.db2.gz PTOPMWRHOUNMEN-ZWKOTPCHSA-N 2 2 338.455 2.497 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000681356146 486218214 /nfs/dbraw/zinc/21/82/14/486218214.db2.gz LTPVAZDSTLIQFH-UHFFFAOYSA-N 2 2 338.455 2.420 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C1 ZINC000676540972 486254223 /nfs/dbraw/zinc/25/42/23/486254223.db2.gz NVDSULQOJNQHCL-LPHOPBHVSA-N 2 2 344.503 2.374 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)[C@@H](C)C1 ZINC000676540972 486254227 /nfs/dbraw/zinc/25/42/27/486254227.db2.gz NVDSULQOJNQHCL-LPHOPBHVSA-N 2 2 344.503 2.374 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000682220420 486438116 /nfs/dbraw/zinc/43/81/16/486438116.db2.gz FPQIDGJRXWBWFK-WOJBJXKFSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000682220420 486438122 /nfs/dbraw/zinc/43/81/22/486438122.db2.gz FPQIDGJRXWBWFK-WOJBJXKFSA-N 2 2 332.488 2.370 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174306658 534679783 /nfs/dbraw/zinc/67/97/83/534679783.db2.gz XIHPJNVSEPKXRX-QGZVFWFLSA-N 2 2 337.427 2.028 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000191503813 529041599 /nfs/dbraw/zinc/04/15/99/529041599.db2.gz VCLYSNZENWAFCF-IBGZPJMESA-N 3 2 345.535 2.232 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000191503813 529041609 /nfs/dbraw/zinc/04/16/09/529041609.db2.gz VCLYSNZENWAFCF-IBGZPJMESA-N 3 2 345.535 2.232 10 0 EEAELP COc1ccc([C@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422953292 536930270 /nfs/dbraw/zinc/93/02/70/536930270.db2.gz FDZQJZMNGNGZOK-AEFFLSMTSA-N 2 2 333.476 2.383 10 0 EEAELP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000777023982 577471192 /nfs/dbraw/zinc/47/11/92/577471192.db2.gz LIYHFHFVDJNKRL-HOJAQTOUSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H](C[C@@H]1CCOC1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000777023982 577471193 /nfs/dbraw/zinc/47/11/93/577471193.db2.gz LIYHFHFVDJNKRL-HOJAQTOUSA-N 2 2 332.488 2.418 10 0 EEAELP Cc1ccc(C)c(C[N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000762068019 577694377 /nfs/dbraw/zinc/69/43/77/577694377.db2.gz LZAMJGGWXJZVAE-QGZVFWFLSA-N 2 2 326.444 2.442 10 0 EEAELP Cc1ccc(C)c(C[N@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000762068019 577694378 /nfs/dbraw/zinc/69/43/78/577694378.db2.gz LZAMJGGWXJZVAE-QGZVFWFLSA-N 2 2 326.444 2.442 10 0 EEAELP CC[C@@H](C)NC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741877930 578205899 /nfs/dbraw/zinc/20/58/99/578205899.db2.gz WMVJRIOULNUAJZ-OAHLLOKOSA-N 2 2 326.554 2.199 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924611693 683237227 /nfs/dbraw/zinc/23/72/27/683237227.db2.gz GIQFOZMSTMKASR-RCCFBDPRSA-N 2 2 334.460 2.344 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924611693 683237233 /nfs/dbraw/zinc/23/72/33/683237233.db2.gz GIQFOZMSTMKASR-RCCFBDPRSA-N 2 2 334.460 2.344 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c[nH+]1 ZINC000896637473 685145078 /nfs/dbraw/zinc/14/50/78/685145078.db2.gz RPYRGDRGOXDRTF-UHFFFAOYSA-N 2 2 340.471 2.142 10 0 EEAELP CN(C(=O)C[C@@H]1CCC2(CCC2)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989810 686037799 /nfs/dbraw/zinc/03/77/99/686037799.db2.gz WFWRKIWJALRDFR-ROUUACIJSA-N 2 2 349.519 2.105 10 0 EEAELP CN(C(=O)C[C@@H]1CCC2(CCC2)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989810 686037803 /nfs/dbraw/zinc/03/78/03/686037803.db2.gz WFWRKIWJALRDFR-ROUUACIJSA-N 2 2 349.519 2.105 10 0 EEAELP COc1cc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1OCCO ZINC000924730888 693296340 /nfs/dbraw/zinc/29/63/40/693296340.db2.gz UPVBIPALMRFBAE-SJORKVTESA-N 2 2 334.460 2.173 10 0 EEAELP COc1cc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)ccc1OCCO ZINC000924730888 693296343 /nfs/dbraw/zinc/29/63/43/693296343.db2.gz UPVBIPALMRFBAE-SJORKVTESA-N 2 2 334.460 2.173 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266352817 1176378486 /nfs/dbraw/zinc/37/84/86/1176378486.db2.gz IGINREREGIIRPG-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266352817 1176378495 /nfs/dbraw/zinc/37/84/95/1176378495.db2.gz IGINREREGIIRPG-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266790944 1177433628 /nfs/dbraw/zinc/43/36/28/1177433628.db2.gz REMRENLKWFEZOT-GFCCVEGCSA-N 2 2 345.274 2.490 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266790944 1177433630 /nfs/dbraw/zinc/43/36/30/1177433630.db2.gz REMRENLKWFEZOT-GFCCVEGCSA-N 2 2 345.274 2.490 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691097396 1177573972 /nfs/dbraw/zinc/57/39/72/1177573972.db2.gz KPWNMNOZVFFMJU-ZPPHWLAZSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691097396 1177573976 /nfs/dbraw/zinc/57/39/76/1177573976.db2.gz KPWNMNOZVFFMJU-ZPPHWLAZSA-N 2 2 330.476 2.461 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001691103333 1177579794 /nfs/dbraw/zinc/57/97/94/1177579794.db2.gz DRIVZVMBFHLFBH-YESZJQIVSA-N 2 2 332.492 2.366 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001480893872 1177633765 /nfs/dbraw/zinc/63/37/65/1177633765.db2.gz CHGZGBVLAGNCIM-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001480893872 1177633767 /nfs/dbraw/zinc/63/37/67/1177633767.db2.gz CHGZGBVLAGNCIM-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001266869449 1177641579 /nfs/dbraw/zinc/64/15/79/1177641579.db2.gz ALHIFHLHAMJLLJ-CQSZACIVSA-N 2 2 332.423 2.284 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001266869449 1177641586 /nfs/dbraw/zinc/64/15/86/1177641586.db2.gz ALHIFHLHAMJLLJ-CQSZACIVSA-N 2 2 332.423 2.284 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001266910884 1177782153 /nfs/dbraw/zinc/78/21/53/1177782153.db2.gz AHTYZNFLRVYEOF-UHFFFAOYSA-N 2 2 328.460 2.498 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CC/C=C\c1ccccc1 ZINC001266986526 1178042825 /nfs/dbraw/zinc/04/28/25/1178042825.db2.gz YSLDNFOJDIULGY-CXSQMQJXSA-N 2 2 326.444 2.160 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cccc(Cl)n1 ZINC001267132926 1178304388 /nfs/dbraw/zinc/30/43/88/1178304388.db2.gz UQWJJQPIJANYRJ-IACUBPJLSA-N 2 2 347.850 2.246 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cccc(Cl)n1 ZINC001267132926 1178304397 /nfs/dbraw/zinc/30/43/97/1178304397.db2.gz UQWJJQPIJANYRJ-IACUBPJLSA-N 2 2 347.850 2.246 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001481121447 1179809739 /nfs/dbraw/zinc/80/97/39/1179809739.db2.gz APHAWJXKSGYCLA-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001481121447 1179809747 /nfs/dbraw/zinc/80/97/47/1179809747.db2.gz APHAWJXKSGYCLA-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP C[NH+](C)CCC(=O)NCC[N@H+](Cc1sccc1Cl)C1CC1 ZINC001481182348 1180015904 /nfs/dbraw/zinc/01/59/04/1180015904.db2.gz BEYJUSXWEPWVPX-UHFFFAOYSA-N 2 2 329.897 2.434 10 0 EEAELP C[NH+](C)CCC(=O)NCC[N@@H+](Cc1sccc1Cl)C1CC1 ZINC001481182348 1180015907 /nfs/dbraw/zinc/01/59/07/1180015907.db2.gz BEYJUSXWEPWVPX-UHFFFAOYSA-N 2 2 329.897 2.434 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001267753669 1180416739 /nfs/dbraw/zinc/41/67/39/1180416739.db2.gz JUPLCLBIUYXWLF-OAHLLOKOSA-N 2 2 336.505 2.100 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001267753669 1180416744 /nfs/dbraw/zinc/41/67/44/1180416744.db2.gz JUPLCLBIUYXWLF-OAHLLOKOSA-N 2 2 336.505 2.100 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH2+]CC[C@H]3CCCO3)ccn12 ZINC001267984749 1180919872 /nfs/dbraw/zinc/91/98/72/1180919872.db2.gz ACIPEXJPARJQGW-RHSMWYFYSA-N 2 2 344.459 2.167 10 0 EEAELP CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](CCCF)C1 ZINC001481400496 1181216185 /nfs/dbraw/zinc/21/61/85/1181216185.db2.gz HGVCOODKXFEBCT-CVEARBPZSA-N 2 2 336.455 2.118 10 0 EEAELP CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001481400496 1181216190 /nfs/dbraw/zinc/21/61/90/1181216190.db2.gz HGVCOODKXFEBCT-CVEARBPZSA-N 2 2 336.455 2.118 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@@H]1C[NH2+]CCOC1CCC1 ZINC001268184681 1181969952 /nfs/dbraw/zinc/96/99/52/1181969952.db2.gz BGXHQJBGWMXITD-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCOC1CCC1 ZINC001268184681 1181969955 /nfs/dbraw/zinc/96/99/55/1181969955.db2.gz BGXHQJBGWMXITD-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)sn1 ZINC001481742333 1182472112 /nfs/dbraw/zinc/47/21/12/1182472112.db2.gz CLPPBGVWEKOHDE-HUUCEWRRSA-N 2 2 347.488 2.332 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)sn1 ZINC001481742333 1182472116 /nfs/dbraw/zinc/47/21/16/1182472116.db2.gz CLPPBGVWEKOHDE-HUUCEWRRSA-N 2 2 347.488 2.332 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001481862010 1182830485 /nfs/dbraw/zinc/83/04/85/1182830485.db2.gz RGUAASWBXHUARQ-XHDPSFHLSA-N 2 2 348.397 2.402 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CCC(F)(F)CC1 ZINC001481885181 1182886195 /nfs/dbraw/zinc/88/61/95/1182886195.db2.gz OFMLBXLFMMQKGS-AWEZNQCLSA-N 2 2 328.407 2.193 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001481991920 1183098932 /nfs/dbraw/zinc/09/89/32/1183098932.db2.gz RYZAWDHTPHUMHI-HRYODUOUSA-N 2 2 345.274 2.420 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268650939 1183580392 /nfs/dbraw/zinc/58/03/92/1183580392.db2.gz FGTQKTNYFZELNY-LLVKDONJSA-N 2 2 343.456 2.278 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]Cc2csc(C)n2)CCCC1 ZINC001482224737 1184324353 /nfs/dbraw/zinc/32/43/53/1184324353.db2.gz RMGRESXNZYUOKH-UHFFFAOYSA-N 2 2 347.488 2.175 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269556647 1184385924 /nfs/dbraw/zinc/38/59/24/1184385924.db2.gz MIOBODXFTZFDBJ-SJORKVTESA-N 2 2 348.491 2.082 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269556647 1184385929 /nfs/dbraw/zinc/38/59/29/1184385929.db2.gz MIOBODXFTZFDBJ-SJORKVTESA-N 2 2 348.491 2.082 10 0 EEAELP O=C(NCc1ccc(C[NH2+]CCCF)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC001270065175 1184820285 /nfs/dbraw/zinc/82/02/85/1184820285.db2.gz GSQBGGVSGAYGNE-KRWDZBQOSA-N 2 2 344.434 2.211 10 0 EEAELP CCn1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001271014194 1185814338 /nfs/dbraw/zinc/81/43/38/1185814338.db2.gz VHNHSAWCJLINBK-CYBMUJFWSA-N 2 2 340.431 2.030 10 0 EEAELP C[C@@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271036654 1185832018 /nfs/dbraw/zinc/83/20/18/1185832018.db2.gz WYOPRLBREANMPH-ZDUSSCGKSA-N 2 2 341.390 2.119 10 0 EEAELP COC[C@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001482454918 1185867346 /nfs/dbraw/zinc/86/73/46/1185867346.db2.gz WXYWAOHIRSVQJK-DOTOQJQBSA-N 2 2 349.475 2.028 10 0 EEAELP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1[NH2+]CCCCCF ZINC001271416608 1186203257 /nfs/dbraw/zinc/20/32/57/1186203257.db2.gz MLNUIFMDERXKGS-HOTGVXAUSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]Cc3ccns3)ccn12 ZINC001272781124 1193495857 /nfs/dbraw/zinc/49/58/57/1193495857.db2.gz FPMBYBRQWSBZLF-LBPRGKRZSA-N 2 2 343.456 2.397 10 0 EEAELP Cc1conc1C[NH2+]CC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482831678 1187751747 /nfs/dbraw/zinc/75/17/47/1187751747.db2.gz BLQASRJCYJEKOL-CYBMUJFWSA-N 2 2 341.415 2.237 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C/C[NH2+]Cc2ccsc2)c[nH+]1 ZINC001483021322 1188009788 /nfs/dbraw/zinc/00/97/88/1188009788.db2.gz BIYUIECVRVVGCW-SNAWJCMRSA-N 2 2 332.473 2.450 10 0 EEAELP O=C(NCC=CC[NH2+]Cc1ccns1)c1cc2c[nH+]ccc2[nH]1 ZINC001483021563 1188010956 /nfs/dbraw/zinc/01/09/56/1188010956.db2.gz DZNIXTJQTFVRGP-UPHRSURJSA-N 2 2 327.413 2.095 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001483026287 1188031498 /nfs/dbraw/zinc/03/14/98/1188031498.db2.gz IFMCRHBSEITEIJ-DCKQQPRJSA-N 2 2 338.455 2.216 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)CCc1[nH+]ccn1C ZINC001483037365 1188069587 /nfs/dbraw/zinc/06/95/87/1188069587.db2.gz NYWKJNNBAUSGOI-ARJAWSKDSA-N 2 2 344.434 2.262 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001483046497 1188257986 /nfs/dbraw/zinc/25/79/86/1188257986.db2.gz RSFNKMTWFLMIPQ-OWOJBTEDSA-N 2 2 337.427 2.217 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1)c1ccc2c(c1)CCC2 ZINC001483064471 1188385496 /nfs/dbraw/zinc/38/54/96/1188385496.db2.gz KCENVEIGOAZVKR-MPNWYJEXSA-N 2 2 338.455 2.464 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C)c1ccccc1F ZINC001483083291 1188444626 /nfs/dbraw/zinc/44/46/26/1188444626.db2.gz GSNOJFJFUUQSHI-GXMNPTEKSA-N 2 2 330.407 2.125 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272838220 1193571358 /nfs/dbraw/zinc/57/13/58/1193571358.db2.gz SRFTUQQAKATUMX-NILFDRSVSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272838220 1193571360 /nfs/dbraw/zinc/57/13/60/1193571360.db2.gz SRFTUQQAKATUMX-NILFDRSVSA-N 2 2 348.397 2.476 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2cncc(F)c2)c[nH+]1 ZINC001272855794 1193578833 /nfs/dbraw/zinc/57/88/33/1193578833.db2.gz UGBPQGVTTJDBGJ-ZDUSSCGKSA-N 2 2 347.438 2.145 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272865532 1193583490 /nfs/dbraw/zinc/58/34/90/1193583490.db2.gz MCGSXQYAJRHZSA-ZFWWWQNUSA-N 2 2 344.459 2.476 10 0 EEAELP Cc1ccc(CC[NH2+][C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001409399801 1189624953 /nfs/dbraw/zinc/62/49/53/1189624953.db2.gz WOPOJWLRAOTUCW-SJORKVTESA-N 2 2 328.460 2.307 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001409420080 1189648859 /nfs/dbraw/zinc/64/88/59/1189648859.db2.gz MCIATCISYJEOLX-UONOGXRCSA-N 2 2 332.423 2.093 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001485923983 1193641867 /nfs/dbraw/zinc/64/18/67/1193641867.db2.gz QFJPHYOZXSPZAJ-CGTJXYLNSA-N 2 2 340.471 2.469 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1sccc1Cl ZINC001409496620 1189892000 /nfs/dbraw/zinc/89/20/00/1189892000.db2.gz CAPFYCYYNSLBCQ-AAEUAGOBSA-N 2 2 329.897 2.432 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1sccc1Cl ZINC001409496620 1189892005 /nfs/dbraw/zinc/89/20/05/1189892005.db2.gz CAPFYCYYNSLBCQ-AAEUAGOBSA-N 2 2 329.897 2.432 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1sccc1Cl ZINC001409496620 1189892011 /nfs/dbraw/zinc/89/20/11/1189892011.db2.gz CAPFYCYYNSLBCQ-AAEUAGOBSA-N 2 2 329.897 2.432 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1sccc1Cl ZINC001409496620 1189892013 /nfs/dbraw/zinc/89/20/13/1189892013.db2.gz CAPFYCYYNSLBCQ-AAEUAGOBSA-N 2 2 329.897 2.432 10 0 EEAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001485944509 1193654197 /nfs/dbraw/zinc/65/41/97/1193654197.db2.gz OHPJVPNTPBLEQA-GFCCVEGCSA-N 2 2 349.866 2.372 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)Cc1cc(C2CC2)no1 ZINC001409602041 1190091799 /nfs/dbraw/zinc/09/17/99/1190091799.db2.gz XYSLLTUZPDGDEX-AWEZNQCLSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001409602041 1190091802 /nfs/dbraw/zinc/09/18/02/1190091802.db2.gz XYSLLTUZPDGDEX-AWEZNQCLSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1cncc(F)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483354605 1190391856 /nfs/dbraw/zinc/39/18/56/1190391856.db2.gz XKDPAORPDIOECQ-LBPRGKRZSA-N 2 2 341.390 2.347 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1cncc(F)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483354605 1190391859 /nfs/dbraw/zinc/39/18/59/1190391859.db2.gz XKDPAORPDIOECQ-LBPRGKRZSA-N 2 2 341.390 2.347 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001483476962 1190499139 /nfs/dbraw/zinc/49/91/39/1190499139.db2.gz MDLXBXOCSMFQPM-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1C(F)(F)F ZINC001483676059 1190735372 /nfs/dbraw/zinc/73/53/72/1190735372.db2.gz HIKVPIRERZHTLX-CQSZACIVSA-N 2 2 343.393 2.348 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1C(F)(F)F ZINC001483676059 1190735374 /nfs/dbraw/zinc/73/53/74/1190735374.db2.gz HIKVPIRERZHTLX-CQSZACIVSA-N 2 2 343.393 2.348 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)ccc1C ZINC001483680638 1190741645 /nfs/dbraw/zinc/74/16/45/1190741645.db2.gz FQQDFDKWYZJWRY-QAPCUYQASA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[N@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)ccc1C ZINC001483680638 1190741646 /nfs/dbraw/zinc/74/16/46/1190741646.db2.gz FQQDFDKWYZJWRY-QAPCUYQASA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[NH+]2CC[C@H]2CNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001483680638 1190741647 /nfs/dbraw/zinc/74/16/47/1190741647.db2.gz FQQDFDKWYZJWRY-QAPCUYQASA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)ccc1C ZINC001483680638 1190741649 /nfs/dbraw/zinc/74/16/49/1190741649.db2.gz FQQDFDKWYZJWRY-QAPCUYQASA-N 2 2 345.487 2.036 10 0 EEAELP CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001272313901 1190758509 /nfs/dbraw/zinc/75/85/09/1190758509.db2.gz ZIYHRHMISIUMIC-DOTOQJQBSA-N 2 2 328.460 2.470 10 0 EEAELP CCCc1nc(C)c(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)o1 ZINC001484072198 1191192858 /nfs/dbraw/zinc/19/28/58/1191192858.db2.gz RSMRMHPMMUVJPB-IBGZPJMESA-N 2 2 348.491 2.112 10 0 EEAELP CCCc1nc(C)c(C[N@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)o1 ZINC001484072198 1191192859 /nfs/dbraw/zinc/19/28/59/1191192859.db2.gz RSMRMHPMMUVJPB-IBGZPJMESA-N 2 2 348.491 2.112 10 0 EEAELP C[C@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001484098825 1191210168 /nfs/dbraw/zinc/21/01/68/1191210168.db2.gz AXUAKZUCDCTKJA-IYJYMYCHSA-N 2 2 336.867 2.026 10 0 EEAELP O=C(c1cccc2[nH+]ccn21)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001484529381 1191399830 /nfs/dbraw/zinc/39/98/30/1191399830.db2.gz KZUMHQCAURQCAU-MRXNPFEDSA-N 2 2 349.438 2.371 10 0 EEAELP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001484639724 1191454501 /nfs/dbraw/zinc/45/45/01/1191454501.db2.gz BTXLWINRNMRIKD-QDLOVBKTSA-N 2 2 330.476 2.430 10 0 EEAELP CN(CCC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761500 1191502279 /nfs/dbraw/zinc/50/22/79/1191502279.db2.gz VWTJRBBPNMQDLX-LBPRGKRZSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761500 1191502280 /nfs/dbraw/zinc/50/22/80/1191502280.db2.gz VWTJRBBPNMQDLX-LBPRGKRZSA-N 2 2 347.290 2.316 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@@H](C)CCNC(=O)CCn2cc[nH+]c2)c1 ZINC001484996611 1191607175 /nfs/dbraw/zinc/60/71/75/1191607175.db2.gz XFJJHNGBLAOAPV-HNNXBMFYSA-N 2 2 332.423 2.405 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccsc1 ZINC001485165570 1191676465 /nfs/dbraw/zinc/67/64/65/1191676465.db2.gz YERBZSWPRDECQK-CHWSQXEVSA-N 2 2 333.457 2.377 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(C2CC2)no1 ZINC001485309351 1191727825 /nfs/dbraw/zinc/72/78/25/1191727825.db2.gz KKGURKGMVXHRCV-KSSFIOAISA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(C2CC2)no1 ZINC001485309351 1191727826 /nfs/dbraw/zinc/72/78/26/1191727826.db2.gz KKGURKGMVXHRCV-KSSFIOAISA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(C2CC2)no1 ZINC001485309351 1191727827 /nfs/dbraw/zinc/72/78/27/1191727827.db2.gz KKGURKGMVXHRCV-KSSFIOAISA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001485309351 1191727828 /nfs/dbraw/zinc/72/78/28/1191727828.db2.gz KKGURKGMVXHRCV-KSSFIOAISA-N 2 2 348.491 2.363 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CCN(C)C(=O)Cn2cc[nH+]c2)C(C)C)sn1 ZINC001485439394 1191785440 /nfs/dbraw/zinc/78/54/40/1191785440.db2.gz JXOJLOFXIKYHCC-INIZCTEOSA-N 2 2 349.504 2.311 10 0 EEAELP Cc1cc(C[N@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)no1 ZINC001486513644 1194032948 /nfs/dbraw/zinc/03/29/48/1194032948.db2.gz VHHIUUDVGBECRX-UHFFFAOYSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1cc(C[N@@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)no1 ZINC001486513644 1194032951 /nfs/dbraw/zinc/03/29/51/1194032951.db2.gz VHHIUUDVGBECRX-UHFFFAOYSA-N 2 2 346.475 2.106 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273044282 1194348739 /nfs/dbraw/zinc/34/87/39/1194348739.db2.gz KSJXBCDSCNPRJJ-OLZOCXBDSA-N 2 2 328.407 2.262 10 0 EEAELP CC[C@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001410226715 1197618398 /nfs/dbraw/zinc/61/83/98/1197618398.db2.gz YCUZHLFLLBTUIW-JYJNAYRXSA-N 2 2 346.450 2.418 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C2)sn1 ZINC001410972245 1198650127 /nfs/dbraw/zinc/65/01/27/1198650127.db2.gz XUGFUCNCSSCARB-HUUCEWRRSA-N 2 2 347.488 2.113 10 0 EEAELP Cc1nocc1C[N@@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001411195089 1198891773 /nfs/dbraw/zinc/89/17/73/1198891773.db2.gz OKXAADPHSMKDEJ-UHFFFAOYSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1nocc1C[N@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001411195089 1198891778 /nfs/dbraw/zinc/89/17/78/1198891778.db2.gz OKXAADPHSMKDEJ-UHFFFAOYSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1nocc1C[NH+](C)CCN(C(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001411195089 1198891784 /nfs/dbraw/zinc/89/17/84/1198891784.db2.gz OKXAADPHSMKDEJ-UHFFFAOYSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1nocc1C[NH+](C)CCN(C(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001411195089 1198891791 /nfs/dbraw/zinc/89/17/91/1198891791.db2.gz OKXAADPHSMKDEJ-UHFFFAOYSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870891227 1200934789 /nfs/dbraw/zinc/93/47/89/1200934789.db2.gz XAHJEIXRCFCIIR-UHFFFAOYSA-N 2 2 343.471 2.298 10 0 EEAELP COCC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001691726980 1204227227 /nfs/dbraw/zinc/22/72/27/1204227227.db2.gz RURKDMLPSMHVCL-UHFFFAOYSA-N 2 2 332.448 2.119 10 0 EEAELP COCC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001691726980 1204227230 /nfs/dbraw/zinc/22/72/30/1204227230.db2.gz RURKDMLPSMHVCL-UHFFFAOYSA-N 2 2 332.448 2.119 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001274533980 1205070063 /nfs/dbraw/zinc/07/00/63/1205070063.db2.gz HKAJFBNQNNEETC-SFAKSCPVSA-N 2 2 340.418 2.348 10 0 EEAELP CC(C)OCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275449696 1205365979 /nfs/dbraw/zinc/36/59/79/1205365979.db2.gz AZFZLHYCIJTHAI-GJZGRUSLSA-N 2 2 332.448 2.246 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)oc1C ZINC001276075623 1205762602 /nfs/dbraw/zinc/76/26/02/1205762602.db2.gz ALPLQUOUHITSAO-UHFFFAOYSA-N 2 2 341.415 2.420 10 0 EEAELP c1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)cc(COC2CCOCC2)c1 ZINC000925478099 1206117585 /nfs/dbraw/zinc/11/75/85/1206117585.db2.gz MFPMHFJPXMMRCU-GBMAXXPESA-N 2 2 342.483 2.468 10 0 EEAELP Fc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)N2CCOCC2)cc1 ZINC000925501668 1206119988 /nfs/dbraw/zinc/11/99/88/1206119988.db2.gz BQDQCMZMOSBGQP-ZWKOTPCHSA-N 2 2 333.451 2.073 10 0 EEAELP O=C(CCc1ccccc1)N1CC[C@@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925551548 1206126408 /nfs/dbraw/zinc/12/64/08/1206126408.db2.gz HLJJMWKIPONLQG-MSOLQXFVSA-N 2 2 327.472 2.094 10 0 EEAELP [NH3+][C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[C@@H]1C(F)(F)F ZINC000926043266 1206185343 /nfs/dbraw/zinc/18/53/43/1206185343.db2.gz UMGZBGNLEHMIMV-WDEREUQCSA-N 2 2 327.310 2.078 10 0 EEAELP CC[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000928651952 1206407727 /nfs/dbraw/zinc/40/77/27/1206407727.db2.gz VMQAPTMRCWCMEU-INIZCTEOSA-N 2 2 344.459 2.131 10 0 EEAELP CC[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754081 1206498331 /nfs/dbraw/zinc/49/83/31/1206498331.db2.gz IQFAMGCAKUCIJD-QYZOEREBSA-N 2 2 345.487 2.424 10 0 EEAELP CC[N@@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754081 1206498332 /nfs/dbraw/zinc/49/83/32/1206498332.db2.gz IQFAMGCAKUCIJD-QYZOEREBSA-N 2 2 345.487 2.424 10 0 EEAELP O=C(CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1)Nc1ccc(F)cc1 ZINC000931290476 1206622601 /nfs/dbraw/zinc/62/26/01/1206622601.db2.gz XXGYIIOFCFLKCC-UHFFFAOYSA-N 2 2 349.450 2.341 10 0 EEAELP O=C(CC[NH+]1CCC([N@H+]2CCCOCC2)CC1)Nc1ccc(F)cc1 ZINC000931290476 1206622602 /nfs/dbraw/zinc/62/26/02/1206622602.db2.gz XXGYIIOFCFLKCC-UHFFFAOYSA-N 2 2 349.450 2.341 10 0 EEAELP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902959001 1239194364 /nfs/dbraw/zinc/19/43/64/1239194364.db2.gz AHCWGPWDOTWTFG-ZYSHUDEJSA-N 2 2 345.443 2.343 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C1(S(C)(=O)=O)CC1 ZINC000902986501 1239270196 /nfs/dbraw/zinc/27/01/96/1239270196.db2.gz BPAGKZVYUWALTC-UONOGXRCSA-N 2 2 333.457 2.489 10 0 EEAELP COc1c(C)cc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1C ZINC000903888655 1242340036 /nfs/dbraw/zinc/34/00/36/1242340036.db2.gz IBXAMKHNLBYYGX-QGZVFWFLSA-N 2 2 343.475 2.460 10 0 EEAELP COc1c(C)cc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1C ZINC000903888655 1242340044 /nfs/dbraw/zinc/34/00/44/1242340044.db2.gz IBXAMKHNLBYYGX-QGZVFWFLSA-N 2 2 343.475 2.460 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cnn1C ZINC000903892951 1242358510 /nfs/dbraw/zinc/35/85/10/1242358510.db2.gz YUVCIWYKBXOBTQ-XAUMDUMWSA-N 2 2 342.487 2.308 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](c3ccccc3)OC[C@@H]2C)cnn1C ZINC000903892951 1242358518 /nfs/dbraw/zinc/35/85/18/1242358518.db2.gz YUVCIWYKBXOBTQ-XAUMDUMWSA-N 2 2 342.487 2.308 10 0 EEAELP CCCCOCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491030056 1258587879 /nfs/dbraw/zinc/58/78/79/1258587879.db2.gz NRNKYVVEYIGWOW-GASCZTMLSA-N 2 2 330.432 2.230 10 0 EEAELP CCc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)c1 ZINC001491038391 1258604627 /nfs/dbraw/zinc/60/46/27/1258604627.db2.gz IJBSSMPTUBRIDH-HDICACEKSA-N 2 2 340.471 2.352 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001273466519 1278558573 /nfs/dbraw/zinc/55/85/73/1278558573.db2.gz HOCHDLZSKSCOMS-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001273468981 1278560826 /nfs/dbraw/zinc/56/08/26/1278560826.db2.gz XYMLPBWPGYSLGV-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000851762888 1277745876 /nfs/dbraw/zinc/74/58/76/1277745876.db2.gz BTYHYBXPBJHXHP-MRXNPFEDSA-N 2 2 343.512 2.019 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000851762888 1277745884 /nfs/dbraw/zinc/74/58/84/1277745884.db2.gz BTYHYBXPBJHXHP-MRXNPFEDSA-N 2 2 343.512 2.019 10 0 EEAELP CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647036 1286320704 /nfs/dbraw/zinc/32/07/04/1286320704.db2.gz CGOYAJPHVVWHFY-QZTJIDSGSA-N 2 2 344.503 2.283 10 0 EEAELP CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647036 1286320715 /nfs/dbraw/zinc/32/07/15/1286320715.db2.gz CGOYAJPHVVWHFY-QZTJIDSGSA-N 2 2 344.503 2.283 10 0 EEAELP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647036 1286320723 /nfs/dbraw/zinc/32/07/23/1286320723.db2.gz CGOYAJPHVVWHFY-QZTJIDSGSA-N 2 2 344.503 2.283 10 0 EEAELP CC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647036 1286320734 /nfs/dbraw/zinc/32/07/34/1286320734.db2.gz CGOYAJPHVVWHFY-QZTJIDSGSA-N 2 2 344.503 2.283 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001489122152 1290384625 /nfs/dbraw/zinc/38/46/25/1290384625.db2.gz BMVXHTKPBYNXJZ-DOTOQJQBSA-N 2 2 330.432 2.182 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1CC ZINC001489122152 1290384642 /nfs/dbraw/zinc/38/46/42/1290384642.db2.gz BMVXHTKPBYNXJZ-DOTOQJQBSA-N 2 2 330.432 2.182 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)CCc1ccccc1F ZINC001490273339 1291095577 /nfs/dbraw/zinc/09/55/77/1291095577.db2.gz LZUHDKBFBOCGAH-UHFFFAOYSA-N 2 2 332.423 2.081 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)CCc1ccccc1F ZINC001490273339 1291095592 /nfs/dbraw/zinc/09/55/92/1291095592.db2.gz LZUHDKBFBOCGAH-UHFFFAOYSA-N 2 2 332.423 2.081 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(C)cn3)C2)ccn1 ZINC000856587527 1293574921 /nfs/dbraw/zinc/57/49/21/1293574921.db2.gz ZECDQXNLQUTCIF-GOSISDBHSA-N 2 2 341.459 2.285 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(C)cn3)C2)ccn1 ZINC000856587527 1293574927 /nfs/dbraw/zinc/57/49/27/1293574927.db2.gz ZECDQXNLQUTCIF-GOSISDBHSA-N 2 2 341.459 2.285 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncc(C)cn3)C2)ccn1 ZINC000856587527 1293574935 /nfs/dbraw/zinc/57/49/35/1293574935.db2.gz ZECDQXNLQUTCIF-GOSISDBHSA-N 2 2 341.459 2.285 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncc(C)cn3)C2)ccn1 ZINC000856587527 1293574941 /nfs/dbraw/zinc/57/49/41/1293574941.db2.gz ZECDQXNLQUTCIF-GOSISDBHSA-N 2 2 341.459 2.285 10 0 EEAELP Cc1[nH+]ccn1CCC[N@@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856730132 1293609392 /nfs/dbraw/zinc/60/93/92/1293609392.db2.gz HUGOMRBGPUVMMO-UHFFFAOYSA-N 2 2 327.494 2.261 10 0 EEAELP Cc1[nH+]ccn1CCC[N@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856730132 1293609399 /nfs/dbraw/zinc/60/93/99/1293609399.db2.gz HUGOMRBGPUVMMO-UHFFFAOYSA-N 2 2 327.494 2.261 10 0 EEAELP Fc1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)ccn1 ZINC000858109680 1294009189 /nfs/dbraw/zinc/00/91/89/1294009189.db2.gz ZSHSVCIKXCPGHB-UHFFFAOYSA-N 2 2 345.418 2.222 10 0 EEAELP CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000861348609 1295354960 /nfs/dbraw/zinc/35/49/60/1295354960.db2.gz FYLSECACDIEYME-WMZOPIPTSA-N 2 2 329.400 2.138 10 0 EEAELP CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000861348609 1295354968 /nfs/dbraw/zinc/35/49/68/1295354968.db2.gz FYLSECACDIEYME-WMZOPIPTSA-N 2 2 329.400 2.138 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCCOC(C)C)CC3)ccn12 ZINC001277060240 1301105367 /nfs/dbraw/zinc/10/53/67/1301105367.db2.gz LGHLCJOGLRNTFN-UHFFFAOYSA-N 2 2 344.459 2.310 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001278263593 1308930502 /nfs/dbraw/zinc/93/05/02/1308930502.db2.gz KPGGDJZOQKHOHK-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001278263593 1308930504 /nfs/dbraw/zinc/93/05/04/1308930504.db2.gz KPGGDJZOQKHOHK-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP Cc1cn(C(C)(C)C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)c[nH+]1 ZINC001119515339 1309096605 /nfs/dbraw/zinc/09/66/05/1309096605.db2.gz DAYBEEOLGDDZCR-UHFFFAOYSA-N 2 2 341.459 2.317 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001278424999 1310206832 /nfs/dbraw/zinc/20/68/32/1310206832.db2.gz YIUBCYDRSIWVTK-YJBOKZPZSA-N 2 2 344.434 2.234 10 0 EEAELP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001276396924 1314695126 /nfs/dbraw/zinc/69/51/26/1314695126.db2.gz JXJWQVKQSCTHQO-JKSUJKDBSA-N 2 2 332.492 2.462 10 0 EEAELP CCN(OC)C(=O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000843433039 1315914946 /nfs/dbraw/zinc/91/49/46/1315914946.db2.gz ONYMYFASMLWYRN-INIZCTEOSA-N 2 2 333.476 2.082 10 0 EEAELP CCOCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278563584 1317242189 /nfs/dbraw/zinc/24/21/89/1317242189.db2.gz ATHNZDFEPXNVGG-NVXWUHKLSA-N 2 2 344.459 2.167 10 0 EEAELP COCCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC001278673648 1317640538 /nfs/dbraw/zinc/64/05/38/1317640538.db2.gz 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C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001280218160 1324119147 /nfs/dbraw/zinc/11/91/47/1324119147.db2.gz BLRYEEPCZKTOPJ-STQMWFEESA-N 2 2 346.397 2.369 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001280218160 1324119153 /nfs/dbraw/zinc/11/91/53/1324119153.db2.gz BLRYEEPCZKTOPJ-STQMWFEESA-N 2 2 346.397 2.369 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C3CC3)ccn12 ZINC001276587937 1324667685 /nfs/dbraw/zinc/66/76/85/1324667685.db2.gz CGDHKFJPXWAQNU-XCWSRWAASA-N 2 2 332.835 2.493 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CCCCCF ZINC001281685798 1325400054 /nfs/dbraw/zinc/40/00/54/1325400054.db2.gz MGPXYZNFXUFMRD-CVEARBPZSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CCCCCF ZINC001281685798 1325400059 /nfs/dbraw/zinc/40/00/59/1325400059.db2.gz MGPXYZNFXUFMRD-CVEARBPZSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001281748713 1325434851 /nfs/dbraw/zinc/43/48/51/1325434851.db2.gz CMUGLPPHEWRMHO-ZDUSSCGKSA-N 2 2 325.416 2.118 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001283068559 1325907181 /nfs/dbraw/zinc/90/71/81/1325907181.db2.gz UNOOCNLVUPMICZ-CTYIDZIISA-N 2 2 347.850 2.006 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCc2ccccc2)CN1C(=O)CCn1cc[nH+]c1 ZINC001283997968 1326355602 /nfs/dbraw/zinc/35/56/02/1326355602.db2.gz FKPIHYIPFVLZGO-IEBWSBKVSA-N 2 2 340.471 2.485 10 0 EEAELP COCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001284066419 1326390183 /nfs/dbraw/zinc/39/01/83/1326390183.db2.gz GPUJQOPLWXDOBS-VDZJLULYSA-N 2 2 348.491 2.128 10 0 EEAELP COCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001284066419 1326390185 /nfs/dbraw/zinc/39/01/85/1326390185.db2.gz GPUJQOPLWXDOBS-VDZJLULYSA-N 2 2 348.491 2.128 10 0 EEAELP COCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001284066419 1326390186 /nfs/dbraw/zinc/39/01/86/1326390186.db2.gz GPUJQOPLWXDOBS-VDZJLULYSA-N 2 2 348.491 2.128 10 0 EEAELP COCCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001284066419 1326390189 /nfs/dbraw/zinc/39/01/89/1326390189.db2.gz GPUJQOPLWXDOBS-VDZJLULYSA-N 2 2 348.491 2.128 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC=C(C)C)C1 ZINC001284188869 1326453550 /nfs/dbraw/zinc/45/35/50/1326453550.db2.gz JJGCDMXPWYOBJQ-WBVHZDCISA-N 2 2 331.460 2.473 10 0 EEAELP COc1cc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)ccc1C ZINC001491596872 1330179009 /nfs/dbraw/zinc/17/90/09/1330179009.db2.gz WMSIIGVJJCWVLQ-CVEARBPZSA-N 2 2 344.459 2.446 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccc(Cl)c1F ZINC001316869356 1331799005 /nfs/dbraw/zinc/79/90/05/1331799005.db2.gz SOZRRABYQDTCAV-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cccc(Cl)c1F ZINC001316869356 1331799008 /nfs/dbraw/zinc/79/90/08/1331799008.db2.gz SOZRRABYQDTCAV-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001316854115 1331936716 /nfs/dbraw/zinc/93/67/16/1331936716.db2.gz QQXOSIQYEJZPQP-CQSZACIVSA-N 2 2 343.475 2.238 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001316854115 1331936717 /nfs/dbraw/zinc/93/67/17/1331936717.db2.gz QQXOSIQYEJZPQP-CQSZACIVSA-N 2 2 343.475 2.238 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001316854115 1331936718 /nfs/dbraw/zinc/93/67/18/1331936718.db2.gz QQXOSIQYEJZPQP-CQSZACIVSA-N 2 2 343.475 2.238 10 0 EEAELP CCc1cnc(C[N@H+](C)CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)o1 ZINC001316871726 1331941817 /nfs/dbraw/zinc/94/18/17/1331941817.db2.gz ZMSOXHBWPYYEHC-GJZGRUSLSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)o1 ZINC001316871726 1331941818 /nfs/dbraw/zinc/94/18/18/1331941818.db2.gz ZMSOXHBWPYYEHC-GJZGRUSLSA-N 2 2 336.480 2.048 10 0 EEAELP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317046511 1332058658 /nfs/dbraw/zinc/05/86/58/1332058658.db2.gz XIEVIQCDCAYVHB-INIZCTEOSA-N 2 2 344.459 2.155 10 0 EEAELP COCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317046511 1332058660 /nfs/dbraw/zinc/05/86/60/1332058660.db2.gz XIEVIQCDCAYVHB-INIZCTEOSA-N 2 2 344.459 2.155 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001317059749 1332064896 /nfs/dbraw/zinc/06/48/96/1332064896.db2.gz YLQCXZAIEZCSLM-IRXDYDNUSA-N 2 2 330.476 2.216 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001317336981 1332184575 /nfs/dbraw/zinc/18/45/75/1332184575.db2.gz QKHKBTGRPTUWAU-FUHWJXTLSA-N 2 2 340.471 2.269 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001317336981 1332184576 /nfs/dbraw/zinc/18/45/76/1332184576.db2.gz QKHKBTGRPTUWAU-FUHWJXTLSA-N 2 2 340.471 2.269 10 0 EEAELP COCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317376596 1332204001 /nfs/dbraw/zinc/20/40/01/1332204001.db2.gz QTWUPVTUTWSZOX-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP COCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317376596 1332204003 /nfs/dbraw/zinc/20/40/03/1332204003.db2.gz QTWUPVTUTWSZOX-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)o1 ZINC001317642789 1332344494 /nfs/dbraw/zinc/34/44/94/1332344494.db2.gz UYIVLNUYTXBWTL-UHFFFAOYSA-N 2 2 336.480 2.078 10 0 EEAELP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)CCc2c[nH+]cn2C)n1 ZINC001317654951 1332351433 /nfs/dbraw/zinc/35/14/33/1332351433.db2.gz QYAUIYWDQGEEAS-UHFFFAOYSA-N 2 2 343.475 2.119 10 0 EEAELP COCC[NH2+][C@@H](C)C1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001317679019 1332366851 /nfs/dbraw/zinc/36/68/51/1332366851.db2.gz YZFACFGNCGXNGT-HNNXBMFYSA-N 2 2 333.476 2.484 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001317788029 1332409050 /nfs/dbraw/zinc/40/90/50/1332409050.db2.gz HXMGVIFINBZUKD-MRXNPFEDSA-N 2 2 331.460 2.427 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001317788029 1332409054 /nfs/dbraw/zinc/40/90/54/1332409054.db2.gz HXMGVIFINBZUKD-MRXNPFEDSA-N 2 2 331.460 2.427 10 0 EEAELP COCCC[N@@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317792553 1332410924 /nfs/dbraw/zinc/41/09/24/1332410924.db2.gz MKWGEPUGIDCZMR-KRWDZBQOSA-N 2 2 333.476 2.485 10 0 EEAELP COCCC[N@H+]1CC[C@H](CCNC(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001317792553 1332410928 /nfs/dbraw/zinc/41/09/28/1332410928.db2.gz MKWGEPUGIDCZMR-KRWDZBQOSA-N 2 2 333.476 2.485 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001317950058 1332450106 /nfs/dbraw/zinc/45/01/06/1332450106.db2.gz TWUPDGXPEXDTNI-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001317950058 1332450108 /nfs/dbraw/zinc/45/01/08/1332450108.db2.gz TWUPDGXPEXDTNI-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001317950058 1332450110 /nfs/dbraw/zinc/45/01/10/1332450110.db2.gz TWUPDGXPEXDTNI-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001317950058 1332450112 /nfs/dbraw/zinc/45/01/12/1332450112.db2.gz TWUPDGXPEXDTNI-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC1C[NH+](CCCCC(F)(F)F)C1 ZINC001318138560 1332477101 /nfs/dbraw/zinc/47/71/01/1332477101.db2.gz JSYJZWZWTFLRBC-UHFFFAOYSA-N 2 2 346.397 2.133 10 0 EEAELP CC[C@@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001318232425 1332493967 /nfs/dbraw/zinc/49/39/67/1332493967.db2.gz IHIQBKDZKXAJPK-IKGGRYGDSA-N 2 2 325.472 2.286 10 0 EEAELP CC[C@@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001318232425 1332493969 /nfs/dbraw/zinc/49/39/69/1332493969.db2.gz IHIQBKDZKXAJPK-IKGGRYGDSA-N 2 2 325.472 2.286 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CCc1ccccc1Cl ZINC001319256266 1332671750 /nfs/dbraw/zinc/67/17/50/1332671750.db2.gz CXTBSHVMAUTBBH-CYBMUJFWSA-N 2 2 334.851 2.190 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCOC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319477848 1332709229 /nfs/dbraw/zinc/70/92/29/1332709229.db2.gz QJPMFZJRVLTNMB-UONOGXRCSA-N 2 2 330.432 2.040 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320453669 1332887784 /nfs/dbraw/zinc/88/77/84/1332887784.db2.gz ITUTZFNEMIDMMO-IACUBPJLSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320453669 1332887789 /nfs/dbraw/zinc/88/77/89/1332887789.db2.gz ITUTZFNEMIDMMO-IACUBPJLSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001320470393 1332891475 /nfs/dbraw/zinc/89/14/75/1332891475.db2.gz SPFNGMJQVXWGQM-RDJZCZTQSA-N 2 2 326.444 2.130 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001320489084 1332896138 /nfs/dbraw/zinc/89/61/38/1332896138.db2.gz DHGCSKCIFBZLJO-AWEZNQCLSA-N 2 2 337.427 2.336 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccon1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001320502599 1332899351 /nfs/dbraw/zinc/89/93/51/1332899351.db2.gz KUZQPUIQAGLREO-CQSZACIVSA-N 2 2 339.399 2.159 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)CCc2c[nH]c[nH+]2)s1 ZINC001322541010 1333279110 /nfs/dbraw/zinc/27/91/10/1333279110.db2.gz WISNONSVFCSAFP-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)CCc2c[nH+]c[nH]2)s1 ZINC001322541010 1333279111 /nfs/dbraw/zinc/27/91/11/1333279111.db2.gz WISNONSVFCSAFP-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CCc1ccccc1)C1CCCC1 ZINC001324498114 1333696187 /nfs/dbraw/zinc/69/61/87/1333696187.db2.gz QDGZYXJCWJQMIS-LJQANCHMSA-N 2 2 340.471 2.460 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC001326325300 1334068663 /nfs/dbraw/zinc/06/86/63/1334068663.db2.gz IEVFPWGTTCIFRB-QGZVFWFLSA-N 2 2 341.459 2.005 10 0 EEAELP Cc1oncc1C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001326411386 1334087443 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2.178 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001673048510 1356637842 /nfs/dbraw/zinc/63/78/42/1356637842.db2.gz FKCJFULTSLEICL-MOPGFXCFSA-N 2 2 349.519 2.178 10 0 EEAELP CCCC[NH2+]CC1CC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001674542353 1356856655 /nfs/dbraw/zinc/85/66/55/1356856655.db2.gz RYBJKTXUHHWMNC-MQBCKMQZSA-N 2 2 333.480 2.075 10 0 EEAELP CCCC[NH2+]CC1CC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001674542353 1356856657 /nfs/dbraw/zinc/85/66/57/1356856657.db2.gz RYBJKTXUHHWMNC-MQBCKMQZSA-N 2 2 333.480 2.075 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001675801392 1357050377 /nfs/dbraw/zinc/05/03/77/1357050377.db2.gz BJQWXLRIFOYGSB-KBAYOESNSA-N 2 2 340.471 2.315 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001675801392 1357050381 /nfs/dbraw/zinc/05/03/81/1357050381.db2.gz BJQWXLRIFOYGSB-KBAYOESNSA-N 2 2 340.471 2.315 10 0 EEAELP 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ROPPHRHVXGYVDU-OAHLLOKOSA-N 2 2 343.475 2.348 10 0 EEAELP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001437613374 1090121198 /nfs/dbraw/zinc/12/11/98/1090121198.db2.gz BHLYDFZBRJBPNA-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](C)C[N@@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001437613374 1090121203 /nfs/dbraw/zinc/12/12/03/1090121203.db2.gz BHLYDFZBRJBPNA-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](C)C[NH+](CC)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001437613374 1090121206 /nfs/dbraw/zinc/12/12/06/1090121206.db2.gz BHLYDFZBRJBPNA-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](C)C[NH+](CC)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001437613374 1090121208 /nfs/dbraw/zinc/12/12/08/1090121208.db2.gz BHLYDFZBRJBPNA-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@H]1CCC(F)(F)C1 ZINC001437646101 1090166948 /nfs/dbraw/zinc/16/69/48/1090166948.db2.gz YODFVQCBJYLYMA-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@H]1CCC(F)(F)C1 ZINC001437646101 1090166954 /nfs/dbraw/zinc/16/69/54/1090166954.db2.gz YODFVQCBJYLYMA-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001437913354 1090495742 /nfs/dbraw/zinc/49/57/42/1090495742.db2.gz TUTSQKBSTAZOOI-SJORKVTESA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001437913354 1090495746 /nfs/dbraw/zinc/49/57/46/1090495746.db2.gz TUTSQKBSTAZOOI-SJORKVTESA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001437913354 1090495749 /nfs/dbraw/zinc/49/57/49/1090495749.db2.gz TUTSQKBSTAZOOI-SJORKVTESA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ocnc2C)C1 ZINC001437913354 1090495752 /nfs/dbraw/zinc/49/57/52/1090495752.db2.gz TUTSQKBSTAZOOI-SJORKVTESA-N 2 2 348.491 2.280 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(C)cc1 ZINC001438331653 1090806467 /nfs/dbraw/zinc/80/64/67/1090806467.db2.gz BMLAGVKUGUMJES-ZWKOTPCHSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001438540871 1091031478 /nfs/dbraw/zinc/03/14/78/1091031478.db2.gz IKUQNQZIYNEJSN-ZBEGNZNMSA-N 2 2 348.397 2.260 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)on1 ZINC001438641540 1091122760 /nfs/dbraw/zinc/12/27/60/1091122760.db2.gz KNMRUATUSOHNFD-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001438685006 1091182966 /nfs/dbraw/zinc/18/29/66/1091182966.db2.gz FQBGOXGZEZNTEJ-DZGCQCFKSA-N 2 2 343.475 2.237 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001438685006 1091182973 /nfs/dbraw/zinc/18/29/73/1091182973.db2.gz FQBGOXGZEZNTEJ-DZGCQCFKSA-N 2 2 343.475 2.237 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001438835153 1091459554 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337.439 2.209 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cscn1 ZINC001447906217 1103565456 /nfs/dbraw/zinc/56/54/56/1103565456.db2.gz YPYRCBSJZDCVDI-CHWSQXEVSA-N 2 2 335.477 2.111 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001494864874 1104471614 /nfs/dbraw/zinc/47/16/14/1104471614.db2.gz URYQZMWDXCOGSR-CYBMUJFWSA-N 2 2 346.397 2.228 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001494864874 1104471619 /nfs/dbraw/zinc/47/16/19/1104471619.db2.gz URYQZMWDXCOGSR-CYBMUJFWSA-N 2 2 346.397 2.228 10 0 EEAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cncc(F)c1 ZINC001495025830 1104668018 /nfs/dbraw/zinc/66/80/18/1104668018.db2.gz ZUPQLICKSPFACS-OAHLLOKOSA-N 2 2 341.390 2.167 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498123009 1106950968 /nfs/dbraw/zinc/95/09/68/1106950968.db2.gz VTGAUHVFLVNERB-MEDUHNTESA-N 2 2 332.835 2.387 10 0 EEAELP COCCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498281462 1107206579 /nfs/dbraw/zinc/20/65/79/1107206579.db2.gz CVACYXFTZAIMEZ-CQSZACIVSA-N 2 2 332.448 2.119 10 0 EEAELP COCCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498281462 1107206588 /nfs/dbraw/zinc/20/65/88/1107206588.db2.gz CVACYXFTZAIMEZ-CQSZACIVSA-N 2 2 332.448 2.119 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498323700 1107292518 /nfs/dbraw/zinc/29/25/18/1107292518.db2.gz GCRDDKFQYFEQGA-OAHLLOKOSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498323700 1107292525 /nfs/dbraw/zinc/29/25/25/1107292525.db2.gz GCRDDKFQYFEQGA-OAHLLOKOSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498323700 1107292532 /nfs/dbraw/zinc/29/25/32/1107292532.db2.gz GCRDDKFQYFEQGA-OAHLLOKOSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001498323700 1107292540 /nfs/dbraw/zinc/29/25/40/1107292540.db2.gz GCRDDKFQYFEQGA-OAHLLOKOSA-N 2 2 349.523 2.010 10 0 EEAELP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C[C@H]1CC(C)(C)CO1 ZINC001493025749 1107329445 /nfs/dbraw/zinc/32/94/45/1107329445.db2.gz UAIQVWZUKSCRLB-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C[C@H]1CC(C)(C)CO1 ZINC001493025749 1107329460 /nfs/dbraw/zinc/32/94/60/1107329460.db2.gz UAIQVWZUKSCRLB-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP COc1cccc([C@H](C)[N@@H+]2CC[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001493241571 1107755877 /nfs/dbraw/zinc/75/58/77/1107755877.db2.gz UYYPVYPPTQTJPG-GJZGRUSLSA-N 2 2 342.443 2.160 10 0 EEAELP COc1cccc([C@H](C)[N@H+]2CC[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001493241571 1107755891 /nfs/dbraw/zinc/75/58/91/1107755891.db2.gz UYYPVYPPTQTJPG-GJZGRUSLSA-N 2 2 342.443 2.160 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1nccs1 ZINC001493289944 1107863484 /nfs/dbraw/zinc/86/34/84/1107863484.db2.gz DKPOUHMSWBJEEN-LSDHHAIUSA-N 2 2 338.521 2.202 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1nccs1 ZINC001493289944 1107863499 /nfs/dbraw/zinc/86/34/99/1107863499.db2.gz DKPOUHMSWBJEEN-LSDHHAIUSA-N 2 2 338.521 2.202 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)Cc1nccs1 ZINC001493289944 1107863517 /nfs/dbraw/zinc/86/35/17/1107863517.db2.gz DKPOUHMSWBJEEN-LSDHHAIUSA-N 2 2 338.521 2.202 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)Cc1nccs1 ZINC001493289944 1107863534 /nfs/dbraw/zinc/86/35/34/1107863534.db2.gz DKPOUHMSWBJEEN-LSDHHAIUSA-N 2 2 338.521 2.202 10 0 EEAELP CC1(C)CC(C[NH2+]C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C2CC2)C1 ZINC001498781358 1108090675 /nfs/dbraw/zinc/09/06/75/1108090675.db2.gz BLUNLNSTPQKYJV-AEFFLSMTSA-N 2 2 344.503 2.366 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](CCNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001493429133 1108142122 /nfs/dbraw/zinc/14/21/22/1108142122.db2.gz SHHQTJJQODKWHP-CQSZACIVSA-N 2 2 342.443 2.303 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](CCNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001493429133 1108142129 /nfs/dbraw/zinc/14/21/29/1108142129.db2.gz SHHQTJJQODKWHP-CQSZACIVSA-N 2 2 342.443 2.303 10 0 EEAELP C[C@@H]([NH2+]CC[C@H]1CCCCO1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001493842314 1108726437 /nfs/dbraw/zinc/72/64/37/1108726437.db2.gz DBHPAOXIOVXMHV-NVXWUHKLSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(NCC1([NH2+]C/C=C/Cl)CCOCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001500573768 1112950320 /nfs/dbraw/zinc/95/03/20/1112950320.db2.gz LFXLEWSKXDIJSX-ORCRQEGFSA-N 2 2 348.834 2.184 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2F)C1 ZINC001501654858 1113416982 /nfs/dbraw/zinc/41/69/82/1113416982.db2.gz ICTCMOYIAMLSKG-AWEZNQCLSA-N 2 2 348.397 2.190 10 0 EEAELP CN(CCC[N@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001502384949 1113657739 /nfs/dbraw/zinc/65/77/39/1113657739.db2.gz DMZYGSYUTCXSEQ-LBPRGKRZSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CCC[N@@H+](C)CC[C@H]1CC1(Cl)Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001502384949 1113657742 /nfs/dbraw/zinc/65/77/42/1113657742.db2.gz DMZYGSYUTCXSEQ-LBPRGKRZSA-N 2 2 347.290 2.316 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC001505522577 1114033908 /nfs/dbraw/zinc/03/39/08/1114033908.db2.gz ASAUNVAYBVKFON-OOHWJJMZSA-N 2 2 326.444 2.273 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC001505522577 1114033911 /nfs/dbraw/zinc/03/39/11/1114033911.db2.gz ASAUNVAYBVKFON-OOHWJJMZSA-N 2 2 326.444 2.273 10 0 EEAELP Cc1csc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn2cc[nH+]c2C)n1 ZINC001505709818 1114144541 /nfs/dbraw/zinc/14/45/41/1114144541.db2.gz JPRJJLZZBUSSES-ZIAGYGMSSA-N 2 2 349.504 2.420 10 0 EEAELP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001507016290 1115055906 /nfs/dbraw/zinc/05/59/06/1115055906.db2.gz WBBYNLWNSYQUJA-ZWKOTPCHSA-N 2 2 344.503 2.462 10 0 EEAELP CC[NH+](CC)CCSCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC001542298140 1124112271 /nfs/dbraw/zinc/11/22/71/1124112271.db2.gz RYOOWJXTBUYVFC-HNNXBMFYSA-N 2 2 340.537 2.489 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001568077057 1124282205 /nfs/dbraw/zinc/28/22/05/1124282205.db2.gz VQLAEJGWPPMPBQ-MRXNPFEDSA-N 2 2 344.434 2.441 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]C[C@@H]2CCCCO2)CC1 ZINC001568098321 1124301145 /nfs/dbraw/zinc/30/11/45/1124301145.db2.gz DTPVMCUNISMPKK-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1Cl ZINC001568153390 1124329044 /nfs/dbraw/zinc/32/90/44/1124329044.db2.gz UJSPCECTUFRJLP-MRXNPFEDSA-N 2 2 346.862 2.360 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001568516009 1124579384 /nfs/dbraw/zinc/57/93/84/1124579384.db2.gz RZRTVDFVHRZVAS-DOTOQJQBSA-N 2 2 336.455 2.025 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCCCCF)C1 ZINC001568516009 1124579391 /nfs/dbraw/zinc/57/93/91/1124579391.db2.gz RZRTVDFVHRZVAS-DOTOQJQBSA-N 2 2 336.455 2.025 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001568535751 1124597858 /nfs/dbraw/zinc/59/78/58/1124597858.db2.gz GWQSSWSLHCPELC-HKUYNNGSSA-N 2 2 340.471 2.378 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001568925863 1124954390 /nfs/dbraw/zinc/95/43/90/1124954390.db2.gz XRSSSTSZKBBSLN-KROLTMCQSA-N 2 2 342.418 2.431 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001568931435 1124964070 /nfs/dbraw/zinc/96/40/70/1124964070.db2.gz AJZNCAWOSUQUMB-HSWBROFVSA-N 2 2 330.407 2.190 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1 ZINC001568931435 1124964079 /nfs/dbraw/zinc/96/40/79/1124964079.db2.gz AJZNCAWOSUQUMB-HSWBROFVSA-N 2 2 330.407 2.190 10 0 EEAELP C[C@@H](C[NH2+]CCOc1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569064774 1125074450 /nfs/dbraw/zinc/07/44/50/1125074450.db2.gz ODBBBZSPRHKFQX-AWEZNQCLSA-N 2 2 338.411 2.350 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001569072201 1125081690 /nfs/dbraw/zinc/08/16/90/1125081690.db2.gz QJGQWXZNIHTTDL-WMZOPIPTSA-N 2 2 340.471 2.488 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000188521850 539621473 /nfs/dbraw/zinc/62/14/73/539621473.db2.gz OFAMGOSQEDWKJY-UHFFFAOYSA-N 2 2 327.432 2.123 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000188521850 539621480 /nfs/dbraw/zinc/62/14/80/539621480.db2.gz OFAMGOSQEDWKJY-UHFFFAOYSA-N 2 2 327.432 2.123 10 0 EEAELP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000422932663 240297111 /nfs/dbraw/zinc/29/71/11/240297111.db2.gz GIHLJOLQZMFJEC-NSHDSACASA-N 2 2 339.848 2.272 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCc2cnn(C)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000422912471 240287138 /nfs/dbraw/zinc/28/71/38/240287138.db2.gz WFUGJBKVEXKZFK-RTBURBONSA-N 2 2 328.460 2.444 10 0 EEAELP C[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1nc(-c2ccccc2)no1 ZINC000423011945 240329720 /nfs/dbraw/zinc/32/97/20/240329720.db2.gz JROHXDPUMWVERC-COXVUDFISA-N 2 2 342.443 2.197 10 0 EEAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422963300 240312008 /nfs/dbraw/zinc/31/20/08/240312008.db2.gz FMRIJYXIMLEZGR-FZMZJTMJSA-N 2 2 326.366 2.487 10 0 EEAELP CC(C)[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1COC1 ZINC000451119385 243006177 /nfs/dbraw/zinc/00/61/77/243006177.db2.gz DELHGQNTAWOXHG-KRWDZBQOSA-N 2 2 345.487 2.001 10 0 EEAELP CC(C)[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1COC1 ZINC000451119385 243006183 /nfs/dbraw/zinc/00/61/83/243006183.db2.gz DELHGQNTAWOXHG-KRWDZBQOSA-N 2 2 345.487 2.001 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246658348 243286680 /nfs/dbraw/zinc/28/66/80/243286680.db2.gz OXHVAYNUINNJOO-IKGGRYGDSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246658348 243286684 /nfs/dbraw/zinc/28/66/84/243286684.db2.gz OXHVAYNUINNJOO-IKGGRYGDSA-N 2 2 333.480 2.178 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459395800 245103525 /nfs/dbraw/zinc/10/35/25/245103525.db2.gz BPXXVPWGFSSTSR-HKUYNNGSSA-N 2 2 347.503 2.112 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459395800 245103529 /nfs/dbraw/zinc/10/35/29/245103529.db2.gz BPXXVPWGFSSTSR-HKUYNNGSSA-N 2 2 347.503 2.112 10 0 EEAELP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000095364970 218297975 /nfs/dbraw/zinc/29/79/75/218297975.db2.gz LGYUEWZQAKVYLN-GFCCVEGCSA-N 2 2 333.461 2.158 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246741681 296344284 /nfs/dbraw/zinc/34/42/84/296344284.db2.gz MTDKEXLSCBSVDP-BDXSIMOUSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246741681 296344286 /nfs/dbraw/zinc/34/42/86/296344286.db2.gz MTDKEXLSCBSVDP-BDXSIMOUSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246741681 296344287 /nfs/dbraw/zinc/34/42/87/296344287.db2.gz MTDKEXLSCBSVDP-BDXSIMOUSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246741681 296344291 /nfs/dbraw/zinc/34/42/91/296344291.db2.gz MTDKEXLSCBSVDP-BDXSIMOUSA-N 2 2 339.524 2.112 10 0 EEAELP CCCCNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195262135 256008107 /nfs/dbraw/zinc/00/81/07/256008107.db2.gz FYLYAUKEARPNKP-HNNXBMFYSA-N 2 2 338.521 2.122 10 0 EEAELP CCCCNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195262135 256008109 /nfs/dbraw/zinc/00/81/09/256008109.db2.gz FYLYAUKEARPNKP-HNNXBMFYSA-N 2 2 338.521 2.122 10 0 EEAELP CCCCNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195262135 256008113 /nfs/dbraw/zinc/00/81/13/256008113.db2.gz FYLYAUKEARPNKP-HNNXBMFYSA-N 2 2 338.521 2.122 10 0 EEAELP C[NH+]1CCC(CC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000273226131 256277924 /nfs/dbraw/zinc/27/79/24/256277924.db2.gz NXLMOZUMOORURT-UHFFFAOYSA-N 2 2 330.476 2.420 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000273456470 256298072 /nfs/dbraw/zinc/29/80/72/256298072.db2.gz DTUOAAZBVFKZOG-UHFFFAOYSA-N 2 2 339.443 2.463 10 0 EEAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(N2CCOC2=O)cc1 ZINC000153142063 533427175 /nfs/dbraw/zinc/42/71/75/533427175.db2.gz MPFQQRIIZFZWMQ-JKSUJKDBSA-N 2 2 347.459 2.262 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000177564805 140847632 /nfs/dbraw/zinc/84/76/32/140847632.db2.gz ZARCJEPCQOFMIA-KRWDZBQOSA-N 2 2 333.480 2.179 10 0 EEAELP CC[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000252736533 160393246 /nfs/dbraw/zinc/39/32/46/160393246.db2.gz XAVOXRUSOQIZBP-AEFFLSMTSA-N 2 2 337.414 2.311 10 0 EEAELP CC[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000252736533 160393247 /nfs/dbraw/zinc/39/32/47/160393247.db2.gz XAVOXRUSOQIZBP-AEFFLSMTSA-N 2 2 337.414 2.311 10 0 EEAELP CC[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000252736533 160393249 /nfs/dbraw/zinc/39/32/49/160393249.db2.gz XAVOXRUSOQIZBP-AEFFLSMTSA-N 2 2 337.414 2.311 10 0 EEAELP CC[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000252736533 160393251 /nfs/dbraw/zinc/39/32/51/160393251.db2.gz XAVOXRUSOQIZBP-AEFFLSMTSA-N 2 2 337.414 2.311 10 0 EEAELP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067005066 159006720 /nfs/dbraw/zinc/00/67/20/159006720.db2.gz OEZVBUKWFFSVTN-SFHVURJKSA-N 2 2 341.459 2.237 10 0 EEAELP O=C(NCCn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067005066 159006723 /nfs/dbraw/zinc/00/67/23/159006723.db2.gz OEZVBUKWFFSVTN-SFHVURJKSA-N 2 2 341.459 2.237 10 0 EEAELP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000085391685 159169461 /nfs/dbraw/zinc/16/94/61/159169461.db2.gz NHUYAZFQIOCQTE-RDJZCZTQSA-N 2 2 345.491 2.032 10 0 EEAELP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000085391685 159169464 /nfs/dbraw/zinc/16/94/64/159169464.db2.gz NHUYAZFQIOCQTE-RDJZCZTQSA-N 2 2 345.491 2.032 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCc2ccco2)([NH+]2CCCCC2)CC1 ZINC000173952261 159790858 /nfs/dbraw/zinc/79/08/58/159790858.db2.gz ZWEBRUWURFHXNL-UHFFFAOYSA-N 2 2 334.464 2.029 10 0 EEAELP CC(C)[C@H](CNC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193639710 160184759 /nfs/dbraw/zinc/18/47/59/160184759.db2.gz ORSCVRRINCWESJ-OTWHNJEPSA-N 2 2 329.488 2.036 10 0 EEAELP CC(C)[C@H](CNC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193639710 160184760 /nfs/dbraw/zinc/18/47/60/160184760.db2.gz ORSCVRRINCWESJ-OTWHNJEPSA-N 2 2 329.488 2.036 10 0 EEAELP CC(C)[C@H](CNC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193639710 160184761 /nfs/dbraw/zinc/18/47/61/160184761.db2.gz ORSCVRRINCWESJ-OTWHNJEPSA-N 2 2 329.488 2.036 10 0 EEAELP CC(C)[C@H](CNC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193639710 160184762 /nfs/dbraw/zinc/18/47/62/160184762.db2.gz ORSCVRRINCWESJ-OTWHNJEPSA-N 2 2 329.488 2.036 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193656127 160185068 /nfs/dbraw/zinc/18/50/68/160185068.db2.gz YXONJUMNYNYGEE-RYGJVYDSSA-N 2 2 341.499 2.236 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193656127 160185070 /nfs/dbraw/zinc/18/50/70/160185070.db2.gz YXONJUMNYNYGEE-RYGJVYDSSA-N 2 2 341.499 2.236 10 0 EEAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193656127 160185071 /nfs/dbraw/zinc/18/50/71/160185071.db2.gz YXONJUMNYNYGEE-RYGJVYDSSA-N 2 2 341.499 2.236 10 0 EEAELP C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc2c(c1)CCCC2 ZINC000193656127 160185072 /nfs/dbraw/zinc/18/50/72/160185072.db2.gz YXONJUMNYNYGEE-RYGJVYDSSA-N 2 2 341.499 2.236 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429155 160234595 /nfs/dbraw/zinc/23/45/95/160234595.db2.gz MXNCCQLXVAHCKD-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429155 160234597 /nfs/dbraw/zinc/23/45/97/160234597.db2.gz MXNCCQLXVAHCKD-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429155 160234598 /nfs/dbraw/zinc/23/45/98/160234598.db2.gz MXNCCQLXVAHCKD-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429155 160234599 /nfs/dbraw/zinc/23/45/99/160234599.db2.gz MXNCCQLXVAHCKD-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245442409 160235545 /nfs/dbraw/zinc/23/55/45/160235545.db2.gz WGPVFLGIFOYLJY-KSSFIOAISA-N 2 2 346.475 2.246 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245442409 160235546 /nfs/dbraw/zinc/23/55/46/160235546.db2.gz WGPVFLGIFOYLJY-KSSFIOAISA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245442409 160235547 /nfs/dbraw/zinc/23/55/47/160235547.db2.gz WGPVFLGIFOYLJY-KSSFIOAISA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245442409 160235548 /nfs/dbraw/zinc/23/55/48/160235548.db2.gz WGPVFLGIFOYLJY-KSSFIOAISA-N 2 2 346.475 2.246 10 0 EEAELP CC[C@@H](C)[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245855564 160254492 /nfs/dbraw/zinc/25/44/92/160254492.db2.gz CGVGSUHLIVUAHP-VQVIJEGRSA-N 2 2 336.524 2.373 10 0 EEAELP CC[C@@H](C)[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245855564 160254493 /nfs/dbraw/zinc/25/44/93/160254493.db2.gz CGVGSUHLIVUAHP-VQVIJEGRSA-N 2 2 336.524 2.373 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000246966113 160303466 /nfs/dbraw/zinc/30/34/66/160303466.db2.gz FYBCZYVWQDKUGU-NVXWUHKLSA-N 2 2 345.491 2.210 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000246966113 160303467 /nfs/dbraw/zinc/30/34/67/160303467.db2.gz FYBCZYVWQDKUGU-NVXWUHKLSA-N 2 2 345.491 2.210 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108460 160310094 /nfs/dbraw/zinc/31/00/94/160310094.db2.gz YFZVDGDJYHDHHI-WMLDXEAASA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108460 160310096 /nfs/dbraw/zinc/31/00/96/160310096.db2.gz YFZVDGDJYHDHHI-WMLDXEAASA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108460 160310098 /nfs/dbraw/zinc/31/00/98/160310098.db2.gz YFZVDGDJYHDHHI-WMLDXEAASA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108460 160310100 /nfs/dbraw/zinc/31/01/00/160310100.db2.gz YFZVDGDJYHDHHI-WMLDXEAASA-N 2 2 333.476 2.494 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[NH+](C)C ZINC000455428828 286861641 /nfs/dbraw/zinc/86/16/41/286861641.db2.gz IGMJZIWLGGTCTL-LSDHHAIUSA-N 2 2 333.480 2.059 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)n1 ZINC000343437488 161135810 /nfs/dbraw/zinc/13/58/10/161135810.db2.gz MUVPNCUMWOTPKD-KBXCAEBGSA-N 2 2 329.448 2.002 10 0 EEAELP CCC(CC)[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000343714485 161161467 /nfs/dbraw/zinc/16/14/67/161161467.db2.gz VRRYHRRELJMKMX-ROUUACIJSA-N 2 2 341.540 2.216 10 0 EEAELP C[N@@H+]1CCCC12CC[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000343751454 161164746 /nfs/dbraw/zinc/16/47/46/161164746.db2.gz PGCWQXOQPONILE-CQSZACIVSA-N 2 2 347.425 2.348 10 0 EEAELP C[N@H+]1CCCC12CC[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)CC2 ZINC000343751454 161164747 /nfs/dbraw/zinc/16/47/47/161164747.db2.gz PGCWQXOQPONILE-CQSZACIVSA-N 2 2 347.425 2.348 10 0 EEAELP CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344198981 161206782 /nfs/dbraw/zinc/20/67/82/161206782.db2.gz CZPMKRQSDQATGY-UHFFFAOYSA-N 2 2 327.475 2.237 10 0 EEAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCCCOC1CCCCC1 ZINC000345700661 161324131 /nfs/dbraw/zinc/32/41/31/161324131.db2.gz YLEGQVLILAGGNG-UHFFFAOYSA-N 2 2 348.491 2.445 10 0 EEAELP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H]1C ZINC000345750643 161328701 /nfs/dbraw/zinc/32/87/01/161328701.db2.gz AZUXRQKQIJPWLH-NWDGAFQWSA-N 2 2 347.385 2.070 10 0 EEAELP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H]1C ZINC000345750643 161328702 /nfs/dbraw/zinc/32/87/02/161328702.db2.gz AZUXRQKQIJPWLH-NWDGAFQWSA-N 2 2 347.385 2.070 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360697272 164365205 /nfs/dbraw/zinc/36/52/05/164365205.db2.gz HKAYKESQMPVAEA-KRWDZBQOSA-N 2 2 345.443 2.175 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000368105495 166051443 /nfs/dbraw/zinc/05/14/43/166051443.db2.gz SSKWOIOSJNNUNA-ZYHUDNBSSA-N 2 2 337.420 2.160 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000368105495 166051446 /nfs/dbraw/zinc/05/14/46/166051446.db2.gz SSKWOIOSJNNUNA-ZYHUDNBSSA-N 2 2 337.420 2.160 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000364570799 165190648 /nfs/dbraw/zinc/19/06/48/165190648.db2.gz RQAHUWUTXSNQJX-UONOGXRCSA-N 2 2 330.476 2.239 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000364570799 165190652 /nfs/dbraw/zinc/19/06/52/165190652.db2.gz RQAHUWUTXSNQJX-UONOGXRCSA-N 2 2 330.476 2.239 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000364570799 165190658 /nfs/dbraw/zinc/19/06/58/165190658.db2.gz RQAHUWUTXSNQJX-UONOGXRCSA-N 2 2 330.476 2.239 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000364570799 165190661 /nfs/dbraw/zinc/19/06/61/165190661.db2.gz RQAHUWUTXSNQJX-UONOGXRCSA-N 2 2 330.476 2.239 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000364570800 165190921 /nfs/dbraw/zinc/19/09/21/165190921.db2.gz RQAHUWUTXSNQJX-ZIAGYGMSSA-N 2 2 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EEAELP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000119543699 462909303 /nfs/dbraw/zinc/90/93/03/462909303.db2.gz NTICZDDMRIIIAZ-AWEZNQCLSA-N 2 2 327.432 2.382 10 0 EEAELP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000119543699 462909314 /nfs/dbraw/zinc/90/93/14/462909314.db2.gz NTICZDDMRIIIAZ-AWEZNQCLSA-N 2 2 327.432 2.382 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150756512 463421620 /nfs/dbraw/zinc/42/16/20/463421620.db2.gz KVADKOKQEYNUNG-JKSUJKDBSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150756512 463421624 /nfs/dbraw/zinc/42/16/24/463421624.db2.gz KVADKOKQEYNUNG-JKSUJKDBSA-N 2 2 333.451 2.421 10 0 EEAELP COc1ccc([C@H](CN2CC[NH+](C)CC2)[NH2+]Cc2cccnc2)cc1 ZINC000071792591 463425820 /nfs/dbraw/zinc/42/58/20/463425820.db2.gz QHQACKDQVIFVFK-FQEVSTJZSA-N 2 2 340.471 2.169 10 0 EEAELP CC[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000071880829 463454374 /nfs/dbraw/zinc/45/43/74/463454374.db2.gz VUMPOIAZZCKIMW-FQEVSTJZSA-N 2 2 341.455 2.471 10 0 EEAELP CC[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000071880829 463454380 /nfs/dbraw/zinc/45/43/80/463454380.db2.gz VUMPOIAZZCKIMW-FQEVSTJZSA-N 2 2 341.455 2.471 10 0 EEAELP COC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124765626 463462042 /nfs/dbraw/zinc/46/20/42/463462042.db2.gz VCRWTDJJGBRQMY-RYQLBKOJSA-N 2 2 339.524 2.065 10 0 EEAELP COC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124765626 463462045 /nfs/dbraw/zinc/46/20/45/463462045.db2.gz VCRWTDJJGBRQMY-RYQLBKOJSA-N 2 2 339.524 2.065 10 0 EEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000106120710 463505423 /nfs/dbraw/zinc/50/54/23/463505423.db2.gz QBXYXXOKPAKRLG-SFHVURJKSA-N 2 2 335.467 2.053 10 0 EEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000106120710 463505430 /nfs/dbraw/zinc/50/54/30/463505430.db2.gz QBXYXXOKPAKRLG-SFHVURJKSA-N 2 2 335.467 2.053 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084632996 463617834 /nfs/dbraw/zinc/61/78/34/463617834.db2.gz HVZHQLPDAVSMGK-UONOGXRCSA-N 2 2 330.436 2.155 10 0 EEAELP O=C(NCCn1cc[nH+]c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000043311598 463635096 /nfs/dbraw/zinc/63/50/96/463635096.db2.gz GVEJJSVQTJXCGZ-UHFFFAOYSA-N 2 2 341.459 2.368 10 0 EEAELP CC[NH+]1CCN([C@@H](C)CNc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000112074320 463689755 /nfs/dbraw/zinc/68/97/55/463689755.db2.gz HQKFFKVWAMPVOA-INIZCTEOSA-N 2 2 340.475 2.285 10 0 EEAELP CCC[C@H](C(=O)NCc1[nH+]ccn1CCc1ccccc1)[NH+](C)C ZINC000152529738 463700724 /nfs/dbraw/zinc/70/07/24/463700724.db2.gz ASNONIWBZXRWNB-QGZVFWFLSA-N 2 2 328.460 2.472 10 0 EEAELP C[C@@H]1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000268339995 463710048 /nfs/dbraw/zinc/71/00/48/463710048.db2.gz ONPRNLOSBMLSPJ-GDBMZVCRSA-N 2 2 342.447 2.209 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000170826078 463714369 /nfs/dbraw/zinc/71/43/69/463714369.db2.gz RCBAFAKGTCEEHN-OAHLLOKOSA-N 2 2 329.448 2.080 10 0 EEAELP Cc1nc2ccc(C[N@@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2s1 ZINC000261943892 463907647 /nfs/dbraw/zinc/90/76/47/463907647.db2.gz NBKUNHILLDDPSK-HNNXBMFYSA-N 2 2 344.484 2.001 10 0 EEAELP Cc1nc2ccc(C[N@H+]3CCC[C@H](N4CC[NH2+]CC4=O)C3)cc2s1 ZINC000261943892 463907648 /nfs/dbraw/zinc/90/76/48/463907648.db2.gz NBKUNHILLDDPSK-HNNXBMFYSA-N 2 2 344.484 2.001 10 0 EEAELP CC(C)[C@H](C)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000178586530 463925727 /nfs/dbraw/zinc/92/57/27/463925727.db2.gz MXLZXDACDRMJGQ-QAPCUYQASA-N 2 2 328.460 2.210 10 0 EEAELP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262030713 463929698 /nfs/dbraw/zinc/92/96/98/463929698.db2.gz NZPWEEPRFSCMTB-FQEVSTJZSA-N 4 2 336.568 2.114 10 0 EEAELP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262030713 463929703 /nfs/dbraw/zinc/92/97/03/463929703.db2.gz NZPWEEPRFSCMTB-FQEVSTJZSA-N 4 2 336.568 2.114 10 0 EEAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263194706 464059631 /nfs/dbraw/zinc/05/96/31/464059631.db2.gz IHKOGLQIHQWVRP-SMDDNHRTSA-N 2 2 329.425 2.226 10 0 EEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000195515772 464064546 /nfs/dbraw/zinc/06/45/46/464064546.db2.gz VTSWLXXTJXPKBQ-IXDOHACOSA-N 2 2 330.476 2.320 10 0 EEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000195515772 464064551 /nfs/dbraw/zinc/06/45/51/464064551.db2.gz VTSWLXXTJXPKBQ-IXDOHACOSA-N 2 2 330.476 2.320 10 0 EEAELP C[N@@H+]1CCC[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000173903016 464328204 /nfs/dbraw/zinc/32/82/04/464328204.db2.gz UXUNZVCAMGYPSG-GOEBONIOSA-N 2 2 347.488 2.327 10 0 EEAELP C[N@H+]1CCC[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000173903016 464328209 /nfs/dbraw/zinc/32/82/09/464328209.db2.gz UXUNZVCAMGYPSG-GOEBONIOSA-N 2 2 347.488 2.327 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000281124843 464340211 /nfs/dbraw/zinc/34/02/11/464340211.db2.gz IIOMAZDXIGIXLQ-QWRGUYRKSA-N 2 2 336.386 2.174 10 0 EEAELP C[C@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237600887 464347039 /nfs/dbraw/zinc/34/70/39/464347039.db2.gz FYPZJAHQMBHADN-HZPDHXFCSA-N 2 2 330.476 2.192 10 0 EEAELP CCn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000284831468 464357396 /nfs/dbraw/zinc/35/73/96/464357396.db2.gz MUTKDUMBLDGUHH-FUHWJXTLSA-N 2 2 330.480 2.151 10 0 EEAELP CCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000284831468 464357400 /nfs/dbraw/zinc/35/74/00/464357400.db2.gz MUTKDUMBLDGUHH-FUHWJXTLSA-N 2 2 330.480 2.151 10 0 EEAELP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000284831468 464357412 /nfs/dbraw/zinc/35/74/12/464357412.db2.gz MUTKDUMBLDGUHH-FUHWJXTLSA-N 2 2 330.480 2.151 10 0 EEAELP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@H]1C ZINC000174949046 464472566 /nfs/dbraw/zinc/47/25/66/464472566.db2.gz RLIQCXUMFPABNC-SJORKVTESA-N 2 2 336.524 2.377 10 0 EEAELP Cc1noc(C)c1C[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000554503262 468410020 /nfs/dbraw/zinc/41/00/20/468410020.db2.gz FBJRBKPRTBCDHM-QGZVFWFLSA-N 2 2 348.491 2.200 10 0 EEAELP Cc1noc(C)c1C[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000554503262 468410027 /nfs/dbraw/zinc/41/00/27/468410027.db2.gz FBJRBKPRTBCDHM-QGZVFWFLSA-N 2 2 348.491 2.200 10 0 EEAELP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265531488 464593611 /nfs/dbraw/zinc/59/36/11/464593611.db2.gz VDSZFPRRMRXOKS-CYBMUJFWSA-N 2 2 330.407 2.433 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)CCO1 ZINC000182258942 464613157 /nfs/dbraw/zinc/61/31/57/464613157.db2.gz CJNGPTCNNQKOBV-YLJYHZDGSA-N 2 2 332.488 2.165 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)CCO1 ZINC000182258942 464613161 /nfs/dbraw/zinc/61/31/61/464613161.db2.gz CJNGPTCNNQKOBV-YLJYHZDGSA-N 2 2 332.488 2.165 10 0 EEAELP COc1c(C)c[nH+]c(CN2CCN(C3=[NH+]C[C@@H](C)S3)CC2)c1C ZINC000175793503 464627965 /nfs/dbraw/zinc/62/79/65/464627965.db2.gz RLSJXDXRKPVZPW-CYBMUJFWSA-N 2 2 334.489 2.316 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000183538138 464876121 /nfs/dbraw/zinc/87/61/21/464876121.db2.gz SZRYQVLVFCPMHU-UHFFFAOYSA-N 2 2 339.374 2.402 10 0 EEAELP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177167948 464947984 /nfs/dbraw/zinc/94/79/84/464947984.db2.gz IBMQLPKVWWGTON-INIZCTEOSA-N 2 2 327.432 2.100 10 0 EEAELP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177167948 464947989 /nfs/dbraw/zinc/94/79/89/464947989.db2.gz IBMQLPKVWWGTON-INIZCTEOSA-N 2 2 327.432 2.100 10 0 EEAELP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000252463495 464957472 /nfs/dbraw/zinc/95/74/72/464957472.db2.gz YVJFQYFFNYIPFC-SJORKVTESA-N 2 2 330.476 2.146 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000252463495 464957478 /nfs/dbraw/zinc/95/74/78/464957478.db2.gz YVJFQYFFNYIPFC-SJORKVTESA-N 2 2 330.476 2.146 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000339566381 465354663 /nfs/dbraw/zinc/35/46/63/465354663.db2.gz JYOHDPURXLQCIJ-SJORKVTESA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000339566381 465354667 /nfs/dbraw/zinc/35/46/67/465354667.db2.gz JYOHDPURXLQCIJ-SJORKVTESA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000339566381 465354675 /nfs/dbraw/zinc/35/46/75/465354675.db2.gz JYOHDPURXLQCIJ-SJORKVTESA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000339566381 465354682 /nfs/dbraw/zinc/35/46/82/465354682.db2.gz JYOHDPURXLQCIJ-SJORKVTESA-N 2 2 345.487 2.070 10 0 EEAELP Cc1cccc(-c2noc(C[NH+]3CCN(c4[nH+]ccn4C)CC3)n2)c1 ZINC000348487474 465630569 /nfs/dbraw/zinc/63/05/69/465630569.db2.gz ZACUUPVAPWZWEJ-UHFFFAOYSA-N 2 2 338.415 2.101 10 0 EEAELP c1cnc(N2CC[NH+](CCC[NH2+][C@H]3CC[C@H]3C3CCC3)CC2)nc1 ZINC000337987645 465731749 /nfs/dbraw/zinc/73/17/49/465731749.db2.gz SMMAMGRGUSBYGP-ROUUACIJSA-N 2 2 329.492 2.157 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569246120 468463213 /nfs/dbraw/zinc/46/32/13/468463213.db2.gz WDDQUGHWNVNURZ-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569246120 468463219 /nfs/dbraw/zinc/46/32/19/468463219.db2.gz WDDQUGHWNVNURZ-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000353647074 466037458 /nfs/dbraw/zinc/03/74/58/466037458.db2.gz GAFSKTUOEAQDBY-HNNXBMFYSA-N 2 2 344.484 2.359 10 0 EEAELP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000353647074 466037464 /nfs/dbraw/zinc/03/74/64/466037464.db2.gz GAFSKTUOEAQDBY-HNNXBMFYSA-N 2 2 344.484 2.359 10 0 EEAELP CCN1CCN(c2cc[nH+]cc2Br)C[C@@H]1c1[nH]cc[nH+]1 ZINC000367089046 466122039 /nfs/dbraw/zinc/12/20/39/466122039.db2.gz YYKJFJRSBKXOBT-CYBMUJFWSA-N 2 2 336.237 2.450 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000358008095 466383552 /nfs/dbraw/zinc/38/35/52/466383552.db2.gz AWIOPQLWVJBRFX-KDOFPFPSSA-N 2 2 327.428 2.249 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000358008095 466383562 /nfs/dbraw/zinc/38/35/62/466383562.db2.gz AWIOPQLWVJBRFX-KDOFPFPSSA-N 2 2 327.428 2.249 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367538613 466401125 /nfs/dbraw/zinc/40/11/25/466401125.db2.gz QXOHPSVLSUJAQU-PCCBWWKXSA-N 3 2 343.515 2.481 10 0 EEAELP CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000358087629 466443240 /nfs/dbraw/zinc/44/32/40/466443240.db2.gz OYPILLZHDOYRTR-HNAYVOBHSA-N 2 2 345.487 2.230 10 0 EEAELP CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000358087629 466443246 /nfs/dbraw/zinc/44/32/46/466443246.db2.gz OYPILLZHDOYRTR-HNAYVOBHSA-N 2 2 345.487 2.230 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000354334491 466485320 /nfs/dbraw/zinc/48/53/20/466485320.db2.gz NEBDZAVLEDUDBR-KRWDZBQOSA-N 2 2 332.423 2.212 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000354334491 466485328 /nfs/dbraw/zinc/48/53/28/466485328.db2.gz NEBDZAVLEDUDBR-KRWDZBQOSA-N 2 2 332.423 2.212 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)CCC2 ZINC000332687149 466552862 /nfs/dbraw/zinc/55/28/62/466552862.db2.gz OKCKMRCDSUFKLP-DLBZAZTESA-N 2 2 347.507 2.489 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCCc1ccccc1 ZINC000324221171 466644867 /nfs/dbraw/zinc/64/48/67/466644867.db2.gz RUISKYDCFRAFLB-OALUTQOASA-N 2 2 329.488 2.199 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCCc1ccccc1 ZINC000324221171 466644870 /nfs/dbraw/zinc/64/48/70/466644870.db2.gz RUISKYDCFRAFLB-OALUTQOASA-N 2 2 329.488 2.199 10 0 EEAELP CN(C(=O)c1ccoc1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373042546 466674053 /nfs/dbraw/zinc/67/40/53/466674053.db2.gz MGSVXXQJSOWMOA-INIZCTEOSA-N 2 2 331.460 2.398 10 0 EEAELP CN(C(=O)c1ccoc1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373042546 466674055 /nfs/dbraw/zinc/67/40/55/466674055.db2.gz MGSVXXQJSOWMOA-INIZCTEOSA-N 2 2 331.460 2.398 10 0 EEAELP CC1(C)OC[C@@H](C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)O1 ZINC000408521990 466677051 /nfs/dbraw/zinc/67/70/51/466677051.db2.gz BJLZHTDIEVSNSN-HZPDHXFCSA-N 2 2 347.459 2.286 10 0 EEAELP Fc1ccc(N2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422902343 466687051 /nfs/dbraw/zinc/68/70/51/466687051.db2.gz UIOHAWLDMYOKEW-MDASCCDHSA-N 2 2 333.451 2.009 10 0 EEAELP Clc1cccc2c1CCN(CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)C2 ZINC000423053277 466690751 /nfs/dbraw/zinc/69/07/51/466690751.db2.gz AGLVHZZZBNQCEB-RBUKOAKNSA-N 2 2 349.906 2.055 10 0 EEAELP CC[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)C1(C(=O)OC)CCC1 ZINC000423224265 466699979 /nfs/dbraw/zinc/69/99/79/466699979.db2.gz BOYDVTNIPNYBRP-HNNXBMFYSA-N 2 2 332.448 2.025 10 0 EEAELP c1cc(N[C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423243481 466702361 /nfs/dbraw/zinc/70/23/61/466702361.db2.gz ZXXYAIKHYJLHTI-GVDBMIGSSA-N 2 2 330.476 2.498 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000423407663 466741892 /nfs/dbraw/zinc/74/18/92/466741892.db2.gz WGGBHSCYPJGDTA-QCSYZSNVSA-N 2 2 337.895 2.299 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000423407663 466741895 /nfs/dbraw/zinc/74/18/95/466741895.db2.gz WGGBHSCYPJGDTA-QCSYZSNVSA-N 2 2 337.895 2.299 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004300 467019516 /nfs/dbraw/zinc/01/95/16/467019516.db2.gz YVHFPAIAPUMSSO-VCTAVGKDSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004300 467019522 /nfs/dbraw/zinc/01/95/22/467019522.db2.gz YVHFPAIAPUMSSO-VCTAVGKDSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374199363 467031970 /nfs/dbraw/zinc/03/19/70/467031970.db2.gz HEBCBFQSAPVEOA-ZDUSSCGKSA-N 2 2 330.407 2.433 10 0 EEAELP C[C@@H](CCC[NH3+])NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000418052356 467035395 /nfs/dbraw/zinc/03/53/95/467035395.db2.gz VRXWMRSAOMCUMJ-ZDUSSCGKSA-N 2 2 338.883 2.125 10 0 EEAELP C[C@@H](CCC[NH3+])NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000418052356 467035400 /nfs/dbraw/zinc/03/54/00/467035400.db2.gz VRXWMRSAOMCUMJ-ZDUSSCGKSA-N 2 2 338.883 2.125 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418603012 467134444 /nfs/dbraw/zinc/13/44/44/467134444.db2.gz WJGQIJXRVGYVKP-IIAWOOMASA-N 2 2 336.505 2.134 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451847204 467271941 /nfs/dbraw/zinc/27/19/41/467271941.db2.gz XZCSFQZRHTXKCS-SFHVURJKSA-N 2 2 331.460 2.407 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451847204 467271945 /nfs/dbraw/zinc/27/19/45/467271945.db2.gz XZCSFQZRHTXKCS-SFHVURJKSA-N 2 2 331.460 2.407 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452079914 467315026 /nfs/dbraw/zinc/31/50/26/467315026.db2.gz GJPACCRXJGSWGL-MRXNPFEDSA-N 2 2 344.459 2.091 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452079914 467315027 /nfs/dbraw/zinc/31/50/27/467315027.db2.gz GJPACCRXJGSWGL-MRXNPFEDSA-N 2 2 344.459 2.091 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000429819713 467372941 /nfs/dbraw/zinc/37/29/41/467372941.db2.gz VHROZOCNTJNFAP-KFWWJZLASA-N 2 2 349.441 2.449 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000429819713 467372944 /nfs/dbraw/zinc/37/29/44/467372944.db2.gz VHROZOCNTJNFAP-KFWWJZLASA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000429819713 467372947 /nfs/dbraw/zinc/37/29/47/467372947.db2.gz VHROZOCNTJNFAP-KFWWJZLASA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000429819713 467372951 /nfs/dbraw/zinc/37/29/51/467372951.db2.gz VHROZOCNTJNFAP-KFWWJZLASA-N 2 2 349.441 2.449 10 0 EEAELP [NH3+]C[C@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000420370923 467382236 /nfs/dbraw/zinc/38/22/36/467382236.db2.gz PGZBVOWLFPGFRO-KBPBESRZSA-N 2 2 335.414 2.285 10 0 EEAELP COC(=O)C[NH+]1CCC(Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000435038611 467442687 /nfs/dbraw/zinc/44/26/87/467442687.db2.gz UOUCBWGDIRFHSV-KRWDZBQOSA-N 2 2 347.459 2.121 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cnn(Cc2ccccc2)c1 ZINC000453266844 467473851 /nfs/dbraw/zinc/47/38/51/467473851.db2.gz OPQOHYSEGVMHCQ-XLIONFOSSA-N 2 2 342.487 2.429 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cnn(Cc2ccccc2)c1 ZINC000453266844 467473853 /nfs/dbraw/zinc/47/38/53/467473853.db2.gz OPQOHYSEGVMHCQ-XLIONFOSSA-N 2 2 342.487 2.429 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nn(C)cc3Cl)CC2)CC1 ZINC000420986766 467525402 /nfs/dbraw/zinc/52/54/02/467525402.db2.gz YVHSAEZTXMPJTH-UHFFFAOYSA-N 2 2 339.915 2.066 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3nn(C)cc3Cl)CC2)CC1 ZINC000420986766 467525406 /nfs/dbraw/zinc/52/54/06/467525406.db2.gz YVHSAEZTXMPJTH-UHFFFAOYSA-N 2 2 339.915 2.066 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(-c2ccccc2)n1 ZINC000449389072 467635963 /nfs/dbraw/zinc/63/59/63/467635963.db2.gz BVOAMCLTUAMOQE-GOSISDBHSA-N 2 2 328.460 2.024 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(-c2ccccc2)n1 ZINC000449389072 467635964 /nfs/dbraw/zinc/63/59/64/467635964.db2.gz BVOAMCLTUAMOQE-GOSISDBHSA-N 2 2 328.460 2.024 10 0 EEAELP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1F ZINC000449397172 467638747 /nfs/dbraw/zinc/63/87/47/467638747.db2.gz ULWIMVANJFYITJ-WBVHZDCISA-N 2 2 338.467 2.449 10 0 EEAELP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1F ZINC000449397172 467638754 /nfs/dbraw/zinc/63/87/54/467638754.db2.gz ULWIMVANJFYITJ-WBVHZDCISA-N 2 2 338.467 2.449 10 0 EEAELP CC(C)C1(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000458462063 467839230 /nfs/dbraw/zinc/83/92/30/467839230.db2.gz FPULNMZXQLWDEL-UHFFFAOYSA-N 2 2 336.524 2.425 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909196 468054233 /nfs/dbraw/zinc/05/42/33/468054233.db2.gz HIZOVMUXGOGCLL-HOCLYGCPSA-N 2 2 345.487 2.414 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909196 468054234 /nfs/dbraw/zinc/05/42/34/468054234.db2.gz HIZOVMUXGOGCLL-HOCLYGCPSA-N 2 2 345.487 2.414 10 0 EEAELP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000517326910 468081668 /nfs/dbraw/zinc/08/16/68/468081668.db2.gz RRQCAOJIFPXVCV-OAHLLOKOSA-N 2 2 326.444 2.420 10 0 EEAELP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000517326910 468081670 /nfs/dbraw/zinc/08/16/70/468081670.db2.gz RRQCAOJIFPXVCV-OAHLLOKOSA-N 2 2 326.444 2.420 10 0 EEAELP COC(C)(C)C[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000533342049 468192769 /nfs/dbraw/zinc/19/27/69/468192769.db2.gz SKHAFDHTZWIZOF-QGZVFWFLSA-N 2 2 347.503 2.249 10 0 EEAELP COC(C)(C)C[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000533342049 468192777 /nfs/dbraw/zinc/19/27/77/468192777.db2.gz SKHAFDHTZWIZOF-QGZVFWFLSA-N 2 2 347.503 2.249 10 0 EEAELP Cc1nc(N(CC[NH+](C)C)Cc2cccc(Cl)c2)nc(N(C)C)[nH+]1 ZINC000490098717 468195881 /nfs/dbraw/zinc/19/58/81/468195881.db2.gz UJGMPXACOBRRJQ-UHFFFAOYSA-N 2 2 348.882 2.468 10 0 EEAELP C[N@@H+]1CCC[C@@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000567852634 468223468 /nfs/dbraw/zinc/22/34/68/468223468.db2.gz FJGHVLFHEZYBOC-INIZCTEOSA-N 2 2 345.491 2.082 10 0 EEAELP C[N@H+]1CCC[C@@H](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000567852634 468223471 /nfs/dbraw/zinc/22/34/71/468223471.db2.gz FJGHVLFHEZYBOC-INIZCTEOSA-N 2 2 345.491 2.082 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000533890359 468228102 /nfs/dbraw/zinc/22/81/02/468228102.db2.gz AWXYFMJJPAISDW-MSOLQXFVSA-N 2 2 341.459 2.408 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000533890359 468228107 /nfs/dbraw/zinc/22/81/07/468228107.db2.gz AWXYFMJJPAISDW-MSOLQXFVSA-N 2 2 341.459 2.408 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569927682 468565076 /nfs/dbraw/zinc/56/50/76/468565076.db2.gz GOABQNPFAMYABN-BEFAXECRSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569927682 468565084 /nfs/dbraw/zinc/56/50/84/468565084.db2.gz GOABQNPFAMYABN-BEFAXECRSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000556765031 468568697 /nfs/dbraw/zinc/56/86/97/468568697.db2.gz APKHPIVXKUJQJM-KCQAQPDRSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](O)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000556765031 468568702 /nfs/dbraw/zinc/56/87/02/468568702.db2.gz APKHPIVXKUJQJM-KCQAQPDRSA-N 2 2 328.416 2.106 10 0 EEAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000592437339 468697891 /nfs/dbraw/zinc/69/78/91/468697891.db2.gz HVDJRHQEMXQZOR-QGZVFWFLSA-N 2 2 348.491 2.216 10 0 EEAELP CC[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H](C)[S@]1=O ZINC000561962687 468913460 /nfs/dbraw/zinc/91/34/60/468913460.db2.gz DVUGEITYERLAGZ-QHXAMGISSA-N 2 2 332.473 2.307 10 0 EEAELP CC[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H](C)[S@]1=O ZINC000561962687 468913464 /nfs/dbraw/zinc/91/34/64/468913464.db2.gz DVUGEITYERLAGZ-QHXAMGISSA-N 2 2 332.473 2.307 10 0 EEAELP COc1cccc(OCC[NH+]2CCN(c3nc(C)[nH+]cc3C)CC2)c1 ZINC000572303627 468915005 /nfs/dbraw/zinc/91/50/05/468915005.db2.gz QDTGVJMWAGPEOQ-UHFFFAOYSA-N 2 2 342.443 2.303 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)s1 ZINC000595921773 469085634 /nfs/dbraw/zinc/08/56/34/469085634.db2.gz XLYMGSMBMVCORY-ZDUSSCGKSA-N 2 2 334.445 2.396 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)s1 ZINC000595921773 469085640 /nfs/dbraw/zinc/08/56/40/469085640.db2.gz XLYMGSMBMVCORY-ZDUSSCGKSA-N 2 2 334.445 2.396 10 0 EEAELP Cn1c[nH+]cc1CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000563017136 469137892 /nfs/dbraw/zinc/13/78/92/469137892.db2.gz DCCUWTHZUXMVOQ-UHFFFAOYSA-N 2 2 333.461 2.214 10 0 EEAELP Cn1c[nH+]cc1CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000563017136 469137895 /nfs/dbraw/zinc/13/78/95/469137895.db2.gz DCCUWTHZUXMVOQ-UHFFFAOYSA-N 2 2 333.461 2.214 10 0 EEAELP C[C@@H](CC[N@@H+]1CC[C@H](OC(F)F)C1)[NH+]1CC[C@H](OC(F)F)C1 ZINC000573508386 469149408 /nfs/dbraw/zinc/14/94/08/469149408.db2.gz ODOHZPAGLMWEDP-SRVKXCTJSA-N 2 2 328.350 2.392 10 0 EEAELP C[C@@H](CC[N@H+]1CC[C@H](OC(F)F)C1)[NH+]1CC[C@H](OC(F)F)C1 ZINC000573508386 469149415 /nfs/dbraw/zinc/14/94/15/469149415.db2.gz ODOHZPAGLMWEDP-SRVKXCTJSA-N 2 2 328.350 2.392 10 0 EEAELP C[C@@H](CC[NH+]1CC[C@H](OC(F)F)C1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000573508386 469149419 /nfs/dbraw/zinc/14/94/19/469149419.db2.gz ODOHZPAGLMWEDP-SRVKXCTJSA-N 2 2 328.350 2.392 10 0 EEAELP C[C@@H](CC[NH+]1CC[C@H](OC(F)F)C1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000573508386 469149424 /nfs/dbraw/zinc/14/94/24/469149424.db2.gz ODOHZPAGLMWEDP-SRVKXCTJSA-N 2 2 328.350 2.392 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(F)c3ccncc23)CC1 ZINC000611979969 469356896 /nfs/dbraw/zinc/35/68/96/469356896.db2.gz UNFAEVHIBVKSRG-UHFFFAOYSA-N 2 2 344.434 2.130 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@]2(C)CC[NH2+]C2)c(C)c1 ZINC000612896780 469574062 /nfs/dbraw/zinc/57/40/62/469574062.db2.gz MIBCBBHEFJKIDU-MJGOQNOKSA-N 2 2 341.459 2.292 10 0 EEAELP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000629540124 469574742 /nfs/dbraw/zinc/57/47/42/469574742.db2.gz QZLRSKMIBRKXBK-FMKPAKJESA-N 2 2 337.489 2.018 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000629568090 469583135 /nfs/dbraw/zinc/58/31/35/469583135.db2.gz SFHCPDBGNFPPIX-UHFFFAOYSA-N 2 2 334.247 2.100 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000629568090 469583139 /nfs/dbraw/zinc/58/31/39/469583139.db2.gz SFHCPDBGNFPPIX-UHFFFAOYSA-N 2 2 334.247 2.100 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596034 469588477 /nfs/dbraw/zinc/58/84/77/469588477.db2.gz QILZUHBPPKDDEL-ZMYBRWDISA-N 2 2 333.451 2.277 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596034 469588479 /nfs/dbraw/zinc/58/84/79/469588479.db2.gz QILZUHBPPKDDEL-ZMYBRWDISA-N 2 2 333.451 2.277 10 0 EEAELP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629601336 469589678 /nfs/dbraw/zinc/58/96/78/469589678.db2.gz JENGPFMPKOVCIU-MOPGFXCFSA-N 2 2 346.471 2.235 10 0 EEAELP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629601336 469589683 /nfs/dbraw/zinc/58/96/83/469589683.db2.gz JENGPFMPKOVCIU-MOPGFXCFSA-N 2 2 346.471 2.235 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000629655897 469600090 /nfs/dbraw/zinc/60/00/90/469600090.db2.gz LPUUGEKRQHRMPP-MFKMUULPSA-N 2 2 328.254 2.473 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623445423 469658912 /nfs/dbraw/zinc/65/89/12/469658912.db2.gz QVEWCZSCLGOFKK-CABCVRRESA-N 2 2 331.460 2.263 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623445423 469658915 /nfs/dbraw/zinc/65/89/15/469658915.db2.gz QVEWCZSCLGOFKK-CABCVRRESA-N 2 2 331.460 2.263 10 0 EEAELP C[N@H+](CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978350 469690203 /nfs/dbraw/zinc/69/02/03/469690203.db2.gz RPSKZGNWKLHLNE-WMZOPIPTSA-N 2 2 337.414 2.311 10 0 EEAELP C[N@@H+](CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978350 469690209 /nfs/dbraw/zinc/69/02/09/469690209.db2.gz RPSKZGNWKLHLNE-WMZOPIPTSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978350 469690214 /nfs/dbraw/zinc/69/02/14/469690214.db2.gz RPSKZGNWKLHLNE-WMZOPIPTSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978350 469690217 /nfs/dbraw/zinc/69/02/17/469690217.db2.gz RPSKZGNWKLHLNE-WMZOPIPTSA-N 2 2 337.414 2.311 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000626927632 469758443 /nfs/dbraw/zinc/75/84/43/469758443.db2.gz VWBZTYIZMWYBBX-GLQYFDAESA-N 2 2 347.850 2.213 10 0 EEAELP c1ccc2c(NC[C@@H]3C[N@@H+](Cc4ccncc4)CCO3)cc[nH+]c2c1 ZINC000624706592 470006146 /nfs/dbraw/zinc/00/61/46/470006146.db2.gz NTJLBUHMMLRKIA-QGZVFWFLSA-N 2 2 334.423 2.365 10 0 EEAELP OC1CC[NH+](CCC[NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621330164 470032094 /nfs/dbraw/zinc/03/20/94/470032094.db2.gz AKMDIWBBXDWJRH-UHFFFAOYSA-N 2 2 342.487 2.062 10 0 EEAELP Cc1nc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc(N)[nH+]1 ZINC000631205071 470092182 /nfs/dbraw/zinc/09/21/82/470092182.db2.gz WRQOBHQDPNMRII-GVDBMIGSSA-N 2 2 338.459 2.475 10 0 EEAELP Cc1nc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc(N)[nH+]1 ZINC000631205071 470092183 /nfs/dbraw/zinc/09/21/83/470092183.db2.gz WRQOBHQDPNMRII-GVDBMIGSSA-N 2 2 338.459 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000631205071 470092184 /nfs/dbraw/zinc/09/21/84/470092184.db2.gz WRQOBHQDPNMRII-GVDBMIGSSA-N 2 2 338.459 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC000631205071 470092186 /nfs/dbraw/zinc/09/21/86/470092186.db2.gz WRQOBHQDPNMRII-GVDBMIGSSA-N 2 2 338.459 2.475 10 0 EEAELP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000622047166 470153873 /nfs/dbraw/zinc/15/38/73/470153873.db2.gz NZVCTZBNGROYGH-WOSRLPQWSA-N 2 2 330.432 2.353 10 0 EEAELP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000622047166 470153874 /nfs/dbraw/zinc/15/38/74/470153874.db2.gz NZVCTZBNGROYGH-WOSRLPQWSA-N 2 2 330.432 2.353 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000634636798 470272243 /nfs/dbraw/zinc/27/22/43/470272243.db2.gz KDJZGWXRWTYFBA-ZCNNSNEGSA-N 2 2 332.488 2.325 10 0 EEAELP C[C@@](O)(C[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000634644318 470273767 /nfs/dbraw/zinc/27/37/67/470273767.db2.gz SKLUWAPKYSDOLB-MAUKXSAKSA-N 2 2 333.407 2.013 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000639062479 470372357 /nfs/dbraw/zinc/37/23/57/470372357.db2.gz ZDPZNRNRSCQGFV-HXUWFJFHSA-N 2 2 346.471 2.008 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000639062479 470372361 /nfs/dbraw/zinc/37/23/61/470372361.db2.gz ZDPZNRNRSCQGFV-HXUWFJFHSA-N 2 2 346.471 2.008 10 0 EEAELP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)CC[N@@H+]1C ZINC000648873911 470378019 /nfs/dbraw/zinc/37/80/19/470378019.db2.gz NTALUNZPZFXAMX-UKRRQHHQSA-N 2 2 335.879 2.155 10 0 EEAELP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)CC[N@H+]1C ZINC000648873911 470378023 /nfs/dbraw/zinc/37/80/23/470378023.db2.gz NTALUNZPZFXAMX-UKRRQHHQSA-N 2 2 335.879 2.155 10 0 EEAELP C[C@@H]1[C@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC[NH+]1C ZINC000648873911 470378027 /nfs/dbraw/zinc/37/80/27/470378027.db2.gz NTALUNZPZFXAMX-UKRRQHHQSA-N 2 2 335.879 2.155 10 0 EEAELP C[C@@H]1[C@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC[NH+]1C ZINC000648873911 470378031 /nfs/dbraw/zinc/37/80/31/470378031.db2.gz NTALUNZPZFXAMX-UKRRQHHQSA-N 2 2 335.879 2.155 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000639328446 470468121 /nfs/dbraw/zinc/46/81/21/470468121.db2.gz XFCBFIJNRHUAEF-FQEVSTJZSA-N 2 2 331.504 2.209 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC000639328446 470468127 /nfs/dbraw/zinc/46/81/27/470468127.db2.gz XFCBFIJNRHUAEF-FQEVSTJZSA-N 2 2 331.504 2.209 10 0 EEAELP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000641805042 470488676 /nfs/dbraw/zinc/48/86/76/470488676.db2.gz DIISSYQHDSJDTG-RBSFLKMASA-N 2 2 329.444 2.120 10 0 EEAELP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000641805042 470488680 /nfs/dbraw/zinc/48/86/80/470488680.db2.gz DIISSYQHDSJDTG-RBSFLKMASA-N 2 2 329.444 2.120 10 0 EEAELP [NH3+]C1CCC(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000649303564 470537936 /nfs/dbraw/zinc/53/79/36/470537936.db2.gz HIIQYYUBOQFTPT-UHFFFAOYSA-N 2 2 332.379 2.236 10 0 EEAELP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000636989038 470551513 /nfs/dbraw/zinc/55/15/13/470551513.db2.gz QAVPONWOXZNBPJ-HOTGVXAUSA-N 2 2 345.491 2.251 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@H]([C@H]4CCC[NH2+]4)C3)[nH+]c12 ZINC000649354033 470556029 /nfs/dbraw/zinc/55/60/29/470556029.db2.gz BXOPZJLIDBJCRH-DOTOQJQBSA-N 2 2 326.444 2.176 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000650705810 470945612 /nfs/dbraw/zinc/94/56/12/470945612.db2.gz WRHMIYKQWFKECM-UHFFFAOYSA-N 2 2 326.444 2.344 10 0 EEAELP c1ccc2c(c1)O[C@H](CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)CS2 ZINC000647801534 470988718 /nfs/dbraw/zinc/98/87/18/470988718.db2.gz XFZJYWBSBRZWON-UWWQBHOKSA-N 2 2 334.485 2.286 10 0 EEAELP C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000644840525 471061626 /nfs/dbraw/zinc/06/16/26/471061626.db2.gz LAAPVKVMAHIELU-FZMZJTMJSA-N 2 2 335.249 2.233 10 0 EEAELP C[C@H]1C[NH+](CCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@H](C)O1 ZINC000657295755 471088467 /nfs/dbraw/zinc/08/84/67/471088467.db2.gz XHOHTFRKAATGDM-RYUDHWBXSA-N 2 2 334.386 2.028 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657313428 471095193 /nfs/dbraw/zinc/09/51/93/471095193.db2.gz LTHXEWDVILXLLL-UHFFFAOYSA-N 3 2 348.454 2.417 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651328955 471131356 /nfs/dbraw/zinc/13/13/56/471131356.db2.gz LZWSQWCBFLETGU-QGZVFWFLSA-N 2 2 343.475 2.297 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000651388791 471154722 /nfs/dbraw/zinc/15/47/22/471154722.db2.gz QPICUTQLPDLJJC-MRXNPFEDSA-N 2 2 330.476 2.096 10 0 EEAELP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000657576349 471173951 /nfs/dbraw/zinc/17/39/51/471173951.db2.gz JREGRKPEPYEVFW-DBVUQKKJSA-N 2 2 347.503 2.202 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000651550578 471208623 /nfs/dbraw/zinc/20/86/23/471208623.db2.gz ZVMULXQOCHKPGO-YJBOKZPZSA-N 2 2 342.487 2.237 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000651550578 471208628 /nfs/dbraw/zinc/20/86/28/471208628.db2.gz ZVMULXQOCHKPGO-YJBOKZPZSA-N 2 2 342.487 2.237 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000652135983 471242580 /nfs/dbraw/zinc/24/25/80/471242580.db2.gz AOMSJEOFOWEIMG-UHFFFAOYSA-N 2 2 337.427 2.362 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000652177202 471250535 /nfs/dbraw/zinc/25/05/35/471250535.db2.gz CKPKLNVXPBCCBG-KRWDZBQOSA-N 2 2 344.434 2.320 10 0 EEAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341934 471290083 /nfs/dbraw/zinc/29/00/83/471290083.db2.gz KWYBSGYXGUMXAX-MAUKXSAKSA-N 2 2 327.476 2.185 10 0 EEAELP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341934 471290084 /nfs/dbraw/zinc/29/00/84/471290084.db2.gz KWYBSGYXGUMXAX-MAUKXSAKSA-N 2 2 327.476 2.185 10 0 EEAELP CCN(C(=O)NCCn1c(C)[nH+]c2ccccc21)[C@@H]1CC[N@@H+](CC)C1 ZINC000663501336 471401644 /nfs/dbraw/zinc/40/16/44/471401644.db2.gz VQPFMZLWZDDUSD-MRXNPFEDSA-N 2 2 343.475 2.470 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660734043 471465101 /nfs/dbraw/zinc/46/51/01/471465101.db2.gz GBXCPOFXCKXUSG-QGZVFWFLSA-N 2 2 347.507 2.460 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660734043 471465107 /nfs/dbraw/zinc/46/51/07/471465107.db2.gz GBXCPOFXCKXUSG-QGZVFWFLSA-N 2 2 347.507 2.460 10 0 EEAELP Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663797230 471523435 /nfs/dbraw/zinc/52/34/35/471523435.db2.gz NBVDDKJBVYSHQX-GOSISDBHSA-N 2 2 332.492 2.165 10 0 EEAELP Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663797230 471523440 /nfs/dbraw/zinc/52/34/40/471523440.db2.gz NBVDDKJBVYSHQX-GOSISDBHSA-N 2 2 332.492 2.165 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660992791 471580167 /nfs/dbraw/zinc/58/01/67/471580167.db2.gz UGLUZEJGTNIKLN-HUUCEWRRSA-N 2 2 329.448 2.301 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)c1[nH+]ccn1C ZINC000660992791 471580172 /nfs/dbraw/zinc/58/01/72/471580172.db2.gz UGLUZEJGTNIKLN-HUUCEWRRSA-N 2 2 329.448 2.301 10 0 EEAELP C[C@@H](NC(=O)Nc1cc[nH+]cc1N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000670079209 471671624 /nfs/dbraw/zinc/67/16/24/471671624.db2.gz BIXCWNYRGIHDCI-HUUCEWRRSA-N 2 2 345.491 2.344 10 0 EEAELP C[C@@H](NC(=O)Nc1cc[nH+]cc1N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000670079209 471671627 /nfs/dbraw/zinc/67/16/27/471671627.db2.gz BIXCWNYRGIHDCI-HUUCEWRRSA-N 2 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HNNZEWHRHSGAJR-RCCFBDPRSA-N 2 2 337.508 2.009 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684181833 485792093 /nfs/dbraw/zinc/79/20/93/485792093.db2.gz IKWVQKVOUOUCAE-DLBZAZTESA-N 2 2 328.391 2.131 10 0 EEAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000679821360 485817084 /nfs/dbraw/zinc/81/70/84/485817084.db2.gz JMACKNLAQZIPQS-OXJNMPFZSA-N 2 2 341.499 2.206 10 0 EEAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000679821360 485817088 /nfs/dbraw/zinc/81/70/88/485817088.db2.gz JMACKNLAQZIPQS-OXJNMPFZSA-N 2 2 341.499 2.206 10 0 EEAELP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000675185509 485922596 /nfs/dbraw/zinc/92/25/96/485922596.db2.gz BIQFVLWXVHOCBO-LBPRGKRZSA-N 2 2 347.385 2.119 10 0 EEAELP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)C1 ZINC000680331066 485941857 /nfs/dbraw/zinc/94/18/57/485941857.db2.gz SPUMCYJXNWKRNQ-INIZCTEOSA-N 3 2 345.516 2.146 10 0 EEAELP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)C1 ZINC000680331066 485941862 /nfs/dbraw/zinc/94/18/62/485941862.db2.gz SPUMCYJXNWKRNQ-INIZCTEOSA-N 3 2 345.516 2.146 10 0 EEAELP COCC[NH+]1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000675930899 486098282 /nfs/dbraw/zinc/09/82/82/486098282.db2.gz WLSZCYLJNKJJRI-UHFFFAOYSA-N 2 2 342.487 2.326 10 0 EEAELP CN(C(=O)N[C@H]1CC2CCC1CC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217733 486174832 /nfs/dbraw/zinc/17/48/32/486174832.db2.gz VNDNJZHJCWEPPN-HWMSQKFYSA-N 2 2 348.535 2.375 10 0 EEAELP CN(C(=O)N[C@H]1CC2CCC1CC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217733 486174839 /nfs/dbraw/zinc/17/48/39/486174839.db2.gz VNDNJZHJCWEPPN-HWMSQKFYSA-N 2 2 348.535 2.375 10 0 EEAELP CCc1cccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000120180356 535873425 /nfs/dbraw/zinc/87/34/25/535873425.db2.gz WCVRZTCRZOEWFD-UHFFFAOYSA-N 2 2 343.515 2.466 10 0 EEAELP COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)cc1F ZINC000422640754 536853270 /nfs/dbraw/zinc/85/32/70/536853270.db2.gz WDGVNDBBSOSZQY-CQSZACIVSA-N 2 2 349.450 2.009 10 0 EEAELP Cn1nccc1[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796722 576300472 /nfs/dbraw/zinc/30/04/72/576300472.db2.gz MBYXHABYBZOBOH-OALUTQOASA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796722 576300476 /nfs/dbraw/zinc/30/04/76/576300476.db2.gz MBYXHABYBZOBOH-OALUTQOASA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000726796722 576300478 /nfs/dbraw/zinc/30/04/78/576300478.db2.gz MBYXHABYBZOBOH-OALUTQOASA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000726796722 576300482 /nfs/dbraw/zinc/30/04/82/576300482.db2.gz MBYXHABYBZOBOH-OALUTQOASA-N 2 2 342.487 2.092 10 0 EEAELP Cc1cc(C)cc(C[N@@H+](C)CN2C[C@H](c3c[nH+]cn3C)CC2=O)c1 ZINC000766093115 577512744 /nfs/dbraw/zinc/51/27/44/577512744.db2.gz SCEOXIIDJUOBEF-QGZVFWFLSA-N 2 2 326.444 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ZINC000924899376 681330659 /nfs/dbraw/zinc/33/06/59/681330659.db2.gz VUBDFCDNCVMJAT-MSOLQXFVSA-N 2 2 331.460 2.119 10 0 EEAELP O=C(NCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000924899376 681330662 /nfs/dbraw/zinc/33/06/62/681330662.db2.gz VUBDFCDNCVMJAT-MSOLQXFVSA-N 2 2 331.460 2.119 10 0 EEAELP [NH3+][C@H]1CC[C@H](N(c2cccc[nH+]2)[C@H]2CCCS(=O)(=O)CC2)CC1 ZINC000895112585 683949207 /nfs/dbraw/zinc/94/92/07/683949207.db2.gz BURXDBJLKAPHLB-JYJNAYRXSA-N 2 2 337.489 2.125 10 0 EEAELP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[N@H+](C)CCO2)cc1C(F)(F)F ZINC000899671964 693828572 /nfs/dbraw/zinc/82/85/72/693828572.db2.gz KKKCTOACYPTMAM-CQSZACIVSA-N 2 2 345.365 2.036 10 0 EEAELP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)CCO2)cc1C(F)(F)F ZINC000899671964 693828577 /nfs/dbraw/zinc/82/85/77/693828577.db2.gz KKKCTOACYPTMAM-CQSZACIVSA-N 2 2 345.365 2.036 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/C=C(Cl)Cl)C2)CC1 ZINC000896326325 684944317 /nfs/dbraw/zinc/94/43/17/684944317.db2.gz YDKHOJKGNMDYAL-KMOQFTEPSA-N 2 2 332.275 2.146 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/C=C(Cl)Cl)C2)CC1 ZINC000896326325 684944319 /nfs/dbraw/zinc/94/43/19/684944319.db2.gz YDKHOJKGNMDYAL-KMOQFTEPSA-N 2 2 332.275 2.146 10 0 EEAELP CC[N@H+](CCC(=O)N(C)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000788024433 690885096 /nfs/dbraw/zinc/88/50/96/690885096.db2.gz XFNLBTOMBCYYKF-UHFFFAOYSA-N 2 2 334.464 2.030 10 0 EEAELP CC[N@@H+](CCC(=O)N(C)OC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000788024433 690885100 /nfs/dbraw/zinc/88/51/00/690885100.db2.gz XFNLBTOMBCYYKF-UHFFFAOYSA-N 2 2 334.464 2.030 10 0 EEAELP C[C@H](CC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC001485524008 1191825441 /nfs/dbraw/zinc/82/54/41/1191825441.db2.gz OPYZBSPFSYWJTL-HZPDHXFCSA-N 2 2 326.444 2.471 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001670657585 1176976456 /nfs/dbraw/zinc/97/64/56/1176976456.db2.gz YLPJKYUVUXAIQI-OAHLLOKOSA-N 2 2 330.432 2.182 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001670657585 1176976462 /nfs/dbraw/zinc/97/64/62/1176976462.db2.gz YLPJKYUVUXAIQI-OAHLLOKOSA-N 2 2 330.432 2.182 10 0 EEAELP CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001266748494 1177342791 /nfs/dbraw/zinc/34/27/91/1177342791.db2.gz GHJSGFGNJSNBMM-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691097393 1177573823 /nfs/dbraw/zinc/57/38/23/1177573823.db2.gz KPWNMNOZVFFMJU-ANWGSAMYSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691097393 1177573828 /nfs/dbraw/zinc/57/38/28/1177573828.db2.gz KPWNMNOZVFFMJU-ANWGSAMYSA-N 2 2 330.476 2.461 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691103571 1177581538 /nfs/dbraw/zinc/58/15/38/1177581538.db2.gz IQZJDKIAPHXEIC-ZACQAIPSSA-N 2 2 332.492 2.366 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001691147325 1177639596 /nfs/dbraw/zinc/63/95/96/1177639596.db2.gz TYOWSOGIGOBJRA-IIDMSEBBSA-N 2 2 347.507 2.465 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001691147325 1177639601 /nfs/dbraw/zinc/63/96/01/1177639601.db2.gz TYOWSOGIGOBJRA-IIDMSEBBSA-N 2 2 347.507 2.465 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691167264 1177664745 /nfs/dbraw/zinc/66/47/45/1177664745.db2.gz QSEFFXKFXFHNHL-KCLVAJJLSA-N 2 2 330.476 2.364 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CC[NH2+]Cc1ccccn1 ZINC001691308786 1177881836 /nfs/dbraw/zinc/88/18/36/1177881836.db2.gz GXRWAUIEPIKGCU-WMZOPIPTSA-N 2 2 341.459 2.085 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc2ccccc2s1 ZINC001266996075 1178053697 /nfs/dbraw/zinc/05/36/97/1178053697.db2.gz MOSFBPFOYHDADA-CYBMUJFWSA-N 2 2 328.441 2.392 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001267059419 1178169666 /nfs/dbraw/zinc/16/96/66/1178169666.db2.gz WPYDHTOQCPDTGC-SBLNNXNXSA-N 2 2 338.455 2.494 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267395843 1178965932 /nfs/dbraw/zinc/96/59/32/1178965932.db2.gz NIHIVDAQMSZEFG-OAHLLOKOSA-N 2 2 344.434 2.141 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCc2ccns2)c(C)[nH+]1 ZINC001267406798 1178978588 /nfs/dbraw/zinc/97/85/88/1178978588.db2.gz BWSLZBTZVPUIED-UHFFFAOYSA-N 2 2 332.473 2.368 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001267439282 1179012419 /nfs/dbraw/zinc/01/24/19/1179012419.db2.gz ARUNYBQVAANVEX-OAHLLOKOSA-N 2 2 328.460 2.399 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001267439282 1179012427 /nfs/dbraw/zinc/01/24/27/1179012427.db2.gz ARUNYBQVAANVEX-OAHLLOKOSA-N 2 2 328.460 2.399 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001268016751 1180981414 /nfs/dbraw/zinc/98/14/14/1180981414.db2.gz FWGAAIJAINKKRL-KGLIPLIRSA-N 2 2 341.415 2.127 10 0 EEAELP C[C@@H]([NH2+]CC[C@H]1CCCCO1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001481345879 1181081248 /nfs/dbraw/zinc/08/12/48/1181081248.db2.gz IFVVSXVIMSGPDA-SJLPKXTDSA-N 2 2 348.491 2.059 10 0 EEAELP CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](CCCF)C1 ZINC001481400498 1181215786 /nfs/dbraw/zinc/21/57/86/1181215786.db2.gz HGVCOODKXFEBCT-HOTGVXAUSA-N 2 2 336.455 2.118 10 0 EEAELP CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](CCCF)C1 ZINC001481400498 1181215791 /nfs/dbraw/zinc/21/57/91/1181215791.db2.gz HGVCOODKXFEBCT-HOTGVXAUSA-N 2 2 336.455 2.118 10 0 EEAELP O=C(N[C@H]1CC[C@H](C[NH2+]CCCF)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001272742087 1193097505 /nfs/dbraw/zinc/09/75/05/1193097505.db2.gz KQTZCECSQQQMJT-BZUAXINKSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@H]1C[NH2+]CCC1CC1 ZINC001268195464 1181989374 /nfs/dbraw/zinc/98/93/74/1181989374.db2.gz KUXLRXGDNYHXTE-QAPCUYQASA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001481658634 1182154738 /nfs/dbraw/zinc/15/47/38/1182154738.db2.gz ORXPZGRLXUTHJA-ZDUSSCGKSA-N 2 2 337.414 2.170 10 0 EEAELP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268365219 1182337993 /nfs/dbraw/zinc/33/79/93/1182337993.db2.gz DCGIEMVNACJJSU-ZDRFKOLCSA-N 2 2 339.871 2.027 10 0 EEAELP C[C@H](CC[NH2+]C/C=C\Cl)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268365219 1182337997 /nfs/dbraw/zinc/33/79/97/1182337997.db2.gz DCGIEMVNACJJSU-ZDRFKOLCSA-N 2 2 339.871 2.027 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH+]cn2C)c(C)s1 ZINC001268421942 1182586382 /nfs/dbraw/zinc/58/63/82/1182586382.db2.gz WMEHTQYKJKLFLD-GFCCVEGCSA-N 2 2 349.504 2.111 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC001481780773 1182691960 /nfs/dbraw/zinc/69/19/60/1182691960.db2.gz MKBDSXFPEUWZNQ-GOSISDBHSA-N 2 2 344.434 2.476 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccc(CF)cc2)C1 ZINC001481780773 1182691965 /nfs/dbraw/zinc/69/19/65/1182691965.db2.gz MKBDSXFPEUWZNQ-GOSISDBHSA-N 2 2 344.434 2.476 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001481857463 1182806809 /nfs/dbraw/zinc/80/68/09/1182806809.db2.gz KSZNTSLQTCIKKA-GHMZBOCLSA-N 2 2 333.263 2.021 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C(C)(C)C)on1)C(=O)Cn1cc[nH+]c1C ZINC001268497767 1183013438 /nfs/dbraw/zinc/01/34/38/1183013438.db2.gz GWLVMESKPOGVIC-UHFFFAOYSA-N 2 2 347.463 2.115 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001482058278 1183263311 /nfs/dbraw/zinc/26/33/11/1183263311.db2.gz TVPKZGMIJUKDKJ-KZNAEPCWSA-N 2 2 338.455 2.337 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001482058278 1183263314 /nfs/dbraw/zinc/26/33/14/1183263314.db2.gz TVPKZGMIJUKDKJ-KZNAEPCWSA-N 2 2 338.455 2.337 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CCc1ccccc1 ZINC001482144787 1183462725 /nfs/dbraw/zinc/46/27/25/1183462725.db2.gz XLVFKNQYVGQGPC-KBAYOESNSA-N 2 2 340.471 2.108 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001482174760 1183510313 /nfs/dbraw/zinc/51/03/13/1183510313.db2.gz IQCAQQXXQYQDPX-SJCJKPOMSA-N 2 2 348.397 2.191 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH+]cn2C)c(C)c1 ZINC001268623673 1183546251 /nfs/dbraw/zinc/54/62/51/1183546251.db2.gz VNXQZERQXZBGNO-SNAWJCMRSA-N 2 2 340.471 2.432 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCC[C@@H]2CCOC2)CCCC1 ZINC001269588540 1184413867 /nfs/dbraw/zinc/41/38/67/1184413867.db2.gz RJOYKRDPURSUIO-MRXNPFEDSA-N 2 2 348.491 2.096 10 0 EEAELP C[C@H](O)CCC[NH2+]C[C@@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001269622211 1184447674 /nfs/dbraw/zinc/44/76/74/1184447674.db2.gz DIABYKJMYPEFKQ-ORAYPTAESA-N 2 2 344.459 2.212 10 0 EEAELP CC/C=C\CC[NH+]1CC(N(C)C(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001269849377 1184665235 /nfs/dbraw/zinc/66/52/35/1184665235.db2.gz PMCDYAVYHWAZLG-PLNGDYQASA-N 2 2 346.475 2.383 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001269881930 1184691228 /nfs/dbraw/zinc/69/12/28/1184691228.db2.gz ROBIBUDEQXAFEL-UHFFFAOYSA-N 2 2 330.476 2.386 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CC1=CCCCC1 ZINC001270436222 1185097932 /nfs/dbraw/zinc/09/79/32/1185097932.db2.gz LSONQWZYFKEUKC-RDJZCZTQSA-N 2 2 330.476 2.288 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]CCC(F)(F)F)c[nH+]1 ZINC001270436656 1185099023 /nfs/dbraw/zinc/09/90/23/1185099023.db2.gz QGEBDFXJYATLIZ-LLVKDONJSA-N 2 2 334.386 2.221 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001270526188 1185146669 /nfs/dbraw/zinc/14/66/69/1185146669.db2.gz PFPKDXFVAIOXSA-ZDUSSCGKSA-N 2 2 334.851 2.190 10 0 EEAELP CC(C)n1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC001482353244 1185487556 /nfs/dbraw/zinc/48/75/56/1185487556.db2.gz GBVBJCXIMFQCNW-CQSZACIVSA-N 2 2 346.479 2.101 10 0 EEAELP C[C@H](C[NH2+][C@H](C)c1nc2ccccc2o1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482376484 1185551996 /nfs/dbraw/zinc/55/19/96/1185551996.db2.gz ZOQRHAONTTWDLF-ZIAGYGMSSA-N 2 2 341.415 2.222 10 0 EEAELP CC(C)C[C@H](C[NH2+]CC1CC(F)(F)C1)NC(=O)Cn1cc[nH+]c1 ZINC001482402201 1185628064 /nfs/dbraw/zinc/62/80/64/1185628064.db2.gz ZMBSVLCNXFZZBK-CQSZACIVSA-N 2 2 328.407 2.049 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CCc1ccccc1 ZINC001271759573 1186465461 /nfs/dbraw/zinc/46/54/61/1186465461.db2.gz RZNPDRPUFKQMCF-MJGOQNOKSA-N 2 2 340.471 2.343 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(C2CC2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001482654316 1187486647 /nfs/dbraw/zinc/48/66/47/1187486647.db2.gz FEWONCBBBVWQBI-UHFFFAOYSA-N 2 2 326.444 2.351 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc(C2CC2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001482654316 1187486649 /nfs/dbraw/zinc/48/66/49/1187486649.db2.gz FEWONCBBBVWQBI-UHFFFAOYSA-N 2 2 326.444 2.351 10 0 EEAELP COc1ccc(C)cc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001483175872 1189027467 /nfs/dbraw/zinc/02/74/67/1189027467.db2.gz WVBIRHSTLPFBLH-LSDHHAIUSA-N 2 2 344.459 2.200 10 0 EEAELP COc1ccc(C)cc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001483175872 1189027472 /nfs/dbraw/zinc/02/74/72/1189027472.db2.gz WVBIRHSTLPFBLH-LSDHHAIUSA-N 2 2 344.459 2.200 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1cc(C2CC2)no1)C(=O)Cn1cc[nH+]c1 ZINC001409522119 1189979040 /nfs/dbraw/zinc/97/90/40/1189979040.db2.gz XVBMMKFTPDDYPH-UHFFFAOYSA-N 2 2 345.447 2.023 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccns1 ZINC001409644815 1190140839 /nfs/dbraw/zinc/14/08/39/1190140839.db2.gz SOCLYOSSCNGRGD-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccns1 ZINC001409644815 1190140843 /nfs/dbraw/zinc/14/08/43/1190140843.db2.gz SOCLYOSSCNGRGD-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccns1 ZINC001409644815 1190140847 /nfs/dbraw/zinc/14/08/47/1190140847.db2.gz SOCLYOSSCNGRGD-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC001409644815 1190140852 /nfs/dbraw/zinc/14/08/52/1190140852.db2.gz SOCLYOSSCNGRGD-ZBFHGGJFSA-N 2 2 338.521 2.343 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001483569538 1190558741 /nfs/dbraw/zinc/55/87/41/1190558741.db2.gz AJDGPXIHVJRSBV-SCQSPADBSA-N 2 2 330.476 2.286 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccon1)[NH+]1CCCC1 ZINC001409829841 1190661727 /nfs/dbraw/zinc/66/17/27/1190661727.db2.gz PMDNPNHFAZTAPB-QGZVFWFLSA-N 2 2 348.491 2.410 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccon1)[NH+]1CCCC1 ZINC001409829841 1190661728 /nfs/dbraw/zinc/66/17/28/1190661728.db2.gz PMDNPNHFAZTAPB-QGZVFWFLSA-N 2 2 348.491 2.410 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001483668891 1190728245 /nfs/dbraw/zinc/72/82/45/1190728245.db2.gz MJOZRLLELGLSHY-QGZVFWFLSA-N 2 2 337.427 2.145 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC001483668891 1190728247 /nfs/dbraw/zinc/72/82/47/1190728247.db2.gz MJOZRLLELGLSHY-QGZVFWFLSA-N 2 2 337.427 2.145 10 0 EEAELP Cc1ncsc1CC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483684802 1190748099 /nfs/dbraw/zinc/74/80/99/1190748099.db2.gz YTIAOCZGRDCQAD-DZGCQCFKSA-N 2 2 347.488 2.032 10 0 EEAELP Cc1ncsc1CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483684802 1190748102 /nfs/dbraw/zinc/74/81/02/1190748102.db2.gz YTIAOCZGRDCQAD-DZGCQCFKSA-N 2 2 347.488 2.032 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001272574649 1190889551 /nfs/dbraw/zinc/88/95/51/1190889551.db2.gz SOTSIBPYZUZVCC-AARXDPLKSA-N 2 2 336.867 2.104 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]Cc2cccc(C(C)C)n2)CC1 ZINC001483753049 1190948109 /nfs/dbraw/zinc/94/81/09/1190948109.db2.gz YRCLRSUAPDDZGE-UHFFFAOYSA-N 2 2 341.459 2.149 10 0 EEAELP CC1(NC(=O)Cn2cc[nH+]c2)CC[NH+](Cc2ccccc2F)CC1 ZINC001483975819 1191138319 /nfs/dbraw/zinc/13/83/19/1191138319.db2.gz AWVYMIMZTCLGRI-UHFFFAOYSA-N 2 2 330.407 2.193 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001484542831 1191402855 /nfs/dbraw/zinc/40/28/55/1191402855.db2.gz GRARMNFXXRLLEK-KRWDZBQOSA-N 2 2 326.444 2.023 10 0 EEAELP CC(C)(C(=O)N1CC[C@H](CC[NH2+]C[C@@H]2CCCCO2)C1)c1c[nH+]c[nH]1 ZINC001484547266 1191408363 /nfs/dbraw/zinc/40/83/63/1191408363.db2.gz PEPDIEZBWGKOBS-HOTGVXAUSA-N 2 2 348.491 2.085 10 0 EEAELP CCC1([NH2+]Cc2ocnc2C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001484814948 1191534206 /nfs/dbraw/zinc/53/42/06/1191534206.db2.gz XSBHREAZKNTMCY-UHFFFAOYSA-N 2 2 345.447 2.131 10 0 EEAELP CC[C@H](C)C[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001484865383 1191551141 /nfs/dbraw/zinc/55/11/41/1191551141.db2.gz GXEPNBQDPIQUSO-AWEZNQCLSA-N 2 2 344.459 2.478 10 0 EEAELP CC[C@@H](C(=O)N1CCC(C)([NH2+]CC(F)(F)C(F)F)CC1)[NH+](C)C ZINC001484927698 1191573830 /nfs/dbraw/zinc/57/38/30/1191573830.db2.gz YOQFHKVNMARZBK-NSHDSACASA-N 2 2 341.393 2.198 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]C/C(Cl)=C\Cl ZINC001484994808 1191609774 /nfs/dbraw/zinc/60/97/74/1191609774.db2.gz KTCAVORJUWYHLO-VKXYGBLQSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001485219372 1191690371 /nfs/dbraw/zinc/69/03/71/1191690371.db2.gz XSXKAJYDIQLDNJ-STQMWFEESA-N 2 2 332.423 2.413 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)CCc1[nH+]ccn1C ZINC001485256075 1191713166 /nfs/dbraw/zinc/71/31/66/1191713166.db2.gz GVVNRRXYSYATNS-YVMONPNESA-N 2 2 326.872 2.179 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCCC2)C1 ZINC001485457470 1191796847 /nfs/dbraw/zinc/79/68/47/1191796847.db2.gz PFKMXMPVLZTKCV-OAHLLOKOSA-N 2 2 348.491 2.176 10 0 EEAELP COCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485480422 1191807259 /nfs/dbraw/zinc/80/72/59/1191807259.db2.gz ULPMRSLQZUOECQ-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485480422 1191807260 /nfs/dbraw/zinc/80/72/60/1191807260.db2.gz ULPMRSLQZUOECQ-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485480422 1191807261 /nfs/dbraw/zinc/80/72/61/1191807261.db2.gz ULPMRSLQZUOECQ-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485480422 1191807262 /nfs/dbraw/zinc/80/72/62/1191807262.db2.gz ULPMRSLQZUOECQ-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001486235725 1193762114 /nfs/dbraw/zinc/76/21/14/1193762114.db2.gz FNMMPNVRGPRXKP-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP COCCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001486236465 1193763293 /nfs/dbraw/zinc/76/32/93/1193763293.db2.gz SHTZHQILQGOWSI-MRXNPFEDSA-N 2 2 330.432 2.040 10 0 EEAELP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001410243520 1197629091 /nfs/dbraw/zinc/62/90/91/1197629091.db2.gz WNFLMHPFATXIDH-GJZGRUSLSA-N 2 2 336.455 2.116 10 0 EEAELP CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001410243520 1197629094 /nfs/dbraw/zinc/62/90/94/1197629094.db2.gz WNFLMHPFATXIDH-GJZGRUSLSA-N 2 2 336.455 2.116 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001273276172 1197945688 /nfs/dbraw/zinc/94/56/88/1197945688.db2.gz GWWNEGPGZBVLGT-ZWKOTPCHSA-N 2 2 348.491 2.254 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1CCCN(c3ccccc3Cl)C1=O)C2 ZINC000872153319 1198059903 /nfs/dbraw/zinc/05/99/03/1198059903.db2.gz IPDCQIAGAAFPOI-QANKJYHBSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CCCN(c3ccccc3Cl)C1=O)C2 ZINC000872153319 1198059914 /nfs/dbraw/zinc/05/99/14/1198059914.db2.gz IPDCQIAGAAFPOI-QANKJYHBSA-N 2 2 333.863 2.377 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154057 1198060388 /nfs/dbraw/zinc/06/03/88/1198060388.db2.gz SAZSUPXPWLRRHL-HCCHORAYSA-N 2 2 329.488 2.356 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154057 1198060393 /nfs/dbraw/zinc/06/03/93/1198060393.db2.gz SAZSUPXPWLRRHL-HCCHORAYSA-N 2 2 329.488 2.356 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CCO1 ZINC001273323188 1198162660 /nfs/dbraw/zinc/16/26/60/1198162660.db2.gz MEFCQQKONHICGM-ADDHZHGLSA-N 2 2 334.464 2.008 10 0 EEAELP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H](C)c1c(F)cccc1F ZINC001493009358 1198367500 /nfs/dbraw/zinc/36/75/00/1198367500.db2.gz NCRLFPIBPLTQSB-CYBMUJFWSA-N 2 2 327.419 2.416 10 0 EEAELP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@H](C)c1c(F)cccc1F ZINC001493009358 1198367504 /nfs/dbraw/zinc/36/75/04/1198367504.db2.gz NCRLFPIBPLTQSB-CYBMUJFWSA-N 2 2 327.419 2.416 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)sn1 ZINC001410972220 1198650322 /nfs/dbraw/zinc/65/03/22/1198650322.db2.gz XUGFUCNCSSCARB-CABCVRRESA-N 2 2 347.488 2.113 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)C1 ZINC000870089422 1200459033 /nfs/dbraw/zinc/45/90/33/1200459033.db2.gz CEDPFWUTXVUYRD-APWZRJJASA-N 2 2 349.450 2.078 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)C1 ZINC000870089422 1200459036 /nfs/dbraw/zinc/45/90/36/1200459036.db2.gz CEDPFWUTXVUYRD-APWZRJJASA-N 2 2 349.450 2.078 10 0 EEAELP COc1cc(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc(OC)c1 ZINC000866703641 1201584053 /nfs/dbraw/zinc/58/40/53/1201584053.db2.gz NEEGHNVTPHFURO-IBGZPJMESA-N 2 2 349.475 2.339 10 0 EEAELP COc1cc(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc(OC)c1 ZINC000866703641 1201584056 /nfs/dbraw/zinc/58/40/56/1201584056.db2.gz NEEGHNVTPHFURO-IBGZPJMESA-N 2 2 349.475 2.339 10 0 EEAELP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869105502 1201940796 /nfs/dbraw/zinc/94/07/96/1201940796.db2.gz UQPKHSWJVHAOAK-SFHVURJKSA-N 2 2 330.476 2.156 10 0 EEAELP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869105502 1201940799 /nfs/dbraw/zinc/94/07/99/1201940799.db2.gz UQPKHSWJVHAOAK-SFHVURJKSA-N 2 2 330.476 2.156 10 0 EEAELP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2csc(Cl)n2)CCC1 ZINC001274088509 1204364135 /nfs/dbraw/zinc/36/41/35/1204364135.db2.gz HUWPGBLSBLUDJX-ONEGZZNKSA-N 2 2 342.896 2.043 10 0 EEAELP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001274839942 1205181193 /nfs/dbraw/zinc/18/11/93/1205181193.db2.gz BHGOIUMENAVROO-AWEZNQCLSA-N 2 2 325.416 2.049 10 0 EEAELP CCOCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001274950568 1205216620 /nfs/dbraw/zinc/21/66/20/1205216620.db2.gz RXMUYYXMKKIBRG-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP CCOCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001274950568 1205216624 /nfs/dbraw/zinc/21/66/24/1205216624.db2.gz RXMUYYXMKKIBRG-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP CCOCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001274950568 1205216627 /nfs/dbraw/zinc/21/66/27/1205216627.db2.gz RXMUYYXMKKIBRG-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP CCOCC[N@@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001274950568 1205216632 /nfs/dbraw/zinc/21/66/32/1205216632.db2.gz RXMUYYXMKKIBRG-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H](C)C[NH2+]CCC(F)(F)F)[nH+]c12 ZINC001274957508 1205220053 /nfs/dbraw/zinc/22/00/53/1205220053.db2.gz VGCNVGOIZAJNDB-GFCCVEGCSA-N 2 2 342.365 2.232 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001275189340 1205277791 /nfs/dbraw/zinc/27/77/91/1205277791.db2.gz FTKXIWRESBZXTG-USXIJHARSA-N 2 2 326.444 2.159 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001275189340 1205277793 /nfs/dbraw/zinc/27/77/93/1205277793.db2.gz FTKXIWRESBZXTG-USXIJHARSA-N 2 2 326.444 2.159 10 0 EEAELP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001276083988 1205767528 /nfs/dbraw/zinc/76/75/28/1205767528.db2.gz JFHWEUPFXBTJTQ-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000925020721 1206061577 /nfs/dbraw/zinc/06/15/77/1206061577.db2.gz RWMMJRKDPMKVDP-HXUWFJFHSA-N 2 2 344.503 2.455 10 0 EEAELP C[C@@H](c1cccc(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000926017201 1206182214 /nfs/dbraw/zinc/18/22/14/1206182214.db2.gz HGLDNXKNISQDSD-UXLLHSPISA-N 2 2 346.475 2.329 10 0 EEAELP Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)c(N(C)C)[nH+]1 ZINC000930505854 1206563299 /nfs/dbraw/zinc/56/32/99/1206563299.db2.gz WRWBVQJDIJFPAH-DZGCQCFKSA-N 2 2 349.504 2.157 10 0 EEAELP Cc1ccc(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)c(N(C)C)[nH+]1 ZINC000930505854 1206563300 /nfs/dbraw/zinc/56/33/00/1206563300.db2.gz WRWBVQJDIJFPAH-DZGCQCFKSA-N 2 2 349.504 2.157 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)[C@@H]3CCOC3=O)cc2)C[C@H](C)O1 ZINC000930858795 1206588083 /nfs/dbraw/zinc/58/80/83/1206588083.db2.gz OMQZZMUWJLPWRI-RVKKMQEKSA-N 2 2 332.444 2.043 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)[C@@H]3CCOC3=O)cc2)C[C@H](C)O1 ZINC000930858795 1206588084 /nfs/dbraw/zinc/58/80/84/1206588084.db2.gz OMQZZMUWJLPWRI-RVKKMQEKSA-N 2 2 332.444 2.043 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)[C@@H]3CCOC3=O)cc2)C[C@H](C)O1 ZINC000930858795 1206588085 /nfs/dbraw/zinc/58/80/85/1206588085.db2.gz OMQZZMUWJLPWRI-RVKKMQEKSA-N 2 2 332.444 2.043 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)[C@@H]3CCOC3=O)cc2)C[C@H](C)O1 ZINC000930858795 1206588086 /nfs/dbraw/zinc/58/80/86/1206588086.db2.gz OMQZZMUWJLPWRI-RVKKMQEKSA-N 2 2 332.444 2.043 10 0 EEAELP Nc1cc[nH+]c2c1C[N@H+](CCCOc1ccc3c(c1)OCO3)CC2 ZINC000931512048 1207401681 /nfs/dbraw/zinc/40/16/81/1207401681.db2.gz SOMQFAUURQEDDP-UHFFFAOYSA-N 2 2 327.384 2.220 10 0 EEAELP Nc1cc[nH+]c2c1C[N@@H+](CCCOc1ccc3c(c1)OCO3)CC2 ZINC000931512048 1207401683 /nfs/dbraw/zinc/40/16/83/1207401683.db2.gz SOMQFAUURQEDDP-UHFFFAOYSA-N 2 2 327.384 2.220 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439957 1240477764 /nfs/dbraw/zinc/47/77/64/1240477764.db2.gz RLVJSZJXQMNZHE-HLLBOEOZSA-N 2 2 331.460 2.262 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439957 1240477771 /nfs/dbraw/zinc/47/77/71/1240477771.db2.gz RLVJSZJXQMNZHE-HLLBOEOZSA-N 2 2 331.460 2.262 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c(OC)c1OC ZINC000903954525 1242693134 /nfs/dbraw/zinc/69/31/34/1242693134.db2.gz DKWYQQSCZLZJRU-GFCCVEGCSA-N 2 2 330.375 2.047 10 0 EEAELP COC(=O)[C@H](Cc1cc2ccccc2o1)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000903959935 1242732980 /nfs/dbraw/zinc/73/29/80/1242732980.db2.gz SGKLVXWJMZEVSY-VBQJREDUSA-N 2 2 330.428 2.495 10 0 EEAELP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963897 1242754142 /nfs/dbraw/zinc/75/41/42/1242754142.db2.gz JBVZXZHLPAXZEQ-JTNHKYCSSA-N 2 2 340.265 2.364 10 0 EEAELP C[C@H](CC(=O)N1CCC[C@H](C[NH2+]CCOC2CCC2)C1)n1cc[nH+]c1 ZINC001491172974 1258743086 /nfs/dbraw/zinc/74/30/86/1258743086.db2.gz DMPKWKGYZWJCBQ-IAGOWNOFSA-N 2 2 348.491 2.232 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccsc1 ZINC001491229437 1258818564 /nfs/dbraw/zinc/81/85/64/1258818564.db2.gz HBRVCNIZIYSHGU-OAHLLOKOSA-N 2 2 332.473 2.195 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001491229437 1258818571 /nfs/dbraw/zinc/81/85/71/1258818571.db2.gz HBRVCNIZIYSHGU-OAHLLOKOSA-N 2 2 332.473 2.195 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001491506419 1259157230 /nfs/dbraw/zinc/15/72/30/1259157230.db2.gz BYSJAGRUEQQXOJ-OCCSQVGLSA-N 2 2 348.397 2.018 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001277884086 1305015100 /nfs/dbraw/zinc/01/51/00/1305015100.db2.gz WFNCARAPOMODMX-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCCn3cc[nH+]c3)C2)co1 ZINC001488973117 1290301804 /nfs/dbraw/zinc/30/18/04/1290301804.db2.gz UTPCWIJISXPZTG-JKSUJKDBSA-N 2 2 345.447 2.034 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1cc(C(C)(C)C)on1 ZINC001490281424 1291110813 /nfs/dbraw/zinc/11/08/13/1291110813.db2.gz IZFPJPBDHMRNGL-UHFFFAOYSA-N 2 2 338.496 2.250 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)Cc1cc(C(C)(C)C)on1 ZINC001490281424 1291110817 /nfs/dbraw/zinc/11/08/17/1291110817.db2.gz IZFPJPBDHMRNGL-UHFFFAOYSA-N 2 2 338.496 2.250 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)Cc1cc(C(C)(C)C)on1 ZINC001490281424 1291110825 /nfs/dbraw/zinc/11/08/25/1291110825.db2.gz IZFPJPBDHMRNGL-UHFFFAOYSA-N 2 2 338.496 2.250 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)Cc1cc(C(C)(C)C)on1 ZINC001490281424 1291110833 /nfs/dbraw/zinc/11/08/33/1291110833.db2.gz IZFPJPBDHMRNGL-UHFFFAOYSA-N 2 2 338.496 2.250 10 0 EEAELP O=C(NCCC[N@H+](CCC1CC1)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001490377276 1291261562 /nfs/dbraw/zinc/26/15/62/1291261562.db2.gz KGNUDGXRNMHJSB-MRXNPFEDSA-N 2 2 330.476 2.216 10 0 EEAELP O=C(NCCC[N@@H+](CCC1CC1)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001490377276 1291261572 /nfs/dbraw/zinc/26/15/72/1291261572.db2.gz KGNUDGXRNMHJSB-MRXNPFEDSA-N 2 2 330.476 2.216 10 0 EEAELP CC(C)OC[C@H]([NH3+])c1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000854139010 1292643647 /nfs/dbraw/zinc/64/36/47/1292643647.db2.gz CAOHUKLEYVMGPG-HNNXBMFYSA-N 2 2 334.420 2.102 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/c1ccc2ccccc2n1 ZINC000855416091 1293210307 /nfs/dbraw/zinc/21/03/07/1293210307.db2.gz FFARCOSAWJSJFR-VAWYXSNFSA-N 2 2 340.471 2.248 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/c1ccc2ccccc2n1 ZINC000855416091 1293210318 /nfs/dbraw/zinc/21/03/18/1293210318.db2.gz FFARCOSAWJSJFR-VAWYXSNFSA-N 2 2 340.471 2.248 10 0 EEAELP [NH2+]=C(NOCc1ccnc(F)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000863465739 1296296238 /nfs/dbraw/zinc/29/62/38/1296296238.db2.gz KIBCCPBIANLZFN-INIZCTEOSA-N 2 2 344.390 2.120 10 0 EEAELP [NH2+]=C(NOCc1ccnc(F)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000863465739 1296296246 /nfs/dbraw/zinc/29/62/46/1296296246.db2.gz KIBCCPBIANLZFN-INIZCTEOSA-N 2 2 344.390 2.120 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCCCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001277001061 1300763434 /nfs/dbraw/zinc/76/34/34/1300763434.db2.gz HXSLKGSBJSOYJJ-JYJNAYRXSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001277327609 1302430183 /nfs/dbraw/zinc/43/01/83/1302430183.db2.gz AVSWWUNTUVRKAV-GFCCVEGCSA-N 2 2 336.386 2.305 10 0 EEAELP COCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001277537710 1303852881 /nfs/dbraw/zinc/85/28/81/1303852881.db2.gz KFHQDUHRDCSQPV-LJQANCHMSA-N 2 2 348.491 2.038 10 0 EEAELP COCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001277537710 1303852883 /nfs/dbraw/zinc/85/28/83/1303852883.db2.gz KFHQDUHRDCSQPV-LJQANCHMSA-N 2 2 348.491 2.038 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CN(C(=O)OC(C)(C)C)C1 ZINC000843403224 1315908227 /nfs/dbraw/zinc/90/82/27/1315908227.db2.gz VBTJELPSEPJSAK-ILXRZTDVSA-N 2 2 334.464 2.433 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@@H+]1Cc1ccon1 ZINC001278532250 1317160809 /nfs/dbraw/zinc/16/08/09/1317160809.db2.gz ALWSGUQOSDETLQ-WMZOPIPTSA-N 2 2 348.491 2.410 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@H+]1Cc1ccon1 ZINC001278532250 1317160813 /nfs/dbraw/zinc/16/08/13/1317160813.db2.gz ALWSGUQOSDETLQ-WMZOPIPTSA-N 2 2 348.491 2.410 10 0 EEAELP CCC/C=C/CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001671144421 1320713688 /nfs/dbraw/zinc/71/36/88/1320713688.db2.gz HQXOSONKWVBBQA-SQRWCISFSA-N 2 2 330.476 2.335 10 0 EEAELP CCOCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001264496941 1322710664 /nfs/dbraw/zinc/71/06/64/1322710664.db2.gz HCQTZRDGLHOUDT-MRXNPFEDSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1ncoc1C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001264517471 1322721614 /nfs/dbraw/zinc/72/16/14/1322721614.db2.gz GOLGTJZXOOSMMV-DZGCQCFKSA-N 2 2 345.447 2.056 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)cs1 ZINC001264728946 1322793515 /nfs/dbraw/zinc/79/35/15/1322793515.db2.gz WPURCOVIZABSQI-CJNGLKHVSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)cs1 ZINC001264728946 1322793519 /nfs/dbraw/zinc/79/35/19/1322793519.db2.gz WPURCOVIZABSQI-CJNGLKHVSA-N 2 2 338.521 2.262 10 0 EEAELP CC(C)=CC[N@H+](C)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001264989635 1322838206 /nfs/dbraw/zinc/83/82/06/1322838206.db2.gz YPNBQFFMXSBLJB-QGZVFWFLSA-N 2 2 333.480 2.194 10 0 EEAELP CC(C)=CC[N@@H+](C)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001264989635 1322838211 /nfs/dbraw/zinc/83/82/11/1322838211.db2.gz YPNBQFFMXSBLJB-QGZVFWFLSA-N 2 2 333.480 2.194 10 0 EEAELP CC(C)=CC[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001264989635 1322838216 /nfs/dbraw/zinc/83/82/16/1322838216.db2.gz YPNBQFFMXSBLJB-QGZVFWFLSA-N 2 2 333.480 2.194 10 0 EEAELP CC(C)=CC[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001264989635 1322838223 /nfs/dbraw/zinc/83/82/23/1322838223.db2.gz YPNBQFFMXSBLJB-QGZVFWFLSA-N 2 2 333.480 2.194 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001265990557 1323549351 /nfs/dbraw/zinc/54/93/51/1323549351.db2.gz QZKUQCSXHLBTAD-HOTGVXAUSA-N 2 2 336.455 2.023 10 0 EEAELP CCCCCC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001280394427 1324197764 /nfs/dbraw/zinc/19/77/64/1324197764.db2.gz MJXREVQLSMRMKY-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1C[NH+](CCCCCF)C1 ZINC001282726461 1325773497 /nfs/dbraw/zinc/77/34/97/1325773497.db2.gz SPIMIAWXNYOWLN-HUUCEWRRSA-N 2 2 336.455 2.022 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001283681854 1326199359 /nfs/dbraw/zinc/19/93/59/1326199359.db2.gz WQTUXLBACGQCIF-INIZCTEOSA-N 2 2 344.459 2.085 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001284632915 1326640309 /nfs/dbraw/zinc/64/03/09/1326640309.db2.gz VJHFHZMZSZZINO-INMHGKMJSA-N 2 2 332.492 2.444 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@H+](CCCCC(F)(F)F)CC1 ZINC001284956436 1326793945 /nfs/dbraw/zinc/79/39/45/1326793945.db2.gz DGJCUISGMQFTCX-UHFFFAOYSA-N 2 2 344.381 2.433 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@@H+](CCCCC(F)(F)F)CC1 ZINC001284956436 1326793946 /nfs/dbraw/zinc/79/39/46/1326793946.db2.gz DGJCUISGMQFTCX-UHFFFAOYSA-N 2 2 344.381 2.433 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCC1CCCC1 ZINC001316833123 1331363739 /nfs/dbraw/zinc/36/37/39/1331363739.db2.gz ALTFANBARPUPJO-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCC1CCCC1 ZINC001316833123 1331363744 /nfs/dbraw/zinc/36/37/44/1331363744.db2.gz ALTFANBARPUPJO-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317132894 1331850623 /nfs/dbraw/zinc/85/06/23/1331850623.db2.gz UOMDKYXHPJTOIE-INIZCTEOSA-N 2 2 344.459 2.121 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317132894 1331850626 /nfs/dbraw/zinc/85/06/26/1331850626.db2.gz UOMDKYXHPJTOIE-INIZCTEOSA-N 2 2 344.459 2.121 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ccon1 ZINC001316828741 1331918708 /nfs/dbraw/zinc/91/87/08/1331918708.db2.gz TZSLNZOXQWPOPA-QGZVFWFLSA-N 2 2 334.464 2.020 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ccon1 ZINC001316828741 1331918709 /nfs/dbraw/zinc/91/87/09/1331918709.db2.gz TZSLNZOXQWPOPA-QGZVFWFLSA-N 2 2 334.464 2.020 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ccon1 ZINC001316828741 1331918711 /nfs/dbraw/zinc/91/87/11/1331918711.db2.gz TZSLNZOXQWPOPA-QGZVFWFLSA-N 2 2 334.464 2.020 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ccon1 ZINC001316828741 1331918715 /nfs/dbraw/zinc/91/87/15/1331918715.db2.gz TZSLNZOXQWPOPA-QGZVFWFLSA-N 2 2 334.464 2.020 10 0 EEAELP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317116565 1332085844 /nfs/dbraw/zinc/08/58/44/1332085844.db2.gz YFXNLESTFBUCEG-MGJQNXGFSA-N 2 2 330.476 2.429 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]Cc2cc(C3CC3)no2)c[nH+]1 ZINC001317599371 1332318485 /nfs/dbraw/zinc/31/84/85/1332318485.db2.gz TWDVGMNPWYAECP-UHFFFAOYSA-N 2 2 345.447 2.040 10 0 EEAELP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC001317654897 1332351364 /nfs/dbraw/zinc/35/13/64/1332351364.db2.gz LJWAKQIBJLBICP-UHFFFAOYSA-N 2 2 343.475 2.454 10 0 EEAELP O=C(NC1(C[NH2+]CCC2CC2)CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001318642449 1332571907 /nfs/dbraw/zinc/57/19/07/1332571907.db2.gz NBHQJJCNISYGDU-INIZCTEOSA-N 2 2 330.476 2.264 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]Cc2ccc(Cl)nc2)CCCC1 ZINC001318664022 1332574106 /nfs/dbraw/zinc/57/41/06/1332574106.db2.gz LDJNOANWZYBABT-UHFFFAOYSA-N 2 2 347.850 2.219 10 0 EEAELP COCCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001318959953 1332629405 /nfs/dbraw/zinc/62/94/05/1332629405.db2.gz VUKFYZFGJSIPDA-SHTZXODSSA-N 2 2 330.432 2.230 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]C[C@@H]3CCCCO3)ccn12 ZINC001320414785 1332877993 /nfs/dbraw/zinc/87/79/93/1332877993.db2.gz LYXLHWRGFDRPSB-YOEHRIQHSA-N 2 2 344.459 2.310 10 0 EEAELP C[C@H](CC[NH2+]Cc1nc(C(C)(C)C)cs1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001320561442 1332910748 /nfs/dbraw/zinc/91/07/48/1332910748.db2.gz IISXPWYHZGWHAF-GFCCVEGCSA-N 2 2 349.504 2.391 10 0 EEAELP O=C(NCC=CC[NH2+]CC[C@@H]1CCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001321119999 1333023591 /nfs/dbraw/zinc/02/35/91/1333023591.db2.gz DAFIRDBXRIUAMQ-YLSAJCSVSA-N 2 2 328.416 2.008 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1F ZINC001321433876 1333104265 /nfs/dbraw/zinc/10/42/65/1333104265.db2.gz XSJCUFLNTDNYII-UPHRSURJSA-N 2 2 336.798 2.138 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccc(Cl)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001321761028 1333153981 /nfs/dbraw/zinc/15/39/81/1333153981.db2.gz XQCBWWVBTBHESK-BAABZTOOSA-N 2 2 332.835 2.344 10 0 EEAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)[nH]n1 ZINC001322999939 1333366836 /nfs/dbraw/zinc/36/68/36/1333366836.db2.gz KKDUEOHNJDEQDT-ROUUACIJSA-N 2 2 345.491 2.075 10 0 EEAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CC2)[nH]n1 ZINC001322999939 1333366841 /nfs/dbraw/zinc/36/68/41/1333366841.db2.gz KKDUEOHNJDEQDT-ROUUACIJSA-N 2 2 345.491 2.075 10 0 EEAELP COCCCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)[C@@H](C)C1 ZINC001324069169 1333601042 /nfs/dbraw/zinc/60/10/42/1333601042.db2.gz YOFMYMBIVFKINV-DOTOQJQBSA-N 2 2 349.475 2.028 10 0 EEAELP CCCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001325056156 1333820792 /nfs/dbraw/zinc/82/07/92/1333820792.db2.gz YEIJSVZENVFUAS-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CCCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001325056156 1333820794 /nfs/dbraw/zinc/82/07/94/1333820794.db2.gz YEIJSVZENVFUAS-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CCOCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001327532397 1334311020 /nfs/dbraw/zinc/31/10/20/1334311020.db2.gz XIMSMZFKFGMSSU-HKUYNNGSSA-N 2 2 348.491 2.185 10 0 EEAELP CCOCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001327532397 1334311025 /nfs/dbraw/zinc/31/10/25/1334311025.db2.gz XIMSMZFKFGMSSU-HKUYNNGSSA-N 2 2 348.491 2.185 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCOC2CCCCCC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001332026319 1335708509 /nfs/dbraw/zinc/70/85/09/1335708509.db2.gz JUOUZNBEPVTHNY-WBVHZDCISA-N 2 2 348.491 2.271 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001413861502 1338273887 /nfs/dbraw/zinc/27/38/87/1338273887.db2.gz TZDHHASFFGDJIR-LPHOPBHVSA-N 2 2 336.439 2.211 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001413861502 1338273889 /nfs/dbraw/zinc/27/38/89/1338273889.db2.gz TZDHHASFFGDJIR-LPHOPBHVSA-N 2 2 336.439 2.211 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)C1 ZINC000848659769 1338737415 /nfs/dbraw/zinc/73/74/15/1338737415.db2.gz RUKBWEXYXVTNMU-JKSUJKDBSA-N 2 2 345.491 2.378 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)n2)C1 ZINC000848659769 1338737417 /nfs/dbraw/zinc/73/74/17/1338737417.db2.gz RUKBWEXYXVTNMU-JKSUJKDBSA-N 2 2 345.491 2.378 10 0 EEAELP C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001432582524 1341334663 /nfs/dbraw/zinc/33/46/63/1341334663.db2.gz OBCCXQSMAUXGHQ-GOEBONIOSA-N 2 2 332.492 2.463 10 0 EEAELP CC[NH2+]CC[C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001666156123 1355469919 /nfs/dbraw/zinc/46/99/19/1355469919.db2.gz CCEBUHHGWQAYIE-INIZCTEOSA-N 2 2 328.460 2.423 10 0 EEAELP c1cc(O[C@@H]2CC[N@@H+](CCOc3ccc4c(c3)OCO4)C2)cc[nH+]1 ZINC001434468102 1341850719 /nfs/dbraw/zinc/85/07/19/1341850719.db2.gz NGGIYVDKXYXHEI-MRXNPFEDSA-N 2 2 328.368 2.342 10 0 EEAELP c1cc(O[C@@H]2CC[N@H+](CCOc3ccc4c(c3)OCO4)C2)cc[nH+]1 ZINC001434468102 1341850720 /nfs/dbraw/zinc/85/07/20/1341850720.db2.gz NGGIYVDKXYXHEI-MRXNPFEDSA-N 2 2 328.368 2.342 10 0 EEAELP Cc1oncc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001436332924 1342036810 /nfs/dbraw/zinc/03/68/10/1342036810.db2.gz KZYGWBFAMLDAPW-MSOLQXFVSA-N 2 2 348.491 2.136 10 0 EEAELP Cc1oncc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001436332924 1342036812 /nfs/dbraw/zinc/03/68/12/1342036812.db2.gz KZYGWBFAMLDAPW-MSOLQXFVSA-N 2 2 348.491 2.136 10 0 EEAELP CCc1nocc1C[NH2+]CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001670139124 1356283623 /nfs/dbraw/zinc/28/36/23/1356283623.db2.gz UEOPJFXVWHVIDX-UHFFFAOYSA-N 2 2 347.463 2.115 10 0 EEAELP CCC1([NH2+]Cc2ccns2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502496576 1342198934 /nfs/dbraw/zinc/19/89/34/1342198934.db2.gz ZDLNIFRQUGTZJD-UHFFFAOYSA-N 2 2 347.488 2.360 10 0 EEAELP CCC1([NH2+]Cc2ccns2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502496576 1342198936 /nfs/dbraw/zinc/19/89/36/1342198936.db2.gz ZDLNIFRQUGTZJD-UHFFFAOYSA-N 2 2 347.488 2.360 10 0 EEAELP COCC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001507356630 1342318066 /nfs/dbraw/zinc/31/80/66/1342318066.db2.gz OOKWXWRZHJJNEV-JENIJYKNSA-N 2 2 348.491 2.230 10 0 EEAELP COCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CCC[C@H]12 ZINC001507356630 1342318071 /nfs/dbraw/zinc/31/80/71/1342318071.db2.gz OOKWXWRZHJJNEV-JENIJYKNSA-N 2 2 348.491 2.230 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001567400623 1342754322 /nfs/dbraw/zinc/75/43/22/1342754322.db2.gz QCGPMFFERFVWKK-INIZCTEOSA-N 2 2 344.459 2.121 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001567400623 1342754324 /nfs/dbraw/zinc/75/43/24/1342754324.db2.gz QCGPMFFERFVWKK-INIZCTEOSA-N 2 2 344.459 2.121 10 0 EEAELP Cc1csc(C[NH2+]CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)n1 ZINC001569985221 1342989150 /nfs/dbraw/zinc/98/91/50/1342989150.db2.gz NSYAYQXDRQWCSD-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001676360725 1357140621 /nfs/dbraw/zinc/14/06/21/1357140621.db2.gz WSSQWOCAELYKNB-NWDGAFQWSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001676360725 1357140625 /nfs/dbraw/zinc/14/06/25/1357140625.db2.gz WSSQWOCAELYKNB-NWDGAFQWSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001676734667 1357189271 /nfs/dbraw/zinc/18/92/71/1357189271.db2.gz GEILZJGWOLGJLE-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001676734667 1357189274 /nfs/dbraw/zinc/18/92/74/1357189274.db2.gz GEILZJGWOLGJLE-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP CNc1cc(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc[nH+]1 ZINC001649279157 1353454678 /nfs/dbraw/zinc/45/46/78/1353454678.db2.gz ODUDPWNPGZWPEL-HNNXBMFYSA-N 2 2 343.431 2.353 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cnc(Cl)s1)NC(=O)Cn1cc[nH+]c1 ZINC001649468820 1353521869 /nfs/dbraw/zinc/52/18/69/1353521869.db2.gz DTNXIYPCFNDIMG-NSHDSACASA-N 2 2 341.868 2.068 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCCCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001656113466 1354203994 /nfs/dbraw/zinc/20/39/94/1354203994.db2.gz YTJZSHOCTMKUCV-LJQANCHMSA-N 2 2 340.471 2.439 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CCCCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001656113466 1354203998 /nfs/dbraw/zinc/20/39/98/1354203998.db2.gz YTJZSHOCTMKUCV-LJQANCHMSA-N 2 2 340.471 2.439 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)NCCC[N@H+](C)Cc1ccon1 ZINC001660161691 1354407210 /nfs/dbraw/zinc/40/72/10/1354407210.db2.gz CZANZVDZVZVPLX-UHFFFAOYSA-N 2 2 336.461 2.050 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)NCCC[N@@H+](C)Cc1ccon1 ZINC001660161691 1354407211 /nfs/dbraw/zinc/40/72/11/1354407211.db2.gz CZANZVDZVZVPLX-UHFFFAOYSA-N 2 2 336.461 2.050 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H]1CC(C)(C)CO1 ZINC001660541520 1354484727 /nfs/dbraw/zinc/48/47/27/1354484727.db2.gz CGOFENKOBDPSLK-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H]1CC(C)(C)CO1 ZINC001660541520 1354484729 /nfs/dbraw/zinc/48/47/29/1354484729.db2.gz CGOFENKOBDPSLK-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H]1CC(C)(C)CO1 ZINC001660541520 1354484732 /nfs/dbraw/zinc/48/47/32/1354484732.db2.gz CGOFENKOBDPSLK-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H]1CC(C)(C)CO1 ZINC001660541520 1354484733 /nfs/dbraw/zinc/48/47/33/1354484733.db2.gz CGOFENKOBDPSLK-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)=CC[NH2+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001661132304 1354596128 /nfs/dbraw/zinc/59/61/28/1354596128.db2.gz VNALQJGKRWLQGG-KRWDZBQOSA-N 2 2 330.476 2.213 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]([NH2+]Cc1cccc(Cl)n1)C1CC1 ZINC001661152421 1354598071 /nfs/dbraw/zinc/59/80/71/1354598071.db2.gz PYUNWZCYLONKNK-HNNXBMFYSA-N 2 2 347.850 2.006 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001661640190 1354667682 /nfs/dbraw/zinc/66/76/82/1354667682.db2.gz FJLVGVAFUBQBSG-JQWXZWABSA-N 2 2 349.519 2.223 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001661640190 1354667686 /nfs/dbraw/zinc/66/76/86/1354667686.db2.gz FJLVGVAFUBQBSG-JQWXZWABSA-N 2 2 349.519 2.223 10 0 EEAELP CC(C)OCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001661871613 1354715447 /nfs/dbraw/zinc/71/54/47/1354715447.db2.gz VXGYWGGBPCVYEC-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001661871613 1354715452 /nfs/dbraw/zinc/71/54/52/1354715452.db2.gz VXGYWGGBPCVYEC-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001661871613 1354715454 /nfs/dbraw/zinc/71/54/54/1354715454.db2.gz VXGYWGGBPCVYEC-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001661871613 1354715461 /nfs/dbraw/zinc/71/54/61/1354715461.db2.gz VXGYWGGBPCVYEC-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001661880890 1354717196 /nfs/dbraw/zinc/71/71/96/1354717196.db2.gz QBNZOXOQYOKKGR-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001661880890 1354717197 /nfs/dbraw/zinc/71/71/97/1354717197.db2.gz QBNZOXOQYOKKGR-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCC1=CCCCC1 ZINC001662261825 1354770990 /nfs/dbraw/zinc/77/09/90/1354770990.db2.gz GRAWKZUQQUBAEF-DOTOQJQBSA-N 2 2 330.476 2.430 10 0 EEAELP C[C@@](C[NH2+]CCC(F)(F)F)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001666000959 1355422759 /nfs/dbraw/zinc/42/27/59/1355422759.db2.gz VGGHWOUHISJGET-AWEZNQCLSA-N 2 2 332.370 2.169 10 0 EEAELP C[C@@](C[NH2+]CCC(F)(F)F)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001666000959 1355422760 /nfs/dbraw/zinc/42/27/60/1355422760.db2.gz VGGHWOUHISJGET-AWEZNQCLSA-N 2 2 332.370 2.169 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@](C)(C[NH2+]C/C=C/Cl)C1CC1 ZINC001666022270 1355427076 /nfs/dbraw/zinc/42/70/76/1355427076.db2.gz VDOQOFJZXJPRNL-WSLZSUPYSA-N 2 2 336.867 2.151 10 0 EEAELP C[C@@H]1CCCC[C@@]1(C[NH2+]CCC(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001666069886 1355440253 /nfs/dbraw/zinc/44/02/53/1355440253.db2.gz 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QZZAINKWURFNDG-IRXDYDNUSA-N 2 2 348.491 2.184 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ncc(C)o1)C1CC1 ZINC001507037141 1115073817 /nfs/dbraw/zinc/07/38/17/1115073817.db2.gz QZZAINKWURFNDG-IRXDYDNUSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(F)c1 ZINC001507094235 1115104801 /nfs/dbraw/zinc/10/48/01/1115104801.db2.gz UDILGDNREMVKAA-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCOCC2CC2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507281496 1115172164 /nfs/dbraw/zinc/17/21/64/1115172164.db2.gz HXQCDLHRUMTCFK-CZUORRHYSA-N 2 2 342.443 2.182 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]([NH2+]CCCC2CCOCC2)C[C@@H]1C ZINC001507330294 1115196168 /nfs/dbraw/zinc/19/61/68/1115196168.db2.gz YYTYEMLDOAEQHQ-YOEHRIQHSA-N 2 2 348.491 2.046 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001507417708 1115258947 /nfs/dbraw/zinc/25/89/47/1115258947.db2.gz YAAYGSLYBSUVFF-SJORKVTESA-N 2 2 332.492 2.417 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001507963032 1115381249 /nfs/dbraw/zinc/38/12/49/1115381249.db2.gz DYMHXBBSOBHCAC-KMEUXCNSSA-N 2 2 338.883 2.319 10 0 EEAELP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2ncoc2C(C)C)CC1 ZINC001508229044 1115454281 /nfs/dbraw/zinc/45/42/81/1115454281.db2.gz JVXFEBWTSKHZAZ-UHFFFAOYSA-N 2 2 348.491 2.388 10 0 EEAELP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+](Cc2ncoc2C(C)C)CC1 ZINC001508229044 1115454282 /nfs/dbraw/zinc/45/42/82/1115454282.db2.gz JVXFEBWTSKHZAZ-UHFFFAOYSA-N 2 2 348.491 2.388 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@H+](Cc2ncoc2C(C)C)CC1 ZINC001508229044 1115454284 /nfs/dbraw/zinc/45/42/84/1115454284.db2.gz JVXFEBWTSKHZAZ-UHFFFAOYSA-N 2 2 348.491 2.388 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001568143529 1124325125 /nfs/dbraw/zinc/32/51/25/1124325125.db2.gz PSSANQIWMKRLHT-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001568353842 1124433088 /nfs/dbraw/zinc/43/30/88/1124433088.db2.gz HQNDLGDTEXVHHM-YOEHRIQHSA-N 2 2 344.459 2.119 10 0 EEAELP CCc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001568392948 1124462235 /nfs/dbraw/zinc/46/22/35/1124462235.db2.gz ANGAMBCDKXZECJ-OAHLLOKOSA-N 2 2 345.447 2.064 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]CCCc1ccsc1 ZINC001568545198 1124604492 /nfs/dbraw/zinc/60/44/92/1124604492.db2.gz MQUUTYLWFCMUHZ-IRXDYDNUSA-N 2 2 346.500 2.452 10 0 EEAELP C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001568649756 1124661536 /nfs/dbraw/zinc/66/15/36/1124661536.db2.gz PGLLYDWFJORPQE-RYUDHWBXSA-N 2 2 345.274 2.249 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)CCc1c[nH+]cn1C ZINC001568703986 1124720733 /nfs/dbraw/zinc/72/07/33/1124720733.db2.gz ZGKWAAIRXPNLOZ-LAPSENCUSA-N 2 2 333.263 2.156 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568749699 1124763637 /nfs/dbraw/zinc/76/36/37/1124763637.db2.gz NYLPTCNFZKZDTI-IAGOWNOFSA-N 2 2 341.459 2.163 10 0 EEAELP COc1ccc(Cl)cc1C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001568974254 1125014291 /nfs/dbraw/zinc/01/42/91/1125014291.db2.gz ZPSPGKGQPUUPCR-IHWYPQMZSA-N 2 2 348.834 2.007 10 0 EEAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000113586886 539396042 /nfs/dbraw/zinc/39/60/42/539396042.db2.gz ZNDNYBPYWBNOMN-SWLSCSKDSA-N 2 2 347.850 2.366 10 0 EEAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000113586886 539396045 /nfs/dbraw/zinc/39/60/45/539396045.db2.gz ZNDNYBPYWBNOMN-SWLSCSKDSA-N 2 2 347.850 2.366 10 0 EEAELP CCOC(=O)Cc1[nH+]c2ccc(N)cn2c1C[N@@H+]1CCC[C@H](C)C1 ZINC000036275026 213079774 /nfs/dbraw/zinc/07/97/74/213079774.db2.gz CZLDLAHLTHBWFL-ZDUSSCGKSA-N 2 2 330.432 2.254 10 0 EEAELP CCOC(=O)Cc1[nH+]c2ccc(N)cn2c1C[N@H+]1CCC[C@H](C)C1 ZINC000036275026 213079776 /nfs/dbraw/zinc/07/97/76/213079776.db2.gz CZLDLAHLTHBWFL-ZDUSSCGKSA-N 2 2 330.432 2.254 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423084764 240359160 /nfs/dbraw/zinc/35/91/60/240359160.db2.gz IVKPSPKMCIYUCQ-GOTCIRLWSA-N 3 2 349.441 2.148 10 0 EEAELP COCCN(C)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000191426149 239106766 /nfs/dbraw/zinc/10/67/66/239106766.db2.gz JCPZNRDTAGWSEH-SFHVURJKSA-N 2 2 343.475 2.334 10 0 EEAELP COCCN(C)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cn1 ZINC000191426149 239106770 /nfs/dbraw/zinc/10/67/70/239106770.db2.gz JCPZNRDTAGWSEH-SFHVURJKSA-N 2 2 343.475 2.334 10 0 EEAELP c1ccc(CN2CCC[C@@H]2C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422739779 240203151 /nfs/dbraw/zinc/20/31/51/240203151.db2.gz LUROGLXAIOGSIC-VAMGGRTRSA-N 2 2 329.488 2.008 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCC(=O)NC(C)(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422953294 240305851 /nfs/dbraw/zinc/30/58/51/240305851.db2.gz FDZQJZMNGNGZOK-FUHWJXTLSA-N 2 2 333.476 2.383 10 0 EEAELP FC(F)(F)c1ccccc1OCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422954860 240306371 /nfs/dbraw/zinc/30/63/71/240306371.db2.gz IGLBLKPQHSJBJS-JKSUJKDBSA-N 2 2 344.377 2.441 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c(N2CCOCC2)c1 ZINC000422867958 240267062 /nfs/dbraw/zinc/26/70/62/240267062.db2.gz TZXXBCIYVHBJDY-HNNXBMFYSA-N 2 2 326.444 2.490 10 0 EEAELP c1cc(N2CCCCCC2)ncc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422893466 240279464 /nfs/dbraw/zinc/27/94/64/240279464.db2.gz QRIFHTIMAHRKFU-QUCCMNQESA-N 2 2 344.503 2.319 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140443 240380815 /nfs/dbraw/zinc/38/08/15/240380815.db2.gz YGXCJVBIYAUABJ-ZCNNSNEGSA-N 3 2 343.515 2.385 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140443 240380818 /nfs/dbraw/zinc/38/08/18/240380818.db2.gz YGXCJVBIYAUABJ-ZCNNSNEGSA-N 3 2 343.515 2.385 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000446713927 242214734 /nfs/dbraw/zinc/21/47/34/242214734.db2.gz BYIAZQLAEVVCSY-XLIONFOSSA-N 2 2 329.488 2.203 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000446713927 242214741 /nfs/dbraw/zinc/21/47/41/242214741.db2.gz BYIAZQLAEVVCSY-XLIONFOSSA-N 2 2 329.488 2.203 10 0 EEAELP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000446754834 242218481 /nfs/dbraw/zinc/21/84/81/242218481.db2.gz ROFZJGMXHYFOIR-FUHWJXTLSA-N 2 2 329.448 2.102 10 0 EEAELP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000446754834 242218484 /nfs/dbraw/zinc/21/84/84/242218484.db2.gz ROFZJGMXHYFOIR-FUHWJXTLSA-N 2 2 329.448 2.102 10 0 EEAELP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000236730658 242337636 /nfs/dbraw/zinc/33/76/36/242337636.db2.gz MLKAAGVFYMAHEO-GUYCJALGSA-N 2 2 339.430 2.419 10 0 EEAELP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000236730658 242337638 /nfs/dbraw/zinc/33/76/38/242337638.db2.gz MLKAAGVFYMAHEO-GUYCJALGSA-N 2 2 339.430 2.419 10 0 EEAELP CC(C)C[C@@H]1C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000459244298 245045684 /nfs/dbraw/zinc/04/56/84/245045684.db2.gz UOCBQQBQTXJEGG-BSLJZLGVSA-N 2 2 348.535 2.373 10 0 EEAELP CC(C)C[C@@H]1C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000459244298 245045690 /nfs/dbraw/zinc/04/56/90/245045690.db2.gz UOCBQQBQTXJEGG-BSLJZLGVSA-N 2 2 348.535 2.373 10 0 EEAELP C[C@@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000049557739 214019174 /nfs/dbraw/zinc/01/91/74/214019174.db2.gz AASJIYMFBLOQLY-NSHDSACASA-N 2 2 328.254 2.317 10 0 EEAELP C[C@@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1ccccc1Br ZINC000049557741 214019269 /nfs/dbraw/zinc/01/92/69/214019269.db2.gz BIPCHRIBWFORED-NSHDSACASA-N 2 2 328.254 2.317 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)[nH+]c2c1 ZINC000265090980 247193868 /nfs/dbraw/zinc/19/38/68/247193868.db2.gz PTTZBYPMAZEVCF-HOCLYGCPSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)[nH+]c2c1 ZINC000265090980 247193871 /nfs/dbraw/zinc/19/38/71/247193871.db2.gz PTTZBYPMAZEVCF-HOCLYGCPSA-N 2 2 327.432 2.021 10 0 EEAELP CCc1ccc(C[NH+]2CCN([C@H](C)C[NH+]3CCOCC3)CC2)s1 ZINC000091580266 218024438 /nfs/dbraw/zinc/02/44/38/218024438.db2.gz SJEURBDDRCAJIY-MRXNPFEDSA-N 2 2 337.533 2.149 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000273024995 256258162 /nfs/dbraw/zinc/25/81/62/256258162.db2.gz FFOYQPZKVNLMFA-INIZCTEOSA-N 2 2 348.422 2.119 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000273024995 256258163 /nfs/dbraw/zinc/25/81/63/256258163.db2.gz FFOYQPZKVNLMFA-INIZCTEOSA-N 2 2 348.422 2.119 10 0 EEAELP CN(Cc1c[nH+]cn1C)[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cncn1C ZINC000274291062 256371311 /nfs/dbraw/zinc/37/13/11/256371311.db2.gz GNLSWWUNUJBAOL-ROUUACIJSA-N 2 2 330.480 2.029 10 0 EEAELP CN(Cc1c[nH+]cn1C)[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cncn1C ZINC000274291062 256371313 /nfs/dbraw/zinc/37/13/13/256371313.db2.gz GNLSWWUNUJBAOL-ROUUACIJSA-N 2 2 330.480 2.029 10 0 EEAELP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000275362942 257995517 /nfs/dbraw/zinc/99/55/17/257995517.db2.gz BGDSHTOOZNOKEZ-KBXCAEBGSA-N 2 2 325.416 2.418 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CC[C@@H]2CCOC2=O)[C@@H]1c1cnn(C)c1 ZINC000328652285 258021313 /nfs/dbraw/zinc/02/13/13/258021313.db2.gz WHRXQLPLKLVENG-SOLBZPMBSA-N 2 2 348.491 2.078 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)CC[C@@H]2CCOC2=O)[C@@H]1c1cnn(C)c1 ZINC000328652285 258021315 /nfs/dbraw/zinc/02/13/15/258021315.db2.gz WHRXQLPLKLVENG-SOLBZPMBSA-N 2 2 348.491 2.078 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)CC[C@@H]2CCOC2=O)[C@@H]1c1cnn(C)c1 ZINC000328652285 258021316 /nfs/dbraw/zinc/02/13/16/258021316.db2.gz WHRXQLPLKLVENG-SOLBZPMBSA-N 2 2 348.491 2.078 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CC[C@@H]2CCOC2=O)[C@@H]1c1cnn(C)c1 ZINC000328652285 258021318 /nfs/dbraw/zinc/02/13/18/258021318.db2.gz WHRXQLPLKLVENG-SOLBZPMBSA-N 2 2 348.491 2.078 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000124348646 292288731 /nfs/dbraw/zinc/28/87/31/292288731.db2.gz LAOVBSMVNHKTJV-UXHICEINSA-N 2 2 341.499 2.465 10 0 EEAELP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374206493 154004339 /nfs/dbraw/zinc/00/43/39/154004339.db2.gz FAUJRFMCMNPCOC-AWEZNQCLSA-N 2 2 344.434 2.476 10 0 EEAELP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374206493 154004341 /nfs/dbraw/zinc/00/43/41/154004341.db2.gz FAUJRFMCMNPCOC-AWEZNQCLSA-N 2 2 344.434 2.476 10 0 EEAELP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H](C)O1 ZINC000130376013 292372895 /nfs/dbraw/zinc/37/28/95/292372895.db2.gz XIFQDWDFXXBCSS-BZUAXINKSA-N 2 2 341.496 2.085 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601741 160184071 /nfs/dbraw/zinc/18/40/71/160184071.db2.gz IEOBXFQUHBZJRE-RGCFKVTRSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601741 160184072 /nfs/dbraw/zinc/18/40/72/160184072.db2.gz IEOBXFQUHBZJRE-RGCFKVTRSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193601741 160184073 /nfs/dbraw/zinc/18/40/73/160184073.db2.gz IEOBXFQUHBZJRE-RGCFKVTRSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193601741 160184074 /nfs/dbraw/zinc/18/40/74/160184074.db2.gz IEOBXFQUHBZJRE-RGCFKVTRSA-N 2 2 329.488 2.308 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c[nH+]1 ZINC000247335443 160320891 /nfs/dbraw/zinc/32/08/91/160320891.db2.gz NEXLWQUUSWHURM-NVXWUHKLSA-N 2 2 347.507 2.456 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c[nH+]1 ZINC000247335443 160320893 /nfs/dbraw/zinc/32/08/93/160320893.db2.gz NEXLWQUUSWHURM-NVXWUHKLSA-N 2 2 347.507 2.456 10 0 EEAELP Cc1csc2nc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc(=O)n12 ZINC000247583318 160329496 /nfs/dbraw/zinc/32/94/96/160329496.db2.gz MAVIOHRRVKIHLD-DOMZBBRYSA-N 2 2 343.456 2.344 10 0 EEAELP Cc1csc2nc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)cc(=O)n12 ZINC000247583318 160329497 /nfs/dbraw/zinc/32/94/97/160329497.db2.gz MAVIOHRRVKIHLD-DOMZBBRYSA-N 2 2 343.456 2.344 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343190967 161111622 /nfs/dbraw/zinc/11/16/22/161111622.db2.gz HAESICFTFDJCGV-MIALQEHNSA-N 3 2 331.504 2.336 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343190967 161111623 /nfs/dbraw/zinc/11/16/23/161111623.db2.gz HAESICFTFDJCGV-MIALQEHNSA-N 3 2 331.504 2.336 10 0 EEAELP C[C@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343190967 161111624 /nfs/dbraw/zinc/11/16/24/161111624.db2.gz HAESICFTFDJCGV-MIALQEHNSA-N 3 2 331.504 2.336 10 0 EEAELP C[C@H]1C[NH+](C)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000343190967 161111625 /nfs/dbraw/zinc/11/16/25/161111625.db2.gz HAESICFTFDJCGV-MIALQEHNSA-N 3 2 331.504 2.336 10 0 EEAELP CCC[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000345830784 161336080 /nfs/dbraw/zinc/33/60/80/161336080.db2.gz NPYNUBSMCKFGIN-UHFFFAOYSA-N 2 2 349.385 2.373 10 0 EEAELP CC(C)COCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000358910112 164013616 /nfs/dbraw/zinc/01/36/16/164013616.db2.gz YIBZGPLRWRAUQY-UHFFFAOYSA-N 2 2 339.524 2.116 10 0 EEAELP CCCN(CC[NH+](CC)CC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000360263478 164271940 /nfs/dbraw/zinc/27/19/40/164271940.db2.gz YFZMSMFKAFULGC-UHFFFAOYSA-N 2 2 335.496 2.411 10 0 EEAELP Fc1ccc(Cn2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)cn2)cc1 ZINC000368090918 166049482 /nfs/dbraw/zinc/04/94/82/166049482.db2.gz UMEIXLCUSAWDFQ-INIZCTEOSA-N 2 2 325.391 2.441 10 0 EEAELP Fc1ccc(Cn2cc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)cn2)cc1 ZINC000368090918 166049483 /nfs/dbraw/zinc/04/94/83/166049483.db2.gz UMEIXLCUSAWDFQ-INIZCTEOSA-N 2 2 325.391 2.441 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000291201653 275281277 /nfs/dbraw/zinc/28/12/77/275281277.db2.gz NBDRYMZIWZIFHD-INIZCTEOSA-N 2 2 347.459 2.172 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420379427 278209247 /nfs/dbraw/zinc/20/92/47/278209247.db2.gz QYSIUNGRKVUEIS-KSSFIOAISA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420379427 278209248 /nfs/dbraw/zinc/20/92/48/278209248.db2.gz QYSIUNGRKVUEIS-KSSFIOAISA-N 2 2 335.879 2.420 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]2CCC[C@H]21 ZINC000353611735 290214578 /nfs/dbraw/zinc/21/45/78/290214578.db2.gz FCDURWPQDJIASI-IVDHNXQLSA-N 3 2 335.536 2.217 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]2CCC[C@H]21 ZINC000353611735 290214579 /nfs/dbraw/zinc/21/45/79/290214579.db2.gz FCDURWPQDJIASI-IVDHNXQLSA-N 3 2 335.536 2.217 10 0 EEAELP Cc1ccc(NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(C)[nH+]1 ZINC000333115620 312094987 /nfs/dbraw/zinc/09/49/87/312094987.db2.gz HGJMTURXRMENKX-DOTOQJQBSA-N 2 2 332.448 2.449 10 0 EEAELP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333771974 312195237 /nfs/dbraw/zinc/19/52/37/312195237.db2.gz CDRFKHKPMSXETQ-MRXNPFEDSA-N 2 2 345.491 2.251 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000334076493 312237021 /nfs/dbraw/zinc/23/70/21/312237021.db2.gz YMFIANKETUEOLI-RYUDHWBXSA-N 2 2 347.385 2.117 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000354173106 312392436 /nfs/dbraw/zinc/39/24/36/312392436.db2.gz SFDNCJYJOOBLMS-RAFMOHDBSA-N 2 2 340.471 2.239 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000354173106 312392437 /nfs/dbraw/zinc/39/24/37/312392437.db2.gz SFDNCJYJOOBLMS-RAFMOHDBSA-N 2 2 340.471 2.239 10 0 EEAELP COc1ccc(OC)c(C[NH+]2CCN(C[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000414676022 313061823 /nfs/dbraw/zinc/06/18/23/313061823.db2.gz HCFGBNHFJIVGFB-KRWDZBQOSA-N 2 2 335.492 2.195 10 0 EEAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000414732130 313071667 /nfs/dbraw/zinc/07/16/67/313071667.db2.gz FZYICRMLIFIZDO-IJLUTSLNSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000414732130 313071668 /nfs/dbraw/zinc/07/16/68/313071668.db2.gz FZYICRMLIFIZDO-IJLUTSLNSA-N 2 2 325.482 2.232 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416837423 313330754 /nfs/dbraw/zinc/33/07/54/313330754.db2.gz AEDOIWQAVZTVSB-JKSUJKDBSA-N 2 2 341.459 2.128 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416837422 313330923 /nfs/dbraw/zinc/33/09/23/313330923.db2.gz AEDOIWQAVZTVSB-HZPDHXFCSA-N 2 2 341.459 2.128 10 0 EEAELP [NH3+]CCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000416999154 313388097 /nfs/dbraw/zinc/38/80/97/313388097.db2.gz QGOFXYZNUWFQTB-CQSZACIVSA-N 2 2 342.846 2.264 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418242672 313761853 /nfs/dbraw/zinc/76/18/53/313761853.db2.gz COMJUKUBWXHTJE-DOMZBBRYSA-N 2 2 347.850 2.323 10 0 EEAELP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1 ZINC000458371200 315702040 /nfs/dbraw/zinc/70/20/40/315702040.db2.gz LSGAMOAOOBLBIN-HNNXBMFYSA-N 2 2 343.475 2.391 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000528782429 317477017 /nfs/dbraw/zinc/47/70/17/317477017.db2.gz JXSWIKZKPDQIHS-MOPGFXCFSA-N 2 2 347.478 2.462 10 0 EEAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(F)c1 ZINC000542158753 318122809 /nfs/dbraw/zinc/12/28/09/318122809.db2.gz NLNFZOIRQKJWQJ-BBRMVZONSA-N 2 2 330.407 2.401 10 0 EEAELP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1(C)C ZINC000547320933 318279020 /nfs/dbraw/zinc/27/90/20/318279020.db2.gz QHPJWJWGMMJXFD-HRCADAONSA-N 2 2 348.491 2.093 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000564823204 319114376 /nfs/dbraw/zinc/11/43/76/319114376.db2.gz DIEMHOFXELWEGT-YSIASYRMSA-N 3 2 331.504 2.255 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]C1 ZINC000564823204 319114377 /nfs/dbraw/zinc/11/43/77/319114377.db2.gz DIEMHOFXELWEGT-YSIASYRMSA-N 3 2 331.504 2.255 10 0 EEAELP C[C@@H]([NH3+])C[C@@H](C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000566226980 319262159 /nfs/dbraw/zinc/26/21/59/319262159.db2.gz RZZYYCIKFLHBCD-VXGBXAGGSA-N 2 2 325.482 2.376 10 0 EEAELP COc1cc(OC)cc(N2CC[C@@H](C[NH2+]Cc3c[nH+]c(C)n3C)C2)c1 ZINC000574221002 320006500 /nfs/dbraw/zinc/00/65/00/320006500.db2.gz UDPMDSUINCKCNM-HNNXBMFYSA-N 2 2 344.459 2.362 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)s1 ZINC000574987204 320077160 /nfs/dbraw/zinc/07/71/60/320077160.db2.gz MDLFCLKYEZETKJ-KBPBESRZSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(CF)CCOCC3)c2cc1C ZINC000580829218 324136372 /nfs/dbraw/zinc/13/63/72/324136372.db2.gz DRGKFCJPHYLWAA-INIZCTEOSA-N 2 2 349.450 2.370 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000581927352 324341078 /nfs/dbraw/zinc/34/10/78/324341078.db2.gz GCRQTBIMOWIRTB-UHFFFAOYSA-N 2 2 333.480 2.499 10 0 EEAELP CC1(C)C[N@H+](CCNc2nc3ccccc3n3c[nH+]cc23)CCO1 ZINC000623924498 450637049 /nfs/dbraw/zinc/63/70/49/450637049.db2.gz DGJVJFFMVCVWSC-UHFFFAOYSA-N 2 2 325.416 2.405 10 0 EEAELP CC1(C)C[N@@H+](CCNc2nc3ccccc3n3c[nH+]cc23)CCO1 ZINC000623924498 450637052 /nfs/dbraw/zinc/63/70/52/450637052.db2.gz DGJVJFFMVCVWSC-UHFFFAOYSA-N 2 2 325.416 2.405 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627069746 451110478 /nfs/dbraw/zinc/11/04/78/451110478.db2.gz RXPONQZLDYYBFR-GJZGRUSLSA-N 2 2 348.495 2.008 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000127427024 462551606 /nfs/dbraw/zinc/55/16/06/462551606.db2.gz JMSUNLXZFWGFOO-APWZRJJASA-N 2 2 345.487 2.074 10 0 EEAELP CC(=O)Oc1ccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000125708346 463571116 /nfs/dbraw/zinc/57/11/16/463571116.db2.gz PFIQPTFQJBUHCP-HNNXBMFYSA-N 2 2 332.444 2.297 10 0 EEAELP CC(=O)Oc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1 ZINC000125708346 463571120 /nfs/dbraw/zinc/57/11/20/463571120.db2.gz PFIQPTFQJBUHCP-HNNXBMFYSA-N 2 2 332.444 2.297 10 0 EEAELP FC(F)(F)Cc1noc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000336873740 465066098 /nfs/dbraw/zinc/06/60/98/465066098.db2.gz UNGUKYAWHYACSO-UHFFFAOYSA-N 2 2 332.370 2.482 10 0 EEAELP Cc1ccc(CCC[NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c[nH+]1 ZINC000354653179 465075965 /nfs/dbraw/zinc/07/59/65/465075965.db2.gz DXQMLBKYWHLKJS-UHFFFAOYSA-N 2 2 344.434 2.483 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000339550373 465342293 /nfs/dbraw/zinc/34/22/93/465342293.db2.gz GHUWEGJHRFCJAY-PCKAHOCUSA-N 2 2 333.480 2.039 10 0 EEAELP C[C@@H](CN1CCOCC1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337456770 465380380 /nfs/dbraw/zinc/38/03/80/465380380.db2.gz XMPBDZDLMVICOH-IRXDYDNUSA-N 2 2 332.492 2.120 10 0 EEAELP C[C@@H](CN1CCOCC1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337456770 465380385 /nfs/dbraw/zinc/38/03/85/465380385.db2.gz XMPBDZDLMVICOH-IRXDYDNUSA-N 2 2 332.492 2.120 10 0 EEAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000113586854 462604703 /nfs/dbraw/zinc/60/47/03/462604703.db2.gz PBSHGXFOTWWXHL-DOTOQJQBSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000113586854 462604706 /nfs/dbraw/zinc/60/47/06/462604706.db2.gz PBSHGXFOTWWXHL-DOTOQJQBSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000047027351 462735769 /nfs/dbraw/zinc/73/57/69/462735769.db2.gz PRNPSXJMNXWWPK-HNNXBMFYSA-N 2 2 347.488 2.251 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000047027351 462735776 /nfs/dbraw/zinc/73/57/76/462735776.db2.gz PRNPSXJMNXWWPK-HNNXBMFYSA-N 2 2 347.488 2.251 10 0 EEAELP C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000117803205 462814151 /nfs/dbraw/zinc/81/41/51/462814151.db2.gz BFDRPWRMBWTPCP-DNVCBOLYSA-N 2 2 345.487 2.036 10 0 EEAELP C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000117803205 462814156 /nfs/dbraw/zinc/81/41/56/462814156.db2.gz BFDRPWRMBWTPCP-DNVCBOLYSA-N 2 2 345.487 2.036 10 0 EEAELP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000118868656 462858744 /nfs/dbraw/zinc/85/87/44/462858744.db2.gz VGPIFCXGAIZXTD-UHFFFAOYSA-N 2 2 336.505 2.234 10 0 EEAELP C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134089938 463002506 /nfs/dbraw/zinc/00/25/06/463002506.db2.gz JMTHRHJYVOBCJG-DLBZAZTESA-N 2 2 347.507 2.260 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000139991128 463335185 /nfs/dbraw/zinc/33/51/85/463335185.db2.gz GIYLGQHIDIAQFZ-ILXRZTDVSA-N 2 2 347.425 2.203 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000139991128 463335188 /nfs/dbraw/zinc/33/51/88/463335188.db2.gz GIYLGQHIDIAQFZ-ILXRZTDVSA-N 2 2 347.425 2.203 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000139991128 463335192 /nfs/dbraw/zinc/33/51/92/463335192.db2.gz GIYLGQHIDIAQFZ-ILXRZTDVSA-N 2 2 347.425 2.203 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC[C@@H]21 ZINC000139991128 463335194 /nfs/dbraw/zinc/33/51/94/463335194.db2.gz GIYLGQHIDIAQFZ-ILXRZTDVSA-N 2 2 347.425 2.203 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOCC2(C)C)CC1 ZINC000143340799 463368425 /nfs/dbraw/zinc/36/84/25/463368425.db2.gz LLFBDOWXILTJCT-QGZVFWFLSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOCC2(C)C)CC1 ZINC000143340799 463368427 /nfs/dbraw/zinc/36/84/27/463368427.db2.gz LLFBDOWXILTJCT-QGZVFWFLSA-N 2 2 345.487 2.003 10 0 EEAELP CN(C)S(=O)(=O)n1c[nH+]cc1CCCCCCCCCC[NH3+] ZINC000034646280 463428523 /nfs/dbraw/zinc/42/85/23/463428523.db2.gz KSLCGYCICVVBDI-UHFFFAOYSA-N 2 2 330.498 2.160 10 0 EEAELP CCC(CC)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124581022 463440443 /nfs/dbraw/zinc/44/04/43/463440443.db2.gz BQAWEOMFFSEPKC-JWTNVVGKSA-N 2 2 336.524 2.375 10 0 EEAELP CCC(CC)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000124581022 463440450 /nfs/dbraw/zinc/44/04/50/463440450.db2.gz BQAWEOMFFSEPKC-JWTNVVGKSA-N 2 2 336.524 2.375 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1NC(C)=O ZINC000151317954 463511719 /nfs/dbraw/zinc/51/17/19/463511719.db2.gz FKLUZRIPGBMTJY-YOEHRIQHSA-N 2 2 349.475 2.151 10 0 EEAELP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000058434018 463598720 /nfs/dbraw/zinc/59/87/20/463598720.db2.gz GFKOFLSRIWISQD-UHFFFAOYSA-N 2 2 342.422 2.409 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000073499897 463618733 /nfs/dbraw/zinc/61/87/33/463618733.db2.gz CPIXFAZXTNAXPK-UHFFFAOYSA-N 2 2 329.448 2.256 10 0 EEAELP CCCCc1noc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000152287110 463671738 /nfs/dbraw/zinc/67/17/38/463671738.db2.gz YXJYRVJBWUPTEZ-MRXNPFEDSA-N 2 2 335.496 2.014 10 0 EEAELP CCCCc1noc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000152287110 463671739 /nfs/dbraw/zinc/67/17/39/463671739.db2.gz YXJYRVJBWUPTEZ-MRXNPFEDSA-N 2 2 335.496 2.014 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)n1C ZINC000579496095 468369444 /nfs/dbraw/zinc/36/94/44/468369444.db2.gz XASAABSUZACJCD-HNNXBMFYSA-N 2 2 338.249 2.488 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCC2(C)CCC2)([NH+]2CCCCC2)CC1 ZINC000177571742 463739971 /nfs/dbraw/zinc/73/99/71/463739971.db2.gz AQAYECWTEZXPSJ-UHFFFAOYSA-N 2 2 336.524 2.426 10 0 EEAELP CC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178749278 463961150 /nfs/dbraw/zinc/96/11/50/463961150.db2.gz LATGWJRYRNSTDH-INIZCTEOSA-N 2 2 340.427 2.497 10 0 EEAELP CC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178749278 463961154 /nfs/dbraw/zinc/96/11/54/463961154.db2.gz LATGWJRYRNSTDH-INIZCTEOSA-N 2 2 340.427 2.497 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119228 465435921 /nfs/dbraw/zinc/43/59/21/465435921.db2.gz ZZQRLKDIIMTCNC-CRAIPNDOSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119228 465435930 /nfs/dbraw/zinc/43/59/30/465435930.db2.gz ZZQRLKDIIMTCNC-CRAIPNDOSA-N 2 2 329.448 2.029 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263194730 464061591 /nfs/dbraw/zinc/06/15/91/464061591.db2.gz IHOLTLVFRSAVCO-XJKSGUPXSA-N 2 2 337.414 2.325 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2cnn(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000221866739 464124969 /nfs/dbraw/zinc/12/49/69/464124969.db2.gz VIDUTJVXLQFSMJ-LSTHTHJFSA-N 2 2 342.487 2.128 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)c2cnn(C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000221866739 464124971 /nfs/dbraw/zinc/12/49/71/464124971.db2.gz VIDUTJVXLQFSMJ-LSTHTHJFSA-N 2 2 342.487 2.128 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000172753277 464139190 /nfs/dbraw/zinc/13/91/90/464139190.db2.gz MHSBMRVKRVLNCQ-ZDUSSCGKSA-N 2 2 348.318 2.247 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cncc(F)c2)nc[nH+]1 ZINC000180565228 464337880 /nfs/dbraw/zinc/33/78/80/464337880.db2.gz KNQJUQDODLBBET-WFASDCNBSA-N 2 2 330.411 2.372 10 0 EEAELP C[C@H](c1nc(C(C)(C)C)no1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180936141 464423450 /nfs/dbraw/zinc/42/34/50/464423450.db2.gz PSYLPGNIYWTATA-CQSZACIVSA-N 2 2 337.512 2.386 10 0 EEAELP C[C@H](c1nc(C(C)(C)C)no1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180936141 464423457 /nfs/dbraw/zinc/42/34/57/464423457.db2.gz PSYLPGNIYWTATA-CQSZACIVSA-N 2 2 337.512 2.386 10 0 EEAELP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3conc3C)cc2)CC1 ZINC000294242671 464442830 /nfs/dbraw/zinc/44/28/30/464442830.db2.gz UECYIJCZGYJMHG-UHFFFAOYSA-N 2 2 328.460 2.410 10 0 EEAELP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174888135 464464590 /nfs/dbraw/zinc/46/45/90/464464590.db2.gz ZFCVCTIBUZAADS-MJGOQNOKSA-N 2 2 344.503 2.116 10 0 EEAELP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174888135 464464597 /nfs/dbraw/zinc/46/45/97/464464597.db2.gz ZFCVCTIBUZAADS-MJGOQNOKSA-N 2 2 344.503 2.116 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)[nH+]c2c1 ZINC000265090975 464509209 /nfs/dbraw/zinc/50/92/09/464509209.db2.gz PTTZBYPMAZEVCF-GDBMZVCRSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)[nH+]c2c1 ZINC000265090975 464509215 /nfs/dbraw/zinc/50/92/15/464509215.db2.gz PTTZBYPMAZEVCF-GDBMZVCRSA-N 2 2 327.432 2.021 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182253255 464611759 /nfs/dbraw/zinc/61/17/59/464611759.db2.gz BPQLNZBBQSMEFM-LJQANCHMSA-N 2 2 329.488 2.361 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182253255 464611764 /nfs/dbraw/zinc/61/17/64/464611764.db2.gz BPQLNZBBQSMEFM-LJQANCHMSA-N 2 2 329.488 2.361 10 0 EEAELP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248654777 464781296 /nfs/dbraw/zinc/78/12/96/464781296.db2.gz PWESOEYTEIERJF-MJGOQNOKSA-N 2 2 346.519 2.386 10 0 EEAELP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248654777 464781303 /nfs/dbraw/zinc/78/13/03/464781303.db2.gz PWESOEYTEIERJF-MJGOQNOKSA-N 2 2 346.519 2.386 10 0 EEAELP CC(C)CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248654777 464781306 /nfs/dbraw/zinc/78/13/06/464781306.db2.gz PWESOEYTEIERJF-MJGOQNOKSA-N 2 2 346.519 2.386 10 0 EEAELP CC(C)CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248654777 464781310 /nfs/dbraw/zinc/78/13/10/464781310.db2.gz PWESOEYTEIERJF-MJGOQNOKSA-N 2 2 346.519 2.386 10 0 EEAELP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000183408007 464860923 /nfs/dbraw/zinc/86/09/23/464860923.db2.gz YMIPQQYBWKTXSM-VQTJNVASSA-N 2 2 331.504 2.306 10 0 EEAELP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000183408007 464860931 /nfs/dbraw/zinc/86/09/31/464860931.db2.gz YMIPQQYBWKTXSM-VQTJNVASSA-N 2 2 331.504 2.306 10 0 EEAELP CN(CC[NH+](C)C)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000266999653 464900184 /nfs/dbraw/zinc/90/01/84/464900184.db2.gz ZXDLTVTYGTZVMS-UHFFFAOYSA-N 2 2 325.482 2.154 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000298165497 465320450 /nfs/dbraw/zinc/32/04/50/465320450.db2.gz QFJDCVJRXPRVPT-UHFFFAOYSA-N 2 2 347.438 2.316 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000298415938 465389288 /nfs/dbraw/zinc/38/92/88/465389288.db2.gz KWOVYFHFPCBHMN-WBVHZDCISA-N 2 2 341.459 2.365 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CCCCCO ZINC000348184616 465478192 /nfs/dbraw/zinc/47/81/92/465478192.db2.gz OYFYPUYIXGUTNR-AWEZNQCLSA-N 2 2 330.432 2.498 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CCCCCO ZINC000348184616 465478198 /nfs/dbraw/zinc/47/81/98/465478198.db2.gz OYFYPUYIXGUTNR-AWEZNQCLSA-N 2 2 330.432 2.498 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000343156493 465483969 /nfs/dbraw/zinc/48/39/69/465483969.db2.gz YLACJDSTVSTIQZ-FHLIZLRMSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000343156493 465483972 /nfs/dbraw/zinc/48/39/72/465483972.db2.gz YLACJDSTVSTIQZ-FHLIZLRMSA-N 2 2 337.895 2.253 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CC[NH2+][C@@H](c3ccncc3)C2)CCCCC1 ZINC000337669668 465507710 /nfs/dbraw/zinc/50/77/10/465507710.db2.gz VIRKSLJNJJLNRP-QGZVFWFLSA-N 2 2 330.476 2.067 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000330124660 465540608 /nfs/dbraw/zinc/54/06/08/465540608.db2.gz IDHWEUDMAJJNDR-AEFFLSMTSA-N 2 2 345.491 2.377 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000360290789 465553784 /nfs/dbraw/zinc/55/37/84/465553784.db2.gz HKYBSLVYDQUINP-KSZLIROESA-N 2 2 349.519 2.105 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000360290789 465553790 /nfs/dbraw/zinc/55/37/90/465553790.db2.gz HKYBSLVYDQUINP-KSZLIROESA-N 2 2 349.519 2.105 10 0 EEAELP CCn1nc2c(cc1=O)C[N@@H+](Cc1c[nH+]c(C)n1-c1ccccc1)CC2 ZINC000371327631 465716807 /nfs/dbraw/zinc/71/68/07/465716807.db2.gz OKAXULJXRLBDEP-UHFFFAOYSA-N 2 2 349.438 2.316 10 0 EEAELP CCn1nc2c(cc1=O)C[N@H+](Cc1c[nH+]c(C)n1-c1ccccc1)CC2 ZINC000371327631 465716813 /nfs/dbraw/zinc/71/68/13/465716813.db2.gz OKAXULJXRLBDEP-UHFFFAOYSA-N 2 2 349.438 2.316 10 0 EEAELP Brc1ccc2c(NC[C@H]3C[NH+]4CCN3CC4)cc[nH+]c2c1 ZINC000301775853 466029192 /nfs/dbraw/zinc/02/91/92/466029192.db2.gz LFPJDNMVGSEGKV-ZDUSSCGKSA-N 2 2 347.260 2.409 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000357612387 466176913 /nfs/dbraw/zinc/17/69/13/466176913.db2.gz ZXNDQRNFPSKHNI-LJQANCHMSA-N 2 2 329.488 2.248 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000357612387 466176918 /nfs/dbraw/zinc/17/69/18/466176918.db2.gz ZXNDQRNFPSKHNI-LJQANCHMSA-N 2 2 329.488 2.248 10 0 EEAELP O[C@H](Cn1cc[nH+]c1-c1ccncc1)C[N@@H+]1CCc2ccccc2C1 ZINC000304263427 466270036 /nfs/dbraw/zinc/27/00/36/466270036.db2.gz AFKHTWIDSNLTNG-IBGZPJMESA-N 2 2 334.423 2.364 10 0 EEAELP O[C@H](Cn1cc[nH+]c1-c1ccncc1)C[N@H+]1CCc2ccccc2C1 ZINC000304263427 466270045 /nfs/dbraw/zinc/27/00/45/466270045.db2.gz AFKHTWIDSNLTNG-IBGZPJMESA-N 2 2 334.423 2.364 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C/c3ccnc(Cl)c3)C2)CC1 ZINC000372343239 466316916 /nfs/dbraw/zinc/31/69/16/466316916.db2.gz BTISUALGNGGNFB-FAAWYNLUSA-N 2 2 348.878 2.033 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C/c3ccnc(Cl)c3)C2)CC1 ZINC000372343239 466316921 /nfs/dbraw/zinc/31/69/21/466316921.db2.gz BTISUALGNGGNFB-FAAWYNLUSA-N 2 2 348.878 2.033 10 0 EEAELP CCCc1[nH+]c2ccccc2n1CCC(=O)NCCn1cc[nH+]c1 ZINC000354270494 466433354 /nfs/dbraw/zinc/43/33/54/466433354.db2.gz GQVOCXUHSGSORH-UHFFFAOYSA-N 2 2 325.416 2.392 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000313277338 466540082 /nfs/dbraw/zinc/54/00/82/466540082.db2.gz DMDWDCUZJZFMKE-LBPRGKRZSA-N 2 2 344.242 2.299 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3[C@@H](CCC[N@H+]3C)C1)CCC2 ZINC000332703912 466554436 /nfs/dbraw/zinc/55/44/36/466554436.db2.gz FTSXHKRIRGJPTR-ULQDDVLXSA-N 2 2 345.491 2.195 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3[C@@H](CCC[N@@H+]3C)C1)CCC2 ZINC000332703912 466554445 /nfs/dbraw/zinc/55/44/45/466554445.db2.gz FTSXHKRIRGJPTR-ULQDDVLXSA-N 2 2 345.491 2.195 10 0 EEAELP C[N@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569487203 468499719 /nfs/dbraw/zinc/49/97/19/468499719.db2.gz IODKKVHVQMMUBK-ARFKYBLISA-N 2 2 331.504 2.142 10 0 EEAELP C[N@@H+](CC(=O)NC1C2CC3CC(C2)CC1C3)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569487203 468499721 /nfs/dbraw/zinc/49/97/21/468499721.db2.gz IODKKVHVQMMUBK-ARFKYBLISA-N 2 2 331.504 2.142 10 0 EEAELP Brc1ccccc1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422829992 466684159 /nfs/dbraw/zinc/68/41/59/466684159.db2.gz QJIOIRGDWSMTOC-HOTGVXAUSA-N 2 2 339.277 2.348 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC000374649092 466704888 /nfs/dbraw/zinc/70/48/88/466704888.db2.gz RYTGCJZRROZMRB-KRWDZBQOSA-N 2 2 347.507 2.473 10 0 EEAELP CC1=CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000369707617 466746203 /nfs/dbraw/zinc/74/62/03/466746203.db2.gz VAWJTKFKZWYAHL-UHFFFAOYSA-N 2 2 334.508 2.298 10 0 EEAELP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417065378 466769437 /nfs/dbraw/zinc/76/94/37/466769437.db2.gz GNZMSRIGLRYPOG-SFHVURJKSA-N 2 2 343.475 2.446 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000376281776 466903362 /nfs/dbraw/zinc/90/33/62/466903362.db2.gz NMPFJKWOHKCPNX-HOTGVXAUSA-N 2 2 345.491 2.370 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000376281776 466903364 /nfs/dbraw/zinc/90/33/64/466903364.db2.gz NMPFJKWOHKCPNX-HOTGVXAUSA-N 2 2 345.491 2.370 10 0 EEAELP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000432121883 467217156 /nfs/dbraw/zinc/21/71/56/467217156.db2.gz YYIPLFQTTCTDKP-SNRMKQJTSA-N 2 2 329.488 2.178 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000378492121 467320562 /nfs/dbraw/zinc/32/05/62/467320562.db2.gz GGQJABYCGVRILU-AZUAARDMSA-N 2 2 345.487 2.180 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000378492121 467320564 /nfs/dbraw/zinc/32/05/64/467320564.db2.gz GGQJABYCGVRILU-AZUAARDMSA-N 2 2 345.487 2.180 10 0 EEAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCc1ccc(Cl)cc1 ZINC000420354171 467375470 /nfs/dbraw/zinc/37/54/70/467375470.db2.gz BOWREPGFCOURBM-GOSISDBHSA-N 2 2 335.879 2.074 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NCCc1ccc(Cl)cc1 ZINC000420354171 467375474 /nfs/dbraw/zinc/37/54/74/467375474.db2.gz BOWREPGFCOURBM-GOSISDBHSA-N 2 2 335.879 2.074 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000420362104 467378621 /nfs/dbraw/zinc/37/86/21/467378621.db2.gz YXRMKJYJQIHZLG-CABZTGNLSA-N 2 2 344.228 2.338 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000420362104 467378625 /nfs/dbraw/zinc/37/86/25/467378625.db2.gz YXRMKJYJQIHZLG-CABZTGNLSA-N 2 2 344.228 2.338 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000420366663 467379332 /nfs/dbraw/zinc/37/93/32/467379332.db2.gz JLXRLJWWGFXTBC-KUHUBIRLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000420366663 467379335 /nfs/dbraw/zinc/37/93/35/467379335.db2.gz JLXRLJWWGFXTBC-KUHUBIRLSA-N 2 2 347.459 2.106 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N(Cc1ccccc1)C1CC1 ZINC000420367383 467380706 /nfs/dbraw/zinc/38/07/06/467380706.db2.gz KAWXIDZQISNXLQ-FQEVSTJZSA-N 2 2 327.472 2.253 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N(Cc1ccccc1)C1CC1 ZINC000420367383 467380709 /nfs/dbraw/zinc/38/07/09/467380709.db2.gz KAWXIDZQISNXLQ-FQEVSTJZSA-N 2 2 327.472 2.253 10 0 EEAELP CC1=C[C@H](C)CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000430574633 467443613 /nfs/dbraw/zinc/44/36/13/467443613.db2.gz JAOZQQRBSGZFOT-HNNXBMFYSA-N 2 2 334.508 2.153 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@@]1(C)C[NH3+] ZINC000415053804 467477512 /nfs/dbraw/zinc/47/75/12/467477512.db2.gz KQYLRRGMRBTMPY-BDJLRTHQSA-N 2 2 337.830 2.477 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C[C@@]1(C)C[NH3+] ZINC000415053804 467477516 /nfs/dbraw/zinc/47/75/16/467477516.db2.gz KQYLRRGMRBTMPY-BDJLRTHQSA-N 2 2 337.830 2.477 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(n1)CCCC2 ZINC000442348553 467574200 /nfs/dbraw/zinc/57/42/00/467574200.db2.gz KYWJNQYIFCVLAW-UHFFFAOYSA-N 2 2 344.503 2.058 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2c(n1)CCCC2 ZINC000442348553 467574202 /nfs/dbraw/zinc/57/42/02/467574202.db2.gz KYWJNQYIFCVLAW-UHFFFAOYSA-N 2 2 344.503 2.058 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1C ZINC000449392322 467637113 /nfs/dbraw/zinc/63/71/13/467637113.db2.gz JRZWDLCVIXLKGN-WMZOPIPTSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1C ZINC000449392322 467637116 /nfs/dbraw/zinc/63/71/16/467637116.db2.gz JRZWDLCVIXLKGN-WMZOPIPTSA-N 2 2 347.503 2.457 10 0 EEAELP CC[NH+](CC)Cc1cccc(CNC(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000457667619 467673526 /nfs/dbraw/zinc/67/35/26/467673526.db2.gz MOQDPJWZKIWFHP-UHFFFAOYSA-N 2 2 343.475 2.304 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000528649955 467721300 /nfs/dbraw/zinc/72/13/00/467721300.db2.gz OTULIGWAASIEEJ-MAUKXSAKSA-N 2 2 330.476 2.065 10 0 EEAELP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528729371 467740403 /nfs/dbraw/zinc/74/04/03/467740403.db2.gz OYUYFLJQWUTMKJ-IBGZPJMESA-N 2 2 332.488 2.431 10 0 EEAELP [NH3+]CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000515350520 467986751 /nfs/dbraw/zinc/98/67/51/467986751.db2.gz QAIPYWXPFVBAEC-CYBMUJFWSA-N 2 2 325.403 2.174 10 0 EEAELP [NH3+]CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000515350520 467986753 /nfs/dbraw/zinc/98/67/53/467986753.db2.gz QAIPYWXPFVBAEC-CYBMUJFWSA-N 2 2 325.403 2.174 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567653780 468176593 /nfs/dbraw/zinc/17/65/93/468176593.db2.gz VRMYRGBEKKNBMJ-ZBFHGGJFSA-N 2 2 339.842 2.470 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567653780 468176599 /nfs/dbraw/zinc/17/65/99/468176599.db2.gz VRMYRGBEKKNBMJ-ZBFHGGJFSA-N 2 2 339.842 2.470 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519776817 468209180 /nfs/dbraw/zinc/20/91/80/468209180.db2.gz PPXSDNCGSCZXTJ-YLJYHZDGSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519776817 468209184 /nfs/dbraw/zinc/20/91/84/468209184.db2.gz PPXSDNCGSCZXTJ-YLJYHZDGSA-N 2 2 329.488 2.118 10 0 EEAELP O=C(CCc1[nH]cc[nH+]1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000519857002 468222684 /nfs/dbraw/zinc/22/26/84/468222684.db2.gz LXZMHOUPXXFSJX-UHFFFAOYSA-N 2 2 344.381 2.264 10 0 EEAELP C[NH+]1CCC(Nc2ccccc2NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000570822820 468699537 /nfs/dbraw/zinc/69/95/37/468699537.db2.gz CFBCGYUFECKWME-UHFFFAOYSA-N 2 2 330.476 2.473 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)ccc2n1C ZINC000584289777 468837992 /nfs/dbraw/zinc/83/79/92/468837992.db2.gz IJAYQCVQIHNESW-ACWOFJMJSA-N 2 2 342.443 2.353 10 0 EEAELP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1c[nH+]ccc1N ZINC000584523855 468891761 /nfs/dbraw/zinc/89/17/61/468891761.db2.gz BXGYGONFRYMBQV-INIZCTEOSA-N 3 2 331.508 2.095 10 0 EEAELP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573786446 469205989 /nfs/dbraw/zinc/20/59/89/469205989.db2.gz JPDFIBHRKOYXDJ-HUUCEWRRSA-N 2 2 342.846 2.215 10 0 EEAELP CN(CCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573786446 469205997 /nfs/dbraw/zinc/20/59/97/469205997.db2.gz JPDFIBHRKOYXDJ-HUUCEWRRSA-N 2 2 342.846 2.215 10 0 EEAELP COC(=O)[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)O1 ZINC000599604959 469306682 /nfs/dbraw/zinc/30/66/82/469306682.db2.gz QRTUDNDISPUQMT-APWZRJJASA-N 2 2 346.471 2.435 10 0 EEAELP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)O1 ZINC000599604959 469306685 /nfs/dbraw/zinc/30/66/85/469306685.db2.gz QRTUDNDISPUQMT-APWZRJJASA-N 2 2 346.471 2.435 10 0 EEAELP CC(C)(C)OC(=O)CCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599623066 469313492 /nfs/dbraw/zinc/31/34/92/469313492.db2.gz PQSRDAOFWGNXDX-UHFFFAOYSA-N 2 2 326.481 2.295 10 0 EEAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000611841752 469332952 /nfs/dbraw/zinc/33/29/52/469332952.db2.gz HQXUPOGTKMGSKK-AWEZNQCLSA-N 2 2 330.476 2.428 10 0 EEAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000611841752 469332954 /nfs/dbraw/zinc/33/29/54/469332954.db2.gz HQXUPOGTKMGSKK-AWEZNQCLSA-N 2 2 330.476 2.428 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000616207857 469397923 /nfs/dbraw/zinc/39/79/23/469397923.db2.gz NWEUIXRYTKFFDR-SFHVURJKSA-N 2 2 340.471 2.034 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000616207857 469397930 /nfs/dbraw/zinc/39/79/30/469397930.db2.gz NWEUIXRYTKFFDR-SFHVURJKSA-N 2 2 340.471 2.034 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000626088549 469499771 /nfs/dbraw/zinc/49/97/71/469499771.db2.gz CYHDJDRQLHJBGG-IBGZPJMESA-N 2 2 332.488 2.167 10 0 EEAELP O=C(C[N@@H+]1CCCC2(CC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000626114333 469505907 /nfs/dbraw/zinc/50/59/07/469505907.db2.gz CEOOCEOJMAGYTK-UHFFFAOYSA-N 2 2 331.460 2.190 10 0 EEAELP O=C(C[N@H+]1CCCC2(CC2)CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000626114333 469505911 /nfs/dbraw/zinc/50/59/11/469505911.db2.gz CEOOCEOJMAGYTK-UHFFFAOYSA-N 2 2 331.460 2.190 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cccc1 ZINC000604868137 469523619 /nfs/dbraw/zinc/52/36/19/469523619.db2.gz IQIPTHMNJHSNCW-SJLPKXTDSA-N 2 2 332.492 2.066 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cccc1 ZINC000604868137 469523622 /nfs/dbraw/zinc/52/36/22/469523622.db2.gz IQIPTHMNJHSNCW-SJLPKXTDSA-N 2 2 332.492 2.066 10 0 EEAELP CCC(CC)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000617013226 469571997 /nfs/dbraw/zinc/57/19/97/469571997.db2.gz PEDKRKIBSRJTLY-IAGOWNOFSA-N 2 2 339.524 2.112 10 0 EEAELP CCC(CC)[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000617013226 469572000 /nfs/dbraw/zinc/57/20/00/469572000.db2.gz PEDKRKIBSRJTLY-IAGOWNOFSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592914 469588350 /nfs/dbraw/zinc/58/83/50/469588350.db2.gz HEVTWPGMOKABDW-DOPJRALCSA-N 2 2 335.879 2.276 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592914 469588355 /nfs/dbraw/zinc/58/83/55/469588355.db2.gz HEVTWPGMOKABDW-DOPJRALCSA-N 2 2 335.879 2.276 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629603332 469590949 /nfs/dbraw/zinc/59/09/49/469590949.db2.gz MMOUGNZTOLRYDJ-RTBURBONSA-N 2 2 348.487 2.179 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629603332 469590952 /nfs/dbraw/zinc/59/09/52/469590952.db2.gz MMOUGNZTOLRYDJ-RTBURBONSA-N 2 2 348.487 2.179 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)CC2 ZINC000623521522 469682961 /nfs/dbraw/zinc/68/29/61/469682961.db2.gz XBFOKJRMDCIUBP-HNNXBMFYSA-N 2 2 326.444 2.132 10 0 EEAELP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978348 469690017 /nfs/dbraw/zinc/69/00/17/469690017.db2.gz RPSKZGNWKLHLNE-SJLPKXTDSA-N 2 2 337.414 2.311 10 0 EEAELP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978348 469690023 /nfs/dbraw/zinc/69/00/23/469690023.db2.gz RPSKZGNWKLHLNE-SJLPKXTDSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978348 469690029 /nfs/dbraw/zinc/69/00/29/469690029.db2.gz RPSKZGNWKLHLNE-SJLPKXTDSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978348 469690032 /nfs/dbraw/zinc/69/00/32/469690032.db2.gz RPSKZGNWKLHLNE-SJLPKXTDSA-N 2 2 337.414 2.311 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000620192247 469785437 /nfs/dbraw/zinc/78/54/37/469785437.db2.gz IZNHOUPNEDMNSP-SFHVURJKSA-N 2 2 338.455 2.302 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000620192247 469785441 /nfs/dbraw/zinc/78/54/41/469785441.db2.gz IZNHOUPNEDMNSP-SFHVURJKSA-N 2 2 338.455 2.302 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@H]1CCc2ccccc2C1 ZINC000617766769 469797884 /nfs/dbraw/zinc/79/78/84/469797884.db2.gz UNXQJPUQSRDPFV-KRWDZBQOSA-N 2 2 331.504 2.181 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@H]1CCc2ccccc2C1 ZINC000617766769 469797889 /nfs/dbraw/zinc/79/78/89/469797889.db2.gz UNXQJPUQSRDPFV-KRWDZBQOSA-N 2 2 331.504 2.181 10 0 EEAELP C[NH+]1CCC(CC(=O)N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000628775128 470154553 /nfs/dbraw/zinc/15/45/53/470154553.db2.gz ZFHCMTWZAOTUPW-KRWDZBQOSA-N 2 2 330.407 2.486 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@H](C)c3[nH+]ccn3C)C2)cc1 ZINC000633359242 470437785 /nfs/dbraw/zinc/43/77/85/470437785.db2.gz YTNDJSATETZVAS-WBVHZDCISA-N 2 2 341.459 2.363 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](C)c3[nH+]ccn3C)C2)cc1 ZINC000633359242 470437789 /nfs/dbraw/zinc/43/77/89/470437789.db2.gz YTNDJSATETZVAS-WBVHZDCISA-N 2 2 341.459 2.363 10 0 EEAELP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000635560576 470652504 /nfs/dbraw/zinc/65/25/04/470652504.db2.gz CENHGZVIAYTKKA-HZPDHXFCSA-N 2 2 328.416 2.482 10 0 EEAELP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000635560576 470652510 /nfs/dbraw/zinc/65/25/10/470652510.db2.gz CENHGZVIAYTKKA-HZPDHXFCSA-N 2 2 328.416 2.482 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cncc(Br)c1C ZINC000657345988 471106637 /nfs/dbraw/zinc/10/66/37/471106637.db2.gz UIMIIQHUZYAVLA-CQSZACIVSA-N 2 2 342.281 2.353 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cncc(Br)c1C ZINC000657345988 471106643 /nfs/dbraw/zinc/10/66/43/471106643.db2.gz UIMIIQHUZYAVLA-CQSZACIVSA-N 2 2 342.281 2.353 10 0 EEAELP Cc1[nH]c(CN[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000657367617 471114190 /nfs/dbraw/zinc/11/41/90/471114190.db2.gz REFVLKVPMXFNKE-LJQANCHMSA-N 2 2 328.460 2.143 10 0 EEAELP Cc1[nH]c(CN[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)[nH+]c1C ZINC000657367617 471114197 /nfs/dbraw/zinc/11/41/97/471114197.db2.gz REFVLKVPMXFNKE-LJQANCHMSA-N 2 2 328.460 2.143 10 0 EEAELP c1c(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)nnn1C1CCC1 ZINC000657391637 471123460 /nfs/dbraw/zinc/12/34/60/471123460.db2.gz VROOXLLNDXAYMP-UHFFFAOYSA-N 2 2 347.507 2.375 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cn21 ZINC000648211528 471126200 /nfs/dbraw/zinc/12/62/00/471126200.db2.gz UQAMGVKYKWBSNC-XIRDDKMYSA-N 2 2 326.444 2.222 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000655408103 471314830 /nfs/dbraw/zinc/31/48/30/471314830.db2.gz OTXHSBSIEJOCCO-HYVNUMGLSA-N 2 2 326.444 2.388 10 0 EEAELP Cc1nc(NC[C@H](O)C[NH+]2CCCCC2)c(Br)c(C)[nH+]1 ZINC000663388726 471353943 /nfs/dbraw/zinc/35/39/43/471353943.db2.gz HTQDAXPHONLWOO-LBPRGKRZSA-N 2 2 343.269 2.115 10 0 EEAELP CC[C@@H](CO)[NH+]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000663670494 471467746 /nfs/dbraw/zinc/46/77/46/471467746.db2.gz JKEBFBZATLZHLX-HNNXBMFYSA-N 2 2 345.443 2.145 10 0 EEAELP C[C@@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000653123181 471500351 /nfs/dbraw/zinc/50/03/51/471500351.db2.gz QOPBDDLYYFRQGN-RDTXWAMCSA-N 2 2 326.444 2.205 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000666711636 471505496 /nfs/dbraw/zinc/50/54/96/471505496.db2.gz AUCKHYFCLSAOCJ-CYBMUJFWSA-N 2 2 328.416 2.094 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000666711636 471505501 /nfs/dbraw/zinc/50/55/01/471505501.db2.gz AUCKHYFCLSAOCJ-CYBMUJFWSA-N 2 2 328.416 2.094 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)cc1 ZINC000659353800 471590480 /nfs/dbraw/zinc/59/04/80/471590480.db2.gz MOGRPDWWHFUWHE-JLSDUUJJSA-N 2 2 342.443 2.105 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000659432622 471624474 /nfs/dbraw/zinc/62/44/74/471624474.db2.gz GASIWUGXZMQEMY-MRXNPFEDSA-N 2 2 333.480 2.245 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670077929 471670093 /nfs/dbraw/zinc/67/00/93/471670093.db2.gz JYOFYFGQZXBMHW-HUUCEWRRSA-N 2 2 347.507 2.448 10 0 EEAELP C[C@H](NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667254787 471711431 /nfs/dbraw/zinc/71/14/31/471711431.db2.gz ZWQQRZBPCAZZJA-RDJZCZTQSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667254787 471711437 /nfs/dbraw/zinc/71/14/37/471711437.db2.gz ZWQQRZBPCAZZJA-RDJZCZTQSA-N 2 2 341.459 2.397 10 0 EEAELP CCCC(=O)NC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667532838 471812303 /nfs/dbraw/zinc/81/23/03/471812303.db2.gz ZWJXHDFYRYOTIA-UHFFFAOYSA-N 2 2 327.432 2.148 10 0 EEAELP CSc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000660120173 471870246 /nfs/dbraw/zinc/87/02/46/471870246.db2.gz DWDDQEFXEJSXBD-QGZVFWFLSA-N 2 2 333.501 2.323 10 0 EEAELP CSc1cccc(C[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000660120173 471870252 /nfs/dbraw/zinc/87/02/52/471870252.db2.gz DWDDQEFXEJSXBD-QGZVFWFLSA-N 2 2 333.501 2.323 10 0 EEAELP Cc1cccn2c(NC(=O)NCCC[N@@H+]3CCCO[C@@H](C)C3)c[nH+]c12 ZINC000667956030 471962274 /nfs/dbraw/zinc/96/22/74/471962274.db2.gz SCRAWYKPUZQAQG-HNNXBMFYSA-N 2 2 345.447 2.265 10 0 EEAELP Cc1cccn2c(NC(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)c[nH+]c12 ZINC000667956030 471962280 /nfs/dbraw/zinc/96/22/80/471962280.db2.gz SCRAWYKPUZQAQG-HNNXBMFYSA-N 2 2 345.447 2.265 10 0 EEAELP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662097772 471984587 /nfs/dbraw/zinc/98/45/87/471984587.db2.gz SGCRSNYOAFOPJF-GDBMZVCRSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662097772 471984589 /nfs/dbraw/zinc/98/45/89/471984589.db2.gz SGCRSNYOAFOPJF-GDBMZVCRSA-N 2 2 327.432 2.055 10 0 EEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000668062548 471992476 /nfs/dbraw/zinc/99/24/76/471992476.db2.gz MJQMLDOCTXAETO-ZCNNSNEGSA-N 2 2 330.472 2.435 10 0 EEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000668062548 471992480 /nfs/dbraw/zinc/99/24/80/471992480.db2.gz MJQMLDOCTXAETO-ZCNNSNEGSA-N 2 2 330.472 2.435 10 0 EEAELP O[C@@H]([C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668068749 471996305 /nfs/dbraw/zinc/99/63/05/471996305.db2.gz VZEOQJBTKIZJRL-WFASDCNBSA-N 2 2 340.349 2.403 10 0 EEAELP O[C@@H]([C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668068749 471996310 /nfs/dbraw/zinc/99/63/10/471996310.db2.gz VZEOQJBTKIZJRL-WFASDCNBSA-N 2 2 340.349 2.403 10 0 EEAELP C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)O2 ZINC000668087382 472004597 /nfs/dbraw/zinc/00/45/97/472004597.db2.gz GBYLAQQGOHHGFL-RVKKMQEKSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)O2 ZINC000668087382 472004601 /nfs/dbraw/zinc/00/46/01/472004601.db2.gz GBYLAQQGOHHGFL-RVKKMQEKSA-N 2 2 328.416 2.036 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319207 472068574 /nfs/dbraw/zinc/06/85/74/472068574.db2.gz KRBGLRBMVHTXRJ-HKUYNNGSSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319207 472068581 /nfs/dbraw/zinc/06/85/81/472068581.db2.gz KRBGLRBMVHTXRJ-HKUYNNGSSA-N 2 2 347.503 2.042 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665507215 472071315 /nfs/dbraw/zinc/07/13/15/472071315.db2.gz QPYZWXJTNUYIEJ-KRWDZBQOSA-N 2 2 338.455 2.427 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665507215 472071319 /nfs/dbraw/zinc/07/13/19/472071319.db2.gz QPYZWXJTNUYIEJ-KRWDZBQOSA-N 2 2 338.455 2.427 10 0 EEAELP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCCCn3cc[nH+]c3)cc21 ZINC000662400052 472098181 /nfs/dbraw/zinc/09/81/81/472098181.db2.gz HGGYVYWSAAYLJZ-KRWDZBQOSA-N 2 2 326.444 2.472 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662825223 472267441 /nfs/dbraw/zinc/26/74/41/472267441.db2.gz GDLPPNPRZGHZGU-MNEFBYGVSA-N 2 2 346.519 2.447 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662825223 472267447 /nfs/dbraw/zinc/26/74/47/472267447.db2.gz GDLPPNPRZGHZGU-MNEFBYGVSA-N 2 2 346.519 2.447 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](c1ccsc1)[NH+](C)C)CC2 ZINC000679889113 485837062 /nfs/dbraw/zinc/83/70/62/485837062.db2.gz GRBUCSQAEOLBPY-CQSZACIVSA-N 2 2 333.461 2.081 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCOC[C@@H]2C)CC1 ZINC000676715331 486291206 /nfs/dbraw/zinc/29/12/06/486291206.db2.gz UUXSZTOPQNSIEA-ROUUACIJSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCOC[C@@H]2C)CC1 ZINC000676715331 486291212 /nfs/dbraw/zinc/29/12/12/486291212.db2.gz UUXSZTOPQNSIEA-ROUUACIJSA-N 2 2 345.487 2.003 10 0 EEAELP CC[N@H+](CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000676844406 486322480 /nfs/dbraw/zinc/32/24/80/486322480.db2.gz OSHUUOMCHNNPEM-QGZVFWFLSA-N 2 2 326.444 2.304 10 0 EEAELP CC[N@@H+](CC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)C1CC1 ZINC000676844406 486322484 /nfs/dbraw/zinc/32/24/84/486322484.db2.gz OSHUUOMCHNNPEM-QGZVFWFLSA-N 2 2 326.444 2.304 10 0 EEAELP COc1ccccc1/C=C\C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678258679 486605093 /nfs/dbraw/zinc/60/50/93/486605093.db2.gz IYUWVRLZDACNLH-NVAPOSRTSA-N 2 2 329.488 2.420 10 0 EEAELP COc1ccccc1/C=C\C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258679 486605094 /nfs/dbraw/zinc/60/50/94/486605094.db2.gz IYUWVRLZDACNLH-NVAPOSRTSA-N 2 2 329.488 2.420 10 0 EEAELP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000153179260 529177701 /nfs/dbraw/zinc/17/77/01/529177701.db2.gz SZVOOQZELRLABT-DOTOQJQBSA-N 2 2 334.460 2.467 10 0 EEAELP CCNC(=O)C(C)(C)C[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422964591 535788051 /nfs/dbraw/zinc/78/80/51/535788051.db2.gz IXQOEHHHGWPEEZ-IAGOWNOFSA-N 2 2 333.476 2.240 10 0 EEAELP COc1ccc([C@H]([NH2+]CC2CCN(C(C)=O)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422732635 536929534 /nfs/dbraw/zinc/92/95/34/536929534.db2.gz AEFOCNCJJZNZPF-PMACEKPBSA-N 2 2 345.487 2.336 10 0 EEAELP CN(C(=O)C1=COCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755212308 577821811 /nfs/dbraw/zinc/82/18/11/577821811.db2.gz RJOAREIWOSLTBW-RBUKOAKNSA-N 2 2 349.519 2.476 10 0 EEAELP CN(C(=O)C1=COCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755212308 577821812 /nfs/dbraw/zinc/82/18/12/577821812.db2.gz RJOAREIWOSLTBW-RBUKOAKNSA-N 2 2 349.519 2.476 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000756099679 577838395 /nfs/dbraw/zinc/83/83/95/577838395.db2.gz QWCIIAMESRNBFF-UHFFFAOYSA-N 2 2 341.440 2.320 10 0 EEAELP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@H]1CCCOC1 ZINC000895662302 684676164 /nfs/dbraw/zinc/67/61/64/684676164.db2.gz DIHPRLVKGOSNTF-DOTOQJQBSA-N 2 2 326.481 2.199 10 0 EEAELP CCCCOCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001485571687 1191840699 /nfs/dbraw/zinc/84/06/99/1191840699.db2.gz MJPFRAKXVQCZCF-INMHGKMJSA-N 2 2 348.491 2.157 10 0 EEAELP CCCCOCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001485571687 1191840701 /nfs/dbraw/zinc/84/07/01/1191840701.db2.gz MJPFRAKXVQCZCF-INMHGKMJSA-N 2 2 348.491 2.157 10 0 EEAELP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001485642816 1191876701 /nfs/dbraw/zinc/87/67/01/1191876701.db2.gz FTAGTPFFPLWUEL-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP CCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001485672284 1191890640 /nfs/dbraw/zinc/89/06/40/1191890640.db2.gz FNJRTZKUHMZBSM-IAGOWNOFSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CCC[NH2+]CC[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485727563 1191919448 /nfs/dbraw/zinc/91/94/48/1191919448.db2.gz MNZANRKDBMAULH-GJZGRUSLSA-N 2 2 344.459 2.478 10 0 EEAELP C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(Cl)nc1)n1cc[nH+]c1 ZINC001690981097 1176418435 /nfs/dbraw/zinc/41/84/35/1176418435.db2.gz ZFZWIIKNIDGZII-ZDUSSCGKSA-N 2 2 335.839 2.131 10 0 EEAELP C[C@@H](CC(=O)NCC[N@@H+](C)Cc1ccc(Cl)nc1)n1cc[nH+]c1 ZINC001690981097 1176418442 /nfs/dbraw/zinc/41/84/42/1176418442.db2.gz ZFZWIIKNIDGZII-ZDUSSCGKSA-N 2 2 335.839 2.131 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001480879316 1176675092 /nfs/dbraw/zinc/67/50/92/1176675092.db2.gz JJNRUAGVAXLNOS-GOSISDBHSA-N 2 2 339.439 2.368 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001480879316 1176675100 /nfs/dbraw/zinc/67/51/00/1176675100.db2.gz JJNRUAGVAXLNOS-GOSISDBHSA-N 2 2 339.439 2.368 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001266812135 1177471600 /nfs/dbraw/zinc/47/16/00/1177471600.db2.gz ZACSBOPKZSOPHD-OAHLLOKOSA-N 2 2 344.434 2.162 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)CC[C@H]1CCCC1(F)F ZINC001480894072 1177638535 /nfs/dbraw/zinc/63/85/35/1177638535.db2.gz LDLLTVBPKVQGFA-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC001480894072 1177638537 /nfs/dbraw/zinc/63/85/37/1177638537.db2.gz LDLLTVBPKVQGFA-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935012 1178845642 /nfs/dbraw/zinc/84/56/42/1178845642.db2.gz JOHBTEKIZLUGCM-CYBMUJFWSA-N 2 2 341.858 2.369 10 0 EEAELP C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935012 1178845651 /nfs/dbraw/zinc/84/56/51/1178845651.db2.gz JOHBTEKIZLUGCM-CYBMUJFWSA-N 2 2 341.858 2.369 10 0 EEAELP C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935012 1178845661 /nfs/dbraw/zinc/84/56/61/1178845661.db2.gz JOHBTEKIZLUGCM-CYBMUJFWSA-N 2 2 341.858 2.369 10 0 EEAELP C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935012 1178845670 /nfs/dbraw/zinc/84/56/70/1178845670.db2.gz JOHBTEKIZLUGCM-CYBMUJFWSA-N 2 2 341.858 2.369 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]Cc3ccc(F)cn3)ccn12 ZINC001267372607 1178878170 /nfs/dbraw/zinc/87/81/70/1178878170.db2.gz ABDSXHBCTZQYOE-UHFFFAOYSA-N 2 2 341.390 2.039 10 0 EEAELP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)CCn1cc[nH+]c1 ZINC001267411326 1178973135 /nfs/dbraw/zinc/97/31/35/1178973135.db2.gz VSRMHZKGYXBBMI-UHFFFAOYSA-N 2 2 334.851 2.217 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC001481126244 1179833280 /nfs/dbraw/zinc/83/32/80/1179833280.db2.gz NJUPZVQGUUGUCA-LPHOPBHVSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC001481126244 1179833293 /nfs/dbraw/zinc/83/32/93/1179833293.db2.gz NJUPZVQGUUGUCA-LPHOPBHVSA-N 2 2 338.455 2.399 10 0 EEAELP Cc1ncc(C[N@H+](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C2CC2)o1 ZINC001481170366 1179979868 /nfs/dbraw/zinc/97/98/68/1179979868.db2.gz NPEILNPTMHXIRO-UHFFFAOYSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncc(C[N@@H+](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C2CC2)o1 ZINC001481170366 1179979875 /nfs/dbraw/zinc/97/98/75/1179979875.db2.gz NPEILNPTMHXIRO-UHFFFAOYSA-N 2 2 348.491 2.328 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCCc2ccccc2)C1 ZINC001267654564 1180108497 /nfs/dbraw/zinc/10/84/97/1180108497.db2.gz CIYCLLGVLATKEW-IBGZPJMESA-N 2 2 329.488 2.294 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NC1C[NH+](CCCCc2ccccc2)C1 ZINC001267654564 1180108499 /nfs/dbraw/zinc/10/84/99/1180108499.db2.gz CIYCLLGVLATKEW-IBGZPJMESA-N 2 2 329.488 2.294 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001267830295 1180599216 /nfs/dbraw/zinc/59/92/16/1180599216.db2.gz BWLRHXPQKGNKPJ-INIZCTEOSA-N 2 2 325.416 2.049 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC001267917302 1180762126 /nfs/dbraw/zinc/76/21/26/1180762126.db2.gz BBPOJJXNXITSDN-UHFFFAOYSA-N 2 2 347.488 2.136 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@H]1CC[NH2+]CC1CC1 ZINC001268153003 1181843633 /nfs/dbraw/zinc/84/36/33/1181843633.db2.gz FZMIRROLRWTKKS-SJORKVTESA-N 2 2 330.476 2.216 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCF)C1 ZINC001268169858 1181934918 /nfs/dbraw/zinc/93/49/18/1181934918.db2.gz DOEPXANARJOYSS-CABCVRRESA-N 2 2 337.439 2.209 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001481747643 1182518964 /nfs/dbraw/zinc/51/89/64/1182518964.db2.gz RIJDKEHSRABHMO-GJZGRUSLSA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001481747643 1182518967 /nfs/dbraw/zinc/51/89/67/1182518967.db2.gz RIJDKEHSRABHMO-GJZGRUSLSA-N 2 2 338.883 2.108 10 0 EEAELP CCN(CC[NH2+]Cc1nccs1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268461510 1182758300 /nfs/dbraw/zinc/75/83/00/1182758300.db2.gz LOKPYZLYKCCCLP-UHFFFAOYSA-N 2 2 329.429 2.271 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(F)cc1F ZINC001481885898 1182887465 /nfs/dbraw/zinc/88/74/65/1182887465.db2.gz XHMQLKQZIWNCKI-TZMCWYRMSA-N 2 2 336.386 2.407 10 0 EEAELP C[C@@](C[NH2+]C[C@H]1CC(C)(C)CO1)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001481930189 1182976597 /nfs/dbraw/zinc/97/65/97/1182976597.db2.gz KCVQNANZXNBEEQ-APWZRJJASA-N 2 2 348.491 2.032 10 0 EEAELP C[C@@](C[NH2+]C[C@H]1CC(C)(C)CO1)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001481930189 1182976605 /nfs/dbraw/zinc/97/66/05/1182976605.db2.gz KCVQNANZXNBEEQ-APWZRJJASA-N 2 2 348.491 2.032 10 0 EEAELP C[C@](C[NH2+]CCC1CC1)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001481933604 1182983748 /nfs/dbraw/zinc/98/37/48/1182983748.db2.gz MNOGXSYXNQXSNH-HNAYVOBHSA-N 2 2 330.476 2.120 10 0 EEAELP C[C@@H]1CCCC[C@@]1(C[NH2+]Cc1nccs1)NC(=O)Cn1cc[nH+]c1 ZINC001481965477 1183046581 /nfs/dbraw/zinc/04/65/81/1183046581.db2.gz XZLBTSFCIPRIBF-PBHICJAKSA-N 2 2 347.488 2.195 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)Cc2c[nH+]cn2C)c1 ZINC001268613460 1183526635 /nfs/dbraw/zinc/52/66/35/1183526635.db2.gz NGDRAGRCQBGNEQ-SNAWJCMRSA-N 2 2 326.444 2.042 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH+]cn2C)c1 ZINC001268620939 1183540180 /nfs/dbraw/zinc/54/01/80/1183540180.db2.gz GJIIGKJAZKPUBO-ONEGZZNKSA-N 2 2 326.444 2.123 10 0 EEAELP C[C@@H](C[NH2+]Cc1cncs1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001268697314 1183618325 /nfs/dbraw/zinc/61/83/25/1183618325.db2.gz NNGYHQQZVOVROT-ZDUSSCGKSA-N 2 2 341.440 2.237 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001269083443 1183946269 /nfs/dbraw/zinc/94/62/69/1183946269.db2.gz DMQSXWLFDPTYLA-HKUYNNGSSA-N 2 2 342.487 2.430 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001269460029 1184281281 /nfs/dbraw/zinc/28/12/81/1184281281.db2.gz PPPSNKGHRNTNAS-GFCCVEGCSA-N 2 2 345.274 2.096 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001269592464 1184420738 /nfs/dbraw/zinc/42/07/38/1184420738.db2.gz CUECKCCIDWELHL-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001269592464 1184420742 /nfs/dbraw/zinc/42/07/42/1184420742.db2.gz CUECKCCIDWELHL-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001269592464 1184420746 /nfs/dbraw/zinc/42/07/46/1184420746.db2.gz CUECKCCIDWELHL-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001269592464 1184420750 /nfs/dbraw/zinc/42/07/50/1184420750.db2.gz CUECKCCIDWELHL-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH+]cn2C)c1 ZINC001482353034 1185486019 /nfs/dbraw/zinc/48/60/19/1185486019.db2.gz ASHKTHLLBYKIPE-QGZVFWFLSA-N 2 2 342.487 2.340 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001271154045 1185977408 /nfs/dbraw/zinc/97/74/08/1185977408.db2.gz BQOLFGYSWFFULA-INIZCTEOSA-N 2 2 344.459 2.085 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001271543461 1186302214 /nfs/dbraw/zinc/30/22/14/1186302214.db2.gz ITHISFZULXPZPQ-ROUUACIJSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001271543461 1186302218 /nfs/dbraw/zinc/30/22/18/1186302218.db2.gz ITHISFZULXPZPQ-ROUUACIJSA-N 2 2 348.491 2.272 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)c(C)o1 ZINC001271585839 1186325797 /nfs/dbraw/zinc/32/57/97/1186325797.db2.gz WGZJOHQMVPSRSN-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001271741191 1186453365 /nfs/dbraw/zinc/45/33/65/1186453365.db2.gz WGQPFWUJFKEILS-YPMHNXCESA-N 2 2 345.274 2.488 10 0 EEAELP CCOCC[N@@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001482659908 1187498220 /nfs/dbraw/zinc/49/82/20/1187498220.db2.gz SYKTYEDDOZUJLB-KSSFIOAISA-N 2 2 342.443 2.136 10 0 EEAELP CCOCC[N@H+]1CC[C@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001482659908 1187498221 /nfs/dbraw/zinc/49/82/21/1187498221.db2.gz SYKTYEDDOZUJLB-KSSFIOAISA-N 2 2 342.443 2.136 10 0 EEAELP CCN(CC[NH2+][C@@H]1CCCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001482971534 1187909412 /nfs/dbraw/zinc/90/94/12/1187909412.db2.gz JYOAXQZIHJHDNM-GOSISDBHSA-N 2 2 326.444 2.399 10 0 EEAELP CCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001670937485 1193529632 /nfs/dbraw/zinc/52/96/32/1193529632.db2.gz PIKXZCUOLOURQD-AYHJJNSGSA-N 2 2 348.491 2.202 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]2CCCCCC2)co1 ZINC001483069605 1188417038 /nfs/dbraw/zinc/41/70/38/1188417038.db2.gz OBNSICGOZGITLW-IYKSTZQJSA-N 2 2 334.464 2.010 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001485894015 1193632396 /nfs/dbraw/zinc/63/23/96/1193632396.db2.gz MQGGDVAFLFKFLQ-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001485899910 1193644270 /nfs/dbraw/zinc/64/42/70/1193644270.db2.gz LZCZEVAEKSAWAY-HUUCEWRRSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]CCC(F)(F)F)c[nH+]1 ZINC001483473327 1190495053 /nfs/dbraw/zinc/49/50/53/1190495053.db2.gz BIMYZFQJKBZAPZ-UHFFFAOYSA-N 2 2 334.386 2.317 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)cc1F)C(=O)CCn1cc[nH+]c1 ZINC001483483464 1190502671 /nfs/dbraw/zinc/50/26/71/1190502671.db2.gz RUVLSKSXUZAWPH-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001483589368 1190576136 /nfs/dbraw/zinc/57/61/36/1190576136.db2.gz FBVOGZZGHKAKHV-OAHLLOKOSA-N 2 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ZINC001483947774 1191127388 /nfs/dbraw/zinc/12/73/88/1191127388.db2.gz WXIBJMFQJDQMTD-APWZRJJASA-N 2 2 340.471 2.412 10 0 EEAELP C[C@@]1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC[N@H+](CC2CCC2)C1 ZINC001484164649 1191252748 /nfs/dbraw/zinc/25/27/48/1191252748.db2.gz ZPLZLVOUWOMKGU-PXNSSMCTSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@@]1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC[N@@H+](CC2CCC2)C1 ZINC001484164649 1191252750 /nfs/dbraw/zinc/25/27/50/1191252750.db2.gz ZPLZLVOUWOMKGU-PXNSSMCTSA-N 2 2 344.503 2.464 10 0 EEAELP C/C(=C\C(=O)NCC[NH+]1CCC([NH2+]CC[C@@H](C)F)CC1)C1CC1 ZINC001484416130 1191341961 /nfs/dbraw/zinc/34/19/61/1191341961.db2.gz CBBMIQXSOYCPOE-SZGUKTLCSA-N 2 2 325.472 2.261 10 0 EEAELP C/C(=C\C(=O)NCC[NH+]1CCC([NH2+]CC[C@H](C)F)CC1)C1CC1 ZINC001484416127 1191342164 /nfs/dbraw/zinc/34/21/64/1191342164.db2.gz CBBMIQXSOYCPOE-BUYIWHAFSA-N 2 2 325.472 2.261 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001484534291 1191402142 /nfs/dbraw/zinc/40/21/42/1191402142.db2.gz VVBKTVYTGRTORS-HNNXBMFYSA-N 2 2 332.473 2.363 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCc1cccc2c1CC[N@H+](CCC1CC1)C2 ZINC001484612142 1191437031 /nfs/dbraw/zinc/43/70/31/1191437031.db2.gz JTPOBEXCEFCZDT-UHFFFAOYSA-N 2 2 338.455 2.358 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCc1cccc2c1CC[N@@H+](CCC1CC1)C2 ZINC001484612142 1191437032 /nfs/dbraw/zinc/43/70/32/1191437032.db2.gz JTPOBEXCEFCZDT-UHFFFAOYSA-N 2 2 338.455 2.358 10 0 EEAELP COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001485061852 1191639836 /nfs/dbraw/zinc/63/98/36/1191639836.db2.gz CRDJSWIOPIHCKP-IAGOWNOFSA-N 2 2 336.480 2.040 10 0 EEAELP COCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001485061852 1191639838 /nfs/dbraw/zinc/63/98/38/1191639838.db2.gz CRDJSWIOPIHCKP-IAGOWNOFSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485161309 1191674626 /nfs/dbraw/zinc/67/46/26/1191674626.db2.gz BPPFNJUVUYZDGQ-WDEREUQCSA-N 2 2 327.388 2.156 10 0 EEAELP 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1197789903 /nfs/dbraw/zinc/78/99/03/1197789903.db2.gz HALRXEVJMYYGAM-GFCCVEGCSA-N 2 2 335.477 2.020 10 0 EEAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccccc1F ZINC001410479295 1198028345 /nfs/dbraw/zinc/02/83/45/1198028345.db2.gz CPMXDIIANQIWGZ-CYBMUJFWSA-N 2 2 332.423 2.463 10 0 EEAELP C[C@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C[N@@H+]1Cc1ccccc1 ZINC000865660392 1198321157 /nfs/dbraw/zinc/32/11/57/1198321157.db2.gz ZFAOTYDZXOWFAU-WDSOQIARSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@H]1C[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C[N@H+]1Cc1ccccc1 ZINC000865660392 1198321162 /nfs/dbraw/zinc/32/11/62/1198321162.db2.gz ZFAOTYDZXOWFAU-WDSOQIARSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@H]1C[C@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)C[NH+]1Cc1ccccc1 ZINC000865660392 1198321170 /nfs/dbraw/zinc/32/11/70/1198321170.db2.gz ZFAOTYDZXOWFAU-WDSOQIARSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@H]1C[C@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C[NH+]1Cc1ccccc1 ZINC000865660392 1198321181 /nfs/dbraw/zinc/32/11/81/1198321181.db2.gz ZFAOTYDZXOWFAU-WDSOQIARSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000810252583 1199404887 /nfs/dbraw/zinc/40/48/87/1199404887.db2.gz GVPQLUFLJDLEBJ-KNBMTAEXSA-N 2 2 340.471 2.146 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870093877 1200462939 /nfs/dbraw/zinc/46/29/39/1200462939.db2.gz XPWLZLQUQZBMRN-RHSMWYFYSA-N 2 2 342.443 2.275 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870895979 1200939105 /nfs/dbraw/zinc/93/91/05/1200939105.db2.gz MITWGLLEEZZICQ-UWVAXJGDSA-N 2 2 342.487 2.274 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]CC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000870911439 1200948019 /nfs/dbraw/zinc/94/80/19/1200948019.db2.gz WWLMECJZMWVWDI-SJLPKXTDSA-N 2 2 337.414 2.216 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC[NH2+]CC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000870911439 1200948024 /nfs/dbraw/zinc/94/80/24/1200948024.db2.gz WWLMECJZMWVWDI-SJLPKXTDSA-N 2 2 337.414 2.216 10 0 EEAELP CC(C)CN(CC1CC[NH+](C)CC1)c1cc(N2CCOCC2)[nH+]cn1 ZINC000866260461 1201478504 /nfs/dbraw/zinc/47/85/04/1201478504.db2.gz HOIOEIKHYZACHR-UHFFFAOYSA-N 2 2 347.507 2.117 10 0 EEAELP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)cc1OC ZINC000866411305 1201510339 /nfs/dbraw/zinc/51/03/39/1201510339.db2.gz IWXGREVATUHUKG-HOCLYGCPSA-N 2 2 336.476 2.070 10 0 EEAELP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1OC ZINC000866411305 1201510342 /nfs/dbraw/zinc/51/03/42/1201510342.db2.gz IWXGREVATUHUKG-HOCLYGCPSA-N 2 2 336.476 2.070 10 0 EEAELP Cc1cccc(C[N@@H+]2CCO[C@@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC000826565198 1204264054 /nfs/dbraw/zinc/26/40/54/1204264054.db2.gz UPDRTJZDSMTMOO-IBGZPJMESA-N 2 2 347.503 2.044 10 0 EEAELP Cc1cccc(C[N@H+]2CCO[C@@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC000826565198 1204264056 /nfs/dbraw/zinc/26/40/56/1204264056.db2.gz UPDRTJZDSMTMOO-IBGZPJMESA-N 2 2 347.503 2.044 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001274629813 1205105233 /nfs/dbraw/zinc/10/52/33/1205105233.db2.gz BLYGQHWJZNQFFU-IMLGJKEDSA-N 2 2 346.381 2.111 10 0 EEAELP C[C@@H](CCNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001274755851 1205153923 /nfs/dbraw/zinc/15/39/23/1205153923.db2.gz VAYRGBGIMJDBET-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000924644132 1206010107 /nfs/dbraw/zinc/01/01/07/1206010107.db2.gz SWDQCWXRUSFJQV-VAMGGRTRSA-N 2 2 334.504 2.325 10 0 EEAELP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000924644132 1206010110 /nfs/dbraw/zinc/01/01/10/1206010110.db2.gz SWDQCWXRUSFJQV-VAMGGRTRSA-N 2 2 334.504 2.325 10 0 EEAELP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000925097350 1206069459 /nfs/dbraw/zinc/06/94/59/1206069459.db2.gz QHVLIEZZERUQIQ-CEXWTWQISA-N 2 2 334.460 2.344 10 0 EEAELP COc1cc(OC)cc([C@H](O)C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000925097350 1206069461 /nfs/dbraw/zinc/06/94/61/1206069461.db2.gz QHVLIEZZERUQIQ-CEXWTWQISA-N 2 2 334.460 2.344 10 0 EEAELP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925464491 1206115279 /nfs/dbraw/zinc/11/52/79/1206115279.db2.gz DEGMBANOXUNWMA-SJORKVTESA-N 2 2 343.471 2.409 10 0 EEAELP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925464491 1206115280 /nfs/dbraw/zinc/11/52/80/1206115280.db2.gz DEGMBANOXUNWMA-SJORKVTESA-N 2 2 343.471 2.409 10 0 EEAELP Cc1ccc(N2CC[C@H]([NH+]3C[C@]4(C)C[NH+](C)C[C@@]4(C)C3)C2=O)cc1 ZINC000931310448 1206623500 /nfs/dbraw/zinc/62/35/00/1206623500.db2.gz KKPHIWZMFHIENQ-IHPCNDPISA-N 2 2 327.472 2.374 10 0 EEAELP O[C@@H](CCC1(O)CCC1)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000931706976 1207445077 /nfs/dbraw/zinc/44/50/77/1207445077.db2.gz LARYKUYDSUJVQD-ZWKOTPCHSA-N 2 2 329.444 2.270 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001490843308 1208467597 /nfs/dbraw/zinc/46/75/97/1208467597.db2.gz SFAHFXUEFZDBQW-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900912663 1234994652 /nfs/dbraw/zinc/99/46/52/1234994652.db2.gz NMZUZNZLGBCAMQ-MRXNPFEDSA-N 2 2 341.459 2.067 10 0 EEAELP C[C@@H]1CC[N@@H+](CCNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900912663 1234994657 /nfs/dbraw/zinc/99/46/57/1234994657.db2.gz NMZUZNZLGBCAMQ-MRXNPFEDSA-N 2 2 341.459 2.067 10 0 EEAELP CCS(=O)(=O)C1(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903055028 1239633335 /nfs/dbraw/zinc/63/33/35/1239633335.db2.gz WCFNIFRXDBXMND-CQSZACIVSA-N 2 2 333.457 2.490 10 0 EEAELP CN1C[C@H](CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC000903210602 1240018123 /nfs/dbraw/zinc/01/81/23/1240018123.db2.gz MAKQNGVWZAHGKU-MSOLQXFVSA-N 2 2 329.488 2.498 10 0 EEAELP CN1C[C@H](CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC000903210602 1240018129 /nfs/dbraw/zinc/01/81/29/1240018129.db2.gz MAKQNGVWZAHGKU-MSOLQXFVSA-N 2 2 329.488 2.498 10 0 EEAELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Cl)nc1 ZINC000851727289 1277735780 /nfs/dbraw/zinc/73/57/80/1277735780.db2.gz ITUBHUXHGGANPE-UHFFFAOYSA-N 2 2 336.867 2.481 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000851762887 1277745752 /nfs/dbraw/zinc/74/57/52/1277745752.db2.gz BTYHYBXPBJHXHP-INIZCTEOSA-N 2 2 343.512 2.019 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000851762887 1277745758 /nfs/dbraw/zinc/74/57/58/1277745758.db2.gz BTYHYBXPBJHXHP-INIZCTEOSA-N 2 2 343.512 2.019 10 0 EEAELP CCc1ccc(C[NH2+]CCN(CC)C(=O)Cc2c[nH+]cn2C)cc1 ZINC001273709870 1283823897 /nfs/dbraw/zinc/82/38/97/1283823897.db2.gz ATUVCSZDMRDGII-UHFFFAOYSA-N 2 2 328.460 2.163 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)C12CC[NH+](CC1)C2 ZINC001273710083 1283869325 /nfs/dbraw/zinc/86/93/25/1283869325.db2.gz IGYKBKLIHQYITH-UHFFFAOYSA-N 2 2 348.491 2.006 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)N2CCOCC2)cc1 ZINC000925485202 1284412948 /nfs/dbraw/zinc/41/29/48/1284412948.db2.gz LIDCPFJOCGWBAG-OALUTQOASA-N 2 2 329.488 2.243 10 0 EEAELP CC(C)CC[NH2+]Cc1nc2c(s1)CCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001489340922 1290525332 /nfs/dbraw/zinc/52/53/32/1290525332.db2.gz VTBBWLZAGOMVLR-UHFFFAOYSA-N 2 2 347.488 2.060 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC001490216677 1291089726 /nfs/dbraw/zinc/08/97/26/1291089726.db2.gz HASXGJOOWBFOCS-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC001490216677 1291089732 /nfs/dbraw/zinc/08/97/32/1291089732.db2.gz HASXGJOOWBFOCS-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP C[C@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)c1ccccc1F ZINC001490746178 1291659985 /nfs/dbraw/zinc/65/99/85/1291659985.db2.gz XFWTYCVUAWKJJI-SUMWQHHRSA-N 2 2 330.407 2.268 10 0 EEAELP C[NH+]1CCN(C(=O)CC2CC[NH+](CC=C(Cl)Cl)CC2)CC1 ZINC000851841232 1291878028 /nfs/dbraw/zinc/87/80/28/1291878028.db2.gz GKNOPMWHMXMHMR-UHFFFAOYSA-N 2 2 334.291 2.182 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857867696 1293936638 /nfs/dbraw/zinc/93/66/38/1293936638.db2.gz IJPPWMZISPOPHS-MRXNPFEDSA-N 2 2 329.448 2.302 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857867696 1293936642 /nfs/dbraw/zinc/93/66/42/1293936642.db2.gz IJPPWMZISPOPHS-MRXNPFEDSA-N 2 2 329.448 2.302 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013471 1293987891 /nfs/dbraw/zinc/98/78/91/1293987891.db2.gz CWHTVTAFXNRVIV-RBUKOAKNSA-N 2 2 345.487 2.259 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013471 1293987892 /nfs/dbraw/zinc/98/78/92/1293987892.db2.gz CWHTVTAFXNRVIV-RBUKOAKNSA-N 2 2 345.487 2.259 10 0 EEAELP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)CC1 ZINC000858101552 1294006514 /nfs/dbraw/zinc/00/65/14/1294006514.db2.gz BKOZNGQDECQDGK-UHFFFAOYSA-N 2 2 328.435 2.258 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)OCc1cccc(Cl)c1 ZINC000859220579 1294352474 /nfs/dbraw/zinc/35/24/74/1294352474.db2.gz PVSPEHVTBLZFKK-UHFFFAOYSA-N 2 2 327.856 2.450 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)OCc1cccc(Cl)c1 ZINC000859220579 1294352479 /nfs/dbraw/zinc/35/24/79/1294352479.db2.gz PVSPEHVTBLZFKK-UHFFFAOYSA-N 2 2 327.856 2.450 10 0 EEAELP C[C@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306547 1302299500 /nfs/dbraw/zinc/29/95/00/1302299500.db2.gz VPYZHFKGEGVGAY-CYBMUJFWSA-N 2 2 341.415 2.168 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001277911363 1305062078 /nfs/dbraw/zinc/06/20/78/1305062078.db2.gz XRPULWSIBMWXFC-KRWDZBQOSA-N 2 2 344.434 2.236 10 0 EEAELP Cc1cccn2cc(CC(=O)N3C[C@H]([NH2+]CCCF)C[C@H]3C)[nH+]c12 ZINC001278403317 1310063011 /nfs/dbraw/zinc/06/30/11/1310063011.db2.gz HVERGSCWTOIZEY-HUUCEWRRSA-N 2 2 332.423 2.124 10 0 EEAELP C[C@@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278504494 1310888340 /nfs/dbraw/zinc/88/83/40/1310888340.db2.gz MQZXUCORKSPYGQ-FQEVSTJZSA-N 2 2 340.471 2.413 10 0 EEAELP C[C@@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278504494 1310888342 /nfs/dbraw/zinc/88/83/42/1310888342.db2.gz MQZXUCORKSPYGQ-FQEVSTJZSA-N 2 2 340.471 2.413 10 0 EEAELP CC(C)[C@H]([NH3+])c1noc(CN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000843150738 1315855868 /nfs/dbraw/zinc/85/58/68/1315855868.db2.gz CTODRQFBUPLADD-KRWDZBQOSA-N 2 2 329.448 2.043 10 0 EEAELP COCCC[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843399742 1315907726 /nfs/dbraw/zinc/90/77/26/1315907726.db2.gz KMBOZNLLTVUBGK-JKSUJKDBSA-N 2 2 343.512 2.190 10 0 EEAELP COCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843399742 1315907727 /nfs/dbraw/zinc/90/77/27/1315907727.db2.gz KMBOZNLLTVUBGK-JKSUJKDBSA-N 2 2 343.512 2.190 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1(C)C ZINC001278652081 1317565765 /nfs/dbraw/zinc/56/57/65/1317565765.db2.gz ZNWVIXLDNQQBRG-JKSUJKDBSA-N 2 2 330.476 2.238 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001278954090 1318816851 /nfs/dbraw/zinc/81/68/51/1318816851.db2.gz SKUJFURUNUDKTD-XIRDDKMYSA-N 2 2 336.455 2.451 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCF)C2 ZINC001278954090 1318816859 /nfs/dbraw/zinc/81/68/59/1318816859.db2.gz SKUJFURUNUDKTD-XIRDDKMYSA-N 2 2 336.455 2.451 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001278954090 1318816867 /nfs/dbraw/zinc/81/68/67/1318816867.db2.gz SKUJFURUNUDKTD-XIRDDKMYSA-N 2 2 336.455 2.451 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCF)C2 ZINC001278954090 1318816875 /nfs/dbraw/zinc/81/68/75/1318816875.db2.gz SKUJFURUNUDKTD-XIRDDKMYSA-N 2 2 336.455 2.451 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)Cc2coc(C3CC3)n2)CC[N@@H+]1C ZINC001265027097 1322870790 /nfs/dbraw/zinc/87/07/90/1322870790.db2.gz FUBFYJJDBJOAOC-HOCLYGCPSA-N 2 2 348.491 2.220 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)Cc2coc(C3CC3)n2)CC[N@H+]1C ZINC001265027097 1322870795 /nfs/dbraw/zinc/87/07/95/1322870795.db2.gz FUBFYJJDBJOAOC-HOCLYGCPSA-N 2 2 348.491 2.220 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCC[N@H+](C)Cc2coc(C3CC3)n2)CC[NH+]1C ZINC001265027097 1322870798 /nfs/dbraw/zinc/87/07/98/1322870798.db2.gz FUBFYJJDBJOAOC-HOCLYGCPSA-N 2 2 348.491 2.220 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCCC[N@@H+](C)Cc2coc(C3CC3)n2)CC[NH+]1C ZINC001265027097 1322870802 /nfs/dbraw/zinc/87/08/02/1322870802.db2.gz FUBFYJJDBJOAOC-HOCLYGCPSA-N 2 2 348.491 2.220 10 0 EEAELP Cc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)CCCC[NH+](C)C)o1 ZINC001265655216 1323300976 /nfs/dbraw/zinc/30/09/76/1323300976.db2.gz CJZMCPSFVXRUNJ-INIZCTEOSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)CCCC[NH+](C)C)o1 ZINC001265655216 1323300980 /nfs/dbraw/zinc/30/09/80/1323300980.db2.gz CJZMCPSFVXRUNJ-INIZCTEOSA-N 2 2 336.480 2.186 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]Cc2ccc(CF)cc2)C1 ZINC001280207351 1324114250 /nfs/dbraw/zinc/11/42/50/1324114250.db2.gz JPPONXQVVYMUPN-QGZVFWFLSA-N 2 2 344.434 2.450 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@H+](C)CCOCC3CC3)ccn12 ZINC001282391162 1325705525 /nfs/dbraw/zinc/70/55/25/1325705525.db2.gz MEEGOXFXRNFQGW-AWEZNQCLSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@@H+](C)CCOCC3CC3)ccn12 ZINC001282391162 1325705529 /nfs/dbraw/zinc/70/55/29/1325705529.db2.gz MEEGOXFXRNFQGW-AWEZNQCLSA-N 2 2 344.459 2.119 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1C[NH+](CCCCCF)C1 ZINC001282726460 1325773373 /nfs/dbraw/zinc/77/33/73/1325773373.db2.gz SPIMIAWXNYOWLN-GJZGRUSLSA-N 2 2 336.455 2.022 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nccs1)c1ccccc1 ZINC001491641540 1330194589 /nfs/dbraw/zinc/19/45/89/1330194589.db2.gz SQRVINCAFLNQOC-RHSMWYFYSA-N 2 2 346.500 2.430 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1nccs1)c1ccccc1 ZINC001491641540 1330194590 /nfs/dbraw/zinc/19/45/90/1330194590.db2.gz SQRVINCAFLNQOC-RHSMWYFYSA-N 2 2 346.500 2.430 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC001491842016 1330271057 /nfs/dbraw/zinc/27/10/57/1330271057.db2.gz 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2.136 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001672901394 1356610863 /nfs/dbraw/zinc/61/08/63/1356610863.db2.gz GJOYLXNIONGEGS-CQSZACIVSA-N 2 2 347.488 2.054 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1CC(C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001674612668 1356864447 /nfs/dbraw/zinc/86/44/47/1356864447.db2.gz XVBNHDLLLINGHV-XBXARRHUSA-N 2 2 338.455 2.471 10 0 EEAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)[NH2+]CCOCC1CCC1 ZINC001674702348 1356879883 /nfs/dbraw/zinc/87/98/83/1356879883.db2.gz TYSKPWCPTAIHPW-HUUCEWRRSA-N 2 2 344.459 2.247 10 0 EEAELP O=C(NC[C@H]1C[C@H]([NH2+]CCCCCF)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001691794962 1404948978 /nfs/dbraw/zinc/94/89/78/1404948978.db2.gz TYJZGTNYNJOEGX-JYJNAYRXSA-N 2 2 336.455 2.070 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1F ZINC001698854631 1405112235 /nfs/dbraw/zinc/11/22/35/1405112235.db2.gz JUMBBLHYAYCOAI-CYBMUJFWSA-N 2 2 332.423 2.079 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001699116357 1405271484 /nfs/dbraw/zinc/27/14/84/1405271484.db2.gz XCWSIZZPCRRRHI-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP CN(C(=O)C1(F)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000843575567 759866103 /nfs/dbraw/zinc/86/61/03/759866103.db2.gz XKOKPPFDLHJNTK-CVEARBPZSA-N 2 2 325.472 2.284 10 0 EEAELP CN(C(=O)C1(F)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000843575567 759866106 /nfs/dbraw/zinc/86/61/06/759866106.db2.gz XKOKPPFDLHJNTK-CVEARBPZSA-N 2 2 325.472 2.284 10 0 EEAELP CC[N@@H+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000908142421 785121440 /nfs/dbraw/zinc/12/14/40/785121440.db2.gz LIIGZDMXPAIKIB-MRXNPFEDSA-N 2 2 341.459 2.161 10 0 EEAELP CC[N@H+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000908142421 785121445 /nfs/dbraw/zinc/12/14/45/785121445.db2.gz LIIGZDMXPAIKIB-MRXNPFEDSA-N 2 2 341.459 2.161 10 0 EEAELP CC[NH+]1CCN(c2nc3c(s2)C[N@H+](Cc2ccco2)CC3)CC1 ZINC000169751812 785200192 /nfs/dbraw/zinc/20/01/92/785200192.db2.gz ZMTAWIHRCQCXGI-UHFFFAOYSA-N 2 2 332.473 2.436 10 0 EEAELP CC[NH+]1CCN(c2nc3c(s2)C[N@@H+](Cc2ccco2)CC3)CC1 ZINC000169751812 785200204 /nfs/dbraw/zinc/20/02/04/785200204.db2.gz ZMTAWIHRCQCXGI-UHFFFAOYSA-N 2 2 332.473 2.436 10 0 EEAELP O=C(CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1)Nc1cccc(F)c1 ZINC000585133735 786648798 /nfs/dbraw/zinc/64/87/98/786648798.db2.gz SQTRCTCKCPPYTE-UHFFFAOYSA-N 2 2 349.450 2.341 10 0 EEAELP O=C(CC[NH+]1CCC([N@H+]2CCCOCC2)CC1)Nc1cccc(F)c1 ZINC000585133735 786648804 /nfs/dbraw/zinc/64/88/04/786648804.db2.gz SQTRCTCKCPPYTE-UHFFFAOYSA-N 2 2 349.450 2.341 10 0 EEAELP O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000821587499 786803800 /nfs/dbraw/zinc/80/38/00/786803800.db2.gz ANDAOXHLSYADMM-CEXWTWQISA-N 2 2 344.455 2.057 10 0 EEAELP O=C(O[C@H]1C[C@@H]([NH+]2CCOCC2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000821587499 786803804 /nfs/dbraw/zinc/80/38/04/786803804.db2.gz ANDAOXHLSYADMM-CEXWTWQISA-N 2 2 344.455 2.057 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC(C)(C)CC[NH+]1CCOCC1 ZINC000912949493 788513005 /nfs/dbraw/zinc/51/30/05/788513005.db2.gz TUQSAFHMEFHFPM-OAHLLOKOSA-N 2 2 336.480 2.014 10 0 EEAELP C[NH2+]C1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923285788 789309118 /nfs/dbraw/zinc/30/91/18/789309118.db2.gz DUBFGMPAEIITKN-CYBMUJFWSA-N 2 2 333.259 2.417 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518252 789708125 /nfs/dbraw/zinc/70/81/25/789708125.db2.gz JWQLRUHKIKQIFS-QLFBSQMISA-N 2 2 331.485 2.055 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518252 789708131 /nfs/dbraw/zinc/70/81/31/789708131.db2.gz JWQLRUHKIKQIFS-QLFBSQMISA-N 2 2 331.485 2.055 10 0 EEAELP C[NH+]1CCC(CC(=O)NCCn2c[nH+]cc2-c2ccccc2)CC1 ZINC000913711194 794164748 /nfs/dbraw/zinc/16/47/48/794164748.db2.gz KVAIVYAVQYYWBQ-UHFFFAOYSA-N 2 2 326.444 2.398 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@@H](C)C1 ZINC000930000383 798403501 /nfs/dbraw/zinc/40/35/01/798403501.db2.gz OPPLSINSJZDVAY-SWLSCSKDSA-N 2 2 334.489 2.227 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@@H](C)C1 ZINC000930000383 798403507 /nfs/dbraw/zinc/40/35/07/798403507.db2.gz OPPLSINSJZDVAY-SWLSCSKDSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@@H](C)C1 ZINC000930000383 798403513 /nfs/dbraw/zinc/40/35/13/798403513.db2.gz OPPLSINSJZDVAY-SWLSCSKDSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@@H](C)C1 ZINC000930000383 798403521 /nfs/dbraw/zinc/40/35/21/798403521.db2.gz OPPLSINSJZDVAY-SWLSCSKDSA-N 2 2 334.489 2.227 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000921962365 798428234 /nfs/dbraw/zinc/42/82/34/798428234.db2.gz YBISOHHUGQOQTO-KRWDZBQOSA-N 2 2 339.443 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000921962365 798428237 /nfs/dbraw/zinc/42/82/37/798428237.db2.gz YBISOHHUGQOQTO-KRWDZBQOSA-N 2 2 339.443 2.184 10 0 EEAELP CC[C@@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001436414675 1087770526 /nfs/dbraw/zinc/77/05/26/1087770526.db2.gz IGVCQKYXYUFGTK-NUEKZKHPSA-N 2 2 337.439 2.255 10 0 EEAELP CC[C@@H](C[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001436474791 1087939975 /nfs/dbraw/zinc/93/99/75/1087939975.db2.gz JGNZTAMHRNKBRT-HOTGVXAUSA-N 2 2 336.480 2.046 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)sn1 ZINC001436811653 1088399147 /nfs/dbraw/zinc/39/91/47/1088399147.db2.gz FSJNOFFGCBYJQT-CJNGLKHVSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c(C)n1 ZINC001436965499 1088656246 /nfs/dbraw/zinc/65/62/46/1088656246.db2.gz LGMMXZTWUWFOEK-OLMNPRSZSA-N 2 2 341.459 2.283 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]C/C=C\c1ccccc1 ZINC001437164156 1089178725 /nfs/dbraw/zinc/17/87/25/1089178725.db2.gz MGSQNFVKJVSSAF-YZJPHSQXSA-N 2 2 338.455 2.253 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC001437175111 1089206659 /nfs/dbraw/zinc/20/66/59/1089206659.db2.gz SHSXRZQOIBZWKY-NSHDSACASA-N 2 2 338.814 2.279 10 0 EEAELP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@H](C)c1ncc(C)o1 ZINC001437598036 1090103890 /nfs/dbraw/zinc/10/38/90/1090103890.db2.gz UEUKRWFUHJRRKT-HZPDHXFCSA-N 2 2 336.480 2.357 10 0 EEAELP CC[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@H](C)c1ncc(C)o1 ZINC001437598036 1090103892 /nfs/dbraw/zinc/10/38/92/1090103892.db2.gz UEUKRWFUHJRRKT-HZPDHXFCSA-N 2 2 336.480 2.357 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@H](C)c1ncc(C)o1 ZINC001437598036 1090103898 /nfs/dbraw/zinc/10/38/98/1090103898.db2.gz UEUKRWFUHJRRKT-HZPDHXFCSA-N 2 2 336.480 2.357 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@H](C)c1ncc(C)o1 ZINC001437598036 1090103902 /nfs/dbraw/zinc/10/39/02/1090103902.db2.gz UEUKRWFUHJRRKT-HZPDHXFCSA-N 2 2 336.480 2.357 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)Cc1cc(C)ccc1F ZINC001437642477 1090161620 /nfs/dbraw/zinc/16/16/20/1090161620.db2.gz LULGHUYEEBRTFF-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)Cc1cc(C)ccc1F ZINC001437642477 1090161621 /nfs/dbraw/zinc/16/16/21/1090161621.db2.gz LULGHUYEEBRTFF-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001437713887 1090260225 /nfs/dbraw/zinc/26/02/25/1090260225.db2.gz KVJKJDQJIWNGKX-INIZCTEOSA-N 2 2 331.460 2.261 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001437713887 1090260229 /nfs/dbraw/zinc/26/02/29/1090260229.db2.gz KVJKJDQJIWNGKX-INIZCTEOSA-N 2 2 331.460 2.261 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001438662953 1091150124 /nfs/dbraw/zinc/15/01/24/1091150124.db2.gz SDZNBYNUHXWITJ-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001438662953 1091150131 /nfs/dbraw/zinc/15/01/31/1091150131.db2.gz SDZNBYNUHXWITJ-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001438671554 1091162628 /nfs/dbraw/zinc/16/26/28/1091162628.db2.gz BEPHRQFXHGTCHC-UKRRQHHQSA-N 2 2 336.480 2.355 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439262670 1091914821 /nfs/dbraw/zinc/91/48/21/1091914821.db2.gz GKNHBUJJIIBGAV-KBPBESRZSA-N 2 2 332.423 2.352 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001439262670 1091914828 /nfs/dbraw/zinc/91/48/28/1091914828.db2.gz GKNHBUJJIIBGAV-KBPBESRZSA-N 2 2 332.423 2.352 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC001445996273 1091971253 /nfs/dbraw/zinc/97/12/53/1091971253.db2.gz ZOZGLKLBQMPQOI-OCCSQVGLSA-N 2 2 340.418 2.262 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439339051 1092036532 /nfs/dbraw/zinc/03/65/32/1092036532.db2.gz MOZKWYSAGHGYBL-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439339051 1092036542 /nfs/dbraw/zinc/03/65/42/1092036542.db2.gz MOZKWYSAGHGYBL-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC001439339778 1092038257 /nfs/dbraw/zinc/03/82/57/1092038257.db2.gz POZWZABGSBNAEA-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC001439339778 1092038266 /nfs/dbraw/zinc/03/82/66/1092038266.db2.gz POZWZABGSBNAEA-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP CCO[C@@H](C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001446064275 1092080057 /nfs/dbraw/zinc/08/00/57/1092080057.db2.gz OCCCZYWFGXOBSH-YJBOKZPZSA-N 2 2 342.443 2.182 10 0 EEAELP CCO[C@@H](C[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001446064275 1092080071 /nfs/dbraw/zinc/08/00/71/1092080071.db2.gz OCCCZYWFGXOBSH-YJBOKZPZSA-N 2 2 342.443 2.182 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001439400545 1092156340 /nfs/dbraw/zinc/15/63/40/1092156340.db2.gz NDGIPQYXMOKVGP-SCLBCKFNSA-N 2 2 326.444 2.385 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001439400545 1092156344 /nfs/dbraw/zinc/15/63/44/1092156344.db2.gz NDGIPQYXMOKVGP-SCLBCKFNSA-N 2 2 326.444 2.385 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(F)c1)[NH+]1CCCC1 ZINC001439547270 1092417558 /nfs/dbraw/zinc/41/75/58/1092417558.db2.gz HWLVLPFTIWQNQR-QGZVFWFLSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CC[N@H+]1Cc1cccc(F)c1)[NH+]1CCCC1 ZINC001439547270 1092417563 /nfs/dbraw/zinc/41/75/63/1092417563.db2.gz HWLVLPFTIWQNQR-QGZVFWFLSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1C[C@H]1CC(C)(C)CO1 ZINC001439555515 1092431324 /nfs/dbraw/zinc/43/13/24/1092431324.db2.gz DMBCFIWPTBHNMU-HZPDHXFCSA-N 2 2 348.491 2.012 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC001439555515 1092431327 /nfs/dbraw/zinc/43/13/27/1092431327.db2.gz DMBCFIWPTBHNMU-HZPDHXFCSA-N 2 2 348.491 2.012 10 0 EEAELP CC(C)[NH+]1CCC2(CO[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001439811826 1092780471 /nfs/dbraw/zinc/78/04/71/1092780471.db2.gz QNQFDWLGKYXLQX-SJORKVTESA-N 2 2 348.491 2.230 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCC(C)CC3)C2)c(C)o1 ZINC001439857368 1092883114 /nfs/dbraw/zinc/88/31/14/1092883114.db2.gz XHFLCGSTLICMAS-LJQANCHMSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCC(C)CC3)C2)c(C)o1 ZINC001439857368 1092883121 /nfs/dbraw/zinc/88/31/21/1092883121.db2.gz XHFLCGSTLICMAS-LJQANCHMSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001448673098 1093740657 /nfs/dbraw/zinc/74/06/57/1093740657.db2.gz OCBOEOALQXJQGI-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001448673098 1093740661 /nfs/dbraw/zinc/74/06/61/1093740661.db2.gz OCBOEOALQXJQGI-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP C[N@H+](CCC(F)(F)F)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001440523799 1093777763 /nfs/dbraw/zinc/77/77/63/1093777763.db2.gz YFPJAFZDXAKDCB-ZDUSSCGKSA-N 2 2 332.370 2.218 10 0 EEAELP C[N@@H+](CCC(F)(F)F)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001440523799 1093777767 /nfs/dbraw/zinc/77/77/67/1093777767.db2.gz YFPJAFZDXAKDCB-ZDUSSCGKSA-N 2 2 332.370 2.218 10 0 EEAELP CCC1([NH2+]CC[C@@H]2CCCO2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001440536830 1093799214 /nfs/dbraw/zinc/79/92/14/1093799214.db2.gz FHJUKBPIADOSPF-INIZCTEOSA-N 2 2 348.491 2.191 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cn2)[C@H]1C ZINC001449024789 1094032043 /nfs/dbraw/zinc/03/20/43/1094032043.db2.gz FXSYQYUILSUUSN-WMLDXEAASA-N 2 2 336.455 2.030 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cn2)[C@H]1C ZINC001449024789 1094032048 /nfs/dbraw/zinc/03/20/48/1094032048.db2.gz FXSYQYUILSUUSN-WMLDXEAASA-N 2 2 336.455 2.030 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@H]1C ZINC001449024789 1094032062 /nfs/dbraw/zinc/03/20/62/1094032062.db2.gz FXSYQYUILSUUSN-WMLDXEAASA-N 2 2 336.455 2.030 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001440940722 1094192707 /nfs/dbraw/zinc/19/27/07/1094192707.db2.gz IBZWZMVJJMJBBU-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001440940722 1094192711 /nfs/dbraw/zinc/19/27/11/1094192711.db2.gz IBZWZMVJJMJBBU-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001449255313 1094203957 /nfs/dbraw/zinc/20/39/57/1094203957.db2.gz XDSHKKQTOHXLNB-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC1CCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001449255313 1094203960 /nfs/dbraw/zinc/20/39/60/1094203960.db2.gz XDSHKKQTOHXLNB-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CCC([C@H](C)NC(=O)Cn3cc[nH+]c3)CC2)o1 ZINC001449363467 1094327475 /nfs/dbraw/zinc/32/74/75/1094327475.db2.gz DMYZSCHFCLZTON-GJZGRUSLSA-N 2 2 345.447 2.157 10 0 EEAELP CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001441128919 1094456083 /nfs/dbraw/zinc/45/60/83/1094456083.db2.gz AGHQSSKHWKOUQE-JKSUJKDBSA-N 2 2 332.492 2.370 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001441355267 1094870123 /nfs/dbraw/zinc/87/01/23/1094870123.db2.gz CLKALXBWGNUSDL-BRWVUGGUSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)no1 ZINC001441656158 1095618310 /nfs/dbraw/zinc/61/83/10/1095618310.db2.gz KUVGOJIQRUHDDY-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1cncc(C[N@@H+](C)CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)C)c1 ZINC001442119987 1096354906 /nfs/dbraw/zinc/35/49/06/1096354906.db2.gz JHBWIQFBHURILC-UHFFFAOYSA-N 2 2 329.448 2.025 10 0 EEAELP Cc1cncc(C[N@H+](C)CCN(C(=O)Cc2c[nH+]c[nH]2)C(C)C)c1 ZINC001442119987 1096354911 /nfs/dbraw/zinc/35/49/11/1096354911.db2.gz JHBWIQFBHURILC-UHFFFAOYSA-N 2 2 329.448 2.025 10 0 EEAELP Cc1ncsc1C[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001442123361 1096359754 /nfs/dbraw/zinc/35/97/54/1096359754.db2.gz AGRFHCHHHIWGNC-UHFFFAOYSA-N 2 2 335.477 2.017 10 0 EEAELP Cc1ncsc1C[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1)C(C)C ZINC001442123361 1096359760 /nfs/dbraw/zinc/35/97/60/1096359760.db2.gz AGRFHCHHHIWGNC-UHFFFAOYSA-N 2 2 335.477 2.017 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001442883813 1097279125 /nfs/dbraw/zinc/27/91/25/1097279125.db2.gz OHSDCGDCPOVHBH-GDBMZVCRSA-N 2 2 344.434 2.366 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001442883813 1097279137 /nfs/dbraw/zinc/27/91/37/1097279137.db2.gz OHSDCGDCPOVHBH-GDBMZVCRSA-N 2 2 344.434 2.366 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001442883813 1097279141 /nfs/dbraw/zinc/27/91/41/1097279141.db2.gz OHSDCGDCPOVHBH-GDBMZVCRSA-N 2 2 344.434 2.366 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001442883813 1097279148 /nfs/dbraw/zinc/27/91/48/1097279148.db2.gz OHSDCGDCPOVHBH-GDBMZVCRSA-N 2 2 344.434 2.366 10 0 EEAELP CC[C@@H](F)C[NH2+][C@H](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001443136447 1097563060 /nfs/dbraw/zinc/56/30/60/1097563060.db2.gz FZCJNQBRKWTGDL-GDBMZVCRSA-N 2 2 338.471 2.318 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001443253855 1097729703 /nfs/dbraw/zinc/72/97/03/1097729703.db2.gz MTDPTNOSUOKJLL-QGZVFWFLSA-N 2 2 344.503 2.390 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001443253855 1097729709 /nfs/dbraw/zinc/72/97/09/1097729709.db2.gz MTDPTNOSUOKJLL-QGZVFWFLSA-N 2 2 344.503 2.390 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001443352721 1097877114 /nfs/dbraw/zinc/87/71/14/1097877114.db2.gz TUYZXYRXHYHWJQ-IAGOWNOFSA-N 2 2 336.480 2.040 10 0 EEAELP CC(C)OCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001443352721 1097877121 /nfs/dbraw/zinc/87/71/21/1097877121.db2.gz TUYZXYRXHYHWJQ-IAGOWNOFSA-N 2 2 336.480 2.040 10 0 EEAELP CO[C@H](C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCC1 ZINC001479691077 1098752184 /nfs/dbraw/zinc/75/21/84/1098752184.db2.gz GVKWBSMFMRJCAG-IAGOWNOFSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001444423650 1099046205 /nfs/dbraw/zinc/04/62/05/1099046205.db2.gz TZFIGRWHELUPRT-ZIAGYGMSSA-N 2 2 328.407 2.051 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001479973107 1099422451 /nfs/dbraw/zinc/42/24/51/1099422451.db2.gz WRCDDQDSGVQYED-OALUTQOASA-N 2 2 347.503 2.152 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001479973107 1099422467 /nfs/dbraw/zinc/42/24/67/1099422467.db2.gz WRCDDQDSGVQYED-OALUTQOASA-N 2 2 347.503 2.152 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001480486616 1100296041 /nfs/dbraw/zinc/29/60/41/1100296041.db2.gz OPWFJWURAQMFNJ-AWEZNQCLSA-N 2 2 345.418 2.397 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001495107707 1100757644 /nfs/dbraw/zinc/75/76/44/1100757644.db2.gz JROJOYBXVGVHCJ-CQSZACIVSA-N 2 2 347.463 2.162 10 0 EEAELP CN(C(=O)CCC[NH+]1CCCC1)C1C[NH+](CCc2ccccc2F)C1 ZINC001446416281 1100827010 /nfs/dbraw/zinc/82/70/10/1100827010.db2.gz RLTRSTPXRICCFP-UHFFFAOYSA-N 2 2 347.478 2.387 10 0 EEAELP C[C@H]([NH2+]CCOC1CCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001496445187 1101035926 /nfs/dbraw/zinc/03/59/26/1101035926.db2.gz QLCWJFIUVKORHC-DLBZAZTESA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001496127316 1102110140 /nfs/dbraw/zinc/11/01/40/1102110140.db2.gz VXECVSYGADMTPY-NADMHLTPSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@@H](CC[NH2+][C@H]1CCc2c1c(F)ccc2F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001497278048 1102242673 /nfs/dbraw/zinc/24/26/73/1102242673.db2.gz REOQAYIGSGKUPR-ZBEGNZNMSA-N 2 2 348.397 2.402 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1COC2(C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001447402281 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ZINC000262978852 152350088 /nfs/dbraw/zinc/35/00/88/152350088.db2.gz MNPAUSVTAAYNBC-TZMCWYRMSA-N 2 2 343.443 2.074 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207322 154004080 /nfs/dbraw/zinc/00/40/80/154004080.db2.gz IVUZJZYGBWDAGW-CYBMUJFWSA-N 2 2 332.473 2.398 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374207322 154004083 /nfs/dbraw/zinc/00/40/83/154004083.db2.gz IVUZJZYGBWDAGW-CYBMUJFWSA-N 2 2 332.473 2.398 10 0 EEAELP CS(=O)(=O)c1ccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374209544 154005914 /nfs/dbraw/zinc/00/59/14/154005914.db2.gz CGRGQNZGKYUGKE-UHFFFAOYSA-N 2 2 349.456 2.072 10 0 EEAELP C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101643356 159254346 /nfs/dbraw/zinc/25/43/46/159254346.db2.gz OUJCRBGAAWPNTM-XHSDSOJGSA-N 2 2 330.476 2.428 10 0 EEAELP C[C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101643356 159254348 /nfs/dbraw/zinc/25/43/48/159254348.db2.gz OUJCRBGAAWPNTM-XHSDSOJGSA-N 2 2 330.476 2.428 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1F ZINC000188124571 160117231 /nfs/dbraw/zinc/11/72/31/160117231.db2.gz QMCSYHUVVODWAV-UHFFFAOYSA-N 2 2 328.347 2.302 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000246418381 160278376 /nfs/dbraw/zinc/27/83/76/160278376.db2.gz NBFOAWKTGNBZSO-QBUWPKIASA-N 2 2 348.512 2.349 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000246418381 160278378 /nfs/dbraw/zinc/27/83/78/160278378.db2.gz NBFOAWKTGNBZSO-QBUWPKIASA-N 2 2 348.512 2.349 10 0 EEAELP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000355784899 163301695 /nfs/dbraw/zinc/30/16/95/163301695.db2.gz OPFCGLBJRNOXAZ-KZNAEPCWSA-N 2 2 344.503 2.487 10 0 EEAELP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000355784899 163301697 /nfs/dbraw/zinc/30/16/97/163301697.db2.gz OPFCGLBJRNOXAZ-KZNAEPCWSA-N 2 2 344.503 2.487 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)C2 ZINC000356151831 163351028 /nfs/dbraw/zinc/35/10/28/163351028.db2.gz XWGCIZRGEYDFDX-UONOGXRCSA-N 2 2 329.448 2.287 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)CC2 ZINC000356151831 163351031 /nfs/dbraw/zinc/35/10/31/163351031.db2.gz XWGCIZRGEYDFDX-UONOGXRCSA-N 2 2 329.448 2.287 10 0 EEAELP CCCc1nsc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000360051908 164223582 /nfs/dbraw/zinc/22/35/82/164223582.db2.gz ONWKHOWHWKITTB-YIONKMFJSA-N 2 2 335.521 2.238 10 0 EEAELP CCCc1nsc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000360051908 164223583 /nfs/dbraw/zinc/22/35/83/164223583.db2.gz ONWKHOWHWKITTB-YIONKMFJSA-N 2 2 335.521 2.238 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000360248733 164267095 /nfs/dbraw/zinc/26/70/95/164267095.db2.gz JIQSLOKWUUJHGS-UKRRQHHQSA-N 2 2 349.866 2.028 10 0 EEAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(N2CCOCC2)c1 ZINC000368099610 166050520 /nfs/dbraw/zinc/05/05/20/166050520.db2.gz GGVNNOISTAJHIH-HOCLYGCPSA-N 2 2 326.444 2.454 10 0 EEAELP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(N2CCOCC2)c1 ZINC000368099610 166050522 /nfs/dbraw/zinc/05/05/22/166050522.db2.gz GGVNNOISTAJHIH-HOCLYGCPSA-N 2 2 326.444 2.454 10 0 EEAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(N2CCOCC2)c1 ZINC000368099611 166051050 /nfs/dbraw/zinc/05/10/50/166051050.db2.gz GGVNNOISTAJHIH-ZBFHGGJFSA-N 2 2 326.444 2.454 10 0 EEAELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(N2CCOCC2)c1 ZINC000368099611 166051053 /nfs/dbraw/zinc/05/10/53/166051053.db2.gz GGVNNOISTAJHIH-ZBFHGGJFSA-N 2 2 326.444 2.454 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000369742831 166325135 /nfs/dbraw/zinc/32/51/35/166325135.db2.gz VKAAMQILMXTWAN-BBRMVZONSA-N 2 2 347.488 2.364 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369742831 166325139 /nfs/dbraw/zinc/32/51/39/166325139.db2.gz VKAAMQILMXTWAN-BBRMVZONSA-N 2 2 347.488 2.364 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000278309608 269222634 /nfs/dbraw/zinc/22/26/34/269222634.db2.gz BERQDWHZQBOMHM-GDBMZVCRSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000278309608 269222636 /nfs/dbraw/zinc/22/26/36/269222636.db2.gz BERQDWHZQBOMHM-GDBMZVCRSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000278309608 269222637 /nfs/dbraw/zinc/22/26/37/269222637.db2.gz BERQDWHZQBOMHM-GDBMZVCRSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000278309608 269222639 /nfs/dbraw/zinc/22/26/39/269222639.db2.gz BERQDWHZQBOMHM-GDBMZVCRSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccnn1C ZINC000278641897 269238499 /nfs/dbraw/zinc/23/84/99/269238499.db2.gz HOXFPTWNTQRZPY-AEFFLSMTSA-N 2 2 328.460 2.362 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccnn1C ZINC000278641897 269238500 /nfs/dbraw/zinc/23/85/00/269238500.db2.gz HOXFPTWNTQRZPY-AEFFLSMTSA-N 2 2 328.460 2.362 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000272342393 274167650 /nfs/dbraw/zinc/16/76/50/274167650.db2.gz PLXLMOBCWQOFGW-INIZCTEOSA-N 2 2 339.443 2.358 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000423407668 297108305 /nfs/dbraw/zinc/10/83/05/297108305.db2.gz WGGBHSCYPJGDTA-XFKAJCMBSA-N 2 2 337.895 2.299 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000423407668 297108306 /nfs/dbraw/zinc/10/83/06/297108306.db2.gz WGGBHSCYPJGDTA-XFKAJCMBSA-N 2 2 337.895 2.299 10 0 EEAELP COc1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388759 311405528 /nfs/dbraw/zinc/40/55/28/311405528.db2.gz MQBKPSUJAJTUQU-UHFFFAOYSA-N 2 2 331.460 2.442 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000333295316 312126078 /nfs/dbraw/zinc/12/60/78/312126078.db2.gz RZKAWECGELMOBK-FCEWJHQRSA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000333295316 312126080 /nfs/dbraw/zinc/12/60/80/312126080.db2.gz RZKAWECGELMOBK-FCEWJHQRSA-N 2 2 345.491 2.377 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000334076492 312237064 /nfs/dbraw/zinc/23/70/64/312237064.db2.gz YMFIANKETUEOLI-NEPJUHHUSA-N 2 2 347.385 2.117 10 0 EEAELP CNC(=O)C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352704520 312386189 /nfs/dbraw/zinc/38/61/89/312386189.db2.gz JYQDMXCCXLIUCW-HNNXBMFYSA-N 2 2 332.473 2.172 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416935912 313365875 /nfs/dbraw/zinc/36/58/75/313365875.db2.gz HGRZQYFJNIRDOG-OLZOCXBDSA-N 2 2 333.823 2.024 10 0 EEAELP C[C@H]([NH3+])c1ccc(CNC(=O)NCCc2cn3ccccc3[nH+]2)cc1 ZINC000416955227 313371007 /nfs/dbraw/zinc/37/10/07/313371007.db2.gz WXKDVXOZKVQJFH-AWEZNQCLSA-N 2 2 337.427 2.396 10 0 EEAELP [NH3+]CC[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000417067950 313412395 /nfs/dbraw/zinc/41/23/95/313412395.db2.gz ITRWEWMKFPHTPH-QGZVFWFLSA-N 2 2 341.459 2.202 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)([NH+]2CCCCC2)CC1 ZINC000421487384 314108999 /nfs/dbraw/zinc/10/89/99/314108999.db2.gz YQLPBUZSHVEAGW-KSZLIROESA-N 2 2 333.520 2.489 10 0 EEAELP O=S(=O)(c1ccccc1Cn1cc[nH+]c1)N1CCc2c[nH+]ccc21 ZINC000443019351 315223508 /nfs/dbraw/zinc/22/35/08/315223508.db2.gz FHGBAFAKQFHZRH-UHFFFAOYSA-N 2 2 340.408 2.078 10 0 EEAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527636008 317234307 /nfs/dbraw/zinc/23/43/07/317234307.db2.gz IRXIQWBJCAAPLV-SZMVWBNQSA-N 2 2 329.492 2.013 10 0 EEAELP Cc1nc(C)c([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000541229712 318094494 /nfs/dbraw/zinc/09/44/94/318094494.db2.gz QFEYCAUIQVAKQC-JSGCOSHPSA-N 2 2 347.488 2.335 10 0 EEAELP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542159845 318122874 /nfs/dbraw/zinc/12/28/74/318122874.db2.gz JUUZFKDBIRDESY-GDBMZVCRSA-N 2 2 341.459 2.219 10 0 EEAELP CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000543086128 318150760 /nfs/dbraw/zinc/15/07/60/318150760.db2.gz ARXOULYLWWHVTB-ZBFHGGJFSA-N 2 2 344.463 2.039 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1CC(F)(F)F ZINC000564459170 319086578 /nfs/dbraw/zinc/08/65/78/319086578.db2.gz OFNVLGYCPSERTA-ZDUSSCGKSA-N 2 2 327.394 2.401 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1CC(F)(F)F ZINC000564459170 319086581 /nfs/dbraw/zinc/08/65/81/319086581.db2.gz OFNVLGYCPSERTA-ZDUSSCGKSA-N 2 2 327.394 2.401 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCc2c[nH+]cn2C1 ZINC000566291766 319269892 /nfs/dbraw/zinc/26/98/92/319269892.db2.gz LGSZOKYMEBWGPQ-SFHVURJKSA-N 2 2 338.455 2.358 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000568007351 319444183 /nfs/dbraw/zinc/44/41/83/319444183.db2.gz INVNIVFCAGDZPF-UHFFFAOYSA-N 2 2 332.423 2.416 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000569725834 319603422 /nfs/dbraw/zinc/60/34/22/319603422.db2.gz GMJPEWDEVIYDSS-UHFFFAOYSA-N 2 2 332.423 2.416 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000577762188 320274443 /nfs/dbraw/zinc/27/44/43/320274443.db2.gz FUCBGHVCBQPEON-DOMZBBRYSA-N 2 2 325.403 2.026 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000577762188 320274444 /nfs/dbraw/zinc/27/44/44/320274444.db2.gz FUCBGHVCBQPEON-DOMZBBRYSA-N 2 2 325.403 2.026 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578374636 320310785 /nfs/dbraw/zinc/31/07/85/320310785.db2.gz FGLPDEPIYHMZOK-KRWDZBQOSA-N 2 2 326.444 2.258 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578374636 320310787 /nfs/dbraw/zinc/31/07/87/320310787.db2.gz FGLPDEPIYHMZOK-KRWDZBQOSA-N 2 2 326.444 2.258 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@@H]3CCO[C@H]3c3cnn(C)c3)c[nH+]c12 ZINC000084247947 323319737 /nfs/dbraw/zinc/31/97/37/323319737.db2.gz MOLORGCCXPMHKE-WMLDXEAASA-N 2 2 325.416 2.244 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578978933 323748457 /nfs/dbraw/zinc/74/84/57/323748457.db2.gz RSVBPLZGPBSNMD-BETUJISGSA-N 2 2 347.850 2.129 10 0 EEAELP CCOC(=O)CCc1cc(NCCC2CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000601109558 449695399 /nfs/dbraw/zinc/69/53/99/449695399.db2.gz RWVSTHDXVJJORO-UHFFFAOYSA-N 2 2 334.464 2.425 10 0 EEAELP O[C@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCCCC1 ZINC000623858220 450616671 /nfs/dbraw/zinc/61/66/71/450616671.db2.gz FYCOQCBGQMAWNY-CQSZACIVSA-N 2 2 325.416 2.141 10 0 EEAELP O=C1COc2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2N1 ZINC000327875232 465054714 /nfs/dbraw/zinc/05/47/14/465054714.db2.gz RRWAWQSJZMXCCP-UHFFFAOYSA-N 2 2 338.411 2.171 10 0 EEAELP CS(=O)(=O)c1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000336878818 465072757 /nfs/dbraw/zinc/07/27/57/465072757.db2.gz IYIQFIUDZAOWQG-UHFFFAOYSA-N 2 2 349.456 2.072 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358428973 465117321 /nfs/dbraw/zinc/11/73/21/465117321.db2.gz FGEINTOZMJTLOG-GJZGRUSLSA-N 2 2 333.501 2.397 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000358428973 465117325 /nfs/dbraw/zinc/11/73/25/465117325.db2.gz FGEINTOZMJTLOG-GJZGRUSLSA-N 2 2 333.501 2.397 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000337301391 465294132 /nfs/dbraw/zinc/29/41/32/465294132.db2.gz RIBOZWSPDOMJPD-SFHVURJKSA-N 2 2 342.487 2.446 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000337301391 465294134 /nfs/dbraw/zinc/29/41/34/465294134.db2.gz RIBOZWSPDOMJPD-SFHVURJKSA-N 2 2 342.487 2.446 10 0 EEAELP COc1ccc(F)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000351699530 465299916 /nfs/dbraw/zinc/29/99/16/465299916.db2.gz BHJCFGQSBNWUBG-KXBFYZLASA-N 2 2 335.467 2.292 10 0 EEAELP COc1ccc(F)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000351699530 465299922 /nfs/dbraw/zinc/29/99/22/465299922.db2.gz BHJCFGQSBNWUBG-KXBFYZLASA-N 2 2 335.467 2.292 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000045185458 462566517 /nfs/dbraw/zinc/56/65/17/462566517.db2.gz CTFJYWNPAGSTLQ-QGZVFWFLSA-N 2 2 341.459 2.486 10 0 EEAELP C[C@@H]1CCC[N@H+](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000046378981 462674499 /nfs/dbraw/zinc/67/44/99/462674499.db2.gz ULFRMMVIOXOVIL-MRXNPFEDSA-N 2 2 345.491 2.082 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000046378981 462674506 /nfs/dbraw/zinc/67/45/06/462674506.db2.gz ULFRMMVIOXOVIL-MRXNPFEDSA-N 2 2 345.491 2.082 10 0 EEAELP O=C(Cc1cccc(F)c1)N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000119314249 462887895 /nfs/dbraw/zinc/88/78/95/462887895.db2.gz PNALVZDVXNCNMP-UHFFFAOYSA-N 2 2 347.478 2.388 10 0 EEAELP O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000119314249 462887901 /nfs/dbraw/zinc/88/79/01/462887901.db2.gz PNALVZDVXNCNMP-UHFFFAOYSA-N 2 2 347.478 2.388 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000579244049 468331745 /nfs/dbraw/zinc/33/17/45/468331745.db2.gz RCBRIGBBLRHLLK-VQBCORBOSA-N 2 2 342.487 2.294 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000579244049 468331750 /nfs/dbraw/zinc/33/17/50/468331750.db2.gz RCBRIGBBLRHLLK-VQBCORBOSA-N 2 2 342.487 2.294 10 0 EEAELP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000121551051 463155572 /nfs/dbraw/zinc/15/55/72/463155572.db2.gz LRUGENQBBPKQHV-IBGZPJMESA-N 2 2 327.472 2.348 10 0 EEAELP Cc1ccc(N2CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC2)[nH+]c1 ZINC000159143790 463271436 /nfs/dbraw/zinc/27/14/36/463271436.db2.gz XRXOYQJZCRCEFX-UHFFFAOYSA-N 2 2 347.507 2.340 10 0 EEAELP c1ccc(-n2nnnc2CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000536371726 468349688 /nfs/dbraw/zinc/34/96/88/468349688.db2.gz RLNWWISVRNJZJQ-UHFFFAOYSA-N 2 2 349.442 2.176 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000123457785 463343808 /nfs/dbraw/zinc/34/38/08/463343808.db2.gz YMVNGOXJCXOKNL-HOCLYGCPSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[N@H+]1C ZINC000123457785 463343811 /nfs/dbraw/zinc/34/38/11/463343811.db2.gz YMVNGOXJCXOKNL-HOCLYGCPSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[NH+]1C ZINC000123457785 463343815 /nfs/dbraw/zinc/34/38/15/463343815.db2.gz YMVNGOXJCXOKNL-HOCLYGCPSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[NH+]1C ZINC000123457785 463343818 /nfs/dbraw/zinc/34/38/18/463343818.db2.gz YMVNGOXJCXOKNL-HOCLYGCPSA-N 2 2 347.459 2.201 10 0 EEAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000150757031 463421451 /nfs/dbraw/zinc/42/14/51/463421451.db2.gz OPRMXLCJJUDMIZ-DLBZAZTESA-N 2 2 333.480 2.035 10 0 EEAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000150757031 463421455 /nfs/dbraw/zinc/42/14/55/463421455.db2.gz OPRMXLCJJUDMIZ-DLBZAZTESA-N 2 2 333.480 2.035 10 0 EEAELP CCc1nnc2n1C[C@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000071871885 463449489 /nfs/dbraw/zinc/44/94/89/463449489.db2.gz RMRLWTHNVLXUEP-INIZCTEOSA-N 2 2 336.443 2.378 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000105875652 463484736 /nfs/dbraw/zinc/48/47/36/463484736.db2.gz UOGCXNAXZADCAZ-UHFFFAOYSA-N 2 2 330.407 2.452 10 0 EEAELP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897303 463492293 /nfs/dbraw/zinc/49/22/93/463492293.db2.gz AXRKHMDSALCAHT-HOTGVXAUSA-N 2 2 336.480 2.014 10 0 EEAELP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897303 463492299 /nfs/dbraw/zinc/49/22/99/463492299.db2.gz AXRKHMDSALCAHT-HOTGVXAUSA-N 2 2 336.480 2.014 10 0 EEAELP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897719 463493864 /nfs/dbraw/zinc/49/38/64/463493864.db2.gz LCQSGLVXBXVERE-INIZCTEOSA-N 2 2 336.480 2.015 10 0 EEAELP CCCCOCCNC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897719 463493866 /nfs/dbraw/zinc/49/38/66/463493866.db2.gz LCQSGLVXBXVERE-INIZCTEOSA-N 2 2 336.480 2.015 10 0 EEAELP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151276220 463505863 /nfs/dbraw/zinc/50/58/63/463505863.db2.gz ATEGVCAGQYZPAF-DLBZAZTESA-N 2 2 334.460 2.345 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000185039428 463740948 /nfs/dbraw/zinc/74/09/48/463740948.db2.gz MOQYVVIHNGFPAR-DYVFJYSZSA-N 2 2 326.404 2.355 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000185039428 463740955 /nfs/dbraw/zinc/74/09/55/463740955.db2.gz MOQYVVIHNGFPAR-DYVFJYSZSA-N 2 2 326.404 2.355 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000257365259 463789079 /nfs/dbraw/zinc/78/90/79/463789079.db2.gz RXDQCCKJMNCKLJ-FUHWJXTLSA-N 2 2 326.444 2.316 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000257365259 463789083 /nfs/dbraw/zinc/78/90/83/463789083.db2.gz RXDQCCKJMNCKLJ-FUHWJXTLSA-N 2 2 326.444 2.316 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172060449 463979381 /nfs/dbraw/zinc/97/93/81/463979381.db2.gz XVSJSHVTAKDSEH-LSDHHAIUSA-N 2 2 326.444 2.294 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000172060449 463979386 /nfs/dbraw/zinc/97/93/86/463979386.db2.gz XVSJSHVTAKDSEH-LSDHHAIUSA-N 2 2 326.444 2.294 10 0 EEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000279145499 464042919 /nfs/dbraw/zinc/04/29/19/464042919.db2.gz GRZOXNHWEWLTGP-BBWFWOEESA-N 2 2 330.476 2.017 10 0 EEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000279145499 464042923 /nfs/dbraw/zinc/04/29/23/464042923.db2.gz GRZOXNHWEWLTGP-BBWFWOEESA-N 2 2 330.476 2.017 10 0 EEAELP C[NH2+]CCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000237216046 464285880 /nfs/dbraw/zinc/28/58/80/464285880.db2.gz ZYHZHYSBWYVTRA-ZDUSSCGKSA-N 2 2 325.403 2.045 10 0 EEAELP C[NH2+]CCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000237216046 464285885 /nfs/dbraw/zinc/28/58/85/464285885.db2.gz ZYHZHYSBWYVTRA-ZDUSSCGKSA-N 2 2 325.403 2.045 10 0 EEAELP CCO[C@H]1C[C@@]([NH2+]CCCCn2cc[nH+]c2C)(C(=O)OC)C1(C)C ZINC000189849747 464556847 /nfs/dbraw/zinc/55/68/47/464556847.db2.gz HKLWYVYASQDCQU-MAUKXSAKSA-N 2 2 337.464 2.308 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190485369 464656319 /nfs/dbraw/zinc/65/63/19/464656319.db2.gz RVUZUTRFSVHCMN-INIZCTEOSA-N 2 2 343.427 2.415 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190485369 464656326 /nfs/dbraw/zinc/65/63/26/464656326.db2.gz RVUZUTRFSVHCMN-INIZCTEOSA-N 2 2 343.427 2.415 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000190485369 464656331 /nfs/dbraw/zinc/65/63/31/464656331.db2.gz RVUZUTRFSVHCMN-INIZCTEOSA-N 2 2 343.427 2.415 10 0 EEAELP O=c1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)occ1O ZINC000282175389 464723148 /nfs/dbraw/zinc/72/31/48/464723148.db2.gz VKMJNKLIZOJNED-CYBMUJFWSA-N 2 2 329.400 2.258 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cn2c1 ZINC000266745618 464807492 /nfs/dbraw/zinc/80/74/92/464807492.db2.gz NAUFCPWGJYDKAN-GDBMZVCRSA-N 2 2 329.448 2.267 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)cn2c1 ZINC000266745618 464807494 /nfs/dbraw/zinc/80/74/94/464807494.db2.gz NAUFCPWGJYDKAN-GDBMZVCRSA-N 2 2 329.448 2.267 10 0 EEAELP CN1C(=O)C[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000192157245 464877057 /nfs/dbraw/zinc/87/70/57/464877057.db2.gz HNZFEECSDNZEHB-DOTOQJQBSA-N 2 2 332.835 2.488 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000252736389 464989070 /nfs/dbraw/zinc/98/90/70/464989070.db2.gz URHFLPNPDGSGNF-XHSDSOJGSA-N 2 2 325.403 2.166 10 0 EEAELP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000337404067 465348396 /nfs/dbraw/zinc/34/83/96/465348396.db2.gz SKRNDGKOEWPFSE-LMMKCTJWSA-N 2 2 329.492 2.157 10 0 EEAELP CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348294382 465536710 /nfs/dbraw/zinc/53/67/10/465536710.db2.gz VJZMXMYTVLDKPM-XJKSGUPXSA-N 2 2 330.432 2.400 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCC34CCC4)CC2)c1 ZINC000348320942 465549431 /nfs/dbraw/zinc/54/94/31/465549431.db2.gz MDBHFNUGOKIUCT-UHFFFAOYSA-N 2 2 327.472 2.268 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCC34CCC4)CC2)c1 ZINC000348320942 465549434 /nfs/dbraw/zinc/54/94/34/465549434.db2.gz MDBHFNUGOKIUCT-UHFFFAOYSA-N 2 2 327.472 2.268 10 0 EEAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000371177543 465633184 /nfs/dbraw/zinc/63/31/84/465633184.db2.gz TZAXQUSJGUFMBQ-HNNXBMFYSA-N 2 2 333.480 2.277 10 0 EEAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000371177543 465633189 /nfs/dbraw/zinc/63/31/89/465633189.db2.gz TZAXQUSJGUFMBQ-HNNXBMFYSA-N 2 2 333.480 2.277 10 0 EEAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000371177543 465633194 /nfs/dbraw/zinc/63/31/94/465633194.db2.gz TZAXQUSJGUFMBQ-HNNXBMFYSA-N 2 2 333.480 2.277 10 0 EEAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000371177543 465633203 /nfs/dbraw/zinc/63/32/03/465633203.db2.gz TZAXQUSJGUFMBQ-HNNXBMFYSA-N 2 2 333.480 2.277 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348646065 465726645 /nfs/dbraw/zinc/72/66/45/465726645.db2.gz RULSYTBEVBOWPN-UXPWSPDFSA-N 2 2 325.456 2.268 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348646065 465726653 /nfs/dbraw/zinc/72/66/53/465726653.db2.gz RULSYTBEVBOWPN-UXPWSPDFSA-N 2 2 325.456 2.268 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000597135637 468454985 /nfs/dbraw/zinc/45/49/85/468454985.db2.gz PXFIPJZXHLOORJ-AWEZNQCLSA-N 2 2 340.851 2.063 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000597135637 468454989 /nfs/dbraw/zinc/45/49/89/468454989.db2.gz PXFIPJZXHLOORJ-AWEZNQCLSA-N 2 2 340.851 2.063 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000366858507 465976982 /nfs/dbraw/zinc/97/69/82/465976982.db2.gz PJSNAUYGQRQESS-MRXNPFEDSA-N 2 2 326.444 2.465 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC000366858507 465976988 /nfs/dbraw/zinc/97/69/88/465976988.db2.gz PJSNAUYGQRQESS-MRXNPFEDSA-N 2 2 326.444 2.465 10 0 EEAELP COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3cc[nH+]cc3OC)CC2)o1 ZINC000361518119 466065076 /nfs/dbraw/zinc/06/50/76/466065076.db2.gz HTWNNPAQZSNQDG-CYBMUJFWSA-N 2 2 345.399 2.353 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340465111 466107813 /nfs/dbraw/zinc/10/78/13/466107813.db2.gz QEBQKQQXLDCHAA-GXTWGEPZSA-N 2 2 342.281 2.073 10 0 EEAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000340465111 466107823 /nfs/dbraw/zinc/10/78/23/466107823.db2.gz QEBQKQQXLDCHAA-GXTWGEPZSA-N 2 2 342.281 2.073 10 0 EEAELP COc1ccccc1-c1ncc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000580145627 468471358 /nfs/dbraw/zinc/47/13/58/468471358.db2.gz ONQMEJZPBJQGSL-OAHLLOKOSA-N 2 2 335.411 2.453 10 0 EEAELP c1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)sc1C1OCCO1 ZINC000367300654 466250802 /nfs/dbraw/zinc/25/08/02/466250802.db2.gz NNOMCDBLOJRJTK-UHFFFAOYSA-N 2 2 337.489 2.496 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000594995238 468739868 /nfs/dbraw/zinc/73/98/68/468739868.db2.gz HFANPXABJLGHJU-RISCZKNCSA-N 2 2 344.240 2.373 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(I)cc1 ZINC000594995238 468739871 /nfs/dbraw/zinc/73/98/71/468739871.db2.gz HFANPXABJLGHJU-RISCZKNCSA-N 2 2 344.240 2.373 10 0 EEAELP CC[C@H](N[C@@H]1C[N@H+](C)C[C@H]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000361981878 466458381 /nfs/dbraw/zinc/45/83/81/466458381.db2.gz PJACDJLUILSOHQ-MDNKFWRPSA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000361981878 466458388 /nfs/dbraw/zinc/45/83/88/466458388.db2.gz PJACDJLUILSOHQ-MDNKFWRPSA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[NH+](C)C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000361981878 466458396 /nfs/dbraw/zinc/45/83/96/466458396.db2.gz PJACDJLUILSOHQ-MDNKFWRPSA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[NH+](C)C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000361981878 466458399 /nfs/dbraw/zinc/45/83/99/466458399.db2.gz PJACDJLUILSOHQ-MDNKFWRPSA-N 2 2 331.504 2.206 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000313283854 466539035 /nfs/dbraw/zinc/53/90/35/466539035.db2.gz QJTFNIZWEGQZDD-CYBMUJFWSA-N 2 2 344.242 2.299 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000341126000 466602535 /nfs/dbraw/zinc/60/25/35/466602535.db2.gz MTUVYNZVGNPWIX-UHFFFAOYSA-N 2 2 334.386 2.252 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341126000 466602540 /nfs/dbraw/zinc/60/25/40/466602540.db2.gz MTUVYNZVGNPWIX-UHFFFAOYSA-N 2 2 334.386 2.252 10 0 EEAELP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000324583665 466647923 /nfs/dbraw/zinc/64/79/23/466647923.db2.gz BNSJTNIAGIHPFG-WMZOPIPTSA-N 2 2 333.451 2.214 10 0 EEAELP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000324583665 466647924 /nfs/dbraw/zinc/64/79/24/466647924.db2.gz BNSJTNIAGIHPFG-WMZOPIPTSA-N 2 2 333.451 2.214 10 0 EEAELP CC(C)(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422698617 466680968 /nfs/dbraw/zinc/68/09/68/466680968.db2.gz ADUZBOZXRBQYSR-PMACEKPBSA-N 2 2 343.515 2.180 10 0 EEAELP CC(C)(CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422698617 466680973 /nfs/dbraw/zinc/68/09/73/466680973.db2.gz ADUZBOZXRBQYSR-PMACEKPBSA-N 2 2 343.515 2.180 10 0 EEAELP CC(C)(CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422698617 466680978 /nfs/dbraw/zinc/68/09/78/466680978.db2.gz ADUZBOZXRBQYSR-PMACEKPBSA-N 2 2 343.515 2.180 10 0 EEAELP C[NH+]1CCC(C)(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000374726733 466726723 /nfs/dbraw/zinc/72/67/23/466726723.db2.gz PZLYQFQKEAQMGJ-UHFFFAOYSA-N 2 2 345.491 2.082 10 0 EEAELP Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)on2)cn1 ZINC000375083228 466799317 /nfs/dbraw/zinc/79/93/17/466799317.db2.gz BEHMHYRKCHXXNR-OAHLLOKOSA-N 2 2 325.372 2.123 10 0 EEAELP Cn1cc(-c2cc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)on2)cn1 ZINC000375083228 466799322 /nfs/dbraw/zinc/79/93/22/466799322.db2.gz BEHMHYRKCHXXNR-OAHLLOKOSA-N 2 2 325.372 2.123 10 0 EEAELP O=C1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C1CC1 ZINC000411330555 466808912 /nfs/dbraw/zinc/80/89/12/466808912.db2.gz LSIJBEHCSWRYLY-UHFFFAOYSA-N 2 2 327.472 2.479 10 0 EEAELP O=C1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCN1C1CC1 ZINC000411330555 466808916 /nfs/dbraw/zinc/80/89/16/466808916.db2.gz LSIJBEHCSWRYLY-UHFFFAOYSA-N 2 2 327.472 2.479 10 0 EEAELP C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376284293 466903154 /nfs/dbraw/zinc/90/31/54/466903154.db2.gz YKPHDWAOLKMXHQ-DLBZAZTESA-N 2 2 349.519 2.011 10 0 EEAELP C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000376284293 466903156 /nfs/dbraw/zinc/90/31/56/466903156.db2.gz YKPHDWAOLKMXHQ-DLBZAZTESA-N 2 2 349.519 2.011 10 0 EEAELP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377756178 467133490 /nfs/dbraw/zinc/13/34/90/467133490.db2.gz PIWVDURINBJJIQ-CHWSQXEVSA-N 2 2 329.400 2.170 10 0 EEAELP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377756178 467133492 /nfs/dbraw/zinc/13/34/92/467133492.db2.gz PIWVDURINBJJIQ-CHWSQXEVSA-N 2 2 329.400 2.170 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372499 467382480 /nfs/dbraw/zinc/38/24/80/467382480.db2.gz MKVKKFNWTFGTFI-XLIONFOSSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372499 467382482 /nfs/dbraw/zinc/38/24/82/467382482.db2.gz MKVKKFNWTFGTFI-XLIONFOSSA-N 2 2 329.488 2.118 10 0 EEAELP O=C1[C@@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420391142 467391604 /nfs/dbraw/zinc/39/16/04/467391604.db2.gz YQVNQQGBSZROIC-HKUYNNGSSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420391142 467391609 /nfs/dbraw/zinc/39/16/09/467391609.db2.gz YQVNQQGBSZROIC-HKUYNNGSSA-N 2 2 331.435 2.397 10 0 EEAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415164517 467506711 /nfs/dbraw/zinc/50/67/11/467506711.db2.gz YOARZLFEMQBCBN-LSDHHAIUSA-N 2 2 343.431 2.082 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1CCCO ZINC000449389513 467635789 /nfs/dbraw/zinc/63/57/89/467635789.db2.gz SLNZHYIKLJNDIW-QGZVFWFLSA-N 2 2 328.460 2.024 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1CCCO ZINC000449389513 467635791 /nfs/dbraw/zinc/63/57/91/467635791.db2.gz SLNZHYIKLJNDIW-QGZVFWFLSA-N 2 2 328.460 2.024 10 0 EEAELP CCc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@@H+]3CCO)CC2)n1 ZINC000449391093 467636560 /nfs/dbraw/zinc/63/65/60/467636560.db2.gz HRPASYORXNUFNT-UYSNPLJNSA-N 2 2 336.480 2.095 10 0 EEAELP CCc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@H+]3CCO)CC2)n1 ZINC000449391093 467636562 /nfs/dbraw/zinc/63/65/62/467636562.db2.gz HRPASYORXNUFNT-UYSNPLJNSA-N 2 2 336.480 2.095 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528730659 467742402 /nfs/dbraw/zinc/74/24/02/467742402.db2.gz ZDMITFKONIPQIL-SFHVURJKSA-N 2 2 336.451 2.354 10 0 EEAELP CCc1ccc([C@@H](C[NH+]2CCOCC2)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216100 467964038 /nfs/dbraw/zinc/96/40/38/467964038.db2.gz MNJVHDWZYXOACU-WOJBJXKFSA-N 2 2 343.515 2.497 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](CO)C1 ZINC000570770597 468687380 /nfs/dbraw/zinc/68/73/80/468687380.db2.gz WITFYCODSHBYMI-KGLIPLIRSA-N 2 2 328.416 2.108 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](CO)C1 ZINC000570770597 468687383 /nfs/dbraw/zinc/68/73/83/468687383.db2.gz WITFYCODSHBYMI-KGLIPLIRSA-N 2 2 328.416 2.108 10 0 EEAELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NC(=O)Nc1ccccc1 ZINC000610583344 469011773 /nfs/dbraw/zinc/01/17/73/469011773.db2.gz MRPJOTVPIANPSZ-UHFFFAOYSA-N 2 2 341.415 2.328 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C(F)(F)F)CC3)CC2)CC1 ZINC000586817824 469073879 /nfs/dbraw/zinc/07/38/79/469073879.db2.gz XYMJSENPUWHXFW-UHFFFAOYSA-N 2 2 333.398 2.004 10 0 EEAELP CS[C@H]1CN(c2nc3ccccc3n3c[nH+]cc23)C[C@@H]1[NH+](C)C ZINC000599059944 469103807 /nfs/dbraw/zinc/10/38/07/469103807.db2.gz QNTHUOWQUTVSQU-HOTGVXAUSA-N 2 2 327.457 2.364 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)CC1 ZINC000616381544 469436016 /nfs/dbraw/zinc/43/60/16/469436016.db2.gz UHHRVYJRHPILBD-QRQLOZEOSA-N 2 2 333.520 2.441 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)CC1 ZINC000616381544 469436019 /nfs/dbraw/zinc/43/60/19/469436019.db2.gz UHHRVYJRHPILBD-QRQLOZEOSA-N 2 2 333.520 2.441 10 0 EEAELP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629511903 469569750 /nfs/dbraw/zinc/56/97/50/469569750.db2.gz CBQOVABEWBTLNQ-RISCZKNCSA-N 2 2 326.366 2.487 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584370 469584855 /nfs/dbraw/zinc/58/48/55/469584855.db2.gz PQKKVKGNJCERFV-ZMYBRWDISA-N 2 2 333.451 2.104 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584370 469584860 /nfs/dbraw/zinc/58/48/60/469584860.db2.gz PQKKVKGNJCERFV-ZMYBRWDISA-N 2 2 333.451 2.104 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCN(c3cccc(Cl)c3)C1=O)C2 ZINC000629585269 469585064 /nfs/dbraw/zinc/58/50/64/469585064.db2.gz PDAMGTMUKAHEOM-RYQLBKOJSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCN(c3cccc(Cl)c3)C1=O)C2 ZINC000629585269 469585068 /nfs/dbraw/zinc/58/50/68/469585068.db2.gz PDAMGTMUKAHEOM-RYQLBKOJSA-N 2 2 333.863 2.377 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)CC2 ZINC000626598524 469658913 /nfs/dbraw/zinc/65/89/13/469658913.db2.gz YUQAAIYDLLVLRG-MRXNPFEDSA-N 2 2 326.444 2.497 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607307886 469680914 /nfs/dbraw/zinc/68/09/14/469680914.db2.gz LSVNDCGQCRYXDE-KRWDZBQOSA-N 2 2 336.395 2.174 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607307886 469680919 /nfs/dbraw/zinc/68/09/19/469680919.db2.gz LSVNDCGQCRYXDE-KRWDZBQOSA-N 2 2 336.395 2.174 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000617765634 469796054 /nfs/dbraw/zinc/79/60/54/469796054.db2.gz KKPBMEJHGKEHPD-UHFFFAOYSA-N 2 2 348.422 2.094 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccc(F)cc2)on1 ZINC000617765634 469796058 /nfs/dbraw/zinc/79/60/58/469796058.db2.gz KKPBMEJHGKEHPD-UHFFFAOYSA-N 2 2 348.422 2.094 10 0 EEAELP CCOc1cc(Cl)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765082 469796255 /nfs/dbraw/zinc/79/62/55/469796255.db2.gz SSNNQOICWYXWBG-UHFFFAOYSA-N 2 2 341.883 2.352 10 0 EEAELP CCOc1cc(Cl)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765082 469796257 /nfs/dbraw/zinc/79/62/57/469796257.db2.gz SSNNQOICWYXWBG-UHFFFAOYSA-N 2 2 341.883 2.352 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000617766875 469797136 /nfs/dbraw/zinc/79/71/36/469797136.db2.gz XMIDPCHBIUHIJG-FPOVZHCZSA-N 2 2 343.515 2.280 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000617766875 469797140 /nfs/dbraw/zinc/79/71/40/469797140.db2.gz XMIDPCHBIUHIJG-FPOVZHCZSA-N 2 2 343.515 2.280 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSc1ccccc1Cl ZINC000617768682 469798981 /nfs/dbraw/zinc/79/89/81/469798981.db2.gz PUQPDPMQFSRWQG-UHFFFAOYSA-N 2 2 343.924 2.432 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSc1ccccc1Cl ZINC000617768682 469798988 /nfs/dbraw/zinc/79/89/88/469798988.db2.gz PUQPDPMQFSRWQG-UHFFFAOYSA-N 2 2 343.924 2.432 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000627163128 469829729 /nfs/dbraw/zinc/82/97/29/469829729.db2.gz AXLITJSDNFIEAY-VNQPRFMTSA-N 2 2 336.505 2.277 10 0 EEAELP Cn1c2cc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)ccc2oc1=O ZINC000624202456 469873265 /nfs/dbraw/zinc/87/32/65/469873265.db2.gz BBLZOEZMPUGQPC-UHFFFAOYSA-N 2 2 338.411 2.285 10 0 EEAELP COCC(C)(C)[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000624296535 469899281 /nfs/dbraw/zinc/89/92/81/469899281.db2.gz ZBOPFRHTDBFLHX-UHFFFAOYSA-N 2 2 339.443 2.430 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620772916 469913161 /nfs/dbraw/zinc/91/31/61/469913161.db2.gz QLHSYDWMUGFDRO-KRWDZBQOSA-N 2 2 338.455 2.153 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000620772916 469913167 /nfs/dbraw/zinc/91/31/67/469913167.db2.gz QLHSYDWMUGFDRO-KRWDZBQOSA-N 2 2 338.455 2.153 10 0 EEAELP Cc1[nH+]c2ccc(C(=O)N3CCO[C@H](CCC[NH+](C)C)C3)cc2n1C ZINC000620977514 469966076 /nfs/dbraw/zinc/96/60/76/469966076.db2.gz YLVKWYKVPSCWOX-MRXNPFEDSA-N 2 2 344.459 2.065 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000624547628 469974184 /nfs/dbraw/zinc/97/41/84/469974184.db2.gz PBEGJGUFKRYNFJ-HOCLYGCPSA-N 2 2 332.492 2.381 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)CC2 ZINC000624547628 469974189 /nfs/dbraw/zinc/97/41/89/469974189.db2.gz PBEGJGUFKRYNFJ-HOCLYGCPSA-N 2 2 332.492 2.381 10 0 EEAELP O=C(C[C@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[NH+](CCCF)CC1 ZINC000627961937 470034172 /nfs/dbraw/zinc/03/41/72/470034172.db2.gz SSTUWIZZWUZTTJ-KRWDZBQOSA-N 2 2 344.434 2.436 10 0 EEAELP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(C)no3)cc2)CC1 ZINC000631047523 470055513 /nfs/dbraw/zinc/05/55/13/470055513.db2.gz QFYGRWRQEWLMPQ-UHFFFAOYSA-N 2 2 328.460 2.410 10 0 EEAELP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C)no3)cc2)CC1 ZINC000631047523 470055515 /nfs/dbraw/zinc/05/55/15/470055515.db2.gz QFYGRWRQEWLMPQ-UHFFFAOYSA-N 2 2 328.460 2.410 10 0 EEAELP Cc1nc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)nc(N)[nH+]1 ZINC000631060269 470059564 /nfs/dbraw/zinc/05/95/64/470059564.db2.gz VPRWUXLNOUKXSY-ZDUSSCGKSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)nc(N)[nH+]1 ZINC000631060269 470059568 /nfs/dbraw/zinc/05/95/68/470059568.db2.gz VPRWUXLNOUKXSY-ZDUSSCGKSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)[nH+]1 ZINC000631060269 470059572 /nfs/dbraw/zinc/05/95/72/470059572.db2.gz VPRWUXLNOUKXSY-ZDUSSCGKSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)[nH+]1 ZINC000631060269 470059575 /nfs/dbraw/zinc/05/95/75/470059575.db2.gz VPRWUXLNOUKXSY-ZDUSSCGKSA-N 2 2 326.448 2.171 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(OC(F)F)cc1 ZINC000631885436 470189188 /nfs/dbraw/zinc/18/91/88/470189188.db2.gz AFGYSANIJXVYTB-IUODEOHRSA-N 2 2 339.386 2.300 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(OC(F)F)cc1 ZINC000631885436 470189189 /nfs/dbraw/zinc/18/91/89/470189189.db2.gz AFGYSANIJXVYTB-IUODEOHRSA-N 2 2 339.386 2.300 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC1(c2ccccc2)CCC1 ZINC000631886463 470189497 /nfs/dbraw/zinc/18/94/97/470189497.db2.gz HTALGPVKKWQIRC-WMZOPIPTSA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NC1(c2ccccc2)CCC1 ZINC000631886463 470189498 /nfs/dbraw/zinc/18/94/98/470189498.db2.gz HTALGPVKKWQIRC-WMZOPIPTSA-N 2 2 327.472 2.256 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccc(F)cc1 ZINC000631888023 470189669 /nfs/dbraw/zinc/18/96/69/470189669.db2.gz SKMOLMGVJIYDGW-RHSMWYFYSA-N 2 2 340.464 2.063 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccc(F)cc1 ZINC000631888023 470189670 /nfs/dbraw/zinc/18/96/70/470189670.db2.gz SKMOLMGVJIYDGW-RHSMWYFYSA-N 2 2 340.464 2.063 10 0 EEAELP FC(F)[C@H]1CC[NH+](CCC[N@@H+]2CCO[C@@H](C(F)F)CC2)CCO1 ZINC000634756729 470297633 /nfs/dbraw/zinc/29/76/33/470297633.db2.gz COSXZWFWCSIBDN-CHWSQXEVSA-N 2 2 342.377 2.089 10 0 EEAELP FC(F)[C@H]1CC[NH+](CCC[N@H+]2CCO[C@@H](C(F)F)CC2)CCO1 ZINC000634756729 470297636 /nfs/dbraw/zinc/29/76/36/470297636.db2.gz COSXZWFWCSIBDN-CHWSQXEVSA-N 2 2 342.377 2.089 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000648714087 470322219 /nfs/dbraw/zinc/32/22/19/470322219.db2.gz SKQCGUFFBFJTSW-HNNXBMFYSA-N 2 2 327.432 2.140 10 0 EEAELP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645667254 470375761 /nfs/dbraw/zinc/37/57/61/470375761.db2.gz YJSGFWSEVMOOTB-DZGCQCFKSA-N 2 2 346.466 2.088 10 0 EEAELP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645667254 470375766 /nfs/dbraw/zinc/37/57/66/470375766.db2.gz YJSGFWSEVMOOTB-DZGCQCFKSA-N 2 2 346.466 2.088 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644548099 470979942 /nfs/dbraw/zinc/97/99/42/470979942.db2.gz OSWVHTWPQRYMPQ-CHWSQXEVSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644548099 470979948 /nfs/dbraw/zinc/97/99/48/470979948.db2.gz OSWVHTWPQRYMPQ-CHWSQXEVSA-N 2 2 333.259 2.417 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644573962 470986610 /nfs/dbraw/zinc/98/66/10/470986610.db2.gz DJLXQOHTCWWWGI-SFHVURJKSA-N 2 2 330.476 2.122 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644573962 470986614 /nfs/dbraw/zinc/98/66/14/470986614.db2.gz DJLXQOHTCWWWGI-SFHVURJKSA-N 2 2 330.476 2.122 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000644649632 471005138 /nfs/dbraw/zinc/00/51/38/471005138.db2.gz UPEMVNAWFMDNDR-RTBURBONSA-N 2 2 344.430 2.212 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000644649632 471005141 /nfs/dbraw/zinc/00/51/41/471005141.db2.gz UPEMVNAWFMDNDR-RTBURBONSA-N 2 2 344.430 2.212 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651633177 471064787 /nfs/dbraw/zinc/06/47/87/471064787.db2.gz GMJSFWSBGYXTFB-KRWDZBQOSA-N 2 2 328.460 2.430 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651633177 471064793 /nfs/dbraw/zinc/06/47/93/471064793.db2.gz GMJSFWSBGYXTFB-KRWDZBQOSA-N 2 2 328.460 2.430 10 0 EEAELP Cc1cc(NC(=O)COC2(C)C[NH2+]C2)ccc1Oc1cc[nH+]cc1 ZINC000648169065 471109049 /nfs/dbraw/zinc/10/90/49/471109049.db2.gz RARSJGNXYLPCJP-UHFFFAOYSA-N 2 2 327.384 2.499 10 0 EEAELP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000641215600 471246415 /nfs/dbraw/zinc/24/64/15/471246415.db2.gz BANUIZJXEGWASZ-OAGGEKHMSA-N 2 2 345.491 2.378 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C[C@H]1C[NH3+] ZINC000652357248 471278142 /nfs/dbraw/zinc/27/81/42/471278142.db2.gz FIMPNIDAGYRUEG-XJKCOSOUSA-N 2 2 337.489 2.031 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cccc(SC)c2)C[C@H]1C[NH3+] ZINC000652357248 471278145 /nfs/dbraw/zinc/27/81/45/471278145.db2.gz FIMPNIDAGYRUEG-XJKCOSOUSA-N 2 2 337.489 2.031 10 0 EEAELP CC(C)C[NH2+]C1(CO)CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000660696760 471447796 /nfs/dbraw/zinc/44/77/96/471447796.db2.gz PGEJOKSFNDNBKD-UHFFFAOYSA-N 2 2 342.487 2.445 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)cn21 ZINC000660711039 471456622 /nfs/dbraw/zinc/45/66/22/471456622.db2.gz ZNYBWYGQMXCGBO-OAHLLOKOSA-N 2 2 329.448 2.315 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)cn21 ZINC000660711039 471456624 /nfs/dbraw/zinc/45/66/24/471456624.db2.gz ZNYBWYGQMXCGBO-OAHLLOKOSA-N 2 2 329.448 2.315 10 0 EEAELP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000666758387 471525439 /nfs/dbraw/zinc/52/54/39/471525439.db2.gz PVYLDOYTTJNKGC-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000666758387 471525443 /nfs/dbraw/zinc/52/54/43/471525443.db2.gz PVYLDOYTTJNKGC-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP Cc1[nH+]cn(CCCCc2noc(CCc3c[nH+]cn3C)n2)c1C ZINC000656038733 471576293 /nfs/dbraw/zinc/57/62/93/471576293.db2.gz BCKKGNYEQWBWPK-UHFFFAOYSA-N 2 2 328.420 2.425 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659502037 471659362 /nfs/dbraw/zinc/65/93/62/471659362.db2.gz SIKLDEHDHJKYMY-DJIMGWMZSA-N 2 2 341.459 2.409 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)cc(F)c1F ZINC000667136177 471665643 /nfs/dbraw/zinc/66/56/43/471665643.db2.gz XLRNQCLOUYCNEE-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)cc(F)c1F ZINC000667136177 471665651 /nfs/dbraw/zinc/66/56/51/471665651.db2.gz XLRNQCLOUYCNEE-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829255 471754571 /nfs/dbraw/zinc/75/45/71/471754571.db2.gz GVXMUKPBYRNMOJ-ZWKOTPCHSA-N 2 2 342.487 2.266 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCCN1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829255 471754576 /nfs/dbraw/zinc/75/45/76/471754576.db2.gz GVXMUKPBYRNMOJ-ZWKOTPCHSA-N 2 2 342.487 2.266 10 0 EEAELP Cc1cccc(NC[C@]2(CO)COCC[N@@H+]2Cc2ccccc2)[nH+]1 ZINC000664533435 471783672 /nfs/dbraw/zinc/78/36/72/471783672.db2.gz AVOIBPZZXYKLNI-IBGZPJMESA-N 2 2 327.428 2.065 10 0 EEAELP Cc1cccc(NC[C@]2(CO)COCC[N@H+]2Cc2ccccc2)[nH+]1 ZINC000664533435 471783676 /nfs/dbraw/zinc/78/36/76/471783676.db2.gz AVOIBPZZXYKLNI-IBGZPJMESA-N 2 2 327.428 2.065 10 0 EEAELP COc1cc(C)c(C)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000667549238 471818250 /nfs/dbraw/zinc/81/82/50/471818250.db2.gz GLBMFPJZJWVTCY-UHFFFAOYSA-N 2 2 348.491 2.460 10 0 EEAELP C[C@@H]1C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)C1O ZINC000661621760 471829387 /nfs/dbraw/zinc/82/93/87/471829387.db2.gz OSVHYXXNZLHSKF-QZTJIDSGSA-N 2 2 331.504 2.147 10 0 EEAELP CC[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1CC(F)F ZINC000667679805 471864347 /nfs/dbraw/zinc/86/43/47/471864347.db2.gz OYQJCHPAPJLVLK-AWEZNQCLSA-N 2 2 335.402 2.429 10 0 EEAELP CC[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1CC(F)F ZINC000667679805 471864350 /nfs/dbraw/zinc/86/43/50/471864350.db2.gz OYQJCHPAPJLVLK-AWEZNQCLSA-N 2 2 335.402 2.429 10 0 EEAELP C[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683413 471865404 /nfs/dbraw/zinc/86/54/04/471865404.db2.gz PEDYSIVFIXSYJI-QFBILLFUSA-N 2 2 345.535 2.145 10 0 EEAELP C[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000667683413 471865410 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CC(C)CCC[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001269416460 1184251591 /nfs/dbraw/zinc/25/15/91/1184251591.db2.gz ULPBCOFBTLRAEA-QGZVFWFLSA-N 2 2 347.507 2.465 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001269877756 1184688803 /nfs/dbraw/zinc/68/88/03/1184688803.db2.gz SKEVTHJGRHJQHL-GOSISDBHSA-N 2 2 344.503 2.464 10 0 EEAELP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCOCC1CCC1)c1c[nH+]c[nH]1 ZINC001270293170 1184993114 /nfs/dbraw/zinc/99/31/14/1184993114.db2.gz JKNBCBDLZOOIOP-MRXNPFEDSA-N 2 2 348.491 2.085 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC[C@H]1CCCO1 ZINC001270436030 1185098080 /nfs/dbraw/zinc/09/80/80/1185098080.db2.gz JNMIPJSNUPVPRN-UKRRQHHQSA-N 2 2 330.432 2.088 10 0 EEAELP CCc1nc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)cs1 ZINC001482339351 1185437010 /nfs/dbraw/zinc/43/70/10/1185437010.db2.gz UZEGISFKVIAFRI-KBPBESRZSA-N 2 2 349.504 2.490 10 0 EEAELP C[C@H](C[NH2+]CCOC1CCCCCC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271227311 1186090896 /nfs/dbraw/zinc/09/08/96/1186090896.db2.gz MHSCSHYVBDCDHC-MRXNPFEDSA-N 2 2 336.480 2.059 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001271741188 1186453392 /nfs/dbraw/zinc/45/33/92/1186453392.db2.gz WGQPFWUJFKEILS-AAEUAGOBSA-N 2 2 345.274 2.488 10 0 EEAELP O=C(C=C1CCCCC1)NCC[NH+]1CCC([NH2+]CCCF)CC1 ZINC001271904499 1186605306 /nfs/dbraw/zinc/60/53/06/1186605306.db2.gz CGUOJGNBMAVUOK-UHFFFAOYSA-N 2 2 325.472 2.407 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001482571142 1186908918 /nfs/dbraw/zinc/90/89/18/1186908918.db2.gz JCBDRJXXSKQWDO-KRWDZBQOSA-N 2 2 344.459 2.131 10 0 EEAELP COCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272023508 1187033744 /nfs/dbraw/zinc/03/37/44/1187033744.db2.gz ILJLAQJEBSUNTG-DLBZAZTESA-N 2 2 348.491 2.028 10 0 EEAELP COCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272023508 1187033747 /nfs/dbraw/zinc/03/37/47/1187033747.db2.gz ILJLAQJEBSUNTG-DLBZAZTESA-N 2 2 348.491 2.028 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482841922 1187761116 /nfs/dbraw/zinc/76/11/16/1187761116.db2.gz QJFPOMRUOPNMNT-IACUBPJLSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482841922 1187761117 /nfs/dbraw/zinc/76/11/17/1187761117.db2.gz QJFPOMRUOPNMNT-IACUBPJLSA-N 2 2 348.397 2.476 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)CCc1[nH+]ccn1C ZINC001482938662 1187859453 /nfs/dbraw/zinc/85/94/53/1187859453.db2.gz AASUNHBNOAOOAD-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CCOC1CC(C[NH2+]CCN(CC)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001482940203 1187864841 /nfs/dbraw/zinc/86/48/41/1187864841.db2.gz YNNKCFCHRBPSBU-UHFFFAOYSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)c2cccc(C[NH+](C)C)c2)no1 ZINC001483096801 1188471545 /nfs/dbraw/zinc/47/15/45/1188471545.db2.gz FFGIKPHAAXMVKA-SNAWJCMRSA-N 2 2 342.443 2.120 10 0 EEAELP C[C@@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC001483100965 1188478085 /nfs/dbraw/zinc/47/80/85/1188478085.db2.gz RHRCWKDMNPDWNL-YWVDXFKGSA-N 2 2 334.370 2.185 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]Cc2ccnn2C)c(C)[nH+]1 ZINC001272920833 1193605610 /nfs/dbraw/zinc/60/56/10/1193605610.db2.gz ODZSHRFZGBYGFZ-CYBMUJFWSA-N 2 2 329.448 2.039 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2[nH+]ccn2C)c1 ZINC001409390866 1189617170 /nfs/dbraw/zinc/61/71/70/1189617170.db2.gz UULLHXCXGWHGDN-JKSUJKDBSA-N 2 2 328.460 2.344 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001485907507 1193636014 /nfs/dbraw/zinc/63/60/14/1193636014.db2.gz YQJPEAJYTZUVJC-HZPDHXFCSA-N 2 2 344.459 2.480 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCc1ccccc1 ZINC001409573344 1190055272 /nfs/dbraw/zinc/05/52/72/1190055272.db2.gz GKMVVYSYTMFQJX-AEFFLSMTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCc1ccccc1 ZINC001409573344 1190055277 /nfs/dbraw/zinc/05/52/77/1190055277.db2.gz GKMVVYSYTMFQJX-AEFFLSMTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC001409632821 1190133258 /nfs/dbraw/zinc/13/32/58/1190133258.db2.gz RPFZBLGXSQEGQG-OLZOCXBDSA-N 2 2 327.419 2.414 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC001409632821 1190133259 /nfs/dbraw/zinc/13/32/59/1190133259.db2.gz RPFZBLGXSQEGQG-OLZOCXBDSA-N 2 2 327.419 2.414 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCCOc2ccccc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001486088366 1193678001 /nfs/dbraw/zinc/67/80/01/1193678001.db2.gz HFZRDTZWEHRJJM-CRAIPNDOSA-N 2 2 342.443 2.000 10 0 EEAELP O=C(N[C@@H](C[NH2+]CCOC1CCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001483574810 1190564599 /nfs/dbraw/zinc/56/45/99/1190564599.db2.gz GDUCFEPSMFMODH-INIZCTEOSA-N 2 2 342.443 2.001 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nccs1)[NH+](C)C ZINC001409823746 1190654762 /nfs/dbraw/zinc/65/47/62/1190654762.db2.gz LUHAREFYQZYCED-HUUCEWRRSA-N 2 2 338.521 2.344 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1Cc1nccs1)[NH+](C)C ZINC001409823746 1190654763 /nfs/dbraw/zinc/65/47/63/1190654763.db2.gz LUHAREFYQZYCED-HUUCEWRRSA-N 2 2 338.521 2.344 10 0 EEAELP CC1(NC(=O)Cc2c[nH]c[nH+]2)CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001483972971 1191137228 /nfs/dbraw/zinc/13/72/28/1191137228.db2.gz PZXPXTPRMBMCFC-OAGGEKHMSA-N 2 2 330.476 2.359 10 0 EEAELP C[C@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001484100813 1191210818 /nfs/dbraw/zinc/21/08/18/1191210818.db2.gz OWGFOKURMDVAIW-FXAWDEMLSA-N 2 2 344.503 2.464 10 0 EEAELP CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484199221 1191270272 /nfs/dbraw/zinc/27/02/72/1191270272.db2.gz QGFVDLOLFLQZQV-AWEZNQCLSA-N 2 2 342.434 2.410 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001484467654 1191372228 /nfs/dbraw/zinc/37/22/28/1191372228.db2.gz MYTQIWIGPZPNPL-ROUUACIJSA-N 2 2 348.491 2.155 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001484467654 1191372229 /nfs/dbraw/zinc/37/22/29/1191372229.db2.gz MYTQIWIGPZPNPL-ROUUACIJSA-N 2 2 348.491 2.155 10 0 EEAELP CC[N@@H+]1CCc2c(CNC(=O)CCCn3cc[nH+]c3)cccc2C1 ZINC001484612325 1191437041 /nfs/dbraw/zinc/43/70/41/1191437041.db2.gz XYTJVIVZWXPMRE-UHFFFAOYSA-N 2 2 326.444 2.358 10 0 EEAELP CC[N@H+]1CCc2c(CNC(=O)CCCn3cc[nH+]c3)cccc2C1 ZINC001484612325 1191437042 /nfs/dbraw/zinc/43/70/42/1191437042.db2.gz XYTJVIVZWXPMRE-UHFFFAOYSA-N 2 2 326.444 2.358 10 0 EEAELP COCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484728017 1191487575 /nfs/dbraw/zinc/48/75/75/1191487575.db2.gz XPESGAVQOJBLPQ-MRXNPFEDSA-N 2 2 336.480 2.048 10 0 EEAELP COCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484728017 1191487577 /nfs/dbraw/zinc/48/75/77/1191487577.db2.gz XPESGAVQOJBLPQ-MRXNPFEDSA-N 2 2 336.480 2.048 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC1CC(C[NH2+]CCc2ccccc2)C1 ZINC001485108784 1191657025 /nfs/dbraw/zinc/65/70/25/1191657025.db2.gz JKIWMZFFWZSANL-UHFFFAOYSA-N 2 2 340.471 2.080 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001485216073 1191688967 /nfs/dbraw/zinc/68/89/67/1191688967.db2.gz OOQLHTCNFSONQB-QWRGUYRKSA-N 2 2 340.880 2.361 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485355400 1191760471 /nfs/dbraw/zinc/76/04/71/1191760471.db2.gz GBFZGAGAHGHYJW-KGLIPLIRSA-N 2 2 330.432 2.159 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485355400 1191760473 /nfs/dbraw/zinc/76/04/73/1191760473.db2.gz GBFZGAGAHGHYJW-KGLIPLIRSA-N 2 2 330.432 2.159 10 0 EEAELP C[C@@H]1CC[C@H](C[NH2+]CC2(NC(=O)CCc3c[nH]c[nH+]3)CCCCC2)O1 ZINC001485449296 1191788871 /nfs/dbraw/zinc/78/88/71/1191788871.db2.gz KMSDCJHWBRHQEJ-NVXWUHKLSA-N 2 2 348.491 2.319 10 0 EEAELP C[C@@H]1CC[C@H](C[NH2+]CC2(NC(=O)CCc3c[nH+]c[nH]3)CCCCC2)O1 ZINC001485449296 1191788873 /nfs/dbraw/zinc/78/88/73/1191788873.db2.gz KMSDCJHWBRHQEJ-NVXWUHKLSA-N 2 2 348.491 2.319 10 0 EEAELP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001486243184 1193769641 /nfs/dbraw/zinc/76/96/41/1193769641.db2.gz FHAOSSPZFYLZFV-KRWDZBQOSA-N 2 2 340.471 2.412 10 0 EEAELP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC001486250217 1193777073 /nfs/dbraw/zinc/77/70/73/1193777073.db2.gz PGCJKSYEKKEAJN-YOCVDRLZSA-N 2 2 338.455 2.423 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001486424159 1193937489 /nfs/dbraw/zinc/93/74/89/1193937489.db2.gz YWGCBXATOSUGOP-INIZCTEOSA-N 2 2 347.463 2.063 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001409950480 1194195787 /nfs/dbraw/zinc/19/57/87/1194195787.db2.gz TWJZTUODQGWFLV-AWEZNQCLSA-N 2 2 344.459 2.106 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001409950480 1194195788 /nfs/dbraw/zinc/19/57/88/1194195788.db2.gz TWJZTUODQGWFLV-AWEZNQCLSA-N 2 2 344.459 2.106 10 0 EEAELP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001273107502 1194390753 /nfs/dbraw/zinc/39/07/53/1194390753.db2.gz ZQMOANZAHBHOML-QGZUEGPWSA-N 2 2 330.476 2.430 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2C[N@@H+](Cc3ccc(F)cn3)CC2(C)C)CCC1 ZINC001410016900 1197265955 /nfs/dbraw/zinc/26/59/55/1197265955.db2.gz KUVJJYAKHGPIHU-INIZCTEOSA-N 2 2 348.466 2.032 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH+](CCF)CC1(C)C)c1ccccc1 ZINC001410024830 1197435944 /nfs/dbraw/zinc/43/59/44/1197435944.db2.gz RKDKVRDZCBZWAU-IRXDYDNUSA-N 2 2 335.467 2.476 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[NH+](CCF)CC1(C)C)c1ccccc1 ZINC001410024830 1197435947 /nfs/dbraw/zinc/43/59/47/1197435947.db2.gz RKDKVRDZCBZWAU-IRXDYDNUSA-N 2 2 335.467 2.476 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@H+](CCF)CC1(C)C)c1ccccc1 ZINC001410024830 1197435950 /nfs/dbraw/zinc/43/59/50/1197435950.db2.gz RKDKVRDZCBZWAU-IRXDYDNUSA-N 2 2 335.467 2.476 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@@H+](CCF)CC1(C)C)c1ccccc1 ZINC001410024830 1197435954 /nfs/dbraw/zinc/43/59/54/1197435954.db2.gz RKDKVRDZCBZWAU-IRXDYDNUSA-N 2 2 335.467 2.476 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411862 1201510879 /nfs/dbraw/zinc/51/08/79/1201510879.db2.gz XNZHHHDYDDKHBP-YZGWKJHDSA-N 2 2 345.531 2.332 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411862 1201510881 /nfs/dbraw/zinc/51/08/81/1201510881.db2.gz XNZHHHDYDDKHBP-YZGWKJHDSA-N 2 2 345.531 2.332 10 0 EEAELP COc1cc(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc(OC)c1 ZINC000866703642 1201584371 /nfs/dbraw/zinc/58/43/71/1201584371.db2.gz NEEGHNVTPHFURO-LJQANCHMSA-N 2 2 349.475 2.339 10 0 EEAELP COc1cc(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc(OC)c1 ZINC000866703642 1201584373 /nfs/dbraw/zinc/58/43/73/1201584373.db2.gz NEEGHNVTPHFURO-LJQANCHMSA-N 2 2 349.475 2.339 10 0 EEAELP Cc1cc([C@@H]([NH3+])CC(=O)NCCNc2cccc[nH+]2)cc(Cl)n1 ZINC000826554933 1204250553 /nfs/dbraw/zinc/25/05/53/1204250553.db2.gz NOHACLGUTPYARB-ZDUSSCGKSA-N 2 2 333.823 2.057 10 0 EEAELP C[C@@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC001274631590 1205105721 /nfs/dbraw/zinc/10/57/21/1205105721.db2.gz LBNLIWDORKXJPZ-YWVDXFKGSA-N 2 2 334.370 2.185 10 0 EEAELP C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001275501113 1205387046 /nfs/dbraw/zinc/38/70/46/1205387046.db2.gz ADLPKKPXLCHGNH-OLZOCXBDSA-N 2 2 326.400 2.381 10 0 EEAELP O=C(CC[N@H+]1CC[C@@H](F)C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001412442099 1205726923 /nfs/dbraw/zinc/72/69/23/1205726923.db2.gz LFEIQBUHPVJHFK-OAHLLOKOSA-N 2 2 346.406 2.335 10 0 EEAELP O=C(CC[N@@H+]1CC[C@@H](F)C1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC001412442099 1205726924 /nfs/dbraw/zinc/72/69/24/1205726924.db2.gz LFEIQBUHPVJHFK-OAHLLOKOSA-N 2 2 346.406 2.335 10 0 EEAELP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001412545973 1205759156 /nfs/dbraw/zinc/75/91/56/1205759156.db2.gz VGMDOOSPEILYGY-VOCYLRNQSA-N 2 2 329.488 2.432 10 0 EEAELP O=C(CCCc1ccccc1)NCC[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925702232 1206144924 /nfs/dbraw/zinc/14/49/24/1206144924.db2.gz BDLAJQPYYGOSEI-SFHVURJKSA-N 2 2 329.488 2.390 10 0 EEAELP CCCCOc1cccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000925969382 1206176217 /nfs/dbraw/zinc/17/62/17/1206176217.db2.gz OIEMOEJIFXRYPV-UHFFFAOYSA-N 2 2 334.464 2.410 10 0 EEAELP CC(C)(C)C[C@@H](NC(=O)NCC[NH+]1CCC([NH3+])CC1)C(F)(F)F ZINC000926093963 1206191103 /nfs/dbraw/zinc/19/11/03/1206191103.db2.gz VTHRKGXYSOEDMQ-GFCCVEGCSA-N 2 2 338.418 2.076 10 0 EEAELP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310283 1206623627 /nfs/dbraw/zinc/62/36/27/1206623627.db2.gz XUMYKHUFZVNCJG-YSIASYRMSA-N 2 2 332.488 2.317 10 0 EEAELP Cc1cccc(C)c1OC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310283 1206623628 /nfs/dbraw/zinc/62/36/28/1206623628.db2.gz XUMYKHUFZVNCJG-YSIASYRMSA-N 2 2 332.488 2.317 10 0 EEAELP Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310283 1206623629 /nfs/dbraw/zinc/62/36/29/1206623629.db2.gz XUMYKHUFZVNCJG-YSIASYRMSA-N 2 2 332.488 2.317 10 0 EEAELP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310283 1206623630 /nfs/dbraw/zinc/62/36/30/1206623630.db2.gz XUMYKHUFZVNCJG-YSIASYRMSA-N 2 2 332.488 2.317 10 0 EEAELP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(Br)n1 ZINC000720624375 1217186288 /nfs/dbraw/zinc/18/62/88/1217186288.db2.gz JCDAUHODNDORPU-FRRDWIJNSA-N 2 2 327.270 2.193 10 0 EEAELP CCOCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827700463 1248656255 /nfs/dbraw/zinc/65/62/55/1248656255.db2.gz UNKVARKWMUBDEC-GOSISDBHSA-N 2 2 334.460 2.090 10 0 EEAELP CCOCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000827700463 1248656271 /nfs/dbraw/zinc/65/62/71/1248656271.db2.gz UNKVARKWMUBDEC-GOSISDBHSA-N 2 2 334.460 2.090 10 0 EEAELP FC(F)[C@H]1C[NH+](CCCCC[N@@H+]2CCO[C@@H](C(F)F)C2)CCO1 ZINC000801559400 1235835144 /nfs/dbraw/zinc/83/51/44/1235835144.db2.gz IGIPSDHWXTYXSW-CHWSQXEVSA-N 2 2 342.377 2.089 10 0 EEAELP FC(F)[C@H]1C[NH+](CCCCC[N@H+]2CCO[C@@H](C(F)F)C2)CCO1 ZINC000801559400 1235835153 /nfs/dbraw/zinc/83/51/53/1235835153.db2.gz IGIPSDHWXTYXSW-CHWSQXEVSA-N 2 2 342.377 2.089 10 0 EEAELP CC[NH+](C)[C@H](C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1)c1ccccc1 ZINC000802138829 1236980606 /nfs/dbraw/zinc/98/06/06/1236980606.db2.gz PVFHALNLOJENGE-MSOLQXFVSA-N 2 2 334.460 2.332 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)OC[C@H]1C[NH+](C(C)C)CCO1)c1ccccc1 ZINC000802138829 1236980596 /nfs/dbraw/zinc/98/05/96/1236980596.db2.gz PVFHALNLOJENGE-MSOLQXFVSA-N 2 2 334.460 2.332 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)OC[C@H]1C[NH+](C(C)C)CCO1)c1ccccc1 ZINC000802138829 1236980600 /nfs/dbraw/zinc/98/06/00/1236980600.db2.gz PVFHALNLOJENGE-MSOLQXFVSA-N 2 2 334.460 2.332 10 0 EEAELP CC[NH+](C)[C@H](C(=O)OC[C@H]1C[N@H+](C(C)C)CCO1)c1ccccc1 ZINC000802138829 1236980611 /nfs/dbraw/zinc/98/06/11/1236980611.db2.gz PVFHALNLOJENGE-MSOLQXFVSA-N 2 2 334.460 2.332 10 0 EEAELP C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902811774 1238597283 /nfs/dbraw/zinc/59/72/83/1238597283.db2.gz GMKFOMQJIYHZOM-DLBZAZTESA-N 2 2 328.460 2.491 10 0 EEAELP COCCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902958998 1239194287 /nfs/dbraw/zinc/19/42/87/1239194287.db2.gz AHCWGPWDOTWTFG-ATZDWAIDSA-N 2 2 345.443 2.343 10 0 EEAELP c1ccc(N2CCC([NH2+][C@@H]3CCCN4CCSC[C@@H]34)CC2)[nH+]c1 ZINC000903271482 1240150155 /nfs/dbraw/zinc/15/01/55/1240150155.db2.gz MBTIQXUNRVSZAA-SJORKVTESA-N 2 2 332.517 2.220 10 0 EEAELP CCOC(=O)N1CCC([NH2+][C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000903378466 1240345976 /nfs/dbraw/zinc/34/59/76/1240345976.db2.gz CIHHCNXTSMLKMI-QGZVFWFLSA-N 2 2 334.464 2.285 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000903431148 1240453259 /nfs/dbraw/zinc/45/32/59/1240453259.db2.gz PEDDQLMCRMYONE-AEFFLSMTSA-N 2 2 337.467 2.453 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001491257679 1258856137 /nfs/dbraw/zinc/85/61/37/1258856137.db2.gz BMRHCYMPSGLEOT-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267893706 1276786576 /nfs/dbraw/zinc/78/65/76/1276786576.db2.gz PHUFPNCBDAZTSB-INIZCTEOSA-N 2 2 341.459 2.074 10 0 EEAELP CN(CCC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)Cn1cc[nH+]c1 ZINC001273599685 1280867540 /nfs/dbraw/zinc/86/75/40/1280867540.db2.gz UMLFTCRHEPVHSE-CYBMUJFWSA-N 2 2 347.290 2.247 10 0 EEAELP CN(CCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)Cn1cc[nH+]c1 ZINC001273599685 1280867546 /nfs/dbraw/zinc/86/75/46/1280867546.db2.gz UMLFTCRHEPVHSE-CYBMUJFWSA-N 2 2 347.290 2.247 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)s1)C(=O)Cn1cc[nH+]c1C(C)C ZINC001273637524 1281960514 /nfs/dbraw/zinc/96/05/14/1281960514.db2.gz MXOVMTXWMPQYSQ-UHFFFAOYSA-N 2 2 349.504 2.410 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001490739118 1291651949 /nfs/dbraw/zinc/65/19/49/1291651949.db2.gz ZBKCKYAHBXJCCN-SFHVURJKSA-N 2 2 344.503 2.417 10 0 EEAELP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc[nH]n3)C2)ccn1 ZINC000856560425 1293567446 /nfs/dbraw/zinc/56/74/46/1293567446.db2.gz LWKOZRXIDMVFPD-SFHVURJKSA-N 2 2 329.448 2.298 10 0 EEAELP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cc[nH]n3)C2)ccn1 ZINC000856560425 1293567453 /nfs/dbraw/zinc/56/74/53/1293567453.db2.gz LWKOZRXIDMVFPD-SFHVURJKSA-N 2 2 329.448 2.298 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cc[nH]n3)C2)ccn1 ZINC000856560425 1293567459 /nfs/dbraw/zinc/56/74/59/1293567459.db2.gz LWKOZRXIDMVFPD-SFHVURJKSA-N 2 2 329.448 2.298 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cc[nH]n3)C2)ccn1 ZINC000856560425 1293567470 /nfs/dbraw/zinc/56/74/70/1293567470.db2.gz LWKOZRXIDMVFPD-SFHVURJKSA-N 2 2 329.448 2.298 10 0 EEAELP Cc1c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccnc1F ZINC000862367902 1295810816 /nfs/dbraw/zinc/81/08/16/1295810816.db2.gz YYYOZAQMOSYFLB-JWTNVVGKSA-N 2 2 332.467 2.272 10 0 EEAELP Cc1c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccnc1F ZINC000862367902 1295810819 /nfs/dbraw/zinc/81/08/19/1295810819.db2.gz YYYOZAQMOSYFLB-JWTNVVGKSA-N 2 2 332.467 2.272 10 0 EEAELP CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C(\C)C[NH+]1CCOCC1 ZINC001141452341 1315158251 /nfs/dbraw/zinc/15/82/51/1315158251.db2.gz GPZCFAKGUYIKCP-NBVRZTHBSA-N 2 2 339.524 2.091 10 0 EEAELP COc1ncncc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000842672828 1315751629 /nfs/dbraw/zinc/75/16/29/1315751629.db2.gz DGNBFAJYDFPEPI-QGZVFWFLSA-N 2 2 326.444 2.487 10 0 EEAELP COc1ncncc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000842672828 1315751632 /nfs/dbraw/zinc/75/16/32/1315751632.db2.gz DGNBFAJYDFPEPI-QGZVFWFLSA-N 2 2 326.444 2.487 10 0 EEAELP O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1Cl ZINC000843063232 1315832914 /nfs/dbraw/zinc/83/29/14/1315832914.db2.gz XTLFIOLMAXFHCI-BBRMVZONSA-N 2 2 347.286 2.463 10 0 EEAELP C[C@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001278519725 1317126628 /nfs/dbraw/zinc/12/66/28/1317126628.db2.gz WGROYCIMMYSTPL-ZJZZUIQCSA-N 2 2 336.867 2.026 10 0 EEAELP CCOCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278563586 1317242796 /nfs/dbraw/zinc/24/27/96/1317242796.db2.gz ATHNZDFEPXNVGG-WBVHZDCISA-N 2 2 344.459 2.167 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H](C[NH2+]CCC2CC2)C1 ZINC001264553593 1322730834 /nfs/dbraw/zinc/73/08/34/1322730834.db2.gz SFDAUXQFNMXISZ-NXHRZFHOSA-N 2 2 344.503 2.462 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCc1cccs1 ZINC001265004514 1322851467 /nfs/dbraw/zinc/85/14/67/1322851467.db2.gz QOBQXUOCNHHUQT-HNNXBMFYSA-N 2 2 346.500 2.188 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCc1cccs1 ZINC001265004514 1322851472 /nfs/dbraw/zinc/85/14/72/1322851472.db2.gz QOBQXUOCNHHUQT-HNNXBMFYSA-N 2 2 346.500 2.188 10 0 EEAELP O=C(NCCC[N@@H+](C/C(Cl)=C\Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001265181060 1322971644 /nfs/dbraw/zinc/97/16/44/1322971644.db2.gz MKXMPSFIIZFNGT-JLHYYAGUSA-N 2 2 346.302 2.372 10 0 EEAELP O=C(NCCC[N@H+](C/C(Cl)=C\Cl)C1CC1)C12CC[NH+](CC1)C2 ZINC001265181060 1322971646 /nfs/dbraw/zinc/97/16/46/1322971646.db2.gz MKXMPSFIIZFNGT-JLHYYAGUSA-N 2 2 346.302 2.372 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCCOC(C)C)C3)ccn12 ZINC001265431207 1323151381 /nfs/dbraw/zinc/15/13/81/1323151381.db2.gz ZHDOHHPXMCNCAP-KRWDZBQOSA-N 2 2 344.459 2.262 10 0 EEAELP CC(C)(C)CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265436857 1323154934 /nfs/dbraw/zinc/15/49/34/1323154934.db2.gz PVYIRTFIMUNKIQ-HOTGVXAUSA-N 2 2 332.492 2.462 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001280096748 1324083977 /nfs/dbraw/zinc/08/39/77/1324083977.db2.gz WQBDOWBDSMOAPR-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP CC/C=C/CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001280406216 1324204117 /nfs/dbraw/zinc/20/41/17/1324204117.db2.gz KZVPZOSXZLGWTQ-HQYUYXFKSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C/CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001280406216 1324204121 /nfs/dbraw/zinc/20/41/21/1324204121.db2.gz KZVPZOSXZLGWTQ-HQYUYXFKSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001280406216 1324204124 /nfs/dbraw/zinc/20/41/24/1324204124.db2.gz KZVPZOSXZLGWTQ-HQYUYXFKSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001280406216 1324204130 /nfs/dbraw/zinc/20/41/30/1324204130.db2.gz KZVPZOSXZLGWTQ-HQYUYXFKSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)COCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001281430455 1325084210 /nfs/dbraw/zinc/08/42/10/1325084210.db2.gz ONASFWRZZGRWAY-JKSUJKDBSA-N 2 2 344.459 2.057 10 0 EEAELP CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001283351342 1326024847 /nfs/dbraw/zinc/02/48/47/1326024847.db2.gz PKSBCQAFGNCVDT-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)CN1C(=O)Cn1cc[nH+]c1 ZINC001284031618 1326371964 /nfs/dbraw/zinc/37/19/64/1326371964.db2.gz KUIBHNNVQITNPF-GOEBONIOSA-N 2 2 332.473 2.156 10 0 EEAELP 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C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCC1=CCCCC1 ZINC001662261826 1354770810 /nfs/dbraw/zinc/77/08/10/1354770810.db2.gz GRAWKZUQQUBAEF-NVXWUHKLSA-N 2 2 330.476 2.430 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+]1CCOCC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001663508050 1354975446 /nfs/dbraw/zinc/97/54/46/1354975446.db2.gz GVIBIVMBKDAHON-INIZCTEOSA-N 2 2 342.443 2.184 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+]1CCOCC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001663508050 1354975447 /nfs/dbraw/zinc/97/54/47/1354975447.db2.gz GVIBIVMBKDAHON-INIZCTEOSA-N 2 2 342.443 2.184 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccon1 ZINC001663552978 1354985694 /nfs/dbraw/zinc/98/56/94/1354985694.db2.gz OXDCNSLNHKQUSK-KRWDZBQOSA-N 2 2 334.464 2.021 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1Cc1ccon1 ZINC001663552978 1354985696 /nfs/dbraw/zinc/98/56/96/1354985696.db2.gz OXDCNSLNHKQUSK-KRWDZBQOSA-N 2 2 334.464 2.021 10 0 EEAELP CN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)CCn1cc[nH+]c1 ZINC001664103835 1355093331 /nfs/dbraw/zinc/09/33/31/1355093331.db2.gz DIOOOWBNEBIWII-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001666468903 1355529624 /nfs/dbraw/zinc/52/96/24/1355529624.db2.gz GPHGQESAPCCBJG-QGZVFWFLSA-N 2 2 326.444 2.166 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001667290576 1355699932 /nfs/dbraw/zinc/69/99/32/1355699932.db2.gz LZFQSQGRWYYEGL-IRXDYDNUSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CCC[C@@H]3C[NH2+]CCCF)ccn12 ZINC001667729742 1355799671 /nfs/dbraw/zinc/79/96/71/1355799671.db2.gz SMDUGESYUJABBD-CVEARBPZSA-N 2 2 332.423 2.490 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1cccc(F)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC001668893670 1356038259 /nfs/dbraw/zinc/03/82/59/1356038259.db2.gz NXPRDDWIZDOSDR-AIMAZDRCSA-N 2 2 342.418 2.047 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001668935189 1356049560 /nfs/dbraw/zinc/04/95/60/1356049560.db2.gz DRWLLGDRAZRXRJ-NQHOJNORSA-N 2 2 348.397 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328.407 2.262 10 0 EEAELP C[C@@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001437387644 1089640640 /nfs/dbraw/zinc/64/06/40/1089640640.db2.gz ZKJXHYBWZCKSGG-QWHCGFSZSA-N 2 2 328.407 2.262 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)c1ncc(C)o1 ZINC001437621364 1090133583 /nfs/dbraw/zinc/13/35/83/1090133583.db2.gz WMHDMYVGCKXSBT-IMJJTQAJSA-N 2 2 336.480 2.212 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)c1ncc(C)o1 ZINC001437621364 1090133588 /nfs/dbraw/zinc/13/35/88/1090133588.db2.gz WMHDMYVGCKXSBT-IMJJTQAJSA-N 2 2 336.480 2.212 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)c1ncc(C)o1 ZINC001437621364 1090133593 /nfs/dbraw/zinc/13/35/93/1090133593.db2.gz WMHDMYVGCKXSBT-IMJJTQAJSA-N 2 2 336.480 2.212 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](C)c1ncc(C)o1 ZINC001437621364 1090133594 /nfs/dbraw/zinc/13/35/94/1090133594.db2.gz WMHDMYVGCKXSBT-IMJJTQAJSA-N 2 2 336.480 2.212 10 0 EEAELP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CC=C(Cl)Cl)C1 ZINC001437683834 1090221409 /nfs/dbraw/zinc/22/14/09/1090221409.db2.gz DXMQLAFAHBHZLD-STQMWFEESA-N 2 2 334.291 2.228 10 0 EEAELP C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+]2CC=C(Cl)Cl)C1 ZINC001437683834 1090221411 /nfs/dbraw/zinc/22/14/11/1090221411.db2.gz DXMQLAFAHBHZLD-STQMWFEESA-N 2 2 334.291 2.228 10 0 EEAELP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@@H+]2CC=C(Cl)Cl)C1 ZINC001437683834 1090221414 /nfs/dbraw/zinc/22/14/14/1090221414.db2.gz DXMQLAFAHBHZLD-STQMWFEESA-N 2 2 334.291 2.228 10 0 EEAELP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[N@H+]2CC=C(Cl)Cl)C1 ZINC001437683834 1090221416 /nfs/dbraw/zinc/22/14/16/1090221416.db2.gz DXMQLAFAHBHZLD-STQMWFEESA-N 2 2 334.291 2.228 10 0 EEAELP CCC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1cnc(C)o1 ZINC001437754443 1090323215 /nfs/dbraw/zinc/32/32/15/1090323215.db2.gz SZNCWLDEDMBPOX-UHFFFAOYSA-N 2 2 347.463 2.251 10 0 EEAELP CCC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1cnc(C)o1 ZINC001437754443 1090323223 /nfs/dbraw/zinc/32/32/23/1090323223.db2.gz SZNCWLDEDMBPOX-UHFFFAOYSA-N 2 2 347.463 2.251 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@@H](C)c2ncc(C)o2)C2CC2)CC[N@@H+]1C ZINC001437786678 1090372316 /nfs/dbraw/zinc/37/23/16/1090372316.db2.gz SWDFAAGVLRVQIN-BHYGNILZSA-N 2 2 348.491 2.355 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@@H](C)c2ncc(C)o2)C2CC2)CC[N@H+]1C ZINC001437786678 1090372322 /nfs/dbraw/zinc/37/23/22/1090372322.db2.gz SWDFAAGVLRVQIN-BHYGNILZSA-N 2 2 348.491 2.355 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[N@H+]([C@@H](C)c2ncc(C)o2)C2CC2)CC[NH+]1C ZINC001437786678 1090372328 /nfs/dbraw/zinc/37/23/28/1090372328.db2.gz SWDFAAGVLRVQIN-BHYGNILZSA-N 2 2 348.491 2.355 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+]([C@@H](C)c2ncc(C)o2)C2CC2)CC[NH+]1C ZINC001437786678 1090372338 /nfs/dbraw/zinc/37/23/38/1090372338.db2.gz SWDFAAGVLRVQIN-BHYGNILZSA-N 2 2 348.491 2.355 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001437898378 1090477192 /nfs/dbraw/zinc/47/71/92/1090477192.db2.gz BSBCVLSPJDEAJP-ZDUSSCGKSA-N 2 2 332.370 2.148 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001437898378 1090477195 /nfs/dbraw/zinc/47/71/95/1090477195.db2.gz BSBCVLSPJDEAJP-ZDUSSCGKSA-N 2 2 332.370 2.148 10 0 EEAELP CC[C@@H](C(=O)NCC1C[NH+](Cc2cccc(F)c2Cl)C1)[NH+](C)C ZINC001438144582 1090665925 /nfs/dbraw/zinc/66/59/25/1090665925.db2.gz PAZJJMBPFISWAA-HNNXBMFYSA-N 2 2 341.858 2.367 10 0 EEAELP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccon2)C1)[NH+](CC)CC ZINC001438263569 1090745433 /nfs/dbraw/zinc/74/54/33/1090745433.db2.gz GWFNMZPXHDEOCN-SJORKVTESA-N 2 2 336.480 2.218 10 0 EEAELP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccon2)C1)[NH+](CC)CC ZINC001438263569 1090745436 /nfs/dbraw/zinc/74/54/36/1090745436.db2.gz GWFNMZPXHDEOCN-SJORKVTESA-N 2 2 336.480 2.218 10 0 EEAELP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@@H](OC)C1CCC1 ZINC001438343563 1090820549 /nfs/dbraw/zinc/82/05/49/1090820549.db2.gz NUIRSQYIWJJHEI-CRAIPNDOSA-N 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CCN(CC[NH2+][C@H]1CCc2c1c(F)ccc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001439075754 1091722646 /nfs/dbraw/zinc/72/26/46/1091722646.db2.gz CIBFIHXYQFSMHB-INIZCTEOSA-N 2 2 348.397 2.356 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)c(C)o1 ZINC001439120439 1091763414 /nfs/dbraw/zinc/76/34/14/1091763414.db2.gz UOFAPAYKHYWPPF-DYVFJYSZSA-N 2 2 347.463 2.370 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cncs1 ZINC001439376646 1092116459 /nfs/dbraw/zinc/11/64/59/1092116459.db2.gz AVHWSPQSXIWVHR-HOCLYGCPSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cncs1 ZINC001439376646 1092116463 /nfs/dbraw/zinc/11/64/63/1092116463.db2.gz AVHWSPQSXIWVHR-HOCLYGCPSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cncs1 ZINC001439376646 1092116468 /nfs/dbraw/zinc/11/64/68/1092116468.db2.gz AVHWSPQSXIWVHR-HOCLYGCPSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cncs1 ZINC001439376646 1092116473 /nfs/dbraw/zinc/11/64/73/1092116473.db2.gz AVHWSPQSXIWVHR-HOCLYGCPSA-N 2 2 338.521 2.343 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)sn1 ZINC001439378165 1092120714 /nfs/dbraw/zinc/12/07/14/1092120714.db2.gz JCUXMOXYCCSVLT-AWEZNQCLSA-N 2 2 349.504 2.408 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)sn1 ZINC001439378165 1092120717 /nfs/dbraw/zinc/12/07/17/1092120717.db2.gz JCUXMOXYCCSVLT-AWEZNQCLSA-N 2 2 349.504 2.408 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@H+](C)CCc1cccs1 ZINC001439381409 1092126186 /nfs/dbraw/zinc/12/61/86/1092126186.db2.gz LBGCMEXBIPWEES-KGLIPLIRSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@@H+](C)CCc1cccs1 ZINC001439381409 1092126192 /nfs/dbraw/zinc/12/61/92/1092126192.db2.gz LBGCMEXBIPWEES-KGLIPLIRSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@H+](C)CCc1cccs1 ZINC001439381409 1092126195 /nfs/dbraw/zinc/12/61/95/1092126195.db2.gz LBGCMEXBIPWEES-KGLIPLIRSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@@H+](C)CCc1cccs1 ZINC001439381409 1092126200 /nfs/dbraw/zinc/12/62/00/1092126200.db2.gz LBGCMEXBIPWEES-KGLIPLIRSA-N 2 2 334.489 2.329 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001439487938 1092302654 /nfs/dbraw/zinc/30/26/54/1092302654.db2.gz IVGPNYLRRFACSZ-DOMZBBRYSA-N 2 2 340.418 2.180 10 0 EEAELP CCc1onc(C)c1C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439551930 1092423835 /nfs/dbraw/zinc/42/38/35/1092423835.db2.gz QRBUBAGILAFJRQ-HNNXBMFYSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1onc(C)c1C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439551930 1092423861 /nfs/dbraw/zinc/42/38/61/1092423861.db2.gz QRBUBAGILAFJRQ-HNNXBMFYSA-N 2 2 348.491 2.110 10 0 EEAELP CC[N@@H+]1CC[C@H]1C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001446325251 1092521786 /nfs/dbraw/zinc/52/17/86/1092521786.db2.gz ADPBYMADJVWHHI-MSOLQXFVSA-N 2 2 331.460 2.043 10 0 EEAELP CC[N@H+]1CC[C@H]1C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001446325251 1092521794 /nfs/dbraw/zinc/52/17/94/1092521794.db2.gz ADPBYMADJVWHHI-MSOLQXFVSA-N 2 2 331.460 2.043 10 0 EEAELP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001439843514 1092851330 /nfs/dbraw/zinc/85/13/30/1092851330.db2.gz KBNLPMCJFVYBGR-IBGZPJMESA-N 2 2 332.492 2.389 10 0 EEAELP CC(C)CC[N@H+]1CC[C@](C)(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001439843514 1092851335 /nfs/dbraw/zinc/85/13/35/1092851335.db2.gz KBNLPMCJFVYBGR-IBGZPJMESA-N 2 2 332.492 2.389 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]CC2CCCCC2)CCOCC1 ZINC001439958749 1093074317 /nfs/dbraw/zinc/07/43/17/1093074317.db2.gz OBHMBHULMBYCOZ-UHFFFAOYSA-N 2 2 348.491 2.109 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001448512624 1093538079 /nfs/dbraw/zinc/53/80/79/1093538079.db2.gz WYZIHJQIHWKBMW-JCNLHEQBSA-N 2 2 330.476 2.338 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccn2)C1)n1cc[nH+]c1 ZINC001440398975 1093581802 /nfs/dbraw/zinc/58/18/02/1093581802.db2.gz HDWPBIHSTRHDQN-YESZJQIVSA-N 2 2 341.459 2.304 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001440408646 1093602352 /nfs/dbraw/zinc/60/23/52/1093602352.db2.gz WQDHTFLDDGRKLE-BFHYXJOUSA-N 2 2 340.418 2.262 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001448670937 1093738754 /nfs/dbraw/zinc/73/87/54/1093738754.db2.gz XPDDVDHGWQVULZ-LLVKDONJSA-N 2 2 335.477 2.052 10 0 EEAELP Cc1csc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001448740842 1093812579 /nfs/dbraw/zinc/81/25/79/1093812579.db2.gz YWKSNKLLLAICAA-TZMCWYRMSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1cncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn2cc[nH+]c2)c1 ZINC001440845201 1094102584 /nfs/dbraw/zinc/10/25/84/1094102584.db2.gz BTLSIQVGJGFSKG-HZPDHXFCSA-N 2 2 329.448 2.050 10 0 EEAELP Cc1cc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001440857244 1094117774 /nfs/dbraw/zinc/11/77/74/1094117774.db2.gz XKIFVZWIKCOGMG-SJORKVTESA-N 2 2 328.460 2.491 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cscn1)C(C)(C)C ZINC001449306553 1094260955 /nfs/dbraw/zinc/26/09/55/1094260955.db2.gz GMTNGIOTANGZJC-HUUCEWRRSA-N 2 2 338.521 2.248 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1cscn1)C(C)(C)C ZINC001449306553 1094260957 /nfs/dbraw/zinc/26/09/57/1094260957.db2.gz GMTNGIOTANGZJC-HUUCEWRRSA-N 2 2 338.521 2.248 10 0 EEAELP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)Cc3[nH]cc[nH+]3)CC2)s1 ZINC001449353165 1094314071 /nfs/dbraw/zinc/31/40/71/1094314071.db2.gz PZWKRDCYCTXEKV-GFCCVEGCSA-N 2 2 347.488 2.134 10 0 EEAELP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC001441047159 1094340230 /nfs/dbraw/zinc/34/02/30/1094340230.db2.gz AKKMZQOFSMOTOY-SFHVURJKSA-N 2 2 348.466 2.177 10 0 EEAELP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1 ZINC001441047159 1094340237 /nfs/dbraw/zinc/34/02/37/1094340237.db2.gz AKKMZQOFSMOTOY-SFHVURJKSA-N 2 2 348.466 2.177 10 0 EEAELP Cc1ccc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CCn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001441290312 1094722324 /nfs/dbraw/zinc/72/23/24/1094722324.db2.gz JPXHQIVLYWPKGY-LDLYASANSA-N 2 2 338.455 2.076 10 0 EEAELP Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCn4cc[nH+]c4)[C@@H]3C2)cc1 ZINC001441290312 1094722334 /nfs/dbraw/zinc/72/23/34/1094722334.db2.gz JPXHQIVLYWPKGY-LDLYASANSA-N 2 2 338.455 2.076 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccc1 ZINC001441412493 1094993071 /nfs/dbraw/zinc/99/30/71/1094993071.db2.gz CEUKVVRLWCTTFI-GOSISDBHSA-N 2 2 328.460 2.283 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)C[C@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC001441540746 1095259569 /nfs/dbraw/zinc/25/95/69/1095259569.db2.gz QJUQVBWXFMJZRA-RDJZCZTQSA-N 2 2 349.475 2.028 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441602538 1095450277 /nfs/dbraw/zinc/45/02/77/1095450277.db2.gz ZCIHAFUDBAESPE-ZIAGYGMSSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441602538 1095450283 /nfs/dbraw/zinc/45/02/83/1095450283.db2.gz ZCIHAFUDBAESPE-ZIAGYGMSSA-N 2 2 340.418 2.216 10 0 EEAELP CCCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001441638724 1095549562 /nfs/dbraw/zinc/54/95/62/1095549562.db2.gz JQYXBSHZILOSTC-MRXNPFEDSA-N 2 2 328.460 2.472 10 0 EEAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccncc1Cl ZINC001441646784 1095592404 /nfs/dbraw/zinc/59/24/04/1095592404.db2.gz IYNOJXBPOMCXOV-LBPRGKRZSA-N 2 2 349.866 2.372 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CNC(=O)c2sccc2C[NH+](C)C)o1 ZINC001441874354 1095993592 /nfs/dbraw/zinc/99/35/92/1095993592.db2.gz RVHLTFBTFFRWFQ-LLVKDONJSA-N 2 2 336.461 2.014 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1cc(F)ccc1F ZINC001441960641 1096161512 /nfs/dbraw/zinc/16/15/12/1096161512.db2.gz QFWHLIZQMYFVMK-KCPJHIHWSA-N 2 2 348.397 2.096 10 0 EEAELP CCc1cnc(C[NH2+]C[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C)o1 ZINC001442145819 1096395300 /nfs/dbraw/zinc/39/53/00/1096395300.db2.gz PMLHFUHIOKECQR-HNNXBMFYSA-N 2 2 347.463 2.063 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H](C)C1CC[NH+](Cc2cscn2)CC1 ZINC001442215630 1096507082 /nfs/dbraw/zinc/50/70/82/1096507082.db2.gz DIQIKPRNKVSAKV-CYBMUJFWSA-N 2 2 347.488 2.065 10 0 EEAELP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001442243849 1096545929 /nfs/dbraw/zinc/54/59/29/1096545929.db2.gz QNELRBKZCOAUES-HPUBIQBYSA-N 2 2 332.492 2.461 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@H](CNC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001442881392 1097276158 /nfs/dbraw/zinc/27/61/58/1097276158.db2.gz KGTYVAFWUFPAOG-MRXNPFEDSA-N 2 2 344.434 2.359 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001442881392 1097276161 /nfs/dbraw/zinc/27/61/61/1097276161.db2.gz KGTYVAFWUFPAOG-MRXNPFEDSA-N 2 2 344.434 2.359 10 0 EEAELP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001443114532 1097529456 /nfs/dbraw/zinc/52/94/56/1097529456.db2.gz AEMZLOMMIDIMHH-DJIMGWMZSA-N 2 2 332.492 2.396 10 0 EEAELP CCc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)CC[C@H]3CCC[NH+]3C)C2)o1 ZINC001443813793 1098309568 /nfs/dbraw/zinc/30/95/68/1098309568.db2.gz MGCNOVPSRFGYOO-CVEARBPZSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)CC[C@H]3CCC[NH+]3C)C2)o1 ZINC001443813793 1098309573 /nfs/dbraw/zinc/30/95/73/1098309573.db2.gz MGCNOVPSRFGYOO-CVEARBPZSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@H](N(C)C(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001443813793 1098309580 /nfs/dbraw/zinc/30/95/80/1098309580.db2.gz MGCNOVPSRFGYOO-CVEARBPZSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@H](N(C)C(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001443813793 1098309586 /nfs/dbraw/zinc/30/95/86/1098309586.db2.gz MGCNOVPSRFGYOO-CVEARBPZSA-N 2 2 348.491 2.144 10 0 EEAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001443958424 1098478230 /nfs/dbraw/zinc/47/82/30/1098478230.db2.gz GTAKXMBJGVTUJX-GJZGRUSLSA-N 2 2 344.459 2.247 10 0 EEAELP 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ZINC001498282114 1107211020 /nfs/dbraw/zinc/21/10/20/1107211020.db2.gz SLTOIYWEQWQZMT-DYVFJYSZSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)o1 ZINC001498282114 1107211022 /nfs/dbraw/zinc/21/10/22/1107211022.db2.gz SLTOIYWEQWQZMT-DYVFJYSZSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001498397919 1107452424 /nfs/dbraw/zinc/45/24/24/1107452424.db2.gz JPHXVORZMCZCSV-GOEBONIOSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001498397919 1107452429 /nfs/dbraw/zinc/45/24/29/1107452429.db2.gz JPHXVORZMCZCSV-GOEBONIOSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001498397919 1107452436 /nfs/dbraw/zinc/45/24/36/1107452436.db2.gz JPHXVORZMCZCSV-GOEBONIOSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001498397919 1107452442 /nfs/dbraw/zinc/45/24/42/1107452442.db2.gz 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CN(CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001493743180 1108610974 /nfs/dbraw/zinc/61/09/74/1108610974.db2.gz XDZZPYKOYFCBDV-UHFFFAOYSA-N 2 2 346.397 2.369 10 0 EEAELP C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001472113707 1110543552 /nfs/dbraw/zinc/54/35/52/1110543552.db2.gz ADUHLWIETMJFLV-RDJZCZTQSA-N 2 2 332.492 2.227 10 0 EEAELP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001479244233 1110666542 /nfs/dbraw/zinc/66/65/42/1110666542.db2.gz HXSZTRXDZPEGKR-ROUUACIJSA-N 2 2 332.492 2.235 10 0 EEAELP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001479244233 1110666543 /nfs/dbraw/zinc/66/65/43/1110666543.db2.gz HXSZTRXDZPEGKR-ROUUACIJSA-N 2 2 332.492 2.235 10 0 EEAELP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001501970965 1113542872 /nfs/dbraw/zinc/54/28/72/1113542872.db2.gz MCQZGJKQTMYTPM-MJSXRHKHSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001505510089 1114029445 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348.491 2.034 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC001507395997 1115249989 /nfs/dbraw/zinc/24/99/89/1115249989.db2.gz ADSFLBWCWXQURF-DLBZAZTESA-N 2 2 348.491 2.034 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC001507395997 1115249991 /nfs/dbraw/zinc/24/99/91/1115249991.db2.gz ADSFLBWCWXQURF-DLBZAZTESA-N 2 2 348.491 2.034 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]CC2CC(F)(F)C2)CC1 ZINC001568096093 1124299995 /nfs/dbraw/zinc/29/99/95/1124299995.db2.gz LWJJPHFQQAXOCP-UHFFFAOYSA-N 2 2 340.418 2.216 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cs1 ZINC001568395503 1124466175 /nfs/dbraw/zinc/46/61/75/1124466175.db2.gz UYXBTNAKQKRLBM-INIZCTEOSA-N 2 2 347.488 2.278 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001568513577 1124574212 /nfs/dbraw/zinc/57/42/12/1124574212.db2.gz MWVPZEBPSWBQBC-AEFFLSMTSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001568513577 1124574219 /nfs/dbraw/zinc/57/42/19/1124574219.db2.gz MWVPZEBPSWBQBC-AEFFLSMTSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001568513577 1124574224 /nfs/dbraw/zinc/57/42/24/1124574224.db2.gz MWVPZEBPSWBQBC-AEFFLSMTSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001568513577 1124574226 /nfs/dbraw/zinc/57/42/26/1124574226.db2.gz MWVPZEBPSWBQBC-AEFFLSMTSA-N 2 2 348.491 2.080 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1ccc(F)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC001568873460 1124899171 /nfs/dbraw/zinc/89/91/71/1124899171.db2.gz MWUKHEHDHWDSMJ-PYKQWIPUSA-N 2 2 342.418 2.047 10 0 EEAELP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]CC[C@@H]2CCCO2)c(C)[nH+]1 ZINC001568892057 1124918738 /nfs/dbraw/zinc/91/87/38/1124918738.db2.gz RLFVJMHYMWPSDN-BDUNBXCCSA-N 2 2 331.460 2.452 10 0 EEAELP Cc1noc([C@@H](C)[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001569214304 1125170658 /nfs/dbraw/zinc/17/06/58/1125170658.db2.gz BOQLAZIXQVIIJF-LLVKDONJSA-N 2 2 342.403 2.067 10 0 EEAELP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001569216314 1125171775 /nfs/dbraw/zinc/17/17/75/1125171775.db2.gz JFMWZSKKOGVZMK-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001565867316 1125444243 /nfs/dbraw/zinc/44/42/43/1125444243.db2.gz OITBHLALAZLOAZ-ULQDDVLXSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001565874765 1125447288 /nfs/dbraw/zinc/44/72/88/1125447288.db2.gz WFWMZCGBIDISEC-QBPKDAKJSA-N 2 2 332.492 2.444 10 0 EEAELP CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090189107 539375293 /nfs/dbraw/zinc/37/52/93/539375293.db2.gz JDQNZBIOYIQPKM-MSOLQXFVSA-N 2 2 344.503 2.433 10 0 EEAELP CCNC(=O)N1CC[C@@H]([NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090189107 539375297 /nfs/dbraw/zinc/37/52/97/539375297.db2.gz JDQNZBIOYIQPKM-MSOLQXFVSA-N 2 2 344.503 2.433 10 0 EEAELP COc1cccc(C(=O)N2C[C@@H](C)[N@@H+](CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC000036124844 213071649 /nfs/dbraw/zinc/07/16/49/213071649.db2.gz GOIAEKQKIDFBIU-IYBDPMFKSA-N 2 2 333.476 2.182 10 0 EEAELP COc1cccc(C(=O)N2C[C@@H](C)[N@H+](CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC000036124844 213071652 /nfs/dbraw/zinc/07/16/52/213071652.db2.gz GOIAEKQKIDFBIU-IYBDPMFKSA-N 2 2 333.476 2.182 10 0 EEAELP CCOc1cc(CCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1OC ZINC000422749716 240205497 /nfs/dbraw/zinc/20/54/97/240205497.db2.gz APAWWMZJDWGOJL-PMACEKPBSA-N 2 2 348.487 2.383 10 0 EEAELP C[C@@H]([NH2+][C@H](C)c1c[nH+]ccc1N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422948425 240302960 /nfs/dbraw/zinc/30/29/60/240302960.db2.gz RGVDLVGAHHYKHS-CHWSQXEVSA-N 2 2 348.472 2.156 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCNC(=O)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423017041 240329896 /nfs/dbraw/zinc/32/98/96/240329896.db2.gz VIWZWEZKWFVPRW-MSOLQXFVSA-N 2 2 333.476 2.240 10 0 EEAELP CS[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000445807627 242133171 /nfs/dbraw/zinc/13/31/71/242133171.db2.gz LCUFFANUVRXKNL-ZWKOTPCHSA-N 2 2 330.501 2.409 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000459658917 245201242 /nfs/dbraw/zinc/20/12/42/245201242.db2.gz JLYLUQYWCZWXRZ-UHFFFAOYSA-N 2 2 334.221 2.163 10 0 EEAELP COc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1OC ZINC000093147563 218198479 /nfs/dbraw/zinc/19/84/79/218198479.db2.gz XTXZEPMRIMMQBC-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP COc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1OC ZINC000093147563 218198482 /nfs/dbraw/zinc/19/84/82/218198482.db2.gz XTXZEPMRIMMQBC-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000093597337 218235161 /nfs/dbraw/zinc/23/51/61/218235161.db2.gz UQJRNVYQGGJWQU-HNNXBMFYSA-N 2 2 332.444 2.384 10 0 EEAELP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000093597337 218235163 /nfs/dbraw/zinc/23/51/63/218235163.db2.gz UQJRNVYQGGJWQU-HNNXBMFYSA-N 2 2 332.444 2.384 10 0 EEAELP C[C@@H](CCn1cncn1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000095420939 218361308 /nfs/dbraw/zinc/36/13/08/218361308.db2.gz RQVHENLLUXZPRF-INIZCTEOSA-N 2 2 327.476 2.483 10 0 EEAELP C[C@@H](CCn1cncn1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000095420939 218361310 /nfs/dbraw/zinc/36/13/10/218361310.db2.gz RQVHENLLUXZPRF-INIZCTEOSA-N 2 2 327.476 2.483 10 0 EEAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195294630 256009963 /nfs/dbraw/zinc/00/99/63/256009963.db2.gz NUDBMWKHYJCQMC-QGZVFWFLSA-N 2 2 332.492 2.140 10 0 EEAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195294630 256009965 /nfs/dbraw/zinc/00/99/65/256009965.db2.gz NUDBMWKHYJCQMC-QGZVFWFLSA-N 2 2 332.492 2.140 10 0 EEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195294630 256009967 /nfs/dbraw/zinc/00/99/67/256009967.db2.gz NUDBMWKHYJCQMC-QGZVFWFLSA-N 2 2 332.492 2.140 10 0 EEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195294630 256009969 /nfs/dbraw/zinc/00/99/69/256009969.db2.gz NUDBMWKHYJCQMC-QGZVFWFLSA-N 2 2 332.492 2.140 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1CC ZINC000116768498 152062905 /nfs/dbraw/zinc/06/29/05/152062905.db2.gz LGFDZARTQWVXRV-RBUKOAKNSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1CC ZINC000116768498 152062907 /nfs/dbraw/zinc/06/29/07/152062907.db2.gz LGFDZARTQWVXRV-RBUKOAKNSA-N 2 2 347.503 2.249 10 0 EEAELP C[C@H](c1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000263184157 152397197 /nfs/dbraw/zinc/39/71/97/152397197.db2.gz HCLIKFITQJYUMY-IUODEOHRSA-N 2 2 339.386 2.016 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374200749 154001368 /nfs/dbraw/zinc/00/13/68/154001368.db2.gz RBAHNUHBCJBHPS-UHFFFAOYSA-N 2 2 344.415 2.245 10 0 EEAELP CC(C)n1nccc1CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261654283 160405571 /nfs/dbraw/zinc/40/55/71/160405571.db2.gz BGVARBPTVBLNMJ-QGZVFWFLSA-N 2 2 342.491 2.342 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245440965 160235422 /nfs/dbraw/zinc/23/54/22/160235422.db2.gz VCNVRNKMWJKPPL-WMLDXEAASA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245440965 160235425 /nfs/dbraw/zinc/23/54/25/160235425.db2.gz VCNVRNKMWJKPPL-WMLDXEAASA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245440965 160235427 /nfs/dbraw/zinc/23/54/27/160235427.db2.gz VCNVRNKMWJKPPL-WMLDXEAASA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245440965 160235429 /nfs/dbraw/zinc/23/54/29/160235429.db2.gz VCNVRNKMWJKPPL-WMLDXEAASA-N 2 2 349.475 2.304 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)CS(C)(=O)=O ZINC000246630303 160287842 /nfs/dbraw/zinc/28/78/42/160287842.db2.gz SVSYTBHDXQYSIZ-DLBZAZTESA-N 2 2 330.538 2.111 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)CS(C)(=O)=O ZINC000246630303 160287843 /nfs/dbraw/zinc/28/78/43/160287843.db2.gz SVSYTBHDXQYSIZ-DLBZAZTESA-N 2 2 330.538 2.111 10 0 EEAELP C[C@H]1CC[N@H+](Cc2cnc(N3CCOCC3)s2)C[C@H]1n1cc[nH+]c1 ZINC000247271307 160318074 /nfs/dbraw/zinc/31/80/74/160318074.db2.gz YBWOGFWFRUDDPM-GOEBONIOSA-N 2 2 347.488 2.259 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NCC1CC1 ZINC000248199111 160340694 /nfs/dbraw/zinc/34/06/94/160340694.db2.gz YAFBXURBVSVQNY-WOJBJXKFSA-N 2 2 341.499 2.499 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NCC1CC1 ZINC000248199111 160340696 /nfs/dbraw/zinc/34/06/96/160340696.db2.gz YAFBXURBVSVQNY-WOJBJXKFSA-N 2 2 341.499 2.499 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)NCC1CC1 ZINC000248199111 160340697 /nfs/dbraw/zinc/34/06/97/160340697.db2.gz YAFBXURBVSVQNY-WOJBJXKFSA-N 2 2 341.499 2.499 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)NCC1CC1 ZINC000248199111 160340699 /nfs/dbraw/zinc/34/06/99/160340699.db2.gz YAFBXURBVSVQNY-WOJBJXKFSA-N 2 2 341.499 2.499 10 0 EEAELP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342588192 161076209 /nfs/dbraw/zinc/07/62/09/161076209.db2.gz AWHJGVNUVODTSD-HNNXBMFYSA-N 2 2 326.444 2.337 10 0 EEAELP COc1ccc(COC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000345700667 161323973 /nfs/dbraw/zinc/32/39/73/161323973.db2.gz YNCQWCZLMBSRKR-KRWDZBQOSA-N 2 2 345.443 2.175 10 0 EEAELP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000353008488 162387396 /nfs/dbraw/zinc/38/73/96/162387396.db2.gz NHAUFRWFGBPKTL-UHFFFAOYSA-N 2 2 335.492 2.258 10 0 EEAELP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000368105494 166051467 /nfs/dbraw/zinc/05/14/67/166051467.db2.gz SSKWOIOSJNNUNA-PWSUYJOCSA-N 2 2 337.420 2.160 10 0 EEAELP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000368105494 166051469 /nfs/dbraw/zinc/05/14/69/166051469.db2.gz SSKWOIOSJNNUNA-PWSUYJOCSA-N 2 2 337.420 2.160 10 0 EEAELP COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000123281761 222248998 /nfs/dbraw/zinc/24/89/98/222248998.db2.gz MKCQBIQHVGXEJM-ZFWWWQNUSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000123281761 222249002 /nfs/dbraw/zinc/24/90/02/222249002.db2.gz MKCQBIQHVGXEJM-ZFWWWQNUSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000123281761 222249004 /nfs/dbraw/zinc/24/90/04/222249004.db2.gz MKCQBIQHVGXEJM-ZFWWWQNUSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000123281761 222249008 /nfs/dbraw/zinc/24/90/08/222249008.db2.gz MKCQBIQHVGXEJM-ZFWWWQNUSA-N 2 2 335.448 2.057 10 0 EEAELP C[C@H](CCNc1nc2c(cnn2C)c(N)[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000278182467 269213870 /nfs/dbraw/zinc/21/38/70/269213870.db2.gz DDYVZTXPRBDTMF-CYBMUJFWSA-N 2 2 339.447 2.268 10 0 EEAELP C[C@H](CCNc1nc2c(cnn2C)c(N)[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000278182467 269213872 /nfs/dbraw/zinc/21/38/72/269213872.db2.gz DDYVZTXPRBDTMF-CYBMUJFWSA-N 2 2 339.447 2.268 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188978890 274035357 /nfs/dbraw/zinc/03/53/57/274035357.db2.gz QFFNZOHPXUHFQO-QOWREQOWSA-N 2 2 343.805 2.041 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188978890 274035358 /nfs/dbraw/zinc/03/53/58/274035358.db2.gz QFFNZOHPXUHFQO-QOWREQOWSA-N 2 2 343.805 2.041 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292043924 275367169 /nfs/dbraw/zinc/36/71/69/275367169.db2.gz AWGZFBLPMASBAJ-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292043924 275367170 /nfs/dbraw/zinc/36/71/70/275367170.db2.gz AWGZFBLPMASBAJ-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292043924 275367172 /nfs/dbraw/zinc/36/71/72/275367172.db2.gz AWGZFBLPMASBAJ-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292043924 275367174 /nfs/dbraw/zinc/36/71/74/275367174.db2.gz AWGZFBLPMASBAJ-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CCCO2 ZINC000423532522 275372221 /nfs/dbraw/zinc/37/22/21/275372221.db2.gz ZVJAFDWYRQPBDL-GXTWGEPZSA-N 2 2 341.249 2.241 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CCN(CC[NH+](C)C)c2ncccc2C1 ZINC000096069176 279248845 /nfs/dbraw/zinc/24/88/45/279248845.db2.gz STPWZULNZDRPPB-UHFFFAOYSA-N 2 2 329.448 2.070 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CCN(CC[NH+](C)C)c2ncccc2C1 ZINC000096069176 279248847 /nfs/dbraw/zinc/24/88/47/279248847.db2.gz STPWZULNZDRPPB-UHFFFAOYSA-N 2 2 329.448 2.070 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](CCCCC3(C)OCCO3)CC2)c1 ZINC000297958813 294382738 /nfs/dbraw/zinc/38/27/38/294382738.db2.gz WIEZGLDUVDHOFJ-UHFFFAOYSA-N 2 2 335.448 2.146 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000297997246 294392684 /nfs/dbraw/zinc/39/26/84/294392684.db2.gz NTDQYJDZIHLNLI-YOEHRIQHSA-N 2 2 329.448 2.394 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000298272302 294461132 /nfs/dbraw/zinc/46/11/32/294461132.db2.gz BHYZUBYUTAFUKN-UHFFFAOYSA-N 2 2 347.488 2.034 10 0 EEAELP CC1(C)C[N@H+](CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000170628902 311392616 /nfs/dbraw/zinc/39/26/16/311392616.db2.gz DEBHNDJMRBIYFF-UHFFFAOYSA-N 2 2 345.487 2.123 10 0 EEAELP CC1(C)C[N@@H+](CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000170628902 311392618 /nfs/dbraw/zinc/39/26/18/311392618.db2.gz DEBHNDJMRBIYFF-UHFFFAOYSA-N 2 2 345.487 2.123 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333694479 312184114 /nfs/dbraw/zinc/18/41/14/312184114.db2.gz QBOGMMRMYLGOHH-RHSMWYFYSA-N 2 2 345.491 2.106 10 0 EEAELP CC[N@H+](CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000416868439 313341262 /nfs/dbraw/zinc/34/12/62/313341262.db2.gz FPVAEKZFLOSINC-AEFFLSMTSA-N 2 2 330.476 2.296 10 0 EEAELP CC[N@@H+](CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000416868439 313341263 /nfs/dbraw/zinc/34/12/63/313341263.db2.gz FPVAEKZFLOSINC-AEFFLSMTSA-N 2 2 330.476 2.296 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000416897985 313353534 /nfs/dbraw/zinc/35/35/34/313353534.db2.gz ZBGQWBUTIDPQPB-TUKIKUTGSA-N 2 2 347.850 2.294 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418388530 313801115 /nfs/dbraw/zinc/80/11/15/313801115.db2.gz SMKYPUYHBGUYIE-KGLIPLIRSA-N 2 2 336.867 2.090 10 0 EEAELP Cc1ccc(C[N@H+](CCO)Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000420965512 314011226 /nfs/dbraw/zinc/01/12/26/314011226.db2.gz PLBRGRAFRCADJA-UHFFFAOYSA-N 2 2 344.455 2.415 10 0 EEAELP Cc1ccc(C[N@@H+](CCO)Cc2cccc(C[NH+]3CCOCC3)c2)o1 ZINC000420965512 314011227 /nfs/dbraw/zinc/01/12/27/314011227.db2.gz PLBRGRAFRCADJA-UHFFFAOYSA-N 2 2 344.455 2.415 10 0 EEAELP Cc1c(Cl)c(CNC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1C ZINC000421324711 314086030 /nfs/dbraw/zinc/08/60/30/314086030.db2.gz KHHBLOYYIAOJKQ-UHFFFAOYSA-N 2 2 339.915 2.030 10 0 EEAELP Cc1c(Cl)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)nn1C ZINC000421324711 314086041 /nfs/dbraw/zinc/08/60/41/314086041.db2.gz KHHBLOYYIAOJKQ-UHFFFAOYSA-N 2 2 339.915 2.030 10 0 EEAELP Cc1ccccc1[C@@H](C[NH+]1CCOCC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530219144 317701036 /nfs/dbraw/zinc/70/10/36/317701036.db2.gz KMWWNIKWNGYIGL-RTBURBONSA-N 2 2 329.488 2.243 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000566139659 319251216 /nfs/dbraw/zinc/25/12/16/319251216.db2.gz DWKIQKIHRMOMRU-UHFFFAOYSA-N 2 2 334.427 2.199 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000566292456 319270493 /nfs/dbraw/zinc/27/04/93/319270493.db2.gz XBVJFVDDMACLTJ-INIZCTEOSA-N 2 2 344.434 2.175 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574773469 320056836 /nfs/dbraw/zinc/05/68/36/320056836.db2.gz FURIMXHBJNGGCX-LSDHHAIUSA-N 2 2 333.480 2.355 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000574773469 320056838 /nfs/dbraw/zinc/05/68/38/320056838.db2.gz FURIMXHBJNGGCX-LSDHHAIUSA-N 2 2 333.480 2.355 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000574974305 320075402 /nfs/dbraw/zinc/07/54/02/320075402.db2.gz RLACCSZUWBVBNL-QGZVFWFLSA-N 2 2 343.475 2.108 10 0 EEAELP O=S1(=O)C[C@@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000575748671 320110671 /nfs/dbraw/zinc/11/06/71/320110671.db2.gz SVPAUBAAZVKOFW-OAHLLOKOSA-N 2 2 334.485 2.022 10 0 EEAELP O=C(Nc1ccc2c(c1)C[NH2+]C2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000576091170 320139554 /nfs/dbraw/zinc/13/95/54/320139554.db2.gz OLLYPPOHAZGOIF-UHFFFAOYSA-N 2 2 337.427 2.475 10 0 EEAELP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000580985402 324162531 /nfs/dbraw/zinc/16/25/31/324162531.db2.gz FMBBDNTWUWFPQT-HNNXBMFYSA-N 2 2 333.480 2.029 10 0 EEAELP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000580985402 324162534 /nfs/dbraw/zinc/16/25/34/324162534.db2.gz FMBBDNTWUWFPQT-HNNXBMFYSA-N 2 2 333.480 2.029 10 0 EEAELP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000580985402 324162537 /nfs/dbraw/zinc/16/25/37/324162537.db2.gz FMBBDNTWUWFPQT-HNNXBMFYSA-N 2 2 333.480 2.029 10 0 EEAELP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000580985402 324162540 /nfs/dbraw/zinc/16/25/40/324162540.db2.gz FMBBDNTWUWFPQT-HNNXBMFYSA-N 2 2 333.480 2.029 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNc1noc(Cc2ccc(F)cc2)n1 ZINC000621335484 450689693 /nfs/dbraw/zinc/68/96/93/450689693.db2.gz NYRBGNLBCQURGW-UHFFFAOYSA-N 2 2 335.427 2.095 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNc1noc(Cc2ccc(F)cc2)n1 ZINC000621335484 450689699 /nfs/dbraw/zinc/68/96/99/450689699.db2.gz NYRBGNLBCQURGW-UHFFFAOYSA-N 2 2 335.427 2.095 10 0 EEAELP [NH3+]CCc1ccccc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000327194754 465050149 /nfs/dbraw/zinc/05/01/49/465050149.db2.gz DUHDCRSZSRAFNJ-UHFFFAOYSA-N 2 2 339.439 2.272 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H]3CCN(C4CC4)C3)c2cc1C ZINC000336892706 465086050 /nfs/dbraw/zinc/08/60/50/465086050.db2.gz SJQCZVGQHOTNEK-ZWKOTPCHSA-N 2 2 342.487 2.183 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H]3CCN(C4CC4)C3)c2cc1C ZINC000336892706 465086057 /nfs/dbraw/zinc/08/60/57/465086057.db2.gz SJQCZVGQHOTNEK-ZWKOTPCHSA-N 2 2 342.487 2.183 10 0 EEAELP CN(C)c1ccc(N[C@H]2CCC[N@H+](Cc3cncn3C)CC2)c[nH+]1 ZINC000328654427 465091341 /nfs/dbraw/zinc/09/13/41/465091341.db2.gz XKQPAJRGHGOKJH-HNNXBMFYSA-N 2 2 328.464 2.348 10 0 EEAELP CN(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3cncn3C)CC2)c[nH+]1 ZINC000328654427 465091347 /nfs/dbraw/zinc/09/13/47/465091347.db2.gz XKQPAJRGHGOKJH-HNNXBMFYSA-N 2 2 328.464 2.348 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000337288313 465287227 /nfs/dbraw/zinc/28/72/27/465287227.db2.gz NHSFBMJSHJBKSG-UHFFFAOYSA-N 2 2 338.455 2.414 10 0 EEAELP Cc1cscc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154243805 462744126 /nfs/dbraw/zinc/74/41/26/462744126.db2.gz NVUJNKBNMCWSFZ-XYPWUTKMSA-N 2 2 333.501 2.440 10 0 EEAELP Cc1cscc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154243805 462744131 /nfs/dbraw/zinc/74/41/31/462744131.db2.gz NVUJNKBNMCWSFZ-XYPWUTKMSA-N 2 2 333.501 2.440 10 0 EEAELP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000076072994 462801136 /nfs/dbraw/zinc/80/11/36/462801136.db2.gz JJLZFPWSLMEMIR-GFCCVEGCSA-N 2 2 347.385 2.119 10 0 EEAELP C[N@@H+](Cc1csnn1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121180231 463093798 /nfs/dbraw/zinc/09/37/98/463093798.db2.gz VIRHWNWVDTVYKL-GOSISDBHSA-N 2 2 346.500 2.416 10 0 EEAELP C[N@H+](Cc1csnn1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121180231 463093803 /nfs/dbraw/zinc/09/38/03/463093803.db2.gz VIRHWNWVDTVYKL-GOSISDBHSA-N 2 2 346.500 2.416 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000158708645 463247734 /nfs/dbraw/zinc/24/77/34/463247734.db2.gz VQYUSKNOTSWBOU-GOSISDBHSA-N 2 2 346.475 2.366 10 0 EEAELP c1cn(CCC[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)c[nH+]1 ZINC000097034091 463306672 /nfs/dbraw/zinc/30/66/72/463306672.db2.gz JZDKRBCZDMMPPM-UHFFFAOYSA-N 2 2 326.444 2.026 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000553142395 468351325 /nfs/dbraw/zinc/35/13/25/468351325.db2.gz ZIYMGOPGPAJOAQ-QGZVFWFLSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[NH+]1CC(C)(C)C1 ZINC000553142395 468351329 /nfs/dbraw/zinc/35/13/29/468351329.db2.gz ZIYMGOPGPAJOAQ-QGZVFWFLSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C(C)(C)C ZINC000080739204 463352488 /nfs/dbraw/zinc/35/24/88/463352488.db2.gz ABJVIYUDRFHKMZ-MRXNPFEDSA-N 2 2 347.503 2.159 10 0 EEAELP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1NC(C)=O ZINC000151374480 463520776 /nfs/dbraw/zinc/52/07/76/463520776.db2.gz HPUZTLNIRSURJV-AWEZNQCLSA-N 2 2 349.475 2.151 10 0 EEAELP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000107892180 463586291 /nfs/dbraw/zinc/58/62/91/463586291.db2.gz ZYOQKINJIIFBCB-SJLPKXTDSA-N 2 2 347.528 2.235 10 0 EEAELP CC[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000107892180 463586296 /nfs/dbraw/zinc/58/62/96/463586296.db2.gz ZYOQKINJIIFBCB-SJLPKXTDSA-N 2 2 347.528 2.235 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(F)c1 ZINC000568638569 468367216 /nfs/dbraw/zinc/36/72/16/468367216.db2.gz BYBAFRLDEPIBGR-QGZVFWFLSA-N 2 2 335.467 2.436 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(F)c1 ZINC000568638569 468367219 /nfs/dbraw/zinc/36/72/19/468367219.db2.gz BYBAFRLDEPIBGR-QGZVFWFLSA-N 2 2 335.467 2.436 10 0 EEAELP C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C(C)(C)C[NH+](C)C ZINC000085360714 463645786 /nfs/dbraw/zinc/64/57/86/463645786.db2.gz HRRSIFNZOYBSJA-NSHDSACASA-N 2 2 349.401 2.221 10 0 EEAELP CC[NH+](CC)CCCNC(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112739747 463706657 /nfs/dbraw/zinc/70/66/57/463706657.db2.gz FOXPYZLOUFXZLJ-UHFFFAOYSA-N 2 2 335.496 2.343 10 0 EEAELP COc1ccnc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)c1 ZINC000286914001 463742444 /nfs/dbraw/zinc/74/24/44/463742444.db2.gz ZZSVJLJBOGAWNJ-HNAYVOBHSA-N 2 2 343.475 2.339 10 0 EEAELP COc1ccnc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)c1 ZINC000286914001 463742447 /nfs/dbraw/zinc/74/24/47/463742447.db2.gz ZZSVJLJBOGAWNJ-HNAYVOBHSA-N 2 2 343.475 2.339 10 0 EEAELP COc1ccnc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)c1 ZINC000286914001 463742454 /nfs/dbraw/zinc/74/24/54/463742454.db2.gz ZZSVJLJBOGAWNJ-HNAYVOBHSA-N 2 2 343.475 2.339 10 0 EEAELP COc1ccnc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)c1 ZINC000286914001 463742458 /nfs/dbraw/zinc/74/24/58/463742458.db2.gz ZZSVJLJBOGAWNJ-HNAYVOBHSA-N 2 2 343.475 2.339 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177771648 463787984 /nfs/dbraw/zinc/78/79/84/463787984.db2.gz TZMRTOFVABDBPU-MRXNPFEDSA-N 2 2 338.415 2.213 10 0 EEAELP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000261780633 463857026 /nfs/dbraw/zinc/85/70/26/463857026.db2.gz MYGGJCKWISGPHG-SFHVURJKSA-N 2 2 333.480 2.073 10 0 EEAELP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000261780633 463857033 /nfs/dbraw/zinc/85/70/33/463857033.db2.gz MYGGJCKWISGPHG-SFHVURJKSA-N 2 2 333.480 2.073 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000172221788 464020850 /nfs/dbraw/zinc/02/08/50/464020850.db2.gz FNYKNYFZALSNLO-INIZCTEOSA-N 2 2 342.443 2.055 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000172221788 464020853 /nfs/dbraw/zinc/02/08/53/464020853.db2.gz FNYKNYFZALSNLO-INIZCTEOSA-N 2 2 342.443 2.055 10 0 EEAELP CCOC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195249908 464024175 /nfs/dbraw/zinc/02/41/75/464024175.db2.gz WVVUHPHFKVACCP-CQSZACIVSA-N 2 2 325.478 2.158 10 0 EEAELP CCOC(=O)CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195249908 464024180 /nfs/dbraw/zinc/02/41/80/464024180.db2.gz WVVUHPHFKVACCP-CQSZACIVSA-N 2 2 325.478 2.158 10 0 EEAELP CCOC(=O)CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195249908 464024182 /nfs/dbraw/zinc/02/41/82/464024182.db2.gz WVVUHPHFKVACCP-CQSZACIVSA-N 2 2 325.478 2.158 10 0 EEAELP CCOC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195249908 464024187 /nfs/dbraw/zinc/02/41/87/464024187.db2.gz WVVUHPHFKVACCP-CQSZACIVSA-N 2 2 325.478 2.158 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[N@@H+]1C ZINC000279178338 464053755 /nfs/dbraw/zinc/05/37/55/464053755.db2.gz JWMYHCDKORMGAQ-QRTARXTBSA-N 2 2 344.434 2.495 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[N@H+]1C ZINC000279178338 464053761 /nfs/dbraw/zinc/05/37/61/464053761.db2.gz JWMYHCDKORMGAQ-QRTARXTBSA-N 2 2 344.434 2.495 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCCNc2cccc[nH+]2)[C@H]1c1ccccc1 ZINC000270258730 464237199 /nfs/dbraw/zinc/23/71/99/464237199.db2.gz CPDLEBDKSONJOG-FUHWJXTLSA-N 2 2 339.443 2.238 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCCNc2cccc[nH+]2)[C@H]1c1ccccc1 ZINC000270258730 464237210 /nfs/dbraw/zinc/23/72/10/464237210.db2.gz CPDLEBDKSONJOG-FUHWJXTLSA-N 2 2 339.443 2.238 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000238062480 464427331 /nfs/dbraw/zinc/42/73/31/464427331.db2.gz KHNCRLDFGPPACJ-NEWSRXKRSA-N 2 2 343.471 2.378 10 0 EEAELP Cc1ccccc1CCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265451346 464564404 /nfs/dbraw/zinc/56/44/04/464564404.db2.gz CDYOVVPTKVGHEM-UHFFFAOYSA-N 2 2 326.444 2.256 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439831 464609950 /nfs/dbraw/zinc/60/99/50/464609950.db2.gz SRNXVEFGEONHIV-BURNTYAHSA-N 3 2 343.515 2.228 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439831 464609957 /nfs/dbraw/zinc/60/99/57/464609957.db2.gz SRNXVEFGEONHIV-BURNTYAHSA-N 3 2 343.515 2.228 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733534 464617030 /nfs/dbraw/zinc/61/70/30/464617030.db2.gz GIYLGQHIDIAQFZ-QLFBSQMISA-N 2 2 347.425 2.203 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733534 464617031 /nfs/dbraw/zinc/61/70/31/464617031.db2.gz GIYLGQHIDIAQFZ-QLFBSQMISA-N 2 2 347.425 2.203 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733534 464617035 /nfs/dbraw/zinc/61/70/35/464617035.db2.gz GIYLGQHIDIAQFZ-QLFBSQMISA-N 2 2 347.425 2.203 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733534 464617037 /nfs/dbraw/zinc/61/70/37/464617037.db2.gz GIYLGQHIDIAQFZ-QLFBSQMISA-N 2 2 347.425 2.203 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c[nH+]1 ZINC000247530764 464690444 /nfs/dbraw/zinc/69/04/44/464690444.db2.gz XMPYMMZXIRRKAM-WBVHZDCISA-N 2 2 345.491 2.306 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c[nH+]1 ZINC000247530764 464690450 /nfs/dbraw/zinc/69/04/50/464690450.db2.gz XMPYMMZXIRRKAM-WBVHZDCISA-N 2 2 345.491 2.306 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCc1ccco1 ZINC000282203203 464734880 /nfs/dbraw/zinc/73/48/80/464734880.db2.gz XICKIKZORBBFQK-OAHLLOKOSA-N 2 2 342.443 2.308 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCc1ccco1 ZINC000282203203 464734886 /nfs/dbraw/zinc/73/48/86/464734886.db2.gz XICKIKZORBBFQK-OAHLLOKOSA-N 2 2 342.443 2.308 10 0 EEAELP Cc1ccn2cc(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c2c1 ZINC000266755772 464810417 /nfs/dbraw/zinc/81/04/17/464810417.db2.gz OJFKLZFIIBMJNZ-ZBFHGGJFSA-N 2 2 329.448 2.267 10 0 EEAELP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000295598195 464896932 /nfs/dbraw/zinc/89/69/32/464896932.db2.gz CBVYIBULGQOREB-UHFFFAOYSA-N 2 2 339.842 2.001 10 0 EEAELP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000295598195 464896937 /nfs/dbraw/zinc/89/69/37/464896937.db2.gz CBVYIBULGQOREB-UHFFFAOYSA-N 2 2 339.842 2.001 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000177150342 464942847 /nfs/dbraw/zinc/94/28/47/464942847.db2.gz QLZJAIVYKNEMSC-INIZCTEOSA-N 2 2 336.399 2.077 10 0 EEAELP C[NH+]1CCC(CNC(=O)Nc2ccncc2F)([NH+]2CCCCC2)CC1 ZINC000184133159 464950655 /nfs/dbraw/zinc/95/06/55/464950655.db2.gz PGGIFNVWQJIPJG-UHFFFAOYSA-N 2 2 349.454 2.293 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000337810248 465598798 /nfs/dbraw/zinc/59/87/98/465598798.db2.gz MCCUDVJQDUQCBP-HNNXBMFYSA-N 2 2 334.489 2.349 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000337810248 465598803 /nfs/dbraw/zinc/59/88/03/465598803.db2.gz MCCUDVJQDUQCBP-HNNXBMFYSA-N 2 2 334.489 2.349 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371229386 465657250 /nfs/dbraw/zinc/65/72/50/465657250.db2.gz IYDCFBNJLZZTIP-CVEARBPZSA-N 2 2 326.444 2.335 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000361014569 465703915 /nfs/dbraw/zinc/70/39/15/465703915.db2.gz UWEGPDHLOBFUIV-YLJYHZDGSA-N 2 2 347.503 2.285 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000361014569 465703925 /nfs/dbraw/zinc/70/39/25/465703925.db2.gz UWEGPDHLOBFUIV-YLJYHZDGSA-N 2 2 347.503 2.285 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000340107630 465772626 /nfs/dbraw/zinc/77/26/26/465772626.db2.gz ZTUNYZDJJQBOGW-MRXNPFEDSA-N 2 2 345.418 2.091 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1cccs1 ZINC000357130511 465797123 /nfs/dbraw/zinc/79/71/23/465797123.db2.gz HYBQTNADUICPGV-HNNXBMFYSA-N 2 2 341.440 2.362 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@H](C4CC4)C3)c2cc1C ZINC000362560982 465831475 /nfs/dbraw/zinc/83/14/75/465831475.db2.gz OKSRIBWGNCJGFB-APWZRJJASA-N 2 2 329.444 2.125 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@H](C4CC4)C3)c2cc1C ZINC000362560982 465831477 /nfs/dbraw/zinc/83/14/77/465831477.db2.gz OKSRIBWGNCJGFB-APWZRJJASA-N 2 2 329.444 2.125 10 0 EEAELP C[C@@H](c1c(F)cccc1F)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338233416 465926255 /nfs/dbraw/zinc/92/62/55/465926255.db2.gz JJXPFNKZMBNWMA-ZDUSSCGKSA-N 2 2 325.403 2.122 10 0 EEAELP C[C@@H](c1c(F)cccc1F)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338233416 465926257 /nfs/dbraw/zinc/92/62/57/465926257.db2.gz JJXPFNKZMBNWMA-ZDUSSCGKSA-N 2 2 325.403 2.122 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC000371702503 465951267 /nfs/dbraw/zinc/95/12/67/465951267.db2.gz YVNIMQDRFVDVAA-MRXNPFEDSA-N 2 2 345.422 2.159 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361531397 466080962 /nfs/dbraw/zinc/08/09/62/466080962.db2.gz REKRIIUAFCETIS-MRXNPFEDSA-N 2 2 335.448 2.190 10 0 EEAELP Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)nc(C2CC2)[nH+]1 ZINC000362946504 466138567 /nfs/dbraw/zinc/13/85/67/466138567.db2.gz XXHQWGSFULGARN-KRWDZBQOSA-N 2 2 329.492 2.269 10 0 EEAELP Cc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)nc(C2CC2)[nH+]1 ZINC000362946504 466138574 /nfs/dbraw/zinc/13/85/74/466138574.db2.gz XXHQWGSFULGARN-KRWDZBQOSA-N 2 2 329.492 2.269 10 0 EEAELP COc1cccc([C@@H]2[C@H]([NH2+]CCn3cc[nH+]c3)CCN2C2CC2)c1 ZINC000367252422 466218423 /nfs/dbraw/zinc/21/84/23/466218423.db2.gz MVAXILPTXPZMRG-RTBURBONSA-N 2 2 326.444 2.459 10 0 EEAELP C[NH+]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000361735893 466245694 /nfs/dbraw/zinc/24/56/94/466245694.db2.gz XBPQCIUNPRUNMM-INIZCTEOSA-N 2 2 330.476 2.267 10 0 EEAELP C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353989013 466305629 /nfs/dbraw/zinc/30/56/29/466305629.db2.gz ZAZALFLLRWOKRV-KBPBESRZSA-N 2 2 333.457 2.489 10 0 EEAELP COc1ccccc1/C=C/C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000367472331 466361846 /nfs/dbraw/zinc/36/18/46/466361846.db2.gz IYUWVRLZDACNLH-MEQKGCOVSA-N 2 2 329.488 2.420 10 0 EEAELP COc1ccccc1/C=C/C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000367472331 466361847 /nfs/dbraw/zinc/36/18/47/466361847.db2.gz IYUWVRLZDACNLH-MEQKGCOVSA-N 2 2 329.488 2.420 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000357984950 466366460 /nfs/dbraw/zinc/36/64/60/466366460.db2.gz BGECBHMBCXYRMI-QFBILLFUSA-N 2 2 329.488 2.150 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000357984950 466366470 /nfs/dbraw/zinc/36/64/70/466366470.db2.gz BGECBHMBCXYRMI-QFBILLFUSA-N 2 2 329.488 2.150 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000354211599 466380232 /nfs/dbraw/zinc/38/02/32/466380232.db2.gz XAPBFVULLRSBLX-DOTOQJQBSA-N 2 2 333.476 2.116 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000354211599 466380241 /nfs/dbraw/zinc/38/02/41/466380241.db2.gz XAPBFVULLRSBLX-DOTOQJQBSA-N 2 2 333.476 2.116 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000354211599 466380248 /nfs/dbraw/zinc/38/02/48/466380248.db2.gz XAPBFVULLRSBLX-DOTOQJQBSA-N 2 2 333.476 2.116 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(OC)cc2)C[C@@H]1C ZINC000354211599 466380257 /nfs/dbraw/zinc/38/02/57/466380257.db2.gz XAPBFVULLRSBLX-DOTOQJQBSA-N 2 2 333.476 2.116 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000354211600 466380762 /nfs/dbraw/zinc/38/07/62/466380762.db2.gz XAPBFVULLRSBLX-NVXWUHKLSA-N 2 2 333.476 2.116 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000354211600 466380773 /nfs/dbraw/zinc/38/07/73/466380773.db2.gz XAPBFVULLRSBLX-NVXWUHKLSA-N 2 2 333.476 2.116 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000354211600 466380782 /nfs/dbraw/zinc/38/07/82/466380782.db2.gz XAPBFVULLRSBLX-NVXWUHKLSA-N 2 2 333.476 2.116 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000354211600 466380792 /nfs/dbraw/zinc/38/07/92/466380792.db2.gz XAPBFVULLRSBLX-NVXWUHKLSA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000358087631 466443387 /nfs/dbraw/zinc/44/33/87/466443387.db2.gz OYPILLZHDOYRTR-KXBFYZLASA-N 2 2 345.487 2.230 10 0 EEAELP CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000358087631 466443394 /nfs/dbraw/zinc/44/33/94/466443394.db2.gz OYPILLZHDOYRTR-KXBFYZLASA-N 2 2 345.487 2.230 10 0 EEAELP Cc1cccc(O[C@@H]2CCCC[C@@H]2[NH2+]CC(=O)N2CC[NH+](C)CC2)c1 ZINC000362021601 466490426 /nfs/dbraw/zinc/49/04/26/466490426.db2.gz ZLUPTOOCZKPVBO-RBUKOAKNSA-N 2 2 345.487 2.049 10 0 EEAELP [NH3+]CCc1ccccc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000321534847 466623783 /nfs/dbraw/zinc/62/37/83/466623783.db2.gz XXGIARCGPFINAI-UHFFFAOYSA-N 2 2 329.469 2.207 10 0 EEAELP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000423508880 466761386 /nfs/dbraw/zinc/76/13/86/466761386.db2.gz RAHUFMKTORESMR-SCLBCKFNSA-N 2 2 347.484 2.247 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c(C)[nH+]1 ZINC000411288252 466801515 /nfs/dbraw/zinc/80/15/15/466801515.db2.gz CMBXWPKWKQYOJI-UHFFFAOYSA-N 2 2 341.415 2.075 10 0 EEAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000365626642 466886810 /nfs/dbraw/zinc/88/68/10/466886810.db2.gz JFHJMYPYWVKZNE-WUJZJPHMSA-N 2 2 349.475 2.084 10 0 EEAELP CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000365626642 466886813 /nfs/dbraw/zinc/88/68/13/466886813.db2.gz JFHJMYPYWVKZNE-WUJZJPHMSA-N 2 2 349.475 2.084 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983090 467010687 /nfs/dbraw/zinc/01/06/87/467010687.db2.gz LNJXUNQTYYNAJU-LSDHHAIUSA-N 2 2 342.846 2.133 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)NCC[NH2+]C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983090 467010689 /nfs/dbraw/zinc/01/06/89/467010689.db2.gz LNJXUNQTYYNAJU-LSDHHAIUSA-N 2 2 342.846 2.133 10 0 EEAELP Cc1cc(C[NH3+])cc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000424435650 467051000 /nfs/dbraw/zinc/05/10/00/467051000.db2.gz LLIMXUYAZRTOCK-GOSISDBHSA-N 2 2 346.475 2.172 10 0 EEAELP [NH3+][C@H](CNC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000418448522 467112243 /nfs/dbraw/zinc/11/22/43/467112243.db2.gz JGIOMCCOMUZLFE-MRXNPFEDSA-N 2 2 327.432 2.273 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000418566987 467129825 /nfs/dbraw/zinc/12/98/25/467129825.db2.gz GHGFGSYHNYQXSA-WBVHZDCISA-N 2 2 341.459 2.071 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000377890203 467160427 /nfs/dbraw/zinc/16/04/27/467160427.db2.gz SUSVGHUDGGGPBF-ZDUSSCGKSA-N 2 2 328.441 2.323 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000377890203 467160429 /nfs/dbraw/zinc/16/04/29/467160429.db2.gz SUSVGHUDGGGPBF-ZDUSSCGKSA-N 2 2 328.441 2.323 10 0 EEAELP COC(=O)C(C)(C)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000428418638 467231072 /nfs/dbraw/zinc/23/10/72/467231072.db2.gz LBPFCRHSTKJDEX-UHFFFAOYSA-N 2 2 348.472 2.003 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000420356154 467376276 /nfs/dbraw/zinc/37/62/76/467376276.db2.gz QOIGHXBZSKSBCC-GWCFXTLKSA-N 2 2 326.238 2.199 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000420356154 467376279 /nfs/dbraw/zinc/37/62/79/467376279.db2.gz QOIGHXBZSKSBCC-GWCFXTLKSA-N 2 2 326.238 2.199 10 0 EEAELP FC1(F)CC[NH2+]C[C@@H]1NCc1c[nH+]c2ccc(Br)cn12 ZINC000415006506 467466614 /nfs/dbraw/zinc/46/66/14/467466614.db2.gz TVPMOWLOGNAFPC-NSHDSACASA-N 2 2 345.191 2.184 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(N2CCOCC2)c1 ZINC000453255935 467471067 /nfs/dbraw/zinc/47/10/67/467471067.db2.gz FUZUINWURYBFGO-PXNSSMCTSA-N 2 2 347.503 2.021 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(N2CCOCC2)c1 ZINC000453255935 467471071 /nfs/dbraw/zinc/47/10/71/467471071.db2.gz FUZUINWURYBFGO-PXNSSMCTSA-N 2 2 347.503 2.021 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[NH+]1CCO ZINC000453261026 467472166 /nfs/dbraw/zinc/47/21/66/467472166.db2.gz JSSBSXKEOSFIDV-HLAWJBBLSA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[NH+]1CCO ZINC000453261026 467472168 /nfs/dbraw/zinc/47/21/68/467472168.db2.gz JSSBSXKEOSFIDV-HLAWJBBLSA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[N@@H+]1CCO ZINC000453261026 467472172 /nfs/dbraw/zinc/47/21/72/467472172.db2.gz JSSBSXKEOSFIDV-HLAWJBBLSA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[N@H+]1CCO ZINC000453261026 467472175 /nfs/dbraw/zinc/47/21/75/467472175.db2.gz JSSBSXKEOSFIDV-HLAWJBBLSA-N 2 2 345.531 2.333 10 0 EEAELP Cc1cccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1F ZINC000449025312 467613451 /nfs/dbraw/zinc/61/34/51/467613451.db2.gz BEWFYQHMBMZGRU-UHFFFAOYSA-N 2 2 329.423 2.312 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]CCCC2CCOCC2)CC1 ZINC000449355178 467633117 /nfs/dbraw/zinc/63/31/17/467633117.db2.gz WOYVJLOPZFMZLY-UHFFFAOYSA-N 2 2 326.481 2.200 10 0 EEAELP OCCN1CCCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449389640 467635662 /nfs/dbraw/zinc/63/56/62/467635662.db2.gz DLMXKGGUVAEWCF-NRFANRHFSA-N 2 2 345.531 2.130 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528562371 467704355 /nfs/dbraw/zinc/70/43/55/467704355.db2.gz WSRGUTVCHJYSDH-DLBZAZTESA-N 2 2 335.517 2.336 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1c1ccsc1 ZINC000528562371 467704357 /nfs/dbraw/zinc/70/43/57/467704357.db2.gz WSRGUTVCHJYSDH-DLBZAZTESA-N 2 2 335.517 2.336 10 0 EEAELP COc1c[nH+]ccc1N1CCN(c2cc(C)[nH+]c(C3CC3)n2)CC1 ZINC000514643040 467944964 /nfs/dbraw/zinc/94/49/64/467944964.db2.gz DQAQOEJDYGNTLH-UHFFFAOYSA-N 2 2 325.416 2.393 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459375072 467956653 /nfs/dbraw/zinc/95/66/53/467956653.db2.gz JQNZYTVCELTEAU-QGZVFWFLSA-N 2 2 342.443 2.383 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459375072 467956655 /nfs/dbraw/zinc/95/66/55/467956655.db2.gz JQNZYTVCELTEAU-QGZVFWFLSA-N 2 2 342.443 2.383 10 0 EEAELP C[C@@H]1C[C@H](C)CN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000466150222 467971463 /nfs/dbraw/zinc/97/14/63/467971463.db2.gz WHWNPAGWMOGRLJ-DLBZAZTESA-N 2 2 336.524 2.377 10 0 EEAELP CCCN(CC[NH+]1CCCC1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000479306696 468000003 /nfs/dbraw/zinc/00/00/03/468000003.db2.gz CCIIZRIYOOGLGT-UHFFFAOYSA-N 2 2 333.480 2.165 10 0 EEAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC000519708387 468197945 /nfs/dbraw/zinc/19/79/45/468197945.db2.gz XBADFVKAYDMLOF-HOCLYGCPSA-N 2 2 328.416 2.016 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519776805 468208492 /nfs/dbraw/zinc/20/84/92/468208492.db2.gz PPXSDNCGSCZXTJ-XLIONFOSSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519776805 468208498 /nfs/dbraw/zinc/20/84/98/468208498.db2.gz PPXSDNCGSCZXTJ-XLIONFOSSA-N 2 2 329.488 2.118 10 0 EEAELP C[C@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000570177344 468601068 /nfs/dbraw/zinc/60/10/68/468601068.db2.gz YUNXWKCQRRTGTN-KRWDZBQOSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000570177344 468601073 /nfs/dbraw/zinc/60/10/73/468601073.db2.gz YUNXWKCQRRTGTN-KRWDZBQOSA-N 2 2 329.488 2.451 10 0 EEAELP COC(=O)[C@@H]1C[C@H]1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000594931052 468725008 /nfs/dbraw/zinc/72/50/08/468725008.db2.gz KTGGFSWKDWMZAP-RRQGHBQHSA-N 2 2 346.475 2.222 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000594942696 468727567 /nfs/dbraw/zinc/72/75/67/468727567.db2.gz ZGLBVQUBSLPRKS-GVDBMIGSSA-N 2 2 338.492 2.056 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612779 468922381 /nfs/dbraw/zinc/92/23/81/468922381.db2.gz VJPYEKOFGDUAIW-WMZOPIPTSA-N 2 2 348.487 2.240 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612779 468922386 /nfs/dbraw/zinc/92/23/86/468922386.db2.gz VJPYEKOFGDUAIW-WMZOPIPTSA-N 2 2 348.487 2.240 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612779 468922392 /nfs/dbraw/zinc/92/23/92/468922392.db2.gz VJPYEKOFGDUAIW-WMZOPIPTSA-N 2 2 348.487 2.240 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595612779 468922399 /nfs/dbraw/zinc/92/23/99/468922399.db2.gz VJPYEKOFGDUAIW-WMZOPIPTSA-N 2 2 348.487 2.240 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614800309 469058855 /nfs/dbraw/zinc/05/88/55/469058855.db2.gz PCMXEKPTXPHJHO-CQSZACIVSA-N 2 2 330.432 2.088 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614800309 469058859 /nfs/dbraw/zinc/05/88/59/469058859.db2.gz PCMXEKPTXPHJHO-CQSZACIVSA-N 2 2 330.432 2.088 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614800309 469058866 /nfs/dbraw/zinc/05/88/66/469058866.db2.gz PCMXEKPTXPHJHO-CQSZACIVSA-N 2 2 330.432 2.088 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614800309 469058871 /nfs/dbraw/zinc/05/88/71/469058871.db2.gz PCMXEKPTXPHJHO-CQSZACIVSA-N 2 2 330.432 2.088 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000625838170 469405875 /nfs/dbraw/zinc/40/58/75/469405875.db2.gz YUKJZMGSAJKOOM-SGMGOOAPSA-N 2 2 337.493 2.247 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000625838170 469405878 /nfs/dbraw/zinc/40/58/78/469405878.db2.gz YUKJZMGSAJKOOM-SGMGOOAPSA-N 2 2 337.493 2.247 10 0 EEAELP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccc3ccccc3c2)CC1 ZINC000626115689 469506357 /nfs/dbraw/zinc/50/63/57/469506357.db2.gz AXIMJDMKMDHZSS-UHFFFAOYSA-N 2 2 325.456 2.439 10 0 EEAELP CN(C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H]1CCCc2ccccc21 ZINC000629583750 469584051 /nfs/dbraw/zinc/58/40/51/469584051.db2.gz DVKUSQNRXDQYKN-NRSPTQNISA-N 2 2 341.499 2.454 10 0 EEAELP CN(C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)[C@@H]1CCCc2ccccc21 ZINC000629583750 469584053 /nfs/dbraw/zinc/58/40/53/469584053.db2.gz DVKUSQNRXDQYKN-NRSPTQNISA-N 2 2 341.499 2.454 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000629585169 469584754 /nfs/dbraw/zinc/58/47/54/469584754.db2.gz LYOHMFZLVOGRNN-RYQLBKOJSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000629585169 469584756 /nfs/dbraw/zinc/58/47/56/469584756.db2.gz LYOHMFZLVOGRNN-RYQLBKOJSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@H](O)C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607391334 469688148 /nfs/dbraw/zinc/68/81/48/469688148.db2.gz YWDFVWQOCVOGLF-RXVVDRJESA-N 2 2 342.483 2.362 10 0 EEAELP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000607391334 469688152 /nfs/dbraw/zinc/68/81/52/469688152.db2.gz YWDFVWQOCVOGLF-RXVVDRJESA-N 2 2 342.483 2.362 10 0 EEAELP C[C@H](O)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000607391334 469688156 /nfs/dbraw/zinc/68/81/56/469688156.db2.gz YWDFVWQOCVOGLF-RXVVDRJESA-N 2 2 342.483 2.362 10 0 EEAELP C[C@H](O)C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000607391334 469688161 /nfs/dbraw/zinc/68/81/61/469688161.db2.gz YWDFVWQOCVOGLF-RXVVDRJESA-N 2 2 342.483 2.362 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1O ZINC000617504390 469701270 /nfs/dbraw/zinc/70/12/70/469701270.db2.gz UALGWRMUZGKAIE-LBPRGKRZSA-N 2 2 327.856 2.047 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1O ZINC000617504390 469701275 /nfs/dbraw/zinc/70/12/75/469701275.db2.gz UALGWRMUZGKAIE-LBPRGKRZSA-N 2 2 327.856 2.047 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000607924763 469728747 /nfs/dbraw/zinc/72/87/47/469728747.db2.gz DUYAOEOAIPOZPK-UHFFFAOYSA-N 2 2 328.460 2.423 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000623671022 469729211 /nfs/dbraw/zinc/72/92/11/469729211.db2.gz PMUHFWNVKHGVJH-ZWKOTPCHSA-N 2 2 338.455 2.269 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000623671022 469729215 /nfs/dbraw/zinc/72/92/15/469729215.db2.gz PMUHFWNVKHGVJH-ZWKOTPCHSA-N 2 2 338.455 2.269 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc2c1OC(C)(C)C2 ZINC000617763383 469796442 /nfs/dbraw/zinc/79/64/42/469796442.db2.gz OZRRCXYMLBBQBB-UHFFFAOYSA-N 2 2 333.476 2.013 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc2c1OC(C)(C)C2 ZINC000617763383 469796448 /nfs/dbraw/zinc/79/64/48/469796448.db2.gz OZRRCXYMLBBQBB-UHFFFAOYSA-N 2 2 333.476 2.013 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000617766391 469796992 /nfs/dbraw/zinc/79/69/92/469796992.db2.gz IUYBMOOCRKUTCM-GDBMZVCRSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000617766391 469796993 /nfs/dbraw/zinc/79/69/93/469796993.db2.gz IUYBMOOCRKUTCM-GDBMZVCRSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000617768193 469798493 /nfs/dbraw/zinc/79/84/93/469798493.db2.gz SVEQWAMUBMFECZ-UHFFFAOYSA-N 2 2 335.467 2.247 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2cccc(F)c2)CCC1 ZINC000617768193 469798495 /nfs/dbraw/zinc/79/84/95/469798495.db2.gz SVEQWAMUBMFECZ-UHFFFAOYSA-N 2 2 335.467 2.247 10 0 EEAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000627224404 469849778 /nfs/dbraw/zinc/84/97/78/469849778.db2.gz LQHZXLCLBBULLJ-HOCLYGCPSA-N 2 2 336.867 2.002 10 0 EEAELP C[N@H+]1CCN(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000627224404 469849784 /nfs/dbraw/zinc/84/97/84/469849784.db2.gz LQHZXLCLBBULLJ-HOCLYGCPSA-N 2 2 336.867 2.002 10 0 EEAELP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000624936712 470047991 /nfs/dbraw/zinc/04/79/91/470047991.db2.gz SUZPNDQJQDYWQF-GFCCVEGCSA-N 2 2 335.414 2.250 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccsc1C(F)(F)F ZINC000628062338 470049784 /nfs/dbraw/zinc/04/97/84/470049784.db2.gz CLFJZBXUNYUHNP-UHFFFAOYSA-N 2 2 337.411 2.380 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccsc1C(F)(F)F ZINC000628062338 470049785 /nfs/dbraw/zinc/04/97/85/470049785.db2.gz CLFJZBXUNYUHNP-UHFFFAOYSA-N 2 2 337.411 2.380 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634708918 470283403 /nfs/dbraw/zinc/28/34/03/470283403.db2.gz AXWUOHMMQKSMDC-YSGRDPCXSA-N 2 2 347.503 2.109 10 0 EEAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635104892 470436436 /nfs/dbraw/zinc/43/64/36/470436436.db2.gz FWYMYPKKZVHFMN-FMKPAKJESA-N 2 2 328.416 2.450 10 0 EEAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635104892 470436440 /nfs/dbraw/zinc/43/64/40/470436440.db2.gz FWYMYPKKZVHFMN-FMKPAKJESA-N 2 2 328.416 2.450 10 0 EEAELP COc1cc(C[NH+](C)C)ccc1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000633378278 470445434 /nfs/dbraw/zinc/44/54/34/470445434.db2.gz GHQSHLVSHGBVNG-UHFFFAOYSA-N 2 2 342.443 2.471 10 0 EEAELP C[NH+]1CCC2(CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C2)CC1 ZINC000646246121 470579312 /nfs/dbraw/zinc/57/93/12/470579312.db2.gz AMXLBOOAKNGAAG-UHFFFAOYSA-N 2 2 338.455 2.489 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1F ZINC000635424218 470579442 /nfs/dbraw/zinc/57/94/42/470579442.db2.gz ZJRUIGIGXAJRLP-ZIAGYGMSSA-N 2 2 339.374 2.463 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1F ZINC000635424218 470579445 /nfs/dbraw/zinc/57/94/45/470579445.db2.gz ZJRUIGIGXAJRLP-ZIAGYGMSSA-N 2 2 339.374 2.463 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000643056786 470607558 /nfs/dbraw/zinc/60/75/58/470607558.db2.gz GYCIKUIRFOADBA-QGZVFWFLSA-N 2 2 347.503 2.318 10 0 EEAELP O=C(C[C@H]1CC[NH2+]C1)N1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000646566741 470678618 /nfs/dbraw/zinc/67/86/18/470678618.db2.gz WKCXAICDXRKOKO-OAHLLOKOSA-N 2 2 326.444 2.344 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(-c3ccccc3)n[nH]1)CCO2 ZINC000648071833 471074870 /nfs/dbraw/zinc/07/48/70/471074870.db2.gz WQJKQONNYOXSOX-UHFFFAOYSA-N 2 2 326.444 2.373 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(-c3ccccc3)n[nH]1)CCO2 ZINC000648071833 471074873 /nfs/dbraw/zinc/07/48/73/471074873.db2.gz WQJKQONNYOXSOX-UHFFFAOYSA-N 2 2 326.444 2.373 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000657401254 471126680 /nfs/dbraw/zinc/12/66/80/471126680.db2.gz TWLJIEZOQSQYFU-PKOBYXMFSA-N 2 2 332.492 2.155 10 0 EEAELP CCN(CC)c1ccc(CNc2nc(N)[nH+]c3c2CCCC3)c[nH+]1 ZINC000645123962 471145838 /nfs/dbraw/zinc/14/58/38/471145838.db2.gz IKMPESBUIRJMGB-UHFFFAOYSA-N 2 2 326.448 2.213 10 0 EEAELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc3cccnc3o2)CC1 ZINC000648438823 471206954 /nfs/dbraw/zinc/20/69/54/471206954.db2.gz DFCBYOPNJIRCRK-UHFFFAOYSA-N 2 2 337.427 2.264 10 0 EEAELP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657826998 471238553 /nfs/dbraw/zinc/23/85/53/471238553.db2.gz KGWSTXCYGKIJOM-SFHVURJKSA-N 2 2 329.488 2.500 10 0 EEAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C(C)(C)C(F)F ZINC000658016456 471260075 /nfs/dbraw/zinc/26/00/75/471260075.db2.gz XVWWULDPBOKYGX-RLAWYHOSSA-N 2 2 331.451 2.339 10 0 EEAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C(C)(C)C(F)F ZINC000658016456 471260077 /nfs/dbraw/zinc/26/00/77/471260077.db2.gz XVWWULDPBOKYGX-RLAWYHOSSA-N 2 2 331.451 2.339 10 0 EEAELP CC(=O)NCc1ccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000658074554 471264675 /nfs/dbraw/zinc/26/46/75/471264675.db2.gz UDWQWUWEYHPJAT-UHFFFAOYSA-N 2 2 338.455 2.476 10 0 EEAELP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000658341945 471289818 /nfs/dbraw/zinc/28/98/18/471289818.db2.gz KYXJBOGICHOWFM-FXAWDEMLSA-N 2 2 341.503 2.370 10 0 EEAELP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000658341945 471289821 /nfs/dbraw/zinc/28/98/21/471289821.db2.gz KYXJBOGICHOWFM-FXAWDEMLSA-N 2 2 341.503 2.370 10 0 EEAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000652434160 471291106 /nfs/dbraw/zinc/29/11/06/471291106.db2.gz UDQZVPFBQMDGKG-UHFFFAOYSA-N 2 2 346.500 2.414 10 0 EEAELP [NH3+]CC1(CCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000652576868 471310110 /nfs/dbraw/zinc/31/01/10/471310110.db2.gz CFZBLTHVCSDHRS-UHFFFAOYSA-N 2 2 343.431 2.213 10 0 EEAELP CN(c1ccccc1C[NH2+]CC12CC(C1)C[NH2+]2)C1CC[NH+](C)CC1 ZINC000663498596 471401273 /nfs/dbraw/zinc/40/12/73/471401273.db2.gz QSTGVSMXPUIWTM-UHFFFAOYSA-N 3 2 328.504 2.059 10 0 EEAELP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655748029 471467389 /nfs/dbraw/zinc/46/73/89/471467389.db2.gz NBUYVAOALLNKON-RTBURBONSA-N 2 2 332.492 2.077 10 0 EEAELP C[N@@H+]1C[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[C@H](c2ccccc2)C1 ZINC000655779327 471479884 /nfs/dbraw/zinc/47/98/84/471479884.db2.gz IWGONWTZWTZGPM-GIVPXCGWSA-N 3 2 343.515 2.175 10 0 EEAELP C[N@H+]1C[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[C@H](c2ccccc2)C1 ZINC000655779327 471479886 /nfs/dbraw/zinc/47/98/86/471479886.db2.gz IWGONWTZWTZGPM-GIVPXCGWSA-N 3 2 343.515 2.175 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669552086 471547837 /nfs/dbraw/zinc/54/78/37/471547837.db2.gz WEUQDOFJKOOJTP-ONERCXAPSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669552086 471547841 /nfs/dbraw/zinc/54/78/41/471547841.db2.gz WEUQDOFJKOOJTP-ONERCXAPSA-N 2 2 342.846 2.261 10 0 EEAELP CC[C@@H](C)n1ncc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000666872055 471570041 /nfs/dbraw/zinc/57/00/41/471570041.db2.gz QVWSJPILIZVAHJ-CQSZACIVSA-N 2 2 338.500 2.168 10 0 EEAELP CC[C@@H](C)n1ncc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000666872055 471570048 /nfs/dbraw/zinc/57/00/48/471570048.db2.gz QVWSJPILIZVAHJ-CQSZACIVSA-N 2 2 338.500 2.168 10 0 EEAELP CN(C(=O)NCCCC(C)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656075400 471582636 /nfs/dbraw/zinc/58/26/36/471582636.db2.gz DNNGEILHRBOUFI-OAHLLOKOSA-N 2 2 346.466 2.232 10 0 EEAELP CN(C(=O)NCCCC(C)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656075400 471582640 /nfs/dbraw/zinc/58/26/40/471582640.db2.gz DNNGEILHRBOUFI-OAHLLOKOSA-N 2 2 346.466 2.232 10 0 EEAELP COc1c(C)[nH+]cnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000656155617 471610218 /nfs/dbraw/zinc/61/02/18/471610218.db2.gz ZDEUPPAZDKYWLG-UHFFFAOYSA-N 2 2 334.464 2.122 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc[nH+]cc2N(C)C)c1 ZINC000670078057 471670078 /nfs/dbraw/zinc/67/00/78/471670078.db2.gz UPJVBQXLRSMJGX-UHFFFAOYSA-N 2 2 341.459 2.343 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc[nH+]cc2N(C)C)c1 ZINC000670078057 471670084 /nfs/dbraw/zinc/67/00/84/471670084.db2.gz UPJVBQXLRSMJGX-UHFFFAOYSA-N 2 2 341.459 2.343 10 0 EEAELP CC(C)N(C)C(=O)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667531479 471812166 /nfs/dbraw/zinc/81/21/66/471812166.db2.gz ICJQBYLFZCGYJN-UHFFFAOYSA-N 2 2 341.459 2.346 10 0 EEAELP COCc1csc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000667602959 471839161 /nfs/dbraw/zinc/83/91/61/471839161.db2.gz TVWWWLOXMKAULP-KRWDZBQOSA-N 2 2 337.533 2.496 10 0 EEAELP COCc1csc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000667602959 471839164 /nfs/dbraw/zinc/83/91/64/471839164.db2.gz TVWWWLOXMKAULP-KRWDZBQOSA-N 2 2 337.533 2.496 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCCC(C)(C)F)([NH+]2CCCCC2)CC1 ZINC000661753626 471874175 /nfs/dbraw/zinc/87/41/75/471874175.db2.gz ZRFPFJHZXWRQRV-UHFFFAOYSA-N 2 2 342.503 2.374 10 0 EEAELP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@H](c1ccccc1)[NH+](C)C ZINC000664867625 471884648 /nfs/dbraw/zinc/88/46/48/471884648.db2.gz UBOHXZPUZUCITL-IJEWVQPXSA-N 2 2 329.448 2.472 10 0 EEAELP CC[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000661866448 471909748 /nfs/dbraw/zinc/90/97/48/471909748.db2.gz QMUPRJIRHJLYQD-WFFDWFOESA-N 2 2 334.508 2.127 10 0 EEAELP CC[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000661866448 471909751 /nfs/dbraw/zinc/90/97/51/471909751.db2.gz QMUPRJIRHJLYQD-WFFDWFOESA-N 2 2 334.508 2.127 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc(Cn3cc[nH+]c3)n2)O1 ZINC000665006726 471925286 /nfs/dbraw/zinc/92/52/86/471925286.db2.gz APXMEUXQAJSELC-ZBFHGGJFSA-N 2 2 339.399 2.276 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc(Cn3cc[nH+]c3)n2)O1 ZINC000665006726 471925291 /nfs/dbraw/zinc/92/52/91/471925291.db2.gz APXMEUXQAJSELC-ZBFHGGJFSA-N 2 2 339.399 2.276 10 0 EEAELP COc1ccccc1-c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)on1 ZINC000665300028 471995362 /nfs/dbraw/zinc/99/53/62/471995362.db2.gz WXIQHZOTTRBOCB-OALUTQOASA-N 2 2 343.427 2.207 10 0 EEAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@H]2C[NH2+]CCO2)CC1 ZINC000662262664 472048976 /nfs/dbraw/zinc/04/89/76/472048976.db2.gz IJYSZACBJBVVBZ-CRAIPNDOSA-N 2 2 339.430 2.022 10 0 EEAELP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000668688958 472229037 /nfs/dbraw/zinc/22/90/37/472229037.db2.gz UPKCNTNLFYPZSK-CYBMUJFWSA-N 2 2 333.461 2.122 10 0 EEAELP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000668688958 472229043 /nfs/dbraw/zinc/22/90/43/472229043.db2.gz UPKCNTNLFYPZSK-CYBMUJFWSA-N 2 2 333.461 2.122 10 0 EEAELP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000668740202 472246859 /nfs/dbraw/zinc/24/68/59/472246859.db2.gz GOXXTGOJTRBNGM-SFHVURJKSA-N 2 2 326.444 2.108 10 0 EEAELP O[C@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000668740202 472246864 /nfs/dbraw/zinc/24/68/64/472246864.db2.gz GOXXTGOJTRBNGM-SFHVURJKSA-N 2 2 326.444 2.108 10 0 EEAELP Fc1ccc([C@H]([NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)C2CC2)cc1 ZINC000678685521 485480880 /nfs/dbraw/zinc/48/08/80/485480880.db2.gz IIPCLZFZPKUDRD-VQTJNVASSA-N 2 2 347.478 2.273 10 0 EEAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678884188 485533925 /nfs/dbraw/zinc/53/39/25/485533925.db2.gz FGFMTTZJQWGYIO-SESVDKBCSA-N 2 2 343.515 2.446 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678884188 485533933 /nfs/dbraw/zinc/53/39/33/485533933.db2.gz FGFMTTZJQWGYIO-SESVDKBCSA-N 2 2 343.515 2.446 10 0 EEAELP C[C@H]1CC[NH+](Cc2ccccc2)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678884188 485533943 /nfs/dbraw/zinc/53/39/43/485533943.db2.gz FGFMTTZJQWGYIO-SESVDKBCSA-N 2 2 343.515 2.446 10 0 EEAELP C[C@H]1CC[NH+](Cc2ccccc2)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678884188 485533949 /nfs/dbraw/zinc/53/39/49/485533949.db2.gz FGFMTTZJQWGYIO-SESVDKBCSA-N 2 2 343.515 2.446 10 0 EEAELP CCC(=O)Nc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000665593112 485611380 /nfs/dbraw/zinc/61/13/80/485611380.db2.gz NULLSMBZXKOTNW-UHFFFAOYSA-N 2 2 349.479 2.040 10 0 EEAELP CCC(=O)Nc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000665593112 485611386 /nfs/dbraw/zinc/61/13/86/485611386.db2.gz NULLSMBZXKOTNW-UHFFFAOYSA-N 2 2 349.479 2.040 10 0 EEAELP C[N@@H+](Cc1ccc(I)cc1)CC1C[NH+](C)C1 ZINC000597205484 485615921 /nfs/dbraw/zinc/61/59/21/485615921.db2.gz KVZCQHAMRHPQFZ-UHFFFAOYSA-N 2 2 330.213 2.285 10 0 EEAELP C[N@H+](Cc1ccc(I)cc1)CC1C[NH+](C)C1 ZINC000597205484 485615929 /nfs/dbraw/zinc/61/59/29/485615929.db2.gz KVZCQHAMRHPQFZ-UHFFFAOYSA-N 2 2 330.213 2.285 10 0 EEAELP COc1cccc(-c2noc([C@H](C)[NH2+]CCc3c[nH+]cn3C)n2)c1 ZINC000298441306 485627106 /nfs/dbraw/zinc/62/71/06/485627106.db2.gz NNQPKQRASYQJPP-LBPRGKRZSA-N 2 2 327.388 2.372 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc[nH+]1 ZINC000684021668 485728121 /nfs/dbraw/zinc/72/81/21/485728121.db2.gz RJHOXSFQRHQEBS-UHFFFAOYSA-N 2 2 336.443 2.346 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000671625893 485954152 /nfs/dbraw/zinc/95/41/52/485954152.db2.gz PIEVSPBBSRXTSR-YVEFUNNKSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000671625893 485954158 /nfs/dbraw/zinc/95/41/58/485954158.db2.gz PIEVSPBBSRXTSR-YVEFUNNKSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000671624639 485954880 /nfs/dbraw/zinc/95/48/80/485954880.db2.gz DVCRYXKPPRZBAT-GJZGRUSLSA-N 2 2 342.443 2.498 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H](CCO)C1 ZINC000671624639 485954885 /nfs/dbraw/zinc/95/48/85/485954885.db2.gz DVCRYXKPPRZBAT-GJZGRUSLSA-N 2 2 342.443 2.498 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(F)(F)F)OC[C@@H]2C)CC1 ZINC000671710249 485980207 /nfs/dbraw/zinc/98/02/07/485980207.db2.gz ZPODKUWONBFRRU-LSDHHAIUSA-N 2 2 337.430 2.054 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C(F)(F)F)OC[C@@H]2C)CC1 ZINC000671710249 485980214 /nfs/dbraw/zinc/98/02/14/485980214.db2.gz ZPODKUWONBFRRU-LSDHHAIUSA-N 2 2 337.430 2.054 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@H](C)C1 ZINC000411429298 527819669 /nfs/dbraw/zinc/81/96/69/527819669.db2.gz WVAKWGVAFOCEJF-CJNGLKHVSA-N 2 2 346.475 2.134 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@H](C)C1 ZINC000411429298 527819676 /nfs/dbraw/zinc/81/96/76/527819676.db2.gz WVAKWGVAFOCEJF-CJNGLKHVSA-N 2 2 346.475 2.134 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133180285 528813527 /nfs/dbraw/zinc/81/35/27/528813527.db2.gz UBQQDAYQOZKGOO-NVXWUHKLSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133180285 528813532 /nfs/dbraw/zinc/81/35/32/528813532.db2.gz UBQQDAYQOZKGOO-NVXWUHKLSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133180285 528813535 /nfs/dbraw/zinc/81/35/35/528813535.db2.gz UBQQDAYQOZKGOO-NVXWUHKLSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133180285 528813540 /nfs/dbraw/zinc/81/35/40/528813540.db2.gz UBQQDAYQOZKGOO-NVXWUHKLSA-N 2 2 325.403 2.166 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000446964626 536053426 /nfs/dbraw/zinc/05/34/26/536053426.db2.gz BKHNQCWMKAQYOM-UHFFFAOYSA-N 2 2 346.378 2.499 10 0 EEAELP C[N@H+](CC(=O)O[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000774071974 577381675 /nfs/dbraw/zinc/38/16/75/577381675.db2.gz QFTFMHIYRRVCGE-DLBZAZTESA-N 2 2 334.485 2.241 10 0 EEAELP C[N@@H+](CC(=O)O[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000774071974 577381676 /nfs/dbraw/zinc/38/16/76/577381676.db2.gz QFTFMHIYRRVCGE-DLBZAZTESA-N 2 2 334.485 2.241 10 0 EEAELP C[NH+](CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000774071974 577381678 /nfs/dbraw/zinc/38/16/78/577381678.db2.gz QFTFMHIYRRVCGE-DLBZAZTESA-N 2 2 334.485 2.241 10 0 EEAELP C[NH+](CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000774071974 577381680 /nfs/dbraw/zinc/38/16/80/577381680.db2.gz QFTFMHIYRRVCGE-DLBZAZTESA-N 2 2 334.485 2.241 10 0 EEAELP CCCCSCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000756124129 577838842 /nfs/dbraw/zinc/83/88/42/577838842.db2.gz FOKZTWKYFFRJOQ-SJPCQFCGSA-N 2 2 339.549 2.289 10 0 EEAELP CCCCSCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000756124129 577838843 /nfs/dbraw/zinc/83/88/43/577838843.db2.gz FOKZTWKYFFRJOQ-SJPCQFCGSA-N 2 2 339.549 2.289 10 0 EEAELP C[NH+](C)CC[C@@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccnc1 ZINC000914308225 683485068 /nfs/dbraw/zinc/48/50/68/683485068.db2.gz OEGMUUPCUPFBAK-QGZVFWFLSA-N 2 2 344.463 2.051 10 0 EEAELP O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccncc2)CCC[NH2+]CCN1 ZINC000257194640 684168519 /nfs/dbraw/zinc/16/85/19/684168519.db2.gz ULCJPIMGAJOLSE-LJQANCHMSA-N 2 2 338.455 2.125 10 0 EEAELP O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccncc2)CCC[NH2+]CCN1 ZINC000257194640 684168522 /nfs/dbraw/zinc/16/85/22/684168522.db2.gz ULCJPIMGAJOLSE-LJQANCHMSA-N 2 2 338.455 2.125 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000895459970 684608139 /nfs/dbraw/zinc/60/81/39/684608139.db2.gz CUQARRXJHCTXSP-GUYCJALGSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000895459970 684608141 /nfs/dbraw/zinc/60/81/41/684608141.db2.gz CUQARRXJHCTXSP-GUYCJALGSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000895459970 684608142 /nfs/dbraw/zinc/60/81/42/684608142.db2.gz CUQARRXJHCTXSP-GUYCJALGSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000895459970 684608144 /nfs/dbraw/zinc/60/81/44/684608144.db2.gz CUQARRXJHCTXSP-GUYCJALGSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)[nH]c1C ZINC000895558832 684642084 /nfs/dbraw/zinc/64/20/84/684642084.db2.gz XKFDICDLGJTYBB-CYBMUJFWSA-N 2 2 328.416 2.215 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)[nH]c1C ZINC000895558832 684642086 /nfs/dbraw/zinc/64/20/86/684642086.db2.gz XKFDICDLGJTYBB-CYBMUJFWSA-N 2 2 328.416 2.215 10 0 EEAELP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000898811385 693465871 /nfs/dbraw/zinc/46/58/71/693465871.db2.gz SMOSNPYYMIPAFL-RDJZCZTQSA-N 2 2 328.416 2.192 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)NCC(C)(C)n2cc[nH+]c2)CC1 ZINC000898904032 693520485 /nfs/dbraw/zinc/52/04/85/693520485.db2.gz OKMYQTAHVSEOHA-UHFFFAOYSA-N 2 2 341.459 2.354 10 0 EEAELP Cc1csc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001266247416 1176018888 /nfs/dbraw/zinc/01/88/88/1176018888.db2.gz LMOFMQINBFMLCB-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1csc(C[N@H+]2CCC[C@H]2CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001266247416 1176018896 /nfs/dbraw/zinc/01/88/96/1176018896.db2.gz LMOFMQINBFMLCB-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP C[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC[C@@H]1CCCC1(F)F ZINC001480871347 1176448505 /nfs/dbraw/zinc/44/85/05/1176448505.db2.gz IOSSBDYHQYSLRT-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)CC[C@@H]1CCCC1(F)F ZINC001480871347 1176448511 /nfs/dbraw/zinc/44/85/11/1176448511.db2.gz IOSSBDYHQYSLRT-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC[C@@H]1CCCC1(F)F ZINC001480871347 1176448514 /nfs/dbraw/zinc/44/85/14/1176448514.db2.gz IOSSBDYHQYSLRT-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)CC[C@@H]1CCCC1(F)F ZINC001480871347 1176448519 /nfs/dbraw/zinc/44/85/19/1176448519.db2.gz IOSSBDYHQYSLRT-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1cc(F)ccc1F ZINC001480874664 1176547561 /nfs/dbraw/zinc/54/75/61/1176547561.db2.gz JIRGMSYHCNVXGY-INIZCTEOSA-N 2 2 339.430 2.387 10 0 EEAELP C[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1cc(F)ccc1F ZINC001480874664 1176547571 /nfs/dbraw/zinc/54/75/71/1176547571.db2.gz JIRGMSYHCNVXGY-INIZCTEOSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)Cc1cc(F)ccc1F ZINC001480874664 1176547580 /nfs/dbraw/zinc/54/75/80/1176547580.db2.gz JIRGMSYHCNVXGY-INIZCTEOSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)Cc1cc(F)ccc1F ZINC001480874664 1176547585 /nfs/dbraw/zinc/54/75/85/1176547585.db2.gz JIRGMSYHCNVXGY-INIZCTEOSA-N 2 2 339.430 2.387 10 0 EEAELP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001670575628 1176920332 /nfs/dbraw/zinc/92/03/32/1176920332.db2.gz NEERESACSSEQFO-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001670575628 1176920341 /nfs/dbraw/zinc/92/03/41/1176920341.db2.gz NEERESACSSEQFO-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001266641889 1177042284 /nfs/dbraw/zinc/04/22/84/1177042284.db2.gz SWGOHVNIGIZNCS-QAQDUYKDSA-N 2 2 346.862 2.406 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001266748484 1177343006 /nfs/dbraw/zinc/34/30/06/1177343006.db2.gz GBYFQURVUQCRQP-SFHVURJKSA-N 2 2 340.471 2.126 10 0 EEAELP CN(CC[NH2+]Cc1cccc(C(F)(F)F)c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001266910937 1177782721 /nfs/dbraw/zinc/78/27/21/1177782721.db2.gz CAZVGSJLMOPLSJ-UHFFFAOYSA-N 2 2 340.349 2.219 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)CCc1c[nH]c[nH+]1 ZINC001691340508 1177935679 /nfs/dbraw/zinc/93/56/79/1177935679.db2.gz GZJTXXOONCFDBD-UHFFFAOYSA-N 2 2 326.444 2.468 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001691340508 1177935684 /nfs/dbraw/zinc/93/56/84/1177935684.db2.gz GZJTXXOONCFDBD-UHFFFAOYSA-N 2 2 326.444 2.468 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)CCc2[nH+]ccn2C)c(C)c1 ZINC001691406600 1178018582 /nfs/dbraw/zinc/01/85/82/1178018582.db2.gz WOAJRNRVPLDHFG-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCCc1ccccc1Cl ZINC001266985773 1178041499 /nfs/dbraw/zinc/04/14/99/1178041499.db2.gz PVSIWGBEJGUHLU-CQSZACIVSA-N 2 2 348.878 2.343 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1cccc(Cl)c1F ZINC001267017046 1178097942 /nfs/dbraw/zinc/09/79/42/1178097942.db2.gz DVVSPAMANBEJEW-UHFFFAOYSA-N 2 2 338.814 2.301 10 0 EEAELP C[N@H+](CCCCC(F)(F)F)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267595087 1179595879 /nfs/dbraw/zinc/59/58/79/1179595879.db2.gz APRDKTBJPIIHNM-AWEZNQCLSA-N 2 2 346.397 2.396 10 0 EEAELP C[N@@H+](CCCCC(F)(F)F)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267595087 1179595886 /nfs/dbraw/zinc/59/58/86/1179595886.db2.gz APRDKTBJPIIHNM-AWEZNQCLSA-N 2 2 346.397 2.396 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001481121448 1179810255 /nfs/dbraw/zinc/81/02/55/1179810255.db2.gz APHAWJXKSGYCLA-QGZVFWFLSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001481121448 1179810265 /nfs/dbraw/zinc/81/02/65/1179810265.db2.gz APHAWJXKSGYCLA-QGZVFWFLSA-N 2 2 330.476 2.291 10 0 EEAELP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001267758595 1180426945 /nfs/dbraw/zinc/42/69/45/1180426945.db2.gz NSFXLXCWWLPCKZ-AATRIKPKSA-N 2 2 332.492 2.489 10 0 EEAELP CC/C=C/CC[N@@H+](C)CC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001267758595 1180426953 /nfs/dbraw/zinc/42/69/53/1180426953.db2.gz NSFXLXCWWLPCKZ-AATRIKPKSA-N 2 2 332.492 2.489 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)C12CCC[NH+]1CCC2 ZINC001481251060 1180470295 /nfs/dbraw/zinc/47/02/95/1180470295.db2.gz AZAGVMHNBDKTKU-UHFFFAOYSA-N 2 2 348.491 2.149 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1F ZINC001481281351 1180783567 /nfs/dbraw/zinc/78/35/67/1180783567.db2.gz LEWNCEJLDUFPBH-HZPDHXFCSA-N 2 2 344.434 2.219 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001267965244 1180863527 /nfs/dbraw/zinc/86/35/27/1180863527.db2.gz ZBMXLAAIVWVUQM-LJQANCHMSA-N 2 2 340.471 2.474 10 0 EEAELP C[N@H+](CC(=O)NC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)Cc1ccccc1 ZINC001481606017 1181856073 /nfs/dbraw/zinc/85/60/73/1181856073.db2.gz JLQIWSFADHNDRI-QRVBRYPASA-N 2 2 341.499 2.355 10 0 EEAELP C[N@@H+](CC(=O)NC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1)Cc1ccccc1 ZINC001481606017 1181856077 /nfs/dbraw/zinc/85/60/77/1181856077.db2.gz JLQIWSFADHNDRI-QRVBRYPASA-N 2 2 341.499 2.355 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)oc1C ZINC001268159709 1181872063 /nfs/dbraw/zinc/87/20/63/1181872063.db2.gz DBFFTLUPSTVJFW-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C[NH2+]CCC1CC1 ZINC001268187923 1181977132 /nfs/dbraw/zinc/97/71/32/1181977132.db2.gz GTDKVJQBFLXIHI-NVXWUHKLSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](CC[NH2+]Cc1nsc2ccccc12)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268412002 1182553351 /nfs/dbraw/zinc/55/33/51/1182553351.db2.gz SSPGZYRIRVGGIO-GFCCVEGCSA-N 2 2 343.456 2.247 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)Cn1cc[nH+]c1 ZINC001268431210 1182603334 /nfs/dbraw/zinc/60/33/34/1182603334.db2.gz MHTWWHJIHLAJDV-LLVKDONJSA-N 2 2 326.853 2.283 10 0 EEAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ncccc1C ZINC001481855771 1182814780 /nfs/dbraw/zinc/81/47/80/1182814780.db2.gz UEXUZTKDILUEBZ-HOTGVXAUSA-N 2 2 329.448 2.222 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]Cc2cncs2)CCCC1 ZINC001481909894 1182931414 /nfs/dbraw/zinc/93/14/14/1182931414.db2.gz QAZRTDUMQCCFDU-CYBMUJFWSA-N 2 2 347.488 2.264 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]Cc2cncs2)CCCC1 ZINC001481909894 1182931417 /nfs/dbraw/zinc/93/14/17/1182931417.db2.gz QAZRTDUMQCCFDU-CYBMUJFWSA-N 2 2 347.488 2.264 10 0 EEAELP C[C@@](C[NH2+]C[C@@H]1CC(C)(C)CO1)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001481930191 1182975742 /nfs/dbraw/zinc/97/57/42/1182975742.db2.gz KCVQNANZXNBEEQ-LPHOPBHVSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@@](C[NH2+]C[C@@H]1CC(C)(C)CO1)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001481930191 1182975746 /nfs/dbraw/zinc/97/57/46/1182975746.db2.gz KCVQNANZXNBEEQ-LPHOPBHVSA-N 2 2 348.491 2.032 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)Cn1cc[nH+]c1 ZINC001268502759 1183050403 /nfs/dbraw/zinc/05/04/03/1183050403.db2.gz SSWDQTZXOAZTMQ-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCCC2CCOCC2)CC1 ZINC001482022944 1183142230 /nfs/dbraw/zinc/14/22/30/1183142230.db2.gz PYNQEMCQKBGPIU-QAQDUYKDSA-N 2 2 348.491 2.176 10 0 EEAELP CO[C@@H](C[NH2+]C[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001482121588 1183358585 /nfs/dbraw/zinc/35/85/85/1183358585.db2.gz OEDKGDCWYFKQDO-PBHICJAKSA-N 2 2 344.459 2.105 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001268656621 1183585515 /nfs/dbraw/zinc/58/55/15/1183585515.db2.gz QJGQWXZNIHTTDL-SJLPKXTDSA-N 2 2 340.471 2.488 10 0 EEAELP C[C@@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268707539 1183629291 /nfs/dbraw/zinc/62/92/91/1183629291.db2.gz FLGKGJMXDBCFGY-NSHDSACASA-N 2 2 338.814 2.082 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC001269951442 1184739403 /nfs/dbraw/zinc/73/94/03/1184739403.db2.gz JYRXOTGHSOOYCK-UHFFFAOYSA-N 2 2 326.444 2.302 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001271120448 1185915349 /nfs/dbraw/zinc/91/53/49/1185915349.db2.gz HETMLQPYBYOWAA-HNNXBMFYSA-N 2 2 328.460 2.194 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001271503637 1186274729 /nfs/dbraw/zinc/27/47/29/1186274729.db2.gz AQVCIZPGDUGHMJ-IAGOWNOFSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001271503637 1186274733 /nfs/dbraw/zinc/27/47/33/1186274733.db2.gz AQVCIZPGDUGHMJ-IAGOWNOFSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001271503639 1186275204 /nfs/dbraw/zinc/27/52/04/1186275204.db2.gz AQVCIZPGDUGHMJ-SJORKVTESA-N 2 2 339.524 2.114 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001271503639 1186275207 /nfs/dbraw/zinc/27/52/07/1186275207.db2.gz AQVCIZPGDUGHMJ-SJORKVTESA-N 2 2 339.524 2.114 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCCn2cc[nH+]c2)o1 ZINC001482699635 1187677287 /nfs/dbraw/zinc/67/72/87/1187677287.db2.gz URZIZXYWDGOQTG-WBVHZDCISA-N 2 2 345.447 2.034 10 0 EEAELP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482934348 1187854187 /nfs/dbraw/zinc/85/41/87/1187854187.db2.gz CHNHPFCIVSVWCN-MRXNPFEDSA-N 2 2 346.500 2.454 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482935975 1187856561 /nfs/dbraw/zinc/85/65/61/1187856561.db2.gz PCIOXWQRTYBIMX-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+]Cc1ccc(F)c(F)c1 ZINC001483017641 1188003862 /nfs/dbraw/zinc/00/38/62/1188003862.db2.gz POTVCSNSUJVJKG-UPHRSURJSA-N 2 2 334.370 2.083 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001691555608 1188258101 /nfs/dbraw/zinc/25/81/01/1188258101.db2.gz HOVVKLUBQDSQMH-JXMROGBWSA-N 2 2 326.444 2.449 10 0 EEAELP C[C@@H](CC(=O)NC/C=C\C[NH2+]CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001483064348 1188385826 /nfs/dbraw/zinc/38/58/26/1188385826.db2.gz BEEYACWUESRTJK-ZRMMWKCHSA-N 2 2 326.391 2.142 10 0 EEAELP CCOCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001691633148 1189327465 /nfs/dbraw/zinc/32/74/65/1189327465.db2.gz XFMCKJHKTQUAPN-IRXDYDNUSA-N 2 2 336.480 2.232 10 0 EEAELP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001409371867 1189592798 /nfs/dbraw/zinc/59/27/98/1189592798.db2.gz KOYAWUYSOBRMCA-ZIAGYGMSSA-N 2 2 346.475 2.163 10 0 EEAELP CCc1ccccc1CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409414181 1189645263 /nfs/dbraw/zinc/64/52/63/1189645263.db2.gz YRIPMAPBUJIKJB-LSDHHAIUSA-N 2 2 328.460 2.240 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC/C=C/c1ccccc1 ZINC001409689608 1190191157 /nfs/dbraw/zinc/19/11/57/1190191157.db2.gz HYJJCJKWHAYKEI-DKISHCGFSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC/C=C/c1ccccc1 ZINC001409689608 1190191160 /nfs/dbraw/zinc/19/11/60/1190191160.db2.gz HYJJCJKWHAYKEI-DKISHCGFSA-N 2 2 326.444 2.423 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483353598 1190390227 /nfs/dbraw/zinc/39/02/27/1190390227.db2.gz MJYCGCJHRBSVMQ-LLVKDONJSA-N 2 2 327.388 2.110 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483353598 1190390233 /nfs/dbraw/zinc/39/02/33/1190390233.db2.gz MJYCGCJHRBSVMQ-LLVKDONJSA-N 2 2 327.388 2.110 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001483441449 1190481991 /nfs/dbraw/zinc/48/19/91/1190481991.db2.gz ADMHSVRFWHUCHC-DOTOQJQBSA-N 2 2 348.491 2.094 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001483495328 1190512155 /nfs/dbraw/zinc/51/21/55/1190512155.db2.gz WRMXIHXEFFFYDD-UHFFFAOYSA-N 2 2 334.851 2.286 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001483849284 1191085010 /nfs/dbraw/zinc/08/50/10/1191085010.db2.gz SMSMKUCTNDNLFF-GLNPCMGASA-N 2 2 334.291 2.182 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001483849284 1191085014 /nfs/dbraw/zinc/08/50/14/1191085014.db2.gz SMSMKUCTNDNLFF-GLNPCMGASA-N 2 2 334.291 2.182 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(F)c2F)C1 ZINC001484071556 1191191925 /nfs/dbraw/zinc/19/19/25/1191191925.db2.gz PUQAPTHCTOUSMZ-SFHVURJKSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(F)c2F)C1 ZINC001484071556 1191191929 /nfs/dbraw/zinc/19/19/29/1191191929.db2.gz PUQAPTHCTOUSMZ-SFHVURJKSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(F)c2F)C1 ZINC001484071556 1191191932 /nfs/dbraw/zinc/19/19/32/1191191932.db2.gz PUQAPTHCTOUSMZ-SFHVURJKSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC001484071556 1191191934 /nfs/dbraw/zinc/19/19/34/1191191934.db2.gz PUQAPTHCTOUSMZ-SFHVURJKSA-N 2 2 339.430 2.386 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@H+](C)Cc2ocnc2C)c[nH+]1 ZINC001484746655 1191497331 /nfs/dbraw/zinc/49/73/31/1191497331.db2.gz ATNDKFNAYYFSBZ-UHFFFAOYSA-N 2 2 347.463 2.204 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc2ocnc2C)c[nH+]1 ZINC001484746655 1191497332 /nfs/dbraw/zinc/49/73/32/1191497332.db2.gz ATNDKFNAYYFSBZ-UHFFFAOYSA-N 2 2 347.463 2.204 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccc(F)cc1F)C(=O)Cn1cc[nH+]c1 ZINC001484769852 1191513288 /nfs/dbraw/zinc/51/32/88/1191513288.db2.gz OBABUWHMCRRGRG-UHFFFAOYSA-N 2 2 336.386 2.142 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccc(F)cc1F)C(=O)Cn1cc[nH+]c1 ZINC001484769852 1191513290 /nfs/dbraw/zinc/51/32/90/1191513290.db2.gz OBABUWHMCRRGRG-UHFFFAOYSA-N 2 2 336.386 2.142 10 0 EEAELP CC[C@@H](C)C[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001484865384 1191551143 /nfs/dbraw/zinc/55/11/43/1191551143.db2.gz GXEPNBQDPIQUSO-CQSZACIVSA-N 2 2 344.459 2.478 10 0 EEAELP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485055771 1191628409 /nfs/dbraw/zinc/62/84/09/1191628409.db2.gz MFLGNNLHZWMGBW-KRWDZBQOSA-N 2 2 332.492 2.485 10 0 EEAELP CCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485055771 1191628410 /nfs/dbraw/zinc/62/84/10/1191628410.db2.gz MFLGNNLHZWMGBW-KRWDZBQOSA-N 2 2 332.492 2.485 10 0 EEAELP Cc1ccncc1C[NH2+]CC1CC(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001485104729 1191656067 /nfs/dbraw/zinc/65/60/67/1191656067.db2.gz BWVNHBRMKHAPOQ-HJOIGYKYSA-N 2 2 341.459 2.222 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001485216069 1191688943 /nfs/dbraw/zinc/68/89/43/1191688943.db2.gz OOQLHTCNFSONQB-GHMZBOCLSA-N 2 2 340.880 2.361 10 0 EEAELP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCCF ZINC001485434214 1191783569 /nfs/dbraw/zinc/78/35/69/1191783569.db2.gz KHWOOHMHMQKOJT-WBVHZDCISA-N 2 2 338.471 2.268 10 0 EEAELP CCCC[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485464975 1191795005 /nfs/dbraw/zinc/79/50/05/1191795005.db2.gz DECMEICHRURKJS-FEDKZRLMSA-N 2 2 338.883 2.463 10 0 EEAELP CC[C@H](F)C[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001486406043 1193930545 /nfs/dbraw/zinc/93/05/45/1193930545.db2.gz RSZKRGMNGHCGOS-KBPBESRZSA-N 2 2 326.460 2.221 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)o1 ZINC001410015512 1197226362 /nfs/dbraw/zinc/22/63/62/1197226362.db2.gz IUDSQMODMKVVKF-CABCVRRESA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)o1 ZINC001410015512 1197226363 /nfs/dbraw/zinc/22/63/63/1197226363.db2.gz IUDSQMODMKVVKF-CABCVRRESA-N 2 2 348.491 2.355 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H](C[NH2+]Cc1cncs1)C1CC1)n1cc[nH+]c1 ZINC001410308392 1197670949 /nfs/dbraw/zinc/67/09/49/1197670949.db2.gz JAOSEIGPKWUOAY-BBRMVZONSA-N 2 2 347.488 2.318 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1CCCN(c3ccccc3Cl)C1=O)C2 ZINC000872153318 1198059879 /nfs/dbraw/zinc/05/98/79/1198059879.db2.gz IPDCQIAGAAFPOI-FDQGKXFDSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CCCN(c3ccccc3Cl)C1=O)C2 ZINC000872153318 1198059886 /nfs/dbraw/zinc/05/98/86/1198059886.db2.gz IPDCQIAGAAFPOI-FDQGKXFDSA-N 2 2 333.863 2.377 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884470698 1202322468 /nfs/dbraw/zinc/32/24/68/1202322468.db2.gz XTNGAJXQSGOGRA-QUCCMNQESA-N 2 2 348.450 2.341 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884470698 1202322471 /nfs/dbraw/zinc/32/24/71/1202322471.db2.gz XTNGAJXQSGOGRA-QUCCMNQESA-N 2 2 348.450 2.341 10 0 EEAELP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001279184138 1204393880 /nfs/dbraw/zinc/39/38/80/1204393880.db2.gz USLLCFXMJIVHJM-QVOWHETESA-N 2 2 332.492 2.393 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1cccc(C(F)F)c1 ZINC001274630445 1205105616 /nfs/dbraw/zinc/10/56/16/1205105616.db2.gz FDBFDXUOYSFTEO-UPHRSURJSA-N 2 2 334.370 2.283 10 0 EEAELP CCCCC[NH+]1CCC(CO)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001274916134 1205204691 /nfs/dbraw/zinc/20/46/91/1205204691.db2.gz BFFFXFGVZXBLFT-UHFFFAOYSA-N 2 2 344.459 2.081 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[N@@H+]1CCc2ccccc2C1 ZINC000924644298 1206009762 /nfs/dbraw/zinc/00/97/62/1206009762.db2.gz USCMRZFNQDEOEP-RTWAWAEBSA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CC1)C1CCOCC1)C[N@H+]1CCc2ccccc2C1 ZINC000924644298 1206009765 /nfs/dbraw/zinc/00/97/65/1206009765.db2.gz USCMRZFNQDEOEP-RTWAWAEBSA-N 2 2 344.499 2.200 10 0 EEAELP Brc1cccc2c1C[C@H]([NH2+][C@H]1[C@@H]3[NH2+]C[C@@H]4C[C@H]1C[C@@H]43)CO2 ZINC000925730232 1206147455 /nfs/dbraw/zinc/14/74/55/1206147455.db2.gz UYXFRNXZIKPXLJ-FDJUTITPSA-N 2 2 349.272 2.339 10 0 EEAELP Cc1nnsc1[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000930130661 1206536486 /nfs/dbraw/zinc/53/64/86/1206536486.db2.gz RSPIGFFIZNHKTG-HNNXBMFYSA-N 2 2 337.537 2.398 10 0 EEAELP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1C ZINC000931512716 1207401992 /nfs/dbraw/zinc/40/19/92/1207401992.db2.gz SGQWQADHXYJXKQ-INIZCTEOSA-N 2 2 341.455 2.387 10 0 EEAELP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)c1C ZINC000931512716 1207401994 /nfs/dbraw/zinc/40/19/94/1207401994.db2.gz SGQWQADHXYJXKQ-INIZCTEOSA-N 2 2 341.455 2.387 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741289 1207831871 /nfs/dbraw/zinc/83/18/71/1207831871.db2.gz SYXJJFNSNASNCC-SKDZVZGDSA-N 2 2 333.863 2.329 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741289 1207831872 /nfs/dbraw/zinc/83/18/72/1207831872.db2.gz SYXJJFNSNASNCC-SKDZVZGDSA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741289 1207831874 /nfs/dbraw/zinc/83/18/74/1207831874.db2.gz SYXJJFNSNASNCC-SKDZVZGDSA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741289 1207831876 /nfs/dbraw/zinc/83/18/76/1207831876.db2.gz SYXJJFNSNASNCC-SKDZVZGDSA-N 2 2 333.863 2.329 10 0 EEAELP Nc1[nH+]ccc2c1CN(C(=O)c1ccc(NC3=[NH+]CCC3)cc1)CC2 ZINC001413381365 1236005749 /nfs/dbraw/zinc/00/57/49/1236005749.db2.gz VVRQDFYOOTWCTI-UHFFFAOYSA-N 2 2 335.411 2.467 10 0 EEAELP CC1(C)C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1[NH3+] ZINC000903552134 1240910832 /nfs/dbraw/zinc/91/08/32/1240910832.db2.gz AMEUSPVGYIQGGL-ZDUSSCGKSA-N 2 2 340.265 2.447 10 0 EEAELP CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1[NH3+] ZINC000903552134 1240910837 /nfs/dbraw/zinc/91/08/37/1240910837.db2.gz AMEUSPVGYIQGGL-ZDUSSCGKSA-N 2 2 340.265 2.447 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001491024623 1258581915 /nfs/dbraw/zinc/58/19/15/1258581915.db2.gz MCTLBZXPQUXEAQ-CALCHBBNSA-N 2 2 330.407 2.227 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001491024623 1258581919 /nfs/dbraw/zinc/58/19/19/1258581919.db2.gz MCTLBZXPQUXEAQ-CALCHBBNSA-N 2 2 330.407 2.227 10 0 EEAELP CC(C)OCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491226003 1258810841 /nfs/dbraw/zinc/81/08/41/1258810841.db2.gz KNSOEUCLQXSJIM-DLBZAZTESA-N 2 2 336.480 2.230 10 0 EEAELP CC(C)OCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491226003 1258810847 /nfs/dbraw/zinc/81/08/47/1258810847.db2.gz KNSOEUCLQXSJIM-DLBZAZTESA-N 2 2 336.480 2.230 10 0 EEAELP CCO[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001491233779 1258819745 /nfs/dbraw/zinc/81/97/45/1258819745.db2.gz GISYTFRQACHTLZ-AEFFLSMTSA-N 2 2 348.491 2.046 10 0 EEAELP CCO[C@@H](C[N@H+]1CCCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001491233779 1258819749 /nfs/dbraw/zinc/81/97/49/1258819749.db2.gz GISYTFRQACHTLZ-AEFFLSMTSA-N 2 2 348.491 2.046 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001491478070 1259127957 /nfs/dbraw/zinc/12/79/57/1259127957.db2.gz YCURIUCMZSGVTJ-GHMZBOCLSA-N 2 2 333.263 2.021 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001491478070 1259127963 /nfs/dbraw/zinc/12/79/63/1259127963.db2.gz YCURIUCMZSGVTJ-GHMZBOCLSA-N 2 2 333.263 2.021 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]Cc1cscn1 ZINC001410513064 1277969428 /nfs/dbraw/zinc/96/94/28/1277969428.db2.gz OSTRSIHEMYTYGE-PBHICJAKSA-N 2 2 346.500 2.383 10 0 EEAELP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccn1)[NH+]1CCCCCC1 ZINC001488666823 1290118740 /nfs/dbraw/zinc/11/87/40/1290118740.db2.gz HFZNKOXOTYGNDE-HKUYNNGSSA-N 2 2 344.503 2.379 10 0 EEAELP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccn1)[NH+]1CCCCCC1 ZINC001488666823 1290118744 /nfs/dbraw/zinc/11/87/44/1290118744.db2.gz HFZNKOXOTYGNDE-HKUYNNGSSA-N 2 2 344.503 2.379 10 0 EEAELP O=C(NCCC[N@H+](CC1CC1)C1CC1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001490382561 1291268145 /nfs/dbraw/zinc/26/81/45/1291268145.db2.gz FOLPTNCTARTSIR-IBGZPJMESA-N 2 2 349.519 2.011 10 0 EEAELP O=C(NCCC[N@@H+](CC1CC1)C1CC1)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001490382561 1291268151 /nfs/dbraw/zinc/26/81/51/1291268151.db2.gz FOLPTNCTARTSIR-IBGZPJMESA-N 2 2 349.519 2.011 10 0 EEAELP O=C(NCCC[NH+](CC1CC1)C1CC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001490382561 1291268153 /nfs/dbraw/zinc/26/81/53/1291268153.db2.gz FOLPTNCTARTSIR-IBGZPJMESA-N 2 2 349.519 2.011 10 0 EEAELP O=C(NCCC[NH+](CC1CC1)C1CC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001490382561 1291268157 /nfs/dbraw/zinc/26/81/57/1291268157.db2.gz FOLPTNCTARTSIR-IBGZPJMESA-N 2 2 349.519 2.011 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490549584 1291422933 /nfs/dbraw/zinc/42/29/33/1291422933.db2.gz XQZNYWQKYXQRFH-INIZCTEOSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001490549584 1291422941 /nfs/dbraw/zinc/42/29/41/1291422941.db2.gz XQZNYWQKYXQRFH-INIZCTEOSA-N 2 2 344.459 2.430 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cncc2ccccc21 ZINC000855414530 1293207747 /nfs/dbraw/zinc/20/77/47/1293207747.db2.gz GHVQXEZFNFZVJX-UHFFFAOYSA-N 2 2 342.487 2.167 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cncc2ccccc21 ZINC000855414530 1293207754 /nfs/dbraw/zinc/20/77/54/1293207754.db2.gz GHVQXEZFNFZVJX-UHFFFAOYSA-N 2 2 342.487 2.167 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857867694 1293936314 /nfs/dbraw/zinc/93/63/14/1293936314.db2.gz IJPPWMZISPOPHS-INIZCTEOSA-N 2 2 329.448 2.302 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857867694 1293936319 /nfs/dbraw/zinc/93/63/19/1293936319.db2.gz IJPPWMZISPOPHS-INIZCTEOSA-N 2 2 329.448 2.302 10 0 EEAELP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858324120 1294082995 /nfs/dbraw/zinc/08/29/95/1294082995.db2.gz RYQQWXSZWPDXSE-WBVHZDCISA-N 2 2 331.460 2.182 10 0 EEAELP CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858324120 1294082999 /nfs/dbraw/zinc/08/29/99/1294082999.db2.gz RYQQWXSZWPDXSE-WBVHZDCISA-N 2 2 331.460 2.182 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2S(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000926906040 1296958846 /nfs/dbraw/zinc/95/88/46/1296958846.db2.gz QKWRPJOJFDOUNB-ULQDDVLXSA-N 2 2 336.501 2.095 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2S(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000926906040 1296958850 /nfs/dbraw/zinc/95/88/50/1296958850.db2.gz QKWRPJOJFDOUNB-ULQDDVLXSA-N 2 2 336.501 2.095 10 0 EEAELP CCO[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1)C[NH+](C)C ZINC000926961509 1296971148 /nfs/dbraw/zinc/97/11/48/1296971148.db2.gz JJVSBQVBKJEYMW-MISYRCLQSA-N 2 2 349.519 2.005 10 0 EEAELP CC[N@H+](CCNC(=O)NCCNc1cccc[nH+]1)CCC(F)(F)F ZINC001234041859 1304702648 /nfs/dbraw/zinc/70/26/48/1304702648.db2.gz CENDAVMIERAAIW-UHFFFAOYSA-N 2 2 347.385 2.067 10 0 EEAELP CC[N@@H+](CCNC(=O)NCCNc1cccc[nH+]1)CCC(F)(F)F ZINC001234041859 1304702655 /nfs/dbraw/zinc/70/26/55/1304702655.db2.gz 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O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001569984960 1342988516 /nfs/dbraw/zinc/98/85/16/1342988516.db2.gz IZVDIJHWYOIYKO-GFCCVEGCSA-N 2 2 345.274 2.490 10 0 EEAELP COCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001571360614 1343197503 /nfs/dbraw/zinc/19/75/03/1343197503.db2.gz WNUPLGRGOSOSOU-QGZVFWFLSA-N 2 2 344.459 2.119 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001676973949 1357252729 /nfs/dbraw/zinc/25/27/29/1357252729.db2.gz CURAWVWSWSWLPO-UONOGXRCSA-N 2 2 346.397 2.490 10 0 EEAELP CCC[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C(F)(F)F ZINC001677051283 1357270946 /nfs/dbraw/zinc/27/09/46/1357270946.db2.gz ATLFBMUNNMDFIB-KGLIPLIRSA-N 2 2 346.397 2.300 10 0 EEAELP C[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2c(F)cccc2F)CC1 ZINC001677598339 1357368366 /nfs/dbraw/zinc/36/83/66/1357368366.db2.gz CWGOHZHOYWFTMK-UHFFFAOYSA-N 2 2 337.414 2.165 10 0 EEAELP C[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2c(F)cccc2F)CC1 ZINC001677598339 1357368371 /nfs/dbraw/zinc/36/83/71/1357368371.db2.gz CWGOHZHOYWFTMK-UHFFFAOYSA-N 2 2 337.414 2.165 10 0 EEAELP C[N@H+](CCc1cccc(NC(=O)/C=C\C[NH+]2CCOCC2)c1)C1CC1 ZINC001624161193 1352415490 /nfs/dbraw/zinc/41/54/90/1352415490.db2.gz ROGFOBGZQIVSPV-UTCJRWHESA-N 2 2 343.471 2.150 10 0 EEAELP C[N@@H+](CCc1cccc(NC(=O)/C=C\C[NH+]2CCOCC2)c1)C1CC1 ZINC001624161193 1352415492 /nfs/dbraw/zinc/41/54/92/1352415492.db2.gz ROGFOBGZQIVSPV-UTCJRWHESA-N 2 2 343.471 2.150 10 0 EEAELP CCCCCC[C@@](O)(C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)C(=O)OC ZINC001655564941 1354178048 /nfs/dbraw/zinc/17/80/48/1354178048.db2.gz GCLPORJYZKJBMO-LZLYRXPVSA-N 2 2 326.481 2.029 10 0 EEAELP CCCCCC[C@@](O)(C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)C(=O)OC ZINC001655564941 1354178049 /nfs/dbraw/zinc/17/80/49/1354178049.db2.gz GCLPORJYZKJBMO-LZLYRXPVSA-N 2 2 326.481 2.029 10 0 EEAELP CCCCCC[C@@](O)(C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)C(=O)OC ZINC001655564941 1354178051 /nfs/dbraw/zinc/17/80/51/1354178051.db2.gz GCLPORJYZKJBMO-LZLYRXPVSA-N 2 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ZINC001665061683 1355271221 /nfs/dbraw/zinc/27/12/21/1355271221.db2.gz RXKBRLICCKKZGA-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCCCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001665061683 1355271225 /nfs/dbraw/zinc/27/12/25/1355271225.db2.gz RXKBRLICCKKZGA-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001665588588 1355328227 /nfs/dbraw/zinc/32/82/27/1355328227.db2.gz YHEGQQDUBUHKQH-QGZVFWFLSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001665588588 1355328232 /nfs/dbraw/zinc/32/82/32/1355328232.db2.gz YHEGQQDUBUHKQH-QGZVFWFLSA-N 2 2 339.430 2.387 10 0 EEAELP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001665641524 1355344851 /nfs/dbraw/zinc/34/48/51/1355344851.db2.gz BMYCYYVWPPSQBO-CVEARBPZSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C(=O)[C@@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001665641524 1355344853 /nfs/dbraw/zinc/34/48/53/1355344853.db2.gz BMYCYYVWPPSQBO-CVEARBPZSA-N 2 2 336.455 2.118 10 0 EEAELP Cc1nc(CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cs1 ZINC001667033932 1355636347 /nfs/dbraw/zinc/63/63/47/1355636347.db2.gz QYQPLGRFCOORHJ-LBPRGKRZSA-N 2 2 349.504 2.131 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001668888087 1356037093 /nfs/dbraw/zinc/03/70/93/1356037093.db2.gz SXYJLGHCNROURC-LFAOLKIESA-N 2 2 348.491 2.218 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001668888087 1356037101 /nfs/dbraw/zinc/03/71/01/1356037101.db2.gz SXYJLGHCNROURC-LFAOLKIESA-N 2 2 348.491 2.218 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NC/C=C/C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001669039940 1356074576 /nfs/dbraw/zinc/07/45/76/1356074576.db2.gz RMUJSLPNMJVWFC-NFAHFFEMSA-N 2 2 348.491 2.076 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]Cc2ncc(C(C)(C)C)o2)C1 ZINC001669039940 1356074578 /nfs/dbraw/zinc/07/45/78/1356074578.db2.gz RMUJSLPNMJVWFC-NFAHFFEMSA-N 2 2 348.491 2.076 10 0 EEAELP CC1(NC(=O)CCc2c[nH]c[nH+]2)CC[NH+](CCOCC2CCC2)CC1 ZINC001671416423 1356336547 /nfs/dbraw/zinc/33/65/47/1356336547.db2.gz ZKXJGNRIBROYBC-UHFFFAOYSA-N 2 2 348.491 2.130 10 0 EEAELP CC1(NC(=O)CCc2c[nH+]c[nH]2)CC[NH+](CCOCC2CCC2)CC1 ZINC001671416423 1356336555 /nfs/dbraw/zinc/33/65/55/1356336555.db2.gz ZKXJGNRIBROYBC-UHFFFAOYSA-N 2 2 348.491 2.130 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001672896122 1356609106 /nfs/dbraw/zinc/60/91/06/1356609106.db2.gz BTPUOPOAFYKECU-HNNXBMFYSA-N 2 2 344.434 2.130 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H]1CCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001672901393 1356610818 /nfs/dbraw/zinc/61/08/18/1356610818.db2.gz GJOYLXNIONGEGS-AWEZNQCLSA-N 2 2 347.488 2.054 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]Cc2ccnc(Cl)c2)CCC1 ZINC001673230626 1356656107 /nfs/dbraw/zinc/65/61/07/1356656107.db2.gz VEQVQJPZPLCUPR-UHFFFAOYSA-N 2 2 347.850 2.138 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C ZINC001674155977 1356801264 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2.249 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CCC1CCOCC1 ZINC001698756318 1405046652 /nfs/dbraw/zinc/04/66/52/1405046652.db2.gz DIPXKQQLEROABZ-HNNXBMFYSA-N 2 2 344.459 2.107 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001698863732 1405119546 /nfs/dbraw/zinc/11/95/46/1405119546.db2.gz ICBHIPOBTIWOKO-AWEZNQCLSA-N 2 2 325.416 2.001 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001698972204 1405194839 /nfs/dbraw/zinc/19/48/39/1405194839.db2.gz PXIUNKWFAMQLSH-QWHCGFSZSA-N 2 2 345.274 2.419 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001699035114 1405243649 /nfs/dbraw/zinc/24/36/49/1405243649.db2.gz UZUYJBMZSQODRK-RHSMWYFYSA-N 2 2 346.500 2.141 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)c2sccc2C[NH+](C)C)on1 ZINC001699261584 1405304143 /nfs/dbraw/zinc/30/41/43/1405304143.db2.gz JQGJCXTWPDJXSS-SNAWJCMRSA-N 2 2 348.472 2.182 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)c2sccc2C[NH+](C)C)on1 ZINC001699261583 1405304490 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C[N@@H+](CC(F)F)C1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000844187509 788893948 /nfs/dbraw/zinc/89/39/48/788893948.db2.gz HKXPMLIMQKHLPI-GJZGRUSLSA-N 2 2 331.451 2.472 10 0 EEAELP Cc1ccc(C(=O)N2CC([N@@H+](CC(C)C)C3CC[NH+](C)CC3)C2)cn1 ZINC000581799707 803097331 /nfs/dbraw/zinc/09/73/31/803097331.db2.gz LVSIBMSGBZEHIV-UHFFFAOYSA-N 2 2 344.503 2.267 10 0 EEAELP Cc1ccc(C(=O)N2CC([N@H+](CC(C)C)C3CC[NH+](C)CC3)C2)cn1 ZINC000581799707 803097335 /nfs/dbraw/zinc/09/73/35/803097335.db2.gz LVSIBMSGBZEHIV-UHFFFAOYSA-N 2 2 344.503 2.267 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001436499209 1088017800 /nfs/dbraw/zinc/01/78/00/1088017800.db2.gz MMCDCHKLAKDZKC-AEFFLSMTSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001436499209 1088017823 /nfs/dbraw/zinc/01/78/23/1088017823.db2.gz MMCDCHKLAKDZKC-AEFFLSMTSA-N 2 2 332.492 2.414 10 0 EEAELP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)cc1 ZINC001436976208 1088671635 /nfs/dbraw/zinc/67/16/35/1088671635.db2.gz BEQHVMWBYRSJJH-CALCHBBNSA-N 2 2 342.443 2.109 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+][C@H]1CCc2ccccc21 ZINC001437241284 1089351792 /nfs/dbraw/zinc/35/17/92/1089351792.db2.gz DMEBFMBVTYBYDO-KDOFPFPSSA-N 2 2 326.444 2.135 10 0 EEAELP CC[C@H]([NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC001437273113 1089424423 /nfs/dbraw/zinc/42/44/23/1089424423.db2.gz QMUHHOCGCFGEDC-WBMJQRKESA-N 2 2 336.386 2.407 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)Cc2ccc(C)nc2C)c[nH+]1 ZINC001437484234 1089840756 /nfs/dbraw/zinc/84/07/56/1089840756.db2.gz KAAHAKMDKJVKFM-UHFFFAOYSA-N 2 2 343.475 2.187 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)Cc2ccc(C)nc2C)c[nH+]1 ZINC001437484234 1089840771 /nfs/dbraw/zinc/84/07/71/1089840771.db2.gz KAAHAKMDKJVKFM-UHFFFAOYSA-N 2 2 343.475 2.187 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]C[C@H]2CCC(F)(F)C2)CCCC1 ZINC001438396539 1090883951 /nfs/dbraw/zinc/88/39/51/1090883951.db2.gz JPLZXOMIFFTPEA-AWEZNQCLSA-N 2 2 340.418 2.337 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@H]1C ZINC001438432754 1090933606 /nfs/dbraw/zinc/93/36/06/1090933606.db2.gz QNNLLPVOPONVGR-FZKQIMNGSA-N 2 2 345.447 2.104 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)cs1 ZINC001445507356 1091285237 /nfs/dbraw/zinc/28/52/37/1091285237.db2.gz XNGHBNVTOBXBHZ-DYVFJYSZSA-N 2 2 346.500 2.349 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1F ZINC001439127802 1091772450 /nfs/dbraw/zinc/77/24/50/1091772450.db2.gz IICXALAQKACAQW-GDBMZVCRSA-N 2 2 344.434 2.188 10 0 EEAELP CCO[C@@H](C[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001439349165 1092058924 /nfs/dbraw/zinc/05/89/24/1092058924.db2.gz OJHQWNUHIKYRMQ-YOEHRIQHSA-N 2 2 344.459 2.200 10 0 EEAELP CCO[C@@H](C[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001439349165 1092058933 /nfs/dbraw/zinc/05/89/33/1092058933.db2.gz OJHQWNUHIKYRMQ-YOEHRIQHSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)sn1 ZINC001439378166 1092120333 /nfs/dbraw/zinc/12/03/33/1092120333.db2.gz JCUXMOXYCCSVLT-CQSZACIVSA-N 2 2 349.504 2.408 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)sn1 ZINC001439378166 1092120334 /nfs/dbraw/zinc/12/03/34/1092120334.db2.gz JCUXMOXYCCSVLT-CQSZACIVSA-N 2 2 349.504 2.408 10 0 EEAELP Cc1nocc1C[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001446197699 1092274102 /nfs/dbraw/zinc/27/41/02/1092274102.db2.gz QTHPJVDZQKROGY-INIZCTEOSA-N 2 2 345.447 2.205 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)c3sccc3C[NH+](C)C)CC2)co1 ZINC001439608384 1092515753 /nfs/dbraw/zinc/51/57/53/1092515753.db2.gz UBXGRTWRZZQEEZ-UHFFFAOYSA-N 2 2 348.472 2.158 10 0 EEAELP COCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001439693057 1092642485 /nfs/dbraw/zinc/64/24/85/1092642485.db2.gz ZCLRQYBHQMWFRQ-IAGOWNOFSA-N 2 2 348.491 2.301 10 0 EEAELP COCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001439693057 1092642488 /nfs/dbraw/zinc/64/24/88/1092642488.db2.gz ZCLRQYBHQMWFRQ-IAGOWNOFSA-N 2 2 348.491 2.301 10 0 EEAELP COCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001439693057 1092642492 /nfs/dbraw/zinc/64/24/92/1092642492.db2.gz ZCLRQYBHQMWFRQ-IAGOWNOFSA-N 2 2 348.491 2.301 10 0 EEAELP COCC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001439693057 1092642493 /nfs/dbraw/zinc/64/24/93/1092642493.db2.gz ZCLRQYBHQMWFRQ-IAGOWNOFSA-N 2 2 348.491 2.301 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@](C)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001439934152 1093022502 /nfs/dbraw/zinc/02/25/02/1093022502.db2.gz MMWIHCNUOFUJEE-PKOBYXMFSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@](C)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)o1 ZINC001439934152 1093022508 /nfs/dbraw/zinc/02/25/08/1093022508.db2.gz MMWIHCNUOFUJEE-PKOBYXMFSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@](C)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439934152 1093022515 /nfs/dbraw/zinc/02/25/15/1093022515.db2.gz MMWIHCNUOFUJEE-PKOBYXMFSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@](C)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439934152 1093022521 /nfs/dbraw/zinc/02/25/21/1093022521.db2.gz MMWIHCNUOFUJEE-PKOBYXMFSA-N 2 2 348.491 2.104 10 0 EEAELP CC[C@H](F)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001440124298 1093185777 /nfs/dbraw/zinc/18/57/77/1093185777.db2.gz UXGJWRCNOLCDMC-NXOAAHMSSA-N 2 2 336.455 2.381 10 0 EEAELP CC[C@H](F)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001440124298 1093185780 /nfs/dbraw/zinc/18/57/80/1093185780.db2.gz UXGJWRCNOLCDMC-NXOAAHMSSA-N 2 2 336.455 2.381 10 0 EEAELP CCO[C@@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC1 ZINC001440257134 1093354194 /nfs/dbraw/zinc/35/41/94/1093354194.db2.gz CEAMYKJDWRZKHF-HOTGVXAUSA-N 2 2 348.491 2.035 10 0 EEAELP CCO[C@@H](C[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC1 ZINC001440257134 1093354204 /nfs/dbraw/zinc/35/42/04/1093354204.db2.gz CEAMYKJDWRZKHF-HOTGVXAUSA-N 2 2 348.491 2.035 10 0 EEAELP CC(C)[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@@H]1CCOC1 ZINC001448557411 1093602662 /nfs/dbraw/zinc/60/26/62/1093602662.db2.gz GHBGDDWFNCNIFD-GOEBONIOSA-N 2 2 344.459 2.334 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001440465824 1093689754 /nfs/dbraw/zinc/68/97/54/1093689754.db2.gz OCBJDMRODPNNSW-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP CCOC1CC(C[NH2+]C2(CC)CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001440533769 1093796431 /nfs/dbraw/zinc/79/64/31/1093796431.db2.gz URMKAAPGRVVVBW-UHFFFAOYSA-N 2 2 348.491 2.128 10 0 EEAELP CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001440537176 1093800976 /nfs/dbraw/zinc/80/09/76/1093800976.db2.gz GYWBMBQBHGTQER-HNNXBMFYSA-N 2 2 338.471 2.462 10 0 EEAELP Cc1csc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001448740831 1093812149 /nfs/dbraw/zinc/81/21/49/1093812149.db2.gz YWKSNKLLLAICAA-JSGCOSHPSA-N 2 2 335.477 2.236 10 0 EEAELP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)CC1(C)C ZINC001440624806 1093894119 /nfs/dbraw/zinc/89/41/19/1093894119.db2.gz RSUXOFCFKWJZJF-INIZCTEOSA-N 2 2 348.491 2.220 10 0 EEAELP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)CC1(C)C ZINC001440624806 1093894129 /nfs/dbraw/zinc/89/41/29/1093894129.db2.gz RSUXOFCFKWJZJF-INIZCTEOSA-N 2 2 348.491 2.220 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001449216340 1094172243 /nfs/dbraw/zinc/17/22/43/1094172243.db2.gz QRWNQQYIFDQAAT-SYGMWZTRSA-N 2 2 347.503 2.418 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@@H](O)C[N@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001449216340 1094172245 /nfs/dbraw/zinc/17/22/45/1094172245.db2.gz QRWNQQYIFDQAAT-SYGMWZTRSA-N 2 2 347.503 2.418 10 0 EEAELP CO[C@H](C[NH2+]C1CCC(NC(=O)Cn2cc[nH+]c2)CC1)C1CCCC1 ZINC001441738879 1095726620 /nfs/dbraw/zinc/72/66/20/1095726620.db2.gz CNFOERNESHZBIG-DAWZGUTISA-N 2 2 348.491 2.105 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2 ZINC001441862210 1095961625 /nfs/dbraw/zinc/96/16/25/1095961625.db2.gz ISIYQKJMOXLDSJ-IEBWSBKVSA-N 2 2 339.443 2.051 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccccn1)CC2 ZINC001441862210 1095961631 /nfs/dbraw/zinc/96/16/31/1095961631.db2.gz ISIYQKJMOXLDSJ-IEBWSBKVSA-N 2 2 339.443 2.051 10 0 EEAELP CC(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001442219728 1096514909 /nfs/dbraw/zinc/51/49/09/1096514909.db2.gz AWDIQLVCFKSEMX-UONOGXRCSA-N 2 2 346.397 2.367 10 0 EEAELP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc(C)ccc1F ZINC001442964731 1097387286 /nfs/dbraw/zinc/38/72/86/1097387286.db2.gz GBKQNOOTYCKKDU-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1cc(C)ccc1F ZINC001442964731 1097387293 /nfs/dbraw/zinc/38/72/93/1097387293.db2.gz GBKQNOOTYCKKDU-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP CC[C@H](F)C[N@@H+](CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC1 ZINC001443026181 1097433795 /nfs/dbraw/zinc/43/37/95/1097433795.db2.gz DBTNDSJHRTYQPU-AWEZNQCLSA-N 2 2 345.422 2.210 10 0 EEAELP CN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001443078927 1097492331 /nfs/dbraw/zinc/49/23/31/1097492331.db2.gz FUJPFURMYXQQDB-VQIMIIECSA-N 2 2 338.455 2.181 10 0 EEAELP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001443829742 1098333500 /nfs/dbraw/zinc/33/35/00/1098333500.db2.gz YQVDYYTVHUQGPX-IAGOWNOFSA-N 2 2 341.459 2.271 10 0 EEAELP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001443829742 1098333506 /nfs/dbraw/zinc/33/35/06/1098333506.db2.gz YQVDYYTVHUQGPX-IAGOWNOFSA-N 2 2 341.459 2.271 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001443932044 1098452005 /nfs/dbraw/zinc/45/20/05/1098452005.db2.gz ASUJETUXKYGNIB-HUUCEWRRSA-N 2 2 336.480 2.267 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001443932044 1098452010 /nfs/dbraw/zinc/45/20/10/1098452010.db2.gz ASUJETUXKYGNIB-HUUCEWRRSA-N 2 2 336.480 2.267 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001444022932 1098540192 /nfs/dbraw/zinc/54/01/92/1098540192.db2.gz RVMOZFDDSRFYIC-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1cscn1 ZINC001479738648 1098851641 /nfs/dbraw/zinc/85/16/41/1098851641.db2.gz KXDKRYHCHYPIJY-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1cscn1 ZINC001479738648 1098851651 /nfs/dbraw/zinc/85/16/51/1098851651.db2.gz KXDKRYHCHYPIJY-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001444415826 1099029590 /nfs/dbraw/zinc/02/95/90/1099029590.db2.gz AWEOVVDFAGAQHP-DYVFJYSZSA-N 2 2 330.407 2.052 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001444427882 1099051638 /nfs/dbraw/zinc/05/16/38/1099051638.db2.gz UUKLGOVMCLCCRU-KBPBESRZSA-N 2 2 344.459 2.372 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001480240037 1099872712 /nfs/dbraw/zinc/87/27/12/1099872712.db2.gz SIYSUAFTBCPEBM-IYBDPMFKSA-N 2 2 348.397 2.379 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCc1cccs1 ZINC001480334906 1100098504 /nfs/dbraw/zinc/09/85/04/1100098504.db2.gz LFLQGJMICLZNSK-OAHLLOKOSA-N 2 2 332.473 2.158 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCc1cccs1 ZINC001480334906 1100098515 /nfs/dbraw/zinc/09/85/15/1100098515.db2.gz LFLQGJMICLZNSK-OAHLLOKOSA-N 2 2 332.473 2.158 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001480395204 1100204378 /nfs/dbraw/zinc/20/43/78/1100204378.db2.gz RKVLYUXCYLOHTP-ZWEUYDHTSA-N 2 2 330.476 2.381 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001480395204 1100204383 /nfs/dbraw/zinc/20/43/83/1100204383.db2.gz RKVLYUXCYLOHTP-ZWEUYDHTSA-N 2 2 330.476 2.381 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001480395204 1100204389 /nfs/dbraw/zinc/20/43/89/1100204389.db2.gz RKVLYUXCYLOHTP-ZWEUYDHTSA-N 2 2 330.476 2.381 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001480395204 1100204394 /nfs/dbraw/zinc/20/43/94/1100204394.db2.gz RKVLYUXCYLOHTP-ZWEUYDHTSA-N 2 2 330.476 2.381 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CCn2cc[nH+]c2)s1 ZINC001445114507 1100355872 /nfs/dbraw/zinc/35/58/72/1100355872.db2.gz NLDRMMSZQDOCFC-GDBMZVCRSA-N 2 2 347.488 2.113 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[NH2+]Cc1nc(C)c(C)o1 ZINC001445360101 1100596121 /nfs/dbraw/zinc/59/61/21/1100596121.db2.gz DLPJGWIAXCFLBJ-CHWSQXEVSA-N 2 2 347.463 2.296 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001496207095 1100748809 /nfs/dbraw/zinc/74/88/09/1100748809.db2.gz NISVYNHZNKQMEW-OJXHRBAXSA-N 2 2 326.444 2.113 10 0 EEAELP CC[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CCCC1 ZINC001446489545 1100927868 /nfs/dbraw/zinc/92/78/68/1100927868.db2.gz MGYLDNTWDUZEDH-IAGOWNOFSA-N 2 2 333.480 2.075 10 0 EEAELP CC[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CCCC1 ZINC001446489545 1100927875 /nfs/dbraw/zinc/92/78/75/1100927875.db2.gz MGYLDNTWDUZEDH-IAGOWNOFSA-N 2 2 333.480 2.075 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCCc1ccsc1 ZINC001496355499 1100949388 /nfs/dbraw/zinc/94/93/88/1100949388.db2.gz GWACCSUULWGGKT-RHSMWYFYSA-N 2 2 346.500 2.473 10 0 EEAELP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001495361551 1101076481 /nfs/dbraw/zinc/07/64/81/1101076481.db2.gz ZCQXWEHJODKHPN-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1csc(C[NH2+]CC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001495393643 1101113466 /nfs/dbraw/zinc/11/34/66/1101113466.db2.gz QIZYRGDMEHFGFV-OAHLLOKOSA-N 2 2 347.488 2.067 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001495428149 1101145110 /nfs/dbraw/zinc/14/51/10/1101145110.db2.gz FALMBUJANMMRDY-JLHYYAGUSA-N 2 2 345.274 2.490 10 0 EEAELP Cc1cccnc1C[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001495428146 1101145572 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WJRBUWZOKFSCJH-IAGOWNOFSA-N 2 2 348.491 2.144 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ncc(CC)o1 ZINC001447048812 1101861958 /nfs/dbraw/zinc/86/19/58/1101861958.db2.gz WJRBUWZOKFSCJH-IAGOWNOFSA-N 2 2 348.491 2.144 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)[C@H](C)C[NH2+]CCC(F)(F)F ZINC001496097630 1102055366 /nfs/dbraw/zinc/05/53/66/1102055366.db2.gz RPNRXEQZHJFICN-LLVKDONJSA-N 2 2 333.354 2.022 10 0 EEAELP C[C@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001497305498 1102286987 /nfs/dbraw/zinc/28/69/87/1102286987.db2.gz YKTYHWNJGXGXJQ-OAHLLOKOSA-N 2 2 332.492 2.417 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC2CCC3(CC3)CC2)CCC1 ZINC001447263013 1102330548 /nfs/dbraw/zinc/33/05/48/1102330548.db2.gz IDMQPUJXAAWHQH-UHFFFAOYSA-N 2 2 330.476 2.482 10 0 EEAELP Cc1cc(C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)sn1 ZINC001497610445 1102745728 /nfs/dbraw/zinc/74/57/28/1102745728.db2.gz IZDRNLGBXAEUAK-IHWYPQMZSA-N 2 2 341.440 2.404 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1CC(F)(F)C1)c1cccc2[nH+]ccn21 ZINC001497633680 1102784783 /nfs/dbraw/zinc/78/47/83/1102784783.db2.gz RROMKZCLXHKARS-OWOJBTEDSA-N 2 2 334.370 2.255 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1C ZINC001497831045 1103162782 /nfs/dbraw/zinc/16/27/82/1103162782.db2.gz DLVLJCNYROFTNM-DJIMGWMZSA-N 2 2 326.444 2.425 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1C ZINC001497831045 1103162785 /nfs/dbraw/zinc/16/27/85/1103162785.db2.gz DLVLJCNYROFTNM-DJIMGWMZSA-N 2 2 326.444 2.425 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001447898540 1103547965 /nfs/dbraw/zinc/54/79/65/1103547965.db2.gz CFEMHWDUZMJIET-QWRGUYRKSA-N 2 2 338.814 2.428 10 0 EEAELP Cc1csc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn2cc[nH+]c2)n1 ZINC001447945998 1103664039 /nfs/dbraw/zinc/66/40/39/1103664039.db2.gz UDTMWEIFGWHFCC-UONOGXRCSA-N 2 2 335.477 2.111 10 0 EEAELP C[N@H+](CC(=O)NC1C[NH+](CCCOc2ccccc2)C1)CC(C)(C)C ZINC001494452762 1104034977 /nfs/dbraw/zinc/03/49/77/1104034977.db2.gz KTMQKZPHWPHJAM-UHFFFAOYSA-N 2 2 347.503 2.234 10 0 EEAELP C[N@@H+](CC(=O)NC1C[NH+](CCCOc2ccccc2)C1)CC(C)(C)C ZINC001494452762 1104034987 /nfs/dbraw/zinc/03/49/87/1104034987.db2.gz KTMQKZPHWPHJAM-UHFFFAOYSA-N 2 2 347.503 2.234 10 0 EEAELP CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cncc(F)c1 ZINC001448215885 1104194066 /nfs/dbraw/zinc/19/40/66/1104194066.db2.gz MFVOJAFVIATGEV-MRXNPFEDSA-N 2 2 347.438 2.149 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001494927459 1104570149 /nfs/dbraw/zinc/57/01/49/1104570149.db2.gz ZCOLASOZTZDDPE-QGZVFWFLSA-N 2 2 330.476 2.386 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001494927459 1104570153 /nfs/dbraw/zinc/57/01/53/1104570153.db2.gz ZCOLASOZTZDDPE-QGZVFWFLSA-N 2 2 330.476 2.386 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001495014681 1104657676 /nfs/dbraw/zinc/65/76/76/1104657676.db2.gz XKZVROYKXABYNU-JKSUJKDBSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1ncoc1C[NH2+][C@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480708163 1106927395 /nfs/dbraw/zinc/92/73/95/1106927395.db2.gz FJTJLCBFGWCWSP-HOTGVXAUSA-N 2 2 345.447 2.177 10 0 EEAELP COc1cccc(C[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001498128228 1106958404 /nfs/dbraw/zinc/95/84/04/1106958404.db2.gz XNMVEZWLNMLEJI-LSDHHAIUSA-N 2 2 330.432 2.137 10 0 EEAELP Cc1nsc(C)c1C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001493162477 1107620595 /nfs/dbraw/zinc/62/05/95/1107620595.db2.gz ZEJFKFLLHASPQJ-OAHLLOKOSA-N 2 2 347.488 2.046 10 0 EEAELP Cc1nsc(C)c1C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001493162477 1107620606 /nfs/dbraw/zinc/62/06/06/1107620606.db2.gz ZEJFKFLLHASPQJ-OAHLLOKOSA-N 2 2 347.488 2.046 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)o1 ZINC001498620503 1107825500 /nfs/dbraw/zinc/82/55/00/1107825500.db2.gz LWHVFMSNQXQRDW-ZDUSSCGKSA-N 2 2 333.436 2.077 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC001493605487 1108392054 /nfs/dbraw/zinc/39/20/54/1108392054.db2.gz YKIJEASNZSSTGE-OAHLLOKOSA-N 2 2 332.473 2.064 10 0 EEAELP CC(C)c1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001499099589 1108583309 /nfs/dbraw/zinc/58/33/09/1108583309.db2.gz FVOCOTZMULOQBP-GOSISDBHSA-N 2 2 340.471 2.477 10 0 EEAELP CC(C)c1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001499099589 1108583319 /nfs/dbraw/zinc/58/33/19/1108583319.db2.gz FVOCOTZMULOQBP-GOSISDBHSA-N 2 2 340.471 2.477 10 0 EEAELP C[C@@H]([NH2+]CC[C@H](C)F)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001493846559 1108730007 /nfs/dbraw/zinc/73/00/07/1108730007.db2.gz IGPCIAPYQYULAF-LSDHHAIUSA-N 2 2 338.471 2.318 10 0 EEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001456895567 1109356581 /nfs/dbraw/zinc/35/65/81/1109356581.db2.gz WLDBHLFELUAPLD-AWEZNQCLSA-N 2 2 330.432 2.284 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)c(O)c2)CC1 ZINC001464380014 1110392987 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Cc1cc(C)cc(OCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001505719623 1114149854 /nfs/dbraw/zinc/14/98/54/1114149854.db2.gz FHTVJRFQZQQBOP-CVEARBPZSA-N 2 2 344.459 2.131 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001506887768 1114951515 /nfs/dbraw/zinc/95/15/15/1114951515.db2.gz DGTCEKUZFRZZFR-SRMUPAJBSA-N 2 2 330.476 2.286 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001507290375 1115176209 /nfs/dbraw/zinc/17/62/09/1115176209.db2.gz XWBQIMVVEUQAIN-WCQYABFASA-N 2 2 332.370 2.264 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCC1CC1)CC2 ZINC001507352739 1115215841 /nfs/dbraw/zinc/21/58/41/1115215841.db2.gz OIHRFYQLEJNLGC-IEBWSBKVSA-N 2 2 330.476 2.266 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001507352739 1115215844 /nfs/dbraw/zinc/21/58/44/1115215844.db2.gz OIHRFYQLEJNLGC-IEBWSBKVSA-N 2 2 330.476 2.266 10 0 EEAELP CC[C@H](F)C[NH2+]C[C@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC001508026069 1115391507 /nfs/dbraw/zinc/39/15/07/1115391507.db2.gz IEXOAFPFLVNTDY-ZFWWWQNUSA-N 2 2 326.460 2.221 10 0 EEAELP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1ccn(CC)n1 ZINC001567964544 1124207159 /nfs/dbraw/zinc/20/71/59/1124207159.db2.gz MLBLOJISKYDABW-AWEZNQCLSA-N 2 2 340.431 2.078 10 0 EEAELP COCCCC[NH+]1CC2(C1)CCN(C(=O)C[C@H](C)n1cc[nH+]c1)CC2 ZINC001568252911 1124387840 /nfs/dbraw/zinc/38/78/40/1124387840.db2.gz SWKLAWHESMKBNQ-KRWDZBQOSA-N 2 2 348.491 2.185 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568281954 1124402691 /nfs/dbraw/zinc/40/26/91/1124402691.db2.gz ALXYTXAUAUMTGN-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@H](C)N(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001568322724 1124419796 /nfs/dbraw/zinc/41/97/96/1124419796.db2.gz QVKSMMKCZDTODQ-KRWDZBQOSA-N 2 2 328.460 2.261 10 0 EEAELP COCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001568407723 1124477328 /nfs/dbraw/zinc/47/73/28/1124477328.db2.gz UEMJIOCGRCUFRY-CABCVRRESA-N 2 2 344.459 2.430 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001568660082 1124674525 /nfs/dbraw/zinc/67/45/25/1124674525.db2.gz RNOMQVRTTQYKAU-LBPRGKRZSA-N 2 2 349.504 2.111 10 0 EEAELP COc1cccc(C[NH2+]CC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c1C ZINC001568703812 1124720770 /nfs/dbraw/zinc/72/07/70/1124720770.db2.gz VSXGCOBBSYHUPJ-ZDUSSCGKSA-N 2 2 344.459 2.262 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1ccc(F)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568873462 1124899072 /nfs/dbraw/zinc/89/90/72/1124899072.db2.gz MWUKHEHDHWDSMJ-XGBNDESESA-N 2 2 342.418 2.047 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1cc(C)ccc1C ZINC001568954528 1124989400 /nfs/dbraw/zinc/98/94/00/1124989400.db2.gz QBFMRYMSWFBHEG-PLNGDYQASA-N 2 2 326.444 2.340 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]Cc2c(C)noc2C)c[nH+]1 ZINC001569213645 1125169702 /nfs/dbraw/zinc/16/97/02/1125169702.db2.gz HCCHQGALMFQMKA-UHFFFAOYSA-N 2 2 347.463 2.170 10 0 EEAELP CC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCCOC ZINC001569338282 1125239120 /nfs/dbraw/zinc/23/91/20/1125239120.db2.gz KHDDEVXUSMYRSO-HOCLYGCPSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1ccc(Sc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1 ZINC000040756921 213383439 /nfs/dbraw/zinc/38/34/39/213383439.db2.gz INWFRIQDCVASSL-UHFFFAOYSA-N 2 2 330.461 2.093 10 0 EEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000040749965 213382318 /nfs/dbraw/zinc/38/23/18/213382318.db2.gz LWUTUHYSUGRROG-QXMXGUDHSA-N 2 2 338.249 2.342 10 0 EEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(Br)cc1 ZINC000040749965 213382321 /nfs/dbraw/zinc/38/23/21/213382321.db2.gz LWUTUHYSUGRROG-QXMXGUDHSA-N 2 2 338.249 2.342 10 0 EEAELP COc1cccc(N2CCC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422755689 240206964 /nfs/dbraw/zinc/20/69/64/240206964.db2.gz GTGYJRKEYHUGOD-VDGAXYAQSA-N 2 2 345.487 2.021 10 0 EEAELP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1c[nH+]ccc1N ZINC000422773935 240216639 /nfs/dbraw/zinc/21/66/39/240216639.db2.gz VJQYHOJICGIZNG-HNNXBMFYSA-N 3 2 326.444 2.177 10 0 EEAELP Clc1cnc(NCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422776442 240220796 /nfs/dbraw/zinc/22/07/96/240220796.db2.gz DOCDURIISRFXIS-KBPBESRZSA-N 2 2 345.274 2.157 10 0 EEAELP COc1ccc([C@H]([NH2+]CCc2nccnc2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423129570 240377213 /nfs/dbraw/zinc/37/72/13/240377213.db2.gz FJXWRDYPZVPCII-OALUTQOASA-N 2 2 326.444 2.419 10 0 EEAELP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422963301 240312405 /nfs/dbraw/zinc/31/24/05/240312405.db2.gz FMRIJYXIMLEZGR-RISCZKNCSA-N 2 2 326.366 2.487 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(-c2ccccc2)nn1C ZINC000453078281 243395208 /nfs/dbraw/zinc/39/52/08/243395208.db2.gz CGQQTZMPDJYZNQ-DOTOQJQBSA-N 2 2 328.460 2.194 10 0 EEAELP Cn1ncc(Br)c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000486985219 245520540 /nfs/dbraw/zinc/52/05/40/245520540.db2.gz UVBIQKSCOGDOIO-UHFFFAOYSA-N 2 2 327.270 2.289 10 0 EEAELP Cc1cn2cc(NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)ccc2[nH+]1 ZINC000266602135 248378137 /nfs/dbraw/zinc/37/81/37/248378137.db2.gz SGVQRCYFUQXXMI-KRWDZBQOSA-N 2 2 330.432 2.374 10 0 EEAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173871968 533581770 /nfs/dbraw/zinc/58/17/70/533581770.db2.gz VNXFDJZLDDRADX-SFHVURJKSA-N 2 2 345.487 2.119 10 0 EEAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173871968 533581775 /nfs/dbraw/zinc/58/17/75/533581775.db2.gz VNXFDJZLDDRADX-SFHVURJKSA-N 2 2 345.487 2.119 10 0 EEAELP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000115800451 152040622 /nfs/dbraw/zinc/04/06/22/152040622.db2.gz PXPAFGWUKLWPRA-MRXNPFEDSA-N 2 2 345.491 2.034 10 0 EEAELP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000115800451 152040626 /nfs/dbraw/zinc/04/06/26/152040626.db2.gz PXPAFGWUKLWPRA-MRXNPFEDSA-N 2 2 345.491 2.034 10 0 EEAELP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000262664790 152304199 /nfs/dbraw/zinc/30/41/99/152304199.db2.gz IVLQJMDNXKTHNB-MCIONIFRSA-N 2 2 337.414 2.173 10 0 EEAELP [NH3+][C@@H]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000262664790 152304204 /nfs/dbraw/zinc/30/42/04/152304204.db2.gz IVLQJMDNXKTHNB-MCIONIFRSA-N 2 2 337.414 2.173 10 0 EEAELP Cn1cc[nH+]c1CN1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000357714717 153302312 /nfs/dbraw/zinc/30/23/12/153302312.db2.gz IFKUMTGKRLWJES-UHFFFAOYSA-N 2 2 328.460 2.397 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374205784 154003584 /nfs/dbraw/zinc/00/35/84/154003584.db2.gz AHWUCTGSOSQMQC-QAPCUYQASA-N 2 2 348.491 2.301 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374213401 154007299 /nfs/dbraw/zinc/00/72/99/154007299.db2.gz TUUMSBBTRVJGHM-ZDUSSCGKSA-N 2 2 330.436 2.394 10 0 EEAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)s1 ZINC000121035640 159399715 /nfs/dbraw/zinc/39/97/15/159399715.db2.gz AZKODRHUBYODEW-QGZVFWFLSA-N 2 2 337.533 2.283 10 0 EEAELP Cc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC000121035640 159399717 /nfs/dbraw/zinc/39/97/17/159399717.db2.gz AZKODRHUBYODEW-QGZVFWFLSA-N 2 2 337.533 2.283 10 0 EEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186528833 160073209 /nfs/dbraw/zinc/07/32/09/160073209.db2.gz QLRHCGHULWQTAV-QGZVFWFLSA-N 2 2 347.507 2.280 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193610727 160184112 /nfs/dbraw/zinc/18/41/12/160184112.db2.gz NSGYNCLDTHLRJH-HDEZJCGLSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193610727 160184113 /nfs/dbraw/zinc/18/41/13/160184113.db2.gz NSGYNCLDTHLRJH-HDEZJCGLSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193610727 160184114 /nfs/dbraw/zinc/18/41/14/160184114.db2.gz NSGYNCLDTHLRJH-HDEZJCGLSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193610727 160184115 /nfs/dbraw/zinc/18/41/15/160184115.db2.gz NSGYNCLDTHLRJH-HDEZJCGLSA-N 2 2 341.455 2.492 10 0 EEAELP C[N@H+](CCN1CCCC[C@H]1C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000245411565 160233086 /nfs/dbraw/zinc/23/30/86/160233086.db2.gz XLMKDQVDEPLYRE-FQEVSTJZSA-N 2 2 349.494 2.444 10 0 EEAELP C[N@@H+](CCN1CCCC[C@H]1C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000245411565 160233087 /nfs/dbraw/zinc/23/30/87/160233087.db2.gz XLMKDQVDEPLYRE-FQEVSTJZSA-N 2 2 349.494 2.444 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000245902033 160256647 /nfs/dbraw/zinc/25/66/47/160256647.db2.gz QBUKHZYMTFKUNI-JKSUJKDBSA-N 2 2 347.434 2.254 10 0 EEAELP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCNc3cccc[nH+]3)CC[C@H]21 ZINC000246780577 160293600 /nfs/dbraw/zinc/29/36/00/160293600.db2.gz IJWGTSSBAJBJMW-JKSUJKDBSA-N 2 2 331.464 2.009 10 0 EEAELP C[N@H+]1CCC[C@H]2CN(C(=O)NCCCNc3cccc[nH+]3)CC[C@H]21 ZINC000246780577 160293601 /nfs/dbraw/zinc/29/36/01/160293601.db2.gz IJWGTSSBAJBJMW-JKSUJKDBSA-N 2 2 331.464 2.009 10 0 EEAELP Cc1ccccc1-c1nc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)no1 ZINC000344026429 161191391 /nfs/dbraw/zinc/19/13/91/161191391.db2.gz JRFYEXPVDWZIMO-UHFFFAOYSA-N 2 2 345.491 2.360 10 0 EEAELP Cc1ccccc1-c1nc(C[N@H+](C)CCCN(C)CC[NH+](C)C)no1 ZINC000344026429 161191392 /nfs/dbraw/zinc/19/13/92/161191392.db2.gz JRFYEXPVDWZIMO-UHFFFAOYSA-N 2 2 345.491 2.360 10 0 EEAELP FC1(F)Oc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2O1 ZINC000352006213 162025547 /nfs/dbraw/zinc/02/55/47/162025547.db2.gz TVFZFCXHWKYIAS-AWEZNQCLSA-N 2 2 340.370 2.162 10 0 EEAELP FC1(F)Oc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2O1 ZINC000352006213 162025549 /nfs/dbraw/zinc/02/55/49/162025549.db2.gz TVFZFCXHWKYIAS-AWEZNQCLSA-N 2 2 340.370 2.162 10 0 EEAELP COc1cc(C)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C)n1 ZINC000359219508 164086624 /nfs/dbraw/zinc/08/66/24/164086624.db2.gz FHYDEGOWGGCXTE-GOSISDBHSA-N 2 2 346.519 2.309 10 0 EEAELP COc1cc(C)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)n1 ZINC000359219508 164086626 /nfs/dbraw/zinc/08/66/26/164086626.db2.gz FHYDEGOWGGCXTE-GOSISDBHSA-N 2 2 346.519 2.309 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422879361 287040746 /nfs/dbraw/zinc/04/07/46/287040746.db2.gz KHNHKVALXUNXQI-HPFXQQBRSA-N 2 2 332.492 2.315 10 0 EEAELP COC1(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCC1 ZINC000376067279 167254544 /nfs/dbraw/zinc/25/45/44/167254544.db2.gz MGJRTNHAEHJJNO-MGNMYUMUSA-N 2 2 337.508 2.007 10 0 EEAELP COC1(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CCC1 ZINC000376067279 167254545 /nfs/dbraw/zinc/25/45/45/167254545.db2.gz MGJRTNHAEHJJNO-MGNMYUMUSA-N 2 2 337.508 2.007 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123726197 222323340 /nfs/dbraw/zinc/32/33/40/222323340.db2.gz SMAIYWAMHPMYGX-OWCLPIDISA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123726197 222323345 /nfs/dbraw/zinc/32/33/45/222323345.db2.gz SMAIYWAMHPMYGX-OWCLPIDISA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123726197 222323347 /nfs/dbraw/zinc/32/33/47/222323347.db2.gz SMAIYWAMHPMYGX-OWCLPIDISA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123726197 222323349 /nfs/dbraw/zinc/32/33/49/222323349.db2.gz SMAIYWAMHPMYGX-OWCLPIDISA-N 2 2 333.476 2.287 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123657118 222311968 /nfs/dbraw/zinc/31/19/68/222311968.db2.gz DYJBFQPOTXPHIL-APWZRJJASA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123657118 222311972 /nfs/dbraw/zinc/31/19/72/222311972.db2.gz DYJBFQPOTXPHIL-APWZRJJASA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123657118 222311974 /nfs/dbraw/zinc/31/19/74/222311974.db2.gz DYJBFQPOTXPHIL-APWZRJJASA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123657118 222311977 /nfs/dbraw/zinc/31/19/77/222311977.db2.gz DYJBFQPOTXPHIL-APWZRJJASA-N 2 2 347.503 2.254 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000123875084 222345957 /nfs/dbraw/zinc/34/59/57/222345957.db2.gz IJAQJHHGNYRISR-PKOBYXMFSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCCN(C)c2ccccc2)CC[N@H+]1C ZINC000123875084 222345960 /nfs/dbraw/zinc/34/59/60/222345960.db2.gz IJAQJHHGNYRISR-PKOBYXMFSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCCCN(C)c2ccccc2)CC[NH+]1C ZINC000123875084 222345963 /nfs/dbraw/zinc/34/59/63/222345963.db2.gz IJAQJHHGNYRISR-PKOBYXMFSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCCCN(C)c2ccccc2)CC[NH+]1C ZINC000123875084 222345970 /nfs/dbraw/zinc/34/59/70/222345970.db2.gz IJAQJHHGNYRISR-PKOBYXMFSA-N 2 2 346.519 2.044 10 0 EEAELP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)nc1 ZINC000290106631 275180266 /nfs/dbraw/zinc/18/02/66/275180266.db2.gz SMBLUUFTAIRKIU-OAHLLOKOSA-N 2 2 327.432 2.017 10 0 EEAELP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)nc1 ZINC000290106631 275180267 /nfs/dbraw/zinc/18/02/67/275180267.db2.gz SMBLUUFTAIRKIU-OAHLLOKOSA-N 2 2 327.432 2.017 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063882 275370153 /nfs/dbraw/zinc/37/01/53/275370153.db2.gz CSZFVHONUBNSIT-FXAWDEMLSA-N 3 2 342.487 2.042 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)c2cc1C ZINC000292063882 275370155 /nfs/dbraw/zinc/37/01/55/275370155.db2.gz CSZFVHONUBNSIT-FXAWDEMLSA-N 3 2 342.487 2.042 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000292063882 275370157 /nfs/dbraw/zinc/37/01/57/275370157.db2.gz CSZFVHONUBNSIT-FXAWDEMLSA-N 3 2 342.487 2.042 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000292063882 275370159 /nfs/dbraw/zinc/37/01/59/275370159.db2.gz CSZFVHONUBNSIT-FXAWDEMLSA-N 3 2 342.487 2.042 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)s1 ZINC000261688401 276667661 /nfs/dbraw/zinc/66/76/61/276667661.db2.gz HMJOTPCDVFEZTE-RHSMWYFYSA-N 2 2 335.517 2.330 10 0 EEAELP COc1ccccc1C1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000423035444 295357676 /nfs/dbraw/zinc/35/76/76/295357676.db2.gz JLTNPBMHBGGBKG-RTBURBONSA-N 2 2 330.472 2.474 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000168346093 311392332 /nfs/dbraw/zinc/39/23/32/311392332.db2.gz RLNJPBNIVYKPND-APWZRJJASA-N 2 2 338.455 2.496 10 0 EEAELP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000330124662 311725900 /nfs/dbraw/zinc/72/59/00/311725900.db2.gz IDHWEUDMAJJNDR-SJLPKXTDSA-N 2 2 345.491 2.377 10 0 EEAELP C[C@@H]1C[NH2+]CCN1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000333189754 312109443 /nfs/dbraw/zinc/10/94/43/312109443.db2.gz UQWBALFMPOAEQY-QWHCGFSZSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@@H]1C[NH2+]CCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000333189754 312109445 /nfs/dbraw/zinc/10/94/45/312109445.db2.gz UQWBALFMPOAEQY-QWHCGFSZSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333694480 312183965 /nfs/dbraw/zinc/18/39/65/312183965.db2.gz QBOGMMRMYLGOHH-WMLDXEAASA-N 2 2 345.491 2.106 10 0 EEAELP COC[C@]1(C[NH2+]Cc2ccccc2OCC(F)(F)F)CCC[NH2+]1 ZINC000414937595 313112564 /nfs/dbraw/zinc/11/25/64/313112564.db2.gz DESDJFQATZSCPA-OAHLLOKOSA-N 2 2 332.366 2.486 10 0 EEAELP CC[N@H+](CCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000416866367 313340891 /nfs/dbraw/zinc/34/08/91/313340891.db2.gz APYVJQFLDVGWJL-SFHVURJKSA-N 2 2 330.476 2.439 10 0 EEAELP CC[N@@H+](CCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000416866367 313340895 /nfs/dbraw/zinc/34/08/95/313340895.db2.gz APYVJQFLDVGWJL-SFHVURJKSA-N 2 2 330.476 2.439 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C[C@@H]21 ZINC000416939248 313367616 /nfs/dbraw/zinc/36/76/16/313367616.db2.gz MTBXTRRBJYBUKS-TUKIKUTGSA-N 2 2 347.850 2.257 10 0 EEAELP CCCN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CC[NH2+]C1 ZINC000416942015 313368184 /nfs/dbraw/zinc/36/81/84/313368184.db2.gz RHESDKGKXSUUOA-AWEZNQCLSA-N 2 2 335.839 2.271 10 0 EEAELP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417065376 313412068 /nfs/dbraw/zinc/41/20/68/313412068.db2.gz GNZMSRIGLRYPOG-GOSISDBHSA-N 2 2 343.475 2.446 10 0 EEAELP C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000445990609 315362731 /nfs/dbraw/zinc/36/27/31/315362731.db2.gz BOMQARVGEXXOFU-QGZVFWFLSA-N 2 2 342.487 2.208 10 0 EEAELP C[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000445990609 315362734 /nfs/dbraw/zinc/36/27/34/315362734.db2.gz BOMQARVGEXXOFU-QGZVFWFLSA-N 2 2 342.487 2.208 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448704863 315378660 /nfs/dbraw/zinc/37/86/60/315378660.db2.gz PRIUEAVYHIBOCW-UHFFFAOYSA-N 2 2 348.410 2.061 10 0 EEAELP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1OCC(=O)N(C)C ZINC000530224207 317701575 /nfs/dbraw/zinc/70/15/75/317701575.db2.gz VLQQGRVDRUQXFH-SJLPKXTDSA-N 2 2 345.487 2.479 10 0 EEAELP C[C@@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222305 317701649 /nfs/dbraw/zinc/70/16/49/317701649.db2.gz IMJSQKBPLQOBCJ-AWEZNQCLSA-N 2 2 336.867 2.044 10 0 EEAELP Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c(C)c[nH+]1 ZINC000536620676 318004925 /nfs/dbraw/zinc/00/49/25/318004925.db2.gz REYWQSXPNXAXBS-KRWDZBQOSA-N 2 2 326.444 2.415 10 0 EEAELP CN(CCC(=O)NCCCCNc1cccc[nH+]1)c1cc[nH+]cc1 ZINC000540927374 318084678 /nfs/dbraw/zinc/08/46/78/318084678.db2.gz GZQODDJZQLBBQL-UHFFFAOYSA-N 2 2 327.432 2.311 10 0 EEAELP COc1ccsc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000547431625 318287665 /nfs/dbraw/zinc/28/76/65/318287665.db2.gz FVMONHHKZFAHEF-QWHCGFSZSA-N 2 2 348.472 2.332 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000547443192 318288867 /nfs/dbraw/zinc/28/88/67/318288867.db2.gz XASRXQAOABFZNW-SFHVURJKSA-N 2 2 330.432 2.202 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000547443192 318288869 /nfs/dbraw/zinc/28/88/69/318288869.db2.gz XASRXQAOABFZNW-SFHVURJKSA-N 2 2 330.432 2.202 10 0 EEAELP CC[C@H]1C(=O)N(CC)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000547990056 318341638 /nfs/dbraw/zinc/34/16/38/318341638.db2.gz KRHROCBKGJGYPO-KRWDZBQOSA-N 2 2 327.432 2.018 10 0 EEAELP CC[C@H]1C(=O)N(CC)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000547990056 318341640 /nfs/dbraw/zinc/34/16/40/318341640.db2.gz KRHROCBKGJGYPO-KRWDZBQOSA-N 2 2 327.432 2.018 10 0 EEAELP COc1c[nH+]ccc1N1CCN(c2nc(C)[nH+]c3c2CCCC3)CC1 ZINC000564800119 319111164 /nfs/dbraw/zinc/11/11/64/319111164.db2.gz ZOMDGJFCVFWJFH-UHFFFAOYSA-N 2 2 339.443 2.394 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000567257762 319364587 /nfs/dbraw/zinc/36/45/87/319364587.db2.gz IJWUMRARUSDJKC-IGCXYCKISA-N 2 2 328.416 2.106 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000567257762 319364588 /nfs/dbraw/zinc/36/45/88/319364588.db2.gz IJWUMRARUSDJKC-IGCXYCKISA-N 2 2 328.416 2.106 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1 ZINC000580877656 324143824 /nfs/dbraw/zinc/14/38/24/324143824.db2.gz GMVCQWQJZYZIJD-UHFFFAOYSA-N 2 2 347.507 2.451 10 0 EEAELP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000580999657 324166520 /nfs/dbraw/zinc/16/65/20/324166520.db2.gz WYBHLDMIDGZYEI-STQMWFEESA-N 2 2 337.493 2.330 10 0 EEAELP CCc1cc(NC[C@H]2C[N@H+](Cc3ccncc3)CCO2)nc(C)[nH+]1 ZINC000624708996 450959333 /nfs/dbraw/zinc/95/93/33/450959333.db2.gz ZCCGNBQOMXHVAG-KRWDZBQOSA-N 2 2 327.432 2.055 10 0 EEAELP CCc1cc(NC[C@H]2C[N@@H+](Cc3ccncc3)CCO2)nc(C)[nH+]1 ZINC000624708996 450959341 /nfs/dbraw/zinc/95/93/41/450959341.db2.gz ZCCGNBQOMXHVAG-KRWDZBQOSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000358293695 465041571 /nfs/dbraw/zinc/04/15/71/465041571.db2.gz AVESZNMGCHDDSY-IZBJGVDFSA-N 2 2 345.487 2.220 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000358293695 465041577 /nfs/dbraw/zinc/04/15/77/465041577.db2.gz AVESZNMGCHDDSY-IZBJGVDFSA-N 2 2 345.487 2.220 10 0 EEAELP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](Nc3ccc(N)[nH+]c3)CC2)n1 ZINC000328629577 465080184 /nfs/dbraw/zinc/08/01/84/465080184.db2.gz IIYNSBBRLCJPHU-CQSZACIVSA-N 2 2 327.432 2.539 10 0 EEAELP Cc1ccc(O)c(C[N@H+]2CCC[C@@H](Nc3ccc(N)[nH+]c3)CC2)n1 ZINC000328629577 465080188 /nfs/dbraw/zinc/08/01/88/465080188.db2.gz IIYNSBBRLCJPHU-CQSZACIVSA-N 2 2 327.432 2.539 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000341373543 465136149 /nfs/dbraw/zinc/13/61/49/465136149.db2.gz BQUNMUTWIWBEKZ-GASCZTMLSA-N 2 2 329.448 2.396 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000341373543 465136154 /nfs/dbraw/zinc/13/61/54/465136154.db2.gz BQUNMUTWIWBEKZ-GASCZTMLSA-N 2 2 329.448 2.396 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000341558945 465231039 /nfs/dbraw/zinc/23/10/39/465231039.db2.gz PNCUSKUTDCXOAM-IYBDPMFKSA-N 2 2 333.480 2.493 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000341558945 465231044 /nfs/dbraw/zinc/23/10/44/465231044.db2.gz PNCUSKUTDCXOAM-IYBDPMFKSA-N 2 2 333.480 2.493 10 0 EEAELP COc1cc(C[NH2+]C2CC([NH+](C)C)C2)cc(Br)c1O ZINC000520837609 468276173 /nfs/dbraw/zinc/27/61/73/468276173.db2.gz BDMDRRINAQMHSP-UHFFFAOYSA-N 2 2 329.238 2.346 10 0 EEAELP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)nn1C ZINC000337389387 465341594 /nfs/dbraw/zinc/34/15/94/465341594.db2.gz JTGVEZUVBFCMDM-INIZCTEOSA-N 2 2 328.460 2.412 10 0 EEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000113589267 462604536 /nfs/dbraw/zinc/60/45/36/462604536.db2.gz SKVHEKZVAARJFV-NVXWUHKLSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000113589267 462604539 /nfs/dbraw/zinc/60/45/39/462604539.db2.gz SKVHEKZVAARJFV-NVXWUHKLSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)CCO1 ZINC000131437942 462810327 /nfs/dbraw/zinc/81/03/27/462810327.db2.gz DCPJUWINVHZMTP-INIZCTEOSA-N 2 2 345.487 2.074 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3cccc(C(=O)N(C)C)c3)CC2)CCO1 ZINC000131437942 462810332 /nfs/dbraw/zinc/81/03/32/462810332.db2.gz DCPJUWINVHZMTP-INIZCTEOSA-N 2 2 345.487 2.074 10 0 EEAELP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048147950 462865597 /nfs/dbraw/zinc/86/55/97/462865597.db2.gz YSTPXGACUUYNOE-INIZCTEOSA-N 2 2 348.491 2.371 10 0 EEAELP CN(C)c1cc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)cc[nH+]1 ZINC000048290164 462889024 /nfs/dbraw/zinc/88/90/24/462889024.db2.gz ZFPLIZVHAJHESC-CQSZACIVSA-N 2 2 347.488 2.311 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068372231 463127952 /nfs/dbraw/zinc/12/79/52/463127952.db2.gz RQXMVAJQOBJHCZ-INIZCTEOSA-N 2 2 330.476 2.176 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000068372231 463127957 /nfs/dbraw/zinc/12/79/57/463127957.db2.gz RQXMVAJQOBJHCZ-INIZCTEOSA-N 2 2 330.476 2.176 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c[nH+]1 ZINC000157842756 463175809 /nfs/dbraw/zinc/17/58/09/463175809.db2.gz NEXLWQUUSWHURM-RDJZCZTQSA-N 2 2 347.507 2.456 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c[nH+]1 ZINC000157842756 463175814 /nfs/dbraw/zinc/17/58/14/463175814.db2.gz NEXLWQUUSWHURM-RDJZCZTQSA-N 2 2 347.507 2.456 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@H](C)C1 ZINC000081096447 463394309 /nfs/dbraw/zinc/39/43/09/463394309.db2.gz QONSZMQOUPDDQY-KGLIPLIRSA-N 2 2 337.430 2.448 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@H](C)C1 ZINC000081096447 463394314 /nfs/dbraw/zinc/39/43/14/463394314.db2.gz QONSZMQOUPDDQY-KGLIPLIRSA-N 2 2 337.430 2.448 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@H](C)C1 ZINC000081096447 463394319 /nfs/dbraw/zinc/39/43/19/463394319.db2.gz QONSZMQOUPDDQY-KGLIPLIRSA-N 2 2 337.430 2.448 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(CC(F)(F)F)C(C)C)[C@H](C)C1 ZINC000081096447 463394323 /nfs/dbraw/zinc/39/43/23/463394323.db2.gz QONSZMQOUPDDQY-KGLIPLIRSA-N 2 2 337.430 2.448 10 0 EEAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000590849654 468357135 /nfs/dbraw/zinc/35/71/35/468357135.db2.gz PKAHPTHFJXEAEM-MRXNPFEDSA-N 2 2 338.415 2.120 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000071825270 463432347 /nfs/dbraw/zinc/43/23/47/463432347.db2.gz GZFJWNSGMKZROU-SFHVURJKSA-N 2 2 340.471 2.255 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000071825270 463432354 /nfs/dbraw/zinc/43/23/54/463432354.db2.gz GZFJWNSGMKZROU-SFHVURJKSA-N 2 2 340.471 2.255 10 0 EEAELP C[N@H+](CC(=O)Nc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000071912023 463470102 /nfs/dbraw/zinc/47/01/02/463470102.db2.gz FKFUQKHTJWVYSA-HNNXBMFYSA-N 2 2 349.450 2.197 10 0 EEAELP C[N@@H+](CC(=O)Nc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000071912023 463470107 /nfs/dbraw/zinc/47/01/07/463470107.db2.gz FKFUQKHTJWVYSA-HNNXBMFYSA-N 2 2 349.450 2.197 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000057374760 463482289 /nfs/dbraw/zinc/48/22/89/463482289.db2.gz UDHCQBNEECGPHC-UHFFFAOYSA-N 2 2 342.447 2.027 10 0 EEAELP CC(C)(C[NH2+]C[C@@H]1CNc2ccnn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000058326336 463578788 /nfs/dbraw/zinc/57/87/88/463578788.db2.gz SUYXGLGMOXYYRE-MRXNPFEDSA-N 2 2 339.487 2.351 10 0 EEAELP CC(C)(C[NH2+]C[C@@H]1CNc2ccnn2C1)[N@H+]1CCc2ccccc2C1 ZINC000058326336 463578792 /nfs/dbraw/zinc/57/87/92/463578792.db2.gz SUYXGLGMOXYYRE-MRXNPFEDSA-N 2 2 339.487 2.351 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163411907 463587236 /nfs/dbraw/zinc/58/72/36/463587236.db2.gz GMIWTMMJKGGAPM-YOEHRIQHSA-N 2 2 349.475 2.415 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163411907 463587239 /nfs/dbraw/zinc/58/72/39/463587239.db2.gz GMIWTMMJKGGAPM-YOEHRIQHSA-N 2 2 349.475 2.415 10 0 EEAELP Cc1cccn2c(C[NH2+][C@@H]3CCN(C(=O)C4CC4)C[C@@H]3C)c[nH+]c12 ZINC000084247941 463587890 /nfs/dbraw/zinc/58/78/90/463587890.db2.gz QAFXVCUTEBZWDA-WMLDXEAASA-N 2 2 326.444 2.379 10 0 EEAELP C[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]([NH3+])c1ccccc1 ZINC000164798933 463632060 /nfs/dbraw/zinc/63/20/60/463632060.db2.gz SEAPSQBOAJROBN-RHSMWYFYSA-N 2 2 335.411 2.220 10 0 EEAELP Cc1cccn2c(=O)cc(C[N@H+](CC[NH3+])CCc3ccccc3)nc12 ZINC000261824615 463870875 /nfs/dbraw/zinc/87/08/75/463870875.db2.gz UXCZABHQPIOFIJ-UHFFFAOYSA-N 2 2 336.439 2.006 10 0 EEAELP Cc1cccn2c(=O)cc(C[N@@H+](CC[NH3+])CCc3ccccc3)nc12 ZINC000261824615 463870878 /nfs/dbraw/zinc/87/08/78/463870878.db2.gz UXCZABHQPIOFIJ-UHFFFAOYSA-N 2 2 336.439 2.006 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)N(C)C)cc1 ZINC000261865555 463881927 /nfs/dbraw/zinc/88/19/27/463881927.db2.gz COKMBMFFRFUKPV-NMLBUPMWSA-N 2 2 331.504 2.344 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CN1Cc1ccccc1 ZINC000261964526 463912390 /nfs/dbraw/zinc/91/23/90/463912390.db2.gz PYPYOMWCBKELFW-RSRIQPTJSA-N 2 2 343.515 2.396 10 0 EEAELP Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178747310 463961501 /nfs/dbraw/zinc/96/15/01/463961501.db2.gz JAACZCFCYYJNGS-HNNXBMFYSA-N 2 2 332.473 2.342 10 0 EEAELP Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178747310 463961503 /nfs/dbraw/zinc/96/15/03/463961503.db2.gz JAACZCFCYYJNGS-HNNXBMFYSA-N 2 2 332.473 2.342 10 0 EEAELP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000263202243 464062610 /nfs/dbraw/zinc/06/26/10/464062610.db2.gz JEPJGNUZWUKMHH-TZMCWYRMSA-N 2 2 325.403 2.229 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)CCO1 ZINC000179785350 464187964 /nfs/dbraw/zinc/18/79/64/464187964.db2.gz CDFLUUMWSPRJTE-OAHLLOKOSA-N 2 2 334.508 2.403 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)CCO1 ZINC000179785350 464187968 /nfs/dbraw/zinc/18/79/68/464187968.db2.gz CDFLUUMWSPRJTE-OAHLLOKOSA-N 2 2 334.508 2.403 10 0 EEAELP COc1ccc(-c2nc(C[N@H+](C)CCCn3cc[nH+]c3)no2)cc1 ZINC000181057284 464438616 /nfs/dbraw/zinc/43/86/16/464438616.db2.gz OMBGJOQZJTYYOZ-UHFFFAOYSA-N 2 2 327.388 2.464 10 0 EEAELP COc1ccc(-c2nc(C[N@@H+](C)CCCn3cc[nH+]c3)no2)cc1 ZINC000181057284 464438623 /nfs/dbraw/zinc/43/86/23/464438623.db2.gz OMBGJOQZJTYYOZ-UHFFFAOYSA-N 2 2 327.388 2.464 10 0 EEAELP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174888120 464464424 /nfs/dbraw/zinc/46/44/24/464464424.db2.gz ZFCVCTIBUZAADS-HKUYNNGSSA-N 2 2 344.503 2.116 10 0 EEAELP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174888120 464464432 /nfs/dbraw/zinc/46/44/32/464464432.db2.gz ZFCVCTIBUZAADS-HKUYNNGSSA-N 2 2 344.503 2.116 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2nnc(C3CCC3)n2C)CC1 ZINC000181299219 464468776 /nfs/dbraw/zinc/46/87/76/464468776.db2.gz AWZLPHVVBCXOAI-UHFFFAOYSA-N 2 2 328.464 2.271 10 0 EEAELP O=S(=O)(CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000265555219 464600228 /nfs/dbraw/zinc/60/02/28/464600228.db2.gz ZLHUJJFNFWJVMF-UHFFFAOYSA-N 2 2 333.457 2.453 10 0 EEAELP CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177374335 464998176 /nfs/dbraw/zinc/99/81/76/464998176.db2.gz CAVBUVIQHQWVFE-HNNXBMFYSA-N 2 2 328.416 2.431 10 0 EEAELP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177374335 464998179 /nfs/dbraw/zinc/99/81/79/464998179.db2.gz CAVBUVIQHQWVFE-HNNXBMFYSA-N 2 2 328.416 2.431 10 0 EEAELP COc1ccc([C@H](C)C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000342944865 465404967 /nfs/dbraw/zinc/40/49/67/465404967.db2.gz VAUBVHYZEBZMKL-MRXNPFEDSA-N 2 2 328.460 2.350 10 0 EEAELP COCC[C@H](c1ccccc1)[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000339864507 465560508 /nfs/dbraw/zinc/56/05/08/465560508.db2.gz DPXLJNQMZNBAJH-GOSISDBHSA-N 2 2 328.460 2.316 10 0 EEAELP CC[C@@H]1CN(c2nc(C)[nH+]c(N(C)C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000353272304 465762924 /nfs/dbraw/zinc/76/29/24/465762924.db2.gz LNYHAMXCBRWDHF-QGZVFWFLSA-N 2 2 340.475 2.347 10 0 EEAELP CC[C@@H]1CN(c2nc(C)[nH+]c(N(C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000353272304 465762927 /nfs/dbraw/zinc/76/29/27/465762927.db2.gz LNYHAMXCBRWDHF-QGZVFWFLSA-N 2 2 340.475 2.347 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCOCC1 ZINC000361336647 465917703 /nfs/dbraw/zinc/91/77/03/465917703.db2.gz RCGIVRRYINFZSK-ICSRJNTNSA-N 2 2 331.504 2.209 10 0 EEAELP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[N@H+]1CCCOCC1 ZINC000361336647 465917725 /nfs/dbraw/zinc/91/77/25/465917725.db2.gz RCGIVRRYINFZSK-ICSRJNTNSA-N 2 2 331.504 2.209 10 0 EEAELP CC(C)(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1c[nH]c[nH+]1 ZINC000346158177 465945439 /nfs/dbraw/zinc/94/54/39/465945439.db2.gz WEHQTFGCEYMRCY-UHFFFAOYSA-N 2 2 326.444 2.252 10 0 EEAELP CC(C)(C(=O)NCCC[N@H+]1CCc2ccccc2C1)c1c[nH]c[nH+]1 ZINC000346158177 465945451 /nfs/dbraw/zinc/94/54/51/465945451.db2.gz WEHQTFGCEYMRCY-UHFFFAOYSA-N 2 2 326.444 2.252 10 0 EEAELP C[NH+](C)CCN(Cc1cc(-n2cc[nH+]c2)cs1)C[C@H]1CCCO1 ZINC000349070050 465950122 /nfs/dbraw/zinc/95/01/22/465950122.db2.gz AQDIQVLSJRCROA-MRXNPFEDSA-N 2 2 334.489 2.476 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000340334332 466000083 /nfs/dbraw/zinc/00/00/83/466000083.db2.gz RNJSXJGZPCVCMH-ZWKOTPCHSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000340334332 466000092 /nfs/dbraw/zinc/00/00/92/466000092.db2.gz RNJSXJGZPCVCMH-ZWKOTPCHSA-N 2 2 345.487 2.003 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CCOc2ccccc2F)CC1 ZINC000361518602 466066967 /nfs/dbraw/zinc/06/69/67/466066967.db2.gz KCAWKDMCQMUXKT-UHFFFAOYSA-N 2 2 331.391 2.430 10 0 EEAELP CN(C(=O)c1ccc(NCc2[nH+]ccn2C)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000367063968 466105751 /nfs/dbraw/zinc/10/57/51/466105751.db2.gz AEHAUSQAMNOVIE-QGZVFWFLSA-N 2 2 341.459 2.198 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000304486563 466304175 /nfs/dbraw/zinc/30/41/75/466304175.db2.gz CCNSSEATTQLXSI-APWZRJJASA-N 2 2 336.451 2.212 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000304486563 466304183 /nfs/dbraw/zinc/30/41/83/466304183.db2.gz CCNSSEATTQLXSI-APWZRJJASA-N 2 2 336.451 2.212 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C2 ZINC000372402722 466355010 /nfs/dbraw/zinc/35/50/10/466355010.db2.gz YBVRWEHIXOXDCU-JJRVBVJISA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C2 ZINC000372402722 466355013 /nfs/dbraw/zinc/35/50/13/466355013.db2.gz YBVRWEHIXOXDCU-JJRVBVJISA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)CC2 ZINC000372402722 466355020 /nfs/dbraw/zinc/35/50/20/466355020.db2.gz YBVRWEHIXOXDCU-JJRVBVJISA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)CC2 ZINC000372402722 466355028 /nfs/dbraw/zinc/35/50/28/466355028.db2.gz YBVRWEHIXOXDCU-JJRVBVJISA-N 2 2 332.492 2.437 10 0 EEAELP CN(C)c1nc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000354295427 466451610 /nfs/dbraw/zinc/45/16/10/466451610.db2.gz IQZGNCPHQHOTNH-KRWDZBQOSA-N 2 2 325.460 3.009 10 0 EEAELP CN(C)c1nc(NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000354295427 466451616 /nfs/dbraw/zinc/45/16/16/466451616.db2.gz IQZGNCPHQHOTNH-KRWDZBQOSA-N 2 2 325.460 3.009 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000354334492 466485257 /nfs/dbraw/zinc/48/52/57/466485257.db2.gz NEBDZAVLEDUDBR-QGZVFWFLSA-N 2 2 332.423 2.212 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000354334492 466485264 /nfs/dbraw/zinc/48/52/64/466485264.db2.gz NEBDZAVLEDUDBR-QGZVFWFLSA-N 2 2 332.423 2.212 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)Cc1ccccc1 ZINC000347313884 466557098 /nfs/dbraw/zinc/55/70/98/466557098.db2.gz DPYXZFRLKHWOBR-AEFFLSMTSA-N 2 2 340.471 2.380 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCCc2ccccc21 ZINC000324614398 466648840 /nfs/dbraw/zinc/64/88/40/466648840.db2.gz LVABHKVOXYPGHX-MSOLQXFVSA-N 2 2 327.472 2.430 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCCc2ccccc21 ZINC000324614398 466648842 /nfs/dbraw/zinc/64/88/42/466648842.db2.gz LVABHKVOXYPGHX-MSOLQXFVSA-N 2 2 327.472 2.430 10 0 EEAELP CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368514159 466655752 /nfs/dbraw/zinc/65/57/52/466655752.db2.gz LIRYRGTWGDBDNI-OAHLLOKOSA-N 2 2 339.505 2.222 10 0 EEAELP CC(C)S(=O)(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368514159 466655758 /nfs/dbraw/zinc/65/57/58/466655758.db2.gz LIRYRGTWGDBDNI-OAHLLOKOSA-N 2 2 339.505 2.222 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000368608930 466687845 /nfs/dbraw/zinc/68/78/45/466687845.db2.gz TUSJOZVXFYXNTO-OKZBNKHCSA-N 2 2 336.501 2.313 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000368608930 466687848 /nfs/dbraw/zinc/68/78/48/466687848.db2.gz TUSJOZVXFYXNTO-OKZBNKHCSA-N 2 2 336.501 2.313 10 0 EEAELP c1cn(-c2ccc(N3C[C@@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)nn2)c[nH+]1 ZINC000409430476 466688640 /nfs/dbraw/zinc/68/86/40/466688640.db2.gz VUSBTYLBUSXIFD-ROUUACIJSA-N 2 2 346.438 2.231 10 0 EEAELP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423240296 466702567 /nfs/dbraw/zinc/70/25/67/466702567.db2.gz CBCOJELZDGLDRW-ROUUACIJSA-N 2 2 345.468 2.001 10 0 EEAELP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423242220 466702846 /nfs/dbraw/zinc/70/28/46/466702846.db2.gz DZLHACBEQQGSTM-PBHICJAKSA-N 2 2 347.484 2.301 10 0 EEAELP Brc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000423569997 466775435 /nfs/dbraw/zinc/77/54/35/466775435.db2.gz MVDATZHLOATVMN-CABCVRRESA-N 2 2 325.250 2.478 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000375072199 466795722 /nfs/dbraw/zinc/79/57/22/466795722.db2.gz YFBMUJAHEDAAJZ-CQSZACIVSA-N 2 2 330.476 2.133 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc[nH]c2C2CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375072199 466795726 /nfs/dbraw/zinc/79/57/26/466795726.db2.gz YFBMUJAHEDAAJZ-CQSZACIVSA-N 2 2 330.476 2.133 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417945498 466997394 /nfs/dbraw/zinc/99/73/94/466997394.db2.gz DJTMWPAZMDHXRG-HFBAOOFYSA-N 2 2 340.418 2.007 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417945498 466997397 /nfs/dbraw/zinc/99/73/97/466997397.db2.gz DJTMWPAZMDHXRG-HFBAOOFYSA-N 2 2 340.418 2.007 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H](F)C3)CC2)CC1 ZINC000424620930 467077541 /nfs/dbraw/zinc/07/75/41/467077541.db2.gz ADETVCMYIMHFLU-HUUCEWRRSA-N 2 2 325.472 2.190 10 0 EEAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418242675 467083247 /nfs/dbraw/zinc/08/32/47/467083247.db2.gz COMJUKUBWXHTJE-SWLSCSKDSA-N 2 2 347.850 2.323 10 0 EEAELP CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1CCCn1cc[nH+]c1C ZINC000425541731 467107428 /nfs/dbraw/zinc/10/74/28/467107428.db2.gz PXHDSNIAZABZLE-GOSISDBHSA-N 2 2 326.444 2.145 10 0 EEAELP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000418721112 467150131 /nfs/dbraw/zinc/15/01/31/467150131.db2.gz KJRHEQJGPNWAPU-OLZOCXBDSA-N 2 2 329.448 2.427 10 0 EEAELP CC[C@@H](C)[NH+]1CCN(Cc2cccc(N(CC)CCOC)[nH+]2)CC1 ZINC000451839406 467269759 /nfs/dbraw/zinc/26/97/59/467269759.db2.gz JUOCPFQAQQRBFL-QGZVFWFLSA-N 2 2 334.508 2.470 10 0 EEAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415164515 467506567 /nfs/dbraw/zinc/50/65/67/467506567.db2.gz YOARZLFEMQBCBN-GJZGRUSLSA-N 2 2 343.431 2.082 10 0 EEAELP OCCN1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449389641 467635511 /nfs/dbraw/zinc/63/55/11/467635511.db2.gz DLMXKGGUVAEWCF-OAQYLSRUSA-N 2 2 345.531 2.130 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000449392136 467637023 /nfs/dbraw/zinc/63/70/23/467637023.db2.gz JBQPGTXFQQZHSJ-OAHLLOKOSA-N 2 2 332.423 2.152 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000449392136 467637024 /nfs/dbraw/zinc/63/70/24/467637024.db2.gz JBQPGTXFQQZHSJ-OAHLLOKOSA-N 2 2 332.423 2.152 10 0 EEAELP CCC(CC)[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCCC1 ZINC000457612174 467662140 /nfs/dbraw/zinc/66/21/40/467662140.db2.gz LAJAOPZWWOKZAN-KRWDZBQOSA-N 2 2 335.496 2.162 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000528918136 467777550 /nfs/dbraw/zinc/77/75/50/467777550.db2.gz IQMLJALIEYAFCC-DOTOQJQBSA-N 2 2 332.835 2.407 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000528918136 467777555 /nfs/dbraw/zinc/77/75/55/467777555.db2.gz IQMLJALIEYAFCC-DOTOQJQBSA-N 2 2 332.835 2.407 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000514992701 467967009 /nfs/dbraw/zinc/96/70/09/467967009.db2.gz LPZJGOQJMKYIMZ-GOSISDBHSA-N 2 2 326.444 2.080 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000514992701 467967011 /nfs/dbraw/zinc/96/70/11/467967011.db2.gz LPZJGOQJMKYIMZ-GOSISDBHSA-N 2 2 326.444 2.080 10 0 EEAELP C[C@@H]1C[C@H](C)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466150225 467971326 /nfs/dbraw/zinc/97/13/26/467971326.db2.gz WHWNPAGWMOGRLJ-SJORKVTESA-N 2 2 336.524 2.377 10 0 EEAELP Cc1nc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000488387352 468084581 /nfs/dbraw/zinc/08/45/81/468084581.db2.gz PUULVGHTKYNPAJ-GDBMZVCRSA-N 2 2 332.496 2.337 10 0 EEAELP Cc1nc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000488387352 468084583 /nfs/dbraw/zinc/08/45/83/468084583.db2.gz PUULVGHTKYNPAJ-GDBMZVCRSA-N 2 2 332.496 2.337 10 0 EEAELP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000518376166 468114095 /nfs/dbraw/zinc/11/40/95/468114095.db2.gz OLIYVVZPRSHWJY-ZDUSSCGKSA-N 3 2 344.463 2.176 10 0 EEAELP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000518376166 468114096 /nfs/dbraw/zinc/11/40/96/468114096.db2.gz OLIYVVZPRSHWJY-ZDUSSCGKSA-N 3 2 344.463 2.176 10 0 EEAELP CC(C)([NH3+])c1noc(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000518376166 468114099 /nfs/dbraw/zinc/11/40/99/468114099.db2.gz OLIYVVZPRSHWJY-ZDUSSCGKSA-N 2 2 344.463 2.176 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519638648 468187508 /nfs/dbraw/zinc/18/75/08/468187508.db2.gz ACHZJOZEQUWNJT-ARFHVFGLSA-N 2 2 339.842 2.468 10 0 EEAELP C[C@H](N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1)C(F)(F)F ZINC000568051495 468264681 /nfs/dbraw/zinc/26/46/81/468264681.db2.gz ODGHADGTQYUQTH-ZDUSSCGKSA-N 2 2 327.394 2.401 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000556765030 468568503 /nfs/dbraw/zinc/56/85/03/468568503.db2.gz APKHPIVXKUJQJM-IPYPFGDCSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000556765030 468568505 /nfs/dbraw/zinc/56/85/05/468568505.db2.gz APKHPIVXKUJQJM-IPYPFGDCSA-N 2 2 328.416 2.106 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000557113378 468612608 /nfs/dbraw/zinc/61/26/08/468612608.db2.gz ATQQHTQONHQUBT-QGZVFWFLSA-N 2 2 347.850 2.273 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000557544043 468635071 /nfs/dbraw/zinc/63/50/71/468635071.db2.gz SBNZAAYZKRIXEE-INIZCTEOSA-N 2 2 330.476 2.276 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000557544043 468635076 /nfs/dbraw/zinc/63/50/76/468635076.db2.gz SBNZAAYZKRIXEE-INIZCTEOSA-N 2 2 330.476 2.276 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000559374409 468740518 /nfs/dbraw/zinc/74/05/18/468740518.db2.gz PKDPNXXCQCGTSN-ZNMIVQPWSA-N 2 2 341.459 2.428 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000559374409 468740524 /nfs/dbraw/zinc/74/05/24/468740524.db2.gz PKDPNXXCQCGTSN-ZNMIVQPWSA-N 2 2 341.459 2.428 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583753596 468750768 /nfs/dbraw/zinc/75/07/68/468750768.db2.gz WFQCRTZWUDAKDS-OXFYSEKESA-N 2 2 343.471 2.090 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583753596 468750770 /nfs/dbraw/zinc/75/07/70/468750770.db2.gz WFQCRTZWUDAKDS-OXFYSEKESA-N 2 2 343.471 2.090 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000584872768 468952271 /nfs/dbraw/zinc/95/22/71/468952271.db2.gz HDAREZQLZSDUAC-WMZOPIPTSA-N 2 2 326.444 2.395 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000584872768 468952273 /nfs/dbraw/zinc/95/22/73/468952273.db2.gz HDAREZQLZSDUAC-WMZOPIPTSA-N 2 2 326.444 2.395 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000584872782 468952378 /nfs/dbraw/zinc/95/23/78/468952378.db2.gz IRGDHLWEUQOHEF-PBHICJAKSA-N 2 2 345.422 2.008 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000584872782 468952381 /nfs/dbraw/zinc/95/23/81/468952381.db2.gz IRGDHLWEUQOHEF-PBHICJAKSA-N 2 2 345.422 2.008 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](C)S(C)(=O)=O)CC1 ZINC000562653721 469020786 /nfs/dbraw/zinc/02/07/86/469020786.db2.gz MJCVPKFPKAKPJA-HZPDHXFCSA-N 2 2 338.517 2.105 10 0 EEAELP CS[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)C[C@@H]1[NH+](C)C ZINC000599059946 469104323 /nfs/dbraw/zinc/10/43/23/469104323.db2.gz QNTHUOWQUTVSQU-JKSUJKDBSA-N 2 2 327.457 2.364 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)Cc1ccc(F)cc1C ZINC000573964103 469238159 /nfs/dbraw/zinc/23/81/59/469238159.db2.gz RWULESNIHSVBSK-UWWQBHOKSA-N 2 2 347.478 2.254 10 0 EEAELP 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C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000643545260 470717751 /nfs/dbraw/zinc/71/77/51/470717751.db2.gz SGBNPGREAOVSFD-ZBFHGGJFSA-N 2 2 337.489 2.019 10 0 EEAELP Cn1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nnc1-c1ccccc1 ZINC000647903833 471012994 /nfs/dbraw/zinc/01/29/94/471012994.db2.gz QRJZWBBYYDEOFW-IRXDYDNUSA-N 2 2 325.460 2.446 10 0 EEAELP Cn1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nnc1-c1ccccc1 ZINC000647903833 471012999 /nfs/dbraw/zinc/01/29/99/471012999.db2.gz QRJZWBBYYDEOFW-IRXDYDNUSA-N 2 2 325.460 2.446 10 0 EEAELP [NH3+]CC1(CCNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000652235897 471260133 /nfs/dbraw/zinc/26/01/33/471260133.db2.gz WMEXZAKOKRBROJ-OAHLLOKOSA-N 2 2 345.491 2.237 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000652285247 471266853 /nfs/dbraw/zinc/26/68/53/471266853.db2.gz RPLQVNMXJVLQDW-UHFFFAOYSA-N 2 2 327.432 2.218 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C[C@H]1C[NH3+] ZINC000652356287 471278476 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ZINC000670079911 471671488 /nfs/dbraw/zinc/67/14/88/471671488.db2.gz CLGNCOCZYWRYKF-UHFFFAOYSA-N 2 2 331.464 2.052 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000670081867 471672410 /nfs/dbraw/zinc/67/24/10/471672410.db2.gz ZJHNRDSHNFDMJU-FUHWJXTLSA-N 2 2 339.443 2.136 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000670081867 471672415 /nfs/dbraw/zinc/67/24/15/471672415.db2.gz ZJHNRDSHNFDMJU-FUHWJXTLSA-N 2 2 339.443 2.136 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000653636892 471697268 /nfs/dbraw/zinc/69/72/68/471697268.db2.gz UKDYELCHZPNIDM-DGCLKSJQSA-N 2 2 345.281 2.421 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000653636892 471697275 /nfs/dbraw/zinc/69/72/75/471697275.db2.gz UKDYELCHZPNIDM-DGCLKSJQSA-N 2 2 345.281 2.421 10 0 EEAELP CCCCNc1cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)nc(N)[nH+]1 ZINC000656609980 471781116 /nfs/dbraw/zinc/78/11/16/471781116.db2.gz YBYGFSHQSRUIOR-OAHLLOKOSA-N 2 2 332.496 2.487 10 0 EEAELP CCCCNc1cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)[nH+]c(N)n1 ZINC000656609980 471781120 /nfs/dbraw/zinc/78/11/20/471781120.db2.gz YBYGFSHQSRUIOR-OAHLLOKOSA-N 2 2 332.496 2.487 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000656702406 471811836 /nfs/dbraw/zinc/81/18/36/471811836.db2.gz PRQPNHFYYLLBFF-SJORKVTESA-N 2 2 334.460 2.091 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000656702406 471811838 /nfs/dbraw/zinc/81/18/38/471811838.db2.gz PRQPNHFYYLLBFF-SJORKVTESA-N 2 2 334.460 2.091 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000660305584 471935136 /nfs/dbraw/zinc/93/51/36/471935136.db2.gz NINPHPCYQOHDFS-INIZCTEOSA-N 2 2 345.491 2.354 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000660305584 471935141 /nfs/dbraw/zinc/93/51/41/471935141.db2.gz NINPHPCYQOHDFS-INIZCTEOSA-N 2 2 345.491 2.354 10 0 EEAELP COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@H]2C[NH2+]CCO2)cc1OC ZINC000662258514 472046156 /nfs/dbraw/zinc/04/61/56/472046156.db2.gz VODCMVJDQKHQFT-ZWKOTPCHSA-N 2 2 348.487 2.479 10 0 EEAELP COc1ccc(CC[C@@H]2CCCC[N@H+]2C[C@H]2C[NH2+]CCO2)cc1OC ZINC000662258514 472046162 /nfs/dbraw/zinc/04/61/62/472046162.db2.gz VODCMVJDQKHQFT-ZWKOTPCHSA-N 2 2 348.487 2.479 10 0 EEAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662315331 472067064 /nfs/dbraw/zinc/06/70/64/472067064.db2.gz DYDQBBIRJJVRDP-OWSLCNJRSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662315331 472067068 /nfs/dbraw/zinc/06/70/68/472067068.db2.gz DYDQBBIRJJVRDP-OWSLCNJRSA-N 2 2 339.524 2.112 10 0 EEAELP CC1(C)OCc2cc(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)ccc2O1 ZINC000668738191 472246330 /nfs/dbraw/zinc/24/63/30/472246330.db2.gz BWNCXEGJKHZEET-SFHVURJKSA-N 2 2 346.471 2.363 10 0 EEAELP CC1(C)OCc2cc(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)ccc2O1 ZINC000668738191 472246336 /nfs/dbraw/zinc/24/63/36/472246336.db2.gz BWNCXEGJKHZEET-SFHVURJKSA-N 2 2 346.471 2.363 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C(C)C ZINC000662825203 472268263 /nfs/dbraw/zinc/26/82/63/472268263.db2.gz FJZCIFHKYZQXFD-APWZRJJASA-N 2 2 346.519 2.447 10 0 EEAELP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C(C)C ZINC000662825203 472268267 /nfs/dbraw/zinc/26/82/67/472268267.db2.gz FJZCIFHKYZQXFD-APWZRJJASA-N 2 2 346.519 2.447 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000673862513 485560444 /nfs/dbraw/zinc/56/04/44/485560444.db2.gz LQEQLHOXRWKTHZ-ZDUSSCGKSA-N 2 2 337.387 2.402 10 0 EEAELP CCc1ccc([C@H](C[NH+]2CCOCC2)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629543261 485730304 /nfs/dbraw/zinc/73/03/04/485730304.db2.gz XIXIXYSGWUDJLS-AHRSYUTCSA-N 2 2 331.504 2.352 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000680330324 485941593 /nfs/dbraw/zinc/94/15/93/485941593.db2.gz UEHVOHFKPJDIJN-LJQANCHMSA-N 2 2 347.422 2.160 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000680330324 485941598 /nfs/dbraw/zinc/94/15/98/485941598.db2.gz UEHVOHFKPJDIJN-LJQANCHMSA-N 2 2 347.422 2.160 10 0 EEAELP CC[N@@H+]1CCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1C ZINC000671626328 485954257 /nfs/dbraw/zinc/95/42/57/485954257.db2.gz UNQPUXDXCCMHLB-GJZGRUSLSA-N 2 2 341.459 2.430 10 0 EEAELP CC[N@H+]1CCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1C ZINC000671626328 485954264 /nfs/dbraw/zinc/95/42/64/485954264.db2.gz UNQPUXDXCCMHLB-GJZGRUSLSA-N 2 2 341.459 2.430 10 0 EEAELP c1ccc(N2CCC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)[nH+]c1 ZINC000675882652 486089182 /nfs/dbraw/zinc/08/91/82/486089182.db2.gz UASKGQAYYZDBRJ-IBGZPJMESA-N 3 2 344.503 2.283 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccoc3C(F)(F)F)C2)CC1 ZINC000685734359 486178530 /nfs/dbraw/zinc/17/85/30/486178530.db2.gz JMSFTGCFXWDQPA-NSHDSACASA-N 2 2 345.365 2.197 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccoc3C(F)(F)F)C2)CC1 ZINC000685734359 486178537 /nfs/dbraw/zinc/17/85/37/486178537.db2.gz JMSFTGCFXWDQPA-NSHDSACASA-N 2 2 345.365 2.197 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000681697002 486308712 /nfs/dbraw/zinc/30/87/12/486308712.db2.gz IBPKMJAKSKLGEJ-PMACEKPBSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000681697002 486308718 /nfs/dbraw/zinc/30/87/18/486308718.db2.gz IBPKMJAKSKLGEJ-PMACEKPBSA-N 2 2 332.488 2.370 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000681697002 486308723 /nfs/dbraw/zinc/30/87/23/486308723.db2.gz IBPKMJAKSKLGEJ-PMACEKPBSA-N 2 2 332.488 2.370 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000681697002 486308727 /nfs/dbraw/zinc/30/87/27/486308727.db2.gz IBPKMJAKSKLGEJ-PMACEKPBSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000681972537 486397346 /nfs/dbraw/zinc/39/73/46/486397346.db2.gz GSWDVAZSWHYVIG-HWOWSKLDSA-N 2 2 341.455 2.278 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)C1 ZINC000681972537 486397349 /nfs/dbraw/zinc/39/73/49/486397349.db2.gz GSWDVAZSWHYVIG-HWOWSKLDSA-N 2 2 341.455 2.278 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678285378 486611241 /nfs/dbraw/zinc/61/12/41/486611241.db2.gz ZLBHMDZNDFZYST-MRXNPFEDSA-N 2 2 334.439 2.406 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678285378 486611244 /nfs/dbraw/zinc/61/12/44/486611244.db2.gz ZLBHMDZNDFZYST-MRXNPFEDSA-N 2 2 334.439 2.406 10 0 EEAELP CO[C@H](C)c1noc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000678298978 486615393 /nfs/dbraw/zinc/61/53/93/486615393.db2.gz XDWSMFGFTODCNC-CQSZACIVSA-N 2 2 348.447 2.349 10 0 EEAELP CO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000678298978 486615395 /nfs/dbraw/zinc/61/53/95/486615395.db2.gz XDWSMFGFTODCNC-CQSZACIVSA-N 2 2 348.447 2.349 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000120844024 490616586 /nfs/dbraw/zinc/61/65/86/490616586.db2.gz XYQGOQYJXGKEFB-SFHVURJKSA-N 2 2 333.524 2.240 10 0 EEAELP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000120844024 490616592 /nfs/dbraw/zinc/61/65/92/490616592.db2.gz XYQGOQYJXGKEFB-SFHVURJKSA-N 2 2 333.524 2.240 10 0 EEAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000120844024 490616601 /nfs/dbraw/zinc/61/66/01/490616601.db2.gz XYQGOQYJXGKEFB-SFHVURJKSA-N 2 2 333.524 2.240 10 0 EEAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2cnn(C(C)(C)C)c2)CC1 ZINC000120844024 490616605 /nfs/dbraw/zinc/61/66/05/490616605.db2.gz XYQGOQYJXGKEFB-SFHVURJKSA-N 2 2 333.524 2.240 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000348154727 490753832 /nfs/dbraw/zinc/75/38/32/490753832.db2.gz BLWNHFUCLMUGSD-LRDDRELGSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000348154727 490753835 /nfs/dbraw/zinc/75/38/35/490753835.db2.gz BLWNHFUCLMUGSD-LRDDRELGSA-N 2 2 328.416 2.106 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)c2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000174135630 528967173 /nfs/dbraw/zinc/96/71/73/528967173.db2.gz SMSOWBTVRLMKLP-UHFFFAOYSA-N 2 2 327.432 2.119 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(CCF)CC3)CC2)CC1 ZINC000422025581 535462666 /nfs/dbraw/zinc/46/26/66/535462666.db2.gz SLSHYZUMRDZARD-UHFFFAOYSA-N 2 2 325.472 2.145 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(CCF)CC3)CC2)CC1 ZINC000422025581 535462667 /nfs/dbraw/zinc/46/26/67/535462667.db2.gz SLSHYZUMRDZARD-UHFFFAOYSA-N 2 2 325.472 2.145 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCN2CCCC2=O)[C@H]2CCC[NH2+]2)cc1 ZINC000422773867 536929992 /nfs/dbraw/zinc/92/99/92/536929992.db2.gz UZUVIMXUWUBECO-MJGOQNOKSA-N 2 2 331.460 2.090 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000727838381 576453488 /nfs/dbraw/zinc/45/34/88/576453488.db2.gz KJYKUNLONVNDDK-CVEARBPZSA-N 2 2 341.496 2.086 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000727838381 576453491 /nfs/dbraw/zinc/45/34/91/576453491.db2.gz KJYKUNLONVNDDK-CVEARBPZSA-N 2 2 341.496 2.086 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000764492238 577737401 /nfs/dbraw/zinc/73/74/01/577737401.db2.gz APOGCMSSQPTZGE-INIZCTEOSA-N 2 2 327.432 2.148 10 0 EEAELP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000764492238 577737402 /nfs/dbraw/zinc/73/74/02/577737402.db2.gz APOGCMSSQPTZGE-INIZCTEOSA-N 2 2 327.432 2.148 10 0 EEAELP COC(=O)[C@@H]1[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1(F)F ZINC000894777498 683086706 /nfs/dbraw/zinc/08/67/06/683086706.db2.gz QZIRLESCOVTLGB-GJZGRUSLSA-N 2 2 341.402 2.430 10 0 EEAELP COC(=O)[C@@H]1[C@H](C[NH2+][C@H](Cn2cc[nH+]c2)c2ccccc2)C1(F)F ZINC000895706035 684690762 /nfs/dbraw/zinc/69/07/62/684690762.db2.gz HHEXZBPWXZIZLR-ZNMIVQPWSA-N 2 2 335.354 2.268 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(Cl)n1 ZINC001485792149 1191954825 /nfs/dbraw/zinc/95/48/25/1191954825.db2.gz YGWVGPMRLHFIRK-CQSZACIVSA-N 2 2 349.866 2.321 10 0 EEAELP COCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266469162 1176594927 /nfs/dbraw/zinc/59/49/27/1176594927.db2.gz GEXONXORTSISHY-DLBZAZTESA-N 2 2 336.480 2.041 10 0 EEAELP COCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266469162 1176594936 /nfs/dbraw/zinc/59/49/36/1176594936.db2.gz GEXONXORTSISHY-DLBZAZTESA-N 2 2 336.480 2.041 10 0 EEAELP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266602265 1176928288 /nfs/dbraw/zinc/92/82/88/1176928288.db2.gz ZJKYREIPBHNGRR-ZPPHWLAZSA-N 2 2 330.476 2.429 10 0 EEAELP CCc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001266745864 1177337643 /nfs/dbraw/zinc/33/76/43/1177337643.db2.gz MXBHIXWOLUKJHW-GOSISDBHSA-N 2 2 340.471 2.256 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001266801081 1177453476 /nfs/dbraw/zinc/45/34/76/1177453476.db2.gz JNHYTJZFHBLCEX-IBGZPJMESA-N 2 2 340.471 2.344 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001691090015 1177559347 /nfs/dbraw/zinc/55/93/47/1177559347.db2.gz ZLVCFBDHUUJIIR-OAHLLOKOSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001691090015 1177559350 /nfs/dbraw/zinc/55/93/50/1177559350.db2.gz ZLVCFBDHUUJIIR-OAHLLOKOSA-N 2 2 347.850 2.021 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001266869493 1177642541 /nfs/dbraw/zinc/64/25/41/1177642541.db2.gz AVJBSKJQNAMAKD-AWEZNQCLSA-N 2 2 332.423 2.306 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001266869493 1177642547 /nfs/dbraw/zinc/64/25/47/1177642547.db2.gz AVJBSKJQNAMAKD-AWEZNQCLSA-N 2 2 332.423 2.306 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001266885322 1177705839 /nfs/dbraw/zinc/70/58/39/1177705839.db2.gz DPTDSQHFYGTPNM-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001266885322 1177705843 /nfs/dbraw/zinc/70/58/43/1177705843.db2.gz DPTDSQHFYGTPNM-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001266885322 1177705846 /nfs/dbraw/zinc/70/58/46/1177705846.db2.gz DPTDSQHFYGTPNM-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001266885322 1177705847 /nfs/dbraw/zinc/70/58/47/1177705847.db2.gz DPTDSQHFYGTPNM-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001691235817 1177754530 /nfs/dbraw/zinc/75/45/30/1177754530.db2.gz OCKABWMFIMHAKN-YESZJQIVSA-N 2 2 330.476 2.286 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc2ccccc2s1 ZINC001266981620 1178007927 /nfs/dbraw/zinc/00/79/27/1178007927.db2.gz NXHZYOSPLQZIQY-GFCCVEGCSA-N 2 2 328.441 2.461 10 0 EEAELP CN(CC[NH2+]Cc1ccccc1Cl)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267394674 1178965560 /nfs/dbraw/zinc/96/55/60/1178965560.db2.gz GXLRZXOOVIOBPP-OAHLLOKOSA-N 2 2 346.862 2.347 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1cccc(OC)c1 ZINC001481008048 1179476623 /nfs/dbraw/zinc/47/66/23/1179476623.db2.gz GJCOBNSDPDNJOK-AWEZNQCLSA-N 2 2 330.432 2.160 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)c1cccc(OC)c1 ZINC001481008048 1179476631 /nfs/dbraw/zinc/47/66/31/1179476631.db2.gz GJCOBNSDPDNJOK-AWEZNQCLSA-N 2 2 330.432 2.160 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481098813 1179736664 /nfs/dbraw/zinc/73/66/64/1179736664.db2.gz HWMWOUJIUMNFOY-DSLCMKTCSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481098813 1179736668 /nfs/dbraw/zinc/73/66/68/1179736668.db2.gz HWMWOUJIUMNFOY-DSLCMKTCSA-N 2 2 330.476 2.240 10 0 EEAELP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001267614879 1179838102 /nfs/dbraw/zinc/83/81/02/1179838102.db2.gz DRWVFDPTAHILAL-HUUCEWRRSA-N 2 2 338.883 2.156 10 0 EEAELP 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347.488 2.136 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1)c1c[nH+]c[nH]1 ZINC001272617184 1190932669 /nfs/dbraw/zinc/93/26/69/1190932669.db2.gz UGVKJKIWWOBHBJ-GFCCVEGCSA-N 2 2 346.397 2.468 10 0 EEAELP COCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001483848524 1191084459 /nfs/dbraw/zinc/08/44/59/1191084459.db2.gz VMKYTOOLURKZSC-IBGZPJMESA-N 2 2 348.491 2.002 10 0 EEAELP COCCCCC[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001483848524 1191084461 /nfs/dbraw/zinc/08/44/61/1191084461.db2.gz VMKYTOOLURKZSC-IBGZPJMESA-N 2 2 348.491 2.002 10 0 EEAELP Cc1cccc(C)c1OCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001483892447 1191111477 /nfs/dbraw/zinc/11/14/77/1191111477.db2.gz LXWLYNOSVNQGHE-UHFFFAOYSA-N 2 2 347.503 2.165 10 0 EEAELP Cc1cccc(C)c1OCC[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001483892447 1191111478 /nfs/dbraw/zinc/11/14/78/1191111478.db2.gz LXWLYNOSVNQGHE-UHFFFAOYSA-N 2 2 347.503 2.165 10 0 EEAELP 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ZINC001485434212 1191783578 /nfs/dbraw/zinc/78/35/78/1191783578.db2.gz KHWOOHMHMQKOJT-NVXWUHKLSA-N 2 2 338.471 2.268 10 0 EEAELP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001486478529 1193992723 /nfs/dbraw/zinc/99/27/23/1193992723.db2.gz HUWALWBPFMPZEI-SREVYHEPSA-N 2 2 337.508 2.033 10 0 EEAELP CCc1ccc(C[N@H+]2CC=C(CNC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001486517071 1194022941 /nfs/dbraw/zinc/02/29/41/1194022941.db2.gz SVLXHQMTLKECGT-UHFFFAOYSA-N 2 2 338.455 2.463 10 0 EEAELP CCc1ccc(C[N@@H+]2CC=C(CNC(=O)Cc3c[nH]c[nH+]3)CC2)cc1 ZINC001486517071 1194022945 /nfs/dbraw/zinc/02/29/45/1194022945.db2.gz SVLXHQMTLKECGT-UHFFFAOYSA-N 2 2 338.455 2.463 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC001486521820 1194044503 /nfs/dbraw/zinc/04/45/03/1194044503.db2.gz NNWYRZYSIDYHIG-QPJJXVBHSA-N 2 2 336.439 2.345 10 0 EEAELP O=C(NCC1([NH2+]Cc2cncs2)CCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001273106211 1194389613 /nfs/dbraw/zinc/38/96/13/1194389613.db2.gz MMDPPLCJZBJUDQ-UHFFFAOYSA-N 2 2 341.440 2.462 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(C1)C[N@H+](CCCC(C)C)CCO2 ZINC001410101807 1197550583 /nfs/dbraw/zinc/55/05/83/1197550583.db2.gz JRDUIZCMQXCNPJ-LJQANCHMSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@]2(C1)C[N@@H+](CCCC(C)C)CCO2 ZINC001410101807 1197550586 /nfs/dbraw/zinc/55/05/86/1197550586.db2.gz JRDUIZCMQXCNPJ-LJQANCHMSA-N 2 2 348.491 2.000 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@H]2C1 ZINC001410199217 1197599712 /nfs/dbraw/zinc/59/97/12/1197599712.db2.gz QAOAORZPDZSDTM-KZNAEPCWSA-N 2 2 330.476 2.290 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@H]2C1 ZINC001410199217 1197599714 /nfs/dbraw/zinc/59/97/14/1197599714.db2.gz QAOAORZPDZSDTM-KZNAEPCWSA-N 2 2 330.476 2.290 10 0 EEAELP Cc1cccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001410225839 1197617094 /nfs/dbraw/zinc/61/70/94/1197617094.db2.gz MKGOZKUKQSIHLG-ULQDDVLXSA-N 2 2 341.459 2.222 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]C/C(Cl)=C/Cl ZINC001410369723 1197761393 /nfs/dbraw/zinc/76/13/93/1197761393.db2.gz BLSDPVQLNIVNLY-HMRUYPERSA-N 2 2 345.274 2.201 10 0 EEAELP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ncc(C(C)(C)C)o1)[NH+](C)C ZINC001410398959 1197801770 /nfs/dbraw/zinc/80/17/70/1197801770.db2.gz SVLFBKZCWSKXGR-UONOGXRCSA-N 2 2 338.496 2.249 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NC3CCC(C)([NH+](C)C)CC3)[nH+]cn2)C1 ZINC000866147062 1201446511 /nfs/dbraw/zinc/44/65/11/1201446511.db2.gz IIFIHOWVVNOCQM-SCXZOKCQSA-N 2 2 347.507 2.359 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NC3CCC(C)([NH+](C)C)CC3)nc[nH+]2)C1 ZINC000866147062 1201446512 /nfs/dbraw/zinc/44/65/12/1201446512.db2.gz IIFIHOWVVNOCQM-SCXZOKCQSA-N 2 2 347.507 2.359 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ncc(C)o1 ZINC001274607961 1205095246 /nfs/dbraw/zinc/09/52/46/1205095246.db2.gz BSWQXNYLNCEKHQ-BUWFCSEKSA-N 2 2 334.464 2.180 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001275203557 1205280160 /nfs/dbraw/zinc/28/01/60/1205280160.db2.gz TWDWHIZQOSLBPJ-NSHDSACASA-N 2 2 341.415 2.330 10 0 EEAELP C[C@@H]([NH2+]Cc1cncc(F)c1)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275433629 1205359380 /nfs/dbraw/zinc/35/93/80/1205359380.db2.gz OACOLWBYDNZGQK-NEPJUHHUSA-N 2 2 341.390 2.394 10 0 EEAELP CN(CCC[NH2+]Cc1ccncc1Cl)C(=O)CCc1c[nH+]c[nH]1 ZINC001276040312 1205744602 /nfs/dbraw/zinc/74/46/02/1205744602.db2.gz AZAHXMIBHZMETB-UHFFFAOYSA-N 2 2 335.839 2.029 10 0 EEAELP CN(CCC[NH2+]C[C@H]1CCCOC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001276076667 1205762789 /nfs/dbraw/zinc/76/27/89/1205762789.db2.gz RFOPYVJKQPXGGV-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@H]3CCC[N@@H+](C(C)C)C3)[nH+]c12 ZINC001412617392 1205796495 /nfs/dbraw/zinc/79/64/95/1205796495.db2.gz JBLURIFUPPJOJU-INIZCTEOSA-N 2 2 328.460 2.422 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@H]3CCC[N@H+](C(C)C)C3)[nH+]c12 ZINC001412617392 1205796496 /nfs/dbraw/zinc/79/64/96/1205796496.db2.gz JBLURIFUPPJOJU-INIZCTEOSA-N 2 2 328.460 2.422 10 0 EEAELP O[C@H](CC[C@H](O)c1ccccc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929991904 1206526565 /nfs/dbraw/zinc/52/65/65/1206526565.db2.gz KXIPCWSNZKIWBP-KSZLIROESA-N 2 2 329.444 2.464 10 0 EEAELP O[C@H](CC[C@H](O)c1ccccc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929991904 1206526566 /nfs/dbraw/zinc/52/65/66/1206526566.db2.gz KXIPCWSNZKIWBP-KSZLIROESA-N 2 2 329.444 2.464 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000930067884 1206532609 /nfs/dbraw/zinc/53/26/09/1206532609.db2.gz PFCPRBGGQCCUGP-QWHCGFSZSA-N 2 2 332.370 2.042 10 0 EEAELP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000931351922 1206625736 /nfs/dbraw/zinc/62/57/36/1206625736.db2.gz YIENRVGJRLOAOB-OAHLLOKOSA-N 2 2 331.460 2.324 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001276353781 1213898666 /nfs/dbraw/zinc/89/86/66/1213898666.db2.gz UEQNFSIBBHSSHP-CYBMUJFWSA-N 2 2 328.407 2.134 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000796384361 1213950427 /nfs/dbraw/zinc/95/04/27/1213950427.db2.gz VKEPXETVMFQFDJ-NZSAHSFTSA-N 2 2 327.472 2.075 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000796384361 1213950433 /nfs/dbraw/zinc/95/04/33/1213950433.db2.gz VKEPXETVMFQFDJ-NZSAHSFTSA-N 2 2 327.472 2.075 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000796573608 1221420768 /nfs/dbraw/zinc/42/07/68/1221420768.db2.gz AFOGPYXBFFIUBR-KRWDZBQOSA-N 2 2 331.391 2.085 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)C[C@@]3(O)CCC[N@@H+](C)C3)c2)[nH+]c1C ZINC000900346281 1234246478 /nfs/dbraw/zinc/24/64/78/1234246478.db2.gz HMUVHAIIDYJKSI-IBGZPJMESA-N 2 2 342.443 2.479 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)C[C@@]3(O)CCC[N@H+](C)C3)c2)[nH+]c1C ZINC000900346281 1234246482 /nfs/dbraw/zinc/24/64/82/1234246482.db2.gz HMUVHAIIDYJKSI-IBGZPJMESA-N 2 2 342.443 2.479 10 0 EEAELP CC[N@H+](CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CC1 ZINC000900553297 1234477068 /nfs/dbraw/zinc/47/70/68/1234477068.db2.gz OYFXBXMBEGTBAF-UHFFFAOYSA-N 2 2 341.459 2.209 10 0 EEAELP CC[N@@H+](CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CC1 ZINC000900553297 1234477070 /nfs/dbraw/zinc/47/70/70/1234477070.db2.gz OYFXBXMBEGTBAF-UHFFFAOYSA-N 2 2 341.459 2.209 10 0 EEAELP C/C(=C\C(=O)NC1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000900978054 1235071990 /nfs/dbraw/zinc/07/19/90/1235071990.db2.gz BAXVKIRVPBPIRG-BMRADRMJSA-N 2 2 349.519 2.178 10 0 EEAELP CCCn1cc([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)nn1 ZINC000902921047 1239096703 /nfs/dbraw/zinc/09/67/03/1239096703.db2.gz OYOJFXHEUQDWHP-GDBMZVCRSA-N 2 2 343.479 2.397 10 0 EEAELP c1cc2c(cc1C1([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC1)OCCO2 ZINC000903295534 1240196207 /nfs/dbraw/zinc/19/62/07/1240196207.db2.gz UOHULOBHSVIPQZ-KRWDZBQOSA-N 2 2 344.455 2.290 10 0 EEAELP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC000903879462 1242294728 /nfs/dbraw/zinc/29/47/28/1242294728.db2.gz BLTZQVBYPOUFTA-AEFFLSMTSA-N 2 2 343.500 2.493 10 0 EEAELP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000903879462 1242294735 /nfs/dbraw/zinc/29/47/35/1242294735.db2.gz BLTZQVBYPOUFTA-AEFFLSMTSA-N 2 2 343.500 2.493 10 0 EEAELP Fc1ccc(Cn2cc(C[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)cn2)cc1 ZINC000903956663 1242714153 /nfs/dbraw/zinc/71/41/53/1242714153.db2.gz MRXYFSPESHQSJM-HNNXBMFYSA-N 2 2 338.377 2.405 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001491253105 1258848243 /nfs/dbraw/zinc/84/82/43/1258848243.db2.gz JOYWXVQMSFPTKR-AEFFLSMTSA-N 2 2 332.492 2.462 10 0 EEAELP CCN(CC[NH2+]Cc1cnc(C)s1)C(=O)c1cccc2[nH+]ccn21 ZINC001273506957 1278727597 /nfs/dbraw/zinc/72/75/97/1278727597.db2.gz SIMZHDJFSJYVDZ-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP COCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001273849334 1286763151 /nfs/dbraw/zinc/76/31/51/1286763151.db2.gz RRXQTWBUBARSLX-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP COCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001273849334 1286763167 /nfs/dbraw/zinc/76/31/67/1286763167.db2.gz RRXQTWBUBARSLX-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP CCO[C@H](C[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1)C[NH+](C)C ZINC000926967119 1296974066 /nfs/dbraw/zinc/97/40/66/1296974066.db2.gz ZZMLURNYJGZCDJ-CRAIPNDOSA-N 2 2 333.476 2.431 10 0 EEAELP Cc1ccc(C[N@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C2CC2)cc1 ZINC001490386048 1291272762 /nfs/dbraw/zinc/27/27/62/1291272762.db2.gz ISQPUNHZUCXYAZ-UHFFFAOYSA-N 2 2 326.444 2.432 10 0 EEAELP Cc1ccc(C[N@@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C2CC2)cc1 ZINC001490386048 1291272770 /nfs/dbraw/zinc/27/27/70/1291272770.db2.gz ISQPUNHZUCXYAZ-UHFFFAOYSA-N 2 2 326.444 2.432 10 0 EEAELP CCCCCC[C@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)C(=O)OC ZINC000851803320 1291845391 /nfs/dbraw/zinc/84/53/91/1291845391.db2.gz QGIYQJUFSBWEDT-SFHVURJKSA-N 2 2 337.464 2.395 10 0 EEAELP Cc1cc2nc(Cl)cc(N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000853321847 1292353395 /nfs/dbraw/zinc/35/33/95/1292353395.db2.gz SDHQOFGJHHHFKN-ZDUSSCGKSA-N 2 2 348.882 2.272 10 0 EEAELP Cc1cc2nc(Cl)cc(N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)n2n1 ZINC000853321847 1292353406 /nfs/dbraw/zinc/35/34/06/1292353406.db2.gz SDHQOFGJHHHFKN-ZDUSSCGKSA-N 2 2 348.882 2.272 10 0 EEAELP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[NH+]1CC(C)(C)C1 ZINC000854515323 1292828281 /nfs/dbraw/zinc/82/82/81/1292828281.db2.gz UHYLJFMBNBWSGG-SJLPKXTDSA-N 2 2 327.472 2.471 10 0 EEAELP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C[NH+]1CC(C)(C)C1 ZINC000854515323 1292828303 /nfs/dbraw/zinc/82/83/03/1292828303.db2.gz UHYLJFMBNBWSGG-SJLPKXTDSA-N 2 2 327.472 2.471 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1coc2cc(F)ccc12 ZINC000855414545 1293208783 /nfs/dbraw/zinc/20/87/83/1293208783.db2.gz GVXCTZBDPPQTLL-UHFFFAOYSA-N 2 2 335.423 2.114 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1coc2cc(F)ccc12 ZINC000855414545 1293208788 /nfs/dbraw/zinc/20/87/88/1293208788.db2.gz GVXCTZBDPPQTLL-UHFFFAOYSA-N 2 2 335.423 2.114 10 0 EEAELP CCc1nnc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)o1 ZINC000856592931 1293576132 /nfs/dbraw/zinc/57/61/32/1293576132.db2.gz OFJOPSRNLHOMTR-MRXNPFEDSA-N 2 2 345.447 2.132 10 0 EEAELP CCc1nnc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)o1 ZINC000856592931 1293576138 /nfs/dbraw/zinc/57/61/38/1293576138.db2.gz OFJOPSRNLHOMTR-MRXNPFEDSA-N 2 2 345.447 2.132 10 0 EEAELP CCc1nnc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)o1 ZINC000856592931 1293576144 /nfs/dbraw/zinc/57/61/44/1293576144.db2.gz OFJOPSRNLHOMTR-MRXNPFEDSA-N 2 2 345.447 2.132 10 0 EEAELP CCc1nnc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)o1 ZINC000856592931 1293576149 /nfs/dbraw/zinc/57/61/49/1293576149.db2.gz OFJOPSRNLHOMTR-MRXNPFEDSA-N 2 2 345.447 2.132 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+]([C@@H]3CCN(c4ccc(F)cc4)C3=O)C[C@@]2(C)C1 ZINC000931315903 1297134165 /nfs/dbraw/zinc/13/41/65/1297134165.db2.gz DADCRIAULTUNSS-BHIYHBOVSA-N 2 2 331.435 2.205 10 0 EEAELP COCCCC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001491162235 1299641882 /nfs/dbraw/zinc/64/18/82/1299641882.db2.gz PUANXBHNSSJEIK-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP COCCCC[NH2+]C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001491162236 1299642051 /nfs/dbraw/zinc/64/20/51/1299642051.db2.gz PUANXBHNSSJEIK-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001276890791 1300129286 /nfs/dbraw/zinc/12/92/86/1300129286.db2.gz FPFCYKPQULCVEX-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001276890791 1300129289 /nfs/dbraw/zinc/12/92/89/1300129289.db2.gz FPFCYKPQULCVEX-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccon1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001277218377 1301877321 /nfs/dbraw/zinc/87/73/21/1301877321.db2.gz QDCOEKBVOWKHDG-LBPRGKRZSA-N 2 2 327.388 2.239 10 0 EEAELP COCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001263805643 1322518726 /nfs/dbraw/zinc/51/87/26/1322518726.db2.gz SLILKGDKVXBAFI-SFHVURJKSA-N 2 2 342.443 2.055 10 0 EEAELP COCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001263805643 1322518728 /nfs/dbraw/zinc/51/87/28/1322518728.db2.gz SLILKGDKVXBAFI-SFHVURJKSA-N 2 2 342.443 2.055 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1cccc(F)c1 ZINC001265003948 1322850294 /nfs/dbraw/zinc/85/02/94/1322850294.db2.gz FGUXICKDXIETGF-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1cccc(F)c1 ZINC001265003948 1322850299 /nfs/dbraw/zinc/85/02/99/1322850299.db2.gz FGUXICKDXIETGF-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc2cscn2)C1 ZINC001265058552 1322898125 /nfs/dbraw/zinc/89/81/25/1322898125.db2.gz YHMXMTHMAOEXIF-ZBFHGGJFSA-N 2 2 338.521 2.202 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@H+](C)Cc2cscn2)C1 ZINC001265058552 1322898130 /nfs/dbraw/zinc/89/81/30/1322898130.db2.gz YHMXMTHMAOEXIF-ZBFHGGJFSA-N 2 2 338.521 2.202 10 0 EEAELP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001265615185 1323268374 /nfs/dbraw/zinc/26/83/74/1323268374.db2.gz BSWCEULHKJDWTR-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001265625947 1323276297 /nfs/dbraw/zinc/27/62/97/1323276297.db2.gz KYJXZTIPMXYIFV-STQMWFEESA-N 2 2 346.397 2.369 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001265625947 1323276301 /nfs/dbraw/zinc/27/63/01/1323276301.db2.gz KYJXZTIPMXYIFV-STQMWFEESA-N 2 2 346.397 2.369 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001265697349 1323330866 /nfs/dbraw/zinc/33/08/66/1323330866.db2.gz RMWQTQHRTSBZMK-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001265697349 1323330871 /nfs/dbraw/zinc/33/08/71/1323330871.db2.gz RMWQTQHRTSBZMK-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](Cc1cncc(C)c1)C1CC1 ZINC001266172011 1323739889 /nfs/dbraw/zinc/73/98/89/1323739889.db2.gz 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ZINC000712986776 794533891 /nfs/dbraw/zinc/53/38/91/794533891.db2.gz ANVFOEXYFHAWAF-ROUUACIJSA-N 2 2 347.503 2.013 10 0 EEAELP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000712986776 794533898 /nfs/dbraw/zinc/53/38/98/794533898.db2.gz ANVFOEXYFHAWAF-ROUUACIJSA-N 2 2 347.503 2.013 10 0 EEAELP CSCc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000921747026 795726434 /nfs/dbraw/zinc/72/64/34/795726434.db2.gz KXUMYPCOCRALNQ-IBGZPJMESA-N 2 2 349.544 2.046 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)OCc3ccc(N)[nH+]c3)cc2)CC1 ZINC000922483301 801164541 /nfs/dbraw/zinc/16/45/41/801164541.db2.gz UFCZKAIJXITXSZ-UHFFFAOYSA-N 2 2 340.427 2.163 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(F)cc1Cl ZINC001566521699 1125694317 /nfs/dbraw/zinc/69/43/17/1125694317.db2.gz YNNFXAABIFQXEX-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(F)cc1Cl ZINC001566521699 1125694321 /nfs/dbraw/zinc/69/43/21/1125694321.db2.gz YNNFXAABIFQXEX-UHFFFAOYSA-N 2 2 338.814 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C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001437061721 1088972900 /nfs/dbraw/zinc/97/29/00/1088972900.db2.gz YECDZQGDNUVMQW-IEBWSBKVSA-N 2 2 340.471 2.343 10 0 EEAELP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001437394213 1089647686 /nfs/dbraw/zinc/64/76/86/1089647686.db2.gz CUGSDHBEVKZJRB-CABCVRRESA-N 2 2 344.459 2.247 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+](C)Cc1cncs1 ZINC001437463087 1089782909 /nfs/dbraw/zinc/78/29/09/1089782909.db2.gz NQNQQGXLVXHKGM-CYBMUJFWSA-N 2 2 335.477 2.101 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](C)Cc1cncs1 ZINC001437463087 1089782923 /nfs/dbraw/zinc/78/29/23/1089782923.db2.gz NQNQQGXLVXHKGM-CYBMUJFWSA-N 2 2 335.477 2.101 10 0 EEAELP CC1CCC(C[N@H+](C)CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001437489917 1089858020 /nfs/dbraw/zinc/85/80/20/1089858020.db2.gz QTWOJLFEHIUNNQ-JCYILVPMSA-N 2 2 332.492 2.320 10 0 EEAELP CC1CCC(C[N@@H+](C)CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001437489917 1089858033 /nfs/dbraw/zinc/85/80/33/1089858033.db2.gz QTWOJLFEHIUNNQ-JCYILVPMSA-N 2 2 332.492 2.320 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001437913177 1090496163 /nfs/dbraw/zinc/49/61/63/1090496163.db2.gz SEHXRBNGFHBRDI-MRXNPFEDSA-N 2 2 338.521 2.216 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001437913177 1090496165 /nfs/dbraw/zinc/49/61/65/1090496165.db2.gz SEHXRBNGFHBRDI-MRXNPFEDSA-N 2 2 338.521 2.216 10 0 EEAELP CO[C@H](C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001438054491 1090622168 /nfs/dbraw/zinc/62/21/68/1090622168.db2.gz UNYIUJJWIBWZQE-RTBURBONSA-N 2 2 345.487 2.049 10 0 EEAELP CO[C@H](C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001438054491 1090622171 /nfs/dbraw/zinc/62/21/71/1090622171.db2.gz UNYIUJJWIBWZQE-RTBURBONSA-N 2 2 345.487 2.049 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1)[NH+](CC)CC ZINC001438239458 1090719171 /nfs/dbraw/zinc/71/91/71/1090719171.db2.gz PKDPIBUDIFBXKT-ROUUACIJSA-N 2 2 349.523 2.056 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1)[NH+](CC)CC ZINC001438239458 1090719176 /nfs/dbraw/zinc/71/91/76/1090719176.db2.gz PKDPIBUDIFBXKT-ROUUACIJSA-N 2 2 349.523 2.056 10 0 EEAELP Cc1cncc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001438699348 1091205557 /nfs/dbraw/zinc/20/55/57/1091205557.db2.gz YUMIKMZQDISGMH-JKSUJKDBSA-N 2 2 329.448 2.174 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)CCc1c[nH+]cn1C ZINC001445486710 1091265596 /nfs/dbraw/zinc/26/55/96/1091265596.db2.gz ZRSVEHZDSHNXNW-RDTXWAMCSA-N 2 2 326.444 2.135 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445567017 1091343258 /nfs/dbraw/zinc/34/32/58/1091343258.db2.gz CSMXBTPXXQJGSF-QWHCGFSZSA-N 2 2 348.397 2.018 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)o1 ZINC001445606444 1091400564 /nfs/dbraw/zinc/40/05/64/1091400564.db2.gz LIZMTDRVUVKADT-ZDUSSCGKSA-N 2 2 347.463 2.160 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)Cc1cc(F)ccc1F ZINC001438899530 1091555663 /nfs/dbraw/zinc/55/56/63/1091555663.db2.gz NSMBVFSIMYWOHO-UHFFFAOYSA-N 2 2 336.386 2.060 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)Cc1cc(F)ccc1F ZINC001438899530 1091555667 /nfs/dbraw/zinc/55/56/67/1091555667.db2.gz NSMBVFSIMYWOHO-UHFFFAOYSA-N 2 2 336.386 2.060 10 0 EEAELP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001445772017 1091633967 /nfs/dbraw/zinc/63/39/67/1091633967.db2.gz WUOJSMDXFVETLW-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001445772017 1091633973 /nfs/dbraw/zinc/63/39/73/1091633973.db2.gz WUOJSMDXFVETLW-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP CCN(CC[NH2+][C@@H]1CCc2c1c(F)ccc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001439075763 1091722429 /nfs/dbraw/zinc/72/24/29/1091722429.db2.gz CIBFIHXYQFSMHB-MRXNPFEDSA-N 2 2 348.397 2.356 10 0 EEAELP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001439338804 1092036181 /nfs/dbraw/zinc/03/61/81/1092036181.db2.gz LVIMSLIWDJOROJ-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001439338804 1092036191 /nfs/dbraw/zinc/03/61/91/1092036191.db2.gz LVIMSLIWDJOROJ-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(F)c(C[N@@H+](C)C[C@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001439398799 1092152414 /nfs/dbraw/zinc/15/24/14/1092152414.db2.gz JQUAFYWXLLTVLI-HNNXBMFYSA-N 2 2 346.450 2.437 10 0 EEAELP Cc1ccc(F)c(C[N@H+](C)C[C@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001439398799 1092152416 /nfs/dbraw/zinc/15/24/16/1092152416.db2.gz JQUAFYWXLLTVLI-HNNXBMFYSA-N 2 2 346.450 2.437 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001439479828 1092283816 /nfs/dbraw/zinc/28/38/16/1092283816.db2.gz AIBVUEPYFIDEFN-NVXWUHKLSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@](C)(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001439850716 1092866751 /nfs/dbraw/zinc/86/67/51/1092866751.db2.gz MKRPPNCUKYLMMS-WMLDXEAASA-N 2 2 347.488 2.380 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001439850716 1092866760 /nfs/dbraw/zinc/86/67/60/1092866760.db2.gz MKRPPNCUKYLMMS-WMLDXEAASA-N 2 2 347.488 2.380 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)o1 ZINC001448393210 1093389995 /nfs/dbraw/zinc/38/99/95/1093389995.db2.gz UHHMEWKXSTWAHQ-LSDHHAIUSA-N 2 2 336.480 2.212 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)o1 ZINC001448393210 1093390008 /nfs/dbraw/zinc/39/00/08/1093390008.db2.gz UHHMEWKXSTWAHQ-LSDHHAIUSA-N 2 2 336.480 2.212 10 0 EEAELP CCO[C@@H](C[N@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001448535630 1093571852 /nfs/dbraw/zinc/57/18/52/1093571852.db2.gz JYETXGCMOMJSLM-SFHVURJKSA-N 2 2 348.491 2.080 10 0 EEAELP CCO[C@@H](C[N@@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001448535630 1093571856 /nfs/dbraw/zinc/57/18/56/1093571856.db2.gz JYETXGCMOMJSLM-SFHVURJKSA-N 2 2 348.491 2.080 10 0 EEAELP CCO[C@@H](C[N@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001448535630 1093571861 /nfs/dbraw/zinc/57/18/61/1093571861.db2.gz JYETXGCMOMJSLM-SFHVURJKSA-N 2 2 348.491 2.080 10 0 EEAELP CCO[C@@H](C[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001448535630 1093571866 /nfs/dbraw/zinc/57/18/66/1093571866.db2.gz JYETXGCMOMJSLM-SFHVURJKSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001448604247 1093669451 /nfs/dbraw/zinc/66/94/51/1093669451.db2.gz MIPLRGKXPCWXSH-KDOFPFPSSA-N 2 2 341.459 2.010 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001448668686 1093736823 /nfs/dbraw/zinc/73/68/23/1093736823.db2.gz CVYQYIKWTHHRAX-APHBMKBZSA-N 2 2 330.407 2.289 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001448668686 1093736826 /nfs/dbraw/zinc/73/68/26/1093736826.db2.gz CVYQYIKWTHHRAX-APHBMKBZSA-N 2 2 330.407 2.289 10 0 EEAELP C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)[C@H](C)[NH2+]CC1CCCC1 ZINC001440815950 1094069394 /nfs/dbraw/zinc/06/93/94/1094069394.db2.gz WYTZGXDLVLEMMQ-LSDHHAIUSA-N 2 2 332.492 2.435 10 0 EEAELP C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2cncs2)C1)n1cc[nH+]c1 ZINC001449385342 1094359354 /nfs/dbraw/zinc/35/93/54/1094359354.db2.gz JVOVZQUCELUKPB-HSBZDZAISA-N 2 2 333.461 2.070 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)s1 ZINC001441229230 1094606435 /nfs/dbraw/zinc/60/64/35/1094606435.db2.gz APTCCPJILZPYEM-MLGOLLRUSA-N 2 2 347.488 2.284 10 0 EEAELP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001441285978 1094711746 /nfs/dbraw/zinc/71/17/46/1094711746.db2.gz CUWLIYQQJUNPNN-ZJPYXAASSA-N 2 2 338.455 2.398 10 0 EEAELP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001441285978 1094711752 /nfs/dbraw/zinc/71/17/52/1094711752.db2.gz CUWLIYQQJUNPNN-ZJPYXAASSA-N 2 2 338.455 2.398 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001441298844 1094742441 /nfs/dbraw/zinc/74/24/41/1094742441.db2.gz ACFJQZAJSPURSV-LDLYASANSA-N 2 2 344.503 2.227 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001441298844 1094742454 /nfs/dbraw/zinc/74/24/54/1094742454.db2.gz ACFJQZAJSPURSV-LDLYASANSA-N 2 2 344.503 2.227 10 0 EEAELP Cc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1 ZINC001441375328 1094910722 /nfs/dbraw/zinc/91/07/22/1094910722.db2.gz YTJVIAPDKORMST-JFIYKMOQSA-N 2 2 341.459 2.222 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001441395666 1094960840 /nfs/dbraw/zinc/96/08/40/1094960840.db2.gz XURFIGBJSQGOOX-WKILWMFISA-N 2 2 330.476 2.170 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCC(F)(F)F)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001441482851 1095155920 /nfs/dbraw/zinc/15/59/20/1095155920.db2.gz JMXHCGRHJRLUFQ-PHIMTYICSA-N 2 2 326.322 2.366 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001441576148 1095365441 /nfs/dbraw/zinc/36/54/41/1095365441.db2.gz BTEBILODJIHSML-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001441576148 1095365455 /nfs/dbraw/zinc/36/54/55/1095365455.db2.gz BTEBILODJIHSML-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CC/C=C/c3ccccc3)C[C@H]21 ZINC001441729817 1095709901 /nfs/dbraw/zinc/70/99/01/1095709901.db2.gz WFPHPDXGERTFAR-QVXLAEONSA-N 2 2 336.439 2.033 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CC/C=C/c3ccccc3)C[C@H]21 ZINC001441729817 1095709912 /nfs/dbraw/zinc/70/99/12/1095709912.db2.gz WFPHPDXGERTFAR-QVXLAEONSA-N 2 2 336.439 2.033 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]Cc1ccccc1 ZINC001441867354 1095976803 /nfs/dbraw/zinc/97/68/03/1095976803.db2.gz POKBDGXIZUOOCE-KDOFPFPSSA-N 2 2 341.459 2.085 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+]Cc1ccccc1 ZINC001441867354 1095976808 /nfs/dbraw/zinc/97/68/08/1095976808.db2.gz POKBDGXIZUOOCE-KDOFPFPSSA-N 2 2 341.459 2.085 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccc(F)cc1F ZINC001441881222 1096007317 /nfs/dbraw/zinc/00/73/17/1096007317.db2.gz UGFXOBYMZWPWCZ-GXTWGEPZSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC001441882836 1096011670 /nfs/dbraw/zinc/01/16/70/1096011670.db2.gz VXEPJOVMKWWJLI-SJLPKXTDSA-N 2 2 340.471 2.357 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)[C@@H]1CCc2c1c(F)ccc2F ZINC001442462515 1096789547 /nfs/dbraw/zinc/78/95/47/1096789547.db2.gz FYXLTLOFGLRGAU-MRXNPFEDSA-N 2 2 348.397 2.205 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)[C@@H]1CCc2c1c(F)ccc2F ZINC001442462515 1096789554 /nfs/dbraw/zinc/78/95/54/1096789554.db2.gz FYXLTLOFGLRGAU-MRXNPFEDSA-N 2 2 348.397 2.205 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1cc(C2CC2)no1 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C[C@H](C[N@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)Cn1cc[nH+]c1 ZINC001498466368 1107586573 /nfs/dbraw/zinc/58/65/73/1107586573.db2.gz TYGDAJXOQMXSGJ-CXAGYDPISA-N 2 2 330.407 2.146 10 0 EEAELP C[C@H](C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)Cn1cc[nH+]c1 ZINC001498466368 1107586583 /nfs/dbraw/zinc/58/65/83/1107586583.db2.gz TYGDAJXOQMXSGJ-CXAGYDPISA-N 2 2 330.407 2.146 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1ccccc1F ZINC001498624571 1107832863 /nfs/dbraw/zinc/83/28/63/1107832863.db2.gz DMMQANXISMHEFV-AWEZNQCLSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1ccccc1F ZINC001498624571 1107832878 /nfs/dbraw/zinc/83/28/78/1107832878.db2.gz DMMQANXISMHEFV-AWEZNQCLSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCc2ccccc2Cl)C1 ZINC001499066632 1108532641 /nfs/dbraw/zinc/53/26/41/1108532641.db2.gz MHTDMKBJQPZHBT-DOTOQJQBSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2CCc2ccccc2Cl)C1 ZINC001499066632 1108532654 /nfs/dbraw/zinc/53/26/54/1108532654.db2.gz MHTDMKBJQPZHBT-DOTOQJQBSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2CCc2ccccc2Cl)C1 ZINC001499066632 1108532664 /nfs/dbraw/zinc/53/26/64/1108532664.db2.gz MHTDMKBJQPZHBT-DOTOQJQBSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2CCc2ccccc2Cl)C1 ZINC001499066632 1108532672 /nfs/dbraw/zinc/53/26/72/1108532672.db2.gz MHTDMKBJQPZHBT-DOTOQJQBSA-N 2 2 349.906 2.415 10 0 EEAELP Cc1ncccc1C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001493869634 1108762786 /nfs/dbraw/zinc/76/27/86/1108762786.db2.gz GZFVNFPCMUDRFP-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP Cc1ncccc1C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001493869634 1108762791 /nfs/dbraw/zinc/76/27/91/1108762791.db2.gz GZFVNFPCMUDRFP-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP C(C[NH+]1CCC([NH2+]C2CCOCC2)CC1)OC1CCSCC1 ZINC001460775538 1110323458 /nfs/dbraw/zinc/32/34/58/1110323458.db2.gz DYGMYBYTGPHGHN-UHFFFAOYSA-N 2 2 328.522 2.132 10 0 EEAELP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001471521029 1110524347 /nfs/dbraw/zinc/52/43/47/1110524347.db2.gz XMHUDTNGXONOOQ-QZTJIDSGSA-N 2 2 333.451 2.391 10 0 EEAELP CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001471521029 1110524350 /nfs/dbraw/zinc/52/43/50/1110524350.db2.gz XMHUDTNGXONOOQ-QZTJIDSGSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001471521029 1110524351 /nfs/dbraw/zinc/52/43/51/1110524351.db2.gz XMHUDTNGXONOOQ-QZTJIDSGSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001471521029 1110524353 /nfs/dbraw/zinc/52/43/53/1110524353.db2.gz XMHUDTNGXONOOQ-QZTJIDSGSA-N 2 2 333.451 2.391 10 0 EEAELP C[C@@H]1Cc2n[nH]cc2C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473796596 1110581239 /nfs/dbraw/zinc/58/12/39/1110581239.db2.gz KDXVALBPJPMDBM-UZLBHIALSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@@H]1Cc2n[nH]cc2C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473796596 1110581240 /nfs/dbraw/zinc/58/12/40/1110581240.db2.gz KDXVALBPJPMDBM-UZLBHIALSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@@H]1Cc2n[nH]cc2C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001473796596 1110581242 /nfs/dbraw/zinc/58/12/42/1110581242.db2.gz KDXVALBPJPMDBM-UZLBHIALSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@@H]1Cc2n[nH]cc2C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001473796596 1110581244 /nfs/dbraw/zinc/58/12/44/1110581244.db2.gz KDXVALBPJPMDBM-UZLBHIALSA-N 2 2 340.471 2.041 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001479270350 1110673006 /nfs/dbraw/zinc/67/30/06/1110673006.db2.gz GFOJMGIFGBORBM-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001479270350 1110673007 /nfs/dbraw/zinc/67/30/07/1110673007.db2.gz GFOJMGIFGBORBM-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP COC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479460774 1110697852 /nfs/dbraw/zinc/69/78/52/1110697852.db2.gz PNMDHCLSDGJNGJ-KCQAQPDRSA-N 2 2 330.432 2.086 10 0 EEAELP O=C(NCC1([NH2+]CC2CCCC2)CC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001499324308 1112233444 /nfs/dbraw/zinc/23/34/44/1112233444.db2.gz GVDRVYLMUQAMTB-GOSISDBHSA-N 2 2 349.519 2.058 10 0 EEAELP O=C(NCC1([NH2+]CC2CCCC2)CC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001499324308 1112233446 /nfs/dbraw/zinc/23/34/46/1112233446.db2.gz GVDRVYLMUQAMTB-GOSISDBHSA-N 2 2 349.519 2.058 10 0 EEAELP C[NH+](C)CCCC(=O)NCC1([NH2+]Cc2cc(C(C)(C)C)on2)CC1 ZINC001499330610 1112237169 /nfs/dbraw/zinc/23/71/69/1112237169.db2.gz TUPMTZCMBQSXDT-UHFFFAOYSA-N 2 2 336.480 2.052 10 0 EEAELP C[C@]1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[N@H+](CC2CCC2)C1 ZINC001500505130 1112897327 /nfs/dbraw/zinc/89/73/27/1112897327.db2.gz JNQIGRCSNSCAHT-YLJYHZDGSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@]1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[N@@H+](CC2CCC2)C1 ZINC001500505130 1112897329 /nfs/dbraw/zinc/89/73/29/1112897329.db2.gz JNQIGRCSNSCAHT-YLJYHZDGSA-N 2 2 344.503 2.464 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001501008786 1113164915 /nfs/dbraw/zinc/16/49/15/1113164915.db2.gz ZOUYUNQFQACSRE-BBWFWOEESA-N 2 2 330.476 2.122 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 ZINC001501008786 1113164916 /nfs/dbraw/zinc/16/49/16/1113164916.db2.gz ZOUYUNQFQACSRE-BBWFWOEESA-N 2 2 330.476 2.122 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001501149765 1113215670 /nfs/dbraw/zinc/21/56/70/1113215670.db2.gz GWKXGGFODYEGRL-LEYAENNJSA-N 2 2 345.274 2.264 10 0 EEAELP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CCCc1ccsc1 ZINC001501156496 1113218857 /nfs/dbraw/zinc/21/88/57/1113218857.db2.gz UYKUNMHXLPERMX-DOTOQJQBSA-N 2 2 346.500 2.262 10 0 EEAELP O=C(/C=C/c1ccco1)NCC[NH+]1CCC([NH2+]C/C=C\Cl)CC1 ZINC001501246825 1113261192 /nfs/dbraw/zinc/26/11/92/1113261192.db2.gz HGRRMJVVBMFHMH-MJXQUCSOSA-N 2 2 337.851 2.216 10 0 EEAELP Cc1ccc(CC[NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001501621666 1113402657 /nfs/dbraw/zinc/40/26/57/1113402657.db2.gz HLVLGKBWWVHKSU-GOSISDBHSA-N 2 2 340.471 2.332 10 0 EEAELP CCOCCC[NH+]1CCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001501747039 1113460879 /nfs/dbraw/zinc/46/08/79/1113460879.db2.gz ZSFDNFDDQFYYHO-UHFFFAOYSA-N 2 2 348.491 2.038 10 0 EEAELP CC[C@H](C(=O)N[C@H]1COC2(C[NH+](CC=C(C)C)C2)C1)[NH+](CC)CC ZINC001502464272 1113694043 /nfs/dbraw/zinc/69/40/43/1113694043.db2.gz HMNWCRYMSWCQSX-IAGOWNOFSA-N 2 2 337.508 2.033 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001505410329 1113944778 /nfs/dbraw/zinc/94/47/78/1113944778.db2.gz FPIKUWOUIMBVRZ-SFHVURJKSA-N 2 2 340.471 2.474 10 0 EEAELP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC001505733689 1114157913 /nfs/dbraw/zinc/15/79/13/1114157913.db2.gz WQZAVSJFIKEDJC-DLBZAZTESA-N 2 2 342.487 2.387 10 0 EEAELP Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001505948992 1114295870 /nfs/dbraw/zinc/29/58/70/1114295870.db2.gz YSVKZPVCSUMNFX-IAGOWNOFSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001505948992 1114295871 /nfs/dbraw/zinc/29/58/71/1114295871.db2.gz YSVKZPVCSUMNFX-IAGOWNOFSA-N 2 2 340.471 2.391 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001506868998 1114938899 /nfs/dbraw/zinc/93/88/99/1114938899.db2.gz PAKVOBCCRCWPCX-WOQGQJNTSA-N 2 2 330.476 2.479 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001506868998 1114938903 /nfs/dbraw/zinc/93/89/03/1114938903.db2.gz PAKVOBCCRCWPCX-WOQGQJNTSA-N 2 2 330.476 2.479 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCCCCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001506888913 1114952232 /nfs/dbraw/zinc/95/22/32/1114952232.db2.gz OJRTXRYIKKJRGA-JYJNAYRXSA-N 2 2 336.455 2.070 10 0 EEAELP CCO[C@@H](C[N@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1)C1CC1 ZINC001506960284 1115008742 /nfs/dbraw/zinc/00/87/42/1115008742.db2.gz MHMNJMNUUOMHIX-SFHVURJKSA-N 2 2 348.491 2.011 10 0 EEAELP CCO[C@@H](C[N@@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1)C1CC1 ZINC001506960284 1115008743 /nfs/dbraw/zinc/00/87/43/1115008743.db2.gz MHMNJMNUUOMHIX-SFHVURJKSA-N 2 2 348.491 2.011 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]CCCCCF)[C@H]2C1 ZINC001507367707 1115226858 /nfs/dbraw/zinc/22/68/58/1115226858.db2.gz ZCKWNLXSUSHCRN-HRCADAONSA-N 2 2 336.455 2.309 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001568146565 1124326245 /nfs/dbraw/zinc/32/62/45/1124326245.db2.gz KQNSNJRXZZIIPX-QGZVFWFLSA-N 2 2 346.862 2.429 10 0 EEAELP C[C@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568299680 1124410714 /nfs/dbraw/zinc/41/07/14/1124410714.db2.gz BWNMXIMCDPZVIH-IJLUTSLNSA-N 2 2 345.274 2.279 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568331395 1124422535 /nfs/dbraw/zinc/42/25/35/1124422535.db2.gz QJCMBMYDPKWTSZ-UJOCRUBTSA-N 2 2 338.883 2.319 10 0 EEAELP COCCC[NH2+][C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001568451230 1124516585 /nfs/dbraw/zinc/51/65/85/1124516585.db2.gz KXOGAMBVKKGXON-MRXNPFEDSA-N 2 2 332.448 2.023 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001569270923 1125209650 /nfs/dbraw/zinc/20/96/50/1125209650.db2.gz MFKIEKZTULRCNV-GOSISDBHSA-N 2 2 326.444 2.399 10 0 EEAELP [NH3+]C[C@H]([NH2+]C1CC1)c1cc(Br)c2c(c1)OCCCO2 ZINC000050271298 214052106 /nfs/dbraw/zinc/05/21/06/214052106.db2.gz NFNVOHYVUQITRE-LBPRGKRZSA-N 2 2 327.222 2.362 10 0 EEAELP C[N@H+](CC(=O)Nc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000036300910 213083358 /nfs/dbraw/zinc/08/33/58/213083358.db2.gz FGIWKARAFORMRN-UHFFFAOYSA-N 2 2 326.238 2.071 10 0 EEAELP C[N@@H+](CC(=O)Nc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000036300910 213083360 /nfs/dbraw/zinc/08/33/60/213083360.db2.gz FGIWKARAFORMRN-UHFFFAOYSA-N 2 2 326.238 2.071 10 0 EEAELP C[C@H]1CN(C(=O)CCOc2ccccc2)C[C@H](C)[NH+]1CCC[NH+](C)C ZINC000036125069 213071858 /nfs/dbraw/zinc/07/18/58/213071858.db2.gz JQGWQRBNLLILFT-ROUUACIJSA-N 2 2 347.503 2.328 10 0 EEAELP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1cccs1 ZINC000072275994 216102213 /nfs/dbraw/zinc/10/22/13/216102213.db2.gz XQUISRYLUQKGJQ-KGLIPLIRSA-N 2 2 347.488 2.214 10 0 EEAELP C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000368516987 296039954 /nfs/dbraw/zinc/03/99/54/296039954.db2.gz WTRDOMXUKAULCQ-SJLPKXTDSA-N 2 2 345.487 2.049 10 0 EEAELP CCOc1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OCC ZINC000422761439 240211697 /nfs/dbraw/zinc/21/16/97/240211697.db2.gz MNUZCMSXQJRLLR-WOJBJXKFSA-N 2 2 348.487 2.383 10 0 EEAELP c1cnc(OC2CCCC2)c(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422962294 240308143 /nfs/dbraw/zinc/30/81/43/240308143.db2.gz FFSBGWAKASCLHB-ROUUACIJSA-N 2 2 331.460 2.260 10 0 EEAELP Brc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cs1 ZINC000422866300 240265249 /nfs/dbraw/zinc/26/52/49/240265249.db2.gz QCSXDIDCINRVEI-AAEUAGOBSA-N 2 2 331.279 2.367 10 0 EEAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422895113 240279224 /nfs/dbraw/zinc/27/92/24/240279224.db2.gz DYWCOAIUJHJCHJ-NHCUHLMSSA-N 3 2 343.515 2.316 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995876 240322387 /nfs/dbraw/zinc/32/23/87/240322387.db2.gz ZRLRZBJEAYNHTL-INWMFGNUSA-N 2 2 330.394 2.444 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCNC(=O)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000423017043 240328802 /nfs/dbraw/zinc/32/88/02/240328802.db2.gz VIWZWEZKWFVPRW-QZTJIDSGSA-N 2 2 333.476 2.240 10 0 EEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000246733929 243303644 /nfs/dbraw/zinc/30/36/44/243303644.db2.gz VWFUPEQGJIGAOM-XWTMOSNGSA-N 2 2 347.507 2.424 10 0 EEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000246733929 243303649 /nfs/dbraw/zinc/30/36/49/243303649.db2.gz VWFUPEQGJIGAOM-XWTMOSNGSA-N 2 2 347.507 2.424 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)c2ccnn2C)cc1 ZINC000459710007 245217971 /nfs/dbraw/zinc/21/79/71/245217971.db2.gz KYXVLFBPOYMZDM-SUMWQHHRSA-N 2 2 325.416 2.298 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000081095362 217361209 /nfs/dbraw/zinc/36/12/09/217361209.db2.gz GKESAKGPSMOWEI-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000081095362 217361212 /nfs/dbraw/zinc/36/12/12/217361212.db2.gz GKESAKGPSMOWEI-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000081095362 217361214 /nfs/dbraw/zinc/36/12/14/217361214.db2.gz GKESAKGPSMOWEI-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000081095362 217361217 /nfs/dbraw/zinc/36/12/17/217361217.db2.gz GKESAKGPSMOWEI-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328649293 258021408 /nfs/dbraw/zinc/02/14/08/258021408.db2.gz UWWKCQSUGBMBGL-LPHOPBHVSA-N 3 2 325.460 2.325 10 0 EEAELP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328649293 258021409 /nfs/dbraw/zinc/02/14/09/258021409.db2.gz UWWKCQSUGBMBGL-LPHOPBHVSA-N 3 2 325.460 2.325 10 0 EEAELP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328649293 258021411 /nfs/dbraw/zinc/02/14/11/258021411.db2.gz UWWKCQSUGBMBGL-LPHOPBHVSA-N 2 2 325.460 2.325 10 0 EEAELP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328649293 258021412 /nfs/dbraw/zinc/02/14/12/258021412.db2.gz UWWKCQSUGBMBGL-LPHOPBHVSA-N 2 2 325.460 2.325 10 0 EEAELP COc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178298966 533602797 /nfs/dbraw/zinc/60/27/97/533602797.db2.gz NFIJROWEWFGKIA-INIZCTEOSA-N 2 2 328.416 2.303 10 0 EEAELP COc1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178298966 533602801 /nfs/dbraw/zinc/60/28/01/533602801.db2.gz NFIJROWEWFGKIA-INIZCTEOSA-N 2 2 328.416 2.303 10 0 EEAELP Cc1cc(NCc2ccc(N3CCC(CO)CC3)[nH+]c2)nc(C)[nH+]1 ZINC000052446928 132184059 /nfs/dbraw/zinc/18/40/59/132184059.db2.gz UNBMIRGUIYZIEM-UHFFFAOYSA-N 2 2 327.432 2.309 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000073898014 292173088 /nfs/dbraw/zinc/17/30/88/292173088.db2.gz DDQVCDLKFIZYMM-INIZCTEOSA-N 2 2 335.496 2.459 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000074534351 292175843 /nfs/dbraw/zinc/17/58/43/292175843.db2.gz OSYVAWQJDWPUDV-UHFFFAOYSA-N 2 2 335.496 2.460 10 0 EEAELP Cc1ccc([C@H](C[NH2+]C2CCN(C(N)=O)CC2)[NH+]2CCCC2)cc1 ZINC000124990601 292254847 /nfs/dbraw/zinc/25/48/47/292254847.db2.gz VYCKZNIWPUWAML-SFHVURJKSA-N 2 2 330.476 2.265 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000357758361 153328279 /nfs/dbraw/zinc/32/82/79/153328279.db2.gz KHNCRLDFGPPACJ-QRQLOZEOSA-N 2 2 343.471 2.378 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1NC(C)=O ZINC000363787237 286369690 /nfs/dbraw/zinc/36/96/90/286369690.db2.gz XBPWBIOEDJODDY-JQFCIGGWSA-N 2 2 347.459 2.167 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1NC(C)=O ZINC000363787237 286369692 /nfs/dbraw/zinc/36/96/92/286369692.db2.gz XBPWBIOEDJODDY-JQFCIGGWSA-N 2 2 347.459 2.167 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCc1cc(F)cc(F)c1 ZINC000374211347 154005600 /nfs/dbraw/zinc/00/56/00/154005600.db2.gz ZVKCLGVBFBYULV-UHFFFAOYSA-N 2 2 334.370 2.184 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000374289204 154033110 /nfs/dbraw/zinc/03/31/10/154033110.db2.gz VUOVGJXSGLFCMM-MRXNPFEDSA-N 2 2 330.476 2.411 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)N1CCCCC1 ZINC000374289204 154033114 /nfs/dbraw/zinc/03/31/14/154033114.db2.gz VUOVGJXSGLFCMM-MRXNPFEDSA-N 2 2 330.476 2.411 10 0 EEAELP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C1CCOCC1 ZINC000249189823 160376534 /nfs/dbraw/zinc/37/65/34/160376534.db2.gz NEOHAQBTSZZXQU-AHRSYUTCSA-N 2 2 347.503 2.323 10 0 EEAELP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C1CCOCC1 ZINC000249189823 160376535 /nfs/dbraw/zinc/37/65/35/160376535.db2.gz NEOHAQBTSZZXQU-AHRSYUTCSA-N 2 2 347.503 2.323 10 0 EEAELP CC[C@H](C)[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000104685797 159289951 /nfs/dbraw/zinc/28/99/51/159289951.db2.gz LMBUAPUVTZAUCF-INIZCTEOSA-N 2 2 347.507 2.287 10 0 EEAELP CC[C@H](C)[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000104685797 159289955 /nfs/dbraw/zinc/28/99/55/159289955.db2.gz LMBUAPUVTZAUCF-INIZCTEOSA-N 2 2 347.507 2.287 10 0 EEAELP C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000152248289 159656876 /nfs/dbraw/zinc/65/68/76/159656876.db2.gz NWQGFINCRVZKQX-SJORKVTESA-N 2 2 333.480 2.352 10 0 EEAELP CC[C@@H](O)C[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192045036 160166178 /nfs/dbraw/zinc/16/61/78/160166178.db2.gz UHJYNEXJZZKNPE-LJQANCHMSA-N 2 2 328.460 2.069 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000192063139 160166759 /nfs/dbraw/zinc/16/67/59/160166759.db2.gz XKQVMHYYKVJUJI-YLJYHZDGSA-N 2 2 340.471 2.333 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000192063139 160166760 /nfs/dbraw/zinc/16/67/60/160166760.db2.gz XKQVMHYYKVJUJI-YLJYHZDGSA-N 2 2 340.471 2.333 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245445359 160235916 /nfs/dbraw/zinc/23/59/16/160235916.db2.gz YVAUTOULOCBNCM-MAUKXSAKSA-N 2 2 335.467 2.412 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245445359 160235919 /nfs/dbraw/zinc/23/59/19/160235919.db2.gz YVAUTOULOCBNCM-MAUKXSAKSA-N 2 2 335.467 2.412 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245445359 160235921 /nfs/dbraw/zinc/23/59/21/160235921.db2.gz YVAUTOULOCBNCM-MAUKXSAKSA-N 2 2 335.467 2.412 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245445359 160235924 /nfs/dbraw/zinc/23/59/24/160235924.db2.gz YVAUTOULOCBNCM-MAUKXSAKSA-N 2 2 335.467 2.412 10 0 EEAELP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245445793 160236063 /nfs/dbraw/zinc/23/60/63/160236063.db2.gz ZFCVCTIBUZAADS-IEBWSBKVSA-N 2 2 344.503 2.116 10 0 EEAELP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245445793 160236066 /nfs/dbraw/zinc/23/60/66/160236066.db2.gz ZFCVCTIBUZAADS-IEBWSBKVSA-N 2 2 344.503 2.116 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000246079259 160261755 /nfs/dbraw/zinc/26/17/55/160261755.db2.gz UVOHFXJNFKMUEV-CABCVRRESA-N 2 2 342.530 2.127 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000246079259 160261757 /nfs/dbraw/zinc/26/17/57/160261757.db2.gz UVOHFXJNFKMUEV-CABCVRRESA-N 2 2 342.530 2.127 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246741709 160292205 /nfs/dbraw/zinc/29/22/05/160292205.db2.gz MTDKEXLSCBSVDP-XDNAFOTISA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246741709 160292206 /nfs/dbraw/zinc/29/22/06/160292206.db2.gz MTDKEXLSCBSVDP-XDNAFOTISA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246741709 160292207 /nfs/dbraw/zinc/29/22/07/160292207.db2.gz MTDKEXLSCBSVDP-XDNAFOTISA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246741709 160292209 /nfs/dbraw/zinc/29/22/09/160292209.db2.gz MTDKEXLSCBSVDP-XDNAFOTISA-N 2 2 339.524 2.112 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]21 ZINC000246751865 160293123 /nfs/dbraw/zinc/29/31/23/160293123.db2.gz HFWZIWNSRUOXTP-SUMWQHHRSA-N 2 2 328.412 2.415 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]21 ZINC000246751865 160293124 /nfs/dbraw/zinc/29/31/24/160293124.db2.gz HFWZIWNSRUOXTP-SUMWQHHRSA-N 2 2 328.412 2.415 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]21 ZINC000246751865 160293126 /nfs/dbraw/zinc/29/31/26/160293126.db2.gz HFWZIWNSRUOXTP-SUMWQHHRSA-N 2 2 328.412 2.415 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]21 ZINC000246751865 160293128 /nfs/dbraw/zinc/29/31/28/160293128.db2.gz HFWZIWNSRUOXTP-SUMWQHHRSA-N 2 2 328.412 2.415 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3C[N@H+](C(C)C)C[C@H]3C)cn21 ZINC000247049465 160307091 /nfs/dbraw/zinc/30/70/91/160307091.db2.gz IGUFJIYCEOVSNO-CZUORRHYSA-N 2 2 329.448 2.171 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@@H]3C[N@@H+](C(C)C)C[C@H]3C)cn21 ZINC000247049465 160307093 /nfs/dbraw/zinc/30/70/93/160307093.db2.gz IGUFJIYCEOVSNO-CZUORRHYSA-N 2 2 329.448 2.171 10 0 EEAELP CCCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247993119 160336032 /nfs/dbraw/zinc/33/60/32/160336032.db2.gz JQHKCHZFGJEKSU-OALUTQOASA-N 2 2 329.488 2.499 10 0 EEAELP CCCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247993119 160336034 /nfs/dbraw/zinc/33/60/34/160336034.db2.gz JQHKCHZFGJEKSU-OALUTQOASA-N 2 2 329.488 2.499 10 0 EEAELP CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247993119 160336035 /nfs/dbraw/zinc/33/60/35/160336035.db2.gz JQHKCHZFGJEKSU-OALUTQOASA-N 2 2 329.488 2.499 10 0 EEAELP CCCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247993119 160336037 /nfs/dbraw/zinc/33/60/37/160336037.db2.gz JQHKCHZFGJEKSU-OALUTQOASA-N 2 2 329.488 2.499 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344050690 161193719 /nfs/dbraw/zinc/19/37/19/161193719.db2.gz HUTUSDWBBRYPII-QZTJIDSGSA-N 2 2 342.487 2.407 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344050690 161193720 /nfs/dbraw/zinc/19/37/20/161193720.db2.gz HUTUSDWBBRYPII-QZTJIDSGSA-N 2 2 342.487 2.407 10 0 EEAELP COC(=O)[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344688001 161236031 /nfs/dbraw/zinc/23/60/31/161236031.db2.gz 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2 334.460 2.361 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000296180192 293909364 /nfs/dbraw/zinc/90/93/64/293909364.db2.gz BDTZSAKCBRANEE-OAHLLOKOSA-N 2 2 345.447 2.441 10 0 EEAELP COCCOc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1OC ZINC000414123221 312973004 /nfs/dbraw/zinc/97/30/04/312973004.db2.gz JHLMMRPDRIZFBY-CQSZACIVSA-N 2 2 333.432 2.347 10 0 EEAELP [NH3+]C[C@@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CCCCC1 ZINC000417469863 313519917 /nfs/dbraw/zinc/51/99/17/313519917.db2.gz RAXUMHNFVROVCG-GFCCVEGCSA-N 2 2 347.385 2.152 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000438996849 315062395 /nfs/dbraw/zinc/06/23/95/315062395.db2.gz FPMOCFMVXBMYAG-WMLDXEAASA-N 2 2 349.475 2.415 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000438996849 315062397 /nfs/dbraw/zinc/06/23/97/315062397.db2.gz FPMOCFMVXBMYAG-WMLDXEAASA-N 2 2 349.475 2.415 10 0 EEAELP CC(C)(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)C(=O)N1CCCC1 ZINC000528011749 317302543 /nfs/dbraw/zinc/30/25/43/317302543.db2.gz JAXLAQYWEHEZDD-UHFFFAOYSA-N 2 2 330.476 2.289 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528430116 317384153 /nfs/dbraw/zinc/38/41/53/317384153.db2.gz WIZQZSFLIALDOE-IAGOWNOFSA-N 2 2 343.471 2.475 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528430116 317384155 /nfs/dbraw/zinc/38/41/55/317384155.db2.gz WIZQZSFLIALDOE-IAGOWNOFSA-N 2 2 343.471 2.475 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000533543094 317918520 /nfs/dbraw/zinc/91/85/20/317918520.db2.gz AXEPHHWMLQREPO-GOSISDBHSA-N 2 2 341.459 2.198 10 0 EEAELP Cc1nc(C)c([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000541229713 318094460 /nfs/dbraw/zinc/09/44/60/318094460.db2.gz QFEYCAUIQVAKQC-OCCSQVGLSA-N 2 2 347.488 2.335 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000565842267 319220124 /nfs/dbraw/zinc/22/01/24/319220124.db2.gz CYBJGOCRBVYFJC-KRWDZBQOSA-N 2 2 347.528 2.062 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000565842267 319220126 /nfs/dbraw/zinc/22/01/26/319220126.db2.gz CYBJGOCRBVYFJC-KRWDZBQOSA-N 2 2 347.528 2.062 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C2CCC(C(F)F)CC2)C1=O ZINC000566657934 319309171 /nfs/dbraw/zinc/30/91/71/319309171.db2.gz VDVFLOURHDGCOU-RUXDESIVSA-N 2 2 340.418 2.325 10 0 EEAELP CC[NH+](CC)CCOc1cc(NC(=O)Cn2cc[nH+]c2)ccc1OC ZINC000567533036 319388300 /nfs/dbraw/zinc/38/83/00/319388300.db2.gz QZURBGDJLXSSFI-UHFFFAOYSA-N 2 2 346.431 2.251 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(CCO)CC1 ZINC000569833064 319612631 /nfs/dbraw/zinc/61/26/31/319612631.db2.gz RCOTWMRXELUFCL-AWEZNQCLSA-N 2 2 342.443 2.498 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cn2ccccc2n1 ZINC000572138588 319819488 /nfs/dbraw/zinc/81/94/88/319819488.db2.gz DGRMETYKJHUOBS-QGTPRVQTSA-N 2 2 328.460 2.363 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)C[NH+]3CC(C)(C)C3)c[nH+]2)CC1 ZINC000576180760 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10 0 EEAELP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000581492002 324265472 /nfs/dbraw/zinc/26/54/72/324265472.db2.gz QBXULCZYTFVLFP-AWEZNQCLSA-N 2 2 346.450 2.383 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)NC(C)(C)c2[nH]cc[nH+]2)CC1 ZINC000582187011 324398988 /nfs/dbraw/zinc/39/89/88/324398988.db2.gz ZYHLRZPOPFZXFL-UHFFFAOYSA-N 2 2 327.432 2.381 10 0 EEAELP Cc1nc(NCC(C)(C)[N@@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000532014903 448182155 /nfs/dbraw/zinc/18/21/55/448182155.db2.gz NDVAFBWFBCPPDR-UHFFFAOYSA-N 2 2 340.475 2.495 10 0 EEAELP Cc1nc(NCC(C)(C)[N@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000532014903 448182163 /nfs/dbraw/zinc/18/21/63/448182163.db2.gz NDVAFBWFBCPPDR-UHFFFAOYSA-N 2 2 340.475 2.495 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCC([C@H](C)[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000529366239 448842456 /nfs/dbraw/zinc/84/24/56/448842456.db2.gz JTVHMDIZMZUJLH-AWEZNQCLSA-N 2 2 348.495 2.089 10 0 EEAELP CCCC[C@@H](C[NH3+])NC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000627080322 451114376 /nfs/dbraw/zinc/11/43/76/451114376.db2.gz PJQVIDSYRSJCID-AWEZNQCLSA-N 2 2 336.484 2.137 10 0 EEAELP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000336878420 465074051 /nfs/dbraw/zinc/07/40/51/465074051.db2.gz FGRMGHUCNCUXOC-YJBOKZPZSA-N 2 2 334.460 2.296 10 0 EEAELP COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000336878420 465074057 /nfs/dbraw/zinc/07/40/57/465074057.db2.gz FGRMGHUCNCUXOC-YJBOKZPZSA-N 2 2 334.460 2.296 10 0 EEAELP COc1ccc(OC)c([C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000336878420 465074062 /nfs/dbraw/zinc/07/40/62/465074062.db2.gz FGRMGHUCNCUXOC-YJBOKZPZSA-N 2 2 334.460 2.296 10 0 EEAELP COc1ccc(OC)c([C@@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000336878420 465074067 /nfs/dbraw/zinc/07/40/67/465074067.db2.gz FGRMGHUCNCUXOC-YJBOKZPZSA-N 2 2 334.460 2.296 10 0 EEAELP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000358427853 465115785 /nfs/dbraw/zinc/11/57/85/465115785.db2.gz WBOYNLDZGSBDSR-QGZVFWFLSA-N 2 2 347.507 2.342 10 0 EEAELP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000358427853 465115788 /nfs/dbraw/zinc/11/57/88/465115788.db2.gz WBOYNLDZGSBDSR-QGZVFWFLSA-N 2 2 347.507 2.342 10 0 EEAELP CC[N@H+](CCC1CC[NH+](Cc2nc(N(C)C)no2)CC1)CC1CC1 ZINC000337168528 465224318 /nfs/dbraw/zinc/22/43/18/465224318.db2.gz BPRXHDMFOKBRPH-UHFFFAOYSA-N 2 2 335.496 2.470 10 0 EEAELP CC[N@@H+](CCC1CC[NH+](Cc2nc(N(C)C)no2)CC1)CC1CC1 ZINC000337168528 465224323 /nfs/dbraw/zinc/22/43/23/465224323.db2.gz BPRXHDMFOKBRPH-UHFFFAOYSA-N 2 2 335.496 2.470 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[NH+]1CCCC[C@H]1C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619800 465254725 /nfs/dbraw/zinc/25/47/25/465254725.db2.gz KTQFDAYXSNNNSH-BDXSIMOUSA-N 2 2 339.524 2.111 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[NH+]1CCCC[C@H]1C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619800 465254728 /nfs/dbraw/zinc/25/47/28/465254728.db2.gz KTQFDAYXSNNNSH-BDXSIMOUSA-N 2 2 339.524 2.111 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619800 465254730 /nfs/dbraw/zinc/25/47/30/465254730.db2.gz KTQFDAYXSNNNSH-BDXSIMOUSA-N 2 2 339.524 2.111 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000351619800 465254731 /nfs/dbraw/zinc/25/47/31/465254731.db2.gz KTQFDAYXSNNNSH-BDXSIMOUSA-N 2 2 339.524 2.111 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351619802 465254755 /nfs/dbraw/zinc/25/47/55/465254755.db2.gz KTQFDAYXSNNNSH-MLHJIOFPSA-N 2 2 339.524 2.111 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000351619802 465254756 /nfs/dbraw/zinc/25/47/56/465254756.db2.gz KTQFDAYXSNNNSH-MLHJIOFPSA-N 2 2 339.524 2.111 10 0 EEAELP C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000551984006 468288598 /nfs/dbraw/zinc/28/85/98/468288598.db2.gz MUAHWNXMNCLJBE-KCQAQPDRSA-N 2 2 328.416 2.418 10 0 EEAELP Cc1c(NC(=O)CC[N@@H+]2CC3CCC2(C[NH3+])CC3)cccc1[N+](=O)[O-] ZINC000568245680 468307705 /nfs/dbraw/zinc/30/77/05/468307705.db2.gz UTKFNDZRFTZXSI-UHFFFAOYSA-N 2 2 346.431 2.435 10 0 EEAELP Cc1c(NC(=O)CC[N@H+]2CC3CCC2(C[NH3+])CC3)cccc1[N+](=O)[O-] ZINC000568245680 468307710 /nfs/dbraw/zinc/30/77/10/468307710.db2.gz UTKFNDZRFTZXSI-UHFFFAOYSA-N 2 2 346.431 2.435 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114822435 462684145 /nfs/dbraw/zinc/68/41/45/462684145.db2.gz IBKLADRRTCKLMY-IAGOWNOFSA-N 2 2 347.507 2.200 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)C2 ZINC000129514089 462710851 /nfs/dbraw/zinc/71/08/51/462710851.db2.gz NABYCSYZLAGSNZ-KGLIPLIRSA-N 2 2 333.480 2.094 10 0 EEAELP CCc1cnccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000155220971 462861691 /nfs/dbraw/zinc/86/16/91/462861691.db2.gz JJSMVRBQWFBENP-UHFFFAOYSA-N 2 2 344.503 2.324 10 0 EEAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000048172965 462869718 /nfs/dbraw/zinc/86/97/18/462869718.db2.gz IPVVULVRNLBDSK-AWEZNQCLSA-N 2 2 331.464 2.374 10 0 EEAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048485296 462914416 /nfs/dbraw/zinc/91/44/16/462914416.db2.gz FZMJCXHGXQKBDV-HNNXBMFYSA-N 2 2 333.480 2.211 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000079461744 463217129 /nfs/dbraw/zinc/21/71/29/463217129.db2.gz VHROZOCNTJNFAP-ILXRZTDVSA-N 2 2 349.441 2.449 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000079461744 463217133 /nfs/dbraw/zinc/21/71/33/463217133.db2.gz VHROZOCNTJNFAP-ILXRZTDVSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000079461744 463217136 /nfs/dbraw/zinc/21/71/36/463217136.db2.gz VHROZOCNTJNFAP-ILXRZTDVSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000079461744 463217139 /nfs/dbraw/zinc/21/71/39/463217139.db2.gz VHROZOCNTJNFAP-ILXRZTDVSA-N 2 2 349.441 2.449 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2c1 ZINC000158827692 463253925 /nfs/dbraw/zinc/25/39/25/463253925.db2.gz NBDYKPDKUUDIGY-GASCZTMLSA-N 2 2 344.484 2.229 10 0 EEAELP Cc1ccn2cc(CNC(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)[nH+]c2c1 ZINC000522078439 468353469 /nfs/dbraw/zinc/35/34/69/468353469.db2.gz CBQKPURVMOZAJP-INIZCTEOSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccn2cc(CNC(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)[nH+]c2c1 ZINC000522078439 468353474 /nfs/dbraw/zinc/35/34/74/468353474.db2.gz CBQKPURVMOZAJP-INIZCTEOSA-N 2 2 327.432 2.021 10 0 EEAELP CS[C@H](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000124502860 463430446 /nfs/dbraw/zinc/43/04/46/463430446.db2.gz JPNLDDBEXHXYHI-OAHLLOKOSA-N 2 2 327.538 2.195 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2noc(C3CCOCC3)n2)CC1 ZINC000105876799 463485033 /nfs/dbraw/zinc/48/50/33/463485033.db2.gz PYQHCYHTYZDCBC-UHFFFAOYSA-N 2 2 345.447 2.152 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000105897260 463491530 /nfs/dbraw/zinc/49/15/30/463491530.db2.gz LAZFKSGVJHSABE-INIZCTEOSA-N 2 2 330.476 2.387 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000105897260 463491537 /nfs/dbraw/zinc/49/15/37/463491537.db2.gz LAZFKSGVJHSABE-INIZCTEOSA-N 2 2 330.476 2.387 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000151290758 463508246 /nfs/dbraw/zinc/50/82/46/463508246.db2.gz RTFKRAKEHPPVTE-QAPCUYQASA-N 2 2 347.459 2.141 10 0 EEAELP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000058393376 463591554 /nfs/dbraw/zinc/59/15/54/463591554.db2.gz PUNDXYJCYYUMAO-UHFFFAOYSA-N 2 2 338.459 2.329 10 0 EEAELP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000073906813 463669298 /nfs/dbraw/zinc/66/92/98/463669298.db2.gz WLUATASOQJEFTI-RDJZCZTQSA-N 2 2 343.475 2.343 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CN(C(=O)OC(C)(C)C)C2)cn1 ZINC000170603061 463681711 /nfs/dbraw/zinc/68/17/11/463681711.db2.gz PRYAQNOCGXRCKE-UHFFFAOYSA-N 2 2 343.431 2.285 10 0 EEAELP CC1(C)COCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000170861686 463724545 /nfs/dbraw/zinc/72/45/45/463724545.db2.gz PXZSQLUVHUEWCC-UHFFFAOYSA-N 2 2 345.487 2.123 10 0 EEAELP CC1(C)COCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000170861686 463724548 /nfs/dbraw/zinc/72/45/48/463724548.db2.gz PXZSQLUVHUEWCC-UHFFFAOYSA-N 2 2 345.487 2.123 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194317906 463835112 /nfs/dbraw/zinc/83/51/12/463835112.db2.gz VXRJVGCSBORNLC-UHFFFAOYSA-N 2 2 333.480 2.210 10 0 EEAELP CC(C)[C@@H](C)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1 ZINC000178586517 463925503 /nfs/dbraw/zinc/92/55/03/463925503.db2.gz MXLZXDACDRMJGQ-YJBOKZPZSA-N 2 2 328.460 2.210 10 0 EEAELP C[N@H+](CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000263873009 464222405 /nfs/dbraw/zinc/22/24/05/464222405.db2.gz YDAMVQRYLBCIDR-UHFFFAOYSA-N 2 2 341.459 2.431 10 0 EEAELP C[N@@H+](CCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000263873009 464222413 /nfs/dbraw/zinc/22/24/13/464222413.db2.gz YDAMVQRYLBCIDR-UHFFFAOYSA-N 2 2 341.459 2.431 10 0 EEAELP O=C([C@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[NH+]2CCC[C@H]2C1 ZINC000242155932 464455973 /nfs/dbraw/zinc/45/59/73/464455973.db2.gz WUKSVWTTZNKXDU-RBUKOAKNSA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[NH+]2CCC[C@H]2C1 ZINC000242155932 464455981 /nfs/dbraw/zinc/45/59/81/464455981.db2.gz WUKSVWTTZNKXDU-RBUKOAKNSA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000242155932 464455987 /nfs/dbraw/zinc/45/59/87/464455987.db2.gz WUKSVWTTZNKXDU-RBUKOAKNSA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000242155932 464455991 /nfs/dbraw/zinc/45/59/91/464455991.db2.gz WUKSVWTTZNKXDU-RBUKOAKNSA-N 2 2 342.487 2.133 10 0 EEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)cs1 ZINC000182112091 464574197 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Cc1nc(N2CCC[C@@H]([N@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000192268736 464896595 /nfs/dbraw/zinc/89/65/95/464896595.db2.gz BVDSYDXWCHLJDH-OAHLLOKOSA-N 2 2 334.464 2.417 10 0 EEAELP Cc1nc(N2CCC[C@@H]([N@@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000192268736 464896602 /nfs/dbraw/zinc/89/66/02/464896602.db2.gz BVDSYDXWCHLJDH-OAHLLOKOSA-N 2 2 334.464 2.417 10 0 EEAELP CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000249703397 464903883 /nfs/dbraw/zinc/90/38/83/464903883.db2.gz ZRZXDUDZZYEWSR-DLBZAZTESA-N 2 2 326.444 2.352 10 0 EEAELP CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000249703397 464903889 /nfs/dbraw/zinc/90/38/89/464903889.db2.gz ZRZXDUDZZYEWSR-DLBZAZTESA-N 2 2 326.444 2.352 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000177379589 464999127 /nfs/dbraw/zinc/99/91/27/464999127.db2.gz GRTROVUTNXQXDV-KGLIPLIRSA-N 2 2 337.439 2.038 10 0 EEAELP C[C@@H]([NH2+][C@H](C)c1cnn(C)c1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348326466 465551463 /nfs/dbraw/zinc/55/14/63/465551463.db2.gz YQRWTQNTVWWKNW-CHWSQXEVSA-N 2 2 338.415 2.488 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000360290790 465554408 /nfs/dbraw/zinc/55/44/08/465554408.db2.gz HKYBSLVYDQUINP-KURKYZTESA-N 2 2 349.519 2.105 10 0 EEAELP CCOC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348352725 465563579 /nfs/dbraw/zinc/56/35/79/465563579.db2.gz LXZVJSVYQIXUEN-CYBMUJFWSA-N 2 2 344.415 2.289 10 0 EEAELP CCOC(=O)CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348352725 465563583 /nfs/dbraw/zinc/56/35/83/465563583.db2.gz LXZVJSVYQIXUEN-CYBMUJFWSA-N 2 2 344.415 2.289 10 0 EEAELP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)[C@H]1C ZINC000366831207 465960067 /nfs/dbraw/zinc/96/00/67/465960067.db2.gz UKOOVTWGHYEIMS-CWRNSKLLSA-N 2 2 328.416 2.335 10 0 EEAELP Cc1ccc(CCC[N@@H+]2CCn3c(nnc3-c3cccnc3)C2)c[nH+]1 ZINC000353658807 466044850 /nfs/dbraw/zinc/04/48/50/466044850.db2.gz JSITUAQQYMGQKZ-UHFFFAOYSA-N 2 2 334.427 2.492 10 0 EEAELP Cc1ccc(CCC[N@H+]2CCn3c(nnc3-c3cccnc3)C2)c[nH+]1 ZINC000353658807 466044857 /nfs/dbraw/zinc/04/48/57/466044857.db2.gz JSITUAQQYMGQKZ-UHFFFAOYSA-N 2 2 334.427 2.492 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000353826195 466179638 /nfs/dbraw/zinc/17/96/38/466179638.db2.gz MBKGLFBPWXCZBL-QGZVFWFLSA-N 2 2 340.471 3.027 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CCC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000353826195 466179647 /nfs/dbraw/zinc/17/96/47/466179647.db2.gz MBKGLFBPWXCZBL-QGZVFWFLSA-N 2 2 340.471 3.027 10 0 EEAELP C[C@H]1CCC[C@](CNc2cc(N3CCOCC3)[nH+]cn2)([NH+](C)C)C1 ZINC000302881155 466204501 /nfs/dbraw/zinc/20/45/01/466204501.db2.gz HUYNVBMTIDCHEL-YJBOKZPZSA-N 2 2 333.480 2.236 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000367548109 466406452 /nfs/dbraw/zinc/40/64/52/466406452.db2.gz DCZAGTYDBIVWFJ-YYWHXJBOSA-N 2 2 339.483 2.485 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000367548109 466406459 /nfs/dbraw/zinc/40/64/59/466406459.db2.gz DCZAGTYDBIVWFJ-YYWHXJBOSA-N 2 2 339.483 2.485 10 0 EEAELP Cn1c[nH+]cc1C[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000367548871 466407483 /nfs/dbraw/zinc/40/74/83/466407483.db2.gz FQIOZPRYOBKGBQ-ZDUSSCGKSA-N 2 2 326.322 2.487 10 0 EEAELP Cn1c[nH+]cc1C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000367548871 466407487 /nfs/dbraw/zinc/40/74/87/466407487.db2.gz FQIOZPRYOBKGBQ-ZDUSSCGKSA-N 2 2 326.322 2.487 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000313699756 466544417 /nfs/dbraw/zinc/54/44/17/466544417.db2.gz CYNOWIFADYLOGE-OAHLLOKOSA-N 2 2 327.266 2.302 10 0 EEAELP COCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000313699756 466544423 /nfs/dbraw/zinc/54/44/23/466544423.db2.gz CYNOWIFADYLOGE-OAHLLOKOSA-N 2 2 327.266 2.302 10 0 EEAELP Cc1ccc(C2CC[NH+]([C@H](C)C(=O)Nc3ncccn3)CC2)c[nH+]1 ZINC000363673392 466552158 /nfs/dbraw/zinc/55/21/58/466552158.db2.gz PJQFCCQOHISIBD-CQSZACIVSA-N 2 2 325.416 2.387 10 0 EEAELP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422775650 466682945 /nfs/dbraw/zinc/68/29/45/466682945.db2.gz AZGAIFZZGWYMMW-HKBOAZHASA-N 2 2 343.515 2.398 10 0 EEAELP Brc1cccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000423170250 466693626 /nfs/dbraw/zinc/69/36/26/466693626.db2.gz XPPPTYNWXPLQEH-JKSUJKDBSA-N 2 2 339.277 2.348 10 0 EEAELP c1cc(N[C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423243480 466702630 /nfs/dbraw/zinc/70/26/30/466702630.db2.gz ZXXYAIKHYJLHTI-BRWVUGGUSA-N 2 2 330.476 2.498 10 0 EEAELP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375711479 466869368 /nfs/dbraw/zinc/86/93/68/466869368.db2.gz QZVJQPKVFSJEBO-UHFFFAOYSA-N 2 2 343.456 2.210 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417945509 466997434 /nfs/dbraw/zinc/99/74/34/466997434.db2.gz DJTMWPAZMDHXRG-RLCCDNCMSA-N 2 2 340.418 2.007 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417945509 466997438 /nfs/dbraw/zinc/99/74/38/466997438.db2.gz DJTMWPAZMDHXRG-RLCCDNCMSA-N 2 2 340.418 2.007 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412100498 467009715 /nfs/dbraw/zinc/00/97/15/467009715.db2.gz ISLDGCIIDUXXIG-APWZRJJASA-N 2 2 331.460 2.190 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000412100498 467009716 /nfs/dbraw/zinc/00/97/16/467009716.db2.gz ISLDGCIIDUXXIG-APWZRJJASA-N 2 2 331.460 2.190 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418268952 467086581 /nfs/dbraw/zinc/08/65/81/467086581.db2.gz YOTYJDBLIAKNAH-DOMZBBRYSA-N 2 2 347.850 2.323 10 0 EEAELP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000418280443 467087782 /nfs/dbraw/zinc/08/77/82/467087782.db2.gz MBECIBXRSBQTAR-QGZVFWFLSA-N 2 2 329.448 2.085 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000420366662 467379649 /nfs/dbraw/zinc/37/96/49/467379649.db2.gz JLXRLJWWGFXTBC-IFXJQAMLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000420366662 467379653 /nfs/dbraw/zinc/37/96/53/467379653.db2.gz JLXRLJWWGFXTBC-IFXJQAMLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)cc1Br ZINC000395052975 467434604 /nfs/dbraw/zinc/43/46/04/467434604.db2.gz ROQVVNYSDNJTPF-CYBMUJFWSA-N 2 2 343.265 2.004 10 0 EEAELP COc1ccc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)cc1Br ZINC000395052975 467434607 /nfs/dbraw/zinc/43/46/07/467434607.db2.gz ROQVVNYSDNJTPF-CYBMUJFWSA-N 2 2 343.265 2.004 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000398225143 467448288 /nfs/dbraw/zinc/44/82/88/467448288.db2.gz XOOBDPPHOUBSFG-NZSAHSFTSA-N 2 2 344.455 2.410 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000398225143 467448296 /nfs/dbraw/zinc/44/82/96/467448296.db2.gz XOOBDPPHOUBSFG-NZSAHSFTSA-N 2 2 344.455 2.410 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414929287 467452382 /nfs/dbraw/zinc/45/23/82/467452382.db2.gz NRXQKKUUCQWREG-DVOMOZLQSA-N 2 2 335.448 2.009 10 0 EEAELP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414947236 467456286 /nfs/dbraw/zinc/45/62/86/467456286.db2.gz VUHRPVGMVJUSOU-WMLDXEAASA-N 2 2 342.443 2.137 10 0 EEAELP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)CC[NH2+]2)cc1 ZINC000415056279 467477690 /nfs/dbraw/zinc/47/76/90/467477690.db2.gz PRFQPDCMUZMZDS-MAHYXTOZSA-N 2 2 342.531 2.286 10 0 EEAELP c1ccc([C@@H]2C[C@@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC[NH2+]2)cc1 ZINC000415056279 467477694 /nfs/dbraw/zinc/47/76/94/467477694.db2.gz PRFQPDCMUZMZDS-MAHYXTOZSA-N 3 2 342.531 2.286 10 0 EEAELP CC(C)C[C@@H]([NH3+])C[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000415077007 467483318 /nfs/dbraw/zinc/48/33/18/467483318.db2.gz DJUHRRXQMFNLFB-MRXNPFEDSA-N 2 2 332.492 2.053 10 0 EEAELP CC(C)C[C@@H]([NH3+])CNC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000415077007 467483323 /nfs/dbraw/zinc/48/33/23/467483323.db2.gz DJUHRRXQMFNLFB-MRXNPFEDSA-N 2 2 332.492 2.053 10 0 EEAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449395007 467636934 /nfs/dbraw/zinc/63/69/34/467636934.db2.gz PAODRHZDGVASJJ-WBVHZDCISA-N 2 2 336.476 2.071 10 0 EEAELP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449395007 467636936 /nfs/dbraw/zinc/63/69/36/467636936.db2.gz PAODRHZDGVASJJ-WBVHZDCISA-N 2 2 336.476 2.071 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1OC(C)C ZINC000449393570 467636950 /nfs/dbraw/zinc/63/69/50/467636950.db2.gz MBYRXIJTFJCYTD-KRWDZBQOSA-N 2 2 336.476 2.419 10 0 EEAELP COc1cccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1OC(C)C ZINC000449393570 467636953 /nfs/dbraw/zinc/63/69/53/467636953.db2.gz MBYRXIJTFJCYTD-KRWDZBQOSA-N 2 2 336.476 2.419 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000514850294 467957917 /nfs/dbraw/zinc/95/79/17/467957917.db2.gz UGQQLRNRQYZQJC-QGZVFWFLSA-N 2 2 345.491 2.129 10 0 EEAELP C[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000486163656 468011259 /nfs/dbraw/zinc/01/12/59/468011259.db2.gz IXZSNYSNCWAUMQ-XIRDDKMYSA-N 2 2 338.471 2.127 10 0 EEAELP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000517060908 468068774 /nfs/dbraw/zinc/06/87/74/468068774.db2.gz PMQMGOKDRRLUQA-OCCSQVGLSA-N 2 2 328.416 2.283 10 0 EEAELP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000517060908 468068777 /nfs/dbraw/zinc/06/87/77/468068777.db2.gz PMQMGOKDRRLUQA-OCCSQVGLSA-N 2 2 328.416 2.283 10 0 EEAELP C[C@H]1C[C@H](CCNC(=O)Cn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000548895779 468154703 /nfs/dbraw/zinc/15/47/03/468154703.db2.gz JMAFOHZOAHIBQD-WMZOPIPTSA-N 2 2 326.444 2.300 10 0 EEAELP C[C@H]1C[C@H](CCNC(=O)Cn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000548895779 468154708 /nfs/dbraw/zinc/15/47/08/468154708.db2.gz JMAFOHZOAHIBQD-WMZOPIPTSA-N 2 2 326.444 2.300 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000557544045 468635139 /nfs/dbraw/zinc/63/51/39/468635139.db2.gz SBNZAAYZKRIXEE-MRXNPFEDSA-N 2 2 330.476 2.276 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)C1 ZINC000557544045 468635145 /nfs/dbraw/zinc/63/51/45/468635145.db2.gz SBNZAAYZKRIXEE-MRXNPFEDSA-N 2 2 330.476 2.276 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000583872992 468768377 /nfs/dbraw/zinc/76/83/77/468768377.db2.gz YFHBTKHAJSWUJL-QGZVFWFLSA-N 2 2 330.457 2.284 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000583872992 468768380 /nfs/dbraw/zinc/76/83/80/468768380.db2.gz YFHBTKHAJSWUJL-QGZVFWFLSA-N 2 2 330.457 2.284 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1C ZINC000601333128 468829391 /nfs/dbraw/zinc/82/93/91/468829391.db2.gz ARWMSVPXKWQCDY-NVXWUHKLSA-N 2 2 344.459 2.025 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1C ZINC000601333128 468829395 /nfs/dbraw/zinc/82/93/95/468829395.db2.gz ARWMSVPXKWQCDY-NVXWUHKLSA-N 2 2 344.459 2.025 10 0 EEAELP C[N@@H+]1CCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000571746130 468831695 /nfs/dbraw/zinc/83/16/95/468831695.db2.gz GXVGHJCTOLDCKA-CMPLNLGQSA-N 2 2 342.896 2.063 10 0 EEAELP C[N@H+]1CCN(C(=O)N[C@@H]2CCCc3sc(Cl)cc32)[C@@H](C[NH3+])C1 ZINC000571746130 468831698 /nfs/dbraw/zinc/83/16/98/468831698.db2.gz GXVGHJCTOLDCKA-CMPLNLGQSA-N 2 2 342.896 2.063 10 0 EEAELP C[C@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[NH+]1CCC(C)CC1 ZINC000588975325 469184224 /nfs/dbraw/zinc/18/42/24/469184224.db2.gz UBIROQVWXKWOIK-OAHLLOKOSA-N 2 2 333.480 2.139 10 0 EEAELP COC(=O)Cc1cc[nH+]c(NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000596315022 469241445 /nfs/dbraw/zinc/24/14/45/469241445.db2.gz BEKDWPIIGYFLBR-UHFFFAOYSA-N 2 2 347.459 2.100 10 0 EEAELP Cc1nc(N(C)C)nc(NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)[nH+]1 ZINC000574523227 469275956 /nfs/dbraw/zinc/27/59/56/469275956.db2.gz OSDCVKUTDXOLDR-AWEZNQCLSA-N 2 2 348.882 2.657 10 0 EEAELP Cc1nc(NC[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000574523227 469275962 /nfs/dbraw/zinc/27/59/62/469275962.db2.gz OSDCVKUTDXOLDR-AWEZNQCLSA-N 2 2 348.882 2.657 10 0 EEAELP CCOC(=O)CCCC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000599668154 469332394 /nfs/dbraw/zinc/33/23/94/469332394.db2.gz DMTMDLCBBOAGFG-UHFFFAOYSA-N 2 2 326.481 2.297 10 0 EEAELP O[C@@H]1CC[C@H]2CC[N@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@@H]12 ZINC000626139952 469515204 /nfs/dbraw/zinc/51/52/04/469515204.db2.gz GSAHQWSMBYOVAQ-DFQSSKMNSA-N 2 2 329.488 2.044 10 0 EEAELP O[C@@H]1CC[C@H]2CC[N@@H+](CCC[NH+]3CCN(c4ccccc4)CC3)[C@@H]12 ZINC000626139952 469515206 /nfs/dbraw/zinc/51/52/06/469515206.db2.gz GSAHQWSMBYOVAQ-DFQSSKMNSA-N 2 2 329.488 2.044 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000629527003 469573145 /nfs/dbraw/zinc/57/31/45/469573145.db2.gz HKGRLMSYEJMMOB-MHORFTMASA-N 2 2 337.895 2.442 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000629527003 469573148 /nfs/dbraw/zinc/57/31/48/469573148.db2.gz HKGRLMSYEJMMOB-MHORFTMASA-N 2 2 337.895 2.442 10 0 EEAELP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1OCC(=O)N(C)C ZINC000629535634 469573735 /nfs/dbraw/zinc/57/37/35/469573735.db2.gz DSYSTUBGUQJHFO-ZOBUZTSGSA-N 2 2 333.476 2.335 10 0 EEAELP COc1ccc(COC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629600712 469589172 /nfs/dbraw/zinc/58/91/72/469589172.db2.gz BPSHGCUUNKAUCA-RTBURBONSA-N 2 2 348.487 2.179 10 0 EEAELP COc1ccc(COC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629600712 469589175 /nfs/dbraw/zinc/58/91/75/469589175.db2.gz BPSHGCUUNKAUCA-RTBURBONSA-N 2 2 348.487 2.179 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000626932223 469760251 /nfs/dbraw/zinc/76/02/51/469760251.db2.gz SPYXWBQJHJLRAS-DLBZAZTESA-N 2 2 345.491 2.258 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccc(Cl)s1 ZINC000617767390 469799127 /nfs/dbraw/zinc/79/91/27/469799127.db2.gz SFZZVAYVDQMGJI-UHFFFAOYSA-N 2 2 331.913 2.334 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccc(Cl)s1 ZINC000617767390 469799132 /nfs/dbraw/zinc/79/91/32/469799132.db2.gz SFZZVAYVDQMGJI-UHFFFAOYSA-N 2 2 331.913 2.334 10 0 EEAELP C[N@H+](CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)C1CCCCC1 ZINC000631043755 470054712 /nfs/dbraw/zinc/05/47/12/470054712.db2.gz YSTTVNQWJUSOQK-MRXNPFEDSA-N 2 2 335.496 2.059 10 0 EEAELP C[N@@H+](CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)C1CCCCC1 ZINC000631043755 470054716 /nfs/dbraw/zinc/05/47/16/470054716.db2.gz YSTTVNQWJUSOQK-MRXNPFEDSA-N 2 2 335.496 2.059 10 0 EEAELP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631091930 470066327 /nfs/dbraw/zinc/06/63/27/470066327.db2.gz SGDVLTUJXCBPTD-MOPGFXCFSA-N 2 2 332.492 2.151 10 0 EEAELP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)O1 ZINC000631175056 470086482 /nfs/dbraw/zinc/08/64/82/470086482.db2.gz RLHYOSFGHHKBAF-XLIONFOSSA-N 2 2 348.487 2.445 10 0 EEAELP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Br)c1OC ZINC000631842338 470187061 /nfs/dbraw/zinc/18/70/61/470187061.db2.gz YYAAJZTYOGKRBU-ZYHUDNBSSA-N 2 2 343.265 2.493 10 0 EEAELP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(Br)c1OC ZINC000631842338 470187062 /nfs/dbraw/zinc/18/70/62/470187062.db2.gz YYAAJZTYOGKRBU-ZYHUDNBSSA-N 2 2 343.265 2.493 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887138 470189442 /nfs/dbraw/zinc/18/94/42/470189442.db2.gz MHWWXPSWWZNENX-IEBWSBKVSA-N 2 2 345.487 2.166 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887138 470189443 /nfs/dbraw/zinc/18/94/43/470189443.db2.gz MHWWXPSWWZNENX-IEBWSBKVSA-N 2 2 345.487 2.166 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888311 470189702 /nfs/dbraw/zinc/18/97/02/470189702.db2.gz UZCCQVIOMZLXEK-PKOBYXMFSA-N 2 2 345.487 2.166 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631888311 470189703 /nfs/dbraw/zinc/18/97/03/470189703.db2.gz UZCCQVIOMZLXEK-PKOBYXMFSA-N 2 2 345.487 2.166 10 0 EEAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000648643959 470309870 /nfs/dbraw/zinc/30/98/70/470309870.db2.gz XTSLWTFSMJSXHJ-QGZVFWFLSA-N 2 2 344.459 2.022 10 0 EEAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000648643959 470309876 /nfs/dbraw/zinc/30/98/76/470309876.db2.gz XTSLWTFSMJSXHJ-QGZVFWFLSA-N 2 2 344.459 2.022 10 0 EEAELP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@H]1C ZINC000641805040 470488695 /nfs/dbraw/zinc/48/86/95/470488695.db2.gz DIISSYQHDSJDTG-QLFBSQMISA-N 2 2 329.444 2.120 10 0 EEAELP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@H]1C ZINC000641805040 470488699 /nfs/dbraw/zinc/48/86/99/470488699.db2.gz DIISSYQHDSJDTG-QLFBSQMISA-N 2 2 329.444 2.120 10 0 EEAELP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033156 470500117 /nfs/dbraw/zinc/50/01/17/470500117.db2.gz ADQMCZDDYMWFGF-SJORKVTESA-N 2 2 340.471 3.061 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269476 470587195 /nfs/dbraw/zinc/58/71/95/470587195.db2.gz GOWYMKWGQQIOPT-KKUMJFAQSA-N 2 2 339.842 2.339 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269476 470587199 /nfs/dbraw/zinc/58/71/99/470587199.db2.gz GOWYMKWGQQIOPT-KKUMJFAQSA-N 2 2 339.842 2.339 10 0 EEAELP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635556413 470651127 /nfs/dbraw/zinc/65/11/27/470651127.db2.gz OHNBCCNBBVGHID-HZPDHXFCSA-N 2 2 328.416 2.229 10 0 EEAELP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635556413 470651132 /nfs/dbraw/zinc/65/11/32/470651132.db2.gz OHNBCCNBBVGHID-HZPDHXFCSA-N 2 2 328.416 2.229 10 0 EEAELP COCC[N@@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C(C)(C)C1 ZINC000649850988 470721127 /nfs/dbraw/zinc/72/11/27/470721127.db2.gz HXWICDIIPGRFBT-UHFFFAOYSA-N 2 2 342.487 2.474 10 0 EEAELP COCC[N@H+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)C(C)(C)C1 ZINC000649850988 470721130 /nfs/dbraw/zinc/72/11/30/470721130.db2.gz HXWICDIIPGRFBT-UHFFFAOYSA-N 2 2 342.487 2.474 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000647246560 470866049 /nfs/dbraw/zinc/86/60/49/470866049.db2.gz JRBXJLMWDYGTPE-KPFFTGBYSA-N 2 2 332.488 2.417 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000647246560 470866053 /nfs/dbraw/zinc/86/60/53/470866053.db2.gz JRBXJLMWDYGTPE-KPFFTGBYSA-N 2 2 332.488 2.417 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644548100 470979998 /nfs/dbraw/zinc/97/99/98/470979998.db2.gz OSWVHTWPQRYMPQ-OLZOCXBDSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644548100 470980003 /nfs/dbraw/zinc/98/00/03/470980003.db2.gz OSWVHTWPQRYMPQ-OLZOCXBDSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1c1ccccc1 ZINC000651593612 471048875 /nfs/dbraw/zinc/04/88/75/471048875.db2.gz QNKULUKOMRLFDU-FXAWDEMLSA-N 2 2 338.455 2.324 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1c1ccccc1 ZINC000651593612 471048880 /nfs/dbraw/zinc/04/88/80/471048880.db2.gz QNKULUKOMRLFDU-FXAWDEMLSA-N 2 2 338.455 2.324 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000654662672 471119107 /nfs/dbraw/zinc/11/91/07/471119107.db2.gz YOKFSEANRLCAIP-HDICACEKSA-N 2 2 347.507 2.425 10 0 EEAELP COc1ccc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)c2ccccc12 ZINC000651890898 471158171 /nfs/dbraw/zinc/15/81/71/471158171.db2.gz XQLFYZIKUAVEDS-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP COc1ccc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)c2ccccc12 ZINC000651890898 471158177 /nfs/dbraw/zinc/15/81/77/471158177.db2.gz XQLFYZIKUAVEDS-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C[C@H](C)O1 ZINC000657799992 471235560 /nfs/dbraw/zinc/23/55/60/471235560.db2.gz ADCKQRIZLRTAPH-PIKOESSRSA-N 2 2 331.504 2.348 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C[C@H](C)O1 ZINC000657799992 471235562 /nfs/dbraw/zinc/23/55/62/471235562.db2.gz ADCKQRIZLRTAPH-PIKOESSRSA-N 2 2 331.504 2.348 10 0 EEAELP [NH3+]CC1(CCNC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC1 ZINC000652238244 471260330 /nfs/dbraw/zinc/26/03/30/471260330.db2.gz ZDSVNUKEXGSGIU-UHFFFAOYSA-N 2 2 333.480 2.214 10 0 EEAELP C[C@@H]1CC(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C[C@@H](C)C1 ZINC000658128440 471269013 /nfs/dbraw/zinc/26/90/13/471269013.db2.gz VKVCXSPXQIVVDM-ROUUACIJSA-N 2 2 337.552 2.445 10 0 EEAELP C[C@@H]1CC(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C[C@@H](C)C1 ZINC000658128440 471269014 /nfs/dbraw/zinc/26/90/14/471269014.db2.gz VKVCXSPXQIVVDM-ROUUACIJSA-N 2 2 337.552 2.445 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nccc(OC)c2F)[C@H](C)C1 ZINC000658228388 471277534 /nfs/dbraw/zinc/27/75/34/471277534.db2.gz QOFWIXYFVVMGRQ-HUUCEWRRSA-N 2 2 339.455 2.456 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nccc(OC)c2F)[C@H](C)C1 ZINC000658228388 471277536 /nfs/dbraw/zinc/27/75/36/471277536.db2.gz QOFWIXYFVVMGRQ-HUUCEWRRSA-N 2 2 339.455 2.456 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C[C@H]1C[NH3+] ZINC000652358006 471278732 /nfs/dbraw/zinc/27/87/32/471278732.db2.gz XIBSWHGEHVBSBX-XJKCOSOUSA-N 2 2 339.867 2.271 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2cc(Cl)ccc2C)C[C@H]1C[NH3+] ZINC000652358006 471278735 /nfs/dbraw/zinc/27/87/35/471278735.db2.gz XIBSWHGEHVBSBX-XJKCOSOUSA-N 2 2 339.867 2.271 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663374963 471346077 /nfs/dbraw/zinc/34/60/77/471346077.db2.gz INNVSKLCQWKHNE-PWIZWCRZSA-N 2 2 328.456 2.191 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663374963 471346081 /nfs/dbraw/zinc/34/60/81/471346081.db2.gz INNVSKLCQWKHNE-PWIZWCRZSA-N 2 2 328.456 2.191 10 0 EEAELP Cc1ccc([C@H](CNC(=O)N[C@H](C)c2[nH+]ccn2C)[NH+](C)C)cc1 ZINC000660572253 471398251 /nfs/dbraw/zinc/39/82/51/471398251.db2.gz REDVBBUHXCXRJC-ZBFHGGJFSA-N 2 2 329.448 2.392 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC(c2ccccc2)C1 ZINC000663968999 471593184 /nfs/dbraw/zinc/59/31/84/471593184.db2.gz MIHWYQIGWJPISJ-UHFFFAOYSA-N 2 2 332.492 2.115 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC(c2ccccc2)C1 ZINC000663968999 471593191 /nfs/dbraw/zinc/59/31/91/471593191.db2.gz MIHWYQIGWJPISJ-UHFFFAOYSA-N 2 2 332.492 2.115 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC(C)(C)c1cccs1 ZINC000664123766 471645843 /nfs/dbraw/zinc/64/58/43/471645843.db2.gz HNOQFHQPQMJIKQ-UHFFFAOYSA-N 2 2 340.537 2.208 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC(C)(C)c1cccs1 ZINC000664123766 471645848 /nfs/dbraw/zinc/64/58/48/471645848.db2.gz HNOQFHQPQMJIKQ-UHFFFAOYSA-N 2 2 340.537 2.208 10 0 EEAELP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)c1[nH+]ccn1C ZINC000667257460 471713026 /nfs/dbraw/zinc/71/30/26/471713026.db2.gz MPJYWISWHPLSCZ-OAHLLOKOSA-N 2 2 329.448 2.255 10 0 EEAELP c1nc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)cc(NCC2CC2)[nH+]1 ZINC000664537889 471786364 /nfs/dbraw/zinc/78/63/64/471786364.db2.gz SWHSOBLLZFYRRV-HZPDHXFCSA-N 2 2 343.475 2.354 10 0 EEAELP CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000656660664 471798445 /nfs/dbraw/zinc/79/84/45/471798445.db2.gz OGZFBRLUCHABAC-HXUWFJFHSA-N 2 2 344.503 2.371 10 0 EEAELP CC(C)C[N@H+](Cc1cnn(C)c1)C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000656660664 471798450 /nfs/dbraw/zinc/79/84/50/471798450.db2.gz OGZFBRLUCHABAC-HXUWFJFHSA-N 2 2 344.503 2.371 10 0 EEAELP CC(C)C[NH+](Cc1cnn(C)c1)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656660664 471798455 /nfs/dbraw/zinc/79/84/55/471798455.db2.gz OGZFBRLUCHABAC-HXUWFJFHSA-N 2 2 344.503 2.371 10 0 EEAELP CC(C)C[NH+](Cc1cnn(C)c1)C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000656660664 471798460 /nfs/dbraw/zinc/79/84/60/471798460.db2.gz OGZFBRLUCHABAC-HXUWFJFHSA-N 2 2 344.503 2.371 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](Cc3c(C4CCC4)cnn3C)CC2)c1 ZINC000667596543 471836503 /nfs/dbraw/zinc/83/65/03/471836503.db2.gz MCMZAEIKZZUAKJ-UHFFFAOYSA-N 2 2 341.459 2.413 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000664939387 471905047 /nfs/dbraw/zinc/90/50/47/471905047.db2.gz UCDFPIFLICABOU-OAHLLOKOSA-N 2 2 348.482 2.385 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000664939387 471905054 /nfs/dbraw/zinc/90/50/54/471905054.db2.gz UCDFPIFLICABOU-OAHLLOKOSA-N 2 2 348.482 2.385 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CO[C@@H](C4CC4)C3)c2cc1C ZINC000667865833 471930788 /nfs/dbraw/zinc/93/07/88/471930788.db2.gz KHZFOPMUCPHPFS-GPMSIDNRSA-N 2 2 329.444 2.171 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cn2cccn2)cc1F ZINC000665259278 471983041 /nfs/dbraw/zinc/98/30/41/471983041.db2.gz AOVBELZPGGZIEU-KMFMINBZSA-N 2 2 332.423 2.155 10 0 EEAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274864 471986559 /nfs/dbraw/zinc/98/65/59/471986559.db2.gz ZSMSJJZCONMZJQ-MTFMMBMASA-N 2 2 343.515 2.178 10 0 EEAELP COc1ccccc1-c1cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)on1 ZINC000665298888 471994531 /nfs/dbraw/zinc/99/45/31/471994531.db2.gz BUSHIQZVPCTNAI-ZIAGYGMSSA-N 2 2 331.416 2.207 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319210 472068220 /nfs/dbraw/zinc/06/82/20/472068220.db2.gz KRBGLRBMVHTXRJ-PKOBYXMFSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319210 472068227 /nfs/dbraw/zinc/06/82/27/472068227.db2.gz KRBGLRBMVHTXRJ-PKOBYXMFSA-N 2 2 347.503 2.042 10 0 EEAELP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324611 472071263 /nfs/dbraw/zinc/07/12/63/472071263.db2.gz ZHFRCOIUVDFVOW-IKJBURDNSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324611 472071267 /nfs/dbraw/zinc/07/12/67/472071267.db2.gz ZHFRCOIUVDFVOW-IKJBURDNSA-N 2 2 339.524 2.112 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662797513 472256357 /nfs/dbraw/zinc/25/63/57/472256357.db2.gz KUARVVPJYVYILO-GVARAGBVSA-N 2 2 325.815 2.078 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662797513 472256360 /nfs/dbraw/zinc/25/63/60/472256360.db2.gz KUARVVPJYVYILO-GVARAGBVSA-N 2 2 325.815 2.078 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784365 472266132 /nfs/dbraw/zinc/26/61/32/472266132.db2.gz CEYZRWOLABJSPC-IBGZPJMESA-N 3 2 343.475 2.118 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784365 472266136 /nfs/dbraw/zinc/26/61/36/472266136.db2.gz CEYZRWOLABJSPC-IBGZPJMESA-N 3 2 343.475 2.118 10 0 EEAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662825225 472267898 /nfs/dbraw/zinc/26/78/98/472267898.db2.gz GDLPPNPRZGHZGU-ZYSHUDEJSA-N 2 2 346.519 2.447 10 0 EEAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](CC)[NH2+]C ZINC000662825225 472267905 /nfs/dbraw/zinc/26/79/05/472267905.db2.gz GDLPPNPRZGHZGU-ZYSHUDEJSA-N 2 2 346.519 2.447 10 0 EEAELP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662848997 472277852 /nfs/dbraw/zinc/27/78/52/472277852.db2.gz DMWJQZJQCBURQK-OIISXLGYSA-N 2 2 328.460 2.219 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222877 485624176 /nfs/dbraw/zinc/62/41/76/485624176.db2.gz OPCMQHYGCYSQTH-RWQQGDIJSA-N 2 2 347.478 2.446 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222877 485624183 /nfs/dbraw/zinc/62/41/83/485624183.db2.gz OPCMQHYGCYSQTH-RWQQGDIJSA-N 2 2 347.478 2.446 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222877 485624189 /nfs/dbraw/zinc/62/41/89/485624189.db2.gz OPCMQHYGCYSQTH-RWQQGDIJSA-N 2 2 347.478 2.446 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222877 485624197 /nfs/dbraw/zinc/62/41/97/485624197.db2.gz OPCMQHYGCYSQTH-RWQQGDIJSA-N 2 2 347.478 2.446 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000680330323 485941533 /nfs/dbraw/zinc/94/15/33/485941533.db2.gz UEHVOHFKPJDIJN-IBGZPJMESA-N 2 2 347.422 2.160 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000680330323 485941539 /nfs/dbraw/zinc/94/15/39/485941539.db2.gz UEHVOHFKPJDIJN-IBGZPJMESA-N 2 2 347.422 2.160 10 0 EEAELP CS[C@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000095968141 534091819 /nfs/dbraw/zinc/09/18/19/534091819.db2.gz KPIUUROGQVJZFA-MSOLQXFVSA-N 2 2 341.565 2.047 10 0 EEAELP CS[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000095968141 534091827 /nfs/dbraw/zinc/09/18/27/534091827.db2.gz KPIUUROGQVJZFA-MSOLQXFVSA-N 2 2 341.565 2.047 10 0 EEAELP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000415962187 528356712 /nfs/dbraw/zinc/35/67/12/528356712.db2.gz WPXDHJFBOWMVTQ-HUUCEWRRSA-N 2 2 334.464 2.027 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133190283 528369488 /nfs/dbraw/zinc/36/94/88/528369488.db2.gz BBMVHONHKVCTNG-IXDOHACOSA-N 2 2 339.430 2.412 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133190283 528369496 /nfs/dbraw/zinc/36/94/96/528369496.db2.gz BBMVHONHKVCTNG-IXDOHACOSA-N 2 2 339.430 2.412 10 0 EEAELP COc1ccc([C@H]([NH2+][C@@H](C)CN2CCCC2=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422758044 536931133 /nfs/dbraw/zinc/93/11/33/536931133.db2.gz JZIPWNPAYPKNED-FNHZYXHNSA-N 2 2 331.460 2.089 10 0 EEAELP Cc1ccccc1NC(=S)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732720524 577190022 /nfs/dbraw/zinc/19/00/22/577190022.db2.gz IULHMBVIHGHQMY-HNNXBMFYSA-N 2 2 332.517 2.450 10 0 EEAELP Cc1ccccc1NC(=S)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732720524 577190024 /nfs/dbraw/zinc/19/00/24/577190024.db2.gz IULHMBVIHGHQMY-HNNXBMFYSA-N 2 2 332.517 2.450 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)s1 ZINC000763054073 577713559 /nfs/dbraw/zinc/71/35/59/577713559.db2.gz VEEPJMGGRGNTPH-UHFFFAOYSA-N 2 2 335.517 2.439 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000738949865 578032207 /nfs/dbraw/zinc/03/22/07/578032207.db2.gz CUCQPBLMLWVPEK-MRXNPFEDSA-N 2 2 343.431 2.099 10 0 EEAELP CN(C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000924395093 677763184 /nfs/dbraw/zinc/76/31/84/677763184.db2.gz KTZJSCNROXTXPZ-OGWHTMIXSA-N 2 2 348.535 2.233 10 0 EEAELP CN(C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000924395093 677763186 /nfs/dbraw/zinc/76/31/86/677763186.db2.gz KTZJSCNROXTXPZ-OGWHTMIXSA-N 2 2 348.535 2.233 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000924902191 681355019 /nfs/dbraw/zinc/35/50/19/681355019.db2.gz NDPZEXHYMWOVLH-MOPGFXCFSA-N 2 2 344.503 2.455 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000924902191 681355022 /nfs/dbraw/zinc/35/50/22/681355022.db2.gz NDPZEXHYMWOVLH-MOPGFXCFSA-N 2 2 344.503 2.455 10 0 EEAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)(F)F)cc1 ZINC000925533846 684148293 /nfs/dbraw/zinc/14/82/93/684148293.db2.gz HIDWRIUPYCXLID-KGLIPLIRSA-N 2 2 330.350 2.493 10 0 EEAELP C[C@@H]1C[N@H+](Cc2c3c(nn2C)CCSC3)CCN1c1cc[nH+]cc1 ZINC000895558732 684642164 /nfs/dbraw/zinc/64/21/64/684642164.db2.gz VZUWLGGNWWHAAK-CQSZACIVSA-N 2 2 343.500 2.315 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2c3c(nn2C)CCSC3)CCN1c1cc[nH+]cc1 ZINC000895558732 684642166 /nfs/dbraw/zinc/64/21/66/684642166.db2.gz VZUWLGGNWWHAAK-CQSZACIVSA-N 2 2 343.500 2.315 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000895708017 684690410 /nfs/dbraw/zinc/69/04/10/684690410.db2.gz YHDLDWSGFVPZPF-IRXDYDNUSA-N 2 2 333.457 2.181 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776629 684720875 /nfs/dbraw/zinc/72/08/75/684720875.db2.gz IZCUBKMHHJVDFO-HDICACEKSA-N 2 2 348.512 2.192 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895776629 684720879 /nfs/dbraw/zinc/72/08/79/684720879.db2.gz IZCUBKMHHJVDFO-HDICACEKSA-N 2 2 348.512 2.192 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c2ncccc12 ZINC000931277636 684896086 /nfs/dbraw/zinc/89/60/86/684896086.db2.gz POTSYBOPFCSRKO-VQFNDLOPSA-N 2 2 325.412 2.013 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c2ncccc12 ZINC000931277636 684896089 /nfs/dbraw/zinc/89/60/89/684896089.db2.gz POTSYBOPFCSRKO-VQFNDLOPSA-N 2 2 325.412 2.013 10 0 EEAELP CC(C)(CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[NH+]1CCOCC1 ZINC000899958596 693942933 /nfs/dbraw/zinc/94/29/33/693942933.db2.gz MLIUXNFLPUFATR-UHFFFAOYSA-N 2 2 344.459 2.131 10 0 EEAELP CCCN(CCC[NH+](C)C)C(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924774205 693974997 /nfs/dbraw/zinc/97/49/97/693974997.db2.gz ANPVWWPRGWAIPP-UHFFFAOYSA-N 2 2 341.525 2.078 10 0 EEAELP CN1C[C@H](CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)CC1=O ZINC000903218184 694217742 /nfs/dbraw/zinc/21/77/42/694217742.db2.gz JSOMUGYDWQBFBF-MRXNPFEDSA-N 2 2 344.503 2.179 10 0 EEAELP COc1ccc(C(=O)NCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000925322006 692022302 /nfs/dbraw/zinc/02/23/02/692022302.db2.gz UFZQHPNYXJWSAT-ROUUACIJSA-N 2 2 331.460 2.032 10 0 EEAELP COc1ccc(C(=O)NCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000925322006 692022305 /nfs/dbraw/zinc/02/23/05/692022305.db2.gz UFZQHPNYXJWSAT-ROUUACIJSA-N 2 2 331.460 2.032 10 0 EEAELP CCc1cccc(C[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001485539136 1191827999 /nfs/dbraw/zinc/82/79/99/1191827999.db2.gz LPRQHKYSTHIADR-HNNXBMFYSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485646885 1191878464 /nfs/dbraw/zinc/87/84/64/1191878464.db2.gz MIFDPXNYHPAUEA-NVXWUHKLSA-N 2 2 346.475 2.048 10 0 EEAELP C[C@H](CCC[NH2+]CC[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485727564 1191919429 /nfs/dbraw/zinc/91/94/29/1191919429.db2.gz MNZANRKDBMAULH-HUUCEWRRSA-N 2 2 344.459 2.478 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1)[NH+](C)C ZINC001266468350 1176594229 /nfs/dbraw/zinc/59/42/29/1176594229.db2.gz OIDIHGXANRZGSZ-HUUCEWRRSA-N 2 2 338.883 2.156 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001691167265 1177664090 /nfs/dbraw/zinc/66/40/90/1177664090.db2.gz QSEFFXKFXFHNHL-UBVZQYPSSA-N 2 2 330.476 2.364 10 0 EEAELP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001691296984 1177847748 /nfs/dbraw/zinc/84/77/48/1177847748.db2.gz BIPRDYAXUQANKQ-RDJZCZTQSA-N 2 2 332.492 2.389 10 0 EEAELP CC(C)C[C@H](C(=O)N(C)CC[NH2+]Cc1cncs1)n1cc[nH+]c1 ZINC001691355688 1177957713 /nfs/dbraw/zinc/95/77/13/1177957713.db2.gz MFTAPNLAXCTPBW-OAHLLOKOSA-N 2 2 335.477 2.175 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001691369349 1177974115 /nfs/dbraw/zinc/97/41/15/1177974115.db2.gz NFQIWGKBVMGXSX-MTIYJEKLSA-N 2 2 338.455 2.207 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001480922987 1178454566 /nfs/dbraw/zinc/45/45/66/1178454566.db2.gz YCRDJWUQQRKVHZ-KSSFIOAISA-N 2 2 326.444 2.324 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001480922987 1178454571 /nfs/dbraw/zinc/45/45/71/1178454571.db2.gz YCRDJWUQQRKVHZ-KSSFIOAISA-N 2 2 326.444 2.324 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001480922987 1178454577 /nfs/dbraw/zinc/45/45/77/1178454577.db2.gz YCRDJWUQQRKVHZ-KSSFIOAISA-N 2 2 326.444 2.324 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001480922987 1178454581 /nfs/dbraw/zinc/45/45/81/1178454581.db2.gz YCRDJWUQQRKVHZ-KSSFIOAISA-N 2 2 326.444 2.324 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001267434115 1179003613 /nfs/dbraw/zinc/00/36/13/1179003613.db2.gz RTWNWQUFQRSCEX-LBPRGKRZSA-N 2 2 335.477 2.156 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1ccc(F)cc1Cl ZINC001267461474 1179053196 /nfs/dbraw/zinc/05/31/96/1179053196.db2.gz RAHOWZXBPBVUTK-UHFFFAOYSA-N 2 2 338.814 2.301 10 0 EEAELP CCc1nocc1C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001481179736 1180008566 /nfs/dbraw/zinc/00/85/66/1180008566.db2.gz KDFHBIGRPWRDGG-UHFFFAOYSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1nocc1C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001481179736 1180008571 /nfs/dbraw/zinc/00/85/71/1180008571.db2.gz KDFHBIGRPWRDGG-UHFFFAOYSA-N 2 2 348.491 2.192 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](CCCCc2ccccc2)C1 ZINC001267697142 1180199224 /nfs/dbraw/zinc/19/92/24/1180199224.db2.gz DPHJXNMYZGXCDI-UHFFFAOYSA-N 2 2 340.471 2.332 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1C[NH+](CCc2ccc3ccccc3c2)C1 ZINC001267701647 1180206709 /nfs/dbraw/zinc/20/67/09/1180206709.db2.gz XARAMFIFGGYVFN-UHFFFAOYSA-N 2 2 348.450 2.327 10 0 EEAELP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001481249886 1180465313 /nfs/dbraw/zinc/46/53/13/1180465313.db2.gz KMGVGJLENCBUKF-INIZCTEOSA-N 2 2 330.476 2.074 10 0 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CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1cnc(C)s1)[NH+](CC)CC ZINC001483679938 1190740240 /nfs/dbraw/zinc/74/02/40/1190740240.db2.gz RUWIAIRLXIYKCX-GDBMZVCRSA-N 2 2 338.521 2.262 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1cnc(C)s1)[NH+](CC)CC ZINC001483679938 1190740243 /nfs/dbraw/zinc/74/02/43/1190740243.db2.gz RUWIAIRLXIYKCX-GDBMZVCRSA-N 2 2 338.521 2.262 10 0 EEAELP C[C@@H](F)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001483847466 1191082497 /nfs/dbraw/zinc/08/24/97/1191082497.db2.gz LDPOZMHYTXWADU-SJLPKXTDSA-N 2 2 336.455 2.336 10 0 EEAELP C[C@@H](F)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001483847466 1191082500 /nfs/dbraw/zinc/08/25/00/1191082500.db2.gz LDPOZMHYTXWADU-SJLPKXTDSA-N 2 2 336.455 2.336 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001483940529 1191124923 /nfs/dbraw/zinc/12/49/23/1191124923.db2.gz XHBUUVBWMSQOEW-HNNXBMFYSA-N 2 2 332.473 2.158 10 0 EEAELP Cc1ccc(CC[N@@H+](C)CCCN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001484770080 1191512984 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345.447 2.129 10 0 EEAELP C[C@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001485044741 1191624491 /nfs/dbraw/zinc/62/44/91/1191624491.db2.gz ZSWOGWBSRAKWGF-POZUXBRTSA-N 2 2 344.434 2.393 10 0 EEAELP CCc1ccc(CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001485202388 1191684220 /nfs/dbraw/zinc/68/42/20/1191684220.db2.gz RXJURPFDAWGCHW-HUUCEWRRSA-N 2 2 328.460 2.240 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1ccccc1Cl ZINC001485214174 1191695859 /nfs/dbraw/zinc/69/58/59/1191695859.db2.gz HKHPKDQESCNYMS-CHWSQXEVSA-N 2 2 334.851 2.299 10 0 EEAELP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1nccs1 ZINC001486183049 1193721462 /nfs/dbraw/zinc/72/14/62/1193721462.db2.gz COYFSMRVQMXEPE-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@H+]1Cc1nccs1 ZINC001486183049 1193721464 /nfs/dbraw/zinc/72/14/64/1193721464.db2.gz COYFSMRVQMXEPE-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)co1 ZINC001486520807 1194042589 /nfs/dbraw/zinc/04/25/89/1194042589.db2.gz JYGGTVPUBLPPKS-GJZGRUSLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)co1 ZINC001486520807 1194042592 /nfs/dbraw/zinc/04/25/92/1194042592.db2.gz JYGGTVPUBLPPKS-GJZGRUSLSA-N 2 2 346.475 2.104 10 0 EEAELP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH]c[nH+]2)c(F)c1 ZINC001486525649 1194048034 /nfs/dbraw/zinc/04/80/34/1194048034.db2.gz SGQQHOCBDLGJPR-UHFFFAOYSA-N 2 2 330.407 2.464 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CCc2ccns2)c[nH+]1 ZINC001410389929 1197789376 /nfs/dbraw/zinc/78/93/76/1197789376.db2.gz HJAUTHCXUMWOQJ-ZDUSSCGKSA-N 2 2 349.504 2.062 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)co1 ZINC001410523806 1198085120 /nfs/dbraw/zinc/08/51/20/1198085120.db2.gz WNLIGJMQBGVJRW-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP CCN(CC[NH2+]Cc1ocnc1C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001273374222 1198390431 /nfs/dbraw/zinc/39/04/31/1198390431.db2.gz HXUBRYPLLCUSMS-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]C/C(Cl)=C\Cl)C[C@H]1C ZINC001410857494 1198508795 /nfs/dbraw/zinc/50/87/95/1198508795.db2.gz KKLPYWWBEPKEBR-FERDXPDCSA-N 2 2 331.247 2.090 10 0 EEAELP CC1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1[NH2+]C/C=C\Cl ZINC001410975722 1198653495 /nfs/dbraw/zinc/65/34/95/1198653495.db2.gz KZVJWXUENYQYBY-LXJUILQBSA-N 2 2 336.867 2.025 10 0 EEAELP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000870884445 1200931437 /nfs/dbraw/zinc/93/14/37/1200931437.db2.gz WLMHDAIWXIYKAP-FRQCXROJSA-N 2 2 328.460 2.206 10 0 EEAELP Cc1cnc(=S)n(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000133989245 1202264050 /nfs/dbraw/zinc/26/40/50/1202264050.db2.gz SRYXKGCQMMXCNT-SJPCQFCGSA-N 2 2 347.532 2.121 10 0 EEAELP Cc1cnc(=S)n(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000133989245 1202264053 /nfs/dbraw/zinc/26/40/53/1202264053.db2.gz SRYXKGCQMMXCNT-SJPCQFCGSA-N 2 2 347.532 2.121 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275718223 1205497303 /nfs/dbraw/zinc/49/73/03/1205497303.db2.gz VUOVBLFDOAMGAH-HLMASZERSA-N 2 2 338.883 2.350 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl ZINC001275725636 1205500412 /nfs/dbraw/zinc/50/04/12/1205500412.db2.gz MLTUPNAYAGRNOE-URWSZGRFSA-N 2 2 326.872 2.415 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl ZINC001275725636 1205500414 /nfs/dbraw/zinc/50/04/14/1205500414.db2.gz MLTUPNAYAGRNOE-URWSZGRFSA-N 2 2 326.872 2.415 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC001412574477 1205773457 /nfs/dbraw/zinc/77/34/57/1205773457.db2.gz HXOWSQLYTRNYEY-HKUYNNGSSA-N 2 2 344.503 2.407 10 0 EEAELP CC(C)[N@H+]1CCC[C@H](C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC001412574477 1205773459 /nfs/dbraw/zinc/77/34/59/1205773459.db2.gz HXOWSQLYTRNYEY-HKUYNNGSSA-N 2 2 344.503 2.407 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000924643807 1206009157 /nfs/dbraw/zinc/00/91/57/1206009157.db2.gz QADLHLKXHVFGNV-HBMCJLEFSA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000924643807 1206009159 /nfs/dbraw/zinc/00/91/59/1206009159.db2.gz QADLHLKXHVFGNV-HBMCJLEFSA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)COc1ccc(F)c(F)c1 ZINC000924969335 1206056385 /nfs/dbraw/zinc/05/63/85/1206056385.db2.gz IPWWOTWUNIFJJH-FSPWUOQZSA-N 2 2 340.414 2.311 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)COc1ccc(F)c(F)c1 ZINC000924969335 1206056386 /nfs/dbraw/zinc/05/63/86/1206056386.db2.gz IPWWOTWUNIFJJH-FSPWUOQZSA-N 2 2 340.414 2.311 10 0 EEAELP Fc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)N2CCOCC2)cc1 ZINC000925503626 1206120334 /nfs/dbraw/zinc/12/03/34/1206120334.db2.gz IZHRIELDQWDTIY-RBUKOAKNSA-N 2 2 347.478 2.463 10 0 EEAELP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623057 1206136922 /nfs/dbraw/zinc/13/69/22/1206136922.db2.gz OOHKXXZGXURRJJ-YRPNKDGESA-N 3 2 345.531 2.365 10 0 EEAELP CC1(C)C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623057 1206136924 /nfs/dbraw/zinc/13/69/24/1206136924.db2.gz OOHKXXZGXURRJJ-YRPNKDGESA-N 3 2 345.531 2.365 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000926145661 1206198575 /nfs/dbraw/zinc/19/85/75/1206198575.db2.gz DDOIDOZHNUWEOX-UHFFFAOYSA-N 2 2 345.472 2.172 10 0 EEAELP FCCn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000930279848 1206546291 /nfs/dbraw/zinc/54/62/91/1206546291.db2.gz SUIQNHUJDKVTEU-KDURUIRLSA-N 2 2 328.435 2.416 10 0 EEAELP FCCn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000930279848 1206546292 /nfs/dbraw/zinc/54/62/92/1206546292.db2.gz SUIQNHUJDKVTEU-KDURUIRLSA-N 2 2 328.435 2.416 10 0 EEAELP FCCn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000930279848 1206546293 /nfs/dbraw/zinc/54/62/93/1206546293.db2.gz SUIQNHUJDKVTEU-KDURUIRLSA-N 2 2 328.435 2.416 10 0 EEAELP FCCn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000930279848 1206546295 /nfs/dbraw/zinc/54/62/95/1206546295.db2.gz SUIQNHUJDKVTEU-KDURUIRLSA-N 2 2 328.435 2.416 10 0 EEAELP COCC[NH+](CCOC)C1CC[NH+](CCc2cccc(F)c2)CC1 ZINC000930467452 1206560460 /nfs/dbraw/zinc/56/04/60/1206560460.db2.gz QERPMCIVWHYCFU-UHFFFAOYSA-N 2 2 338.467 2.427 10 0 EEAELP Cc1[nH]c(C2CC[NH+](CC(=O)N3C[C@H](C)OC(C)(C)C3)CC2)[nH+]c1C ZINC000931748819 1207456115 /nfs/dbraw/zinc/45/61/15/1207456115.db2.gz NVBXUCQXQXVPPK-ZDUSSCGKSA-N 2 2 348.491 2.232 10 0 EEAELP CC1(C)COCC[N@H+]1CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900557083 1234481185 /nfs/dbraw/zinc/48/11/85/1234481185.db2.gz QQZMMIOYLXBUJJ-UHFFFAOYSA-N 2 2 344.459 2.131 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC000900776337 1234800082 /nfs/dbraw/zinc/80/00/82/1234800082.db2.gz FBPIKBHMNYSMSO-UHFFFAOYSA-N 2 2 333.501 2.051 10 0 EEAELP CN1C[C@@H](CC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC000903210604 1240018166 /nfs/dbraw/zinc/01/81/66/1240018166.db2.gz MAKQNGVWZAHGKU-ROUUACIJSA-N 2 2 329.488 2.498 10 0 EEAELP CN1C[C@@H](CC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC000903210604 1240018170 /nfs/dbraw/zinc/01/81/70/1240018170.db2.gz MAKQNGVWZAHGKU-ROUUACIJSA-N 2 2 329.488 2.498 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000903968451 1242784807 /nfs/dbraw/zinc/78/48/07/1242784807.db2.gz WOFHZXJYWORJRQ-YPMHNXCESA-N 2 2 331.441 2.484 10 0 EEAELP C[C@@H](CC(=O)N1CCC[C@H](C[NH2+]CCOC2CCC2)C1)n1cc[nH+]c1 ZINC001491172973 1258743295 /nfs/dbraw/zinc/74/32/95/1258743295.db2.gz DMPKWKGYZWJCBQ-DLBZAZTESA-N 2 2 348.491 2.232 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1F ZINC001491225897 1258809787 /nfs/dbraw/zinc/80/97/87/1258809787.db2.gz QMPYLYOWNRJXNT-INIZCTEOSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1F ZINC001491225897 1258809791 /nfs/dbraw/zinc/80/97/91/1258809791.db2.gz QMPYLYOWNRJXNT-INIZCTEOSA-N 2 2 339.430 2.387 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)cs1 ZINC001267894226 1276793370 /nfs/dbraw/zinc/79/33/70/1276793370.db2.gz VFKNSGJEGYGLLP-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001490762270 1291692061 /nfs/dbraw/zinc/69/20/61/1291692061.db2.gz HZVYXVQPXVANMM-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001490762270 1291692067 /nfs/dbraw/zinc/69/20/67/1291692067.db2.gz HZVYXVQPXVANMM-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP COc1ccc2c(c1)CN(C[NH+]1CCC(C[NH+]3CCCC3)CC1)C2=O ZINC000863260818 1296179736 /nfs/dbraw/zinc/17/97/36/1296179736.db2.gz RGJWKGAMBHHCGE-UHFFFAOYSA-N 2 2 343.471 2.416 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCOC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001277001323 1300766143 /nfs/dbraw/zinc/76/61/43/1300766143.db2.gz LJMVXJBIGISNEG-CTYIDZIISA-N 2 2 342.443 2.230 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCCc2ccccc2Cl)CC1 ZINC001277267103 1302091890 /nfs/dbraw/zinc/09/18/90/1302091890.db2.gz PNGYCBGGFIWOSN-UHFFFAOYSA-N 2 2 346.862 2.408 10 0 EEAELP O=C1[C@H]2CCC[C@@H]2CN1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000840040919 1315281256 /nfs/dbraw/zinc/28/12/56/1315281256.db2.gz IBZIMXUUVMYDDN-MOPGFXCFSA-N 2 2 349.519 2.027 10 0 EEAELP COCCCC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC001278673645 1317640669 /nfs/dbraw/zinc/64/06/69/1317640669.db2.gz USICLCQHAQRNGI-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001279007073 1318985132 /nfs/dbraw/zinc/98/51/32/1318985132.db2.gz VITJPMOXXCOZOA-HUUCEWRRSA-N 2 2 344.459 2.428 10 0 EEAELP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001276432687 1322005555 /nfs/dbraw/zinc/00/55/55/1322005555.db2.gz OMFUKOBGIRNANE-DOMZBBRYSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001263836887 1322533292 /nfs/dbraw/zinc/53/32/92/1322533292.db2.gz OITBHLALAZLOAZ-ZACQAIPSSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001265061940 1322901539 /nfs/dbraw/zinc/90/15/39/1322901539.db2.gz HCRNOOUBHNNOGP-ZDUSSCGKSA-N 2 2 328.407 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001265061940 1322901541 /nfs/dbraw/zinc/90/15/41/1322901541.db2.gz HCRNOOUBHNNOGP-ZDUSSCGKSA-N 2 2 328.407 2.134 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001265484786 1323178361 /nfs/dbraw/zinc/17/83/61/1323178361.db2.gz ORAPWBZHRCSFPX-ULQDDVLXSA-N 2 2 330.476 2.263 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CCC[C@H]3CCOC3)ccn12 ZINC001265775497 1323374904 /nfs/dbraw/zinc/37/49/04/1323374904.db2.gz RNQOVWMHXGFPRS-HOCLYGCPSA-N 2 2 344.459 2.167 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225208 1323798668 /nfs/dbraw/zinc/79/86/68/1323798668.db2.gz JXQFUJCQTOXNRD-YRLOJYSSSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225208 1323798673 /nfs/dbraw/zinc/79/86/73/1323798673.db2.gz JXQFUJCQTOXNRD-YRLOJYSSSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266234428 1323817797 /nfs/dbraw/zinc/81/77/97/1323817797.db2.gz DMGJMQIZUSBXNX-QGZVFWFLSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001266234428 1323817804 /nfs/dbraw/zinc/81/78/04/1323817804.db2.gz DMGJMQIZUSBXNX-QGZVFWFLSA-N 2 2 341.459 2.217 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CC=C(Cl)Cl)CC2)C1 ZINC001279668939 1323974809 /nfs/dbraw/zinc/97/48/09/1323974809.db2.gz MGBPBXRFJUXJGY-CQSZACIVSA-N 2 2 346.302 2.396 10 0 EEAELP 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CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001325005385 1333806089 /nfs/dbraw/zinc/80/60/89/1333806089.db2.gz KBMXBJAXFYEVBD-HZPDHXFCSA-N 2 2 348.491 2.204 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001325352962 1333870349 /nfs/dbraw/zinc/87/03/49/1333870349.db2.gz UEJQRPHCCNAXMF-JYJNAYRXSA-N 2 2 336.455 2.072 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCF)C2 ZINC001325352962 1333870351 /nfs/dbraw/zinc/87/03/51/1333870351.db2.gz UEJQRPHCCNAXMF-JYJNAYRXSA-N 2 2 336.455 2.072 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001326411219 1334087677 /nfs/dbraw/zinc/08/76/77/1334087677.db2.gz JNEFABMETIJDEF-HNNXBMFYSA-N 2 2 332.492 2.227 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001326446537 1334095807 /nfs/dbraw/zinc/09/58/07/1334095807.db2.gz OXNWZDDSMISETR-LSDHHAIUSA-N 2 2 340.418 2.147 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001326658719 1334136562 /nfs/dbraw/zinc/13/65/62/1334136562.db2.gz OYZGLJDILSOWNO-ROUUACIJSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001326658719 1334136563 /nfs/dbraw/zinc/13/65/63/1334136563.db2.gz OYZGLJDILSOWNO-ROUUACIJSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001326658719 1334136565 /nfs/dbraw/zinc/13/65/65/1334136565.db2.gz OYZGLJDILSOWNO-ROUUACIJSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001326658719 1334136568 /nfs/dbraw/zinc/13/65/68/1334136568.db2.gz OYZGLJDILSOWNO-ROUUACIJSA-N 2 2 339.524 2.257 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@@H](C[NH2+]CCCCCF)C1 ZINC001326991206 1334198577 /nfs/dbraw/zinc/19/85/77/1334198577.db2.gz PLTNEUOVQJIWAA-HNNXBMFYSA-N 2 2 348.422 2.133 10 0 EEAELP COCCCC[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@@H]1C ZINC001327862593 1334356918 /nfs/dbraw/zinc/35/69/18/1334356918.db2.gz SNSANRZYOCWEDY-YOEHRIQHSA-N 2 2 344.459 2.119 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCCc1ccccc1 ZINC001327923236 1334364473 /nfs/dbraw/zinc/36/44/73/1334364473.db2.gz IWTINCLTHJQEKN-LPHOPBHVSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1 ZINC001328926793 1334549454 /nfs/dbraw/zinc/54/94/54/1334549454.db2.gz BJQWXLRIFOYGSB-ZLPCBKJTSA-N 2 2 340.471 2.315 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]CCc2ccccc2)C1 ZINC001328926793 1334549460 /nfs/dbraw/zinc/54/94/60/1334549460.db2.gz BJQWXLRIFOYGSB-ZLPCBKJTSA-N 2 2 340.471 2.315 10 0 EEAELP CCCCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001332008300 1335704380 /nfs/dbraw/zinc/70/43/80/1335704380.db2.gz OXXXWHNQXACINT-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP COCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001332221223 1335772723 /nfs/dbraw/zinc/77/27/23/1335772723.db2.gz XAQBSMJQLQZWGX-HOTGVXAUSA-N 2 2 336.480 2.046 10 0 EEAELP COCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@@H]1C ZINC001332221223 1335772726 /nfs/dbraw/zinc/77/27/26/1335772726.db2.gz XAQBSMJQLQZWGX-HOTGVXAUSA-N 2 2 336.480 2.046 10 0 EEAELP COCCC[NH2+]C[C@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001332808737 1335911371 /nfs/dbraw/zinc/91/13/71/1335911371.db2.gz NHPZRJRTKQSNAO-INIZCTEOSA-N 2 2 346.475 2.413 10 0 EEAELP COC(=O)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)o1 ZINC000848894399 1338796204 /nfs/dbraw/zinc/79/62/04/1338796204.db2.gz FAIBDGHDPDZVTC-INIZCTEOSA-N 2 2 336.432 2.108 10 0 EEAELP COC(=O)/C=C/c1ccc(OCC[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC001616892107 1352333510 /nfs/dbraw/zinc/33/35/10/1352333510.db2.gz MKZAJWINIWVROT-RMKNXTFCSA-N 2 2 343.427 2.470 10 0 EEAELP COC(=O)/C=C/c1ccc(OCC[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC001616892107 1352333514 /nfs/dbraw/zinc/33/35/14/1352333514.db2.gz MKZAJWINIWVROT-RMKNXTFCSA-N 2 2 343.427 2.470 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)Cn2cc[nH+]c2)cc1C ZINC001436335344 1342038781 /nfs/dbraw/zinc/03/87/81/1342038781.db2.gz SHFLAWPCXBZDCV-GOSISDBHSA-N 2 2 326.444 2.233 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)Cn2cc[nH+]c2)cc1C ZINC001436335344 1342038783 /nfs/dbraw/zinc/03/87/83/1342038783.db2.gz SHFLAWPCXBZDCV-GOSISDBHSA-N 2 2 326.444 2.233 10 0 EEAELP O=C(NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001566714984 1342611236 /nfs/dbraw/zinc/61/12/36/1342611236.db2.gz RCZDSCYXHXQVQE-ROUUACIJSA-N 2 2 342.487 2.430 10 0 EEAELP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001567192364 1342709177 /nfs/dbraw/zinc/70/91/77/1342709177.db2.gz YDECBGDZAIVXOQ-QGZVFWFLSA-N 2 2 344.459 2.216 10 0 EEAELP CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001567192364 1342709183 /nfs/dbraw/zinc/70/91/83/1342709183.db2.gz YDECBGDZAIVXOQ-QGZVFWFLSA-N 2 2 344.459 2.216 10 0 EEAELP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001567254832 1342721994 /nfs/dbraw/zinc/72/19/94/1342721994.db2.gz RCOGBBKNSRBMHT-DLBZAZTESA-N 2 2 330.476 2.216 10 0 EEAELP O=C(NCCC[C@@H]1CCC[N@H+]1CC1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001567254832 1342721995 /nfs/dbraw/zinc/72/19/95/1342721995.db2.gz RCOGBBKNSRBMHT-DLBZAZTESA-N 2 2 330.476 2.216 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[NH2+]Cc1cscn1 ZINC001567497155 1342770007 /nfs/dbraw/zinc/77/00/07/1342770007.db2.gz MOGLLYFOSBQAPM-ZDUSSCGKSA-N 2 2 335.477 2.101 10 0 EEAELP CCCCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc[nH+]c1 ZINC001569442861 1342870818 /nfs/dbraw/zinc/87/08/18/1342870818.db2.gz LZDAURSEBZSKPM-AYHJJNSGSA-N 2 2 348.491 2.202 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001676734670 1357189096 /nfs/dbraw/zinc/18/90/96/1357189096.db2.gz GEILZJGWOLGJLE-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001676734670 1357189097 /nfs/dbraw/zinc/18/90/97/1357189097.db2.gz GEILZJGWOLGJLE-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC001647298881 1353222873 /nfs/dbraw/zinc/22/28/73/1353222873.db2.gz CNZAMKJGANZLMQ-MSOLQXFVSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC001647298881 1353222876 /nfs/dbraw/zinc/22/28/76/1353222876.db2.gz CNZAMKJGANZLMQ-MSOLQXFVSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001647298881 1353222877 /nfs/dbraw/zinc/22/28/77/1353222877.db2.gz CNZAMKJGANZLMQ-MSOLQXFVSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001647298881 1353222879 /nfs/dbraw/zinc/22/28/79/1353222879.db2.gz CNZAMKJGANZLMQ-MSOLQXFVSA-N 2 2 344.503 2.425 10 0 EEAELP CCOCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H](C)C1 ZINC001671237285 1353403628 /nfs/dbraw/zinc/40/36/28/1353403628.db2.gz FVAIPCSZLRUNOT-HZPDHXFCSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@H]1CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC[N@@H+]1C1CCCC1 ZINC001649343229 1353488546 /nfs/dbraw/zinc/48/85/46/1353488546.db2.gz IBULOYJEFHQNBO-KSSFIOAISA-N 2 2 345.491 2.265 10 0 EEAELP C[C@H]1CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC[N@H+]1C1CCCC1 ZINC001649343229 1353488549 /nfs/dbraw/zinc/48/85/49/1353488549.db2.gz IBULOYJEFHQNBO-KSSFIOAISA-N 2 2 345.491 2.265 10 0 EEAELP C[C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC[NH+]1C1CCCC1 ZINC001649343229 1353488553 /nfs/dbraw/zinc/48/85/53/1353488553.db2.gz IBULOYJEFHQNBO-KSSFIOAISA-N 2 2 345.491 2.265 10 0 EEAELP C[C@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC[NH+]1C1CCCC1 ZINC001649343229 1353488555 /nfs/dbraw/zinc/48/85/55/1353488555.db2.gz IBULOYJEFHQNBO-KSSFIOAISA-N 2 2 345.491 2.265 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)CCc1ccccc1Cl ZINC001660369378 1354451196 /nfs/dbraw/zinc/45/11/96/1354451196.db2.gz ZQZZECACOVXYDO-UHFFFAOYSA-N 2 2 348.878 2.297 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)CCc1ccccc1Cl ZINC001660369378 1354451201 /nfs/dbraw/zinc/45/12/01/1354451201.db2.gz ZQZZECACOVXYDO-UHFFFAOYSA-N 2 2 348.878 2.297 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1CC[NH+](CCCCCF)CC1 ZINC001660794788 1354539774 /nfs/dbraw/zinc/53/97/74/1354539774.db2.gz UYQCLIBTBXILOG-UHFFFAOYSA-N 2 2 338.471 2.415 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC1CCOCC1 ZINC001662282339 1354774414 /nfs/dbraw/zinc/77/44/14/1354774414.db2.gz FOVPBSHATYWFDW-OAHLLOKOSA-N 2 2 344.459 2.249 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H]1CCCOC1 ZINC001664513362 1355182952 /nfs/dbraw/zinc/18/29/52/1355182952.db2.gz HKJNAWXDVSKKJD-BRWVUGGUSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H]1CCCOC1 ZINC001664513362 1355182956 /nfs/dbraw/zinc/18/29/56/1355182956.db2.gz HKJNAWXDVSKKJD-BRWVUGGUSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H]1CCCOC1 ZINC001664513362 1355182966 /nfs/dbraw/zinc/18/29/66/1355182966.db2.gz HKJNAWXDVSKKJD-BRWVUGGUSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H]1CCCOC1 ZINC001664513362 1355182968 /nfs/dbraw/zinc/18/29/68/1355182968.db2.gz HKJNAWXDVSKKJD-BRWVUGGUSA-N 2 2 348.491 2.157 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]CC[C@H]1CCCCO1)C1CC1 ZINC001666037871 1355429883 /nfs/dbraw/zinc/42/98/83/1355429883.db2.gz NVLHBXGRGHMTTB-APWZRJJASA-N 2 2 348.491 2.094 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(Cl)s1)NC(=O)Cc1c[nH+]cn1C ZINC001668274259 1355913534 /nfs/dbraw/zinc/91/35/34/1355913534.db2.gz OZDZFCFRKARWSZ-LLVKDONJSA-N 2 2 340.880 2.362 10 0 EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC001668994941 1356062639 /nfs/dbraw/zinc/06/26/39/1356062639.db2.gz DLEBSOQNQUZZGW-FUTAKVPZSA-N 2 2 348.491 2.175 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC001668994941 1356062645 /nfs/dbraw/zinc/06/26/45/1356062645.db2.gz DLEBSOQNQUZZGW-FUTAKVPZSA-N 2 2 348.491 2.175 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C/CNC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001669118043 1356099494 /nfs/dbraw/zinc/09/94/94/1356099494.db2.gz FXRUYHLVVBGMNE-JFDDCEBESA-N 2 2 348.491 2.426 10 0 EEAELP CN(CCC[NH2+]Cc1sccc1Cl)C(=O)Cc1c[nH+]cn1C ZINC001670312414 1356317358 /nfs/dbraw/zinc/31/73/58/1356317358.db2.gz HTUXIRRLAKZJJZ-UHFFFAOYSA-N 2 2 340.880 2.316 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCCO1 ZINC001671390729 1356334298 /nfs/dbraw/zinc/33/42/98/1356334298.db2.gz SIZFKCVUNMBMJN-ZWKOTPCHSA-N 2 2 348.491 2.203 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001698798611 1405073859 /nfs/dbraw/zinc/07/38/59/1405073859.db2.gz YGLHBUPOCIJKRU-INIZCTEOSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001699317086 1405333203 /nfs/dbraw/zinc/33/32/03/1405333203.db2.gz WTMOHJTVYPMCBP-NHZBNJEXSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001699317086 1405333210 /nfs/dbraw/zinc/33/32/10/1405333210.db2.gz 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CCOC(=O)N(C)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000824694429 788276690 /nfs/dbraw/zinc/27/66/90/788276690.db2.gz OEWOAFZPCXDFAH-UHFFFAOYSA-N 2 2 343.431 2.320 10 0 EEAELP O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716703463 796443821 /nfs/dbraw/zinc/44/38/21/796443821.db2.gz CEQAKWVKRPYCCQ-ZSYWTGECSA-N 2 2 348.512 2.206 10 0 EEAELP O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703463 796443823 /nfs/dbraw/zinc/44/38/23/796443823.db2.gz CEQAKWVKRPYCCQ-ZSYWTGECSA-N 2 2 348.512 2.206 10 0 EEAELP O=c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc[nH]1 ZINC000922057045 798784945 /nfs/dbraw/zinc/78/49/45/798784945.db2.gz DWTCDPVGBHDURF-SFHVURJKSA-N 2 2 327.428 2.168 10 0 EEAELP O=c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc[nH]1 ZINC000922057045 798784950 /nfs/dbraw/zinc/78/49/50/798784950.db2.gz DWTCDPVGBHDURF-SFHVURJKSA-N 2 2 327.428 2.168 10 0 EEAELP C[C@H]1CC[N@H+](CC[C@H]2CCC[NH+]2C)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 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ZINC001480351511 1100121256 /nfs/dbraw/zinc/12/12/56/1100121256.db2.gz MFFBWULLSBHCQV-USXIJHARSA-N 2 2 346.475 2.053 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001480370937 1100149702 /nfs/dbraw/zinc/14/97/02/1100149702.db2.gz ZAJPQTNUXWQMHX-LBPRGKRZSA-N 2 2 331.247 2.173 10 0 EEAELP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@@H]1CCc2ccccc21 ZINC001480508150 1100333131 /nfs/dbraw/zinc/33/31/31/1100333131.db2.gz FEFFPVDOFSEKFZ-RHSMWYFYSA-N 2 2 326.444 2.135 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001480579696 1100425755 /nfs/dbraw/zinc/42/57/55/1100425755.db2.gz NXGFMAHEUAXLCW-WCQYABFASA-N 2 2 328.407 2.180 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCCc1ccsc1 ZINC001496355501 1100949748 /nfs/dbraw/zinc/94/97/48/1100949748.db2.gz GWACCSUULWGGKT-WMLDXEAASA-N 2 2 346.500 2.473 10 0 EEAELP Cc1ncccc1C[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001495438450 1101154522 /nfs/dbraw/zinc/15/45/22/1101154522.db2.gz XSOWWPZGMGHLNY-UHFFFAOYSA-N 2 2 341.459 2.005 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCC(F)(F)F ZINC001496575855 1101176228 /nfs/dbraw/zinc/17/62/28/1101176228.db2.gz SYDQSBNSWYWRBR-GXTWGEPZSA-N 2 2 346.397 2.128 10 0 EEAELP CO[C@@H](C[NH2+][C@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)CC1)C1CCC1 ZINC001495466620 1101178139 /nfs/dbraw/zinc/17/81/39/1101178139.db2.gz WAZOCYIQSSZWDB-BZSNNMDCSA-N 2 2 348.491 2.105 10 0 EEAELP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496786448 1101466220 /nfs/dbraw/zinc/46/62/20/1101466220.db2.gz RPZOMOGQSAJOBD-HZPDHXFCSA-N 2 2 332.492 2.350 10 0 EEAELP CN(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001496786448 1101466223 /nfs/dbraw/zinc/46/62/23/1101466223.db2.gz RPZOMOGQSAJOBD-HZPDHXFCSA-N 2 2 332.492 2.350 10 0 EEAELP CN(CC[N@H+](C)[C@@H]1CCc2c1cc(F)cc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001496793412 1101476894 /nfs/dbraw/zinc/47/68/94/1101476894.db2.gz XTRXWYWDUOBLNB-QGZVFWFLSA-N 2 2 348.397 2.308 10 0 EEAELP 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/nfs/dbraw/zinc/75/27/75/1102752775.db2.gz JLHOTDJFVCDXJJ-YVACAVLKSA-N 2 2 334.464 2.044 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001497617332 1102757184 /nfs/dbraw/zinc/75/71/84/1102757184.db2.gz UMDASJARUKVBRV-BGYNLAARSA-N 2 2 338.455 2.469 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001497765645 1103066378 /nfs/dbraw/zinc/06/63/78/1103066378.db2.gz SOWMXWMWPIKIPO-LKGOPFMKSA-N 2 2 342.443 2.048 10 0 EEAELP CC[C@@H](F)C[NH2+]CC1CC(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001447790471 1103349686 /nfs/dbraw/zinc/34/96/86/1103349686.db2.gz AILHVZOGIHFHOL-OGVSOVDVSA-N 2 2 332.423 2.489 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001447924803 1103610834 /nfs/dbraw/zinc/61/08/34/1103610834.db2.gz PGUWNPKURJPUQA-HUUCEWRRSA-N 2 2 346.450 2.483 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1cccc(Cl)c1 ZINC001447936613 1103641195 /nfs/dbraw/zinc/64/11/95/1103641195.db2.gz UDUHJLHZKKOYGI-QWHCGFSZSA-N 2 2 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ZINC001480703707 1106920152 /nfs/dbraw/zinc/92/01/52/1106920152.db2.gz UQIHDTLOYPAOMM-HUUCEWRRSA-N 2 2 330.432 2.001 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)ns1 ZINC001480773455 1107091048 /nfs/dbraw/zinc/09/10/48/1107091048.db2.gz IDQPTMVMZHZHIJ-GFCCVEGCSA-N 2 2 348.472 2.082 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)CC1CC2(CCC2)C1 ZINC001493051816 1107401813 /nfs/dbraw/zinc/40/18/13/1107401813.db2.gz YWIYJZQTINUNAN-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)CC1CC2(CCC2)C1 ZINC001493051816 1107401824 /nfs/dbraw/zinc/40/18/24/1107401824.db2.gz YWIYJZQTINUNAN-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001493207895 1107685565 /nfs/dbraw/zinc/68/55/65/1107685565.db2.gz WOLYLTIESLLZHC-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001493207895 1107685570 /nfs/dbraw/zinc/68/55/70/1107685570.db2.gz WOLYLTIESLLZHC-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001493207895 1107685573 /nfs/dbraw/zinc/68/55/73/1107685573.db2.gz WOLYLTIESLLZHC-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001493207895 1107685578 /nfs/dbraw/zinc/68/55/78/1107685578.db2.gz WOLYLTIESLLZHC-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1ccccc1F ZINC001498624572 1107833400 /nfs/dbraw/zinc/83/34/00/1107833400.db2.gz DMMQANXISMHEFV-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1ccccc1F ZINC001498624572 1107833405 /nfs/dbraw/zinc/83/34/05/1107833405.db2.gz DMMQANXISMHEFV-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001493605265 1108392138 /nfs/dbraw/zinc/39/21/38/1108392138.db2.gz WXVAOHGBWBELBC-HNNXBMFYSA-N 2 2 344.434 2.141 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccn1 ZINC001498978973 1108406970 /nfs/dbraw/zinc/40/69/70/1108406970.db2.gz LTLNABXLKKLEIK-WBVHZDCISA-N 2 2 341.459 2.182 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccn1 ZINC001498978973 1108406974 /nfs/dbraw/zinc/40/69/74/1108406974.db2.gz LTLNABXLKKLEIK-WBVHZDCISA-N 2 2 341.459 2.182 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001499050422 1108507264 /nfs/dbraw/zinc/50/72/64/1108507264.db2.gz ODECKHDUELMGIJ-OCCSQVGLSA-N 2 2 325.403 2.168 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001499050422 1108507276 /nfs/dbraw/zinc/50/72/76/1108507276.db2.gz ODECKHDUELMGIJ-OCCSQVGLSA-N 2 2 325.403 2.168 10 0 EEAELP C[C@H](c1cccc(NC(=O)CC[N@@H+]2CC[C@H](F)C2)c1)[NH+]1CCOCC1 ZINC001464998581 1110409096 /nfs/dbraw/zinc/40/90/96/1110409096.db2.gz YLGXOIAGXFCHSI-WBVHZDCISA-N 2 2 349.450 2.452 10 0 EEAELP C[C@H](c1cccc(NC(=O)CC[N@H+]2CC[C@H](F)C2)c1)[NH+]1CCOCC1 ZINC001464998581 1110409097 /nfs/dbraw/zinc/40/90/97/1110409097.db2.gz YLGXOIAGXFCHSI-WBVHZDCISA-N 2 2 349.450 2.452 10 0 EEAELP CCc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001479276150 1110674745 /nfs/dbraw/zinc/67/47/45/1110674745.db2.gz VAUROVOFDIDSLH-SFHVURJKSA-N 2 2 326.444 2.178 10 0 EEAELP CCc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001479276150 1110674747 /nfs/dbraw/zinc/67/47/47/1110674747.db2.gz VAUROVOFDIDSLH-SFHVURJKSA-N 2 2 326.444 2.178 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CCCC1 ZINC001500089077 1112612833 /nfs/dbraw/zinc/61/28/33/1112612833.db2.gz RWXQURDYIWMFLJ-ZWKOTPCHSA-N 2 2 347.507 2.463 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CCCC1 ZINC001500089077 1112612835 /nfs/dbraw/zinc/61/28/35/1112612835.db2.gz RWXQURDYIWMFLJ-ZWKOTPCHSA-N 2 2 347.507 2.463 10 0 EEAELP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001500096670 1112614886 /nfs/dbraw/zinc/61/48/86/1112614886.db2.gz IPTJKIQBJRMAHR-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)o1 ZINC001502401580 1113667663 /nfs/dbraw/zinc/66/76/63/1113667663.db2.gz OWXLTCVLIUBBAD-GJZGRUSLSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)o1 ZINC001502401580 1113667672 /nfs/dbraw/zinc/66/76/72/1113667672.db2.gz OWXLTCVLIUBBAD-GJZGRUSLSA-N 2 2 336.480 2.136 10 0 EEAELP CCc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001505631474 1114096685 /nfs/dbraw/zinc/09/66/85/1114096685.db2.gz CZJUTNYGPWTNQP-NEPJUHHUSA-N 2 2 341.415 2.410 10 0 EEAELP C[C@@H]([NH2+]Cc1nccs1)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001505765686 1114178526 /nfs/dbraw/zinc/17/85/26/1114178526.db2.gz WGDRJNUIRPXJRX-CABCVRRESA-N 2 2 346.500 2.258 10 0 EEAELP C[C@@H]([NH2+]Cc1nccs1)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001505765686 1114178529 /nfs/dbraw/zinc/17/85/29/1114178529.db2.gz WGDRJNUIRPXJRX-CABCVRRESA-N 2 2 346.500 2.258 10 0 EEAELP Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001505947741 1114295091 /nfs/dbraw/zinc/29/50/91/1114295091.db2.gz AKMGGMVVRAJGOX-DLBZAZTESA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001505947741 1114295093 /nfs/dbraw/zinc/29/50/93/1114295093.db2.gz AKMGGMVVRAJGOX-DLBZAZTESA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1cccc(Cl)n1 ZINC001506069297 1114392970 /nfs/dbraw/zinc/39/29/70/1114392970.db2.gz LKFFVUALYXVWDB-CQSZACIVSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1cccc(Cl)n1 ZINC001506069297 1114392971 /nfs/dbraw/zinc/39/29/71/1114392971.db2.gz LKFFVUALYXVWDB-CQSZACIVSA-N 2 2 349.866 2.348 10 0 EEAELP CCCCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001506842898 1114906682 /nfs/dbraw/zinc/90/66/82/1114906682.db2.gz XURJAXOZIWMJBF-RDJZCZTQSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001568063943 1124268704 /nfs/dbraw/zinc/26/87/04/1124268704.db2.gz UDSYCJYWINDBNP-HOTGVXAUSA-N 2 2 338.471 2.319 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001568106079 1124305763 /nfs/dbraw/zinc/30/57/63/1124305763.db2.gz JVNLPVIOZDMENP-QBPKDAKJSA-N 2 2 348.491 2.345 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001568106079 1124305770 /nfs/dbraw/zinc/30/57/70/1124305770.db2.gz JVNLPVIOZDMENP-QBPKDAKJSA-N 2 2 348.491 2.345 10 0 EEAELP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001568145138 1124325408 /nfs/dbraw/zinc/32/54/08/1124325408.db2.gz UHBMTAHZJLFMNQ-MSOLQXFVSA-N 2 2 337.508 2.011 10 0 EEAELP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001568145138 1124325417 /nfs/dbraw/zinc/32/54/17/1124325417.db2.gz UHBMTAHZJLFMNQ-MSOLQXFVSA-N 2 2 337.508 2.011 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)cs1 ZINC001568400344 1124469882 /nfs/dbraw/zinc/46/98/82/1124469882.db2.gz IGFSEWFAUUOAQW-INIZCTEOSA-N 2 2 347.488 2.209 10 0 EEAELP CO[C@@H](C)C[NH2+]CC[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001568662115 1124676270 /nfs/dbraw/zinc/67/62/70/1124676270.db2.gz GYDNIRSBKVQIET-CABCVRRESA-N 2 2 330.432 2.005 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001568870294 1124897979 /nfs/dbraw/zinc/89/79/79/1124897979.db2.gz AOKMONHYASZVJX-ARJAWSKDSA-N 2 2 339.399 2.244 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1cc(F)ccc1F ZINC001568973016 1125012486 /nfs/dbraw/zinc/01/24/86/1125012486.db2.gz FKLKILGOEPBSPD-ZRMMWKCHSA-N 2 2 334.370 2.185 10 0 EEAELP CCc1ccccc1C[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001569258330 1125200972 /nfs/dbraw/zinc/20/09/72/1125200972.db2.gz UOSRBTFKSFYHBF-UHFFFAOYSA-N 2 2 328.460 2.163 10 0 EEAELP c1csc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000422827808 240247784 /nfs/dbraw/zinc/24/77/84/240247784.db2.gz NLJFEJFTOWBTNH-RTBURBONSA-N 3 2 349.544 2.317 10 0 EEAELP c1csc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000422827806 240248267 /nfs/dbraw/zinc/24/82/67/240248267.db2.gz NLJFEJFTOWBTNH-OALUTQOASA-N 3 2 349.544 2.317 10 0 EEAELP FC(F)(F)COc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422726978 240195611 /nfs/dbraw/zinc/19/56/11/240195611.db2.gz BBHSRALZKXUPBQ-HOTGVXAUSA-N 2 2 344.377 2.484 10 0 EEAELP COc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)cc1OC(F)F ZINC000422814005 240241306 /nfs/dbraw/zinc/24/13/06/240241306.db2.gz SWFDSGKCTNQDAM-YPMHNXCESA-N 2 2 330.375 2.153 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c(OC[C@@H]2CCOC2)c1 ZINC000422867437 240265995 /nfs/dbraw/zinc/26/59/95/240265995.db2.gz SFJJUQCNMDDJHT-ZHALLVOQSA-N 2 2 348.487 2.267 10 0 EEAELP CCOC(=O)C1([C@H](C)[NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)CC[NH2+]CC1 ZINC000422885251 240274336 /nfs/dbraw/zinc/27/43/36/240274336.db2.gz GPBSRRLWHCKJKT-ZACQAIPSSA-N 3 2 339.524 2.160 10 0 EEAELP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422889874 240275969 /nfs/dbraw/zinc/27/59/69/240275969.db2.gz HDGLIQPHTVTUGS-GDIGMMSISA-N 2 2 345.487 2.072 10 0 EEAELP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422916054 240289426 /nfs/dbraw/zinc/28/94/26/240289426.db2.gz ZQOXAMKTYHDVIN-VQTJNVASSA-N 3 2 331.504 2.383 10 0 EEAELP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422916054 240289433 /nfs/dbraw/zinc/28/94/33/240289433.db2.gz ZQOXAMKTYHDVIN-VQTJNVASSA-N 3 2 331.504 2.383 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCc2nnc(C)s2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423128372 240375829 /nfs/dbraw/zinc/37/58/29/240375829.db2.gz VVCNDUAZKJAVLO-DOTOQJQBSA-N 2 2 332.473 2.481 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000247193445 243389837 /nfs/dbraw/zinc/38/98/37/243389837.db2.gz WRKVFHRHQXDMBV-RBUKOAKNSA-N 2 2 329.444 2.234 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000247193445 243389846 /nfs/dbraw/zinc/38/98/46/243389846.db2.gz WRKVFHRHQXDMBV-RBUKOAKNSA-N 2 2 329.444 2.234 10 0 EEAELP CCCN(CC[NH+]1CCCCCC1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459155887 245014837 /nfs/dbraw/zinc/01/48/37/245014837.db2.gz VPSDPXXBLIMWRC-UHFFFAOYSA-N 2 2 335.496 2.260 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OCC(=O)N(C)C)CC[N@@H+]1C ZINC000093644517 218238932 /nfs/dbraw/zinc/23/89/32/218238932.db2.gz BDIIJXAXOSBGRX-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccccc2OCC(=O)N(C)C)CC[N@H+]1C ZINC000093644517 218238935 /nfs/dbraw/zinc/23/89/35/218238935.db2.gz BDIIJXAXOSBGRX-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)CC[NH+]1C ZINC000093644517 218238937 /nfs/dbraw/zinc/23/89/37/218238937.db2.gz BDIIJXAXOSBGRX-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCC(=O)N(C)C)CC[NH+]1C ZINC000093644517 218238939 /nfs/dbraw/zinc/23/89/39/218238939.db2.gz BDIIJXAXOSBGRX-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COC(=O)CC1([NH2+]Cc2cnc3ccsc3c2)CC[NH+](C)CC1 ZINC000095437410 218380137 /nfs/dbraw/zinc/38/01/37/218380137.db2.gz ZURYLUFPBOLDSN-UHFFFAOYSA-N 2 2 333.457 2.413 10 0 EEAELP CCc1nn(C)c(Cl)c1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000116871490 221001351 /nfs/dbraw/zinc/00/13/51/221001351.db2.gz ZKGSTJYXWHDFCF-UHFFFAOYSA-N 2 2 348.882 2.365 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCOCC(F)(F)F)C1 ZINC000195276398 256008058 /nfs/dbraw/zinc/00/80/58/256008058.db2.gz OZKPZKVZLSFNQN-OAHLLOKOSA-N 2 2 331.382 2.414 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCOCC(F)(F)F)C1 ZINC000195276398 256008060 /nfs/dbraw/zinc/00/80/60/256008060.db2.gz OZKPZKVZLSFNQN-OAHLLOKOSA-N 2 2 331.382 2.414 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000195276398 256008062 /nfs/dbraw/zinc/00/80/62/256008062.db2.gz OZKPZKVZLSFNQN-OAHLLOKOSA-N 2 2 331.382 2.414 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000273247950 256280023 /nfs/dbraw/zinc/28/00/23/256280023.db2.gz RGCOVYBEDPEZFZ-UHFFFAOYSA-N 2 2 345.487 2.498 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000273622160 256312750 /nfs/dbraw/zinc/31/27/50/256312750.db2.gz QTIDWOFSLMNRTB-UHFFFAOYSA-N 2 2 341.337 2.179 10 0 EEAELP c1cn(-c2ccc(C[NH2+][C@H]3CCCN(c4ncccn4)C3)cc2)c[nH+]1 ZINC000042952716 132413550 /nfs/dbraw/zinc/41/35/50/132413550.db2.gz KXIKTFNYVCPPQU-KRWDZBQOSA-N 2 2 334.427 2.421 10 0 EEAELP CCC(C)(C)NC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969076 292201788 /nfs/dbraw/zinc/20/17/88/292201788.db2.gz BSNGSCMNQWXUIX-UHFFFAOYSA-N 2 2 346.519 2.325 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)Cc1cc(OC)ccc1Br ZINC000629570752 485734848 /nfs/dbraw/zinc/73/48/48/485734848.db2.gz CKDXIEZQURDYND-UHFFFAOYSA-N 2 2 331.254 2.126 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)Cc1cc(OC)ccc1Br ZINC000629570752 485734860 /nfs/dbraw/zinc/73/48/60/485734860.db2.gz CKDXIEZQURDYND-UHFFFAOYSA-N 2 2 331.254 2.126 10 0 EEAELP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000262546765 152289997 /nfs/dbraw/zinc/28/99/97/152289997.db2.gz RVOFLIUBUCKVBP-OIISXLGYSA-N 2 2 333.501 2.313 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000357758366 153327822 /nfs/dbraw/zinc/32/78/22/153327822.db2.gz KHNCRLDFGPPACJ-UHOSZYNNSA-N 2 2 343.471 2.378 10 0 EEAELP C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374205782 154004004 /nfs/dbraw/zinc/00/40/04/154004004.db2.gz AHWUCTGSOSQMQC-MAUKXSAKSA-N 2 2 348.491 2.301 10 0 EEAELP COCCN(C)c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cn1 ZINC000377207837 154086320 /nfs/dbraw/zinc/08/63/20/154086320.db2.gz OHSIRSMNXDOOGJ-UHFFFAOYSA-N 2 2 329.448 2.267 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H](C)C1 ZINC000248861238 160365121 /nfs/dbraw/zinc/36/51/21/160365121.db2.gz AMBJWHLCWPJZDT-RDJZCZTQSA-N 2 2 337.512 2.260 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@@H](C)C1 ZINC000248861238 160365122 /nfs/dbraw/zinc/36/51/22/160365122.db2.gz AMBJWHLCWPJZDT-RDJZCZTQSA-N 2 2 337.512 2.260 10 0 EEAELP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000130375582 292372661 /nfs/dbraw/zinc/37/26/61/292372661.db2.gz XIFQDWDFXXBCSS-OWCLPIDISA-N 2 2 341.496 2.085 10 0 EEAELP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H](C)O1 ZINC000130375582 292372663 /nfs/dbraw/zinc/37/26/63/292372663.db2.gz XIFQDWDFXXBCSS-OWCLPIDISA-N 2 2 341.496 2.085 10 0 EEAELP COc1ccc2oc(C[NH+]3CCN(Cc4[nH+]ccn4C)CC3)cc2c1 ZINC000093132040 159229825 /nfs/dbraw/zinc/22/98/25/159229825.db2.gz WKDKPJYLTAGZJW-UHFFFAOYSA-N 2 2 340.427 2.493 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000093147115 159231358 /nfs/dbraw/zinc/23/13/58/159231358.db2.gz DGECWESJJUAPQU-QGZVFWFLSA-N 2 2 331.460 2.017 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000093147115 159231361 /nfs/dbraw/zinc/23/13/61/159231361.db2.gz DGECWESJJUAPQU-QGZVFWFLSA-N 2 2 331.460 2.017 10 0 EEAELP C[C@@H]1CCC[N@H+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000105787777 159304960 /nfs/dbraw/zinc/30/49/60/159304960.db2.gz GQNRJQWYTSSGJM-IAGOWNOFSA-N 2 2 347.507 2.362 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCCCNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)C1 ZINC000105787777 159304961 /nfs/dbraw/zinc/30/49/61/159304961.db2.gz GQNRJQWYTSSGJM-IAGOWNOFSA-N 2 2 347.507 2.362 10 0 EEAELP C[C@@H]1CCC[N@H+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000105787777 159304963 /nfs/dbraw/zinc/30/49/63/159304963.db2.gz GQNRJQWYTSSGJM-IAGOWNOFSA-N 2 2 347.507 2.362 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCCCNc2cc(N3CCC[C@@H]3CO)nc[nH+]2)C1 ZINC000105787777 159304964 /nfs/dbraw/zinc/30/49/64/159304964.db2.gz GQNRJQWYTSSGJM-IAGOWNOFSA-N 2 2 347.507 2.362 10 0 EEAELP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186530217 160073758 /nfs/dbraw/zinc/07/37/58/160073758.db2.gz JELWZYJYGPTCNO-QGZVFWFLSA-N 2 2 345.491 2.035 10 0 EEAELP CCC[N@H+]1CC[C@H](CNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186530217 160073761 /nfs/dbraw/zinc/07/37/61/160073761.db2.gz JELWZYJYGPTCNO-QGZVFWFLSA-N 2 2 345.491 2.035 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC000190484777 160161279 /nfs/dbraw/zinc/16/12/79/160161279.db2.gz IBVOGGXXGZFPLY-SFHVURJKSA-N 2 2 338.455 2.134 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC000190484777 160161281 /nfs/dbraw/zinc/16/12/81/160161281.db2.gz IBVOGGXXGZFPLY-SFHVURJKSA-N 2 2 338.455 2.134 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000190484777 160161283 /nfs/dbraw/zinc/16/12/83/160161283.db2.gz IBVOGGXXGZFPLY-SFHVURJKSA-N 2 2 338.455 2.134 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000190484777 160161285 /nfs/dbraw/zinc/16/12/85/160161285.db2.gz IBVOGGXXGZFPLY-SFHVURJKSA-N 2 2 338.455 2.134 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2nc(N(C)C)no2)cc1 ZINC000192785540 160173857 /nfs/dbraw/zinc/17/38/57/160173857.db2.gz UTMVCXHACZFLBD-LBPRGKRZSA-N 2 2 326.404 2.481 10 0 EEAELP COc1ccc([C@@H](NC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C(C)C)cc1 ZINC000193610928 160183761 /nfs/dbraw/zinc/18/37/61/160183761.db2.gz WYGSYPRXCKRQKK-QKLQHJQFSA-N 2 2 345.487 2.002 10 0 EEAELP COc1ccc([C@@H](NC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C(C)C)cc1 ZINC000193610928 160183763 /nfs/dbraw/zinc/18/37/63/160183763.db2.gz WYGSYPRXCKRQKK-QKLQHJQFSA-N 2 2 345.487 2.002 10 0 EEAELP COc1ccc([C@@H](NC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C(C)C)cc1 ZINC000193610928 160183765 /nfs/dbraw/zinc/18/37/65/160183765.db2.gz WYGSYPRXCKRQKK-QKLQHJQFSA-N 2 2 345.487 2.002 10 0 EEAELP COc1ccc([C@@H](NC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C(C)C)cc1 ZINC000193610928 160183767 /nfs/dbraw/zinc/18/37/67/160183767.db2.gz WYGSYPRXCKRQKK-QKLQHJQFSA-N 2 2 345.487 2.002 10 0 EEAELP CCOC(=O)C[NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000194450642 160194558 /nfs/dbraw/zinc/19/45/58/160194558.db2.gz MURGKAXSDCCAHU-UHFFFAOYSA-N 2 2 325.478 2.070 10 0 EEAELP CCO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000246707281 160290258 /nfs/dbraw/zinc/29/02/58/160290258.db2.gz GONLUSNEGUIXHV-KGLIPLIRSA-N 2 2 331.420 2.496 10 0 EEAELP CCO[C@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)n1 ZINC000246707281 160290259 /nfs/dbraw/zinc/29/02/59/160290259.db2.gz GONLUSNEGUIXHV-KGLIPLIRSA-N 2 2 331.420 2.496 10 0 EEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246823323 160296365 /nfs/dbraw/zinc/29/63/65/160296365.db2.gz BHEDWXDDDHNZGI-CJNGLKHVSA-N 2 2 325.478 2.193 10 0 EEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246823323 160296367 /nfs/dbraw/zinc/29/63/67/160296367.db2.gz BHEDWXDDDHNZGI-CJNGLKHVSA-N 2 2 325.478 2.193 10 0 EEAELP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CC=CCC1 ZINC000344107900 161199018 /nfs/dbraw/zinc/19/90/18/161199018.db2.gz ZQOIXZBAQAHSID-SFHVURJKSA-N 2 2 342.487 2.408 10 0 EEAELP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@H]1CC=CCC1 ZINC000344107900 161199019 /nfs/dbraw/zinc/19/90/19/161199019.db2.gz ZQOIXZBAQAHSID-SFHVURJKSA-N 2 2 342.487 2.408 10 0 EEAELP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000344359143 161220242 /nfs/dbraw/zinc/22/02/42/161220242.db2.gz FGCKNHKVXPKJQN-CRAIPNDOSA-N 2 2 326.444 2.466 10 0 EEAELP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000344359143 161220243 /nfs/dbraw/zinc/22/02/43/161220243.db2.gz FGCKNHKVXPKJQN-CRAIPNDOSA-N 2 2 326.444 2.466 10 0 EEAELP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2=O)s1 ZINC000352752284 162273042 /nfs/dbraw/zinc/27/30/42/162273042.db2.gz XQHZDDNCQNJZAB-MRXNPFEDSA-N 2 2 344.484 2.490 10 0 EEAELP O=C([C@@H]1CC12CC[NH+](CCCn1cc[nH+]c1)CC2)N1CCCCC1 ZINC000367762540 166001826 /nfs/dbraw/zinc/00/18/26/166001826.db2.gz DCINRXIZPZVBKK-KRWDZBQOSA-N 2 2 330.476 2.388 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)C2 ZINC000356151833 163351284 /nfs/dbraw/zinc/35/12/84/163351284.db2.gz XWGCIZRGEYDFDX-ZIAGYGMSSA-N 2 2 329.448 2.287 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000356151833 163351286 /nfs/dbraw/zinc/35/12/86/163351286.db2.gz XWGCIZRGEYDFDX-ZIAGYGMSSA-N 2 2 329.448 2.287 10 0 EEAELP Cc1nn(C)c(C)c1CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000359672297 164150419 /nfs/dbraw/zinc/15/04/19/164150419.db2.gz CAOOJWHTBUDZGI-UHFFFAOYSA-N 2 2 327.476 2.229 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1S(C)(=O)=O ZINC000368101441 166050967 /nfs/dbraw/zinc/05/09/67/166050967.db2.gz KHXIUHFKPHOXAS-AAEUAGOBSA-N 2 2 349.456 2.030 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1S(C)(=O)=O ZINC000368101441 166050968 /nfs/dbraw/zinc/05/09/68/166050968.db2.gz KHXIUHFKPHOXAS-AAEUAGOBSA-N 2 2 349.456 2.030 10 0 EEAELP Cn1c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nnc1C1CCC1 ZINC000364652744 165223081 /nfs/dbraw/zinc/22/30/81/165223081.db2.gz CFJZXVAFOVDDGL-UHFFFAOYSA-N 2 2 347.507 2.017 10 0 EEAELP Cc1noc(C)c1C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279676101 269299361 /nfs/dbraw/zinc/29/93/61/269299361.db2.gz GBYUNJQTJXYYAD-GJZGRUSLSA-N 2 2 335.427 2.069 10 0 EEAELP Cc1noc(C)c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000279676101 269299363 /nfs/dbraw/zinc/29/93/63/269299363.db2.gz GBYUNJQTJXYYAD-GJZGRUSLSA-N 2 2 335.427 2.069 10 0 EEAELP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@]2(CCOC2)O1 ZINC000280196466 269337669 /nfs/dbraw/zinc/33/76/69/269337669.db2.gz HQMFCQCWMRHEFD-SFHVURJKSA-N 2 2 328.416 2.037 10 0 EEAELP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@]2(CCOC2)O1 ZINC000280196466 269337670 /nfs/dbraw/zinc/33/76/70/269337670.db2.gz HQMFCQCWMRHEFD-SFHVURJKSA-N 2 2 328.416 2.037 10 0 EEAELP COC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1 ZINC000271830580 274155941 /nfs/dbraw/zinc/15/59/41/274155941.db2.gz QQOILSWBFUWMIS-GOSISDBHSA-N 2 2 334.460 2.381 10 0 EEAELP C[NH2+]C(C)(C)CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000272056997 274164424 /nfs/dbraw/zinc/16/44/24/274164424.db2.gz RLNLKZDGJDNLJP-CQSZACIVSA-N 2 2 334.464 2.199 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000289606192 275131994 /nfs/dbraw/zinc/13/19/94/275131994.db2.gz YCVHVZYIRVEFCL-SFHVURJKSA-N 2 2 345.422 2.096 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCc2cccnc2-n2cc[nH+]c2)C1 ZINC000289606192 275131996 /nfs/dbraw/zinc/13/19/96/275131996.db2.gz YCVHVZYIRVEFCL-SFHVURJKSA-N 2 2 345.422 2.096 10 0 EEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@H]1CC13CC[NH2+]CC3)C2 ZINC000261996413 275537441 /nfs/dbraw/zinc/53/74/41/275537441.db2.gz ZGGPQVIPSBMICR-UONOGXRCSA-N 2 2 330.476 2.001 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420354667 276374727 /nfs/dbraw/zinc/37/47/27/276374727.db2.gz BYTRBHHALNNCFW-HNAYVOBHSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420354667 276374729 /nfs/dbraw/zinc/37/47/29/276374729.db2.gz BYTRBHHALNNCFW-HNAYVOBHSA-N 2 2 331.460 2.488 10 0 EEAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427696129 277102852 /nfs/dbraw/zinc/10/28/52/277102852.db2.gz INBGSWMDMGKORQ-CZUORRHYSA-N 2 2 342.409 2.313 10 0 EEAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427696129 277102854 /nfs/dbraw/zinc/10/28/54/277102854.db2.gz INBGSWMDMGKORQ-CZUORRHYSA-N 2 2 342.409 2.313 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422771418 280531854 /nfs/dbraw/zinc/53/18/54/280531854.db2.gz YDDRQCMKENYJDP-DFQSSKMNSA-N 2 2 347.478 2.460 10 0 EEAELP C[C@@H](O)[C@@H]1CCN(c2cc(N[C@H](C)C[NH+]3CCCCCC3)nc[nH+]2)C1 ZINC000334024456 312229620 /nfs/dbraw/zinc/22/96/20/312229620.db2.gz GFUDKLKTAMVGJQ-BRWVUGGUSA-N 2 2 347.507 2.360 10 0 EEAELP c1[nH+]c2c(n1Cc1nc(Cc3cn4ccccc4[nH+]3)no1)CCCC2 ZINC000349934575 312311188 /nfs/dbraw/zinc/31/11/88/312311188.db2.gz UWCFLJDAYUFDBG-UHFFFAOYSA-N 2 2 334.383 2.432 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccn1C ZINC000414526024 313037108 /nfs/dbraw/zinc/03/71/08/313037108.db2.gz JQUOHVQBZREXKQ-QZTJIDSGSA-N 2 2 328.460 2.047 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1nccn1C ZINC000414526024 313037109 /nfs/dbraw/zinc/03/71/09/313037109.db2.gz JQUOHVQBZREXKQ-QZTJIDSGSA-N 2 2 328.460 2.047 10 0 EEAELP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000414700047 313066481 /nfs/dbraw/zinc/06/64/81/313066481.db2.gz ZCRCSIPPHMQZGV-SFHVURJKSA-N 2 2 335.467 2.276 10 0 EEAELP CC(C)C[C@H]([NH3+])C[N@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000414700047 313066484 /nfs/dbraw/zinc/06/64/84/313066484.db2.gz ZCRCSIPPHMQZGV-SFHVURJKSA-N 2 2 335.467 2.276 10 0 EEAELP CC(C)C[C@H]([NH3+])C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000414740292 313073972 /nfs/dbraw/zinc/07/39/72/313073972.db2.gz JVDSRGXHNWCHCB-IBGZPJMESA-N 4 2 338.584 2.488 10 0 EEAELP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000414740292 313073975 /nfs/dbraw/zinc/07/39/75/313073975.db2.gz JVDSRGXHNWCHCB-IBGZPJMESA-N 4 2 338.584 2.488 10 0 EEAELP CC[N@H+](CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000416866092 313340401 /nfs/dbraw/zinc/34/04/01/313340401.db2.gz ALUUGKQGFCLVHQ-OAHLLOKOSA-N 2 2 340.418 2.199 10 0 EEAELP CN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416935334 313365146 /nfs/dbraw/zinc/36/51/46/313365146.db2.gz GFTSUBQJGBUKTN-NNQSOWQGSA-N 2 2 347.850 2.412 10 0 EEAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000418566984 313848812 /nfs/dbraw/zinc/84/88/12/313848812.db2.gz GHGFGSYHNYQXSA-DOTOQJQBSA-N 2 2 341.459 2.071 10 0 EEAELP CCc1cc(N2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc[nH+]1 ZINC000450317249 315442083 /nfs/dbraw/zinc/44/20/83/315442083.db2.gz SFVYOJBXUXVHEV-OAHLLOKOSA-N 2 2 330.476 2.213 10 0 EEAELP C(C[NH+]1CCOCC1)C1CC[NH+](Cc2nnc(C3CC3)s2)CC1 ZINC000450317943 315443016 /nfs/dbraw/zinc/44/30/16/315443016.db2.gz LXMAMYMEABMTNT-UHFFFAOYSA-N 2 2 336.505 2.350 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C2 ZINC000526007149 317104344 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/nfs/dbraw/zinc/13/75/48/317137548.db2.gz JCBHJOAKRFFNRU-CABCVRRESA-N 2 2 330.476 2.335 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000538653811 318039485 /nfs/dbraw/zinc/03/94/85/318039485.db2.gz UTIPNCFMKPEVIX-UHFFFAOYSA-N 2 2 339.443 2.074 10 0 EEAELP CC[N@@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000545241162 318210204 /nfs/dbraw/zinc/21/02/04/318210204.db2.gz WBIZGMDYBGCDJO-HNNXBMFYSA-N 2 2 341.459 2.431 10 0 EEAELP CC[N@H+]1CCCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000545241162 318210205 /nfs/dbraw/zinc/21/02/05/318210205.db2.gz WBIZGMDYBGCDJO-HNNXBMFYSA-N 2 2 341.459 2.431 10 0 EEAELP Cc1ccc2[nH+]ccc(N[C@H]3CCCN(Cc4[nH+]ccn4C)C3=O)c2c1 ZINC000545473672 318221910 /nfs/dbraw/zinc/22/19/10/318221910.db2.gz ZMIVEDOHGVXAGY-SFHVURJKSA-N 2 2 349.438 2.302 10 0 EEAELP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000563955530 319059153 /nfs/dbraw/zinc/05/91/53/319059153.db2.gz KDJBAACUUYZUGT-OCCSQVGLSA-N 2 2 337.414 2.186 10 0 EEAELP C[C@@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000563955530 319059154 /nfs/dbraw/zinc/05/91/54/319059154.db2.gz KDJBAACUUYZUGT-OCCSQVGLSA-N 2 2 337.414 2.186 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000566896714 319329742 /nfs/dbraw/zinc/32/97/42/319329742.db2.gz FRNSUQLRLDUZQW-QIIPPGSGSA-N 2 2 339.443 2.040 10 0 EEAELP COCC[NH2+]C1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000566919703 319333205 /nfs/dbraw/zinc/33/32/05/319333205.db2.gz UVSDQYAXBGKAJZ-UHFFFAOYSA-N 2 2 347.503 2.124 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000567123917 319351000 /nfs/dbraw/zinc/35/10/00/319351000.db2.gz VMEHTSJJDYOMPF-ICXUMSERSA-N 2 2 333.451 2.076 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000567123917 319351001 /nfs/dbraw/zinc/35/10/01/319351001.db2.gz VMEHTSJJDYOMPF-ICXUMSERSA-N 2 2 333.451 2.076 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569794736 319608333 /nfs/dbraw/zinc/60/83/33/319608333.db2.gz DBDUXVGIDXGYMC-VYDXJSESSA-N 2 2 345.491 2.106 10 0 EEAELP COCC[NH2+]C1CCN(Cc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000576521210 320179614 /nfs/dbraw/zinc/17/96/14/320179614.db2.gz MNVUJHKFDBCFGG-UHFFFAOYSA-N 2 2 328.460 2.132 10 0 EEAELP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000578374654 320310772 /nfs/dbraw/zinc/31/07/72/320310772.db2.gz GFLIUYJAASLQDP-CVEARBPZSA-N 2 2 339.911 2.331 10 0 EEAELP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000578374654 320310773 /nfs/dbraw/zinc/31/07/73/320310773.db2.gz GFLIUYJAASLQDP-CVEARBPZSA-N 2 2 339.911 2.331 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000579540990 323871395 /nfs/dbraw/zinc/87/13/95/323871395.db2.gz ZCAXVTCAPBSRIP-INIZCTEOSA-N 2 2 332.835 2.490 10 0 EEAELP C[C@@H]1C[N@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@@H](C)CO1 ZINC000624392682 450829174 /nfs/dbraw/zinc/82/91/74/450829174.db2.gz XCUHYDHBFQIBHQ-UONOGXRCSA-N 2 2 325.416 2.404 10 0 EEAELP C[C@@H]1C[N@@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@@H](C)CO1 ZINC000624392682 450829177 /nfs/dbraw/zinc/82/91/77/450829177.db2.gz XCUHYDHBFQIBHQ-UONOGXRCSA-N 2 2 325.416 2.404 10 0 EEAELP C[C@@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000049157609 462956869 /nfs/dbraw/zinc/95/68/69/462956869.db2.gz VRMBSPAHZKXZLZ-GJZGRUSLSA-N 2 2 333.480 2.210 10 0 EEAELP C[C@@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@H+]1CCCC[C@@H]1C ZINC000049157609 462956874 /nfs/dbraw/zinc/95/68/74/462956874.db2.gz VRMBSPAHZKXZLZ-GJZGRUSLSA-N 2 2 333.480 2.210 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000358293698 465041968 /nfs/dbraw/zinc/04/19/68/465041968.db2.gz AVESZNMGCHDDSY-LCLWPZTBSA-N 2 2 345.487 2.220 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000358293698 465041970 /nfs/dbraw/zinc/04/19/70/465041970.db2.gz AVESZNMGCHDDSY-LCLWPZTBSA-N 2 2 345.487 2.220 10 0 EEAELP CCc1c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccn1C ZINC000354680659 465091313 /nfs/dbraw/zinc/09/13/13/465091313.db2.gz SUAPKEGFKVALIB-UHFFFAOYSA-N 2 2 346.519 2.268 10 0 EEAELP C[C@H]1CCC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000337002342 465142528 /nfs/dbraw/zinc/14/25/28/465142528.db2.gz VSIYIJSELUBPEW-HVVXOQGOSA-N 2 2 334.508 2.127 10 0 EEAELP C[C@H]1CCC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000337002342 465142534 /nfs/dbraw/zinc/14/25/34/465142534.db2.gz VSIYIJSELUBPEW-HVVXOQGOSA-N 2 2 334.508 2.127 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000351515579 465196594 /nfs/dbraw/zinc/19/65/94/465196594.db2.gz BXGRMDHMOANVNP-WMZOPIPTSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000351515579 465196599 /nfs/dbraw/zinc/19/65/99/465196599.db2.gz BXGRMDHMOANVNP-WMZOPIPTSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000351515579 465196606 /nfs/dbraw/zinc/19/66/06/465196606.db2.gz BXGRMDHMOANVNP-WMZOPIPTSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000351515579 465196611 /nfs/dbraw/zinc/19/66/11/465196611.db2.gz BXGRMDHMOANVNP-WMZOPIPTSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CC)c1ncc(C[NH+]2CCC([NH2+]CCOC)CC2)s1 ZINC000568096637 468272981 /nfs/dbraw/zinc/27/29/81/468272981.db2.gz KEKGOWQAYFUGEQ-UHFFFAOYSA-N 2 2 326.510 2.190 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000044949484 462543004 /nfs/dbraw/zinc/54/30/04/462543004.db2.gz GYBAESFHOADZDS-CQSZACIVSA-N 2 2 347.488 2.311 10 0 EEAELP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000153179153 462623607 /nfs/dbraw/zinc/62/36/07/462623607.db2.gz SZVOOQZELRLABT-RDJZCZTQSA-N 2 2 334.460 2.467 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000131237956 462799992 /nfs/dbraw/zinc/79/99/92/462799992.db2.gz RYGOCQAPUAOURE-IBGZPJMESA-N 2 2 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ZINC000156559068 463041038 /nfs/dbraw/zinc/04/10/38/463041038.db2.gz FEEWJGOQJVPHNZ-YJBOKZPZSA-N 2 2 342.443 2.091 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535926238 468337171 /nfs/dbraw/zinc/33/71/71/468337171.db2.gz GGVFHDWNTVBFNM-OWCLPIDISA-N 2 2 333.480 2.182 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535926238 468337173 /nfs/dbraw/zinc/33/71/73/468337173.db2.gz GGVFHDWNTVBFNM-OWCLPIDISA-N 2 2 333.480 2.182 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000568532238 468353380 /nfs/dbraw/zinc/35/33/80/468353380.db2.gz CRMJIBKNLFSWBI-ZRZPHAQCSA-N 2 2 329.488 2.246 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000568532238 468353386 /nfs/dbraw/zinc/35/33/86/468353386.db2.gz CRMJIBKNLFSWBI-ZRZPHAQCSA-N 2 2 329.488 2.246 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccnc2Cl)nc[nH+]1 ZINC000105797890 463465395 /nfs/dbraw/zinc/46/53/95/463465395.db2.gz XLGIWMYOKMKOLX-ZDUSSCGKSA-N 2 2 332.839 2.325 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151248633 463500134 /nfs/dbraw/zinc/50/01/34/463500134.db2.gz VMLMGPTVIOIEMP-MJGOQNOKSA-N 3 2 349.519 2.124 10 0 EEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000106461146 463517279 /nfs/dbraw/zinc/51/72/79/463517279.db2.gz JAGBOQABVHDPCE-SFHVURJKSA-N 2 2 326.444 2.220 10 0 EEAELP O=C1[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCN1c1ccccc1F ZINC000084505977 463608495 /nfs/dbraw/zinc/60/84/95/463608495.db2.gz XMQXTVFEGMJCIM-HIFRSBDPSA-N 2 2 328.391 2.295 10 0 EEAELP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000164913910 463636637 /nfs/dbraw/zinc/63/66/37/463636637.db2.gz MQKABKQUCUXCBW-SJORKVTESA-N 2 2 347.507 2.116 10 0 EEAELP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000164913910 463636640 /nfs/dbraw/zinc/63/66/40/463636640.db2.gz MQKABKQUCUXCBW-SJORKVTESA-N 2 2 347.507 2.116 10 0 EEAELP CC[N@@H+]1CCC[C@H](Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1 ZINC000112075981 463690294 /nfs/dbraw/zinc/69/02/94/463690294.db2.gz UKMARNOGMMOSJP-NSHDSACASA-N 2 2 331.420 2.125 10 0 EEAELP CC[N@H+]1CCC[C@H](Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1 ZINC000112075981 463690297 /nfs/dbraw/zinc/69/02/97/463690297.db2.gz UKMARNOGMMOSJP-NSHDSACASA-N 2 2 331.420 2.125 10 0 EEAELP C[NH+](C)CC[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(C)(C)C ZINC000177527792 463729069 /nfs/dbraw/zinc/72/90/69/463729069.db2.gz LYMLZCZMBFWPCB-CVEARBPZSA-N 2 2 335.496 2.424 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CCC([NH+](C)C)CC3)c2cc1C ZINC000193824578 463744919 /nfs/dbraw/zinc/74/49/19/463744919.db2.gz FUESWOGYCQHACC-KRWDZBQOSA-N 3 2 330.476 2.040 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177970258 463821556 /nfs/dbraw/zinc/82/15/56/463821556.db2.gz WJJVBEWPQTUTEV-UHFFFAOYSA-N 2 2 329.448 2.256 10 0 EEAELP c1ccc(-c2noc([C@@H]3COCC[N@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000261732922 463842973 /nfs/dbraw/zinc/84/29/73/463842973.db2.gz KIIDHVSMMGPQQB-INIZCTEOSA-N 2 2 328.416 2.110 10 0 EEAELP c1ccc(-c2noc([C@@H]3COCC[N@@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000261732922 463842976 /nfs/dbraw/zinc/84/29/76/463842976.db2.gz KIIDHVSMMGPQQB-INIZCTEOSA-N 2 2 328.416 2.110 10 0 EEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000262046090 463933640 /nfs/dbraw/zinc/93/36/40/463933640.db2.gz ZCHJVSNDLPXYST-NCXUSEDFSA-N 2 2 335.467 2.175 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000172060445 463979264 /nfs/dbraw/zinc/97/92/64/463979264.db2.gz XVSJSHVTAKDSEH-GJZGRUSLSA-N 2 2 326.444 2.294 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000172060445 463979269 /nfs/dbraw/zinc/97/92/69/463979269.db2.gz XVSJSHVTAKDSEH-GJZGRUSLSA-N 2 2 326.444 2.294 10 0 EEAELP CSCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178875525 464000131 /nfs/dbraw/zinc/00/01/31/464000131.db2.gz SEFXXFCFUWGARY-CVEARBPZSA-N 2 2 327.538 2.145 10 0 EEAELP CSCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178875525 464000136 /nfs/dbraw/zinc/00/01/36/464000136.db2.gz SEFXXFCFUWGARY-CVEARBPZSA-N 2 2 327.538 2.145 10 0 EEAELP C[C@H]1COC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000172667122 464128162 /nfs/dbraw/zinc/12/81/62/464128162.db2.gz NQTAQAZAMUEYHH-IRXDYDNUSA-N 2 2 345.487 2.008 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237143677 464272258 /nfs/dbraw/zinc/27/22/58/464272258.db2.gz APEQPJVBNDTSIW-CVEARBPZSA-N 2 2 339.842 2.340 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237143677 464272263 /nfs/dbraw/zinc/27/22/63/464272263.db2.gz APEQPJVBNDTSIW-CVEARBPZSA-N 2 2 339.842 2.340 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000173953326 464339524 /nfs/dbraw/zinc/33/95/24/464339524.db2.gz YXAXOCXMWNVHNB-RDJZCZTQSA-N 2 2 345.491 2.175 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000173953326 464339529 /nfs/dbraw/zinc/33/95/29/464339529.db2.gz YXAXOCXMWNVHNB-RDJZCZTQSA-N 2 2 345.491 2.175 10 0 EEAELP C[C@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237600922 464346709 /nfs/dbraw/zinc/34/67/09/464346709.db2.gz FYPZJAHQMBHADN-CVEARBPZSA-N 2 2 330.476 2.192 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ncccn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180658369 464362204 /nfs/dbraw/zinc/36/22/04/464362204.db2.gz GSAYPQMCPCGAQU-KGLIPLIRSA-N 2 2 336.399 2.340 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245414470 464477394 /nfs/dbraw/zinc/47/73/94/464477394.db2.gz CIJJKXMNOOQEQI-GUYCJALGSA-N 2 2 339.430 2.243 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245414470 464477403 /nfs/dbraw/zinc/47/74/03/464477403.db2.gz CIJJKXMNOOQEQI-GUYCJALGSA-N 2 2 339.430 2.243 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245414470 464477408 /nfs/dbraw/zinc/47/74/08/464477408.db2.gz CIJJKXMNOOQEQI-GUYCJALGSA-N 2 2 339.430 2.243 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000245414470 464477412 /nfs/dbraw/zinc/47/74/12/464477412.db2.gz CIJJKXMNOOQEQI-GUYCJALGSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000183022247 464777814 /nfs/dbraw/zinc/77/78/14/464777814.db2.gz GNRKRTFMAJPRDA-NFAWXSAZSA-N 2 2 330.519 2.154 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000183022247 464777821 /nfs/dbraw/zinc/77/78/21/464777821.db2.gz GNRKRTFMAJPRDA-NFAWXSAZSA-N 2 2 330.519 2.154 10 0 EEAELP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248842478 464808289 /nfs/dbraw/zinc/80/82/89/464808289.db2.gz LYXYFJLKTCDTRZ-IAGOWNOFSA-N 2 2 339.524 2.209 10 0 EEAELP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248842478 464808291 /nfs/dbraw/zinc/80/82/91/464808291.db2.gz LYXYFJLKTCDTRZ-IAGOWNOFSA-N 2 2 339.524 2.209 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348187000 465479963 /nfs/dbraw/zinc/47/99/63/465479963.db2.gz NSTLMPWEHJCBAJ-ZBFHGGJFSA-N 2 2 327.428 2.379 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348187000 465479967 /nfs/dbraw/zinc/47/99/67/465479967.db2.gz NSTLMPWEHJCBAJ-ZBFHGGJFSA-N 2 2 327.428 2.379 10 0 EEAELP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccnc1 ZINC000359358317 465399637 /nfs/dbraw/zinc/39/96/37/465399637.db2.gz AOOPLWUQBKFJFK-ZWKOTPCHSA-N 2 2 332.492 2.311 10 0 EEAELP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccnc1 ZINC000359358317 465399640 /nfs/dbraw/zinc/39/96/40/465399640.db2.gz AOOPLWUQBKFJFK-ZWKOTPCHSA-N 2 2 332.492 2.311 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000337810251 465599047 /nfs/dbraw/zinc/59/90/47/465599047.db2.gz MCCUDVJQDUQCBP-OAHLLOKOSA-N 2 2 334.489 2.349 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000337810251 465599051 /nfs/dbraw/zinc/59/90/51/465599051.db2.gz MCCUDVJQDUQCBP-OAHLLOKOSA-N 2 2 334.489 2.349 10 0 EEAELP C[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000345739878 465896167 /nfs/dbraw/zinc/89/61/67/465896167.db2.gz QOYXTSVESDWKSS-APWZRJJASA-N 2 2 329.488 2.454 10 0 EEAELP C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000345739878 465896173 /nfs/dbraw/zinc/89/61/73/465896173.db2.gz QOYXTSVESDWKSS-APWZRJJASA-N 2 2 329.488 2.454 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000345739878 465896175 /nfs/dbraw/zinc/89/61/75/465896175.db2.gz QOYXTSVESDWKSS-APWZRJJASA-N 2 2 329.488 2.454 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000345739878 465896178 /nfs/dbraw/zinc/89/61/78/465896178.db2.gz QOYXTSVESDWKSS-APWZRJJASA-N 2 2 329.488 2.454 10 0 EEAELP c1cn(C[C@@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000346189024 465974128 /nfs/dbraw/zinc/97/41/28/465974128.db2.gz CGYGHKKXYMQRHR-CQSZACIVSA-N 2 2 328.445 2.438 10 0 EEAELP c1cn(C[C@@H]2CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000346189024 465974135 /nfs/dbraw/zinc/97/41/35/465974135.db2.gz CGYGHKKXYMQRHR-CQSZACIVSA-N 2 2 328.445 2.438 10 0 EEAELP c1nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000302921093 466214165 /nfs/dbraw/zinc/21/41/65/466214165.db2.gz ZUMGGIRSTLOZIC-MRXNPFEDSA-N 2 2 347.532 2.485 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000358233416 466559813 /nfs/dbraw/zinc/55/98/13/466559813.db2.gz DPAHBQUCVMWKIZ-ZETOZRRWSA-N 2 2 325.815 2.124 10 0 EEAELP COC[C@@]1(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)CCC[NH2+]1 ZINC000423441805 466750995 /nfs/dbraw/zinc/75/09/95/466750995.db2.gz WFVWLPUZQOBXRQ-DYVFJYSZSA-N 2 2 349.866 2.340 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000412032451 466972058 /nfs/dbraw/zinc/97/20/58/466972058.db2.gz CDSPNLPXJHXNFM-HZPDHXFCSA-N 2 2 330.476 2.239 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412032451 466972060 /nfs/dbraw/zinc/97/20/60/466972060.db2.gz CDSPNLPXJHXNFM-HZPDHXFCSA-N 2 2 330.476 2.239 10 0 EEAELP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417938951 466993568 /nfs/dbraw/zinc/99/35/68/466993568.db2.gz JJDWYGVROVSDDC-VCTAVGKDSA-N 2 2 342.846 2.213 10 0 EEAELP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417938951 466993571 /nfs/dbraw/zinc/99/35/71/466993571.db2.gz JJDWYGVROVSDDC-VCTAVGKDSA-N 2 2 342.846 2.213 10 0 EEAELP C[NH2+]CCCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000418274065 467087082 /nfs/dbraw/zinc/08/70/82/467087082.db2.gz AEJXOQNTADGMHD-AWEZNQCLSA-N 2 2 338.883 2.338 10 0 EEAELP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000418462045 467114284 /nfs/dbraw/zinc/11/42/84/467114284.db2.gz MSGHBZIBTDJOMH-OAHLLOKOSA-N 2 2 339.443 2.133 10 0 EEAELP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377755053 467134018 /nfs/dbraw/zinc/13/40/18/467134018.db2.gz AYFXSRLVSRMJAW-GHMZBOCLSA-N 2 2 333.823 2.322 10 0 EEAELP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377755053 467134019 /nfs/dbraw/zinc/13/40/19/467134019.db2.gz AYFXSRLVSRMJAW-GHMZBOCLSA-N 2 2 333.823 2.322 10 0 EEAELP CC(C)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378069778 467190146 /nfs/dbraw/zinc/19/01/46/467190146.db2.gz CITRBMNHPDLLEJ-DAYGRLMNSA-N 2 2 348.491 2.250 10 0 EEAELP CC(C)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378069778 467190162 /nfs/dbraw/zinc/19/01/62/467190162.db2.gz CITRBMNHPDLLEJ-DAYGRLMNSA-N 2 2 348.491 2.250 10 0 EEAELP CC(C)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378069778 467190165 /nfs/dbraw/zinc/19/01/65/467190165.db2.gz CITRBMNHPDLLEJ-DAYGRLMNSA-N 2 2 348.491 2.250 10 0 EEAELP CC(C)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378069778 467190166 /nfs/dbraw/zinc/19/01/66/467190166.db2.gz CITRBMNHPDLLEJ-DAYGRLMNSA-N 2 2 348.491 2.250 10 0 EEAELP CC(=O)[C@H](C)CCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000432496432 467245335 /nfs/dbraw/zinc/24/53/35/467245335.db2.gz VXRDSUBSCVRYTL-MRXNPFEDSA-N 2 2 339.524 2.256 10 0 EEAELP CC(=O)[C@H](C)CCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000432496432 467245339 /nfs/dbraw/zinc/24/53/39/467245339.db2.gz VXRDSUBSCVRYTL-MRXNPFEDSA-N 2 2 339.524 2.256 10 0 EEAELP CCc1nc(C)c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000432637316 467255470 /nfs/dbraw/zinc/25/54/70/467255470.db2.gz UCPSUZPIYNGVOD-UHFFFAOYSA-N 2 2 339.509 2.161 10 0 EEAELP CC1=C[C@H](C)C[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428938960 467282078 /nfs/dbraw/zinc/28/20/78/467282078.db2.gz KPFKAWDEULVTPD-RDJZCZTQSA-N 2 2 328.460 2.017 10 0 EEAELP CC1=C[C@H](C)C[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428938960 467282083 /nfs/dbraw/zinc/28/20/83/467282083.db2.gz KPFKAWDEULVTPD-RDJZCZTQSA-N 2 2 328.460 2.017 10 0 EEAELP O=C1[C@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420375568 467384659 /nfs/dbraw/zinc/38/46/59/467384659.db2.gz OLVJBKGCUXPKKG-IEBWSBKVSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420375568 467384661 /nfs/dbraw/zinc/38/46/61/467384661.db2.gz OLVJBKGCUXPKKG-IEBWSBKVSA-N 2 2 331.435 2.397 10 0 EEAELP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414930860 467453190 /nfs/dbraw/zinc/45/31/90/467453190.db2.gz BEKTWNKVKWZLOJ-RISCZKNCSA-N 2 2 330.881 2.221 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)c2cnn(C)c2)CC1 ZINC000449199928 467623140 /nfs/dbraw/zinc/62/31/40/467623140.db2.gz BHOCAOFCDFJREM-OXQOHEQNSA-N 2 2 342.487 2.139 10 0 EEAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(C)c1 ZINC000449391046 467636320 /nfs/dbraw/zinc/63/63/20/467636320.db2.gz HMJKXNBIBIOKNG-ROUUACIJSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(C)c1 ZINC000449391046 467636322 /nfs/dbraw/zinc/63/63/22/467636322.db2.gz HMJKXNBIBIOKNG-ROUUACIJSA-N 2 2 347.503 2.457 10 0 EEAELP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449392515 467636871 /nfs/dbraw/zinc/63/68/71/467636871.db2.gz KFMISFAGKWSJQN-JKSUJKDBSA-N 2 2 330.476 2.320 10 0 EEAELP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449392515 467636873 /nfs/dbraw/zinc/63/68/73/467636873.db2.gz KFMISFAGKWSJQN-JKSUJKDBSA-N 2 2 330.476 2.320 10 0 EEAELP CC[C@H](CC(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000457657176 467672004 /nfs/dbraw/zinc/67/20/04/467672004.db2.gz CTAPYBPNHGVLRH-JZWPEALZSA-N 2 2 343.462 2.437 10 0 EEAELP CC[C@H](CC(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000457657176 467672006 /nfs/dbraw/zinc/67/20/06/467672006.db2.gz CTAPYBPNHGVLRH-JZWPEALZSA-N 2 2 343.462 2.437 10 0 EEAELP Cn1ncc(Br)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000487203644 468028154 /nfs/dbraw/zinc/02/81/54/468028154.db2.gz SNMMAULDZTZBIO-UHFFFAOYSA-N 2 2 329.286 2.394 10 0 EEAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000531790495 468074918 /nfs/dbraw/zinc/07/49/18/468074918.db2.gz QGWVVOBZWRKUCE-OAHLLOKOSA-N 2 2 333.480 2.277 10 0 EEAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000531790495 468074919 /nfs/dbraw/zinc/07/49/19/468074919.db2.gz QGWVVOBZWRKUCE-OAHLLOKOSA-N 2 2 333.480 2.277 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cccc(C(=O)NCC(C)C)c2)CC1 ZINC000519411893 468160735 /nfs/dbraw/zinc/16/07/35/468160735.db2.gz YTCABMTYIGKKHM-UHFFFAOYSA-N 2 2 347.503 2.273 10 0 EEAELP c1nnn(Cc2ccccc2)c1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000490594215 468223501 /nfs/dbraw/zinc/22/35/01/468223501.db2.gz OXLGYYMACXZBDZ-UHFFFAOYSA-N 2 2 332.411 2.306 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]1 ZINC000568059241 468267267 /nfs/dbraw/zinc/26/72/67/468267267.db2.gz DASYJUOLMSOXQD-PMPSAXMXSA-N 2 2 345.491 2.249 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000556765292 468568903 /nfs/dbraw/zinc/56/89/03/468568903.db2.gz VOCGOBBMDJZFGS-ACJLOTCBSA-N 2 2 328.416 2.251 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@](C)(O)C1 ZINC000556765292 468568907 /nfs/dbraw/zinc/56/89/07/468568907.db2.gz VOCGOBBMDJZFGS-ACJLOTCBSA-N 2 2 328.416 2.251 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2CCCCO2)CC1 ZINC000594614237 468636263 /nfs/dbraw/zinc/63/62/63/468636263.db2.gz KMMDBAZXDCRZSB-PKOBYXMFSA-N 2 2 338.492 2.341 10 0 EEAELP Cc1c(C[NH+](C)[C@@H](C)CC[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000584878919 468953887 /nfs/dbraw/zinc/95/38/87/468953887.db2.gz GXMROZJEQJOFSM-AWEZNQCLSA-N 2 2 332.496 2.113 10 0 EEAELP Cc1c(C[NH+](C)[C@@H](C)CC[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000584878919 468953890 /nfs/dbraw/zinc/95/38/90/468953890.db2.gz GXMROZJEQJOFSM-AWEZNQCLSA-N 2 2 332.496 2.113 10 0 EEAELP Cc1c(C[NH+](C)CC[C@H](C)[N@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000584878919 468953895 /nfs/dbraw/zinc/95/38/95/468953895.db2.gz GXMROZJEQJOFSM-AWEZNQCLSA-N 2 2 332.496 2.113 10 0 EEAELP Cc1c(C[NH+](C)CC[C@H](C)[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000584878919 468953899 /nfs/dbraw/zinc/95/38/99/468953899.db2.gz GXMROZJEQJOFSM-AWEZNQCLSA-N 2 2 332.496 2.113 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000595906593 469075612 /nfs/dbraw/zinc/07/56/12/469075612.db2.gz LRXYVZBWNDUBPE-CYBMUJFWSA-N 2 2 326.462 2.077 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)s1 ZINC000595906593 469075615 /nfs/dbraw/zinc/07/56/15/469075615.db2.gz LRXYVZBWNDUBPE-CYBMUJFWSA-N 2 2 326.462 2.077 10 0 EEAELP CC1(C)CN(C(=O)CC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000563340152 469231126 /nfs/dbraw/zinc/23/11/26/469231126.db2.gz WOXGFNXSDGVXNJ-UHFFFAOYSA-N 2 2 325.403 2.094 10 0 EEAELP CC1(C)CN(C(=O)CC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000563340152 469231133 /nfs/dbraw/zinc/23/11/33/469231133.db2.gz WOXGFNXSDGVXNJ-UHFFFAOYSA-N 2 2 325.403 2.094 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[N@@H+]1Cc1ccccc1 ZINC000612300308 469432261 /nfs/dbraw/zinc/43/22/61/469432261.db2.gz MGTMXXXLUNAYHO-OIISXLGYSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[N@H+]1Cc1ccccc1 ZINC000612300308 469432265 /nfs/dbraw/zinc/43/22/65/469432265.db2.gz MGTMXXXLUNAYHO-OIISXLGYSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[N@@H+]1Cc1ccccc1 ZINC000612300308 469432272 /nfs/dbraw/zinc/43/22/72/469432272.db2.gz MGTMXXXLUNAYHO-OIISXLGYSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[N@H+]1Cc1ccccc1 ZINC000612300308 469432277 /nfs/dbraw/zinc/43/22/77/469432277.db2.gz MGTMXXXLUNAYHO-OIISXLGYSA-N 2 2 338.455 2.294 10 0 EEAELP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623268721 469603900 /nfs/dbraw/zinc/60/39/00/469603900.db2.gz URCARZSVBIIBLJ-KRWDZBQOSA-N 2 2 326.444 2.470 10 0 EEAELP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623268721 469603903 /nfs/dbraw/zinc/60/39/03/469603903.db2.gz URCARZSVBIIBLJ-KRWDZBQOSA-N 2 2 326.444 2.470 10 0 EEAELP CC(C)(CNc1cc[nH+]c2c(O)cccc12)[NH+]1CCS(=O)CC1 ZINC000619482558 469621424 /nfs/dbraw/zinc/62/14/24/469621424.db2.gz QDLPJNQEUJGHND-UHFFFAOYSA-N 2 2 333.457 2.195 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000623617766 469712227 /nfs/dbraw/zinc/71/22/27/469712227.db2.gz NGKFXDDMAQQDKC-INIZCTEOSA-N 2 2 344.484 2.240 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000623617766 469712233 /nfs/dbraw/zinc/71/22/33/469712233.db2.gz NGKFXDDMAQQDKC-INIZCTEOSA-N 2 2 344.484 2.240 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncoc1-c1ccc(F)cc1 ZINC000617764663 469795624 /nfs/dbraw/zinc/79/56/24/469795624.db2.gz BKOYUHOBFJBEKO-UHFFFAOYSA-N 2 2 348.422 2.094 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncoc1-c1ccc(F)cc1 ZINC000617764663 469795628 /nfs/dbraw/zinc/79/56/28/469795628.db2.gz BKOYUHOBFJBEKO-UHFFFAOYSA-N 2 2 348.422 2.094 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)CC2 ZINC000624083777 469835627 /nfs/dbraw/zinc/83/56/27/469835627.db2.gz BXMWNJXRQQAGGC-SJORKVTESA-N 2 2 332.492 2.381 10 0 EEAELP c1c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)nnn1C[C@@H]1CCOC1 ZINC000631056557 470058990 /nfs/dbraw/zinc/05/89/90/470058990.db2.gz PXBYPHWTEPWBGY-KRWDZBQOSA-N 2 2 347.507 2.059 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000631183316 470088606 /nfs/dbraw/zinc/08/86/06/470088606.db2.gz OHQMFFKAHBSNLA-QUCCMNQESA-N 2 2 346.471 2.055 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621782090 470106370 /nfs/dbraw/zinc/10/63/70/470106370.db2.gz MGQBSNAEQQZVKU-LJHODMEESA-N 2 2 331.435 2.443 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621782090 470106373 /nfs/dbraw/zinc/10/63/73/470106373.db2.gz MGQBSNAEQQZVKU-LJHODMEESA-N 2 2 331.435 2.443 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000631453553 470144911 /nfs/dbraw/zinc/14/49/11/470144911.db2.gz NQESHRIVVKONTE-SFHVURJKSA-N 2 2 338.455 2.359 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000625500803 470156385 /nfs/dbraw/zinc/15/63/85/470156385.db2.gz BWGSBSCIADCIDL-OCCSQVGLSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000625500803 470156388 /nfs/dbraw/zinc/15/63/88/470156388.db2.gz BWGSBSCIADCIDL-OCCSQVGLSA-N 2 2 335.414 2.202 10 0 EEAELP CC[NH+](CC)[C@@H]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631556888 470172134 /nfs/dbraw/zinc/17/21/34/470172134.db2.gz DDCCLRXXHZDZDT-GOSISDBHSA-N 2 2 326.444 2.358 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000634714101 470284917 /nfs/dbraw/zinc/28/49/17/470284917.db2.gz GIBIJTPRLSLLGM-HUYLIWGRSA-N 2 2 332.488 2.151 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000634714101 470284919 /nfs/dbraw/zinc/28/49/19/470284919.db2.gz GIBIJTPRLSLLGM-HUYLIWGRSA-N 2 2 332.488 2.151 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC34CC4)CC2)CC1 ZINC000632978961 470305752 /nfs/dbraw/zinc/30/57/52/470305752.db2.gz MEGSIQLGDSOWPQ-QGZVFWFLSA-N 2 2 334.508 2.177 10 0 EEAELP CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000633042944 470330029 /nfs/dbraw/zinc/33/00/29/470330029.db2.gz WTUDXGNTUPGXJJ-DFNIBXOVSA-N 2 2 338.455 2.498 10 0 EEAELP CN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000633042944 470330033 /nfs/dbraw/zinc/33/00/33/470330033.db2.gz WTUDXGNTUPGXJJ-DFNIBXOVSA-N 2 2 338.455 2.498 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000638976653 470342203 /nfs/dbraw/zinc/34/22/03/470342203.db2.gz CFJIYQIOZUQDGU-UHFFFAOYSA-N 2 2 346.471 2.010 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000638976653 470342206 /nfs/dbraw/zinc/34/22/06/470342206.db2.gz CFJIYQIOZUQDGU-UHFFFAOYSA-N 2 2 346.471 2.010 10 0 EEAELP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635624931 470682411 /nfs/dbraw/zinc/68/24/11/470682411.db2.gz BCSAGSVUXCLROX-RCCFBDPRSA-N 2 2 338.455 2.494 10 0 EEAELP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635624931 470682417 /nfs/dbraw/zinc/68/24/17/470682417.db2.gz BCSAGSVUXCLROX-RCCFBDPRSA-N 2 2 338.455 2.494 10 0 EEAELP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635624931 470682421 /nfs/dbraw/zinc/68/24/21/470682421.db2.gz BCSAGSVUXCLROX-RCCFBDPRSA-N 2 2 338.455 2.494 10 0 EEAELP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635624931 470682425 /nfs/dbraw/zinc/68/24/25/470682425.db2.gz BCSAGSVUXCLROX-RCCFBDPRSA-N 2 2 338.455 2.494 10 0 EEAELP c1cn(CCCN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000649751742 470686323 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CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657523100 471162152 /nfs/dbraw/zinc/16/21/52/471162152.db2.gz DFQFXSMZRCUWQU-MRXNPFEDSA-N 2 2 333.476 2.116 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657523100 471162156 /nfs/dbraw/zinc/16/21/56/471162156.db2.gz DFQFXSMZRCUWQU-MRXNPFEDSA-N 2 2 333.476 2.116 10 0 EEAELP CCC(CC)C(=O)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652337252 471273820 /nfs/dbraw/zinc/27/38/20/471273820.db2.gz ZPCMVYMSGILQBZ-UHFFFAOYSA-N 2 2 329.488 2.413 10 0 EEAELP Cc1ccc(CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000666279742 471338038 /nfs/dbraw/zinc/33/80/38/471338038.db2.gz KHIRDFQBWNETIC-UHFFFAOYSA-N 2 2 334.508 2.029 10 0 EEAELP Cc1ccc(CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000666279742 471338042 /nfs/dbraw/zinc/33/80/42/471338042.db2.gz KHIRDFQBWNETIC-UHFFFAOYSA-N 2 2 334.508 2.029 10 0 EEAELP CC[C@H](C)n1nc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000666569754 471451052 /nfs/dbraw/zinc/45/10/52/471451052.db2.gz LGXUKCZSWUCBGU-AWEZNQCLSA-N 2 2 338.500 2.168 10 0 EEAELP CC[C@H](C)n1nc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000666569754 471451058 /nfs/dbraw/zinc/45/10/58/471451058.db2.gz LGXUKCZSWUCBGU-AWEZNQCLSA-N 2 2 338.500 2.168 10 0 EEAELP C[C@@H](c1cccc(NC(=O)CC(F)(F)C[NH3+])c1)[NH+]1CCOCC1 ZINC000653117660 471496484 /nfs/dbraw/zinc/49/64/84/471496484.db2.gz SFXLPMAAZVDBQY-LBPRGKRZSA-N 2 2 327.375 2.002 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000659455881 471635354 /nfs/dbraw/zinc/63/53/54/471635354.db2.gz GIKLSEOZRGZXJT-CABCVRRESA-N 2 2 342.434 2.240 10 0 EEAELP Cc1cc(C)cc(CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664205138 471676349 /nfs/dbraw/zinc/67/63/49/471676349.db2.gz JHWDSJTYUXBIJN-UHFFFAOYSA-N 2 2 334.508 2.029 10 0 EEAELP Cc1cc(C)cc(CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664205138 471676354 /nfs/dbraw/zinc/67/63/54/471676354.db2.gz JHWDSJTYUXBIJN-UHFFFAOYSA-N 2 2 334.508 2.029 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659579150 471684852 /nfs/dbraw/zinc/68/48/52/471684852.db2.gz IYSCUCWDECAIPG-QZTJIDSGSA-N 2 2 341.459 2.060 10 0 EEAELP C[C@H]1CC(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@H](C)C1 ZINC000664537524 471786611 /nfs/dbraw/zinc/78/66/11/471786611.db2.gz NQZIDFWXXKTEEF-HZPDHXFCSA-N 2 2 338.540 2.384 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000656705546 471813549 /nfs/dbraw/zinc/81/35/49/471813549.db2.gz KOXRLKJDHXRJQF-HXUWFJFHSA-N 2 2 344.499 2.154 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000656705546 471813553 /nfs/dbraw/zinc/81/35/53/471813553.db2.gz KOXRLKJDHXRJQF-HXUWFJFHSA-N 2 2 344.499 2.154 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000664939386 471904747 /nfs/dbraw/zinc/90/47/47/471904747.db2.gz UCDFPIFLICABOU-HNNXBMFYSA-N 2 2 348.482 2.385 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000664939386 471904751 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ZINC000665787624 472186639 /nfs/dbraw/zinc/18/66/39/472186639.db2.gz OZNWFPDFOURRIM-HNNXBMFYSA-N 2 2 326.529 2.479 10 0 EEAELP CCC(C)(C)[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000665787624 472186643 /nfs/dbraw/zinc/18/66/43/472186643.db2.gz OZNWFPDFOURRIM-HNNXBMFYSA-N 2 2 326.529 2.479 10 0 EEAELP [NH3+][C@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccc(F)cc1F ZINC000662714858 472220214 /nfs/dbraw/zinc/22/02/14/472220214.db2.gz LVIAVKMYLSHNAB-LBPRGKRZSA-N 2 2 348.275 2.040 10 0 EEAELP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)OCCCCO4)CC2)C1 ZINC000668738519 472245603 /nfs/dbraw/zinc/24/56/03/472245603.db2.gz FEBFJWCUSIDSNG-SFHVURJKSA-N 2 2 346.471 2.269 10 0 EEAELP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc4c(c3)OCCCCO4)CC2)C1 ZINC000668738519 472245607 /nfs/dbraw/zinc/24/56/07/472245607.db2.gz FEBFJWCUSIDSNG-SFHVURJKSA-N 2 2 346.471 2.269 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cnc(-c4ccncc4)s3)CC2)C1 ZINC000668739390 472248701 /nfs/dbraw/zinc/24/87/01/472248701.db2.gz LMACSJZEMJDRDS-MRXNPFEDSA-N 2 2 344.484 2.236 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cnc(-c4ccncc4)s3)CC2)C1 ZINC000668739390 472248707 /nfs/dbraw/zinc/24/87/07/472248707.db2.gz LMACSJZEMJDRDS-MRXNPFEDSA-N 2 2 344.484 2.236 10 0 EEAELP Cc1cc2cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2[nH]1 ZINC000665992440 472267594 /nfs/dbraw/zinc/26/75/94/472267594.db2.gz DKASZHSPLWLGEV-UHFFFAOYSA-N 2 2 331.464 2.481 10 0 EEAELP Cc1cc2cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2[nH]1 ZINC000665992440 472267598 /nfs/dbraw/zinc/26/75/98/472267598.db2.gz DKASZHSPLWLGEV-UHFFFAOYSA-N 2 2 331.464 2.481 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3CCC4(CC4)CC3)C2)CC1 ZINC000683384693 485504097 /nfs/dbraw/zinc/50/40/97/485504097.db2.gz NSQCYUYGBGEVFX-INIZCTEOSA-N 2 2 334.508 2.177 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3CCC4(CC4)CC3)C2)CC1 ZINC000683384693 485504108 /nfs/dbraw/zinc/50/41/08/485504108.db2.gz NSQCYUYGBGEVFX-INIZCTEOSA-N 2 2 334.508 2.177 10 0 EEAELP CC[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCOC2)O1 ZINC000668096399 485620764 /nfs/dbraw/zinc/62/07/64/485620764.db2.gz GXZMUGFZPRIKSR-QZTJIDSGSA-N 2 2 328.416 2.037 10 0 EEAELP CC[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCOC2)O1 ZINC000668096399 485620768 /nfs/dbraw/zinc/62/07/68/485620768.db2.gz GXZMUGFZPRIKSR-QZTJIDSGSA-N 2 2 328.416 2.037 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N1CC[NH+](CCCF)CC1)c1ccc(Cl)cc1 ZINC000627964002 485705335 /nfs/dbraw/zinc/70/53/35/485705335.db2.gz ZVIHFDMHAROVLN-MRXNPFEDSA-N 2 2 341.858 2.447 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000684433433 485881902 /nfs/dbraw/zinc/88/19/02/485881902.db2.gz UFBYPVNXYKEHKA-CGZBRXJRSA-N 2 2 331.464 2.247 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3coc4cc(F)ccc34)C2)CC1 ZINC000684441104 485884825 /nfs/dbraw/zinc/88/48/25/485884825.db2.gz XWMPDPLDXNUGKD-CQSZACIVSA-N 2 2 345.418 2.470 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3coc4cc(F)ccc34)C2)CC1 ZINC000684441104 485884828 /nfs/dbraw/zinc/88/48/28/485884828.db2.gz XWMPDPLDXNUGKD-CQSZACIVSA-N 2 2 345.418 2.470 10 0 EEAELP OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680110520 485892411 /nfs/dbraw/zinc/89/24/11/485892411.db2.gz GIFWAXWOPNKESN-INIZCTEOSA-N 2 2 343.456 2.290 10 0 EEAELP CC1(C)C[C@@H]([NH2+]C[C@@]2(CCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000677806761 486496494 /nfs/dbraw/zinc/49/64/94/486496494.db2.gz MXSRNWABEQFSMY-UYAOXDASSA-N 2 2 332.488 2.418 10 0 EEAELP CC1(C)C[C@@H]([NH2+]C[C@@]2(CCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000677806761 486496496 /nfs/dbraw/zinc/49/64/96/486496496.db2.gz MXSRNWABEQFSMY-UYAOXDASSA-N 2 2 332.488 2.418 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000678241395 486596703 /nfs/dbraw/zinc/59/67/03/486596703.db2.gz FUEVKLMCXPJNQJ-INIZCTEOSA-N 2 2 327.476 2.165 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000678241395 486596706 /nfs/dbraw/zinc/59/67/06/486596706.db2.gz FUEVKLMCXPJNQJ-INIZCTEOSA-N 2 2 327.476 2.165 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000559374407 490630048 /nfs/dbraw/zinc/63/00/48/490630048.db2.gz PKDPNXXCQCGTSN-QLFBSQMISA-N 2 2 341.459 2.428 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000559374407 490630054 /nfs/dbraw/zinc/63/00/54/490630054.db2.gz PKDPNXXCQCGTSN-QLFBSQMISA-N 2 2 341.459 2.428 10 0 EEAELP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422812517 535475835 /nfs/dbraw/zinc/47/58/35/535475835.db2.gz QOHUIKYKDASSAC-MOPGFXCFSA-N 2 2 345.487 2.025 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c1 ZINC000459144782 535941576 /nfs/dbraw/zinc/94/15/76/535941576.db2.gz GMZBUXKWNGSPDI-MRXNPFEDSA-N 2 2 349.866 2.218 10 0 EEAELP Fc1cc(C[NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)ccc1-n1cncn1 ZINC000731451340 577102412 /nfs/dbraw/zinc/10/24/12/577102412.db2.gz PNERRWHILSQJHS-UHFFFAOYSA-N 2 2 349.373 2.277 10 0 EEAELP Cc1cncc(/C=C\C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000772691569 577289934 /nfs/dbraw/zinc/28/99/34/577289934.db2.gz AOBKZHZYTJWTCS-HMECNJMJSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cncc(/C=C\C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000772691569 577289936 /nfs/dbraw/zinc/28/99/36/577289936.db2.gz AOBKZHZYTJWTCS-HMECNJMJSA-N 2 2 342.487 2.030 10 0 EEAELP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000774975899 577425134 /nfs/dbraw/zinc/42/51/34/577425134.db2.gz DTOWCDSJVHATQU-INIZCTEOSA-N 2 2 340.427 2.184 10 0 EEAELP CC[N@H+](Cn1cnnc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000776760005 577467243 /nfs/dbraw/zinc/46/72/43/577467243.db2.gz HUFQVRQELXDWLU-UHFFFAOYSA-N 2 2 343.479 2.448 10 0 EEAELP CC[N@@H+](Cn1cnnc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000776760005 577467244 /nfs/dbraw/zinc/46/72/44/577467244.db2.gz HUFQVRQELXDWLU-UHFFFAOYSA-N 2 2 343.479 2.448 10 0 EEAELP Cc1cc(C[NH3+])cc(NC(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000926166556 676651485 /nfs/dbraw/zinc/65/14/85/676651485.db2.gz KCZIVGOJGOFCRA-UHFFFAOYSA-N 2 2 333.461 2.294 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1Br ZINC000925685222 684887138 /nfs/dbraw/zinc/88/71/38/684887138.db2.gz KYGARWWLPZEENO-KBPBESRZSA-N 2 2 325.250 2.357 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000162767091 684990228 /nfs/dbraw/zinc/99/02/28/684990228.db2.gz FAZHURKRBVWTTA-SJORKVTESA-N 2 2 346.475 2.480 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000162767091 684990230 /nfs/dbraw/zinc/99/02/30/684990230.db2.gz FAZHURKRBVWTTA-SJORKVTESA-N 2 2 346.475 2.480 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000322192584 691562055 /nfs/dbraw/zinc/56/20/55/691562055.db2.gz HAKPWQOUZYFJON-UHFFFAOYSA-N 2 2 330.354 2.250 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001485508384 1191819673 /nfs/dbraw/zinc/81/96/73/1191819673.db2.gz CUJUROBQENSNLQ-QWHCGFSZSA-N 2 2 340.418 2.214 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001485508384 1191819676 /nfs/dbraw/zinc/81/96/76/1191819676.db2.gz CUJUROBQENSNLQ-QWHCGFSZSA-N 2 2 340.418 2.214 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CC([C@@H](C)NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001485518775 1191823337 /nfs/dbraw/zinc/82/33/37/1191823337.db2.gz QRPWRMYYAFAMTK-OAHLLOKOSA-N 2 2 344.434 2.357 10 0 EEAELP CCOCCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001485663772 1191883836 /nfs/dbraw/zinc/88/38/36/1191883836.db2.gz FDURMSMAVWNGHH-QGZVFWFLSA-N 2 2 348.491 2.185 10 0 EEAELP CCOCCC[N@H+]1CCCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001485663772 1191883837 /nfs/dbraw/zinc/88/38/37/1191883837.db2.gz FDURMSMAVWNGHH-QGZVFWFLSA-N 2 2 348.491 2.185 10 0 EEAELP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266489904 1176627523 /nfs/dbraw/zinc/62/75/23/1176627523.db2.gz VRDBMIKBXNLGKX-YESZJQIVSA-N 2 2 330.476 2.311 10 0 EEAELP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266489904 1176627525 /nfs/dbraw/zinc/62/75/25/1176627525.db2.gz VRDBMIKBXNLGKX-YESZJQIVSA-N 2 2 330.476 2.311 10 0 EEAELP C[NH+](C)CC1(C(=O)NCC[N@H+](C)Cc2cncs2)CCCCC1 ZINC001480895127 1177667388 /nfs/dbraw/zinc/66/73/88/1177667388.db2.gz QTJRNFQRMYPWGO-UHFFFAOYSA-N 2 2 338.521 2.203 10 0 EEAELP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)Cc2cncs2)CCCCC1 ZINC001480895127 1177667395 /nfs/dbraw/zinc/66/73/95/1177667395.db2.gz QTJRNFQRMYPWGO-UHFFFAOYSA-N 2 2 338.521 2.203 10 0 EEAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCOCC1CCC1 ZINC001266948350 1177872449 /nfs/dbraw/zinc/87/24/49/1177872449.db2.gz OHOCAAFKYUMGQJ-CYBMUJFWSA-N 2 2 330.432 2.088 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)CCc1c[nH+]cn1C ZINC001267019626 1178102862 /nfs/dbraw/zinc/10/28/62/1178102862.db2.gz ADYMOMWTWATRIZ-TWGQIWQCSA-N 2 2 326.444 2.114 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+]2CCCC2)no1 ZINC001267283754 1178677171 /nfs/dbraw/zinc/67/71/71/1178677171.db2.gz QHACNZHBRBOTSK-GOSISDBHSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+]2CCCC2)no1 ZINC001267283754 1178677174 /nfs/dbraw/zinc/67/71/74/1178677174.db2.gz QHACNZHBRBOTSK-GOSISDBHSA-N 2 2 348.491 2.330 10 0 EEAELP CN(CC[NH2+]Cc1sccc1Cl)C(=O)CCn1cc[nH+]c1 ZINC001267411041 1178973203 /nfs/dbraw/zinc/97/32/03/1178973203.db2.gz PDPMAQVDYDCXPR-UHFFFAOYSA-N 2 2 326.853 2.236 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1ccncc1Cl ZINC001267433789 1179001612 /nfs/dbraw/zinc/00/16/12/1179001612.db2.gz MMALXDCPLPCLFB-UHFFFAOYSA-N 2 2 349.866 2.303 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]Cc1nc2ccccc2o1)n1cc[nH+]c1 ZINC001267433901 1179001800 /nfs/dbraw/zinc/00/18/00/1179001800.db2.gz NQWZZOKJNLPSAS-AWEZNQCLSA-N 2 2 341.415 2.224 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267741852 1180359490 /nfs/dbraw/zinc/35/94/90/1180359490.db2.gz PDNHMNQAXWFIKK-QDLOVBKTSA-N 2 2 330.476 2.309 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267741852 1180359496 /nfs/dbraw/zinc/35/94/96/1180359496.db2.gz PDNHMNQAXWFIKK-QDLOVBKTSA-N 2 2 330.476 2.309 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC001267752041 1180412084 /nfs/dbraw/zinc/41/20/84/1180412084.db2.gz RVOSZPZNBOHCRC-OAHLLOKOSA-N 2 2 344.459 2.250 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC001267752041 1180412087 /nfs/dbraw/zinc/41/20/87/1180412087.db2.gz RVOSZPZNBOHCRC-OAHLLOKOSA-N 2 2 344.459 2.250 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001481250080 1180467240 /nfs/dbraw/zinc/46/72/40/1180467240.db2.gz LSDALSKATLLZIP-QGZVFWFLSA-N 2 2 326.444 2.002 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001267823602 1180585676 /nfs/dbraw/zinc/58/56/76/1180585676.db2.gz LJOSINTVSLUEPM-OAHLLOKOSA-N 2 2 325.416 2.118 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001267930189 1180779623 /nfs/dbraw/zinc/77/96/23/1180779623.db2.gz YNXPPSAKNMDXAG-BRWVUGGUSA-N 2 2 336.480 2.276 10 0 EEAELP C[C@@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267955683 1180834323 /nfs/dbraw/zinc/83/43/23/1180834323.db2.gz CZZQOMYCWWSGOL-GDBMZVCRSA-N 2 2 336.455 2.091 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CCc1cccs1 ZINC001267990356 1180928358 /nfs/dbraw/zinc/92/83/58/1180928358.db2.gz JGURIJNNTXDTGF-LSDHHAIUSA-N 2 2 346.500 2.092 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]C/C=C/c1ccccc1 ZINC001268011167 1180970244 /nfs/dbraw/zinc/97/02/44/1180970244.db2.gz SLKZMINRBRLNOP-FSNWXROXSA-N 2 2 326.444 2.018 10 0 EEAELP Cc1cccnc1C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001481354969 1181108388 /nfs/dbraw/zinc/10/83/88/1181108388.db2.gz PMNGTNJHOHGBEP-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP Cc1cccnc1C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001481354969 1181108394 /nfs/dbraw/zinc/10/83/94/1181108394.db2.gz PMNGTNJHOHGBEP-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001481403352 1181225419 /nfs/dbraw/zinc/22/54/19/1181225419.db2.gz OTLLUNDLFMUUJZ-OAHLLOKOSA-N 2 2 347.488 2.161 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001481403352 1181225422 /nfs/dbraw/zinc/22/54/22/1181225422.db2.gz OTLLUNDLFMUUJZ-OAHLLOKOSA-N 2 2 347.488 2.161 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268192089 1181985408 /nfs/dbraw/zinc/98/54/08/1181985408.db2.gz LQTAYNNQLKNQCS-DGCLKSJQSA-N 2 2 332.370 2.121 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/Cl ZINC001481684524 1182204119 /nfs/dbraw/zinc/20/41/19/1182204119.db2.gz PRGXIFSYXLRFKL-MCXNIAKKSA-N 2 2 325.884 2.290 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/Cl ZINC001481684524 1182204128 /nfs/dbraw/zinc/20/41/28/1182204128.db2.gz PRGXIFSYXLRFKL-MCXNIAKKSA-N 2 2 325.884 2.290 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001481753040 1182552968 /nfs/dbraw/zinc/55/29/68/1182552968.db2.gz NNGSRIONKDXIJH-HNNXBMFYSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001481753040 1182552974 /nfs/dbraw/zinc/55/29/74/1182552974.db2.gz NNGSRIONKDXIJH-HNNXBMFYSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001481753040 1182552980 /nfs/dbraw/zinc/55/29/80/1182552980.db2.gz NNGSRIONKDXIJH-HNNXBMFYSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001481753040 1182552984 /nfs/dbraw/zinc/55/29/84/1182552984.db2.gz NNGSRIONKDXIJH-HNNXBMFYSA-N 2 2 339.430 2.338 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CCc2c[nH+]cn2C)c(C)s1 ZINC001268421943 1182586171 /nfs/dbraw/zinc/58/61/71/1182586171.db2.gz WMEHTQYKJKLFLD-LBPRGKRZSA-N 2 2 349.504 2.111 10 0 EEAELP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001481768868 1182653328 /nfs/dbraw/zinc/65/33/28/1182653328.db2.gz UBCJBXNHVSJWAW-DLBZAZTESA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001481768868 1182653331 /nfs/dbraw/zinc/65/33/31/1182653331.db2.gz UBCJBXNHVSJWAW-DLBZAZTESA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001481768868 1182653339 /nfs/dbraw/zinc/65/33/39/1182653339.db2.gz UBCJBXNHVSJWAW-DLBZAZTESA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001481768868 1182653345 /nfs/dbraw/zinc/65/33/45/1182653345.db2.gz UBCJBXNHVSJWAW-DLBZAZTESA-N 2 2 348.491 2.280 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)Cc2c[nH+]cn2C)c1 ZINC001268613458 1183526535 /nfs/dbraw/zinc/52/65/35/1183526535.db2.gz NGDRAGRCQBGNEQ-PLNGDYQASA-N 2 2 326.444 2.042 10 0 EEAELP C[C@H](C[NH2+]CCCC1CCOCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268650948 1183580251 /nfs/dbraw/zinc/58/02/51/1183580251.db2.gz FLBBEGHOAAVLFE-CQSZACIVSA-N 2 2 344.459 2.478 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268664836 1183595345 /nfs/dbraw/zinc/59/53/45/1183595345.db2.gz KAPQMRHJWRQEKJ-HKFHSAMXSA-N 2 2 326.444 2.396 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268664836 1183595348 /nfs/dbraw/zinc/59/53/48/1183595348.db2.gz KAPQMRHJWRQEKJ-HKFHSAMXSA-N 2 2 326.444 2.396 10 0 EEAELP COCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268757845 1183672132 /nfs/dbraw/zinc/67/21/32/1183672132.db2.gz FAFVGZJGWHQGLM-IAGOWNOFSA-N 2 2 344.459 2.167 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269252301 1184103850 /nfs/dbraw/zinc/10/38/50/1184103850.db2.gz XIZJTUHKLGNUGP-SJORKVTESA-N 2 2 336.480 2.040 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269252301 1184103854 /nfs/dbraw/zinc/10/38/54/1184103854.db2.gz XIZJTUHKLGNUGP-SJORKVTESA-N 2 2 336.480 2.040 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)cs1 ZINC001269293370 1184144751 /nfs/dbraw/zinc/14/47/51/1184144751.db2.gz VZLAUARMPHKRSR-INIZCTEOSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)cs1 ZINC001269293370 1184144754 /nfs/dbraw/zinc/14/47/54/1184144754.db2.gz VZLAUARMPHKRSR-INIZCTEOSA-N 2 2 338.521 2.216 10 0 EEAELP O=C(NCC1([NH2+]CCC[C@H]2CCOC2)CC1)c1cccc2[nH+]ccn21 ZINC001269451010 1184277887 /nfs/dbraw/zinc/27/78/87/1184277887.db2.gz IZTLMUZUFAXASU-HNNXBMFYSA-N 2 2 342.443 2.003 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CCC(F)(F)F ZINC001270453620 1185106805 /nfs/dbraw/zinc/10/68/05/1185106805.db2.gz YNNZKTLXACKBAD-LLVKDONJSA-N 2 2 328.338 2.242 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482298403 1185181442 /nfs/dbraw/zinc/18/14/42/1185181442.db2.gz SIKRTGRYBAXLDA-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482298403 1185181448 /nfs/dbraw/zinc/18/14/48/1185181448.db2.gz SIKRTGRYBAXLDA-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482301528 1185213888 /nfs/dbraw/zinc/21/38/88/1185213888.db2.gz NWWFMWYSCIXGCE-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH+]cn2C)cc1 ZINC001482360618 1185507449 /nfs/dbraw/zinc/50/74/49/1185507449.db2.gz DQXZDJLLFHYXRO-QGZVFWFLSA-N 2 2 342.487 2.340 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cc1 ZINC001271674044 1186366854 /nfs/dbraw/zinc/36/68/54/1186366854.db2.gz RFLUIEIJJYQNMG-WMZOPIPTSA-N 2 2 340.471 2.187 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1c(F)cccc1F ZINC001482571162 1186909168 /nfs/dbraw/zinc/90/91/68/1186909168.db2.gz JDKRSNHTXBLYGT-MRXNPFEDSA-N 2 2 336.386 2.092 10 0 EEAELP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272791322 1193500477 /nfs/dbraw/zinc/50/04/77/1193500477.db2.gz QGWLJVOTPNGYIM-PBHICJAKSA-N 2 2 333.480 2.241 10 0 EEAELP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001272791322 1193500478 /nfs/dbraw/zinc/50/04/78/1193500478.db2.gz QGWLJVOTPNGYIM-PBHICJAKSA-N 2 2 333.480 2.241 10 0 EEAELP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691621799 1188320967 /nfs/dbraw/zinc/32/09/67/1188320967.db2.gz YYHNJLGCIORSML-QGZVFWFLSA-N 2 2 336.480 2.130 10 0 EEAELP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691621799 1188320969 /nfs/dbraw/zinc/32/09/69/1188320969.db2.gz YYHNJLGCIORSML-QGZVFWFLSA-N 2 2 336.480 2.130 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272224061 1188378152 /nfs/dbraw/zinc/37/81/52/1188378152.db2.gz KXNQCMCXLXVAPL-CVEARBPZSA-N 2 2 348.491 2.037 10 0 EEAELP COCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001272224061 1188378154 /nfs/dbraw/zinc/37/81/54/1188378154.db2.gz KXNQCMCXLXVAPL-CVEARBPZSA-N 2 2 348.491 2.037 10 0 EEAELP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001483086304 1188449453 /nfs/dbraw/zinc/44/94/53/1188449453.db2.gz JJFLQUQRVGCSFV-GFUIURDCSA-N 2 2 344.912 2.145 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2cncc(F)c2)c[nH+]1 ZINC001272855791 1193578512 /nfs/dbraw/zinc/57/85/12/1193578512.db2.gz UGBPQGVTTJDBGJ-CYBMUJFWSA-N 2 2 347.438 2.145 10 0 EEAELP C[C@H](CN(C)C(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001485885775 1193629460 /nfs/dbraw/zinc/62/94/60/1193629460.db2.gz QMUXOJFCTVAQRB-GFCCVEGCSA-N 2 2 335.839 2.027 10 0 EEAELP Cc1nocc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001485888740 1193630720 /nfs/dbraw/zinc/63/07/20/1193630720.db2.gz RGASEFGYOXYRER-RHSMWYFYSA-N 2 2 347.463 2.403 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001485907508 1193636141 /nfs/dbraw/zinc/63/61/41/1193636141.db2.gz YQJPEAJYTZUVJC-JKSUJKDBSA-N 2 2 344.459 2.480 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001485929455 1193649039 /nfs/dbraw/zinc/64/90/39/1193649039.db2.gz XPKRGMYOVHAPME-CHWSQXEVSA-N 2 2 335.477 2.236 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483242453 1190270656 /nfs/dbraw/zinc/27/06/56/1190270656.db2.gz JWDVBOGWTITFPC-ZFWWWQNUSA-N 2 2 346.862 2.393 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001483347130 1190382645 /nfs/dbraw/zinc/38/26/45/1190382645.db2.gz HUIHMWUBXGFLTR-YOEHRIQHSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001483347130 1190382650 /nfs/dbraw/zinc/38/26/50/1190382650.db2.gz HUIHMWUBXGFLTR-YOEHRIQHSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483347130 1190382656 /nfs/dbraw/zinc/38/26/56/1190382656.db2.gz HUIHMWUBXGFLTR-YOEHRIQHSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001483347130 1190382660 /nfs/dbraw/zinc/38/26/60/1190382660.db2.gz HUIHMWUBXGFLTR-YOEHRIQHSA-N 2 2 348.491 2.327 10 0 EEAELP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483359555 1190403178 /nfs/dbraw/zinc/40/31/78/1190403178.db2.gz XIJFTKSQGBSALK-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483359555 1190403180 /nfs/dbraw/zinc/40/31/80/1190403180.db2.gz XIJFTKSQGBSALK-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP CCOC1CC(C[N@@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001409857673 1190703456 /nfs/dbraw/zinc/70/34/56/1190703456.db2.gz WHAKAQFXIXYACL-ADKAHSJRSA-N 2 2 348.491 2.059 10 0 EEAELP CCOC1CC(C[N@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001409857673 1190703457 /nfs/dbraw/zinc/70/34/57/1190703457.db2.gz WHAKAQFXIXYACL-ADKAHSJRSA-N 2 2 348.491 2.059 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001272322227 1190760664 /nfs/dbraw/zinc/76/06/64/1190760664.db2.gz IXVIJWSUTWJJAI-MSOLQXFVSA-N 2 2 340.471 2.460 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1)[NH+]1CCCCC1 ZINC001483709839 1190791009 /nfs/dbraw/zinc/79/10/09/1190791009.db2.gz ORHSZVYROCOQRH-OALUTQOASA-N 2 2 344.503 2.283 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1)[NH+]1CCCCC1 ZINC001483709839 1190791010 /nfs/dbraw/zinc/79/10/10/1190791010.db2.gz ORHSZVYROCOQRH-OALUTQOASA-N 2 2 344.503 2.283 10 0 EEAELP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccn1 ZINC001483830298 1191066308 /nfs/dbraw/zinc/06/63/08/1191066308.db2.gz JKBIDUBGFCGMJZ-KDURUIRLSA-N 2 2 344.503 2.379 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccn1 ZINC001483830298 1191066311 /nfs/dbraw/zinc/06/63/11/1191066311.db2.gz JKBIDUBGFCGMJZ-KDURUIRLSA-N 2 2 344.503 2.379 10 0 EEAELP CCC[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccn1 ZINC001483830298 1191066313 /nfs/dbraw/zinc/06/63/13/1191066313.db2.gz JKBIDUBGFCGMJZ-KDURUIRLSA-N 2 2 344.503 2.379 10 0 EEAELP CCC[NH+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccn1 ZINC001483830298 1191066314 /nfs/dbraw/zinc/06/63/14/1191066314.db2.gz JKBIDUBGFCGMJZ-KDURUIRLSA-N 2 2 344.503 2.379 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001483974736 1191137724 /nfs/dbraw/zinc/13/77/24/1191137724.db2.gz PDXKEYCWPRSSLJ-INIZCTEOSA-N 2 2 348.491 2.191 10 0 EEAELP Cc1nsc(C)c1C[N@@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484053946 1191176864 /nfs/dbraw/zinc/17/68/64/1191176864.db2.gz KBMFHEQIKYBOOI-KRWDZBQOSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1nsc(C)c1C[N@H+]1CC[C@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484053946 1191176867 /nfs/dbraw/zinc/17/68/67/1191176867.db2.gz KBMFHEQIKYBOOI-KRWDZBQOSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@](C)(NC(=O)Cn3cc[nH+]c3C(C)C)C2)o1 ZINC001484060494 1191182098 /nfs/dbraw/zinc/18/20/98/1191182098.db2.gz JPYOXJYRNFEKGG-SFHVURJKSA-N 2 2 345.447 2.084 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@](C)(NC(=O)Cn3cc[nH+]c3C(C)C)C2)o1 ZINC001484060494 1191182100 /nfs/dbraw/zinc/18/21/00/1191182100.db2.gz JPYOXJYRNFEKGG-SFHVURJKSA-N 2 2 345.447 2.084 10 0 EEAELP CCCCOCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001484411508 1191338744 /nfs/dbraw/zinc/33/87/44/1191338744.db2.gz NOGCWRFUEDYXQL-KURKYZTESA-N 2 2 348.491 2.041 10 0 EEAELP CCCCOCC[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@H]2C1 ZINC001484411508 1191338746 /nfs/dbraw/zinc/33/87/46/1191338746.db2.gz NOGCWRFUEDYXQL-KURKYZTESA-N 2 2 348.491 2.041 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC001484618929 1191444291 /nfs/dbraw/zinc/44/42/91/1191444291.db2.gz JBSFMNYSGNYGNL-QGZVFWFLSA-N 2 2 342.443 2.002 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1ncc(Cl)s1 ZINC001484769335 1191512360 /nfs/dbraw/zinc/51/23/60/1191512360.db2.gz SPFFYECIEAEQLM-UHFFFAOYSA-N 2 2 346.928 2.417 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1ncc(Cl)s1 ZINC001484769335 1191512361 /nfs/dbraw/zinc/51/23/61/1191512361.db2.gz SPFFYECIEAEQLM-UHFFFAOYSA-N 2 2 346.928 2.417 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)CCC[N@H+](C)Cc1ncc(Cl)s1 ZINC001484769335 1191512362 /nfs/dbraw/zinc/51/23/62/1191512362.db2.gz SPFFYECIEAEQLM-UHFFFAOYSA-N 2 2 346.928 2.417 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)CCC[N@@H+](C)Cc1ncc(Cl)s1 ZINC001484769335 1191512364 /nfs/dbraw/zinc/51/23/64/1191512364.db2.gz SPFFYECIEAEQLM-UHFFFAOYSA-N 2 2 346.928 2.417 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCOCC1CCC1 ZINC001484983933 1191601664 /nfs/dbraw/zinc/60/16/64/1191601664.db2.gz XPFCBYXQJNGDMX-RDJZCZTQSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCOCC1CCC1 ZINC001484983933 1191601665 /nfs/dbraw/zinc/60/16/65/1191601665.db2.gz XPFCBYXQJNGDMX-RDJZCZTQSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCOCC1CCC1 ZINC001484983933 1191601667 /nfs/dbraw/zinc/60/16/67/1191601667.db2.gz XPFCBYXQJNGDMX-RDJZCZTQSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCOCC1CCC1 ZINC001484983933 1191601669 /nfs/dbraw/zinc/60/16/69/1191601669.db2.gz XPFCBYXQJNGDMX-RDJZCZTQSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCOCC1CCC1 ZINC001484983923 1191601733 /nfs/dbraw/zinc/60/17/33/1191601733.db2.gz XPFCBYXQJNGDMX-DOTOQJQBSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCOCC1CCC1 ZINC001484983923 1191601735 /nfs/dbraw/zinc/60/17/35/1191601735.db2.gz XPFCBYXQJNGDMX-DOTOQJQBSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCOCC1CCC1 ZINC001484983923 1191601737 /nfs/dbraw/zinc/60/17/37/1191601737.db2.gz XPFCBYXQJNGDMX-DOTOQJQBSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCOCC1CCC1 ZINC001484983923 1191601738 /nfs/dbraw/zinc/60/17/38/1191601738.db2.gz XPFCBYXQJNGDMX-DOTOQJQBSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1cc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001485312380 1191729477 /nfs/dbraw/zinc/72/94/77/1191729477.db2.gz IEYJPDNMLBICKI-CRAIPNDOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)on1 ZINC001485312380 1191729479 /nfs/dbraw/zinc/72/94/79/1191729479.db2.gz IEYJPDNMLBICKI-CRAIPNDOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)on1 ZINC001485312380 1191729481 /nfs/dbraw/zinc/72/94/81/1191729481.db2.gz IEYJPDNMLBICKI-CRAIPNDOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)on1 ZINC001485312380 1191729483 /nfs/dbraw/zinc/72/94/83/1191729483.db2.gz IEYJPDNMLBICKI-CRAIPNDOSA-N 2 2 348.491 2.327 10 0 EEAELP C[C@H](CC[NH2+]Cc1nsc2ccccc12)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273043369 1194347564 /nfs/dbraw/zinc/34/75/64/1194347564.db2.gz CNYQBNFVIBYWIW-GFCCVEGCSA-N 2 2 343.456 2.247 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001273066246 1194365625 /nfs/dbraw/zinc/36/56/25/1194365625.db2.gz BPGNKJCCPLMQDB-STQMWFEESA-N 2 2 349.866 2.321 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001273066246 1194365628 /nfs/dbraw/zinc/36/56/28/1194365628.db2.gz BPGNKJCCPLMQDB-STQMWFEESA-N 2 2 349.866 2.321 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)o1 ZINC001410015530 1197228023 /nfs/dbraw/zinc/22/80/23/1197228023.db2.gz IUDSQMODMKVVKF-GJZGRUSLSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)o1 ZINC001410015530 1197228025 /nfs/dbraw/zinc/22/80/25/1197228025.db2.gz IUDSQMODMKVVKF-GJZGRUSLSA-N 2 2 348.491 2.355 10 0 EEAELP [NH3+]C[C@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)C[C@@H]1C(F)(F)F ZINC000872147356 1198054964 /nfs/dbraw/zinc/05/49/64/1198054964.db2.gz IBLSOKYUCOOLBP-RYUDHWBXSA-N 2 2 342.365 2.201 10 0 EEAELP [NH3+]C[C@H]1C[N@@H+](CCCn2c3ccccc3[nH]c2=O)C[C@@H]1C(F)(F)F ZINC000872147356 1198054973 /nfs/dbraw/zinc/05/49/73/1198054973.db2.gz IBLSOKYUCOOLBP-RYUDHWBXSA-N 2 2 342.365 2.201 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[NH2+]CCC3(C)C)cn2c1 ZINC000872297738 1198135163 /nfs/dbraw/zinc/13/51/63/1198135163.db2.gz USHBTJUXSNWHBS-UHFFFAOYSA-N 2 2 346.500 2.476 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001410965704 1198645629 /nfs/dbraw/zinc/64/56/29/1198645629.db2.gz VGNFXGXTRQDJQV-HOCLYGCPSA-N 2 2 346.500 2.489 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000870979779 1200987619 /nfs/dbraw/zinc/98/76/19/1200987619.db2.gz RMTXXFWGDWEPIR-LJQANCHMSA-N 2 2 338.455 2.329 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000870979779 1200987629 /nfs/dbraw/zinc/98/76/29/1200987629.db2.gz RMTXXFWGDWEPIR-LJQANCHMSA-N 2 2 338.455 2.329 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C(C)(C)C ZINC000880612398 1201542025 /nfs/dbraw/zinc/54/20/25/1201542025.db2.gz JZFLDLJCGDDSEC-MRXNPFEDSA-N 2 2 334.464 2.073 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1C(C)(C)C ZINC000880612398 1201542029 /nfs/dbraw/zinc/54/20/29/1201542029.db2.gz JZFLDLJCGDDSEC-MRXNPFEDSA-N 2 2 334.464 2.073 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)C(C)(F)F)C2)CC1 ZINC000868288678 1201784062 /nfs/dbraw/zinc/78/40/62/1201784062.db2.gz DSICQCKPMFFIRY-CYBMUJFWSA-N 2 2 346.466 2.136 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC(C)(C)C(C)(F)F)C2)CC1 ZINC000868288678 1201784063 /nfs/dbraw/zinc/78/40/63/1201784063.db2.gz DSICQCKPMFFIRY-CYBMUJFWSA-N 2 2 346.466 2.136 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]Cc1ccon1 ZINC001691732167 1204238856 /nfs/dbraw/zinc/23/88/56/1204238856.db2.gz JTXSRHCKTGSTOH-SUMWQHHRSA-N 2 2 345.447 2.056 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001691729010 1204241206 /nfs/dbraw/zinc/24/12/06/1204241206.db2.gz VKQJINAYNRNQLH-NVXWUHKLSA-N 2 2 345.447 2.068 10 0 EEAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC=CC[NH2+]CCC(C)(C)C)[nH]n1 ZINC001274050157 1204347468 /nfs/dbraw/zinc/34/74/68/1204347468.db2.gz YRCANZSIHKNXTK-RTRPANQVSA-N 2 2 347.507 2.488 10 0 EEAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC=CC[NH2+]CCC(C)(C)C)[nH]n1 ZINC001274050157 1204347469 /nfs/dbraw/zinc/34/74/69/1204347469.db2.gz YRCANZSIHKNXTK-RTRPANQVSA-N 2 2 347.507 2.488 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001274445263 1205040273 /nfs/dbraw/zinc/04/02/73/1205040273.db2.gz HALNVTFUBXUHRI-MRXNPFEDSA-N 2 2 344.459 2.201 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001274445263 1205040275 /nfs/dbraw/zinc/04/02/75/1205040275.db2.gz HALNVTFUBXUHRI-MRXNPFEDSA-N 2 2 344.459 2.201 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ncc(C)o1 ZINC001274607966 1205095003 /nfs/dbraw/zinc/09/50/03/1205095003.db2.gz BSWQXNYLNCEKHQ-SHUKXNKTSA-N 2 2 334.464 2.180 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1ncc(C)o1 ZINC001274607969 1205095095 /nfs/dbraw/zinc/09/50/95/1205095095.db2.gz BSWQXNYLNCEKHQ-YCZSJOHXSA-N 2 2 334.464 2.180 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)oc1C ZINC001274611650 1205097650 /nfs/dbraw/zinc/09/76/50/1205097650.db2.gz VPRJNHMQWZUHCA-DUMMIQTOSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001275501114 1205386985 /nfs/dbraw/zinc/38/69/85/1205386985.db2.gz ADLPKKPXLCHGNH-QWHCGFSZSA-N 2 2 326.400 2.381 10 0 EEAELP COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000925828756 1206157931 /nfs/dbraw/zinc/15/79/31/1206157931.db2.gz IAJJZDAHNHGWBI-FZMZJTMJSA-N 2 2 343.265 2.314 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842480 1206159282 /nfs/dbraw/zinc/15/92/82/1206159282.db2.gz JWSHOTJPDOSNLU-GSEOLPGOSA-N 3 2 328.504 2.414 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842480 1206159283 /nfs/dbraw/zinc/15/92/83/1206159283.db2.gz JWSHOTJPDOSNLU-GSEOLPGOSA-N 3 2 328.504 2.414 10 0 EEAELP C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926332395 1206214045 /nfs/dbraw/zinc/21/40/45/1206214045.db2.gz XOGYCGIFJSOPBB-UJHNXHIOSA-N 2 2 347.425 2.439 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+](C)[C@H]3C)c2)cc[nH+]1 ZINC000928436568 1206383994 /nfs/dbraw/zinc/38/39/94/1206383994.db2.gz JNPGHYNTRMTQIM-SUMWQHHRSA-N 2 2 339.443 2.220 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@H]3C)c2)cc[nH+]1 ZINC000928436568 1206383996 /nfs/dbraw/zinc/38/39/96/1206383996.db2.gz JNPGHYNTRMTQIM-SUMWQHHRSA-N 2 2 339.443 2.220 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931106531 1206607479 /nfs/dbraw/zinc/60/74/79/1206607479.db2.gz KCCXKSWOAXFQRK-UHFFFAOYSA-N 2 2 329.448 2.259 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931106531 1206607480 /nfs/dbraw/zinc/60/74/80/1206607480.db2.gz KCCXKSWOAXFQRK-UHFFFAOYSA-N 2 2 329.448 2.259 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741288 1207831323 /nfs/dbraw/zinc/83/13/23/1207831323.db2.gz SYXJJFNSNASNCC-QBIMZIAESA-N 2 2 333.863 2.329 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741288 1207831324 /nfs/dbraw/zinc/83/13/24/1207831324.db2.gz SYXJJFNSNASNCC-QBIMZIAESA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741288 1207831325 /nfs/dbraw/zinc/83/13/25/1207831325.db2.gz SYXJJFNSNASNCC-QBIMZIAESA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@]2(C)C1 ZINC000933741288 1207831326 /nfs/dbraw/zinc/83/13/26/1207831326.db2.gz SYXJJFNSNASNCC-QBIMZIAESA-N 2 2 333.863 2.329 10 0 EEAELP CN(CCC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)Cc1c[nH+]cn1C ZINC001276333751 1215754696 /nfs/dbraw/zinc/75/46/96/1215754696.db2.gz VOARCNWINRLZEH-UHFFFAOYSA-N 2 2 340.471 2.090 10 0 EEAELP CCCN(CC[NH+](C)C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900586194 1234519749 /nfs/dbraw/zinc/51/97/49/1234519749.db2.gz JQFDOSFMVKMNAE-UHFFFAOYSA-N 2 2 343.475 2.409 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000903439340 1240476652 /nfs/dbraw/zinc/47/66/52/1240476652.db2.gz GJFWMHQTNOOINZ-HFTRVMKXSA-N 2 2 343.471 2.270 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000903439340 1240476656 /nfs/dbraw/zinc/47/66/56/1240476656.db2.gz GJFWMHQTNOOINZ-HFTRVMKXSA-N 2 2 343.471 2.270 10 0 EEAELP COc1ccc(C[N@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000903929860 1242540039 /nfs/dbraw/zinc/54/00/39/1242540039.db2.gz NAIDMSYXJYRMME-CQSZACIVSA-N 2 2 349.866 2.497 10 0 EEAELP COc1ccc(C[N@@H+](C)Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000903929860 1242540049 /nfs/dbraw/zinc/54/00/49/1242540049.db2.gz NAIDMSYXJYRMME-CQSZACIVSA-N 2 2 349.866 2.497 10 0 EEAELP CCOc1cc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)ccc1OC ZINC000903973156 1242808412 /nfs/dbraw/zinc/80/84/12/1242808412.db2.gz ADWBAXYKAHFQPU-INIZCTEOSA-N 2 2 334.460 2.342 10 0 EEAELP CC(C)C[C@@H]([NH3+])C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000903986777 1242880093 /nfs/dbraw/zinc/88/00/93/1242880093.db2.gz RXNWBLSSBSMRKK-OAHLLOKOSA-N 2 2 331.460 2.017 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001490457339 1291396130 /nfs/dbraw/zinc/39/61/30/1291396130.db2.gz MMGNAJDZUJGIRX-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001490457339 1291396147 /nfs/dbraw/zinc/39/61/47/1291396147.db2.gz MMGNAJDZUJGIRX-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnns3)C2)ccn1 ZINC000856584027 1293573223 /nfs/dbraw/zinc/57/32/23/1293573223.db2.gz CHDUFCXMHQSXHZ-HNNXBMFYSA-N 2 2 333.461 2.038 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnns3)C2)ccn1 ZINC000856584027 1293573227 /nfs/dbraw/zinc/57/32/27/1293573227.db2.gz CHDUFCXMHQSXHZ-HNNXBMFYSA-N 2 2 333.461 2.038 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnns3)C2)ccn1 ZINC000856584027 1293573229 /nfs/dbraw/zinc/57/32/29/1293573229.db2.gz CHDUFCXMHQSXHZ-HNNXBMFYSA-N 2 2 333.461 2.038 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnns3)C2)ccn1 ZINC000856584027 1293573233 /nfs/dbraw/zinc/57/32/33/1293573233.db2.gz CHDUFCXMHQSXHZ-HNNXBMFYSA-N 2 2 333.461 2.038 10 0 EEAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CCCc4c[nH]nc43)[nH+]c2)C1 ZINC000857861533 1293933749 /nfs/dbraw/zinc/93/37/49/1293933749.db2.gz SAKPHUPWEIXXOD-HZPDHXFCSA-N 2 2 326.448 2.435 10 0 EEAELP Cc1ccc(F)c2[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000862172078 1295735316 /nfs/dbraw/zinc/73/53/16/1295735316.db2.gz OYLOGEBNYMIEOF-UHFFFAOYSA-N 2 2 334.439 2.229 10 0 EEAELP Cc1ccc(F)c2[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000862172078 1295735324 /nfs/dbraw/zinc/73/53/24/1295735324.db2.gz OYLOGEBNYMIEOF-UHFFFAOYSA-N 2 2 334.439 2.229 10 0 EEAELP O=C1COc2ccccc2CN1CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926883642 1296952167 /nfs/dbraw/zinc/95/21/67/1296952167.db2.gz NYGUWAJESJREFU-ROUUACIJSA-N 2 2 343.471 2.014 10 0 EEAELP O=C1COc2ccccc2CN1CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926883642 1296952173 /nfs/dbraw/zinc/95/21/73/1296952173.db2.gz NYGUWAJESJREFU-ROUUACIJSA-N 2 2 343.471 2.014 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(F)(F)C(F)F)C[C@@H]1C ZINC001277777980 1304395570 /nfs/dbraw/zinc/39/55/70/1304395570.db2.gz YOCXITYEJGFIEX-NWDGAFQWSA-N 2 2 341.393 2.198 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001277964741 1305348318 /nfs/dbraw/zinc/34/83/18/1305348318.db2.gz HBRCFPAUFUMWLV-SFHVURJKSA-N 2 2 340.471 2.474 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCCC2CCOCC2)C1 ZINC001278595644 1317310832 /nfs/dbraw/zinc/31/08/32/1317310832.db2.gz XILRCTWYLOEZJJ-IRXDYDNUSA-N 2 2 348.491 2.034 10 0 EEAELP Cc1cccc(NCCNC(=O)c2ccc(C[NH+]3CCCC3)o2)[nH+]1 ZINC001156470944 1318027674 /nfs/dbraw/zinc/02/76/74/1318027674.db2.gz WGFKOULHCRUBJP-UHFFFAOYSA-N 2 2 328.416 2.421 10 0 EEAELP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265001013 1322848252 /nfs/dbraw/zinc/84/82/52/1322848252.db2.gz LKEKZCXZRRGWLJ-UHFFFAOYSA-N 2 2 341.415 2.420 10 0 EEAELP Cc1noc(C)c1C[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265001013 1322848256 /nfs/dbraw/zinc/84/82/56/1322848256.db2.gz LKEKZCXZRRGWLJ-UHFFFAOYSA-N 2 2 341.415 2.420 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc2ccnc(Cl)c2)c[nH+]1 ZINC001265790111 1323381871 /nfs/dbraw/zinc/38/18/71/1323381871.db2.gz GMWPQWOPYOJWSH-GFCCVEGCSA-N 2 2 349.866 2.270 10 0 EEAELP Cc1nocc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001266219532 1323790001 /nfs/dbraw/zinc/79/00/01/1323790001.db2.gz GVYRIURMGOGEFB-KRWDZBQOSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1nocc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001266219532 1323790006 /nfs/dbraw/zinc/79/00/06/1323790006.db2.gz GVYRIURMGOGEFB-KRWDZBQOSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1nocc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001266219532 1323790013 /nfs/dbraw/zinc/79/00/13/1323790013.db2.gz GVYRIURMGOGEFB-KRWDZBQOSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1nocc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001266219532 1323790017 /nfs/dbraw/zinc/79/00/17/1323790017.db2.gz GVYRIURMGOGEFB-KRWDZBQOSA-N 2 2 345.447 2.200 10 0 EEAELP CC/C=C/CC[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CCO2 ZINC001280900509 1324622536 /nfs/dbraw/zinc/62/25/36/1324622536.db2.gz WTMMDEDOHBZSHI-WRFKIARRSA-N 2 2 349.519 2.130 10 0 EEAELP CC/C=C/CC[NH+]1CC2(C1)CN(C(=O)CC[C@@H]1CCC[N@H+]1C)CCO2 ZINC001280900509 1324622540 /nfs/dbraw/zinc/62/25/40/1324622540.db2.gz WTMMDEDOHBZSHI-WRFKIARRSA-N 2 2 349.519 2.130 10 0 EEAELP COCCCC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001276607066 1324756167 /nfs/dbraw/zinc/75/61/67/1324756167.db2.gz GJGOUSNVLDYJHR-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP COCCCC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001276607066 1324756170 /nfs/dbraw/zinc/75/61/70/1324756170.db2.gz GJGOUSNVLDYJHR-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)Cc2c[nH+]cn2C)cc1F ZINC001283259558 1325975739 /nfs/dbraw/zinc/97/57/39/1325975739.db2.gz HZEBOCGBDDJFRL-HNNXBMFYSA-N 2 2 346.450 2.485 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCc2ccsc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001283939075 1326329318 /nfs/dbraw/zinc/32/93/18/1326329318.db2.gz LLNOPOHNEKJPKU-ZBFHGGJFSA-N 2 2 332.473 2.156 10 0 EEAELP Cc1cccn2cc(CC(=O)NCC3=CC[N@H+](CC4CC4)CC3)[nH+]c12 ZINC001284967749 1326800532 /nfs/dbraw/zinc/80/05/32/1326800532.db2.gz SEKOGNJESGRLCI-UHFFFAOYSA-N 2 2 338.455 2.344 10 0 EEAELP Cc1cccn2cc(CC(=O)NCC3=CC[N@@H+](CC4CC4)CC3)[nH+]c12 ZINC001284967749 1326800535 /nfs/dbraw/zinc/80/05/35/1326800535.db2.gz SEKOGNJESGRLCI-UHFFFAOYSA-N 2 2 338.455 2.344 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nccs1)c1ccccc1 ZINC001491641545 1330194488 /nfs/dbraw/zinc/19/44/88/1330194488.db2.gz SQRVINCAFLNQOC-YOEHRIQHSA-N 2 2 346.500 2.430 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1nccs1)c1ccccc1 ZINC001491641545 1330194490 /nfs/dbraw/zinc/19/44/90/1330194490.db2.gz SQRVINCAFLNQOC-YOEHRIQHSA-N 2 2 346.500 2.430 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001316769331 1331882936 /nfs/dbraw/zinc/88/29/36/1331882936.db2.gz ANHJCOCEAHTIIA-INIZCTEOSA-N 2 2 336.480 2.128 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001317061441 1332065519 /nfs/dbraw/zinc/06/55/19/1332065519.db2.gz RUJCMRDNANXCJX-IBGZPJMESA-N 2 2 340.471 2.405 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)no1 ZINC001317187652 1332121661 /nfs/dbraw/zinc/12/16/61/1332121661.db2.gz HEQNVSFODXVFMM-IYNGYCSASA-N 2 2 340.855 2.073 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N2CCCC[C@@H]2C[NH2+]C/C=C\Cl)no1 ZINC001317187653 1332121778 /nfs/dbraw/zinc/12/17/78/1332121778.db2.gz HEQNVSFODXVFMM-SCXUMTSISA-N 2 2 340.855 2.073 10 0 EEAELP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001317596907 1332317086 /nfs/dbraw/zinc/31/70/86/1332317086.db2.gz SAMIQWIEXKWMSF-INIZCTEOSA-N 2 2 333.436 2.015 10 0 EEAELP C[C@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001319486267 1332710403 /nfs/dbraw/zinc/71/04/03/1332710403.db2.gz MMWLIMCTASBXCQ-VXGBXAGGSA-N 2 2 345.274 2.201 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001320152633 1332839718 /nfs/dbraw/zinc/83/97/18/1332839718.db2.gz VCQQYFHGYBIFGU-CHWSQXEVSA-N 2 2 332.370 2.100 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC=C(Cl)Cl)[C@@H]1CCn2c[nH+]cc2C1 ZINC001321125173 1333025476 /nfs/dbraw/zinc/02/54/76/1333025476.db2.gz JEWPJPIEJQZMCM-UDSFMNFJSA-N 2 2 343.258 2.027 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1 ZINC001321336789 1333077593 /nfs/dbraw/zinc/07/75/93/1333077593.db2.gz NBCLHIKEHKORCN-NSCUHMNNSA-N 2 2 330.476 2.195 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001321431629 1333103715 /nfs/dbraw/zinc/10/37/15/1333103715.db2.gz HWISKLHPRXGFLY-STOZHHMFSA-N 2 2 346.381 2.111 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CCc1[nH+]ccn1C ZINC001322622160 1333295313 /nfs/dbraw/zinc/29/53/13/1333295313.db2.gz HJGLWQXWNSNRCH-IXDOHACOSA-N 2 2 332.492 2.227 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001324264713 1333645722 /nfs/dbraw/zinc/64/57/22/1333645722.db2.gz YOVOAKZKNOBTHS-ZDUSSCGKSA-N 2 2 345.274 2.252 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccn1)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001326490994 1334103509 /nfs/dbraw/zinc/10/35/09/1334103509.db2.gz VCDSEQIMATXRJL-MRXNPFEDSA-N 2 2 349.438 2.445 10 0 EEAELP CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001326635285 1334129361 /nfs/dbraw/zinc/12/93/61/1334129361.db2.gz VSGSATTVZHLXSO-OKZBNKHCSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001326635285 1334129363 /nfs/dbraw/zinc/12/93/63/1334129363.db2.gz VSGSATTVZHLXSO-OKZBNKHCSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001326635285 1334129364 /nfs/dbraw/zinc/12/93/64/1334129364.db2.gz VSGSATTVZHLXSO-OKZBNKHCSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001326635285 1334129367 /nfs/dbraw/zinc/12/93/67/1334129367.db2.gz VSGSATTVZHLXSO-OKZBNKHCSA-N 2 2 339.524 2.114 10 0 EEAELP O=C(NC1CC(C[NH2+]CCCCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001328879854 1334540099 /nfs/dbraw/zinc/54/00/99/1334540099.db2.gz OJRTXRYIKKJRGA-HWOWSKLDSA-N 2 2 336.455 2.070 10 0 EEAELP Cc1cncc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cccc3[nH+]ccn32)c1 ZINC001329087419 1334583259 /nfs/dbraw/zinc/58/32/59/1334583259.db2.gz TYAKKXQESYKOAJ-CABCVRRESA-N 2 2 337.427 2.334 10 0 EEAELP CC(C)=CC[NH+]1CC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001330000998 1334758623 /nfs/dbraw/zinc/75/86/23/1334758623.db2.gz SKEYNYUWGXMUTJ-OAHLLOKOSA-N 2 2 330.476 2.165 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001330322736 1334823162 /nfs/dbraw/zinc/82/31/62/1334823162.db2.gz XIHCODPJNUYGFS-ABRGIONYSA-N 2 2 330.476 2.003 10 0 EEAELP 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/nfs/dbraw/zinc/22/44/22/1090224422.db2.gz DOBNSGDTPXBEPB-MRXNPFEDSA-N 2 2 344.434 2.489 10 0 EEAELP C[N@H+](CCc1ccccc1F)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001437994331 1090593504 /nfs/dbraw/zinc/59/35/04/1090593504.db2.gz WCGUUJPOQCMZDN-MRXNPFEDSA-N 2 2 344.434 2.045 10 0 EEAELP C[N@@H+](CCc1ccccc1F)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001437994331 1090593508 /nfs/dbraw/zinc/59/35/08/1090593508.db2.gz WCGUUJPOQCMZDN-MRXNPFEDSA-N 2 2 344.434 2.045 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2nc(C)cs2)C1)[NH+](CC)CC ZINC001438196743 1090690766 /nfs/dbraw/zinc/69/07/66/1090690766.db2.gz GZBZMHWYIISBGP-LSDHHAIUSA-N 2 2 338.521 2.262 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1)[NH+](CC)CC ZINC001438196743 1090690768 /nfs/dbraw/zinc/69/07/68/1090690768.db2.gz GZBZMHWYIISBGP-LSDHHAIUSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1nc(C[NH2+]C[C@@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)sc1C ZINC001438429312 1090927578 /nfs/dbraw/zinc/92/75/78/1090927578.db2.gz RUQUVFRSCHMYIJ-QGZVFWFLSA-N 2 2 347.488 2.031 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)CCO1)n1cc[nH+]c1 ZINC001438574223 1091061054 /nfs/dbraw/zinc/06/10/54/1091061054.db2.gz FFYFMVWHKTUXFJ-NVXWUHKLSA-N 2 2 348.491 2.087 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1)n1cc[nH+]c1 ZINC001438574223 1091061061 /nfs/dbraw/zinc/06/10/61/1091061061.db2.gz FFYFMVWHKTUXFJ-NVXWUHKLSA-N 2 2 348.491 2.087 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)oc1C ZINC001438650780 1091137207 /nfs/dbraw/zinc/13/72/07/1091137207.db2.gz LEVPETWTVZXAJK-BBRMVZONSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)oc1C ZINC001438650780 1091137227 /nfs/dbraw/zinc/13/72/27/1091137227.db2.gz LEVPETWTVZXAJK-BBRMVZONSA-N 2 2 336.480 2.101 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)o1)c1ccccc1 ZINC001445477653 1091255699 /nfs/dbraw/zinc/25/56/99/1091255699.db2.gz AVIWYMMDUOZLEW-KDOFPFPSSA-N 2 2 344.459 2.270 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1ncc(C)o1)c1ccccc1 ZINC001445477653 1091255704 /nfs/dbraw/zinc/25/57/04/1091255704.db2.gz AVIWYMMDUOZLEW-KDOFPFPSSA-N 2 2 344.459 2.270 10 0 EEAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]Cc1cncs1 ZINC001438768197 1091346835 /nfs/dbraw/zinc/34/68/35/1091346835.db2.gz JIOGYDNFMUWYJH-GDBMZVCRSA-N 2 2 347.488 2.147 10 0 EEAELP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001445569064 1091347762 /nfs/dbraw/zinc/34/77/62/1091347762.db2.gz HISNBAAWJJEPSO-MAUKXSAKSA-N 2 2 340.471 2.302 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445772015 1091632110 /nfs/dbraw/zinc/63/21/10/1091632110.db2.gz WUOJSMDXFVETLW-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445772015 1091632114 /nfs/dbraw/zinc/63/21/14/1091632114.db2.gz WUOJSMDXFVETLW-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CCn2cc[nH+]c2)sn1 ZINC001438959730 1091652289 /nfs/dbraw/zinc/65/22/89/1091652289.db2.gz JRXIVMDCIXXQOS-HOCLYGCPSA-N 2 2 347.488 2.113 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439124815 1091767589 /nfs/dbraw/zinc/76/75/89/1091767589.db2.gz JLKNJVIAESLNLV-PIGZYNQJSA-N 2 2 348.397 2.402 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439124815 1091767597 /nfs/dbraw/zinc/76/75/97/1091767597.db2.gz JLKNJVIAESLNLV-PIGZYNQJSA-N 2 2 348.397 2.402 10 0 EEAELP C[C@@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001439250560 1091899561 /nfs/dbraw/zinc/89/95/61/1091899561.db2.gz ATXCZHWNIBTKLN-YNEHKIRRSA-N 2 2 348.397 2.096 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC(F)(F)F)[NH+]1CCCC1 ZINC001446131032 1092178299 /nfs/dbraw/zinc/17/82/99/1092178299.db2.gz UCJAQMVNKZRJDF-KBPBESRZSA-N 2 2 335.414 2.250 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1CCC(F)(F)F)[NH+]1CCCC1 ZINC001446131032 1092178302 /nfs/dbraw/zinc/17/83/02/1092178302.db2.gz UCJAQMVNKZRJDF-KBPBESRZSA-N 2 2 335.414 2.250 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001439545636 1092413543 /nfs/dbraw/zinc/41/35/43/1092413543.db2.gz IMTOSYDSBMSKEM-RDJZCZTQSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CC[C@H]2CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001439545636 1092413547 /nfs/dbraw/zinc/41/35/47/1092413547.db2.gz IMTOSYDSBMSKEM-RDJZCZTQSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001439545636 1092413556 /nfs/dbraw/zinc/41/35/56/1092413556.db2.gz IMTOSYDSBMSKEM-RDJZCZTQSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001439545636 1092413564 /nfs/dbraw/zinc/41/35/64/1092413564.db2.gz IMTOSYDSBMSKEM-RDJZCZTQSA-N 2 2 333.451 2.166 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276875 1092427505 /nfs/dbraw/zinc/42/75/05/1092427505.db2.gz NBTTUUWNQDYJCO-ZIAGYGMSSA-N 2 2 348.491 2.223 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276875 1092427519 /nfs/dbraw/zinc/42/75/19/1092427519.db2.gz NBTTUUWNQDYJCO-ZIAGYGMSSA-N 2 2 348.491 2.223 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)c(C)o1 ZINC001439619779 1092528081 /nfs/dbraw/zinc/52/80/81/1092528081.db2.gz DMYGVGQRKIEYII-WBVHZDCISA-N 2 2 346.475 2.047 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@H+]43)CC2)c(C)o1 ZINC001439619779 1092528095 /nfs/dbraw/zinc/52/80/95/1092528095.db2.gz DMYGVGQRKIEYII-WBVHZDCISA-N 2 2 346.475 2.047 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CCOc2cc(C)cc(C)c2)C1 ZINC001439750546 1092708260 /nfs/dbraw/zinc/70/82/60/1092708260.db2.gz IEDRYGJSXNSTFE-UHFFFAOYSA-N 2 2 347.503 2.167 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](CCOc2cc(C)cc(C)c2)C1 ZINC001439750546 1092708265 /nfs/dbraw/zinc/70/82/65/1092708265.db2.gz IEDRYGJSXNSTFE-UHFFFAOYSA-N 2 2 347.503 2.167 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@@](C)(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001439850926 1092866948 /nfs/dbraw/zinc/86/69/48/1092866948.db2.gz NJNARDRCDAFWTL-SCLBCKFNSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001439850926 1092866950 /nfs/dbraw/zinc/86/69/50/1092866950.db2.gz NJNARDRCDAFWTL-SCLBCKFNSA-N 2 2 345.447 2.220 10 0 EEAELP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001439887594 1092942522 /nfs/dbraw/zinc/94/25/22/1092942522.db2.gz HCHDUUFWQKADAZ-IBGZPJMESA-N 2 2 332.492 2.246 10 0 EEAELP C[C@]1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC[N@H+](CCCF)C1 ZINC001439934073 1093022653 /nfs/dbraw/zinc/02/26/53/1093022653.db2.gz RHDYZNKAUHTNQN-MAUKXSAKSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@]1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC[N@@H+](CCCF)C1 ZINC001439934073 1093022659 /nfs/dbraw/zinc/02/26/59/1093022659.db2.gz RHDYZNKAUHTNQN-MAUKXSAKSA-N 2 2 336.455 2.023 10 0 EEAELP CCC[N@@H+]1CCc2c(CNC(=O)CCc3[nH+]ccn3C)cccc2C1 ZINC001440260183 1093360529 /nfs/dbraw/zinc/36/05/29/1093360529.db2.gz ATFLPXOASSXYPH-UHFFFAOYSA-N 2 2 340.471 2.437 10 0 EEAELP CCC[N@H+]1CCc2c(CNC(=O)CCc3[nH+]ccn3C)cccc2C1 ZINC001440260183 1093360540 /nfs/dbraw/zinc/36/05/40/1093360540.db2.gz ATFLPXOASSXYPH-UHFFFAOYSA-N 2 2 340.471 2.437 10 0 EEAELP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](C/C(Cl)=C/Cl)C[C@]2(C)C1 ZINC001448489790 1093517142 /nfs/dbraw/zinc/51/71/42/1093517142.db2.gz RUXBSOOGPGKXIR-MXYRBXQYSA-N 2 2 348.318 2.428 10 0 EEAELP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@@H+](C/C(Cl)=C/Cl)C[C@]2(C)C1 ZINC001448489790 1093517146 /nfs/dbraw/zinc/51/71/46/1093517146.db2.gz RUXBSOOGPGKXIR-MXYRBXQYSA-N 2 2 348.318 2.428 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2coc(C)n2)[C@@H]1CC ZINC001440459592 1093678456 /nfs/dbraw/zinc/67/84/56/1093678456.db2.gz XNJWSUMGUQERBE-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2coc(C)n2)[C@@H]1CC ZINC001440459592 1093678458 /nfs/dbraw/zinc/67/84/58/1093678458.db2.gz XNJWSUMGUQERBE-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001440459592 1093678459 /nfs/dbraw/zinc/67/84/59/1093678459.db2.gz XNJWSUMGUQERBE-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2coc(C)n2)[C@@H]1CC ZINC001440459592 1093678461 /nfs/dbraw/zinc/67/84/61/1093678461.db2.gz XNJWSUMGUQERBE-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001440466961 1093691121 /nfs/dbraw/zinc/69/11/21/1093691121.db2.gz VITRQJDGIFPVQX-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@H](CC(=O)N[C@H]1CC[N@H+](CCC2CCOCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001440503143 1093745062 /nfs/dbraw/zinc/74/50/62/1093745062.db2.gz UCQMQDBFSAHEAS-NUJGCVRESA-N 2 2 348.491 2.230 10 0 EEAELP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCC2CCOCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001440503143 1093745069 /nfs/dbraw/zinc/74/50/69/1093745069.db2.gz UCQMQDBFSAHEAS-NUJGCVRESA-N 2 2 348.491 2.230 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCF)CC1(C)C)c1ccccc1 ZINC001440622425 1093890673 /nfs/dbraw/zinc/89/06/73/1093890673.db2.gz OERNAYZVKVFVCA-DLBZAZTESA-N 2 2 335.467 2.476 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cn2)[C@@H]1C ZINC001449024785 1094031489 /nfs/dbraw/zinc/03/14/89/1094031489.db2.gz FXSYQYUILSUUSN-PBHICJAKSA-N 2 2 336.455 2.030 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cn2)[C@@H]1C ZINC001449024785 1094031495 /nfs/dbraw/zinc/03/14/95/1094031495.db2.gz FXSYQYUILSUUSN-PBHICJAKSA-N 2 2 336.455 2.030 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC001449024785 1094031505 /nfs/dbraw/zinc/03/15/05/1094031505.db2.gz FXSYQYUILSUUSN-PBHICJAKSA-N 2 2 336.455 2.030 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CC=C(Cl)Cl ZINC001440807149 1094054547 /nfs/dbraw/zinc/05/45/47/1094054547.db2.gz DKCYSKAEDKXTGN-WDEREUQCSA-N 2 2 333.263 2.155 10 0 EEAELP CC[C@@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001449183054 1094148689 /nfs/dbraw/zinc/14/86/89/1094148689.db2.gz BJAYSXKVXRKOPI-PBHICJAKSA-N 2 2 346.475 2.054 10 0 EEAELP CC[C@@H](C)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001449183054 1094148692 /nfs/dbraw/zinc/14/86/92/1094148692.db2.gz BJAYSXKVXRKOPI-PBHICJAKSA-N 2 2 346.475 2.054 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC([C@@H](C)NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001441187138 1094546291 /nfs/dbraw/zinc/54/62/91/1094546291.db2.gz QRGQQTFJJIFZPK-ZIAGYGMSSA-N 2 2 342.443 2.159 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H]3C[C@H](C[NH2+]CC(C)C)C3)[nH+]c12 ZINC001441364356 1094885910 /nfs/dbraw/zinc/88/59/10/1094885910.db2.gz BETIAUVQDMIGJU-WKILWMFISA-N 2 2 328.460 2.326 10 0 EEAELP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001441380986 1094920311 /nfs/dbraw/zinc/92/03/11/1094920311.db2.gz FRIBNXAXTAUSNB-JKSUJKDBSA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001441380986 1094920323 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2.194 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001448341259 1104427602 /nfs/dbraw/zinc/42/76/02/1104427602.db2.gz UJLQKIHOOPLWRZ-JSGCOSHPSA-N 2 2 340.418 2.214 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001448341272 1104427645 /nfs/dbraw/zinc/42/76/45/1104427645.db2.gz UJLQKIHOOPLWRZ-TZMCWYRMSA-N 2 2 340.418 2.214 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001495078772 1104716501 /nfs/dbraw/zinc/71/65/01/1104716501.db2.gz COSIPQDPGWKOGA-QWHCGFSZSA-N 2 2 328.407 2.262 10 0 EEAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001450061910 1105183330 /nfs/dbraw/zinc/18/33/30/1105183330.db2.gz KOVYXAMMKLDZEJ-KBPBESRZSA-N 2 2 345.418 2.363 10 0 EEAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[N@H+]2C[C@@H](F)C[C@H]2C1 ZINC001450061910 1105183331 /nfs/dbraw/zinc/18/33/31/1105183331.db2.gz KOVYXAMMKLDZEJ-KBPBESRZSA-N 2 2 345.418 2.363 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC(C)(C)C1 ZINC001480775050 1107092041 /nfs/dbraw/zinc/09/20/41/1107092041.db2.gz YDVCLHPJFBNMCI-GDBMZVCRSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001480774897 1107093279 /nfs/dbraw/zinc/09/32/79/1107093279.db2.gz ULCCRJUUBBZHSF-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC(C)(C)C1 ZINC001480775052 1107093424 /nfs/dbraw/zinc/09/34/24/1107093424.db2.gz YDVCLHPJFBNMCI-HOCLYGCPSA-N 2 2 332.492 2.366 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1cccc(OC)c1 ZINC001493048748 1107390836 /nfs/dbraw/zinc/39/08/36/1107390836.db2.gz GWHZRHCHSYGBCZ-HNNXBMFYSA-N 2 2 344.459 2.469 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)[C@@H](C)c1cccc(OC)c1 ZINC001493048748 1107390853 /nfs/dbraw/zinc/39/08/53/1107390853.db2.gz GWHZRHCHSYGBCZ-HNNXBMFYSA-N 2 2 344.459 2.469 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+](Cc2cncc(F)c2)C1)n1cc[nH+]c1 ZINC001493239419 1107749531 /nfs/dbraw/zinc/74/95/31/1107749531.db2.gz ASOFEJDSNSMGAJ-LSDHHAIUSA-N 2 2 345.422 2.007 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1)n1cc[nH+]c1 ZINC001493239419 1107749545 /nfs/dbraw/zinc/74/95/45/1107749545.db2.gz ASOFEJDSNSMGAJ-LSDHHAIUSA-N 2 2 345.422 2.007 10 0 EEAELP COc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001498632604 1107849204 /nfs/dbraw/zinc/84/92/04/1107849204.db2.gz IVZBFBHKRJTWFZ-AWEZNQCLSA-N 2 2 330.432 2.160 10 0 EEAELP Cc1oncc1C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001493382579 1108032539 /nfs/dbraw/zinc/03/25/39/1108032539.db2.gz STWFRICUSDABDY-MSOLQXFVSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001493382579 1108032555 /nfs/dbraw/zinc/03/25/55/1108032555.db2.gz STWFRICUSDABDY-MSOLQXFVSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001493382579 1108032567 /nfs/dbraw/zinc/03/25/67/1108032567.db2.gz STWFRICUSDABDY-MSOLQXFVSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001493382579 1108032578 /nfs/dbraw/zinc/03/25/78/1108032578.db2.gz STWFRICUSDABDY-MSOLQXFVSA-N 2 2 346.475 2.081 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493601678 1108384891 /nfs/dbraw/zinc/38/48/91/1108384891.db2.gz XTLVKVYEMQKAMO-MTIYJEKLSA-N 2 2 338.455 2.207 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001499480453 1112312912 /nfs/dbraw/zinc/31/29/12/1112312912.db2.gz GXJLTBOJMLVZID-IRXDYDNUSA-N 2 2 348.491 2.082 10 0 EEAELP COCCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001499480453 1112312917 /nfs/dbraw/zinc/31/29/17/1112312917.db2.gz GXJLTBOJMLVZID-IRXDYDNUSA-N 2 2 348.491 2.082 10 0 EEAELP CC(C)(C)CCC[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001500593062 1112962939 /nfs/dbraw/zinc/96/29/39/1112962939.db2.gz VRGCPJGWXWURHJ-UHFFFAOYSA-N 2 2 336.480 2.034 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001501568149 1113385712 /nfs/dbraw/zinc/38/57/12/1113385712.db2.gz INADQJBSSPOXGK-INIZCTEOSA-N 2 2 330.476 2.000 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1 ZINC001502022625 1113562197 /nfs/dbraw/zinc/56/21/97/1113562197.db2.gz NWLZYYKEVVWALZ-UHFFFAOYSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)co1 ZINC001502381800 1113655798 /nfs/dbraw/zinc/65/57/98/1113655798.db2.gz GNCCEQMVRNWBQS-QZTJIDSGSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1nc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)co1 ZINC001502381800 1113655800 /nfs/dbraw/zinc/65/58/00/1113655800.db2.gz GNCCEQMVRNWBQS-QZTJIDSGSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1nc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)co1 ZINC001502381800 1113655804 /nfs/dbraw/zinc/65/58/04/1113655804.db2.gz GNCCEQMVRNWBQS-QZTJIDSGSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1nc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)co1 ZINC001502381800 1113655807 /nfs/dbraw/zinc/65/58/07/1113655807.db2.gz GNCCEQMVRNWBQS-QZTJIDSGSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001505652002 1114109724 /nfs/dbraw/zinc/10/97/24/1114109724.db2.gz CUQADIJZXUYDIE-KBPBESRZSA-N 2 2 337.427 2.334 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505660040 1114115456 /nfs/dbraw/zinc/11/54/56/1114115456.db2.gz JUWPGSBACIVUKT-RYUDHWBXSA-N 2 2 349.504 2.109 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001505700863 1114138794 /nfs/dbraw/zinc/13/87/94/1114138794.db2.gz DUPDOXFEEAJZGX-KBPBESRZSA-N 2 2 349.504 2.454 10 0 EEAELP Cc1cnc(C[N@@H+]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)o1 ZINC001506753217 1114866500 /nfs/dbraw/zinc/86/65/00/1114866500.db2.gz NQVPBBDZJIPXOP-INIZCTEOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cnc(C[N@H+]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)o1 ZINC001506753217 1114866502 /nfs/dbraw/zinc/86/65/02/1114866502.db2.gz NQVPBBDZJIPXOP-INIZCTEOSA-N 2 2 348.491 2.186 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001506887758 1114951646 /nfs/dbraw/zinc/95/16/46/1114951646.db2.gz DGTCEKUZFRZZFR-KQFSBCPLSA-N 2 2 330.476 2.286 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507027576 1115065333 /nfs/dbraw/zinc/06/53/33/1115065333.db2.gz QUMQXGFHNVXYDX-WMLDXEAASA-N 2 2 345.447 2.157 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC=C(Cl)Cl ZINC001507091958 1115103975 /nfs/dbraw/zinc/10/39/75/1115103975.db2.gz LEXRNLWGWAHPCZ-VXGBXAGGSA-N 2 2 345.274 2.201 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001507325218 1115193465 /nfs/dbraw/zinc/19/34/65/1115193465.db2.gz OXCAOIIVVGHQEH-HZPDHXFCSA-N 2 2 342.443 2.000 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC001507395999 1115249965 /nfs/dbraw/zinc/24/99/65/1115249965.db2.gz ADSFLBWCWXQURF-IRXDYDNUSA-N 2 2 348.491 2.034 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC001507395999 1115249966 /nfs/dbraw/zinc/24/99/66/1115249966.db2.gz ADSFLBWCWXQURF-IRXDYDNUSA-N 2 2 348.491 2.034 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC001507447010 1115274298 /nfs/dbraw/zinc/27/42/98/1115274298.db2.gz HFIMEROMZRGUGC-HOTGVXAUSA-N 2 2 336.480 2.086 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ncc(C)o2)CC1)[NH+](CC)CC ZINC001508217987 1115449166 /nfs/dbraw/zinc/44/91/66/1115449166.db2.gz DEDHBLQXCGXBKW-KRWDZBQOSA-N 2 2 348.491 2.352 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2ncc(C)o2)CC1)[NH+](CC)CC ZINC001508217987 1115449170 /nfs/dbraw/zinc/44/91/70/1115449170.db2.gz DEDHBLQXCGXBKW-KRWDZBQOSA-N 2 2 348.491 2.352 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001568515468 1124579314 /nfs/dbraw/zinc/57/93/14/1124579314.db2.gz LISXTJACEOYVIK-WMZOPIPTSA-N 2 2 348.491 2.000 10 0 EEAELP CCCCOCC[N@H+]1CC[C@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001568515468 1124579321 /nfs/dbraw/zinc/57/93/21/1124579321.db2.gz LISXTJACEOYVIK-WMZOPIPTSA-N 2 2 348.491 2.000 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)ns1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001568791935 1124804102 /nfs/dbraw/zinc/80/41/02/1124804102.db2.gz ZQFCUNVCKNBUBZ-UHFFFAOYSA-N 2 2 335.477 2.091 10 0 EEAELP CN(CCC[NH2+]CC1CC(F)(F)C1)C(=O)c1cccc2[nH+]ccn21 ZINC001569223166 1125176026 /nfs/dbraw/zinc/17/60/26/1125176026.db2.gz ZWYVPVLKXOWVCD-UHFFFAOYSA-N 2 2 336.386 2.431 10 0 EEAELP CCC(CC)[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000359063168 282222929 /nfs/dbraw/zinc/22/29/29/282222929.db2.gz DTJODWJNRNTYCP-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP CCC(CC)[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)[NH+]1CCOCC1 ZINC000359063168 282222931 /nfs/dbraw/zinc/22/29/31/282222931.db2.gz DTJODWJNRNTYCP-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3cccc(Cl)c3)c2N)CC1 ZINC000040756893 213383946 /nfs/dbraw/zinc/38/39/46/213383946.db2.gz CJMYUXROLIMJLF-UHFFFAOYSA-N 2 2 333.827 2.030 10 0 EEAELP Cc1cc(Br)cn2c(CN[C@@H]3C[NH2+]CC[C@@H]3C)c[nH+]c12 ZINC000414933535 238754209 /nfs/dbraw/zinc/75/42/09/238754209.db2.gz RZOWQHWJHPWGCT-IINYFYTJSA-N 2 2 337.265 2.493 10 0 EEAELP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422730119 240196145 /nfs/dbraw/zinc/19/61/45/240196145.db2.gz DHHHFNYDZUKYDI-ZDUSSCGKSA-N 2 2 348.472 2.032 10 0 EEAELP c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(C[NH+]2CCCC2)c1 ZINC000422801314 240231932 /nfs/dbraw/zinc/23/19/32/240231932.db2.gz BRLGGBRDVUCSST-VQTJNVASSA-N 3 2 329.488 2.139 10 0 EEAELP FC(F)(F)c1ccc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422942041 240301414 /nfs/dbraw/zinc/30/14/14/240301414.db2.gz JWUCQWUBKFLDJI-HZPDHXFCSA-N 2 2 344.377 2.441 10 0 EEAELP Fc1cccc(OC(F)F)c1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422922736 240292012 /nfs/dbraw/zinc/29/20/12/240292012.db2.gz UFQSMUVPFPKQNT-HUUCEWRRSA-N 2 2 330.350 2.284 10 0 EEAELP Cc1ncccc1OC[C@@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425366803 241141242 /nfs/dbraw/zinc/14/12/42/241141242.db2.gz GJTYCWLLXWGGQU-HNNXBMFYSA-N 2 2 329.448 2.233 10 0 EEAELP Cc1ncccc1OC[C@@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425366803 241141245 /nfs/dbraw/zinc/14/12/45/241141245.db2.gz GJTYCWLLXWGGQU-HNNXBMFYSA-N 2 2 329.448 2.233 10 0 EEAELP COC(=O)c1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000271070541 256204757 /nfs/dbraw/zinc/20/47/57/256204757.db2.gz VKASRTVQTMZBRU-GUYCJALGSA-N 2 2 348.443 2.174 10 0 EEAELP COC(=O)c1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000271070541 256204758 /nfs/dbraw/zinc/20/47/58/256204758.db2.gz VKASRTVQTMZBRU-GUYCJALGSA-N 2 2 348.443 2.174 10 0 EEAELP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000271070541 256204760 /nfs/dbraw/zinc/20/47/60/256204760.db2.gz VKASRTVQTMZBRU-GUYCJALGSA-N 2 2 348.443 2.174 10 0 EEAELP COC(=O)c1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000271070541 256204762 /nfs/dbraw/zinc/20/47/62/256204762.db2.gz VKASRTVQTMZBRU-GUYCJALGSA-N 2 2 348.443 2.174 10 0 EEAELP O=S1(=O)CC[C@@H]([NH2+]CCn2cc[nH+]c2)c2cc(Cl)ccc21 ZINC000154892484 224323044 /nfs/dbraw/zinc/32/30/44/224323044.db2.gz PMVIRDINYQBGTN-CYBMUJFWSA-N 2 2 325.821 2.045 10 0 EEAELP CC1(C)CC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC(C)(C)[NH2+]1 ZINC000274240556 256366958 /nfs/dbraw/zinc/36/69/58/256366958.db2.gz RGEWBOPXOMRYGJ-UHFFFAOYSA-N 2 2 327.432 2.306 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CCO1 ZINC000275502791 257994240 /nfs/dbraw/zinc/99/42/40/257994240.db2.gz JUDGGUMFYPDMGO-YOEHRIQHSA-N 2 2 329.400 2.201 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000049968286 132178178 /nfs/dbraw/zinc/17/81/78/132178178.db2.gz SUOQEODWHFKDPZ-HNNXBMFYSA-N 2 2 342.418 2.220 10 0 EEAELP C[C@@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC[NH2+]CC1 ZINC000165233604 143818174 /nfs/dbraw/zinc/81/81/74/143818174.db2.gz SQUFBKXSWLNHNA-HNNXBMFYSA-N 2 2 330.476 2.192 10 0 EEAELP C[NH+]1CCC(CNC(=O)N2CCC(C)(C)C2)([NH+]2CCCCC2)CC1 ZINC000074767231 292177183 /nfs/dbraw/zinc/17/71/83/292177183.db2.gz PAQJOUBFHQSWRI-UHFFFAOYSA-N 2 2 336.524 2.378 10 0 EEAELP C[NH+]1CCC(CNC(=O)CCc2ccccn2)([NH+]2CCCCC2)CC1 ZINC000172749138 152115803 /nfs/dbraw/zinc/11/58/03/152115803.db2.gz YZNIFAWDGZHBEI-UHFFFAOYSA-N 2 2 344.503 2.081 10 0 EEAELP C[N@H+](CCN1CCCC[C@@H]1C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000173215600 152151693 /nfs/dbraw/zinc/15/16/93/152151693.db2.gz XLMKDQVDEPLYRE-HXUWFJFHSA-N 2 2 349.494 2.444 10 0 EEAELP C[N@@H+](CCN1CCCC[C@@H]1C[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000173215600 152151697 /nfs/dbraw/zinc/15/16/97/152151697.db2.gz XLMKDQVDEPLYRE-HXUWFJFHSA-N 2 2 349.494 2.444 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000356012287 153244269 /nfs/dbraw/zinc/24/42/69/153244269.db2.gz NNRANXRGPWQOOH-CYBMUJFWSA-N 2 2 348.397 2.318 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000356012287 153244273 /nfs/dbraw/zinc/24/42/73/153244273.db2.gz NNRANXRGPWQOOH-CYBMUJFWSA-N 2 2 348.397 2.318 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262093865 160438667 /nfs/dbraw/zinc/43/86/67/160438667.db2.gz UZNWTPDAZMCHSN-QFBILLFUSA-N 2 2 331.460 2.406 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@]1(C)CC[NH2+]C1 ZINC000262093865 160438669 /nfs/dbraw/zinc/43/86/69/160438669.db2.gz UZNWTPDAZMCHSN-QFBILLFUSA-N 2 2 331.460 2.406 10 0 EEAELP Cc1c(-c2cc(C[NH+]3CCC([NH+]4CCCC4)CC3)on2)cnn1C ZINC000184450827 160007922 /nfs/dbraw/zinc/00/79/22/160007922.db2.gz WNZCFASZXZZOMT-UHFFFAOYSA-N 2 2 329.448 2.444 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193656926 160185232 /nfs/dbraw/zinc/18/52/32/160185232.db2.gz ZAJJITOZEHZTOZ-XOUADPBQSA-N 2 2 335.879 2.399 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193656926 160185233 /nfs/dbraw/zinc/18/52/33/160185233.db2.gz ZAJJITOZEHZTOZ-XOUADPBQSA-N 2 2 335.879 2.399 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193656926 160185235 /nfs/dbraw/zinc/18/52/35/160185235.db2.gz ZAJJITOZEHZTOZ-XOUADPBQSA-N 2 2 335.879 2.399 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193656926 160185236 /nfs/dbraw/zinc/18/52/36/160185236.db2.gz ZAJJITOZEHZTOZ-XOUADPBQSA-N 2 2 335.879 2.399 10 0 EEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246229427 160268490 /nfs/dbraw/zinc/26/84/90/160268490.db2.gz SQYQRBYXLFESCR-ZWKOTPCHSA-N 2 2 345.512 2.083 10 0 EEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246229427 160268492 /nfs/dbraw/zinc/26/84/92/160268492.db2.gz SQYQRBYXLFESCR-ZWKOTPCHSA-N 2 2 345.512 2.083 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1cccc(C)c1 ZINC000247211124 160315345 /nfs/dbraw/zinc/31/53/45/160315345.db2.gz XUEHWPVYUMEWOP-ROUUACIJSA-N 2 2 329.444 2.404 10 0 EEAELP Cn1nccc1[C@H]1[C@@H](C[NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1C ZINC000343416635 161134184 /nfs/dbraw/zinc/13/41/84/161134184.db2.gz DAFLBIJLPLGMJK-DNVCBOLYSA-N 2 2 338.459 2.241 10 0 EEAELP Cn1nccc1[C@H]1[C@@H](C[NH2+]Cc2cnn3ccccc23)CCC[N@H+]1C ZINC000343416635 161134185 /nfs/dbraw/zinc/13/41/85/161134185.db2.gz DAFLBIJLPLGMJK-DNVCBOLYSA-N 2 2 338.459 2.241 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1)CC[NH+](C)C ZINC000344076505 161196432 /nfs/dbraw/zinc/19/64/32/161196432.db2.gz VTGBTOUWRDNTBF-UHFFFAOYSA-N 2 2 347.482 2.327 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1)CC[NH+](C)C ZINC000344076505 161196433 /nfs/dbraw/zinc/19/64/33/161196433.db2.gz VTGBTOUWRDNTBF-UHFFFAOYSA-N 2 2 347.482 2.327 10 0 EEAELP CCC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)[NH+](C)C ZINC000137160623 292459961 /nfs/dbraw/zinc/45/99/61/292459961.db2.gz IMABZFRCPRUTCG-MOPGFXCFSA-N 2 2 347.503 2.215 10 0 EEAELP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc(OC)c1 ZINC000355644518 163258007 /nfs/dbraw/zinc/25/80/07/163258007.db2.gz AGTDCUQCURCAQJ-UHFFFAOYSA-N 2 2 343.427 2.430 10 0 EEAELP CC[NH+](CC)CCOCCNC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000359932861 164199503 /nfs/dbraw/zinc/19/95/03/164199503.db2.gz HYLIUCRMCDNNDG-UHFFFAOYSA-N 2 2 333.436 2.123 10 0 EEAELP CC(C)(C)n1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)nn1 ZINC000359973917 164207436 /nfs/dbraw/zinc/20/74/36/164207436.db2.gz DMAFYOBQJVXFBC-UHFFFAOYSA-N 2 2 343.475 2.155 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000369343074 166241080 /nfs/dbraw/zinc/24/10/80/166241080.db2.gz KNMPQICEUXGVRD-AWEZNQCLSA-N 2 2 342.443 2.303 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000369343074 166241081 /nfs/dbraw/zinc/24/10/81/166241081.db2.gz KNMPQICEUXGVRD-AWEZNQCLSA-N 2 2 342.443 2.303 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000192776309 268612892 /nfs/dbraw/zinc/61/28/92/268612892.db2.gz KYYDJZYHXUOEAP-IRXDYDNUSA-N 2 2 335.467 2.225 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000192776309 268612894 /nfs/dbraw/zinc/61/28/94/268612894.db2.gz KYYDJZYHXUOEAP-IRXDYDNUSA-N 2 2 335.467 2.225 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](CCCCNc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278297589 269221948 /nfs/dbraw/zinc/22/19/48/269221948.db2.gz GNPXOTKEEVTHMN-STQMWFEESA-N 2 2 331.468 2.116 10 0 EEAELP Cn1ncc(Br)c1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000278368633 269226423 /nfs/dbraw/zinc/22/64/23/269226423.db2.gz KDYUPXMTXHCYRI-UHFFFAOYSA-N 2 2 334.221 2.163 10 0 EEAELP CC1(C)C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@]2(CCOC2)O1 ZINC000280196463 269337296 /nfs/dbraw/zinc/33/72/96/269337296.db2.gz HQMFCQCWMRHEFD-GOSISDBHSA-N 2 2 328.416 2.037 10 0 EEAELP CC1(C)C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C[C@@]2(CCOC2)O1 ZINC000280196463 269337297 /nfs/dbraw/zinc/33/72/97/269337297.db2.gz HQMFCQCWMRHEFD-GOSISDBHSA-N 2 2 328.416 2.037 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@H]3CC[C@H](O)CC3)c2cc1C ZINC000275773138 274264948 /nfs/dbraw/zinc/26/49/48/274264948.db2.gz BEHJEBOJOJXQTI-ULQDDVLXSA-N 2 2 331.460 2.249 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@H]3CC[C@H](O)CC3)c2cc1C ZINC000275773138 274264951 /nfs/dbraw/zinc/26/49/51/274264951.db2.gz BEHJEBOJOJXQTI-ULQDDVLXSA-N 2 2 331.460 2.249 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccnn1-c1ccccc1 ZINC000289947132 275164251 /nfs/dbraw/zinc/16/42/51/275164251.db2.gz XPBVPHSQALBTNI-UHFFFAOYSA-N 2 2 341.503 2.330 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccnn1-c1ccccc1 ZINC000289947132 275164253 /nfs/dbraw/zinc/16/42/53/275164253.db2.gz XPBVPHSQALBTNI-UHFFFAOYSA-N 2 2 341.503 2.330 10 0 EEAELP CN(CC[N@H+](C)Cc1ccnn1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000289947132 275164255 /nfs/dbraw/zinc/16/42/55/275164255.db2.gz XPBVPHSQALBTNI-UHFFFAOYSA-N 2 2 341.503 2.330 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccnn1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000289947132 275164257 /nfs/dbraw/zinc/16/42/57/275164257.db2.gz XPBVPHSQALBTNI-UHFFFAOYSA-N 2 2 341.503 2.330 10 0 EEAELP COc1cccc2c(N3CC[C@@H]([NH+]4CCOCC4)C3)cc(C)[nH+]c12 ZINC000127727799 278024273 /nfs/dbraw/zinc/02/42/73/278024273.db2.gz ZREYOQQAMLAZGK-OAHLLOKOSA-N 2 2 327.428 2.463 10 0 EEAELP COCC[N@@H+]1CC[C@@H](NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000293527273 293230489 /nfs/dbraw/zinc/23/04/89/293230489.db2.gz WORDXNBAFZBHCZ-AEFFLSMTSA-N 2 2 337.533 2.322 10 0 EEAELP COCC[N@H+]1CC[C@@H](NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000293527273 293230492 /nfs/dbraw/zinc/23/04/92/293230492.db2.gz WORDXNBAFZBHCZ-AEFFLSMTSA-N 2 2 337.533 2.322 10 0 EEAELP CCOC(=O)c1cc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)[nH]c1C ZINC000296447682 293980725 /nfs/dbraw/zinc/98/07/25/293980725.db2.gz OBMIBCGDECCDPQ-UHFFFAOYSA-N 2 2 339.399 2.370 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000330114289 311725179 /nfs/dbraw/zinc/72/51/79/311725179.db2.gz SSCIKHLWBDPOAP-UHFFFAOYSA-N 2 2 325.416 2.014 10 0 EEAELP [NH3+][C@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000417065040 313411201 /nfs/dbraw/zinc/41/12/01/313411201.db2.gz AZGHURJUXNHKGD-QGZVFWFLSA-N 2 2 339.443 2.050 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418593377 313855402 /nfs/dbraw/zinc/85/54/02/313855402.db2.gz MCQJQNVYMKXFLK-NVXWUHKLSA-N 2 2 333.480 2.083 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000441527879 315187786 /nfs/dbraw/zinc/18/77/86/315187786.db2.gz XVECJTZWOWFZAP-UHFFFAOYSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CS1 ZINC000515272424 316475829 /nfs/dbraw/zinc/47/58/29/316475829.db2.gz ZHEUFDHLOQNXCM-KFWWJZLASA-N 2 2 336.505 2.031 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NC3CC([NH+]4CCCCC4)C3)cn2c1 ZINC000521635658 316925294 /nfs/dbraw/zinc/92/52/94/316925294.db2.gz JAAGKOSIGXTQJC-UHFFFAOYSA-N 2 2 341.459 2.459 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C2 ZINC000526007148 317104560 /nfs/dbraw/zinc/10/45/60/317104560.db2.gz KYCQNTNZLINOKO-GJZGRUSLSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C2 ZINC000526007148 317104563 /nfs/dbraw/zinc/10/45/63/317104563.db2.gz KYCQNTNZLINOKO-GJZGRUSLSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CC2 ZINC000526007148 317104567 /nfs/dbraw/zinc/10/45/67/317104567.db2.gz KYCQNTNZLINOKO-GJZGRUSLSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000526007148 317104571 /nfs/dbraw/zinc/10/45/71/317104571.db2.gz KYCQNTNZLINOKO-GJZGRUSLSA-N 2 2 332.492 2.438 10 0 EEAELP COc1ccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000527800181 317265879 /nfs/dbraw/zinc/26/58/79/317265879.db2.gz WYSYSPHLRILOON-UHFFFAOYSA-N 2 2 326.444 2.282 10 0 EEAELP CCC(F)(F)C(C)(C)C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000527983652 317298240 /nfs/dbraw/zinc/29/82/40/317298240.db2.gz VOZRHRYLTOKOBM-UHFFFAOYSA-N 2 2 347.494 2.444 10 0 EEAELP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000527983652 317298242 /nfs/dbraw/zinc/29/82/42/317298242.db2.gz VOZRHRYLTOKOBM-UHFFFAOYSA-N 2 2 347.494 2.444 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c32)C1=O ZINC000543103395 318150558 /nfs/dbraw/zinc/15/05/58/318150558.db2.gz HAPXPIAKZDEBHW-MRXNPFEDSA-N 2 2 337.427 2.182 10 0 EEAELP COc1cc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1C ZINC000564405673 319082872 /nfs/dbraw/zinc/08/28/72/319082872.db2.gz PHYGBHFTLZVQRM-MRXNPFEDSA-N 2 2 342.443 2.018 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1CC(F)(F)F ZINC000564459163 319086750 /nfs/dbraw/zinc/08/67/50/319086750.db2.gz OFNVLGYCPSERTA-CYBMUJFWSA-N 2 2 327.394 2.401 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)CCN1CC(F)(F)F ZINC000564459163 319086753 /nfs/dbraw/zinc/08/67/53/319086753.db2.gz OFNVLGYCPSERTA-CYBMUJFWSA-N 2 2 327.394 2.401 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)Cn2cccn2)c(C)c1 ZINC000566116858 319247395 /nfs/dbraw/zinc/24/73/95/319247395.db2.gz QVDVYFISMBYDBA-IEBWSBKVSA-N 2 2 339.443 2.088 10 0 EEAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000566923089 319333146 /nfs/dbraw/zinc/33/31/46/319333146.db2.gz DOHYKPGYUAIEBE-UHFFFAOYSA-N 2 2 326.444 2.232 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000580152861 324000855 /nfs/dbraw/zinc/00/08/55/324000855.db2.gz YVQSLCFABCDKHY-NVXWUHKLSA-N 2 2 326.444 2.304 10 0 EEAELP CNC(=O)[C@@H](C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1C ZINC000583441445 324664428 /nfs/dbraw/zinc/66/44/28/324664428.db2.gz FUQFPLOLQSCVCK-KYJSFNMBSA-N 2 2 335.467 2.159 10 0 EEAELP Cc1nc(N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107098 447888834 /nfs/dbraw/zinc/88/88/34/447888834.db2.gz LFJJVNHJSVEKMU-CJNGLKHVSA-N 2 2 326.448 2.321 10 0 EEAELP Cc1nc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107098 447888838 /nfs/dbraw/zinc/88/88/38/447888838.db2.gz LFJJVNHJSVEKMU-CJNGLKHVSA-N 2 2 326.448 2.321 10 0 EEAELP CC(C)[NH+]1CCC(N(C)c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000530909351 447983504 /nfs/dbraw/zinc/98/35/04/447983504.db2.gz CSKFYETZWVKIPO-UHFFFAOYSA-N 2 2 343.475 2.343 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000049157788 462957613 /nfs/dbraw/zinc/95/76/13/462957613.db2.gz RFYVNSHVMCLLNJ-HOTGVXAUSA-N 2 2 347.507 2.315 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000358283670 465036993 /nfs/dbraw/zinc/03/69/93/465036993.db2.gz GMZPGQQVUNFSHP-MAUKXSAKSA-N 2 2 336.911 2.002 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000358283670 465036999 /nfs/dbraw/zinc/03/69/99/465036999.db2.gz GMZPGQQVUNFSHP-MAUKXSAKSA-N 2 2 336.911 2.002 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[NH+](CC(C)(C)O)CC3)c2cc1OC ZINC000327769693 465055243 /nfs/dbraw/zinc/05/52/43/465055243.db2.gz LBDXVFOVZQYXLR-UHFFFAOYSA-N 2 2 345.443 2.145 10 0 EEAELP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](Nc3ccc(N)[nH+]c3)CC2)n1 ZINC000328629576 465080346 /nfs/dbraw/zinc/08/03/46/465080346.db2.gz IIYNSBBRLCJPHU-AWEZNQCLSA-N 2 2 327.432 2.539 10 0 EEAELP Cc1ccc(O)c(C[N@H+]2CCC[C@H](Nc3ccc(N)[nH+]c3)CC2)n1 ZINC000328629576 465080347 /nfs/dbraw/zinc/08/03/47/465080347.db2.gz IIYNSBBRLCJPHU-AWEZNQCLSA-N 2 2 327.432 2.539 10 0 EEAELP O=S1(=O)CCC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868587 465270573 /nfs/dbraw/zinc/27/05/73/465270573.db2.gz HAEHKEQCTWDRNM-MSOLQXFVSA-N 2 2 342.549 2.399 10 0 EEAELP O=S1(=O)CCC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868587 465270578 /nfs/dbraw/zinc/27/05/78/465270578.db2.gz HAEHKEQCTWDRNM-MSOLQXFVSA-N 2 2 342.549 2.399 10 0 EEAELP Cc1[nH]nc2ncc(C[NH2+]C3CC[NH+](Cc4ccccn4)CC3)cc12 ZINC000048310697 462891835 /nfs/dbraw/zinc/89/18/35/462891835.db2.gz BOLPUDCTAAQNOR-UHFFFAOYSA-N 2 2 336.443 2.416 10 0 EEAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579230553 468328717 /nfs/dbraw/zinc/32/87/17/468328717.db2.gz OTRBLKDSIBFBNL-HNNXBMFYSA-N 2 2 346.397 2.245 10 0 EEAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579230553 468328721 /nfs/dbraw/zinc/32/87/21/468328721.db2.gz OTRBLKDSIBFBNL-HNNXBMFYSA-N 2 2 346.397 2.245 10 0 EEAELP C[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000133944460 462986950 /nfs/dbraw/zinc/98/69/50/462986950.db2.gz RNOZZADBVYWBKJ-GJZGRUSLSA-N 2 2 342.846 2.085 10 0 EEAELP c1cn(C[C@H]2CCOC2)c(-c2cccc(C[NH+]3CCOCC3)c2)[nH+]1 ZINC000077538033 463002425 /nfs/dbraw/zinc/00/24/25/463002425.db2.gz LLOIDVMOKUYGKE-QGZVFWFLSA-N 2 2 327.428 2.419 10 0 EEAELP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000157301470 463117345 /nfs/dbraw/zinc/11/73/45/463117345.db2.gz AEQVGJKJNYSEMQ-WBVHZDCISA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000157301470 463117350 /nfs/dbraw/zinc/11/73/50/463117350.db2.gz AEQVGJKJNYSEMQ-WBVHZDCISA-N 2 2 325.403 2.166 10 0 EEAELP COC(=O)c1ccc([C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)o1 ZINC000095995354 463133400 /nfs/dbraw/zinc/13/34/00/463133400.db2.gz DSXWHFGSFQVXCS-HOTGVXAUSA-N 2 2 349.475 2.229 10 0 EEAELP COC(=O)c1ccc([C@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)o1 ZINC000095995354 463133404 /nfs/dbraw/zinc/13/34/04/463133404.db2.gz DSXWHFGSFQVXCS-HOTGVXAUSA-N 2 2 349.475 2.229 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000069452888 463249145 /nfs/dbraw/zinc/24/91/45/463249145.db2.gz TYKQFCFHUHLXCR-ZWKOTPCHSA-N 2 2 326.444 2.430 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000069452888 463249147 /nfs/dbraw/zinc/24/91/47/463249147.db2.gz TYKQFCFHUHLXCR-ZWKOTPCHSA-N 2 2 326.444 2.430 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158802017 463252798 /nfs/dbraw/zinc/25/27/98/463252798.db2.gz GMFBIPOOLOVKLL-HUUCEWRRSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158802017 463252803 /nfs/dbraw/zinc/25/28/03/463252803.db2.gz GMFBIPOOLOVKLL-HUUCEWRRSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158802017 463252808 /nfs/dbraw/zinc/25/28/08/463252808.db2.gz GMFBIPOOLOVKLL-HUUCEWRRSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158802017 463252813 /nfs/dbraw/zinc/25/28/13/463252813.db2.gz GMFBIPOOLOVKLL-HUUCEWRRSA-N 2 2 349.441 2.449 10 0 EEAELP C[NH+](C)[C@H]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000159232694 463276064 /nfs/dbraw/zinc/27/60/64/463276064.db2.gz HKSHIXJNSSZLJB-HNNXBMFYSA-N 2 2 343.431 2.130 10 0 EEAELP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)on1 ZINC000097200626 463345191 /nfs/dbraw/zinc/34/51/91/463345191.db2.gz ZKWSDPNFFIIGCI-UONOGXRCSA-N 2 2 329.404 2.139 10 0 EEAELP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)on1 ZINC000097200626 463345192 /nfs/dbraw/zinc/34/51/92/463345192.db2.gz ZKWSDPNFFIIGCI-UONOGXRCSA-N 2 2 329.404 2.139 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000072277921 463495276 /nfs/dbraw/zinc/49/52/76/463495276.db2.gz VNAVPSFEJNZPJR-MAUKXSAKSA-N 2 2 338.455 2.069 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C)[N@H+]1CCc3ccccc3C1)C2 ZINC000072277921 463495281 /nfs/dbraw/zinc/49/52/81/463495281.db2.gz VNAVPSFEJNZPJR-MAUKXSAKSA-N 2 2 338.455 2.069 10 0 EEAELP Fc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1Cn1cc[nH+]c1 ZINC000058309683 463575613 /nfs/dbraw/zinc/57/56/13/463575613.db2.gz CUPHPCFPNMPRDO-OAHLLOKOSA-N 2 2 340.406 2.099 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000163331284 463580861 /nfs/dbraw/zinc/58/08/61/463580861.db2.gz UWRPHWGXOWJTNR-CQSZACIVSA-N 2 2 345.447 2.152 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000163331284 463580864 /nfs/dbraw/zinc/58/08/64/463580864.db2.gz UWRPHWGXOWJTNR-CQSZACIVSA-N 2 2 345.447 2.152 10 0 EEAELP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000261780631 463857379 /nfs/dbraw/zinc/85/73/79/463857379.db2.gz MYGGJCKWISGPHG-GOSISDBHSA-N 2 2 333.480 2.073 10 0 EEAELP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)C1 ZINC000261780631 463857386 /nfs/dbraw/zinc/85/73/86/463857386.db2.gz MYGGJCKWISGPHG-GOSISDBHSA-N 2 2 333.480 2.073 10 0 EEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261953301 463909409 /nfs/dbraw/zinc/90/94/09/463909409.db2.gz OPEUKVQKIFLAMJ-NCXUSEDFSA-N 2 2 335.467 2.175 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119229 465435289 /nfs/dbraw/zinc/43/52/89/465435289.db2.gz ZZQRLKDIIMTCNC-MAUKXSAKSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348119229 465435292 /nfs/dbraw/zinc/43/52/92/465435292.db2.gz ZZQRLKDIIMTCNC-MAUKXSAKSA-N 2 2 329.448 2.029 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000579654159 468388077 /nfs/dbraw/zinc/38/80/77/468388077.db2.gz IIRRISHZANHLFA-UHFFFAOYSA-N 2 2 326.444 2.662 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000172415209 464075861 /nfs/dbraw/zinc/07/58/61/464075861.db2.gz FWXWSHLIAOGPKG-MRXNPFEDSA-N 2 2 325.416 2.399 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000172415209 464075867 /nfs/dbraw/zinc/07/58/67/464075867.db2.gz FWXWSHLIAOGPKG-MRXNPFEDSA-N 2 2 325.416 2.399 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173523821 464276261 /nfs/dbraw/zinc/27/62/61/464276261.db2.gz HFQUBXJNGIJOOV-ZBFHGGJFSA-N 2 2 343.475 2.469 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173523821 464276263 /nfs/dbraw/zinc/27/62/63/464276263.db2.gz HFQUBXJNGIJOOV-ZBFHGGJFSA-N 2 2 343.475 2.469 10 0 EEAELP C[C@@H](CC(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237402104 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0 EEAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175585731 464581270 /nfs/dbraw/zinc/58/12/70/464581270.db2.gz BCNJGHNARVDZRH-QGZVFWFLSA-N 2 2 345.491 2.176 10 0 EEAELP CN(C)c1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281912713 464633521 /nfs/dbraw/zinc/63/35/21/464633521.db2.gz CHMPLDINZSVYQG-ZDUSSCGKSA-N 2 2 330.436 2.048 10 0 EEAELP CN(C)c1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000281912713 464633526 /nfs/dbraw/zinc/63/35/26/464633526.db2.gz CHMPLDINZSVYQG-ZDUSSCGKSA-N 2 2 330.436 2.048 10 0 EEAELP COc1nccnc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000295009339 464676762 /nfs/dbraw/zinc/67/67/62/464676762.db2.gz ISRBUFZLHUHDNZ-KRWDZBQOSA-N 2 2 326.444 2.139 10 0 EEAELP COc1nccnc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000295009339 464676767 /nfs/dbraw/zinc/67/67/67/464676767.db2.gz ISRBUFZLHUHDNZ-KRWDZBQOSA-N 2 2 326.444 2.139 10 0 EEAELP O=c1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)occ1O ZINC000282175390 464722793 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EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000556765033 468568850 /nfs/dbraw/zinc/56/88/50/468568850.db2.gz APKHPIVXKUJQJM-VNHYZAJKSA-N 2 2 328.416 2.106 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000570526706 468652979 /nfs/dbraw/zinc/65/29/79/468652979.db2.gz NCSAIMYQAIPQBN-UHFFFAOYSA-N 2 2 344.503 2.488 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C[N@@H+]1C1CC1 ZINC000592372372 468684313 /nfs/dbraw/zinc/68/43/13/468684313.db2.gz HFPJQALVOYNUEM-GJZGRUSLSA-N 2 2 338.492 2.340 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C[N@H+]1C1CC1 ZINC000592372372 468684315 /nfs/dbraw/zinc/68/43/15/468684315.db2.gz HFPJQALVOYNUEM-GJZGRUSLSA-N 2 2 338.492 2.340 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000584227585 468824081 /nfs/dbraw/zinc/82/40/81/468824081.db2.gz XQUADZCHGJFJTO-PKOBYXMFSA-N 2 2 329.444 2.007 10 0 EEAELP COc1cc(C)ccc1C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000562517862 468975814 /nfs/dbraw/zinc/97/58/14/468975814.db2.gz XIBNGTLFAVWDJA-MRXNPFEDSA-N 2 2 342.443 2.018 10 0 EEAELP COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000595804929 469020905 /nfs/dbraw/zinc/02/09/05/469020905.db2.gz MEDDQADTQMSIKM-SFHVURJKSA-N 2 2 329.400 2.026 10 0 EEAELP COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000595804929 469020911 /nfs/dbraw/zinc/02/09/11/469020911.db2.gz MEDDQADTQMSIKM-SFHVURJKSA-N 2 2 329.400 2.026 10 0 EEAELP C[C@@H](c1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1)[NH+]1CCOCC1 ZINC000573384223 469121142 /nfs/dbraw/zinc/12/11/42/469121142.db2.gz SNYQEFAWFJCTLN-HNNXBMFYSA-N 2 2 331.460 2.360 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@H+](C[C@H]([NH3+])CC(C)C)C2)s1 ZINC000596106354 469157197 /nfs/dbraw/zinc/15/71/97/469157197.db2.gz OYBITSYQTARROC-QWHCGFSZSA-N 2 2 325.478 2.483 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C2)s1 ZINC000596106354 469157201 /nfs/dbraw/zinc/15/72/01/469157201.db2.gz OYBITSYQTARROC-QWHCGFSZSA-N 2 2 325.478 2.483 10 0 EEAELP COC(=O)Cc1cc[nH+]c(NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000596148237 469175438 /nfs/dbraw/zinc/17/54/38/469175438.db2.gz AGPQVPLZQAWPDB-UHFFFAOYSA-N 2 2 335.448 2.098 10 0 EEAELP Cc1c(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cnn1C ZINC000573949266 469235683 /nfs/dbraw/zinc/23/56/83/469235683.db2.gz IJCKXPNCBKRVDG-UHFFFAOYSA-N 2 2 328.460 2.193 10 0 EEAELP Cc1c(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cnn1C ZINC000573949266 469235686 /nfs/dbraw/zinc/23/56/86/469235686.db2.gz IJCKXPNCBKRVDG-UHFFFAOYSA-N 2 2 328.460 2.193 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000625847946 469409483 /nfs/dbraw/zinc/40/94/83/469409483.db2.gz HHAHHKXBXBOIBY-QBYUYEEZSA-N 2 2 346.475 2.168 10 0 EEAELP [NH3+]C1(C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)CCOCC1 ZINC000629389233 469529399 /nfs/dbraw/zinc/52/93/99/469529399.db2.gz ZYVJICSKFQBXDQ-UHFFFAOYSA-N 2 2 337.895 2.402 10 0 EEAELP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3c(F)cccc3F)CCC2)CC1 ZINC000626178824 469534934 /nfs/dbraw/zinc/53/49/34/469534934.db2.gz KRIBUFPZJWEMRQ-UHFFFAOYSA-N 2 2 337.414 2.098 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629603710 469590979 /nfs/dbraw/zinc/59/09/79/469590979.db2.gz NGVRNYSFDBIYMM-QZTJIDSGSA-N 2 2 348.487 2.432 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629603710 469590981 /nfs/dbraw/zinc/59/09/81/469590981.db2.gz NGVRNYSFDBIYMM-QZTJIDSGSA-N 2 2 348.487 2.432 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)CC2 ZINC000626598523 469658997 /nfs/dbraw/zinc/65/89/97/469658997.db2.gz YUQAAIYDLLVLRG-INIZCTEOSA-N 2 2 326.444 2.497 10 0 EEAELP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CCn4cc(C)[nH+]c4C3)sc2C1 ZINC000623556592 469692614 /nfs/dbraw/zinc/69/26/14/469692614.db2.gz ONIVRQCXTKNYNK-GFCCVEGCSA-N 2 2 345.472 2.227 10 0 EEAELP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CCn4cc(C)[nH+]c4C3)sc2C1 ZINC000623556592 469692618 /nfs/dbraw/zinc/69/26/18/469692618.db2.gz ONIVRQCXTKNYNK-GFCCVEGCSA-N 2 2 345.472 2.227 10 0 EEAELP OCCOC1(C[NH2+]Cc2cccc3[nH+]ccn32)CCC(F)(F)CC1 ZINC000623637106 469718271 /nfs/dbraw/zinc/71/82/71/469718271.db2.gz NSKDQBRNNWWDCP-UHFFFAOYSA-N 2 2 339.386 2.381 10 0 EEAELP Cc1cccc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Cl ZINC000617764945 469796264 /nfs/dbraw/zinc/79/62/64/469796264.db2.gz NICFKFLPLSOLQL-UHFFFAOYSA-N 2 2 325.884 2.191 10 0 EEAELP Cc1cccc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Cl ZINC000617764945 469796266 /nfs/dbraw/zinc/79/62/66/469796266.db2.gz NICFKFLPLSOLQL-UHFFFAOYSA-N 2 2 325.884 2.191 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccn1Cc1cccs1 ZINC000617767335 469798877 /nfs/dbraw/zinc/79/88/77/469798877.db2.gz PWZLGOZAOKAOIV-UHFFFAOYSA-N 2 2 348.516 2.211 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccn1Cc1cccs1 ZINC000617767335 469798878 /nfs/dbraw/zinc/79/88/78/469798878.db2.gz PWZLGOZAOKAOIV-UHFFFAOYSA-N 2 2 348.516 2.211 10 0 EEAELP CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC000617925923 469840963 /nfs/dbraw/zinc/84/09/63/469840963.db2.gz UWSCPEAJGVTFEV-GOSISDBHSA-N 2 2 340.471 2.417 10 0 EEAELP CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617925923 469840966 /nfs/dbraw/zinc/84/09/66/469840966.db2.gz UWSCPEAJGVTFEV-GOSISDBHSA-N 2 2 340.471 2.417 10 0 EEAELP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000627487609 469914024 /nfs/dbraw/zinc/91/40/24/469914024.db2.gz HHZLEZKJZNCMAM-RYQLBKOJSA-N 2 2 347.890 2.467 10 0 EEAELP C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000627487609 469914025 /nfs/dbraw/zinc/91/40/25/469914025.db2.gz HHZLEZKJZNCMAM-RYQLBKOJSA-N 2 2 347.890 2.467 10 0 EEAELP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000627487609 469914026 /nfs/dbraw/zinc/91/40/26/469914026.db2.gz HHZLEZKJZNCMAM-RYQLBKOJSA-N 2 2 347.890 2.467 10 0 EEAELP C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000627487609 469914027 /nfs/dbraw/zinc/91/40/27/469914027.db2.gz HHZLEZKJZNCMAM-RYQLBKOJSA-N 2 2 347.890 2.467 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000624591643 469984390 /nfs/dbraw/zinc/98/43/90/469984390.db2.gz ZKRZGQUDCPGCBS-MRXNPFEDSA-N 2 2 330.476 2.231 10 0 EEAELP C[N@H+](CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000630935988 470031126 /nfs/dbraw/zinc/03/11/26/470031126.db2.gz PAOSRXZRHOCHRV-UHFFFAOYSA-N 2 2 326.444 2.405 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CCCC1 ZINC000630935988 470031128 /nfs/dbraw/zinc/03/11/28/470031128.db2.gz PAOSRXZRHOCHRV-UHFFFAOYSA-N 2 2 326.444 2.405 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000628061716 470049870 /nfs/dbraw/zinc/04/98/70/470049870.db2.gz NWMNJDPFDDFDDC-BPQIPLTHSA-N 2 2 349.906 2.225 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000628061716 470049872 /nfs/dbraw/zinc/04/98/72/470049872.db2.gz NWMNJDPFDDFDDC-BPQIPLTHSA-N 2 2 349.906 2.225 10 0 EEAELP c1cn(-c2ccc(C[NH2+]Cc3nnc(C4CCOCC4)[nH]3)cc2)c[nH+]1 ZINC000631214946 470095754 /nfs/dbraw/zinc/09/57/54/470095754.db2.gz FLOZOIMPFJNSGI-UHFFFAOYSA-N 2 2 338.415 2.174 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000628475959 470110935 /nfs/dbraw/zinc/11/09/35/470110935.db2.gz QKNQITUSWLRSDO-UHFFFAOYSA-N 2 2 334.460 2.478 10 0 EEAELP Cn1c2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2oc1=O ZINC000631830291 470186093 /nfs/dbraw/zinc/18/60/93/470186093.db2.gz OJNWTXBVNCLPIJ-RYUDHWBXSA-N 2 2 343.349 2.091 10 0 EEAELP Cn1c2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2oc1=O ZINC000631830291 470186094 /nfs/dbraw/zinc/18/60/94/470186094.db2.gz OJNWTXBVNCLPIJ-RYUDHWBXSA-N 2 2 343.349 2.091 10 0 EEAELP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc2c1OCO2 ZINC000631886529 470189445 /nfs/dbraw/zinc/18/94/45/470189445.db2.gz IHNQJEQZJNQNIE-ZIAGYGMSSA-N 2 2 342.399 2.039 10 0 EEAELP c1cc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc2c1OCO2 ZINC000631886529 470189446 /nfs/dbraw/zinc/18/94/46/470189446.db2.gz IHNQJEQZJNQNIE-ZIAGYGMSSA-N 2 2 342.399 2.039 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000632795214 470271695 /nfs/dbraw/zinc/27/16/95/470271695.db2.gz WDEMGLRORUWSMK-ZWKOTPCHSA-N 2 2 342.418 2.060 10 0 EEAELP CC(C)[C@H]1N(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CC12CC=CC2 ZINC000645393034 470291657 /nfs/dbraw/zinc/29/16/57/470291657.db2.gz CRMNXDVLVFISEA-GOSISDBHSA-N 2 2 348.535 2.399 10 0 EEAELP COc1nsc(C[NH2+]CCC[NH+]2CCCC2)c1Br ZINC000638847813 470304287 /nfs/dbraw/zinc/30/42/87/470304287.db2.gz CSVRHKGIGLLHOK-UHFFFAOYSA-N 2 2 334.283 2.490 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633608595 470529398 /nfs/dbraw/zinc/52/93/98/470529398.db2.gz IFIBEDFBPADAPP-INIZCTEOSA-N 2 2 326.444 2.404 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633608595 470529403 /nfs/dbraw/zinc/52/94/03/470529403.db2.gz IFIBEDFBPADAPP-INIZCTEOSA-N 2 2 326.444 2.404 10 0 EEAELP CC(C)[NH+](CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1F)C(C)C ZINC000647188873 470852785 /nfs/dbraw/zinc/85/27/85/470852785.db2.gz PGIIYFBJBOGSEM-UHFFFAOYSA-N 2 2 345.484 2.072 10 0 EEAELP CC(C)Cn1nccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000648006914 471046828 /nfs/dbraw/zinc/04/68/28/471046828.db2.gz HGJJZIKTFMFALN-GOSISDBHSA-N 2 2 333.524 2.141 10 0 EEAELP CC(C)Cn1nccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000648006914 471046836 /nfs/dbraw/zinc/04/68/36/471046836.db2.gz HGJJZIKTFMFALN-GOSISDBHSA-N 2 2 333.524 2.141 10 0 EEAELP CC[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000644895733 471083970 /nfs/dbraw/zinc/08/39/70/471083970.db2.gz UGXXVZLJCGPWJB-BRWVUGGUSA-N 2 2 336.524 2.423 10 0 EEAELP CC[C@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000644895733 471083976 /nfs/dbraw/zinc/08/39/76/471083976.db2.gz UGXXVZLJCGPWJB-BRWVUGGUSA-N 2 2 336.524 2.423 10 0 EEAELP CCCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645173689 471163210 /nfs/dbraw/zinc/16/32/10/471163210.db2.gz HPBXVGKIGHHNGQ-QGZVFWFLSA-N 2 2 345.491 2.176 10 0 EEAELP CCCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645173689 471163214 /nfs/dbraw/zinc/16/32/14/471163214.db2.gz HPBXVGKIGHHNGQ-QGZVFWFLSA-N 2 2 345.491 2.176 10 0 EEAELP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4[nH+]ccn43)cc2)C1 ZINC000657594497 471178129 /nfs/dbraw/zinc/17/81/29/471178129.db2.gz AUROIYGJBRCCOC-LJQANCHMSA-N 3 2 336.439 2.191 10 0 EEAELP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc4[nH+]ccn43)cc2)C1 ZINC000657594497 471178133 /nfs/dbraw/zinc/17/81/33/471178133.db2.gz AUROIYGJBRCCOC-LJQANCHMSA-N 3 2 336.439 2.191 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000654845404 471199818 /nfs/dbraw/zinc/19/98/18/471199818.db2.gz NBRHZHMAIPGAHL-RDJZCZTQSA-N 2 2 326.444 2.162 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000654845404 471199823 /nfs/dbraw/zinc/19/98/23/471199823.db2.gz NBRHZHMAIPGAHL-RDJZCZTQSA-N 2 2 326.444 2.162 10 0 EEAELP CCCn1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801209 471235397 /nfs/dbraw/zinc/23/53/97/471235397.db2.gz OVUKOLHKUAXTOK-FQEVSTJZSA-N 2 2 341.503 2.199 10 0 EEAELP CCCn1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801209 471235399 /nfs/dbraw/zinc/23/53/99/471235399.db2.gz OVUKOLHKUAXTOK-FQEVSTJZSA-N 2 2 341.503 2.199 10 0 EEAELP CC(C)[NH+]1CCC(NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658343963 471291264 /nfs/dbraw/zinc/29/12/64/471291264.db2.gz MXDJSTRGQZLMQN-NRFANRHFSA-N 2 2 344.547 2.265 10 0 EEAELP CC(C)[NH+]1CCC(NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658343963 471291266 /nfs/dbraw/zinc/29/12/66/471291266.db2.gz MXDJSTRGQZLMQN-NRFANRHFSA-N 2 2 344.547 2.265 10 0 EEAELP CC(C)[NH+]1CCC([NH2+]C[C@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343963 471291268 /nfs/dbraw/zinc/29/12/68/471291268.db2.gz MXDJSTRGQZLMQN-NRFANRHFSA-N 2 2 344.547 2.265 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490338 471363711 /nfs/dbraw/zinc/36/37/11/471363711.db2.gz RBCXQTRQAKINKE-ZTFGCOKTSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490338 471363715 /nfs/dbraw/zinc/36/37/15/471363715.db2.gz RBCXQTRQAKINKE-ZTFGCOKTSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490338 471363716 /nfs/dbraw/zinc/36/37/16/471363716.db2.gz RBCXQTRQAKINKE-ZTFGCOKTSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490338 471363720 /nfs/dbraw/zinc/36/37/20/471363720.db2.gz RBCXQTRQAKINKE-ZTFGCOKTSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490338 471363724 /nfs/dbraw/zinc/36/37/24/471363724.db2.gz RBCXQTRQAKINKE-ZTFGCOKTSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490338 471363728 /nfs/dbraw/zinc/36/37/28/471363728.db2.gz RBCXQTRQAKINKE-ZTFGCOKTSA-N 2 2 341.446 2.001 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH3+])C1)n1cc[nH+]c1 ZINC000658952278 471447514 /nfs/dbraw/zinc/44/75/14/471447514.db2.gz PJPQJXPORQFWNY-IAOVAPTHSA-N 2 2 330.407 2.317 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655724512 471457613 /nfs/dbraw/zinc/45/76/13/471457613.db2.gz ZBLDJKWJJDGGMY-ZWKOTPCHSA-N 2 2 345.487 2.117 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2oc(-c3ccccc3)cc2C1 ZINC000653198297 471531318 /nfs/dbraw/zinc/53/13/18/471531318.db2.gz RADFUBHYAOUBGD-INIZCTEOSA-N 2 2 327.428 2.110 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000653273447 471562647 /nfs/dbraw/zinc/56/26/47/471562647.db2.gz BNAFTGVTOILNLJ-CYBMUJFWSA-N 2 2 329.366 2.090 10 0 EEAELP CCc1[nH+]c2cc(CNC(=O)NC/C=C/C[NH3+])ccc2n1C1CC1 ZINC000669582181 471565949 /nfs/dbraw/zinc/56/59/49/471565949.db2.gz RAXNYBUVJNOVTE-ONEGZZNKSA-N 2 2 327.432 2.248 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000670081481 471673100 /nfs/dbraw/zinc/67/31/00/471673100.db2.gz XXADEFWJYSXVTF-INIZCTEOSA-N 2 2 345.422 2.133 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000656332015 471683207 /nfs/dbraw/zinc/68/32/07/471683207.db2.gz KBKKKSWZZZLKEA-UHFFFAOYSA-N 2 2 347.507 2.260 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000659620845 471701988 /nfs/dbraw/zinc/70/19/88/471701988.db2.gz PSCHLNWFRABLQM-QGZVFWFLSA-N 2 2 347.507 2.482 10 0 EEAELP C[C@@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667249057 471709435 /nfs/dbraw/zinc/70/94/35/471709435.db2.gz LWESXDLFLVVWDC-CQSZACIVSA-N 2 2 327.432 2.007 10 0 EEAELP C[C@@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667249057 471709440 /nfs/dbraw/zinc/70/94/40/471709440.db2.gz LWESXDLFLVVWDC-CQSZACIVSA-N 2 2 327.432 2.007 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779333 471739375 /nfs/dbraw/zinc/73/93/75/471739375.db2.gz WNJSTSNRFDRGSY-MSOLQXFVSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779333 471739380 /nfs/dbraw/zinc/73/93/80/471739380.db2.gz WNJSTSNRFDRGSY-MSOLQXFVSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779333 471739386 /nfs/dbraw/zinc/73/93/86/471739386.db2.gz WNJSTSNRFDRGSY-MSOLQXFVSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779333 471739389 /nfs/dbraw/zinc/73/93/89/471739389.db2.gz WNJSTSNRFDRGSY-MSOLQXFVSA-N 2 2 338.467 2.162 10 0 EEAELP Cc1cccc(C)c1CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664466089 471760853 /nfs/dbraw/zinc/76/08/53/471760853.db2.gz UBVZGZHTNMJEBD-UHFFFAOYSA-N 2 2 334.508 2.029 10 0 EEAELP Cc1cccc(C)c1CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664466089 471760856 /nfs/dbraw/zinc/76/08/56/471760856.db2.gz UBVZGZHTNMJEBD-UHFFFAOYSA-N 2 2 334.508 2.029 10 0 EEAELP COC1CC(CC[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000656702072 471812171 /nfs/dbraw/zinc/81/21/71/471812171.db2.gz KEWULBVWHPQCSI-CGZBRXJRSA-N 2 2 331.460 2.419 10 0 EEAELP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)[C@H]1O ZINC000661627949 471831554 /nfs/dbraw/zinc/83/15/54/471831554.db2.gz RSMHGVALQFMGCK-KVPLUYHFSA-N 2 2 332.488 2.226 10 0 EEAELP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)[C@H]1O ZINC000661627949 471831559 /nfs/dbraw/zinc/83/15/59/471831559.db2.gz RSMHGVALQFMGCK-KVPLUYHFSA-N 2 2 332.488 2.226 10 0 EEAELP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)[C@H]1O ZINC000661627949 471831564 /nfs/dbraw/zinc/83/15/64/471831564.db2.gz RSMHGVALQFMGCK-KVPLUYHFSA-N 2 2 332.488 2.226 10 0 EEAELP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)[C@H]1O ZINC000661627949 471831566 /nfs/dbraw/zinc/83/15/66/471831566.db2.gz RSMHGVALQFMGCK-KVPLUYHFSA-N 2 2 332.488 2.226 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(C2CC2)cc1 ZINC000664740367 471849154 /nfs/dbraw/zinc/84/91/54/471849154.db2.gz JBHQKLWBJZDGIX-UHFFFAOYSA-N 2 2 332.492 2.247 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(C2CC2)cc1 ZINC000664740367 471849159 /nfs/dbraw/zinc/84/91/59/471849159.db2.gz JBHQKLWBJZDGIX-UHFFFAOYSA-N 2 2 332.492 2.247 10 0 EEAELP Cc1cccn2c(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)c[nH+]c12 ZINC000667950392 471959654 /nfs/dbraw/zinc/95/96/54/471959654.db2.gz CHZXDVMJWOGBBX-HNNXBMFYSA-N 2 2 345.447 2.217 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cn2cccn2)cc1F ZINC000665259279 471982930 /nfs/dbraw/zinc/98/29/30/471982930.db2.gz AOVBELZPGGZIEU-QRTARXTBSA-N 2 2 332.423 2.155 10 0 EEAELP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(C)C ZINC000662318596 472067301 /nfs/dbraw/zinc/06/73/01/472067301.db2.gz CGNCTJYQYQIKOX-IRXDYDNUSA-N 2 2 327.513 2.063 10 0 EEAELP CC(C)N(C(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C(C)C ZINC000662318596 472067306 /nfs/dbraw/zinc/06/73/06/472067306.db2.gz CGNCTJYQYQIKOX-IRXDYDNUSA-N 2 2 327.513 2.063 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000662525129 472139494 /nfs/dbraw/zinc/13/94/94/472139494.db2.gz QJJLBLAUHZWMIF-AWEZNQCLSA-N 2 2 340.493 2.210 10 0 EEAELP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC(C)(C)C1 ZINC000665717620 472153534 /nfs/dbraw/zinc/15/35/34/472153534.db2.gz MSRLSIUSKVNWCH-OAHLLOKOSA-N 2 2 336.524 2.375 10 0 EEAELP CCN(C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC(C)(C)C1 ZINC000665717620 472153540 /nfs/dbraw/zinc/15/35/40/472153540.db2.gz MSRLSIUSKVNWCH-OAHLLOKOSA-N 2 2 336.524 2.375 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)ccc1F ZINC000668798135 472273459 /nfs/dbraw/zinc/27/34/59/472273459.db2.gz IFIKPRLAEKUFSC-ZDUSSCGKSA-N 2 2 330.407 2.032 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)ccc1F ZINC000668798135 472273466 /nfs/dbraw/zinc/27/34/66/472273466.db2.gz IFIKPRLAEKUFSC-ZDUSSCGKSA-N 2 2 330.407 2.032 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000651364140 485538733 /nfs/dbraw/zinc/53/87/33/485538733.db2.gz UNCQDSGJZFWLBQ-QGZVFWFLSA-N 2 2 330.476 2.239 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccco1 ZINC000673810461 485540974 /nfs/dbraw/zinc/54/09/74/485540974.db2.gz PQOZEUZXTHLWNN-OAHLLOKOSA-N 2 2 340.387 2.285 10 0 EEAELP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000629597591 485738244 /nfs/dbraw/zinc/73/82/44/485738244.db2.gz OBAPKXFDACQZJR-LLVKDONJSA-N 2 2 349.219 2.272 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1F)C1CC1 ZINC000629597591 485738251 /nfs/dbraw/zinc/73/82/51/485738251.db2.gz OBAPKXFDACQZJR-LLVKDONJSA-N 2 2 349.219 2.272 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000684181837 485792597 /nfs/dbraw/zinc/79/25/97/485792597.db2.gz IKWVQKVOUOUCAE-SJORKVTESA-N 2 2 328.391 2.131 10 0 EEAELP COc1c[nH+]ccc1N1CCN(Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC000684627702 485946379 /nfs/dbraw/zinc/94/63/79/485946379.db2.gz GUBDBXFFPJGTHY-UHFFFAOYSA-N 2 2 337.427 2.369 10 0 EEAELP O[C@H](C[NH2+][C@H]1COc2c1ccc(Cl)c2Cl)C[NH+]1CCCC1 ZINC000675766156 486063695 /nfs/dbraw/zinc/06/36/95/486063695.db2.gz DVCUOLDEXIGSCU-MFKMUULPSA-N 2 2 331.243 2.473 10 0 EEAELP CCc1cc(C)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000680959874 486098822 /nfs/dbraw/zinc/09/88/22/486098822.db2.gz NDUMTVNCDDPDGO-JWTNVVGKSA-N 2 2 329.492 2.095 10 0 EEAELP CCc1cc(C)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000680959874 486098827 /nfs/dbraw/zinc/09/88/27/486098827.db2.gz NDUMTVNCDDPDGO-JWTNVVGKSA-N 2 2 329.492 2.095 10 0 EEAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000672956914 486242531 /nfs/dbraw/zinc/24/25/31/486242531.db2.gz HBLZFNDMECIJOL-INIZCTEOSA-N 2 2 326.444 2.086 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000672956914 486242532 /nfs/dbraw/zinc/24/25/32/486242532.db2.gz HBLZFNDMECIJOL-INIZCTEOSA-N 2 2 326.444 2.086 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000653741382 490589099 /nfs/dbraw/zinc/58/90/99/490589099.db2.gz AZFQOIYJKWCZTJ-UVBJJODRSA-N 2 2 328.416 2.153 10 0 EEAELP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000551986180 490625994 /nfs/dbraw/zinc/62/59/94/490625994.db2.gz WBOGYTORDZRWQH-WWGRRREGSA-N 2 2 328.416 2.418 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@@H](C)C1 ZINC000411429301 527744356 /nfs/dbraw/zinc/74/43/56/527744356.db2.gz WVAKWGVAFOCEJF-XJKSGUPXSA-N 2 2 346.475 2.134 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@@H](C)C1 ZINC000411429301 527744362 /nfs/dbraw/zinc/74/43/62/527744362.db2.gz WVAKWGVAFOCEJF-XJKSGUPXSA-N 2 2 346.475 2.134 10 0 EEAELP CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000236688067 534934688 /nfs/dbraw/zinc/93/46/88/534934688.db2.gz NPKBUVIWMVENOT-GJZGRUSLSA-N 2 2 348.491 2.077 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOCC[C@@H]2C)CC1 ZINC000775568039 577439683 /nfs/dbraw/zinc/43/96/83/577439683.db2.gz PLOIHDGIQANWJX-ROUUACIJSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOCC[C@@H]2C)CC1 ZINC000775568039 577439684 /nfs/dbraw/zinc/43/96/84/577439684.db2.gz PLOIHDGIQANWJX-ROUUACIJSA-N 2 2 345.487 2.003 10 0 EEAELP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000895438620 684600871 /nfs/dbraw/zinc/60/08/71/684600871.db2.gz HTCZDCJHNZVHRC-ZIAGYGMSSA-N 2 2 330.419 2.381 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccc(-c3nc(C4([NH3+])CC4)no3)cc2)C[C@@H](C)O1 ZINC000905318998 694600732 /nfs/dbraw/zinc/60/07/32/694600732.db2.gz KNYQLIIKRNFZSC-CHWSQXEVSA-N 2 2 328.416 2.294 10 0 EEAELP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001485526740 1191826575 /nfs/dbraw/zinc/82/65/75/1191826575.db2.gz QFCZGBZDMMOWLC-DOMZBBRYSA-N 2 2 338.883 2.012 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ncccn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485727542 1191919631 /nfs/dbraw/zinc/91/96/31/1191919631.db2.gz MIHVQIPUIUGRDO-CYBMUJFWSA-N 2 2 338.415 2.041 10 0 EEAELP C[N@H+](CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCC1 ZINC001485771732 1191944455 /nfs/dbraw/zinc/94/44/55/1191944455.db2.gz CRZVHGFTLOJALG-UHFFFAOYSA-N 2 2 330.432 2.041 10 0 EEAELP C[N@@H+](CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCC1 ZINC001485771732 1191944457 /nfs/dbraw/zinc/94/44/57/1191944457.db2.gz CRZVHGFTLOJALG-UHFFFAOYSA-N 2 2 330.432 2.041 10 0 EEAELP CC(C)=CC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001266409844 1176498814 /nfs/dbraw/zinc/49/88/14/1176498814.db2.gz RXYLUJWFVVMQJF-MSOLQXFVSA-N 2 2 345.491 2.241 10 0 EEAELP CC(C)=CC[NH2+][C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001266409844 1176498819 /nfs/dbraw/zinc/49/88/19/1176498819.db2.gz RXYLUJWFVVMQJF-MSOLQXFVSA-N 2 2 345.491 2.241 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001266847969 1177541050 /nfs/dbraw/zinc/54/10/50/1177541050.db2.gz FVENWFAVGGRQOO-KGLIPLIRSA-N 2 2 328.407 2.318 10 0 EEAELP C[NH+](CCC(=O)NCC[N@@H+](C)Cc1cncs1)C1CCCCC1 ZINC001480894785 1177661744 /nfs/dbraw/zinc/66/17/44/1177661744.db2.gz KJTPNPOVJLUEJW-UHFFFAOYSA-N 2 2 338.521 2.346 10 0 EEAELP C[NH+](CCC(=O)NCC[N@H+](C)Cc1cncs1)C1CCCCC1 ZINC001480894785 1177661750 /nfs/dbraw/zinc/66/17/50/1177661750.db2.gz KJTPNPOVJLUEJW-UHFFFAOYSA-N 2 2 338.521 2.346 10 0 EEAELP C[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)Cc1cncs1 ZINC001480894785 1177661755 /nfs/dbraw/zinc/66/17/55/1177661755.db2.gz KJTPNPOVJLUEJW-UHFFFAOYSA-N 2 2 338.521 2.346 10 0 EEAELP C[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)Cc1cncs1 ZINC001480894785 1177661760 /nfs/dbraw/zinc/66/17/60/1177661760.db2.gz KJTPNPOVJLUEJW-UHFFFAOYSA-N 2 2 338.521 2.346 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001481048723 1179624030 /nfs/dbraw/zinc/62/40/30/1179624030.db2.gz CDFCIIYPIQQPRA-OAHLLOKOSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001481048723 1179624032 /nfs/dbraw/zinc/62/40/32/1179624032.db2.gz CDFCIIYPIQQPRA-OAHLLOKOSA-N 2 2 347.850 2.021 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481126987 1179836085 /nfs/dbraw/zinc/83/60/85/1179836085.db2.gz XWYXAXUAWFJJQC-IBGZPJMESA-N 2 2 340.471 2.344 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC001481126987 1179836096 /nfs/dbraw/zinc/83/60/96/1179836096.db2.gz XWYXAXUAWFJJQC-IBGZPJMESA-N 2 2 340.471 2.344 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001481241986 1180411993 /nfs/dbraw/zinc/41/19/93/1180411993.db2.gz CLLODZOOMJUAKW-IAGOWNOFSA-N 2 2 326.444 2.378 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001481241986 1180411999 /nfs/dbraw/zinc/41/19/99/1180411999.db2.gz CLLODZOOMJUAKW-IAGOWNOFSA-N 2 2 326.444 2.378 10 0 EEAELP Cc1nocc1C[N@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481452343 1181389892 /nfs/dbraw/zinc/38/98/92/1181389892.db2.gz VDPFFGSDUIPTKS-GOEBONIOSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1nocc1C[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481452343 1181389898 /nfs/dbraw/zinc/38/98/98/1181389898.db2.gz VDPFFGSDUIPTKS-GOEBONIOSA-N 2 2 345.447 2.159 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268077011 1181678677 /nfs/dbraw/zinc/67/86/77/1181678677.db2.gz UYPRGAIZQYZDDH-INIZCTEOSA-N 2 2 328.460 2.032 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001268163074 1181877305 /nfs/dbraw/zinc/87/73/05/1181877305.db2.gz QUHADNBDKOGXKU-CYBMUJFWSA-N 2 2 346.397 2.276 10 0 EEAELP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001481768869 1182653068 /nfs/dbraw/zinc/65/30/68/1182653068.db2.gz UBCJBXNHVSJWAW-IAGOWNOFSA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001481768869 1182653072 /nfs/dbraw/zinc/65/30/72/1182653072.db2.gz UBCJBXNHVSJWAW-IAGOWNOFSA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001481768869 1182653074 /nfs/dbraw/zinc/65/30/74/1182653074.db2.gz UBCJBXNHVSJWAW-IAGOWNOFSA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001481768869 1182653076 /nfs/dbraw/zinc/65/30/76/1182653076.db2.gz UBCJBXNHVSJWAW-IAGOWNOFSA-N 2 2 348.491 2.280 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]C/C(Cl)=C\Cl ZINC001481852025 1182802917 /nfs/dbraw/zinc/80/29/17/1182802917.db2.gz LQHZMKWCESOAPN-HCEGRNQMSA-N 2 2 345.274 2.327 10 0 EEAELP CO[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481981804 1183077417 /nfs/dbraw/zinc/07/74/17/1183077417.db2.gz YUPMPPQOUSFMPQ-CABCVRRESA-N 2 2 344.459 2.430 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(F)(F)C(F)F ZINC001482173108 1183500084 /nfs/dbraw/zinc/50/00/84/1183500084.db2.gz FXGOKNAZICWSOD-RYUDHWBXSA-N 2 2 341.393 2.103 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(F)(F)C(F)F ZINC001482173108 1183500086 /nfs/dbraw/zinc/50/00/86/1183500086.db2.gz FXGOKNAZICWSOD-RYUDHWBXSA-N 2 2 341.393 2.103 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)CCc1c[nH+]cn1C ZINC001268619694 1183536888 /nfs/dbraw/zinc/53/68/88/1183536888.db2.gz ARMPPQSRSJAPDB-AATRIKPKSA-N 2 2 326.444 2.123 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]cn2C)c1 ZINC001268620922 1183540652 /nfs/dbraw/zinc/54/06/52/1183540652.db2.gz GFIDZTKHZSLLHO-PLNGDYQASA-N 2 2 340.471 2.432 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001268633241 1183560788 /nfs/dbraw/zinc/56/07/88/1183560788.db2.gz KXNDFLLDGREILH-NLVOMGJBSA-N 2 2 344.846 2.486 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC001268803945 1183722033 /nfs/dbraw/zinc/72/20/33/1183722033.db2.gz UWPQDNRQWJWBCC-MRXNPFEDSA-N 2 2 346.500 2.454 10 0 EEAELP CC(C)OCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001270745056 1185361895 /nfs/dbraw/zinc/36/18/95/1185361895.db2.gz UBZWRHQTVOUPKN-LJQANCHMSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1nc(C[NH2+][C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)C)co1 ZINC001482556188 1186728301 /nfs/dbraw/zinc/72/83/01/1186728301.db2.gz GDHDOHMXUVJAIE-CJNGLKHVSA-N 2 2 333.436 2.061 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001482693313 1187660149 /nfs/dbraw/zinc/66/01/49/1187660149.db2.gz LWLLZAHYTWQPGM-GDBMZVCRSA-N 2 2 346.500 2.439 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482846449 1187765256 /nfs/dbraw/zinc/76/52/56/1187765256.db2.gz UAZSYNYBKJSZJG-GOEBONIOSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cs1 ZINC001483020372 1188007782 /nfs/dbraw/zinc/00/77/82/1188007782.db2.gz AXDANTYBWLCMTA-SWVJOTTGSA-N 2 2 330.457 2.345 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)CCc1[nH+]ccn1C ZINC001483035948 1188062617 /nfs/dbraw/zinc/06/26/17/1188062617.db2.gz CGLVANGPDAIGJB-ONEGZZNKSA-N 2 2 344.434 2.262 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001691573636 1188271090 /nfs/dbraw/zinc/27/10/90/1188271090.db2.gz AXZLFAPZERKGJX-ZDUSSCGKSA-N 2 2 328.407 2.134 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccsc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483145350 1188767990 /nfs/dbraw/zinc/76/79/90/1188767990.db2.gz XDDHRSCSCCRGTM-ZBFHGGJFSA-N 2 2 346.500 2.234 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001272873135 1193587928 /nfs/dbraw/zinc/58/79/28/1193587928.db2.gz HEEJCIPKIPTSFW-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)s1 ZINC001409403714 1189630661 /nfs/dbraw/zinc/63/06/61/1189630661.db2.gz YLLFWVUWGAQGDW-NWDGAFQWSA-N 2 2 335.477 2.030 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483267555 1190291915 /nfs/dbraw/zinc/29/19/15/1190291915.db2.gz OCDXBKGSIGCMNE-CGTJXYLNSA-N 2 2 340.471 2.251 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001483347124 1190383343 /nfs/dbraw/zinc/38/33/43/1190383343.db2.gz HUIHMWUBXGFLTR-PBHICJAKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001483347124 1190383349 /nfs/dbraw/zinc/38/33/49/1190383349.db2.gz HUIHMWUBXGFLTR-PBHICJAKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483347124 1190383354 /nfs/dbraw/zinc/38/33/54/1190383354.db2.gz HUIHMWUBXGFLTR-PBHICJAKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001483347124 1190383359 /nfs/dbraw/zinc/38/33/59/1190383359.db2.gz HUIHMWUBXGFLTR-PBHICJAKSA-N 2 2 348.491 2.327 10 0 EEAELP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483356848 1190395517 /nfs/dbraw/zinc/39/55/17/1190395517.db2.gz MGUIVXSHGNIEOE-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483356848 1190395520 /nfs/dbraw/zinc/39/55/20/1190395520.db2.gz MGUIVXSHGNIEOE-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001483371898 1190415493 /nfs/dbraw/zinc/41/54/93/1190415493.db2.gz XPXZTXHRTSADDN-CRAIPNDOSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@H](C[N@@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001483371898 1190415494 /nfs/dbraw/zinc/41/54/94/1190415494.db2.gz XPXZTXHRTSADDN-CRAIPNDOSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCOc2ccccc2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001486088368 1193678053 /nfs/dbraw/zinc/67/80/53/1193678053.db2.gz HFZRDTZWEHRJJM-MAUKXSAKSA-N 2 2 342.443 2.000 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC[C@@H]1CCCO1)C1CC1)c1cccc2[nH+]ccn21 ZINC001483574949 1190564188 /nfs/dbraw/zinc/56/41/88/1190564188.db2.gz JIINSBBYSOQGBV-HOTGVXAUSA-N 2 2 342.443 2.001 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001483601793 1190582853 /nfs/dbraw/zinc/58/28/53/1190582853.db2.gz LKSGEIPJTOUJHU-INIZCTEOSA-N 2 2 332.473 2.099 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483660977 1190723040 /nfs/dbraw/zinc/72/30/40/1190723040.db2.gz GAJFNNHCSBEEFV-PPPANMTLSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483660977 1190723042 /nfs/dbraw/zinc/72/30/42/1190723042.db2.gz GAJFNNHCSBEEFV-PPPANMTLSA-N 2 2 330.476 2.382 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001483932799 1191122973 /nfs/dbraw/zinc/12/29/73/1191122973.db2.gz QNPHNFDEJOYDPC-SFHVURJKSA-N 2 2 326.444 2.166 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001483932799 1191122974 /nfs/dbraw/zinc/12/29/74/1191122974.db2.gz QNPHNFDEJOYDPC-SFHVURJKSA-N 2 2 326.444 2.166 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001484053776 1191177600 /nfs/dbraw/zinc/17/76/00/1191177600.db2.gz HUDUBJRNYYYQGA-IEBWSBKVSA-N 2 2 348.491 2.059 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1)C1CCCC1 ZINC001484053776 1191177602 /nfs/dbraw/zinc/17/76/02/1191177602.db2.gz HUDUBJRNYYYQGA-IEBWSBKVSA-N 2 2 348.491 2.059 10 0 EEAELP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001484526768 1191395572 /nfs/dbraw/zinc/39/55/72/1191395572.db2.gz HQHSFKYAFYEFFQ-DLBZAZTESA-N 2 2 330.476 2.240 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]C/C=C/c2ccccc2)C1 ZINC001484544358 1191407173 /nfs/dbraw/zinc/40/71/73/1191407173.db2.gz VBNWSIQVGQQIBJ-WEBJUUICSA-N 2 2 338.455 2.494 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1COCC[N@@H+]1CC1CCCC1 ZINC001484602434 1191435124 /nfs/dbraw/zinc/43/51/24/1191435124.db2.gz AXHMESADYOATQQ-QGZVFWFLSA-N 2 2 348.491 2.014 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1COCC[N@H+]1CC1CCCC1 ZINC001484602434 1191435126 /nfs/dbraw/zinc/43/51/26/1191435126.db2.gz AXHMESADYOATQQ-QGZVFWFLSA-N 2 2 348.491 2.014 10 0 EEAELP CCc1cnc(C[NH2+]C2(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CCC2)o1 ZINC001484663015 1191462977 /nfs/dbraw/zinc/46/29/77/1191462977.db2.gz DKHVDFHZEROCRC-GASCZTMLSA-N 2 2 348.491 2.238 10 0 EEAELP CCc1cnc(C[NH2+]C2(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CCC2)o1 ZINC001484663015 1191462978 /nfs/dbraw/zinc/46/29/78/1191462978.db2.gz DKHVDFHZEROCRC-GASCZTMLSA-N 2 2 348.491 2.238 10 0 EEAELP CC(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCCn1cc[nH+]c1)O2 ZINC001484792227 1191527635 /nfs/dbraw/zinc/52/76/35/1191527635.db2.gz XJVJHSQMAKFXGQ-QGZVFWFLSA-N 2 2 348.491 2.059 10 0 EEAELP CCC1([NH2+]C[C@@H](C)OC)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001484816564 1191538156 /nfs/dbraw/zinc/53/81/56/1191538156.db2.gz MPFCJKPSYWTGGL-JKSUJKDBSA-N 2 2 336.480 2.230 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCC2=CCCCC2)CCOCC1 ZINC001484869557 1191555819 /nfs/dbraw/zinc/55/58/19/1191555819.db2.gz PNBHLWRCKZSWDH-UHFFFAOYSA-N 2 2 346.475 2.098 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CC2CCCCCC2)CCOCC1 ZINC001484870798 1191556396 /nfs/dbraw/zinc/55/63/96/1191556396.db2.gz IREDEKNPSLIAEX-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP COc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001485317325 1191731869 /nfs/dbraw/zinc/73/18/69/1191731869.db2.gz SHDVTXFWGZFIFI-IAOVAPTHSA-N 2 2 342.443 2.159 10 0 EEAELP COc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001485317325 1191731871 /nfs/dbraw/zinc/73/18/71/1191731871.db2.gz SHDVTXFWGZFIFI-IAOVAPTHSA-N 2 2 342.443 2.159 10 0 EEAELP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccnc(Cl)c1 ZINC001485394232 1191771925 /nfs/dbraw/zinc/77/19/25/1191771925.db2.gz GFFZUFRAFDLVBO-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccnc(Cl)c1 ZINC001485394232 1191771927 /nfs/dbraw/zinc/77/19/27/1191771927.db2.gz GFFZUFRAFDLVBO-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccnc(Cl)c1 ZINC001485394233 1191771939 /nfs/dbraw/zinc/77/19/39/1191771939.db2.gz GFFZUFRAFDLVBO-CQSZACIVSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccnc(Cl)c1 ZINC001485394233 1191771941 /nfs/dbraw/zinc/77/19/41/1191771941.db2.gz GFFZUFRAFDLVBO-CQSZACIVSA-N 2 2 349.866 2.348 10 0 EEAELP Cc1cccc(C)c1OCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485396071 1191772695 /nfs/dbraw/zinc/77/26/95/1191772695.db2.gz UPSXNXOUXMHZGG-KRWDZBQOSA-N 2 2 344.459 2.015 10 0 EEAELP Cc1cccc(C)c1OCC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485396071 1191772697 /nfs/dbraw/zinc/77/26/97/1191772697.db2.gz UPSXNXOUXMHZGG-KRWDZBQOSA-N 2 2 344.459 2.015 10 0 EEAELP CCCC[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001485466011 1191795262 /nfs/dbraw/zinc/79/52/62/1191795262.db2.gz LQCXOLSCAXKNHZ-CVEARBPZSA-N 2 2 344.459 2.249 10 0 EEAELP CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C(F)(F)F ZINC001486453022 1193975075 /nfs/dbraw/zinc/97/50/75/1193975075.db2.gz UAZBZYVLBJLCQI-TZMCWYRMSA-N 2 2 346.397 2.430 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c(F)c1 ZINC001486524074 1194046886 /nfs/dbraw/zinc/04/68/86/1194046886.db2.gz OLJQMVXDQCKLCV-HNNXBMFYSA-N 2 2 344.434 2.401 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CCOCC1CCC1 ZINC001273017513 1194324231 /nfs/dbraw/zinc/32/42/31/1194324231.db2.gz LPWBOSATIJJRMU-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001273043127 1194347970 /nfs/dbraw/zinc/34/79/70/1194347970.db2.gz AZTXVEQGMOHHJT-JKSUJKDBSA-N 2 2 329.448 2.222 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1csc(C2CC2)n1 ZINC001273152626 1197087598 /nfs/dbraw/zinc/08/75/98/1197087598.db2.gz ZLABRRKLAPJYLL-NSHDSACASA-N 2 2 347.488 2.279 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]C/C(Cl)=C\Cl ZINC001410369759 1197761142 /nfs/dbraw/zinc/76/11/42/1197761142.db2.gz BLSDPVQLNIVNLY-YJTPHCHXSA-N 2 2 345.274 2.201 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)co1 ZINC001410523783 1198084977 /nfs/dbraw/zinc/08/49/77/1198084977.db2.gz WNLIGJMQBGVJRW-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP CC1(C)SC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000132647230 1202116515 /nfs/dbraw/zinc/11/65/15/1202116515.db2.gz IAMFLUGYMFNNHS-UHFFFAOYSA-N 2 2 325.478 2.226 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001274141865 1204400487 /nfs/dbraw/zinc/40/04/87/1204400487.db2.gz JQWWVNBCEDZQNK-LHRDXKRPSA-N 2 2 338.455 2.216 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)[C@H](CC)[N@@H+]2CCO[C@H](CC)C2)CC1 ZINC001411738497 1205506624 /nfs/dbraw/zinc/50/66/24/1205506624.db2.gz DHAWBVQXJYRPGE-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)[C@H](CC)[N@H+]2CCO[C@H](CC)C2)CC1 ZINC001411738497 1205506626 /nfs/dbraw/zinc/50/66/26/1205506626.db2.gz DHAWBVQXJYRPGE-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@@H+]1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001412171407 1205661708 /nfs/dbraw/zinc/66/17/08/1205661708.db2.gz WVSNBWOFDWGGFP-WCXIOVBPSA-N 2 2 328.460 2.215 10 0 EEAELP C[N@H+]1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001412171407 1205661709 /nfs/dbraw/zinc/66/17/09/1205661709.db2.gz WVSNBWOFDWGGFP-WCXIOVBPSA-N 2 2 328.460 2.215 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276057764 1205756137 /nfs/dbraw/zinc/75/61/37/1205756137.db2.gz CVHWWAYQWWUXNJ-IAGOWNOFSA-N 2 2 326.444 2.194 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276057764 1205756140 /nfs/dbraw/zinc/75/61/40/1205756140.db2.gz CVHWWAYQWWUXNJ-IAGOWNOFSA-N 2 2 326.444 2.194 10 0 EEAELP Cc1cccc(NCCNC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)[nH+]1 ZINC000923917888 1205926493 /nfs/dbraw/zinc/92/64/93/1205926493.db2.gz BZHWPKRJKBVAMK-QGZVFWFLSA-N 2 2 339.443 2.288 10 0 EEAELP Cc1cccc(NCCNC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)[nH+]1 ZINC000923917888 1205926494 /nfs/dbraw/zinc/92/64/94/1205926494.db2.gz BZHWPKRJKBVAMK-QGZVFWFLSA-N 2 2 339.443 2.288 10 0 EEAELP COc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc2ccccc21 ZINC000924838508 1206040284 /nfs/dbraw/zinc/04/02/84/1206040284.db2.gz FASLOFQDWXCXDE-OAHLLOKOSA-N 2 2 341.455 2.273 10 0 EEAELP Fc1cccc([C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)N2CCOCC2)c1 ZINC000925485339 1206118886 /nfs/dbraw/zinc/11/88/86/1206118886.db2.gz AUPLCTGTOPSCOF-MSOLQXFVSA-N 2 2 333.451 2.073 10 0 EEAELP CCCN(C)c1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926186403 1206202380 /nfs/dbraw/zinc/20/23/80/1206202380.db2.gz MUYSWXJFRRYUTC-UHFFFAOYSA-N 2 2 333.480 2.077 10 0 EEAELP C(C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OC1CCSCC1 ZINC000930319252 1206549188 /nfs/dbraw/zinc/54/91/88/1206549188.db2.gz IZOZLJVITMTLDO-INIZCTEOSA-N 2 2 328.522 2.085 10 0 EEAELP C(C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1)OC1CCSCC1 ZINC000930319252 1206549189 /nfs/dbraw/zinc/54/91/89/1206549189.db2.gz IZOZLJVITMTLDO-INIZCTEOSA-N 2 2 328.522 2.085 10 0 EEAELP O=[S@@](CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000931708218 1207445690 /nfs/dbraw/zinc/44/56/90/1207445690.db2.gz YISYQVFQRLZHTN-XMHCIUCPSA-N 2 2 331.363 2.483 10 0 EEAELP CN(CCCC[NH+](C)C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900770142 1234788420 /nfs/dbraw/zinc/78/84/20/1234788420.db2.gz RXZGRKXGASZLIR-UHFFFAOYSA-N 2 2 343.475 2.409 10 0 EEAELP C/C(=C/C(=O)NC1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000900978057 1235071528 /nfs/dbraw/zinc/07/15/28/1235071528.db2.gz BAXVKIRVPBPIRG-ICFOKQHNSA-N 2 2 349.519 2.178 10 0 EEAELP COc1ccc(C[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1C ZINC000903888918 1242340715 /nfs/dbraw/zinc/34/07/15/1242340715.db2.gz MZIUSAVXINBDJO-INIZCTEOSA-N 2 2 329.448 2.152 10 0 EEAELP COc1ccc(C[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1C ZINC000903888918 1242340725 /nfs/dbraw/zinc/34/07/25/1242340725.db2.gz MZIUSAVXINBDJO-INIZCTEOSA-N 2 2 329.448 2.152 10 0 EEAELP COc1cc2c(c(C[NH2+]C[C@@H]3C[NH2+]CCC3(F)F)c1)O[C@H](C)C2 ZINC000903954817 1242692960 /nfs/dbraw/zinc/69/29/60/1242692960.db2.gz GTWCQZMIUSYKOO-RISCZKNCSA-N 2 2 326.387 2.353 10 0 EEAELP COCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001490984365 1258541967 /nfs/dbraw/zinc/54/19/67/1258541967.db2.gz SLRYGAYPBVHHRO-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP COCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001490984365 1258541971 /nfs/dbraw/zinc/54/19/71/1258541971.db2.gz SLRYGAYPBVHHRO-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP CC(C)OCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491226006 1258809724 /nfs/dbraw/zinc/80/97/24/1258809724.db2.gz KNSOEUCLQXSJIM-SJORKVTESA-N 2 2 336.480 2.230 10 0 EEAELP CC(C)OCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491226006 1258809727 /nfs/dbraw/zinc/80/97/27/1258809727.db2.gz KNSOEUCLQXSJIM-SJORKVTESA-N 2 2 336.480 2.230 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001491507054 1259157443 /nfs/dbraw/zinc/15/74/43/1259157443.db2.gz GWTYGAUGFQWKMJ-ZBFHGGJFSA-N 2 2 330.476 2.120 10 0 EEAELP Cc1ccccc1[C@H](O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000852042463 1291968016 /nfs/dbraw/zinc/96/80/16/1291968016.db2.gz WVUWXAHFCJICMT-UYAOXDASSA-N 2 2 334.504 2.442 10 0 EEAELP Cc1ccccc1[C@H](O)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852042463 1291968017 /nfs/dbraw/zinc/96/80/17/1291968017.db2.gz WVUWXAHFCJICMT-UYAOXDASSA-N 2 2 334.504 2.442 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Br)n1 ZINC000858196009 1294041739 /nfs/dbraw/zinc/04/17/39/1294041739.db2.gz GDUHFKVQTKJKHS-ZDUSSCGKSA-N 2 2 341.297 2.394 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Br)n1 ZINC000858196009 1294041743 /nfs/dbraw/zinc/04/17/43/1294041743.db2.gz GDUHFKVQTKJKHS-ZDUSSCGKSA-N 2 2 341.297 2.394 10 0 EEAELP CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000862295096 1295784807 /nfs/dbraw/zinc/78/48/07/1295784807.db2.gz YHHCEUHNDSYPKF-ZDUSSCGKSA-N 2 2 333.423 2.317 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1=CCCCC1 ZINC001277865149 1304967020 /nfs/dbraw/zinc/96/70/20/1304967020.db2.gz YKUDJWBVBVJZHB-WBVHZDCISA-N 2 2 330.476 2.382 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001278617555 1317377677 /nfs/dbraw/zinc/37/76/77/1317377677.db2.gz BRRHGUKLHCOBFC-RDJZCZTQSA-N 2 2 344.434 2.139 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)Cc2[nH]cc[nH+]2)o1 ZINC001263958651 1322570506 /nfs/dbraw/zinc/57/05/06/1322570506.db2.gz OYEIVRLGXHOECQ-BBRMVZONSA-N 2 2 345.447 2.056 10 0 EEAELP COCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001265479091 1323175193 /nfs/dbraw/zinc/17/51/93/1323175193.db2.gz ZZLVKHYQVOZWJR-QAQDUYKDSA-N 2 2 344.459 2.310 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)C[C@H]3CC[C@H](C)O3)ccn12 ZINC001265846248 1323421613 /nfs/dbraw/zinc/42/16/13/1323421613.db2.gz YXIJUYMBGJZVEH-DOTOQJQBSA-N 2 2 344.459 2.262 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)C[C@H]3CC[C@H](C)O3)ccn12 ZINC001265846248 1323421618 /nfs/dbraw/zinc/42/16/18/1323421618.db2.gz YXIJUYMBGJZVEH-DOTOQJQBSA-N 2 2 344.459 2.262 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265989992 1323548328 /nfs/dbraw/zinc/54/83/28/1323548328.db2.gz KTVBNXOVLRPDJJ-QCDWVSHVSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265991133 1323549259 /nfs/dbraw/zinc/54/92/59/1323549259.db2.gz ZTBGBEPUFIGOAH-OAZXXZECSA-N 2 2 330.476 2.240 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCC(F)(F)F ZINC001266057910 1323609775 /nfs/dbraw/zinc/60/97/75/1323609775.db2.gz SJLMDFJYIXWTCE-ZDUSSCGKSA-N 2 2 346.397 2.226 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CCC(F)(F)F ZINC001266057910 1323609780 /nfs/dbraw/zinc/60/97/80/1323609780.db2.gz SJLMDFJYIXWTCE-ZDUSSCGKSA-N 2 2 346.397 2.226 10 0 EEAELP COCCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001279116022 1323834186 /nfs/dbraw/zinc/83/41/86/1323834186.db2.gz YCCOMRCIFQJDAT-ZBFHGGJFSA-N 2 2 344.459 2.287 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001280140793 1324094794 /nfs/dbraw/zinc/09/47/94/1324094794.db2.gz OWNPMXVHAHZXFR-CYBMUJFWSA-N 2 2 332.370 2.054 10 0 EEAELP C[C@@H](c1ncccn1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001281970596 1325545145 /nfs/dbraw/zinc/54/51/45/1325545145.db2.gz WXDHIWNGYRTXFQ-IRXDYDNUSA-N 2 2 347.507 2.192 10 0 EEAELP C[C@@H](c1ncccn1)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001281970596 1325545152 /nfs/dbraw/zinc/54/51/52/1325545152.db2.gz WXDHIWNGYRTXFQ-IRXDYDNUSA-N 2 2 347.507 2.192 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491597170 1330178895 /nfs/dbraw/zinc/17/88/95/1330178895.db2.gz YBRIHODWDZRUJZ-UONOGXRCSA-N 2 2 348.422 2.276 10 0 EEAELP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCc2ccccc2C1 ZINC001492363758 1331189473 /nfs/dbraw/zinc/18/94/73/1331189473.db2.gz UUHPMSWXZXCXMY-QGZVFWFLSA-N 2 2 340.471 2.126 10 0 EEAELP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCc2ccccc2C1 ZINC001492363758 1331189475 /nfs/dbraw/zinc/18/94/75/1331189475.db2.gz UUHPMSWXZXCXMY-QGZVFWFLSA-N 2 2 340.471 2.126 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H](C[NH2+]CCC2CC2)C1 ZINC001316702297 1331384634 /nfs/dbraw/zinc/38/46/34/1331384634.db2.gz XZEIPGFEQQUUBJ-SUMDDJOVSA-N 2 2 344.503 2.462 10 0 EEAELP CCc1noc(C)c1C[NH2+]CCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317599552 1332318800 /nfs/dbraw/zinc/31/88/00/1332318800.db2.gz YJNDUGFNKVHBRP-UHFFFAOYSA-N 2 2 347.463 2.034 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)c(C)c1 ZINC001317606299 1332322738 /nfs/dbraw/zinc/32/27/38/1332322738.db2.gz MUFWAFCWGZFADT-GOSISDBHSA-N 2 2 340.471 2.311 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001318428671 1332532865 /nfs/dbraw/zinc/53/28/65/1332532865.db2.gz MBPDXRLCHPIPIV-CABCVRRESA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001318428671 1332532866 /nfs/dbraw/zinc/53/28/66/1332532866.db2.gz MBPDXRLCHPIPIV-CABCVRRESA-N 2 2 338.883 2.108 10 0 EEAELP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001318807341 1332602589 /nfs/dbraw/zinc/60/25/89/1332602589.db2.gz YHTUTKVNVVMAFS-IRXDYDNUSA-N 2 2 332.492 2.320 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001319503557 1332712601 /nfs/dbraw/zinc/71/26/01/1332712601.db2.gz UZXVJZRUUKSXSP-CYBMUJFWSA-N 2 2 349.866 2.038 10 0 EEAELP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001319757350 1332759733 /nfs/dbraw/zinc/75/97/33/1332759733.db2.gz BRRJHZWQJQQMEJ-QGZVFWFLSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001319757350 1332759738 /nfs/dbraw/zinc/75/97/38/1332759738.db2.gz BRRJHZWQJQQMEJ-QGZVFWFLSA-N 2 2 345.447 2.200 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cn1 ZINC001319781100 1332766536 /nfs/dbraw/zinc/76/65/36/1332766536.db2.gz OOSOHIYWOJDADL-INIZCTEOSA-N 2 2 345.422 2.047 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001320105223 1332827612 /nfs/dbraw/zinc/82/76/12/1332827612.db2.gz XGQYEMSKLYLYHB-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@H]21 ZINC001320105223 1332827614 /nfs/dbraw/zinc/82/76/14/1332827614.db2.gz XGQYEMSKLYLYHB-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH2+]CCCC2CCC2)c(C)[nH+]1 ZINC001320250305 1332852444 /nfs/dbraw/zinc/85/24/44/1332852444.db2.gz PANGLQBXYBJOPR-KRWDZBQOSA-N 2 2 333.476 2.267 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CCc1[nH+]ccn1C ZINC001320502181 1332898859 /nfs/dbraw/zinc/89/88/59/1332898859.db2.gz WXPLGKSFPNZMAJ-KGLIPLIRSA-N 2 2 342.434 2.273 10 0 EEAELP CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001320854327 1332965929 /nfs/dbraw/zinc/96/59/29/1332965929.db2.gz ONHREYMKDWWAJP-CQSZACIVSA-N 2 2 333.411 2.007 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH+]cn2C)cc1C ZINC001321371806 1333087861 /nfs/dbraw/zinc/08/78/61/1333087861.db2.gz IKAIHKOPIATNRJ-SNAWJCMRSA-N 2 2 340.471 2.432 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CCc1ccc2ccccc2c1 ZINC001323371919 1333450813 /nfs/dbraw/zinc/45/08/13/1333450813.db2.gz PINDSGVZWXZTJQ-HXUWFJFHSA-N 2 2 348.450 2.470 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CCc1ccc2ccccc2c1 ZINC001323371919 1333450817 /nfs/dbraw/zinc/45/08/17/1333450817.db2.gz PINDSGVZWXZTJQ-HXUWFJFHSA-N 2 2 348.450 2.470 10 0 EEAELP CN(C(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCCOc2ccccc2)C1 ZINC001323934351 1333575586 /nfs/dbraw/zinc/57/55/86/1333575586.db2.gz RUTCHFCAZBIHTM-UHFFFAOYSA-N 2 2 345.487 2.082 10 0 EEAELP CN(C(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CCCOc2ccccc2)C1 ZINC001323934351 1333575590 /nfs/dbraw/zinc/57/55/90/1333575590.db2.gz RUTCHFCAZBIHTM-UHFFFAOYSA-N 2 2 345.487 2.082 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001326304004 1334063977 /nfs/dbraw/zinc/06/39/77/1334063977.db2.gz OFDAFYVWDALMBC-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001326304000 1334064029 /nfs/dbraw/zinc/06/40/29/1334064029.db2.gz OFDAFYVWDALMBC-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001326419989 1334090208 /nfs/dbraw/zinc/09/02/08/1334090208.db2.gz WHUPCAOAKVSWEQ-ZDUSSCGKSA-N 2 2 340.418 2.134 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCO[C@H](C[NH2+]CCCCCF)C1 ZINC001326991208 1334198489 /nfs/dbraw/zinc/19/84/89/1334198489.db2.gz PLTNEUOVQJIWAA-OAHLLOKOSA-N 2 2 348.422 2.133 10 0 EEAELP CCOCCC[NH2+]C1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001328029068 1334381259 /nfs/dbraw/zinc/38/12/59/1334381259.db2.gz LVFBBHCLDWUTNQ-MRXNPFEDSA-N 2 2 336.480 2.232 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001330071435 1334773720 /nfs/dbraw/zinc/77/37/20/1334773720.db2.gz NSVAJRCPGVZLGW-CYBMUJFWSA-N 2 2 338.883 2.013 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001330071435 1334773722 /nfs/dbraw/zinc/77/37/22/1334773722.db2.gz NSVAJRCPGVZLGW-CYBMUJFWSA-N 2 2 338.883 2.013 10 0 EEAELP COCCCC[N@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001333354737 1336018546 /nfs/dbraw/zinc/01/85/46/1336018546.db2.gz PERNYGLVEOVQII-UHFFFAOYSA-N 2 2 348.491 2.102 10 0 EEAELP COCCCC[N@@H+]1CC=C(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001333354737 1336018554 /nfs/dbraw/zinc/01/85/54/1336018554.db2.gz PERNYGLVEOVQII-UHFFFAOYSA-N 2 2 348.491 2.102 10 0 EEAELP Cn1c[nH+]cc1C1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC001620678974 1352361980 /nfs/dbraw/zinc/36/19/80/1352361980.db2.gz OVEPIAQOFBAIPQ-UHFFFAOYSA-N 2 2 337.427 2.010 10 0 EEAELP CN(CC[NH2+]CCCc1ccsc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001664023170 1355076169 /nfs/dbraw/zinc/07/61/69/1355076169.db2.gz HSEIFULOENTUCZ-INIZCTEOSA-N 2 2 346.500 2.188 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001667013856 1355632808 /nfs/dbraw/zinc/63/28/08/1355632808.db2.gz UKKVMOGIOPFUMO-INIZCTEOSA-N 2 2 339.524 2.114 10 0 EEAELP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1Cl ZINC001433970735 1341734300 /nfs/dbraw/zinc/73/43/00/1341734300.db2.gz VKGCHOVWOGVJRH-HZPDHXFCSA-N 2 2 339.867 2.185 10 0 EEAELP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1Cl ZINC001433970735 1341734302 /nfs/dbraw/zinc/73/43/02/1341734302.db2.gz VKGCHOVWOGVJRH-HZPDHXFCSA-N 2 2 339.867 2.185 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001567132065 1342698701 /nfs/dbraw/zinc/69/87/01/1342698701.db2.gz WUBNONQNCVPERP-HOTGVXAUSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001567235821 1342714390 /nfs/dbraw/zinc/71/43/90/1342714390.db2.gz SXYKXUDECUFAOD-AWEZNQCLSA-N 2 2 339.443 2.129 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001567404964 1342755929 /nfs/dbraw/zinc/75/59/29/1342755929.db2.gz IVDWEXHYWNDYSK-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001567404964 1342755933 /nfs/dbraw/zinc/75/59/33/1342755933.db2.gz IVDWEXHYWNDYSK-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCF)[C@H]2C1 ZINC001571509651 1343223620 /nfs/dbraw/zinc/22/36/20/1343223620.db2.gz UZAVKBHNNQKURU-XIRDDKMYSA-N 2 2 349.450 2.209 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001676965787 1357251023 /nfs/dbraw/zinc/25/10/23/1357251023.db2.gz PRTBWCQNYGAVJE-ZWKOTPCHSA-N 2 2 340.471 2.460 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001676973950 1357252758 /nfs/dbraw/zinc/25/27/58/1357252758.db2.gz CURAWVWSWSWLPO-ZIAGYGMSSA-N 2 2 346.397 2.490 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)C[C@@H]1C(F)(F)F ZINC001677052158 1357271688 /nfs/dbraw/zinc/27/16/88/1357271688.db2.gz MFCGJCRUUPNFLM-OLZOCXBDSA-N 2 2 346.397 2.287 10 0 EEAELP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]CCCCCF)C1 ZINC001677406936 1357328197 /nfs/dbraw/zinc/32/81/97/1357328197.db2.gz HBHPXQWYEMXMMW-FHERZECASA-N 2 2 336.455 2.164 10 0 EEAELP CCNc1cc(CNC(=O)N2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)cc[nH+]1 ZINC001646949523 1353066566 /nfs/dbraw/zinc/06/65/66/1353066566.db2.gz KZSKUXRXEHJDOD-BBWFWOEESA-N 2 2 345.491 2.385 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1CC[NH2+]CCCF ZINC001649435587 1353502509 /nfs/dbraw/zinc/50/25/09/1353502509.db2.gz UUERICRBBVDCEA-JKSUJKDBSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1ccccc1C[N@@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001660383092 1354453823 /nfs/dbraw/zinc/45/38/23/1354453823.db2.gz GJLNGGFHXIMNLC-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP Cc1ccccc1C[N@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001660383092 1354453824 /nfs/dbraw/zinc/45/38/24/1354453824.db2.gz GJLNGGFHXIMNLC-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001661502281 1354646386 /nfs/dbraw/zinc/64/63/86/1354646386.db2.gz WHWFHIXIARMNPL-IYARVYRRSA-N 2 2 340.471 2.222 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCCC1CCOCC1 ZINC001662282338 1354774092 /nfs/dbraw/zinc/77/40/92/1354774092.db2.gz FOVPBSHATYWFDW-HNNXBMFYSA-N 2 2 344.459 2.249 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C\Cl)CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001665934104 1355412729 /nfs/dbraw/zinc/41/27/29/1355412729.db2.gz XIAUKJYSBQMKQR-UMSKNGNOSA-N 2 2 336.867 2.217 10 0 EEAELP C[C@H]1CCCC[C@@]1(C[NH2+]CCC(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001666069888 1355440532 /nfs/dbraw/zinc/44/05/32/1355440532.db2.gz XCEDHTUJOOSARY-ZFWWWQNUSA-N 2 2 346.397 2.490 10 0 EEAELP Cc1nc(CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cs1 ZINC001667033930 1355636712 /nfs/dbraw/zinc/63/67/12/1355636712.db2.gz QYQPLGRFCOORHJ-GFCCVEGCSA-N 2 2 349.504 2.131 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CCC[C@H]3C[NH2+]CCCF)ccn12 ZINC001667729745 1355799516 /nfs/dbraw/zinc/79/95/16/1355799516.db2.gz SMDUGESYUJABBD-JKSUJKDBSA-N 2 2 332.423 2.490 10 0 EEAELP Cc1ncsc1CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001668097515 1355870172 /nfs/dbraw/zinc/87/01/72/1355870172.db2.gz WHUHFPIWIKXGRH-MRVWCRGKSA-N 2 2 347.488 2.005 10 0 EEAELP Cc1ncsc1CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001668097515 1355870175 /nfs/dbraw/zinc/87/01/75/1355870175.db2.gz WHUHFPIWIKXGRH-MRVWCRGKSA-N 2 2 347.488 2.005 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001668898930 1356039414 /nfs/dbraw/zinc/03/94/14/1356039414.db2.gz DVKHBEOSUOQWEU-SREVYHEPSA-N 2 2 342.443 2.120 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1cscn1)c1ccccc1 ZINC001669208764 1356126372 /nfs/dbraw/zinc/12/63/72/1356126372.db2.gz VSSRUWCCUXJPBT-JTGQJZMRSA-N 2 2 344.484 2.208 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001669330525 1356146670 /nfs/dbraw/zinc/14/66/70/1356146670.db2.gz BYOGCLSKNOQWAL-AEFFLSMTSA-N 2 2 340.471 2.091 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CCc1[nH+]ccn1C ZINC001669622556 1356185021 /nfs/dbraw/zinc/18/50/21/1356185021.db2.gz NSEDQPDKAWGQMJ-KBPBESRZSA-N 2 2 342.434 2.273 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001672880721 1356606619 /nfs/dbraw/zinc/60/66/19/1356606619.db2.gz XRDQMEDVZIQDBY-JKSUJKDBSA-N 2 2 341.459 2.012 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001672880721 1356606625 /nfs/dbraw/zinc/60/66/25/1356606625.db2.gz XRDQMEDVZIQDBY-JKSUJKDBSA-N 2 2 341.459 2.012 10 0 EEAELP CCC1([NH2+]CCCCCF)CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001673621380 1356718568 /nfs/dbraw/zinc/71/85/68/1356718568.db2.gz JITPGYSMGHXMGP-UHFFFAOYSA-N 2 2 338.471 2.463 10 0 EEAELP CCOCCC[N@@H+]1Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2C1 ZINC001673769641 1356745298 /nfs/dbraw/zinc/74/52/98/1356745298.db2.gz PWLUIJQLXSEWFO-UHFFFAOYSA-N 2 2 342.443 2.011 10 0 EEAELP CCOCCC[N@H+]1Cc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2C1 ZINC001673769641 1356745300 /nfs/dbraw/zinc/74/53/00/1356745300.db2.gz PWLUIJQLXSEWFO-UHFFFAOYSA-N 2 2 342.443 2.011 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001674134982 1356794849 /nfs/dbraw/zinc/79/48/49/1356794849.db2.gz OILWHZIXVWJSFR-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001674134982 1356794850 /nfs/dbraw/zinc/79/48/50/1356794850.db2.gz OILWHZIXVWJSFR-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP Cc1csc(C[NH+]2CC([C@H](C)NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001675359513 1356970304 /nfs/dbraw/zinc/97/03/04/1356970304.db2.gz GBPLWVBVBITNKS-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[N@H+](CCCCCF)CC1(C)C ZINC001675485479 1356993724 /nfs/dbraw/zinc/99/37/24/1356993724.db2.gz DZOSWBVAGIYEHC-INIZCTEOSA-N 2 2 338.471 2.319 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[N@@H+](CCCCCF)CC1(C)C ZINC001675485479 1356993727 /nfs/dbraw/zinc/99/37/27/1356993727.db2.gz DZOSWBVAGIYEHC-INIZCTEOSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001698947210 1405176752 /nfs/dbraw/zinc/17/67/52/1405176752.db2.gz PHDXMFFRJFGDFJ-NEPJUHHUSA-N 2 2 345.274 2.488 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)CCn1cc[nH+]c1 ZINC001698993173 1405208903 /nfs/dbraw/zinc/20/89/03/1405208903.db2.gz YRWYQPFTNBTADP-UHFFFAOYSA-N 2 2 339.443 2.345 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc2cc[nH]c2c1)C(=O)CCn1cc[nH+]c1 ZINC001698993173 1405208907 /nfs/dbraw/zinc/20/89/07/1405208907.db2.gz YRWYQPFTNBTADP-UHFFFAOYSA-N 2 2 339.443 2.345 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@](C)(O)c2ccccc2)CC1 ZINC000846038814 790033872 /nfs/dbraw/zinc/03/38/72/790033872.db2.gz QLHIBKFSUANPJW-UZLBHIALSA-N 2 2 348.487 2.290 10 0 EEAELP C[C@H]1[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000922650607 801582397 /nfs/dbraw/zinc/58/23/97/801582397.db2.gz QNWHVMCTWXUOPB-WFASDCNBSA-N 2 2 347.850 2.418 10 0 EEAELP C[C@H]1[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000922650607 801582401 /nfs/dbraw/zinc/58/24/01/801582401.db2.gz QNWHVMCTWXUOPB-WFASDCNBSA-N 2 2 347.850 2.418 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CC[N@H+](CCOCC2CCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001566105758 1125561837 /nfs/dbraw/zinc/56/18/37/1125561837.db2.gz QOIFCUGFHFYDHD-JZXOWHBKSA-N 2 2 348.491 2.230 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](CCOCC2CCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001566105758 1125561846 /nfs/dbraw/zinc/56/18/46/1125561846.db2.gz QOIFCUGFHFYDHD-JZXOWHBKSA-N 2 2 348.491 2.230 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001436894568 1088545687 /nfs/dbraw/zinc/54/56/87/1088545687.db2.gz NIHFYOMWRHKONM-QEJZJMRPSA-N 2 2 345.447 2.130 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001437033372 1088861285 /nfs/dbraw/zinc/86/12/85/1088861285.db2.gz OWGQBMDTSDJYLW-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC001437033372 1088861302 /nfs/dbraw/zinc/86/13/02/1088861302.db2.gz OWGQBMDTSDJYLW-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1cc(C[NH2+]C2CCC(NC(=O)CCc3c[nH]c[nH+]3)CC2)sn1 ZINC001437085791 1089030642 /nfs/dbraw/zinc/03/06/42/1089030642.db2.gz BPKAJNHRMGUNBR-UHFFFAOYSA-N 2 2 347.488 2.324 10 0 EEAELP Cc1cc(C[NH2+]C2CCC(NC(=O)CCc3c[nH+]c[nH]3)CC2)sn1 ZINC001437085791 1089030656 /nfs/dbraw/zinc/03/06/56/1089030656.db2.gz BPKAJNHRMGUNBR-UHFFFAOYSA-N 2 2 347.488 2.324 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001437172524 1089200564 /nfs/dbraw/zinc/20/05/64/1089200564.db2.gz SSBKLKVBDPTINV-DOTOQJQBSA-N 2 2 326.444 2.048 10 0 EEAELP C[N@H+](CCC[C@H]1CCOC1)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001437485838 1089845808 /nfs/dbraw/zinc/84/58/08/1089845808.db2.gz WYEQKQXVWUXSFA-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP C[N@@H+](CCC[C@H]1CCOC1)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001437485838 1089845833 /nfs/dbraw/zinc/84/58/33/1089845833.db2.gz WYEQKQXVWUXSFA-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)c(C)o1 ZINC001437682896 1090220334 /nfs/dbraw/zinc/22/03/34/1090220334.db2.gz SLRONLHDHRGIDR-QGZVFWFLSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC2CC[NH+](C)CC2)c(C)o1 ZINC001437682896 1090220343 /nfs/dbraw/zinc/22/03/43/1090220343.db2.gz SLRONLHDHRGIDR-QGZVFWFLSA-N 2 2 348.491 2.104 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001438242607 1090722642 /nfs/dbraw/zinc/72/26/42/1090722642.db2.gz AMSGSZROMJIYFM-INIZCTEOSA-N 2 2 332.473 2.147 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001438242607 1090722646 /nfs/dbraw/zinc/72/26/46/1090722646.db2.gz AMSGSZROMJIYFM-INIZCTEOSA-N 2 2 332.473 2.147 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(F)c1)n1cc[nH+]c1 ZINC001445618287 1091413514 /nfs/dbraw/zinc/41/35/14/1091413514.db2.gz PMDCVYPRCCNHBE-QWHCGFSZSA-N 2 2 336.386 2.407 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001445648477 1091438283 /nfs/dbraw/zinc/43/82/83/1091438283.db2.gz JYLMGXIKTOIGTJ-GJZGRUSLSA-N 2 2 344.459 2.217 10 0 EEAELP Cc1ncc(C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001445742814 1091570794 /nfs/dbraw/zinc/57/07/94/1091570794.db2.gz FYFYCRQCNDRHDT-CQSZACIVSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncc(C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001445742814 1091570802 /nfs/dbraw/zinc/57/08/02/1091570802.db2.gz FYFYCRQCNDRHDT-CQSZACIVSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)on1 ZINC001445755628 1091595412 /nfs/dbraw/zinc/59/54/12/1091595412.db2.gz DLHIIGJFHNKTTC-NVXWUHKLSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)on1 ZINC001445755628 1091595419 /nfs/dbraw/zinc/59/54/19/1091595419.db2.gz DLHIIGJFHNKTTC-NVXWUHKLSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCC[NH+]2CC(C)C)on1 ZINC001445755628 1091595425 /nfs/dbraw/zinc/59/54/25/1091595425.db2.gz DLHIIGJFHNKTTC-NVXWUHKLSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCC[NH+]2CC(C)C)on1 ZINC001445755628 1091595427 /nfs/dbraw/zinc/59/54/27/1091595427.db2.gz DLHIIGJFHNKTTC-NVXWUHKLSA-N 2 2 336.480 2.040 10 0 EEAELP CCc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001439291727 1091953929 /nfs/dbraw/zinc/95/39/29/1091953929.db2.gz YAMFGYWNYVMBLF-KSSFIOAISA-N 2 2 344.459 2.134 10 0 EEAELP C[C@H](C[N@H+](C)Cc1cncs1)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001439404898 1092165220 /nfs/dbraw/zinc/16/52/20/1092165220.db2.gz JBDXGMPIANVJHL-OAHLLOKOSA-N 2 2 346.500 2.212 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1cncs1)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001439404898 1092165224 /nfs/dbraw/zinc/16/52/24/1092165224.db2.gz JBDXGMPIANVJHL-OAHLLOKOSA-N 2 2 346.500 2.212 10 0 EEAELP C[C@H](C[NH+](C)Cc1cncs1)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001439404898 1092165229 /nfs/dbraw/zinc/16/52/29/1092165229.db2.gz JBDXGMPIANVJHL-OAHLLOKOSA-N 2 2 346.500 2.212 10 0 EEAELP C[C@H](C[NH+](C)Cc1cncs1)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001439404898 1092165236 /nfs/dbraw/zinc/16/52/36/1092165236.db2.gz JBDXGMPIANVJHL-OAHLLOKOSA-N 2 2 346.500 2.212 10 0 EEAELP C[C@H](CC(=O)N1CC[C@](C)(C[NH2+]Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001439888168 1092943333 /nfs/dbraw/zinc/94/33/33/1092943333.db2.gz RYHYHXHTYCRXDT-VQIMIIECSA-N 2 2 341.459 2.258 10 0 EEAELP C[C@@]1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC[N@H+](CCCF)C1 ZINC001439934082 1093022057 /nfs/dbraw/zinc/02/20/57/1093022057.db2.gz RHDYZNKAUHTNQN-QAPCUYQASA-N 2 2 336.455 2.023 10 0 EEAELP C[C@@]1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC[N@@H+](CCCF)C1 ZINC001439934082 1093022063 /nfs/dbraw/zinc/02/20/63/1093022063.db2.gz RHDYZNKAUHTNQN-QAPCUYQASA-N 2 2 336.455 2.023 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@H+](CCCF)CCC1(F)F ZINC001439974386 1093091532 /nfs/dbraw/zinc/09/15/32/1093091532.db2.gz QIKACNRRYKGLEK-STQMWFEESA-N 2 2 346.397 2.021 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@@H+](CCCF)CCC1(F)F ZINC001439974386 1093091542 /nfs/dbraw/zinc/09/15/42/1093091542.db2.gz QIKACNRRYKGLEK-STQMWFEESA-N 2 2 346.397 2.021 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)co1 ZINC001448390673 1093383787 /nfs/dbraw/zinc/38/37/87/1093383787.db2.gz DMGVFGMFWCXIHW-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1nc(C[N@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)co1 ZINC001448390673 1093383792 /nfs/dbraw/zinc/38/37/92/1093383792.db2.gz DMGVFGMFWCXIHW-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP C[C@@H](CC(=O)NC1(C[NH2+]CC2CC(C)C2)CCOCC1)n1cc[nH+]c1 ZINC001440571575 1093839396 /nfs/dbraw/zinc/83/93/96/1093839396.db2.gz AEKYQNFVDPGPAR-CGZBRXJRSA-N 2 2 348.491 2.135 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1Cc1cncs1 ZINC001449015086 1094016479 /nfs/dbraw/zinc/01/64/79/1094016479.db2.gz JYGZNPYTFKDWTR-UKRRQHHQSA-N 2 2 336.505 2.097 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1Cc1cncs1 ZINC001449015086 1094016485 /nfs/dbraw/zinc/01/64/85/1094016485.db2.gz JYGZNPYTFKDWTR-UKRRQHHQSA-N 2 2 336.505 2.097 10 0 EEAELP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1nccs1)CC2)C1CCC1 ZINC001449030227 1094039373 /nfs/dbraw/zinc/03/93/73/1094039373.db2.gz KNXYYSVXLGVCAB-YJBOKZPZSA-N 2 2 348.516 2.241 10 0 EEAELP C[N@@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1nccs1)CC2)C1CCC1 ZINC001449030227 1094039379 /nfs/dbraw/zinc/03/93/79/1094039379.db2.gz KNXYYSVXLGVCAB-YJBOKZPZSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nccs1)CC2)C1CCC1 ZINC001449030227 1094039386 /nfs/dbraw/zinc/03/93/86/1094039386.db2.gz KNXYYSVXLGVCAB-YJBOKZPZSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1nccs1)CC2)C1CCC1 ZINC001449030227 1094039392 /nfs/dbraw/zinc/03/93/92/1094039392.db2.gz KNXYYSVXLGVCAB-YJBOKZPZSA-N 2 2 348.516 2.241 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001440839847 1094093535 /nfs/dbraw/zinc/09/35/35/1094093535.db2.gz YEDYLABNJVQHQA-HUUCEWRRSA-N 2 2 332.423 2.404 10 0 EEAELP O=C(NC[C@H]([NH2+]Cc1ccccc1)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001441200369 1094561086 /nfs/dbraw/zinc/56/10/86/1094561086.db2.gz HKKSGKNSYOQWRD-MSOLQXFVSA-N 2 2 338.455 2.130 10 0 EEAELP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001441438021 1095051202 /nfs/dbraw/zinc/05/12/02/1095051202.db2.gz KGFLRKYMTRMCLS-FUHWJXTLSA-N 2 2 330.476 2.072 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001441594874 1095433680 /nfs/dbraw/zinc/43/36/80/1095433680.db2.gz CYVFMEMBOBHJJO-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)[C@@H]2C)s1 ZINC001441901131 1096059869 /nfs/dbraw/zinc/05/98/69/1096059869.db2.gz WHYZUUZBKTZLGI-BBRMVZONSA-N 2 2 347.488 2.207 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)[C@@H]2C)s1 ZINC001441901131 1096059878 /nfs/dbraw/zinc/05/98/78/1096059878.db2.gz WHYZUUZBKTZLGI-BBRMVZONSA-N 2 2 347.488 2.207 10 0 EEAELP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001441916878 1096096104 /nfs/dbraw/zinc/09/61/04/1096096104.db2.gz HKNGMYLJQPICTL-BLLLJJGKSA-N 2 2 330.432 2.038 10 0 EEAELP CC(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC001441939328 1096133291 /nfs/dbraw/zinc/13/32/91/1096133291.db2.gz ZYAIGJDHPBNANH-INMHGKMJSA-N 2 2 332.492 2.396 10 0 EEAELP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1cccnc1 ZINC001441943467 1096142176 /nfs/dbraw/zinc/14/21/76/1096142176.db2.gz YVJWSVWRRYYXDT-QGZVFWFLSA-N 2 2 341.459 2.085 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)oc1C ZINC001442006900 1096210348 /nfs/dbraw/zinc/21/03/48/1096210348.db2.gz YOAICACCLGEMLE-BBRMVZONSA-N 2 2 336.480 2.149 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)oc1C ZINC001442006900 1096210357 /nfs/dbraw/zinc/21/03/57/1096210357.db2.gz YOAICACCLGEMLE-BBRMVZONSA-N 2 2 336.480 2.149 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C1CC[NH+](Cc2ccccn2)CC1 ZINC001442204539 1096488166 /nfs/dbraw/zinc/48/81/66/1096488166.db2.gz NHRFHKBCWWLSOA-CQSZACIVSA-N 2 2 341.459 2.073 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC001442598825 1096969137 /nfs/dbraw/zinc/96/91/37/1096969137.db2.gz WUEYOJZZXVKRHK-UHFFFAOYSA-N 2 2 326.444 2.386 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC001442598825 1096969142 /nfs/dbraw/zinc/96/91/42/1096969142.db2.gz WUEYOJZZXVKRHK-UHFFFAOYSA-N 2 2 326.444 2.386 10 0 EEAELP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)Cc1nc(C)oc1C ZINC001442949812 1097364657 /nfs/dbraw/zinc/36/46/57/1097364657.db2.gz DJLCKCREKPOXRX-UHFFFAOYSA-N 2 2 348.491 2.248 10 0 EEAELP CCC[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)Cc1nc(C)oc1C ZINC001442949812 1097364662 /nfs/dbraw/zinc/36/46/62/1097364662.db2.gz DJLCKCREKPOXRX-UHFFFAOYSA-N 2 2 348.491 2.248 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001443273422 1097757443 /nfs/dbraw/zinc/75/74/43/1097757443.db2.gz XYZKQKZOVUYCHF-LBPRGKRZSA-N 2 2 331.247 2.030 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001443273422 1097757446 /nfs/dbraw/zinc/75/74/46/1097757446.db2.gz XYZKQKZOVUYCHF-LBPRGKRZSA-N 2 2 331.247 2.030 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001443613184 1098109689 /nfs/dbraw/zinc/10/96/89/1098109689.db2.gz DUVNOICDSGLFIN-KUHUBIRLSA-N 2 2 338.455 2.324 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001443613184 1098109691 /nfs/dbraw/zinc/10/96/91/1098109691.db2.gz DUVNOICDSGLFIN-KUHUBIRLSA-N 2 2 338.455 2.324 10 0 EEAELP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ncc(C)s1 ZINC001444010670 1098527722 /nfs/dbraw/zinc/52/77/22/1098527722.db2.gz QEIXVAQRCHYBHV-GXTWGEPZSA-N 2 2 335.477 2.284 10 0 EEAELP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001444082007 1098610112 /nfs/dbraw/zinc/61/01/12/1098610112.db2.gz TUYDAMGPCIUYTE-LSDHHAIUSA-N 2 2 336.455 2.212 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)CCn2cc[nH+]c2)cc1F ZINC001479788286 1098988987 /nfs/dbraw/zinc/98/89/87/1098988987.db2.gz XAVDZVUSVDZPHZ-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)CCn2cc[nH+]c2)cc1F ZINC001479788286 1098988990 /nfs/dbraw/zinc/98/89/90/1098988990.db2.gz XAVDZVUSVDZPHZ-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1CC(C)C1 ZINC001479846734 1099140652 /nfs/dbraw/zinc/14/06/52/1099140652.db2.gz AFBDOSPLFHQMDC-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1CC(C)C1 ZINC001479846734 1099140655 /nfs/dbraw/zinc/14/06/55/1099140655.db2.gz AFBDOSPLFHQMDC-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2coc(C3CC3)n2)C1 ZINC001480271659 1099976359 /nfs/dbraw/zinc/97/63/59/1099976359.db2.gz KNTMTJFIUGAYBQ-OAHLLOKOSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](Cc2coc(C3CC3)n2)C1 ZINC001480271659 1099976367 /nfs/dbraw/zinc/97/63/67/1099976367.db2.gz KNTMTJFIUGAYBQ-OAHLLOKOSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001480271659 1099976378 /nfs/dbraw/zinc/97/63/78/1099976378.db2.gz KNTMTJFIUGAYBQ-OAHLLOKOSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001480271659 1099976382 /nfs/dbraw/zinc/97/63/82/1099976382.db2.gz KNTMTJFIUGAYBQ-OAHLLOKOSA-N 2 2 348.491 2.220 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001480356837 1100128453 /nfs/dbraw/zinc/12/84/53/1100128453.db2.gz JPBWVTFFDBRLMR-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001480363801 1100136807 /nfs/dbraw/zinc/13/68/07/1100136807.db2.gz ZEPAEAMYKWQBKS-LJQANCHMSA-N 2 2 340.471 2.474 10 0 EEAELP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445002952 1100139946 /nfs/dbraw/zinc/13/99/46/1100139946.db2.gz DAVRSPAWLPIZNK-QGZVFWFLSA-N 2 2 344.503 2.416 10 0 EEAELP CN(CC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445002952 1100139953 /nfs/dbraw/zinc/13/99/53/1100139953.db2.gz DAVRSPAWLPIZNK-QGZVFWFLSA-N 2 2 344.503 2.416 10 0 EEAELP Cc1ncoc1C[N@@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001445050094 1100236121 /nfs/dbraw/zinc/23/61/21/1100236121.db2.gz VZMPMMPQQPCQFB-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1ncoc1C[N@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001445050094 1100236124 /nfs/dbraw/zinc/23/61/24/1100236124.db2.gz VZMPMMPQQPCQFB-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001480488932 1100299024 /nfs/dbraw/zinc/29/90/24/1100299024.db2.gz BSTANTHYEKCGPZ-GJZGRUSLSA-N 2 2 344.434 2.188 10 0 EEAELP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001480548561 1100383505 /nfs/dbraw/zinc/38/35/05/1100383505.db2.gz LHLJFXYRCSFLJT-ZBFHGGJFSA-N 2 2 336.480 2.094 10 0 EEAELP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)o1 ZINC001480548561 1100383513 /nfs/dbraw/zinc/38/35/13/1100383513.db2.gz LHLJFXYRCSFLJT-ZBFHGGJFSA-N 2 2 336.480 2.094 10 0 EEAELP C[C@@H](C[NH2+]CCOc1ccccc1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001496206350 1100747421 /nfs/dbraw/zinc/74/74/21/1100747421.db2.gz IKEWURQPKADKNY-HNNXBMFYSA-N 2 2 344.459 2.203 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CCCCC2)o1 ZINC001496330642 1100925707 /nfs/dbraw/zinc/92/57/07/1100925707.db2.gz AFLVSRCIDNXXHE-KRWDZBQOSA-N 2 2 345.447 2.034 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001496389914 1100982418 /nfs/dbraw/zinc/98/24/18/1100982418.db2.gz MAKISCXNSRPKMV-MOPGFXCFSA-N 2 2 349.519 2.178 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2=CCCCC2)C1 ZINC001496389914 1100982422 /nfs/dbraw/zinc/98/24/22/1100982422.db2.gz MAKISCXNSRPKMV-MOPGFXCFSA-N 2 2 349.519 2.178 10 0 EEAELP C[C@](C[NH2+]Cc1ccc(Cl)nc1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001495302753 1101004030 /nfs/dbraw/zinc/00/40/30/1101004030.db2.gz KVNMVMRZAXIWSN-QGZVFWFLSA-N 2 2 347.850 2.006 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001496614659 1101220338 /nfs/dbraw/zinc/22/03/38/1101220338.db2.gz GVRIMLFCKCJDSY-CXAGYDPISA-N 2 2 347.463 2.370 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001495668667 1101409529 /nfs/dbraw/zinc/40/95/29/1101409529.db2.gz OMZYEOUSPWQFEJ-YOEHRIQHSA-N 2 2 333.480 2.098 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001495668667 1101409533 /nfs/dbraw/zinc/40/95/33/1101409533.db2.gz OMZYEOUSPWQFEJ-YOEHRIQHSA-N 2 2 333.480 2.098 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001495747313 1101523570 /nfs/dbraw/zinc/52/35/70/1101523570.db2.gz JICRRZPTTAILRR-MEDUHNTESA-N 2 2 348.397 2.260 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001446968283 1101677761 /nfs/dbraw/zinc/67/77/61/1101677761.db2.gz SMZVHYAXJPIROF-HOTGVXAUSA-N 2 2 332.492 2.102 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@H+](CCC2CCCCCC2)CCO1 ZINC001495887292 1101722817 /nfs/dbraw/zinc/72/28/17/1101722817.db2.gz RMTCIZVFHKFJKP-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1C[N@@H+](CCC2CCCCCC2)CCO1 ZINC001495887292 1101722820 /nfs/dbraw/zinc/72/28/20/1101722820.db2.gz RMTCIZVFHKFJKP-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCC1 ZINC001495944674 1101803559 /nfs/dbraw/zinc/80/35/59/1101803559.db2.gz WSAZZQGRHXLFBR-RRFJBIMHSA-N 2 2 336.455 2.290 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001496172578 1102169434 /nfs/dbraw/zinc/16/94/34/1102169434.db2.gz PSOVTYNELMTOJK-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001497318845 1102312591 /nfs/dbraw/zinc/31/25/91/1102312591.db2.gz WWLSEVRXDAVKDN-GFCCVEGCSA-N 2 2 347.463 2.365 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497419729 1102461713 /nfs/dbraw/zinc/46/17/13/1102461713.db2.gz YJSSWFMPKIIRGG-QGZVFWFLSA-N 2 2 326.444 2.084 10 0 EEAELP CC[N@H+](CCF)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001447734305 1103195420 /nfs/dbraw/zinc/19/54/20/1103195420.db2.gz PNZIHVIMALHTGR-UHFFFAOYSA-N 2 2 338.471 2.457 10 0 EEAELP CC[N@@H+](CCF)CC1CCN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CC1 ZINC001447734305 1103195422 /nfs/dbraw/zinc/19/54/22/1103195422.db2.gz PNZIHVIMALHTGR-UHFFFAOYSA-N 2 2 338.471 2.457 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001493975997 1103240895 /nfs/dbraw/zinc/24/08/95/1103240895.db2.gz AIDQFJLGTSKLLW-QGZVFWFLSA-N 2 2 348.491 2.200 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001493975997 1103240899 /nfs/dbraw/zinc/24/08/99/1103240899.db2.gz AIDQFJLGTSKLLW-QGZVFWFLSA-N 2 2 348.491 2.200 10 0 EEAELP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447766037 1103263274 /nfs/dbraw/zinc/26/32/74/1103263274.db2.gz CDFHSKSSMIFQHW-IAGOWNOFSA-N 2 2 339.524 2.066 10 0 EEAELP C[N@@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447766037 1103263285 /nfs/dbraw/zinc/26/32/85/1103263285.db2.gz CDFHSKSSMIFQHW-IAGOWNOFSA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001447766037 1103263288 /nfs/dbraw/zinc/26/32/88/1103263288.db2.gz CDFHSKSSMIFQHW-IAGOWNOFSA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001447766037 1103263300 /nfs/dbraw/zinc/26/33/00/1103263300.db2.gz CDFHSKSSMIFQHW-IAGOWNOFSA-N 2 2 339.524 2.066 10 0 EEAELP CCCc1nc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2c[nH+]cc2C)cs1 ZINC001447886702 1103519923 /nfs/dbraw/zinc/51/99/23/1103519923.db2.gz ZYBVAYHYBOFHSK-KGLIPLIRSA-N 2 2 349.504 2.284 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001448041269 1103872080 /nfs/dbraw/zinc/87/20/80/1103872080.db2.gz DICOLCAMCZLFSO-GDBMZVCRSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001448041269 1103872092 /nfs/dbraw/zinc/87/20/92/1103872092.db2.gz DICOLCAMCZLFSO-GDBMZVCRSA-N 2 2 332.492 2.318 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001494387883 1103974230 /nfs/dbraw/zinc/97/42/30/1103974230.db2.gz UDRRIUIENOPLMV-GFCCVEGCSA-N 2 2 340.418 2.242 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@H](C)CNC(=O)CCCn2cc[nH+]c2)s1 ZINC001448141257 1104094079 /nfs/dbraw/zinc/09/40/79/1104094079.db2.gz OVHGWTHMWGXRQI-CYBMUJFWSA-N 2 2 335.477 2.065 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@H](C)CNC(=O)CCCn2cc[nH+]c2)s1 ZINC001448141257 1104094091 /nfs/dbraw/zinc/09/40/91/1104094091.db2.gz OVHGWTHMWGXRQI-CYBMUJFWSA-N 2 2 335.477 2.065 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001480655119 1106828018 /nfs/dbraw/zinc/82/80/18/1106828018.db2.gz YEJVMJXBWNQGJK-DLBZAZTESA-N 2 2 332.492 2.320 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001498132785 1106965200 /nfs/dbraw/zinc/96/52/00/1106965200.db2.gz JRJCRLQKEXRCFS-CVEARBPZSA-N 2 2 328.460 2.500 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001498132785 1106965211 /nfs/dbraw/zinc/96/52/11/1106965211.db2.gz JRJCRLQKEXRCFS-CVEARBPZSA-N 2 2 328.460 2.500 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498322541 1107288749 /nfs/dbraw/zinc/28/87/49/1107288749.db2.gz GTCUVYLEMUJTSO-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498322541 1107288755 /nfs/dbraw/zinc/28/87/55/1107288755.db2.gz GTCUVYLEMUJTSO-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493240827 1107753575 /nfs/dbraw/zinc/75/35/75/1107753575.db2.gz WCMPRYNCAQZZTL-ZPPHWLAZSA-N 2 2 330.476 2.318 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493240827 1107753588 /nfs/dbraw/zinc/75/35/88/1107753588.db2.gz WCMPRYNCAQZZTL-ZPPHWLAZSA-N 2 2 330.476 2.318 10 0 EEAELP CC(C)c1cccc(C[N@@H+]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001493268526 1107818662 /nfs/dbraw/zinc/81/86/62/1107818662.db2.gz FLQFOFMJHVVOMC-MRXNPFEDSA-N 2 2 341.459 2.040 10 0 EEAELP CC(C)c1cccc(C[N@H+]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001493268526 1107818673 /nfs/dbraw/zinc/81/86/73/1107818673.db2.gz FLQFOFMJHVVOMC-MRXNPFEDSA-N 2 2 341.459 2.040 10 0 EEAELP Cc1ncoc1C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001493430835 1108144794 /nfs/dbraw/zinc/14/47/94/1108144794.db2.gz VLCQCVVLYXXHQT-IAGOWNOFSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001493430835 1108144798 /nfs/dbraw/zinc/14/47/98/1108144798.db2.gz VLCQCVVLYXXHQT-IAGOWNOFSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001493430835 1108144805 /nfs/dbraw/zinc/14/48/05/1108144805.db2.gz VLCQCVVLYXXHQT-IAGOWNOFSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001493430835 1108144810 /nfs/dbraw/zinc/14/48/10/1108144810.db2.gz VLCQCVVLYXXHQT-IAGOWNOFSA-N 2 2 346.475 2.081 10 0 EEAELP CCOCC[NH2+][C@@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001493829418 1108710787 /nfs/dbraw/zinc/71/07/87/1108710787.db2.gz HVWZKANVTWHLMK-AWEZNQCLSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500233596 1112692387 /nfs/dbraw/zinc/69/23/87/1112692387.db2.gz HNPWIJDQNSLLDG-VQIMIIECSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500233596 1112692390 /nfs/dbraw/zinc/69/23/90/1112692390.db2.gz HNPWIJDQNSLLDG-VQIMIIECSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@]1(C[NH2+]CCc2cccs2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001500406339 1112807759 /nfs/dbraw/zinc/80/77/59/1112807759.db2.gz KETISJOXEQIJRZ-QGZVFWFLSA-N 2 2 332.473 2.016 10 0 EEAELP CCc1cccc(C[NH2+]CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001501655558 1113417584 /nfs/dbraw/zinc/41/75/84/1113417584.db2.gz VDHCSNMDHCUETD-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001501891324 1113512796 /nfs/dbraw/zinc/51/27/96/1113512796.db2.gz XISXIIFPNDWVIX-NVXWUHKLSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001501891324 1113512799 /nfs/dbraw/zinc/51/27/99/1113512799.db2.gz XISXIIFPNDWVIX-NVXWUHKLSA-N 2 2 348.491 2.128 10 0 EEAELP CN(CC(C)(C)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001505836250 1114224086 /nfs/dbraw/zinc/22/40/86/1114224086.db2.gz BJFFVDSPDTYDCN-OWCLPIDISA-N 2 2 332.492 2.463 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)Cc1ccc(F)cc1 ZINC001505948681 1114295258 /nfs/dbraw/zinc/29/52/58/1114295258.db2.gz SSWWLLBWDKVMMN-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001505948681 1114295259 /nfs/dbraw/zinc/29/52/59/1114295259.db2.gz SSWWLLBWDKVMMN-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001506747936 1114860548 /nfs/dbraw/zinc/86/05/48/1114860548.db2.gz PVULWRKRPQGATK-NVXWUHKLSA-N 2 2 348.491 2.087 10 0 EEAELP C[C@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001506747936 1114860550 /nfs/dbraw/zinc/86/05/50/1114860550.db2.gz PVULWRKRPQGATK-NVXWUHKLSA-N 2 2 348.491 2.087 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001507027770 1115065516 /nfs/dbraw/zinc/06/55/16/1115065516.db2.gz LWLYIUDUXPPGIH-ZACQAIPSSA-N 2 2 330.476 2.150 10 0 EEAELP COCCC[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001507430786 1115265058 /nfs/dbraw/zinc/26/50/58/1115265058.db2.gz FTWUKQLZFWTFKZ-MRXNPFEDSA-N 2 2 344.459 2.119 10 0 EEAELP CNc1cc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC001528001499 1120928650 /nfs/dbraw/zinc/92/86/50/1120928650.db2.gz DNTLNQQCAIRXBD-HNNXBMFYSA-N 2 2 333.480 2.435 10 0 EEAELP CNc1cc(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC001528001499 1120928654 /nfs/dbraw/zinc/92/86/54/1120928654.db2.gz DNTLNQQCAIRXBD-HNNXBMFYSA-N 2 2 333.480 2.435 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]C[C@H]2CCCCO2)CC1 ZINC001568098322 1124301294 /nfs/dbraw/zinc/30/12/94/1124301294.db2.gz DTPVMCUNISMPKK-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]CCCc1ccsc1 ZINC001568545196 1124604660 /nfs/dbraw/zinc/60/46/60/1124604660.db2.gz MQUUTYLWFCMUHZ-DLBZAZTESA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001568685914 1124698121 /nfs/dbraw/zinc/69/81/21/1124698121.db2.gz CPKNYRXKZURYBI-RYUDHWBXSA-N 2 2 335.477 2.038 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001568951632 1124985618 /nfs/dbraw/zinc/98/56/18/1124985618.db2.gz QJIYYDYGSLNSTB-DCKQQPRJSA-N 2 2 342.418 2.051 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001569176188 1125146530 /nfs/dbraw/zinc/14/65/30/1125146530.db2.gz ZBBMTFLMGMNMDT-XTPGFYLFSA-N 2 2 338.883 2.370 10 0 EEAELP [NH3+]C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000050248927 214051670 /nfs/dbraw/zinc/05/16/70/214051670.db2.gz HDXNZBAEDFZVKE-SNVBAGLBSA-N 2 2 337.221 2.280 10 0 EEAELP [NH3+]C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)cc3)o2)C1 ZINC000050248927 214051671 /nfs/dbraw/zinc/05/16/71/214051671.db2.gz HDXNZBAEDFZVKE-SNVBAGLBSA-N 2 2 337.221 2.280 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074653 240353182 /nfs/dbraw/zinc/35/31/82/240353182.db2.gz MLWLYZUXKZBVQK-WMZOPIPTSA-N 3 2 340.471 2.436 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074653 240353186 /nfs/dbraw/zinc/35/31/86/240353186.db2.gz MLWLYZUXKZBVQK-WMZOPIPTSA-N 3 2 340.471 2.436 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074652 240353249 /nfs/dbraw/zinc/35/32/49/240353249.db2.gz MLWLYZUXKZBVQK-SJLPKXTDSA-N 3 2 340.471 2.436 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074652 240353256 /nfs/dbraw/zinc/35/32/56/240353256.db2.gz MLWLYZUXKZBVQK-SJLPKXTDSA-N 3 2 340.471 2.436 10 0 EEAELP C[NH+](C)[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1cccs1 ZINC000072275995 216102146 /nfs/dbraw/zinc/10/21/46/216102146.db2.gz XQUISRYLUQKGJQ-ZIAGYGMSSA-N 2 2 347.488 2.214 10 0 EEAELP [NH3+]CC(F)(F)CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000190286691 238360064 /nfs/dbraw/zinc/36/00/64/238360064.db2.gz NJAGJEVRACMJGN-UHFFFAOYSA-N 2 2 347.409 2.399 10 0 EEAELP CC[C@H](C)NC(=O)CC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422700248 240180832 /nfs/dbraw/zinc/18/08/32/240180832.db2.gz GDBDLPILEIXIGX-UCLAIMLFSA-N 2 2 333.476 2.383 10 0 EEAELP Brc1ccsc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422944983 240300741 /nfs/dbraw/zinc/30/07/41/240300741.db2.gz MNUZYUWJIPSIMT-AAEUAGOBSA-N 2 2 331.279 2.367 10 0 EEAELP FC(F)(F)c1ccccc1OCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422954857 240305303 /nfs/dbraw/zinc/30/53/03/240305303.db2.gz IGLBLKPQHSJBJS-CVEARBPZSA-N 2 2 344.377 2.441 10 0 EEAELP COc1cc(Br)ccc1C[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423062411 240346504 /nfs/dbraw/zinc/34/65/04/240346504.db2.gz MYARUEYHEKWFHO-RISCZKNCSA-N 2 2 343.265 2.314 10 0 EEAELP COc1ccc([C@H]([NH2+]CCc2cnc(C)cn2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423162684 240389039 /nfs/dbraw/zinc/38/90/39/240389039.db2.gz LOHYZZCLGYMJLM-OALUTQOASA-N 2 2 326.444 2.419 10 0 EEAELP NC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000230099211 242231293 /nfs/dbraw/zinc/23/12/93/242231293.db2.gz XTFKOWXRGJESCT-KBAYOESNSA-N 2 2 339.439 2.379 10 0 EEAELP NC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000230099211 242231298 /nfs/dbraw/zinc/23/12/98/242231298.db2.gz XTFKOWXRGJESCT-KBAYOESNSA-N 2 2 339.439 2.379 10 0 EEAELP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246908247 243334640 /nfs/dbraw/zinc/33/46/40/243334640.db2.gz GFCXLVPRIXIQCB-GRDNDAEWSA-N 2 2 339.505 2.437 10 0 EEAELP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246908247 243334649 /nfs/dbraw/zinc/33/46/49/243334649.db2.gz GFCXLVPRIXIQCB-GRDNDAEWSA-N 2 2 339.505 2.437 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CC3CCC(F)(F)CC3)CC2)cc[nH+]1 ZINC000459333777 245083924 /nfs/dbraw/zinc/08/39/24/245083924.db2.gz CEWVWNKNLKHDOQ-UHFFFAOYSA-N 2 2 339.434 2.490 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000081095764 217362160 /nfs/dbraw/zinc/36/21/60/217362160.db2.gz ZXCFJXDSCIDYHP-RDTXWAMCSA-N 2 2 346.475 2.246 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000081095764 217362162 /nfs/dbraw/zinc/36/21/62/217362162.db2.gz ZXCFJXDSCIDYHP-RDTXWAMCSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000081095764 217362164 /nfs/dbraw/zinc/36/21/64/217362164.db2.gz ZXCFJXDSCIDYHP-RDTXWAMCSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000081095764 217362167 /nfs/dbraw/zinc/36/21/67/217362167.db2.gz ZXCFJXDSCIDYHP-RDTXWAMCSA-N 2 2 346.475 2.246 10 0 EEAELP Cc1cc(N(C)C2CC[NH+](CCn3cccn3)CC2)nc(C2CC2)[nH+]1 ZINC000116261078 220946225 /nfs/dbraw/zinc/94/62/25/220946225.db2.gz IIGFWFDYICFGML-UHFFFAOYSA-N 2 2 340.475 2.460 10 0 EEAELP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263091772 152373357 /nfs/dbraw/zinc/37/33/57/152373357.db2.gz YMNSPTPGWLUEGS-MRXNPFEDSA-N 2 2 337.414 2.012 10 0 EEAELP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000130745715 292378327 /nfs/dbraw/zinc/37/83/27/292378327.db2.gz BTNAJTZMLPDZOK-UHFFFAOYSA-N 2 2 333.461 2.097 10 0 EEAELP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1nc2c(s1)CCC2 ZINC000130745715 292378329 /nfs/dbraw/zinc/37/83/29/292378329.db2.gz BTNAJTZMLPDZOK-UHFFFAOYSA-N 2 2 333.461 2.097 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184237159 160004566 /nfs/dbraw/zinc/00/45/66/160004566.db2.gz XCOMOSKTJUQJHS-QGZVFWFLSA-N 2 2 330.476 2.383 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184237159 160004568 /nfs/dbraw/zinc/00/45/68/160004568.db2.gz XCOMOSKTJUQJHS-QGZVFWFLSA-N 2 2 330.476 2.383 10 0 EEAELP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(Cl)(Cl)Cl)C2)CC1 ZINC000184537701 160010309 /nfs/dbraw/zinc/01/03/09/160010309.db2.gz CKRMHNOXRWICBN-GFCCVEGCSA-N 2 2 328.715 2.459 10 0 EEAELP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(Cl)(Cl)Cl)C2)CC1 ZINC000184537701 160010311 /nfs/dbraw/zinc/01/03/11/160010311.db2.gz CKRMHNOXRWICBN-GFCCVEGCSA-N 2 2 328.715 2.459 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccccc3Br)C[C@@H]2C1 ZINC000193613899 160184057 /nfs/dbraw/zinc/18/40/57/160184057.db2.gz CBBAYRJDTHUXDF-BETUJISGSA-N 2 2 325.250 2.321 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccccc3Br)C[C@@H]2C1 ZINC000193613899 160184058 /nfs/dbraw/zinc/18/40/58/160184058.db2.gz CBBAYRJDTHUXDF-BETUJISGSA-N 2 2 325.250 2.321 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccccc3Br)C[C@@H]2C1 ZINC000193613899 160184059 /nfs/dbraw/zinc/18/40/59/160184059.db2.gz CBBAYRJDTHUXDF-BETUJISGSA-N 2 2 325.250 2.321 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccccc3Br)C[C@@H]2C1 ZINC000193613899 160184060 /nfs/dbraw/zinc/18/40/60/160184060.db2.gz CBBAYRJDTHUXDF-BETUJISGSA-N 2 2 325.250 2.321 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245445361 160235704 /nfs/dbraw/zinc/23/57/04/160235704.db2.gz YVAUTOULOCBNCM-YJBOKZPZSA-N 2 2 335.467 2.412 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245445361 160235705 /nfs/dbraw/zinc/23/57/05/160235705.db2.gz YVAUTOULOCBNCM-YJBOKZPZSA-N 2 2 335.467 2.412 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245445361 160235706 /nfs/dbraw/zinc/23/57/06/160235706.db2.gz YVAUTOULOCBNCM-YJBOKZPZSA-N 2 2 335.467 2.412 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@@H](C)C1 ZINC000245445361 160235707 /nfs/dbraw/zinc/23/57/07/160235707.db2.gz YVAUTOULOCBNCM-YJBOKZPZSA-N 2 2 335.467 2.412 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000246172439 160265773 /nfs/dbraw/zinc/26/57/73/160265773.db2.gz LHVMGBTXNPZRQS-SJORKVTESA-N 2 2 341.459 2.411 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000246172439 160265774 /nfs/dbraw/zinc/26/57/74/160265774.db2.gz LHVMGBTXNPZRQS-SJORKVTESA-N 2 2 341.459 2.411 10 0 EEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246229421 160268677 /nfs/dbraw/zinc/26/86/77/160268677.db2.gz SQYQRBYXLFESCR-ROUUACIJSA-N 2 2 345.512 2.083 10 0 EEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246229421 160268679 /nfs/dbraw/zinc/26/86/79/160268679.db2.gz SQYQRBYXLFESCR-ROUUACIJSA-N 2 2 345.512 2.083 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000246561884 160284968 /nfs/dbraw/zinc/28/49/68/160284968.db2.gz DNTTXOOCRUISNZ-INMHGKMJSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000246561884 160284970 /nfs/dbraw/zinc/28/49/70/160284970.db2.gz DNTTXOOCRUISNZ-INMHGKMJSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N[C@H]2CCOc3ccccc32)CC[NH+]1C ZINC000246561884 160284971 /nfs/dbraw/zinc/28/49/71/160284971.db2.gz DNTTXOOCRUISNZ-INMHGKMJSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N[C@H]2CCOc3ccccc32)CC[NH+]1C ZINC000246561884 160284973 /nfs/dbraw/zinc/28/49/73/160284973.db2.gz DNTTXOOCRUISNZ-INMHGKMJSA-N 2 2 331.460 2.041 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247277640 160318002 /nfs/dbraw/zinc/31/80/02/160318002.db2.gz DRZFXBHRZIIJHI-MJGOQNOKSA-N 2 2 340.471 2.433 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247277640 160318004 /nfs/dbraw/zinc/31/80/04/160318004.db2.gz DRZFXBHRZIIJHI-MJGOQNOKSA-N 2 2 340.471 2.433 10 0 EEAELP CCCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247993121 160335849 /nfs/dbraw/zinc/33/58/49/160335849.db2.gz JQHKCHZFGJEKSU-RBUKOAKNSA-N 2 2 329.488 2.499 10 0 EEAELP CCCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247993121 160335850 /nfs/dbraw/zinc/33/58/50/160335850.db2.gz JQHKCHZFGJEKSU-RBUKOAKNSA-N 2 2 329.488 2.499 10 0 EEAELP CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247993121 160335852 /nfs/dbraw/zinc/33/58/52/160335852.db2.gz JQHKCHZFGJEKSU-RBUKOAKNSA-N 2 2 329.488 2.499 10 0 EEAELP CCCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247993121 160335854 /nfs/dbraw/zinc/33/58/54/160335854.db2.gz JQHKCHZFGJEKSU-RBUKOAKNSA-N 2 2 329.488 2.499 10 0 EEAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC[C@H]1CCCO1 ZINC000248407456 160344893 /nfs/dbraw/zinc/34/48/93/160344893.db2.gz BQKUMQNJQVMEGK-RLFYNMQTSA-N 2 2 342.443 2.207 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000248421432 160345489 /nfs/dbraw/zinc/34/54/89/160345489.db2.gz MHGZNKIKAJQBNG-BZUAXINKSA-N 2 2 342.443 2.159 10 0 EEAELP O=S1(=O)CCC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868588 161019923 /nfs/dbraw/zinc/01/99/23/161019923.db2.gz HAEHKEQCTWDRNM-QZTJIDSGSA-N 2 2 342.549 2.399 10 0 EEAELP O=S1(=O)CCC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868588 161019924 /nfs/dbraw/zinc/01/99/24/161019924.db2.gz HAEHKEQCTWDRNM-QZTJIDSGSA-N 2 2 342.549 2.399 10 0 EEAELP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342607928 161077565 /nfs/dbraw/zinc/07/75/65/161077565.db2.gz RWNKUGWUCQLFQN-RDJZCZTQSA-N 2 2 348.491 2.301 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(CC(F)(F)F)CC1 ZINC000346117115 161358799 /nfs/dbraw/zinc/35/87/99/161358799.db2.gz ATQMTXQBACIGCY-UHFFFAOYSA-N 2 2 339.365 2.256 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC000346697729 161393073 /nfs/dbraw/zinc/39/30/73/161393073.db2.gz GJUNEIXSFPZUPV-YRGVVPAESA-N 2 2 327.472 2.248 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000346697729 161393074 /nfs/dbraw/zinc/39/30/74/161393074.db2.gz GJUNEIXSFPZUPV-YRGVVPAESA-N 2 2 327.472 2.248 10 0 EEAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000370011230 166377237 /nfs/dbraw/zinc/37/72/37/166377237.db2.gz OXPRLXVFSZOWDC-KRWDZBQOSA-N 2 2 341.459 2.189 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000370011230 166377239 /nfs/dbraw/zinc/37/72/39/166377239.db2.gz OXPRLXVFSZOWDC-KRWDZBQOSA-N 2 2 341.459 2.189 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)CC2 ZINC000373308106 166865426 /nfs/dbraw/zinc/86/54/26/166865426.db2.gz ZPDKNYYQRNYCIX-KBXCAEBGSA-N 2 2 333.480 2.227 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[N@@H+]1C ZINC000279286431 269267516 /nfs/dbraw/zinc/26/75/16/269267516.db2.gz YFMHPCMFFQJVTQ-RDJZCZTQSA-N 2 2 330.476 2.418 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[N@H+]1C ZINC000279286431 269267517 /nfs/dbraw/zinc/26/75/17/269267517.db2.gz YFMHPCMFFQJVTQ-RDJZCZTQSA-N 2 2 330.476 2.418 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)C1CC1 ZINC000289350889 275110902 /nfs/dbraw/zinc/11/09/02/275110902.db2.gz HFLFPNQTJNRSSV-LJQANCHMSA-N 2 2 347.478 2.108 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1)C1CC1 ZINC000289350889 275110903 /nfs/dbraw/zinc/11/09/03/275110903.db2.gz HFLFPNQTJNRSSV-LJQANCHMSA-N 2 2 347.478 2.108 10 0 EEAELP CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1cccnc1 ZINC000290628898 275224162 /nfs/dbraw/zinc/22/41/62/275224162.db2.gz XUNXHRLABGKATL-MRXNPFEDSA-N 2 2 340.475 2.207 10 0 EEAELP CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1cccnc1 ZINC000290628898 275224164 /nfs/dbraw/zinc/22/41/64/275224164.db2.gz XUNXHRLABGKATL-MRXNPFEDSA-N 2 2 340.475 2.207 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000171619689 276189838 /nfs/dbraw/zinc/18/98/38/276189838.db2.gz MVJYRQLSVJGLRO-OAHLLOKOSA-N 2 2 340.471 2.079 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000171619689 276189840 /nfs/dbraw/zinc/18/98/40/276189840.db2.gz MVJYRQLSVJGLRO-OAHLLOKOSA-N 2 2 340.471 2.079 10 0 EEAELP COc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1Cl ZINC000293468607 293216800 /nfs/dbraw/zinc/21/68/00/293216800.db2.gz TZKHTYAGKSXZJC-UHFFFAOYSA-N 2 2 339.867 2.104 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328697876 311613387 /nfs/dbraw/zinc/61/33/87/311613387.db2.gz UUSOGUDTFMKETN-RHSMWYFYSA-N 2 2 344.846 2.272 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000328703081 311613750 /nfs/dbraw/zinc/61/37/50/311613750.db2.gz XQMCTZYNNLODOK-ZBFHGGJFSA-N 2 2 344.846 2.272 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000422602302 314293642 /nfs/dbraw/zinc/29/36/42/314293642.db2.gz FVVNVVSKPNEVCZ-CABCVRRESA-N 2 2 340.418 2.137 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000422602302 314293643 /nfs/dbraw/zinc/29/36/43/314293643.db2.gz FVVNVVSKPNEVCZ-CABCVRRESA-N 2 2 340.418 2.137 10 0 EEAELP CC(C)[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000445523399 315357442 /nfs/dbraw/zinc/35/74/42/315357442.db2.gz ZUZHHTFMNTXMQG-INIZCTEOSA-N 2 2 336.524 2.233 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)CC1 ZINC000543254530 318153937 /nfs/dbraw/zinc/15/39/37/318153937.db2.gz ZNDSCLPXOGOUQS-PKOBYXMFSA-N 2 2 329.488 2.337 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](c3ccc(C)cc3)C2)CC1 ZINC000543254530 318153939 /nfs/dbraw/zinc/15/39/39/318153939.db2.gz ZNDSCLPXOGOUQS-PKOBYXMFSA-N 2 2 329.488 2.337 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000567871660 319428781 /nfs/dbraw/zinc/42/87/81/319428781.db2.gz DPYAPPKFEVSANS-WMZOPIPTSA-N 2 2 341.459 2.292 10 0 EEAELP C[C@H]([NH3+])CCC(=O)NCc1ccc(N2CCc3ccccc3C2)[nH+]c1 ZINC000567981312 319441424 /nfs/dbraw/zinc/44/14/24/319441424.db2.gz FDGQXLHBWGIKIN-HNNXBMFYSA-N 2 2 338.455 2.388 10 0 EEAELP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000574668256 320046510 /nfs/dbraw/zinc/04/65/10/320046510.db2.gz LUZQHLVFXPAATI-AEFFLSMTSA-N 2 2 341.459 2.245 10 0 EEAELP CN(CCC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C)c1cc[nH+]cc1 ZINC000577262422 320245462 /nfs/dbraw/zinc/24/54/62/320245462.db2.gz CXIDKEQXIBCVQS-INIZCTEOSA-N 2 2 327.432 2.251 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000577762190 320274619 /nfs/dbraw/zinc/27/46/19/320274619.db2.gz FUCBGHVCBQPEON-SWLSCSKDSA-N 2 2 325.403 2.026 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000577762190 320274621 /nfs/dbraw/zinc/27/46/21/320274621.db2.gz FUCBGHVCBQPEON-SWLSCSKDSA-N 2 2 325.403 2.026 10 0 EEAELP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000579580705 323883511 /nfs/dbraw/zinc/88/35/11/323883511.db2.gz YLMADQIWNZVLJJ-UHFFFAOYSA-N 2 2 326.400 2.133 10 0 EEAELP CC(=O)Oc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000125708135 463571003 /nfs/dbraw/zinc/57/10/03/463571003.db2.gz PFIQPTFQJBUHCP-OAHLLOKOSA-N 2 2 332.444 2.297 10 0 EEAELP CC(=O)Oc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000125708135 463571009 /nfs/dbraw/zinc/57/10/09/463571009.db2.gz PFIQPTFQJBUHCP-OAHLLOKOSA-N 2 2 332.444 2.297 10 0 EEAELP CCOC(=O)COc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000358292744 465042069 /nfs/dbraw/zinc/04/20/69/465042069.db2.gz WKZMHRDNTGKTLY-UHFFFAOYSA-N 2 2 332.444 2.370 10 0 EEAELP CCOC(=O)COc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000358292744 465042072 /nfs/dbraw/zinc/04/20/72/465042072.db2.gz WKZMHRDNTGKTLY-UHFFFAOYSA-N 2 2 332.444 2.370 10 0 EEAELP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC000339438739 465275445 /nfs/dbraw/zinc/27/54/45/465275445.db2.gz XTPDLHJQHZXWGM-GOEBONIOSA-N 2 2 347.425 2.205 10 0 EEAELP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC000339438739 465275447 /nfs/dbraw/zinc/27/54/47/465275447.db2.gz XTPDLHJQHZXWGM-GOEBONIOSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC000339438739 465275450 /nfs/dbraw/zinc/27/54/50/465275450.db2.gz XTPDLHJQHZXWGM-GOEBONIOSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC000339438739 465275452 /nfs/dbraw/zinc/27/54/52/465275452.db2.gz XTPDLHJQHZXWGM-GOEBONIOSA-N 2 2 347.425 2.205 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046372509 462675350 /nfs/dbraw/zinc/67/53/50/462675350.db2.gz CSYCJMHLMFXZDQ-MRXNPFEDSA-N 2 2 345.491 2.224 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046372509 462675356 /nfs/dbraw/zinc/67/53/56/462675356.db2.gz CSYCJMHLMFXZDQ-MRXNPFEDSA-N 2 2 345.491 2.224 10 0 EEAELP C[N@H+](CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CCSC1 ZINC000153975574 462715479 /nfs/dbraw/zinc/71/54/79/462715479.db2.gz HNDLSOPHSKMNLI-CYBMUJFWSA-N 2 2 338.864 2.041 10 0 EEAELP C[N@@H+](CC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CCSC1 ZINC000153975574 462715483 /nfs/dbraw/zinc/71/54/83/462715483.db2.gz HNDLSOPHSKMNLI-CYBMUJFWSA-N 2 2 338.864 2.041 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066176845 462859168 /nfs/dbraw/zinc/85/91/68/462859168.db2.gz WMJPVKJUFIFXCR-HNNXBMFYSA-N 2 2 347.850 2.367 10 0 EEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000133026670 462894559 /nfs/dbraw/zinc/89/45/59/462894559.db2.gz BHEDWXDDDHNZGI-BBRMVZONSA-N 2 2 325.478 2.193 10 0 EEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000133026670 462894563 /nfs/dbraw/zinc/89/45/63/462894563.db2.gz BHEDWXDDDHNZGI-BBRMVZONSA-N 2 2 325.478 2.193 10 0 EEAELP C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000119403215 462898335 /nfs/dbraw/zinc/89/83/35/462898335.db2.gz MEBNMSRUTLVXDZ-HNNXBMFYSA-N 2 2 347.507 2.326 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCC([N@H+]4CCO[C@@H](C)C4)CC3)cn2c1 ZINC000124116696 463392016 /nfs/dbraw/zinc/39/20/16/463392016.db2.gz RLBXQTDJPLACAZ-INIZCTEOSA-N 2 2 328.460 2.328 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)cn2c1 ZINC000124116696 463392018 /nfs/dbraw/zinc/39/20/18/463392018.db2.gz RLBXQTDJPLACAZ-INIZCTEOSA-N 2 2 328.460 2.328 10 0 EEAELP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000150772019 463423958 /nfs/dbraw/zinc/42/39/58/463423958.db2.gz BTEWPAXQYJOYQZ-CABCVRRESA-N 2 2 347.425 2.205 10 0 EEAELP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000150772019 463423962 /nfs/dbraw/zinc/42/39/62/463423962.db2.gz BTEWPAXQYJOYQZ-CABCVRRESA-N 2 2 347.425 2.205 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000105897631 463491677 /nfs/dbraw/zinc/49/16/77/463491677.db2.gz QVUDCTXJDRVZMY-GFCCVEGCSA-N 2 2 332.370 2.103 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)CC(F)(F)F)C1 ZINC000105897631 463491682 /nfs/dbraw/zinc/49/16/82/463491682.db2.gz QVUDCTXJDRVZMY-GFCCVEGCSA-N 2 2 332.370 2.103 10 0 EEAELP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897722 463494143 /nfs/dbraw/zinc/49/41/43/463494143.db2.gz LCQSGLVXBXVERE-MRXNPFEDSA-N 2 2 336.480 2.015 10 0 EEAELP CCCCOCCNC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897722 463494147 /nfs/dbraw/zinc/49/41/47/463494147.db2.gz LCQSGLVXBXVERE-MRXNPFEDSA-N 2 2 336.480 2.015 10 0 EEAELP CCc1oc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000151480074 463537459 /nfs/dbraw/zinc/53/74/59/463537459.db2.gz LAUCCTDIQRCYFI-UHFFFAOYSA-N 2 2 333.476 2.439 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)C3CC[NH+](C)CC3)CC2)s1 ZINC000073855767 463663389 /nfs/dbraw/zinc/66/33/89/463663389.db2.gz CKGZXIXLRZEBTK-UHFFFAOYSA-N 2 2 335.517 2.297 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177761032 463785292 /nfs/dbraw/zinc/78/52/92/463785292.db2.gz CWVOZWPPYLPHJQ-JKSUJKDBSA-N 2 2 327.432 2.103 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177761032 463785293 /nfs/dbraw/zinc/78/52/93/463785293.db2.gz CWVOZWPPYLPHJQ-JKSUJKDBSA-N 2 2 327.432 2.103 10 0 EEAELP CN(C)c1noc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000185256286 463788211 /nfs/dbraw/zinc/78/82/11/463788211.db2.gz DFRJZNSRAMAMHY-UHFFFAOYSA-N 2 2 343.475 2.480 10 0 EEAELP CN(C)c1noc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000185256286 463788213 /nfs/dbraw/zinc/78/82/13/463788213.db2.gz DFRJZNSRAMAMHY-UHFFFAOYSA-N 2 2 343.475 2.480 10 0 EEAELP C[C@@]1(C[NH+]2CCN(Cc3ncc(-c4ccccc4)o3)CC2)CC[NH2+]C1 ZINC000261705487 463834497 /nfs/dbraw/zinc/83/44/97/463834497.db2.gz CXEPHMMXPSUKOW-HXUWFJFHSA-N 2 2 340.471 2.459 10 0 EEAELP Cc1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cnn1C ZINC000277048413 463856328 /nfs/dbraw/zinc/85/63/28/463856328.db2.gz QBZBKJMWKMQSHJ-LJQANCHMSA-N 2 2 328.460 2.109 10 0 EEAELP Cc1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cnn1C ZINC000277048413 463856332 /nfs/dbraw/zinc/85/63/32/463856332.db2.gz QBZBKJMWKMQSHJ-LJQANCHMSA-N 2 2 328.460 2.109 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C)cc1 ZINC000178285788 463874376 /nfs/dbraw/zinc/87/43/76/463874376.db2.gz DCMWFELBVUTNLK-QZTJIDSGSA-N 2 2 329.444 2.404 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C)cc1 ZINC000178285788 463874378 /nfs/dbraw/zinc/87/43/78/463874378.db2.gz DCMWFELBVUTNLK-QZTJIDSGSA-N 2 2 329.444 2.404 10 0 EEAELP CN(C)C(=O)c1cccc(C[N@H+](CC[NH3+])CCc2ccccc2)c1 ZINC000261844469 463877541 /nfs/dbraw/zinc/87/75/41/463877541.db2.gz XBCDFUCBVNNFNV-UHFFFAOYSA-N 2 2 325.456 2.392 10 0 EEAELP CN(C)C(=O)c1cccc(C[N@@H+](CC[NH3+])CCc2ccccc2)c1 ZINC000261844469 463877545 /nfs/dbraw/zinc/87/75/45/463877545.db2.gz XBCDFUCBVNNFNV-UHFFFAOYSA-N 2 2 325.456 2.392 10 0 EEAELP Clc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cn2c1 ZINC000261915840 463899224 /nfs/dbraw/zinc/89/92/24/463899224.db2.gz JPORZDZAPPTDBW-OAGGEKHMSA-N 2 2 334.851 2.234 10 0 EEAELP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261968871 463914296 /nfs/dbraw/zinc/91/42/96/463914296.db2.gz QJHLMODRRWIPJM-PLACYPQZSA-N 2 2 343.515 2.398 10 0 EEAELP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261968871 463914300 /nfs/dbraw/zinc/91/43/00/463914300.db2.gz QJHLMODRRWIPJM-PLACYPQZSA-N 2 2 343.515 2.398 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243409 464171233 /nfs/dbraw/zinc/17/12/33/464171233.db2.gz WXMZLMCKEGJKBV-IEBWSBKVSA-N 2 2 331.435 2.349 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243409 464171235 /nfs/dbraw/zinc/17/12/35/464171235.db2.gz WXMZLMCKEGJKBV-IEBWSBKVSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243409 464171237 /nfs/dbraw/zinc/17/12/37/464171237.db2.gz WXMZLMCKEGJKBV-IEBWSBKVSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243409 464171238 /nfs/dbraw/zinc/17/12/38/464171238.db2.gz WXMZLMCKEGJKBV-IEBWSBKVSA-N 2 2 331.435 2.349 10 0 EEAELP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272325261 464565983 /nfs/dbraw/zinc/56/59/83/464565983.db2.gz LFARDUKUMGWTTA-HNNXBMFYSA-N 2 2 327.432 2.071 10 0 EEAELP CCC(CC)[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)[NH+]1CCOCC1 ZINC000183343570 464852582 /nfs/dbraw/zinc/85/25/82/464852582.db2.gz KXCPAEGRSVPEIM-SFHVURJKSA-N 2 2 348.491 2.014 10 0 EEAELP Cc1nc(N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)cc[nH+]1 ZINC000183794328 464911384 /nfs/dbraw/zinc/91/13/84/464911384.db2.gz BYTUQFNFXICNCM-UHFFFAOYSA-N 2 2 343.406 2.075 10 0 EEAELP O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1 ZINC000177040833 464914136 /nfs/dbraw/zinc/91/41/36/464914136.db2.gz DRSDVADPCLYXIC-GOSISDBHSA-N 2 2 347.422 2.331 10 0 EEAELP O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1 ZINC000177040833 464914141 /nfs/dbraw/zinc/91/41/41/464914141.db2.gz DRSDVADPCLYXIC-GOSISDBHSA-N 2 2 347.422 2.331 10 0 EEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000250225858 464927330 /nfs/dbraw/zinc/92/73/30/464927330.db2.gz GLOSWPPBWLEJGF-HUUCEWRRSA-N 2 2 349.475 2.495 10 0 EEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000250225858 464927337 /nfs/dbraw/zinc/92/73/37/464927337.db2.gz GLOSWPPBWLEJGF-HUUCEWRRSA-N 2 2 349.475 2.495 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192670395 464973313 /nfs/dbraw/zinc/97/33/13/464973313.db2.gz RDJNYXVJPSTQEY-QWHCGFSZSA-N 2 2 325.403 2.168 10 0 EEAELP Cn1c2ccccc2[nH+]c1NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000342724158 465342574 /nfs/dbraw/zinc/34/25/74/465342574.db2.gz FKUVZPBDUXZYLW-UHFFFAOYSA-N 2 2 336.439 3.018 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000339659960 465425457 /nfs/dbraw/zinc/42/54/57/465425457.db2.gz JACZMKCKPBODKL-ZBFHGGJFSA-N 2 2 349.500 2.490 10 0 EEAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2Cc3ccccc3[C@@H]2C)C1 ZINC000361074346 465748026 /nfs/dbraw/zinc/74/80/26/465748026.db2.gz UFQACIPJCRFWPX-FUHWJXTLSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2Cc3ccccc3[C@@H]2C)C1 ZINC000361074346 465748031 /nfs/dbraw/zinc/74/80/31/465748031.db2.gz UFQACIPJCRFWPX-FUHWJXTLSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2Cc3ccccc3[C@@H]2C)C1 ZINC000361074346 465748037 /nfs/dbraw/zinc/74/80/37/465748037.db2.gz UFQACIPJCRFWPX-FUHWJXTLSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2Cc3ccccc3[C@@H]2C)C1 ZINC000361074346 465748045 /nfs/dbraw/zinc/74/80/45/465748045.db2.gz UFQACIPJCRFWPX-FUHWJXTLSA-N 2 2 345.487 2.036 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000353428201 465874149 /nfs/dbraw/zinc/87/41/49/465874149.db2.gz DFCANUBMBALXLD-JFIYKMOQSA-N 2 2 337.508 2.009 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000353428201 465874158 /nfs/dbraw/zinc/87/41/58/465874158.db2.gz DFCANUBMBALXLD-JFIYKMOQSA-N 2 2 337.508 2.009 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(OC)cc(C)[nH+]1 ZINC000349039968 465934860 /nfs/dbraw/zinc/93/48/60/465934860.db2.gz ZPIAZYOXEZICOS-GOSISDBHSA-N 3 2 334.508 2.247 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(OC)cc(C)[nH+]1 ZINC000349039968 465934870 /nfs/dbraw/zinc/93/48/70/465934870.db2.gz ZPIAZYOXEZICOS-GOSISDBHSA-N 3 2 334.508 2.247 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569358701 468480807 /nfs/dbraw/zinc/48/08/07/468480807.db2.gz HXNWGNJLHJDEOA-SOUVJXGZSA-N 2 2 333.480 2.234 10 0 EEAELP COc1cc(C)[nH+]c(Cn2c3ccccc3[nH+]c2NC[C@H](C)O)c1 ZINC000353933626 466265669 /nfs/dbraw/zinc/26/56/69/466265669.db2.gz NWBFQOVROWZBRC-ZDUSSCGKSA-N 2 2 326.400 2.589 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000367623594 466456210 /nfs/dbraw/zinc/45/62/10/466456210.db2.gz PVJQDUMRTCSULZ-OALUTQOASA-N 2 2 331.504 2.304 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000367623594 466456218 /nfs/dbraw/zinc/45/62/18/466456218.db2.gz PVJQDUMRTCSULZ-OALUTQOASA-N 2 2 331.504 2.304 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[NH+](CCCn2ccnc2)CC1 ZINC000361990174 466464240 /nfs/dbraw/zinc/46/42/40/466464240.db2.gz IKMOFNZBQDWIIG-LJQANCHMSA-N 3 2 344.507 2.346 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[NH+](CCCn2ccnc2)CC1 ZINC000361990174 466464247 /nfs/dbraw/zinc/46/42/47/466464247.db2.gz IKMOFNZBQDWIIG-LJQANCHMSA-N 3 2 344.507 2.346 10 0 EEAELP C[NH+](CCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](CCCn2ccnc2)CC1 ZINC000361990174 466464253 /nfs/dbraw/zinc/46/42/53/466464253.db2.gz IKMOFNZBQDWIIG-LJQANCHMSA-N 3 2 344.507 2.346 10 0 EEAELP C[NH+](CCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCCn2ccnc2)CC1 ZINC000361990174 466464258 /nfs/dbraw/zinc/46/42/58/466464258.db2.gz IKMOFNZBQDWIIG-LJQANCHMSA-N 3 2 344.507 2.346 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000361990174 466464266 /nfs/dbraw/zinc/46/42/66/466464266.db2.gz IKMOFNZBQDWIIG-LJQANCHMSA-N 4 2 344.507 2.346 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000361990174 466464273 /nfs/dbraw/zinc/46/42/73/466464273.db2.gz IKMOFNZBQDWIIG-LJQANCHMSA-N 4 2 344.507 2.346 10 0 EEAELP C[NH+](CCCn1cc[nH+]c1)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000361990174 466464279 /nfs/dbraw/zinc/46/42/79/466464279.db2.gz IKMOFNZBQDWIIG-LJQANCHMSA-N 4 2 344.507 2.346 10 0 EEAELP C[NH+](CCCn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000361990174 466464285 /nfs/dbraw/zinc/46/42/85/466464285.db2.gz IKMOFNZBQDWIIG-LJQANCHMSA-N 4 2 344.507 2.346 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000312513999 466531940 /nfs/dbraw/zinc/53/19/40/466531940.db2.gz HFXPDIQSBALWHJ-WFASDCNBSA-N 2 2 345.281 2.039 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000312513999 466531945 /nfs/dbraw/zinc/53/19/45/466531945.db2.gz HFXPDIQSBALWHJ-WFASDCNBSA-N 2 2 345.281 2.039 10 0 EEAELP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@@H]1C ZINC000423238036 466701955 /nfs/dbraw/zinc/70/19/55/466701955.db2.gz UXYKYXGESQWBPB-YQQAZPJKSA-N 2 2 346.475 2.271 10 0 EEAELP O=C1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCN1C1CC1 ZINC000411336562 466809891 /nfs/dbraw/zinc/80/98/91/466809891.db2.gz SXEJACHWWRLUFJ-UHFFFAOYSA-N 2 2 327.472 2.479 10 0 EEAELP O=C1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CCN1C1CC1 ZINC000411336562 466809895 /nfs/dbraw/zinc/80/98/95/466809895.db2.gz SXEJACHWWRLUFJ-UHFFFAOYSA-N 2 2 327.472 2.479 10 0 EEAELP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423940530 466921308 /nfs/dbraw/zinc/92/13/08/466921308.db2.gz NQTQQECBHIYBCN-OALUTQOASA-N 2 2 345.487 2.008 10 0 EEAELP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423940530 466921310 /nfs/dbraw/zinc/92/13/10/466921310.db2.gz NQTQQECBHIYBCN-OALUTQOASA-N 2 2 345.487 2.008 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417947422 466999141 /nfs/dbraw/zinc/99/91/41/466999141.db2.gz TWDVGZBKZFHEPC-UONOGXRCSA-N 2 2 342.846 2.261 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417947422 466999147 /nfs/dbraw/zinc/99/91/47/466999147.db2.gz TWDVGZBKZFHEPC-UONOGXRCSA-N 2 2 342.846 2.261 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412100501 467009195 /nfs/dbraw/zinc/00/91/95/467009195.db2.gz ISLDGCIIDUXXIG-LPHOPBHVSA-N 2 2 331.460 2.190 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000412100501 467009198 /nfs/dbraw/zinc/00/91/98/467009198.db2.gz ISLDGCIIDUXXIG-LPHOPBHVSA-N 2 2 331.460 2.190 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417984328 467010603 /nfs/dbraw/zinc/01/06/03/467010603.db2.gz METXUCZJBOXFAU-CABCVRRESA-N 2 2 342.846 2.262 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417984328 467010608 /nfs/dbraw/zinc/01/06/08/467010608.db2.gz METXUCZJBOXFAU-CABCVRRESA-N 2 2 342.846 2.262 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000429041013 467295897 /nfs/dbraw/zinc/29/58/97/467295897.db2.gz NTVPXYHCDRFZBA-OAQYLSRUSA-N 2 2 343.515 2.298 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000429041013 467295900 /nfs/dbraw/zinc/29/59/00/467295900.db2.gz NTVPXYHCDRFZBA-OAQYLSRUSA-N 2 2 343.515 2.298 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000429041013 467295901 /nfs/dbraw/zinc/29/59/01/467295901.db2.gz NTVPXYHCDRFZBA-OAQYLSRUSA-N 2 2 343.515 2.298 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000429041013 467295904 /nfs/dbraw/zinc/29/59/04/467295904.db2.gz NTVPXYHCDRFZBA-OAQYLSRUSA-N 2 2 343.515 2.298 10 0 EEAELP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000433326168 467318684 /nfs/dbraw/zinc/31/86/84/467318684.db2.gz MHSUAXYLEJRZOR-LLVKDONJSA-N 2 2 336.427 2.278 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420381697 467387124 /nfs/dbraw/zinc/38/71/24/467387124.db2.gz SBCFCJUDHOBBKB-FQEVSTJZSA-N 2 2 345.487 2.167 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420381697 467387130 /nfs/dbraw/zinc/38/71/30/467387130.db2.gz SBCFCJUDHOBBKB-FQEVSTJZSA-N 2 2 345.487 2.167 10 0 EEAELP CC[N@@H+]1CCO[C@@H](c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)C1 ZINC000420488119 467420791 /nfs/dbraw/zinc/42/07/91/467420791.db2.gz WOARFBVQUWTVCH-OAHLLOKOSA-N 2 2 334.395 2.331 10 0 EEAELP CC[N@H+]1CCO[C@@H](c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)C1 ZINC000420488119 467420796 /nfs/dbraw/zinc/42/07/96/467420796.db2.gz WOARFBVQUWTVCH-OAHLLOKOSA-N 2 2 334.395 2.331 10 0 EEAELP CCOC(=O)COc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000414839346 467437884 /nfs/dbraw/zinc/43/78/84/467437884.db2.gz WBOHGUHCKYZGPR-SFHVURJKSA-N 2 2 328.412 2.418 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414929304 467452052 /nfs/dbraw/zinc/45/20/52/467452052.db2.gz NRXQKKUUCQWREG-XEZPLFJOSA-N 2 2 335.448 2.009 10 0 EEAELP OCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000399106842 467452760 /nfs/dbraw/zinc/45/27/60/467452760.db2.gz IVJPIPBTFNOLON-UHFFFAOYSA-N 2 2 331.229 2.135 10 0 EEAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000449508293 467653505 /nfs/dbraw/zinc/65/35/05/467653505.db2.gz GPWIRLHHOVEEKH-MSOLQXFVSA-N 2 2 331.460 2.367 10 0 EEAELP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000530223646 467965053 /nfs/dbraw/zinc/96/50/53/467965053.db2.gz UCZPWQACNLRWBC-PBHICJAKSA-N 2 2 349.500 2.162 10 0 EEAELP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000515027765 467968958 /nfs/dbraw/zinc/96/89/58/467968958.db2.gz AQUMRMQKJSZKQM-GXTWGEPZSA-N 2 2 327.436 2.091 10 0 EEAELP C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000515027765 467968960 /nfs/dbraw/zinc/96/89/60/467968960.db2.gz AQUMRMQKJSZKQM-GXTWGEPZSA-N 2 2 327.436 2.091 10 0 EEAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000531790494 468075408 /nfs/dbraw/zinc/07/54/08/468075408.db2.gz QGWVVOBZWRKUCE-HNNXBMFYSA-N 2 2 333.480 2.277 10 0 EEAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000531790494 468075411 /nfs/dbraw/zinc/07/54/11/468075411.db2.gz QGWVVOBZWRKUCE-HNNXBMFYSA-N 2 2 333.480 2.277 10 0 EEAELP Cc1nc(N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000489953967 468180323 /nfs/dbraw/zinc/18/03/23/468180323.db2.gz ONRIVXVBIPFOAF-OAHLLOKOSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1nc(N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000489953967 468180329 /nfs/dbraw/zinc/18/03/29/468180329.db2.gz ONRIVXVBIPFOAF-OAHLLOKOSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@@H]2CCC[NH+](Cc3cnc(C)nc3)CC2)cn1 ZINC000549795508 468198358 /nfs/dbraw/zinc/19/83/58/468198358.db2.gz GLEUOFDTGNNAQM-LJQANCHMSA-N 2 2 340.475 2.370 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@@H]2CCC[NH+](Cc3cnc(C)nc3)CC2)cn1 ZINC000549795508 468198363 /nfs/dbraw/zinc/19/83/63/468198363.db2.gz GLEUOFDTGNNAQM-LJQANCHMSA-N 2 2 340.475 2.370 10 0 EEAELP Cc1ncc(C[NH+](C)[C@@H]2CCC[N@H+](Cc3cnc(C)nc3)CC2)cn1 ZINC000549795508 468198369 /nfs/dbraw/zinc/19/83/69/468198369.db2.gz GLEUOFDTGNNAQM-LJQANCHMSA-N 2 2 340.475 2.370 10 0 EEAELP Cc1ncc(C[NH+](C)[C@@H]2CCC[N@@H+](Cc3cnc(C)nc3)CC2)cn1 ZINC000549795508 468198374 /nfs/dbraw/zinc/19/83/74/468198374.db2.gz GLEUOFDTGNNAQM-LJQANCHMSA-N 2 2 340.475 2.370 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cn2c1 ZINC000594401839 468573455 /nfs/dbraw/zinc/57/34/55/468573455.db2.gz JEJVAULQECZZSY-FZNQNYSPSA-N 2 2 346.500 2.332 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000569985789 468573994 /nfs/dbraw/zinc/57/39/94/468573994.db2.gz SLJJMHIQCVIMPP-HIFRSBDPSA-N 2 2 330.407 2.226 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000569985789 468573995 /nfs/dbraw/zinc/57/39/95/468573995.db2.gz SLJJMHIQCVIMPP-HIFRSBDPSA-N 2 2 330.407 2.226 10 0 EEAELP CC1(C)C[NH+](CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000582794662 468597786 /nfs/dbraw/zinc/59/77/86/468597786.db2.gz ONCHYYGLTHPRFM-UHFFFAOYSA-N 2 2 330.476 2.420 10 0 EEAELP Cc1nc(C[NH+]2CCC(CNc3nc(C)[nH+]cc3C)CC2)oc1C ZINC000558529761 468686674 /nfs/dbraw/zinc/68/66/74/468686674.db2.gz RNBKKQLZLYBHKQ-UHFFFAOYSA-N 2 2 329.448 3.022 10 0 EEAELP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000594942697 468728051 /nfs/dbraw/zinc/72/80/51/468728051.db2.gz ZGLBVQUBSLPRKS-IXDOHACOSA-N 2 2 338.492 2.056 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595005014 468742097 /nfs/dbraw/zinc/74/20/97/468742097.db2.gz WRPNSAIBEHOSKD-HRCADAONSA-N 2 2 328.497 2.443 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595005014 468742099 /nfs/dbraw/zinc/74/20/99/468742099.db2.gz WRPNSAIBEHOSKD-HRCADAONSA-N 2 2 328.497 2.443 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571325301 468772204 /nfs/dbraw/zinc/77/22/04/468772204.db2.gz DSUJOLIQVRPPCH-INIZCTEOSA-N 2 2 341.908 2.435 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571325301 468772210 /nfs/dbraw/zinc/77/22/10/468772210.db2.gz DSUJOLIQVRPPCH-INIZCTEOSA-N 2 2 341.908 2.435 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)ccc2n1C ZINC000584289779 468837892 /nfs/dbraw/zinc/83/78/92/468837892.db2.gz IJAYQCVQIHNESW-URKNILKWSA-N 2 2 342.443 2.353 10 0 EEAELP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000572536850 468947222 /nfs/dbraw/zinc/94/72/22/468947222.db2.gz DSLKOUZCSYSVNW-JYJNAYRXSA-N 2 2 339.443 2.380 10 0 EEAELP O=C(Cc1c[nH+]cn1Cc1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572843393 469006820 /nfs/dbraw/zinc/00/68/20/469006820.db2.gz CNELMOVUBSFMMG-HXUWFJFHSA-N 2 2 338.455 2.076 10 0 EEAELP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000573091734 469059353 /nfs/dbraw/zinc/05/93/53/469059353.db2.gz SOEFKOSBFPARDN-IFXJQAMLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000573091734 469059361 /nfs/dbraw/zinc/05/93/61/469059361.db2.gz SOEFKOSBFPARDN-IFXJQAMLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000573091735 469059791 /nfs/dbraw/zinc/05/97/91/469059791.db2.gz SOEFKOSBFPARDN-KUHUBIRLSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000573091735 469059797 /nfs/dbraw/zinc/05/97/97/469059797.db2.gz SOEFKOSBFPARDN-KUHUBIRLSA-N 2 2 347.459 2.106 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)s1 ZINC000595906804 469074853 /nfs/dbraw/zinc/07/48/53/469074853.db2.gz NWJGFINILCYNAS-OAHLLOKOSA-N 2 2 340.489 2.386 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)s1 ZINC000595906804 469074862 /nfs/dbraw/zinc/07/48/62/469074862.db2.gz NWJGFINILCYNAS-OAHLLOKOSA-N 2 2 340.489 2.386 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000614902319 469088283 /nfs/dbraw/zinc/08/82/83/469088283.db2.gz MAXRZWWVANOADE-DJIMGWMZSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000614902319 469088288 /nfs/dbraw/zinc/08/82/88/469088288.db2.gz MAXRZWWVANOADE-DJIMGWMZSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000614902319 469088292 /nfs/dbraw/zinc/08/82/92/469088292.db2.gz MAXRZWWVANOADE-DJIMGWMZSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000614902319 469088295 /nfs/dbraw/zinc/08/82/95/469088295.db2.gz MAXRZWWVANOADE-DJIMGWMZSA-N 2 2 338.455 2.294 10 0 EEAELP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000599337499 469217133 /nfs/dbraw/zinc/21/71/33/469217133.db2.gz AHOUPVKSDNVBEO-QGZVFWFLSA-N 2 2 341.540 2.312 10 0 EEAELP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000599337499 469217147 /nfs/dbraw/zinc/21/71/47/469217147.db2.gz AHOUPVKSDNVBEO-QGZVFWFLSA-N 2 2 341.540 2.312 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340693 469218544 /nfs/dbraw/zinc/21/85/44/469218544.db2.gz YBKPJFBPBUNNEB-HOTGVXAUSA-N 2 2 345.443 2.123 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340693 469218548 /nfs/dbraw/zinc/21/85/48/469218548.db2.gz YBKPJFBPBUNNEB-HOTGVXAUSA-N 2 2 345.443 2.123 10 0 EEAELP COC(=O)c1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000599360287 469225852 /nfs/dbraw/zinc/22/58/52/469225852.db2.gz VQDSEPRRDQYAHX-UONOGXRCSA-N 2 2 332.448 2.006 10 0 EEAELP COC(=O)c1cnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000599360287 469225858 /nfs/dbraw/zinc/22/58/58/469225858.db2.gz VQDSEPRRDQYAHX-UONOGXRCSA-N 2 2 332.448 2.006 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629389401 469529609 /nfs/dbraw/zinc/52/96/09/469529609.db2.gz XHCOIPGQAMWXDG-UHFFFAOYSA-N 2 2 337.427 2.017 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NC1(c3ccccc3)CCC1)C2 ZINC000629585331 469584545 /nfs/dbraw/zinc/58/45/45/469584545.db2.gz RPYPYIHCPBQIFX-KDURUIRLSA-N 2 2 327.472 2.113 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NC1(c3ccccc3)CCC1)C2 ZINC000629585331 469584550 /nfs/dbraw/zinc/58/45/50/469584550.db2.gz RPYPYIHCPBQIFX-KDURUIRLSA-N 2 2 327.472 2.113 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000619771192 469679052 /nfs/dbraw/zinc/67/90/52/469679052.db2.gz UYVOQCKCZVGWOJ-KGLIPLIRSA-N 2 2 335.448 2.105 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000619771192 469679054 /nfs/dbraw/zinc/67/90/54/469679054.db2.gz UYVOQCKCZVGWOJ-KGLIPLIRSA-N 2 2 335.448 2.105 10 0 EEAELP FC(F)(F)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)n1cccn1 ZINC000623594811 469705142 /nfs/dbraw/zinc/70/51/42/469705142.db2.gz JWQHMNVKACZHDB-AWEZNQCLSA-N 2 2 336.321 2.357 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCCC34CC4)C2)CC1 ZINC000623639441 469718884 /nfs/dbraw/zinc/71/88/84/469718884.db2.gz XJSWNUHVPMKDQC-CVEARBPZSA-N 2 2 334.508 2.034 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CCCC34CC4)C2)CC1 ZINC000623639441 469718885 /nfs/dbraw/zinc/71/88/85/469718885.db2.gz XJSWNUHVPMKDQC-CVEARBPZSA-N 2 2 334.508 2.034 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000617551180 469722640 /nfs/dbraw/zinc/72/26/40/469722640.db2.gz MUJFYHZPJJWBJC-IRXDYDNUSA-N 2 2 326.444 2.484 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000617551180 469722643 /nfs/dbraw/zinc/72/26/43/469722643.db2.gz MUJFYHZPJJWBJC-IRXDYDNUSA-N 2 2 326.444 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cscc1Br ZINC000617764190 469796085 /nfs/dbraw/zinc/79/60/85/469796085.db2.gz MDJMVHSUGNGNSP-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cscc1Br ZINC000617764190 469796083 /nfs/dbraw/zinc/79/60/83/469796083.db2.gz MDJMVHSUGNGNSP-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)s1 ZINC000617763969 469796409 /nfs/dbraw/zinc/79/64/09/469796409.db2.gz DFFKBOFPGRZMFI-UHFFFAOYSA-N 2 2 337.411 2.380 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)F)s1 ZINC000617763969 469796414 /nfs/dbraw/zinc/79/64/14/469796414.db2.gz DFFKBOFPGRZMFI-UHFFFAOYSA-N 2 2 337.411 2.380 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccccc1C(F)(F)F ZINC000617766785 469797126 /nfs/dbraw/zinc/79/71/26/469797126.db2.gz VHVKGGNHRRPZDK-UHFFFAOYSA-N 2 2 345.409 2.248 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccccc1C(F)(F)F ZINC000617766785 469797128 /nfs/dbraw/zinc/79/71/28/469797128.db2.gz VHVKGGNHRRPZDK-UHFFFAOYSA-N 2 2 345.409 2.248 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[NH2+]1 ZINC000627047105 469801757 /nfs/dbraw/zinc/80/17/57/469801757.db2.gz ODASEMUTQIEFNR-OLZOCXBDSA-N 2 2 347.850 2.465 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000620621887 469876958 /nfs/dbraw/zinc/87/69/58/469876958.db2.gz YWUOZOSZLQZIGC-CVEARBPZSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000620621887 469876960 /nfs/dbraw/zinc/87/69/60/469876960.db2.gz YWUOZOSZLQZIGC-CVEARBPZSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000620621887 469876961 /nfs/dbraw/zinc/87/69/61/469876961.db2.gz YWUOZOSZLQZIGC-CVEARBPZSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000620621887 469876963 /nfs/dbraw/zinc/87/69/63/469876963.db2.gz YWUOZOSZLQZIGC-CVEARBPZSA-N 2 2 327.513 2.112 10 0 EEAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627653231 469966699 /nfs/dbraw/zinc/96/66/99/469966699.db2.gz INAPHTAJVJLCEH-QVDMIQRCSA-N 2 2 340.471 2.397 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C(F)F)C2CCCCC2)CC1 ZINC000621405460 470043662 /nfs/dbraw/zinc/04/36/62/470043662.db2.gz URUYDOPPYVFOBR-HIFRSBDPSA-N 2 2 331.451 2.343 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625500800 470156446 /nfs/dbraw/zinc/15/64/46/470156446.db2.gz BVTLSKNPLQKQGY-OKZBNKHCSA-N 2 2 347.528 2.479 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625500800 470156448 /nfs/dbraw/zinc/15/64/48/470156448.db2.gz BVTLSKNPLQKQGY-OKZBNKHCSA-N 2 2 347.528 2.479 10 0 EEAELP CCc1ccc([C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)[NH+](C)C)cc1 ZINC000634636932 470272238 /nfs/dbraw/zinc/27/22/38/470272238.db2.gz MGGVDJWPUURHPA-HSALFYBXSA-N 2 2 334.504 2.353 10 0 EEAELP C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000634636795 470272320 /nfs/dbraw/zinc/27/23/20/470272320.db2.gz KDJZGWXRWTYFBA-AABGKKOBSA-N 2 2 332.488 2.325 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000634714104 470284965 /nfs/dbraw/zinc/28/49/65/470284965.db2.gz GIBIJTPRLSLLGM-XWPNQZOQSA-N 2 2 332.488 2.151 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000634714104 470284966 /nfs/dbraw/zinc/28/49/66/470284966.db2.gz GIBIJTPRLSLLGM-XWPNQZOQSA-N 2 2 332.488 2.151 10 0 EEAELP C[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000649886055 470732112 /nfs/dbraw/zinc/73/21/12/470732112.db2.gz KXPIOHBXKOVKTE-UHFFFAOYSA-N 2 2 341.377 2.058 10 0 EEAELP COc1ncncc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647199724 470856460 /nfs/dbraw/zinc/85/64/60/470856460.db2.gz NWEIPBVXFMBYRG-WBVHZDCISA-N 2 2 326.444 2.485 10 0 EEAELP COc1ncncc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647199724 470856465 /nfs/dbraw/zinc/85/64/65/470856465.db2.gz NWEIPBVXFMBYRG-WBVHZDCISA-N 2 2 326.444 2.485 10 0 EEAELP C[N@@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000636288606 470950655 /nfs/dbraw/zinc/95/06/55/470950655.db2.gz ICCVKMIYGIRSSD-INIZCTEOSA-N 2 2 340.471 2.154 10 0 EEAELP C[N@H+]1CC[C@@H](CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000636288606 470950658 /nfs/dbraw/zinc/95/06/58/470950658.db2.gz ICCVKMIYGIRSSD-INIZCTEOSA-N 2 2 340.471 2.154 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899839 471011709 /nfs/dbraw/zinc/01/17/09/471011709.db2.gz ZYRMKOXGZMCHQU-MAUKXSAKSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899839 471011713 /nfs/dbraw/zinc/01/17/13/471011713.db2.gz ZYRMKOXGZMCHQU-MAUKXSAKSA-N 2 2 344.459 2.048 10 0 EEAELP CSc1cccnc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651207772 471090267 /nfs/dbraw/zinc/09/02/67/471090267.db2.gz YIQZWQGMKQVRAT-UHFFFAOYSA-N 2 2 348.516 2.092 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000648131461 471096397 /nfs/dbraw/zinc/09/63/97/471096397.db2.gz QUUVIAZYKMDEFX-IBGZPJMESA-N 2 2 326.444 2.201 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000645012039 471118694 /nfs/dbraw/zinc/11/86/94/471118694.db2.gz LNBAQAIZBYUOAS-RTWAWAEBSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000645012039 471118696 /nfs/dbraw/zinc/11/86/96/471118696.db2.gz LNBAQAIZBYUOAS-RTWAWAEBSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@H](O)Cc1ccccc1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000645012039 471118698 /nfs/dbraw/zinc/11/86/98/471118698.db2.gz LNBAQAIZBYUOAS-RTWAWAEBSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@H](O)Cc1ccccc1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000645012039 471118699 /nfs/dbraw/zinc/11/86/99/471118699.db2.gz LNBAQAIZBYUOAS-RTWAWAEBSA-N 2 2 342.483 2.015 10 0 EEAELP CCCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CC[N@H+](C)C1 ZINC000645254585 471192366 /nfs/dbraw/zinc/19/23/66/471192366.db2.gz GBCKOKPUTXIKJJ-GFCCVEGCSA-N 2 2 347.385 2.071 10 0 EEAELP CCCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CC[N@@H+](C)C1 ZINC000645254585 471192370 /nfs/dbraw/zinc/19/23/70/471192370.db2.gz GBCKOKPUTXIKJJ-GFCCVEGCSA-N 2 2 347.385 2.071 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000655054990 471258514 /nfs/dbraw/zinc/25/85/14/471258514.db2.gz VUSNSNHUNPHZOE-HOTGVXAUSA-N 2 2 330.476 2.267 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000655054990 471258516 /nfs/dbraw/zinc/25/85/16/471258516.db2.gz VUSNSNHUNPHZOE-HOTGVXAUSA-N 2 2 330.476 2.267 10 0 EEAELP CCC[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358042 471278976 /nfs/dbraw/zinc/27/89/76/471278976.db2.gz ZZTZYOJTBIUJHI-NXWXRZEISA-N 2 2 347.503 2.328 10 0 EEAELP CCC[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358042 471278977 /nfs/dbraw/zinc/27/89/77/471278977.db2.gz ZZTZYOJTBIUJHI-NXWXRZEISA-N 2 2 347.503 2.328 10 0 EEAELP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341960 471290345 /nfs/dbraw/zinc/29/03/45/471290345.db2.gz LDYHZWRPJRDNHZ-QFBILLFUSA-N 2 2 339.487 2.252 10 0 EEAELP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341960 471290348 /nfs/dbraw/zinc/29/03/48/471290348.db2.gz LDYHZWRPJRDNHZ-QFBILLFUSA-N 2 2 339.487 2.252 10 0 EEAELP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658343349 471291509 /nfs/dbraw/zinc/29/15/09/471291509.db2.gz QOJLUJUGKBKHGN-QUCCMNQESA-N 2 2 341.503 2.068 10 0 EEAELP C[C@H](CCn1cccn1)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658343349 471291512 /nfs/dbraw/zinc/29/15/12/471291512.db2.gz QOJLUJUGKBKHGN-QUCCMNQESA-N 2 2 341.503 2.068 10 0 EEAELP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372309 471344400 /nfs/dbraw/zinc/34/44/00/471344400.db2.gz IWZJLAACMFEDFC-VQTJNVASSA-N 2 2 333.520 2.189 10 0 EEAELP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372309 471344405 /nfs/dbraw/zinc/34/44/05/471344405.db2.gz IWZJLAACMFEDFC-VQTJNVASSA-N 2 2 333.520 2.189 10 0 EEAELP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655723900 471456710 /nfs/dbraw/zinc/45/67/10/471456710.db2.gz VONXMEVIMCBXOE-UHFFFAOYSA-N 2 2 328.460 2.450 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000653095835 471484131 /nfs/dbraw/zinc/48/41/31/471484131.db2.gz XRGUEQRGTLFYNK-NWDGAFQWSA-N 2 2 337.773 2.339 10 0 EEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926408 471543698 /nfs/dbraw/zinc/54/36/98/471543698.db2.gz FITZDMYCLBUESP-WDEREUQCSA-N 2 2 333.358 2.029 10 0 EEAELP CC[NH+](CC)CC[C@H](CO)Nc1nc(C)[nH+]c(C)c1Br ZINC000663868036 471556434 /nfs/dbraw/zinc/55/64/34/471556434.db2.gz RWPUCXDBBCDKBU-GFCCVEGCSA-N 2 2 345.285 2.361 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000653347976 471593480 /nfs/dbraw/zinc/59/34/80/471593480.db2.gz WXACEBXOQBSPQU-BCFZYGEVSA-N 2 2 345.491 2.095 10 0 EEAELP C[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000661100394 471626104 /nfs/dbraw/zinc/62/61/04/471626104.db2.gz QJWSUDRKBLXZKI-DOTOQJQBSA-N 2 2 341.459 2.302 10 0 EEAELP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000661100394 471626107 /nfs/dbraw/zinc/62/61/07/471626107.db2.gz QJWSUDRKBLXZKI-DOTOQJQBSA-N 2 2 341.459 2.302 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[N@@H+]1C ZINC000653564898 471667880 /nfs/dbraw/zinc/66/78/80/471667880.db2.gz QXISLSLMJMODFJ-AAEUAGOBSA-N 2 2 332.370 2.332 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[N@H+]1C ZINC000653564898 471667885 /nfs/dbraw/zinc/66/78/85/471667885.db2.gz QXISLSLMJMODFJ-AAEUAGOBSA-N 2 2 332.370 2.332 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[NH+]1C ZINC000653564898 471667892 /nfs/dbraw/zinc/66/78/92/471667892.db2.gz QXISLSLMJMODFJ-AAEUAGOBSA-N 2 2 332.370 2.332 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[NH+]1C ZINC000653564898 471667898 /nfs/dbraw/zinc/66/78/98/471667898.db2.gz QXISLSLMJMODFJ-AAEUAGOBSA-N 2 2 332.370 2.332 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000659620951 471702171 /nfs/dbraw/zinc/70/21/71/471702171.db2.gz RDTNKZNWWXUYQG-NVXWUHKLSA-N 2 2 347.507 2.482 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(F)(F)C(C)(C)C ZINC000667265192 471715255 /nfs/dbraw/zinc/71/52/55/471715255.db2.gz JVSIBVLPRIXEJD-UHFFFAOYSA-N 2 2 348.482 2.335 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(F)(F)C(C)(C)C ZINC000667265192 471715260 /nfs/dbraw/zinc/71/52/60/471715260.db2.gz JVSIBVLPRIXEJD-UHFFFAOYSA-N 2 2 348.482 2.335 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000653777588 471737520 /nfs/dbraw/zinc/73/75/20/471737520.db2.gz PZKQMHCXMFRGGD-MOPGFXCFSA-N 2 2 330.472 2.319 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000653777588 471737523 /nfs/dbraw/zinc/73/75/23/471737523.db2.gz PZKQMHCXMFRGGD-MOPGFXCFSA-N 2 2 330.472 2.319 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000653777588 471737526 /nfs/dbraw/zinc/73/75/26/471737526.db2.gz PZKQMHCXMFRGGD-MOPGFXCFSA-N 2 2 330.472 2.319 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000653777588 471737529 /nfs/dbraw/zinc/73/75/29/471737529.db2.gz PZKQMHCXMFRGGD-MOPGFXCFSA-N 2 2 330.472 2.319 10 0 EEAELP CCCCNC(=O)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667506262 471803412 /nfs/dbraw/zinc/80/34/12/471803412.db2.gz DEGWTHKTBANOPB-UHFFFAOYSA-N 2 2 341.459 2.396 10 0 EEAELP CC(C)c1cccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000664704120 471838621 /nfs/dbraw/zinc/83/86/21/471838621.db2.gz SAXRFHQNCCOXQY-UHFFFAOYSA-N 2 2 334.508 2.493 10 0 EEAELP CC(C)c1cccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664704120 471838628 /nfs/dbraw/zinc/83/86/28/471838628.db2.gz SAXRFHQNCCOXQY-UHFFFAOYSA-N 2 2 334.508 2.493 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cc(C(N)=O)cs2)cc1 ZINC000656790067 471840993 /nfs/dbraw/zinc/84/09/93/471840993.db2.gz IDKHMKXHEFBUCV-IRXDYDNUSA-N 2 2 345.468 2.091 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](CCF)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000661695640 471854756 /nfs/dbraw/zinc/85/47/56/471854756.db2.gz GPPLLHKQJLDMAG-IBGZPJMESA-N 2 2 347.478 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/nfs/dbraw/zinc/22/49/74/1181224974.db2.gz OTLLUNDLFMUUJZ-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001481403351 1181224978 /nfs/dbraw/zinc/22/49/78/1181224978.db2.gz OTLLUNDLFMUUJZ-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001481535349 1181669551 /nfs/dbraw/zinc/66/95/51/1181669551.db2.gz DRWVFDPTAHILAL-LSDHHAIUSA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001481535349 1181669556 /nfs/dbraw/zinc/66/95/56/1181669556.db2.gz DRWVFDPTAHILAL-LSDHHAIUSA-N 2 2 338.883 2.156 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]CCc1ccccc1 ZINC001268164969 1181891395 /nfs/dbraw/zinc/89/13/95/1181891395.db2.gz CLRGJIPUHQMIFA-LJQANCHMSA-N 2 2 340.471 2.487 10 0 EEAELP CC[C@H](C(=O)NCC1C[NH+]([C@H](C)c2cnc(C)cn2)C1)[NH+](CC)CC ZINC001481645815 1182058844 /nfs/dbraw/zinc/05/88/44/1182058844.db2.gz XYXFKHKYCBAQLS-CRAIPNDOSA-N 2 2 347.507 2.014 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268377173 1182392461 /nfs/dbraw/zinc/39/24/61/1182392461.db2.gz HKDDFXZBWXYEDG-LSOFDGFXSA-N 2 2 345.274 2.249 10 0 EEAELP C[C@@H](CC[NH2+]Cc1sccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001268431581 1182603565 /nfs/dbraw/zinc/60/35/65/1182603565.db2.gz NICONIPUZAFOLV-NSHDSACASA-N 2 2 326.853 2.283 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)CCCn1cc[nH+]c1 ZINC001268718204 1183638032 /nfs/dbraw/zinc/63/80/32/1183638032.db2.gz ZJJGUKVXEDKAEW-ZDUSSCGKSA-N 2 2 335.839 2.006 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001269025897 1183905926 /nfs/dbraw/zinc/90/59/26/1183905926.db2.gz KKKOXPRQFFVVNQ-BWZQFPAASA-N 2 2 345.491 2.337 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001269025897 1183905928 /nfs/dbraw/zinc/90/59/28/1183905928.db2.gz KKKOXPRQFFVVNQ-BWZQFPAASA-N 2 2 345.491 2.337 10 0 EEAELP CC/C=C/CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001269025897 1183905929 /nfs/dbraw/zinc/90/59/29/1183905929.db2.gz KKKOXPRQFFVVNQ-BWZQFPAASA-N 2 2 345.491 2.337 10 0 EEAELP CC/C=C/CC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001269025897 1183905930 /nfs/dbraw/zinc/90/59/30/1183905930.db2.gz KKKOXPRQFFVVNQ-BWZQFPAASA-N 2 2 345.491 2.337 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CCc1ccccc1 ZINC001270436632 1185097178 /nfs/dbraw/zinc/09/71/78/1185097178.db2.gz PSEURSZCALCLHI-SJLPKXTDSA-N 2 2 340.471 2.030 10 0 EEAELP CC(C)OCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001270745055 1185361859 /nfs/dbraw/zinc/36/18/59/1185361859.db2.gz UBZWRHQTVOUPKN-IBGZPJMESA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)Oc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482375126 1185548694 /nfs/dbraw/zinc/54/86/94/1185548694.db2.gz PSLBQGZZMHJNPC-INIZCTEOSA-N 2 2 344.459 2.307 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1cscn1)C1CCCCC1 ZINC001482412028 1185643007 /nfs/dbraw/zinc/64/30/07/1185643007.db2.gz JNXUXHOPDHPHRT-INIZCTEOSA-N 2 2 347.488 2.195 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001482652340 1187488958 /nfs/dbraw/zinc/48/89/58/1187488958.db2.gz UKHZQVUDHIQSNV-KRWDZBQOSA-N 2 2 346.500 2.336 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001482652340 1187488960 /nfs/dbraw/zinc/48/89/60/1187488960.db2.gz UKHZQVUDHIQSNV-KRWDZBQOSA-N 2 2 346.500 2.336 10 0 EEAELP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272791324 1193500410 /nfs/dbraw/zinc/50/04/10/1193500410.db2.gz QGWLJVOTPNGYIM-WMLDXEAASA-N 2 2 333.480 2.241 10 0 EEAELP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001272791324 1193500411 /nfs/dbraw/zinc/50/04/11/1193500411.db2.gz QGWLJVOTPNGYIM-WMLDXEAASA-N 2 2 333.480 2.241 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001482845990 1187764951 /nfs/dbraw/zinc/76/49/51/1187764951.db2.gz QNURMQYZYVXCAW-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@H](C)C[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483009786 1187992511 /nfs/dbraw/zinc/99/25/11/1187992511.db2.gz DYVLBLQGRYPBGM-AQVLZCAOSA-N 2 2 333.480 2.098 10 0 EEAELP CC[C@H](C)C[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001483009786 1187992512 /nfs/dbraw/zinc/99/25/12/1187992512.db2.gz DYVLBLQGRYPBGM-AQVLZCAOSA-N 2 2 333.480 2.098 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001483026288 1188031548 /nfs/dbraw/zinc/03/15/48/1188031548.db2.gz IFMCRHBSEITEIJ-KVLZDYKBSA-N 2 2 338.455 2.216 10 0 EEAELP CCc1ccccc1C[NH2+]C/C=C/CNC(=O)Cc1[nH]c[nH+]c1C ZINC001483089500 1188452974 /nfs/dbraw/zinc/45/29/74/1188452974.db2.gz WJKOABYFEAIYRK-VOTSOKGWSA-N 2 2 326.444 2.285 10 0 EEAELP Cc1ccccc1C[N@H+]1CCOC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001272901197 1193597195 /nfs/dbraw/zinc/59/71/95/1193597195.db2.gz DRHYEGQUOAZAIS-LJQANCHMSA-N 2 2 347.503 2.044 10 0 EEAELP Cc1ccccc1C[N@@H+]1CCOC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001272901197 1193597196 /nfs/dbraw/zinc/59/71/96/1193597196.db2.gz DRHYEGQUOAZAIS-LJQANCHMSA-N 2 2 347.503 2.044 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CCCn2cc[nH+]c2)c(C)n1 ZINC001485963555 1193655355 /nfs/dbraw/zinc/65/53/55/1193655355.db2.gz RWZHIXYMZWFPJS-INIZCTEOSA-N 2 2 343.475 2.312 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1sccc1Cl ZINC001485963821 1193655605 /nfs/dbraw/zinc/65/56/05/1193655605.db2.gz SHVNESPSTSEAMJ-NSHDSACASA-N 2 2 326.853 2.235 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001483376162 1190417335 /nfs/dbraw/zinc/41/73/35/1190417335.db2.gz DJHUTMCBOWWHNT-AEFFLSMTSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001483376162 1190417338 /nfs/dbraw/zinc/41/73/38/1190417338.db2.gz DJHUTMCBOWWHNT-AEFFLSMTSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001483376162 1190417343 /nfs/dbraw/zinc/41/73/43/1190417343.db2.gz DJHUTMCBOWWHNT-AEFFLSMTSA-N 2 2 337.508 2.033 10 0 EEAELP Cc1conc1C[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001483570780 1190559365 /nfs/dbraw/zinc/55/93/65/1190559365.db2.gz MUZVCJJEICHXFQ-QGZVFWFLSA-N 2 2 339.399 2.158 10 0 EEAELP C[C@H](F)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001409826859 1190659496 /nfs/dbraw/zinc/65/94/96/1190659496.db2.gz LZXKGTGCPWVCIS-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@H](F)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001409826859 1190659498 /nfs/dbraw/zinc/65/94/98/1190659498.db2.gz LZXKGTGCPWVCIS-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001272574655 1190889536 /nfs/dbraw/zinc/88/95/36/1190889536.db2.gz SOTSIBPYZUZVCC-SSLGZMPRSA-N 2 2 336.867 2.104 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001483742042 1190892969 /nfs/dbraw/zinc/89/29/69/1190892969.db2.gz FVIYLGFHXVITQM-HNNXBMFYSA-N 2 2 346.475 2.165 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC001483742042 1190892973 /nfs/dbraw/zinc/89/29/73/1190892973.db2.gz FVIYLGFHXVITQM-HNNXBMFYSA-N 2 2 346.475 2.165 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592676 1190908594 /nfs/dbraw/zinc/90/85/94/1190908594.db2.gz ZJHWYNHZMZLWJR-KGLIPLIRSA-N 2 2 347.488 2.073 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592676 1190908596 /nfs/dbraw/zinc/90/85/96/1190908596.db2.gz ZJHWYNHZMZLWJR-KGLIPLIRSA-N 2 2 347.488 2.073 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001484059770 1191181652 /nfs/dbraw/zinc/18/16/52/1191181652.db2.gz YSSVCBKNPDCWSW-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001484059770 1191181655 /nfs/dbraw/zinc/18/16/55/1191181655.db2.gz YSSVCBKNPDCWSW-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]CCc2ccccc2F)C1 ZINC001484544610 1191407027 /nfs/dbraw/zinc/40/70/27/1191407027.db2.gz XPPZGSSXPKWUBV-OAHLLOKOSA-N 2 2 344.434 2.162 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1COCC[N@@H+]1CCC1CC1 ZINC001484594203 1191435904 /nfs/dbraw/zinc/43/59/04/1191435904.db2.gz SXQVGWFQCVWETP-RDJZCZTQSA-N 2 2 348.491 2.014 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1COCC[N@H+]1CCC1CC1 ZINC001484594203 1191435906 /nfs/dbraw/zinc/43/59/06/1191435906.db2.gz SXQVGWFQCVWETP-RDJZCZTQSA-N 2 2 348.491 2.014 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCC2)c1 ZINC001484664234 1191463731 /nfs/dbraw/zinc/46/37/31/1191463731.db2.gz FSRQTZOWNUMIAM-UHFFFAOYSA-N 2 2 326.444 2.329 10 0 EEAELP Cc1oncc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485163971 1191675531 /nfs/dbraw/zinc/67/55/31/1191675531.db2.gz QWDDZVFXDLFVSQ-QWRGUYRKSA-N 2 2 327.388 2.156 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(C2CC2)no1 ZINC001485309348 1191727923 /nfs/dbraw/zinc/72/79/23/1191727923.db2.gz KKGURKGMVXHRCV-KBXCAEBGSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(C2CC2)no1 ZINC001485309348 1191727925 /nfs/dbraw/zinc/72/79/25/1191727925.db2.gz KKGURKGMVXHRCV-KBXCAEBGSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)Cc1cc(C2CC2)no1 ZINC001485309348 1191727927 /nfs/dbraw/zinc/72/79/27/1191727927.db2.gz KKGURKGMVXHRCV-KBXCAEBGSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001485309348 1191727929 /nfs/dbraw/zinc/72/79/29/1191727929.db2.gz KKGURKGMVXHRCV-KBXCAEBGSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1nccs1 ZINC001485439715 1191785335 /nfs/dbraw/zinc/78/53/35/1191785335.db2.gz OQQWNDKVTVZWFP-CQSZACIVSA-N 2 2 335.477 2.003 10 0 EEAELP C[C@H]1CC[C@@H](C[NH2+]CC2(NC(=O)CCc3c[nH]c[nH+]3)CCCCC2)O1 ZINC001485449297 1191788950 /nfs/dbraw/zinc/78/89/50/1191788950.db2.gz KMSDCJHWBRHQEJ-RDJZCZTQSA-N 2 2 348.491 2.319 10 0 EEAELP C[C@H]1CC[C@@H](C[NH2+]CC2(NC(=O)CCc3c[nH+]c[nH]3)CCCCC2)O1 ZINC001485449297 1191788951 /nfs/dbraw/zinc/78/89/51/1191788951.db2.gz KMSDCJHWBRHQEJ-RDJZCZTQSA-N 2 2 348.491 2.319 10 0 EEAELP COCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485480421 1191807203 /nfs/dbraw/zinc/80/72/03/1191807203.db2.gz ULPMRSLQZUOECQ-BRWVUGGUSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485480421 1191807205 /nfs/dbraw/zinc/80/72/05/1191807205.db2.gz ULPMRSLQZUOECQ-BRWVUGGUSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485480421 1191807207 /nfs/dbraw/zinc/80/72/07/1191807207.db2.gz ULPMRSLQZUOECQ-BRWVUGGUSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485480421 1191807209 /nfs/dbraw/zinc/80/72/09/1191807209.db2.gz ULPMRSLQZUOECQ-BRWVUGGUSA-N 2 2 348.491 2.301 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)co1 ZINC001486183716 1193722770 /nfs/dbraw/zinc/72/27/70/1193722770.db2.gz LGXIJTOYIZRDAN-WMLDXEAASA-N 2 2 336.480 2.184 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)co1 ZINC001486183716 1193722778 /nfs/dbraw/zinc/72/27/78/1193722778.db2.gz LGXIJTOYIZRDAN-WMLDXEAASA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001486223035 1193760560 /nfs/dbraw/zinc/76/05/60/1193760560.db2.gz WTQDBJZUMSXZSW-JKSUJKDBSA-N 2 2 345.447 2.034 10 0 EEAELP Cc1nc(F)ccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000785473322 1195441714 /nfs/dbraw/zinc/44/17/14/1195441714.db2.gz DFOITXMHZFZZRK-IBGZPJMESA-N 2 2 329.419 2.256 10 0 EEAELP Cc1nc(F)ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000785473322 1195441717 /nfs/dbraw/zinc/44/17/17/1195441717.db2.gz DFOITXMHZFZZRK-IBGZPJMESA-N 2 2 329.419 2.256 10 0 EEAELP C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)CC1(C)C)n1cc[nH+]c1 ZINC001410032387 1197480358 /nfs/dbraw/zinc/48/03/58/1197480358.db2.gz RWSVEXNKOBTMJI-NVXWUHKLSA-N 2 2 341.459 2.256 10 0 EEAELP C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)CC1(C)C)n1cc[nH+]c1 ZINC001410032387 1197480359 /nfs/dbraw/zinc/48/03/59/1197480359.db2.gz RWSVEXNKOBTMJI-NVXWUHKLSA-N 2 2 341.459 2.256 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001410331541 1197714674 /nfs/dbraw/zinc/71/46/74/1197714674.db2.gz RPCCGFISSDZSEK-BLLLJJGKSA-N 2 2 347.488 2.072 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)on1 ZINC001410378003 1197772351 /nfs/dbraw/zinc/77/23/51/1197772351.db2.gz LCMMJBOHTRGZEQ-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@H](CO)[NH2+]CC2CC3(CCC3)C2)c(C)[nH+]1 ZINC001410715526 1198326233 /nfs/dbraw/zinc/32/62/33/1198326233.db2.gz ZTSOZQZTQODGIF-QGZVFWFLSA-N 2 2 345.487 2.267 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC001410934435 1198604119 /nfs/dbraw/zinc/60/41/19/1198604119.db2.gz ZOIGFYARZNMNQN-RCCFBDPRSA-N 2 2 330.476 2.290 10 0 EEAELP CO[C@@H](C)C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001410990018 1198666808 /nfs/dbraw/zinc/66/68/08/1198666808.db2.gz VBSOAQBKWQMCRC-LRDDRELGSA-N 2 2 330.432 2.038 10 0 EEAELP Cc1nocc1C[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001411200045 1198907688 /nfs/dbraw/zinc/90/76/88/1198907688.db2.gz TZLXVLCWKVJBPK-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1nocc1C[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001411200045 1198907690 /nfs/dbraw/zinc/90/76/90/1198907690.db2.gz TZLXVLCWKVJBPK-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1nocc1C[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001411200045 1198907693 /nfs/dbraw/zinc/90/76/93/1198907693.db2.gz TZLXVLCWKVJBPK-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1nocc1C[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001411200045 1198907695 /nfs/dbraw/zinc/90/76/95/1198907695.db2.gz TZLXVLCWKVJBPK-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP C[C@@H](O)[C@@H]1CCN(c2cc(NC3CCC(C)([NH+](C)C)CC3)[nH+]cn2)C1 ZINC000866147060 1201446044 /nfs/dbraw/zinc/44/60/44/1201446044.db2.gz IIFIHOWVVNOCQM-JYMZVQIXSA-N 2 2 347.507 2.359 10 0 EEAELP C[C@@H](O)[C@@H]1CCN(c2cc(NC3CCC(C)([NH+](C)C)CC3)nc[nH+]2)C1 ZINC000866147060 1201446050 /nfs/dbraw/zinc/44/60/50/1201446050.db2.gz IIFIHOWVVNOCQM-JYMZVQIXSA-N 2 2 347.507 2.359 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]Cc1ccon1 ZINC001691732164 1204238984 /nfs/dbraw/zinc/23/89/84/1204238984.db2.gz JTXSRHCKTGSTOH-CXAGYDPISA-N 2 2 345.447 2.056 10 0 EEAELP O=C(NCC=CC[NH2+]CC[C@@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001274125597 1204389695 /nfs/dbraw/zinc/38/96/95/1204389695.db2.gz RYIDVTJVJBRAII-KZSQQDEKSA-N 2 2 342.443 2.398 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001274140710 1204402256 /nfs/dbraw/zinc/40/22/56/1204402256.db2.gz BSARPNLKXVCYOF-KVLZDYKBSA-N 2 2 338.455 2.216 10 0 EEAELP C[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ncccn1)[NH+]1CCCCCC1 ZINC001274413133 1205026708 /nfs/dbraw/zinc/02/67/08/1205026708.db2.gz KSYZBIUCPVSUOH-JOGGYFKDSA-N 2 2 345.491 2.064 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)CCc2c[nH+]cn2C)c1 ZINC001274544478 1205076021 /nfs/dbraw/zinc/07/60/21/1205076021.db2.gz MYONHSUASKLCHE-SNAWJCMRSA-N 2 2 340.471 2.432 10 0 EEAELP COc1cc(C2(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2)ccc1C ZINC001412326322 1205696049 /nfs/dbraw/zinc/69/60/49/1205696049.db2.gz IKYAXKGBALACPP-UHFFFAOYSA-N 2 2 347.503 2.035 10 0 EEAELP COc1cc(C2(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2)ccc1C ZINC001412326322 1205696050 /nfs/dbraw/zinc/69/60/50/1205696050.db2.gz IKYAXKGBALACPP-UHFFFAOYSA-N 2 2 347.503 2.035 10 0 EEAELP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000925020719 1206061679 /nfs/dbraw/zinc/06/16/79/1206061679.db2.gz RWMMJRKDPMKVDP-FQEVSTJZSA-N 2 2 344.503 2.455 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc3c4c(cccc42)CC3)CC1 ZINC000925977279 1206177085 /nfs/dbraw/zinc/17/70/85/1206177085.db2.gz RUZWZEWJCJPNTL-UHFFFAOYSA-N 2 2 338.455 2.483 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](CCSc3ccncc3)CC2)c1 ZINC000929525753 1206483374 /nfs/dbraw/zinc/48/33/74/1206483374.db2.gz AQHOBQLHVKYXSN-UHFFFAOYSA-N 2 2 330.457 2.400 10 0 EEAELP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2[nH]nc3c2COCC3)CC1 ZINC000930439804 1206557865 /nfs/dbraw/zinc/55/78/65/1206557865.db2.gz LCFMNDGJPPZBHE-UHFFFAOYSA-N 2 2 349.438 2.353 10 0 EEAELP C[C@@]12C[NH+](CCn3cncn3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931215224 1206616552 /nfs/dbraw/zinc/61/65/52/1206616552.db2.gz VKTWQLSXJLGMCJ-OALUTQOASA-N 2 2 325.460 2.122 10 0 EEAELP Cc1ccccc1OCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001671110953 1212231490 /nfs/dbraw/zinc/23/14/90/1212231490.db2.gz HLCGHWKXTDJATF-SFHVURJKSA-N 2 2 345.487 2.001 10 0 EEAELP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(c2c[nH+]cn2C)CC1)C1CC1 ZINC001413090204 1234054246 /nfs/dbraw/zinc/05/42/46/1234054246.db2.gz FBTNKRAPWWJLQY-AWEZNQCLSA-N 2 2 330.476 2.389 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1F ZINC000903449829 1240498886 /nfs/dbraw/zinc/49/88/86/1240498886.db2.gz IBGXXRNNRVMSRM-ZDUSSCGKSA-N 2 2 325.403 2.093 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1F ZINC000903449829 1240498891 /nfs/dbraw/zinc/49/88/91/1240498891.db2.gz IBGXXRNNRVMSRM-ZDUSSCGKSA-N 2 2 325.403 2.093 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001491063253 1258632239 /nfs/dbraw/zinc/63/22/39/1258632239.db2.gz MYUQFMKXINXYCP-BMFZPTHFSA-N 2 2 344.434 2.207 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001491063253 1258632248 /nfs/dbraw/zinc/63/22/48/1258632248.db2.gz MYUQFMKXINXYCP-BMFZPTHFSA-N 2 2 344.434 2.207 10 0 EEAELP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001273468834 1278560122 /nfs/dbraw/zinc/56/01/22/1278560122.db2.gz UVHXHXFVAHHFKM-GFCCVEGCSA-N 2 2 345.274 2.203 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cs1 ZINC001267896044 1276798050 /nfs/dbraw/zinc/79/80/50/1276798050.db2.gz NANYCEQDXZMRJT-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001489346875 1290531454 /nfs/dbraw/zinc/53/14/54/1290531454.db2.gz GGMNDJBBPJNRCP-INIZCTEOSA-N 2 2 332.492 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001489346875 1290531461 /nfs/dbraw/zinc/53/14/61/1290531461.db2.gz GGMNDJBBPJNRCP-INIZCTEOSA-N 2 2 332.492 2.370 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1csc(C)n1 ZINC001490282382 1291114591 /nfs/dbraw/zinc/11/45/91/1291114591.db2.gz VIVAFBGAFAKFAZ-INIZCTEOSA-N 2 2 338.521 2.264 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1csc(C)n1 ZINC001490282382 1291114597 /nfs/dbraw/zinc/11/45/97/1291114597.db2.gz VIVAFBGAFAKFAZ-INIZCTEOSA-N 2 2 338.521 2.264 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1csc(C)n1 ZINC001490282382 1291114608 /nfs/dbraw/zinc/11/46/08/1291114608.db2.gz VIVAFBGAFAKFAZ-INIZCTEOSA-N 2 2 338.521 2.264 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1csc(C)n1 ZINC001490282382 1291114614 /nfs/dbraw/zinc/11/46/14/1291114614.db2.gz VIVAFBGAFAKFAZ-INIZCTEOSA-N 2 2 338.521 2.264 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000852211981 1292042991 /nfs/dbraw/zinc/04/29/91/1292042991.db2.gz YIYQKRKYRAQFIK-QZTJIDSGSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000852211981 1292043001 /nfs/dbraw/zinc/04/30/01/1292043001.db2.gz YIYQKRKYRAQFIK-QZTJIDSGSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000852211981 1292043011 /nfs/dbraw/zinc/04/30/11/1292043011.db2.gz YIYQKRKYRAQFIK-QZTJIDSGSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000852211981 1292043019 /nfs/dbraw/zinc/04/30/19/1292043019.db2.gz YIYQKRKYRAQFIK-QZTJIDSGSA-N 2 2 340.895 2.325 10 0 EEAELP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013472 1293987636 /nfs/dbraw/zinc/98/76/36/1293987636.db2.gz CWHTVTAFXNRVIV-RTBURBONSA-N 2 2 345.487 2.259 10 0 EEAELP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013472 1293987638 /nfs/dbraw/zinc/98/76/38/1293987638.db2.gz CWHTVTAFXNRVIV-RTBURBONSA-N 2 2 345.487 2.259 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023432 1293989296 /nfs/dbraw/zinc/98/92/96/1293989296.db2.gz MXRIJDFYHBLPIR-MSOLQXFVSA-N 2 2 333.476 2.115 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023432 1293989300 /nfs/dbraw/zinc/98/93/00/1293989300.db2.gz MXRIJDFYHBLPIR-MSOLQXFVSA-N 2 2 333.476 2.115 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023432 1293989304 /nfs/dbraw/zinc/98/93/04/1293989304.db2.gz MXRIJDFYHBLPIR-MSOLQXFVSA-N 2 2 333.476 2.115 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023432 1293989307 /nfs/dbraw/zinc/98/93/07/1293989307.db2.gz MXRIJDFYHBLPIR-MSOLQXFVSA-N 2 2 333.476 2.115 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000860030028 1294764144 /nfs/dbraw/zinc/76/41/44/1294764144.db2.gz WJZZPTBPXBTIKH-INIZCTEOSA-N 2 2 336.476 2.049 10 0 EEAELP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000864970560 1296599140 /nfs/dbraw/zinc/59/91/40/1296599140.db2.gz SMTZJKDLINGYFR-QGPMSJSTSA-N 2 2 342.443 2.127 10 0 EEAELP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000864970560 1296599150 /nfs/dbraw/zinc/59/91/50/1296599150.db2.gz SMTZJKDLINGYFR-QGPMSJSTSA-N 2 2 342.443 2.127 10 0 EEAELP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000926861253 1296943480 /nfs/dbraw/zinc/94/34/80/1296943480.db2.gz YCNWAYQLRCPKOA-SUMDDJOVSA-N 2 2 342.487 2.440 10 0 EEAELP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000926861253 1296943482 /nfs/dbraw/zinc/94/34/82/1296943482.db2.gz YCNWAYQLRCPKOA-SUMDDJOVSA-N 2 2 342.487 2.440 10 0 EEAELP CC[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@H]1[NH2+]CCOC ZINC001276737466 1297115110 /nfs/dbraw/zinc/11/51/10/1297115110.db2.gz ADDRNPGJWDSCLJ-DOTOQJQBSA-N 2 2 344.459 2.119 10 0 EEAELP COCCCC[NH2+][C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@@H]1C ZINC001278251174 1308914991 /nfs/dbraw/zinc/91/49/91/1308914991.db2.gz LXUVIDXPRKXHNO-WBVHZDCISA-N 2 2 344.459 2.262 10 0 EEAELP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001276396920 1314695101 /nfs/dbraw/zinc/69/51/01/1314695101.db2.gz JXJWQVKQSCTHQO-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC001265311831 1323061643 /nfs/dbraw/zinc/06/16/43/1323061643.db2.gz BCSJAHRIMNEQCH-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC001265311831 1323061650 /nfs/dbraw/zinc/06/16/50/1323061650.db2.gz BCSJAHRIMNEQCH-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1noc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001265414436 1323141717 /nfs/dbraw/zinc/14/17/17/1323141717.db2.gz JGPQJJQHTUOJOF-CALCHBBNSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001265414436 1323141723 /nfs/dbraw/zinc/14/17/23/1323141723.db2.gz JGPQJJQHTUOJOF-CALCHBBNSA-N 2 2 348.491 2.199 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265540334 1323212072 /nfs/dbraw/zinc/21/20/72/1323212072.db2.gz NKFZXSXJJDGQER-SSGMOAHOSA-N 2 2 330.476 2.355 10 0 EEAELP COCCCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001265587209 1323244162 /nfs/dbraw/zinc/24/41/62/1323244162.db2.gz XVMAXGXVFKDNQJ-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP COCCCC[N@H+]1CCC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001265587209 1323244168 /nfs/dbraw/zinc/24/41/68/1323244168.db2.gz XVMAXGXVFKDNQJ-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP 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/nfs/dbraw/zinc/84/51/38/1341845138.db2.gz YRIGUVKOSMGSRG-HNNXBMFYSA-N 2 2 335.496 2.106 10 0 EEAELP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccnc1)[NH+]1CCCCCC1 ZINC001436318407 1342023242 /nfs/dbraw/zinc/02/32/42/1342023242.db2.gz HGTSUFGEBJPOJW-MJGOQNOKSA-N 2 2 344.503 2.379 10 0 EEAELP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1cccnc1)[NH+]1CCCCCC1 ZINC001436318407 1342023244 /nfs/dbraw/zinc/02/32/44/1342023244.db2.gz HGTSUFGEBJPOJW-MJGOQNOKSA-N 2 2 344.503 2.379 10 0 EEAELP Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c(C)o1 ZINC001436390333 1342067411 /nfs/dbraw/zinc/06/74/11/1342067411.db2.gz DMHXAPPRTVZNIR-DAXOMENPSA-N 2 2 345.447 2.124 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001500280029 1342130517 /nfs/dbraw/zinc/13/05/17/1342130517.db2.gz KIVUQIUKQFBPFP-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001500280029 1342130518 /nfs/dbraw/zinc/13/05/18/1342130518.db2.gz KIVUQIUKQFBPFP-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001500280029 1342130519 /nfs/dbraw/zinc/13/05/19/1342130519.db2.gz KIVUQIUKQFBPFP-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001500280029 1342130520 /nfs/dbraw/zinc/13/05/20/1342130520.db2.gz KIVUQIUKQFBPFP-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)Cn3cc[nH+]c3)C2)c(C)s1 ZINC001500295696 1342142435 /nfs/dbraw/zinc/14/24/35/1342142435.db2.gz LQKMEXMBBLVSQU-KRWDZBQOSA-N 2 2 332.473 2.342 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)Cn3cc[nH+]c3)C2)c(C)s1 ZINC001500295696 1342142437 /nfs/dbraw/zinc/14/24/37/1342142437.db2.gz LQKMEXMBBLVSQU-KRWDZBQOSA-N 2 2 332.473 2.342 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1coc(C)n1 ZINC001506579104 1342257689 /nfs/dbraw/zinc/25/76/89/1342257689.db2.gz LLULYXZCRJXDHR-QGZVFWFLSA-N 2 2 336.480 2.186 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1coc(C)n1 ZINC001506579104 1342257693 /nfs/dbraw/zinc/25/76/93/1342257693.db2.gz LLULYXZCRJXDHR-QGZVFWFLSA-N 2 2 336.480 2.186 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1coc(C)n1 ZINC001506579104 1342257699 /nfs/dbraw/zinc/25/76/99/1342257699.db2.gz LLULYXZCRJXDHR-QGZVFWFLSA-N 2 2 336.480 2.186 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1coc(C)n1 ZINC001506579104 1342257700 /nfs/dbraw/zinc/25/77/00/1342257700.db2.gz LLULYXZCRJXDHR-QGZVFWFLSA-N 2 2 336.480 2.186 10 0 EEAELP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001506631326 1342294224 /nfs/dbraw/zinc/29/42/24/1342294224.db2.gz JJNJDRSKTASXEG-JKSUJKDBSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1ccc2nc(C[NH+]3CCC(c4c[nH+]cn4C)CC3)cc(=O)n2c1 ZINC001560232638 1342509730 /nfs/dbraw/zinc/50/97/30/1342509730.db2.gz BXWQHIVRDBMQOA-UHFFFAOYSA-N 2 2 337.427 2.116 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1ccnc(Cl)c1 ZINC001675035558 1356927158 /nfs/dbraw/zinc/92/71/58/1356927158.db2.gz DYCLKWDWSRNABI-CYBMUJFWSA-N 2 2 349.866 2.038 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1ccnc(Cl)c1 ZINC001675035558 1356927160 /nfs/dbraw/zinc/92/71/60/1356927160.db2.gz DYCLKWDWSRNABI-CYBMUJFWSA-N 2 2 349.866 2.038 10 0 EEAELP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001567702581 1342815866 /nfs/dbraw/zinc/81/58/66/1342815866.db2.gz GDYMKUJKLQVPAV-IAGOWNOFSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001567702581 1342815873 /nfs/dbraw/zinc/81/58/73/1342815873.db2.gz GDYMKUJKLQVPAV-IAGOWNOFSA-N 2 2 330.476 2.240 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCOCC2CC2)CC1)n1cc[nH+]c1 ZINC001570183644 1343028454 /nfs/dbraw/zinc/02/84/54/1343028454.db2.gz OIZAXYFOZJDBES-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCOCC2CC2)CC1)n1cc[nH+]c1 ZINC001570183644 1343028456 /nfs/dbraw/zinc/02/84/56/1343028456.db2.gz OIZAXYFOZJDBES-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCC1CCC1 ZINC001676377451 1357142685 /nfs/dbraw/zinc/14/26/85/1357142685.db2.gz ZDEDCYSJSCMOPS-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP CC1CC(C[N@H+]2CC=C(CNC(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001677627776 1357377438 /nfs/dbraw/zinc/37/74/38/1357377438.db2.gz JNWVLAVSWUHDSK-UHFFFAOYSA-N 2 2 330.476 2.147 10 0 EEAELP CC1CC(C[N@@H+]2CC=C(CNC(=O)CCc3c[nH+]cn3C)CC2)C1 ZINC001677627776 1357377441 /nfs/dbraw/zinc/37/74/41/1357377441.db2.gz JNWVLAVSWUHDSK-UHFFFAOYSA-N 2 2 330.476 2.147 10 0 EEAELP C[C@H](C[N@H+](C)CCc1ccns1)NC(=O)c1cccc2[nH+]ccn21 ZINC001649451073 1353511807 /nfs/dbraw/zinc/51/18/07/1353511807.db2.gz AUYWWBGTPJZNMI-CYBMUJFWSA-N 2 2 343.456 2.084 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1ccns1)NC(=O)c1cccc2[nH+]ccn21 ZINC001649451073 1353511811 /nfs/dbraw/zinc/51/18/11/1353511811.db2.gz AUYWWBGTPJZNMI-CYBMUJFWSA-N 2 2 343.456 2.084 10 0 EEAELP C[C@@H](F)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCc1[nH+]ccn1C ZINC001656558339 1354248189 /nfs/dbraw/zinc/24/81/89/1354248189.db2.gz AKCDEGCEFDVWCS-OAGGEKHMSA-N 2 2 338.471 2.318 10 0 EEAELP COCCCC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001656890506 1354295160 /nfs/dbraw/zinc/29/51/60/1354295160.db2.gz ZAWSRXPXYQQROJ-KRWDZBQOSA-N 2 2 336.480 2.130 10 0 EEAELP COCCCC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001656890506 1354295164 /nfs/dbraw/zinc/29/51/64/1354295164.db2.gz ZAWSRXPXYQQROJ-KRWDZBQOSA-N 2 2 336.480 2.130 10 0 EEAELP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001661942263 1354726057 /nfs/dbraw/zinc/72/60/57/1354726057.db2.gz DNHZUGBPZCTMRN-QZTJIDSGSA-N 2 2 337.508 2.011 10 0 EEAELP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001661942263 1354726060 /nfs/dbraw/zinc/72/60/60/1354726060.db2.gz DNHZUGBPZCTMRN-QZTJIDSGSA-N 2 2 337.508 2.011 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC001665549641 1355323998 /nfs/dbraw/zinc/32/39/98/1355323998.db2.gz IUGYATOIUVZXFK-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC001665549641 1355324004 /nfs/dbraw/zinc/32/40/04/1355324004.db2.gz IUGYATOIUVZXFK-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC001665549641 1355324012 /nfs/dbraw/zinc/32/40/12/1355324012.db2.gz IUGYATOIUVZXFK-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC001665549641 1355324014 /nfs/dbraw/zinc/32/40/14/1355324014.db2.gz IUGYATOIUVZXFK-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001668888086 1356036642 /nfs/dbraw/zinc/03/66/42/1356036642.db2.gz SXYJLGHCNROURC-IDTUSYRASA-N 2 2 348.491 2.218 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001668888086 1356036645 /nfs/dbraw/zinc/03/66/45/1356036645.db2.gz SXYJLGHCNROURC-IDTUSYRASA-N 2 2 348.491 2.218 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001669974506 1356253960 /nfs/dbraw/zinc/25/39/60/1356253960.db2.gz VVBFSIUYTAIGEJ-SJLPKXTDSA-N 2 2 348.491 2.034 10 0 EEAELP COc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001670261298 1356306998 /nfs/dbraw/zinc/30/69/98/1356306998.db2.gz JJSCOPXRFIWWFU-AWEZNQCLSA-N 2 2 330.432 2.160 10 0 EEAELP CCOCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001671753080 1356407645 /nfs/dbraw/zinc/40/76/45/1356407645.db2.gz NCLOMARUQSJGKU-LJQANCHMSA-N 2 2 344.459 2.431 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690745805 1404935855 /nfs/dbraw/zinc/93/58/55/1404935855.db2.gz MVAIFYDFUPXDLH-INIZCTEOSA-N 2 2 340.471 2.195 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001691935071 1404967540 /nfs/dbraw/zinc/96/75/40/1404967540.db2.gz BEMONGFWIRMDAJ-OCCSQVGLSA-N 2 2 346.397 2.369 10 0 EEAELP CC(C)C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001698869553 1405122761 /nfs/dbraw/zinc/12/27/61/1405122761.db2.gz CPYXTOAKFNMSIW-SJORKVTESA-N 2 2 332.492 2.366 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1Cl)C(=O)Cc1c[nH+]cn1C ZINC001699545465 1405380103 /nfs/dbraw/zinc/38/01/03/1405380103.db2.gz RLSJYBHHAHCYOF-UHFFFAOYSA-N 2 2 348.878 2.297 10 0 EEAELP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3[nH]ncc32)(N2CCCCC2)CC1 ZINC000353527694 776311819 /nfs/dbraw/zinc/31/18/19/776311819.db2.gz LQSQJXGXWMVXNI-QGZVFWFLSA-N 2 2 331.508 2.327 10 0 EEAELP C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@@]2(C)C1 ZINC000913288241 788764509 /nfs/dbraw/zinc/76/45/09/788764509.db2.gz CBQZOXXLPOYTTP-BGYRXZFFSA-N 2 2 338.455 2.345 10 0 EEAELP C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@@]2(C)C1 ZINC000913288241 788764516 /nfs/dbraw/zinc/76/45/16/788764516.db2.gz CBQZOXXLPOYTTP-BGYRXZFFSA-N 2 2 338.455 2.345 10 0 EEAELP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288462 788987969 /nfs/dbraw/zinc/98/79/69/788987969.db2.gz UCJSRWAVUBSFHX-SJLPKXTDSA-N 2 2 335.492 2.414 10 0 EEAELP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288462 788987977 /nfs/dbraw/zinc/98/79/77/788987977.db2.gz UCJSRWAVUBSFHX-SJLPKXTDSA-N 2 2 335.492 2.414 10 0 EEAELP O[C@H](COc1ccccc1C(F)(F)F)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923383335 789466872 /nfs/dbraw/zinc/46/68/72/789466872.db2.gz YWZOESIYOVAGCX-ZDUSSCGKSA-N 2 2 344.377 2.273 10 0 EEAELP C[C@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)C(F)(F)F ZINC000929695926 793614081 /nfs/dbraw/zinc/61/40/81/793614081.db2.gz IVKXOCHFWNSSMM-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP C[C@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)C(F)(F)F ZINC000929695926 793614088 /nfs/dbraw/zinc/61/40/88/793614088.db2.gz IVKXOCHFWNSSMM-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1cscn1 ZINC001436439167 1087828268 /nfs/dbraw/zinc/82/82/68/1087828268.db2.gz LQRGBZDPMKLDQV-JKSUJKDBSA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1Cc1cscn1 ZINC001436439167 1087828292 /nfs/dbraw/zinc/82/82/92/1087828292.db2.gz LQRGBZDPMKLDQV-JKSUJKDBSA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1Cc1cscn1 ZINC001436439167 1087828323 /nfs/dbraw/zinc/82/83/23/1087828323.db2.gz LQRGBZDPMKLDQV-JKSUJKDBSA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1Cc1cscn1 ZINC001436439167 1087828347 /nfs/dbraw/zinc/82/83/47/1087828347.db2.gz LQRGBZDPMKLDQV-JKSUJKDBSA-N 2 2 336.505 2.097 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CC[C@H]3CCCCO3)ccn12 ZINC001437136186 1089128432 /nfs/dbraw/zinc/12/84/32/1089128432.db2.gz NMZWZFYZTKBICM-RHSMWYFYSA-N 2 2 344.459 2.310 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H]([NH2+]CC[C@H](C)F)C3)[nH+]c12 ZINC001437282923 1089436233 /nfs/dbraw/zinc/43/62/33/1089436233.db2.gz MCQOJJCRBBVQBF-GJZGRUSLSA-N 2 2 332.423 2.124 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]C/C(Cl)=C\Cl ZINC001437380182 1089628454 /nfs/dbraw/zinc/62/84/54/1089628454.db2.gz FJJRMHMKANOCFR-DDFCOYPESA-N 2 2 345.274 2.249 10 0 EEAELP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001438272897 1090758036 /nfs/dbraw/zinc/75/80/36/1090758036.db2.gz RLJNMKQKAISMBI-CYBMUJFWSA-N 2 2 334.291 2.324 10 0 EEAELP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001438272897 1090758042 /nfs/dbraw/zinc/75/80/42/1090758042.db2.gz RLJNMKQKAISMBI-CYBMUJFWSA-N 2 2 334.291 2.324 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001438553166 1091045299 /nfs/dbraw/zinc/04/52/99/1091045299.db2.gz QPPNKSDKYWHRSL-STQMWFEESA-N 2 2 336.386 2.264 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)cc1 ZINC001445396259 1091141514 /nfs/dbraw/zinc/14/15/14/1091141514.db2.gz PXKIWWRJRIMARC-CQSZACIVSA-N 2 2 344.459 2.230 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)c1 ZINC001445453787 1091218087 /nfs/dbraw/zinc/21/80/87/1091218087.db2.gz KOIINHHYPTUYSF-HZPDHXFCSA-N 2 2 328.460 2.500 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)c1 ZINC001445453787 1091218092 /nfs/dbraw/zinc/21/80/92/1091218092.db2.gz KOIINHHYPTUYSF-HZPDHXFCSA-N 2 2 328.460 2.500 10 0 EEAELP CC(C)C[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001438741397 1091293684 /nfs/dbraw/zinc/29/36/84/1091293684.db2.gz ZBIBOUBTJVPWMB-JKSUJKDBSA-N 2 2 344.459 2.105 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1sccc1Cl)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691149 1091490577 /nfs/dbraw/zinc/49/05/77/1091490577.db2.gz TWQKUJQLZACVCQ-AAEUAGOBSA-N 2 2 329.897 2.432 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1sccc1Cl)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691149 1091490579 /nfs/dbraw/zinc/49/05/79/1091490579.db2.gz TWQKUJQLZACVCQ-AAEUAGOBSA-N 2 2 329.897 2.432 10 0 EEAELP C[C@@H](C[NH+](C)Cc1sccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445691149 1091490582 /nfs/dbraw/zinc/49/05/82/1091490582.db2.gz TWQKUJQLZACVCQ-AAEUAGOBSA-N 2 2 329.897 2.432 10 0 EEAELP C[C@@H](C[NH+](C)Cc1sccc1Cl)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001445691149 1091490584 /nfs/dbraw/zinc/49/05/84/1091490584.db2.gz TWQKUJQLZACVCQ-AAEUAGOBSA-N 2 2 329.897 2.432 10 0 EEAELP CC(C)C[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cccnc1)n1cc[nH+]c1 ZINC001438887751 1091532706 /nfs/dbraw/zinc/53/27/06/1091532706.db2.gz QCZLPUZYMRANNV-SFHVURJKSA-N 2 2 343.475 2.456 10 0 EEAELP CC(C)C[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1cccnc1)n1cc[nH+]c1 ZINC001438887751 1091532712 /nfs/dbraw/zinc/53/27/12/1091532712.db2.gz QCZLPUZYMRANNV-SFHVURJKSA-N 2 2 343.475 2.456 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001438890613 1091537388 /nfs/dbraw/zinc/53/73/88/1091537388.db2.gz QBFALBMYKYHXCB-FUHWJXTLSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001438890613 1091537391 /nfs/dbraw/zinc/53/73/91/1091537391.db2.gz QBFALBMYKYHXCB-FUHWJXTLSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001438890613 1091537398 /nfs/dbraw/zinc/53/73/98/1091537398.db2.gz QBFALBMYKYHXCB-FUHWJXTLSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001438890613 1091537402 /nfs/dbraw/zinc/53/74/02/1091537402.db2.gz QBFALBMYKYHXCB-FUHWJXTLSA-N 2 2 348.491 2.144 10 0 EEAELP C[C@H](C[N@H+](C)CC=C(Cl)Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445760315 1091606263 /nfs/dbraw/zinc/60/62/63/1091606263.db2.gz WCBOSGCILZBLCA-DGCLKSJQSA-N 2 2 334.291 2.084 10 0 EEAELP C[C@H](C[N@@H+](C)CC=C(Cl)Cl)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445760315 1091606270 /nfs/dbraw/zinc/60/62/70/1091606270.db2.gz WCBOSGCILZBLCA-DGCLKSJQSA-N 2 2 334.291 2.084 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)c(C)o1 ZINC001439120435 1091763951 /nfs/dbraw/zinc/76/39/51/1091763951.db2.gz UOFAPAYKHYWPPF-CXAGYDPISA-N 2 2 347.463 2.370 10 0 EEAELP C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001439342548 1092046695 /nfs/dbraw/zinc/04/66/95/1092046695.db2.gz YNSQIVBDZYIRJB-NVXWUHKLSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001439342548 1092046700 /nfs/dbraw/zinc/04/67/00/1092046700.db2.gz YNSQIVBDZYIRJB-NVXWUHKLSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439381832 1092125358 /nfs/dbraw/zinc/12/53/58/1092125358.db2.gz MBFZJDCQSNTMSI-KBPBESRZSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439381832 1092125360 /nfs/dbraw/zinc/12/53/60/1092125360.db2.gz MBFZJDCQSNTMSI-KBPBESRZSA-N 2 2 332.423 2.364 10 0 EEAELP Cc1ccc(F)c(C[N@@H+](C)C[C@@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001439398804 1092153235 /nfs/dbraw/zinc/15/32/35/1092153235.db2.gz JQUAFYWXLLTVLI-OAHLLOKOSA-N 2 2 346.450 2.437 10 0 EEAELP Cc1ccc(F)c(C[N@H+](C)C[C@@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001439398804 1092153237 /nfs/dbraw/zinc/15/32/37/1092153237.db2.gz JQUAFYWXLLTVLI-OAHLLOKOSA-N 2 2 346.450 2.437 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)on1 ZINC001439403131 1092161953 /nfs/dbraw/zinc/16/19/53/1092161953.db2.gz FJPJMUMFHLYUCU-CRAIPNDOSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)on1 ZINC001439403131 1092161954 /nfs/dbraw/zinc/16/19/54/1092161954.db2.gz FJPJMUMFHLYUCU-CRAIPNDOSA-N 2 2 344.459 2.222 10 0 EEAELP CCCc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001439581380 1092477119 /nfs/dbraw/zinc/47/71/19/1092477119.db2.gz KBRNBBZBALRDRO-GOSISDBHSA-N 2 2 326.444 2.226 10 0 EEAELP CCCc1ccc(C[N@H+]2CC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001439581380 1092477126 /nfs/dbraw/zinc/47/71/26/1092477126.db2.gz KBRNBBZBALRDRO-GOSISDBHSA-N 2 2 326.444 2.226 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001439755510 1092714106 /nfs/dbraw/zinc/71/41/06/1092714106.db2.gz AKFLGVPSZNEROS-UHFFFAOYSA-N 2 2 328.460 2.151 10 0 EEAELP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]C[C@@H]2CCCCO2)C1)c1c[nH+]c[nH]1 ZINC001439900917 1092961654 /nfs/dbraw/zinc/96/16/54/1092961654.db2.gz IYHSTCNBJOFOQA-HNAYVOBHSA-N 2 2 348.491 2.085 10 0 EEAELP Cc1cccnc1C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001448379828 1093356183 /nfs/dbraw/zinc/35/61/83/1093356183.db2.gz GADGYLAWOXWXDH-KRWDZBQOSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1cccnc1C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001448379828 1093356190 /nfs/dbraw/zinc/35/61/90/1093356190.db2.gz GADGYLAWOXWXDH-KRWDZBQOSA-N 2 2 341.459 2.003 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001448422640 1093433063 /nfs/dbraw/zinc/43/30/63/1093433063.db2.gz XNLHOVHEJHLEAW-NVXWUHKLSA-N 2 2 334.508 2.471 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001448422640 1093433070 /nfs/dbraw/zinc/43/30/70/1093433070.db2.gz XNLHOVHEJHLEAW-NVXWUHKLSA-N 2 2 334.508 2.471 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC001440315208 1093448343 /nfs/dbraw/zinc/44/83/43/1093448343.db2.gz CEKMNSVZPQJSFT-FZNQNYSPSA-N 2 2 332.835 2.221 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CC(C)(C)CO2)C1)n1cc[nH+]c1 ZINC001448528293 1093562355 /nfs/dbraw/zinc/56/23/55/1093562355.db2.gz VDHJOFXLPCRWMR-LUKYLMHMSA-N 2 2 348.491 2.134 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001448745502 1093815664 /nfs/dbraw/zinc/81/56/64/1093815664.db2.gz HAFHVZRQZRJEFK-CHWSQXEVSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1Cl ZINC001448788628 1093868911 /nfs/dbraw/zinc/86/89/11/1093868911.db2.gz FACOZFLKIYVOIW-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP C[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(F)c1Cl ZINC001440671007 1093934641 /nfs/dbraw/zinc/93/46/41/1093934641.db2.gz JCJGHYVCGGBNBA-NSHDSACASA-N 2 2 338.814 2.429 10 0 EEAELP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001440936768 1094189567 /nfs/dbraw/zinc/18/95/67/1094189567.db2.gz CCMVBVCUJMEWBP-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001440936768 1094189568 /nfs/dbraw/zinc/18/95/68/1094189568.db2.gz CCMVBVCUJMEWBP-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP CC(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001449371557 1094340316 /nfs/dbraw/zinc/34/03/16/1094340316.db2.gz UTLWSEHIEGJLTN-ZIAGYGMSSA-N 2 2 346.397 2.298 10 0 EEAELP O=C(NC1(C[NH2+]CC2CC2)CCCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001441104791 1094410372 /nfs/dbraw/zinc/41/03/72/1094410372.db2.gz YBQYJOLCZLPLEU-INIZCTEOSA-N 2 2 330.476 2.264 10 0 EEAELP CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001441128911 1094455334 /nfs/dbraw/zinc/45/53/34/1094455334.db2.gz AGHQSSKHWKOUQE-HZPDHXFCSA-N 2 2 332.492 2.370 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC001441205485 1094568079 /nfs/dbraw/zinc/56/80/79/1094568079.db2.gz JYTUZBKJDXHBCZ-ZDUSSCGKSA-N 2 2 339.430 2.243 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2c(F)cccc2F)C1 ZINC001441205485 1094568085 /nfs/dbraw/zinc/56/80/85/1094568085.db2.gz JYTUZBKJDXHBCZ-ZDUSSCGKSA-N 2 2 339.430 2.243 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001441298082 1094741125 /nfs/dbraw/zinc/74/11/25/1094741125.db2.gz XTKJZZYQVCRVEU-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001441298082 1094741132 /nfs/dbraw/zinc/74/11/32/1094741132.db2.gz XTKJZZYQVCRVEU-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001441428789 1095023638 /nfs/dbraw/zinc/02/36/38/1095023638.db2.gz LFYXMGKKGVKLSS-SHTZXODSSA-N 2 2 347.488 2.174 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001441554661 1095292424 /nfs/dbraw/zinc/29/24/24/1095292424.db2.gz JKHCXPBKGRBWFR-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2coc(C3CC3)n2)C1)[NH+](C)C ZINC001441587877 1095411950 /nfs/dbraw/zinc/41/19/50/1095411950.db2.gz RZPNLWGOGOVHNL-PBHICJAKSA-N 2 2 348.491 2.220 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2coc(C3CC3)n2)C1)[NH+](C)C ZINC001441587877 1095411956 /nfs/dbraw/zinc/41/19/56/1095411956.db2.gz RZPNLWGOGOVHNL-PBHICJAKSA-N 2 2 348.491 2.220 10 0 EEAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1cc(C2CC2)no1 ZINC001441643730 1095566983 /nfs/dbraw/zinc/56/69/83/1095566983.db2.gz HPIADLCDRXAXIQ-GFCCVEGCSA-N 2 2 345.447 2.189 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1[N@H+](Cc1ccccn1)CC2 ZINC001441862215 1095962742 /nfs/dbraw/zinc/96/27/42/1095962742.db2.gz ISIYQKJMOXLDSJ-MJGOQNOKSA-N 2 2 339.443 2.051 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1[N@@H+](Cc1ccccn1)CC2 ZINC001441862215 1095962751 /nfs/dbraw/zinc/96/27/51/1095962751.db2.gz ISIYQKJMOXLDSJ-MJGOQNOKSA-N 2 2 339.443 2.051 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC(C)(C)C1 ZINC001442275543 1096584964 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JYRKHHUBMUUJJO-AWEZNQCLSA-N 2 2 347.463 2.162 10 0 EEAELP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)C[N@@H+](C)C(C)C)cc2)no1 ZINC001444196210 1098748005 /nfs/dbraw/zinc/74/80/05/1098748005.db2.gz GNKUSQBRRWEHCP-UHFFFAOYSA-N 2 2 344.459 2.229 10 0 EEAELP Cc1cc(C[NH2+]Cc2ccc(CNC(=O)C[N@H+](C)C(C)C)cc2)no1 ZINC001444196210 1098748012 /nfs/dbraw/zinc/74/80/12/1098748012.db2.gz GNKUSQBRRWEHCP-UHFFFAOYSA-N 2 2 344.459 2.229 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)s1 ZINC001479964936 1099407903 /nfs/dbraw/zinc/40/79/03/1099407903.db2.gz FPSZLDMYRYACTB-IUODEOHRSA-N 2 2 347.488 2.298 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)s1 ZINC001479964936 1099407906 /nfs/dbraw/zinc/40/79/06/1099407906.db2.gz FPSZLDMYRYACTB-IUODEOHRSA-N 2 2 347.488 2.298 10 0 EEAELP Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)s1 ZINC001480226192 1099846636 /nfs/dbraw/zinc/84/66/36/1099846636.db2.gz NDXDGQUENBEMEP-FPMFFAJLSA-N 2 2 333.461 2.036 10 0 EEAELP 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347.438 2.003 10 0 EEAELP CC(C)OCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001495986776 1101900277 /nfs/dbraw/zinc/90/02/77/1101900277.db2.gz NAKASOJPDBPJLG-UHFFFAOYSA-N 2 2 348.491 2.037 10 0 EEAELP CC[N@@H+]1C[C@H](C)N(C(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@@H]1C ZINC001447083406 1101955346 /nfs/dbraw/zinc/95/53/46/1101955346.db2.gz UZIWHHXTGBEHJI-TXPKVOOTSA-N 2 2 345.487 2.211 10 0 EEAELP CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@@H]1C ZINC001447083406 1101955354 /nfs/dbraw/zinc/95/53/54/1101955354.db2.gz UZIWHHXTGBEHJI-TXPKVOOTSA-N 2 2 345.487 2.211 10 0 EEAELP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C[C@@H]1C ZINC001447083406 1101955363 /nfs/dbraw/zinc/95/53/63/1101955363.db2.gz UZIWHHXTGBEHJI-TXPKVOOTSA-N 2 2 345.487 2.211 10 0 EEAELP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)C[C@@H]1C ZINC001447083406 1101955370 /nfs/dbraw/zinc/95/53/70/1101955370.db2.gz UZIWHHXTGBEHJI-TXPKVOOTSA-N 2 2 345.487 2.211 10 0 EEAELP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001496091184 1102040134 /nfs/dbraw/zinc/04/01/34/1102040134.db2.gz AXSWJVUSDOBXLT-GDBMZVCRSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497218309 1102142372 /nfs/dbraw/zinc/14/23/72/1102142372.db2.gz OZRPFLMBAFNFTR-IAGOWNOFSA-N 2 2 340.471 2.439 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccsc1)C(=O)CCc1c[nH+]cn1C ZINC001447382193 1102568060 /nfs/dbraw/zinc/56/80/60/1102568060.db2.gz ZGISUGXMBQLVQH-UHFFFAOYSA-N 2 2 334.489 2.395 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccsc1)C(=O)CCc1c[nH+]cn1C ZINC001447382193 1102568068 /nfs/dbraw/zinc/56/80/68/1102568068.db2.gz ZGISUGXMBQLVQH-UHFFFAOYSA-N 2 2 334.489 2.395 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]2CCCCCC2)no1 ZINC001497690279 1102909405 /nfs/dbraw/zinc/90/94/05/1102909405.db2.gz FUUKVQZCJNOQEO-OGZRUICASA-N 2 2 334.464 2.010 10 0 EEAELP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001493893195 1103063918 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UDTMWEIFGWHFCC-KBPBESRZSA-N 2 2 335.477 2.111 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCC1CCCC1 ZINC001448043907 1103881729 /nfs/dbraw/zinc/88/17/29/1103881729.db2.gz IZXGLSUXKBSOIV-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCC1CCCC1 ZINC001448043907 1103881738 /nfs/dbraw/zinc/88/17/38/1103881738.db2.gz IZXGLSUXKBSOIV-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001448094206 1103989601 /nfs/dbraw/zinc/98/96/01/1103989601.db2.gz QYMIQNJXBZIQEW-STQMWFEESA-N 2 2 333.436 2.076 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001448094206 1103989610 /nfs/dbraw/zinc/98/96/10/1103989610.db2.gz QYMIQNJXBZIQEW-STQMWFEESA-N 2 2 333.436 2.076 10 0 EEAELP CC/C=C/CC[NH+]1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001494418260 1103999327 /nfs/dbraw/zinc/99/93/27/1103999327.db2.gz HPNUTYHMSTXYCX-ONEGZZNKSA-N 2 2 325.416 2.038 10 0 EEAELP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC1 ZINC001448211039 1104181846 /nfs/dbraw/zinc/18/18/46/1104181846.db2.gz PYGUOLOGASRQTE-AEFFLSMTSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1cc(C[NH2+]CC2(NC(=O)Cc3[nH]c[nH+]c3C)CCCCC2)on1 ZINC001448229005 1104218145 /nfs/dbraw/zinc/21/81/45/1104218145.db2.gz MYZUVCYYZGWPMM-UHFFFAOYSA-N 2 2 345.447 2.166 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001494852120 1104454901 /nfs/dbraw/zinc/45/49/01/1104454901.db2.gz JSIDKBZQNFQCAO-DOMZBBRYSA-N 2 2 340.418 2.166 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001494852120 1104454905 /nfs/dbraw/zinc/45/49/05/1104454905.db2.gz JSIDKBZQNFQCAO-DOMZBBRYSA-N 2 2 340.418 2.166 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001494852120 1104454910 /nfs/dbraw/zinc/45/49/10/1104454910.db2.gz JSIDKBZQNFQCAO-DOMZBBRYSA-N 2 2 340.418 2.166 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001494852120 1104454915 /nfs/dbraw/zinc/45/49/15/1104454915.db2.gz JSIDKBZQNFQCAO-DOMZBBRYSA-N 2 2 340.418 2.166 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]CCC(F)(F)F)c[nH+]1 ZINC001480773809 1107089722 /nfs/dbraw/zinc/08/97/22/1107089722.db2.gz QRVXCIUYUSXJTJ-LLVKDONJSA-N 2 2 334.386 2.363 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001498399315 1107455443 /nfs/dbraw/zinc/45/54/43/1107455443.db2.gz KNTVXMGCWLJKHW-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001498399315 1107455448 /nfs/dbraw/zinc/45/54/48/1107455448.db2.gz KNTVXMGCWLJKHW-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001498399315 1107455455 /nfs/dbraw/zinc/45/54/55/1107455455.db2.gz KNTVXMGCWLJKHW-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP 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Cc1cnc([C@@H](C)[NH+](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC001493404778 1108091019 /nfs/dbraw/zinc/09/10/19/1108091019.db2.gz XAVDEESAALWSBT-IMJJTQAJSA-N 2 2 348.491 2.355 10 0 EEAELP C[C@@H](F)CC[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001493846556 1108729759 /nfs/dbraw/zinc/72/97/59/1108729759.db2.gz IGPCIAPYQYULAF-CABCVRRESA-N 2 2 338.471 2.318 10 0 EEAELP C[C@@H](C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)CN1CCOCC1 ZINC001473747999 1110579889 /nfs/dbraw/zinc/57/98/89/1110579889.db2.gz TYDVOMXMYZSNKW-HKUYNNGSSA-N 2 2 328.460 2.182 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)CCc1[nH+]ccn1C ZINC001499839782 1112506649 /nfs/dbraw/zinc/50/66/49/1112506649.db2.gz LACNYOYRRVRXPM-CVEARBPZSA-N 2 2 338.471 2.462 10 0 EEAELP CCCSCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC)CC1 ZINC001502404677 1113669226 /nfs/dbraw/zinc/66/92/26/1113669226.db2.gz LHGWPUDTEOGDEC-CALCHBBNSA-N 2 2 339.549 2.289 10 0 EEAELP CCCSCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC)CC1 ZINC001502404677 1113669229 /nfs/dbraw/zinc/66/92/29/1113669229.db2.gz LHGWPUDTEOGDEC-CALCHBBNSA-N 2 2 339.549 2.289 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505767673 1114179672 /nfs/dbraw/zinc/17/96/72/1114179672.db2.gz FGWPMOMDINCVOL-DLBZAZTESA-N 2 2 344.459 2.062 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1nsc2ccccc12 ZINC001505768678 1114180197 /nfs/dbraw/zinc/18/01/97/1114180197.db2.gz OYAHCIVGRPFZKC-CHWSQXEVSA-N 2 2 343.456 2.176 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C(Cl)=C/Cl)C(=O)Cn1cc[nH+]c1 ZINC001505850055 1114232556 /nfs/dbraw/zinc/23/25/56/1114232556.db2.gz JOYMLZHNSSHWNI-SDQBBNPISA-N 2 2 333.263 2.276 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506787714 1114882658 /nfs/dbraw/zinc/88/26/58/1114882658.db2.gz APGFYTWGVBDFPY-LEUOFYLZSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506787714 1114882661 /nfs/dbraw/zinc/88/26/61/1114882661.db2.gz APGFYTWGVBDFPY-LEUOFYLZSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001506787714 1114882663 /nfs/dbraw/zinc/88/26/63/1114882663.db2.gz APGFYTWGVBDFPY-LEUOFYLZSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001506787714 1114882667 /nfs/dbraw/zinc/88/26/67/1114882667.db2.gz APGFYTWGVBDFPY-LEUOFYLZSA-N 2 2 332.492 2.319 10 0 EEAELP Cc1ccccc1C[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001506946002 1114994251 /nfs/dbraw/zinc/99/42/51/1114994251.db2.gz IOKSLPSOUMCWJL-MRXNPFEDSA-N 2 2 328.460 2.346 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)Cn1cc[nH+]c1 ZINC001506950886 1114999551 /nfs/dbraw/zinc/99/95/51/1114999551.db2.gz LHLMFXGSYSNKBE-MRXNPFEDSA-N 2 2 340.471 2.447 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2F ZINC001507164679 1115143315 /nfs/dbraw/zinc/14/33/15/1115143315.db2.gz RYVVJBYEEBQJGX-CXAGYDPISA-N 2 2 330.407 2.146 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC001507447009 1115274312 /nfs/dbraw/zinc/27/43/12/1115274312.db2.gz HFIMEROMZRGUGC-CVEARBPZSA-N 2 2 336.480 2.086 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001568203103 1124353520 /nfs/dbraw/zinc/35/35/20/1124353520.db2.gz XFWSZEXDBMHEDD-CQSZACIVSA-N 2 2 348.878 2.201 10 0 EEAELP COCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001568407726 1124476694 /nfs/dbraw/zinc/47/66/94/1124476694.db2.gz UEMJIOCGRCUFRY-LSDHHAIUSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)o1 ZINC001568631731 1124647343 /nfs/dbraw/zinc/64/73/43/1124647343.db2.gz CROJRELNRUZYHR-GFCCVEGCSA-N 2 2 341.415 2.237 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001568660081 1124674691 /nfs/dbraw/zinc/67/46/91/1124674691.db2.gz RNOMQVRTTQYKAU-GFCCVEGCSA-N 2 2 349.504 2.111 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001568874614 1124900329 /nfs/dbraw/zinc/90/03/29/1124900329.db2.gz BWVXMQHUUGRPOR-BGYNLAARSA-N 2 2 338.455 2.469 10 0 EEAELP COc1ccc(Cl)cc1C[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1 ZINC001568974255 1125013498 /nfs/dbraw/zinc/01/34/98/1125013498.db2.gz ZPSPGKGQPUUPCR-NSCUHMNNSA-N 2 2 348.834 2.007 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C)C[NH2+]CCn2cc(Cl)cn2)c(C)[nH+]1 ZINC001569008078 1125036922 /nfs/dbraw/zinc/03/69/22/1125036922.db2.gz BKPKSNLRWKRMEH-CYBMUJFWSA-N 2 2 349.866 2.265 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC001569330701 1125233799 /nfs/dbraw/zinc/23/37/99/1125233799.db2.gz FKJAFFLLCLFFPE-SFHVURJKSA-N 2 2 349.438 2.116 10 0 EEAELP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000163934153 539537505 /nfs/dbraw/zinc/53/75/05/539537505.db2.gz SVPCHDGHLPBOKU-HXUWFJFHSA-N 2 2 331.504 2.353 10 0 EEAELP Cc1ccccc1NC(=O)CC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183781200 235223709 /nfs/dbraw/zinc/22/37/09/235223709.db2.gz WOHRZQRVGHUQRR-UHFFFAOYSA-N 2 2 339.443 2.244 10 0 EEAELP FC(F)(F)c1cccc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422947833 240304226 /nfs/dbraw/zinc/30/42/26/240304226.db2.gz QLXLOPOPQZWORU-HOTGVXAUSA-N 2 2 344.377 2.441 10 0 EEAELP CCCC(=O)Nc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422882055 240273981 /nfs/dbraw/zinc/27/39/81/240273981.db2.gz OWIOHMCHMJICSV-IEBWSBKVSA-N 2 2 331.460 2.282 10 0 EEAELP Clc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1I ZINC000423112720 240371066 /nfs/dbraw/zinc/37/10/66/240371066.db2.gz KCFUVNYZBAMEBJ-SECBINFHSA-N 2 2 336.604 2.396 10 0 EEAELP Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000229570777 242181351 /nfs/dbraw/zinc/18/13/51/242181351.db2.gz NARPTSJSHNLICF-SQGPQFPESA-N 2 2 342.487 2.150 10 0 EEAELP Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000229570777 242181356 /nfs/dbraw/zinc/18/13/56/242181356.db2.gz NARPTSJSHNLICF-SQGPQFPESA-N 2 2 342.487 2.150 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)c2ccnn2C)cc1 ZINC000459710003 245218857 /nfs/dbraw/zinc/21/88/57/245218857.db2.gz KYXVLFBPOYMZDM-DYVFJYSZSA-N 2 2 325.416 2.298 10 0 EEAELP CCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195261763 256008584 /nfs/dbraw/zinc/00/85/84/256008584.db2.gz VVYDAXDAAULOMI-LSDHHAIUSA-N 2 2 338.521 2.120 10 0 EEAELP CCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195261763 256008586 /nfs/dbraw/zinc/00/85/86/256008586.db2.gz VVYDAXDAAULOMI-LSDHHAIUSA-N 2 2 338.521 2.120 10 0 EEAELP CCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195261763 256008589 /nfs/dbraw/zinc/00/85/89/256008589.db2.gz VVYDAXDAAULOMI-LSDHHAIUSA-N 2 2 338.521 2.120 10 0 EEAELP CN1CC[NH+](Cc2cccc(NC(=O)CC3CC[NH+](C)CC3)c2)CC1 ZINC000273259884 256281707 /nfs/dbraw/zinc/28/17/07/256281707.db2.gz SUXMXMHLKDGDIS-UHFFFAOYSA-N 2 2 344.503 2.104 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000273025061 256258387 /nfs/dbraw/zinc/25/83/87/256258387.db2.gz BDAZUCZVUFZSJG-CYBMUJFWSA-N 2 2 345.256 2.441 10 0 EEAELP COCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(Br)c2)C1 ZINC000273025061 256258388 /nfs/dbraw/zinc/25/83/88/256258388.db2.gz BDAZUCZVUFZSJG-CYBMUJFWSA-N 2 2 345.256 2.441 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccnn2C)[C@@H]1c1cnn(C)c1 ZINC000328638550 258024324 /nfs/dbraw/zinc/02/43/24/258024324.db2.gz PDJZPDMDOBFSJX-MAUKXSAKSA-N 2 2 330.480 2.059 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccnn2C)[C@@H]1c1cnn(C)c1 ZINC000328638550 258024325 /nfs/dbraw/zinc/02/43/25/258024325.db2.gz PDJZPDMDOBFSJX-MAUKXSAKSA-N 2 2 330.480 2.059 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccnn2C)[C@@H]1c1cnn(C)c1 ZINC000328638550 258024326 /nfs/dbraw/zinc/02/43/26/258024326.db2.gz PDJZPDMDOBFSJX-MAUKXSAKSA-N 2 2 330.480 2.059 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccnn2C)[C@@H]1c1cnn(C)c1 ZINC000328638550 258024327 /nfs/dbraw/zinc/02/43/27/258024327.db2.gz PDJZPDMDOBFSJX-MAUKXSAKSA-N 2 2 330.480 2.059 10 0 EEAELP CCO[C@H](C)c1noc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000120724721 142396070 /nfs/dbraw/zinc/39/60/70/142396070.db2.gz FQKOZLDRIHCDED-CYBMUJFWSA-N 2 2 333.436 2.355 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1Cl ZINC000262994649 152353846 /nfs/dbraw/zinc/35/38/46/152353846.db2.gz OELABDFJRODCER-OLZOCXBDSA-N 2 2 331.794 2.056 10 0 EEAELP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263031758 152360844 /nfs/dbraw/zinc/36/08/44/152360844.db2.gz SAINRPQQBJGASW-AWEZNQCLSA-N 2 2 343.443 2.074 10 0 EEAELP COc1ccc([C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422946670 286376759 /nfs/dbraw/zinc/37/67/59/286376759.db2.gz XBFGBQAVAGUFPJ-SNRMKQJTSA-N 2 2 326.444 2.359 10 0 EEAELP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374205785 154003368 /nfs/dbraw/zinc/00/33/68/154003368.db2.gz AHWUCTGSOSQMQC-YJBOKZPZSA-N 2 2 348.491 2.301 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCCOC1CCCCC1 ZINC000374211145 154005299 /nfs/dbraw/zinc/00/52/99/154005299.db2.gz YSQXMCYURFSJCG-UHFFFAOYSA-N 2 2 348.491 2.445 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NCC[N@H+]3CCCC[C@@H]3C)cn21 ZINC000069037525 159024857 /nfs/dbraw/zinc/02/48/57/159024857.db2.gz PVVHFVXNOZHGAE-AWEZNQCLSA-N 2 2 329.448 2.316 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NCC[N@@H+]3CCCC[C@@H]3C)cn21 ZINC000069037525 159024858 /nfs/dbraw/zinc/02/48/58/159024858.db2.gz PVVHFVXNOZHGAE-AWEZNQCLSA-N 2 2 329.448 2.316 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192753413 160173040 /nfs/dbraw/zinc/17/30/40/160173040.db2.gz ORHGIUKTNXDCSR-LJQANCHMSA-N 3 2 333.524 2.072 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192753413 160173041 /nfs/dbraw/zinc/17/30/41/160173041.db2.gz ORHGIUKTNXDCSR-LJQANCHMSA-N 3 2 333.524 2.072 10 0 EEAELP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245912077 160256579 /nfs/dbraw/zinc/25/65/79/160256579.db2.gz RJJBYMZJHDOODI-ROUUACIJSA-N 2 2 343.471 2.423 10 0 EEAELP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245912077 160256580 /nfs/dbraw/zinc/25/65/80/160256580.db2.gz RJJBYMZJHDOODI-ROUUACIJSA-N 2 2 343.471 2.423 10 0 EEAELP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000245987058 160260206 /nfs/dbraw/zinc/26/02/06/160260206.db2.gz QEAAGYRQTAMCEK-HOTGVXAUSA-N 2 2 331.464 2.009 10 0 EEAELP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000245987058 160260208 /nfs/dbraw/zinc/26/02/08/160260208.db2.gz QEAAGYRQTAMCEK-HOTGVXAUSA-N 2 2 331.464 2.009 10 0 EEAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246390636 160276674 /nfs/dbraw/zinc/27/66/74/160276674.db2.gz PDUXJNJDERCQOM-LPHOPBHVSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000246390636 160276675 /nfs/dbraw/zinc/27/66/75/160276675.db2.gz PDUXJNJDERCQOM-LPHOPBHVSA-N 2 2 345.487 2.242 10 0 EEAELP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[nH]1 ZINC000246872250 160298862 /nfs/dbraw/zinc/29/88/62/160298862.db2.gz SSYBPEDWXCJGLV-KBXCAEBGSA-N 2 2 330.476 2.165 10 0 EEAELP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)[nH]1 ZINC000246872250 160298863 /nfs/dbraw/zinc/29/88/63/160298863.db2.gz SSYBPEDWXCJGLV-KBXCAEBGSA-N 2 2 330.476 2.165 10 0 EEAELP CN(C)C(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH]1 ZINC000246872250 160298864 /nfs/dbraw/zinc/29/88/64/160298864.db2.gz SSYBPEDWXCJGLV-KBXCAEBGSA-N 2 2 330.476 2.165 10 0 EEAELP CN(C)C(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)[nH]1 ZINC000246872250 160298865 /nfs/dbraw/zinc/29/88/65/160298865.db2.gz SSYBPEDWXCJGLV-KBXCAEBGSA-N 2 2 330.476 2.165 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3C[N@H+](C(C)C)C[C@H]3C)cn21 ZINC000247049443 160307070 /nfs/dbraw/zinc/30/70/70/160307070.db2.gz IGUFJIYCEOVSNO-CJNGLKHVSA-N 2 2 329.448 2.171 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@H]3C)cn21 ZINC000247049443 160307071 /nfs/dbraw/zinc/30/70/71/160307071.db2.gz IGUFJIYCEOVSNO-CJNGLKHVSA-N 2 2 329.448 2.171 10 0 EEAELP CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C[C@H](C)O ZINC000247813666 160332344 /nfs/dbraw/zinc/33/23/44/160332344.db2.gz VPGJREGYWKOAMP-WMZOPIPTSA-N 2 2 328.460 2.149 10 0 EEAELP CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C[C@H](C)O ZINC000247813666 160332345 /nfs/dbraw/zinc/33/23/45/160332345.db2.gz VPGJREGYWKOAMP-WMZOPIPTSA-N 2 2 328.460 2.149 10 0 EEAELP Cc1cccc(OC[C@H](O)C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000342821599 161093459 /nfs/dbraw/zinc/09/34/59/161093459.db2.gz OOVKNYSMCIWFRD-GOSISDBHSA-N 2 2 341.455 2.260 10 0 EEAELP Cc1sccc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000345812561 161334307 /nfs/dbraw/zinc/33/43/07/161334307.db2.gz OGLWOEWIGDWPPZ-JWTNVVGKSA-N 2 2 347.528 2.368 10 0 EEAELP Cc1sccc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000345812561 161334308 /nfs/dbraw/zinc/33/43/08/161334308.db2.gz OGLWOEWIGDWPPZ-JWTNVVGKSA-N 2 2 347.528 2.368 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000355662553 163263046 /nfs/dbraw/zinc/26/30/46/163263046.db2.gz SJJLHGYZHRRCBS-UHFFFAOYSA-N 2 2 329.448 2.364 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCCCO2 ZINC000449398692 287037642 /nfs/dbraw/zinc/03/76/42/287037642.db2.gz VYUUBCNLMAJZIC-NVXWUHKLSA-N 2 2 334.460 2.345 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCCCO2 ZINC000449398692 287037643 /nfs/dbraw/zinc/03/76/43/287037643.db2.gz VYUUBCNLMAJZIC-NVXWUHKLSA-N 2 2 334.460 2.345 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422879363 287040465 /nfs/dbraw/zinc/04/04/65/287040465.db2.gz KHNHKVALXUNXQI-KONPQCLYSA-N 2 2 332.492 2.315 10 0 EEAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000360366722 164293501 /nfs/dbraw/zinc/29/35/01/164293501.db2.gz VFBVAGJPJWSFMO-UHFFFAOYSA-N 2 2 349.519 2.155 10 0 EEAELP c1[nH]c2nccnc2c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000368221588 166072375 /nfs/dbraw/zinc/07/23/75/166072375.db2.gz GRAXQYKRYXYEIW-INIZCTEOSA-N 2 2 336.443 2.306 10 0 EEAELP c1[nH]c2nccnc2c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000368221588 166072376 /nfs/dbraw/zinc/07/23/76/166072376.db2.gz GRAXQYKRYXYEIW-INIZCTEOSA-N 2 2 336.443 2.306 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1[nH+]ccn1C ZINC000370005159 166374581 /nfs/dbraw/zinc/37/45/81/166374581.db2.gz FACXFHPUFXKAEQ-INIZCTEOSA-N 2 2 341.459 2.226 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[N@@H+]1C ZINC000123254303 222244083 /nfs/dbraw/zinc/24/40/83/222244083.db2.gz DKALPXMUALORMW-KBPBESRZSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[N@H+]1C ZINC000123254303 222244087 /nfs/dbraw/zinc/24/40/87/222244087.db2.gz DKALPXMUALORMW-KBPBESRZSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[NH+]1C ZINC000123254303 222244090 /nfs/dbraw/zinc/24/40/90/222244090.db2.gz DKALPXMUALORMW-KBPBESRZSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[NH+]1C ZINC000123254303 222244094 /nfs/dbraw/zinc/24/40/94/222244094.db2.gz DKALPXMUALORMW-KBPBESRZSA-N 2 2 335.496 2.071 10 0 EEAELP O[C@@H]1C[N@H+](Cc2cccc3nonc32)CC[C@H]1[NH+]1CCCCCC1 ZINC000023367192 275054432 /nfs/dbraw/zinc/05/44/32/275054432.db2.gz VMLVOXFPMCYQFI-IAGOWNOFSA-N 2 2 330.432 2.034 10 0 EEAELP O[C@@H]1C[N@@H+](Cc2cccc3nonc32)CC[C@H]1[NH+]1CCCCCC1 ZINC000023367192 275054433 /nfs/dbraw/zinc/05/44/33/275054433.db2.gz VMLVOXFPMCYQFI-IAGOWNOFSA-N 2 2 330.432 2.034 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292206796 275393964 /nfs/dbraw/zinc/39/39/64/275393964.db2.gz SUIXTNCIRNHPAF-FQEVSTJZSA-N 2 2 329.488 2.451 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292206796 275393966 /nfs/dbraw/zinc/39/39/66/275393966.db2.gz SUIXTNCIRNHPAF-FQEVSTJZSA-N 2 2 329.488 2.451 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292206796 275393968 /nfs/dbraw/zinc/39/39/68/275393968.db2.gz SUIXTNCIRNHPAF-FQEVSTJZSA-N 2 2 329.488 2.451 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292206796 275393969 /nfs/dbraw/zinc/39/39/69/275393969.db2.gz SUIXTNCIRNHPAF-FQEVSTJZSA-N 2 2 329.488 2.451 10 0 EEAELP Cc1c(O)ccc2c(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)oc12 ZINC000292239918 275399535 /nfs/dbraw/zinc/39/95/35/275399535.db2.gz WOVWYMVLMNRDJK-LJQANCHMSA-N 2 2 328.412 2.335 10 0 EEAELP Cc1c(O)ccc2c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc(=O)oc12 ZINC000292239918 275399536 /nfs/dbraw/zinc/39/95/36/275399536.db2.gz WOVWYMVLMNRDJK-LJQANCHMSA-N 2 2 328.412 2.335 10 0 EEAELP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422795993 276335208 /nfs/dbraw/zinc/33/52/08/276335208.db2.gz XGKYFUNBEUJBKN-PMACEKPBSA-N 3 2 331.504 2.385 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000343854656 288098057 /nfs/dbraw/zinc/09/80/57/288098057.db2.gz ACAVPHATSGIRLQ-ZTFGCOKTSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000343854656 288098060 /nfs/dbraw/zinc/09/80/60/288098060.db2.gz ACAVPHATSGIRLQ-ZTFGCOKTSA-N 2 2 337.895 2.253 10 0 EEAELP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000252735573 279091198 /nfs/dbraw/zinc/09/11/98/279091198.db2.gz NECPPUUVINVNAF-RDJZCZTQSA-N 2 2 325.403 2.168 10 0 EEAELP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000252735573 279091201 /nfs/dbraw/zinc/09/12/01/279091201.db2.gz NECPPUUVINVNAF-RDJZCZTQSA-N 2 2 325.403 2.168 10 0 EEAELP Cc1ccc2c(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn(C)c2c1 ZINC000423059488 301874500 /nfs/dbraw/zinc/87/45/00/301874500.db2.gz MBVAYTRFNTUDLE-PMACEKPBSA-N 2 2 327.472 2.386 10 0 EEAELP C[C@H]1CCCN(c2cc(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)[nH+]cn2)C1 ZINC000333865092 312207391 /nfs/dbraw/zinc/20/73/91/312207391.db2.gz QVPMOHZXPSUALO-GMBSWORKSA-N 2 2 345.491 2.046 10 0 EEAELP C[C@H]1CCCN(c2cc(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)nc[nH+]2)C1 ZINC000333865092 312207394 /nfs/dbraw/zinc/20/73/94/312207394.db2.gz QVPMOHZXPSUALO-GMBSWORKSA-N 2 2 345.491 2.046 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)cn2)CC1 ZINC000347182613 312273865 /nfs/dbraw/zinc/27/38/65/312273865.db2.gz BOIXCAJUIQZTHA-MJGOQNOKSA-N 3 2 345.535 2.043 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](CC)C[C@H]3C)cn2)CC1 ZINC000347182613 312273867 /nfs/dbraw/zinc/27/38/67/312273867.db2.gz BOIXCAJUIQZTHA-MJGOQNOKSA-N 3 2 345.535 2.043 10 0 EEAELP CN(C)c1[nH+]cc(CN(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000425320186 314381357 /nfs/dbraw/zinc/38/13/57/314381357.db2.gz CEAJRRPUTHVEKP-KRWDZBQOSA-N 2 2 327.476 2.192 10 0 EEAELP CN(C)c1[nH+]cc(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000425320186 314381361 /nfs/dbraw/zinc/38/13/61/314381361.db2.gz CEAJRRPUTHVEKP-KRWDZBQOSA-N 2 2 327.476 2.192 10 0 EEAELP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCn4cc[nH+]c4C3)cccc21 ZINC000517009978 316627751 /nfs/dbraw/zinc/62/77/51/316627751.db2.gz SDHRADLRBUJOGL-CZUORRHYSA-N 2 2 340.427 2.469 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[NH+](C2CCC2)CC1 ZINC000522230927 316960690 /nfs/dbraw/zinc/96/06/90/316960690.db2.gz WBJAVQUSBWOWKV-UHFFFAOYSA-N 2 2 347.850 2.367 10 0 EEAELP Cc1c[nH+]cn1C1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000527009557 317140586 /nfs/dbraw/zinc/14/05/86/317140586.db2.gz GKURTOLGAPDTCP-UHFFFAOYSA-N 2 2 327.432 2.131 10 0 EEAELP CCCN1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1=O ZINC000527065879 317148116 /nfs/dbraw/zinc/14/81/16/317148116.db2.gz VZENEDSOADTORN-UHFFFAOYSA-N 2 2 327.432 2.020 10 0 EEAELP CCCN1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1=O ZINC000527065879 317148119 /nfs/dbraw/zinc/14/81/19/317148119.db2.gz VZENEDSOADTORN-UHFFFAOYSA-N 2 2 327.432 2.020 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000528036156 317307394 /nfs/dbraw/zinc/30/73/94/317307394.db2.gz ONRJBRPJZBGWFB-HOTGVXAUSA-N 2 2 342.443 2.439 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528730657 317464212 /nfs/dbraw/zinc/46/42/12/317464212.db2.gz ZDMITFKONIPQIL-GOSISDBHSA-N 2 2 336.451 2.354 10 0 EEAELP COc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cc1 ZINC000542158251 318122685 /nfs/dbraw/zinc/12/26/85/318122685.db2.gz UOIJTSFNFJHBGQ-WMLDXEAASA-N 2 2 342.443 2.271 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@@H]1CCOC1 ZINC000545949103 318235322 /nfs/dbraw/zinc/23/53/22/318235322.db2.gz LROUGGDQFWAXKT-KBPBESRZSA-N 2 2 328.416 2.372 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@@H]1CCOC1 ZINC000545949103 318235323 /nfs/dbraw/zinc/23/53/23/318235323.db2.gz LROUGGDQFWAXKT-KBPBESRZSA-N 2 2 328.416 2.372 10 0 EEAELP CCn1cc[nH+]c1CNc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000555507335 318592946 /nfs/dbraw/zinc/59/29/46/318592946.db2.gz OHJFHTCXDNYVTO-UHFFFAOYSA-N 2 2 341.459 2.341 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000563596660 319028093 /nfs/dbraw/zinc/02/80/93/319028093.db2.gz WBNJLJBUIUHXQY-UHFFFAOYSA-N 2 2 345.491 2.273 10 0 EEAELP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000563955529 319058946 /nfs/dbraw/zinc/05/89/46/319058946.db2.gz KDJBAACUUYZUGT-JSGCOSHPSA-N 2 2 337.414 2.186 10 0 EEAELP C[C@H]([NH2+]C1CC1)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000563955529 319058949 /nfs/dbraw/zinc/05/89/49/319058949.db2.gz KDJBAACUUYZUGT-JSGCOSHPSA-N 2 2 337.414 2.186 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COCc1ccccc1Cl ZINC000574806208 320058763 /nfs/dbraw/zinc/05/87/63/320058763.db2.gz VTKDPPPCFWETQP-UONOGXRCSA-N 2 2 335.835 2.088 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COCc1ccccc1Cl ZINC000574806208 320058764 /nfs/dbraw/zinc/05/87/64/320058764.db2.gz VTKDPPPCFWETQP-UONOGXRCSA-N 2 2 335.835 2.088 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)c2ccccc2CC[NH3+])c[nH+]1 ZINC000578139494 320296889 /nfs/dbraw/zinc/29/68/89/320296889.db2.gz POAVJDFFNIQGJR-UHFFFAOYSA-N 2 2 326.444 2.359 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2coc3ccc(F)cc23)CC1 ZINC000581885963 324335854 /nfs/dbraw/zinc/33/58/54/324335854.db2.gz OZSSKBVEXFZCIC-UHFFFAOYSA-N 2 2 333.407 2.328 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000583211053 324617857 /nfs/dbraw/zinc/61/78/57/324617857.db2.gz JIFUDVDGAJPHGE-UHFFFAOYSA-N 2 2 347.356 2.030 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000529367717 448843202 /nfs/dbraw/zinc/84/32/02/448843202.db2.gz QDIGPVVQKJPTBQ-HUUCEWRRSA-N 2 2 348.495 2.232 10 0 EEAELP CC[NH+]1CCN([C@@H](C)CNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623858312 450616627 /nfs/dbraw/zinc/61/66/27/450616627.db2.gz IIQHDXOLZXUFME-HNNXBMFYSA-N 2 2 338.459 2.320 10 0 EEAELP Cc1cc(NCCNC(=O)NCC2([NH3+])CCCCC2)nc(C(C)C)[nH+]1 ZINC000627068025 451110658 /nfs/dbraw/zinc/11/06/58/451110658.db2.gz INELMSWETQJVDG-UHFFFAOYSA-N 2 2 348.495 2.281 10 0 EEAELP Nc1ccc(N[C@@H]2CCC[N@H+](Cc3cnc4cnccn34)CC2)c[nH+]1 ZINC000328621466 465075910 /nfs/dbraw/zinc/07/59/10/465075910.db2.gz AMXRWPZJGCCYTC-CQSZACIVSA-N 2 2 337.431 2.173 10 0 EEAELP Nc1ccc(N[C@@H]2CCC[N@@H+](Cc3cnc4cnccn34)CC2)c[nH+]1 ZINC000328621466 465075917 /nfs/dbraw/zinc/07/59/17/465075917.db2.gz AMXRWPZJGCCYTC-CQSZACIVSA-N 2 2 337.431 2.173 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000358400589 465100445 /nfs/dbraw/zinc/10/04/45/465100445.db2.gz MYVGUJUJYXPAJI-ZLDLUXBVSA-N 2 2 341.377 2.350 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000358400589 465100452 /nfs/dbraw/zinc/10/04/52/465100452.db2.gz MYVGUJUJYXPAJI-ZLDLUXBVSA-N 2 2 341.377 2.350 10 0 EEAELP C[NH+](C)CC1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000358562669 465193657 /nfs/dbraw/zinc/19/36/57/465193657.db2.gz ZHKLDFUCXRKUNQ-MRXNPFEDSA-N 2 2 330.476 2.289 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000578864914 468270653 /nfs/dbraw/zinc/27/06/53/468270653.db2.gz YXPXQHJGRRSOHG-WBVHZDCISA-N 2 2 325.403 2.214 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000578864914 468270658 /nfs/dbraw/zinc/27/06/58/468270658.db2.gz YXPXQHJGRRSOHG-WBVHZDCISA-N 2 2 325.403 2.214 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045425953 462585346 /nfs/dbraw/zinc/58/53/46/462585346.db2.gz YYAXVCBFUXAPIW-OAHLLOKOSA-N 2 2 329.448 2.050 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000045425953 462585351 /nfs/dbraw/zinc/58/53/51/462585351.db2.gz YYAXVCBFUXAPIW-OAHLLOKOSA-N 2 2 329.448 2.050 10 0 EEAELP C[C@H]1CCCN(c2cc(NCC3([NH+](C)C)CCOCC3)nc[nH+]2)C1 ZINC000113925383 462616612 /nfs/dbraw/zinc/61/66/12/462616612.db2.gz FFNAVHOWCZPQLB-HNNXBMFYSA-N 2 2 333.480 2.236 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)[C@H](C)C1 ZINC000128413555 462637411 /nfs/dbraw/zinc/63/74/11/462637411.db2.gz RCALODMTRGXFPB-HZPDHXFCSA-N 2 2 333.480 2.255 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCNc2cccc[nH+]2)[C@H](C)C1 ZINC000128413555 462637421 /nfs/dbraw/zinc/63/74/21/462637421.db2.gz RCALODMTRGXFPB-HZPDHXFCSA-N 2 2 333.480 2.255 10 0 EEAELP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000066179563 462860486 /nfs/dbraw/zinc/86/04/86/462860486.db2.gz SHJYRUZVQNMSDT-HNNXBMFYSA-N 2 2 333.480 2.080 10 0 EEAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000066179563 462860492 /nfs/dbraw/zinc/86/04/92/462860492.db2.gz SHJYRUZVQNMSDT-HNNXBMFYSA-N 2 2 333.480 2.080 10 0 EEAELP Cc1nn(C)c(C)c1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000092175280 462930287 /nfs/dbraw/zinc/93/02/87/462930287.db2.gz UGJKMZWYVMRNIR-FQEVSTJZSA-N 2 2 341.503 2.115 10 0 EEAELP CCOc1ccccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134170347 463011741 /nfs/dbraw/zinc/01/17/41/463011741.db2.gz QBPBTNBOLMUAGA-UHFFFAOYSA-N 2 2 341.459 2.264 10 0 EEAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H](C)C1 ZINC000156970781 463086394 /nfs/dbraw/zinc/08/63/94/463086394.db2.gz FYBCZYVWQDKUGU-RDJZCZTQSA-N 2 2 345.491 2.210 10 0 EEAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[C@@H](C)C1 ZINC000156970781 463086399 /nfs/dbraw/zinc/08/63/99/463086399.db2.gz FYBCZYVWQDKUGU-RDJZCZTQSA-N 2 2 345.491 2.210 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000157058594 463093928 /nfs/dbraw/zinc/09/39/28/463093928.db2.gz ZNFOFCOTVXFJJV-MRXNPFEDSA-N 2 2 333.480 2.303 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000157058594 463093933 /nfs/dbraw/zinc/09/39/33/463093933.db2.gz ZNFOFCOTVXFJJV-MRXNPFEDSA-N 2 2 333.480 2.303 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535926239 468337613 /nfs/dbraw/zinc/33/76/13/468337613.db2.gz GGVFHDWNTVBFNM-XHSDSOJGSA-N 2 2 333.480 2.182 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535926239 468337619 /nfs/dbraw/zinc/33/76/19/468337619.db2.gz GGVFHDWNTVBFNM-XHSDSOJGSA-N 2 2 333.480 2.182 10 0 EEAELP O=C1CCCN1CCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000096013553 463141018 /nfs/dbraw/zinc/14/10/18/463141018.db2.gz PYSUKEGOUGQTGG-KRWDZBQOSA-N 2 2 330.407 2.366 10 0 EEAELP O=C1CCCN1CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000096013552 463141105 /nfs/dbraw/zinc/14/11/05/463141105.db2.gz PYSUKEGOUGQTGG-QGZVFWFLSA-N 2 2 330.407 2.366 10 0 EEAELP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000136310005 463233347 /nfs/dbraw/zinc/23/33/47/463233347.db2.gz NLVUQLHEPVVRIF-UHFFFAOYSA-N 2 2 339.443 2.150 10 0 EEAELP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCC(c2ccccc2)=N1 ZINC000136310005 463233357 /nfs/dbraw/zinc/23/33/57/463233357.db2.gz NLVUQLHEPVVRIF-UHFFFAOYSA-N 2 2 339.443 2.150 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123448823 463342916 /nfs/dbraw/zinc/34/29/16/463342916.db2.gz OGMCPIHLBFEJJA-PBHICJAKSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123448823 463342922 /nfs/dbraw/zinc/34/29/22/463342922.db2.gz OGMCPIHLBFEJJA-PBHICJAKSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123448823 463342926 /nfs/dbraw/zinc/34/29/26/463342926.db2.gz OGMCPIHLBFEJJA-PBHICJAKSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123448823 463342931 /nfs/dbraw/zinc/34/29/31/463342931.db2.gz OGMCPIHLBFEJJA-PBHICJAKSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(F)(F)F ZINC000080665007 463343628 /nfs/dbraw/zinc/34/36/28/463343628.db2.gz DXBDWLCMXKRTLS-CYBMUJFWSA-N 2 2 335.414 2.251 10 0 EEAELP C[C@@H]1C[C@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1=O ZINC000536537621 468355645 /nfs/dbraw/zinc/35/56/45/468355645.db2.gz BAUZCKBZFZNSHH-IAGOWNOFSA-N 2 2 349.519 2.058 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000553342171 468361672 /nfs/dbraw/zinc/36/16/72/468361672.db2.gz MXTHZTFMYUEIPE-INIZCTEOSA-N 2 2 330.476 2.420 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000553342171 468361674 /nfs/dbraw/zinc/36/16/74/468361674.db2.gz MXTHZTFMYUEIPE-INIZCTEOSA-N 2 2 330.476 2.420 10 0 EEAELP c1cn(-c2ccc(C[NH2+]C[C@H]3CCCN3c3cccnn3)cc2)c[nH+]1 ZINC000072276740 463493238 /nfs/dbraw/zinc/49/32/38/463493238.db2.gz PEPNCLRZFDOFPM-GOSISDBHSA-N 2 2 334.427 2.421 10 0 EEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000106904497 463548638 /nfs/dbraw/zinc/54/86/38/463548638.db2.gz IFMCXRAGOJQYPQ-SFHVURJKSA-N 2 2 349.438 2.056 10 0 EEAELP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000072860160 463554972 /nfs/dbraw/zinc/55/49/72/463554972.db2.gz WILJDYSPPCRWOR-VQIMIIECSA-N 2 2 329.488 2.454 10 0 EEAELP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000072860160 463554977 /nfs/dbraw/zinc/55/49/77/463554977.db2.gz WILJDYSPPCRWOR-VQIMIIECSA-N 2 2 329.488 2.454 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000072860160 463554979 /nfs/dbraw/zinc/55/49/79/463554979.db2.gz WILJDYSPPCRWOR-VQIMIIECSA-N 2 2 329.488 2.454 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000072860160 463554986 /nfs/dbraw/zinc/55/49/86/463554986.db2.gz WILJDYSPPCRWOR-VQIMIIECSA-N 2 2 329.488 2.454 10 0 EEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000193692431 463728572 /nfs/dbraw/zinc/72/85/72/463728572.db2.gz GLOSWPPBWLEJGF-LSDHHAIUSA-N 2 2 349.475 2.495 10 0 EEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cc(OC)ccc2OC)C1 ZINC000193692431 463728576 /nfs/dbraw/zinc/72/85/76/463728576.db2.gz GLOSWPPBWLEJGF-LSDHHAIUSA-N 2 2 349.475 2.495 10 0 EEAELP C[N@H+](CC(=O)Nc1ccccc1Br)C[C@@]1(C)CC[NH2+]C1 ZINC000262117365 463950261 /nfs/dbraw/zinc/95/02/61/463950261.db2.gz WZGMRHTVOLWXQA-HNNXBMFYSA-N 2 2 340.265 2.319 10 0 EEAELP C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@@]1(C)CC[NH2+]C1 ZINC000262117365 463950265 /nfs/dbraw/zinc/95/02/65/463950265.db2.gz WZGMRHTVOLWXQA-HNNXBMFYSA-N 2 2 340.265 2.319 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC000178748024 463961615 /nfs/dbraw/zinc/96/16/15/463961615.db2.gz CLHGQMYNLHVUGO-ZDUSSCGKSA-N 2 2 333.823 2.343 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccnc1Cl ZINC000178748024 463961622 /nfs/dbraw/zinc/96/16/22/463961622.db2.gz CLHGQMYNLHVUGO-ZDUSSCGKSA-N 2 2 333.823 2.343 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000284020095 464071890 /nfs/dbraw/zinc/07/18/90/464071890.db2.gz NPGXQNVYILUUBH-QXCFHYIPSA-N 2 2 334.504 2.397 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000284020095 464071893 /nfs/dbraw/zinc/07/18/93/464071893.db2.gz NPGXQNVYILUUBH-QXCFHYIPSA-N 2 2 334.504 2.397 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000179434838 464134942 /nfs/dbraw/zinc/13/49/42/464134942.db2.gz QBUKHZYMTFKUNI-HOTGVXAUSA-N 2 2 347.434 2.254 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000179434838 464134948 /nfs/dbraw/zinc/13/49/48/464134948.db2.gz QBUKHZYMTFKUNI-HOTGVXAUSA-N 2 2 347.434 2.254 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC(C)(C)OC2(C)C)nc[nH+]1 ZINC000180569544 464338508 /nfs/dbraw/zinc/33/85/08/464338508.db2.gz XNDWRHGLNFDUMI-ZIAGYGMSSA-N 2 2 333.480 2.423 10 0 EEAELP CCC[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000245681280 464504524 /nfs/dbraw/zinc/50/45/24/464504524.db2.gz MPODFFIXCNCXSR-YQQAZPJKSA-N 2 2 348.491 2.042 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265531490 464593788 /nfs/dbraw/zinc/59/37/88/464593788.db2.gz VDSZFPRRMRXOKS-ZDUSSCGKSA-N 2 2 330.407 2.433 10 0 EEAELP C[N@H+](C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000248148670 464733573 /nfs/dbraw/zinc/73/35/73/464733573.db2.gz SPLUHSQEJSMWEN-RBUKOAKNSA-N 2 2 345.487 2.049 10 0 EEAELP C[N@@H+](C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000248148670 464733580 /nfs/dbraw/zinc/73/35/80/464733580.db2.gz SPLUHSQEJSMWEN-RBUKOAKNSA-N 2 2 345.487 2.049 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(C)n(C)n3)cn2)CC1 ZINC000337390698 465343020 /nfs/dbraw/zinc/34/30/20/465343020.db2.gz KZEIJSMXRJPDEU-MRXNPFEDSA-N 2 2 342.491 2.116 10 0 EEAELP CC(C)[N@H+](C)CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337633003 465483506 /nfs/dbraw/zinc/48/35/06/465483506.db2.gz AQLNZBGMPBXCAT-MRXNPFEDSA-N 2 2 347.507 2.449 10 0 EEAELP CC(C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337633003 465483510 /nfs/dbraw/zinc/48/35/10/465483510.db2.gz AQLNZBGMPBXCAT-MRXNPFEDSA-N 2 2 347.507 2.449 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366484742 465758855 /nfs/dbraw/zinc/75/88/55/465758855.db2.gz UPIQIGFAEACJIJ-ZCQORQLVSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366484742 465758860 /nfs/dbraw/zinc/75/88/60/465758860.db2.gz UPIQIGFAEACJIJ-ZCQORQLVSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366484742 465758862 /nfs/dbraw/zinc/75/88/62/465758862.db2.gz UPIQIGFAEACJIJ-ZCQORQLVSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366484742 465758867 /nfs/dbraw/zinc/75/88/67/465758867.db2.gz UPIQIGFAEACJIJ-ZCQORQLVSA-N 2 2 345.531 2.488 10 0 EEAELP CC(=O)NC1CCC([NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000348751607 465770135 /nfs/dbraw/zinc/77/01/35/465770135.db2.gz FHQBWJJXSMXXGY-UHFFFAOYSA-N 2 2 330.476 2.083 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000346171084 465959456 /nfs/dbraw/zinc/95/94/56/465959456.db2.gz NVTDIDLGAMEPIQ-APWZRJJASA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000346171084 465959473 /nfs/dbraw/zinc/95/94/73/465959473.db2.gz NVTDIDLGAMEPIQ-APWZRJJASA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000346171084 465959476 /nfs/dbraw/zinc/95/94/76/465959476.db2.gz NVTDIDLGAMEPIQ-APWZRJJASA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000346171084 465959480 /nfs/dbraw/zinc/95/94/80/465959480.db2.gz NVTDIDLGAMEPIQ-APWZRJJASA-N 3 2 325.460 2.492 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000361674544 466193805 /nfs/dbraw/zinc/19/38/05/466193805.db2.gz GAKDHARDKRJBIC-QILLFSRXSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000361674544 466193813 /nfs/dbraw/zinc/19/38/13/466193813.db2.gz GAKDHARDKRJBIC-QILLFSRXSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000361674544 466193822 /nfs/dbraw/zinc/19/38/22/466193822.db2.gz GAKDHARDKRJBIC-QILLFSRXSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000361674544 466193828 /nfs/dbraw/zinc/19/38/28/466193828.db2.gz GAKDHARDKRJBIC-QILLFSRXSA-N 2 2 333.451 2.419 10 0 EEAELP c1ccc(N2CCC(Nc3cc[nH+]c(N4CCCCC4)n3)CC2)[nH+]c1 ZINC000354072704 466336975 /nfs/dbraw/zinc/33/69/75/466336975.db2.gz RZITWOZOQAJBAF-UHFFFAOYSA-N 2 2 338.459 2.943 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@H]2CCC[C@H]21 ZINC000367538614 466401063 /nfs/dbraw/zinc/40/10/63/466401063.db2.gz QXOHPSVLSUJAQU-QHAWAJNXSA-N 3 2 343.515 2.481 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000367548108 466407046 /nfs/dbraw/zinc/40/70/46/466407046.db2.gz DCZAGTYDBIVWFJ-DZFGPLHGSA-N 2 2 339.483 2.485 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000367548108 466407051 /nfs/dbraw/zinc/40/70/51/466407051.db2.gz DCZAGTYDBIVWFJ-DZFGPLHGSA-N 2 2 339.483 2.485 10 0 EEAELP Cn1c[nH+]cc1C[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000367548870 466407508 /nfs/dbraw/zinc/40/75/08/466407508.db2.gz FQIOZPRYOBKGBQ-CYBMUJFWSA-N 2 2 326.322 2.487 10 0 EEAELP Cn1c[nH+]cc1C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000367548870 466407511 /nfs/dbraw/zinc/40/75/11/466407511.db2.gz FQIOZPRYOBKGBQ-CYBMUJFWSA-N 2 2 326.322 2.487 10 0 EEAELP CSc1ccc([C@H](CNc2nc(C)[nH+]c(N(C)C)n2)[NH+](C)C)cc1 ZINC000338829158 466408956 /nfs/dbraw/zinc/40/89/56/466408956.db2.gz CEIFPQYLOSBXAY-HNNXBMFYSA-N 2 2 346.504 2.683 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000341124755 466601871 /nfs/dbraw/zinc/60/18/71/466601871.db2.gz JTELTZFMEQTKIM-SFHVURJKSA-N 2 2 326.444 2.399 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000341124755 466601878 /nfs/dbraw/zinc/60/18/78/466601878.db2.gz JTELTZFMEQTKIM-SFHVURJKSA-N 2 2 326.444 2.399 10 0 EEAELP c1[nH+]c([C@H]2CCC[N@H+](CCCN3CCOCC3)C2)n2c1CCCC2 ZINC000368514305 466655469 /nfs/dbraw/zinc/65/54/69/466655469.db2.gz MPPSNJFPBKMFAE-KRWDZBQOSA-N 2 2 332.492 2.121 10 0 EEAELP C[C@H]([NH2+]Cc1cccc(-c2[nH+]ccn2C)c1)C1CCS(=O)(=O)CC1 ZINC000363950599 466665820 /nfs/dbraw/zinc/66/58/20/466665820.db2.gz ICJXJGDNSYMMLR-AWEZNQCLSA-N 2 2 347.484 2.390 10 0 EEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951310 466688288 /nfs/dbraw/zinc/68/82/88/466688288.db2.gz XYFFTCBGVRCDKW-GUYCJALGSA-N 2 2 333.407 2.380 10 0 EEAELP COCC[NH2+]CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423320704 466718629 /nfs/dbraw/zinc/71/86/29/466718629.db2.gz DQXWIZKMSYAJAA-ZDUSSCGKSA-N 2 2 327.266 2.132 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC(C)(C)C1 ZINC000412044806 466979396 /nfs/dbraw/zinc/97/93/96/466979396.db2.gz YIOCVGZVBXFGJP-UHFFFAOYSA-N 2 2 333.476 2.434 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C1CC(C)(C)C1 ZINC000412044806 466979401 /nfs/dbraw/zinc/97/94/01/466979401.db2.gz YIOCVGZVBXFGJP-UHFFFAOYSA-N 2 2 333.476 2.434 10 0 EEAELP [NH3+]CCC[C@@H](NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000418239440 467082280 /nfs/dbraw/zinc/08/22/80/467082280.db2.gz OWENHBQHORHSTG-LSDHHAIUSA-N 2 2 327.432 2.046 10 0 EEAELP [NH3+]CCC[C@@H](NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000418239440 467082283 /nfs/dbraw/zinc/08/22/83/467082283.db2.gz OWENHBQHORHSTG-LSDHHAIUSA-N 2 2 327.432 2.046 10 0 EEAELP C[C@@H](NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000418720528 467150314 /nfs/dbraw/zinc/15/03/14/467150314.db2.gz JZCOSUOIOLHWET-UONOGXRCSA-N 2 2 349.866 2.484 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371708 467382535 /nfs/dbraw/zinc/38/25/35/467382535.db2.gz LVVUPFDXABOPCI-JXFKEZNVSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371708 467382538 /nfs/dbraw/zinc/38/25/38/467382538.db2.gz LVVUPFDXABOPCI-JXFKEZNVSA-N 2 2 327.472 2.430 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420410597 467399560 /nfs/dbraw/zinc/39/95/60/467399560.db2.gz YASRGHYAPZTXTN-SJLPKXTDSA-N 2 2 336.501 2.314 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420410597 467399563 /nfs/dbraw/zinc/39/95/63/467399563.db2.gz YASRGHYAPZTXTN-SJLPKXTDSA-N 2 2 336.501 2.314 10 0 EEAELP COC[C@@]1(C[NH2+]Cc2ccc(Br)cc2OC)CCC[NH2+]1 ZINC000414946780 467456705 /nfs/dbraw/zinc/45/67/05/467456705.db2.gz SWTFYQDVIWZTBW-HNNXBMFYSA-N 2 2 343.265 2.316 10 0 EEAELP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000415006522 467466205 /nfs/dbraw/zinc/46/62/05/467466205.db2.gz KLUJRXKJKFVGGC-UWVGGRQHSA-N 2 2 329.238 2.436 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@H](NC[C@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088989 467486970 /nfs/dbraw/zinc/48/69/70/467486970.db2.gz WASTZGNBQDIHTN-SJORKVTESA-N 2 2 335.492 2.241 10 0 EEAELP COc1cc(C[N@H+]2CC[C@H](NC[C@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088989 467486974 /nfs/dbraw/zinc/48/69/74/467486974.db2.gz WASTZGNBQDIHTN-SJORKVTESA-N 2 2 335.492 2.241 10 0 EEAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000415093360 467488584 /nfs/dbraw/zinc/48/85/84/467488584.db2.gz HZPIMCDDKSVUOV-MFKMUULPSA-N 2 2 331.229 2.097 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449022941 467612858 /nfs/dbraw/zinc/61/28/58/467612858.db2.gz LZZDGWGYAHHVHA-QGZVFWFLSA-N 2 2 328.460 2.430 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449022941 467612859 /nfs/dbraw/zinc/61/28/59/467612859.db2.gz LZZDGWGYAHHVHA-QGZVFWFLSA-N 2 2 328.460 2.430 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)c2cnn(C)c2)CC1 ZINC000449199929 467623297 /nfs/dbraw/zinc/62/32/97/467623297.db2.gz BHOCAOFCDFJREM-UZLBHIALSA-N 2 2 342.487 2.139 10 0 EEAELP CC1=CC[N@H+](CC[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449243371 467625380 /nfs/dbraw/zinc/62/53/80/467625380.db2.gz KJIJWZAKTUKBNR-INIZCTEOSA-N 2 2 336.501 2.435 10 0 EEAELP CC1=CC[N@@H+](CC[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449243371 467625381 /nfs/dbraw/zinc/62/53/81/467625381.db2.gz KJIJWZAKTUKBNR-INIZCTEOSA-N 2 2 336.501 2.435 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(-c2cccs2)n1 ZINC000449394304 467636902 /nfs/dbraw/zinc/63/69/02/467636902.db2.gz NPVHNALYJUPPKZ-OAHLLOKOSA-N 2 2 334.489 2.085 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(-c2cccs2)n1 ZINC000449394304 467636903 /nfs/dbraw/zinc/63/69/03/467636903.db2.gz NPVHNALYJUPPKZ-OAHLLOKOSA-N 2 2 334.489 2.085 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000449396533 467638328 /nfs/dbraw/zinc/63/83/28/467638328.db2.gz SEMTYRKQCLFGJC-AZUAARDMSA-N 2 2 348.487 2.181 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000449396533 467638330 /nfs/dbraw/zinc/63/83/30/467638330.db2.gz SEMTYRKQCLFGJC-AZUAARDMSA-N 2 2 348.487 2.181 10 0 EEAELP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449398973 467639308 /nfs/dbraw/zinc/63/93/08/467639308.db2.gz ZGTJKFZWJVHUKI-SFHVURJKSA-N 2 2 328.460 2.322 10 0 EEAELP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000449398973 467639312 /nfs/dbraw/zinc/63/93/12/467639312.db2.gz ZGTJKFZWJVHUKI-SFHVURJKSA-N 2 2 328.460 2.322 10 0 EEAELP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000449398972 467639979 /nfs/dbraw/zinc/63/99/79/467639979.db2.gz ZGTJKFZWJVHUKI-GOSISDBHSA-N 2 2 328.460 2.322 10 0 EEAELP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000449398972 467639982 /nfs/dbraw/zinc/63/99/82/467639982.db2.gz ZGTJKFZWJVHUKI-GOSISDBHSA-N 2 2 328.460 2.322 10 0 EEAELP C[NH+](C)CC(C)(C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000457780555 467703126 /nfs/dbraw/zinc/70/31/26/467703126.db2.gz WOAHTYQZPCXVHV-UHFFFAOYSA-N 2 2 329.448 2.071 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@H](c1ccccc1)N1CCOCC1 ZINC000530217335 467964246 /nfs/dbraw/zinc/96/42/46/467964246.db2.gz GBAIHBDLWMYQQD-QXAKKESOSA-N 2 2 329.488 2.323 10 0 EEAELP O=C(c1cnn(-c2cc[nH+]cc2)c1C(F)F)N1CC[NH+](C2CC2)CC1 ZINC000516523258 468031339 /nfs/dbraw/zinc/03/13/39/468031339.db2.gz LAABWKSLHOVTHJ-UHFFFAOYSA-N 2 2 347.369 2.125 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000531378620 468048304 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DPRYNHHCALSQMB-SFHVURJKSA-N 2 2 340.471 2.335 10 0 EEAELP Cc1ccccc1-n1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000648010473 471048381 /nfs/dbraw/zinc/04/83/81/471048381.db2.gz DPRYNHHCALSQMB-SFHVURJKSA-N 2 2 340.471 2.335 10 0 EEAELP OCC1CCN(c2[nH+]cccc2NCc2c[nH+]c3n2CCC3)CC1 ZINC000657416310 471131221 /nfs/dbraw/zinc/13/12/21/471131221.db2.gz NNPFPQFRAVBWRV-UHFFFAOYSA-N 2 2 327.432 2.045 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000645205345 471174914 /nfs/dbraw/zinc/17/49/14/471174914.db2.gz UWZALQQIGOXAGK-YQQAZPJKSA-N 2 2 334.508 2.033 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000645234454 471186659 /nfs/dbraw/zinc/18/66/59/471186659.db2.gz SIOQQBCONOPZDG-ZGUYJTEBSA-N 2 2 348.535 2.280 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000645234454 471186671 /nfs/dbraw/zinc/18/66/71/471186671.db2.gz SIOQQBCONOPZDG-ZGUYJTEBSA-N 2 2 348.535 2.280 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351999 471276980 /nfs/dbraw/zinc/27/69/80/471276980.db2.gz SYBWEQZXNGAAAJ-ZFWWWQNUSA-N 2 2 335.414 2.094 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351999 471276983 /nfs/dbraw/zinc/27/69/83/471276983.db2.gz SYBWEQZXNGAAAJ-ZFWWWQNUSA-N 2 2 335.414 2.094 10 0 EEAELP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341961 471290423 /nfs/dbraw/zinc/29/04/23/471290423.db2.gz LDYHZWRPJRDNHZ-VQIMIIECSA-N 2 2 339.487 2.252 10 0 EEAELP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341961 471290424 /nfs/dbraw/zinc/29/04/24/471290424.db2.gz LDYHZWRPJRDNHZ-VQIMIIECSA-N 2 2 339.487 2.252 10 0 EEAELP C[C@H]1CCCCN1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000655545119 471374659 /nfs/dbraw/zinc/37/46/59/471374659.db2.gz ZLULGGKYFBXURX-XNHLSEOASA-N 2 2 334.508 2.224 10 0 EEAELP C[C@H]1CCCCN1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000655545119 471374664 /nfs/dbraw/zinc/37/46/64/471374664.db2.gz ZLULGGKYFBXURX-XNHLSEOASA-N 2 2 334.508 2.224 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663445640 471380447 /nfs/dbraw/zinc/38/04/47/471380447.db2.gz AYQTVTLCTJCDTM-MRXNPFEDSA-N 2 2 334.508 2.493 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663445640 471380452 /nfs/dbraw/zinc/38/04/52/471380452.db2.gz AYQTVTLCTJCDTM-MRXNPFEDSA-N 2 2 334.508 2.493 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000663538984 471416700 /nfs/dbraw/zinc/41/67/00/471416700.db2.gz MYIHZXOXPAGWLB-MRXNPFEDSA-N 2 2 338.521 2.382 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](c1cccs1)C1CC1 ZINC000663538984 471416705 /nfs/dbraw/zinc/41/67/05/471416705.db2.gz MYIHZXOXPAGWLB-MRXNPFEDSA-N 2 2 338.521 2.382 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2cc[nH+]c(C)c2)cc1 ZINC000659005943 471464056 /nfs/dbraw/zinc/46/40/56/471464056.db2.gz XUKRIROAJVRWIA-ROUUACIJSA-N 2 2 340.427 2.088 10 0 EEAELP FC1(F)Oc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2O1 ZINC000655779244 471479518 /nfs/dbraw/zinc/47/95/18/471479518.db2.gz GSUHDSUOTUHSAC-AWEZNQCLSA-N 2 2 340.370 2.351 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000653106137 471488652 /nfs/dbraw/zinc/48/86/52/471488652.db2.gz VIHDWTVKUIMHRF-OAHLLOKOSA-N 2 2 337.427 2.447 10 0 EEAELP CCc1[nH+]c2cc(CNC(=O)[C@@H]([NH3+])COC(C)C)ccc2n1C1CC1 ZINC000659313490 471577520 /nfs/dbraw/zinc/57/75/20/471577520.db2.gz BPECARVVWIACLW-HNNXBMFYSA-N 2 2 344.459 2.302 10 0 EEAELP COCC(COC)[NH+]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000664010924 471608147 /nfs/dbraw/zinc/60/81/47/471608147.db2.gz USRAFWBURXXTCA-UHFFFAOYSA-N 2 2 347.381 2.192 10 0 EEAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)NCC12CC(C1)C[NH2+]2 ZINC000659432796 471623967 /nfs/dbraw/zinc/62/39/67/471623967.db2.gz OSBZERFXMBMSGC-UHFFFAOYSA-N 2 2 343.475 2.013 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659436247 471626652 /nfs/dbraw/zinc/62/66/52/471626652.db2.gz JRCOAYXXZSPPQN-QGZVFWFLSA-N 2 2 345.491 2.305 10 0 EEAELP c1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)n(-c2cc[nH+]cc2)n1 ZINC000667601835 471838279 /nfs/dbraw/zinc/83/82/79/471838279.db2.gz LBRNAYHUPZEWOV-OAHLLOKOSA-N 2 2 349.442 2.185 10 0 EEAELP CC[N@H+](CCNC(=O)N[C@@H](C)c1[nH+]ccn1C)CCC(F)(F)F ZINC000664747495 471851703 /nfs/dbraw/zinc/85/17/03/471851703.db2.gz OKZDRVQCQHEJDL-NSHDSACASA-N 2 2 335.374 2.055 10 0 EEAELP CC[N@@H+](CCNC(=O)N[C@@H](C)c1[nH+]ccn1C)CCC(F)(F)F ZINC000664747495 471851707 /nfs/dbraw/zinc/85/17/07/471851707.db2.gz OKZDRVQCQHEJDL-NSHDSACASA-N 2 2 335.374 2.055 10 0 EEAELP O=C([C@H]1CC12CC[NH+](Cc1c[nH+]c3n1CCC3)CC2)N1CCCCC1 ZINC000667952812 471960651 /nfs/dbraw/zinc/96/06/51/471960651.db2.gz HZELQIJQSYIQTR-QGZVFWFLSA-N 2 2 342.487 2.444 10 0 EEAELP CCC(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000665256854 471982609 /nfs/dbraw/zinc/98/26/09/471982609.db2.gz PWBINAOBIXVNTI-RTBURBONSA-N 2 2 345.487 2.131 10 0 EEAELP CCN(C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662314732 472066376 /nfs/dbraw/zinc/06/63/76/472066376.db2.gz BMQNYXRKJWRZOM-GOSISDBHSA-N 2 2 339.524 2.210 10 0 EEAELP CCN(C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662314732 472066382 /nfs/dbraw/zinc/06/63/82/472066382.db2.gz BMQNYXRKJWRZOM-GOSISDBHSA-N 2 2 339.524 2.210 10 0 EEAELP COC[C@@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000674466771 485736665 /nfs/dbraw/zinc/73/66/65/485736665.db2.gz NQQXFOSYTHVQSF-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP COC[C@@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000674466771 485736671 /nfs/dbraw/zinc/73/66/71/485736671.db2.gz NQQXFOSYTHVQSF-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP CO[C@H]1C[N@H+](CCOc2ccc(Br)cc2)[C@@](C)(C[NH3+])C1 ZINC000630360742 485752063 /nfs/dbraw/zinc/75/20/63/485752063.db2.gz KKSAYTNTTNRYEC-HUUCEWRRSA-N 2 2 343.265 2.266 10 0 EEAELP CO[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)[C@@](C)(C[NH3+])C1 ZINC000630360742 485752069 /nfs/dbraw/zinc/75/20/69/485752069.db2.gz KKSAYTNTTNRYEC-HUUCEWRRSA-N 2 2 343.265 2.266 10 0 EEAELP C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)c1ccccc1 ZINC000671245750 485787710 /nfs/dbraw/zinc/78/77/10/485787710.db2.gz IVBPXVNZYXEAOE-UHFFFAOYSA-N 2 2 347.503 2.081 10 0 EEAELP C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C(C)(C)c1ccccc1 ZINC000671245750 485787714 /nfs/dbraw/zinc/78/77/14/485787714.db2.gz IVBPXVNZYXEAOE-UHFFFAOYSA-N 2 2 347.503 2.081 10 0 EEAELP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000685446869 486122370 /nfs/dbraw/zinc/12/23/70/486122370.db2.gz VDOVIAJQGJFEGQ-HNNXBMFYSA-N 2 2 328.403 2.483 10 0 EEAELP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000685446869 486122375 /nfs/dbraw/zinc/12/23/75/486122375.db2.gz VDOVIAJQGJFEGQ-HNNXBMFYSA-N 2 2 328.403 2.483 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000682220418 486438319 /nfs/dbraw/zinc/43/83/19/486438319.db2.gz FPQIDGJRXWBWFK-UXHICEINSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000682220418 486438322 /nfs/dbraw/zinc/43/83/22/486438322.db2.gz FPQIDGJRXWBWFK-UXHICEINSA-N 2 2 332.488 2.370 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000174775473 527831355 /nfs/dbraw/zinc/83/13/55/527831355.db2.gz IWFPDPBTHRZSRS-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000174775473 527831359 /nfs/dbraw/zinc/83/13/59/527831359.db2.gz IWFPDPBTHRZSRS-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000174775473 527831364 /nfs/dbraw/zinc/83/13/64/527831364.db2.gz IWFPDPBTHRZSRS-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000174775473 527831366 /nfs/dbraw/zinc/83/13/66/527831366.db2.gz IWFPDPBTHRZSRS-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000179463614 527966607 /nfs/dbraw/zinc/96/66/07/527966607.db2.gz BSJPXLZOVVVWHL-CYBMUJFWSA-N 2 2 332.370 2.006 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000179463614 527966611 /nfs/dbraw/zinc/96/66/11/527966611.db2.gz BSJPXLZOVVVWHL-CYBMUJFWSA-N 2 2 332.370 2.006 10 0 EEAELP COc1ccc([C@H]([NH2+][C@@H](C)CN2CCCC2=O)[C@H]2CCC[NH2+]2)cc1 ZINC000422758046 536931196 /nfs/dbraw/zinc/93/11/96/536931196.db2.gz JZIPWNPAYPKNED-YJLNNSPDSA-N 2 2 331.460 2.089 10 0 EEAELP CC[NH+](CC)CC1CC[NH+](Cn2nc3c(cc2=O)CCCC3)CC1 ZINC000738071433 577998264 /nfs/dbraw/zinc/99/82/64/577998264.db2.gz QYSXBPAHYWKYBY-UHFFFAOYSA-N 2 2 332.492 2.133 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000765107696 577495159 /nfs/dbraw/zinc/49/51/59/577495159.db2.gz UOICHMVWENGGPX-DOTOQJQBSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000765107696 577495160 /nfs/dbraw/zinc/49/51/60/577495160.db2.gz UOICHMVWENGGPX-DOTOQJQBSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000765107696 577495161 /nfs/dbraw/zinc/49/51/61/577495161.db2.gz UOICHMVWENGGPX-DOTOQJQBSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000765107696 577495162 /nfs/dbraw/zinc/49/51/62/577495162.db2.gz UOICHMVWENGGPX-DOTOQJQBSA-N 2 2 342.443 2.197 10 0 EEAELP CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000753951296 577797310 /nfs/dbraw/zinc/79/73/10/577797310.db2.gz UXUNLMJZPGVBRU-RTBURBONSA-N 2 2 346.471 2.303 10 0 EEAELP CC(C)[N@H+]1CCO[C@@H](COC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000753951296 577797311 /nfs/dbraw/zinc/79/73/11/577797311.db2.gz UXUNLMJZPGVBRU-RTBURBONSA-N 2 2 346.471 2.303 10 0 EEAELP CC(C)[NH+]1CCO[C@@H](COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000753951296 577797312 /nfs/dbraw/zinc/79/73/12/577797312.db2.gz UXUNLMJZPGVBRU-RTBURBONSA-N 2 2 346.471 2.303 10 0 EEAELP CC(C)[NH+]1CCO[C@@H](COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000753951296 577797313 /nfs/dbraw/zinc/79/73/13/577797313.db2.gz UXUNLMJZPGVBRU-RTBURBONSA-N 2 2 346.471 2.303 10 0 EEAELP Cn1cc[nH+]c1C[C@@H](NC(=S)NCCC[NH+](C)C)c1ccccc1 ZINC000743023644 577879369 /nfs/dbraw/zinc/87/93/69/577879369.db2.gz YYEBNEALIMMDKF-MRXNPFEDSA-N 2 2 345.516 2.120 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC000924335984 675959197 /nfs/dbraw/zinc/95/91/97/675959197.db2.gz OHUBFOXVDBWJMQ-AEFFLSMTSA-N 2 2 336.524 2.090 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1C[C@H]1C1CC1 ZINC000924335984 675959199 /nfs/dbraw/zinc/95/91/99/675959199.db2.gz OHUBFOXVDBWJMQ-AEFFLSMTSA-N 2 2 336.524 2.090 10 0 EEAELP CN(C(=O)/C=C/C=C(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896987628 686036671 /nfs/dbraw/zinc/03/66/71/686036671.db2.gz GAZNLPTUUWEOSR-LYKUJDHUSA-N 2 2 346.302 2.489 10 0 EEAELP CN(C(=O)/C=C/C=C(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896987628 686036676 /nfs/dbraw/zinc/03/66/76/686036676.db2.gz GAZNLPTUUWEOSR-LYKUJDHUSA-N 2 2 346.302 2.489 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000898490165 693336113 /nfs/dbraw/zinc/33/61/13/693336113.db2.gz RPUSMASVLODZRY-LJQANCHMSA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCF)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000898490165 693336119 /nfs/dbraw/zinc/33/61/19/693336119.db2.gz RPUSMASVLODZRY-LJQANCHMSA-N 2 2 347.478 2.449 10 0 EEAELP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000898811386 693465786 /nfs/dbraw/zinc/46/57/86/693465786.db2.gz SMOSNPYYMIPAFL-WBVHZDCISA-N 2 2 328.416 2.192 10 0 EEAELP C[C@H](c1ncccn1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581635 1191848364 /nfs/dbraw/zinc/84/83/64/1191848364.db2.gz HGRVLWAGGWGVEJ-HZPDHXFCSA-N 2 2 347.507 2.096 10 0 EEAELP C[C@H](c1ncccn1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581635 1191848366 /nfs/dbraw/zinc/84/83/66/1191848366.db2.gz HGRVLWAGGWGVEJ-HZPDHXFCSA-N 2 2 347.507 2.096 10 0 EEAELP CO[C@@H](C[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001480878862 1176659794 /nfs/dbraw/zinc/65/97/94/1176659794.db2.gz JLRMLUQRRXHXFD-SFHVURJKSA-N 2 2 344.459 2.430 10 0 EEAELP CO[C@@H](C[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001480878862 1176659798 /nfs/dbraw/zinc/65/97/98/1176659798.db2.gz JLRMLUQRRXHXFD-SFHVURJKSA-N 2 2 344.459 2.430 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCc2ccccc21 ZINC001480885506 1176881676 /nfs/dbraw/zinc/88/16/76/1176881676.db2.gz XNKCSGPPPFGXJU-VQIMIIECSA-N 2 2 338.455 2.181 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H]1CCc2ccccc21 ZINC001480885506 1176881682 /nfs/dbraw/zinc/88/16/82/1176881682.db2.gz XNKCSGPPPFGXJU-VQIMIIECSA-N 2 2 338.455 2.181 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)CC[NH2+]CC3CC(C)C3)[nH+]c12 ZINC001266897862 1177748867 /nfs/dbraw/zinc/74/88/67/1177748867.db2.gz USLZYYLSBGBWIL-UHFFFAOYSA-N 2 2 328.460 2.279 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001267015635 1178094010 /nfs/dbraw/zinc/09/40/10/1178094010.db2.gz KFWBNKPQHCDPDC-SFHVURJKSA-N 2 2 340.471 2.176 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC001670735096 1178157181 /nfs/dbraw/zinc/15/71/81/1178157181.db2.gz SKUMAUUXONZNPK-IBGZPJMESA-N 2 2 334.423 2.427 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1ccc2ccccc2c1 ZINC001670735096 1178157186 /nfs/dbraw/zinc/15/71/86/1178157186.db2.gz SKUMAUUXONZNPK-IBGZPJMESA-N 2 2 334.423 2.427 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296523 1178703505 /nfs/dbraw/zinc/70/35/05/1178703505.db2.gz PGKHYPUISJQINQ-YRLOJYSSSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296523 1178703510 /nfs/dbraw/zinc/70/35/10/1178703510.db2.gz PGKHYPUISJQINQ-YRLOJYSSSA-N 2 2 330.476 2.240 10 0 EEAELP CN(CC[NH2+]CCCc1ccsc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001481250546 1180468705 /nfs/dbraw/zinc/46/87/05/1180468705.db2.gz OAVCKVDASGVCCF-MRXNPFEDSA-N 2 2 346.500 2.188 10 0 EEAELP Cc1ccc(CC[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC001481304629 1180974264 /nfs/dbraw/zinc/97/42/64/1180974264.db2.gz XJTWLTKFNLMJLF-UHFFFAOYSA-N 2 2 328.460 2.286 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001268163082 1181877290 /nfs/dbraw/zinc/87/72/90/1181877290.db2.gz RBBJPHAGJMQSDR-IRXDYDNUSA-N 2 2 348.491 2.048 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001268267154 1182108570 /nfs/dbraw/zinc/10/85/70/1182108570.db2.gz GDWXODBKPCQKMP-AEFFLSMTSA-N 2 2 348.491 2.000 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@@H]21 ZINC001268267154 1182108578 /nfs/dbraw/zinc/10/85/78/1182108578.db2.gz GDWXODBKPCQKMP-AEFFLSMTSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001268376838 1182390642 /nfs/dbraw/zinc/39/06/42/1182390642.db2.gz DOJSVQFDCJPNDF-FUHWJXTLSA-N 2 2 340.471 2.439 10 0 EEAELP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268460021 1182740957 /nfs/dbraw/zinc/74/09/57/1182740957.db2.gz NELOPQCJNUTLOR-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]Cc2cc(F)ccc2F)CCCC1 ZINC001481913270 1182937785 /nfs/dbraw/zinc/93/77/85/1182937785.db2.gz RRZONFGAVBZCBT-UHFFFAOYSA-N 2 2 348.397 2.380 10 0 EEAELP COCC[NH2+]CC[C@@H]1CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001481978457 1183068182 /nfs/dbraw/zinc/06/81/82/1183068182.db2.gz HMKXBDRNOPWHPQ-KRWDZBQOSA-N 2 2 333.476 2.485 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CCCC1CCC1 ZINC001482117208 1183349881 /nfs/dbraw/zinc/34/98/81/1183349881.db2.gz GJBFEOGCWZROHJ-DOTOQJQBSA-N 2 2 332.492 2.368 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC1=CCCCC1 ZINC001482142673 1183453752 /nfs/dbraw/zinc/45/37/52/1183453752.db2.gz NJLHGZCIAYSYBV-DJIMGWMZSA-N 2 2 330.476 2.366 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)CCc1[nH+]ccn1C ZINC001268654538 1183583857 /nfs/dbraw/zinc/58/38/57/1183583857.db2.gz ABPSMJHDEHJZNW-NEPJUHHUSA-N 2 2 347.290 2.031 10 0 EEAELP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001268742135 1183659074 /nfs/dbraw/zinc/65/90/74/1183659074.db2.gz DILGFIZAMVGKSY-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001268742135 1183659077 /nfs/dbraw/zinc/65/90/77/1183659077.db2.gz DILGFIZAMVGKSY-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001268742135 1183659081 /nfs/dbraw/zinc/65/90/81/1183659081.db2.gz DILGFIZAMVGKSY-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001268742135 1183659085 /nfs/dbraw/zinc/65/90/85/1183659085.db2.gz DILGFIZAMVGKSY-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]CCOC(C)C)C3CC3)ccn12 ZINC001269071884 1183939622 /nfs/dbraw/zinc/93/96/22/1183939622.db2.gz SNMZUOCYRFNQKX-KRWDZBQOSA-N 2 2 344.459 2.166 10 0 EEAELP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001269746395 1184586339 /nfs/dbraw/zinc/58/63/39/1184586339.db2.gz BIWAJJDRSHNXDR-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]CCc1ccccc1 ZINC001270436253 1185097500 /nfs/dbraw/zinc/09/75/00/1185097500.db2.gz MBVFBNFQGVKPQU-AEFFLSMTSA-N 2 2 340.471 2.030 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CC1=CCCCC1 ZINC001270436224 1185098048 /nfs/dbraw/zinc/09/80/48/1185098048.db2.gz LSONQWZYFKEUKC-WBVHZDCISA-N 2 2 330.476 2.288 10 0 EEAELP CC(C)C[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482387229 1185585480 /nfs/dbraw/zinc/58/54/80/1185585480.db2.gz LWKLKXXJNCDMLG-GDBMZVCRSA-N 2 2 344.459 2.334 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001482463200 1185934624 /nfs/dbraw/zinc/93/46/24/1185934624.db2.gz RONDHJSMSRQHNF-IAGOWNOFSA-N 2 2 348.491 2.191 10 0 EEAELP CC(C)[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cccnc1 ZINC001482556264 1186728333 /nfs/dbraw/zinc/72/83/33/1186728333.db2.gz HAEWJQCBLVLTRG-NVXWUHKLSA-N 2 2 329.448 2.160 10 0 EEAELP CN(CC[N@H+](C)CC[C@@H]1CCCCO1)C(=O)c1cccc2[nH+]ccn21 ZINC001482613204 1187394195 /nfs/dbraw/zinc/39/41/95/1187394195.db2.gz BCGGCCRIICPSTH-INIZCTEOSA-N 2 2 344.459 2.297 10 0 EEAELP CN(CC[N@@H+](C)CC[C@@H]1CCCCO1)C(=O)c1cccc2[nH+]ccn21 ZINC001482613204 1187394198 /nfs/dbraw/zinc/39/41/98/1187394198.db2.gz BCGGCCRIICPSTH-INIZCTEOSA-N 2 2 344.459 2.297 10 0 EEAELP CC[C@@H](C[NH2+]CC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1)OC ZINC001482834273 1187753941 /nfs/dbraw/zinc/75/39/41/1187753941.db2.gz TVUWEIJNTQJYFF-CJNGLKHVSA-N 2 2 332.448 2.166 10 0 EEAELP CC[C@H](C[NH2+]CC[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1)OC ZINC001482834275 1187754097 /nfs/dbraw/zinc/75/40/97/1187754097.db2.gz TVUWEIJNTQJYFF-XJKSGUPXSA-N 2 2 332.448 2.166 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+][C@@H](C)c2ncc(C)o2)c[nH+]1 ZINC001482842408 1187761615 /nfs/dbraw/zinc/76/16/15/1187761615.db2.gz BXTAXBFSPWETMR-DOMZBBRYSA-N 2 2 347.463 2.469 10 0 EEAELP CCN(CC[NH2+]Cc1ccccn1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001482924297 1187844799 /nfs/dbraw/zinc/84/47/99/1187844799.db2.gz OYQHLJSSWBCMAY-UHFFFAOYSA-N 2 2 337.427 2.290 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001691564745 1188265762 /nfs/dbraw/zinc/26/57/62/1188265762.db2.gz XMUWGBWTAKPBSI-SJORKVTESA-N 2 2 332.492 2.323 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001691564745 1188265765 /nfs/dbraw/zinc/26/57/65/1188265765.db2.gz XMUWGBWTAKPBSI-SJORKVTESA-N 2 2 332.492 2.323 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2F ZINC001483082366 1188445187 /nfs/dbraw/zinc/44/51/87/1188445187.db2.gz OYXKZVCHLZULMI-ZMUQKWFASA-N 2 2 342.418 2.051 10 0 EEAELP C[C@@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272865526 1193583133 /nfs/dbraw/zinc/58/31/33/1193583133.db2.gz MCGSXQYAJRHZSA-DZGCQCFKSA-N 2 2 344.459 2.476 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CCc1[nH+]ccn1C ZINC001483151596 1188882466 /nfs/dbraw/zinc/88/24/66/1188882466.db2.gz NSEDQPDKAWGQMJ-KGLIPLIRSA-N 2 2 342.434 2.273 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272873046 1193587836 /nfs/dbraw/zinc/58/78/36/1193587836.db2.gz FOJUMDINQPKPOE-FUHWJXTLSA-N 2 2 340.471 2.173 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001409420082 1189648816 /nfs/dbraw/zinc/64/88/16/1189648816.db2.gz MCIATCISYJEOLX-ZIAGYGMSSA-N 2 2 332.423 2.093 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001409449814 1189697481 /nfs/dbraw/zinc/69/74/81/1189697481.db2.gz DOMINGICMQCCHM-LSDHHAIUSA-N 2 2 329.448 2.085 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001409468442 1189751433 /nfs/dbraw/zinc/75/14/33/1189751433.db2.gz MNGLINYLEBMHET-HUUCEWRRSA-N 2 2 326.444 2.444 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CCCCC(F)(F)F ZINC001485944898 1193654222 /nfs/dbraw/zinc/65/42/22/1193654222.db2.gz JTJWTOVLWNCDRV-LBPRGKRZSA-N 2 2 334.386 2.132 10 0 EEAELP Cc1csc(C[NH2+]C[C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC001483298306 1190320832 /nfs/dbraw/zinc/32/08/32/1190320832.db2.gz KATNZXNNWALXDG-SUMWQHHRSA-N 2 2 346.500 2.349 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCCc2ccc(F)cc21)NC(=O)Cn1cc[nH+]c1 ZINC001483299538 1190322834 /nfs/dbraw/zinc/32/28/34/1190322834.db2.gz ACELXVSXSMOZEB-SUMWQHHRSA-N 2 2 330.407 2.194 10 0 EEAELP C[C@H](C[N@H+](C)CCC1CCOCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483392521 1190436489 /nfs/dbraw/zinc/43/64/89/1190436489.db2.gz ZNAAEAYJPQUVKO-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H](C[N@@H+](C)CCC1CCOCC1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483392521 1190436493 /nfs/dbraw/zinc/43/64/93/1190436493.db2.gz ZNAAEAYJPQUVKO-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001483801387 1191042883 /nfs/dbraw/zinc/04/28/83/1191042883.db2.gz IKSHOUDIGZAWDG-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001483801387 1191042887 /nfs/dbraw/zinc/04/28/87/1191042887.db2.gz IKSHOUDIGZAWDG-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP CN(C(=O)C[N@H+](C)C1CCC1)C1C[NH+](CCCc2ccsc2)C1 ZINC001483869491 1191101264 /nfs/dbraw/zinc/10/12/64/1191101264.db2.gz YLFJBVVSGOPEOB-UHFFFAOYSA-N 2 2 335.517 2.308 10 0 EEAELP CN(C(=O)C[N@@H+](C)C1CCC1)C1C[NH+](CCCc2ccsc2)C1 ZINC001483869491 1191101266 /nfs/dbraw/zinc/10/12/66/1191101266.db2.gz YLFJBVVSGOPEOB-UHFFFAOYSA-N 2 2 335.517 2.308 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)C1C[NH+]([C@H]2CCCc3ccccc32)C1 ZINC001483873330 1191103163 /nfs/dbraw/zinc/10/31/63/1191103163.db2.gz SHJXEZVMXZGSPL-IBGZPJMESA-N 2 2 338.455 2.493 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001483974737 1191137878 /nfs/dbraw/zinc/13/78/78/1191137878.db2.gz PDXKEYCWPRSSLJ-MRXNPFEDSA-N 2 2 348.491 2.191 10 0 EEAELP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001484102373 1191211444 /nfs/dbraw/zinc/21/14/44/1191211444.db2.gz XCOOXNJEXHPPCR-APWZRJJASA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001484128263 1191225000 /nfs/dbraw/zinc/22/50/00/1191225000.db2.gz NSZRVOFUJUARMZ-GOSISDBHSA-N 2 2 345.447 2.023 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@](C)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)co1 ZINC001484172068 1191258155 /nfs/dbraw/zinc/25/81/55/1191258155.db2.gz CPFNSQMCYKZHOG-LPHOPBHVSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@](C)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)co1 ZINC001484172068 1191258157 /nfs/dbraw/zinc/25/81/57/1191258157.db2.gz CPFNSQMCYKZHOG-LPHOPBHVSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@](C)(CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)co1 ZINC001484172068 1191258159 /nfs/dbraw/zinc/25/81/59/1191258159.db2.gz CPFNSQMCYKZHOG-LPHOPBHVSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@](C)(CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)co1 ZINC001484172068 1191258161 /nfs/dbraw/zinc/25/81/61/1191258161.db2.gz CPFNSQMCYKZHOG-LPHOPBHVSA-N 2 2 348.491 2.043 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CC2CC2)CCC1(F)F)n1cc[nH+]c1 ZINC001484195193 1191267500 /nfs/dbraw/zinc/26/75/00/1191267500.db2.gz FCKNPLMSTUZVQF-UKRRQHHQSA-N 2 2 340.418 2.318 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCC1(F)F)n1cc[nH+]c1 ZINC001484195193 1191267502 /nfs/dbraw/zinc/26/75/02/1191267502.db2.gz FCKNPLMSTUZVQF-UKRRQHHQSA-N 2 2 340.418 2.318 10 0 EEAELP CC(C)(C(=O)N1CC[C@H](CC[NH2+]C[C@H]2CCCCO2)C1)c1c[nH+]c[nH]1 ZINC001484547268 1191408525 /nfs/dbraw/zinc/40/85/25/1191408525.db2.gz PEPDIEZBWGKOBS-JKSUJKDBSA-N 2 2 348.491 2.085 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001484718044 1191481802 /nfs/dbraw/zinc/48/18/02/1191481802.db2.gz LZJUZLCINXQCCI-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP CCOCCC[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001484718044 1191481803 /nfs/dbraw/zinc/48/18/03/1191481803.db2.gz LZJUZLCINXQCCI-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP COCCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484728014 1191487427 /nfs/dbraw/zinc/48/74/27/1191487427.db2.gz XPESGAVQOJBLPQ-INIZCTEOSA-N 2 2 336.480 2.048 10 0 EEAELP COCCCCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484728014 1191487431 /nfs/dbraw/zinc/48/74/31/1191487431.db2.gz XPESGAVQOJBLPQ-INIZCTEOSA-N 2 2 336.480 2.048 10 0 EEAELP COc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001485356000 1191760872 /nfs/dbraw/zinc/76/08/72/1191760872.db2.gz KOGACHGJBRZVAE-JKSUJKDBSA-N 2 2 344.459 2.480 10 0 EEAELP COc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001485356000 1191760874 /nfs/dbraw/zinc/76/08/74/1191760874.db2.gz KOGACHGJBRZVAE-JKSUJKDBSA-N 2 2 344.459 2.480 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)on1 ZINC001485389793 1191776020 /nfs/dbraw/zinc/77/60/20/1191776020.db2.gz VSCRUAGIFVDCPG-WBVHZDCISA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)on1 ZINC001485389793 1191776021 /nfs/dbraw/zinc/77/60/21/1191776021.db2.gz VSCRUAGIFVDCPG-WBVHZDCISA-N 2 2 336.480 2.040 10 0 EEAELP COCCCC[NH+]1CC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001485511670 1191815484 /nfs/dbraw/zinc/81/54/84/1191815484.db2.gz KPEPYOAJGZHFFP-ZDUSSCGKSA-N 2 2 330.432 2.040 10 0 EEAELP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001485513829 1191816298 /nfs/dbraw/zinc/81/62/98/1191816298.db2.gz RLNASFWOPMTQDC-JKSUJKDBSA-N 2 2 332.492 2.318 10 0 EEAELP CCOCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001486207421 1193720322 /nfs/dbraw/zinc/72/03/22/1193720322.db2.gz RCMKWNDEEHCMDV-GDBMZVCRSA-N 2 2 344.459 2.478 10 0 EEAELP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC001486250214 1193777147 /nfs/dbraw/zinc/77/71/47/1193777147.db2.gz PGCJKSYEKKEAJN-AHKGRUIUSA-N 2 2 338.455 2.423 10 0 EEAELP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2cscn2)CC1)[NH+](C)C ZINC001486450006 1193964446 /nfs/dbraw/zinc/96/44/46/1193964446.db2.gz XMFFRRYQNVAFIP-BBRMVZONSA-N 2 2 338.521 2.200 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)cc1 ZINC001273025463 1194331899 /nfs/dbraw/zinc/33/18/99/1194331899.db2.gz REHAPXRTWMTFFB-LJQANCHMSA-N 2 2 340.471 2.405 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCC1=CCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001691670356 1194349791 /nfs/dbraw/zinc/34/97/91/1194349791.db2.gz MBOOPFGCHOAPFU-QGZVFWFLSA-N 2 2 330.476 2.386 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CCC1=CCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001691670356 1194349795 /nfs/dbraw/zinc/34/97/95/1194349795.db2.gz MBOOPFGCHOAPFU-QGZVFWFLSA-N 2 2 330.476 2.386 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CC1=CCCCC1)C(=O)CCc1c[nH+]cn1C ZINC001691674363 1197471826 /nfs/dbraw/zinc/47/18/26/1197471826.db2.gz DDIKROKMGOOBAK-SFHVURJKSA-N 2 2 330.476 2.386 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CC1=CCCCC1)C(=O)CCc1c[nH+]cn1C ZINC001691674363 1197471827 /nfs/dbraw/zinc/47/18/27/1197471827.db2.gz DDIKROKMGOOBAK-SFHVURJKSA-N 2 2 330.476 2.386 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H]2CN(C)C(=O)CCCC[NH+](C)C)sn1 ZINC001691674441 1197472444 /nfs/dbraw/zinc/47/24/44/1197472444.db2.gz FUGKXCYJQYJDAY-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)CCCC[NH+](C)C)sn1 ZINC001691674441 1197472446 /nfs/dbraw/zinc/47/24/46/1197472446.db2.gz FUGKXCYJQYJDAY-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001410441770 1197902587 /nfs/dbraw/zinc/90/25/87/1197902587.db2.gz DOJUOCDHFPSVRK-ZIAGYGMSSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001410441770 1197902593 /nfs/dbraw/zinc/90/25/93/1197902593.db2.gz DOJUOCDHFPSVRK-ZIAGYGMSSA-N 2 2 332.423 2.364 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001273291835 1197962501 /nfs/dbraw/zinc/96/25/01/1197962501.db2.gz HCJPJKUNWHKPKA-GOSISDBHSA-N 2 2 342.443 2.103 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CC1CC2(CCC2)C1 ZINC001410495941 1198049714 /nfs/dbraw/zinc/04/97/14/1198049714.db2.gz SLWAREPOAARCTF-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC001410893345 1198547739 /nfs/dbraw/zinc/54/77/39/1198547739.db2.gz GWHMHZRVIJWLFX-NVXWUHKLSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC001410893345 1198547744 /nfs/dbraw/zinc/54/77/44/1198547744.db2.gz GWHMHZRVIJWLFX-NVXWUHKLSA-N 2 2 336.505 2.098 10 0 EEAELP C/C(=C/c1ccncc1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870665023 1200800289 /nfs/dbraw/zinc/80/02/89/1200800289.db2.gz ICGZYJPIPSWQDB-SQFISAMPSA-N 2 2 337.427 2.270 10 0 EEAELP C[NH+](C)CCN1CCC(C[NH2+][C@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866259472 1201478250 /nfs/dbraw/zinc/47/82/50/1201478250.db2.gz MXCJBLQWFOBZSW-HKUYNNGSSA-N 2 2 335.467 2.321 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C(C)(C)C ZINC000880612397 1201541416 /nfs/dbraw/zinc/54/14/16/1201541416.db2.gz JZFLDLJCGDDSEC-INIZCTEOSA-N 2 2 334.464 2.073 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C(C)(C)C ZINC000880612397 1201541419 /nfs/dbraw/zinc/54/14/19/1201541419.db2.gz JZFLDLJCGDDSEC-INIZCTEOSA-N 2 2 334.464 2.073 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1C[NH3+] ZINC000866676280 1201576735 /nfs/dbraw/zinc/57/67/35/1201576735.db2.gz ZJVMPERLTPPGPC-GHMZBOCLSA-N 2 2 329.416 2.466 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(SC(F)F)cc2)C[C@H]1C[NH3+] ZINC000866676280 1201576738 /nfs/dbraw/zinc/57/67/38/1201576738.db2.gz ZJVMPERLTPPGPC-GHMZBOCLSA-N 2 2 329.416 2.466 10 0 EEAELP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868096201 1201741994 /nfs/dbraw/zinc/74/19/94/1201741994.db2.gz FMUOKRWBZFQGKK-KRWDZBQOSA-N 2 2 327.432 2.068 10 0 EEAELP Cc1[nH+]ccn1CCCNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868096201 1201741996 /nfs/dbraw/zinc/74/19/96/1201741996.db2.gz FMUOKRWBZFQGKK-KRWDZBQOSA-N 2 2 327.432 2.068 10 0 EEAELP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868096202 1201742049 /nfs/dbraw/zinc/74/20/49/1201742049.db2.gz FMUOKRWBZFQGKK-QGZVFWFLSA-N 2 2 327.432 2.068 10 0 EEAELP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868096202 1201742051 /nfs/dbraw/zinc/74/20/51/1201742051.db2.gz FMUOKRWBZFQGKK-QGZVFWFLSA-N 2 2 327.432 2.068 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000882394857 1201865918 /nfs/dbraw/zinc/86/59/18/1201865918.db2.gz JISWFLAQGDYTMI-SFHVURJKSA-N 2 2 339.443 2.265 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882394857 1201865920 /nfs/dbraw/zinc/86/59/20/1201865920.db2.gz JISWFLAQGDYTMI-SFHVURJKSA-N 2 2 339.443 2.265 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000882394857 1201865923 /nfs/dbraw/zinc/86/59/23/1201865923.db2.gz JISWFLAQGDYTMI-SFHVURJKSA-N 2 2 339.443 2.265 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882394857 1201865926 /nfs/dbraw/zinc/86/59/26/1201865926.db2.gz JISWFLAQGDYTMI-SFHVURJKSA-N 2 2 339.443 2.265 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1[NH2+]CCCC1CCC1 ZINC001274289728 1204987639 /nfs/dbraw/zinc/98/76/39/1204987639.db2.gz PXXGEPOJQRMVHW-MAUKXSAKSA-N 2 2 332.492 2.370 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCc1ccccc1F)C(=O)Cn1cc[nH+]c1 ZINC001275750765 1205512014 /nfs/dbraw/zinc/51/20/14/1205512014.db2.gz LKRCKWMIQDEQRN-UHFFFAOYSA-N 2 2 346.450 2.339 10 0 EEAELP C[C@H]1COC[C@H](C)C1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000924614123 1206003980 /nfs/dbraw/zinc/00/39/80/1206003980.db2.gz SLTPILAVNAQBPP-ROUUACIJSA-N 2 2 331.504 2.459 10 0 EEAELP Fc1ccc([C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)N2CCOCC2)cc1 ZINC000925501657 1206120091 /nfs/dbraw/zinc/12/00/91/1206120091.db2.gz BQDQCMZMOSBGQP-QZTJIDSGSA-N 2 2 333.451 2.073 10 0 EEAELP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000926450579 1206221432 /nfs/dbraw/zinc/22/14/32/1206221432.db2.gz OZMKDQXANNPNMA-SRBZOADZSA-N 2 2 330.407 2.262 10 0 EEAELP CC(C)NC(=O)C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858989 1206588298 /nfs/dbraw/zinc/58/82/98/1206588298.db2.gz LHXVCAWGJCZBIY-CALCHBBNSA-N 2 2 347.503 2.252 10 0 EEAELP CC(C)NC(=O)C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858989 1206588299 /nfs/dbraw/zinc/58/82/99/1206588299.db2.gz LHXVCAWGJCZBIY-CALCHBBNSA-N 2 2 347.503 2.252 10 0 EEAELP CC(C)NC(=O)C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858989 1206588300 /nfs/dbraw/zinc/58/83/00/1206588300.db2.gz LHXVCAWGJCZBIY-CALCHBBNSA-N 2 2 347.503 2.252 10 0 EEAELP CC(C)NC(=O)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930858989 1206588301 /nfs/dbraw/zinc/58/83/01/1206588301.db2.gz LHXVCAWGJCZBIY-CALCHBBNSA-N 2 2 347.503 2.252 10 0 EEAELP Cn1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C(F)(F)F ZINC000903460592 1240535384 /nfs/dbraw/zinc/53/53/84/1240535384.db2.gz FASIPAJKAVGDAV-YUTCNCBUSA-N 2 2 346.397 2.300 10 0 EEAELP Cn1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C(F)(F)F ZINC000903460592 1240535388 /nfs/dbraw/zinc/53/53/88/1240535388.db2.gz FASIPAJKAVGDAV-YUTCNCBUSA-N 2 2 346.397 2.300 10 0 EEAELP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCC2)N[C@@H]1CCCc2ccccc21 ZINC000903469211 1240567996 /nfs/dbraw/zinc/56/79/96/1240567996.db2.gz RQZPPHKLPYNWKW-MSOLQXFVSA-N 2 2 327.472 2.445 10 0 EEAELP CCC1([NH3+])CC[NH+](Cc2c(C)nn(C)c2OCC(F)(F)F)CC1 ZINC000903947522 1242659712 /nfs/dbraw/zinc/65/97/12/1242659712.db2.gz ZLKZIAFLWSGQPH-UHFFFAOYSA-N 2 2 334.386 2.373 10 0 EEAELP COCCCOc1cccc(C[NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)c1 ZINC000903975158 1242814427 /nfs/dbraw/zinc/81/44/27/1242814427.db2.gz YHFIOPLCDSCSFB-SFHVURJKSA-N 2 2 348.487 2.350 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001491494792 1259144365 /nfs/dbraw/zinc/14/43/65/1259144365.db2.gz GQUVMAQABHQHHL-INIZCTEOSA-N 2 2 341.455 2.278 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)c1cc(C[NH+](C)C)on1 ZINC001273476270 1278574657 /nfs/dbraw/zinc/57/46/57/1278574657.db2.gz IKHOYGPYGWBYPI-UHFFFAOYSA-N 2 2 348.422 2.127 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000852211983 1292041521 /nfs/dbraw/zinc/04/15/21/1292041521.db2.gz YIYQKRKYRAQFIK-ZWKOTPCHSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000852211983 1292041530 /nfs/dbraw/zinc/04/15/30/1292041530.db2.gz YIYQKRKYRAQFIK-ZWKOTPCHSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000852211983 1292041542 /nfs/dbraw/zinc/04/15/42/1292041542.db2.gz YIYQKRKYRAQFIK-ZWKOTPCHSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000852211983 1292041551 /nfs/dbraw/zinc/04/15/51/1292041551.db2.gz YIYQKRKYRAQFIK-ZWKOTPCHSA-N 2 2 340.895 2.325 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(Cl)ccc1Cl ZINC000855416108 1293210526 /nfs/dbraw/zinc/21/05/26/1293210526.db2.gz GGTPMIGBQJEGGT-UHFFFAOYSA-N 2 2 333.263 2.002 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(Cl)ccc1Cl ZINC000855416108 1293210529 /nfs/dbraw/zinc/21/05/29/1293210529.db2.gz GGTPMIGBQJEGGT-UHFFFAOYSA-N 2 2 333.263 2.002 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC1CC1 ZINC000858126836 1294014526 /nfs/dbraw/zinc/01/45/26/1294014526.db2.gz LDDRQUNDEJSJIC-NVXWUHKLSA-N 2 2 332.444 2.189 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC1CC1 ZINC000858126836 1294014528 /nfs/dbraw/zinc/01/45/28/1294014528.db2.gz LDDRQUNDEJSJIC-NVXWUHKLSA-N 2 2 332.444 2.189 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H](C[NH2+]CCCCCF)C1 ZINC001491161076 1299644183 /nfs/dbraw/zinc/64/41/83/1299644183.db2.gz RQEJAHDGFAGVJS-BZUAXINKSA-N 2 2 336.455 2.481 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CCCCCF)C1 ZINC001491161076 1299644195 /nfs/dbraw/zinc/64/41/95/1299644195.db2.gz RQEJAHDGFAGVJS-BZUAXINKSA-N 2 2 336.455 2.481 10 0 EEAELP C[C@H](CCC[NH2+]Cc1cccc(F)c1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306240 1302297473 /nfs/dbraw/zinc/29/74/73/1302297473.db2.gz SGTRCRCEYWJKEW-GFCCVEGCSA-N 2 2 336.386 2.305 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306227 1302297679 /nfs/dbraw/zinc/29/76/79/1302297679.db2.gz SEJPRFHTSJTCRB-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001491556864 1303519238 /nfs/dbraw/zinc/51/92/38/1303519238.db2.gz BZWWSCRCSVPOJX-YJBOKZPZSA-N 2 2 339.524 2.160 10 0 EEAELP CCC(CC)C[NH2+][C@@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001491556864 1303519242 /nfs/dbraw/zinc/51/92/42/1303519242.db2.gz BZWWSCRCSVPOJX-YJBOKZPZSA-N 2 2 339.524 2.160 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001278437796 1310265500 /nfs/dbraw/zinc/26/55/00/1310265500.db2.gz IHRIKKIHDHRJAU-IBGZPJMESA-N 2 2 348.491 2.365 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001278437796 1310265510 /nfs/dbraw/zinc/26/55/10/1310265510.db2.gz IHRIKKIHDHRJAU-IBGZPJMESA-N 2 2 348.491 2.365 10 0 EEAELP Cc1cc(C)cc(-n2ncc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)c1 ZINC000843059715 1315831857 /nfs/dbraw/zinc/83/18/57/1315831857.db2.gz QTXNSFYSSSBGRG-IPELMVKDSA-N 2 2 325.460 2.443 10 0 EEAELP Cc1cc(C)cc(-n2ncc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)c1 ZINC000843059715 1315831860 /nfs/dbraw/zinc/83/18/60/1315831860.db2.gz QTXNSFYSSSBGRG-IPELMVKDSA-N 2 2 325.460 2.443 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)C[N@H+](Cc2ccccc2)C1 ZINC000843420133 1315912181 /nfs/dbraw/zinc/91/21/81/1315912181.db2.gz MYQIIEMTSQYDQJ-AEFFLSMTSA-N 2 2 327.476 2.248 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000843420133 1315912183 /nfs/dbraw/zinc/91/21/83/1315912183.db2.gz MYQIIEMTSQYDQJ-AEFFLSMTSA-N 2 2 327.476 2.248 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317160288 1319880520 /nfs/dbraw/zinc/88/05/20/1319880520.db2.gz ABEUBXIXFSIXMA-LLVKDONJSA-N 2 2 331.247 2.099 10 0 EEAELP CCc1cnc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)o1 ZINC001264728298 1322793708 /nfs/dbraw/zinc/79/37/08/1322793708.db2.gz HAGQCSAYKPRGAE-ZBFHGGJFSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)o1 ZINC001264728298 1322793711 /nfs/dbraw/zinc/79/37/11/1322793711.db2.gz HAGQCSAYKPRGAE-ZBFHGGJFSA-N 2 2 336.480 2.048 10 0 EEAELP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2cscn2)C1 ZINC001265025737 1322869487 /nfs/dbraw/zinc/86/94/87/1322869487.db2.gz GEHUJGYNFHPHTK-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2cscn2)C1 ZINC001265025737 1322869493 /nfs/dbraw/zinc/86/94/93/1322869493.db2.gz GEHUJGYNFHPHTK-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@H+](C)Cc2cscn2)C1 ZINC001265025737 1322869502 /nfs/dbraw/zinc/86/95/02/1322869502.db2.gz GEHUJGYNFHPHTK-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@@H+](C)Cc2cscn2)C1 ZINC001265025737 1322869507 /nfs/dbraw/zinc/86/95/07/1322869507.db2.gz GEHUJGYNFHPHTK-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP CCOCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001265085472 1322913066 /nfs/dbraw/zinc/91/30/66/1322913066.db2.gz FSMGAEZXBUIVTL-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC001265375627 1323105767 /nfs/dbraw/zinc/10/57/67/1323105767.db2.gz AHDZIGIKMLFTRZ-RYUDHWBXSA-N 2 2 345.274 2.021 10 0 EEAELP C[C@@H](CC(=O)N1CCC[C@H]([N@H+](C)CCOCC2CC2)C1)n1cc[nH+]c1 ZINC001266114041 1323682160 /nfs/dbraw/zinc/68/21/60/1323682160.db2.gz WAXOJWVGULVUSX-WMZOPIPTSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@@H](CC(=O)N1CCC[C@H]([N@@H+](C)CCOCC2CC2)C1)n1cc[nH+]c1 ZINC001266114041 1323682166 /nfs/dbraw/zinc/68/21/66/1323682166.db2.gz WAXOJWVGULVUSX-WMZOPIPTSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)C[NH+](C)C3CCC3)CC2)o1 ZINC001279574387 1323942206 /nfs/dbraw/zinc/94/22/06/1323942206.db2.gz UCEGBLODZKWVLJ-HNNXBMFYSA-N 2 2 346.475 2.277 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)C[NH+](C)C3CCC3)CC2)o1 ZINC001279574387 1323942212 /nfs/dbraw/zinc/94/22/12/1323942212.db2.gz UCEGBLODZKWVLJ-HNNXBMFYSA-N 2 2 346.475 2.277 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC001279574387 1323942216 /nfs/dbraw/zinc/94/22/16/1323942216.db2.gz UCEGBLODZKWVLJ-HNNXBMFYSA-N 2 2 346.475 2.277 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC001279574387 1323942222 /nfs/dbraw/zinc/94/22/22/1323942222.db2.gz UCEGBLODZKWVLJ-HNNXBMFYSA-N 2 2 346.475 2.277 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001280274329 1324138151 /nfs/dbraw/zinc/13/81/51/1324138151.db2.gz NQUVYNTVMIEZET-HNNXBMFYSA-N 2 2 346.500 2.393 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001276666067 1325016287 /nfs/dbraw/zinc/01/62/87/1325016287.db2.gz RLWXHMZNRSZHHD-BZUAXINKSA-N 2 2 332.492 2.444 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001281912819 1325506855 /nfs/dbraw/zinc/50/68/55/1325506855.db2.gz QKOHNCDFPBXSAS-UYAOXDASSA-N 2 2 338.455 2.301 10 0 EEAELP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001282016153 1325572273 /nfs/dbraw/zinc/57/22/73/1325572273.db2.gz VIZYJJYSFGAXBV-DOPNRYRRSA-N 2 2 330.476 2.286 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCOc1ccccc1 ZINC001283617147 1326164617 /nfs/dbraw/zinc/16/46/17/1326164617.db2.gz GJYWOMQMSIUKFJ-DJIMGWMZSA-N 2 2 342.443 2.029 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCOc1ccccc1 ZINC001283617147 1326164619 /nfs/dbraw/zinc/16/46/19/1326164619.db2.gz GJYWOMQMSIUKFJ-DJIMGWMZSA-N 2 2 342.443 2.029 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1C ZINC001491595138 1330178057 /nfs/dbraw/zinc/17/80/57/1330178057.db2.gz MFXDKPPUEOWIBC-LSDHHAIUSA-N 2 2 344.459 2.446 10 0 EEAELP CO[C@H](C[N@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCC1 ZINC001491945019 1330336865 /nfs/dbraw/zinc/33/68/65/1330336865.db2.gz VQIAAKFXCJATST-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@H](C[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCC1 ZINC001491945019 1330336870 /nfs/dbraw/zinc/33/68/70/1330336870.db2.gz VQIAAKFXCJATST-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc2cncc(C)c2)c[nH+]1 ZINC001492041319 1330414284 /nfs/dbraw/zinc/41/42/84/1330414284.db2.gz JTJWSKCBXNSLBC-OAHLLOKOSA-N 2 2 343.475 2.315 10 0 EEAELP Cc1nc(C[NH+]2CCC(N(C)C(=O)CCCC[NH+](C)C)CC2)co1 ZINC001316936094 1331818863 /nfs/dbraw/zinc/81/88/63/1331818863.db2.gz VVWINSXUEQQJPX-UHFFFAOYSA-N 2 2 336.480 2.138 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001316754681 1331873558 /nfs/dbraw/zinc/87/35/58/1331873558.db2.gz PDURSPZPYGCCRR-KSZLIROESA-N 2 2 344.503 2.416 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@@H]2C1 ZINC001316754681 1331873562 /nfs/dbraw/zinc/87/35/62/1331873562.db2.gz PDURSPZPYGCCRR-KSZLIROESA-N 2 2 344.503 2.416 10 0 EEAELP CCOCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001316771197 1331884316 /nfs/dbraw/zinc/88/43/16/1331884316.db2.gz LGXCGVLQPXKVFI-KRWDZBQOSA-N 2 2 349.475 2.030 10 0 EEAELP C[C@@H](CC(=O)NCCC[N@H+](C)Cc1cncc(F)c1)n1cc[nH+]c1 ZINC001316852827 1331936100 /nfs/dbraw/zinc/93/61/00/1331936100.db2.gz ZCZCMOPMWJVEMV-AWEZNQCLSA-N 2 2 333.411 2.007 10 0 EEAELP C[C@@H](CC(=O)NCCC[N@@H+](C)Cc1cncc(F)c1)n1cc[nH+]c1 ZINC001316852827 1331936103 /nfs/dbraw/zinc/93/61/03/1331936103.db2.gz ZCZCMOPMWJVEMV-AWEZNQCLSA-N 2 2 333.411 2.007 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CC/C=C\c2ccccc2)C1 ZINC001317090455 1332075467 /nfs/dbraw/zinc/07/54/67/1332075467.db2.gz AWQGZRYBPOULIO-XQZWBGLLSA-N 2 2 338.455 2.303 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317100261 1332078662 /nfs/dbraw/zinc/07/86/62/1332078662.db2.gz PCKZEXPJNCVQDW-FUHWJXTLSA-N 2 2 348.491 2.000 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317100261 1332078665 /nfs/dbraw/zinc/07/86/65/1332078665.db2.gz PCKZEXPJNCVQDW-FUHWJXTLSA-N 2 2 348.491 2.000 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1CCC1 ZINC001317694584 1332376736 /nfs/dbraw/zinc/37/67/36/1332376736.db2.gz SIBFPLTWPROSCM-KRWDZBQOSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1CCC1 ZINC001317694584 1332376738 /nfs/dbraw/zinc/37/67/38/1332376738.db2.gz SIBFPLTWPROSCM-KRWDZBQOSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001318179888 1332483305 /nfs/dbraw/zinc/48/33/05/1332483305.db2.gz PTROTFJTBVDJEJ-UHFFFAOYSA-N 2 2 348.466 2.035 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]Cc1cncs1 ZINC001319210263 1332665800 /nfs/dbraw/zinc/66/58/00/1332665800.db2.gz UWJZKCSXPGAHBV-LLVKDONJSA-N 2 2 329.429 2.175 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CCc1ccccc1Cl ZINC001319242127 1332670282 /nfs/dbraw/zinc/67/02/82/1332670282.db2.gz OTMBKCVGCWPLKI-CYBMUJFWSA-N 2 2 334.851 2.190 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001319502687 1332712504 /nfs/dbraw/zinc/71/25/04/1332712504.db2.gz NVJCIBGDKVLEBF-MRXNPFEDSA-N 2 2 344.459 2.347 10 0 EEAELP C[C@@H](CC[NH2+]CCc1cccs1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320468004 1332890880 /nfs/dbraw/zinc/89/08/80/1332890880.db2.gz HRQDFKYHQZVJFI-GJZGRUSLSA-N 2 2 346.500 2.234 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001320490236 1332895986 /nfs/dbraw/zinc/89/59/86/1332895986.db2.gz ITHWIYWGSFHAHL-HNNXBMFYSA-N 2 2 337.427 2.336 10 0 EEAELP Cc1nc(C)c(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001321098565 1333019876 /nfs/dbraw/zinc/01/98/76/1333019876.db2.gz WVECWIQZABLXOT-LSMGEYOZSA-N 2 2 345.472 2.049 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001321177077 1333037892 /nfs/dbraw/zinc/03/78/92/1333037892.db2.gz AYQHZMVIERDOES-QFRLHKFZSA-N 2 2 342.418 2.362 10 0 EEAELP COc1ccc(C)cc1C[NH2+]C/C=C/CNC(=O)Cc1[nH]c[nH+]c1C ZINC001321362824 1333084865 /nfs/dbraw/zinc/08/48/65/1333084865.db2.gz GXXHLWFPIYILHI-SNAWJCMRSA-N 2 2 342.443 2.040 10 0 EEAELP C[C@H](C[N@H+](C)CC[C@@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322167646 1333220754 /nfs/dbraw/zinc/22/07/54/1333220754.db2.gz DRYRYCSRLNGXBD-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](C[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001322167646 1333220757 /nfs/dbraw/zinc/22/07/57/1333220757.db2.gz DRYRYCSRLNGXBD-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](C[N@H+](C)CC[C@@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001322167646 1333220760 /nfs/dbraw/zinc/22/07/60/1333220760.db2.gz DRYRYCSRLNGXBD-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP 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ZINC001327996837 1334375846 /nfs/dbraw/zinc/37/58/46/1334375846.db2.gz YMAVNKGAGLOECJ-CQSZACIVSA-N 2 2 344.459 2.308 10 0 EEAELP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc2ccccc2o1 ZINC001328463584 1334462278 /nfs/dbraw/zinc/46/22/78/1334462278.db2.gz HUJCBOBPHSEVEO-AWEZNQCLSA-N 2 2 326.400 2.314 10 0 EEAELP COCC[NH2+]C1CCC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001329230118 1334611405 /nfs/dbraw/zinc/61/14/05/1334611405.db2.gz GZVUGPSHVICCMA-UHFFFAOYSA-N 2 2 344.459 2.262 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCC3=CCCCC3)C[C@H]21 ZINC001330363060 1334829961 /nfs/dbraw/zinc/82/99/61/1334829961.db2.gz IKAVWRGEKROECA-NNZMDNLPSA-N 2 2 328.460 2.068 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCC3=CCCCC3)C[C@H]21 ZINC001330363060 1334829962 /nfs/dbraw/zinc/82/99/62/1334829962.db2.gz IKAVWRGEKROECA-NNZMDNLPSA-N 2 2 328.460 2.068 10 0 EEAELP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001664023193 1355076273 /nfs/dbraw/zinc/07/62/73/1355076273.db2.gz 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2.118 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1ccc2cc[nH]c2c1 ZINC001663443470 1354962941 /nfs/dbraw/zinc/96/29/41/1354962941.db2.gz UKHUUFCYXNVEOG-UHFFFAOYSA-N 2 2 339.443 2.082 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1ccc2cc[nH]c2c1 ZINC001663443470 1354962944 /nfs/dbraw/zinc/96/29/44/1354962944.db2.gz UKHUUFCYXNVEOG-UHFFFAOYSA-N 2 2 339.443 2.082 10 0 EEAELP Cc1cccc(C[NH2+]CCN(C)C(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC001663943568 1355058285 /nfs/dbraw/zinc/05/82/85/1355058285.db2.gz DUNJFBRLDZPAFY-UHFFFAOYSA-N 2 2 340.471 2.319 10 0 EEAELP CC[C@H](F)C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001664516372 1355183916 /nfs/dbraw/zinc/18/39/16/1355183916.db2.gz ADWHYLGTLSERKR-HOTGVXAUSA-N 2 2 338.471 2.410 10 0 EEAELP CC[C@H](F)C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001664516372 1355183920 /nfs/dbraw/zinc/18/39/20/1355183920.db2.gz ADWHYLGTLSERKR-HOTGVXAUSA-N 2 2 338.471 2.410 10 0 EEAELP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001665933835 1355411679 /nfs/dbraw/zinc/41/16/79/1355411679.db2.gz OWARSDBPKOLOJU-MRXNPFEDSA-N 2 2 330.476 2.430 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001672314838 1356499524 /nfs/dbraw/zinc/49/95/24/1356499524.db2.gz DLXRBZVBJLBFOP-AEFFLSMTSA-N 2 2 340.471 2.269 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001672425528 1356521790 /nfs/dbraw/zinc/52/17/90/1356521790.db2.gz XLJKZJSVNVFECS-LXEGMVBOSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001672425528 1356521793 /nfs/dbraw/zinc/52/17/93/1356521793.db2.gz XLJKZJSVNVFECS-LXEGMVBOSA-N 2 2 342.487 2.192 10 0 EEAELP Cc1cnc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)o1 ZINC001674495864 1356847409 /nfs/dbraw/zinc/84/74/09/1356847409.db2.gz PNKAXPSCXVYYPI-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1cnc(C[N@H+](C)C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)o1 ZINC001674495864 1356847412 /nfs/dbraw/zinc/84/74/12/1356847412.db2.gz PNKAXPSCXVYYPI-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]CCOC1CCCCCC1 ZINC001674748026 1356888360 /nfs/dbraw/zinc/88/83/60/1356888360.db2.gz MVWBQUPJQZMOBR-LSDHHAIUSA-N 2 2 336.480 2.174 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C)CC[NH2+]CCc2ccnn2C)c(C)[nH+]1 ZINC001699118548 1405273557 /nfs/dbraw/zinc/27/35/57/1405273557.db2.gz DZBCTKMDFVIEHG-AWEZNQCLSA-N 2 2 343.475 2.081 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)Cc1[nH]cc[nH+]1 ZINC001699540435 1405378037 /nfs/dbraw/zinc/37/80/37/1405378037.db2.gz AIYODPGLKBTTCH-MRXNPFEDSA-N 2 2 330.407 2.217 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)CCc1c[nH+]cn1C ZINC001699549348 1405384410 /nfs/dbraw/zinc/38/44/10/1405384410.db2.gz DIDHDMOOWHUGKA-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CCCOc1ccccc1 ZINC001699761280 1405471071 /nfs/dbraw/zinc/47/10/71/1405471071.db2.gz GBGPGLQDXJBKMP-INIZCTEOSA-N 2 2 342.443 2.002 10 0 EEAELP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000912683264 788294891 /nfs/dbraw/zinc/29/48/91/788294891.db2.gz HRBZNDAHUHKKHW-GOSISDBHSA-N 2 2 341.459 2.209 10 0 EEAELP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000912683264 788294896 /nfs/dbraw/zinc/29/48/96/788294896.db2.gz HRBZNDAHUHKKHW-GOSISDBHSA-N 2 2 341.459 2.209 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COc1ccccc1C(F)(F)F ZINC000923399674 789498776 /nfs/dbraw/zinc/49/87/76/789498776.db2.gz RGJOFYGPROXPLX-SWLSCSKDSA-N 2 2 344.377 2.319 10 0 EEAELP C[C@]1(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C[C@]1(F)Cl ZINC000846040610 790034285 /nfs/dbraw/zinc/03/42/85/790034285.db2.gz VVSAOCYFXCPNPZ-DLBZAZTESA-N 2 2 347.906 2.077 10 0 EEAELP C[C@]1(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C[C@]1(F)Cl ZINC000846040610 790034286 /nfs/dbraw/zinc/03/42/86/790034286.db2.gz VVSAOCYFXCPNPZ-DLBZAZTESA-N 2 2 347.906 2.077 10 0 EEAELP CCON(C)C(=O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000846065977 790050774 /nfs/dbraw/zinc/05/07/74/790050774.db2.gz YWQHSRFYARCJFB-INIZCTEOSA-N 2 2 333.476 2.082 10 0 EEAELP C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000716071616 795598274 /nfs/dbraw/zinc/59/82/74/795598274.db2.gz KTTGVWIODWFJOO-VFPGXZCRSA-N 2 2 336.501 2.062 10 0 EEAELP C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000716071616 795598279 /nfs/dbraw/zinc/59/82/79/795598279.db2.gz KTTGVWIODWFJOO-VFPGXZCRSA-N 2 2 336.501 2.062 10 0 EEAELP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921860582 797692665 /nfs/dbraw/zinc/69/26/65/797692665.db2.gz SHTNDSGTCPKVNK-MOPGFXCFSA-N 2 2 332.492 2.466 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccsc1 ZINC001566467785 1125627506 /nfs/dbraw/zinc/62/75/06/1125627506.db2.gz ICJRSPVUQLFLBB-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1ccsc1 ZINC001566467785 1125627508 /nfs/dbraw/zinc/62/75/08/1125627508.db2.gz ICJRSPVUQLFLBB-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP Cc1ccc(C)c(C[N@@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001566508616 1125678361 /nfs/dbraw/zinc/67/83/61/1125678361.db2.gz KNLQADMJXPRDHL-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP Cc1ccc(C)c(C[N@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001566508616 1125678365 /nfs/dbraw/zinc/67/83/65/1125678365.db2.gz KNLQADMJXPRDHL-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)CCc2c[nH+]cn2C)cc1F ZINC001566512759 1125683098 /nfs/dbraw/zinc/68/30/98/1125683098.db2.gz DDQPLDMMCXXMEM-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)CCc2c[nH+]cn2C)cc1F ZINC001566512759 1125683101 /nfs/dbraw/zinc/68/31/01/1125683101.db2.gz DDQPLDMMCXXMEM-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](Cc1ccc(Cl)s1)C1CC1 ZINC001437821365 1090414267 /nfs/dbraw/zinc/41/42/67/1090414267.db2.gz JNOFBTSWCFVKDQ-UHFFFAOYSA-N 2 2 338.864 2.379 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](Cc1ccc(Cl)s1)C1CC1 ZINC001437821365 1090414268 /nfs/dbraw/zinc/41/42/68/1090414268.db2.gz JNOFBTSWCFVKDQ-UHFFFAOYSA-N 2 2 338.864 2.379 10 0 EEAELP CCCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001437889376 1090468395 /nfs/dbraw/zinc/46/83/95/1090468395.db2.gz HMBPREOAHKYZJR-KRWDZBQOSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001437889376 1090468397 /nfs/dbraw/zinc/46/83/97/1090468397.db2.gz HMBPREOAHKYZJR-KRWDZBQOSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C1CCC1)[C@H]1CC[NH+](Cc2nocc2C)C1 ZINC001437889376 1090468399 /nfs/dbraw/zinc/46/83/99/1090468399.db2.gz HMBPREOAHKYZJR-KRWDZBQOSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C1CCC1)[C@H]1CC[NH+](Cc2nocc2C)C1 ZINC001437889376 1090468400 /nfs/dbraw/zinc/46/84/00/1090468400.db2.gz HMBPREOAHKYZJR-KRWDZBQOSA-N 2 2 348.491 2.280 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCC1C[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001438118236 1090649770 /nfs/dbraw/zinc/64/97/70/1090649770.db2.gz IGWSSPYGGODKLG-ZDUSSCGKSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCC1C[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001438118236 1090649772 /nfs/dbraw/zinc/64/97/72/1090649772.db2.gz IGWSSPYGGODKLG-ZDUSSCGKSA-N 2 2 340.418 2.216 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)CC[C@@H]3CCC[NH+]3C)C2)oc1C ZINC001438228625 1090708182 /nfs/dbraw/zinc/70/81/82/1090708182.db2.gz AFULVMIZNCEQQS-DLBZAZTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC[C@@H]3CCC[NH+]3C)C2)oc1C ZINC001438228625 1090708189 /nfs/dbraw/zinc/70/81/89/1090708189.db2.gz AFULVMIZNCEQQS-DLBZAZTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)oc1C ZINC001438228625 1090708192 /nfs/dbraw/zinc/70/81/92/1090708192.db2.gz AFULVMIZNCEQQS-DLBZAZTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@H](N(C)C(=O)CC[C@@H]3CCC[N@H+]3C)C2)oc1C ZINC001438228625 1090708196 /nfs/dbraw/zinc/70/81/96/1090708196.db2.gz AFULVMIZNCEQQS-DLBZAZTESA-N 2 2 348.491 2.199 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(C)cc1 ZINC001438331641 1090803438 /nfs/dbraw/zinc/80/34/38/1090803438.db2.gz BMLAGVKUGUMJES-MSOLQXFVSA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@H](OC)C1CCC1 ZINC001438343580 1090820687 /nfs/dbraw/zinc/82/06/87/1090820687.db2.gz NUIRSQYIWJJHEI-YJBOKZPZSA-N 2 2 344.459 2.476 10 0 EEAELP C[C@H](C[NH2+]C/C(Cl)=C/Cl)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001438688270 1091189334 /nfs/dbraw/zinc/18/93/34/1091189334.db2.gz IYZAHZIZLHWVKS-WITBJAHHSA-N 2 2 345.274 2.279 10 0 EEAELP CC(C)[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1nccs1 ZINC001438830277 1091450176 /nfs/dbraw/zinc/45/01/76/1091450176.db2.gz CZBBZHNMMLPATA-KBPBESRZSA-N 2 2 335.477 2.221 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C(C)C)o1 ZINC001439113798 1091759502 /nfs/dbraw/zinc/75/95/02/1091759502.db2.gz AMUOVRUDQDSGBK-CABCVRRESA-N 2 2 336.480 2.267 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C(C)C)o1 ZINC001439113798 1091759506 /nfs/dbraw/zinc/75/95/06/1091759506.db2.gz AMUOVRUDQDSGBK-CABCVRRESA-N 2 2 336.480 2.267 10 0 EEAELP CC(C)c1ocnc1C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001439396817 1092149175 /nfs/dbraw/zinc/14/91/75/1092149175.db2.gz HJNHYISMSRPTJG-LSDHHAIUSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001439396817 1092149180 /nfs/dbraw/zinc/14/91/80/1092149180.db2.gz HJNHYISMSRPTJG-LSDHHAIUSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001439396817 1092149184 /nfs/dbraw/zinc/14/91/84/1092149184.db2.gz HJNHYISMSRPTJG-LSDHHAIUSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001439396817 1092149188 /nfs/dbraw/zinc/14/91/88/1092149188.db2.gz HJNHYISMSRPTJG-LSDHHAIUSA-N 2 2 336.480 2.076 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1C[NH2+]C/C(Cl)=C\Cl ZINC001439418846 1092186897 /nfs/dbraw/zinc/18/68/97/1092186897.db2.gz MLVPALYRUVWEDA-WJFUUDCUSA-N 2 2 345.274 2.467 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)oc1C ZINC001446269495 1092416606 /nfs/dbraw/zinc/41/66/06/1092416606.db2.gz XUHRCFLOBASKMX-HZPDHXFCSA-N 2 2 348.491 2.150 10 0 EEAELP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001439935684 1093027401 /nfs/dbraw/zinc/02/74/01/1093027401.db2.gz UVYJIWKGBVZOFY-APWZRJJASA-N 2 2 332.492 2.464 10 0 EEAELP CCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001439935684 1093027407 /nfs/dbraw/zinc/02/74/07/1093027407.db2.gz UVYJIWKGBVZOFY-APWZRJJASA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001448486012 1093510849 /nfs/dbraw/zinc/51/08/49/1093510849.db2.gz WZXOORLHZDHNIO-QGZVFWFLSA-N 2 2 348.491 2.059 10 0 EEAELP CC(C)CCC[NH+]1CC2(C1)C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)CO2 ZINC001440510833 1093756570 /nfs/dbraw/zinc/75/65/70/1093756570.db2.gz NWJBLQDFMMWFIS-DLBZAZTESA-N 2 2 348.491 2.230 10 0 EEAELP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001448714310 1093785926 /nfs/dbraw/zinc/78/59/26/1093785926.db2.gz YCARBIQDUAUMCI-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001448714310 1093785936 /nfs/dbraw/zinc/78/59/36/1093785936.db2.gz YCARBIQDUAUMCI-WMZOPIPTSA-N 2 2 339.524 2.112 10 0 EEAELP CCC1([NH2+]C/C=C/Cl)CCN(C(=O)CCc2[nH+]ccn2C)CC1 ZINC001440530967 1093790293 /nfs/dbraw/zinc/79/02/93/1093790293.db2.gz SLWZYENICIIFFA-RUDMXATFSA-N 2 2 338.883 2.466 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2[nH+]ccn2C)cc1F ZINC001440819388 1094072431 /nfs/dbraw/zinc/07/24/31/1094072431.db2.gz WMULCRXHVKVICA-GJZGRUSLSA-N 2 2 346.450 2.483 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001440832963 1094085532 /nfs/dbraw/zinc/08/55/32/1094085532.db2.gz KIEUJUTVUSQMLN-MNOVXSKESA-N 2 2 338.814 2.428 10 0 EEAELP CC(C)C[NH+]1CCC(C2(NC(=O)CCc3c[nH+]cn3C)CC2)CC1 ZINC001449406820 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PFTRIYCAUQZIDL-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001442209971 1096498706 /nfs/dbraw/zinc/49/87/06/1096498706.db2.gz PFTRIYCAUQZIDL-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001443230839 1097692027 /nfs/dbraw/zinc/69/20/27/1097692027.db2.gz AOBUROGAUFTDRB-IRXDYDNUSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001443230839 1097692028 /nfs/dbraw/zinc/69/20/28/1097692028.db2.gz AOBUROGAUFTDRB-IRXDYDNUSA-N 2 2 332.492 2.320 10 0 EEAELP C[N@H+](C/C=C/Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001443336832 1097851258 /nfs/dbraw/zinc/85/12/58/1097851258.db2.gz SQMKUIMSINZSDW-YHTQDMPISA-N 2 2 336.867 2.436 10 0 EEAELP C[N@@H+](C/C=C/Cl)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001443336832 1097851263 /nfs/dbraw/zinc/85/12/63/1097851263.db2.gz SQMKUIMSINZSDW-YHTQDMPISA-N 2 2 336.867 2.436 10 0 EEAELP 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O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001471798214 1110531248 /nfs/dbraw/zinc/53/12/48/1110531248.db2.gz KKWNAKKIQAEQLQ-KSSFIOAISA-N 2 2 342.443 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001479410447 1110693145 /nfs/dbraw/zinc/69/31/45/1110693145.db2.gz HGEINMGOFLODOR-KOMQPUFPSA-N 2 2 330.476 2.325 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001499480451 1112311727 /nfs/dbraw/zinc/31/17/27/1112311727.db2.gz GXJLTBOJMLVZID-DLBZAZTESA-N 2 2 348.491 2.082 10 0 EEAELP COCCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001499480451 1112311732 /nfs/dbraw/zinc/31/17/32/1112311732.db2.gz GXJLTBOJMLVZID-DLBZAZTESA-N 2 2 348.491 2.082 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001499480452 1112312106 /nfs/dbraw/zinc/31/21/06/1112312106.db2.gz GXJLTBOJMLVZID-IAGOWNOFSA-N 2 2 348.491 2.082 10 0 EEAELP COCCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001499480452 1112312115 /nfs/dbraw/zinc/31/21/15/1112312115.db2.gz GXJLTBOJMLVZID-IAGOWNOFSA-N 2 2 348.491 2.082 10 0 EEAELP C[C@]1(C[NH2+]CCCCC(F)(F)F)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001500405939 1112807832 /nfs/dbraw/zinc/80/78/32/1112807832.db2.gz CUFWWZOZIBPONM-OAHLLOKOSA-N 2 2 346.397 2.444 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1c2ccccc2CC[N@H+]1CC1CCC1 ZINC001503691303 1113900003 /nfs/dbraw/zinc/90/00/03/1113900003.db2.gz LULDRFVTXXSTTL-LJQANCHMSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1c2ccccc2CC[N@@H+]1CC1CCC1 ZINC001503691303 1113900007 /nfs/dbraw/zinc/90/00/07/1113900007.db2.gz LULDRFVTXXSTTL-LJQANCHMSA-N 2 2 338.455 2.399 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc3coc(C)n3)ccn12 ZINC001505607050 1114081631 /nfs/dbraw/zinc/08/16/31/1114081631.db2.gz ZMNMAKZNLWQFPY-CHWSQXEVSA-N 2 2 341.415 2.236 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCC2CCOCC2)CCCCC1 ZINC001506519514 1114668858 /nfs/dbraw/zinc/66/88/58/1114668858.db2.gz CCGGZAGUAYWZTH-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP CCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001506842893 1114906869 /nfs/dbraw/zinc/90/68/69/1114906869.db2.gz XURJAXOZIWMJBF-DOTOQJQBSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H](C[NH2+]Cc1cscn1)C1CC1)n1cc[nH+]c1 ZINC001507027831 1115065192 /nfs/dbraw/zinc/06/51/92/1115065192.db2.gz STWPRJGCQKRIGF-XJKSGUPXSA-N 2 2 347.488 2.318 10 0 EEAELP Cc1ncc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001507326397 1115193988 /nfs/dbraw/zinc/19/39/88/1115193988.db2.gz UWWHLYWCIUEFAT-XJKSGUPXSA-N 2 2 345.447 2.047 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C(C)(C)C)s1 ZINC001508029432 1115393535 /nfs/dbraw/zinc/39/35/35/1115393535.db2.gz RFCABKWUJCIDEA-HNNXBMFYSA-N 2 2 349.504 2.346 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NCC1=CC[NH+](CCF)CC1)c1ccccc1 ZINC001508227613 1115453661 /nfs/dbraw/zinc/45/36/61/1115453661.db2.gz OPIFJRFSYRXDIW-GOSISDBHSA-N 2 2 333.451 2.397 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)NCC1=CC[NH+](CCF)CC1)c1ccccc1 ZINC001508227613 1115453662 /nfs/dbraw/zinc/45/36/62/1115453662.db2.gz OPIFJRFSYRXDIW-GOSISDBHSA-N 2 2 333.451 2.397 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NCC1=CC[N@H+](CCF)CC1)c1ccccc1 ZINC001508227613 1115453663 /nfs/dbraw/zinc/45/36/63/1115453663.db2.gz OPIFJRFSYRXDIW-GOSISDBHSA-N 2 2 333.451 2.397 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NCC1=CC[N@@H+](CCF)CC1)c1ccccc1 ZINC001508227613 1115453664 /nfs/dbraw/zinc/45/36/64/1115453664.db2.gz OPIFJRFSYRXDIW-GOSISDBHSA-N 2 2 333.451 2.397 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001508231036 1115455700 /nfs/dbraw/zinc/45/57/00/1115455700.db2.gz WJXVZOZURJCZAI-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001508231036 1115455704 /nfs/dbraw/zinc/45/57/04/1115455704.db2.gz WJXVZOZURJCZAI-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC001529786667 1121593940 /nfs/dbraw/zinc/59/39/40/1121593940.db2.gz YUCFFBBXZCTJBF-UHFFFAOYSA-N 2 2 331.339 2.100 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1(C[NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001568000301 1124223411 /nfs/dbraw/zinc/22/34/11/1124223411.db2.gz NHFTUJGUIJETBD-QGZVFWFLSA-N 2 2 348.491 2.320 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1(C[NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001568000301 1124223412 /nfs/dbraw/zinc/22/34/12/1124223412.db2.gz NHFTUJGUIJETBD-QGZVFWFLSA-N 2 2 348.491 2.320 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568282247 1124402735 /nfs/dbraw/zinc/40/27/35/1124402735.db2.gz GACZEOPHFHMSDX-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCCCC(F)(F)F ZINC001568372167 1124443699 /nfs/dbraw/zinc/44/36/99/1124443699.db2.gz RYMMWMZXKDEIQV-UONOGXRCSA-N 2 2 346.397 2.442 10 0 EEAELP CCN(CC[NH2+]Cc1ccncc1Cl)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001568791324 1124802869 /nfs/dbraw/zinc/80/28/69/1124802869.db2.gz FIWALIRKLSVZRL-UHFFFAOYSA-N 2 2 349.866 2.374 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001569064951 1125074941 /nfs/dbraw/zinc/07/49/41/1125074941.db2.gz BYOGCLSKNOQWAL-FUHWJXTLSA-N 2 2 340.471 2.091 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001569065416 1125076282 /nfs/dbraw/zinc/07/62/82/1125076282.db2.gz KPXXSBSSILSZMO-VSLUYMRVSA-N 2 2 338.455 2.253 10 0 EEAELP Cc1ncsc1C[NH2+]CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001569244674 1125190472 /nfs/dbraw/zinc/19/04/72/1125190472.db2.gz YBBRHKIILUCFDI-CYBMUJFWSA-N 2 2 335.477 2.237 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC(=O)OC)C2CC2)CC1 ZINC000355130755 283349362 /nfs/dbraw/zinc/34/93/62/283349362.db2.gz HRAVNZZSEMQOEY-UHFFFAOYSA-N 2 2 345.487 2.356 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC(=O)OC)C2CC2)CC1 ZINC000355130755 283349364 /nfs/dbraw/zinc/34/93/64/283349364.db2.gz HRAVNZZSEMQOEY-UHFFFAOYSA-N 2 2 345.487 2.356 10 0 EEAELP COc1ccc([C@H](NCC[N@@H+]2CCOCC2(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422702478 240183904 /nfs/dbraw/zinc/18/39/04/240183904.db2.gz FFIAFOLCNJSZEO-OALUTQOASA-N 2 2 347.503 2.189 10 0 EEAELP COc1ccc([C@H](NCC[N@H+]2CCOCC2(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422702478 240183913 /nfs/dbraw/zinc/18/39/13/240183913.db2.gz FFIAFOLCNJSZEO-OALUTQOASA-N 2 2 347.503 2.189 10 0 EEAELP FC(F)(F)CN1CCC(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422817964 240246309 /nfs/dbraw/zinc/24/63/09/240246309.db2.gz IXLZETOYKIABJT-CVEARBPZSA-N 2 2 349.441 2.007 10 0 EEAELP CCCCNC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422945582 240304073 /nfs/dbraw/zinc/30/40/73/240304073.db2.gz UZRZZAPVEMEPLV-OALUTQOASA-N 2 2 345.487 2.073 10 0 EEAELP CC(C)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438496608 242022764 /nfs/dbraw/zinc/02/27/64/242022764.db2.gz UTKKPAKEIBBYHV-LJQANCHMSA-N 2 2 329.488 2.309 10 0 EEAELP CC(C)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438496608 242022769 /nfs/dbraw/zinc/02/27/69/242022769.db2.gz UTKKPAKEIBBYHV-LJQANCHMSA-N 2 2 329.488 2.309 10 0 EEAELP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110512214 220041753 /nfs/dbraw/zinc/04/17/53/220041753.db2.gz OYKUWKHBIAXRMH-UHFFFAOYSA-N 2 2 339.443 2.258 10 0 EEAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000453254845 285118591 /nfs/dbraw/zinc/11/85/91/285118591.db2.gz FEZCYRJSWQFNBQ-SJLPKXTDSA-N 2 2 336.476 2.209 10 0 EEAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000453254845 285118592 /nfs/dbraw/zinc/11/85/92/285118592.db2.gz FEZCYRJSWQFNBQ-SJLPKXTDSA-N 2 2 336.476 2.209 10 0 EEAELP CC[N@H+](CC(=O)OC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271151537 256213477 /nfs/dbraw/zinc/21/34/77/256213477.db2.gz LEDDMYNIQKCBDC-UHFFFAOYSA-N 2 2 333.476 2.212 10 0 EEAELP CC[N@@H+](CC(=O)OC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271151537 256213479 /nfs/dbraw/zinc/21/34/79/256213479.db2.gz LEDDMYNIQKCBDC-UHFFFAOYSA-N 2 2 333.476 2.212 10 0 EEAELP C[NH+]1CCN(C(=O)C[NH+]2CCC(c3c[nH]c4ccccc43)CC2)CC1 ZINC000120457120 142389737 /nfs/dbraw/zinc/38/97/37/142389737.db2.gz WTAXFJXXHNHSNS-UHFFFAOYSA-N 2 2 340.471 2.121 10 0 EEAELP CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000120609880 142394899 /nfs/dbraw/zinc/39/48/99/142394899.db2.gz GONLUSNEGUIXHV-UONOGXRCSA-N 2 2 331.420 2.496 10 0 EEAELP CCO[C@@H](C)c1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000120609880 142394902 /nfs/dbraw/zinc/39/49/02/142394902.db2.gz GONLUSNEGUIXHV-UONOGXRCSA-N 2 2 331.420 2.496 10 0 EEAELP C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1=CC[N@H+](C)CC1 ZINC000360984622 152271176 /nfs/dbraw/zinc/27/11/76/152271176.db2.gz LXSGORHHXNFVIW-HNNXBMFYSA-N 2 2 343.475 2.000 10 0 EEAELP C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000360984622 152271179 /nfs/dbraw/zinc/27/11/79/152271179.db2.gz LXSGORHHXNFVIW-HNNXBMFYSA-N 2 2 343.475 2.000 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccoc1C(F)(F)F ZINC000357771668 153338096 /nfs/dbraw/zinc/33/80/96/153338096.db2.gz KDUOAOFCXPIZNM-UHFFFAOYSA-N 2 2 347.381 2.396 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccoc1C(F)(F)F ZINC000357771668 153338100 /nfs/dbraw/zinc/33/81/00/153338100.db2.gz KDUOAOFCXPIZNM-UHFFFAOYSA-N 2 2 347.381 2.396 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374206959 154003596 /nfs/dbraw/zinc/00/35/96/154003596.db2.gz GZGWHVIOGJBDPB-UHFFFAOYSA-N 2 2 342.443 2.256 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)c2cc1C ZINC000374246848 154017520 /nfs/dbraw/zinc/01/75/20/154017520.db2.gz BWLFCCWNUCXVHJ-IWRZSDRUSA-N 2 2 343.471 2.107 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)c2cc1C ZINC000374246848 154017522 /nfs/dbraw/zinc/01/75/22/154017522.db2.gz BWLFCCWNUCXVHJ-IWRZSDRUSA-N 2 2 343.471 2.107 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@H]1n1cc[nH+]c1 ZINC000252656382 160392485 /nfs/dbraw/zinc/39/24/85/160392485.db2.gz CZJDEMPESWTJTG-GXTWGEPZSA-N 2 2 333.823 2.453 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@H]1n1cc[nH+]c1 ZINC000252656382 160392486 /nfs/dbraw/zinc/39/24/86/160392486.db2.gz CZJDEMPESWTJTG-GXTWGEPZSA-N 2 2 333.823 2.453 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]21 ZINC000246751851 160293315 /nfs/dbraw/zinc/29/33/15/160293315.db2.gz HFWZIWNSRUOXTP-CXAGYDPISA-N 2 2 328.412 2.415 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]21 ZINC000246751851 160293316 /nfs/dbraw/zinc/29/33/16/160293316.db2.gz HFWZIWNSRUOXTP-CXAGYDPISA-N 2 2 328.412 2.415 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]21 ZINC000246751851 160293317 /nfs/dbraw/zinc/29/33/17/160293317.db2.gz HFWZIWNSRUOXTP-CXAGYDPISA-N 2 2 328.412 2.415 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(=O)oc4cc(O)ccc34)CC[C@H]21 ZINC000246751851 160293318 /nfs/dbraw/zinc/29/33/18/160293318.db2.gz HFWZIWNSRUOXTP-CXAGYDPISA-N 2 2 328.412 2.415 10 0 EEAELP C[C@@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000247232440 160316242 /nfs/dbraw/zinc/31/62/42/160316242.db2.gz DCCXUSAALDQNPO-LPHOPBHVSA-N 2 2 327.472 2.130 10 0 EEAELP C[C@@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000247232440 160316243 /nfs/dbraw/zinc/31/62/43/160316243.db2.gz DCCXUSAALDQNPO-LPHOPBHVSA-N 2 2 327.472 2.130 10 0 EEAELP C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247232440 160316244 /nfs/dbraw/zinc/31/62/44/160316244.db2.gz DCCXUSAALDQNPO-LPHOPBHVSA-N 2 2 327.472 2.130 10 0 EEAELP C[C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247232440 160316245 /nfs/dbraw/zinc/31/62/45/160316245.db2.gz DCCXUSAALDQNPO-LPHOPBHVSA-N 2 2 327.472 2.130 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000247531896 160327551 /nfs/dbraw/zinc/32/75/51/160327551.db2.gz ZYHVFQBHQFVRSG-NVXWUHKLSA-N 2 2 345.491 2.210 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000247531896 160327552 /nfs/dbraw/zinc/32/75/52/160327552.db2.gz ZYHVFQBHQFVRSG-NVXWUHKLSA-N 2 2 345.491 2.210 10 0 EEAELP C[C@H]1CCC[C@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000342084519 161038304 /nfs/dbraw/zinc/03/83/04/161038304.db2.gz BCPDTCHJVUTZEV-ZWKKMZQASA-N 2 2 348.535 2.375 10 0 EEAELP C[C@H]1CCC[C@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000342084519 161038305 /nfs/dbraw/zinc/03/83/05/161038305.db2.gz BCPDTCHJVUTZEV-ZWKKMZQASA-N 2 2 348.535 2.375 10 0 EEAELP CC[N@@H+]1C[C@H](C)N(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H]1C ZINC000345750644 161328798 /nfs/dbraw/zinc/32/87/98/161328798.db2.gz AZUXRQKQIJPWLH-RYUDHWBXSA-N 2 2 347.385 2.070 10 0 EEAELP CC[N@H+]1C[C@H](C)N(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@@H]1C ZINC000345750644 161328799 /nfs/dbraw/zinc/32/87/99/161328799.db2.gz AZUXRQKQIJPWLH-RYUDHWBXSA-N 2 2 347.385 2.070 10 0 EEAELP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368102764 166051783 /nfs/dbraw/zinc/05/17/83/166051783.db2.gz PQBJQOYFLOECKP-UONOGXRCSA-N 2 2 333.457 2.027 10 0 EEAELP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368102764 166051786 /nfs/dbraw/zinc/05/17/86/166051786.db2.gz PQBJQOYFLOECKP-UONOGXRCSA-N 2 2 333.457 2.027 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@H](Cc2ccc(F)cc2)C(N)=O)c[nH+]1 ZINC000361795548 164504287 /nfs/dbraw/zinc/50/42/87/164504287.db2.gz DKHPYPONJULFBF-KRWDZBQOSA-N 2 2 329.419 2.396 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000369393643 166251363 /nfs/dbraw/zinc/25/13/63/166251363.db2.gz NPGPYYLFYMAMNB-YTQUADARSA-N 2 2 342.487 2.010 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000369393643 166251366 /nfs/dbraw/zinc/25/13/66/166251366.db2.gz NPGPYYLFYMAMNB-YTQUADARSA-N 2 2 342.487 2.010 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000374051463 167009870 /nfs/dbraw/zinc/00/98/70/167009870.db2.gz NVKMRNCPMRPZDY-ZSXHRAQDSA-N 2 2 341.499 2.321 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)[C@H]1c1ccccc1 ZINC000374051463 167009873 /nfs/dbraw/zinc/00/98/73/167009873.db2.gz NVKMRNCPMRPZDY-ZSXHRAQDSA-N 2 2 341.499 2.321 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1(C)C ZINC000245963273 292597140 /nfs/dbraw/zinc/59/71/40/292597140.db2.gz YPXOWJQKBYXCJE-QLFBSQMISA-N 2 2 333.480 2.280 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123726789 222323642 /nfs/dbraw/zinc/32/36/42/222323642.db2.gz SMAIYWAMHPMYGX-JYJNAYRXSA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123726789 222323646 /nfs/dbraw/zinc/32/36/46/222323646.db2.gz SMAIYWAMHPMYGX-JYJNAYRXSA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123726789 222323649 /nfs/dbraw/zinc/32/36/49/222323649.db2.gz SMAIYWAMHPMYGX-JYJNAYRXSA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123726789 222323653 /nfs/dbraw/zinc/32/36/53/222323653.db2.gz SMAIYWAMHPMYGX-JYJNAYRXSA-N 2 2 333.476 2.287 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000280320126 269351246 /nfs/dbraw/zinc/35/12/46/269351246.db2.gz QHAMGTPEKQTGIP-OAHLLOKOSA-N 2 2 346.393 2.481 10 0 EEAELP COCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C1 ZINC000280320126 269351247 /nfs/dbraw/zinc/35/12/47/269351247.db2.gz QHAMGTPEKQTGIP-OAHLLOKOSA-N 2 2 346.393 2.481 10 0 EEAELP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101730 274161651 /nfs/dbraw/zinc/16/16/51/274161651.db2.gz KZGUKJJRHRZNCG-OLZOCXBDSA-N 2 2 328.416 2.283 10 0 EEAELP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101730 274161652 /nfs/dbraw/zinc/16/16/52/274161652.db2.gz KZGUKJJRHRZNCG-OLZOCXBDSA-N 2 2 328.416 2.283 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423749517 290248907 /nfs/dbraw/zinc/24/89/07/290248907.db2.gz VWIJYVKNDSNWQO-RKVPGOIHSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246186735 290271092 /nfs/dbraw/zinc/27/10/92/290271092.db2.gz CRNBWIWRIDAATM-RWQQGDIJSA-N 2 2 342.487 2.208 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000296617732 294022826 /nfs/dbraw/zinc/02/28/26/294022826.db2.gz KORLUQCYJJJCIV-DOTOQJQBSA-N 2 2 341.459 2.223 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000296617732 294022830 /nfs/dbraw/zinc/02/28/30/294022830.db2.gz KORLUQCYJJJCIV-DOTOQJQBSA-N 2 2 341.459 2.223 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000297554010 294278184 /nfs/dbraw/zinc/27/81/84/294278184.db2.gz VMFGSEGCNGLPRY-HNNXBMFYSA-N 2 2 341.459 2.149 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000297554010 294278187 /nfs/dbraw/zinc/27/81/87/294278187.db2.gz VMFGSEGCNGLPRY-HNNXBMFYSA-N 2 2 341.459 2.149 10 0 EEAELP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCCn2cc[nH+]c21 ZINC000176014506 303757636 /nfs/dbraw/zinc/75/76/36/303757636.db2.gz GHLYEVNVHXBUEC-OAHLLOKOSA-N 2 2 348.516 2.238 10 0 EEAELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCCC[NH2+]C1 ZINC000333158071 312102926 /nfs/dbraw/zinc/10/29/26/312102926.db2.gz NIQBSDFAMAIGGW-CYBMUJFWSA-N 2 2 337.493 2.393 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000341410377 312261116 /nfs/dbraw/zinc/26/11/16/312261116.db2.gz XCKLYTLKLNNHLL-HZPDHXFCSA-N 2 2 333.480 2.446 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccccc2C(=O)N(C)C)CC1 ZINC000418046569 313699238 /nfs/dbraw/zinc/69/92/38/313699238.db2.gz PCJYNLIZZGIQKZ-UHFFFAOYSA-N 2 2 338.455 2.414 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000419754419 313924042 /nfs/dbraw/zinc/92/40/42/313924042.db2.gz AJCGPOWBJKOCDO-UHFFFAOYSA-N 3 2 347.894 2.158 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCc1c(F)cccc1F ZINC000434987575 314877590 /nfs/dbraw/zinc/87/75/90/314877590.db2.gz VBWVXEPVIKNBKM-UHFFFAOYSA-N 2 2 348.397 2.226 10 0 EEAELP Cn1c[nH+]cc1Cc1noc([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000546556313 318252882 /nfs/dbraw/zinc/25/28/82/318252882.db2.gz YSEYZDOUZJKPBL-HNNXBMFYSA-N 2 2 338.415 2.169 10 0 EEAELP Cn1c[nH+]cc1Cc1noc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)n1 ZINC000546556313 318252884 /nfs/dbraw/zinc/25/28/84/318252884.db2.gz YSEYZDOUZJKPBL-HNNXBMFYSA-N 2 2 338.415 2.169 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(CF)CCC3)CC2)CC1 ZINC000564215629 319073113 /nfs/dbraw/zinc/07/31/13/319073113.db2.gz WKHKOBQXMHLIKY-UHFFFAOYSA-N 2 2 325.472 2.145 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(CF)CCC3)CC2)CC1 ZINC000564215629 319073116 /nfs/dbraw/zinc/07/31/16/319073116.db2.gz WKHKOBQXMHLIKY-UHFFFAOYSA-N 2 2 325.472 2.145 10 0 EEAELP COc1cc(C[NH2+]CCC[NH+]2CCC2)cc(Br)c1O ZINC000565219334 319163683 /nfs/dbraw/zinc/16/36/83/319163683.db2.gz WPHDHPREWZLNHF-UHFFFAOYSA-N 2 2 329.238 2.349 10 0 EEAELP COc1cncc(/C=C\CC[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000566156457 319253375 /nfs/dbraw/zinc/25/33/75/319253375.db2.gz XAPNJDCQSQIXOJ-VEXQSBSHSA-N 2 2 331.460 2.148 10 0 EEAELP COc1cncc(/C=C\CC[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000566156457 319253377 /nfs/dbraw/zinc/25/33/77/319253377.db2.gz XAPNJDCQSQIXOJ-VEXQSBSHSA-N 2 2 331.460 2.148 10 0 EEAELP CC[N@H+](CCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC000623573383 450545487 /nfs/dbraw/zinc/54/54/87/450545487.db2.gz GNJHBIDHJJMENX-UHFFFAOYSA-N 2 2 348.495 2.104 10 0 EEAELP CC[N@@H+](CCNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1)C1CC1 ZINC000623573383 450545488 /nfs/dbraw/zinc/54/54/88/450545488.db2.gz GNJHBIDHJJMENX-UHFFFAOYSA-N 2 2 348.495 2.104 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000624150398 450725051 /nfs/dbraw/zinc/72/50/51/450725051.db2.gz GWPUVBJQURAPGI-UHFFFAOYSA-N 2 2 345.451 2.036 10 0 EEAELP Cc1nc(NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631037357 451545998 /nfs/dbraw/zinc/54/59/98/451545998.db2.gz FDDWQQDOFNPIMN-CQSZACIVSA-N 2 2 332.839 2.087 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479497 464247128 /nfs/dbraw/zinc/24/71/28/464247128.db2.gz DFMORIVDOJJBFC-HKUYNNGSSA-N 2 2 325.460 2.243 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479497 464247134 /nfs/dbraw/zinc/24/71/34/464247134.db2.gz DFMORIVDOJJBFC-HKUYNNGSSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479497 464247139 /nfs/dbraw/zinc/24/71/39/464247139.db2.gz DFMORIVDOJJBFC-HKUYNNGSSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479497 464247143 /nfs/dbraw/zinc/24/71/43/464247143.db2.gz DFMORIVDOJJBFC-HKUYNNGSSA-N 2 2 325.460 2.243 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000358311338 465050721 /nfs/dbraw/zinc/05/07/21/465050721.db2.gz YXOWUHODXNNXNI-IOASZLSFSA-N 2 2 330.394 2.396 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000358311338 465050728 /nfs/dbraw/zinc/05/07/28/465050728.db2.gz YXOWUHODXNNXNI-IOASZLSFSA-N 2 2 330.394 2.396 10 0 EEAELP CN(C)c1ccc(N[C@H]2CCC[N@H+](Cc3csnn3)CC2)c[nH+]1 ZINC000328630532 465079718 /nfs/dbraw/zinc/07/97/18/465079718.db2.gz JLKVXLJSGMMTFN-ZDUSSCGKSA-N 2 2 332.477 2.466 10 0 EEAELP CN(C)c1ccc(N[C@H]2CCC[N@@H+](Cc3csnn3)CC2)c[nH+]1 ZINC000328630532 465079723 /nfs/dbraw/zinc/07/97/23/465079723.db2.gz JLKVXLJSGMMTFN-ZDUSSCGKSA-N 2 2 332.477 2.466 10 0 EEAELP Cc1[nH+]cn(CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)c1C ZINC000113506167 462597997 /nfs/dbraw/zinc/59/79/97/462597997.db2.gz YMNTZNANSDZOSV-QGZVFWFLSA-N 2 2 326.444 2.405 10 0 EEAELP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC[NH+]2CCC2)CC1 ZINC000521370464 468306773 /nfs/dbraw/zinc/30/67/73/468306773.db2.gz USLIZANJIFOHHD-UHFFFAOYSA-N 3 2 336.911 2.277 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000052102209 463062008 /nfs/dbraw/zinc/06/20/08/463062008.db2.gz FBMIXUKJUWANLF-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000052102209 463062015 /nfs/dbraw/zinc/06/20/15/463062015.db2.gz FBMIXUKJUWANLF-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nnc1-c1ccccc1 ZINC000139935823 463334236 /nfs/dbraw/zinc/33/42/36/463334236.db2.gz PJSCACYSDLVQEV-SJORKVTESA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)nnc1-c1ccccc1 ZINC000139935823 463334239 /nfs/dbraw/zinc/33/42/39/463334239.db2.gz PJSCACYSDLVQEV-SJORKVTESA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nnc1-c1ccccc1 ZINC000139935823 463334240 /nfs/dbraw/zinc/33/42/40/463334240.db2.gz PJSCACYSDLVQEV-SJORKVTESA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nnc1-c1ccccc1 ZINC000139935823 463334241 /nfs/dbraw/zinc/33/42/41/463334241.db2.gz PJSCACYSDLVQEV-SJORKVTESA-N 2 2 325.460 2.398 10 0 EEAELP C[C@@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1=O ZINC000536537623 468355107 /nfs/dbraw/zinc/35/51/07/468355107.db2.gz BAUZCKBZFZNSHH-SJORKVTESA-N 2 2 349.519 2.058 10 0 EEAELP CCc1nnc2n1C[C@@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000071871886 463450251 /nfs/dbraw/zinc/45/02/51/463450251.db2.gz RMRLWTHNVLXUEP-MRXNPFEDSA-N 2 2 336.443 2.378 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2cccs2)C1 ZINC000105896382 463492881 /nfs/dbraw/zinc/49/28/81/463492881.db2.gz PCHHNZSZOXFBNG-CQSZACIVSA-N 2 2 332.473 2.460 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2cccs2)C1 ZINC000105896382 463492886 /nfs/dbraw/zinc/49/28/86/463492886.db2.gz PCHHNZSZOXFBNG-CQSZACIVSA-N 2 2 332.473 2.460 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000168417391 463665890 /nfs/dbraw/zinc/66/58/90/463665890.db2.gz WGSKCRDVHYDRND-GOSISDBHSA-N 2 2 338.455 2.315 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000168417286 463666118 /nfs/dbraw/zinc/66/61/18/463666118.db2.gz WGSKCRDVHYDRND-SFHVURJKSA-N 2 2 338.455 2.315 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000152376667 463681902 /nfs/dbraw/zinc/68/19/02/463681902.db2.gz KKIRYRFBAXIONO-SJORKVTESA-N 2 2 333.480 2.178 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000152376667 463681905 /nfs/dbraw/zinc/68/19/05/463681905.db2.gz KKIRYRFBAXIONO-SJORKVTESA-N 2 2 333.480 2.178 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177567119 463738336 /nfs/dbraw/zinc/73/83/36/463738336.db2.gz WCFYHEWMMGIZOL-KZNAEPCWSA-N 2 2 342.487 2.241 10 0 EEAELP CN(C(=O)NCCCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268486673 463762395 /nfs/dbraw/zinc/76/23/95/463762395.db2.gz KUPGYXXLPSXMFK-SFHVURJKSA-N 2 2 341.459 2.189 10 0 EEAELP CN(C(=O)NCCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268486673 463762398 /nfs/dbraw/zinc/76/23/98/463762398.db2.gz KUPGYXXLPSXMFK-SFHVURJKSA-N 2 2 341.459 2.189 10 0 EEAELP c1csc(-c2noc([C@H]3COCC[N@H+]3CC3CC[NH2+]CC3)n2)c1 ZINC000261671107 463821850 /nfs/dbraw/zinc/82/18/50/463821850.db2.gz GFXYEOYJROUVQQ-CYBMUJFWSA-N 2 2 334.445 2.171 10 0 EEAELP c1csc(-c2noc([C@H]3COCC[N@@H+]3CC3CC[NH2+]CC3)n2)c1 ZINC000261671107 463821858 /nfs/dbraw/zinc/82/18/58/463821858.db2.gz GFXYEOYJROUVQQ-CYBMUJFWSA-N 2 2 334.445 2.171 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(C)cc1 ZINC000178285804 463874585 /nfs/dbraw/zinc/87/45/85/463874585.db2.gz DCMWFELBVUTNLK-MSOLQXFVSA-N 2 2 329.444 2.404 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(C)cc1 ZINC000178285804 463874594 /nfs/dbraw/zinc/87/45/94/463874594.db2.gz DCMWFELBVUTNLK-MSOLQXFVSA-N 2 2 329.444 2.404 10 0 EEAELP Clc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cn2c1 ZINC000261915844 463899396 /nfs/dbraw/zinc/89/93/96/463899396.db2.gz JPORZDZAPPTDBW-XHSDSOJGSA-N 2 2 334.851 2.234 10 0 EEAELP COc1cccc(OCC[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000178605259 463928857 /nfs/dbraw/zinc/92/88/57/463928857.db2.gz JOTAHXKZKFNUMV-MRXNPFEDSA-N 2 2 334.460 2.259 10 0 EEAELP COc1cccc(OCC[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000178605259 463928860 /nfs/dbraw/zinc/92/88/60/463928860.db2.gz JOTAHXKZKFNUMV-MRXNPFEDSA-N 2 2 334.460 2.259 10 0 EEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000262694542 464038071 /nfs/dbraw/zinc/03/80/71/464038071.db2.gz AYNBRMHAIBREPD-OAHLLOKOSA-N 2 2 329.435 2.098 10 0 EEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000262694542 464038077 /nfs/dbraw/zinc/03/80/77/464038077.db2.gz AYNBRMHAIBREPD-OAHLLOKOSA-N 2 2 329.435 2.098 10 0 EEAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263309639 464082054 /nfs/dbraw/zinc/08/20/54/464082054.db2.gz YJLVSBIGUGMPHG-OAHLLOKOSA-N 2 2 325.403 2.094 10 0 EEAELP C[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1CCO ZINC000187269846 464111673 /nfs/dbraw/zinc/11/16/73/464111673.db2.gz QIXBARCHIVLBGZ-HNNXBMFYSA-N 2 2 341.411 2.013 10 0 EEAELP C[C@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1CCO ZINC000187269846 464111678 /nfs/dbraw/zinc/11/16/78/464111678.db2.gz QIXBARCHIVLBGZ-HNNXBMFYSA-N 2 2 341.411 2.013 10 0 EEAELP O[C@H](C[NH+]1CCN(Cc2cccc3[nH+]ccn32)CC1)c1ccccc1 ZINC000180083918 464238039 /nfs/dbraw/zinc/23/80/39/464238039.db2.gz IMVDZBOUILJISW-LJQANCHMSA-N 2 2 336.439 2.186 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236927461 464240462 /nfs/dbraw/zinc/24/04/62/464240462.db2.gz XDQSVGYMSQPWFK-SOUVJXGZSA-N 2 2 327.831 2.468 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236927461 464240466 /nfs/dbraw/zinc/24/04/66/464240466.db2.gz XDQSVGYMSQPWFK-SOUVJXGZSA-N 2 2 327.831 2.468 10 0 EEAELP C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1n1cc[nH+]c1 ZINC000272370149 464582107 /nfs/dbraw/zinc/58/21/07/464582107.db2.gz UHNIZYIUFZCUIZ-YOEHRIQHSA-N 2 2 336.399 2.187 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c[nH+]1 ZINC000247530758 464690753 /nfs/dbraw/zinc/69/07/53/464690753.db2.gz XMPYMMZXIRRKAM-NVXWUHKLSA-N 2 2 345.491 2.306 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c[nH+]1 ZINC000247530758 464690759 /nfs/dbraw/zinc/69/07/59/464690759.db2.gz XMPYMMZXIRRKAM-NVXWUHKLSA-N 2 2 345.491 2.306 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266765446 464814165 /nfs/dbraw/zinc/81/41/65/464814165.db2.gz HZKLKIPTJGTPBK-UHFFFAOYSA-N 2 2 330.436 2.284 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000298373268 465377310 /nfs/dbraw/zinc/37/73/10/465377310.db2.gz IOBJIGWCZHXVCM-UHFFFAOYSA-N 2 2 341.459 2.321 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000298373268 465377319 /nfs/dbraw/zinc/37/73/19/465377319.db2.gz IOBJIGWCZHXVCM-UHFFFAOYSA-N 2 2 341.459 2.321 10 0 EEAELP C[C@@H](C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1)[NH+]1CCSCC1 ZINC000356438946 465380689 /nfs/dbraw/zinc/38/06/89/465380689.db2.gz YFJVJILHJZKQCN-HNNXBMFYSA-N 2 2 339.549 2.218 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000579953482 468441558 /nfs/dbraw/zinc/44/15/58/468441558.db2.gz IEVPSXNSWCLSSY-UWVAXJGDSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000579953482 468441566 /nfs/dbraw/zinc/44/15/66/468441566.db2.gz IEVPSXNSWCLSSY-UWVAXJGDSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000344632765 465736815 /nfs/dbraw/zinc/73/68/15/465736815.db2.gz UNFLYEMDCYKWOG-SKDRFNHKSA-N 2 2 327.222 2.218 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000344632765 465736818 /nfs/dbraw/zinc/73/68/18/465736818.db2.gz UNFLYEMDCYKWOG-SKDRFNHKSA-N 2 2 327.222 2.218 10 0 EEAELP C[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(CC[C@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324688 465796672 /nfs/dbraw/zinc/79/66/72/465796672.db2.gz DLNLTPMIXFFSIB-WRURNZQNSA-N 3 2 334.552 2.104 10 0 EEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(CC[C@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324688 465796675 /nfs/dbraw/zinc/79/66/75/465796675.db2.gz DLNLTPMIXFFSIB-WRURNZQNSA-N 3 2 334.552 2.104 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(CC[C@H]3CCCC[N@@H+]3C)CC1)C2 ZINC000353324688 465796678 /nfs/dbraw/zinc/79/66/78/465796678.db2.gz DLNLTPMIXFFSIB-WRURNZQNSA-N 3 2 334.552 2.104 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(CC[C@H]3CCCC[N@H+]3C)CC1)C2 ZINC000353324688 465796681 /nfs/dbraw/zinc/79/66/81/465796681.db2.gz DLNLTPMIXFFSIB-WRURNZQNSA-N 3 2 334.552 2.104 10 0 EEAELP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC[C@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324688 465796685 /nfs/dbraw/zinc/79/66/85/465796685.db2.gz DLNLTPMIXFFSIB-WRURNZQNSA-N 3 2 334.552 2.104 10 0 EEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC[C@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324688 465796688 /nfs/dbraw/zinc/79/66/88/465796688.db2.gz DLNLTPMIXFFSIB-WRURNZQNSA-N 3 2 334.552 2.104 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC1)C2 ZINC000353324688 465796690 /nfs/dbraw/zinc/79/66/90/465796690.db2.gz DLNLTPMIXFFSIB-WRURNZQNSA-N 3 2 334.552 2.104 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC1)C2 ZINC000353324688 465796693 /nfs/dbraw/zinc/79/66/93/465796693.db2.gz DLNLTPMIXFFSIB-WRURNZQNSA-N 3 2 334.552 2.104 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCO[C@@H](C4CC4)C3)c2cc1C ZINC000362560984 465832357 /nfs/dbraw/zinc/83/23/57/465832357.db2.gz OKSRIBWGNCJGFB-QFBILLFUSA-N 2 2 329.444 2.125 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCO[C@@H](C4CC4)C3)c2cc1C ZINC000362560984 465832365 /nfs/dbraw/zinc/83/23/65/465832365.db2.gz OKSRIBWGNCJGFB-QFBILLFUSA-N 2 2 329.444 2.125 10 0 EEAELP Cc1ccncc1C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000361421691 465981217 /nfs/dbraw/zinc/98/12/17/465981217.db2.gz IDVQVMNRRZBZHS-IBGZPJMESA-N 2 2 340.471 2.241 10 0 EEAELP Cc1ccncc1C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000361421691 465981219 /nfs/dbraw/zinc/98/12/19/465981219.db2.gz IDVQVMNRRZBZHS-IBGZPJMESA-N 2 2 340.471 2.241 10 0 EEAELP COC(=O)[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000340619763 466215457 /nfs/dbraw/zinc/21/54/57/466215457.db2.gz LRMSKISFNSSRGF-GOSISDBHSA-N 2 2 332.444 2.201 10 0 EEAELP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357830431 466246363 /nfs/dbraw/zinc/24/63/63/466246363.db2.gz MWAMMUSAHNNTQZ-INIZCTEOSA-N 2 2 347.507 2.470 10 0 EEAELP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357830431 466246369 /nfs/dbraw/zinc/24/63/69/466246369.db2.gz MWAMMUSAHNNTQZ-INIZCTEOSA-N 2 2 347.507 2.470 10 0 EEAELP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569358700 468480611 /nfs/dbraw/zinc/48/06/11/468480611.db2.gz HXNWGNJLHJDEOA-RRFJBIMHSA-N 2 2 333.480 2.234 10 0 EEAELP Cc1cnc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000340690502 466264217 /nfs/dbraw/zinc/26/42/17/466264217.db2.gz GQCBYTYBOQOTEK-UHFFFAOYSA-N 3 2 345.535 2.413 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000340690502 466264226 /nfs/dbraw/zinc/26/42/26/466264226.db2.gz GQCBYTYBOQOTEK-UHFFFAOYSA-N 3 2 345.535 2.413 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000313048219 466535100 /nfs/dbraw/zinc/53/51/00/466535100.db2.gz HARHTIRRDQBVGU-CHWSQXEVSA-N 2 2 345.281 2.039 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000313048219 466535110 /nfs/dbraw/zinc/53/51/10/466535110.db2.gz HARHTIRRDQBVGU-CHWSQXEVSA-N 2 2 345.281 2.039 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)[C@@H](C)C1 ZINC000332686425 466552319 /nfs/dbraw/zinc/55/23/19/466552319.db2.gz NUZWAPSQWXYFJW-UAGQMJEPSA-N 2 2 347.507 2.441 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)[C@@H](C)C1 ZINC000332686425 466552324 /nfs/dbraw/zinc/55/23/24/466552324.db2.gz NUZWAPSQWXYFJW-UAGQMJEPSA-N 2 2 347.507 2.441 10 0 EEAELP CC1(C)OC[C@@H](C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)O1 ZINC000408521991 466677172 /nfs/dbraw/zinc/67/71/72/466677172.db2.gz BJLZHTDIEVSNSN-JKSUJKDBSA-N 2 2 347.459 2.286 10 0 EEAELP C[NH2+]Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000415973294 466717478 /nfs/dbraw/zinc/71/74/78/466717478.db2.gz OGXUHIJAOLVNIT-SFHVURJKSA-N 2 2 346.475 2.125 10 0 EEAELP CCn1nc2c(cc1=O)C[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC000365234496 466752730 /nfs/dbraw/zinc/75/27/30/466752730.db2.gz OAZHYWDEPNEDGA-UHFFFAOYSA-N 2 2 349.438 2.316 10 0 EEAELP CCn1nc2c(cc1=O)C[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1C)CC2 ZINC000365234496 466752733 /nfs/dbraw/zinc/75/27/33/466752733.db2.gz OAZHYWDEPNEDGA-UHFFFAOYSA-N 2 2 349.438 2.316 10 0 EEAELP CC[C@@H](CC(F)F)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967984 471239050 /nfs/dbraw/zinc/23/90/50/471239050.db2.gz LMQCFXRFIDCQRM-DZGCQCFKSA-N 2 2 331.451 2.295 10 0 EEAELP CC[C@@H](CC(F)F)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967984 471239052 /nfs/dbraw/zinc/23/90/52/471239052.db2.gz LMQCFXRFIDCQRM-DZGCQCFKSA-N 2 2 331.451 2.295 10 0 EEAELP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1OCC(=O)N(C)C ZINC000423559221 466774014 /nfs/dbraw/zinc/77/40/14/466774014.db2.gz OUAFZKKIULKVGG-WBVHZDCISA-N 2 2 333.476 2.336 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)[nH+]1 ZINC000411219502 466785635 /nfs/dbraw/zinc/78/56/35/466785635.db2.gz AAIHDVYOBUXCOK-GASCZTMLSA-N 2 2 346.475 2.324 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C)[nH+]1 ZINC000411219502 466785636 /nfs/dbraw/zinc/78/56/36/466785636.db2.gz AAIHDVYOBUXCOK-GASCZTMLSA-N 2 2 346.475 2.324 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000370226014 466804473 /nfs/dbraw/zinc/80/44/73/466804473.db2.gz AWBQLJNWPBCVQY-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000370226014 466804476 /nfs/dbraw/zinc/80/44/76/466804476.db2.gz AWBQLJNWPBCVQY-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000370226014 466804479 /nfs/dbraw/zinc/80/44/79/466804479.db2.gz AWBQLJNWPBCVQY-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)n1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000424136406 466987520 /nfs/dbraw/zinc/98/75/20/466987520.db2.gz AOHZVMLYRDDPRR-UYAOXDASSA-N 2 2 342.487 2.437 10 0 EEAELP O=C(Nc1nncs1)C1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000377691989 467118253 /nfs/dbraw/zinc/11/82/53/467118253.db2.gz GEHYNXKAKSOMKS-UHFFFAOYSA-N 2 2 342.428 2.037 10 0 EEAELP CC(C)n1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000377715357 467124868 /nfs/dbraw/zinc/12/48/68/467124868.db2.gz KKXWASHRBZUOSA-DFNIBXOVSA-N 2 2 331.508 2.207 10 0 EEAELP CC(C)n1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000377715357 467124875 /nfs/dbraw/zinc/12/48/75/467124875.db2.gz KKXWASHRBZUOSA-DFNIBXOVSA-N 2 2 331.508 2.207 10 0 EEAELP CC(C)n1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000377715357 467124877 /nfs/dbraw/zinc/12/48/77/467124877.db2.gz KKXWASHRBZUOSA-DFNIBXOVSA-N 2 2 331.508 2.207 10 0 EEAELP CC(C)n1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000377715357 467124879 /nfs/dbraw/zinc/12/48/79/467124879.db2.gz KKXWASHRBZUOSA-DFNIBXOVSA-N 2 2 331.508 2.207 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418709841 467148873 /nfs/dbraw/zinc/14/88/73/467148873.db2.gz VEJNUHLXRVICNJ-MELADBBJSA-N 2 2 338.883 2.464 10 0 EEAELP CC[C@H](C)[NH+]1CCN(Cc2cccc(N(CC)CCOC)[nH+]2)CC1 ZINC000451839405 467269556 /nfs/dbraw/zinc/26/95/56/467269556.db2.gz JUOCPFQAQQRBFL-KRWDZBQOSA-N 2 2 334.508 2.470 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451839089 467270003 /nfs/dbraw/zinc/27/00/03/467270003.db2.gz NMLKSZXDUCYABN-RDJZCZTQSA-N 2 2 331.460 2.359 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451839089 467270005 /nfs/dbraw/zinc/27/00/05/467270005.db2.gz NMLKSZXDUCYABN-RDJZCZTQSA-N 2 2 331.460 2.359 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000414274676 467397042 /nfs/dbraw/zinc/39/70/42/467397042.db2.gz VHEHVTWNAYZIAC-OJAHFUOMSA-N 2 2 331.504 2.063 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000414274676 467397045 /nfs/dbraw/zinc/39/70/45/467397045.db2.gz VHEHVTWNAYZIAC-OJAHFUOMSA-N 2 2 331.504 2.063 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000389195198 467399054 /nfs/dbraw/zinc/39/90/54/467399054.db2.gz WXPHYTUNUKNZLV-GOSISDBHSA-N 2 2 331.460 2.471 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000389195198 467399059 /nfs/dbraw/zinc/39/90/59/467399059.db2.gz WXPHYTUNUKNZLV-GOSISDBHSA-N 2 2 331.460 2.471 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398003947 467445467 /nfs/dbraw/zinc/44/54/67/467445467.db2.gz WYDLMIMWMBMIQY-MISYRCLQSA-N 3 2 331.504 2.398 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398003947 467445468 /nfs/dbraw/zinc/44/54/68/467445468.db2.gz WYDLMIMWMBMIQY-MISYRCLQSA-N 3 2 331.504 2.398 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453104229 467460204 /nfs/dbraw/zinc/46/02/04/467460204.db2.gz FFCLGKUYRRWNPT-SJCJKPOMSA-N 2 2 328.395 2.464 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453104229 467460208 /nfs/dbraw/zinc/46/02/08/467460208.db2.gz FFCLGKUYRRWNPT-SJCJKPOMSA-N 2 2 328.395 2.464 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453104229 467460213 /nfs/dbraw/zinc/46/02/13/467460213.db2.gz FFCLGKUYRRWNPT-SJCJKPOMSA-N 2 2 328.395 2.464 10 0 EEAELP COc1cc(F)cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000449021459 467613167 /nfs/dbraw/zinc/61/31/67/467613167.db2.gz CMARRYWNNMZIFN-GOSISDBHSA-N 2 2 335.467 2.436 10 0 EEAELP COc1cc(F)cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000449021459 467613169 /nfs/dbraw/zinc/61/31/69/467613169.db2.gz CMARRYWNNMZIFN-GOSISDBHSA-N 2 2 335.467 2.436 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1C ZINC000449392319 467636836 /nfs/dbraw/zinc/63/68/36/467636836.db2.gz JRZWDLCVIXLKGN-AEFFLSMTSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1C ZINC000449392319 467636837 /nfs/dbraw/zinc/63/68/37/467636837.db2.gz JRZWDLCVIXLKGN-AEFFLSMTSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[NH+](C)C)c(C)c1 ZINC000455437597 467682603 /nfs/dbraw/zinc/68/26/03/467682603.db2.gz WPLSIZJHPCYVPR-FUHWJXTLSA-N 2 2 343.475 2.491 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000457491909 467837850 /nfs/dbraw/zinc/83/78/50/467837850.db2.gz OOCSUVNAEGFZHH-OAHLLOKOSA-N 2 2 347.488 2.160 10 0 EEAELP 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C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@](C)(O)C1 ZINC000556765294 468568890 /nfs/dbraw/zinc/56/88/90/468568890.db2.gz VOCGOBBMDJZFGS-SCLBCKFNSA-N 2 2 328.416 2.251 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)n1C ZINC000582916204 468616316 /nfs/dbraw/zinc/61/63/16/468616316.db2.gz SZLHUKOFXOOSKT-RDJZCZTQSA-N 2 2 332.835 2.444 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000570298445 468620065 /nfs/dbraw/zinc/62/00/65/468620065.db2.gz DSUXXBQBRYEIBO-WOSRLPQWSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000570298445 468620067 /nfs/dbraw/zinc/62/00/67/468620067.db2.gz DSUXXBQBRYEIBO-WOSRLPQWSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000557663794 468645360 /nfs/dbraw/zinc/64/53/60/468645360.db2.gz NRZUJFDNSJVNGP-PUECVXPYSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000557663794 468645363 /nfs/dbraw/zinc/64/53/63/468645363.db2.gz NRZUJFDNSJVNGP-PUECVXPYSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000557663794 468645365 /nfs/dbraw/zinc/64/53/65/468645365.db2.gz NRZUJFDNSJVNGP-PUECVXPYSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000557663794 468645366 /nfs/dbraw/zinc/64/53/66/468645366.db2.gz NRZUJFDNSJVNGP-PUECVXPYSA-N 2 2 337.414 2.168 10 0 EEAELP COC(=O)[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000592438865 468698808 /nfs/dbraw/zinc/69/88/08/468698808.db2.gz QVVVVHBHGRSSDJ-WMLDXEAASA-N 2 2 332.444 2.391 10 0 EEAELP O=C1CCCN1CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571538842 468803855 /nfs/dbraw/zinc/80/38/55/468803855.db2.gz DPUOLGVQXYUFBU-INIZCTEOSA-N 2 2 330.476 2.411 10 0 EEAELP O=C1CCCN1CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000571538842 468803862 /nfs/dbraw/zinc/80/38/62/468803862.db2.gz DPUOLGVQXYUFBU-INIZCTEOSA-N 2 2 330.476 2.411 10 0 EEAELP COC[C@@]1(C(=O)OC)CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000595804928 469020715 /nfs/dbraw/zinc/02/07/15/469020715.db2.gz MEDDQADTQMSIKM-GOSISDBHSA-N 2 2 329.400 2.026 10 0 EEAELP COC[C@@]1(C(=O)OC)CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000595804928 469020720 /nfs/dbraw/zinc/02/07/20/469020720.db2.gz MEDDQADTQMSIKM-GOSISDBHSA-N 2 2 329.400 2.026 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)s1 ZINC000595912927 469078957 /nfs/dbraw/zinc/07/89/57/469078957.db2.gz PKOMMPDAJSCXBY-LBPRGKRZSA-N 2 2 334.445 2.085 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)s1 ZINC000595912927 469078968 /nfs/dbraw/zinc/07/89/68/469078968.db2.gz PKOMMPDAJSCXBY-LBPRGKRZSA-N 2 2 334.445 2.085 10 0 EEAELP CS[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)C[C@H]1[NH+](C)C ZINC000599059945 469104310 /nfs/dbraw/zinc/10/43/10/469104310.db2.gz QNTHUOWQUTVSQU-HZPDHXFCSA-N 2 2 327.457 2.364 10 0 EEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000573668806 469181302 /nfs/dbraw/zinc/18/13/02/469181302.db2.gz UDVCIDQMLCXPNV-QWHCGFSZSA-N 2 2 341.406 2.137 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985896 469458269 /nfs/dbraw/zinc/45/82/69/469458269.db2.gz LZPGVHSKTMBMGD-ZWKOTPCHSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985896 469458274 /nfs/dbraw/zinc/45/82/74/469458274.db2.gz LZPGVHSKTMBMGD-ZWKOTPCHSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985896 469458276 /nfs/dbraw/zinc/45/82/76/469458276.db2.gz LZPGVHSKTMBMGD-ZWKOTPCHSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000625985896 469458281 /nfs/dbraw/zinc/45/82/81/469458281.db2.gz LZPGVHSKTMBMGD-ZWKOTPCHSA-N 2 2 338.467 2.333 10 0 EEAELP C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C[NH2+]1 ZINC000629393915 469530205 /nfs/dbraw/zinc/53/02/05/469530205.db2.gz DWGBFKLKIOOQON-GXSJLCMTSA-N 2 2 327.222 2.408 10 0 EEAELP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1OCC(=O)N(C)C ZINC000629535629 469574330 /nfs/dbraw/zinc/57/43/30/469574330.db2.gz DSYSTUBGUQJHFO-INMHGKMJSA-N 2 2 333.476 2.335 10 0 EEAELP Cc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CO2 ZINC000629588642 469587373 /nfs/dbraw/zinc/58/73/73/469587373.db2.gz KFFSIBSDCOYYLP-RTBURBONSA-N 2 2 340.467 2.381 10 0 EEAELP Cc1cccc2c1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CO2 ZINC000629588642 469587376 /nfs/dbraw/zinc/58/73/76/469587376.db2.gz KFFSIBSDCOYYLP-RTBURBONSA-N 2 2 340.467 2.381 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC000623341395 469630071 /nfs/dbraw/zinc/63/00/71/469630071.db2.gz ACHSXOBBLDMCSM-IBGZPJMESA-N 3 2 331.504 2.481 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC000623341395 469630073 /nfs/dbraw/zinc/63/00/73/469630073.db2.gz ACHSXOBBLDMCSM-IBGZPJMESA-N 2 2 331.504 2.481 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC1(C)C ZINC000623341395 469630076 /nfs/dbraw/zinc/63/00/76/469630076.db2.gz ACHSXOBBLDMCSM-IBGZPJMESA-N 2 2 331.504 2.481 10 0 EEAELP CC(C)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623477646 469668444 /nfs/dbraw/zinc/66/84/44/469668444.db2.gz NGNVRSPTHBOQQO-OLZOCXBDSA-N 2 2 347.467 2.404 10 0 EEAELP CC(C)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623477646 469668447 /nfs/dbraw/zinc/66/84/47/469668447.db2.gz NGNVRSPTHBOQQO-OLZOCXBDSA-N 2 2 347.467 2.404 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccsc1Br ZINC000617762463 469794783 /nfs/dbraw/zinc/79/47/83/469794783.db2.gz PIOOZODPIPSMNS-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccsc1Br ZINC000617762463 469794787 /nfs/dbraw/zinc/79/47/87/469794787.db2.gz PIOOZODPIPSMNS-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP Cc1ccc2snc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000617763710 469796067 /nfs/dbraw/zinc/79/60/67/469796067.db2.gz YCZMWNOEYGANPD-UHFFFAOYSA-N 2 2 334.489 2.218 10 0 EEAELP Cc1ccc2snc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000617763710 469796071 /nfs/dbraw/zinc/79/60/71/469796071.db2.gz YCZMWNOEYGANPD-UHFFFAOYSA-N 2 2 334.489 2.218 10 0 EEAELP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1C1CCCCC1 ZINC000617764836 469796128 /nfs/dbraw/zinc/79/61/28/469796128.db2.gz ITORBZPFLRLWRP-UHFFFAOYSA-N 2 2 349.523 2.310 10 0 EEAELP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1C1CCCCC1 ZINC000617764836 469796132 /nfs/dbraw/zinc/79/61/32/469796132.db2.gz ITORBZPFLRLWRP-UHFFFAOYSA-N 2 2 349.523 2.310 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000617766312 469797213 /nfs/dbraw/zinc/79/72/13/469797213.db2.gz GDQXRTOTLGDNIW-UONOGXRCSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000617766312 469797215 /nfs/dbraw/zinc/79/72/15/469797215.db2.gz GDQXRTOTLGDNIW-UONOGXRCSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000617766416 469798020 /nfs/dbraw/zinc/79/80/20/469798020.db2.gz JNSMHJBEMLWFIO-CABCVRRESA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000617766416 469798023 /nfs/dbraw/zinc/79/80/23/469798023.db2.gz JNSMHJBEMLWFIO-CABCVRRESA-N 2 2 339.430 2.068 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000624473875 469948145 /nfs/dbraw/zinc/94/81/45/469948145.db2.gz VMDVAGPIMGBYAF-MSOLQXFVSA-N 2 2 340.471 2.043 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000625226060 470098425 /nfs/dbraw/zinc/09/84/25/470098425.db2.gz OEIBVDIEYVIQTB-UONOGXRCSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000625226060 470098428 /nfs/dbraw/zinc/09/84/28/470098428.db2.gz OEIBVDIEYVIQTB-UONOGXRCSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000625226060 470098430 /nfs/dbraw/zinc/09/84/30/470098430.db2.gz OEIBVDIEYVIQTB-UONOGXRCSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000625226060 470098433 /nfs/dbraw/zinc/09/84/33/470098433.db2.gz OEIBVDIEYVIQTB-UONOGXRCSA-N 2 2 335.414 2.203 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccc(Cl)cc43)C2)CC1 ZINC000631259310 470104767 /nfs/dbraw/zinc/10/47/67/470104767.db2.gz PKCQYJSFIHDXHR-YJBOKZPZSA-N 2 2 347.890 2.264 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3Cc4ccc(Cl)cc43)C2)CC1 ZINC000631259310 470104769 /nfs/dbraw/zinc/10/47/69/470104769.db2.gz PKCQYJSFIHDXHR-YJBOKZPZSA-N 2 2 347.890 2.264 10 0 EEAELP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)[NH+](C)C ZINC000634711788 470284230 /nfs/dbraw/zinc/28/42/30/470284230.db2.gz UNZCKAKEANVLPZ-UHMOLFJZSA-N 2 2 334.504 2.488 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N[C@@H](C)c3[nH+]ccn3C)C2)cc1 ZINC000633359235 470437596 /nfs/dbraw/zinc/43/75/96/470437596.db2.gz YTNDJSATETZVAS-DOTOQJQBSA-N 2 2 341.459 2.363 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H](C)c3[nH+]ccn3C)C2)cc1 ZINC000633359235 470437601 /nfs/dbraw/zinc/43/76/01/470437601.db2.gz YTNDJSATETZVAS-DOTOQJQBSA-N 2 2 341.459 2.363 10 0 EEAELP CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[NH+](C)C)cc1 ZINC000635137425 470448761 /nfs/dbraw/zinc/44/87/61/470448761.db2.gz ALZARTRDHIJXRY-NUJGCVRESA-N 2 2 326.444 2.495 10 0 EEAELP CCc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[NH+](C)C)cc1 ZINC000635137425 470448764 /nfs/dbraw/zinc/44/87/64/470448764.db2.gz ALZARTRDHIJXRY-NUJGCVRESA-N 2 2 326.444 2.495 10 0 EEAELP O=C(C[N@@H+]1CCC12CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649656440 470655711 /nfs/dbraw/zinc/65/57/11/470655711.db2.gz NFRCQKIHNBTCIN-UHFFFAOYSA-N 2 2 327.472 2.349 10 0 EEAELP O=C(C[N@H+]1CCC12CCCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649656440 470655716 /nfs/dbraw/zinc/65/57/16/470655716.db2.gz NFRCQKIHNBTCIN-UHFFFAOYSA-N 2 2 327.472 2.349 10 0 EEAELP COc1ncncc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647199721 470855858 /nfs/dbraw/zinc/85/58/58/470855858.db2.gz NWEIPBVXFMBYRG-DOTOQJQBSA-N 2 2 326.444 2.485 10 0 EEAELP COc1ncncc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647199721 470855862 /nfs/dbraw/zinc/85/58/62/470855862.db2.gz NWEIPBVXFMBYRG-DOTOQJQBSA-N 2 2 326.444 2.485 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@]1(O)CCOC1 ZINC000647340051 470884696 /nfs/dbraw/zinc/88/46/96/470884696.db2.gz DPMIPHXGJOYPSF-UYAOXDASSA-N 2 2 332.488 2.418 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@]1(O)CCOC1 ZINC000647340051 470884698 /nfs/dbraw/zinc/88/46/98/470884698.db2.gz DPMIPHXGJOYPSF-UYAOXDASSA-N 2 2 332.488 2.418 10 0 EEAELP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000647631063 470942892 /nfs/dbraw/zinc/94/28/92/470942892.db2.gz 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0 EEAELP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000766250617 577515792 /nfs/dbraw/zinc/51/57/92/577515792.db2.gz RUGSWYVNJAXXJN-QGZVFWFLSA-N 2 2 328.416 2.303 10 0 EEAELP COc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000766250617 577515793 /nfs/dbraw/zinc/51/57/93/577515793.db2.gz RUGSWYVNJAXXJN-QGZVFWFLSA-N 2 2 328.416 2.303 10 0 EEAELP CCOCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000761227286 577679821 /nfs/dbraw/zinc/67/98/21/577679821.db2.gz ZLIIBPQJKPJELO-UHFFFAOYSA-N 2 2 342.443 2.480 10 0 EEAELP O=C(NCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000924899380 681331617 /nfs/dbraw/zinc/33/16/17/681331617.db2.gz VUBDFCDNCVMJAT-ROUUACIJSA-N 2 2 331.460 2.119 10 0 EEAELP O=C(NCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cccc(O)c1 ZINC000924899380 681331619 /nfs/dbraw/zinc/33/16/19/681331619.db2.gz VUBDFCDNCVMJAT-ROUUACIJSA-N 2 2 331.460 2.119 10 0 EEAELP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576423 684087417 /nfs/dbraw/zinc/08/74/17/684087417.db2.gz KGBWSDQFQSWGSI-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP C[N@H+]1CCC[C@]2(CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576423 684087419 /nfs/dbraw/zinc/08/74/19/684087419.db2.gz KGBWSDQFQSWGSI-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576423 684087422 /nfs/dbraw/zinc/08/74/22/684087422.db2.gz KGBWSDQFQSWGSI-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576423 684087424 /nfs/dbraw/zinc/08/74/24/684087424.db2.gz KGBWSDQFQSWGSI-RYUDHWBXSA-N 2 2 330.341 2.353 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCC(C)(C)CO2)CC1 ZINC000895528941 684633026 /nfs/dbraw/zinc/63/30/26/684633026.db2.gz CLNOPWLGMJGGJV-MRXNPFEDSA-N 2 2 326.481 2.199 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCC4(CCC4)O3)CC2)CC1 ZINC000896004948 684800845 /nfs/dbraw/zinc/80/08/45/684800845.db2.gz UOWVHPGGAMGMGE-SFHVURJKSA-N 2 2 349.519 2.153 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c[nH+]1 ZINC000897240405 686309898 /nfs/dbraw/zinc/30/98/98/686309898.db2.gz HIJZUXGSVWJGCY-IAGOWNOFSA-N 2 2 326.444 2.488 10 0 EEAELP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)Cc1cc2ccccc2s1 ZINC001266329871 1176311304 /nfs/dbraw/zinc/31/13/04/1176311304.db2.gz KRQPXBGJBPCMSP-UHFFFAOYSA-N 2 2 328.441 2.415 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)Cc1cc2ccccc2s1 ZINC001266329871 1176311318 /nfs/dbraw/zinc/31/13/18/1176311318.db2.gz KRQPXBGJBPCMSP-UHFFFAOYSA-N 2 2 328.441 2.415 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001266685324 1177196628 /nfs/dbraw/zinc/19/66/28/1177196628.db2.gz DBGXJAZLAMYSKJ-HZIVAHBKSA-N 2 2 345.491 2.383 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001266685324 1177196632 /nfs/dbraw/zinc/19/66/32/1177196632.db2.gz DBGXJAZLAMYSKJ-HZIVAHBKSA-N 2 2 345.491 2.383 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]C[C@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001266847968 1177541407 /nfs/dbraw/zinc/54/14/07/1177541407.db2.gz FVENWFAVGGRQOO-KBPBESRZSA-N 2 2 328.407 2.318 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001267179574 1178433587 /nfs/dbraw/zinc/43/35/87/1178433587.db2.gz QKHPUNPFBMRKBS-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC001267179574 1178433593 /nfs/dbraw/zinc/43/35/93/1178433593.db2.gz QKHPUNPFBMRKBS-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001267372057 1178871936 /nfs/dbraw/zinc/87/19/36/1178871936.db2.gz DPMIMULJDHXIMN-HNNXBMFYSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001267372057 1178871949 /nfs/dbraw/zinc/87/19/49/1178871949.db2.gz DPMIMULJDHXIMN-HNNXBMFYSA-N 2 2 336.480 2.219 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CC[NH2+]C/C(Cl)=C\Cl)CC2 ZINC001267418718 1178984790 /nfs/dbraw/zinc/98/47/90/1178984790.db2.gz CGGYRTNGDDBOOL-ALFJJAPYSA-N 2 2 345.274 2.121 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001481067318 1179675279 /nfs/dbraw/zinc/67/52/79/1179675279.db2.gz OZCKDPFSPOKSEK-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001481067318 1179675284 /nfs/dbraw/zinc/67/52/84/1179675284.db2.gz OZCKDPFSPOKSEK-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001481067318 1179675289 /nfs/dbraw/zinc/67/52/89/1179675289.db2.gz OZCKDPFSPOKSEK-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001481067318 1179675292 /nfs/dbraw/zinc/67/52/92/1179675292.db2.gz OZCKDPFSPOKSEK-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCCCCC[NH+]1CC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001267651995 1180104023 /nfs/dbraw/zinc/10/40/23/1180104023.db2.gz CMWCRDPGSGKUJW-UHFFFAOYSA-N 2 2 327.432 2.262 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]Cc1cnc(Cl)s1)n1cc[nH+]c1 ZINC001481285200 1180843199 /nfs/dbraw/zinc/84/31/99/1180843199.db2.gz BXGJATZRFJRNLF-LLVKDONJSA-N 2 2 341.868 2.192 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001268016750 1180981441 /nfs/dbraw/zinc/98/14/41/1180981441.db2.gz FWGAAIJAINKKRL-KBPBESRZSA-N 2 2 341.415 2.127 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001481400124 1181211663 /nfs/dbraw/zinc/21/16/63/1181211663.db2.gz DHUSRKUQHDKIHP-IAGOWNOFSA-N 2 2 330.476 2.168 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001481400124 1181211669 /nfs/dbraw/zinc/21/16/69/1181211669.db2.gz DHUSRKUQHDKIHP-IAGOWNOFSA-N 2 2 330.476 2.168 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001268152465 1181845915 /nfs/dbraw/zinc/84/59/15/1181845915.db2.gz BVQLWBQABVPIBN-QGZVFWFLSA-N 2 2 331.460 2.404 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268419584 1182584911 /nfs/dbraw/zinc/58/49/11/1182584911.db2.gz QTWQONUIXKAKLT-AWEZNQCLSA-N 2 2 340.471 2.434 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001481774382 1182668991 /nfs/dbraw/zinc/66/89/91/1182668991.db2.gz CLMSXQMPSJFNQM-SJORKVTESA-N 2 2 348.491 2.326 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001481774382 1182668997 /nfs/dbraw/zinc/66/89/97/1182668997.db2.gz CLMSXQMPSJFNQM-SJORKVTESA-N 2 2 348.491 2.326 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001481774379 1182669640 /nfs/dbraw/zinc/66/96/40/1182669640.db2.gz CLMSXQMPSJFNQM-IAGOWNOFSA-N 2 2 348.491 2.326 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001481774379 1182669643 /nfs/dbraw/zinc/66/96/43/1182669643.db2.gz CLMSXQMPSJFNQM-IAGOWNOFSA-N 2 2 348.491 2.326 10 0 EEAELP C[C@@H](CC(=O)N[C@@](C)(C[NH2+]Cc1ccccn1)C1CC1)n1cc[nH+]c1 ZINC001481943327 1183005450 /nfs/dbraw/zinc/00/54/50/1183005450.db2.gz FDKPEQVQQNLYNC-KXBFYZLASA-N 2 2 341.459 2.304 10 0 EEAELP C[C@@](C[NH2+]Cc1ccncc1Cl)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481953119 1183010521 /nfs/dbraw/zinc/01/05/21/1183010521.db2.gz VRKRGWISURFPCA-KRWDZBQOSA-N 2 2 347.850 2.006 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001481987798 1183088389 /nfs/dbraw/zinc/08/83/89/1183088389.db2.gz LCDQPRUQDSGZPX-HNNXBMFYSA-N 2 2 346.500 2.443 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C\CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001268562952 1183263353 /nfs/dbraw/zinc/26/33/53/1183263353.db2.gz ZUSPTSYVERAWOK-QGZUEGPWSA-N 2 2 330.476 2.144 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]Cc1coc(C2CC2)n1 ZINC001268627270 1183550412 /nfs/dbraw/zinc/55/04/12/1183550412.db2.gz GUHKAPDPVGWIDP-LRPXVYOUSA-N 2 2 346.475 2.187 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001269025900 1183905600 /nfs/dbraw/zinc/90/56/00/1183905600.db2.gz KKKOXPRQFFVVNQ-UGZKAYFTSA-N 2 2 345.491 2.337 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001269025900 1183905605 /nfs/dbraw/zinc/90/56/05/1183905605.db2.gz KKKOXPRQFFVVNQ-UGZKAYFTSA-N 2 2 345.491 2.337 10 0 EEAELP CC/C=C\CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001269025900 1183905610 /nfs/dbraw/zinc/90/56/10/1183905610.db2.gz KKKOXPRQFFVVNQ-UGZKAYFTSA-N 2 2 345.491 2.337 10 0 EEAELP CC/C=C\CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001269025900 1183905615 /nfs/dbraw/zinc/90/56/15/1183905615.db2.gz KKKOXPRQFFVVNQ-UGZKAYFTSA-N 2 2 345.491 2.337 10 0 EEAELP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001269345683 1184195540 /nfs/dbraw/zinc/19/55/40/1184195540.db2.gz UDYZYPRWGSWRGT-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001269345683 1184195544 /nfs/dbraw/zinc/19/55/44/1184195544.db2.gz UDYZYPRWGSWRGT-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001482354031 1185492348 /nfs/dbraw/zinc/49/23/48/1185492348.db2.gz NGXNSWUYLJIOQY-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccon1)C1CCCCC1 ZINC001482407091 1185631116 /nfs/dbraw/zinc/63/11/16/1185631116.db2.gz WBGIQTMVRTXKBT-ZWKOTPCHSA-N 2 2 348.491 2.314 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccon1)C1CCCCC1 ZINC001482407091 1185631117 /nfs/dbraw/zinc/63/11/17/1185631117.db2.gz WBGIQTMVRTXKBT-ZWKOTPCHSA-N 2 2 348.491 2.314 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]CC1CCOCC1 ZINC001482449640 1185821956 /nfs/dbraw/zinc/82/19/56/1185821956.db2.gz IFUXFOIOVXEVQY-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CC1CCOCC1 ZINC001482449640 1185821961 /nfs/dbraw/zinc/82/19/61/1185821961.db2.gz IFUXFOIOVXEVQY-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001280417967 1186401560 /nfs/dbraw/zinc/40/15/60/1186401560.db2.gz JYOKBFIEENLWBC-ZWKOTPCHSA-N 2 2 339.524 2.258 10 0 EEAELP CCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001280417967 1186401561 /nfs/dbraw/zinc/40/15/61/1186401561.db2.gz JYOKBFIEENLWBC-ZWKOTPCHSA-N 2 2 339.524 2.258 10 0 EEAELP CC(C)[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCOC1CCC1 ZINC001271869808 1186566038 /nfs/dbraw/zinc/56/60/38/1186566038.db2.gz RFABGUNUZAZSKL-MRXNPFEDSA-N 2 2 344.459 2.247 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccsc1 ZINC001482687423 1187662751 /nfs/dbraw/zinc/66/27/51/1187662751.db2.gz XXBLLWBTTHJWQV-JKSUJKDBSA-N 2 2 332.473 2.409 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2cncs2)c[nH+]1 ZINC001482844300 1187763504 /nfs/dbraw/zinc/76/35/04/1187763504.db2.gz YAHYQNXIVHHWTK-GFCCVEGCSA-N 2 2 335.477 2.068 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001482858937 1187781004 /nfs/dbraw/zinc/78/10/04/1187781004.db2.gz FBPKSWSVBWFVNL-HNNXBMFYSA-N 2 2 332.423 2.405 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)Cn1cc[nH+]c1 ZINC001482906303 1187831760 /nfs/dbraw/zinc/83/17/60/1187831760.db2.gz VMRJWNXRMHOARC-CQSZACIVSA-N 2 2 325.416 2.049 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+][C@H]1CCc2ccccc21 ZINC001483038571 1188083340 /nfs/dbraw/zinc/08/33/40/1188083340.db2.gz VOJCOFRPJHJBFF-WRFKIARRSA-N 2 2 338.455 2.302 10 0 EEAELP CO[C@H](C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)c1ccccc1 ZINC001691556575 1188262251 /nfs/dbraw/zinc/26/22/51/1188262251.db2.gz VJOOCOHQBBLYRE-MRXNPFEDSA-N 2 2 344.459 2.123 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001409444532 1189686830 /nfs/dbraw/zinc/68/68/30/1189686830.db2.gz CKRUNRDUWPCPRL-RYUDHWBXSA-N 2 2 338.814 2.359 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCc1cccs1 ZINC001485895394 1193633085 /nfs/dbraw/zinc/63/30/85/1193633085.db2.gz RRZNVVGNQOLQJI-LSDHHAIUSA-N 2 2 346.500 2.186 10 0 EEAELP Cc1oncc1C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001409491603 1189852175 /nfs/dbraw/zinc/85/21/75/1189852175.db2.gz HAWCKGIGSZTNOR-UHFFFAOYSA-N 2 2 347.463 2.258 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001409599588 1190088871 /nfs/dbraw/zinc/08/88/71/1190088871.db2.gz YKUKNPJIVRVKBA-KBXCAEBGSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001409599588 1190088875 /nfs/dbraw/zinc/08/88/75/1190088875.db2.gz YKUKNPJIVRVKBA-KBXCAEBGSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001409599588 1190088880 /nfs/dbraw/zinc/08/88/80/1190088880.db2.gz YKUKNPJIVRVKBA-KBXCAEBGSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001409599588 1190088884 /nfs/dbraw/zinc/08/88/84/1190088884.db2.gz YKUKNPJIVRVKBA-KBXCAEBGSA-N 2 2 326.444 2.466 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)on1 ZINC001483346979 1190380874 /nfs/dbraw/zinc/38/08/74/1190380874.db2.gz GWWQFLKMNOSKAK-QAPCUYQASA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)on1 ZINC001483346979 1190380878 /nfs/dbraw/zinc/38/08/78/1190380878.db2.gz GWWQFLKMNOSKAK-QAPCUYQASA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001483346979 1190380884 /nfs/dbraw/zinc/38/08/84/1190380884.db2.gz GWWQFLKMNOSKAK-QAPCUYQASA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)on1 ZINC001483346979 1190380889 /nfs/dbraw/zinc/38/08/89/1190380889.db2.gz GWWQFLKMNOSKAK-QAPCUYQASA-N 2 2 348.491 2.327 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1cccc2cccnc21)NC(=O)Cn1cc[nH+]c1 ZINC001483427309 1190474701 /nfs/dbraw/zinc/47/47/01/1190474701.db2.gz KFLFLCYPAYUFSH-HNNXBMFYSA-N 2 2 337.427 2.068 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1cccc2cccnc21)NC(=O)Cn1cc[nH+]c1 ZINC001483427309 1190474702 /nfs/dbraw/zinc/47/47/02/1190474702.db2.gz KFLFLCYPAYUFSH-HNNXBMFYSA-N 2 2 337.427 2.068 10 0 EEAELP CN(CCC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001483495367 1190511900 /nfs/dbraw/zinc/51/19/00/1190511900.db2.gz XPCMUKZSJRRIDP-INIZCTEOSA-N 2 2 340.471 2.195 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001272624052 1190936485 /nfs/dbraw/zinc/93/64/85/1190936485.db2.gz FUYLGZXUIJLPKC-GOSISDBHSA-N 2 2 340.471 2.381 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483807545 1191053251 /nfs/dbraw/zinc/05/32/51/1191053251.db2.gz JZWGXZJJVKKNNJ-ITVKQWQRSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483807545 1191053254 /nfs/dbraw/zinc/05/32/54/1191053254.db2.gz JZWGXZJJVKKNNJ-ITVKQWQRSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483807545 1191053256 /nfs/dbraw/zinc/05/32/56/1191053256.db2.gz JZWGXZJJVKKNNJ-ITVKQWQRSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483807545 1191053258 /nfs/dbraw/zinc/05/32/58/1191053258.db2.gz JZWGXZJJVKKNNJ-ITVKQWQRSA-N 2 2 349.519 2.129 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001483887234 1191109360 /nfs/dbraw/zinc/10/93/60/1191109360.db2.gz YRUHXGRMXAZZMD-UHFFFAOYSA-N 2 2 339.524 2.210 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001483887234 1191109362 /nfs/dbraw/zinc/10/93/62/1191109362.db2.gz YRUHXGRMXAZZMD-UHFFFAOYSA-N 2 2 339.524 2.210 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074271 1191194210 /nfs/dbraw/zinc/19/42/10/1191194210.db2.gz QUGKOBQRRACYOR-SFHVURJKSA-N 2 2 345.447 2.084 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2)C1 ZINC001484074271 1191194212 /nfs/dbraw/zinc/19/42/12/1191194212.db2.gz QUGKOBQRRACYOR-SFHVURJKSA-N 2 2 345.447 2.084 10 0 EEAELP O=C(NCC1([NH2+]Cc2ccsc2)CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001484639556 1191454186 /nfs/dbraw/zinc/45/41/86/1191454186.db2.gz AOYOZERLPXEOJH-OAHLLOKOSA-N 2 2 344.484 2.336 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]Cc2cncs2)CCCCC1 ZINC001485456047 1191792087 /nfs/dbraw/zinc/79/20/87/1191792087.db2.gz GRQNQTNDYXUHNT-UHFFFAOYSA-N 2 2 347.488 2.028 10 0 EEAELP Cc1ccncc1C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001485457955 1191797046 /nfs/dbraw/zinc/79/70/46/1191797046.db2.gz VWFQIDUJKQOQGJ-UHFFFAOYSA-N 2 2 341.459 2.265 10 0 EEAELP Cc1cnc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)Cn2c[nH+]cc2C)o1 ZINC001485480172 1191807516 /nfs/dbraw/zinc/80/75/16/1191807516.db2.gz LQKAAYVXPNWOQB-MRXNPFEDSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1cnc(C[N@H+]2CCCCC[C@@H]2CNC(=O)Cn2c[nH+]cc2C)o1 ZINC001485480172 1191807518 /nfs/dbraw/zinc/80/75/18/1191807518.db2.gz LQKAAYVXPNWOQB-MRXNPFEDSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1cc(C[N@@H+](C)CCN(C(=O)[C@@H]2CCCC[NH+]2C)C(C)C)on1 ZINC001486373749 1193879775 /nfs/dbraw/zinc/87/97/75/1193879775.db2.gz BEPQRHHGVVFTHJ-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cc(C[N@H+](C)CCN(C(=O)[C@@H]2CCCC[NH+]2C)C(C)C)on1 ZINC001486373749 1193879779 /nfs/dbraw/zinc/87/97/79/1193879779.db2.gz BEPQRHHGVVFTHJ-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cc(C[NH+](C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)on1 ZINC001486373749 1193879782 /nfs/dbraw/zinc/87/97/82/1193879782.db2.gz BEPQRHHGVVFTHJ-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cc(C[NH+](C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C(C)C)on1 ZINC001486373749 1193879786 /nfs/dbraw/zinc/87/97/86/1193879786.db2.gz BEPQRHHGVVFTHJ-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP CC[C@H](F)C[NH2+]C[C@@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001486406045 1193931113 /nfs/dbraw/zinc/93/11/13/1193931113.db2.gz RSZKRGMNGHCGOS-UONOGXRCSA-N 2 2 326.460 2.221 10 0 EEAELP C[C@@H](CC(=O)N[C@@H]1C[N@H+](Cc2cccnc2)CC1(C)C)n1cc[nH+]c1 ZINC001410032358 1197479457 /nfs/dbraw/zinc/47/94/57/1197479457.db2.gz RWSVEXNKOBTMJI-DOTOQJQBSA-N 2 2 341.459 2.256 10 0 EEAELP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](Cc2cccnc2)CC1(C)C)n1cc[nH+]c1 ZINC001410032358 1197479460 /nfs/dbraw/zinc/47/94/60/1197479460.db2.gz RWSVEXNKOBTMJI-DOTOQJQBSA-N 2 2 341.459 2.256 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(C1)C[N@H+](CCCC(C)C)CCO2 ZINC001410101803 1197550613 /nfs/dbraw/zinc/55/06/13/1197550613.db2.gz JRDUIZCMQXCNPJ-IBGZPJMESA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@]2(C1)C[N@@H+](CCCC(C)C)CCO2 ZINC001410101803 1197550615 /nfs/dbraw/zinc/55/06/15/1197550615.db2.gz JRDUIZCMQXCNPJ-IBGZPJMESA-N 2 2 348.491 2.000 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1cncs1 ZINC001493029744 1198577289 /nfs/dbraw/zinc/57/72/89/1198577289.db2.gz VWPNLUWZBKYGAM-MRXNPFEDSA-N 2 2 338.521 2.344 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)Cc1cncs1 ZINC001493029744 1198577293 /nfs/dbraw/zinc/57/72/93/1198577293.db2.gz VWPNLUWZBKYGAM-MRXNPFEDSA-N 2 2 338.521 2.344 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)Cc1cncs1 ZINC001493029744 1198577301 /nfs/dbraw/zinc/57/73/01/1198577301.db2.gz VWPNLUWZBKYGAM-MRXNPFEDSA-N 2 2 338.521 2.344 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cncc(F)c2)[C@H]1C ZINC001411060581 1198739776 /nfs/dbraw/zinc/73/97/76/1198739776.db2.gz KUGYZIZRDWDARI-WMLDXEAASA-N 2 2 336.455 2.032 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cncc(F)c2)[C@H]1C ZINC001411060581 1198739778 /nfs/dbraw/zinc/73/97/78/1198739778.db2.gz KUGYZIZRDWDARI-WMLDXEAASA-N 2 2 336.455 2.032 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)[C@H]1C ZINC001411060581 1198739780 /nfs/dbraw/zinc/73/97/80/1198739780.db2.gz KUGYZIZRDWDARI-WMLDXEAASA-N 2 2 336.455 2.032 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@H]1C ZINC001411060581 1198739784 /nfs/dbraw/zinc/73/97/84/1198739784.db2.gz KUGYZIZRDWDARI-WMLDXEAASA-N 2 2 336.455 2.032 10 0 EEAELP Cc1nc(CC[N@@H+](C)CCN(C(=O)Cn2cc[nH+]c2)C(C)C)cs1 ZINC001411201411 1198902955 /nfs/dbraw/zinc/90/29/55/1198902955.db2.gz IZJDQVGMZDFCJA-UHFFFAOYSA-N 2 2 349.504 2.060 10 0 EEAELP Cc1nc(CC[N@H+](C)CCN(C(=O)Cn2cc[nH+]c2)C(C)C)cs1 ZINC001411201411 1198902959 /nfs/dbraw/zinc/90/29/59/1198902959.db2.gz IZJDQVGMZDFCJA-UHFFFAOYSA-N 2 2 349.504 2.060 10 0 EEAELP Cc1ncccc1C[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001411231006 1198941885 /nfs/dbraw/zinc/94/18/85/1198941885.db2.gz DYSVANKGHDHGOD-OAHLLOKOSA-N 2 2 341.459 2.073 10 0 EEAELP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001411244361 1198964250 /nfs/dbraw/zinc/96/42/50/1198964250.db2.gz CDIIUDMUWBQONM-LRVUVFPRSA-N 2 2 347.488 2.378 10 0 EEAELP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1 ZINC001411249658 1198971755 /nfs/dbraw/zinc/97/17/55/1198971755.db2.gz UCCAJVJMGNYUBS-FAEJEUNOSA-N 2 2 341.459 2.317 10 0 EEAELP Cc1nc(NCCC2CC[NH+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000866086000 1201426753 /nfs/dbraw/zinc/42/67/53/1201426753.db2.gz LDIZYXYEPHSAMR-UHFFFAOYSA-N 2 2 326.448 2.476 10 0 EEAELP Cc1nc(N)nc(NCCC2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000866086000 1201426758 /nfs/dbraw/zinc/42/67/58/1201426758.db2.gz LDIZYXYEPHSAMR-UHFFFAOYSA-N 2 2 326.448 2.476 10 0 EEAELP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866233550 1201472795 /nfs/dbraw/zinc/47/27/95/1201472795.db2.gz VOYXCZNVTLUMCY-PKOBYXMFSA-N 2 2 335.467 2.466 10 0 EEAELP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3ccccc3OC[C@@H]2F)CC1 ZINC000866233550 1201472797 /nfs/dbraw/zinc/47/27/97/1201472797.db2.gz VOYXCZNVTLUMCY-PKOBYXMFSA-N 2 2 335.467 2.466 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411861 1201510207 /nfs/dbraw/zinc/51/02/07/1201510207.db2.gz XNZHHHDYDDKHBP-YSIASYRMSA-N 2 2 345.531 2.332 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411861 1201510210 /nfs/dbraw/zinc/51/02/10/1201510210.db2.gz XNZHHHDYDDKHBP-YSIASYRMSA-N 2 2 345.531 2.332 10 0 EEAELP COc1ccccc1[C@@H](C)[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000866595362 1201556793 /nfs/dbraw/zinc/55/67/93/1201556793.db2.gz JUFOKJONXIJDSJ-QGZVFWFLSA-N 2 2 347.503 2.142 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1CC[NH2+]Cc1ccon1 ZINC001691729012 1204241217 /nfs/dbraw/zinc/24/12/17/1204241217.db2.gz VKQJINAYNRNQLH-WBVHZDCISA-N 2 2 345.447 2.068 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001274025302 1204331366 /nfs/dbraw/zinc/33/13/66/1204331366.db2.gz KIRZLUFLZRKZBM-XFCCUVRLSA-N 2 2 334.464 2.179 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001274025302 1204331369 /nfs/dbraw/zinc/33/13/69/1204331369.db2.gz KIRZLUFLZRKZBM-XFCCUVRLSA-N 2 2 334.464 2.179 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)CCc1c[nH]c[nH+]1 ZINC001274082026 1204359676 /nfs/dbraw/zinc/35/96/76/1204359676.db2.gz GKAMQRLZNALSJP-IHWYPQMZSA-N 2 2 330.407 2.252 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C\CNC(=O)CCc1c[nH+]c[nH]1 ZINC001274082026 1204359678 /nfs/dbraw/zinc/35/96/78/1204359678.db2.gz GKAMQRLZNALSJP-IHWYPQMZSA-N 2 2 330.407 2.252 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001274132495 1204394108 /nfs/dbraw/zinc/39/41/08/1204394108.db2.gz AYHZBBGNGLUUDL-LAQIPUCWSA-N 2 2 338.455 2.216 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001274453228 1205043277 /nfs/dbraw/zinc/04/32/77/1205043277.db2.gz HYJRCDYNHXZHOA-HOTGVXAUSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001274453228 1205043280 /nfs/dbraw/zinc/04/32/80/1205043280.db2.gz HYJRCDYNHXZHOA-HOTGVXAUSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001274533976 1205069840 /nfs/dbraw/zinc/06/98/40/1205069840.db2.gz HKAJFBNQNNEETC-BAABZTOOSA-N 2 2 340.418 2.348 10 0 EEAELP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001411605506 1205449043 /nfs/dbraw/zinc/44/90/43/1205449043.db2.gz XISXLFSCMZSVMU-IAGOWNOFSA-N 2 2 331.460 2.043 10 0 EEAELP CC[N@H+]1CC[C@@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001411605506 1205449044 /nfs/dbraw/zinc/44/90/44/1205449044.db2.gz XISXLFSCMZSVMU-IAGOWNOFSA-N 2 2 331.460 2.043 10 0 EEAELP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccnnc1 ZINC000924795662 1206033241 /nfs/dbraw/zinc/03/32/41/1206033241.db2.gz PDFXFJYHEASIMG-MRXNPFEDSA-N 2 2 342.443 2.038 10 0 EEAELP CC(C)(C)C(=O)c1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000926056468 1206186490 /nfs/dbraw/zinc/18/64/90/1206186490.db2.gz ZNEGWHZKPOBQAH-UHFFFAOYSA-N 2 2 346.475 2.460 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)c1ccccc1 ZINC000928101113 1206343211 /nfs/dbraw/zinc/34/32/11/1206343211.db2.gz WVDFPKLKPLWOCK-KURKYZTESA-N 2 2 347.528 2.375 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)c1ccccc1 ZINC000928101113 1206343215 /nfs/dbraw/zinc/34/32/15/1206343215.db2.gz WVDFPKLKPLWOCK-KURKYZTESA-N 2 2 347.528 2.375 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)c1ccccc1 ZINC000928101113 1206343218 /nfs/dbraw/zinc/34/32/18/1206343218.db2.gz WVDFPKLKPLWOCK-KURKYZTESA-N 2 2 347.528 2.375 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)c1ccccc1 ZINC000928101113 1206343219 /nfs/dbraw/zinc/34/32/19/1206343219.db2.gz WVDFPKLKPLWOCK-KURKYZTESA-N 2 2 347.528 2.375 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](CCC2(C(=O)OC(C)(C)C)CCC2)CC1 ZINC000930066548 1206532671 /nfs/dbraw/zinc/53/26/71/1206532671.db2.gz FPEVWUXIFDTZCA-UHFFFAOYSA-N 2 2 348.491 2.444 10 0 EEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](CCn1cncn1)C2 ZINC000931215220 1206616564 /nfs/dbraw/zinc/61/65/64/1206616564.db2.gz VKTWQLSXJLGMCJ-KDURUIRLSA-N 2 2 325.460 2.122 10 0 EEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCn1cncn1)C2 ZINC000931215220 1206616565 /nfs/dbraw/zinc/61/65/65/1206616565.db2.gz VKTWQLSXJLGMCJ-KDURUIRLSA-N 2 2 325.460 2.122 10 0 EEAELP C[C@@]12C[NH+](CCn3cncn3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000931215220 1206616566 /nfs/dbraw/zinc/61/65/66/1206616566.db2.gz VKTWQLSXJLGMCJ-KDURUIRLSA-N 2 2 325.460 2.122 10 0 EEAELP C[C@@]12C[NH+](CCn3cncn3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000931215220 1206616567 /nfs/dbraw/zinc/61/65/67/1206616567.db2.gz VKTWQLSXJLGMCJ-KDURUIRLSA-N 2 2 325.460 2.122 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931223591 1206617439 /nfs/dbraw/zinc/61/74/39/1206617439.db2.gz DMKYJTUWXQFHSJ-VAMGGRTRSA-N 2 2 330.472 2.170 10 0 EEAELP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931512675 1207401774 /nfs/dbraw/zinc/40/17/74/1207401774.db2.gz QVHVGKKQXUGRSL-OAHLLOKOSA-N 2 2 327.428 2.079 10 0 EEAELP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931512675 1207401776 /nfs/dbraw/zinc/40/17/76/1207401776.db2.gz QVHVGKKQXUGRSL-OAHLLOKOSA-N 2 2 327.428 2.079 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001490852173 1209760490 /nfs/dbraw/zinc/76/04/90/1209760490.db2.gz QGRBDPMKSKPFLO-SFHVURJKSA-N 2 2 340.471 2.176 10 0 EEAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903956129 1242708628 /nfs/dbraw/zinc/70/86/28/1242708628.db2.gz HMUISMQHFKXHEY-LBPRGKRZSA-N 2 2 332.778 2.461 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001491060488 1258621039 /nfs/dbraw/zinc/62/10/39/1258621039.db2.gz TXJACTXZOVKETM-BNOWGMLFSA-N 2 2 326.391 2.116 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC001488805742 1290205155 /nfs/dbraw/zinc/20/51/55/1290205155.db2.gz ONYVIQQTYXLFHP-UWUNEBHHSA-N 2 2 338.455 2.445 10 0 EEAELP O=C(NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490673895 1291558043 /nfs/dbraw/zinc/55/80/43/1291558043.db2.gz MCCHFJURLFFVRV-BRWVUGGUSA-N 2 2 328.460 2.498 10 0 EEAELP O=C(NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001490673895 1291558050 /nfs/dbraw/zinc/55/80/50/1291558050.db2.gz MCCHFJURLFFVRV-BRWVUGGUSA-N 2 2 328.460 2.498 10 0 EEAELP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001490761541 1291693392 /nfs/dbraw/zinc/69/33/92/1291693392.db2.gz BZNBBMZRAIFYSN-DLBZAZTESA-N 2 2 332.492 2.416 10 0 EEAELP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001490761541 1291693401 /nfs/dbraw/zinc/69/34/01/1291693401.db2.gz BZNBBMZRAIFYSN-DLBZAZTESA-N 2 2 332.492 2.416 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001490794285 1291738043 /nfs/dbraw/zinc/73/80/43/1291738043.db2.gz YAYZAEOVBUGRDA-QOPWDLMFSA-N 2 2 342.487 2.477 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001490794285 1291738052 /nfs/dbraw/zinc/73/80/52/1291738052.db2.gz YAYZAEOVBUGRDA-QOPWDLMFSA-N 2 2 342.487 2.477 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C(=O)C=C3CC[NH2+]CC3)CC2)cc1 ZINC000852857309 1292216222 /nfs/dbraw/zinc/21/62/22/1292216222.db2.gz OZJPHCBPZFTBJM-UHFFFAOYSA-N 2 2 343.471 2.039 10 0 EEAELP COc1ccccc1[C@H](O)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000853238121 1292337742 /nfs/dbraw/zinc/33/77/42/1292337742.db2.gz ZYTRKAVBUPQIJA-QGZVFWFLSA-N 2 2 327.428 2.382 10 0 EEAELP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000858142851 1294020793 /nfs/dbraw/zinc/02/07/93/1294020793.db2.gz OURDLEWKFPUUJP-MSOLQXFVSA-N 2 2 329.419 2.193 10 0 EEAELP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000858142851 1294020800 /nfs/dbraw/zinc/02/08/00/1294020800.db2.gz OURDLEWKFPUUJP-MSOLQXFVSA-N 2 2 329.419 2.193 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC1(C)CC[NH+](CCCCCF)CC1 ZINC001278087113 1305908410 /nfs/dbraw/zinc/90/84/10/1305908410.db2.gz BBJDUJAKRSRYHO-UHFFFAOYSA-N 2 2 338.471 2.463 10 0 EEAELP CCOCCC[NH2+][C@H]1C[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001264426005 1322698623 /nfs/dbraw/zinc/69/86/23/1322698623.db2.gz OCLFQJGCMBVINQ-CTYIDZIISA-N 2 2 330.432 2.088 10 0 EEAELP Cc1nocc1C[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265000753 1322846810 /nfs/dbraw/zinc/84/68/10/1322846810.db2.gz CFBSSBIOTXSSOE-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP Cc1nocc1C[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265000753 1322846818 /nfs/dbraw/zinc/84/68/18/1322846818.db2.gz CFBSSBIOTXSSOE-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC001265235328 1323000911 /nfs/dbraw/zinc/00/09/11/1323000911.db2.gz NGDJYDGGKTUYFM-CYBMUJFWSA-N 2 2 332.370 2.196 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC001265235328 1323000913 /nfs/dbraw/zinc/00/09/13/1323000913.db2.gz NGDJYDGGKTUYFM-CYBMUJFWSA-N 2 2 332.370 2.196 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCCc2ccccc2Cl)C1 ZINC001265451661 1323162706 /nfs/dbraw/zinc/16/27/06/1323162706.db2.gz XYAVHZYEMCUMEZ-HNNXBMFYSA-N 2 2 346.862 2.429 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001265989747 1323548546 /nfs/dbraw/zinc/54/85/46/1323548546.db2.gz HSBKCUQWYDEWNQ-HOTGVXAUSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1ccncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282155951 1325635889 /nfs/dbraw/zinc/63/58/89/1325635889.db2.gz KQSBWGYTKWDCPL-LSDHHAIUSA-N 2 2 337.427 2.334 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccccn1)NC(=O)c1cccc2[nH+]ccn21 ZINC001283206263 1325955392 /nfs/dbraw/zinc/95/53/92/1325955392.db2.gz ZFXBEPIGDFYTGL-HNNXBMFYSA-N 2 2 337.427 2.418 10 0 EEAELP CCOCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001283983241 1326349937 /nfs/dbraw/zinc/34/99/37/1326349937.db2.gz RXHBQBKTICJOPV-PBHICJAKSA-N 2 2 344.459 2.262 10 0 EEAELP COc1cc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C ZINC001491596877 1330178919 /nfs/dbraw/zinc/17/89/19/1330178919.db2.gz WMSIIGVJJCWVLQ-HZPDHXFCSA-N 2 2 344.459 2.446 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CCC[C@@H]2CCOC2)C1 ZINC001491962507 1330357180 /nfs/dbraw/zinc/35/71/80/1330357180.db2.gz FDZKDZBBPHSEOV-IAGOWNOFSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CCC[C@@H]2CCOC2)C1 ZINC001491962507 1330357181 /nfs/dbraw/zinc/35/71/81/1330357181.db2.gz FDZKDZBBPHSEOV-IAGOWNOFSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]CCOC3CCC3)ccn12 ZINC001492024914 1330451176 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/nfs/dbraw/zinc/49/58/32/1355495832.db2.gz RAFGJKALGSIIBS-UHFFFAOYSA-N 2 2 340.471 2.413 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001666462713 1355529115 /nfs/dbraw/zinc/52/91/15/1355529115.db2.gz OSLVOMMVPBVOEU-MRXNPFEDSA-N 2 2 332.473 2.227 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCc1ccccc1 ZINC001667395397 1355732075 /nfs/dbraw/zinc/73/20/75/1355732075.db2.gz ZVNJXWRFUYWDIB-LPHOPBHVSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1ncc(C[NH2+]C/C=C/CNC(=O)c2cccc3[nH+]ccn32)s1 ZINC001668929849 1356047156 /nfs/dbraw/zinc/04/71/56/1356047156.db2.gz KGUBTXLZRHRWOU-NSCUHMNNSA-N 2 2 341.440 2.175 10 0 EEAELP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC001668994944 1356062842 /nfs/dbraw/zinc/06/28/42/1356062842.db2.gz DLEBSOQNQUZZGW-RTRPANQVSA-N 2 2 348.491 2.175 10 0 EEAELP CCC[N@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC001668994944 1356062848 /nfs/dbraw/zinc/06/28/48/1356062848.db2.gz DLEBSOQNQUZZGW-RTRPANQVSA-N 2 2 348.491 2.175 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1F ZINC001672869573 1356603644 /nfs/dbraw/zinc/60/36/44/1356603644.db2.gz UANXIIJJCXRLLI-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001672874006 1356603894 /nfs/dbraw/zinc/60/38/94/1356603894.db2.gz BRRATJBYUHZSMS-GDBMZVCRSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)sc1C ZINC001672885978 1356607038 /nfs/dbraw/zinc/60/70/38/1356607038.db2.gz STFLEVFCCCOWSJ-CQSZACIVSA-N 2 2 347.488 2.054 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001673074886 1356643361 /nfs/dbraw/zinc/64/33/61/1356643361.db2.gz DGYMJXRLYYRLRY-LJQANCHMSA-N 2 2 347.503 2.369 10 0 EEAELP CCCCC[N@H+]1CCOC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001673074886 1356643366 /nfs/dbraw/zinc/64/33/66/1356643366.db2.gz DGYMJXRLYYRLRY-LJQANCHMSA-N 2 2 347.503 2.369 10 0 EEAELP COCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001673651764 1356728466 /nfs/dbraw/zinc/72/84/66/1356728466.db2.gz ZVTLFIGMAUDUFH-LJQANCHMSA-N 2 2 348.491 2.038 10 0 EEAELP COCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001673651764 1356728469 /nfs/dbraw/zinc/72/84/69/1356728469.db2.gz ZVTLFIGMAUDUFH-LJQANCHMSA-N 2 2 348.491 2.038 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCOCC1 ZINC001673752241 1356742189 /nfs/dbraw/zinc/74/21/89/1356742189.db2.gz ZXIGAZYTXRNPID-UHFFFAOYSA-N 2 2 348.491 2.096 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(Cl)nc1)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001674760575 1356891019 /nfs/dbraw/zinc/89/10/19/1356891019.db2.gz KGYPXFQKNNEIDK-OLZOCXBDSA-N 2 2 349.866 2.084 10 0 EEAELP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001675323072 1356964820 /nfs/dbraw/zinc/96/48/20/1356964820.db2.gz VGWUZJHPCQLLQA-UZYOAWRESA-N 2 2 334.464 2.143 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH+]cn2C)cc1 ZINC001698858869 1405114261 /nfs/dbraw/zinc/11/42/61/1405114261.db2.gz WFYBQADQYSCZBP-KRWDZBQOSA-N 2 2 342.487 2.340 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001699139344 1405289061 /nfs/dbraw/zinc/28/90/61/1405289061.db2.gz QJWVQEGUNYVHAQ-HZPDHXFCSA-N 2 2 329.448 2.222 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)Cc1c[nH]c[nH+]1 ZINC001699420097 1405352783 /nfs/dbraw/zinc/35/27/83/1405352783.db2.gz DUPDCEGMDCGQPK-GOEBONIOSA-N 2 2 326.444 2.167 10 0 EEAELP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000912808859 788377425 /nfs/dbraw/zinc/37/74/25/788377425.db2.gz BDTYTOIJTFIDME-YJBOKZPZSA-N 2 2 341.459 2.460 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C[N@@H+]1CCc2ccccc2C1 ZINC000921525310 788844456 /nfs/dbraw/zinc/84/44/56/788844456.db2.gz QMWADSUDULATPT-GFOJFJKKSA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C[N@H+]1CCc2ccccc2C1 ZINC000921525310 788844466 /nfs/dbraw/zinc/84/44/66/788844466.db2.gz QMWADSUDULATPT-GFOJFJKKSA-N 2 2 344.499 2.200 10 0 EEAELP O=C1O[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CN1C1CC1 ZINC000844316306 789021485 /nfs/dbraw/zinc/02/14/85/789021485.db2.gz CGJNFPHCRAVJQN-KRWDZBQOSA-N 2 2 332.448 2.359 10 0 EEAELP Cc1cnc(Cl)c(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000921715070 795590669 /nfs/dbraw/zinc/59/06/69/795590669.db2.gz BASHLCFOFHZXAF-UHFFFAOYSA-N 2 2 338.883 2.076 10 0 EEAELP CC(C)C[N@H+](C1CN(C(=O)Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000581799652 803097408 /nfs/dbraw/zinc/09/74/08/803097408.db2.gz DFFQGFLZCITHQD-UHFFFAOYSA-N 2 2 343.515 2.492 10 0 EEAELP CC(C)C[N@@H+](C1CN(C(=O)Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000581799652 803097415 /nfs/dbraw/zinc/09/74/15/803097415.db2.gz DFFQGFLZCITHQD-UHFFFAOYSA-N 2 2 343.515 2.492 10 0 EEAELP Cc1cnc(-c2ccncc2)n1CC1C[NH+](C2CC[NH+](C)CC2)C1 ZINC000581808013 803107398 /nfs/dbraw/zinc/10/73/98/803107398.db2.gz JNZAUQRDJBJWJO-UHFFFAOYSA-N 2 2 325.460 2.280 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1C[N@H+](C)C/C=C\Cl ZINC001436493691 1087995772 /nfs/dbraw/zinc/99/57/72/1087995772.db2.gz BFNUNCGIWKJCSW-GEZBDVBVSA-N 2 2 338.883 2.418 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCCC[C@H]1C[N@@H+](C)C/C=C\Cl ZINC001436493691 1087995783 /nfs/dbraw/zinc/99/57/83/1087995783.db2.gz BFNUNCGIWKJCSW-GEZBDVBVSA-N 2 2 338.883 2.418 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](C/C(Cl)=C\Cl)CC2 ZINC001436760109 1088275109 /nfs/dbraw/zinc/27/51/09/1088275109.db2.gz UKJGTTXXKJAMGR-RSKUSDAESA-N 2 2 334.291 2.228 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001437132920 1089121566 /nfs/dbraw/zinc/12/15/66/1089121566.db2.gz RLUUWQFONLDQCT-CHWSQXEVSA-N 2 2 347.463 2.296 10 0 EEAELP COc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C ZINC001437156853 1089158487 /nfs/dbraw/zinc/15/84/87/1089158487.db2.gz KRSAIHHBNYKYSO-NUEKZKHPSA-N 2 2 342.443 2.125 10 0 EEAELP COc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C ZINC001437156853 1089158492 /nfs/dbraw/zinc/15/84/92/1089158492.db2.gz KRSAIHHBNYKYSO-NUEKZKHPSA-N 2 2 342.443 2.125 10 0 EEAELP C[C@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001437391827 1089644147 /nfs/dbraw/zinc/64/41/47/1089644147.db2.gz ZRHWVACHWLVNRL-ZBFHGGJFSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001437521981 1089945513 /nfs/dbraw/zinc/94/55/13/1089945513.db2.gz ATJNOMWZIKCPHS-OAHLLOKOSA-N 2 2 329.448 2.094 10 0 EEAELP Cc1ccc(C[N@H+](C)CCNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001437521981 1089945521 /nfs/dbraw/zinc/94/55/21/1089945521.db2.gz ATJNOMWZIKCPHS-OAHLLOKOSA-N 2 2 329.448 2.094 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001437710715 1090257826 /nfs/dbraw/zinc/25/78/26/1090257826.db2.gz KCBMUGRCUFOOHE-DNVCBOLYSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001437710715 1090257834 /nfs/dbraw/zinc/25/78/34/1090257834.db2.gz KCBMUGRCUFOOHE-DNVCBOLYSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001437710715 1090257838 /nfs/dbraw/zinc/25/78/38/1090257838.db2.gz KCBMUGRCUFOOHE-DNVCBOLYSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001437710715 1090257844 /nfs/dbraw/zinc/25/78/44/1090257844.db2.gz KCBMUGRCUFOOHE-DNVCBOLYSA-N 2 2 338.455 2.468 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1F ZINC001437881150 1090456642 /nfs/dbraw/zinc/45/66/42/1090456642.db2.gz PUWPRDAIVPJTIR-CALCHBBNSA-N 2 2 333.451 2.341 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1F ZINC001437881150 1090456643 /nfs/dbraw/zinc/45/66/43/1090456643.db2.gz PUWPRDAIVPJTIR-CALCHBBNSA-N 2 2 333.451 2.341 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1F ZINC001437881150 1090456644 /nfs/dbraw/zinc/45/66/44/1090456644.db2.gz PUWPRDAIVPJTIR-CALCHBBNSA-N 2 2 333.451 2.341 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1F ZINC001437881150 1090456646 /nfs/dbraw/zinc/45/66/46/1090456646.db2.gz PUWPRDAIVPJTIR-CALCHBBNSA-N 2 2 333.451 2.341 10 0 EEAELP Cc1cc(C[NH2+]C[C@@]2(NC(=O)Cn3cc[nH+]c3)CCCC[C@@H]2C)on1 ZINC001438434758 1090936062 /nfs/dbraw/zinc/93/60/62/1090936062.db2.gz SNSSKIMLJNORRM-KSSFIOAISA-N 2 2 345.447 2.034 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCc2ccc(F)cc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438712207 1091230484 /nfs/dbraw/zinc/23/04/84/1091230484.db2.gz GNDQQKYFASBLSO-CXAGYDPISA-N 2 2 330.407 2.146 10 0 EEAELP CC(C)[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1nccs1 ZINC001438830300 1091450118 /nfs/dbraw/zinc/45/01/18/1091450118.db2.gz CZBBZHNMMLPATA-ZIAGYGMSSA-N 2 2 335.477 2.221 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001438890655 1091537010 /nfs/dbraw/zinc/53/70/10/1091537010.db2.gz RDTSXTRAIAKBGF-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001438890655 1091537014 /nfs/dbraw/zinc/53/70/14/1091537014.db2.gz RDTSXTRAIAKBGF-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001438890655 1091537022 /nfs/dbraw/zinc/53/70/22/1091537022.db2.gz RDTSXTRAIAKBGF-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001438890655 1091537030 /nfs/dbraw/zinc/53/70/30/1091537030.db2.gz RDTSXTRAIAKBGF-GDBMZVCRSA-N 2 2 336.505 2.050 10 0 EEAELP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)Cc2nocc2C)C1 ZINC001445787227 1091654328 /nfs/dbraw/zinc/65/43/28/1091654328.db2.gz SPJPLMNXYOFIBX-HOTGVXAUSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)Cc2nocc2C)C1 ZINC001445787227 1091654332 /nfs/dbraw/zinc/65/43/32/1091654332.db2.gz SPJPLMNXYOFIBX-HOTGVXAUSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc2nocc2C)C1 ZINC001445787227 1091654338 /nfs/dbraw/zinc/65/43/38/1091654338.db2.gz SPJPLMNXYOFIBX-HOTGVXAUSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc2nocc2C)C1 ZINC001445787227 1091654342 /nfs/dbraw/zinc/65/43/42/1091654342.db2.gz SPJPLMNXYOFIBX-HOTGVXAUSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001439218895 1091863112 /nfs/dbraw/zinc/86/31/12/1091863112.db2.gz DALJXNIQRCUZIH-XJKSGUPXSA-N 2 2 347.463 2.370 10 0 EEAELP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001439218033 1091863334 /nfs/dbraw/zinc/86/33/34/1091863334.db2.gz YJOQOXBXGKWLMA-HNNXBMFYSA-N 2 2 332.492 2.437 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CC2)cc1C ZINC001446011854 1091994537 /nfs/dbraw/zinc/99/45/37/1091994537.db2.gz IQKNIDNRQASRGJ-GOSISDBHSA-N 2 2 326.444 2.185 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439483675 1092290058 /nfs/dbraw/zinc/29/00/58/1092290058.db2.gz AAHPDJBGZRAUTK-WBMJQRKESA-N 2 2 332.473 2.334 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439483675 1092290065 /nfs/dbraw/zinc/29/00/65/1092290065.db2.gz AAHPDJBGZRAUTK-WBMJQRKESA-N 2 2 332.473 2.334 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ncc(C(C)(C)C)o2)CC1 ZINC001446297246 1092462681 /nfs/dbraw/zinc/46/26/81/1092462681.db2.gz KJWHIBLDEHPGJN-UHFFFAOYSA-N 2 2 336.480 2.051 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2ncc(C(C)(C)C)o2)CC1 ZINC001446297246 1092462685 /nfs/dbraw/zinc/46/26/85/1092462685.db2.gz KJWHIBLDEHPGJN-UHFFFAOYSA-N 2 2 336.480 2.051 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001439856091 1092882031 /nfs/dbraw/zinc/88/20/31/1092882031.db2.gz PGIVQRSGGROHAF-GOSISDBHSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001439856091 1092882037 /nfs/dbraw/zinc/88/20/37/1092882037.db2.gz PGIVQRSGGROHAF-GOSISDBHSA-N 2 2 348.397 2.251 10 0 EEAELP C[C@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001439881911 1092931635 /nfs/dbraw/zinc/93/16/35/1092931635.db2.gz CMJHNPAXYYVUSL-FXAWDEMLSA-N 2 2 344.503 2.464 10 0 EEAELP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001440411882 1093605157 /nfs/dbraw/zinc/60/51/57/1093605157.db2.gz COBXHPBJGDSXGE-ZACQAIPSSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CCC[C@H]1CCOC1 ZINC001440510262 1093756399 /nfs/dbraw/zinc/75/63/99/1093756399.db2.gz OFMMGFWDVGKXSA-SQNIBIBYSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CCC[C@H]1CCOC1 ZINC001440510262 1093756403 /nfs/dbraw/zinc/75/64/03/1093756403.db2.gz OFMMGFWDVGKXSA-SQNIBIBYSA-N 2 2 348.491 2.059 10 0 EEAELP CCC1([NH2+]CCC2CCOCC2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001440536490 1093800876 /nfs/dbraw/zinc/80/08/76/1093800876.db2.gz LKPVYMRLMCPNJY-UHFFFAOYSA-N 2 2 348.491 2.061 10 0 EEAELP C[N@H+](CCC[C@@H]1CCOC1)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001440739179 1093988400 /nfs/dbraw/zinc/98/84/00/1093988400.db2.gz UGBGSAXCBFMTBI-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP C[N@@H+](CCC[C@@H]1CCOC1)C[C@@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001440739179 1093988404 /nfs/dbraw/zinc/98/84/04/1093988404.db2.gz UGBGSAXCBFMTBI-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1C[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C1 ZINC001449096070 1094105775 /nfs/dbraw/zinc/10/57/75/1094105775.db2.gz ZJBURGDBRHOSIV-ZDUSSCGKSA-N 2 2 346.397 2.132 10 0 EEAELP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001449101695 1094108633 /nfs/dbraw/zinc/10/86/33/1094108633.db2.gz YGTLTGJMIRTAEI-ZBFHGGJFSA-N 2 2 333.476 2.482 10 0 EEAELP C[C@@H](CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1)n1cc[nH+]c1 ZINC001449386661 1094360653 /nfs/dbraw/zinc/36/06/53/1094360653.db2.gz OSRYHVCRNZPCHE-NFOMZHRRSA-N 2 2 347.488 2.112 10 0 EEAELP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cccc(Cl)c2F)C1 ZINC001441185704 1094543761 /nfs/dbraw/zinc/54/37/61/1094543761.db2.gz ZJEFUDRVSHEPAP-LBPRGKRZSA-N 2 2 341.858 2.367 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)C1C[NH+](Cc2ccsc2)C1 ZINC001441212947 1094576496 /nfs/dbraw/zinc/57/64/96/1094576496.db2.gz XUCFWMRQTGCKPF-CYBMUJFWSA-N 2 2 332.473 2.051 10 0 EEAELP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001441866430 1095975998 /nfs/dbraw/zinc/97/59/98/1095975998.db2.gz GQCNNMATOLPKSB-DLBZAZTESA-N 2 2 340.471 2.357 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001442922510 1097333650 /nfs/dbraw/zinc/33/36/50/1097333650.db2.gz ZKKOASDHFUXFDY-ZIAGYGMSSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001442922510 1097333654 /nfs/dbraw/zinc/33/36/54/1097333654.db2.gz ZKKOASDHFUXFDY-ZIAGYGMSSA-N 2 2 340.418 2.216 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2cc(C)ns2)C1 ZINC001443216400 1097670567 /nfs/dbraw/zinc/67/05/67/1097670567.db2.gz WXNIGQIZXYBTJM-OAHLLOKOSA-N 2 2 347.488 2.161 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001443216400 1097670571 /nfs/dbraw/zinc/67/05/71/1097670571.db2.gz WXNIGQIZXYBTJM-OAHLLOKOSA-N 2 2 347.488 2.161 10 0 EEAELP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1scnc1C ZINC001443948636 1098468184 /nfs/dbraw/zinc/46/81/84/1098468184.db2.gz SKHAEJZYOZYBMK-AWEZNQCLSA-N 2 2 349.504 2.376 10 0 EEAELP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001443958987 1098478519 /nfs/dbraw/zinc/47/85/19/1098478519.db2.gz MTZJEVCTZVUQNI-CQSZACIVSA-N 2 2 347.463 2.162 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001444034403 1098553915 /nfs/dbraw/zinc/55/39/15/1098553915.db2.gz NEWHHOBSRQSCCH-UONOGXRCSA-N 2 2 328.407 2.193 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)[C@@H]1C ZINC001479724999 1098820403 /nfs/dbraw/zinc/82/04/03/1098820403.db2.gz YJOYNZJVOPHEJC-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(F)c2)[C@@H]1C ZINC001479724999 1098820411 /nfs/dbraw/zinc/82/04/11/1098820411.db2.gz YJOYNZJVOPHEJC-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)[C@@H]1C ZINC001479724999 1098820423 /nfs/dbraw/zinc/82/04/23/1098820423.db2.gz YJOYNZJVOPHEJC-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)[C@@H]1C ZINC001479724999 1098820436 /nfs/dbraw/zinc/82/04/36/1098820436.db2.gz YJOYNZJVOPHEJC-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+][C@@H]1CCc2ccccc21)C1CC1 ZINC001480063486 1099592382 /nfs/dbraw/zinc/59/23/82/1099592382.db2.gz QBRWCCVAYIBIEI-MJGOQNOKSA-N 2 2 338.455 2.433 10 0 EEAELP Cc1ccc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)c(C)c1 ZINC001480069760 1099606174 /nfs/dbraw/zinc/60/61/74/1099606174.db2.gz RPCNRHLJULWRRG-GOSISDBHSA-N 2 2 326.444 2.185 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480143868 1099711234 /nfs/dbraw/zinc/71/12/34/1099711234.db2.gz NSWIKWMDBBUBFV-KLHDSHLOSA-N 2 2 344.484 2.444 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480143868 1099711247 /nfs/dbraw/zinc/71/12/47/1099711247.db2.gz NSWIKWMDBBUBFV-KLHDSHLOSA-N 2 2 344.484 2.444 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001445117738 1100362437 /nfs/dbraw/zinc/36/24/37/1100362437.db2.gz LRQOYKPUQNQQFA-NVXWUHKLSA-N 2 2 332.492 2.292 10 0 EEAELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1F ZINC001480545703 1100379262 /nfs/dbraw/zinc/37/92/62/1100379262.db2.gz DZOLGNSHKGQEAG-STQMWFEESA-N 2 2 336.386 2.407 10 0 EEAELP Cc1nc(C[NH+]2CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC2)cs1 ZINC001446478516 1100906000 /nfs/dbraw/zinc/90/60/00/1100906000.db2.gz PTYLLXXZCLKFLK-UHFFFAOYSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1nc(C[NH+]2CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC2)cs1 ZINC001446478516 1100906008 /nfs/dbraw/zinc/90/60/08/1100906008.db2.gz PTYLLXXZCLKFLK-UHFFFAOYSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+]1CCC2(CO[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001446481776 1100913503 /nfs/dbraw/zinc/91/35/03/1100913503.db2.gz PAXHPPKNYVBYSM-SJORKVTESA-N 2 2 348.491 2.232 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001496353889 1100948101 /nfs/dbraw/zinc/94/81/01/1100948101.db2.gz WRYPDUKWXCGXNB-HIFRSBDPSA-N 2 2 330.432 2.040 10 0 EEAELP C[C@](C[NH2+]C/C=C\Cl)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001495254690 1100951636 /nfs/dbraw/zinc/95/16/36/1100951636.db2.gz MWYKHBUAFKCPGU-WTPRAEHESA-N 2 2 336.867 2.073 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001496644503 1101247915 /nfs/dbraw/zinc/24/79/15/1101247915.db2.gz YWWNATCLCCCIND-OAHLLOKOSA-N 2 2 347.463 2.234 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1C[N@H+](CC=C(C)C)CCO1 ZINC001495843051 1101662810 /nfs/dbraw/zinc/66/28/10/1101662810.db2.gz ATQLGDMXKILAQV-SJORKVTESA-N 2 2 348.491 2.180 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1C[N@@H+](CC=C(C)C)CCO1 ZINC001495843051 1101662813 /nfs/dbraw/zinc/66/28/13/1101662813.db2.gz ATQLGDMXKILAQV-SJORKVTESA-N 2 2 348.491 2.180 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001496892877 1101678466 /nfs/dbraw/zinc/67/84/66/1101678466.db2.gz QVIDUPLWOKADPB-NVXWUHKLSA-N 2 2 331.460 2.307 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001497218984 1102142459 /nfs/dbraw/zinc/14/24/59/1102142459.db2.gz XSEQODYSKHCISP-WMZOPIPTSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001497317644 1102309410 /nfs/dbraw/zinc/30/94/10/1102309410.db2.gz NCJXRWBISNXDIM-ZDUSSCGKSA-N 2 2 332.423 2.393 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)Cc1c[nH+]cn1C ZINC001497484230 1102560974 /nfs/dbraw/zinc/56/09/74/1102560974.db2.gz JYFBQNQTMXKXLI-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2[nH+]ccn2C)c(C)n1 ZINC001447873440 1103490900 /nfs/dbraw/zinc/49/09/00/1103490900.db2.gz AORMKHDCUXCPBG-HUUCEWRRSA-N 2 2 343.475 2.048 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001447898529 1103547771 /nfs/dbraw/zinc/54/77/71/1103547771.db2.gz CFEMHWDUZMJIET-GHMZBOCLSA-N 2 2 338.814 2.428 10 0 EEAELP Cc1ncsc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001447934042 1103634438 /nfs/dbraw/zinc/63/44/38/1103634438.db2.gz DGEBAJICDWCZLG-OLZOCXBDSA-N 2 2 335.477 2.111 10 0 EEAELP Cc1ncoc1C[NH2+]C1CCC(N(C)C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001447934133 1103635213 /nfs/dbraw/zinc/63/52/13/1103635213.db2.gz YVZFCJCHABKVPJ-UHFFFAOYSA-N 2 2 345.447 2.198 10 0 EEAELP Cc1ncoc1C[NH2+]C1CCC(N(C)C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001447934133 1103635220 /nfs/dbraw/zinc/63/52/20/1103635220.db2.gz YVZFCJCHABKVPJ-UHFFFAOYSA-N 2 2 345.447 2.198 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1conc1C ZINC001448037490 1103861361 /nfs/dbraw/zinc/86/13/61/1103861361.db2.gz MAEUXQITIPVUKJ-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1conc1C ZINC001448037490 1103861370 /nfs/dbraw/zinc/86/13/70/1103861370.db2.gz MAEUXQITIPVUKJ-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1C[NH+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001494576153 1104164411 /nfs/dbraw/zinc/16/44/11/1104164411.db2.gz JPHZODKANCNZGK-AWEZNQCLSA-N 2 2 340.418 2.147 10 0 EEAELP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1 ZINC001494850929 1104453003 /nfs/dbraw/zinc/45/30/03/1104453003.db2.gz NMKVZDAAKCYRSH-SJLPKXTDSA-N 2 2 341.459 2.271 10 0 EEAELP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)c1 ZINC001494850929 1104453006 /nfs/dbraw/zinc/45/30/06/1104453006.db2.gz NMKVZDAAKCYRSH-SJLPKXTDSA-N 2 2 341.459 2.271 10 0 EEAELP O=C([C@H]1CCCC[N@H+]1Cc1cccc(F)c1)N1CC([NH+]2CCCC2)C1 ZINC001453117047 1105950909 /nfs/dbraw/zinc/95/09/09/1105950909.db2.gz CIJIYSYEOKKBCZ-LJQANCHMSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@H]1CCCC[N@@H+]1Cc1cccc(F)c1)N1CC([NH+]2CCCC2)C1 ZINC001453117047 1105950910 /nfs/dbraw/zinc/95/09/10/1105950910.db2.gz CIJIYSYEOKKBCZ-LJQANCHMSA-N 2 2 345.462 2.487 10 0 EEAELP CC[N@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C[C@@H]1CC(C)(C)CO1 ZINC001493025745 1107331144 /nfs/dbraw/zinc/33/11/44/1107331144.db2.gz UAIQVWZUKSCRLB-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP CC[N@@H+](CCNC(=O)C[C@@H](C)n1cc[nH+]c1)C[C@@H]1CC(C)(C)CO1 ZINC001493025745 1107331159 /nfs/dbraw/zinc/33/11/59/1107331159.db2.gz UAIQVWZUKSCRLB-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CC(F)(F)C(F)F ZINC001498656851 1107908490 /nfs/dbraw/zinc/90/84/90/1107908490.db2.gz BSJRATKHPFXGSU-VXGBXAGGSA-N 2 2 341.393 2.198 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001498768824 1108063770 /nfs/dbraw/zinc/06/37/70/1108063770.db2.gz IFGFXYRXPJUVNH-LBPRGKRZSA-N 2 2 331.247 2.146 10 0 EEAELP CC1(C)CC(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)C1 ZINC001498775426 1108076405 /nfs/dbraw/zinc/07/64/05/1108076405.db2.gz SJUGRTANDHWRRK-OAGGEKHMSA-N 2 2 330.476 2.434 10 0 EEAELP CC1(C)CC(C[NH2+]C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)C1 ZINC001498775426 1108076419 /nfs/dbraw/zinc/07/64/19/1108076419.db2.gz SJUGRTANDHWRRK-OAGGEKHMSA-N 2 2 330.476 2.434 10 0 EEAELP Cc1ncoc1C[NH+]1CC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001499026566 1108473638 /nfs/dbraw/zinc/47/36/38/1108473638.db2.gz SIDGYDSNTKHOPR-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncoc1C[NH+]1CC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001499026566 1108473642 /nfs/dbraw/zinc/47/36/42/1108473642.db2.gz SIDGYDSNTKHOPR-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001499026566 1108473647 /nfs/dbraw/zinc/47/36/47/1108473647.db2.gz SIDGYDSNTKHOPR-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001499026566 1108473650 /nfs/dbraw/zinc/47/36/50/1108473650.db2.gz SIDGYDSNTKHOPR-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)c1 ZINC001493726856 1108575673 /nfs/dbraw/zinc/57/56/73/1108575673.db2.gz UKZZFLCXMLJQPL-MRXNPFEDSA-N 2 2 328.460 2.453 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)c1 ZINC001493726856 1108575681 /nfs/dbraw/zinc/57/56/81/1108575681.db2.gz UKZZFLCXMLJQPL-MRXNPFEDSA-N 2 2 328.460 2.453 10 0 EEAELP C[C@@H]1C[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)CCN1c1cc[nH+]cc1 ZINC001460701869 1110321524 /nfs/dbraw/zinc/32/15/24/1110321524.db2.gz BQJZODUONANWSQ-APWZRJJASA-N 2 2 336.439 2.398 10 0 EEAELP C[C@@H]1C[N@H+]([C@H]2CCN(c3ccccc3)C2=O)CCN1c1cc[nH+]cc1 ZINC001460701869 1110321526 /nfs/dbraw/zinc/32/15/26/1110321526.db2.gz BQJZODUONANWSQ-APWZRJJASA-N 2 2 336.439 2.398 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001479223916 1110662178 /nfs/dbraw/zinc/66/21/78/1110662178.db2.gz FTVICJXIBZVICU-XPQDNOAISA-N 2 2 330.476 2.335 10 0 EEAELP COc1ccc(C)cc1C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001499128202 1112138871 /nfs/dbraw/zinc/13/88/71/1112138871.db2.gz UTECYRYWIZGMCX-QGZVFWFLSA-N 2 2 333.476 2.034 10 0 EEAELP COc1ccc(C)cc1C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001499128202 1112138872 /nfs/dbraw/zinc/13/88/72/1112138872.db2.gz UTECYRYWIZGMCX-QGZVFWFLSA-N 2 2 333.476 2.034 10 0 EEAELP COc1ccc(C)cc1C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001499128202 1112138877 /nfs/dbraw/zinc/13/88/77/1112138877.db2.gz UTECYRYWIZGMCX-QGZVFWFLSA-N 2 2 333.476 2.034 10 0 EEAELP COc1ccc(C)cc1C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001499128202 1112138880 /nfs/dbraw/zinc/13/88/80/1112138880.db2.gz UTECYRYWIZGMCX-QGZVFWFLSA-N 2 2 333.476 2.034 10 0 EEAELP Cc1ccc(C)c(C[NH+]2CC(N(C)C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001499687186 1112444263 /nfs/dbraw/zinc/44/42/63/1112444263.db2.gz VEIDGIHTNNRDBD-UHFFFAOYSA-N 2 2 329.488 2.430 10 0 EEAELP Cc1ccc(C)c(C[NH+]2CC(N(C)C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001499687186 1112444265 /nfs/dbraw/zinc/44/42/65/1112444265.db2.gz VEIDGIHTNNRDBD-UHFFFAOYSA-N 2 2 329.488 2.430 10 0 EEAELP 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1113667019 /nfs/dbraw/zinc/66/70/19/1113667019.db2.gz OWXLTCVLIUBBAD-HUUCEWRRSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)o1 ZINC001502401582 1113667021 /nfs/dbraw/zinc/66/70/21/1113667021.db2.gz OWXLTCVLIUBBAD-HUUCEWRRSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC3CCOCC3)ccn12 ZINC001505605794 1114081300 /nfs/dbraw/zinc/08/13/00/1114081300.db2.gz JKMRGXIHEXLCEC-CABCVRRESA-N 2 2 344.459 2.166 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC001505768504 1114180099 /nfs/dbraw/zinc/18/00/99/1114180099.db2.gz OCAKXVHZHYLQEU-VXGBXAGGSA-N 2 2 338.814 2.359 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC001568346580 1124429824 /nfs/dbraw/zinc/42/98/24/1124429824.db2.gz KGMLTABNPISUGO-IAGOWNOFSA-N 2 2 348.491 2.176 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001568922581 1124950604 /nfs/dbraw/zinc/95/06/04/1124950604.db2.gz ZIWLDUATRTVGHH-GRFNRIFCSA-N 2 2 338.455 2.294 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c(C)n1 ZINC001569258222 1125200562 /nfs/dbraw/zinc/20/05/62/1125200562.db2.gz RIMRXOQNZRKOEC-UHFFFAOYSA-N 2 2 343.475 2.337 10 0 EEAELP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@H]1[NH2+]CCCOC ZINC001569338280 1125238590 /nfs/dbraw/zinc/23/85/90/1125238590.db2.gz KHDDEVXUSMYRSO-GDBMZVCRSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCC1 ZINC000131350489 539415676 /nfs/dbraw/zinc/41/56/76/539415676.db2.gz XZDRPZUKKZMQLL-INIZCTEOSA-N 2 2 336.524 2.425 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101866121 219168481 /nfs/dbraw/zinc/16/84/81/219168481.db2.gz FQUCCKNHDBDZRY-UHFFFAOYSA-N 2 2 342.443 2.301 10 0 EEAELP CCc1cccc(F)c1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354326326 539897449 /nfs/dbraw/zinc/89/74/49/539897449.db2.gz CYNJSNNEDWGTKZ-UHFFFAOYSA-N 2 2 335.467 2.420 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3scnc3C3CC3)CC2)cc[nH+]1 ZINC000494965807 539973175 /nfs/dbraw/zinc/97/31/75/539973175.db2.gz ZVRAWHDHVTZYFO-UHFFFAOYSA-N 2 2 344.488 2.199 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(I)o1 ZINC000037320230 213140241 /nfs/dbraw/zinc/14/02/41/213140241.db2.gz OAFNLZXNVHLSTJ-VIFPVBQESA-N 2 2 331.157 2.259 10 0 EEAELP COc1cccc(C(=O)N2C[C@H](C)[NH+](CCC[NH+](C)C)[C@@H](C)C2)c1 ZINC000036124848 213071395 /nfs/dbraw/zinc/07/13/95/213071395.db2.gz GOIAEKQKIDFBIU-HOTGVXAUSA-N 2 2 333.476 2.182 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nc(C3CC3)no2)nc[nH+]1 ZINC000072276622 216103285 /nfs/dbraw/zinc/10/32/85/216103285.db2.gz BRZMHWPCANVDHG-YPMHNXCESA-N 2 2 343.435 2.098 10 0 EEAELP Ic1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000037648838 213162084 /nfs/dbraw/zinc/16/20/84/213162084.db2.gz FBRQPAHBYLZISM-SNVBAGLBSA-N 2 2 346.212 2.458 10 0 EEAELP Ic1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000037648838 213162086 /nfs/dbraw/zinc/16/20/86/213162086.db2.gz FBRQPAHBYLZISM-SNVBAGLBSA-N 2 2 346.212 2.458 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416175497 239099945 /nfs/dbraw/zinc/09/99/45/239099945.db2.gz DXZBEYJMWNUBTA-GOSISDBHSA-N 2 2 338.455 2.184 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416175497 239099950 /nfs/dbraw/zinc/09/99/50/239099950.db2.gz DXZBEYJMWNUBTA-GOSISDBHSA-N 2 2 338.455 2.184 10 0 EEAELP FC(F)(F)Oc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422794475 240229665 /nfs/dbraw/zinc/22/96/65/240229665.db2.gz GTBFAXBBBHYXRH-LSDHHAIUSA-N 2 2 330.350 2.442 10 0 EEAELP C[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1nc(-c2ccccc2)no1 ZINC000423011947 240330290 /nfs/dbraw/zinc/33/02/90/240330290.db2.gz JROHXDPUMWVERC-XOKHGSTOSA-N 2 2 342.443 2.197 10 0 EEAELP C[C@H](NC(=O)Nc1ccccc1N1CC[NH+](C)CC1)c1[nH]cc[nH+]1 ZINC000225837551 242057482 /nfs/dbraw/zinc/05/74/82/242057482.db2.gz JSAHXGDUEPUECV-ZDUSSCGKSA-N 2 2 328.420 2.044 10 0 EEAELP Cc1[nH+]cc(CN2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)n1-c1ccccc1 ZINC000245740656 243150493 /nfs/dbraw/zinc/15/04/93/243150493.db2.gz LSXLWDLRVIMUAU-JKSUJKDBSA-N 2 2 328.460 2.068 10 0 EEAELP Cc1[nH+]cc(CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)n1-c1ccccc1 ZINC000245740656 243150500 /nfs/dbraw/zinc/15/05/00/243150500.db2.gz LSXLWDLRVIMUAU-JKSUJKDBSA-N 2 2 328.460 2.068 10 0 EEAELP C[C@@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)CS(C)(=O)=O ZINC000459483783 245140278 /nfs/dbraw/zinc/14/02/78/245140278.db2.gz PNDFTTPQVWAPQM-HNNXBMFYSA-N 2 2 347.484 2.038 10 0 EEAELP C[C@H](O)C[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459501540 245147490 /nfs/dbraw/zinc/14/74/90/245147490.db2.gz FGUXDBNJFHRXOF-HNNXBMFYSA-N 2 2 337.895 2.307 10 0 EEAELP COC(=O)c1ccc([C@@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000111231133 220117876 /nfs/dbraw/zinc/11/78/76/220117876.db2.gz TYWZWTARJWIRGZ-CVEARBPZSA-N 2 2 349.475 2.229 10 0 EEAELP COC(=O)c1ccc([C@@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000111231133 220117878 /nfs/dbraw/zinc/11/78/78/220117878.db2.gz TYWZWTARJWIRGZ-CVEARBPZSA-N 2 2 349.475 2.229 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NCc1ccccc1F ZINC000084001263 217567968 /nfs/dbraw/zinc/56/79/68/217567968.db2.gz RLKJRPWFURRLGM-UKRRQHHQSA-N 2 2 330.407 2.194 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnn(C(C)C)c2)nc[nH+]1 ZINC000171841710 533052460 /nfs/dbraw/zinc/05/24/60/533052460.db2.gz SNEXEMNHWDAIEI-HNNXBMFYSA-N 2 2 329.452 2.054 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(OC)cc(C)[nH+]1 ZINC000349039969 285281800 /nfs/dbraw/zinc/28/18/00/285281800.db2.gz ZPIAZYOXEZICOS-SFHVURJKSA-N 3 2 334.508 2.247 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(OC)cc(C)[nH+]1 ZINC000349039969 285281802 /nfs/dbraw/zinc/28/18/02/285281802.db2.gz ZPIAZYOXEZICOS-SFHVURJKSA-N 3 2 334.508 2.247 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]3C[NH+](C)C)cn2c1 ZINC000268091127 256111951 /nfs/dbraw/zinc/11/19/51/256111951.db2.gz GDYYNAIYZVEAGD-INIZCTEOSA-N 2 2 346.500 2.429 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000268102301 256112774 /nfs/dbraw/zinc/11/27/74/256112774.db2.gz XBRQKTGLIDKOAK-MRXNPFEDSA-N 2 2 340.427 2.403 10 0 EEAELP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000154869654 224318435 /nfs/dbraw/zinc/31/84/35/224318435.db2.gz JLPATYLAUZJZJG-AWEZNQCLSA-N 2 2 349.475 2.415 10 0 EEAELP Cc1noc(CCC[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)n1 ZINC000328652264 258021224 /nfs/dbraw/zinc/02/12/24/258021224.db2.gz WHGSMUQSHNFNEN-WMZOPIPTSA-N 2 2 329.448 2.330 10 0 EEAELP Cc1noc(CCC[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)n1 ZINC000328652264 258021226 /nfs/dbraw/zinc/02/12/26/258021226.db2.gz WHGSMUQSHNFNEN-WMZOPIPTSA-N 2 2 329.448 2.330 10 0 EEAELP Cc1noc(CCC[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n1 ZINC000328652264 258021227 /nfs/dbraw/zinc/02/12/27/258021227.db2.gz WHGSMUQSHNFNEN-WMZOPIPTSA-N 2 2 329.448 2.330 10 0 EEAELP Cc1noc(CCC[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)n1 ZINC000328652264 258021229 /nfs/dbraw/zinc/02/12/29/258021229.db2.gz WHGSMUQSHNFNEN-WMZOPIPTSA-N 2 2 329.448 2.330 10 0 EEAELP Cc1ncsc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172753882 152114758 /nfs/dbraw/zinc/11/47/58/152114758.db2.gz STGJKGNYOHAQLQ-UHFFFAOYSA-N 2 2 336.505 2.132 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000263003122 152354913 /nfs/dbraw/zinc/35/49/13/152354913.db2.gz OYACLHAXFVSZMI-KBMXLJTQSA-N 2 2 337.414 2.153 10 0 EEAELP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Cn1cc[nH+]c1 ZINC000122186389 292271011 /nfs/dbraw/zinc/27/10/11/292271011.db2.gz RBFYUWULXIPBJP-HOTGVXAUSA-N 2 2 326.444 2.156 10 0 EEAELP COc1ccc([C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422946668 286376279 /nfs/dbraw/zinc/37/62/79/286376279.db2.gz XBFGBQAVAGUFPJ-LZQZEXGQSA-N 2 2 326.444 2.359 10 0 EEAELP COC(=O)c1ccccc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374202174 154001411 /nfs/dbraw/zinc/00/14/11/154001411.db2.gz ZZCBQVSURRVTQD-UHFFFAOYSA-N 2 2 342.399 2.014 10 0 EEAELP CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374207235 154004159 /nfs/dbraw/zinc/00/41/59/154004159.db2.gz IDYADBWNIDUMNP-UHFFFAOYSA-N 2 2 348.472 2.040 10 0 EEAELP CC(C)c1ncc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)s1 ZINC000093562680 159236780 /nfs/dbraw/zinc/23/67/80/159236780.db2.gz DLWKAZHLWPFETR-UHFFFAOYSA-N 2 2 346.504 2.445 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2OC)[C@@H](C)C1 ZINC000245427142 160233862 /nfs/dbraw/zinc/23/38/62/160233862.db2.gz LVOVPFCWYSBFLZ-FUHWJXTLSA-N 2 2 347.503 2.316 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2OC)[C@@H](C)C1 ZINC000245427142 160233863 /nfs/dbraw/zinc/23/38/63/160233863.db2.gz LVOVPFCWYSBFLZ-FUHWJXTLSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2OC)[C@@H](C)C1 ZINC000245427142 160233864 /nfs/dbraw/zinc/23/38/64/160233864.db2.gz LVOVPFCWYSBFLZ-FUHWJXTLSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2OC)[C@@H](C)C1 ZINC000245427142 160233866 /nfs/dbraw/zinc/23/38/66/160233866.db2.gz LVOVPFCWYSBFLZ-FUHWJXTLSA-N 2 2 347.503 2.316 10 0 EEAELP CCOCc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246617453 160286739 /nfs/dbraw/zinc/28/67/39/160286739.db2.gz GZIYSPIZJDEWMJ-QFBILLFUSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246617453 160286741 /nfs/dbraw/zinc/28/67/41/160286741.db2.gz GZIYSPIZJDEWMJ-QFBILLFUSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246617453 160286742 /nfs/dbraw/zinc/28/67/42/160286742.db2.gz GZIYSPIZJDEWMJ-QFBILLFUSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246617453 160286744 /nfs/dbraw/zinc/28/67/44/160286744.db2.gz GZIYSPIZJDEWMJ-QFBILLFUSA-N 2 2 347.503 2.254 10 0 EEAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247293813 160318355 /nfs/dbraw/zinc/31/83/55/160318355.db2.gz FEEWJGOQJVPHNZ-MAUKXSAKSA-N 2 2 342.443 2.091 10 0 EEAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247293813 160318356 /nfs/dbraw/zinc/31/83/56/160318356.db2.gz FEEWJGOQJVPHNZ-MAUKXSAKSA-N 2 2 342.443 2.091 10 0 EEAELP Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247651127 160330524 /nfs/dbraw/zinc/33/05/24/160330524.db2.gz PFOPSPBPVVHTJF-WMZOPIPTSA-N 2 2 326.444 2.391 10 0 EEAELP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247651127 160330525 /nfs/dbraw/zinc/33/05/25/160330525.db2.gz PFOPSPBPVVHTJF-WMZOPIPTSA-N 2 2 326.444 2.391 10 0 EEAELP C[C@H]1C[N@H+](CCc2cccc(F)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343722409 161162046 /nfs/dbraw/zinc/16/20/46/161162046.db2.gz FEOIICNZJNTJJI-YJBOKZPZSA-N 2 2 337.458 2.465 10 0 EEAELP C[C@H]1C[N@@H+](CCc2cccc(F)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343722409 161162047 /nfs/dbraw/zinc/16/20/47/161162047.db2.gz FEOIICNZJNTJJI-YJBOKZPZSA-N 2 2 337.458 2.465 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC000346697728 161393113 /nfs/dbraw/zinc/39/31/13/161393113.db2.gz GJUNEIXSFPZUPV-QDSNELGPSA-N 2 2 327.472 2.248 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000346697728 161393114 /nfs/dbraw/zinc/39/31/14/161393114.db2.gz GJUNEIXSFPZUPV-QDSNELGPSA-N 2 2 327.472 2.248 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](CC3CC3)CC1)C2 ZINC000364570423 165190736 /nfs/dbraw/zinc/19/07/36/165190736.db2.gz PFIARJHMHFYMST-HNNXBMFYSA-N 2 2 330.476 2.192 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](CC3CC3)CC1)CC2 ZINC000364570423 165190740 /nfs/dbraw/zinc/19/07/40/165190740.db2.gz PFIARJHMHFYMST-HNNXBMFYSA-N 2 2 330.476 2.192 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278297574 269221666 /nfs/dbraw/zinc/22/16/66/269221666.db2.gz GNPXOTKEEVTHMN-BETUJISGSA-N 2 2 331.468 2.116 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278297574 269221667 /nfs/dbraw/zinc/22/16/67/269221667.db2.gz GNPXOTKEEVTHMN-BETUJISGSA-N 2 2 331.468 2.116 10 0 EEAELP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000271440651 274131557 /nfs/dbraw/zinc/13/15/57/274131557.db2.gz CIPMUPOLPLFIBO-NVXWUHKLSA-N 2 2 339.842 2.435 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)cn2c1 ZINC000289547148 275126355 /nfs/dbraw/zinc/12/63/55/275126355.db2.gz KBJBQILZCYTMES-SFHVURJKSA-N 2 2 332.423 2.471 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)cn2c1 ZINC000289547148 275126356 /nfs/dbraw/zinc/12/63/56/275126356.db2.gz KBJBQILZCYTMES-SFHVURJKSA-N 2 2 332.423 2.471 10 0 EEAELP COCCC1(C)C[NH+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000290023735 275172119 /nfs/dbraw/zinc/17/21/19/275172119.db2.gz GKERUQJGXJQYBM-MRXNPFEDSA-N 2 2 331.460 2.372 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420394823 278194882 /nfs/dbraw/zinc/19/48/82/278194882.db2.gz CVEBDPLCUYXWKE-ILXRZTDVSA-N 2 2 333.501 2.431 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420394823 278194884 /nfs/dbraw/zinc/19/48/84/278194884.db2.gz CVEBDPLCUYXWKE-ILXRZTDVSA-N 2 2 333.501 2.431 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC000176592526 280670173 /nfs/dbraw/zinc/67/01/73/280670173.db2.gz CXBYAUJUBKFSRI-HUUCEWRRSA-N 2 2 347.507 2.484 10 0 EEAELP COc1nccnc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296983280 294120273 /nfs/dbraw/zinc/12/02/73/294120273.db2.gz VIUNKZHVJYECSZ-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP COc1nccnc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296983280 294120276 /nfs/dbraw/zinc/12/02/76/294120276.db2.gz VIUNKZHVJYECSZ-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000328703073 311613873 /nfs/dbraw/zinc/61/38/73/311613873.db2.gz XQMCTZYNNLODOK-GOEBONIOSA-N 2 2 344.846 2.272 10 0 EEAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000333366406 312136547 /nfs/dbraw/zinc/13/65/47/312136547.db2.gz LVNUXXAIBZOMIR-DOTOQJQBSA-N 2 2 345.491 2.259 10 0 EEAELP COc1cc2c(cc1C[NH2+]CCC[NH2+]Cc1cccnc1)OCO2 ZINC000414880146 313105739 /nfs/dbraw/zinc/10/57/39/313105739.db2.gz QENHRSPJDAPOHJ-UHFFFAOYSA-N 2 2 329.400 2.088 10 0 EEAELP C[C@H]([NH3+])c1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000417079563 313415762 /nfs/dbraw/zinc/41/57/62/313415762.db2.gz SFFNMLNKSADPKK-AWEZNQCLSA-N 2 2 341.459 2.281 10 0 EEAELP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417084185 313417077 /nfs/dbraw/zinc/41/70/77/313417077.db2.gz YHRNZVKXBBFWKM-KRWDZBQOSA-N 2 2 329.448 2.104 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2c1 ZINC000417182952 313442384 /nfs/dbraw/zinc/44/23/84/313442384.db2.gz AHUKPZHCPDQQPN-MZBDJJRSSA-N 2 2 327.432 2.067 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418251305 313765600 /nfs/dbraw/zinc/76/56/00/313765600.db2.gz JMUXSDVERQLDLZ-FZMZJTMJSA-N 2 2 333.823 2.157 10 0 EEAELP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418398023 313803704 /nfs/dbraw/zinc/80/37/04/313803704.db2.gz DRIAQQYUXYMKDO-GDBMZVCRSA-N 2 2 333.480 2.092 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418559080 313846523 /nfs/dbraw/zinc/84/65/23/313846523.db2.gz QPKAXLFESJXZGG-KRWUTGMMSA-N 2 2 342.487 2.025 10 0 EEAELP Cc1cc(CNC(=O)NCCC[NH2+]Cc2cccnc2)cc(C)[nH+]1 ZINC000422610737 314295185 /nfs/dbraw/zinc/29/51/85/314295185.db2.gz QLPPENYFQVNVCZ-UHFFFAOYSA-N 2 2 327.432 2.073 10 0 EEAELP CN(C)c1[nH+]cc(CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000425320188 314381525 /nfs/dbraw/zinc/38/15/25/314381525.db2.gz CEAJRRPUTHVEKP-QGZVFWFLSA-N 2 2 327.476 2.192 10 0 EEAELP CN(C)c1[nH+]cc(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000425320188 314381529 /nfs/dbraw/zinc/38/15/29/314381529.db2.gz CEAJRRPUTHVEKP-QGZVFWFLSA-N 2 2 327.476 2.192 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2ccc(OC(F)F)c(OC)c2)CC1 ZINC000519756381 316820965 /nfs/dbraw/zinc/82/09/65/316820965.db2.gz AADBZQUYUJXZLU-UHFFFAOYSA-N 2 2 344.402 2.497 10 0 EEAELP FC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000525978487 317100237 /nfs/dbraw/zinc/10/02/37/317100237.db2.gz LLMNBRRHGOOVBX-KRWDZBQOSA-N 2 2 332.467 2.418 10 0 EEAELP FC1(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)CC1 ZINC000525978487 317100239 /nfs/dbraw/zinc/10/02/39/317100239.db2.gz LLMNBRRHGOOVBX-KRWDZBQOSA-N 2 2 332.467 2.418 10 0 EEAELP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cn1 ZINC000527809638 317267375 /nfs/dbraw/zinc/26/73/75/317267375.db2.gz MMYIQFFAYSLVLO-SFHVURJKSA-N 2 2 332.492 2.271 10 0 EEAELP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cn1 ZINC000527809638 317267379 /nfs/dbraw/zinc/26/73/79/317267379.db2.gz MMYIQFFAYSLVLO-SFHVURJKSA-N 2 2 332.492 2.271 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528430117 317384893 /nfs/dbraw/zinc/38/48/93/317384893.db2.gz WIZQZSFLIALDOE-IRXDYDNUSA-N 2 2 343.471 2.475 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528430117 317384896 /nfs/dbraw/zinc/38/48/96/317384896.db2.gz WIZQZSFLIALDOE-IRXDYDNUSA-N 2 2 343.471 2.475 10 0 EEAELP O[C@@H](C[NH2+]Cc1cc(F)c(Br)cc1F)C[NH+]1CCCC1 ZINC000530241644 317703623 /nfs/dbraw/zinc/70/36/23/317703623.db2.gz KWKIQGIZSKERQD-NSHDSACASA-N 2 2 349.219 2.274 10 0 EEAELP C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1n1cc[nH+]c1 ZINC000543712797 318167402 /nfs/dbraw/zinc/16/74/02/318167402.db2.gz JSJYVAQSOLQKJI-RDJZCZTQSA-N 2 2 327.432 2.214 10 0 EEAELP CCC[NH+]1CCC(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000544037274 318178783 /nfs/dbraw/zinc/17/87/83/318178783.db2.gz BXPXPBBRBHUEEO-UHFFFAOYSA-N 2 2 345.491 2.096 10 0 EEAELP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000551654988 318466582 /nfs/dbraw/zinc/46/65/82/318466582.db2.gz PCJLZKRWXSREEW-UHFFFAOYSA-N 2 2 328.420 2.032 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000564323296 319078186 /nfs/dbraw/zinc/07/81/86/319078186.db2.gz HVVLOKXTTOHUTQ-QFBILLFUSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000564323296 319078188 /nfs/dbraw/zinc/07/81/88/319078188.db2.gz HVVLOKXTTOHUTQ-QFBILLFUSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000564323296 319078191 /nfs/dbraw/zinc/07/81/91/319078191.db2.gz HVVLOKXTTOHUTQ-QFBILLFUSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000564323296 319078194 /nfs/dbraw/zinc/07/81/94/319078194.db2.gz HVVLOKXTTOHUTQ-QFBILLFUSA-N 3 2 325.460 2.492 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000564859594 319119123 /nfs/dbraw/zinc/11/91/23/319119123.db2.gz HBYMSSKUOKFWEK-OAHLLOKOSA-N 2 2 327.350 2.175 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)Cn2cccn2)c(C)c1 ZINC000566116860 319247181 /nfs/dbraw/zinc/24/71/81/319247181.db2.gz QVDVYFISMBYDBA-MJGOQNOKSA-N 2 2 339.443 2.088 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)Cn2cccn2)c(C)c1 ZINC000566116855 319247191 /nfs/dbraw/zinc/24/71/91/319247191.db2.gz QVDVYFISMBYDBA-HKUYNNGSSA-N 2 2 339.443 2.088 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000566122079 319248154 /nfs/dbraw/zinc/24/81/54/319248154.db2.gz XCQTZWQBQARSQG-CQSZACIVSA-N 2 2 343.349 2.011 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cnc2n1 ZINC000566487609 319294610 /nfs/dbraw/zinc/29/46/10/319294610.db2.gz XXJBRARQLBUPNJ-KRWDZBQOSA-N 2 2 343.475 2.033 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CCC[C@H]([NH+]4CCOCC4)CC3)cnc2n1 ZINC000566487609 319294611 /nfs/dbraw/zinc/29/46/11/319294611.db2.gz XXJBRARQLBUPNJ-KRWDZBQOSA-N 2 2 343.475 2.033 10 0 EEAELP Cc1c[nH+]c(C)nc1N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000566866419 319328366 /nfs/dbraw/zinc/32/83/66/319328366.db2.gz LMGKVWDFQVYXBZ-UHFFFAOYSA-N 2 2 347.507 2.014 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000575013210 320079576 /nfs/dbraw/zinc/07/95/76/320079576.db2.gz HLMKXPMDDSSGEA-HUUCEWRRSA-N 2 2 335.496 2.018 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000576202848 320149949 /nfs/dbraw/zinc/14/99/49/320149949.db2.gz PNHLOBVMWKPRII-UHFFFAOYSA-N 2 2 333.480 2.309 10 0 EEAELP CC[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000577646743 320268085 /nfs/dbraw/zinc/26/80/85/320268085.db2.gz VDLBMXDBJARRJH-SFHVURJKSA-N 2 2 329.488 2.281 10 0 EEAELP CC[C@@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000577646743 320268086 /nfs/dbraw/zinc/26/80/86/320268086.db2.gz VDLBMXDBJARRJH-SFHVURJKSA-N 2 2 329.488 2.281 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000577762189 320274610 /nfs/dbraw/zinc/27/46/10/320274610.db2.gz FUCBGHVCBQPEON-IUODEOHRSA-N 2 2 325.403 2.026 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000577762189 320274612 /nfs/dbraw/zinc/27/46/12/320274612.db2.gz FUCBGHVCBQPEON-IUODEOHRSA-N 2 2 325.403 2.026 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)NCCc2cn(C)c[nH+]2)[NH+]2CCCC2)o1 ZINC000458185486 323604188 /nfs/dbraw/zinc/60/41/88/323604188.db2.gz LVAOJLWBIXEZLY-MRXNPFEDSA-N 2 2 345.447 2.000 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580462236 324069034 /nfs/dbraw/zinc/06/90/34/324069034.db2.gz ULFQMHBCJCBJGQ-WBVHZDCISA-N 2 2 326.868 2.068 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580462236 324069037 /nfs/dbraw/zinc/06/90/37/324069037.db2.gz ULFQMHBCJCBJGQ-WBVHZDCISA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580462236 324069040 /nfs/dbraw/zinc/06/90/40/324069040.db2.gz ULFQMHBCJCBJGQ-WBVHZDCISA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000580462236 324069042 /nfs/dbraw/zinc/06/90/42/324069042.db2.gz ULFQMHBCJCBJGQ-WBVHZDCISA-N 2 2 326.868 2.068 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)cn21 ZINC000581744538 324314707 /nfs/dbraw/zinc/31/47/07/324314707.db2.gz ZISNYQZUHWDFPM-INIZCTEOSA-N 2 2 327.432 2.021 10 0 EEAELP CC(C)OC[C@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000582177082 324396884 /nfs/dbraw/zinc/39/68/84/324396884.db2.gz YRDROAAVUGTTGQ-MRXNPFEDSA-N 2 2 330.538 2.114 10 0 EEAELP Cc1cc(NCCNC(=O)Nc2cc[nH+]cc2C)nc(C(C)C)[nH+]1 ZINC000626468685 450755266 /nfs/dbraw/zinc/75/52/66/450755266.db2.gz RUEZAZQNCNHSSA-UHFFFAOYSA-N 2 2 328.420 2.267 10 0 EEAELP O=S1(=O)CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358294298 465043251 /nfs/dbraw/zinc/04/32/51/465043251.db2.gz YTGAAQQOSNJXFD-XVLXNVKGSA-N 2 2 348.512 2.349 10 0 EEAELP O=S1(=O)CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358294298 465043255 /nfs/dbraw/zinc/04/32/55/465043255.db2.gz YTGAAQQOSNJXFD-XVLXNVKGSA-N 2 2 348.512 2.349 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000358311339 465050775 /nfs/dbraw/zinc/05/07/75/465050775.db2.gz YXOWUHODXNNXNI-WWGRRREGSA-N 2 2 330.394 2.396 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000358311339 465050781 /nfs/dbraw/zinc/05/07/81/465050781.db2.gz YXOWUHODXNNXNI-WWGRRREGSA-N 2 2 330.394 2.396 10 0 EEAELP CC(C)(C)n1ncc2c1nc[nH+]c2NC[C@H]1CCc2[nH+]ccn2C1 ZINC000328632202 465081307 /nfs/dbraw/zinc/08/13/07/465081307.db2.gz RSVPWMJKPJMVOX-GFCCVEGCSA-N 2 2 325.420 2.452 10 0 EEAELP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479542 465391069 /nfs/dbraw/zinc/39/10/69/465391069.db2.gz CUVBLSONJPXZKF-SJLPKXTDSA-N 2 2 335.492 2.432 10 0 EEAELP CC(C)COC[C@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479542 465391075 /nfs/dbraw/zinc/39/10/75/465391075.db2.gz CUVBLSONJPXZKF-SJLPKXTDSA-N 2 2 335.492 2.432 10 0 EEAELP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000535557898 468314157 /nfs/dbraw/zinc/31/41/57/468314157.db2.gz BYVUJUXNUTWKFF-CQSZACIVSA-N 2 2 338.415 2.353 10 0 EEAELP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000535557896 468314504 /nfs/dbraw/zinc/31/45/04/468314504.db2.gz BYVUJUXNUTWKFF-AWEZNQCLSA-N 2 2 338.415 2.353 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCc1c[nH+]c3n1CCCC3)C2 ZINC000552443582 468328582 /nfs/dbraw/zinc/32/85/82/468328582.db2.gz UUBHSIZIMNHYGF-ZDUSSCGKSA-N 2 2 341.459 2.487 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCc1c[nH+]c3n1CCCC3)CC2 ZINC000552443582 468328587 /nfs/dbraw/zinc/32/85/87/468328587.db2.gz UUBHSIZIMNHYGF-ZDUSSCGKSA-N 2 2 341.459 2.487 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)CCn2cc[nH+]c2)CC1 ZINC000078382194 463111575 /nfs/dbraw/zinc/11/15/75/463111575.db2.gz UORAEFIGTQSKMK-UHFFFAOYSA-N 2 2 327.432 2.054 10 0 EEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000079103704 463189778 /nfs/dbraw/zinc/18/97/78/463189778.db2.gz ZFFGIRLUECBATA-KRWDZBQOSA-N 2 2 347.507 2.457 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000069779191 463324778 /nfs/dbraw/zinc/32/47/78/463324778.db2.gz CVOYJYXEVGGURJ-LSDHHAIUSA-N 2 2 330.432 2.375 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000069779191 463324783 /nfs/dbraw/zinc/32/47/83/463324783.db2.gz CVOYJYXEVGGURJ-LSDHHAIUSA-N 2 2 330.432 2.375 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000069779189 463325155 /nfs/dbraw/zinc/32/51/55/463325155.db2.gz CVOYJYXEVGGURJ-HUUCEWRRSA-N 2 2 330.432 2.375 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Cn2cc[nH+]c2)o1 ZINC000069779189 463325161 /nfs/dbraw/zinc/32/51/61/463325161.db2.gz CVOYJYXEVGGURJ-HUUCEWRRSA-N 2 2 330.432 2.375 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2sc(C)nc2C)nc[nH+]1 ZINC000123665216 463359811 /nfs/dbraw/zinc/35/98/11/463359811.db2.gz UGBANSPVXFZOFL-CYBMUJFWSA-N 2 2 332.477 2.350 10 0 EEAELP C[N@H+](C[C@@](C)(O)c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863601 463480244 /nfs/dbraw/zinc/48/02/44/463480244.db2.gz IOKZQMYHTQFCHR-HXUWFJFHSA-N 2 2 342.487 2.187 10 0 EEAELP C[N@@H+](C[C@@](C)(O)c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863601 463480246 /nfs/dbraw/zinc/48/02/46/463480246.db2.gz IOKZQMYHTQFCHR-HXUWFJFHSA-N 2 2 342.487 2.187 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000105897258 463492314 /nfs/dbraw/zinc/49/23/14/463492314.db2.gz LAZFKSGVJHSABE-MRXNPFEDSA-N 2 2 330.476 2.387 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000105897258 463492319 /nfs/dbraw/zinc/49/23/19/463492319.db2.gz LAZFKSGVJHSABE-MRXNPFEDSA-N 2 2 330.476 2.387 10 0 EEAELP COCc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1OC ZINC000151314493 463511952 /nfs/dbraw/zinc/51/19/52/463511952.db2.gz IPSACCONVKCEMA-QAPCUYQASA-N 2 2 336.476 2.339 10 0 EEAELP C[C@@H](CNC(=O)C[N@@H+]1CCc2sccc2C1)C[NH+]1CCCCC1 ZINC000058820506 463625091 /nfs/dbraw/zinc/62/50/91/463625091.db2.gz KAEXKBFRFWSQQW-HNNXBMFYSA-N 2 2 335.517 2.344 10 0 EEAELP C[C@@H](CNC(=O)C[N@H+]1CCc2sccc2C1)C[NH+]1CCCCC1 ZINC000058820506 463625095 /nfs/dbraw/zinc/62/50/95/463625095.db2.gz KAEXKBFRFWSQQW-HNNXBMFYSA-N 2 2 335.517 2.344 10 0 EEAELP CC[C@H](C)[N@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171041310 463767468 /nfs/dbraw/zinc/76/74/68/463767468.db2.gz BKSPJSCUMSOUDS-INIZCTEOSA-N 2 2 343.475 2.461 10 0 EEAELP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171041310 463767470 /nfs/dbraw/zinc/76/74/70/463767470.db2.gz BKSPJSCUMSOUDS-INIZCTEOSA-N 2 2 343.475 2.461 10 0 EEAELP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000261720702 463839018 /nfs/dbraw/zinc/83/90/18/463839018.db2.gz FBGROCRJDZWFTH-MRXNPFEDSA-N 2 2 336.395 2.130 10 0 EEAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261929048 463902727 /nfs/dbraw/zinc/90/27/27/463902727.db2.gz CNDGJEMSVMAXFF-WBVHZDCISA-N 3 2 334.533 2.429 10 0 EEAELP C[C@@H]1COC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000172667124 464127710 /nfs/dbraw/zinc/12/77/10/464127710.db2.gz NQTAQAZAMUEYHH-IAGOWNOFSA-N 2 2 345.487 2.008 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292256993 464174974 /nfs/dbraw/zinc/17/49/74/464174974.db2.gz YELFHTWEUDZAHX-KSSFIOAISA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292256993 464174979 /nfs/dbraw/zinc/17/49/79/464174979.db2.gz YELFHTWEUDZAHX-KSSFIOAISA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292256993 464174984 /nfs/dbraw/zinc/17/49/84/464174984.db2.gz YELFHTWEUDZAHX-KSSFIOAISA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292256993 464174986 /nfs/dbraw/zinc/17/49/86/464174986.db2.gz YELFHTWEUDZAHX-KSSFIOAISA-N 2 2 335.879 2.372 10 0 EEAELP Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000180651645 464360456 /nfs/dbraw/zinc/36/04/56/464360456.db2.gz LULQPGBWOWKNIM-ZDUSSCGKSA-N 2 2 325.372 2.458 10 0 EEAELP CC(C)C[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784784 464394894 /nfs/dbraw/zinc/39/48/94/464394894.db2.gz PSPRMSQBKFXHSJ-DLBZAZTESA-N 2 2 347.507 2.306 10 0 EEAELP COC(=O)c1ccccc1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000182066312 464564050 /nfs/dbraw/zinc/56/40/50/464564050.db2.gz WFQOATZYELCYOT-UHFFFAOYSA-N 2 2 332.444 2.412 10 0 EEAELP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285446421 464567081 /nfs/dbraw/zinc/56/70/81/464567081.db2.gz XSJADDLJTMNYFB-OPVJXMOQSA-N 2 2 331.504 2.432 10 0 EEAELP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285446421 464567084 /nfs/dbraw/zinc/56/70/84/464567084.db2.gz XSJADDLJTMNYFB-OPVJXMOQSA-N 2 2 331.504 2.432 10 0 EEAELP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266759317 464811782 /nfs/dbraw/zinc/81/17/82/464811782.db2.gz PWIIGGGFOMBSON-AWEZNQCLSA-N 2 2 344.434 2.476 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266759319 464812872 /nfs/dbraw/zinc/81/28/72/464812872.db2.gz PWIIGGGFOMBSON-CQSZACIVSA-N 2 2 344.434 2.476 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000348382942 465577105 /nfs/dbraw/zinc/57/71/05/465577105.db2.gz HZNXSYBXLZWJGG-LBPRGKRZSA-N 2 2 347.385 2.119 10 0 EEAELP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000348382942 465577110 /nfs/dbraw/zinc/57/71/10/465577110.db2.gz HZNXSYBXLZWJGG-LBPRGKRZSA-N 2 2 347.385 2.119 10 0 EEAELP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000357304574 465931522 /nfs/dbraw/zinc/93/15/22/465931522.db2.gz KDSYPZCOPNSKSP-RDJZCZTQSA-N 2 2 333.476 2.389 10 0 EEAELP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000357304574 465931528 /nfs/dbraw/zinc/93/15/28/465931528.db2.gz KDSYPZCOPNSKSP-RDJZCZTQSA-N 2 2 333.476 2.389 10 0 EEAELP Cc1nc(N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(N(C)C)[nH+]1 ZINC000346223228 466005345 /nfs/dbraw/zinc/00/53/45/466005345.db2.gz QCWZGOSDTZSDEY-QGZVFWFLSA-N 2 2 342.491 2.815 10 0 EEAELP Cc1nc(N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc(N(C)C)[nH+]1 ZINC000346223228 466005350 /nfs/dbraw/zinc/00/53/50/466005350.db2.gz QCWZGOSDTZSDEY-QGZVFWFLSA-N 2 2 342.491 2.815 10 0 EEAELP COCCOc1cc2c(cc1C[N@@H+](C)CCCn1cc[nH+]c1)OCO2 ZINC000349342989 466073116 /nfs/dbraw/zinc/07/31/16/466073116.db2.gz FWSCWRNMXDVHPB-UHFFFAOYSA-N 2 2 347.415 2.159 10 0 EEAELP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cn(C(C)(C)C)nn3)CC2)CC1 ZINC000361580626 466113170 /nfs/dbraw/zinc/11/31/70/466113170.db2.gz ZWQFEFKIAWCVEU-UHFFFAOYSA-N 2 2 348.539 2.024 10 0 EEAELP CC[C@@H](Cn1cncn1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000340517105 466148131 /nfs/dbraw/zinc/14/81/31/466148131.db2.gz KXNNMNNPBOTBSY-HNNXBMFYSA-N 2 2 343.479 2.094 10 0 EEAELP Cc1c[nH+]cn1C1CCN(C(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000372247634 466248583 /nfs/dbraw/zinc/24/85/83/466248583.db2.gz NPMJFFCYWZXYQL-UHFFFAOYSA-N 2 2 336.399 2.250 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000304486570 466303540 /nfs/dbraw/zinc/30/35/40/466303540.db2.gz CCNSSEATTQLXSI-VQIMIIECSA-N 2 2 336.451 2.212 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000304486570 466303543 /nfs/dbraw/zinc/30/35/43/466303543.db2.gz CCNSSEATTQLXSI-VQIMIIECSA-N 2 2 336.451 2.212 10 0 EEAELP CCc1oc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000597248441 468495767 /nfs/dbraw/zinc/49/57/67/468495767.db2.gz VVEJVJHARXETQU-CQSZACIVSA-N 2 2 338.448 2.171 10 0 EEAELP CCc1oc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C(=O)OC ZINC000597248441 468495772 /nfs/dbraw/zinc/49/57/72/468495772.db2.gz VVEJVJHARXETQU-CQSZACIVSA-N 2 2 338.448 2.171 10 0 EEAELP CC(C)(CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000358228735 466556213 /nfs/dbraw/zinc/55/62/13/466556213.db2.gz GCLSWKHVAHZLPL-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCCc1ccccc1 ZINC000324221173 466644755 /nfs/dbraw/zinc/64/47/55/466644755.db2.gz RUISKYDCFRAFLB-RBUKOAKNSA-N 2 2 329.488 2.199 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCCc1ccccc1 ZINC000324221173 466644757 /nfs/dbraw/zinc/64/47/57/466644757.db2.gz RUISKYDCFRAFLB-RBUKOAKNSA-N 2 2 329.488 2.199 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCCc2ccccc21 ZINC000324614400 466648778 /nfs/dbraw/zinc/64/87/78/466648778.db2.gz LVABHKVOXYPGHX-QZTJIDSGSA-N 2 2 327.472 2.430 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCCc2ccccc21 ZINC000324614400 466648779 /nfs/dbraw/zinc/64/87/79/466648779.db2.gz LVABHKVOXYPGHX-QZTJIDSGSA-N 2 2 327.472 2.430 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@H]3CCC4(CCOCC4)[C@@H]3O)c[nH+]c12 ZINC000374701226 466718930 /nfs/dbraw/zinc/71/89/30/466718930.db2.gz LBEXHNVEDQHOHA-NVXWUHKLSA-N 2 2 329.444 2.300 10 0 EEAELP CC(C)Cc1nsc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000376923556 466967494 /nfs/dbraw/zinc/96/74/94/466967494.db2.gz SKHPWZWJQSKIDJ-HNNXBMFYSA-N 2 2 337.537 2.341 10 0 EEAELP CC(C)Cc1nsc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000376923556 466967496 /nfs/dbraw/zinc/96/74/96/466967496.db2.gz SKHPWZWJQSKIDJ-HNNXBMFYSA-N 2 2 337.537 2.341 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417935999 466992354 /nfs/dbraw/zinc/99/23/54/466992354.db2.gz FHGMPXZRSRPARE-KGLIPLIRSA-N 2 2 342.846 2.261 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417935999 466992357 /nfs/dbraw/zinc/99/23/57/466992357.db2.gz FHGMPXZRSRPARE-KGLIPLIRSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418001967 467017730 /nfs/dbraw/zinc/01/77/30/467017730.db2.gz XRYQSMOTGRGCPK-LSDHHAIUSA-N 2 2 342.846 2.215 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418001967 467017734 /nfs/dbraw/zinc/01/77/34/467017734.db2.gz XRYQSMOTGRGCPK-LSDHHAIUSA-N 2 2 342.846 2.215 10 0 EEAELP CCC[NH2+]CCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418467485 467115270 /nfs/dbraw/zinc/11/52/70/467115270.db2.gz FXNZQKVJYKVNFL-OAHLLOKOSA-N 2 2 333.480 2.108 10 0 EEAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427777636 467177570 /nfs/dbraw/zinc/17/75/70/467177570.db2.gz HMBXYWNPODFDSX-IYBDPMFKSA-N 2 2 340.471 2.399 10 0 EEAELP CCCc1[nH+]c2ccccc2n1CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427777636 467177571 /nfs/dbraw/zinc/17/75/71/467177571.db2.gz HMBXYWNPODFDSX-IYBDPMFKSA-N 2 2 340.471 2.399 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000413439335 467242701 /nfs/dbraw/zinc/24/27/01/467242701.db2.gz NGQMLYFSCCPQSW-ICSRJNTNSA-N 2 2 347.478 2.356 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@]1(F)c1ccccc1 ZINC000413439335 467242703 /nfs/dbraw/zinc/24/27/03/467242703.db2.gz NGQMLYFSCCPQSW-ICSRJNTNSA-N 2 2 347.478 2.356 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351616 467374368 /nfs/dbraw/zinc/37/43/68/467374368.db2.gz AAGHIQWQVMZXPJ-KDOFPFPSSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351616 467374371 /nfs/dbraw/zinc/37/43/71/467374371.db2.gz AAGHIQWQVMZXPJ-KDOFPFPSSA-N 2 2 335.879 2.420 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000420358101 467376210 /nfs/dbraw/zinc/37/62/10/467376210.db2.gz DXJRGWHDRVWNAV-PMACEKPBSA-N 2 2 327.472 2.329 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000420358101 467376214 /nfs/dbraw/zinc/37/62/14/467376214.db2.gz DXJRGWHDRVWNAV-PMACEKPBSA-N 2 2 327.472 2.329 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420386787 467389582 /nfs/dbraw/zinc/38/95/82/467389582.db2.gz VQYRSJHWZFNJPV-MBOZVWFJSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420386787 467389587 /nfs/dbraw/zinc/38/95/87/467389587.db2.gz VQYRSJHWZFNJPV-MBOZVWFJSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000386250681 467390149 /nfs/dbraw/zinc/39/01/49/467390149.db2.gz DAJOJYQKRRXADV-KPACCLEDSA-N 3 2 343.515 2.254 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000386250681 467390154 /nfs/dbraw/zinc/39/01/54/467390154.db2.gz DAJOJYQKRRXADV-KPACCLEDSA-N 3 2 343.515 2.254 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420388384 467390912 /nfs/dbraw/zinc/39/09/12/467390912.db2.gz WYEZAVHBZYJSTB-KHYOSLBOSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420388384 467390916 /nfs/dbraw/zinc/39/09/16/467390916.db2.gz WYEZAVHBZYJSTB-KHYOSLBOSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000389862546 467402779 /nfs/dbraw/zinc/40/27/79/467402779.db2.gz IVWZBDXMIPQMCE-IMFGXOCKSA-N 2 2 344.455 2.267 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000389862546 467402783 /nfs/dbraw/zinc/40/27/83/467402783.db2.gz IVWZBDXMIPQMCE-IMFGXOCKSA-N 2 2 344.455 2.267 10 0 EEAELP CC1=C[C@@H](C)C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430286443 467418082 /nfs/dbraw/zinc/41/80/82/467418082.db2.gz XZTCAAMKFZQULH-QGZVFWFLSA-N 2 2 349.519 2.036 10 0 EEAELP CC1=C[C@@H](C)C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430286443 467418086 /nfs/dbraw/zinc/41/80/86/467418086.db2.gz XZTCAAMKFZQULH-QGZVFWFLSA-N 2 2 349.519 2.036 10 0 EEAELP C[C@@H]1CN(Cc2noc(C[NH3+])n2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404340719 467473800 /nfs/dbraw/zinc/47/38/00/467473800.db2.gz SNDMDKWDJQZFTB-KFWWJZLASA-N 2 2 329.448 2.012 10 0 EEAELP C[C@@H]1CN(Cc2noc(C[NH3+])n2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404340719 467473805 /nfs/dbraw/zinc/47/38/05/467473805.db2.gz SNDMDKWDJQZFTB-KFWWJZLASA-N 2 2 329.448 2.012 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000449388807 467635911 /nfs/dbraw/zinc/63/59/11/467635911.db2.gz BFBQWDJRKAUTGM-HNNXBMFYSA-N 2 2 327.266 2.386 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000449388807 467635912 /nfs/dbraw/zinc/63/59/12/467635912.db2.gz BFBQWDJRKAUTGM-HNNXBMFYSA-N 2 2 327.266 2.386 10 0 EEAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449396144 467639062 /nfs/dbraw/zinc/63/90/62/467639062.db2.gz RPMCSWRJRITOPL-RBUKOAKNSA-N 2 2 338.467 2.210 10 0 EEAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449396144 467639067 /nfs/dbraw/zinc/63/90/67/467639067.db2.gz RPMCSWRJRITOPL-RBUKOAKNSA-N 2 2 338.467 2.210 10 0 EEAELP C[NH+]1CCC(CNC(=O)CCCC(=O)C2CC2)([NH+]2CCCCC2)CC1 ZINC000449968404 467753189 /nfs/dbraw/zinc/75/31/89/467753189.db2.gz XZNSXZZLAVCWJD-UHFFFAOYSA-N 2 2 349.519 2.202 10 0 EEAELP CCOc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)c(F)cc1OC ZINC000529519096 467874760 /nfs/dbraw/zinc/87/47/60/467874760.db2.gz NJVKGCLNOOPLNB-UHFFFAOYSA-N 2 2 340.439 2.122 10 0 EEAELP CCOc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)c(F)cc1OC ZINC000529519096 467874762 /nfs/dbraw/zinc/87/47/62/467874762.db2.gz NJVKGCLNOOPLNB-UHFFFAOYSA-N 2 2 340.439 2.122 10 0 EEAELP CC(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC000529800612 467911717 /nfs/dbraw/zinc/91/17/17/467911717.db2.gz LJEAHHZYRMAZDJ-GOSISDBHSA-N 2 2 326.444 2.252 10 0 EEAELP CC(C)[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC000529800612 467911719 /nfs/dbraw/zinc/91/17/19/467911719.db2.gz LJEAHHZYRMAZDJ-GOSISDBHSA-N 2 2 326.444 2.252 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000485349660 468010640 /nfs/dbraw/zinc/01/06/40/468010640.db2.gz YUKXPIZGLUUMRS-VQIYKNCMSA-N 2 2 345.531 2.488 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000485349660 468010644 /nfs/dbraw/zinc/01/06/44/468010644.db2.gz YUKXPIZGLUUMRS-VQIYKNCMSA-N 2 2 345.531 2.488 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000485349660 468010646 /nfs/dbraw/zinc/01/06/46/468010646.db2.gz YUKXPIZGLUUMRS-VQIYKNCMSA-N 2 2 345.531 2.488 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)CC[C@@H]21 ZINC000485349660 468010650 /nfs/dbraw/zinc/01/06/50/468010650.db2.gz YUKXPIZGLUUMRS-VQIYKNCMSA-N 2 2 345.531 2.488 10 0 EEAELP Cc1cccc2c1cc[nH+]c2N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000518174860 468107659 /nfs/dbraw/zinc/10/76/59/468107659.db2.gz ABDCHOOBENBOPF-GOSISDBHSA-N 2 2 338.455 2.286 10 0 EEAELP Cc1cccc2c1cc[nH+]c2N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000518174860 468107661 /nfs/dbraw/zinc/10/76/61/468107661.db2.gz ABDCHOOBENBOPF-GOSISDBHSA-N 2 2 338.455 2.286 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000518179225 468108132 /nfs/dbraw/zinc/10/81/32/468108132.db2.gz OSUDOBPFYSNXBH-MJBXVCDLSA-N 2 2 337.414 2.043 10 0 EEAELP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000518179225 468108134 /nfs/dbraw/zinc/10/81/34/468108134.db2.gz OSUDOBPFYSNXBH-MJBXVCDLSA-N 2 2 337.414 2.043 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC[N@H+]2C)c(C)c1 ZINC000533544115 468211001 /nfs/dbraw/zinc/21/10/01/468211001.db2.gz XOMFOLFEXDCQNY-ZWKOTPCHSA-N 2 2 326.444 2.452 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC000533544115 468211004 /nfs/dbraw/zinc/21/10/04/468211004.db2.gz XOMFOLFEXDCQNY-ZWKOTPCHSA-N 2 2 326.444 2.452 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1nc2c(s1)CCC2 ZINC000591869453 468536975 /nfs/dbraw/zinc/53/69/75/468536975.db2.gz XGCJTXSHJQQHOP-LBPRGKRZSA-N 2 2 331.445 2.104 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1nc2c(s1)CCC2 ZINC000591869453 468536978 /nfs/dbraw/zinc/53/69/78/468536978.db2.gz XGCJTXSHJQQHOP-LBPRGKRZSA-N 2 2 331.445 2.104 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000570222467 468607018 /nfs/dbraw/zinc/60/70/18/468607018.db2.gz AKOJUTPZLZRWQO-WBVHZDCISA-N 2 2 326.868 2.068 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000570222467 468607023 /nfs/dbraw/zinc/60/70/23/468607023.db2.gz AKOJUTPZLZRWQO-WBVHZDCISA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000570222467 468607027 /nfs/dbraw/zinc/60/70/27/468607027.db2.gz AKOJUTPZLZRWQO-WBVHZDCISA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000570222467 468607030 /nfs/dbraw/zinc/60/70/30/468607030.db2.gz AKOJUTPZLZRWQO-WBVHZDCISA-N 2 2 326.868 2.068 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccccc1Cn1cc[nH+]c1 ZINC000558443850 468679988 /nfs/dbraw/zinc/67/99/88/468679988.db2.gz BYSHODCNCFBGTL-UHFFFAOYSA-N 2 2 349.438 2.323 10 0 EEAELP C[NH+](C)CCn1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000600979325 468704645 /nfs/dbraw/zinc/70/46/45/468704645.db2.gz UOBZSYONLIEBHP-MRXNPFEDSA-N 2 2 349.866 2.340 10 0 EEAELP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000601310366 468821109 /nfs/dbraw/zinc/82/11/09/468821109.db2.gz JYXJXYDGFFUNGA-LBPRGKRZSA-N 2 2 347.385 2.117 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccccc1F ZINC000572411854 468929490 /nfs/dbraw/zinc/92/94/90/468929490.db2.gz HLZGRFIUXZYLAR-MRXNPFEDSA-N 2 2 347.438 2.242 10 0 EEAELP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@@H+]2CCOC)c1C ZINC000598960694 469066649 /nfs/dbraw/zinc/06/66/49/469066649.db2.gz FKHYCQFGQMOPEM-OAHLLOKOSA-N 2 2 337.464 2.009 10 0 EEAELP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@H+]2CCOC)c1C ZINC000598960694 469066653 /nfs/dbraw/zinc/06/66/53/469066653.db2.gz FKHYCQFGQMOPEM-OAHLLOKOSA-N 2 2 337.464 2.009 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000595906594 469075646 /nfs/dbraw/zinc/07/56/46/469075646.db2.gz LRXYVZBWNDUBPE-ZDUSSCGKSA-N 2 2 326.462 2.077 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)s1 ZINC000595906594 469075651 /nfs/dbraw/zinc/07/56/51/469075651.db2.gz LRXYVZBWNDUBPE-ZDUSSCGKSA-N 2 2 326.462 2.077 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)Cc1ccc(F)cc1C ZINC000573964093 469237885 /nfs/dbraw/zinc/23/78/85/469237885.db2.gz RWULESNIHSVBSK-HFTRVMKXSA-N 2 2 347.478 2.254 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)Cc1ccc(F)cc1C ZINC000573964093 469237890 /nfs/dbraw/zinc/23/78/90/469237890.db2.gz RWULESNIHSVBSK-HFTRVMKXSA-N 2 2 347.478 2.254 10 0 EEAELP COC(=O)c1ccccc1CC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599621956 469312600 /nfs/dbraw/zinc/31/26/00/469312600.db2.gz FXGIKXLBEXTYKZ-UHFFFAOYSA-N 2 2 346.471 2.202 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cccc1 ZINC000604868135 469523131 /nfs/dbraw/zinc/52/31/31/469523131.db2.gz IQIPTHMNJHSNCW-AEFFLSMTSA-N 2 2 332.492 2.066 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cccc1 ZINC000604868135 469523136 /nfs/dbraw/zinc/52/31/36/469523136.db2.gz IQIPTHMNJHSNCW-AEFFLSMTSA-N 2 2 332.492 2.066 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000617012964 469572337 /nfs/dbraw/zinc/57/23/37/469572337.db2.gz LBUFNTGCWKSCRV-IRXDYDNUSA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000617012964 469572342 /nfs/dbraw/zinc/57/23/42/469572342.db2.gz LBUFNTGCWKSCRV-IRXDYDNUSA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000617012964 469572347 /nfs/dbraw/zinc/57/23/47/469572347.db2.gz LBUFNTGCWKSCRV-IRXDYDNUSA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000617012964 469572351 /nfs/dbraw/zinc/57/23/51/469572351.db2.gz LBUFNTGCWKSCRV-IRXDYDNUSA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000617012962 469572878 /nfs/dbraw/zinc/57/28/78/469572878.db2.gz LBUFNTGCWKSCRV-DLBZAZTESA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000617012962 469572884 /nfs/dbraw/zinc/57/28/84/469572884.db2.gz LBUFNTGCWKSCRV-DLBZAZTESA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000617012962 469572890 /nfs/dbraw/zinc/57/28/90/469572890.db2.gz LBUFNTGCWKSCRV-DLBZAZTESA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000617012962 469572895 /nfs/dbraw/zinc/57/28/95/469572895.db2.gz LBUFNTGCWKSCRV-DLBZAZTESA-N 2 2 330.476 2.035 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592915 469587958 /nfs/dbraw/zinc/58/79/58/469587958.db2.gz HEVTWPGMOKABDW-XWIAVFTESA-N 2 2 335.879 2.276 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592915 469587964 /nfs/dbraw/zinc/58/79/64/469587964.db2.gz HEVTWPGMOKABDW-XWIAVFTESA-N 2 2 335.879 2.276 10 0 EEAELP C[C@H](Cc1ccco1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000613007210 469606166 /nfs/dbraw/zinc/60/61/66/469606166.db2.gz ZQSONDLFICGRJD-HRBLRVMOSA-N 2 2 345.487 2.228 10 0 EEAELP C[C@H](Cc1ccco1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000613007210 469606171 /nfs/dbraw/zinc/60/61/71/469606171.db2.gz ZQSONDLFICGRJD-HRBLRVMOSA-N 2 2 345.487 2.228 10 0 EEAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C[C@@H](C)O1 ZINC000606582161 469621470 /nfs/dbraw/zinc/62/14/70/469621470.db2.gz FDCORRRESLVJIQ-ZIAGYGMSSA-N 2 2 345.447 2.344 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000619771194 469679075 /nfs/dbraw/zinc/67/90/75/469679075.db2.gz UYVOQCKCZVGWOJ-ZIAGYGMSSA-N 2 2 335.448 2.105 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000619771194 469679078 /nfs/dbraw/zinc/67/90/78/469679078.db2.gz UYVOQCKCZVGWOJ-ZIAGYGMSSA-N 2 2 335.448 2.105 10 0 EEAELP CN1CCOC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000623712551 469741223 /nfs/dbraw/zinc/74/12/23/469741223.db2.gz GZTYTQNLLQDYFU-SFHVURJKSA-N 2 2 337.895 2.225 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1scnc1C1CCCC1 ZINC000617764811 469796225 /nfs/dbraw/zinc/79/62/25/469796225.db2.gz HVJUMQPWROYSRM-UHFFFAOYSA-N 2 2 338.521 2.414 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1scnc1C1CCCC1 ZINC000617764811 469796227 /nfs/dbraw/zinc/79/62/27/469796227.db2.gz HVJUMQPWROYSRM-UHFFFAOYSA-N 2 2 338.521 2.414 10 0 EEAELP CSc1cccc(F)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763967 469796651 /nfs/dbraw/zinc/79/66/51/469796651.db2.gz CZMQABNTHWPYQA-UHFFFAOYSA-N 2 2 327.469 2.161 10 0 EEAELP CSc1cccc(F)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763967 469796655 /nfs/dbraw/zinc/79/66/55/469796655.db2.gz CZMQABNTHWPYQA-UHFFFAOYSA-N 2 2 327.469 2.161 10 0 EEAELP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000624005995 469816239 /nfs/dbraw/zinc/81/62/39/469816239.db2.gz ILNAHOVFMJNTMK-OAHLLOKOSA-N 2 2 342.443 2.463 10 0 EEAELP c1[nH+]cn2c1c(N1CC[NH+](C[C@H]3CCOC3)CC1)nc1ccccc12 ZINC000624024750 469819548 /nfs/dbraw/zinc/81/95/48/469819548.db2.gz WZUSUVUZVUJXJG-OAHLLOKOSA-N 2 2 337.427 2.041 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N(C)c1nc2ccccc2n2c[nH+]cc12 ZINC000624168090 469862361 /nfs/dbraw/zinc/86/23/61/469862361.db2.gz XEKYTAVOIQVLRG-AWEZNQCLSA-N 2 2 325.416 2.039 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)CC2 ZINC000625210215 470095204 /nfs/dbraw/zinc/09/52/04/470095204.db2.gz BEGPTQCIKKKQET-INIZCTEOSA-N 2 2 326.444 2.497 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000628770455 470153981 /nfs/dbraw/zinc/15/39/81/470153981.db2.gz TZQSRFXKTFYTLY-DUVNUKRYSA-N 2 2 330.407 2.485 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC[N@H+]1C ZINC000628770455 470153983 /nfs/dbraw/zinc/15/39/83/470153983.db2.gz TZQSRFXKTFYTLY-DUVNUKRYSA-N 2 2 330.407 2.485 10 0 EEAELP CN(CC1([NH+](C)C)CCC1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632686974 470260747 /nfs/dbraw/zinc/26/07/47/470260747.db2.gz XFOYQBPIMWHIHF-UHFFFAOYSA-N 2 2 326.444 2.358 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000634707786 470282943 /nfs/dbraw/zinc/28/29/43/470282943.db2.gz LKNMXXBHWCDMEA-XWPNQZOQSA-N 2 2 332.488 2.151 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000634707786 470282945 /nfs/dbraw/zinc/28/29/45/470282945.db2.gz LKNMXXBHWCDMEA-XWPNQZOQSA-N 2 2 332.488 2.151 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000648807567 470354359 /nfs/dbraw/zinc/35/43/59/470354359.db2.gz GUHGJFLMUGWCGX-OAHLLOKOSA-N 2 2 329.448 2.718 10 0 EEAELP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633197048 470382096 /nfs/dbraw/zinc/38/20/96/470382096.db2.gz OPIBADFKPVVYIJ-MSOLQXFVSA-N 2 2 340.427 2.012 10 0 EEAELP C[N@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633197048 470382103 /nfs/dbraw/zinc/38/21/03/470382103.db2.gz OPIBADFKPVVYIJ-MSOLQXFVSA-N 2 2 340.427 2.012 10 0 EEAELP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000643064080 470608175 /nfs/dbraw/zinc/60/81/75/470608175.db2.gz FLKDSQNXSLMNAK-CBQXQHFASA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000643064080 470608180 /nfs/dbraw/zinc/60/81/80/470608180.db2.gz FLKDSQNXSLMNAK-CBQXQHFASA-N 2 2 345.531 2.391 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCC(C)(C4CC4)CC3)C2)CC1 ZINC000633865455 470614458 /nfs/dbraw/zinc/61/44/58/470614458.db2.gz PZPSTLYEFWKNPB-KRWDZBQOSA-N 2 2 348.535 2.377 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCC(C)(C4CC4)CC3)C2)CC1 ZINC000633865455 470614465 /nfs/dbraw/zinc/61/44/65/470614465.db2.gz PZPSTLYEFWKNPB-KRWDZBQOSA-N 2 2 348.535 2.377 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C(C)(C)C)cn3)C2)CC1 ZINC000643335651 470668157 /nfs/dbraw/zinc/66/81/57/470668157.db2.gz YDHOIYVUMKMLNZ-INIZCTEOSA-N 2 2 344.503 2.277 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C(C)(C)C)cn3)C2)CC1 ZINC000643335651 470668161 /nfs/dbraw/zinc/66/81/61/470668161.db2.gz YDHOIYVUMKMLNZ-INIZCTEOSA-N 2 2 344.503 2.277 10 0 EEAELP CC(C)(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1c[nH]c[nH+]1 ZINC000646952431 470788282 /nfs/dbraw/zinc/78/82/82/470788282.db2.gz VEGLCFWARYHHGZ-UHFFFAOYSA-N 2 2 327.432 2.115 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647246791 470865695 /nfs/dbraw/zinc/86/56/95/470865695.db2.gz QLFFVYTVRRINTK-POAQFYNOSA-N 2 2 332.488 2.274 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647246791 470865699 /nfs/dbraw/zinc/86/56/99/470865699.db2.gz QLFFVYTVRRINTK-POAQFYNOSA-N 2 2 332.488 2.274 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644548249 470979410 /nfs/dbraw/zinc/97/94/10/470979410.db2.gz WWKPLIAYUJGMHB-NEPJUHHUSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644548249 470979415 /nfs/dbraw/zinc/97/94/15/470979415.db2.gz WWKPLIAYUJGMHB-NEPJUHHUSA-N 2 2 333.259 2.417 10 0 EEAELP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901837 471012180 /nfs/dbraw/zinc/01/21/80/471012180.db2.gz WIEOXGAHXNVFLV-KYJSFNMBSA-N 2 2 333.451 2.294 10 0 EEAELP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901837 471012185 /nfs/dbraw/zinc/01/21/85/471012185.db2.gz WIEOXGAHXNVFLV-KYJSFNMBSA-N 2 2 333.451 2.294 10 0 EEAELP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)n(CC2CC2)n1 ZINC000657293371 471086799 /nfs/dbraw/zinc/08/67/99/471086799.db2.gz MOXKNTHYLYNKFE-UHFFFAOYSA-N 2 2 340.471 2.415 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657318260 471097043 /nfs/dbraw/zinc/09/70/43/471097043.db2.gz HQTSBAZYOXWYTN-UHFFFAOYSA-N 3 2 348.454 2.417 10 0 EEAELP O=C(c1ccccc1)N1CCC(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657369632 471116570 /nfs/dbraw/zinc/11/65/70/471116570.db2.gz AOQKSQLVFBLXST-UHFFFAOYSA-N 2 2 338.455 2.471 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000657523590 471161297 /nfs/dbraw/zinc/16/12/97/471161297.db2.gz GESGVESNSLTPKR-OAHLLOKOSA-N 2 2 325.478 2.021 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000657523590 471161309 /nfs/dbraw/zinc/16/13/09/471161309.db2.gz GESGVESNSLTPKR-OAHLLOKOSA-N 2 2 325.478 2.021 10 0 EEAELP O=C(N[C@@H]1CCC[NH2+]CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000641044135 471178252 /nfs/dbraw/zinc/17/82/52/471178252.db2.gz UNPKLBHSUSJWFU-HZPDHXFCSA-N 2 2 345.491 2.251 10 0 EEAELP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657840237 471240142 /nfs/dbraw/zinc/24/01/42/471240142.db2.gz OBVPNKXXXCVNPX-HXUWFJFHSA-N 2 2 347.503 2.467 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000652417946 471288892 /nfs/dbraw/zinc/28/88/92/471288892.db2.gz MFJFYRGSEZGHHC-ZDUSSCGKSA-N 2 2 347.850 2.419 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000652417946 471288894 /nfs/dbraw/zinc/28/88/94/471288894.db2.gz MFJFYRGSEZGHHC-ZDUSSCGKSA-N 2 2 347.850 2.419 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341887 471290455 /nfs/dbraw/zinc/29/04/55/471290455.db2.gz KHVIXTCWJORMJP-WIYYLYMNSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341887 471290457 /nfs/dbraw/zinc/29/04/57/471290457.db2.gz KHVIXTCWJORMJP-WIYYLYMNSA-N 3 2 344.547 2.123 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[NH2+]CC34CC(C3)C[NH2+]4)c2C)cc1 ZINC000663497848 471401694 /nfs/dbraw/zinc/40/16/94/471401694.db2.gz KPNLLMPUZXLFFZ-UHFFFAOYSA-N 2 2 340.471 2.398 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(-c2ncco2)c1 ZINC000666442064 471404885 /nfs/dbraw/zinc/40/48/85/471404885.db2.gz LDHCKTQSKLKHNG-UHFFFAOYSA-N 2 2 345.447 2.347 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(-c2ncco2)c1 ZINC000666442064 471404889 /nfs/dbraw/zinc/40/48/89/471404889.db2.gz LDHCKTQSKLKHNG-UHFFFAOYSA-N 2 2 345.447 2.347 10 0 EEAELP C[N@@H+]1C[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](c2ccccc2)C1 ZINC000655779328 471479177 /nfs/dbraw/zinc/47/91/77/471479177.db2.gz IWGONWTZWTZGPM-NRSPTQNISA-N 3 2 343.515 2.175 10 0 EEAELP C[N@H+]1C[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[C@H](c2ccccc2)C1 ZINC000655779328 471479181 /nfs/dbraw/zinc/47/91/81/471479181.db2.gz IWGONWTZWTZGPM-NRSPTQNISA-N 3 2 343.515 2.175 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659039272 471480355 /nfs/dbraw/zinc/48/03/55/471480355.db2.gz AWHCLLZRDMWYST-CJNGLKHVSA-N 2 2 343.431 2.447 10 0 EEAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000669413057 471484557 /nfs/dbraw/zinc/48/45/57/471484557.db2.gz CZNFLDNMRQGVDB-GASCZTMLSA-N 2 2 343.406 2.047 10 0 EEAELP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1[nH+]ccn1C ZINC000660794681 471489521 /nfs/dbraw/zinc/48/95/21/471489521.db2.gz KMTXPYUDGZGGDI-CYBMUJFWSA-N 2 2 333.411 2.051 10 0 EEAELP C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1[nH+]ccn1C ZINC000660794681 471489526 /nfs/dbraw/zinc/48/95/26/471489526.db2.gz KMTXPYUDGZGGDI-CYBMUJFWSA-N 2 2 333.411 2.051 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925245 471554008 /nfs/dbraw/zinc/55/40/08/471554008.db2.gz AIFXQDNRVKXMHR-CYBMUJFWSA-N 2 2 330.375 2.141 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925245 471554011 /nfs/dbraw/zinc/55/40/11/471554011.db2.gz AIFXQDNRVKXMHR-CYBMUJFWSA-N 2 2 330.375 2.141 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925245 471554015 /nfs/dbraw/zinc/55/40/15/471554015.db2.gz AIFXQDNRVKXMHR-CYBMUJFWSA-N 2 2 330.375 2.141 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000660925245 471554019 /nfs/dbraw/zinc/55/40/19/471554019.db2.gz AIFXQDNRVKXMHR-CYBMUJFWSA-N 2 2 330.375 2.141 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C2CCC2)cn1 ZINC000667155432 471673301 /nfs/dbraw/zinc/67/33/01/471673301.db2.gz HWGOZYXHPLCUOX-UHFFFAOYSA-N 2 2 333.480 2.354 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C2CCC2)cn1 ZINC000667155432 471673307 /nfs/dbraw/zinc/67/33/07/471673307.db2.gz HWGOZYXHPLCUOX-UHFFFAOYSA-N 2 2 333.480 2.354 10 0 EEAELP c1csc(N2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)CC2)n1 ZINC000667555568 471820117 /nfs/dbraw/zinc/82/01/17/471820117.db2.gz FNGXLLKRNOWQRV-UHFFFAOYSA-N 2 2 340.456 2.436 10 0 EEAELP c1csc(N2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)CC2)n1 ZINC000667555568 471820122 /nfs/dbraw/zinc/82/01/22/471820122.db2.gz FNGXLLKRNOWQRV-UHFFFAOYSA-N 2 2 340.456 2.436 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000667602518 471838198 /nfs/dbraw/zinc/83/81/98/471838198.db2.gz BXZYFOMNQZVSTN-SFHVURJKSA-N 2 2 345.535 2.290 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000667602518 471838202 /nfs/dbraw/zinc/83/82/02/471838202.db2.gz BXZYFOMNQZVSTN-SFHVURJKSA-N 2 2 345.535 2.290 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC[NH+](C)C3)n2)O1 ZINC000665009683 471925010 /nfs/dbraw/zinc/92/50/10/471925010.db2.gz PQEIFBAYUBZAEA-PVAVHDDUSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC[NH+](C)C3)n2)O1 ZINC000665009683 471925014 /nfs/dbraw/zinc/92/50/14/471925014.db2.gz PQEIFBAYUBZAEA-PVAVHDDUSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC[N@H+](C)C3)n2)O1 ZINC000665009683 471925017 /nfs/dbraw/zinc/92/50/17/471925017.db2.gz PQEIFBAYUBZAEA-PVAVHDDUSA-N 2 2 342.443 2.451 10 0 EEAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662744725 472231297 /nfs/dbraw/zinc/23/12/97/472231297.db2.gz DNJITRDZVQQUPY-MRXNPFEDSA-N 2 2 337.414 2.442 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662799238 472257216 /nfs/dbraw/zinc/25/72/16/472257216.db2.gz VMONDSGIUDQKCQ-KHJVZFFJSA-N 2 2 341.377 2.093 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662799238 472257223 /nfs/dbraw/zinc/25/72/23/472257223.db2.gz VMONDSGIUDQKCQ-KHJVZFFJSA-N 2 2 341.377 2.093 10 0 EEAELP C[C@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1[nH+]ccn1C ZINC000662935040 472303092 /nfs/dbraw/zinc/30/30/92/472303092.db2.gz RLIIEVWGLVJPGW-ZDUSSCGKSA-N 2 2 325.416 2.215 10 0 EEAELP C[N@@H+]1CC[C@@H](Nc2nc(N3CCOCC3)cc[nH+]2)[C@H]1c1ccccc1 ZINC000683752884 485629196 /nfs/dbraw/zinc/62/91/96/485629196.db2.gz DQJHILPOOVEETH-SJLPKXTDSA-N 2 2 339.443 2.171 10 0 EEAELP C[N@H+]1CC[C@@H](Nc2nc(N3CCOCC3)cc[nH+]2)[C@H]1c1ccccc1 ZINC000683752884 485629205 /nfs/dbraw/zinc/62/92/05/485629205.db2.gz DQJHILPOOVEETH-SJLPKXTDSA-N 2 2 339.443 2.171 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629542173 485730173 /nfs/dbraw/zinc/73/01/73/485730173.db2.gz ZPPZRMCBRWEMLH-WWGRRREGSA-N 2 2 325.478 2.239 10 0 EEAELP C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000684184678 485794457 /nfs/dbraw/zinc/79/44/57/485794457.db2.gz SZLWTJMVGREHQC-MNEFBYGVSA-N 2 2 345.462 2.078 10 0 EEAELP C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)[N@H+]1CCc2ccccc2C1 ZINC000684184678 485794464 /nfs/dbraw/zinc/79/44/64/485794464.db2.gz SZLWTJMVGREHQC-MNEFBYGVSA-N 2 2 345.462 2.078 10 0 EEAELP Cc1cc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)CC2)[nH]n1 ZINC000679863437 485830469 /nfs/dbraw/zinc/83/04/69/485830469.db2.gz VNFJIGNYWXYINY-IBGZPJMESA-N 2 2 342.487 2.390 10 0 EEAELP Cc1cc(C2CC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)CC2)[nH]n1 ZINC000679863437 485830476 /nfs/dbraw/zinc/83/04/76/485830476.db2.gz VNFJIGNYWXYINY-IBGZPJMESA-N 2 2 342.487 2.390 10 0 EEAELP Cc1cc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)CC2)n[nH]1 ZINC000679863437 485830481 /nfs/dbraw/zinc/83/04/81/485830481.db2.gz VNFJIGNYWXYINY-IBGZPJMESA-N 2 2 342.487 2.390 10 0 EEAELP Cc1cc(C2CC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)CC2)n[nH]1 ZINC000679863437 485830487 /nfs/dbraw/zinc/83/04/87/485830487.db2.gz VNFJIGNYWXYINY-IBGZPJMESA-N 2 2 342.487 2.390 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684843542 486016833 /nfs/dbraw/zinc/01/68/33/486016833.db2.gz HEOASQCBRIGHMK-GOEBONIOSA-N 2 2 344.434 2.243 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CC2(C1)CC(F)(F)C2)c1ccccc1 ZINC000681216311 486174967 /nfs/dbraw/zinc/17/49/67/486174967.db2.gz XKQFLPZBGQWRQT-HNNXBMFYSA-N 2 2 337.414 2.137 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCCC[NH+](C)C)c(C)c1 ZINC000676744192 486297499 /nfs/dbraw/zinc/29/74/99/486297499.db2.gz ZQLKJNDNQQQIJU-GOSISDBHSA-N 2 2 343.475 2.492 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000682389450 486460200 /nfs/dbraw/zinc/46/02/00/486460200.db2.gz PKDWZTGEHNQACZ-QGZVFWFLSA-N 2 2 335.879 2.299 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000682389450 486460203 /nfs/dbraw/zinc/46/02/03/486460203.db2.gz PKDWZTGEHNQACZ-QGZVFWFLSA-N 2 2 335.879 2.299 10 0 EEAELP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000682389450 486460206 /nfs/dbraw/zinc/46/02/06/486460206.db2.gz PKDWZTGEHNQACZ-QGZVFWFLSA-N 2 2 335.879 2.299 10 0 EEAELP C[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000682389450 486460209 /nfs/dbraw/zinc/46/02/09/486460209.db2.gz PKDWZTGEHNQACZ-QGZVFWFLSA-N 2 2 335.879 2.299 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000348154728 490753740 /nfs/dbraw/zinc/75/37/40/490753740.db2.gz BLWNHFUCLMUGSD-MLGOLLRUSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000348154728 490753744 /nfs/dbraw/zinc/75/37/44/490753744.db2.gz BLWNHFUCLMUGSD-MLGOLLRUSA-N 2 2 328.416 2.106 10 0 EEAELP O[C@H](CN[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000187820411 534429888 /nfs/dbraw/zinc/42/98/88/534429888.db2.gz XIIVBQLZTMDNDE-IAGOWNOFSA-N 2 2 332.423 2.075 10 0 EEAELP C(c1nc(C2CCCC2)no1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000132451030 527495299 /nfs/dbraw/zinc/49/52/99/527495299.db2.gz UDRXQDPDKWGDSS-UHFFFAOYSA-N 2 2 334.464 2.271 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@H](C)C1 ZINC000411429300 527743557 /nfs/dbraw/zinc/74/35/57/527743557.db2.gz WVAKWGVAFOCEJF-CZUORRHYSA-N 2 2 346.475 2.134 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)[C@H](C)C1 ZINC000411429300 527743561 /nfs/dbraw/zinc/74/35/61/527743561.db2.gz WVAKWGVAFOCEJF-CZUORRHYSA-N 2 2 346.475 2.134 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000774677199 577410387 /nfs/dbraw/zinc/41/03/87/577410387.db2.gz URBIUYJPMPUFSH-MRXNPFEDSA-N 2 2 336.439 2.241 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1CC(=O)N(C[N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000774677199 577410388 /nfs/dbraw/zinc/41/03/88/577410388.db2.gz URBIUYJPMPUFSH-MRXNPFEDSA-N 2 2 336.439 2.241 10 0 EEAELP C[C@H](C[C@H]1CCOC1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000777023984 577471171 /nfs/dbraw/zinc/47/11/71/577471171.db2.gz LIYHFHFVDJNKRL-RLLQIKCJSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H](C[C@H]1CCOC1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000777023984 577471172 /nfs/dbraw/zinc/47/11/72/577471172.db2.gz LIYHFHFVDJNKRL-RLLQIKCJSA-N 2 2 332.488 2.418 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000195267952 685006376 /nfs/dbraw/zinc/00/63/76/685006376.db2.gz KMELOHCRHJUJOB-HUUCEWRRSA-N 2 2 337.489 2.158 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000195267952 685006377 /nfs/dbraw/zinc/00/63/77/685006377.db2.gz KMELOHCRHJUJOB-HUUCEWRRSA-N 2 2 337.489 2.158 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000195267952 685006379 /nfs/dbraw/zinc/00/63/79/685006379.db2.gz KMELOHCRHJUJOB-HUUCEWRRSA-N 2 2 337.489 2.158 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000195267952 685006381 /nfs/dbraw/zinc/00/63/81/685006381.db2.gz KMELOHCRHJUJOB-HUUCEWRRSA-N 2 2 337.489 2.158 10 0 EEAELP CCO[C@@H](C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21)C[NH+](C)C ZINC000926957368 693040904 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348.491 2.038 10 0 EEAELP CC(C)=CC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001266409845 1176498648 /nfs/dbraw/zinc/49/86/48/1176498648.db2.gz RXYLUJWFVVMQJF-QZTJIDSGSA-N 2 2 345.491 2.241 10 0 EEAELP CC(C)=CC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001266409845 1176498651 /nfs/dbraw/zinc/49/86/51/1176498651.db2.gz RXYLUJWFVVMQJF-QZTJIDSGSA-N 2 2 345.491 2.241 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001266561888 1176850712 /nfs/dbraw/zinc/85/07/12/1176850712.db2.gz JAZSQFGGEGDVMA-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001671345940 1176928322 /nfs/dbraw/zinc/92/83/22/1176928322.db2.gz BEALCZSIXMDRIN-DZEIUGAOSA-N 2 2 330.476 2.461 10 0 EEAELP CN(CC[NH2+]CCOC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266731159 1177317188 /nfs/dbraw/zinc/31/71/88/1177317188.db2.gz SYCOOUIIRKMRFY-IAGOWNOFSA-N 2 2 348.491 2.301 10 0 EEAELP CN(CC[NH2+]CCOC1CCCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266731159 1177317197 /nfs/dbraw/zinc/31/71/97/1177317197.db2.gz SYCOOUIIRKMRFY-IAGOWNOFSA-N 2 2 348.491 2.301 10 0 EEAELP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691479348 1178959071 /nfs/dbraw/zinc/95/90/71/1178959071.db2.gz OVDICIVNVRMEKE-HZPDHXFCSA-N 2 2 346.862 2.425 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001481114112 1179768600 /nfs/dbraw/zinc/76/86/00/1179768600.db2.gz GRECLHZFTMTCHX-GJZGRUSLSA-N 2 2 344.434 2.366 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001481114112 1179768605 /nfs/dbraw/zinc/76/86/05/1179768605.db2.gz GRECLHZFTMTCHX-GJZGRUSLSA-N 2 2 344.434 2.366 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001481119343 1179792366 /nfs/dbraw/zinc/79/23/66/1179792366.db2.gz UHVPHLLRDGIZAE-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001481119343 1179792371 /nfs/dbraw/zinc/79/23/71/1179792371.db2.gz UHVPHLLRDGIZAE-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001481248104 1180456101 /nfs/dbraw/zinc/45/61/01/1180456101.db2.gz MSUFDUWMDWYAHT-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001481290746 1180902525 /nfs/dbraw/zinc/90/25/25/1180902525.db2.gz QAMWPMVQVGBLGU-KBPBESRZSA-N 2 2 342.434 2.462 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001481290746 1180902527 /nfs/dbraw/zinc/90/25/27/1180902527.db2.gz QAMWPMVQVGBLGU-KBPBESRZSA-N 2 2 342.434 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CCCC1CCC1 ZINC001267990976 1180930721 /nfs/dbraw/zinc/93/07/21/1180930721.db2.gz MRGFBBPBHUNNSX-RDJZCZTQSA-N 2 2 332.492 2.368 10 0 EEAELP CC(C)Cc1ccc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001481322821 1181033945 /nfs/dbraw/zinc/03/39/45/1181033945.db2.gz OIKMKYBYDVLCPY-UHFFFAOYSA-N 2 2 328.460 2.330 10 0 EEAELP C[N@H+](CCC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481490199 1181553763 /nfs/dbraw/zinc/55/37/63/1181553763.db2.gz DAMMAQCPRKHHRZ-SJORKVTESA-N 2 2 330.476 2.026 10 0 EEAELP C[N@@H+](CCC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001481490199 1181553768 /nfs/dbraw/zinc/55/37/68/1181553768.db2.gz DAMMAQCPRKHHRZ-SJORKVTESA-N 2 2 330.476 2.026 10 0 EEAELP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268239674 1182061375 /nfs/dbraw/zinc/06/13/75/1182061375.db2.gz DLKKVQZLQMIESF-QGZVFWFLSA-N 2 2 330.476 2.336 10 0 EEAELP CN(CC[N@@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268239674 1182061383 /nfs/dbraw/zinc/06/13/83/1182061383.db2.gz DLKKVQZLQMIESF-QGZVFWFLSA-N 2 2 330.476 2.336 10 0 EEAELP CCCc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)cs1 ZINC001481740867 1182468139 /nfs/dbraw/zinc/46/81/39/1182468139.db2.gz TWWQPYZQUFAOOW-OAHLLOKOSA-N 2 2 338.521 2.080 10 0 EEAELP CCCc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)cs1 ZINC001481740867 1182468148 /nfs/dbraw/zinc/46/81/48/1182468148.db2.gz TWWQPYZQUFAOOW-OAHLLOKOSA-N 2 2 338.521 2.080 10 0 EEAELP C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268407074 1182522321 /nfs/dbraw/zinc/52/23/21/1182522321.db2.gz RNJPISYETKLBAI-KGLIPLIRSA-N 2 2 333.411 2.053 10 0 EEAELP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268460020 1182741114 /nfs/dbraw/zinc/74/11/14/1182741114.db2.gz NELOPQCJNUTLOR-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)CCCC1 ZINC001481912554 1182935977 /nfs/dbraw/zinc/93/59/77/1182935977.db2.gz YETFPUWLVASHOH-GOEBONIOSA-N 2 2 348.491 2.094 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001268490521 1182982379 /nfs/dbraw/zinc/98/23/79/1182982379.db2.gz AJANNPYPJGQFSN-UHFFFAOYSA-N 2 2 349.866 2.374 10 0 EEAELP C[C@H](F)CC[NH+]1CCC(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001482049685 1183239771 /nfs/dbraw/zinc/23/97/71/1183239771.db2.gz FUBSTLMJGFOWLI-HNNXBMFYSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CCC1CCCC1 ZINC001482118888 1183361023 /nfs/dbraw/zinc/36/10/23/1183361023.db2.gz QYMNUPGXTSOJLY-DOTOQJQBSA-N 2 2 332.492 2.368 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C\CNC(=O)CC[NH+]2CCCCC2)o1 ZINC001268630669 1183553251 /nfs/dbraw/zinc/55/32/51/1183553251.db2.gz OKXVWOIDISCTIL-YIEVGGLXSA-N 2 2 334.464 2.182 10 0 EEAELP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001269634938 1184461267 /nfs/dbraw/zinc/46/12/67/1184461267.db2.gz WJNNENCRZIVADQ-GPMSIDNRSA-N 2 2 330.476 2.364 10 0 EEAELP COCC[NH2+]Cc1ccc(CNC(=O)c2cccc3[nH+]ccn32)cc1 ZINC001270065652 1184823805 /nfs/dbraw/zinc/82/38/05/1184823805.db2.gz VJCGNKAPBFOFGK-UHFFFAOYSA-N 2 2 338.411 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCCO1 ZINC001482462656 1185932598 /nfs/dbraw/zinc/93/25/98/1185932598.db2.gz NNIWQOOHFAFGIW-IRXDYDNUSA-N 2 2 348.491 2.191 10 0 EEAELP COCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001271491248 1186267251 /nfs/dbraw/zinc/26/72/51/1186267251.db2.gz OXDOJTIXZJDXSC-RDJZCZTQSA-N 2 2 344.459 2.119 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001271543462 1186302306 /nfs/dbraw/zinc/30/23/06/1186302306.db2.gz ITHISFZULXPZPQ-ZWKOTPCHSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001271543462 1186302314 /nfs/dbraw/zinc/30/23/14/1186302314.db2.gz ITHISFZULXPZPQ-ZWKOTPCHSA-N 2 2 348.491 2.272 10 0 EEAELP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001271916718 1186622620 /nfs/dbraw/zinc/62/26/20/1186622620.db2.gz VXECMSMFGAFBQW-KRWDZBQOSA-N 2 2 339.443 2.364 10 0 EEAELP CCN(CC[NH2+]CCC[C@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001482938636 1187859841 /nfs/dbraw/zinc/85/98/41/1187859841.db2.gz GQKSYCQCTHMHDM-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)c1cc(C[NH+](C)C)on1)c1ccccc1 ZINC001483028166 1188039161 /nfs/dbraw/zinc/03/91/61/1188039161.db2.gz MFQFGIXFTYFFTB-ZPIQOJFGSA-N 2 2 342.443 2.373 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)c1cc(C[NH+](C)C)on1)c1ccccc1 ZINC001483028164 1188039180 /nfs/dbraw/zinc/03/91/80/1188039180.db2.gz MFQFGIXFTYFFTB-LZNQSLFOSA-N 2 2 342.443 2.373 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001483037269 1188068885 /nfs/dbraw/zinc/06/88/85/1188068885.db2.gz MRHXJSKTKKFVGG-PYLYLYNFSA-N 2 2 340.418 2.050 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccccc21 ZINC001483038572 1188084089 /nfs/dbraw/zinc/08/40/89/1188084089.db2.gz VOJCOFRPJHJBFF-XDXAGZTOSA-N 2 2 338.455 2.302 10 0 EEAELP CCc1ccccc1C[NH2+]C/C=C\CNC(=O)Cc1[nH]c[nH+]c1C ZINC001483089498 1188453034 /nfs/dbraw/zinc/45/30/34/1188453034.db2.gz WJKOABYFEAIYRK-SREVYHEPSA-N 2 2 326.444 2.285 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC1CC(C[NH2+]CC2CC(C)(C)C2)C1 ZINC001409292801 1188606076 /nfs/dbraw/zinc/60/60/76/1188606076.db2.gz PUXNASRAHFWBHV-UHFFFAOYSA-N 2 2 332.492 2.273 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)sn1 ZINC001483149211 1188864427 /nfs/dbraw/zinc/86/44/27/1188864427.db2.gz LQRQCJOABNRLLW-GFCCVEGCSA-N 2 2 329.429 2.007 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC[C@@H](C)NC(=O)CCc2[nH+]ccn2C)c1 ZINC001272927733 1193609831 /nfs/dbraw/zinc/60/98/31/1193609831.db2.gz VEGPYIOCEVOTBK-OAHLLOKOSA-N 2 2 346.450 2.485 10 0 EEAELP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001409437567 1189676154 /nfs/dbraw/zinc/67/61/54/1189676154.db2.gz BYBUPLRAKWXUGL-GJZGRUSLSA-N 2 2 338.471 2.268 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001409444524 1189686531 /nfs/dbraw/zinc/68/65/31/1189686531.db2.gz CKRUNRDUWPCPRL-NWDGAFQWSA-N 2 2 338.814 2.359 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc2nc(C)sc2C)c[nH+]1 ZINC001483239650 1190269584 /nfs/dbraw/zinc/26/95/84/1190269584.db2.gz DEZAEFVXRMEOIW-NSHDSACASA-N 2 2 349.504 2.294 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001483242168 1190271855 /nfs/dbraw/zinc/27/18/55/1190271855.db2.gz CFEYWQBTWHKZTM-FUHWJXTLSA-N 2 2 340.471 2.357 10 0 EEAELP Cc1conc1C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001409825047 1190656593 /nfs/dbraw/zinc/65/65/93/1190656593.db2.gz IYWMAXZKQWTJLJ-NVXWUHKLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001409825047 1190656594 /nfs/dbraw/zinc/65/65/94/1190656594.db2.gz IYWMAXZKQWTJLJ-NVXWUHKLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001409825047 1190656597 /nfs/dbraw/zinc/65/65/97/1190656597.db2.gz IYWMAXZKQWTJLJ-NVXWUHKLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001409825047 1190656598 /nfs/dbraw/zinc/65/65/98/1190656598.db2.gz IYWMAXZKQWTJLJ-NVXWUHKLSA-N 2 2 348.491 2.186 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCC[N@@H+]1Cc1cncs1 ZINC001409825586 1190658323 /nfs/dbraw/zinc/65/83/23/1190658323.db2.gz ARKCWATZEVTETK-OAHLLOKOSA-N 2 2 336.505 2.100 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCC[N@H+]1Cc1cncs1 ZINC001409825586 1190658324 /nfs/dbraw/zinc/65/83/24/1190658324.db2.gz ARKCWATZEVTETK-OAHLLOKOSA-N 2 2 336.505 2.100 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+]2CC[C@@H]2CNC(=O)Cn2c[nH+]cc2C)c1 ZINC001483664235 1190724264 /nfs/dbraw/zinc/72/42/64/1190724264.db2.gz NKZGZATWOJHTIK-NVXWUHKLSA-N 2 2 342.443 2.152 10 0 EEAELP COc1cccc([C@@H](C)[N@H+]2CC[C@@H]2CNC(=O)Cn2c[nH+]cc2C)c1 ZINC001483664235 1190724265 /nfs/dbraw/zinc/72/42/65/1190724265.db2.gz NKZGZATWOJHTIK-NVXWUHKLSA-N 2 2 342.443 2.152 10 0 EEAELP C[C@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484098826 1191210060 /nfs/dbraw/zinc/21/00/60/1191210060.db2.gz AXUAKZUCDCTKJA-ZJZZUIQCSA-N 2 2 336.867 2.026 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001484890888 1191563532 /nfs/dbraw/zinc/56/35/32/1191563532.db2.gz ASWXGQQCVPRRQB-GUYCJALGSA-N 2 2 330.432 2.038 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001484935904 1191579855 /nfs/dbraw/zinc/57/98/55/1191579855.db2.gz BSVPOPHJLBHZMK-QGZVFWFLSA-N 2 2 344.459 2.430 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001484935904 1191579857 /nfs/dbraw/zinc/57/98/57/1191579857.db2.gz BSVPOPHJLBHZMK-QGZVFWFLSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485063472 1191640580 /nfs/dbraw/zinc/64/05/80/1191640580.db2.gz PAZQJRPYINQSCV-WMZOPIPTSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485063472 1191640581 /nfs/dbraw/zinc/64/05/81/1191640581.db2.gz PAZQJRPYINQSCV-WMZOPIPTSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)C[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccon2)C1)n1cc[nH+]c1 ZINC001485093346 1191653432 /nfs/dbraw/zinc/65/34/32/1191653432.db2.gz FWACLQDVCHXNNR-PREGVCBESA-N 2 2 345.447 2.143 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001485093763 1191653501 /nfs/dbraw/zinc/65/35/01/1191653501.db2.gz BPRUPOQANYACLE-UHFFFAOYSA-N 2 2 330.407 2.166 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001485093763 1191653502 /nfs/dbraw/zinc/65/35/02/1191653502.db2.gz BPRUPOQANYACLE-UHFFFAOYSA-N 2 2 330.407 2.166 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001485145314 1191664373 /nfs/dbraw/zinc/66/43/73/1191664373.db2.gz CKHSXCNJIAQEAJ-LSDHHAIUSA-N 2 2 336.480 2.230 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001485145309 1191664612 /nfs/dbraw/zinc/66/46/12/1191664612.db2.gz CKHSXCNJIAQEAJ-CABCVRRESA-N 2 2 336.480 2.230 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC1(C[NH2+]Cc2cscn2)CCCCC1 ZINC001485452912 1191790386 /nfs/dbraw/zinc/79/03/86/1191790386.db2.gz KUHZXWUYXBWXFA-UHFFFAOYSA-N 2 2 347.488 2.257 10 0 EEAELP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001485513827 1191816512 /nfs/dbraw/zinc/81/65/12/1191816512.db2.gz RLNASFWOPMTQDC-HOTGVXAUSA-N 2 2 332.492 2.318 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC001486236024 1193762454 /nfs/dbraw/zinc/76/24/54/1193762454.db2.gz LCWUEUVTDMKSCT-HZPDHXFCSA-N 2 2 330.476 2.238 10 0 EEAELP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)Cn3cc[nH+]c3)CC2)s1 ZINC001486451857 1193967346 /nfs/dbraw/zinc/96/73/46/1193967346.db2.gz UVESEUPCIRGSOJ-ZDUSSCGKSA-N 2 2 347.488 2.065 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NCC1=CC[N@H+](Cc2ccccn2)CC1 ZINC001486521581 1194044645 /nfs/dbraw/zinc/04/46/45/1194044645.db2.gz GAQTVPQIBIJSRL-UHFFFAOYSA-N 2 2 339.443 2.007 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NCC1=CC[N@@H+](Cc2ccccn2)CC1 ZINC001486521581 1194044647 /nfs/dbraw/zinc/04/46/47/1194044647.db2.gz GAQTVPQIBIJSRL-UHFFFAOYSA-N 2 2 339.443 2.007 10 0 EEAELP C[C@H](CC[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273090772 1194378146 /nfs/dbraw/zinc/37/81/46/1194378146.db2.gz OYHSBCCCRLFYQP-MNOVXSKESA-N 2 2 333.263 2.021 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001410199220 1197599815 /nfs/dbraw/zinc/59/98/15/1197599815.db2.gz QAOAORZPDZSDTM-OKZBNKHCSA-N 2 2 330.476 2.290 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001410199220 1197599817 /nfs/dbraw/zinc/59/98/17/1197599817.db2.gz QAOAORZPDZSDTM-OKZBNKHCSA-N 2 2 330.476 2.290 10 0 EEAELP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)cs1 ZINC001410234893 1197623430 /nfs/dbraw/zinc/62/34/30/1197623430.db2.gz WOOBHBDGUFPBGK-SHTZXODSSA-N 2 2 347.488 2.113 10 0 EEAELP Cc1nocc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001410317796 1197696997 /nfs/dbraw/zinc/69/69/97/1197696997.db2.gz YUCHFDCBASHCGR-GUYCJALGSA-N 2 2 345.447 2.157 10 0 EEAELP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1nccs1 ZINC001411010652 1198688524 /nfs/dbraw/zinc/68/85/24/1198688524.db2.gz IRXUDUIJSBKVQK-CQSZACIVSA-N 2 2 347.488 2.147 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001273434938 1198916928 /nfs/dbraw/zinc/91/69/28/1198916928.db2.gz WXGOGQDDFIOZAH-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001273434938 1198916931 /nfs/dbraw/zinc/91/69/31/1198916931.db2.gz WXGOGQDDFIOZAH-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCCCCF ZINC001691697159 1199144043 /nfs/dbraw/zinc/14/40/43/1199144043.db2.gz SHEPQZYMRUQGME-VYDXJSESSA-N 2 2 336.455 2.164 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCCCCF ZINC001691697159 1199144047 /nfs/dbraw/zinc/14/40/47/1199144047.db2.gz SHEPQZYMRUQGME-VYDXJSESSA-N 2 2 336.455 2.164 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)CC1 ZINC000878823930 1200698440 /nfs/dbraw/zinc/69/84/40/1200698440.db2.gz MMQQJKCLSKQMHT-HFSMHLIXSA-N 2 2 341.499 2.249 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@]3(C)c3ccccc3)C2)CC1 ZINC000878823930 1200698448 /nfs/dbraw/zinc/69/84/48/1200698448.db2.gz MMQQJKCLSKQMHT-HFSMHLIXSA-N 2 2 341.499 2.249 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000870910877 1200947536 /nfs/dbraw/zinc/94/75/36/1200947536.db2.gz ONQUBCMCQDZMFU-MCPWVCTESA-N 2 2 337.414 2.344 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000870910877 1200947538 /nfs/dbraw/zinc/94/75/38/1200947538.db2.gz ONQUBCMCQDZMFU-MCPWVCTESA-N 2 2 337.414 2.344 10 0 EEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707186 1201585158 /nfs/dbraw/zinc/58/51/58/1201585158.db2.gz SYYYUOBLXCZGFL-OAHLLOKOSA-N 2 2 337.430 2.483 10 0 EEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707186 1201585160 /nfs/dbraw/zinc/58/51/60/1201585160.db2.gz SYYYUOBLXCZGFL-OAHLLOKOSA-N 2 2 337.430 2.483 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001274132494 1204393968 /nfs/dbraw/zinc/39/39/68/1204393968.db2.gz AYHZBBGNGLUUDL-CHYADLBTSA-N 2 2 338.455 2.216 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)CCc2[nH+]ccn2C)cc1C ZINC001274227839 1204900687 /nfs/dbraw/zinc/90/06/87/1204900687.db2.gz LJKSORSLNRSJPW-SNAWJCMRSA-N 2 2 340.471 2.432 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCOCC3CC3)ccn12 ZINC001275402585 1205341124 /nfs/dbraw/zinc/34/11/24/1205341124.db2.gz AIMBMEXDXHWUIN-HUUCEWRRSA-N 2 2 344.459 2.166 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000924643538 1206009503 /nfs/dbraw/zinc/00/95/03/1206009503.db2.gz OPYKCJKLHBWANW-NJYVYQBISA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000924643538 1206009505 /nfs/dbraw/zinc/00/95/05/1206009505.db2.gz OPYKCJKLHBWANW-NJYVYQBISA-N 2 2 344.499 2.200 10 0 EEAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@]2([NH+](C)C)CCSC2)n(C)n1 ZINC000925214537 1206084087 /nfs/dbraw/zinc/08/40/87/1206084087.db2.gz KMQKFFALFXAFFH-JQHSSLGASA-N 2 2 336.549 2.467 10 0 EEAELP C[C@H](CN[C@H]1C[C@@H]([NH3+])C12CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000925546865 1206126035 /nfs/dbraw/zinc/12/60/35/1206126035.db2.gz QMXWHBFSHBAZLA-QRQLOZEOSA-N 2 2 328.504 2.057 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]CCCN3CCCC3=O)CC2)cc1 ZINC000159538082 1208474822 /nfs/dbraw/zinc/47/48/22/1208474822.db2.gz AYGAKDUHTXTHGJ-UHFFFAOYSA-N 2 2 344.503 2.324 10 0 EEAELP COC(=O)/C=C\c1ccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903472574 1240578981 /nfs/dbraw/zinc/57/89/81/1240578981.db2.gz SHQZRIFHXBLUME-CTEOGUNLSA-N 2 2 330.428 2.126 10 0 EEAELP COC(=O)/C=C/c1ccc(OCC[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000903472575 1240579509 /nfs/dbraw/zinc/57/95/09/1240579509.db2.gz SHQZRIFHXBLUME-JZLODUJNSA-N 2 2 330.428 2.126 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903908785 1242432429 /nfs/dbraw/zinc/43/24/29/1242432429.db2.gz PQGRQYOPPSLDQH-MNOVXSKESA-N 2 2 345.356 2.092 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](C[C@@H]([NH3+])CC(F)F)C1 ZINC000903908785 1242432434 /nfs/dbraw/zinc/43/24/34/1242432434.db2.gz PQGRQYOPPSLDQH-MNOVXSKESA-N 2 2 345.356 2.092 10 0 EEAELP COC(=O)[C@H](Cc1cc2ccccc2o1)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000903959934 1242733318 /nfs/dbraw/zinc/73/33/18/1242733318.db2.gz SGKLVXWJMZEVSY-KEYYUXOJSA-N 2 2 330.428 2.495 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001491508240 1259159843 /nfs/dbraw/zinc/15/98/43/1259159843.db2.gz QJENLYVTVUYYLB-GDBMZVCRSA-N 2 2 330.476 2.120 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]c[nH+]c3C)C2)o1 ZINC001488967002 1290297903 /nfs/dbraw/zinc/29/79/03/1290297903.db2.gz YYBPCBASBSAADD-QLFBSQMISA-N 2 2 345.447 2.193 10 0 EEAELP CCO[C@@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C[NH+](C)C ZINC000926965446 1296972233 /nfs/dbraw/zinc/97/22/33/1296972233.db2.gz RKBIBKUBLFROCX-PBHICJAKSA-N 2 2 335.448 2.261 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001491162770 1299642966 /nfs/dbraw/zinc/64/29/66/1299642966.db2.gz AQNPARXAVLISBS-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]2C1 ZINC001276839125 1299864798 /nfs/dbraw/zinc/86/47/98/1299864798.db2.gz GHFNKHQAPCVPOB-ARFHVFGLSA-N 2 2 336.455 2.309 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[N@H+](CCCCCF)C[C@H]2C1 ZINC001276839125 1299864814 /nfs/dbraw/zinc/86/48/14/1299864814.db2.gz GHFNKHQAPCVPOB-ARFHVFGLSA-N 2 2 336.455 2.309 10 0 EEAELP CCC[NH2+]C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC001278241361 1308902247 /nfs/dbraw/zinc/90/22/47/1308902247.db2.gz OJRVLIVVNRDXOT-QGZVFWFLSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)OCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278555501 1317221221 /nfs/dbraw/zinc/22/12/21/1317221221.db2.gz AWMZUKMPWVQDCP-AEFFLSMTSA-N 2 2 336.480 2.087 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@](C)(C[NH2+]CCC(F)(F)F)C1 ZINC001278576706 1317266479 /nfs/dbraw/zinc/26/64/79/1317266479.db2.gz JHXGGQGXJXLCRF-OAHLLOKOSA-N 2 2 346.397 2.133 10 0 EEAELP COCCCC[NH2+][C@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001264684400 1322783265 /nfs/dbraw/zinc/78/32/65/1322783265.db2.gz XYKNPXMAWPZIEP-INIZCTEOSA-N 2 2 336.480 2.048 10 0 EEAELP C[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CCc1ccns1 ZINC001265011555 1322857280 /nfs/dbraw/zinc/85/72/80/1322857280.db2.gz SAQMGNLPHVZSGN-UHFFFAOYSA-N 2 2 343.456 2.085 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CCc1ccns1 ZINC001265011555 1322857281 /nfs/dbraw/zinc/85/72/81/1322857281.db2.gz SAQMGNLPHVZSGN-UHFFFAOYSA-N 2 2 343.456 2.085 10 0 EEAELP C[C@H]([NH2+]CCCCCF)[C@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001265092493 1322916547 /nfs/dbraw/zinc/91/65/47/1322916547.db2.gz RNVRBROWDVBXEL-DOTOQJQBSA-N 2 2 338.471 2.462 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001265551724 1323216426 /nfs/dbraw/zinc/21/64/26/1323216426.db2.gz JPPQMYLJBCHLRZ-RWMBFGLXSA-N 2 2 345.274 2.094 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001265991141 1323549372 /nfs/dbraw/zinc/54/93/72/1323549372.db2.gz ZTBGBEPUFIGOAH-RYTMFUSVSA-N 2 2 330.476 2.240 10 0 EEAELP CCCCC[N@H+]1C[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC001279362878 1323886099 /nfs/dbraw/zinc/88/60/99/1323886099.db2.gz MOSNYCAIYXVXHH-CALCHBBNSA-N 2 2 344.503 2.342 10 0 EEAELP CCCCC[N@@H+]1C[C@H]2CN(C(=O)Cc3cn4c([nH+]3)CCCC4)C[C@H]2C1 ZINC001279362878 1323886105 /nfs/dbraw/zinc/88/61/05/1323886105.db2.gz MOSNYCAIYXVXHH-CALCHBBNSA-N 2 2 344.503 2.342 10 0 EEAELP CO[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001280094168 1324082507 /nfs/dbraw/zinc/08/25/07/1324082507.db2.gz IVEXJFDQVLVBCZ-KGLIPLIRSA-N 2 2 330.432 2.040 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001280096286 1324083707 /nfs/dbraw/zinc/08/37/07/1324083707.db2.gz USTPGXHGBCFLFE-SDGSAWSUSA-N 2 2 336.867 2.026 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC1CC(C[NH2+]CCc2ccccc2)C1 ZINC001282031282 1325584904 /nfs/dbraw/zinc/58/49/04/1325584904.db2.gz WZACEGALPSAZFF-UHFFFAOYSA-N 2 2 340.471 2.080 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001283681856 1326199685 /nfs/dbraw/zinc/19/96/85/1326199685.db2.gz WQTUXLBACGQCIF-MRXNPFEDSA-N 2 2 344.459 2.085 10 0 EEAELP CO[C@@H](C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001491967524 1330363750 /nfs/dbraw/zinc/36/37/50/1330363750.db2.gz QNYWOFRKSFHYTI-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@@H](C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001491967524 1330363757 /nfs/dbraw/zinc/36/37/57/1330363757.db2.gz QNYWOFRKSFHYTI-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1cccc(F)c1 ZINC001492047598 1330420736 /nfs/dbraw/zinc/42/07/36/1330420736.db2.gz VPZVKGJANXMIHL-GDBMZVCRSA-N 2 2 344.434 2.269 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCc2c1cc(F)cc2F ZINC001316851887 1331460942 /nfs/dbraw/zinc/46/09/42/1331460942.db2.gz AISQLPOTEBRUAL-KRWDZBQOSA-N 2 2 348.397 2.356 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCc2c1cc(F)cc2F ZINC001316851887 1331460946 /nfs/dbraw/zinc/46/09/46/1331460946.db2.gz AISQLPOTEBRUAL-KRWDZBQOSA-N 2 2 348.397 2.356 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCc2c1cc(F)cc2F ZINC001316851888 1331461216 /nfs/dbraw/zinc/46/12/16/1331461216.db2.gz AISQLPOTEBRUAL-QGZVFWFLSA-N 2 2 348.397 2.356 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCc2c1cc(F)cc2F ZINC001316851888 1331461239 /nfs/dbraw/zinc/46/12/39/1331461239.db2.gz AISQLPOTEBRUAL-QGZVFWFLSA-N 2 2 348.397 2.356 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001316829728 1331920036 /nfs/dbraw/zinc/92/00/36/1331920036.db2.gz VHTGAWFHFLXKAL-ZIAGYGMSSA-N 2 2 347.488 2.225 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001316829728 1331920038 /nfs/dbraw/zinc/92/00/38/1331920038.db2.gz VHTGAWFHFLXKAL-ZIAGYGMSSA-N 2 2 347.488 2.225 10 0 EEAELP Cc1noc(C)c1C[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001316851684 1331935473 /nfs/dbraw/zinc/93/54/73/1331935473.db2.gz FQBAVWKKZTVIHB-CYBMUJFWSA-N 2 2 333.436 2.077 10 0 EEAELP Cc1noc(C)c1C[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001316851684 1331935476 /nfs/dbraw/zinc/93/54/76/1331935476.db2.gz FQBAVWKKZTVIHB-CYBMUJFWSA-N 2 2 333.436 2.077 10 0 EEAELP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317605888 1332322285 /nfs/dbraw/zinc/32/22/85/1332322285.db2.gz JQDQMQSHRFGAFZ-OAHLLOKOSA-N 2 2 346.862 2.347 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001317644162 1332345112 /nfs/dbraw/zinc/34/51/12/1332345112.db2.gz UFJLLPJXBAOECN-HOTGVXAUSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)o1 ZINC001317644162 1332345116 /nfs/dbraw/zinc/34/51/16/1332345116.db2.gz UFJLLPJXBAOECN-HOTGVXAUSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@](C[NH2+]CCC(F)(F)F)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001318711172 1332581690 /nfs/dbraw/zinc/58/16/90/1332581690.db2.gz LJCPWGCYPXMDBZ-CQSZACIVSA-N 2 2 332.370 2.100 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)F)CC1 ZINC001318976648 1332631405 /nfs/dbraw/zinc/63/14/05/1332631405.db2.gz QUFHHQFENCQQHD-HAQNSBGRSA-N 2 2 341.393 2.246 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)F)CC1 ZINC001318976648 1332631408 /nfs/dbraw/zinc/63/14/08/1332631408.db2.gz QUFHHQFENCQQHD-HAQNSBGRSA-N 2 2 341.393 2.246 10 0 EEAELP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001319947024 1332800866 /nfs/dbraw/zinc/80/08/66/1332800866.db2.gz KCPAUHQOWXHRBB-YPMHNXCESA-N 2 2 347.290 2.267 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC001321337589 1333078184 /nfs/dbraw/zinc/07/81/84/1333078184.db2.gz PJKKCMVVDSCARG-PLNGDYQASA-N 2 2 326.444 2.042 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001324262472 1333645275 /nfs/dbraw/zinc/64/52/75/1333645275.db2.gz FXONSHCYVXPMLZ-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001324749797 1333751876 /nfs/dbraw/zinc/75/18/76/1333751876.db2.gz BVQFEKUFBJSVFE-QFBILLFUSA-N 2 2 330.476 2.074 10 0 EEAELP C[C@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001324752992 1333752624 /nfs/dbraw/zinc/75/26/24/1333752624.db2.gz UBFHVWBVGVLUKF-YWUQXMNQSA-N 2 2 336.867 2.026 10 0 EEAELP CCOCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001325416019 1333882327 /nfs/dbraw/zinc/88/23/27/1333882327.db2.gz KMBGTAQUSGUHQY-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001326287499 1334059786 /nfs/dbraw/zinc/05/97/86/1334059786.db2.gz LLKLSWJLRBEYHS-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001326287499 1334059787 /nfs/dbraw/zinc/05/97/87/1334059787.db2.gz LLKLSWJLRBEYHS-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001326446534 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HCAPAKOPLQRCOK-BBRMVZONSA-N 2 2 333.461 2.072 10 0 EEAELP C[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001500263928 1342120453 /nfs/dbraw/zinc/12/04/53/1342120453.db2.gz HCAPAKOPLQRCOK-BBRMVZONSA-N 2 2 333.461 2.072 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCO[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001673343468 1356670172 /nfs/dbraw/zinc/67/01/72/1356670172.db2.gz YGFQJRGKNXWBCB-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCCCc1ccccc1 ZINC001567386090 1342750911 /nfs/dbraw/zinc/75/09/11/1342750911.db2.gz AFQOVFQJZHOZNZ-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC001567386090 1342750916 /nfs/dbraw/zinc/75/09/16/1342750916.db2.gz AFQOVFQJZHOZNZ-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC001569411753 1342866749 /nfs/dbraw/zinc/86/67/49/1342866749.db2.gz IZCNULWOZMVJJR-UHFFFAOYSA-N 2 2 337.427 2.193 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CCCc1ccsc1 ZINC001569559551 1342897136 /nfs/dbraw/zinc/89/71/36/1342897136.db2.gz ONYNHIBGLVSSAN-HNNXBMFYSA-N 2 2 332.473 2.227 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cc1 ZINC001569856209 1342959422 /nfs/dbraw/zinc/95/94/22/1342959422.db2.gz SJBYPFQUFLMALV-HKUYNNGSSA-N 2 2 340.471 2.118 10 0 EEAELP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001569864324 1342962450 /nfs/dbraw/zinc/96/24/50/1342962450.db2.gz SAVVVQZZPQYUAB-BRWVUGGUSA-N 2 2 332.492 2.368 10 0 EEAELP CC1CC(C[NH2+]CC[C@@H]2CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001570017052 1343000826 /nfs/dbraw/zinc/00/08/26/1343000826.db2.gz NMTJIFYZFUATDI-AQFXKWCLSA-N 2 2 332.492 2.227 10 0 EEAELP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001570344005 1343058547 /nfs/dbraw/zinc/05/85/47/1343058547.db2.gz HYRKIUHCILYBCZ-HXHJPBPVSA-N 2 2 331.460 2.426 10 0 EEAELP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001571362144 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APWRQAACZZMQEK-IXDOHACOSA-N 2 2 336.480 2.086 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCc2c1c(F)ccc2F ZINC001660313992 1354437717 /nfs/dbraw/zinc/43/77/17/1354437717.db2.gz XKUULHQZCAKIAL-INIZCTEOSA-N 2 2 348.397 2.356 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@H]1CCc2c1c(F)ccc2F ZINC001660313992 1354437721 /nfs/dbraw/zinc/43/77/21/1354437721.db2.gz XKUULHQZCAKIAL-INIZCTEOSA-N 2 2 348.397 2.356 10 0 EEAELP Cc1ccc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)cc1 ZINC001660757072 1354533042 /nfs/dbraw/zinc/53/30/42/1354533042.db2.gz GDORVXOZSRYEDL-UHFFFAOYSA-N 2 2 326.444 2.362 10 0 EEAELP Cc1ccc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)cc1 ZINC001660757072 1354533044 /nfs/dbraw/zinc/53/30/44/1354533044.db2.gz GDORVXOZSRYEDL-UHFFFAOYSA-N 2 2 326.444 2.362 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)c(C)[nH+]1 ZINC001662287424 1354775702 /nfs/dbraw/zinc/77/57/02/1354775702.db2.gz DCFPXIRAWIPZKA-GXTWGEPZSA-N 2 2 341.402 2.139 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001663536917 1354982019 /nfs/dbraw/zinc/98/20/19/1354982019.db2.gz GVZGVVLGOYMQNH-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001663536917 1354982009 /nfs/dbraw/zinc/98/20/09/1354982009.db2.gz GVZGVVLGOYMQNH-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001663536917 1354982012 /nfs/dbraw/zinc/98/20/12/1354982012.db2.gz GVZGVVLGOYMQNH-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001663536917 1354982016 /nfs/dbraw/zinc/98/20/16/1354982016.db2.gz GVZGVVLGOYMQNH-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001664028438 1355076814 /nfs/dbraw/zinc/07/68/14/1355076814.db2.gz LVDLETJREVBWGJ-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001664223980 1355115921 /nfs/dbraw/zinc/11/59/21/1355115921.db2.gz XOPUHIYYDCIUNG-UHFFFAOYSA-N 2 2 335.477 2.020 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H]1CCCOC1 ZINC001664513363 1355183327 /nfs/dbraw/zinc/18/33/27/1355183327.db2.gz HKJNAWXDVSKKJD-GVDBMIGSSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@@H]1CCCOC1 ZINC001664513363 1355183330 /nfs/dbraw/zinc/18/33/30/1355183330.db2.gz HKJNAWXDVSKKJD-GVDBMIGSSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H]1CCCOC1 ZINC001664513363 1355183332 /nfs/dbraw/zinc/18/33/32/1355183332.db2.gz HKJNAWXDVSKKJD-GVDBMIGSSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@@H]1CCCOC1 ZINC001664513363 1355183335 /nfs/dbraw/zinc/18/33/35/1355183335.db2.gz HKJNAWXDVSKKJD-GVDBMIGSSA-N 2 2 348.491 2.157 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+]3CCCC3)C2)no1 ZINC001665691017 1355362013 /nfs/dbraw/zinc/36/20/13/1355362013.db2.gz BMBOMONSFVXIAS-GOSISDBHSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+]3CCCC3)C2)no1 ZINC001665691017 1355362018 /nfs/dbraw/zinc/36/20/18/1355362018.db2.gz BMBOMONSFVXIAS-GOSISDBHSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]Cc2ccccn2)CC1 ZINC001666259804 1355498409 /nfs/dbraw/zinc/49/84/09/1355498409.db2.gz VNRWYUJBFYBMOV-UHFFFAOYSA-N 2 2 341.459 2.074 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@@H](C)C[NH2+]CC[C@H](C)F)[nH+]c12 ZINC001666635520 1355556912 /nfs/dbraw/zinc/55/69/12/1355556912.db2.gz JOFMCGBUCRQKPL-ZFWWWQNUSA-N 2 2 334.439 2.275 10 0 EEAELP CCC/C=C/CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001666708992 1355572694 /nfs/dbraw/zinc/57/26/94/1355572694.db2.gz VHXPQFWSEANKDD-PJHKVULZSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C/CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001666708992 1355572696 /nfs/dbraw/zinc/57/26/96/1355572696.db2.gz VHXPQFWSEANKDD-PJHKVULZSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C/CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001666708992 1355572697 /nfs/dbraw/zinc/57/26/97/1355572697.db2.gz VHXPQFWSEANKDD-PJHKVULZSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C/CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001666708992 1355572702 /nfs/dbraw/zinc/57/27/02/1355572702.db2.gz VHXPQFWSEANKDD-PJHKVULZSA-N 2 2 337.508 2.034 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001667313022 1355706917 /nfs/dbraw/zinc/70/69/17/1355706917.db2.gz PLWPUJDKXPICFJ-SJORKVTESA-N 2 2 348.491 2.059 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001668146785 1355885223 /nfs/dbraw/zinc/88/52/23/1355885223.db2.gz GWLZRILCDQHVAX-MRXNPFEDSA-N 2 2 328.460 2.346 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)o1 ZINC001668229426 1355904506 /nfs/dbraw/zinc/90/45/06/1355904506.db2.gz NCKRDWXAUKVCKI-CHWSQXEVSA-N 2 2 333.436 2.124 10 0 EEAELP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001668966573 1356056374 /nfs/dbraw/zinc/05/63/74/1356056374.db2.gz CXJZBUQXRQZPDD-ONEGZZNKSA-N 2 2 326.444 2.352 10 0 EEAELP COc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2c[nH]c[nH+]2)cc1Cl ZINC001669063813 1356080189 /nfs/dbraw/zinc/08/01/89/1356080189.db2.gz MSXOZPZTDWWYFJ-NSCUHMNNSA-N 2 2 348.834 2.076 10 0 EEAELP CN(CCC[NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)Cc1[nH]cc[nH+]1 ZINC001670291378 1356313057 /nfs/dbraw/zinc/31/30/57/1356313057.db2.gz JSAYWRBWBCMVQD-UHFFFAOYSA-N 2 2 349.504 2.345 10 0 EEAELP CC(C)=CC[NH2+][C@@]1(CO)CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001673676322 1356732639 /nfs/dbraw/zinc/73/26/39/1356732639.db2.gz RHHHFYHGFGQAIJ-IBGZPJMESA-N 2 2 342.443 2.086 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1 ZINC001699853265 1405527862 /nfs/dbraw/zinc/52/78/62/1405527862.db2.gz GKSSGIRSQLQWSF-AWEZNQCLSA-N 2 2 332.370 2.041 10 0 EEAELP FC(F)(F)[C@]1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCN1 ZINC000925859864 779651893 /nfs/dbraw/zinc/65/18/93/779651893.db2.gz UDWMHCMLHJVYRV-OAHLLOKOSA-N 2 2 328.382 2.325 10 0 EEAELP OC1(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CCCCC1 ZINC000818979296 785347736 /nfs/dbraw/zinc/34/77/36/785347736.db2.gz YOKYRHYCRUVJSM-UHFFFAOYSA-N 2 2 348.487 2.182 10 0 EEAELP Cc1nc(Cl)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000823079831 787555782 /nfs/dbraw/zinc/55/57/82/787555782.db2.gz PQEGKVUMPYIPKY-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP Cc1nc(Cl)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000823079831 787555786 /nfs/dbraw/zinc/55/57/86/787555786.db2.gz PQEGKVUMPYIPKY-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1-c1ccncc1 ZINC000912386460 788137267 /nfs/dbraw/zinc/13/72/67/788137267.db2.gz DZQYQXNQFWNSRU-UHFFFAOYSA-N 2 2 340.471 2.362 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1-c1ccncc1 ZINC000912386460 788137275 /nfs/dbraw/zinc/13/72/75/788137275.db2.gz DZQYQXNQFWNSRU-UHFFFAOYSA-N 2 2 340.471 2.362 10 0 EEAELP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000912647966 788280336 /nfs/dbraw/zinc/28/03/36/788280336.db2.gz CAQZQHKHTJIOFB-RDJZCZTQSA-N 2 2 332.492 2.483 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000846205819 790075843 /nfs/dbraw/zinc/07/58/43/790075843.db2.gz UFTIZFOJBBLBHL-QGZVFWFLSA-N 2 2 341.459 2.229 10 0 EEAELP COC(=O)[C@@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000952995440 796183196 /nfs/dbraw/zinc/18/31/96/796183196.db2.gz MEROEFKZMBGIRV-IAGOWNOFSA-N 2 2 346.471 2.303 10 0 EEAELP COC(=O)[C@@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000952995440 796183197 /nfs/dbraw/zinc/18/31/97/796183197.db2.gz MEROEFKZMBGIRV-IAGOWNOFSA-N 2 2 346.471 2.303 10 0 EEAELP Cc1ncoc1C[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001566520206 1125692843 /nfs/dbraw/zinc/69/28/43/1125692843.db2.gz URKZTFQFNVQQBV-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1ncoc1C[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001566520206 1125692845 /nfs/dbraw/zinc/69/28/45/1125692845.db2.gz URKZTFQFNVQQBV-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP CC(C)CC[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001566590727 1125780170 /nfs/dbraw/zinc/78/01/70/1125780170.db2.gz UTMYZTQTTCILKH-MRXNPFEDSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CC[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001566590727 1125780176 /nfs/dbraw/zinc/78/01/76/1125780176.db2.gz UTMYZTQTTCILKH-MRXNPFEDSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001436431314 1087800812 /nfs/dbraw/zinc/80/08/12/1087800812.db2.gz FDXUVUHECIJXSZ-KBPBESRZSA-N 2 2 346.397 2.156 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)[C@@H]1C)n1cc[nH+]c1 ZINC001436485700 1087980930 /nfs/dbraw/zinc/98/09/30/1087980930.db2.gz ZJKIAWPICHTVGK-UXLLHSPISA-N 2 2 327.432 2.008 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)[C@@H]1C)n1cc[nH+]c1 ZINC001436485700 1087980939 /nfs/dbraw/zinc/98/09/39/1087980939.db2.gz ZJKIAWPICHTVGK-UXLLHSPISA-N 2 2 327.432 2.008 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001437169026 1089189752 /nfs/dbraw/zinc/18/97/52/1089189752.db2.gz JWVHNZXEPQHWJQ-FSNWXROXSA-N 2 2 339.439 2.440 10 0 EEAELP C[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CC(C)(C)C1 ZINC001437464719 1089788465 /nfs/dbraw/zinc/78/84/65/1089788465.db2.gz DKRYLRCPEWIIIO-UHFFFAOYSA-N 2 2 332.492 2.246 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CC(C)(C)C1 ZINC001437464719 1089788477 /nfs/dbraw/zinc/78/84/77/1089788477.db2.gz DKRYLRCPEWIIIO-UHFFFAOYSA-N 2 2 332.492 2.246 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001437729784 1090285785 /nfs/dbraw/zinc/28/57/85/1090285785.db2.gz MWHPGXRFJZMKAY-XJKSGUPXSA-N 2 2 345.447 2.077 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001437729784 1090285790 /nfs/dbraw/zinc/28/57/90/1090285790.db2.gz MWHPGXRFJZMKAY-XJKSGUPXSA-N 2 2 345.447 2.077 10 0 EEAELP Cc1ncc(C[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C2CC2)o1 ZINC001437814657 1090407489 /nfs/dbraw/zinc/40/74/89/1090407489.db2.gz WBMMOISDNCXXKV-GOSISDBHSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncc(C[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C2CC2)o1 ZINC001437814657 1090407491 /nfs/dbraw/zinc/40/74/91/1090407491.db2.gz WBMMOISDNCXXKV-GOSISDBHSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncc(C[N@@H+](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C2CC2)o1 ZINC001437814657 1090407494 /nfs/dbraw/zinc/40/74/94/1090407494.db2.gz WBMMOISDNCXXKV-GOSISDBHSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncc(C[N@H+](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C2CC2)o1 ZINC001437814657 1090407496 /nfs/dbraw/zinc/40/74/96/1090407496.db2.gz WBMMOISDNCXXKV-GOSISDBHSA-N 2 2 348.491 2.327 10 0 EEAELP CC[C@H](F)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001437867466 1090446837 /nfs/dbraw/zinc/44/68/37/1090446837.db2.gz CYMLYEVQYQNXAX-DLBZAZTESA-N 2 2 332.423 2.387 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccn(CC)n2)C1)[NH+](CC)CC ZINC001438239455 1090719414 /nfs/dbraw/zinc/71/94/14/1090719414.db2.gz PKDPIBUDIFBXKT-QZTJIDSGSA-N 2 2 349.523 2.056 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccn(CC)n2)C1)[NH+](CC)CC ZINC001438239455 1090719416 /nfs/dbraw/zinc/71/94/16/1090719416.db2.gz PKDPIBUDIFBXKT-QZTJIDSGSA-N 2 2 349.523 2.056 10 0 EEAELP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C)nc1C ZINC001438296351 1090777519 /nfs/dbraw/zinc/77/75/19/1090777519.db2.gz CUCKPYWYUGJOGN-INIZCTEOSA-N 2 2 329.448 2.039 10 0 EEAELP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C)nc1C ZINC001438296351 1090777521 /nfs/dbraw/zinc/77/75/21/1090777521.db2.gz CUCKPYWYUGJOGN-INIZCTEOSA-N 2 2 329.448 2.039 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)oc1C ZINC001445390995 1091135431 /nfs/dbraw/zinc/13/54/31/1091135431.db2.gz RTUSQBMCYUBDHB-CXAGYDPISA-N 2 2 348.491 2.293 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)oc1C ZINC001445390995 1091135437 /nfs/dbraw/zinc/13/54/37/1091135437.db2.gz RTUSQBMCYUBDHB-CXAGYDPISA-N 2 2 348.491 2.293 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001438662961 1091150158 /nfs/dbraw/zinc/15/01/58/1091150158.db2.gz SDZNBYNUHXWITJ-HOCLYGCPSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001438662961 1091150161 /nfs/dbraw/zinc/15/01/61/1091150161.db2.gz SDZNBYNUHXWITJ-HOCLYGCPSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001438668705 1091157840 /nfs/dbraw/zinc/15/78/40/1091157840.db2.gz LYPAHCABBURNOQ-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP CCO[C@H](C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001445563375 1091339315 /nfs/dbraw/zinc/33/93/15/1091339315.db2.gz ATQODOCRYIMXAF-YVEFUNNKSA-N 2 2 330.432 2.086 10 0 EEAELP COc1cccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001439073097 1091719589 /nfs/dbraw/zinc/71/95/89/1091719589.db2.gz MUSWYICXEWHBKO-GJZGRUSLSA-N 2 2 330.432 2.137 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)CCCn1cc[nH+]c1 ZINC001439295197 1091958056 /nfs/dbraw/zinc/95/80/56/1091958056.db2.gz XMTLQWQBQHMYKK-YJBOKZPZSA-N 2 2 326.444 2.445 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001439334369 1092027832 /nfs/dbraw/zinc/02/78/32/1092027832.db2.gz SZZFJXPZVOBBIV-IAOVAPTHSA-N 2 2 342.443 2.159 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001439334369 1092027842 /nfs/dbraw/zinc/02/78/42/1092027842.db2.gz SZZFJXPZVOBBIV-IAOVAPTHSA-N 2 2 342.443 2.159 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001439386231 1092133027 /nfs/dbraw/zinc/13/30/27/1092133027.db2.gz ZPWHNSCKYRTBGD-ZIAGYGMSSA-N 2 2 330.432 2.159 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001439386231 1092133029 /nfs/dbraw/zinc/13/30/29/1092133029.db2.gz ZPWHNSCKYRTBGD-ZIAGYGMSSA-N 2 2 330.432 2.159 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC001439545628 1092413352 /nfs/dbraw/zinc/41/33/52/1092413352.db2.gz IMTOSYDSBMSKEM-DOTOQJQBSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CC[C@@H]2CNC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001439545628 1092413357 /nfs/dbraw/zinc/41/33/57/1092413357.db2.gz IMTOSYDSBMSKEM-DOTOQJQBSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001439545628 1092413361 /nfs/dbraw/zinc/41/33/61/1092413361.db2.gz IMTOSYDSBMSKEM-DOTOQJQBSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001439545628 1092413363 /nfs/dbraw/zinc/41/33/63/1092413363.db2.gz IMTOSYDSBMSKEM-DOTOQJQBSA-N 2 2 333.451 2.166 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1[C@H]1CCc2c1cc(F)cc2F ZINC001439548074 1092418253 /nfs/dbraw/zinc/41/82/53/1092418253.db2.gz ACYWEJNXRNITCC-GUYCJALGSA-N 2 2 337.414 2.094 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCc2c1cc(F)cc2F ZINC001439548074 1092418258 /nfs/dbraw/zinc/41/82/58/1092418258.db2.gz ACYWEJNXRNITCC-GUYCJALGSA-N 2 2 337.414 2.094 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)CC2)c(C)o1 ZINC001439619777 1092528448 /nfs/dbraw/zinc/52/84/48/1092528448.db2.gz DMYGVGQRKIEYII-NVXWUHKLSA-N 2 2 346.475 2.047 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@H]4CCCC[N@H+]43)CC2)c(C)o1 ZINC001439619777 1092528460 /nfs/dbraw/zinc/52/84/60/1092528460.db2.gz DMYGVGQRKIEYII-NVXWUHKLSA-N 2 2 346.475 2.047 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(C)c(F)c1 ZINC001440242856 1093333113 /nfs/dbraw/zinc/33/31/13/1093333113.db2.gz WIBRQGQBQCFXGR-QGZVFWFLSA-N 2 2 344.434 2.372 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(C)c(F)c1 ZINC001440242856 1093333125 /nfs/dbraw/zinc/33/31/25/1093333125.db2.gz WIBRQGQBQCFXGR-QGZVFWFLSA-N 2 2 344.434 2.372 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2F)C1 ZINC001448523925 1093553797 /nfs/dbraw/zinc/55/37/97/1093553797.db2.gz QXEFOBMVDVQFAE-KOMQPUFPSA-N 2 2 344.434 2.176 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001448670474 1093738266 /nfs/dbraw/zinc/73/82/66/1093738266.db2.gz ISLFFXMLRGKYNO-RHSMWYFYSA-N 2 2 347.463 2.403 10 0 EEAELP C[N@H+](C/C=C\Cl)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001440730575 1093977598 /nfs/dbraw/zinc/97/75/98/1093977598.db2.gz ZOOHTTGOUQAVBA-HEZONKONSA-N 2 2 336.867 2.121 10 0 EEAELP C[N@@H+](C/C=C\Cl)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001440730575 1093977601 /nfs/dbraw/zinc/97/76/01/1093977601.db2.gz ZOOHTTGOUQAVBA-HEZONKONSA-N 2 2 336.867 2.121 10 0 EEAELP Cc1cnc(C[NH+](C)C[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)s1 ZINC001440749576 1093995289 /nfs/dbraw/zinc/99/52/89/1093995289.db2.gz NWPWNWTYBOUOAH-OAHLLOKOSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cnc(C[NH+](C)C[C@H]2CCCN2C(=O)C[N@H+](C)C(C)C)s1 ZINC001440749576 1093995292 /nfs/dbraw/zinc/99/52/92/1093995292.db2.gz NWPWNWTYBOUOAH-OAHLLOKOSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cnc(C[N@@H+](C)C[C@H]2CCCN2C(=O)C[NH+](C)C(C)C)s1 ZINC001440749576 1093995295 /nfs/dbraw/zinc/99/52/95/1093995295.db2.gz NWPWNWTYBOUOAH-OAHLLOKOSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cnc(C[N@H+](C)C[C@H]2CCCN2C(=O)C[NH+](C)C(C)C)s1 ZINC001440749576 1093995297 /nfs/dbraw/zinc/99/52/97/1093995297.db2.gz NWPWNWTYBOUOAH-OAHLLOKOSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1ncc(C[NH2+]CC2CC(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)s1 ZINC001440761207 1094002811 /nfs/dbraw/zinc/00/28/11/1094002811.db2.gz VDZSHXVMRZKADP-LMWSTFAQSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1ncc(C[NH2+]CC2CC(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)s1 ZINC001440761207 1094002818 /nfs/dbraw/zinc/00/28/18/1094002818.db2.gz VDZSHXVMRZKADP-LMWSTFAQSA-N 2 2 347.488 2.038 10 0 EEAELP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001441128896 1094455189 /nfs/dbraw/zinc/45/51/89/1094455189.db2.gz AGHQSSKHWKOUQE-CVEARBPZSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001442209978 1096499020 /nfs/dbraw/zinc/49/90/20/1096499020.db2.gz PFTRIYCAUQZIDL-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001442209978 1096499025 /nfs/dbraw/zinc/49/90/25/1096499025.db2.gz PFTRIYCAUQZIDL-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP CCc1cnc(C[N@@H+]2CC[C@H](N(C)C(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001443813811 1098309260 /nfs/dbraw/zinc/30/92/60/1098309260.db2.gz MGCNOVPSRFGYOO-HOTGVXAUSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[N@H+]2CC[C@H](N(C)C(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001443813811 1098309266 /nfs/dbraw/zinc/30/92/66/1098309266.db2.gz MGCNOVPSRFGYOO-HOTGVXAUSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@H](N(C)C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001443813811 1098309272 /nfs/dbraw/zinc/30/92/72/1098309272.db2.gz MGCNOVPSRFGYOO-HOTGVXAUSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@H](N(C)C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001443813811 1098309277 /nfs/dbraw/zinc/30/92/77/1098309277.db2.gz MGCNOVPSRFGYOO-HOTGVXAUSA-N 2 2 348.491 2.144 10 0 EEAELP Cc1nsc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001443816212 1098314169 /nfs/dbraw/zinc/31/41/69/1098314169.db2.gz KHINVNWSABBRHT-HNNXBMFYSA-N 2 2 347.488 2.079 10 0 EEAELP Cc1nsc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001443816212 1098314177 /nfs/dbraw/zinc/31/41/77/1098314177.db2.gz KHINVNWSABBRHT-HNNXBMFYSA-N 2 2 347.488 2.079 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001444034395 1098553668 /nfs/dbraw/zinc/55/36/68/1098553668.db2.gz NEWHHOBSRQSCCH-KGLIPLIRSA-N 2 2 328.407 2.193 10 0 EEAELP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001444083160 1098611612 /nfs/dbraw/zinc/61/16/12/1098611612.db2.gz WQAKOEFVFHXPQW-LSDHHAIUSA-N 2 2 336.455 2.212 10 0 EEAELP Cc1ccncc1C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479720530 1098811363 /nfs/dbraw/zinc/81/13/63/1098811363.db2.gz PRHXYVSYCLKCOB-NUJGCVRESA-N 2 2 341.459 2.317 10 0 EEAELP Cc1ccncc1C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479720530 1098811376 /nfs/dbraw/zinc/81/13/76/1098811376.db2.gz PRHXYVSYCLKCOB-NUJGCVRESA-N 2 2 341.459 2.317 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001479726684 1098822266 /nfs/dbraw/zinc/82/22/66/1098822266.db2.gz JFEYWWMTXMVWAF-PBHICJAKSA-N 2 2 332.492 2.368 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]cn2C)CC[N@H+]1CC1CC(C)(C)C1 ZINC001479726684 1098822276 /nfs/dbraw/zinc/82/22/76/1098822276.db2.gz JFEYWWMTXMVWAF-PBHICJAKSA-N 2 2 332.492 2.368 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1c(F)cccc1F ZINC001444332120 1098897592 /nfs/dbraw/zinc/89/75/92/1098897592.db2.gz UDJVXXMVBWRKDT-JHJVBQTASA-N 2 2 348.397 2.334 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001479777644 1098960065 /nfs/dbraw/zinc/96/00/65/1098960065.db2.gz ACNRSDMGGYBDAE-UHFFFAOYSA-N 2 2 341.415 2.420 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001479777644 1098960078 /nfs/dbraw/zinc/96/00/78/1098960078.db2.gz ACNRSDMGGYBDAE-UHFFFAOYSA-N 2 2 341.415 2.420 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC12CC[NH+](CCCOC(C)C)CC2 ZINC001479987494 1099448340 /nfs/dbraw/zinc/44/83/40/1099448340.db2.gz ZNJCIRLATSAKDG-QGZVFWFLSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1ncccc1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001444687013 1099536006 /nfs/dbraw/zinc/53/60/06/1099536006.db2.gz NKPLBMRCXDDRAE-LSDHHAIUSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)o1 ZINC001444806626 1099727600 /nfs/dbraw/zinc/72/76/00/1099727600.db2.gz NCCFKLKNYAWFMO-HOTGVXAUSA-N 2 2 345.447 2.302 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001480264542 1099951880 /nfs/dbraw/zinc/95/18/80/1099951880.db2.gz FFEZDUMCWVRMQE-YJBOKZPZSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001480264542 1099951891 /nfs/dbraw/zinc/95/18/91/1099951891.db2.gz FFEZDUMCWVRMQE-YJBOKZPZSA-N 2 2 338.455 2.468 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccccc1 ZINC001444901770 1099959700 /nfs/dbraw/zinc/95/97/00/1099959700.db2.gz YVCUDOZWYCZEFN-QZTJIDSGSA-N 2 2 340.471 2.376 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)sn1 ZINC001445111561 1100351532 /nfs/dbraw/zinc/35/15/32/1100351532.db2.gz HXHQEXRGDHBNJD-CJNGLKHVSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)sn1 ZINC001445111561 1100351537 /nfs/dbraw/zinc/35/15/37/1100351537.db2.gz HXHQEXRGDHBNJD-CJNGLKHVSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001445114825 1100357772 /nfs/dbraw/zinc/35/77/72/1100357772.db2.gz OMFHEQWNKFAYMV-HZPDHXFCSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001480547163 1100380639 /nfs/dbraw/zinc/38/06/39/1100380639.db2.gz XGYVJYCALHUUEC-STQMWFEESA-N 2 2 336.386 2.407 10 0 EEAELP C[C@H](CC(=O)NC1(C[NH2+]CC[C@H]2CCOC2)CCCC1)n1cc[nH+]c1 ZINC001495190509 1100869577 /nfs/dbraw/zinc/86/95/77/1100869577.db2.gz AMJYNZKBEFTUHU-SJORKVTESA-N 2 2 348.491 2.279 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC001496325109 1100919622 /nfs/dbraw/zinc/91/96/22/1100919622.db2.gz RKPJIGMAQCIUEF-ZWKOTPCHSA-N 2 2 348.491 2.176 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@]2(NC(=O)C[NH+]3CCCC3)CCCC[C@@H]2C)o1 ZINC001495334998 1101043965 /nfs/dbraw/zinc/04/39/65/1101043965.db2.gz XJHLCATXBSOMEU-KXBFYZLASA-N 2 2 348.491 2.234 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC(CC[NH2+]Cc2ccccn2)CC1 ZINC001495415946 1101135417 /nfs/dbraw/zinc/13/54/17/1101135417.db2.gz OPCJHXKMBNDIMT-UHFFFAOYSA-N 2 2 341.459 2.156 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC(CC[NH2+]Cc2ccccn2)CC1 ZINC001495415946 1101135419 /nfs/dbraw/zinc/13/54/19/1101135419.db2.gz OPCJHXKMBNDIMT-UHFFFAOYSA-N 2 2 341.459 2.156 10 0 EEAELP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC001496898224 1101686366 /nfs/dbraw/zinc/68/63/66/1101686366.db2.gz IVZWEHJPNGTMSG-WBVHZDCISA-N 2 2 330.407 2.330 10 0 EEAELP C[C@@H](F)CC[N@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001447082989 1101955172 /nfs/dbraw/zinc/95/51/72/1101955172.db2.gz PCEUVIXDUPXCBC-OAHLLOKOSA-N 2 2 332.423 2.379 10 0 EEAELP C[C@@H](F)CC[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001447082989 1101955191 /nfs/dbraw/zinc/95/51/91/1101955191.db2.gz PCEUVIXDUPXCBC-OAHLLOKOSA-N 2 2 332.423 2.379 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001497287074 1102256290 /nfs/dbraw/zinc/25/62/90/1102256290.db2.gz TYIYELDZFYVQEN-RYUDHWBXSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001497287074 1102256293 /nfs/dbraw/zinc/25/62/93/1102256293.db2.gz TYIYELDZFYVQEN-RYUDHWBXSA-N 2 2 335.477 2.038 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001497466406 1102534130 /nfs/dbraw/zinc/53/41/30/1102534130.db2.gz SXONDKCEVCVWLE-AWEZNQCLSA-N 2 2 332.423 2.366 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001497466406 1102534135 /nfs/dbraw/zinc/53/41/35/1102534135.db2.gz SXONDKCEVCVWLE-AWEZNQCLSA-N 2 2 332.423 2.366 10 0 EEAELP CCC1([NH2+]Cc2ccns2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001447423836 1102626892 /nfs/dbraw/zinc/62/68/92/1102626892.db2.gz LMOOLJRFKSKYIL-UHFFFAOYSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]Cc2cc(C3CC3)no2)c[nH+]1 ZINC001497834411 1103166181 /nfs/dbraw/zinc/16/61/81/1103166181.db2.gz BTRQSDROYDKRJP-GFCCVEGCSA-N 2 2 345.447 2.087 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1ccc(F)cc1)C(=O)Cn1cc[nH+]c1 ZINC001447985013 1103738929 /nfs/dbraw/zinc/73/89/29/1103738929.db2.gz BAFOEAPEZZDBAJ-UHFFFAOYSA-N 2 2 332.423 2.297 10 0 EEAELP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@H+](C)CCC(F)(F)F ZINC001448030228 1103833909 /nfs/dbraw/zinc/83/39/09/1103833909.db2.gz CQHORDJTDXSNAJ-LBPRGKRZSA-N 2 2 346.397 2.151 10 0 EEAELP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@@H+](C)CCC(F)(F)F ZINC001448030228 1103833929 /nfs/dbraw/zinc/83/39/29/1103833929.db2.gz CQHORDJTDXSNAJ-LBPRGKRZSA-N 2 2 346.397 2.151 10 0 EEAELP CC(C)CCOCC[NH+]1CC(CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001494566453 1104154917 /nfs/dbraw/zinc/15/49/17/1104154917.db2.gz IOFVMCNCSSBKFG-UHFFFAOYSA-N 2 2 344.459 2.287 10 0 EEAELP Cc1ncccc1C[NH+]1CC([C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001448339451 1104425064 /nfs/dbraw/zinc/42/50/64/1104425064.db2.gz KBRFVUWKNOFCHW-GOEBONIOSA-N 2 2 341.459 2.174 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001494853616 1104458361 /nfs/dbraw/zinc/45/83/61/1104458361.db2.gz GFWNYPVDOUJDLG-GVDBMIGSSA-N 2 2 332.492 2.493 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001494853616 1104458362 /nfs/dbraw/zinc/45/83/62/1104458362.db2.gz GFWNYPVDOUJDLG-GVDBMIGSSA-N 2 2 332.492 2.493 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001494874115 1104484028 /nfs/dbraw/zinc/48/40/28/1104484028.db2.gz DQTJCNWNDDMRTK-INIZCTEOSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001494874115 1104484031 /nfs/dbraw/zinc/48/40/31/1104484031.db2.gz DQTJCNWNDDMRTK-INIZCTEOSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001494874115 1104484033 /nfs/dbraw/zinc/48/40/33/1104484033.db2.gz DQTJCNWNDDMRTK-INIZCTEOSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001494874115 1104484037 /nfs/dbraw/zinc/48/40/37/1104484037.db2.gz DQTJCNWNDDMRTK-INIZCTEOSA-N 2 2 339.430 2.338 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498062926 1106865967 /nfs/dbraw/zinc/86/59/67/1106865967.db2.gz TYYPTGKENQYRCQ-LSDHHAIUSA-N 2 2 344.434 2.188 10 0 EEAELP COCCCC[N@H+](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498281460 1107208392 /nfs/dbraw/zinc/20/83/92/1107208392.db2.gz CVACYXFTZAIMEZ-AWEZNQCLSA-N 2 2 332.448 2.119 10 0 EEAELP COCCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001498281460 1107208402 /nfs/dbraw/zinc/20/84/02/1107208402.db2.gz CVACYXFTZAIMEZ-AWEZNQCLSA-N 2 2 332.448 2.119 10 0 EEAELP Cc1ncc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)o1 ZINC001498314921 1107275809 /nfs/dbraw/zinc/27/58/09/1107275809.db2.gz XZXJRJSHEPJGRO-KDOFPFPSSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)o1 ZINC001498314921 1107275817 /nfs/dbraw/zinc/27/58/17/1107275817.db2.gz XZXJRJSHEPJGRO-KDOFPFPSSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001498314921 1107275828 /nfs/dbraw/zinc/27/58/28/1107275828.db2.gz XZXJRJSHEPJGRO-KDOFPFPSSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001498314921 1107275837 /nfs/dbraw/zinc/27/58/37/1107275837.db2.gz XZXJRJSHEPJGRO-KDOFPFPSSA-N 2 2 348.491 2.327 10 0 EEAELP C[C@@H](C[N@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)Cn1cc[nH+]c1 ZINC001498466371 1107586429 /nfs/dbraw/zinc/58/64/29/1107586429.db2.gz TYGDAJXOQMXSGJ-SUMWQHHRSA-N 2 2 330.407 2.146 10 0 EEAELP C[C@@H](C[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)NC(=O)Cn1cc[nH+]c1 ZINC001498466371 1107586439 /nfs/dbraw/zinc/58/64/39/1107586439.db2.gz TYGDAJXOQMXSGJ-SUMWQHHRSA-N 2 2 330.407 2.146 10 0 EEAELP CC(C)c1cnc(C[N@@H+]2CCC[C@H]2CNC(=O)C[C@H]2CC[NH+](C)C2)o1 ZINC001493150130 1107598370 /nfs/dbraw/zinc/59/83/70/1107598370.db2.gz BBJBGIRFSUJXKJ-CVEARBPZSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[N@H+]2CCC[C@H]2CNC(=O)C[C@H]2CC[NH+](C)C2)o1 ZINC001493150130 1107598379 /nfs/dbraw/zinc/59/83/79/1107598379.db2.gz BBJBGIRFSUJXKJ-CVEARBPZSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+]2CCC[C@H]2CNC(=O)C[C@H]2CC[N@H+](C)C2)o1 ZINC001493150130 1107598400 /nfs/dbraw/zinc/59/84/00/1107598400.db2.gz BBJBGIRFSUJXKJ-CVEARBPZSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+]2CCC[C@H]2CNC(=O)C[C@H]2CC[N@@H+](C)C2)o1 ZINC001493150130 1107598413 /nfs/dbraw/zinc/59/84/13/1107598413.db2.gz BBJBGIRFSUJXKJ-CVEARBPZSA-N 2 2 348.491 2.220 10 0 EEAELP C[C@@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1)c1ccc(F)cc1F ZINC001498874049 1108259568 /nfs/dbraw/zinc/25/95/68/1108259568.db2.gz LPAPRXFPHKISLX-PXAZEXFGSA-N 2 2 348.397 2.407 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001479270349 1110673031 /nfs/dbraw/zinc/67/30/31/1110673031.db2.gz GFOJMGIFGBORBM-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001479270349 1110673033 /nfs/dbraw/zinc/67/30/33/1110673033.db2.gz GFOJMGIFGBORBM-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP O=C(NC[C@H]1C[C@@H]([NH2+]CCOCC2CC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001479303518 1110678497 /nfs/dbraw/zinc/67/84/97/1110678497.db2.gz ZPMAWODMDIXRNR-FZNQNYSPSA-N 2 2 342.443 2.088 10 0 EEAELP CCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH]c[nH+]1 ZINC001499491763 1112320097 /nfs/dbraw/zinc/32/00/97/1112320097.db2.gz ATPXCBUIKCLQCW-AYHJJNSGSA-N 2 2 348.491 2.271 10 0 EEAELP CCOCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCc1c[nH+]c[nH]1 ZINC001499491763 1112320101 /nfs/dbraw/zinc/32/01/01/1112320101.db2.gz ATPXCBUIKCLQCW-AYHJJNSGSA-N 2 2 348.491 2.271 10 0 EEAELP CC(C)COCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001499985515 1112566441 /nfs/dbraw/zinc/56/64/41/1112566441.db2.gz VLRHUBAVMKCMJD-HZPDHXFCSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)COCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001499985515 1112566444 /nfs/dbraw/zinc/56/64/44/1112566444.db2.gz VLRHUBAVMKCMJD-HZPDHXFCSA-N 2 2 348.491 2.157 10 0 EEAELP CCc1cnc(C[N@@H+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001500226306 1112688157 /nfs/dbraw/zinc/68/81/57/1112688157.db2.gz AWHKIRQUTYTNFV-HNAYVOBHSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[N@H+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001500226306 1112688159 /nfs/dbraw/zinc/68/81/59/1112688159.db2.gz AWHKIRQUTYTNFV-HNAYVOBHSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001500226306 1112688161 /nfs/dbraw/zinc/68/81/61/1112688161.db2.gz AWHKIRQUTYTNFV-HNAYVOBHSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001500226306 1112688162 /nfs/dbraw/zinc/68/81/62/1112688162.db2.gz AWHKIRQUTYTNFV-HNAYVOBHSA-N 2 2 348.491 2.192 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccon1)[NH+](CC)CC ZINC001501399319 1113343508 /nfs/dbraw/zinc/34/35/08/1113343508.db2.gz FMZAUYPDWJVDDK-KURKYZTESA-N 2 2 348.491 2.360 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccon1)[NH+](CC)CC ZINC001501399319 1113343510 /nfs/dbraw/zinc/34/35/10/1113343510.db2.gz FMZAUYPDWJVDDK-KURKYZTESA-N 2 2 348.491 2.360 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1cncs1)C(=O)CCc1[nH+]ccn1C ZINC001505824027 1114215952 /nfs/dbraw/zinc/21/59/52/1114215952.db2.gz FFGIJKMXQLKUJO-UHFFFAOYSA-N 2 2 349.504 2.084 10 0 EEAELP Cc1ncc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001506946801 1114995216 /nfs/dbraw/zinc/99/52/16/1114995216.db2.gz RSQNSLPAONMZSA-LLVKDONJSA-N 2 2 335.477 2.100 10 0 EEAELP 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ZINC001567913764 1124174920 /nfs/dbraw/zinc/17/49/20/1124174920.db2.gz IQJBGWWNPFYCLM-XLYSIVADSA-N 2 2 330.476 2.335 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC001568346579 1124429782 /nfs/dbraw/zinc/42/97/82/1124429782.db2.gz KGMLTABNPISUGO-DLBZAZTESA-N 2 2 348.491 2.176 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)c2cccc3[nH+]ccn32)o1 ZINC001568656389 1124670702 /nfs/dbraw/zinc/67/07/02/1124670702.db2.gz GCAOHMYOCVUJOO-LBPRGKRZSA-N 2 2 341.415 2.237 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC001568876285 1124902283 /nfs/dbraw/zinc/90/22/83/1124902283.db2.gz SAESIYUGKBFXNU-RXYHWBRQSA-N 2 2 344.484 2.278 10 0 EEAELP Cc1cc(C)c(C[NH2+]C/C=C\CNC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001568972748 1125010454 /nfs/dbraw/zinc/01/04/54/1125010454.db2.gz BWGYHLQNFLLTMF-PLNGDYQASA-N 2 2 326.444 2.271 10 0 EEAELP C[C@H](C[N@H+](C)CCOCC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569125041 1125113227 /nfs/dbraw/zinc/11/32/27/1125113227.db2.gz QHTBMGFBGKRCQB-CYBMUJFWSA-N 2 2 330.432 2.040 10 0 EEAELP C[C@H](C[N@@H+](C)CCOCC1CC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569125041 1125113231 /nfs/dbraw/zinc/11/32/31/1125113231.db2.gz QHTBMGFBGKRCQB-CYBMUJFWSA-N 2 2 330.432 2.040 10 0 EEAELP CC[NH+]1CCN(Cc2c(-c3cccnc3)[nH+]c3ccc(N)cn32)CC1 ZINC000036272092 213080422 /nfs/dbraw/zinc/08/04/22/213080422.db2.gz GTFIEMSPMGDHHA-UHFFFAOYSA-N 2 2 336.443 2.116 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c(N2CCOCC2)c1 ZINC000422867959 240266994 /nfs/dbraw/zinc/26/69/94/240266994.db2.gz TZXXBCIYVHBJDY-OAHLLOKOSA-N 2 2 326.444 2.490 10 0 EEAELP C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000438284959 242001754 /nfs/dbraw/zinc/00/17/54/242001754.db2.gz QWBLTZVWDKWYCP-AWEZNQCLSA-N 2 2 334.489 2.211 10 0 EEAELP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000438284959 242001759 /nfs/dbraw/zinc/00/17/59/242001759.db2.gz QWBLTZVWDKWYCP-AWEZNQCLSA-N 2 2 334.489 2.211 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459395802 245103023 /nfs/dbraw/zinc/10/30/23/245103023.db2.gz BPXXVPWGFSSTSR-IEBWSBKVSA-N 2 2 347.503 2.112 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459395802 245103027 /nfs/dbraw/zinc/10/30/27/245103027.db2.gz BPXXVPWGFSSTSR-IEBWSBKVSA-N 2 2 347.503 2.112 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)nc[nH+]1 ZINC000183898050 533050956 /nfs/dbraw/zinc/05/09/56/533050956.db2.gz VDCNXJYWGVDCRT-UONOGXRCSA-N 2 2 349.479 2.197 10 0 EEAELP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000328623660 258035034 /nfs/dbraw/zinc/03/50/34/258035034.db2.gz CBBDURUFESYXDZ-NUJGCVRESA-N 2 2 348.491 2.411 10 0 EEAELP [NH3+]Cc1cc(Br)cnc1N1CCN(c2cccc[nH+]2)CC1 ZINC000051396352 132181422 /nfs/dbraw/zinc/18/14/22/132181422.db2.gz JESATVXXLZTYPH-UHFFFAOYSA-N 2 2 348.248 2.024 10 0 EEAELP CC[NH+](CC)CCC[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000191785410 152273458 /nfs/dbraw/zinc/27/34/58/152273458.db2.gz UDEAVOHNOSPBDI-UHFFFAOYSA-N 2 2 335.496 2.187 10 0 EEAELP CC[NH+](CC)CCC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000191785410 152273463 /nfs/dbraw/zinc/27/34/63/152273463.db2.gz UDEAVOHNOSPBDI-UHFFFAOYSA-N 2 2 335.496 2.187 10 0 EEAELP Cc1ccc(CC[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1 ZINC000352225332 153013048 /nfs/dbraw/zinc/01/30/48/153013048.db2.gz AVHBGOPGNQQWAY-UHFFFAOYSA-N 2 2 325.460 2.216 10 0 EEAELP C[N@H+](CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000129638035 292361242 /nfs/dbraw/zinc/36/12/42/292361242.db2.gz KZOVFXRPLIUTRI-MRXNPFEDSA-N 2 2 345.491 2.224 10 0 EEAELP C[N@@H+](CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)C1CCCCC1 ZINC000129638035 292361243 /nfs/dbraw/zinc/36/12/43/292361243.db2.gz KZOVFXRPLIUTRI-MRXNPFEDSA-N 2 2 345.491 2.224 10 0 EEAELP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000262355999 160452247 /nfs/dbraw/zinc/45/22/47/160452247.db2.gz HKWRWGRLMCNVNI-SNRMKQJTSA-N 2 2 338.455 2.468 10 0 EEAELP 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ZINC000173527248 464277691 /nfs/dbraw/zinc/27/76/91/464277691.db2.gz RRFDKFLYRGCRGL-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000173527248 464277694 /nfs/dbraw/zinc/27/76/94/464277694.db2.gz RRFDKFLYRGCRGL-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000173527248 464277701 /nfs/dbraw/zinc/27/77/01/464277701.db2.gz RRFDKFLYRGCRGL-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000173527248 464277707 /nfs/dbraw/zinc/27/77/07/464277707.db2.gz RRFDKFLYRGCRGL-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180648052 464358717 /nfs/dbraw/zinc/35/87/17/464358717.db2.gz AEOUDRPOUQWIBR-CYBMUJFWSA-N 2 2 343.431 2.147 10 0 EEAELP C[C@@H]1CC[C@H](C)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000176382064 464761089 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COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000344615337 465723734 /nfs/dbraw/zinc/72/37/34/465723734.db2.gz FWFDFIYXRBWVLQ-BXUZGUMPSA-N 2 2 325.840 2.217 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000353505012 465939170 /nfs/dbraw/zinc/93/91/70/465939170.db2.gz UFHPQHXCGNRLQM-HOTGVXAUSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000353505012 465939177 /nfs/dbraw/zinc/93/91/77/465939177.db2.gz UFHPQHXCGNRLQM-HOTGVXAUSA-N 2 2 329.448 2.029 10 0 EEAELP CC(C)(C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1c[nH]c[nH+]1 ZINC000548739443 468463924 /nfs/dbraw/zinc/46/39/24/468463924.db2.gz FFOUXJVXWBHEJQ-UHFFFAOYSA-N 2 2 342.443 2.201 10 0 EEAELP C[N@H+](CCNC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000338292867 465990185 /nfs/dbraw/zinc/99/01/85/465990185.db2.gz VIFUVVOHLZEFSA-UHFFFAOYSA-N 2 2 347.507 2.326 10 0 EEAELP C[N@@H+](CCNC(=O)NCCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000338292867 465990188 /nfs/dbraw/zinc/99/01/88/465990188.db2.gz VIFUVVOHLZEFSA-UHFFFAOYSA-N 2 2 347.507 2.326 10 0 EEAELP Cc1cc(NC(=O)Cn2cc[nH+]c2)ccc1OCC[NH+]1CCCC1 ZINC000555224449 468464880 /nfs/dbraw/zinc/46/48/80/468464880.db2.gz LBFYGJPBHJIEHG-UHFFFAOYSA-N 2 2 328.416 2.305 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000340334329 466000014 /nfs/dbraw/zinc/00/00/14/466000014.db2.gz RNJSXJGZPCVCMH-MSOLQXFVSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000340334329 466000024 /nfs/dbraw/zinc/00/00/24/466000024.db2.gz RNJSXJGZPCVCMH-MSOLQXFVSA-N 2 2 345.487 2.003 10 0 EEAELP Brc1ccc2[nH+]ccc(NC[C@H]3C[NH+]4CCN3CC4)c2c1 ZINC000301809651 466036435 /nfs/dbraw/zinc/03/64/35/466036435.db2.gz ZOGAAKPBMSGCPX-ZDUSSCGKSA-N 2 2 347.260 2.409 10 0 EEAELP Brc1ccc2[nH+]ccc(NC[C@H]3CN4CC[NH+]3CC4)c2c1 ZINC000301809651 466036439 /nfs/dbraw/zinc/03/64/39/466036439.db2.gz ZOGAAKPBMSGCPX-ZDUSSCGKSA-N 2 2 347.260 2.409 10 0 EEAELP 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ZINC000591522208 468479672 /nfs/dbraw/zinc/47/96/72/468479672.db2.gz BAILKMINMSFDFY-QAPCUYQASA-N 2 2 346.475 2.296 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000350181988 466417813 /nfs/dbraw/zinc/41/78/13/466417813.db2.gz VOOCMFIEPYSYQO-HNNXBMFYSA-N 2 2 334.420 2.262 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000350181988 466417819 /nfs/dbraw/zinc/41/78/19/466417819.db2.gz VOOCMFIEPYSYQO-HNNXBMFYSA-N 2 2 334.420 2.262 10 0 EEAELP CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000358087618 466443038 /nfs/dbraw/zinc/44/30/38/466443038.db2.gz OYPILLZHDOYRTR-BEFAXECRSA-N 2 2 345.487 2.230 10 0 EEAELP CCOc1ccc(C(=O)N2CCC([NH2+][C@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000358087618 466443043 /nfs/dbraw/zinc/44/30/43/466443043.db2.gz OYPILLZHDOYRTR-BEFAXECRSA-N 2 2 345.487 2.230 10 0 EEAELP CN(C)c1nc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000354295429 466451288 /nfs/dbraw/zinc/45/12/88/466451288.db2.gz IQZGNCPHQHOTNH-QGZVFWFLSA-N 2 2 325.460 3.009 10 0 EEAELP CN(C)c1nc(NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000354295429 466451295 /nfs/dbraw/zinc/45/12/95/466451295.db2.gz IQZGNCPHQHOTNH-QGZVFWFLSA-N 2 2 325.460 3.009 10 0 EEAELP COCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309895822 466505305 /nfs/dbraw/zinc/50/53/05/466505305.db2.gz DLINPSOQIORQGK-HZPDHXFCSA-N 2 2 343.512 2.190 10 0 EEAELP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309895822 466505310 /nfs/dbraw/zinc/50/53/10/466505310.db2.gz DLINPSOQIORQGK-HZPDHXFCSA-N 2 2 343.512 2.190 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000310828145 466518537 /nfs/dbraw/zinc/51/85/37/466518537.db2.gz YHMNLSUBDPJQOW-POAQFYNOSA-N 2 2 344.455 2.410 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000310828145 466518541 /nfs/dbraw/zinc/51/85/41/466518541.db2.gz YHMNLSUBDPJQOW-POAQFYNOSA-N 2 2 344.455 2.410 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000358181252 466519666 /nfs/dbraw/zinc/51/96/66/466519666.db2.gz CLJLVQDWYUEDFV-UHFFFAOYSA-N 2 2 348.516 2.227 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000358181252 466519677 /nfs/dbraw/zinc/51/96/77/466519677.db2.gz CLJLVQDWYUEDFV-UHFFFAOYSA-N 2 2 348.516 2.227 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000321118917 466618148 /nfs/dbraw/zinc/61/81/48/466618148.db2.gz CFDUIXLVJUQAAC-HOCLYGCPSA-N 2 2 333.501 2.097 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000321118917 466618155 /nfs/dbraw/zinc/61/81/55/466618155.db2.gz CFDUIXLVJUQAAC-HOCLYGCPSA-N 2 2 333.501 2.097 10 0 EEAELP COc1cc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc(OC)c1 ZINC000369345353 466726684 /nfs/dbraw/zinc/72/66/84/466726684.db2.gz RSEBEBIXCUKUGU-UHFFFAOYSA-N 2 2 344.415 2.245 10 0 EEAELP O=C(NCCC[C@H]1CCC[NH2+]1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417067845 466770241 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EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3coc(C(F)F)c3)C2)CC1 ZINC000625523036 470160226 /nfs/dbraw/zinc/16/02/26/470160226.db2.gz VKKPWFZMVYVTBA-GFCCVEGCSA-N 2 2 327.375 2.116 10 0 EEAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844558 470187283 /nfs/dbraw/zinc/18/72/83/470187283.db2.gz YATBIEWMLOFART-RYUDHWBXSA-N 2 2 340.265 2.223 10 0 EEAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631844558 470187284 /nfs/dbraw/zinc/18/72/84/470187284.db2.gz YATBIEWMLOFART-RYUDHWBXSA-N 2 2 340.265 2.223 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC000631886532 470189540 /nfs/dbraw/zinc/18/95/40/470189540.db2.gz JZODONARWIIGKC-IUODEOHRSA-N 2 2 337.851 2.361 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC000631886532 470189541 /nfs/dbraw/zinc/18/95/41/470189541.db2.gz JZODONARWIIGKC-IUODEOHRSA-N 2 2 337.851 2.361 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N[C@H]1CCCc2ccccc21 ZINC000631888122 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WLWAVAIRIAYCMI-WBMJQRKESA-N 2 2 337.414 2.043 10 0 EEAELP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1N ZINC000646094726 470524558 /nfs/dbraw/zinc/52/45/58/470524558.db2.gz NTIDBBWWILIFQY-UHFFFAOYSA-N 2 2 344.503 2.257 10 0 EEAELP CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000633617404 470532618 /nfs/dbraw/zinc/53/26/18/470532618.db2.gz GLKKJKOGIKOZHD-SFHVURJKSA-N 2 2 326.444 2.358 10 0 EEAELP CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](CC)C1 ZINC000633617404 470532622 /nfs/dbraw/zinc/53/26/22/470532622.db2.gz GLKKJKOGIKOZHD-SFHVURJKSA-N 2 2 326.444 2.358 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000649624600 470646819 /nfs/dbraw/zinc/64/68/19/470646819.db2.gz PTDOKOHGTBXJPG-UHFFFAOYSA-N 2 2 333.476 2.195 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899714 471010317 /nfs/dbraw/zinc/01/03/17/471010317.db2.gz SXOOLFXAIIMSEE-SJLPKXTDSA-N 2 2 345.487 2.118 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899714 471010319 /nfs/dbraw/zinc/01/03/19/471010319.db2.gz SXOOLFXAIIMSEE-SJLPKXTDSA-N 2 2 345.487 2.118 10 0 EEAELP C[NH+](C)Cc1cccc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000651057555 471036279 /nfs/dbraw/zinc/03/62/79/471036279.db2.gz LIZMXYDMOQBIDW-UHFFFAOYSA-N 2 2 326.444 2.140 10 0 EEAELP CC(C)Cn1nccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000648006915 471046709 /nfs/dbraw/zinc/04/67/09/471046709.db2.gz HGJJZIKTFMFALN-SFHVURJKSA-N 2 2 333.524 2.141 10 0 EEAELP CC(C)Cn1nccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000648006915 471046713 /nfs/dbraw/zinc/04/67/13/471046713.db2.gz HGJJZIKTFMFALN-SFHVURJKSA-N 2 2 333.524 2.141 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000654581333 471082027 /nfs/dbraw/zinc/08/20/27/471082027.db2.gz BNVHUHMJFRCNSS-OAHLLOKOSA-N 2 2 328.416 2.242 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000654581333 471082033 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10 0 EEAELP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000641215601 471246404 /nfs/dbraw/zinc/24/64/04/471246404.db2.gz BANUIZJXEGWASZ-XHSDSOJGSA-N 2 2 345.491 2.378 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000658340039 471290629 /nfs/dbraw/zinc/29/06/29/471290629.db2.gz AOHJSATZWLNDMO-RTBURBONSA-N 2 2 339.487 2.124 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000658340039 471290631 /nfs/dbraw/zinc/29/06/31/471290631.db2.gz AOHJSATZWLNDMO-RTBURBONSA-N 2 2 339.487 2.124 10 0 EEAELP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3([NH+](C)C)CC3)c2)C[C@@H](C)O1 ZINC000668951182 471324517 /nfs/dbraw/zinc/32/45/17/471324517.db2.gz ABAODDWNJSQYPV-HUUCEWRRSA-N 2 2 331.460 2.329 10 0 EEAELP C1C[C@H]([NH+]2CCC([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC2)CO1 ZINC000655735737 471461913 /nfs/dbraw/zinc/46/19/13/471461913.db2.gz XWJGKGQWIDUUAU-SJORKVTESA-N 2 2 340.533 2.274 10 0 EEAELP C[C@@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)CS(C)(=O)=O ZINC000660854898 471519877 /nfs/dbraw/zinc/51/98/77/471519877.db2.gz GQNKEAVEOINZHZ-AWEZNQCLSA-N 2 2 349.500 2.498 10 0 EEAELP CCC(CC)[C@@H](C(=O)NCc1ccccc1C[NH2+]C)[NH+]1CCOCC1 ZINC000653214100 471538250 /nfs/dbraw/zinc/53/82/50/471538250.db2.gz GLKXCXDRHHTMPY-IBGZPJMESA-N 2 2 347.503 2.159 10 0 EEAELP CCC(C)(C)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000669541347 471543191 /nfs/dbraw/zinc/54/31/91/471543191.db2.gz SPHIKTITIHITTH-KRWDZBQOSA-N 2 2 332.492 2.159 10 0 EEAELP CCC(C)(C)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1 ZINC000669541347 471543196 /nfs/dbraw/zinc/54/31/96/471543196.db2.gz SPHIKTITIHITTH-KRWDZBQOSA-N 2 2 332.492 2.159 10 0 EEAELP CCn1c2ccccc2nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1=O ZINC000664194776 471671460 /nfs/dbraw/zinc/67/14/60/471671460.db2.gz HMMTXJPBBLJNNO-HNNXBMFYSA-N 2 2 345.491 2.100 10 0 EEAELP CCn1c2ccccc2nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000664194776 471671465 /nfs/dbraw/zinc/67/14/65/471671465.db2.gz HMMTXJPBBLJNNO-HNNXBMFYSA-N 2 2 345.491 2.100 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000653679889 471710648 /nfs/dbraw/zinc/71/06/48/471710648.db2.gz ZOSKMKAOTLULDJ-UXHICEINSA-N 2 2 325.456 2.364 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2ccncc2)C1 ZINC000653679889 471710654 /nfs/dbraw/zinc/71/06/54/471710654.db2.gz ZOSKMKAOTLULDJ-UXHICEINSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000653679889 471710656 /nfs/dbraw/zinc/71/06/56/471710656.db2.gz ZOSKMKAOTLULDJ-UXHICEINSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000653679889 471710665 /nfs/dbraw/zinc/71/06/65/471710665.db2.gz ZOSKMKAOTLULDJ-UXHICEINSA-N 2 2 325.456 2.364 10 0 EEAELP OC(CNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1)(C1CC1)C1CC1 ZINC000656473376 471727062 /nfs/dbraw/zinc/72/70/62/471727062.db2.gz MEZYNHHQYYTOQU-UHFFFAOYSA-N 2 2 336.399 2.174 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000656701974 471811911 /nfs/dbraw/zinc/81/19/11/471811911.db2.gz HIGULGOCBFEMLJ-HUUCEWRRSA-N 2 2 331.460 2.370 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000656701974 471811915 /nfs/dbraw/zinc/81/19/15/471811915.db2.gz HIGULGOCBFEMLJ-HUUCEWRRSA-N 2 2 331.460 2.370 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654064462 471826536 /nfs/dbraw/zinc/82/65/36/471826536.db2.gz XYWJKZRFEJGPKO-TXEJJXNPSA-N 2 2 336.386 2.079 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cccc(C(N)=O)c2)cc1 ZINC000656790217 471840943 /nfs/dbraw/zinc/84/09/43/471840943.db2.gz SEAQSDBHCMIEBJ-OALUTQOASA-N 2 2 339.439 2.029 10 0 EEAELP c1cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667683468 471865963 /nfs/dbraw/zinc/86/59/63/471865963.db2.gz QRPNYFZWGBFQJS-SFHVURJKSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000661824252 471895383 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[NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)n1 ZINC000665291770 471991921 /nfs/dbraw/zinc/99/19/21/471991921.db2.gz KZTMXGBHMYTESO-ZDUSSCGKSA-N 2 2 334.807 2.298 10 0 EEAELP O[C@H]([C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668068747 471996191 /nfs/dbraw/zinc/99/61/91/471996191.db2.gz VZEOQJBTKIZJRL-IUODEOHRSA-N 2 2 340.349 2.403 10 0 EEAELP O[C@H]([C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668068747 471996198 /nfs/dbraw/zinc/99/61/98/471996198.db2.gz VZEOQJBTKIZJRL-IUODEOHRSA-N 2 2 340.349 2.403 10 0 EEAELP O=C(C[N@H+](CCC1CC1)CC1CC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000662178397 472021615 /nfs/dbraw/zinc/02/16/15/472021615.db2.gz DAAPSOFQMZRBQG-UHFFFAOYSA-N 2 2 345.487 2.436 10 0 EEAELP COc1ccc(Br)cc1C1([NH2+]C[C@H]2C[NH2+]CCO2)CC1 ZINC000662284503 472056214 /nfs/dbraw/zinc/05/62/14/472056214.db2.gz VZOKUVRHGYSMEQ-GFCCVEGCSA-N 2 2 341.249 2.025 10 0 EEAELP CCN1CC[C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662282691 472056694 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VRDBMIKBXNLGKX-ZACQAIPSSA-N 2 2 330.476 2.311 10 0 EEAELP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001266489905 1176627891 /nfs/dbraw/zinc/62/78/91/1176627891.db2.gz VRDBMIKBXNLGKX-ZACQAIPSSA-N 2 2 330.476 2.311 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691048600 1177320085 /nfs/dbraw/zinc/32/00/85/1177320085.db2.gz UUZNDVQWFPCCRN-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691048600 1177320090 /nfs/dbraw/zinc/32/00/90/1177320090.db2.gz UUZNDVQWFPCCRN-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC001266886151 1177708507 /nfs/dbraw/zinc/70/85/07/1177708507.db2.gz KBPRWXMTHMALET-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1ccc2sc(C[NH2+][C@H](C)CNC(=O)Cn3cc[nH+]c3)nc2c1 ZINC001266997040 1178055315 /nfs/dbraw/zinc/05/53/15/1178055315.db2.gz XWSIGMRLFQINSB-CYBMUJFWSA-N 2 2 343.456 2.096 10 0 EEAELP CN(CC[NH2+]Cc1sccc1Cl)C(=O)CCc1c[nH+]cn1C ZINC001267019741 1178102152 /nfs/dbraw/zinc/10/21/52/1178102152.db2.gz GLEVKGSBHBRTCJ-UHFFFAOYSA-N 2 2 340.880 2.316 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267073279 1178192537 /nfs/dbraw/zinc/19/25/37/1178192537.db2.gz QNKZNWNZYPVYEI-KRWDZBQOSA-N 2 2 340.471 2.126 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC001267308973 1178731315 /nfs/dbraw/zinc/73/13/15/1178731315.db2.gz IFAZMEPZJPDFGM-KRWDZBQOSA-N 2 2 349.438 2.070 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC001267308973 1178731318 /nfs/dbraw/zinc/73/13/18/1178731318.db2.gz IFAZMEPZJPDFGM-KRWDZBQOSA-N 2 2 349.438 2.070 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](Cc1cccnc1C)C(C)C ZINC001267514633 1179231376 /nfs/dbraw/zinc/23/13/76/1179231376.db2.gz QPQKBFWOGRWYSJ-UHFFFAOYSA-N 2 2 343.475 2.381 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](Cc1cccnc1C)C(C)C ZINC001267514633 1179231386 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2 349.523 2.056 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001481412587 1181256261 /nfs/dbraw/zinc/25/62/61/1181256261.db2.gz ZNUQJTWPCSPWCB-GOSISDBHSA-N 2 2 349.523 2.056 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001481412587 1181256266 /nfs/dbraw/zinc/25/62/66/1181256266.db2.gz ZNUQJTWPCSPWCB-GOSISDBHSA-N 2 2 349.523 2.056 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268070658 1181668741 /nfs/dbraw/zinc/66/87/41/1181668741.db2.gz JIHJTLWVJXLEHF-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268074541 1181671482 /nfs/dbraw/zinc/67/14/82/1181671482.db2.gz AORYWJBLNCTRGH-CQSZACIVSA-N 2 2 334.489 2.093 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001268094814 1181733600 /nfs/dbraw/zinc/73/36/00/1181733600.db2.gz FDMADIWWTQDGJP-INIZCTEOSA-N 2 2 328.460 2.032 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2cccnc2)c[nH+]1 ZINC001268375138 1182386596 /nfs/dbraw/zinc/38/65/96/1182386596.db2.gz NDUHSWLEAPKBEM-AWEZNQCLSA-N 2 2 329.448 2.006 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001481745112 1182498585 /nfs/dbraw/zinc/49/85/85/1182498585.db2.gz RHFINBLYJSXDAU-INIZCTEOSA-N 2 2 345.447 2.001 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001481745112 1182498589 /nfs/dbraw/zinc/49/85/89/1182498589.db2.gz RHFINBLYJSXDAU-INIZCTEOSA-N 2 2 345.447 2.001 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1 ZINC001268404743 1182514660 /nfs/dbraw/zinc/51/46/60/1182514660.db2.gz KHRJYPKHVQZKTJ-KGLIPLIRSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1 ZINC001268404743 1182514664 /nfs/dbraw/zinc/51/46/64/1182514664.db2.gz KHRJYPKHVQZKTJ-KGLIPLIRSA-N 2 2 332.423 2.412 10 0 EEAELP CCN(CC[NH2+]Cc1ccsc1)C(=O)c1cc(C[NH+](C)C)on1 ZINC001268461698 1182759625 /nfs/dbraw/zinc/75/96/25/1182759625.db2.gz 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Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CCn3cc[nH+]c3)C2)c(C)n1 ZINC001486473154 1193986724 /nfs/dbraw/zinc/98/67/24/1193986724.db2.gz GUSWXANPMUOFRX-UHFFFAOYSA-N 2 2 341.459 2.064 10 0 EEAELP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)s1 ZINC001486478432 1193992815 /nfs/dbraw/zinc/99/28/15/1193992815.db2.gz WNHAGUOLNWSYMT-NUYPLMSZSA-N 2 2 347.488 2.132 10 0 EEAELP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)s1 ZINC001486478432 1193992819 /nfs/dbraw/zinc/99/28/19/1193992819.db2.gz WNHAGUOLNWSYMT-NUYPLMSZSA-N 2 2 347.488 2.132 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1=CC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001486520549 1194042271 /nfs/dbraw/zinc/04/22/71/1194042271.db2.gz DWJJJJCEZLSTKP-UHFFFAOYSA-N 2 2 349.425 2.309 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1=CC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001486520549 1194042275 /nfs/dbraw/zinc/04/22/75/1194042275.db2.gz DWJJJJCEZLSTKP-UHFFFAOYSA-N 2 2 349.425 2.309 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001273043126 1194347620 /nfs/dbraw/zinc/34/76/20/1194347620.db2.gz AZTXVEQGMOHHJT-HZPDHXFCSA-N 2 2 329.448 2.222 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)Cc1c[nH+]cn1C ZINC001273123180 1194406173 /nfs/dbraw/zinc/40/61/73/1194406173.db2.gz OJOIDMNNVNDPCX-CQSZACIVSA-N 2 2 339.443 2.129 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001409976897 1196102453 /nfs/dbraw/zinc/10/24/53/1196102453.db2.gz RMXRKJQAZDIWFA-CQSZACIVSA-N 2 2 344.459 2.105 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001409976897 1196102457 /nfs/dbraw/zinc/10/24/57/1196102457.db2.gz RMXRKJQAZDIWFA-CQSZACIVSA-N 2 2 344.459 2.105 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001409976545 1196113904 /nfs/dbraw/zinc/11/39/04/1196113904.db2.gz RBVJSTXNFNMAAE-KBPBESRZSA-N 2 2 330.407 2.220 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001410243540 1197628918 /nfs/dbraw/zinc/62/89/18/1197628918.db2.gz WNFLMHPFATXIDH-LSDHHAIUSA-N 2 2 336.455 2.116 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001410243540 1197628920 /nfs/dbraw/zinc/62/89/20/1197628920.db2.gz WNFLMHPFATXIDH-LSDHHAIUSA-N 2 2 336.455 2.116 10 0 EEAELP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001410291651 1197667543 /nfs/dbraw/zinc/66/75/43/1197667543.db2.gz GZTTZXWEDUHKNN-IRXDYDNUSA-N 2 2 330.476 2.072 10 0 EEAELP Cc1oncc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001410297983 1197677552 /nfs/dbraw/zinc/67/75/52/1197677552.db2.gz ASHHECQSXDVMJQ-DYVFJYSZSA-N 2 2 345.447 2.157 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001410401359 1197807986 /nfs/dbraw/zinc/80/79/86/1197807986.db2.gz VSJZYXLPUDXQAI-GOEBONIOSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001410401359 1197807993 /nfs/dbraw/zinc/80/79/93/1197807993.db2.gz VSJZYXLPUDXQAI-GOEBONIOSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(Cl)cc1 ZINC000872153996 1198059942 /nfs/dbraw/zinc/05/99/42/1198059942.db2.gz QKIBKFGEQNLCAE-BWQRHGBYSA-N 2 2 335.879 2.447 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(Cl)cc1 ZINC000872153996 1198059948 /nfs/dbraw/zinc/05/99/48/1198059948.db2.gz QKIBKFGEQNLCAE-BWQRHGBYSA-N 2 2 335.879 2.447 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000872154746 1198062151 /nfs/dbraw/zinc/06/21/51/1198062151.db2.gz XZWLDIJDRWNYPH-ZFWWWQNUSA-N 2 2 332.366 2.391 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000872154746 1198062158 /nfs/dbraw/zinc/06/21/58/1198062158.db2.gz XZWLDIJDRWNYPH-ZFWWWQNUSA-N 2 2 332.366 2.391 10 0 EEAELP CC(C)(C)OC(=O)Nc1cnc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000865532576 1198263458 /nfs/dbraw/zinc/26/34/58/1198263458.db2.gz HUWACGLBZCVNLQ-LBPRGKRZSA-N 2 2 344.419 2.125 10 0 EEAELP Cc1csc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)n1 ZINC001410930875 1198595750 /nfs/dbraw/zinc/59/57/50/1198595750.db2.gz QDPLGDRMJCGDBZ-CABCVRRESA-N 2 2 338.521 2.261 10 0 EEAELP Cc1csc(C[NH+]2CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]2C)n1 ZINC001410930875 1198595754 /nfs/dbraw/zinc/59/57/54/1198595754.db2.gz QDPLGDRMJCGDBZ-CABCVRRESA-N 2 2 338.521 2.261 10 0 EEAELP Cc1csc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)n1 ZINC001410930875 1198595759 /nfs/dbraw/zinc/59/57/59/1198595759.db2.gz QDPLGDRMJCGDBZ-CABCVRRESA-N 2 2 338.521 2.261 10 0 EEAELP CN1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000810060831 1199219376 /nfs/dbraw/zinc/21/93/76/1199219376.db2.gz ZBRHYWIEGFGRNF-OKZBNKHCSA-N 2 2 337.895 2.132 10 0 EEAELP C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000810060831 1199219381 /nfs/dbraw/zinc/21/93/81/1199219381.db2.gz ZBRHYWIEGFGRNF-OKZBNKHCSA-N 2 2 337.895 2.132 10 0 EEAELP C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000810060831 1199219383 /nfs/dbraw/zinc/21/93/83/1199219383.db2.gz ZBRHYWIEGFGRNF-OKZBNKHCSA-N 2 2 337.895 2.132 10 0 EEAELP c1ccc(-c2nnn(CCCCC[N@@H+]3CCC[C@H]4[NH2+]CC[C@H]43)n2)cc1 ZINC000866725669 1201590431 /nfs/dbraw/zinc/59/04/31/1201590431.db2.gz SGQCMXCPJYZESN-QZTJIDSGSA-N 2 2 340.475 2.337 10 0 EEAELP c1ccc(-c2nnn(CCCCC[N@H+]3CCC[C@H]4[NH2+]CC[C@H]43)n2)cc1 ZINC000866725669 1201590434 /nfs/dbraw/zinc/59/04/34/1201590434.db2.gz SGQCMXCPJYZESN-QZTJIDSGSA-N 2 2 340.475 2.337 10 0 EEAELP C[C@@H](CC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1)n1cc[nH+]c1 ZINC000882331354 1201853542 /nfs/dbraw/zinc/85/35/42/1201853542.db2.gz BVCBNVQHDYBFLD-INIZCTEOSA-N 2 2 336.480 2.184 10 0 EEAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C1 ZINC000869106434 1201941691 /nfs/dbraw/zinc/94/16/91/1201941691.db2.gz NQTDBQVXCCJHTD-FUHWJXTLSA-N 2 2 330.476 2.299 10 0 EEAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000869106434 1201941696 /nfs/dbraw/zinc/94/16/96/1201941696.db2.gz NQTDBQVXCCJHTD-FUHWJXTLSA-N 2 2 330.476 2.299 10 0 EEAELP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275100476 1205256104 /nfs/dbraw/zinc/25/61/04/1205256104.db2.gz LPOFVILTIYDWNH-MOPGFXCFSA-N 2 2 349.519 2.130 10 0 EEAELP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275100476 1205256107 /nfs/dbraw/zinc/25/61/07/1205256107.db2.gz LPOFVILTIYDWNH-MOPGFXCFSA-N 2 2 349.519 2.130 10 0 EEAELP C[NH+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275100476 1205256108 /nfs/dbraw/zinc/25/61/08/1205256108.db2.gz LPOFVILTIYDWNH-MOPGFXCFSA-N 2 2 349.519 2.130 10 0 EEAELP C[NH+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275100476 1205256110 /nfs/dbraw/zinc/25/61/10/1205256110.db2.gz LPOFVILTIYDWNH-MOPGFXCFSA-N 2 2 349.519 2.130 10 0 EEAELP CC(C)CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001275250296 1205291024 /nfs/dbraw/zinc/29/10/24/1205291024.db2.gz GSBHJGINUZUIEJ-AQFXKWCLSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001275280543 1205298034 /nfs/dbraw/zinc/29/80/34/1205298034.db2.gz OZDSUGVLIHXGRZ-WMZOPIPTSA-N 2 2 339.524 2.160 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001275280543 1205298035 /nfs/dbraw/zinc/29/80/35/1205298035.db2.gz OZDSUGVLIHXGRZ-WMZOPIPTSA-N 2 2 339.524 2.160 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001275505509 1205387960 /nfs/dbraw/zinc/38/79/60/1205387960.db2.gz XNGGWVUWIZKDIN-CVEARBPZSA-N 2 2 344.459 2.131 10 0 EEAELP CCOCC[NH2+]C1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001275624266 1205449638 /nfs/dbraw/zinc/44/96/38/1205449638.db2.gz JSKNXHIYHCTETO-KLAILNCOSA-N 2 2 336.480 2.230 10 0 EEAELP CCOCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275766523 1205518098 /nfs/dbraw/zinc/51/80/98/1205518098.db2.gz DJWBCZUFJOAFIP-HOCLYGCPSA-N 2 2 344.459 2.478 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924900515 1206048432 /nfs/dbraw/zinc/04/84/32/1206048432.db2.gz CNTKGSNTXTYLOA-DLBZAZTESA-N 2 2 337.508 2.011 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000924900515 1206048437 /nfs/dbraw/zinc/04/84/37/1206048437.db2.gz CNTKGSNTXTYLOA-DLBZAZTESA-N 2 2 337.508 2.011 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925564088 1206128798 /nfs/dbraw/zinc/12/87/98/1206128798.db2.gz QVGVRPLVDLIHPJ-KSSFIOAISA-N 2 2 343.471 2.279 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000925950674 1206173513 /nfs/dbraw/zinc/17/35/13/1206173513.db2.gz CCBGDWDCVDPPDB-ATNYBXOESA-N 2 2 346.475 2.025 10 0 EEAELP [NH3+][C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[C@@H]1C(F)(F)F ZINC000926043265 1206185320 /nfs/dbraw/zinc/18/53/20/1206185320.db2.gz UMGZBGNLEHMIMV-QWRGUYRKSA-N 2 2 327.310 2.078 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(F)c(C(F)F)c2)CC1 ZINC000926189341 1206202561 /nfs/dbraw/zinc/20/25/61/1206202561.db2.gz YUEXPPCQDCTMQO-UHFFFAOYSA-N 2 2 330.354 2.308 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)n1cc[nH+]c1 ZINC000928083229 1206336572 /nfs/dbraw/zinc/33/65/72/1206336572.db2.gz ZJWNFJXAMCIESB-ARFHVFGLSA-N 2 2 336.505 2.166 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)n1cc[nH+]c1 ZINC000928083229 1206336574 /nfs/dbraw/zinc/33/65/74/1206336574.db2.gz ZJWNFJXAMCIESB-ARFHVFGLSA-N 2 2 336.505 2.166 10 0 EEAELP C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000930033954 1206530118 /nfs/dbraw/zinc/53/01/18/1206530118.db2.gz XIESFBIMGGZAFU-OAHLLOKOSA-N 2 2 334.489 2.061 10 0 EEAELP C[N@H+]1CC[C@@H]1CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000930033954 1206530119 /nfs/dbraw/zinc/53/01/19/1206530119.db2.gz XIESFBIMGGZAFU-OAHLLOKOSA-N 2 2 334.489 2.061 10 0 EEAELP Cn1cc(CC[NH+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)nn1 ZINC000931224047 1206617381 /nfs/dbraw/zinc/61/73/81/1206617381.db2.gz HLBKDYPOSDEYSL-PMACEKPBSA-N 2 2 339.487 2.202 10 0 EEAELP CCCCCC[C@@](O)(C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)C(=O)OC ZINC000931718857 1207447847 /nfs/dbraw/zinc/44/78/47/1207447847.db2.gz GCLPORJYZKJBMO-SOLBZPMBSA-N 2 2 326.481 2.029 10 0 EEAELP CCCCCC[C@@](O)(C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)C(=O)OC ZINC000931718857 1207447850 /nfs/dbraw/zinc/44/78/50/1207447850.db2.gz GCLPORJYZKJBMO-SOLBZPMBSA-N 2 2 326.481 2.029 10 0 EEAELP CCCCCC[C@@](O)(C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2)C(=O)OC ZINC000931718857 1207447851 /nfs/dbraw/zinc/44/78/51/1207447851.db2.gz GCLPORJYZKJBMO-SOLBZPMBSA-N 2 2 326.481 2.029 10 0 EEAELP CCCCCC[C@@](O)(C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)C(=O)OC ZINC000931718857 1207447855 /nfs/dbraw/zinc/44/78/55/1207447855.db2.gz GCLPORJYZKJBMO-SOLBZPMBSA-N 2 2 326.481 2.029 10 0 EEAELP C/C(=C/C(=O)Nc1cc(C[NH+](C)C)ccc1C)C[NH+]1CCOCC1 ZINC000900954422 1235040892 /nfs/dbraw/zinc/04/08/92/1235040892.db2.gz HGCQAGAHZLBSBA-PTNGSMBKSA-N 2 2 331.460 2.274 10 0 EEAELP CC(C)(CC[NH+]1CCOCC1)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001413307316 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BIYGJFGAVSWRAZ-HIFRSBDPSA-N 2 2 332.473 2.192 10 0 EEAELP C[C@@H](CC[NH2+]CCC[C@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001699121726 1405278271 /nfs/dbraw/zinc/27/82/71/1405278271.db2.gz VFRXMOZYKDQINE-HOTGVXAUSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001699338835 1405339631 /nfs/dbraw/zinc/33/96/31/1405339631.db2.gz UMFNATJZQOPTAG-KYVUIXNKSA-N 2 2 342.418 2.349 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)sn1 ZINC001699538070 1405377075 /nfs/dbraw/zinc/37/70/75/1405377075.db2.gz PNTCSMKZGNTWPD-CQSZACIVSA-N 2 2 335.477 2.237 10 0 EEAELP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000912808858 788377528 /nfs/dbraw/zinc/37/75/28/788377528.db2.gz BDTYTOIJTFIDME-QAPCUYQASA-N 2 2 341.459 2.460 10 0 EEAELP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000714854273 795168510 /nfs/dbraw/zinc/16/85/10/795168510.db2.gz IRHXXCKNGUWWCK-QXAKKESOSA-N 2 2 325.460 2.298 10 0 EEAELP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nn1 ZINC000714854273 795168514 /nfs/dbraw/zinc/16/85/14/795168514.db2.gz IRHXXCKNGUWWCK-QXAKKESOSA-N 2 2 325.460 2.298 10 0 EEAELP C[C@@H]1[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000922650603 801582579 /nfs/dbraw/zinc/58/25/79/801582579.db2.gz QNWHVMCTWXUOPB-IUODEOHRSA-N 2 2 347.850 2.418 10 0 EEAELP C[C@@H]1[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000922650603 801582584 /nfs/dbraw/zinc/58/25/84/801582584.db2.gz QNWHVMCTWXUOPB-IUODEOHRSA-N 2 2 347.850 2.418 10 0 EEAELP Cc1c[nH+]c(C2CN(C(=O)Cn3cc[nH+]c3C)C2)n1Cc1ccccc1 ZINC000581812616 803103925 /nfs/dbraw/zinc/10/39/25/803103925.db2.gz CQSUHGNMCHKRNL-UHFFFAOYSA-N 2 2 349.438 2.371 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C[NH2+]CCCF)C1 ZINC001565968310 1125477195 /nfs/dbraw/zinc/47/71/95/1125477195.db2.gz ORASAFYGFMIOIN-PMPSAXMXSA-N 2 2 336.455 2.022 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCCC1CCC1 ZINC001566468098 1125627012 /nfs/dbraw/zinc/62/70/12/1125627012.db2.gz QGICVGQIVZWGNN-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCCC1CCC1 ZINC001566468098 1125627016 /nfs/dbraw/zinc/62/70/16/1125627016.db2.gz QGICVGQIVZWGNN-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC001566555680 1125728699 /nfs/dbraw/zinc/72/86/99/1125728699.db2.gz XVCUKKVWRVCMHB-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)Cc1ccccc1 ZINC001566555680 1125728707 /nfs/dbraw/zinc/72/87/07/1125728707.db2.gz XVCUKKVWRVCMHB-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP O=C(NCCC[N@H+](CCC1CC1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001566590750 1125780146 /nfs/dbraw/zinc/78/01/46/1125780146.db2.gz VKBYPEDASZSLIV-INIZCTEOSA-N 2 2 330.476 2.216 10 0 EEAELP O=C(NCCC[N@@H+](CCC1CC1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001566590750 1125780151 /nfs/dbraw/zinc/78/01/51/1125780151.db2.gz VKBYPEDASZSLIV-INIZCTEOSA-N 2 2 330.476 2.216 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001436992637 1088719018 /nfs/dbraw/zinc/71/90/18/1088719018.db2.gz IIELXUUDGQAUOT-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001436992637 1088719031 /nfs/dbraw/zinc/71/90/31/1088719031.db2.gz IIELXUUDGQAUOT-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001436992637 1088719034 /nfs/dbraw/zinc/71/90/34/1088719034.db2.gz IIELXUUDGQAUOT-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001436992637 1088719045 /nfs/dbraw/zinc/71/90/45/1088719045.db2.gz IIELXUUDGQAUOT-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCc1cccs1 ZINC001437378916 1089625809 /nfs/dbraw/zinc/62/58/09/1089625809.db2.gz LOVKMSLKPQFWTC-NWANDNLSSA-N 2 2 332.473 2.302 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCc1cccs1 ZINC001437378916 1089625819 /nfs/dbraw/zinc/62/58/19/1089625819.db2.gz LOVKMSLKPQFWTC-NWANDNLSSA-N 2 2 332.473 2.302 10 0 EEAELP C[C@H]1C[C@@H](C[NH2+]CC2(NC(=O)CCc3c[nH]c[nH+]3)CCCC2)CCO1 ZINC001438387408 1090872376 /nfs/dbraw/zinc/87/23/76/1090872376.db2.gz RYQLMNPGRCMPLT-HOTGVXAUSA-N 2 2 348.491 2.176 10 0 EEAELP C[C@H]1C[C@@H](C[NH2+]CC2(NC(=O)CCc3c[nH+]c[nH]3)CCCC2)CCO1 ZINC001438387408 1090872383 /nfs/dbraw/zinc/87/23/83/1090872383.db2.gz RYQLMNPGRCMPLT-HOTGVXAUSA-N 2 2 348.491 2.176 10 0 EEAELP Cc1nc(C)c(C[NH2+]C[C@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)s1 ZINC001438429721 1090927760 /nfs/dbraw/zinc/92/77/60/1090927760.db2.gz UPSNLAFWUBITIM-KRWDZBQOSA-N 2 2 347.488 2.031 10 0 EEAELP CC(C)Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001445496290 1091272967 /nfs/dbraw/zinc/27/29/67/1091272967.db2.gz GSCJROWQXIGTFI-MRXNPFEDSA-N 2 2 328.460 2.376 10 0 EEAELP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001445573878 1091354331 /nfs/dbraw/zinc/35/43/31/1091354331.db2.gz ZSMJFOMEKCNYSP-DOTOQJQBSA-N 2 2 326.444 2.048 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001438887180 1091529567 /nfs/dbraw/zinc/52/95/67/1091529567.db2.gz AALVOSNLLBNRCQ-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)o1 ZINC001438887180 1091529569 /nfs/dbraw/zinc/52/95/69/1091529569.db2.gz AALVOSNLLBNRCQ-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)o1 ZINC001438887180 1091529574 /nfs/dbraw/zinc/52/95/74/1091529574.db2.gz AALVOSNLLBNRCQ-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)o1 ZINC001438887180 1091529581 /nfs/dbraw/zinc/52/95/81/1091529581.db2.gz AALVOSNLLBNRCQ-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccns1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001445813528 1091687363 /nfs/dbraw/zinc/68/73/63/1091687363.db2.gz MTGGKBAWXNCAGZ-CABCVRRESA-N 2 2 338.521 2.344 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccns1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001445813528 1091687370 /nfs/dbraw/zinc/68/73/70/1091687370.db2.gz MTGGKBAWXNCAGZ-CABCVRRESA-N 2 2 338.521 2.344 10 0 EEAELP C[C@@H](C[N@H+](C)CC[C@H]1CCCC1(F)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445835403 1091729551 /nfs/dbraw/zinc/72/95/51/1091729551.db2.gz SHWNQNUWVYGPDW-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@@H](C[N@@H+](C)CC[C@H]1CCCC1(F)F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445835403 1091729559 /nfs/dbraw/zinc/72/95/59/1091729559.db2.gz SHWNQNUWVYGPDW-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001439111941 1091756333 /nfs/dbraw/zinc/75/63/33/1091756333.db2.gz UTGYJPNEVHZMRI-CABCVRRESA-N 2 2 336.480 2.265 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001439111941 1091756336 /nfs/dbraw/zinc/75/63/36/1091756336.db2.gz UTGYJPNEVHZMRI-CABCVRRESA-N 2 2 336.480 2.265 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C(C)C)o1 ZINC001439113800 1091758778 /nfs/dbraw/zinc/75/87/78/1091758778.db2.gz AMUOVRUDQDSGBK-HUUCEWRRSA-N 2 2 336.480 2.267 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C(C)C)o1 ZINC001439113800 1091758782 /nfs/dbraw/zinc/75/87/82/1091758782.db2.gz AMUOVRUDQDSGBK-HUUCEWRRSA-N 2 2 336.480 2.267 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)oc1C ZINC001439128975 1091772962 /nfs/dbraw/zinc/77/29/62/1091772962.db2.gz IEXMOLCIAUECJG-CJNGLKHVSA-N 2 2 336.480 2.006 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)oc1C ZINC001439128975 1091772965 /nfs/dbraw/zinc/77/29/65/1091772965.db2.gz IEXMOLCIAUECJG-CJNGLKHVSA-N 2 2 336.480 2.006 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001439132363 1091777368 /nfs/dbraw/zinc/77/73/68/1091777368.db2.gz XKXNYAMIZICPOY-UKRRQHHQSA-N 2 2 346.862 2.393 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001439156331 1091798804 /nfs/dbraw/zinc/79/88/04/1091798804.db2.gz KQVVAGCLPIDTJT-DAXOMENPSA-N 2 2 346.862 2.472 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1nsc2ccccc12)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445873662 1091799562 /nfs/dbraw/zinc/79/95/62/1091799562.db2.gz SVRJCADGWSNDIL-KBPBESRZSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1nsc2ccccc12)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445873662 1091799568 /nfs/dbraw/zinc/79/95/68/1091799568.db2.gz SVRJCADGWSNDIL-KBPBESRZSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@@H](C[NH+](C)Cc1nsc2ccccc12)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445873662 1091799575 /nfs/dbraw/zinc/79/95/75/1091799575.db2.gz SVRJCADGWSNDIL-KBPBESRZSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@@H](C[NH+](C)Cc1nsc2ccccc12)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445873662 1091799580 /nfs/dbraw/zinc/79/95/80/1091799580.db2.gz SVRJCADGWSNDIL-KBPBESRZSA-N 2 2 346.500 2.185 10 0 EEAELP CC(C)c1cccc(C[N@H+]2CC[C@H]2CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001446060010 1092071399 /nfs/dbraw/zinc/07/13/99/1092071399.db2.gz VFRMCSGEUXNYNB-HKUYNNGSSA-N 2 2 346.519 2.482 10 0 EEAELP CC(C)c1cccc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H](C(C)C)[NH+](C)C)n1 ZINC001446060010 1092071410 /nfs/dbraw/zinc/07/14/10/1092071410.db2.gz VFRMCSGEUXNYNB-HKUYNNGSSA-N 2 2 346.519 2.482 10 0 EEAELP CC[N@@H+]1CC[C@@H]1C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001446325257 1092522788 /nfs/dbraw/zinc/52/27/88/1092522788.db2.gz ADPBYMADJVWHHI-QZTJIDSGSA-N 2 2 331.460 2.043 10 0 EEAELP CC[N@H+]1CC[C@@H]1C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001446325257 1092522801 /nfs/dbraw/zinc/52/28/01/1092522801.db2.gz ADPBYMADJVWHHI-QZTJIDSGSA-N 2 2 331.460 2.043 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC2(C1)CC[NH+](C/C=C\Cl)CC2 ZINC001440239812 1093326587 /nfs/dbraw/zinc/32/65/87/1093326587.db2.gz KZTPPSPQSMSJBI-KXFIGUGUSA-N 2 2 336.867 2.340 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001448442747 1093451730 /nfs/dbraw/zinc/45/17/30/1093451730.db2.gz XQCYWYBQNWJXBW-NNZMDNLPSA-N 2 2 330.476 2.217 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001448442747 1093451733 /nfs/dbraw/zinc/45/17/33/1093451733.db2.gz XQCYWYBQNWJXBW-NNZMDNLPSA-N 2 2 330.476 2.217 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001448442747 1093451739 /nfs/dbraw/zinc/45/17/39/1093451739.db2.gz XQCYWYBQNWJXBW-NNZMDNLPSA-N 2 2 330.476 2.217 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1[C@H]2C[N@H+](CCCC3CCC3)C[C@H]21 ZINC001448442747 1093451741 /nfs/dbraw/zinc/45/17/41/1093451741.db2.gz XQCYWYBQNWJXBW-NNZMDNLPSA-N 2 2 330.476 2.217 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001440348341 1093499155 /nfs/dbraw/zinc/49/91/55/1093499155.db2.gz BWZXPZLJMYEJST-JCNLHEQBSA-N 2 2 330.476 2.338 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]Cc2ccc(F)cc2F)CCC1 ZINC001440353142 1093507853 /nfs/dbraw/zinc/50/78/53/1093507853.db2.gz CBIHDGZGDCZLER-UHFFFAOYSA-N 2 2 348.397 2.070 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cscn2)C1)n1cc[nH+]c1 ZINC001440401032 1093586576 /nfs/dbraw/zinc/58/65/76/1093586576.db2.gz MBDGOHGNEIRHKH-QLFBSQMISA-N 2 2 347.488 2.365 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CC[C@H]1CCOC1 ZINC001440452099 1093665752 /nfs/dbraw/zinc/66/57/52/1093665752.db2.gz YBMIXERBMJEKCS-OKZBNKHCSA-N 2 2 348.491 2.059 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CC[C@H]1CCOC1 ZINC001440452099 1093665753 /nfs/dbraw/zinc/66/57/53/1093665753.db2.gz YBMIXERBMJEKCS-OKZBNKHCSA-N 2 2 348.491 2.059 10 0 EEAELP CCc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001440827082 1094080136 /nfs/dbraw/zinc/08/01/36/1094080136.db2.gz BRJWMDMMEUIXTD-LSDHHAIUSA-N 2 2 328.460 2.208 10 0 EEAELP CCc1ccccc1CC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001441229883 1094607965 /nfs/dbraw/zinc/60/79/65/1094607965.db2.gz WISIVKLIUHETIQ-MRXNPFEDSA-N 2 2 340.471 2.125 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1nccs1 ZINC001441515725 1095211736 /nfs/dbraw/zinc/21/17/36/1095211736.db2.gz YXMXXFSZMOKCOE-ZIAGYGMSSA-N 2 2 349.504 2.490 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001441543073 1095263339 /nfs/dbraw/zinc/26/33/39/1095263339.db2.gz YJJWTWGNGOTVOI-GOEBONIOSA-N 2 2 347.463 2.403 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001441554660 1095293512 /nfs/dbraw/zinc/29/35/12/1095293512.db2.gz JKHCXPBKGRBWFR-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC001441743984 1095735313 /nfs/dbraw/zinc/73/53/13/1095735313.db2.gz UXCHGSZTOIMVHY-DAWZGUTISA-N 2 2 348.491 2.249 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC=C(Cl)Cl ZINC001442279518 1096590099 /nfs/dbraw/zinc/59/00/99/1096590099.db2.gz ZSGGYONLJVECEI-VXGBXAGGSA-N 2 2 345.274 2.249 10 0 EEAELP C[C@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001442787646 1097165096 /nfs/dbraw/zinc/16/50/96/1097165096.db2.gz TZILRTMXGWKMLP-GOEBONIOSA-N 2 2 336.455 2.091 10 0 EEAELP C[C@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001442787646 1097165101 /nfs/dbraw/zinc/16/51/01/1097165101.db2.gz TZILRTMXGWKMLP-GOEBONIOSA-N 2 2 336.455 2.091 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)cn1)[NH+]1CCCC1 ZINC001442807411 1097188969 /nfs/dbraw/zinc/18/89/69/1097188969.db2.gz HCNQYAPNUMPELM-QGZVFWFLSA-N 2 2 348.466 2.176 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(F)cn1)[NH+]1CCCC1 ZINC001442807411 1097188972 /nfs/dbraw/zinc/18/89/72/1097188972.db2.gz HCNQYAPNUMPELM-QGZVFWFLSA-N 2 2 348.466 2.176 10 0 EEAELP CCc1cccc(C[N@@H+]2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001442913485 1097321311 /nfs/dbraw/zinc/32/13/11/1097321311.db2.gz XUOWAVGDSLIENR-SFHVURJKSA-N 2 2 326.444 2.084 10 0 EEAELP CCc1cccc(C[N@H+]2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001442913485 1097321316 /nfs/dbraw/zinc/32/13/16/1097321316.db2.gz XUOWAVGDSLIENR-SFHVURJKSA-N 2 2 326.444 2.084 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001443078925 1097492347 /nfs/dbraw/zinc/49/23/47/1097492347.db2.gz FUJPFURMYXQQDB-LPHOPBHVSA-N 2 2 338.455 2.181 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001443185026 1097626500 /nfs/dbraw/zinc/62/65/00/1097626500.db2.gz JASOHOZXNFOFIW-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001443185026 1097626502 /nfs/dbraw/zinc/62/65/02/1097626502.db2.gz JASOHOZXNFOFIW-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001443185026 1097626507 /nfs/dbraw/zinc/62/65/07/1097626507.db2.gz JASOHOZXNFOFIW-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001443185026 1097626513 /nfs/dbraw/zinc/62/65/13/1097626513.db2.gz JASOHOZXNFOFIW-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001443273421 1097757165 /nfs/dbraw/zinc/75/71/65/1097757165.db2.gz XYZKQKZOVUYCHF-GFCCVEGCSA-N 2 2 331.247 2.030 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001443273421 1097757169 /nfs/dbraw/zinc/75/71/69/1097757169.db2.gz XYZKQKZOVUYCHF-GFCCVEGCSA-N 2 2 331.247 2.030 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1C[NH+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001443606600 1098101048 /nfs/dbraw/zinc/10/10/48/1098101048.db2.gz GLJGQXTYGFEDAX-ZDUSSCGKSA-N 2 2 348.397 2.279 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001444034388 1098553864 /nfs/dbraw/zinc/55/38/64/1098553864.db2.gz NEWHHOBSRQSCCH-KBPBESRZSA-N 2 2 328.407 2.193 10 0 EEAELP Cc1nc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)co1 ZINC001479781458 1098969043 /nfs/dbraw/zinc/96/90/43/1098969043.db2.gz PWXGBMDAMIIIBW-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)co1 ZINC001479781458 1098969050 /nfs/dbraw/zinc/96/90/50/1098969050.db2.gz PWXGBMDAMIIIBW-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)co1 ZINC001479781458 1098969061 /nfs/dbraw/zinc/96/90/61/1098969061.db2.gz PWXGBMDAMIIIBW-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)co1 ZINC001479781458 1098969068 /nfs/dbraw/zinc/96/90/68/1098969068.db2.gz PWXGBMDAMIIIBW-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1CC2(CCC2)C1 ZINC001479781274 1098970032 /nfs/dbraw/zinc/97/00/32/1098970032.db2.gz URPYKDUSWNVKJP-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC1CC2(CCC2)C1 ZINC001479781274 1098970041 /nfs/dbraw/zinc/97/00/41/1098970041.db2.gz URPYKDUSWNVKJP-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc2c[nH+]cn2C)c1 ZINC001444395753 1098989949 /nfs/dbraw/zinc/98/99/49/1098989949.db2.gz YHVUNXNRLSDURV-HUUCEWRRSA-N 2 2 344.459 2.074 10 0 EEAELP 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ZINC001480095908 1099657179 /nfs/dbraw/zinc/65/71/79/1099657179.db2.gz COPNECCTYFBMOT-LVQVYYBASA-N 2 2 331.451 2.090 10 0 EEAELP CC[C@@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001480095908 1099657198 /nfs/dbraw/zinc/65/71/98/1099657198.db2.gz COPNECCTYFBMOT-LVQVYYBASA-N 2 2 331.451 2.090 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)o1 ZINC001444806622 1099727118 /nfs/dbraw/zinc/72/71/18/1099727118.db2.gz NCCFKLKNYAWFMO-CVEARBPZSA-N 2 2 345.447 2.302 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1)n1cc[nH+]c1 ZINC001480162050 1099735295 /nfs/dbraw/zinc/73/52/95/1099735295.db2.gz JJVWVNKCGNOMMU-ULQDDVLXSA-N 2 2 342.443 2.150 10 0 EEAELP Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)o1 ZINC001480209895 1099819593 /nfs/dbraw/zinc/81/95/93/1099819593.db2.gz USXFGGKGRCCXOV-HLLBOEOZSA-N 2 2 345.447 2.204 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]Cc2nccs2)C(C)C)c[nH+]1 ZINC001444902776 1099960827 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CC(C)[N@@H+](C)CC(=O)NCC1C[NH+](Cc2cccc(F)c2Cl)C1 ZINC001494633327 1104217597 /nfs/dbraw/zinc/21/75/97/1104217597.db2.gz PXNXVHSKCYHDRY-UHFFFAOYSA-N 2 2 341.858 2.367 10 0 EEAELP Cc1ccncc1C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001498393117 1107442571 /nfs/dbraw/zinc/44/25/71/1107442571.db2.gz QIKZOYGRRYQQRN-HZPDHXFCSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ccncc1C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001498393117 1107442578 /nfs/dbraw/zinc/44/25/78/1107442578.db2.gz QIKZOYGRRYQQRN-HZPDHXFCSA-N 2 2 329.448 2.174 10 0 EEAELP CCc1ccccc1C[NH2+]CCCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001498648034 1107891812 /nfs/dbraw/zinc/89/18/12/1107891812.db2.gz OHYFBZWWLLGKSR-UHFFFAOYSA-N 2 2 328.460 2.461 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001498780113 1108088423 /nfs/dbraw/zinc/08/84/23/1108088423.db2.gz YDMXMFXXBCPZTD-SFHVURJKSA-N 2 2 339.439 2.317 10 0 EEAELP C[C@H](F)CC[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001493846557 1108730226 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MEQUTYIBRFACOA-MJGOQNOKSA-N 2 2 348.491 2.130 10 0 EEAELP CC(C)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001500616640 1112980040 /nfs/dbraw/zinc/98/00/40/1112980040.db2.gz GZEGETKSCFZXLO-CQSZACIVSA-N 2 2 342.434 2.082 10 0 EEAELP CC(C)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001500616640 1112980042 /nfs/dbraw/zinc/98/00/42/1112980042.db2.gz GZEGETKSCFZXLO-CQSZACIVSA-N 2 2 342.434 2.082 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N(CC[NH2+]Cc1ccccn1)Cc1ccccc1 ZINC001501198142 1113238245 /nfs/dbraw/zinc/23/82/45/1113238245.db2.gz WZEQOMTZVVILLE-UHFFFAOYSA-N 2 2 349.438 2.166 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccon1)CC(C)(C)C ZINC001501399458 1113342823 /nfs/dbraw/zinc/34/28/23/1113342823.db2.gz HICHKFTXPPRRJM-DLBZAZTESA-N 2 2 348.491 2.218 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1ccon1)CC(C)(C)C ZINC001501399458 1113342827 /nfs/dbraw/zinc/34/28/27/1113342827.db2.gz HICHKFTXPPRRJM-DLBZAZTESA-N 2 2 348.491 2.218 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccon1)CC(C)(C)C ZINC001501399458 1113342830 /nfs/dbraw/zinc/34/28/30/1113342830.db2.gz HICHKFTXPPRRJM-DLBZAZTESA-N 2 2 348.491 2.218 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccon1)CC(C)(C)C ZINC001501399458 1113342831 /nfs/dbraw/zinc/34/28/31/1113342831.db2.gz HICHKFTXPPRRJM-DLBZAZTESA-N 2 2 348.491 2.218 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001501399655 1113343049 /nfs/dbraw/zinc/34/30/49/1113343049.db2.gz JUSPGCGVRFATDJ-IAGOWNOFSA-N 2 2 346.475 2.069 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001501399655 1113343053 /nfs/dbraw/zinc/34/30/53/1113343053.db2.gz JUSPGCGVRFATDJ-IAGOWNOFSA-N 2 2 346.475 2.069 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1COC2(C[NH+](CC=C(C)C)C2)C1)[NH+](CC)CC ZINC001502464274 1113693814 /nfs/dbraw/zinc/69/38/14/1113693814.db2.gz HMNWCRYMSWCQSX-SJORKVTESA-N 2 2 337.508 2.033 10 0 EEAELP Cc1cccnc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001505653108 1114110761 /nfs/dbraw/zinc/11/07/61/1114110761.db2.gz QTEMPFAUIFBVKQ-HUUCEWRRSA-N 2 2 337.427 2.334 10 0 EEAELP Cc1ccc(CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC001505733691 1114157749 /nfs/dbraw/zinc/15/77/49/1114157749.db2.gz WQZAVSJFIKEDJC-IRXDYDNUSA-N 2 2 342.487 2.387 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)Cc1ccc(F)cc1 ZINC001505948679 1114295322 /nfs/dbraw/zinc/29/53/22/1114295322.db2.gz SSWWLLBWDKVMMN-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001505948679 1114295324 /nfs/dbraw/zinc/29/53/24/1114295324.db2.gz SSWWLLBWDKVMMN-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1cccc(Cl)n1 ZINC001506069296 1114392842 /nfs/dbraw/zinc/39/28/42/1114392842.db2.gz LKFFVUALYXVWDB-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1cccc(Cl)n1 ZINC001506069296 1114392844 /nfs/dbraw/zinc/39/28/44/1114392844.db2.gz LKFFVUALYXVWDB-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP Cc1ncoc1C[NH2+]CC1(NC(=O)Cc2[nH]c[nH+]c2C)CCCCC1 ZINC001506523409 1114672439 /nfs/dbraw/zinc/67/24/39/1114672439.db2.gz VNBDMKNQKOIBOY-UHFFFAOYSA-N 2 2 345.447 2.166 10 0 EEAELP C[C@H](CCC[NH2+]C[C@@H]1CCCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001506930754 1114981950 /nfs/dbraw/zinc/98/19/50/1114981950.db2.gz KQMVOBABNUCVLB-CVEARBPZSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1c[nH+]cn1C ZINC001507293175 1115177496 /nfs/dbraw/zinc/17/74/96/1115177496.db2.gz LBWLZCYXJLJQAJ-GXTWGEPZSA-N 2 2 346.397 2.274 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@H+](C)Cc1ccc(F)cn1)C(C)C ZINC001507815191 1115351540 /nfs/dbraw/zinc/35/15/40/1115351540.db2.gz CDXNHWRHKAVTLN-UHFFFAOYSA-N 2 2 347.438 2.095 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@@H+](C)Cc1ccc(F)cn1)C(C)C ZINC001507815191 1115351542 /nfs/dbraw/zinc/35/15/42/1115351542.db2.gz CDXNHWRHKAVTLN-UHFFFAOYSA-N 2 2 347.438 2.095 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001568393528 1124463870 /nfs/dbraw/zinc/46/38/70/1124463870.db2.gz NFMWHXOTTSMWTE-SFHVURJKSA-N 2 2 341.459 2.217 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568531158 1124593291 /nfs/dbraw/zinc/59/32/91/1124593291.db2.gz NKFAIIRVFNKHFC-HOCLYGCPSA-N 2 2 344.459 2.476 10 0 EEAELP C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001568639830 1124652813 /nfs/dbraw/zinc/65/28/13/1124652813.db2.gz ZYDWCPJQQXWXGC-SNVBAGLBSA-N 2 2 341.868 2.137 10 0 EEAELP C[C@H](CC[NH2+]Cc1cnc(Cl)s1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001568639830 1124652824 /nfs/dbraw/zinc/65/28/24/1124652824.db2.gz ZYDWCPJQQXWXGC-SNVBAGLBSA-N 2 2 341.868 2.137 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1ccccc1C ZINC001568870311 1124896759 /nfs/dbraw/zinc/89/67/59/1124896759.db2.gz AYRXXJYSVVQWFX-WAYWQWQTSA-N 2 2 339.439 2.403 10 0 EEAELP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001569216384 1125171929 /nfs/dbraw/zinc/17/19/29/1125171929.db2.gz KEAXILMIVRDCBF-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CN(CCC[NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)Cc1c[nH+]c[nH]1 ZINC001569244356 1125190721 /nfs/dbraw/zinc/19/07/21/1125190721.db2.gz KZQZVJOOYCYPIT-UHFFFAOYSA-N 2 2 349.504 2.345 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)CCC[NH2+]CC3CCC3)[nH+]c12 ZINC001569248119 1125193550 /nfs/dbraw/zinc/19/35/50/1125193550.db2.gz NMGIKWGSCSNAKU-UHFFFAOYSA-N 2 2 328.460 2.423 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000173761061 231025883 /nfs/dbraw/zinc/02/58/83/231025883.db2.gz UEAKOVISASXINJ-DOTOQJQBSA-N 2 2 345.491 2.306 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000173761061 231025886 /nfs/dbraw/zinc/02/58/86/231025886.db2.gz UEAKOVISASXINJ-DOTOQJQBSA-N 2 2 345.491 2.306 10 0 EEAELP C[NH2+]Cc1cccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000415948351 530008049 /nfs/dbraw/zinc/00/80/49/530008049.db2.gz YAPOTJDYAKMHQN-GOSISDBHSA-N 2 2 346.475 2.125 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1C ZINC000178328064 232137880 /nfs/dbraw/zinc/13/78/80/232137880.db2.gz RHPMEMUUYLXKQJ-MSOLQXFVSA-N 2 2 329.444 2.404 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1C ZINC000178328064 232137883 /nfs/dbraw/zinc/13/78/83/232137883.db2.gz RHPMEMUUYLXKQJ-MSOLQXFVSA-N 2 2 329.444 2.404 10 0 EEAELP C[N@H+](CCN1CC[NH+](Cc2ccccn2)CC1)Cc1ccc(F)cc1 ZINC000173180988 539547193 /nfs/dbraw/zinc/54/71/93/539547193.db2.gz KUJHGRAKUQDQFO-UHFFFAOYSA-N 2 2 342.462 2.470 10 0 EEAELP C[N@@H+](CCN1CC[NH+](Cc2ccccn2)CC1)Cc1ccc(F)cc1 ZINC000173180988 539547198 /nfs/dbraw/zinc/54/71/98/539547198.db2.gz KUJHGRAKUQDQFO-UHFFFAOYSA-N 2 2 342.462 2.470 10 0 EEAELP COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000191490769 539639327 /nfs/dbraw/zinc/63/93/27/539639327.db2.gz FLTYJYIKJQBQIN-QGZVFWFLSA-N 2 2 329.448 2.025 10 0 EEAELP COCCN(C)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cn1 ZINC000191490769 539639330 /nfs/dbraw/zinc/63/93/30/539639330.db2.gz FLTYJYIKJQBQIN-QGZVFWFLSA-N 2 2 329.448 2.025 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@@H](C)[NH+]1CCC[NH+](C)C ZINC000036124990 213071659 /nfs/dbraw/zinc/07/16/59/213071659.db2.gz CUDNRKINWWXVAJ-HZPDHXFCSA-N 2 2 335.467 2.241 10 0 EEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727269 240196574 /nfs/dbraw/zinc/19/65/74/240196574.db2.gz BZWJECPCGNUAHL-HZMBPMFUSA-N 2 2 331.229 2.445 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCN2CCCC2=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422773868 240217000 /nfs/dbraw/zinc/21/70/00/240217000.db2.gz UZUVIMXUWUBECO-PKOBYXMFSA-N 2 2 331.460 2.090 10 0 EEAELP FC(F)(F)COc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422879736 240271720 /nfs/dbraw/zinc/27/17/20/240271720.db2.gz KXUDKANSENIESC-JKSUJKDBSA-N 2 2 344.377 2.484 10 0 EEAELP CCn1cc[nH+]c1C1CC[NH+](C[C@@H]2Cc3c(nc(C)nc3C)O2)CC1 ZINC000091645016 218038706 /nfs/dbraw/zinc/03/87/06/218038706.db2.gz YTRLHVIYUYKNPB-INIZCTEOSA-N 2 2 341.459 2.493 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C2 ZINC000273040100 256260294 /nfs/dbraw/zinc/26/02/94/256260294.db2.gz WARMGYFXVYGNEI-AWEZNQCLSA-N 2 2 345.491 2.262 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C2 ZINC000273040100 256260295 /nfs/dbraw/zinc/26/02/95/256260295.db2.gz WARMGYFXVYGNEI-AWEZNQCLSA-N 2 2 345.491 2.262 10 0 EEAELP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000069813287 304320156 /nfs/dbraw/zinc/32/01/56/304320156.db2.gz WUKSVWTTZNKXDU-MOPGFXCFSA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000069813287 304320157 /nfs/dbraw/zinc/32/01/57/304320157.db2.gz WUKSVWTTZNKXDU-MOPGFXCFSA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000069813287 304320158 /nfs/dbraw/zinc/32/01/58/304320158.db2.gz WUKSVWTTZNKXDU-MOPGFXCFSA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000069813287 304320159 /nfs/dbraw/zinc/32/01/59/304320159.db2.gz WUKSVWTTZNKXDU-MOPGFXCFSA-N 2 2 342.487 2.133 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000111470151 142361389 /nfs/dbraw/zinc/36/13/89/142361389.db2.gz BDTWIWHGBGTRAA-QGZVFWFLSA-N 2 2 345.491 2.224 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000111470151 142361394 /nfs/dbraw/zinc/36/13/94/142361394.db2.gz BDTWIWHGBGTRAA-QGZVFWFLSA-N 2 2 345.491 2.224 10 0 EEAELP CCCSCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172750741 152114617 /nfs/dbraw/zinc/11/46/17/152114617.db2.gz AHYKJNLPMPVCCH-UHFFFAOYSA-N 2 2 327.538 2.196 10 0 EEAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000190926493 152230376 /nfs/dbraw/zinc/23/03/76/152230376.db2.gz YTXSDOJFHBABLI-HFCFLWKCSA-N 2 2 349.475 2.140 10 0 EEAELP CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)CC1 ZINC000190926493 152230379 /nfs/dbraw/zinc/23/03/79/152230379.db2.gz YTXSDOJFHBABLI-HFCFLWKCSA-N 2 2 349.475 2.140 10 0 EEAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262973671 152349093 /nfs/dbraw/zinc/34/90/93/152349093.db2.gz MAAVSNXRDYWMTG-HNNXBMFYSA-N 2 2 325.403 2.140 10 0 EEAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262973671 152349095 /nfs/dbraw/zinc/34/90/95/152349095.db2.gz MAAVSNXRDYWMTG-HNNXBMFYSA-N 2 2 325.403 2.140 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCCc3ccccc3)CC2)cc[nH+]1 ZINC000352241300 153017777 /nfs/dbraw/zinc/01/77/77/153017777.db2.gz JWLIFWYDUJHNGF-UHFFFAOYSA-N 2 2 325.460 2.297 10 0 EEAELP COc1ccc([C@H]([NH2+]CCC2(O)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423112837 286375661 /nfs/dbraw/zinc/37/56/61/286375661.db2.gz YCRGTFUBQTZFIR-ROUUACIJSA-N 2 2 334.460 2.010 10 0 EEAELP CCn1nc(C)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000093147280 159231327 /nfs/dbraw/zinc/23/13/27/159231327.db2.gz BQZBECMSJITQHZ-GOSISDBHSA-N 2 2 333.524 2.122 10 0 EEAELP CCn1nc(C)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1C ZINC000093147280 159231328 /nfs/dbraw/zinc/23/13/28/159231328.db2.gz BQZBECMSJITQHZ-GOSISDBHSA-N 2 2 333.524 2.122 10 0 EEAELP COC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCCC1 ZINC000185814456 160048975 /nfs/dbraw/zinc/04/89/75/160048975.db2.gz QZEOBTJIZFTDAZ-JWTNVVGKSA-N 2 2 349.519 2.105 10 0 EEAELP COC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCCC1 ZINC000185814456 160048978 /nfs/dbraw/zinc/04/89/78/160048978.db2.gz QZEOBTJIZFTDAZ-JWTNVVGKSA-N 2 2 349.519 2.105 10 0 EEAELP O=C(NCCCC[NH+]1CCCC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186360570 160068147 /nfs/dbraw/zinc/06/81/47/160068147.db2.gz KIFGIIMMGVRVMS-UHFFFAOYSA-N 2 2 345.491 2.179 10 0 EEAELP C[C@@H]([NH2+]CCn1nc2ccccn2c1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000359849349 164184876 /nfs/dbraw/zinc/18/48/76/164184876.db2.gz YWYPPFIPMFYBDZ-OAHLLOKOSA-N 2 2 348.410 2.033 10 0 EEAELP CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368088778 166049514 /nfs/dbraw/zinc/04/95/14/166049514.db2.gz HVCGNPVCYQFFMX-JTQLQIEISA-N 2 2 339.848 2.114 10 0 EEAELP CS(=O)(=O)c1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368088778 166049516 /nfs/dbraw/zinc/04/95/16/166049516.db2.gz HVCGNPVCYQFFMX-JTQLQIEISA-N 2 2 339.848 2.114 10 0 EEAELP Cc1nc(N2CCN(c3cc[nH+]cc3Br)CC2)cc[nH+]1 ZINC000274744155 269048076 /nfs/dbraw/zinc/04/80/76/269048076.db2.gz GCWMLWYHGHRPOF-UHFFFAOYSA-N 2 2 334.221 2.269 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC000279779702 269305269 /nfs/dbraw/zinc/30/52/69/269305269.db2.gz BVWNCWPEWRIXPZ-LLVKDONJSA-N 2 2 338.402 2.469 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)c2[nH+]ccn21 ZINC000456375856 274391470 /nfs/dbraw/zinc/39/14/70/274391470.db2.gz KIOXGSZKFAGNOF-UKRRQHHQSA-N 2 2 328.416 2.259 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084831 275373852 /nfs/dbraw/zinc/37/38/52/275373852.db2.gz GAWRVVSWSZKIIA-HKUYNNGSSA-N 2 2 331.435 2.349 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084831 275373854 /nfs/dbraw/zinc/37/38/54/275373854.db2.gz GAWRVVSWSZKIIA-HKUYNNGSSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084831 275373855 /nfs/dbraw/zinc/37/38/55/275373855.db2.gz GAWRVVSWSZKIIA-HKUYNNGSSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084831 275373857 /nfs/dbraw/zinc/37/38/57/275373857.db2.gz GAWRVVSWSZKIIA-HKUYNNGSSA-N 2 2 331.435 2.349 10 0 EEAELP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000449393466 277056198 /nfs/dbraw/zinc/05/61/98/277056198.db2.gz CETKNIHPHQJRQU-OKZBNKHCSA-N 2 2 340.508 2.325 10 0 EEAELP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2CCO)C1 ZINC000449393466 277056199 /nfs/dbraw/zinc/05/61/99/277056199.db2.gz CETKNIHPHQJRQU-OKZBNKHCSA-N 2 2 340.508 2.325 10 0 EEAELP COc1ccc([C@@H]([NH2+]CC2(C(N)=O)CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422743106 277426792 /nfs/dbraw/zinc/42/67/92/277426792.db2.gz HWYFIDYJJFNACK-IAGOWNOFSA-N 2 2 331.460 2.124 10 0 EEAELP C[C@@]1(C[N@@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]C1 ZINC000261946449 278121957 /nfs/dbraw/zinc/12/19/57/278121957.db2.gz FJQRGONSZHCMHE-CYBMUJFWSA-N 2 2 349.426 2.069 10 0 EEAELP C[C@@]1(C[N@H+]2CCCN(c3nnc(C(F)(F)F)s3)CC2)CC[NH2+]C1 ZINC000261946449 278121959 /nfs/dbraw/zinc/12/19/59/278121959.db2.gz FJQRGONSZHCMHE-CYBMUJFWSA-N 2 2 349.426 2.069 10 0 EEAELP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000107892186 279395660 /nfs/dbraw/zinc/39/56/60/279395660.db2.gz ZYOQKINJIIFBCB-FUHWJXTLSA-N 2 2 347.528 2.235 10 0 EEAELP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000107892186 279395661 /nfs/dbraw/zinc/39/56/61/279395661.db2.gz ZYOQKINJIIFBCB-FUHWJXTLSA-N 2 2 347.528 2.235 10 0 EEAELP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000429554313 289296323 /nfs/dbraw/zinc/29/63/23/289296323.db2.gz RYESENVEOZXUON-ZCYBBYNQSA-N 2 2 333.520 2.488 10 0 EEAELP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000429554313 289296326 /nfs/dbraw/zinc/29/63/26/289296326.db2.gz RYESENVEOZXUON-ZCYBBYNQSA-N 2 2 333.520 2.488 10 0 EEAELP CCC(CC)[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)[NH+]1CCOCC1 ZINC000297328130 294213352 /nfs/dbraw/zinc/21/33/52/294213352.db2.gz SPUCNTJLWLGIFZ-SFHVURJKSA-N 2 2 344.459 2.088 10 0 EEAELP Cc1ccncc1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262052718 302288884 /nfs/dbraw/zinc/28/88/84/302288884.db2.gz ZUSFSYVIEXKUSP-QGZVFWFLSA-N 2 2 325.460 2.268 10 0 EEAELP Cc1ccncc1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262052718 302288888 /nfs/dbraw/zinc/28/88/88/302288888.db2.gz ZUSFSYVIEXKUSP-QGZVFWFLSA-N 2 2 325.460 2.268 10 0 EEAELP Cc1ccncc1CN(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262052718 302288891 /nfs/dbraw/zinc/28/88/91/302288891.db2.gz ZUSFSYVIEXKUSP-QGZVFWFLSA-N 2 2 325.460 2.268 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000333295321 312126158 /nfs/dbraw/zinc/12/61/58/312126158.db2.gz RZKAWECGELMOBK-MDZRGWNJSA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000333295321 312126160 /nfs/dbraw/zinc/12/61/60/312126160.db2.gz RZKAWECGELMOBK-MDZRGWNJSA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)nc[nH+]1 ZINC000333925008 312214704 /nfs/dbraw/zinc/21/47/04/312214704.db2.gz UDWZBEGNOZKFPB-NAHJCDBISA-N 2 2 345.491 2.266 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)[nH+]cn1 ZINC000333925008 312214705 /nfs/dbraw/zinc/21/47/05/312214705.db2.gz UDWZBEGNOZKFPB-NAHJCDBISA-N 2 2 345.491 2.266 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339086647 312251489 /nfs/dbraw/zinc/25/14/89/312251489.db2.gz GMGMUOXHGXARLI-ARFHVFGLSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339086647 312251490 /nfs/dbraw/zinc/25/14/90/312251490.db2.gz GMGMUOXHGXARLI-ARFHVFGLSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339086647 312251492 /nfs/dbraw/zinc/25/14/92/312251492.db2.gz GMGMUOXHGXARLI-ARFHVFGLSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339086647 312251493 /nfs/dbraw/zinc/25/14/93/312251493.db2.gz GMGMUOXHGXARLI-ARFHVFGLSA-N 2 2 339.842 2.435 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[N@@H+]1C ZINC000340960779 312260231 /nfs/dbraw/zinc/26/02/31/312260231.db2.gz OCMISKNBTYSJPX-DGCLKSJQSA-N 2 2 335.839 2.270 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[N@H+]1C ZINC000340960779 312260233 /nfs/dbraw/zinc/26/02/33/312260233.db2.gz OCMISKNBTYSJPX-DGCLKSJQSA-N 2 2 335.839 2.270 10 0 EEAELP Cn1cc([C@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000354173105 312392217 /nfs/dbraw/zinc/39/22/17/312392217.db2.gz SFDNCJYJOOBLMS-NXEWRWPSSA-N 2 2 340.471 2.239 10 0 EEAELP Cn1cc([C@H](CO)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000354173105 312392221 /nfs/dbraw/zinc/39/22/21/312392221.db2.gz SFDNCJYJOOBLMS-NXEWRWPSSA-N 2 2 340.471 2.239 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C[C@H]21 ZINC000416939245 313367159 /nfs/dbraw/zinc/36/71/59/313367159.db2.gz MTBXTRRBJYBUKS-KCPJHIHWSA-N 2 2 347.850 2.257 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418727187 313890478 /nfs/dbraw/zinc/89/04/78/313890478.db2.gz PATFPIPUDOFTPJ-GUTXKFCHSA-N 2 2 329.448 2.254 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](CC(C)C)C(=O)OC)CC2)CC1 ZINC000420981999 314015137 /nfs/dbraw/zinc/01/51/37/314015137.db2.gz NZIAGWWWFFZHFY-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@H+]([C@H](CC(C)C)C(=O)OC)CC2)CC1 ZINC000420981999 314015140 /nfs/dbraw/zinc/01/51/40/314015140.db2.gz NZIAGWWWFFZHFY-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN([C@H](CC(C)C)C(=O)OC)CC2)CC1 ZINC000420981999 314015142 /nfs/dbraw/zinc/01/51/42/314015142.db2.gz NZIAGWWWFFZHFY-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN([C@H](CC(C)C)C(=O)OC)CC2)CC1 ZINC000420981999 314015145 /nfs/dbraw/zinc/01/51/45/314015145.db2.gz NZIAGWWWFFZHFY-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cc(Cl)ccc2F)CC1 ZINC000444687598 315316853 /nfs/dbraw/zinc/31/68/53/315316853.db2.gz BAIURVGZYHVVTN-ZDUSSCGKSA-N 2 2 341.858 2.464 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cc(Cl)ccc2F)CC1 ZINC000444687598 315316858 /nfs/dbraw/zinc/31/68/58/315316858.db2.gz BAIURVGZYHVVTN-ZDUSSCGKSA-N 2 2 341.858 2.464 10 0 EEAELP Cc1ccc(OC[C@H](O)C[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1 ZINC000521227715 316902044 /nfs/dbraw/zinc/90/20/44/316902044.db2.gz YMACITBELRZCQS-QGZVFWFLSA-N 2 2 329.444 2.100 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)ccn1 ZINC000527663719 317239644 /nfs/dbraw/zinc/23/96/44/317239644.db2.gz CTNYZBSLZHOABL-PMACEKPBSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccn1 ZINC000527663719 317239645 /nfs/dbraw/zinc/23/96/45/317239645.db2.gz CTNYZBSLZHOABL-PMACEKPBSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H]2CCCN(C)C2=O)c(C)c1 ZINC000538705525 318042535 /nfs/dbraw/zinc/04/25/35/318042535.db2.gz QWKPWICYKUFUDH-ZWKOTPCHSA-N 2 2 326.444 2.452 10 0 EEAELP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cc1 ZINC000542158250 318122967 /nfs/dbraw/zinc/12/29/67/318122967.db2.gz UOIJTSFNFJHBGQ-RHSMWYFYSA-N 2 2 342.443 2.271 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1 ZINC000542720197 318137906 /nfs/dbraw/zinc/13/79/06/318137906.db2.gz OATYUGLRPQIASD-INIZCTEOSA-N 2 2 329.448 2.103 10 0 EEAELP CC[N@@H+]1CCCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)CC1 ZINC000545241165 318210384 /nfs/dbraw/zinc/21/03/84/318210384.db2.gz WBIZGMDYBGCDJO-OAHLLOKOSA-N 2 2 341.459 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ZINC000170611934 463684018 /nfs/dbraw/zinc/68/40/18/463684018.db2.gz ZZSRCDKYZADASK-HNNXBMFYSA-N 2 2 339.430 2.185 10 0 EEAELP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cccc21 ZINC000568716826 468376155 /nfs/dbraw/zinc/37/61/55/468376155.db2.gz OOQPUHJPPWZKSC-GUYCJALGSA-N 2 2 340.427 2.469 10 0 EEAELP Cn1cc(-c2nc([C@@H]3CCCCC[N@@H+]3C[C@H]3CCC[NH2+]C3)no2)cn1 ZINC000261743563 463847218 /nfs/dbraw/zinc/84/72/18/463847218.db2.gz BPBQIJFTXBFZGT-HOCLYGCPSA-N 2 2 344.463 2.387 10 0 EEAELP Cn1cc(-c2nc([C@@H]3CCCCC[N@H+]3C[C@H]3CCC[NH2+]C3)no2)cn1 ZINC000261743563 463847222 /nfs/dbraw/zinc/84/72/22/463847222.db2.gz BPBQIJFTXBFZGT-HOCLYGCPSA-N 2 2 344.463 2.387 10 0 EEAELP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000261961662 463912204 /nfs/dbraw/zinc/91/22/04/463912204.db2.gz PRRNBRWLSXUUMC-XHSDSOJGSA-N 2 2 337.851 2.025 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178754239 463964130 /nfs/dbraw/zinc/96/41/30/463964130.db2.gz HGSZRIVASAWRHW-MRXNPFEDSA-N 2 2 328.416 2.303 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178754239 463964135 /nfs/dbraw/zinc/96/41/35/463964135.db2.gz HGSZRIVASAWRHW-MRXNPFEDSA-N 2 2 328.416 2.303 10 0 EEAELP Cc1cn2cc(NC(=O)N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH+]1 ZINC000279033179 464026118 /nfs/dbraw/zinc/02/61/18/464026118.db2.gz IOYICDBKPZILHJ-GASCZTMLSA-N 2 2 345.447 2.216 10 0 EEAELP Cc1cn2cc(NC(=O)N(C)CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)ccc2[nH+]1 ZINC000279033179 464026124 /nfs/dbraw/zinc/02/61/24/464026124.db2.gz IOYICDBKPZILHJ-GASCZTMLSA-N 2 2 345.447 2.216 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000279103448 464038784 /nfs/dbraw/zinc/03/87/84/464038784.db2.gz AYVSQDOMOIIVPY-WMLDXEAASA-N 2 2 334.370 2.182 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000279103448 464038787 /nfs/dbraw/zinc/03/87/87/464038787.db2.gz AYVSQDOMOIIVPY-WMLDXEAASA-N 2 2 334.370 2.182 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnc(C4CC4)n3C)C2)[nH+]1 ZINC000195516355 464064231 /nfs/dbraw/zinc/06/42/31/464064231.db2.gz QHZJQGPIUMSXRQ-CQSZACIVSA-N 2 2 326.448 2.330 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnc(C4CC4)n3C)C2)[nH+]1 ZINC000195516355 464064235 /nfs/dbraw/zinc/06/42/35/464064235.db2.gz QHZJQGPIUMSXRQ-CQSZACIVSA-N 2 2 326.448 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000172432176 464079614 /nfs/dbraw/zinc/07/96/14/464079614.db2.gz RXYDSXCXMBDCIY-HNNXBMFYSA-N 2 2 330.436 2.079 10 0 EEAELP COC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284179281 464104008 /nfs/dbraw/zinc/10/40/08/464104008.db2.gz RFRHZQPADLFIID-RTBURBONSA-N 2 2 346.471 2.163 10 0 EEAELP COC(=O)[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284179281 464104011 /nfs/dbraw/zinc/10/40/11/464104011.db2.gz RFRHZQPADLFIID-RTBURBONSA-N 2 2 346.471 2.163 10 0 EEAELP COC(=O)[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284179281 464104015 /nfs/dbraw/zinc/10/40/15/464104015.db2.gz RFRHZQPADLFIID-RTBURBONSA-N 2 2 346.471 2.163 10 0 EEAELP COC(=O)[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284179281 464104018 /nfs/dbraw/zinc/10/40/18/464104018.db2.gz RFRHZQPADLFIID-RTBURBONSA-N 2 2 346.471 2.163 10 0 EEAELP Cn1c2c([nH+]c1[C@H]1CCCN1C(=O)CCn1cc[nH+]c1)CCCC2 ZINC000284466746 464202126 /nfs/dbraw/zinc/20/21/26/464202126.db2.gz BBHOAVHUYZLUKS-MRXNPFEDSA-N 2 2 327.432 2.249 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccccc1 ZINC000270258738 464236532 /nfs/dbraw/zinc/23/65/32/464236532.db2.gz CPDLEBDKSONJOG-WMZOPIPTSA-N 2 2 339.443 2.238 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccccc1 ZINC000270258738 464236537 /nfs/dbraw/zinc/23/65/37/464236537.db2.gz CPDLEBDKSONJOG-WMZOPIPTSA-N 2 2 339.443 2.238 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000270966682 464273695 /nfs/dbraw/zinc/27/36/95/464273695.db2.gz BBMVHONHKVCTNG-ULQDDVLXSA-N 2 2 339.430 2.412 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000270966682 464273699 /nfs/dbraw/zinc/27/36/99/464273699.db2.gz BBMVHONHKVCTNG-ULQDDVLXSA-N 2 2 339.430 2.412 10 0 EEAELP C[C@@H]([NH2+]CC(=O)NCc1cccnc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180662527 464364001 /nfs/dbraw/zinc/36/40/01/464364001.db2.gz JEUYIGVHIXUOTR-OAHLLOKOSA-N 2 2 335.411 2.234 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246002667 464533928 /nfs/dbraw/zinc/53/39/28/464533928.db2.gz GNRKRTFMAJPRDA-UMVBOHGHSA-N 2 2 330.519 2.154 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246002667 464533936 /nfs/dbraw/zinc/53/39/36/464533936.db2.gz GNRKRTFMAJPRDA-UMVBOHGHSA-N 2 2 330.519 2.154 10 0 EEAELP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[NH+]1CCc2sccc2C1 ZINC000248139950 464734677 /nfs/dbraw/zinc/73/46/77/464734677.db2.gz PUTVZEYDBSNQJO-HZPDHXFCSA-N 2 2 333.501 2.191 10 0 EEAELP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[NH+]1CCc2sccc2C1 ZINC000248139950 464734682 /nfs/dbraw/zinc/73/46/82/464734682.db2.gz PUTVZEYDBSNQJO-HZPDHXFCSA-N 2 2 333.501 2.191 10 0 EEAELP C[NH+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[N@@H+]1CCc2sccc2C1 ZINC000248139950 464734687 /nfs/dbraw/zinc/73/46/87/464734687.db2.gz PUTVZEYDBSNQJO-HZPDHXFCSA-N 2 2 333.501 2.191 10 0 EEAELP C[NH+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C[N@H+]1CCc2sccc2C1 ZINC000248139950 464734692 /nfs/dbraw/zinc/73/46/92/464734692.db2.gz PUTVZEYDBSNQJO-HZPDHXFCSA-N 2 2 333.501 2.191 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CO)o2)C1 ZINC000275482346 464775390 /nfs/dbraw/zinc/77/53/90/464775390.db2.gz BDOQNXZPQBDXQG-AWEZNQCLSA-N 2 2 335.473 2.491 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(CO)o2)C1 ZINC000275482346 464775394 /nfs/dbraw/zinc/77/53/94/464775394.db2.gz BDOQNXZPQBDXQG-AWEZNQCLSA-N 2 2 335.473 2.491 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(CO)o2)C1 ZINC000275482346 464775398 /nfs/dbraw/zinc/77/53/98/464775398.db2.gz BDOQNXZPQBDXQG-AWEZNQCLSA-N 2 2 335.473 2.491 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000275482346 464775401 /nfs/dbraw/zinc/77/54/01/464775401.db2.gz BDOQNXZPQBDXQG-AWEZNQCLSA-N 2 2 335.473 2.491 10 0 EEAELP CCC(CC)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000177004363 464904236 /nfs/dbraw/zinc/90/42/36/464904236.db2.gz JKMVDYVWVBZZPT-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000177004363 464904241 /nfs/dbraw/zinc/90/42/41/464904241.db2.gz JKMVDYVWVBZZPT-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000184283878 464960330 /nfs/dbraw/zinc/96/03/30/464960330.db2.gz QFFSJSFGWHXYQX-SFHVURJKSA-N 2 2 349.475 2.066 10 0 EEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000184283878 464960335 /nfs/dbraw/zinc/96/03/35/464960335.db2.gz QFFSJSFGWHXYQX-SFHVURJKSA-N 2 2 349.475 2.066 10 0 EEAELP OC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286620403 464981169 /nfs/dbraw/zinc/98/11/69/464981169.db2.gz YWBNYDKZVPXQMG-YOFSQIOKSA-N 2 2 329.488 2.186 10 0 EEAELP OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000286620403 464981175 /nfs/dbraw/zinc/98/11/75/464981175.db2.gz YWBNYDKZVPXQMG-YOFSQIOKSA-N 2 2 329.488 2.186 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@@H](C)Cn1cc[nH+]c1 ZINC000356818723 465557981 /nfs/dbraw/zinc/55/79/81/465557981.db2.gz BOESHPNRNNMVNE-CQSZACIVSA-N 2 2 325.416 2.384 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000344632764 465737156 /nfs/dbraw/zinc/73/71/56/465737156.db2.gz UNFLYEMDCYKWOG-JOYOIKCWSA-N 2 2 327.222 2.218 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000344632764 465737164 /nfs/dbraw/zinc/73/71/64/465737164.db2.gz UNFLYEMDCYKWOG-JOYOIKCWSA-N 2 2 327.222 2.218 10 0 EEAELP C[C@H](Cn1cccn1)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344661512 465759497 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EEAELP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357823064 466240928 /nfs/dbraw/zinc/24/09/28/466240928.db2.gz AFYHGRDVUZIXQV-HUUCEWRRSA-N 2 2 333.480 2.078 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357823064 466240932 /nfs/dbraw/zinc/24/09/32/466240932.db2.gz AFYHGRDVUZIXQV-HUUCEWRRSA-N 2 2 333.480 2.078 10 0 EEAELP CSc1ccc([C@@H](CNc2nc(C)[nH+]c(N(C)C)n2)[NH+](C)C)cc1 ZINC000338829159 466408503 /nfs/dbraw/zinc/40/85/03/466408503.db2.gz CEIFPQYLOSBXAY-OAHLLOKOSA-N 2 2 346.504 2.683 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@@H](C)O)CC1 ZINC000597249209 468495894 /nfs/dbraw/zinc/49/58/94/468495894.db2.gz NENGXNRHGCPBKP-DNVCBOLYSA-N 2 2 334.460 2.116 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000313048220 466536427 /nfs/dbraw/zinc/53/64/27/466536427.db2.gz HARHTIRRDQBVGU-OLZOCXBDSA-N 2 2 345.281 2.039 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1Br ZINC000313048220 466536432 /nfs/dbraw/zinc/53/64/32/466536432.db2.gz HARHTIRRDQBVGU-OLZOCXBDSA-N 2 2 345.281 2.039 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)c1 ZINC000313283856 466539363 /nfs/dbraw/zinc/53/93/63/466539363.db2.gz QJTFNIZWEGQZDD-ZDUSSCGKSA-N 2 2 344.242 2.299 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCCc1ccccc1 ZINC000324221175 466644875 /nfs/dbraw/zinc/64/48/75/466644875.db2.gz RUISKYDCFRAFLB-RTBURBONSA-N 2 2 329.488 2.199 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCCc1ccccc1 ZINC000324221175 466644878 /nfs/dbraw/zinc/64/48/78/466644878.db2.gz RUISKYDCFRAFLB-RTBURBONSA-N 2 2 329.488 2.199 10 0 EEAELP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000657480230 471149175 /nfs/dbraw/zinc/14/91/75/471149175.db2.gz KZFHUGRSKVBSTN-SJLPKXTDSA-N 2 2 336.476 2.037 10 0 EEAELP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000657480230 471149182 /nfs/dbraw/zinc/14/91/82/471149182.db2.gz KZFHUGRSKVBSTN-SJLPKXTDSA-N 2 2 336.476 2.037 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000369080002 466712982 /nfs/dbraw/zinc/71/29/82/466712982.db2.gz ZXJBGIBRDZRUGC-SJLPKXTDSA-N 2 2 330.407 2.053 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000369080002 466712989 /nfs/dbraw/zinc/71/29/89/466712989.db2.gz ZXJBGIBRDZRUGC-SJLPKXTDSA-N 2 2 330.407 2.053 10 0 EEAELP OC[C@@H]1CCCCN1c1cc(NC2CC([NH+]3CCCCC3)C2)nc[nH+]1 ZINC000373679259 466886562 /nfs/dbraw/zinc/88/65/62/466886562.db2.gz DZVOSZROJGEBKH-CGZBRXJRSA-N 2 2 345.491 2.257 10 0 EEAELP OC[C@@H]1CCCCN1c1cc(NC2CC([NH+]3CCCCC3)C2)[nH+]cn1 ZINC000373679259 466886566 /nfs/dbraw/zinc/88/65/66/466886566.db2.gz DZVOSZROJGEBKH-CGZBRXJRSA-N 2 2 345.491 2.257 10 0 EEAELP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417938952 466993629 /nfs/dbraw/zinc/99/36/29/466993629.db2.gz JJDWYGVROVSDDC-WKPIXPDZSA-N 2 2 342.846 2.213 10 0 EEAELP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417938952 466993634 /nfs/dbraw/zinc/99/36/34/466993634.db2.gz JJDWYGVROVSDDC-WKPIXPDZSA-N 2 2 342.846 2.213 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945489 466996903 /nfs/dbraw/zinc/99/69/03/466996903.db2.gz QZPMTLNAABQHSW-ONERCXAPSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945489 466996909 /nfs/dbraw/zinc/99/69/09/466996909.db2.gz QZPMTLNAABQHSW-ONERCXAPSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417946699 466998426 /nfs/dbraw/zinc/99/84/26/466998426.db2.gz FQYJBMKGONXVCL-XFBWCDHKSA-N 2 2 340.418 2.137 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417946699 466998430 /nfs/dbraw/zinc/99/84/30/466998430.db2.gz FQYJBMKGONXVCL-XFBWCDHKSA-N 2 2 340.418 2.137 10 0 EEAELP C[NH+]1CCC(CNc2ncnc3ccsc32)([NH+]2CCCCC2)CC1 ZINC000374168433 467022300 /nfs/dbraw/zinc/02/23/00/467022300.db2.gz WUQSDHDNUVHUFX-UHFFFAOYSA-N 2 2 345.516 3.054 10 0 EEAELP O=C(NCCC[NH2+]Cc1cccnc1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000418322355 467092286 /nfs/dbraw/zinc/09/22/86/467092286.db2.gz CRCHIQGGKZSESO-INIZCTEOSA-N 2 2 342.447 2.221 10 0 EEAELP Clc1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(-n2cncn2)c1 ZINC000377788572 467140550 /nfs/dbraw/zinc/14/05/50/467140550.db2.gz XHACERKBIKHYOA-CYBMUJFWSA-N 2 2 328.807 2.291 10 0 EEAELP Clc1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(-n2cncn2)c1 ZINC000377788572 467140554 /nfs/dbraw/zinc/14/05/54/467140554.db2.gz XHACERKBIKHYOA-CYBMUJFWSA-N 2 2 328.807 2.291 10 0 EEAELP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378063815 467189788 /nfs/dbraw/zinc/18/97/88/467189788.db2.gz XFDKZFYSJLUJFP-INIZCTEOSA-N 2 2 345.491 2.221 10 0 EEAELP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378063815 467189789 /nfs/dbraw/zinc/18/97/89/467189789.db2.gz XFDKZFYSJLUJFP-INIZCTEOSA-N 2 2 345.491 2.221 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000378068080 467190497 /nfs/dbraw/zinc/19/04/97/467190497.db2.gz IZYHWPXBFZYYIZ-CVEARBPZSA-N 2 2 347.850 2.318 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000378068080 467190501 /nfs/dbraw/zinc/19/05/01/467190501.db2.gz IZYHWPXBFZYYIZ-CVEARBPZSA-N 2 2 347.850 2.318 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000378165861 467217586 /nfs/dbraw/zinc/21/75/86/467217586.db2.gz KVNDBJLPPMXMIV-PBASOCQRSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000378165861 467217588 /nfs/dbraw/zinc/21/75/88/467217588.db2.gz KVNDBJLPPMXMIV-PBASOCQRSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378165861 467217589 /nfs/dbraw/zinc/21/75/89/467217589.db2.gz KVNDBJLPPMXMIV-PBASOCQRSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000378165861 467217592 /nfs/dbraw/zinc/21/75/92/467217592.db2.gz KVNDBJLPPMXMIV-PBASOCQRSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420388385 467390737 /nfs/dbraw/zinc/39/07/37/467390737.db2.gz WYEZAVHBZYJSTB-QMTMVMCOSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420388385 467390739 /nfs/dbraw/zinc/39/07/39/467390739.db2.gz WYEZAVHBZYJSTB-QMTMVMCOSA-N 2 2 333.451 2.467 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCc1ccc(Cl)cc1 ZINC000390943453 467417510 /nfs/dbraw/zinc/41/75/10/467417510.db2.gz LEKVJLIFIPXJLK-RDJZCZTQSA-N 2 2 335.879 2.420 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCc1ccc(Cl)cc1 ZINC000390943453 467417512 /nfs/dbraw/zinc/41/75/12/467417512.db2.gz LEKVJLIFIPXJLK-RDJZCZTQSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[NH+]1CCO ZINC000453261032 467472584 /nfs/dbraw/zinc/47/25/84/467472584.db2.gz JSSBSXKEOSFIDV-NRSPTQNISA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[NH+]1CCO ZINC000453261032 467472587 /nfs/dbraw/zinc/47/25/87/467472587.db2.gz JSSBSXKEOSFIDV-NRSPTQNISA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[N@@H+]1CCO ZINC000453261032 467472590 /nfs/dbraw/zinc/47/25/90/467472590.db2.gz JSSBSXKEOSFIDV-NRSPTQNISA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[N@H+]1CCO ZINC000453261032 467472594 /nfs/dbraw/zinc/47/25/94/467472594.db2.gz JSSBSXKEOSFIDV-NRSPTQNISA-N 2 2 345.531 2.333 10 0 EEAELP Cc1ccc(O)c(C[NH2+]CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000415140361 467499125 /nfs/dbraw/zinc/49/91/25/467499125.db2.gz YWOROSFNIYSBQH-UHFFFAOYSA-N 3 2 340.471 2.179 10 0 EEAELP C[C@@H](Cc1ccoc1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000449108182 467618475 /nfs/dbraw/zinc/61/84/75/467618475.db2.gz PYNNSEHHMOGHCC-KRWDZBQOSA-N 3 2 328.460 2.408 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449119348 467619135 /nfs/dbraw/zinc/61/91/35/467619135.db2.gz YHZBFQQVWMRDLQ-KRWDZBQOSA-N 2 2 334.460 2.438 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449119348 467619136 /nfs/dbraw/zinc/61/91/36/467619136.db2.gz YHZBFQQVWMRDLQ-KRWDZBQOSA-N 2 2 334.460 2.438 10 0 EEAELP CC(C)[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCCCCC1 ZINC000457627043 467665414 /nfs/dbraw/zinc/66/54/14/467665414.db2.gz SWJSWPBGJLYXIE-KRWDZBQOSA-N 2 2 335.496 2.162 10 0 EEAELP CC[C@@H](CC(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000457657194 467672115 /nfs/dbraw/zinc/67/21/15/467672115.db2.gz CTAPYBPNHGVLRH-LSVZVQIISA-N 2 2 343.462 2.437 10 0 EEAELP CC[C@@H](CC(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000457657194 467672119 /nfs/dbraw/zinc/67/21/19/467672119.db2.gz CTAPYBPNHGVLRH-LSVZVQIISA-N 2 2 343.462 2.437 10 0 EEAELP CC(C)[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)[NH+]1CCC(C)CC1 ZINC000457699067 467682195 /nfs/dbraw/zinc/68/21/95/467682195.db2.gz ZPWCZJJSFMHORL-KRWDZBQOSA-N 2 2 335.496 2.018 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCCOCC2)CCC[N@@H+]1C1CC1 ZINC000496988131 467770822 /nfs/dbraw/zinc/77/08/22/467770822.db2.gz LKGKWPLPVOLQQE-TXPKVOOTSA-N 2 2 332.492 2.494 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+][C@H]2CCCOCC2)CCC[N@H+]1C1CC1 ZINC000496988131 467770824 /nfs/dbraw/zinc/77/08/24/467770824.db2.gz LKGKWPLPVOLQQE-TXPKVOOTSA-N 2 2 332.492 2.494 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000459022291 467938459 /nfs/dbraw/zinc/93/84/59/467938459.db2.gz XQKDQBVOEXTQPE-UHFFFAOYSA-N 2 2 333.480 2.311 10 0 EEAELP COc1cc(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)n1 ZINC000514679690 467948205 /nfs/dbraw/zinc/94/82/05/467948205.db2.gz PUJORDIYQJVHPQ-KRWDZBQOSA-N 2 2 333.476 2.394 10 0 EEAELP COc1cc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)n1 ZINC000514679690 467948207 /nfs/dbraw/zinc/94/82/07/467948207.db2.gz PUJORDIYQJVHPQ-KRWDZBQOSA-N 2 2 333.476 2.394 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(COC)on2)[C@H](C)C1 ZINC000459417802 467958056 /nfs/dbraw/zinc/95/80/56/467958056.db2.gz RXRVMDPXMKBPKN-PBHICJAKSA-N 2 2 325.453 2.048 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(COC)on2)[C@H](C)C1 ZINC000459417802 467958059 /nfs/dbraw/zinc/95/80/59/467958059.db2.gz RXRVMDPXMKBPKN-PBHICJAKSA-N 2 2 325.453 2.048 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514938366 467964561 /nfs/dbraw/zinc/96/45/61/467964561.db2.gz GNXGQJHNQQYCIN-YRNRMSPPSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514938366 467964564 /nfs/dbraw/zinc/96/45/64/467964564.db2.gz GNXGQJHNQQYCIN-YRNRMSPPSA-N 2 2 327.472 2.428 10 0 EEAELP Cc1nc(N(C)C2CC[NH+](Cc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000488434522 468086585 /nfs/dbraw/zinc/08/65/85/468086585.db2.gz PJFGGTRCIVVSQB-UHFFFAOYSA-N 2 2 340.475 2.347 10 0 EEAELP CN1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000570331675 468623376 /nfs/dbraw/zinc/62/33/76/468623376.db2.gz KAOYRQDAHCAYDO-ZWKOTPCHSA-N 2 2 327.472 2.394 10 0 EEAELP CN1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000570331675 468623380 /nfs/dbraw/zinc/62/33/80/468623380.db2.gz KAOYRQDAHCAYDO-ZWKOTPCHSA-N 2 2 327.472 2.394 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000557481646 468633049 /nfs/dbraw/zinc/63/30/49/468633049.db2.gz PAYIJFHAKOGKMU-DYVFJYSZSA-N 2 2 330.407 2.107 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000557481646 468633052 /nfs/dbraw/zinc/63/30/52/468633052.db2.gz PAYIJFHAKOGKMU-DYVFJYSZSA-N 2 2 330.407 2.107 10 0 EEAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000592437338 468697879 /nfs/dbraw/zinc/69/78/79/468697879.db2.gz HVDJRHQEMXQZOR-KRWDZBQOSA-N 2 2 348.491 2.216 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583753595 468750601 /nfs/dbraw/zinc/75/06/01/468750601.db2.gz WFQCRTZWUDAKDS-MDYRTPRTSA-N 2 2 343.471 2.090 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583753595 468750604 /nfs/dbraw/zinc/75/06/04/468750604.db2.gz WFQCRTZWUDAKDS-MDYRTPRTSA-N 2 2 343.471 2.090 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000571223144 468757038 /nfs/dbraw/zinc/75/70/38/468757038.db2.gz RNIFTDIAMRKQDQ-QWHCGFSZSA-N 2 2 346.397 2.447 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000572759567 468988512 /nfs/dbraw/zinc/98/85/12/468988512.db2.gz JQBPAAUQBHYTDP-YOEHRIQHSA-N 2 2 343.393 2.484 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000572759567 468988518 /nfs/dbraw/zinc/98/85/18/468988518.db2.gz JQBPAAUQBHYTDP-YOEHRIQHSA-N 2 2 343.393 2.484 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000562668912 469027771 /nfs/dbraw/zinc/02/77/71/469027771.db2.gz BHPRFQHDXNNYKG-KRWDZBQOSA-N 2 2 334.460 2.174 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000562668912 469027777 /nfs/dbraw/zinc/02/77/77/469027777.db2.gz BHPRFQHDXNNYKG-KRWDZBQOSA-N 2 2 334.460 2.174 10 0 EEAELP Cc1cnc(CC[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000563061414 469156055 /nfs/dbraw/zinc/15/60/55/469156055.db2.gz IBHRZPMEERKRPB-UYAOXDASSA-N 2 2 330.520 2.199 10 0 EEAELP Cc1cnc(CC[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)c(C)c1 ZINC000563061414 469156058 /nfs/dbraw/zinc/15/60/58/469156058.db2.gz IBHRZPMEERKRPB-UYAOXDASSA-N 2 2 330.520 2.199 10 0 EEAELP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000599300019 469198399 /nfs/dbraw/zinc/19/83/99/469198399.db2.gz KYZACYALCPSNNC-DLBZAZTESA-N 2 2 340.508 2.397 10 0 EEAELP CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000599300019 469198404 /nfs/dbraw/zinc/19/84/04/469198404.db2.gz KYZACYALCPSNNC-DLBZAZTESA-N 2 2 340.508 2.397 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@]23CCCC[C@H]2C3(F)F)CC1 ZINC000611976313 469356010 /nfs/dbraw/zinc/35/60/10/469356010.db2.gz BEYXXOPJBZGFNR-NVXWUHKLSA-N 2 2 343.462 2.344 10 0 EEAELP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000612083998 469388813 /nfs/dbraw/zinc/38/88/13/469388813.db2.gz CPKCEIHWLNMZIB-CYBMUJFWSA-N 2 2 332.473 2.167 10 0 EEAELP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000612083998 469388818 /nfs/dbraw/zinc/38/88/18/469388818.db2.gz CPKCEIHWLNMZIB-CYBMUJFWSA-N 2 2 332.473 2.167 10 0 EEAELP C[NH2+]CCOCCNC(=O)Nc1c[nH+]c(N2CCCC[C@H]2C)c(C)c1 ZINC000625876173 469420775 /nfs/dbraw/zinc/42/07/75/469420775.db2.gz AGRFFWICEVMFLK-OAHLLOKOSA-N 2 2 349.479 2.126 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000626088586 469499817 /nfs/dbraw/zinc/49/98/17/469499817.db2.gz FPQQRXIGIRTDJH-KRWDZBQOSA-N 2 2 326.481 2.106 10 0 EEAELP C[C@]12CCCC[C@H]1C[N@@H+]2CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000626104981 469502062 /nfs/dbraw/zinc/50/20/62/469502062.db2.gz MZTICVGAUDSLGU-PXNSSMCTSA-N 2 2 342.487 2.385 10 0 EEAELP C[C@]12CCCC[C@H]1C[N@H+]2CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000626104981 469502066 /nfs/dbraw/zinc/50/20/66/469502066.db2.gz MZTICVGAUDSLGU-PXNSSMCTSA-N 2 2 342.487 2.385 10 0 EEAELP CC[C@H](C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)[NH+](C)C ZINC000629386215 469527171 /nfs/dbraw/zinc/52/71/71/469527171.db2.gz NKVSCPBKDXOBJE-GOSISDBHSA-N 2 2 328.460 2.152 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629540286 469574895 /nfs/dbraw/zinc/57/48/95/469574895.db2.gz VJTHICIMYPTGRI-RDBSUJKOSA-N 2 2 335.448 2.151 10 0 EEAELP COc1cc[nH+]c(CN2CCC[C@@H](C[NH3+])[C@H]2C(F)(F)F)c1OC ZINC000629581766 469583713 /nfs/dbraw/zinc/58/37/13/469583713.db2.gz HATOKDYAIDMOTK-HZMBPMFUSA-N 2 2 333.354 2.200 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584286 469584958 /nfs/dbraw/zinc/58/49/58/469584958.db2.gz OAWTVPCRVSBPDG-BGYRXZFFSA-N 2 2 329.488 2.355 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584286 469584961 /nfs/dbraw/zinc/58/49/61/469584961.db2.gz OAWTVPCRVSBPDG-BGYRXZFFSA-N 2 2 329.488 2.355 10 0 EEAELP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C ZINC000629584157 469585081 /nfs/dbraw/zinc/58/50/81/469585081.db2.gz MEEXPQYDNQLNHY-FFZOFVMBSA-N 2 2 329.488 2.412 10 0 EEAELP Cc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C ZINC000629584157 469585087 /nfs/dbraw/zinc/58/50/87/469585087.db2.gz MEEXPQYDNQLNHY-FFZOFVMBSA-N 2 2 329.488 2.412 10 0 EEAELP CC1(C(=O)N[C@H]2Cc3c[nH+]cn3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000623262315 469601402 /nfs/dbraw/zinc/60/14/02/469601402.db2.gz WYXHBRBSCKDOKT-KRWDZBQOSA-N 2 2 338.455 2.226 10 0 EEAELP C[NH+]1CC[C@@H](NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1(C)C ZINC000623574717 469699255 /nfs/dbraw/zinc/69/92/55/469699255.db2.gz VNNDLLPUWKXWKY-UXHICEINSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CC[C@@H](NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1(C)C ZINC000623574717 469699262 /nfs/dbraw/zinc/69/92/62/469699262.db2.gz VNNDLLPUWKXWKY-UXHICEINSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CCN(Cc2ccccc2)[C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623574717 469699273 /nfs/dbraw/zinc/69/92/73/469699273.db2.gz VNNDLLPUWKXWKY-UXHICEINSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CCN(Cc2ccccc2)[C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623574717 469699279 /nfs/dbraw/zinc/69/92/79/469699279.db2.gz VNNDLLPUWKXWKY-UXHICEINSA-N 2 2 344.547 2.265 10 0 EEAELP Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)C1CCC1 ZINC000630010827 469703200 /nfs/dbraw/zinc/70/32/00/469703200.db2.gz SDFIIEBFLWRPCT-QGZVFWFLSA-N 2 2 326.444 2.304 10 0 EEAELP Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)C[N@@H+](C)C1CCC1 ZINC000630010827 469703217 /nfs/dbraw/zinc/70/32/17/469703217.db2.gz SDFIIEBFLWRPCT-QGZVFWFLSA-N 2 2 326.444 2.304 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc(Cl)c1F ZINC000617764363 469795827 /nfs/dbraw/zinc/79/58/27/469795827.db2.gz SYWSXYNRUPORCJ-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc(Cl)c1F ZINC000617764363 469795831 /nfs/dbraw/zinc/79/58/31/469795831.db2.gz SYWSXYNRUPORCJ-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1scnc1C(C)(C)C ZINC000617765952 469798006 /nfs/dbraw/zinc/79/80/06/469798006.db2.gz XHWJRCRVCKGVRN-UHFFFAOYSA-N 2 2 326.510 2.054 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1scnc1C(C)(C)C ZINC000617765952 469798011 /nfs/dbraw/zinc/79/80/11/469798011.db2.gz XHWJRCRVCKGVRN-UHFFFAOYSA-N 2 2 326.510 2.054 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000627164367 469830701 /nfs/dbraw/zinc/83/07/01/469830701.db2.gz NRIJPWRKCKDKCN-DLBZAZTESA-N 2 2 333.480 2.225 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000624133740 469850499 /nfs/dbraw/zinc/85/04/99/469850499.db2.gz VPHGFJAKTGTERF-GXFFZTMASA-N 2 2 328.254 2.425 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000624133740 469850503 /nfs/dbraw/zinc/85/05/03/469850503.db2.gz VPHGFJAKTGTERF-GXFFZTMASA-N 2 2 328.254 2.425 10 0 EEAELP CC(C)n1ncnc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000631098559 470068347 /nfs/dbraw/zinc/06/83/47/470068347.db2.gz QBRANHSQZUPVGB-HNNXBMFYSA-N 2 2 329.452 2.006 10 0 EEAELP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1ccncc1 ZINC000631529446 470157321 /nfs/dbraw/zinc/15/73/21/470157321.db2.gz HGFSQVQBERUHEF-KRWDZBQOSA-N 2 2 344.503 2.252 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCc1c[nH+]c2n1CCCC2 ZINC000632943604 470293870 /nfs/dbraw/zinc/29/38/70/470293870.db2.gz ZLJBHXXBULQNDI-UHFFFAOYSA-N 2 2 335.411 2.264 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649215925 470501881 /nfs/dbraw/zinc/50/18/81/470501881.db2.gz RURRCVAUOJNOIF-DOTOQJQBSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC000649215925 470501886 /nfs/dbraw/zinc/50/18/86/470501886.db2.gz RURRCVAUOJNOIF-DOTOQJQBSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641864429 470503352 /nfs/dbraw/zinc/50/33/52/470503352.db2.gz FDLAICJCYHOCQC-ZRUQZJFASA-N 2 2 336.867 2.243 10 0 EEAELP CC[C@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000649416594 470581147 /nfs/dbraw/zinc/58/11/47/470581147.db2.gz FSHILTLWZXCBDE-IRXDYDNUSA-N 2 2 347.507 2.461 10 0 EEAELP CC[C@H]1C[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000649416594 470581154 /nfs/dbraw/zinc/58/11/54/470581154.db2.gz FSHILTLWZXCBDE-IRXDYDNUSA-N 2 2 347.507 2.461 10 0 EEAELP CN(CC[NH+]1CCCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000650670363 470935984 /nfs/dbraw/zinc/93/59/84/470935984.db2.gz JWYLDHMDGPGTNG-UHFFFAOYSA-N 2 2 345.491 2.178 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899303 471010453 /nfs/dbraw/zinc/01/04/53/471010453.db2.gz GAXXEKPAUIUSJF-FUHWJXTLSA-N 2 2 349.906 2.463 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899303 471010455 /nfs/dbraw/zinc/01/04/55/471010455.db2.gz GAXXEKPAUIUSJF-FUHWJXTLSA-N 2 2 349.906 2.463 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647899758 471010731 /nfs/dbraw/zinc/01/07/31/471010731.db2.gz VOLTYZQPLXNVCY-GDBMZVCRSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000647899758 471010734 /nfs/dbraw/zinc/01/07/34/471010734.db2.gz VOLTYZQPLXNVCY-GDBMZVCRSA-N 2 2 347.459 2.106 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903661 471012977 /nfs/dbraw/zinc/01/29/77/471012977.db2.gz NXIGNPDPOLLBSC-HKUYNNGSSA-N 2 2 345.487 2.166 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903661 471012981 /nfs/dbraw/zinc/01/29/81/471012981.db2.gz NXIGNPDPOLLBSC-HKUYNNGSSA-N 2 2 345.487 2.166 10 0 EEAELP Cc1ccc2cc(C[NH2+]C3CC[NH+](CC(=O)N(C)C)CC3)[nH]c2c1 ZINC000657356404 471110997 /nfs/dbraw/zinc/11/09/97/471110997.db2.gz LVOFMPALJPUGRX-UHFFFAOYSA-N 2 2 328.460 2.119 10 0 EEAELP CC[C@@H]1C[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CO1 ZINC000657408110 471128833 /nfs/dbraw/zinc/12/88/33/471128833.db2.gz DPVUKSKQRNILFD-JKSUJKDBSA-N 2 2 344.459 2.417 10 0 EEAELP [NH3+]CC1(CCNC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000652125742 471240356 /nfs/dbraw/zinc/24/03/56/471240356.db2.gz DIAUBNXZMMWHDG-UHFFFAOYSA-N 2 2 331.464 2.000 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C[C@H]1C[NH3+] ZINC000652357440 471278495 /nfs/dbraw/zinc/27/84/95/471278495.db2.gz PAKKJGHLEZYWCS-RHSMWYFYSA-N 2 2 331.416 2.146 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2coc(-c3ccc(OC)cc3)n2)C[C@H]1C[NH3+] ZINC000652357440 471278496 /nfs/dbraw/zinc/27/84/96/471278496.db2.gz PAKKJGHLEZYWCS-RHSMWYFYSA-N 2 2 331.416 2.146 10 0 EEAELP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244781 471291197 /nfs/dbraw/zinc/29/11/97/471291197.db2.gz VHNAZZCTLRFHAQ-MELADBBJSA-N 2 2 339.505 2.037 10 0 EEAELP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244781 471291200 /nfs/dbraw/zinc/29/12/00/471291200.db2.gz VHNAZZCTLRFHAQ-MELADBBJSA-N 2 2 339.505 2.037 10 0 EEAELP CC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344926 471291428 /nfs/dbraw/zinc/29/14/28/471291428.db2.gz SOZZCTRWIAFHMN-NRSPTQNISA-N 2 2 344.547 2.123 10 0 EEAELP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344926 471291429 /nfs/dbraw/zinc/29/14/29/471291429.db2.gz SOZZCTRWIAFHMN-NRSPTQNISA-N 2 2 344.547 2.123 10 0 EEAELP CC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344926 471291432 /nfs/dbraw/zinc/29/14/32/471291432.db2.gz SOZZCTRWIAFHMN-NRSPTQNISA-N 2 2 344.547 2.123 10 0 EEAELP CC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344926 471291433 /nfs/dbraw/zinc/29/14/33/471291433.db2.gz SOZZCTRWIAFHMN-NRSPTQNISA-N 2 2 344.547 2.123 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000655470501 471339505 /nfs/dbraw/zinc/33/95/05/471339505.db2.gz BDDDPQJAXGPJHI-KUZCPNRJSA-N 2 2 349.425 2.216 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000655470501 471339511 /nfs/dbraw/zinc/33/95/11/471339511.db2.gz BDDDPQJAXGPJHI-KUZCPNRJSA-N 2 2 349.425 2.216 10 0 EEAELP C[C@@H](NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000660636561 471425752 /nfs/dbraw/zinc/42/57/52/471425752.db2.gz VRIIPNWIIKZNHZ-LSDHHAIUSA-N 2 2 329.448 2.301 10 0 EEAELP C[C@@H](NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000660636561 471425756 /nfs/dbraw/zinc/42/57/56/471425756.db2.gz VRIIPNWIIKZNHZ-LSDHHAIUSA-N 2 2 329.448 2.301 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)Nc2cc[nH+]cc2C)cc1 ZINC000659005760 471464047 /nfs/dbraw/zinc/46/40/47/471464047.db2.gz TUQFRNOTZPNOFR-WMZOPIPTSA-N 2 2 340.427 2.088 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC/C=C/C[NH3+])c(C)c1 ZINC000669540567 471541621 /nfs/dbraw/zinc/54/16/21/471541621.db2.gz JGQRLLBWAYPIAQ-IDOMTICXSA-N 2 2 327.432 2.055 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902459 471544184 /nfs/dbraw/zinc/54/41/84/471544184.db2.gz KTFIQDJHVFJWHS-RTBURBONSA-N 2 2 332.488 2.347 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902459 471544189 /nfs/dbraw/zinc/54/41/89/471544189.db2.gz KTFIQDJHVFJWHS-RTBURBONSA-N 2 2 332.488 2.347 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000659432881 471624611 /nfs/dbraw/zinc/62/46/11/471624611.db2.gz SJYVYVVZSQRPNU-QGZVFWFLSA-N 2 2 347.507 2.491 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667045846 471633174 /nfs/dbraw/zinc/63/31/74/471633174.db2.gz PZMDUNZJOGLOLO-DJIMGWMZSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667045846 471633179 /nfs/dbraw/zinc/63/31/79/471633179.db2.gz PZMDUNZJOGLOLO-DJIMGWMZSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667045846 471633184 /nfs/dbraw/zinc/63/31/84/471633184.db2.gz PZMDUNZJOGLOLO-DJIMGWMZSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667045846 471633191 /nfs/dbraw/zinc/63/31/91/471633191.db2.gz PZMDUNZJOGLOLO-DJIMGWMZSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[N@@H+]1C ZINC000653564901 471668079 /nfs/dbraw/zinc/66/80/79/471668079.db2.gz QXISLSLMJMODFJ-YPMHNXCESA-N 2 2 332.370 2.332 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[N@H+]1C ZINC000653564901 471668083 /nfs/dbraw/zinc/66/80/83/471668083.db2.gz QXISLSLMJMODFJ-YPMHNXCESA-N 2 2 332.370 2.332 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[NH+]1C ZINC000653564901 471668087 /nfs/dbraw/zinc/66/80/87/471668087.db2.gz QXISLSLMJMODFJ-YPMHNXCESA-N 2 2 332.370 2.332 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[NH+]1C ZINC000653564901 471668093 /nfs/dbraw/zinc/66/80/93/471668093.db2.gz QXISLSLMJMODFJ-YPMHNXCESA-N 2 2 332.370 2.332 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000670080002 471671660 /nfs/dbraw/zinc/67/16/60/471671660.db2.gz KOWUXXRMWHQGAB-UHFFFAOYSA-N 2 2 333.480 2.347 10 0 EEAELP CCN(CC)C(=O)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667561994 471822779 /nfs/dbraw/zinc/82/27/79/471822779.db2.gz OVQRXWGDEZYGPX-UHFFFAOYSA-N 2 2 341.459 2.348 10 0 EEAELP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000667685349 471867280 /nfs/dbraw/zinc/86/72/80/471867280.db2.gz YTEINLXNPMSFLT-CYBMUJFWSA-N 2 2 328.416 2.094 10 0 EEAELP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000667685349 471867283 /nfs/dbraw/zinc/86/72/83/471867283.db2.gz YTEINLXNPMSFLT-CYBMUJFWSA-N 2 2 328.416 2.094 10 0 EEAELP COc1ccc(CC[N@H+](CC(C)C)C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000662255965 472045107 /nfs/dbraw/zinc/04/51/07/472045107.db2.gz SWGIPESLHKPYCN-KRWDZBQOSA-N 2 2 336.476 2.193 10 0 EEAELP COc1ccc(CC[N@@H+](CC(C)C)C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000662255965 472045109 /nfs/dbraw/zinc/04/51/09/472045109.db2.gz SWGIPESLHKPYCN-KRWDZBQOSA-N 2 2 336.476 2.193 10 0 EEAELP c1ccc(-c2nnc([C@@H]3CCC[N@H+]3C[C@H]3CCC4(C[NH2+]C4)O3)[nH]2)cc1 ZINC000662279043 472054947 /nfs/dbraw/zinc/05/49/47/472054947.db2.gz FGGAKSIGHNQQBT-CVEARBPZSA-N 2 2 339.443 2.130 10 0 EEAELP c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3C[C@H]3CCC4(C[NH2+]C4)O3)[nH]2)cc1 ZINC000662279043 472054952 /nfs/dbraw/zinc/05/49/52/472054952.db2.gz FGGAKSIGHNQQBT-CVEARBPZSA-N 2 2 339.443 2.130 10 0 EEAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662318752 472068103 /nfs/dbraw/zinc/06/81/03/472068103.db2.gz FZTCEORKUWXEAD-FUHWJXTLSA-N 2 2 333.476 2.365 10 0 EEAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662318752 472068104 /nfs/dbraw/zinc/06/81/04/472068104.db2.gz FZTCEORKUWXEAD-FUHWJXTLSA-N 2 2 333.476 2.365 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000662454651 472114816 /nfs/dbraw/zinc/11/48/16/472114816.db2.gz PTZMQIQGHHSICE-ZDUSSCGKSA-N 2 2 325.403 2.043 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000662454651 472114818 /nfs/dbraw/zinc/11/48/18/472114818.db2.gz PTZMQIQGHHSICE-ZDUSSCGKSA-N 2 2 325.403 2.043 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662508571 472133287 /nfs/dbraw/zinc/13/32/87/472133287.db2.gz WJIXWCZACSLYOQ-HOCLYGCPSA-N 2 2 327.831 2.339 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662508571 472133292 /nfs/dbraw/zinc/13/32/92/472133292.db2.gz WJIXWCZACSLYOQ-HOCLYGCPSA-N 2 2 327.831 2.339 10 0 EEAELP CC(C)([NH3+])c1cc(C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)on1 ZINC000662674955 472199920 /nfs/dbraw/zinc/19/99/20/472199920.db2.gz HQVLYRKEGKQLOT-UHFFFAOYSA-N 2 2 343.431 2.184 10 0 EEAELP CO[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000668687698 472226668 /nfs/dbraw/zinc/22/66/68/472226668.db2.gz MQJFVTDLUGMRGL-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CO[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000668687698 472226673 /nfs/dbraw/zinc/22/66/73/472226673.db2.gz MQJFVTDLUGMRGL-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc3cnccc3c2)C1=O ZINC000683774636 485636459 /nfs/dbraw/zinc/63/64/59/485636459.db2.gz DCXQRVKLZPZISR-GOSISDBHSA-N 2 2 349.438 2.249 10 0 EEAELP C[C@@H]1CC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C[NH2+]1 ZINC000629542713 485730610 /nfs/dbraw/zinc/73/06/10/485730610.db2.gz JRHWOVVPDFJGRN-QCSYZSNVSA-N 2 2 337.895 2.442 10 0 EEAELP C[C@@H]1CC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C[NH2+]1 ZINC000629542713 485730620 /nfs/dbraw/zinc/73/06/20/485730620.db2.gz JRHWOVVPDFJGRN-QCSYZSNVSA-N 2 2 337.895 2.442 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000629571066 485735411 /nfs/dbraw/zinc/73/54/11/485735411.db2.gz PHBGFBMDANUXSR-UHFFFAOYSA-N 2 2 349.456 2.207 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000629571066 485735418 /nfs/dbraw/zinc/73/54/18/485735418.db2.gz PHBGFBMDANUXSR-UHFFFAOYSA-N 2 2 349.456 2.207 10 0 EEAELP CCC1([NH+](C)C)CCN(c2nc3c(cnn3C(C)(C)C)c(N)[nH+]2)CC1 ZINC000631494610 485805982 /nfs/dbraw/zinc/80/59/82/485805982.db2.gz QVBWCRANLGSBMZ-UHFFFAOYSA-N 2 2 345.495 2.474 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)c2)cc[nH+]1 ZINC000680435653 485969785 /nfs/dbraw/zinc/96/97/85/485969785.db2.gz URYGJPRZFLMGDM-QGZVFWFLSA-N 2 2 339.443 2.221 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c2)cc[nH+]1 ZINC000680435653 485969789 /nfs/dbraw/zinc/96/97/89/485969789.db2.gz URYGJPRZFLMGDM-QGZVFWFLSA-N 2 2 339.443 2.221 10 0 EEAELP CN(C(=O)N[C@@H]1CC2CCC1CC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217736 486174617 /nfs/dbraw/zinc/17/46/17/486174617.db2.gz VNDNJZHJCWEPPN-YVZJPGBNSA-N 2 2 348.535 2.375 10 0 EEAELP CN(C(=O)N[C@@H]1CC2CCC1CC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217736 486174623 /nfs/dbraw/zinc/17/46/23/486174623.db2.gz VNDNJZHJCWEPPN-YVZJPGBNSA-N 2 2 348.535 2.375 10 0 EEAELP Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681695683 486308018 /nfs/dbraw/zinc/30/80/18/486308018.db2.gz JVFZLEGDNFOZPL-IRXDYDNUSA-N 2 2 334.485 2.172 10 0 EEAELP Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681695683 486308022 /nfs/dbraw/zinc/30/80/22/486308022.db2.gz JVFZLEGDNFOZPL-IRXDYDNUSA-N 2 2 334.485 2.172 10 0 EEAELP Cc1cccc(Cl)c1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683114369 486617628 /nfs/dbraw/zinc/61/76/28/486617628.db2.gz DWXMSXSISTVXSC-OAHLLOKOSA-N 2 2 349.906 2.476 10 0 EEAELP Cc1cccc(Cl)c1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683114369 486617631 /nfs/dbraw/zinc/61/76/31/486617631.db2.gz DWXMSXSISTVXSC-OAHLLOKOSA-N 2 2 349.906 2.476 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000174772513 527833403 /nfs/dbraw/zinc/83/34/03/527833403.db2.gz MXNCCQLXVAHCKD-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000174772513 527833407 /nfs/dbraw/zinc/83/34/07/527833407.db2.gz MXNCCQLXVAHCKD-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000174772513 527833411 /nfs/dbraw/zinc/83/34/11/527833411.db2.gz MXNCCQLXVAHCKD-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000174772513 527833414 /nfs/dbraw/zinc/83/34/14/527833414.db2.gz MXNCCQLXVAHCKD-PBHICJAKSA-N 2 2 347.459 2.074 10 0 EEAELP COc1ccc([C@@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422743105 536890474 /nfs/dbraw/zinc/89/04/74/536890474.db2.gz HWYFIDYJJFNACK-DLBZAZTESA-N 2 2 331.460 2.124 10 0 EEAELP Cn1nccc1[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796724 576300304 /nfs/dbraw/zinc/30/03/04/576300304.db2.gz MBYXHABYBZOBOH-RTBURBONSA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796724 576300307 /nfs/dbraw/zinc/30/03/07/576300307.db2.gz MBYXHABYBZOBOH-RTBURBONSA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000726796724 576300310 /nfs/dbraw/zinc/30/03/10/576300310.db2.gz MBYXHABYBZOBOH-RTBURBONSA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000726796724 576300315 /nfs/dbraw/zinc/30/03/15/576300315.db2.gz MBYXHABYBZOBOH-RTBURBONSA-N 2 2 342.487 2.092 10 0 EEAELP COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000775347791 577435628 /nfs/dbraw/zinc/43/56/28/577435628.db2.gz RVTCGUDBZVTODV-HOCLYGCPSA-N 2 2 343.431 2.224 10 0 EEAELP CN(CCC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1)c1cc[nH+]cc1 ZINC000769771318 577584018 /nfs/dbraw/zinc/58/40/18/577584018.db2.gz JBFCXHRDHIAQMD-OAHLLOKOSA-N 2 2 327.432 2.048 10 0 EEAELP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576424 684087467 /nfs/dbraw/zinc/08/74/67/684087467.db2.gz KGBWSDQFQSWGSI-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576424 684087468 /nfs/dbraw/zinc/08/74/68/684087468.db2.gz KGBWSDQFQSWGSI-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576424 684087469 /nfs/dbraw/zinc/08/74/69/684087469.db2.gz KGBWSDQFQSWGSI-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576424 684087470 /nfs/dbraw/zinc/08/74/70/684087470.db2.gz KGBWSDQFQSWGSI-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(c2nc(C)no2)C1 ZINC000257196386 684170235 /nfs/dbraw/zinc/17/02/35/684170235.db2.gz YDHGHHTXSOIAIT-HKUYNNGSSA-N 2 2 326.444 2.473 10 0 EEAELP CC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(c2nc(C)no2)C1 ZINC000257196386 684170236 /nfs/dbraw/zinc/17/02/36/684170236.db2.gz YDHGHHTXSOIAIT-HKUYNNGSSA-N 2 2 326.444 2.473 10 0 EEAELP CC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(c2nc(C)no2)C1 ZINC000257196386 684170237 /nfs/dbraw/zinc/17/02/37/684170237.db2.gz YDHGHHTXSOIAIT-HKUYNNGSSA-N 2 2 326.444 2.473 10 0 EEAELP CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(c2nc(C)no2)C1 ZINC000257196386 684170238 /nfs/dbraw/zinc/17/02/38/684170238.db2.gz YDHGHHTXSOIAIT-HKUYNNGSSA-N 2 2 326.444 2.473 10 0 EEAELP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccnnc3)cc2)CC1 ZINC000924691043 693169153 /nfs/dbraw/zinc/16/91/53/693169153.db2.gz ANTFWOMUUXSHKK-KRWDZBQOSA-N 2 2 339.487 2.465 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001485704248 1191898449 /nfs/dbraw/zinc/89/84/49/1191898449.db2.gz KUEKYVCWGJOHOY-HSFUPAIVSA-N 2 2 344.503 2.273 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)sn1 ZINC001485699188 1191904533 /nfs/dbraw/zinc/90/45/33/1191904533.db2.gz MCWUVVWYLDDMMJ-UBHSHLNASA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)sn1 ZINC001485699188 1191904535 /nfs/dbraw/zinc/90/45/35/1191904535.db2.gz MCWUVVWYLDDMMJ-UBHSHLNASA-N 2 2 347.488 2.038 10 0 EEAELP CC(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001485722039 1191909573 /nfs/dbraw/zinc/90/95/73/1191909573.db2.gz CDPYSASJMOEMIX-YOEHRIQHSA-N 2 2 335.496 2.321 10 0 EEAELP CC(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001485722039 1191909575 /nfs/dbraw/zinc/90/95/75/1191909575.db2.gz CDPYSASJMOEMIX-YOEHRIQHSA-N 2 2 335.496 2.321 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001266320524 1176250165 /nfs/dbraw/zinc/25/01/65/1176250165.db2.gz BWNZHBIGKYUNIH-PBHICJAKSA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[N@H+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001266320524 1176250203 /nfs/dbraw/zinc/25/02/03/1176250203.db2.gz BWNZHBIGKYUNIH-PBHICJAKSA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001266320524 1176250241 /nfs/dbraw/zinc/25/02/41/1176250241.db2.gz BWNZHBIGKYUNIH-PBHICJAKSA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[NH+]1CC[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001266320524 1176250262 /nfs/dbraw/zinc/25/02/62/1176250262.db2.gz BWNZHBIGKYUNIH-PBHICJAKSA-N 2 2 333.480 2.171 10 0 EEAELP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC001409924279 1192770672 /nfs/dbraw/zinc/77/06/72/1192770672.db2.gz FJVVFRXRUCNLFR-LBPRGKRZSA-N 2 2 341.858 2.367 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691058503 1177478126 /nfs/dbraw/zinc/47/81/26/1177478126.db2.gz MLJVHKFWGUMFOP-ARFHVFGLSA-N 2 2 336.455 2.196 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CCCCCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691058503 1177478130 /nfs/dbraw/zinc/47/81/30/1177478130.db2.gz MLJVHKFWGUMFOP-ARFHVFGLSA-N 2 2 336.455 2.196 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691386120 1177993299 /nfs/dbraw/zinc/99/32/99/1177993299.db2.gz MQWJNOYHNFBZPR-MRXNPFEDSA-N 2 2 344.459 2.382 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691386120 1177993305 /nfs/dbraw/zinc/99/33/05/1177993305.db2.gz MQWJNOYHNFBZPR-MRXNPFEDSA-N 2 2 344.459 2.382 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001267220737 1178529020 /nfs/dbraw/zinc/52/90/20/1178529020.db2.gz FDWMFSVBTHRYHZ-CQSZACIVSA-N 2 2 339.443 2.318 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001267220737 1178529025 /nfs/dbraw/zinc/52/90/25/1178529025.db2.gz FDWMFSVBTHRYHZ-CQSZACIVSA-N 2 2 339.443 2.318 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001267220737 1178529029 /nfs/dbraw/zinc/52/90/29/1178529029.db2.gz FDWMFSVBTHRYHZ-CQSZACIVSA-N 2 2 339.443 2.318 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001267220737 1178529034 /nfs/dbraw/zinc/52/90/34/1178529034.db2.gz FDWMFSVBTHRYHZ-CQSZACIVSA-N 2 2 339.443 2.318 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+]1CCCCC(F)(F)F ZINC001267279444 1178665337 /nfs/dbraw/zinc/66/53/37/1178665337.db2.gz FOAFWOGFKRYQKZ-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+]1CCCCC(F)(F)F ZINC001267279444 1178665343 /nfs/dbraw/zinc/66/53/43/1178665343.db2.gz FOAFWOGFKRYQKZ-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP CC1CCC(C[NH2+]CCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001267395009 1178965440 /nfs/dbraw/zinc/96/54/40/1178965440.db2.gz IOIYSJWKGWIBPA-JCYILVPMSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001481047118 1179619116 /nfs/dbraw/zinc/61/91/16/1179619116.db2.gz TVZGJRKSJBDGEM-OAHLLOKOSA-N 2 2 336.480 2.367 10 0 EEAELP CC(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001481047118 1179619121 /nfs/dbraw/zinc/61/91/21/1179619121.db2.gz TVZGJRKSJBDGEM-OAHLLOKOSA-N 2 2 336.480 2.367 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccns1)[NH+]1CCCC1 ZINC001481051024 1179630418 /nfs/dbraw/zinc/63/04/18/1179630418.db2.gz AUUVDHOLPDMTPP-AWEZNQCLSA-N 2 2 336.505 2.098 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccns1)[NH+]1CCCC1 ZINC001481051024 1179630424 /nfs/dbraw/zinc/63/04/24/1179630424.db2.gz AUUVDHOLPDMTPP-AWEZNQCLSA-N 2 2 336.505 2.098 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1)[NH+](CC)CC ZINC001481055878 1179643875 /nfs/dbraw/zinc/64/38/75/1179643875.db2.gz CWOGJZSKRDNSQP-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1)[NH+](CC)CC ZINC001481055878 1179643878 /nfs/dbraw/zinc/64/38/78/1179643878.db2.gz CWOGJZSKRDNSQP-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001481119169 1179791510 /nfs/dbraw/zinc/79/15/10/1179791510.db2.gz SAMDPGPDMQCPHH-HNAYVOBHSA-N 2 2 338.455 2.088 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001481119169 1179791517 /nfs/dbraw/zinc/79/15/17/1179791517.db2.gz SAMDPGPDMQCPHH-HNAYVOBHSA-N 2 2 338.455 2.088 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481126989 1179836833 /nfs/dbraw/zinc/83/68/33/1179836833.db2.gz XWYXAXUAWFJJQC-LJQANCHMSA-N 2 2 340.471 2.344 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC001481126989 1179836840 /nfs/dbraw/zinc/83/68/40/1179836840.db2.gz XWYXAXUAWFJJQC-LJQANCHMSA-N 2 2 340.471 2.344 10 0 EEAELP CC[C@@H](C)C[N@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001481169425 1179976883 /nfs/dbraw/zinc/97/68/83/1179976883.db2.gz ODXFOKOAJOVEFC-KDOFPFPSSA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@@H](C)C[N@@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001481169425 1179976890 /nfs/dbraw/zinc/97/68/90/1179976890.db2.gz ODXFOKOAJOVEFC-KDOFPFPSSA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@@H](C)C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001481169425 1179976893 /nfs/dbraw/zinc/97/68/93/1179976893.db2.gz ODXFOKOAJOVEFC-KDOFPFPSSA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@@H](C)C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001481169425 1179976899 /nfs/dbraw/zinc/97/68/99/1179976899.db2.gz ODXFOKOAJOVEFC-KDOFPFPSSA-N 2 2 347.507 2.417 10 0 EEAELP O=C(NCC[N@H+](Cc1ccsc1)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001481175509 1179997545 /nfs/dbraw/zinc/99/75/45/1179997545.db2.gz OKZKAXCIYPJFMP-OAHLLOKOSA-N 2 2 344.484 2.288 10 0 EEAELP O=C(NCC[N@@H+](Cc1ccsc1)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001481175509 1179997549 /nfs/dbraw/zinc/99/75/49/1179997549.db2.gz OKZKAXCIYPJFMP-OAHLLOKOSA-N 2 2 344.484 2.288 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]C[C@@H]3CCO[C@H](C)C3)ccn12 ZINC001481230043 1180364167 /nfs/dbraw/zinc/36/41/67/1180364167.db2.gz DELUVIWBHXJRPH-HZPDHXFCSA-N 2 2 344.459 2.119 10 0 EEAELP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cncs1 ZINC001267809406 1180561570 /nfs/dbraw/zinc/56/15/70/1180561570.db2.gz KXEDKAOAGCPYMC-LBPRGKRZSA-N 2 2 329.429 2.318 10 0 EEAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]CC=C(Cl)Cl ZINC001268005156 1180960428 /nfs/dbraw/zinc/96/04/28/1180960428.db2.gz KJRUPWOLLDFXBW-RYUDHWBXSA-N 2 2 333.263 2.495 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268070659 1181668946 /nfs/dbraw/zinc/66/89/46/1181668946.db2.gz JIHJTLWVJXLEHF-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268379560 1182404419 /nfs/dbraw/zinc/40/44/19/1182404419.db2.gz SNFLSKKUYGPNBB-HOCLYGCPSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001481752549 1182549372 /nfs/dbraw/zinc/54/93/72/1182549372.db2.gz DVQCMAIKZASJMW-FUHWJXTLSA-N 2 2 348.491 2.136 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001481752549 1182549380 /nfs/dbraw/zinc/54/93/80/1182549380.db2.gz DVQCMAIKZASJMW-FUHWJXTLSA-N 2 2 348.491 2.136 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001482017990 1183137153 /nfs/dbraw/zinc/13/71/53/1183137153.db2.gz IVYTXABGTHYBNK-ULQDDVLXSA-N 2 2 330.476 2.429 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C/CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001268562949 1183263438 /nfs/dbraw/zinc/26/34/38/1183263438.db2.gz ZUSPTSYVERAWOK-CWDCEQMOSA-N 2 2 330.476 2.144 10 0 EEAELP Cc1ncc(C[NH2+]C/C=C\CNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001268596602 1183448272 /nfs/dbraw/zinc/44/82/72/1183448272.db2.gz JVKKFRROBGNTSX-DHCBQETCSA-N 2 2 333.461 2.061 10 0 EEAELP Cc1ncsc1C[NH2+]C/C=C/CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268598357 1183499033 /nfs/dbraw/zinc/49/90/33/1183499033.db2.gz PSYZPNSLEKUCEL-OOPCZODUSA-N 2 2 333.461 2.061 10 0 EEAELP CCCCC[N@@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001482199479 1183874197 /nfs/dbraw/zinc/87/41/97/1183874197.db2.gz FZOADTAKVORIAA-MRXNPFEDSA-N 2 2 336.480 2.014 10 0 EEAELP CCCCC[N@H+]1CCO[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001482199479 1183874198 /nfs/dbraw/zinc/87/41/98/1183874198.db2.gz FZOADTAKVORIAA-MRXNPFEDSA-N 2 2 336.480 2.014 10 0 EEAELP O=C(N[C@H](C[NH2+]CCCF)C1CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001270412313 1185086703 /nfs/dbraw/zinc/08/67/03/1185086703.db2.gz FBQUYEXZILMCCH-JKSUJKDBSA-N 2 2 336.455 2.070 10 0 EEAELP CC(C)c1cccc(C[NH2+]C[C@H](C)N(C)C(=O)CCc2c[nH]c[nH+]2)n1 ZINC001482290712 1185113718 /nfs/dbraw/zinc/11/37/18/1185113718.db2.gz DRPHCYAWCUPGRO-HNNXBMFYSA-N 2 2 343.475 2.497 10 0 EEAELP CC(C)=CC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001270682166 1185312223 /nfs/dbraw/zinc/31/22/23/1185312223.db2.gz IWTZLKSPDVXOEF-QZTJIDSGSA-N 2 2 337.508 2.034 10 0 EEAELP CC(C)=CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001270682166 1185312230 /nfs/dbraw/zinc/31/22/30/1185312230.db2.gz IWTZLKSPDVXOEF-QZTJIDSGSA-N 2 2 337.508 2.034 10 0 EEAELP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1C ZINC001691508374 1185361535 /nfs/dbraw/zinc/36/15/35/1185361535.db2.gz MBIDIROQUOEDBX-CQSZACIVSA-N 2 2 344.459 2.154 10 0 EEAELP COc1cccc(C[NH2+]CCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1C ZINC001691508374 1185361539 /nfs/dbraw/zinc/36/15/39/1185361539.db2.gz MBIDIROQUOEDBX-CQSZACIVSA-N 2 2 344.459 2.154 10 0 EEAELP COCCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001270771065 1185378837 /nfs/dbraw/zinc/37/88/37/1185378837.db2.gz DATOYSVUXRBGFF-UHFFFAOYSA-N 2 2 330.432 2.003 10 0 EEAELP C[C@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271227057 1186091881 /nfs/dbraw/zinc/09/18/81/1186091881.db2.gz LYIADHMTNFQOER-OAHLLOKOSA-N 2 2 332.423 2.092 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cscn1 ZINC001271599018 1186334629 /nfs/dbraw/zinc/33/46/29/1186334629.db2.gz GDMBFNRFIXBBMS-HNNXBMFYSA-N 2 2 347.488 2.278 10 0 EEAELP CC/C(C)=C/C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001271911327 1186613660 /nfs/dbraw/zinc/61/36/60/1186613660.db2.gz DVWLUSJOHBPVNK-RABPLZDSSA-N 2 2 337.508 2.080 10 0 EEAELP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482934420 1187853669 /nfs/dbraw/zinc/85/36/69/1187853669.db2.gz CYKSUVAVARSAQW-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP C[C@@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC001483100123 1188477417 /nfs/dbraw/zinc/47/74/17/1188477417.db2.gz AEJRSZQMJOJKNW-WOMSROEHSA-N 2 2 338.455 2.395 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001272873047 1193587840 /nfs/dbraw/zinc/58/78/40/1193587840.db2.gz FOJUMDINQPKPOE-SJLPKXTDSA-N 2 2 340.471 2.173 10 0 EEAELP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001485887636 1193630021 /nfs/dbraw/zinc/63/00/21/1193630021.db2.gz DSSHTNZLXABMJD-RHSMWYFYSA-N 2 2 347.463 2.403 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001409579132 1190063690 /nfs/dbraw/zinc/06/36/90/1190063690.db2.gz KHBQSRYBOUYBDY-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001409579132 1190063692 /nfs/dbraw/zinc/06/36/92/1190063692.db2.gz KHBQSRYBOUYBDY-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001483392503 1190437018 /nfs/dbraw/zinc/43/70/18/1190437018.db2.gz ZHHYCLLRISYVBA-CHWSQXEVSA-N 2 2 333.436 2.076 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001483392503 1190437022 /nfs/dbraw/zinc/43/70/22/1190437022.db2.gz ZHHYCLLRISYVBA-CHWSQXEVSA-N 2 2 333.436 2.076 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]C[C@@H]2CCCC(F)(F)C2)CC1 ZINC001483770678 1191005173 /nfs/dbraw/zinc/00/51/73/1191005173.db2.gz CMRBSRLNNKUYAV-GFCCVEGCSA-N 2 2 326.391 2.016 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)C1C[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC001483873331 1191103242 /nfs/dbraw/zinc/10/32/42/1191103242.db2.gz SHJXEZVMXZGSPL-LJQANCHMSA-N 2 2 338.455 2.493 10 0 EEAELP C[C@H](CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccns1)n1cc[nH+]c1 ZINC001483946346 1191126714 /nfs/dbraw/zinc/12/67/14/1191126714.db2.gz OOTVRTAKIQDPAU-CABCVRRESA-N 2 2 347.488 2.114 10 0 EEAELP C[C@H](CC(=O)N1CC[C@](C)(C[NH2+]CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001484113478 1191214298 /nfs/dbraw/zinc/21/42/98/1191214298.db2.gz GNRGHVRKJQOHPH-VQIMIIECSA-N 2 2 348.491 2.089 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3C[C@H](C)[C@@H](C[NH2+]CCCF)C3)ccn12 ZINC001484367551 1191320268 /nfs/dbraw/zinc/32/02/68/1191320268.db2.gz GHQXAJOYYJEUSB-BBRMVZONSA-N 2 2 332.423 2.300 10 0 EEAELP CC(C)OCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001484471151 1191375498 /nfs/dbraw/zinc/37/54/98/1191375498.db2.gz IIMFIPQFVUXBLQ-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001484471151 1191375499 /nfs/dbraw/zinc/37/54/99/1191375499.db2.gz IIMFIPQFVUXBLQ-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]C[C@@H]2CCC(F)(F)C2)CCC1 ZINC001484646308 1191452775 /nfs/dbraw/zinc/45/27/75/1191452775.db2.gz OHKKRMLFOWNMKP-CQSZACIVSA-N 2 2 340.418 2.337 10 0 EEAELP CCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484819138 1191539337 /nfs/dbraw/zinc/53/93/37/1191539337.db2.gz HSEJYZPTNIOVGU-HOCLYGCPSA-N 2 2 348.491 2.189 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001485154338 1191667776 /nfs/dbraw/zinc/66/77/76/1191667776.db2.gz DBSKMVHULDALDY-KBPBESRZSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001485154338 1191667777 /nfs/dbraw/zinc/66/77/77/1191667777.db2.gz DBSKMVHULDALDY-KBPBESRZSA-N 2 2 332.423 2.473 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001485235431 1191701267 /nfs/dbraw/zinc/70/12/67/1191701267.db2.gz WYOGEZILIXUMPY-NFXOHUDVSA-N 2 2 326.444 2.469 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1cscn1)CC2 ZINC001486153178 1193703420 /nfs/dbraw/zinc/70/34/20/1193703420.db2.gz CMMOAVXPKGPYBY-DOTOQJQBSA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1cscn1)CC2 ZINC001486153178 1193703422 /nfs/dbraw/zinc/70/34/22/1193703422.db2.gz CMMOAVXPKGPYBY-DOTOQJQBSA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC001486153178 1193703423 /nfs/dbraw/zinc/70/34/23/1193703423.db2.gz CMMOAVXPKGPYBY-DOTOQJQBSA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC001486153178 1193703425 /nfs/dbraw/zinc/70/34/25/1193703425.db2.gz CMMOAVXPKGPYBY-DOTOQJQBSA-N 2 2 336.505 2.097 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@H+](C[C@@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC001486516458 1194021626 /nfs/dbraw/zinc/02/16/26/1194021626.db2.gz IGEOMKRHBPCGQT-WMZOPIPTSA-N 2 2 346.475 2.009 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@@H+](C[C@@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC001486516458 1194021628 /nfs/dbraw/zinc/02/16/28/1194021628.db2.gz IGEOMKRHBPCGQT-WMZOPIPTSA-N 2 2 346.475 2.009 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001409950486 1194195769 /nfs/dbraw/zinc/19/57/69/1194195769.db2.gz TWJZTUODQGWFLV-CQSZACIVSA-N 2 2 344.459 2.106 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1 ZINC001409950486 1194195771 /nfs/dbraw/zinc/19/57/71/1194195771.db2.gz TWJZTUODQGWFLV-CQSZACIVSA-N 2 2 344.459 2.106 10 0 EEAELP CCc1ccc(C[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001409980444 1196130837 /nfs/dbraw/zinc/13/08/37/1196130837.db2.gz VOJMMRRZKRRYPH-HNNXBMFYSA-N 2 2 326.444 2.082 10 0 EEAELP CCOCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCn3cc[nH+]c3)C2)CC1 ZINC001691690472 1197507734 /nfs/dbraw/zinc/50/77/34/1197507734.db2.gz RWJZVUXPXZCDJO-QGZVFWFLSA-N 2 2 348.491 2.013 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001273275397 1197943929 /nfs/dbraw/zinc/94/39/29/1197943929.db2.gz CDJQDNXXUBTBLI-QDLOVBKTSA-N 2 2 342.443 2.350 10 0 EEAELP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]CC1CC2(CCC2)C1 ZINC001410495957 1198050040 /nfs/dbraw/zinc/05/00/40/1198050040.db2.gz SLWAREPOAARCTF-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP O=c1[nH]ccc2oc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc21 ZINC000865468819 1198234178 /nfs/dbraw/zinc/23/41/78/1198234178.db2.gz KSNBQGVLGYQYKI-ZDUSSCGKSA-N 2 2 331.416 2.124 10 0 EEAELP CN(C(=O)N[C@@H]1CCCC[C@@H]1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000876004937 1199469722 /nfs/dbraw/zinc/46/97/22/1199469722.db2.gz VJJWGEPZBCVYSX-IXDOHACOSA-N 2 2 340.487 2.077 10 0 EEAELP CN(C(=O)N[C@@H]1CCCC[C@@H]1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000876004937 1199469728 /nfs/dbraw/zinc/46/97/28/1199469728.db2.gz VJJWGEPZBCVYSX-IXDOHACOSA-N 2 2 340.487 2.077 10 0 EEAELP CC(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870863341 1200918222 /nfs/dbraw/zinc/91/82/22/1200918222.db2.gz BGFZWDFNGAXKTN-AWEZNQCLSA-N 2 2 340.265 2.002 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)C[N@@H+]1C1CC1 ZINC000868382870 1201803582 /nfs/dbraw/zinc/80/35/82/1201803582.db2.gz NFTWKUBNCSUCID-DDUZABMNSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2c3ccccc3C[NH+]2C)C[N@H+]1C1CC1 ZINC000868382870 1201803584 /nfs/dbraw/zinc/80/35/84/1201803584.db2.gz NFTWKUBNCSUCID-DDUZABMNSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)C[NH+]1C1CC1 ZINC000868382870 1201803587 /nfs/dbraw/zinc/80/35/87/1201803587.db2.gz NFTWKUBNCSUCID-DDUZABMNSA-N 2 2 328.460 2.098 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)C[NH+]1C1CC1 ZINC000868382870 1201803590 /nfs/dbraw/zinc/80/35/90/1201803590.db2.gz NFTWKUBNCSUCID-DDUZABMNSA-N 2 2 328.460 2.098 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001691729996 1204234980 /nfs/dbraw/zinc/23/49/80/1204234980.db2.gz ZZCJGKZLYOQWJO-GASCZTMLSA-N 2 2 347.850 2.006 10 0 EEAELP CC1CCC(C[NH2+]C/C=C/CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001274543612 1205075245 /nfs/dbraw/zinc/07/52/45/1205075245.db2.gz GYYYZIQBPWRTDK-ONEGZZNKSA-N 2 2 332.492 2.441 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925667700 1206142106 /nfs/dbraw/zinc/14/21/06/1206142106.db2.gz DWRNCOJMPYHJCF-NZSAHSFTSA-N 3 2 346.519 2.278 10 0 EEAELP C[C@H](NCc1cc(N)cc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000925772697 1206152563 /nfs/dbraw/zinc/15/25/63/1206152563.db2.gz VPTHCFXQFVRTOY-KXBFYZLASA-N 2 2 326.444 2.043 10 0 EEAELP C[C@H](NCc1cc(N)cc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000925772697 1206152565 /nfs/dbraw/zinc/15/25/65/1206152565.db2.gz VPTHCFXQFVRTOY-KXBFYZLASA-N 2 2 326.444 2.043 10 0 EEAELP Cc1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c(Cl)cc1F ZINC000926116585 1206194351 /nfs/dbraw/zinc/19/43/51/1206194351.db2.gz XGAIMCMOQGQRSW-UHFFFAOYSA-N 2 2 328.819 2.332 10 0 EEAELP CC(=O)NCCCCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929799515 1206503160 /nfs/dbraw/zinc/50/31/60/1206503160.db2.gz VWTRQBDTZUKSGX-UHFFFAOYSA-N 2 2 346.519 2.327 10 0 EEAELP CC(=O)NCCCCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929799515 1206503162 /nfs/dbraw/zinc/50/31/62/1206503162.db2.gz VWTRQBDTZUKSGX-UHFFFAOYSA-N 2 2 346.519 2.327 10 0 EEAELP O[C@H](CC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1 ZINC000929803222 1206503710 /nfs/dbraw/zinc/50/37/10/1206503710.db2.gz FGQVSESXPHFARV-ZWKOTPCHSA-N 2 2 329.444 2.464 10 0 EEAELP C([C@H]1COC2(CCCCC2)O1)[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001412984506 1216362981 /nfs/dbraw/zinc/36/29/81/1216362981.db2.gz SVPMKDUWDCGDTA-MSOLQXFVSA-N 2 2 338.492 2.249 10 0 EEAELP C([C@H]1COC2(CCCCC2)O1)[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001412984506 1216362985 /nfs/dbraw/zinc/36/29/85/1216362985.db2.gz SVPMKDUWDCGDTA-MSOLQXFVSA-N 2 2 338.492 2.249 10 0 EEAELP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900523037 1234441134 /nfs/dbraw/zinc/44/11/34/1234441134.db2.gz LMAHTLWASKOOBD-SFHVURJKSA-N 2 2 341.459 2.161 10 0 EEAELP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H](C)[NH+]1CCOCC1 ZINC000900590597 1234526221 /nfs/dbraw/zinc/52/62/21/1234526221.db2.gz FURBICFGFUVKCQ-HUUCEWRRSA-N 2 2 344.459 2.130 10 0 EEAELP C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900713399 1234692283 /nfs/dbraw/zinc/69/22/83/1234692283.db2.gz ZYUDHOITLJGQNG-INIZCTEOSA-N 2 2 341.459 2.019 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2cccnc2)C1 ZINC000902953253 1239178367 /nfs/dbraw/zinc/17/83/67/1239178367.db2.gz BUQGUMBHAIMKMN-VQTJNVASSA-N 2 2 325.456 2.412 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CCc2ccccc2)c2cccnc2)C1 ZINC000902953253 1239178374 /nfs/dbraw/zinc/17/83/74/1239178374.db2.gz BUQGUMBHAIMKMN-VQTJNVASSA-N 2 2 325.456 2.412 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCc2c(F)cccc2F)C1 ZINC001491024952 1258583413 /nfs/dbraw/zinc/58/34/13/1258583413.db2.gz SOBGSYFJIAUGAG-OKILXGFUSA-N 2 2 348.397 2.100 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]CCc2c(F)cccc2F)C1 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C[C@H](C[NH2+]CCC1CCOCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321562448 1333124497 /nfs/dbraw/zinc/12/44/97/1333124497.db2.gz DAFGAMHBTKQLQU-CYBMUJFWSA-N 2 2 330.432 2.088 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001324628502 1333727138 /nfs/dbraw/zinc/72/71/38/1333727138.db2.gz MADHUTWKKMGVSG-LIHUFFQZSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001324628502 1333727140 /nfs/dbraw/zinc/72/71/40/1333727140.db2.gz MADHUTWKKMGVSG-LIHUFFQZSA-N 2 2 330.476 2.382 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCO[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001327018444 1334204764 /nfs/dbraw/zinc/20/47/64/1334204764.db2.gz MJIKSNBDVDXTKX-SFHVURJKSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@H](CC(=O)NC1CC(C[NH2+]CCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001328928207 1334549916 /nfs/dbraw/zinc/54/99/16/1334549916.db2.gz PNQZHUQBKNCWEU-FAEJEUNOSA-N 2 2 348.491 2.135 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)C1CCC([NH2+]CCCF)CC1 ZINC001329239880 1334613121 /nfs/dbraw/zinc/61/31/21/1334613121.db2.gz AYLAHDGMSGRGBI-UHFFFAOYSA-N 2 2 337.439 2.352 10 0 EEAELP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001329308453 1334624422 /nfs/dbraw/zinc/62/44/22/1334624422.db2.gz WRSXMWWTTMMDBA-MRXNPFEDSA-N 2 2 332.492 2.486 10 0 EEAELP CCOCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001330599904 1334875736 /nfs/dbraw/zinc/87/57/36/1334875736.db2.gz VESAVABSPZWIGL-JCNLHEQBSA-N 2 2 344.459 2.167 10 0 EEAELP CC(C)COCC[NH2+]C1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001333095466 1335961841 /nfs/dbraw/zinc/96/18/41/1335961841.db2.gz QQOKLGCHOFFCJI-UHFFFAOYSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@H+](Cc2ccccn2)CC1)n1cc[nH+]c1 ZINC001333418037 1336040756 /nfs/dbraw/zinc/04/07/56/1336040756.db2.gz UYNLKELTVJLEKA-INIZCTEOSA-N 2 2 339.443 2.178 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@@H+](Cc2ccccn2)CC1)n1cc[nH+]c1 ZINC001333418037 1336040761 /nfs/dbraw/zinc/04/07/61/1336040761.db2.gz UYNLKELTVJLEKA-INIZCTEOSA-N 2 2 339.443 2.178 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001665880310 1355403572 /nfs/dbraw/zinc/40/35/72/1355403572.db2.gz VUERKYOYPGVEOL-VXGBXAGGSA-N 2 2 347.290 2.329 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001668614041 1355972923 /nfs/dbraw/zinc/97/29/23/1355972923.db2.gz IAPKOBQFHOFTTL-UHFFFAOYSA-N 2 2 332.423 2.465 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CCc1ccc(C)cc1 ZINC001669162515 1356112840 /nfs/dbraw/zinc/11/28/40/1356112840.db2.gz PMWZUDKNBPWQOQ-ONEGZZNKSA-N 2 2 326.444 2.074 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001436356759 1342049109 /nfs/dbraw/zinc/04/91/09/1342049109.db2.gz LMWODSPUZLUCEH-DZVNLGKHSA-N 2 2 330.476 2.194 10 0 EEAELP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001566940444 1342655846 /nfs/dbraw/zinc/65/58/46/1342655846.db2.gz IJKBUSYAELBHMD-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP CC(C)CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001567099335 1342693745 /nfs/dbraw/zinc/69/37/45/1342693745.db2.gz MDRHCVAVFPNFEM-INIZCTEOSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CCC[NH2+]Cc2ccns2)c[nH+]1 ZINC001675920969 1357069700 /nfs/dbraw/zinc/06/97/00/1357069700.db2.gz UGECXFFUNAZDHF-CYBMUJFWSA-N 2 2 349.504 2.458 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC001567386615 1342751078 /nfs/dbraw/zinc/75/10/78/1342751078.db2.gz KCMDLBLLHCJOLB-CHWSQXEVSA-N 2 2 345.274 2.048 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC001567386615 1342751081 /nfs/dbraw/zinc/75/10/81/1342751081.db2.gz KCMDLBLLHCJOLB-CHWSQXEVSA-N 2 2 345.274 2.048 10 0 EEAELP O=C(CCC[NH+]1CCCC1)NC1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001567818990 1342844934 /nfs/dbraw/zinc/84/49/34/1342844934.db2.gz WYEQGBRQKKFGNX-ZDUSSCGKSA-N 2 2 348.318 2.247 10 0 EEAELP CC(C)COCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001571332059 1343185748 /nfs/dbraw/zinc/18/57/48/1343185748.db2.gz QZNFBPONJUCKMS-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)COCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001571332059 1343185752 /nfs/dbraw/zinc/18/57/52/1343185752.db2.gz QZNFBPONJUCKMS-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)COCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001571332059 1343185755 /nfs/dbraw/zinc/18/57/55/1343185755.db2.gz QZNFBPONJUCKMS-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)COCC[N@@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001571332059 1343185759 /nfs/dbraw/zinc/18/57/59/1343185759.db2.gz QZNFBPONJUCKMS-IAGOWNOFSA-N 2 2 348.491 2.109 10 0 EEAELP C[C@H](F)CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC001571637349 1343257206 /nfs/dbraw/zinc/25/72/06/1343257206.db2.gz UOBBBTNXQWEERZ-DZGCQCFKSA-N 2 2 326.460 2.221 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCOc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001676651434 1357174933 /nfs/dbraw/zinc/17/49/33/1357174933.db2.gz YJJWTMYJWWZJNN-MAUKXSAKSA-N 2 2 342.443 2.000 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCOc2ccccc2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001676651434 1357174936 /nfs/dbraw/zinc/17/49/36/1357174936.db2.gz YJJWTMYJWWZJNN-MAUKXSAKSA-N 2 2 342.443 2.000 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC001676819619 1357212531 /nfs/dbraw/zinc/21/25/31/1357212531.db2.gz AFXXEQZQFWHMJU-JROGSOPMSA-N 2 2 330.476 2.432 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC001676819619 1357212536 /nfs/dbraw/zinc/21/25/36/1357212536.db2.gz AFXXEQZQFWHMJU-JROGSOPMSA-N 2 2 330.476 2.432 10 0 EEAELP Cc1conc1C[N@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001677632269 1357378838 /nfs/dbraw/zinc/37/88/38/1357378838.db2.gz JSQGBCYKPPCHQL-HOTGVXAUSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1conc1C[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001677632269 1357378842 /nfs/dbraw/zinc/37/88/42/1357378842.db2.gz JSQGBCYKPPCHQL-HOTGVXAUSA-N 2 2 346.475 2.104 10 0 EEAELP CCNc1cc(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc[nH+]1 ZINC001646940574 1353060586 /nfs/dbraw/zinc/06/05/86/1353060586.db2.gz PWCZHDPQOFKUHZ-HNNXBMFYSA-N 2 2 333.480 2.433 10 0 EEAELP CCNc1cc(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc[nH+]1 ZINC001646940574 1353060589 /nfs/dbraw/zinc/06/05/89/1353060589.db2.gz PWCZHDPQOFKUHZ-HNNXBMFYSA-N 2 2 333.480 2.433 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CCF ZINC001649434617 1353502039 /nfs/dbraw/zinc/50/20/39/1353502039.db2.gz IMWPLEMXUYWXRU-ZBFHGGJFSA-N 2 2 337.439 2.209 10 0 EEAELP CCNc1cc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)cc[nH+]1 ZINC001650534508 1353977445 /nfs/dbraw/zinc/97/74/45/1353977445.db2.gz DIWBTULRNNLCPW-UHFFFAOYSA-N 2 2 333.480 2.435 10 0 EEAELP CN(C)c1ccc(NC(=O)CC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC001655565010 1354178105 /nfs/dbraw/zinc/17/81/05/1354178105.db2.gz IRIJJOPRWPJERO-ZWKOTPCHSA-N 2 2 330.476 2.250 10 0 EEAELP CN(C)c1ccc(NC(=O)CC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC001655565010 1354178110 /nfs/dbraw/zinc/17/81/10/1354178110.db2.gz IRIJJOPRWPJERO-ZWKOTPCHSA-N 2 2 330.476 2.250 10 0 EEAELP CN(C)c1ccc(NC(=O)CC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC001655565010 1354178115 /nfs/dbraw/zinc/17/81/15/1354178115.db2.gz IRIJJOPRWPJERO-ZWKOTPCHSA-N 2 2 330.476 2.250 10 0 EEAELP CN(C)c1ccc(NC(=O)CC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC001655565010 1354178118 /nfs/dbraw/zinc/17/81/18/1354178118.db2.gz IRIJJOPRWPJERO-ZWKOTPCHSA-N 2 2 330.476 2.250 10 0 EEAELP Cc1nocc1C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001656112687 1354204379 /nfs/dbraw/zinc/20/43/79/1354204379.db2.gz ICHQUFSJOQVMHV-GOSISDBHSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1nocc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001656112687 1354204380 /nfs/dbraw/zinc/20/43/80/1354204380.db2.gz ICHQUFSJOQVMHV-GOSISDBHSA-N 2 2 348.491 2.282 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001656166687 1354209987 /nfs/dbraw/zinc/20/99/87/1354209987.db2.gz IXNRIBHXQCXJOH-CALCHBBNSA-N 2 2 326.444 2.069 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)c2ccc3c[nH+]cn3c2C)co1 ZINC001660202864 1354415893 /nfs/dbraw/zinc/41/58/93/1354415893.db2.gz CMYCXVWAPBASTM-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)c2ccc3c[nH+]cn3c2C)co1 ZINC001660202864 1354415896 /nfs/dbraw/zinc/41/58/96/1354415896.db2.gz CMYCXVWAPBASTM-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP C[C@](O)(C[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)C(F)F ZINC001660342390 1354444352 /nfs/dbraw/zinc/44/43/52/1354444352.db2.gz GMSIJZBSWYYRKN-SFHVURJKSA-N 2 2 342.430 2.227 10 0 EEAELP C[C@](O)(C[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1)C(F)F ZINC001660342390 1354444355 /nfs/dbraw/zinc/44/43/55/1354444355.db2.gz GMSIJZBSWYYRKN-SFHVURJKSA-N 2 2 342.430 2.227 10 0 EEAELP C[C@](O)(C[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1)C(F)F ZINC001660342390 1354444356 /nfs/dbraw/zinc/44/43/56/1354444356.db2.gz GMSIJZBSWYYRKN-SFHVURJKSA-N 2 2 342.430 2.227 10 0 EEAELP C[C@](O)(C[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1)C(F)F ZINC001660342390 1354444359 /nfs/dbraw/zinc/44/43/59/1354444359.db2.gz GMSIJZBSWYYRKN-SFHVURJKSA-N 2 2 342.430 2.227 10 0 EEAELP CC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H](C)COC ZINC001660529047 1354481981 /nfs/dbraw/zinc/48/19/81/1354481981.db2.gz KRTNQZLLEROEIA-HNNXBMFYSA-N 2 2 332.448 2.119 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)[C@@H](C)COC ZINC001660529047 1354481983 /nfs/dbraw/zinc/48/19/83/1354481983.db2.gz KRTNQZLLEROEIA-HNNXBMFYSA-N 2 2 332.448 2.119 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC001660550533 1354487443 /nfs/dbraw/zinc/48/74/43/1354487443.db2.gz IYTFCRHIZWBLOV-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1 ZINC001660550533 1354487446 /nfs/dbraw/zinc/48/74/46/1354487446.db2.gz IYTFCRHIZWBLOV-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C[N@H+](C)CCCCCF)C1 ZINC001661231102 1354612860 /nfs/dbraw/zinc/61/28/60/1354612860.db2.gz DLRPAMBDZZLOJS-MRXNPFEDSA-N 2 2 338.471 2.273 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C[N@@H+](C)CCCCCF)C1 ZINC001661231102 1354612864 /nfs/dbraw/zinc/61/28/64/1354612864.db2.gz DLRPAMBDZZLOJS-MRXNPFEDSA-N 2 2 338.471 2.273 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CC[C@@H]1CC1(Cl)Cl ZINC001663447642 1354963434 /nfs/dbraw/zinc/96/34/34/1354963434.db2.gz SHLQGGIHZLPOMV-GFCCVEGCSA-N 2 2 347.290 2.283 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CC[C@@H]1CC1(Cl)Cl ZINC001663447642 1354963437 /nfs/dbraw/zinc/96/34/37/1354963437.db2.gz SHLQGGIHZLPOMV-GFCCVEGCSA-N 2 2 347.290 2.283 10 0 EEAELP CN(CC[NH2+]CCC1CCCC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001663944417 1355059030 /nfs/dbraw/zinc/05/90/30/1355059030.db2.gz UHVGNQZJZYYSLL-UHFFFAOYSA-N 2 2 332.492 2.390 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CC1CC1 ZINC001664510339 1355180975 /nfs/dbraw/zinc/18/09/75/1355180975.db2.gz FFUDIOLAUWSKKQ-GOSISDBHSA-N 2 2 347.507 2.417 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CC1CC1 ZINC001664510339 1355180979 /nfs/dbraw/zinc/18/09/79/1355180979.db2.gz FFUDIOLAUWSKKQ-GOSISDBHSA-N 2 2 347.507 2.417 10 0 EEAELP CC(C)[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)CC1CC1 ZINC001664510339 1355180986 /nfs/dbraw/zinc/18/09/86/1355180986.db2.gz FFUDIOLAUWSKKQ-GOSISDBHSA-N 2 2 347.507 2.417 10 0 EEAELP CC(C)[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)CC1CC1 ZINC001664510339 1355180991 /nfs/dbraw/zinc/18/09/91/1355180991.db2.gz FFUDIOLAUWSKKQ-GOSISDBHSA-N 2 2 347.507 2.417 10 0 EEAELP C[C@@H]1CCCC[C@]1(C[NH2+]CCC(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001666069887 1355440578 /nfs/dbraw/zinc/44/05/78/1355440578.db2.gz XCEDHTUJOOSARY-UKRRQHHQSA-N 2 2 346.397 2.490 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001666120485 1355457858 /nfs/dbraw/zinc/45/78/58/1355457858.db2.gz VLGCYVKQIDBAKH-QZTJIDSGSA-N 2 2 344.503 2.464 10 0 EEAELP COCCC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001666125432 1355460185 /nfs/dbraw/zinc/46/01/85/1355460185.db2.gz URUPEWDEEBWTGZ-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCc1ccc(C[NH2+]Cc2cncs2)cc1 ZINC001666343991 1355514240 /nfs/dbraw/zinc/51/42/40/1355514240.db2.gz ADHVLJNLTWBWSN-UHFFFAOYSA-N 2 2 341.440 2.015 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cc2ccccc2o1 ZINC001666673852 1355563836 /nfs/dbraw/zinc/56/38/36/1355563836.db2.gz XMIOHFKFKKFDGC-CQSZACIVSA-N 2 2 326.400 2.171 10 0 EEAELP C[C@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001667003567 1355630989 /nfs/dbraw/zinc/63/09/89/1355630989.db2.gz YGZBIRNRZFWFQS-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001668895375 1356039123 /nfs/dbraw/zinc/03/91/23/1356039123.db2.gz YVGITFITWSBWLI-CKBPIOJVSA-N 2 2 338.455 2.469 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(F)cc1F ZINC001668935190 1356049651 /nfs/dbraw/zinc/04/96/51/1356049651.db2.gz DRWLLGDRAZRXRJ-RDFMZFSFSA-N 2 2 348.397 2.493 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)n1 ZINC001669063189 1356080237 /nfs/dbraw/zinc/08/02/37/1356080237.db2.gz GMOICHWCFCKGKU-AWFCHZOYSA-N 2 2 341.459 2.308 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001669080404 1356088048 /nfs/dbraw/zinc/08/80/48/1356088048.db2.gz ONXFCPVVXIKGFO-GWSUEFFPSA-N 2 2 340.418 2.286 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001669080404 1356088051 /nfs/dbraw/zinc/08/80/51/1356088051.db2.gz ONXFCPVVXIKGFO-GWSUEFFPSA-N 2 2 340.418 2.286 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC001669137876 1356104604 /nfs/dbraw/zinc/10/46/04/1356104604.db2.gz FKVATGDANKVNEZ-NQHOJNORSA-N 2 2 330.407 2.125 10 0 EEAELP Cc1cc(C)n(CC[NH2+]C[C@H](C)NC(=O)c2c(C)cc(C)[nH+]c2C)n1 ZINC001669617778 1356185091 /nfs/dbraw/zinc/18/50/91/1356185091.db2.gz HGEAQZSPHUNSBX-HNNXBMFYSA-N 2 2 343.475 2.228 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc2ncccc2c1)NC(=O)Cn1cc[nH+]c1 ZINC001669937310 1356243390 /nfs/dbraw/zinc/24/33/90/1356243390.db2.gz YAJYZSPYBOCVFZ-OAHLLOKOSA-N 2 2 337.427 2.068 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc2ncccc2c1)NC(=O)Cn1cc[nH+]c1 ZINC001669937310 1356243399 /nfs/dbraw/zinc/24/33/99/1356243399.db2.gz YAJYZSPYBOCVFZ-OAHLLOKOSA-N 2 2 337.427 2.068 10 0 EEAELP CCc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)o1 ZINC001670129896 1356281764 /nfs/dbraw/zinc/28/17/64/1356281764.db2.gz GLPBTMNPUCVQRG-ZIAGYGMSSA-N 2 2 345.447 2.010 10 0 EEAELP COCCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001671297820 1356327691 /nfs/dbraw/zinc/32/76/91/1356327691.db2.gz GTPWXVXTZPBAHW-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001671390726 1356334113 /nfs/dbraw/zinc/33/41/13/1356334113.db2.gz SIZFKCVUNMBMJN-MSOLQXFVSA-N 2 2 348.491 2.203 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001672901420 1356610802 /nfs/dbraw/zinc/61/08/02/1356610802.db2.gz GXPRPCHKXDDBMQ-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP C[N@H+](CC(=O)NC[C@@H]1COCC[NH+]1CCC1=CCCCC1)C1CCC1 ZINC001673049108 1356637601 /nfs/dbraw/zinc/63/76/01/1356637601.db2.gz JVROAXFPPAIXJP-LJQANCHMSA-N 2 2 349.519 2.178 10 0 EEAELP C[N@@H+](CC(=O)NC[C@@H]1COCC[NH+]1CCC1=CCCCC1)C1CCC1 ZINC001673049108 1356637605 /nfs/dbraw/zinc/63/76/05/1356637605.db2.gz JVROAXFPPAIXJP-LJQANCHMSA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+](CC(=O)NC[C@@H]1COCC[N@@H+]1CCC1=CCCCC1)C1CCC1 ZINC001673049108 1356637610 /nfs/dbraw/zinc/63/76/10/1356637610.db2.gz JVROAXFPPAIXJP-LJQANCHMSA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+](CC(=O)NC[C@@H]1COCC[N@H+]1CCC1=CCCCC1)C1CCC1 ZINC001673049108 1356637614 /nfs/dbraw/zinc/63/76/14/1356637614.db2.gz JVROAXFPPAIXJP-LJQANCHMSA-N 2 2 349.519 2.178 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001674134988 1356794837 /nfs/dbraw/zinc/79/48/37/1356794837.db2.gz OILWHZIXVWJSFR-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001674134988 1356794838 /nfs/dbraw/zinc/79/48/38/1356794838.db2.gz OILWHZIXVWJSFR-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC001674781493 1356895902 /nfs/dbraw/zinc/89/59/02/1356895902.db2.gz XXNHCVDERPBLCT-LSDHHAIUSA-N 2 2 332.423 2.138 10 0 EEAELP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001675323071 1356964941 /nfs/dbraw/zinc/96/49/41/1356964941.db2.gz VGWUZJHPCQLLQA-PSKZRQQASA-N 2 2 334.464 2.143 10 0 EEAELP C[NH2+]C1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923286088 789309589 /nfs/dbraw/zinc/30/95/89/789309589.db2.gz HDXZNABTMHGZHM-GFCCVEGCSA-N 2 2 333.259 2.417 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@@H]3CC[C@H]4C[C@H]43)CC2)CC1 ZINC000915493699 796282240 /nfs/dbraw/zinc/28/22/40/796282240.db2.gz ZXMUEIWIINPWCW-BXWFABGCSA-N 2 2 348.535 2.280 10 0 EEAELP C[C@H]1[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000922650605 801582517 /nfs/dbraw/zinc/58/25/17/801582517.db2.gz QNWHVMCTWXUOPB-SWLSCSKDSA-N 2 2 347.850 2.418 10 0 EEAELP C[C@H]1[C@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000922650605 801582518 /nfs/dbraw/zinc/58/25/18/801582518.db2.gz QNWHVMCTWXUOPB-SWLSCSKDSA-N 2 2 347.850 2.418 10 0 EEAELP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000787291116 807069513 /nfs/dbraw/zinc/06/95/13/807069513.db2.gz IOXAZCYPJGQFBP-QGZVFWFLSA-N 3 2 327.476 2.160 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1nccs1 ZINC001436440893 1087835005 /nfs/dbraw/zinc/83/50/05/1087835005.db2.gz QVUDCYRFUODWJA-LZWOXQAQSA-N 2 2 338.521 2.198 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1nccs1 ZINC001436440893 1087835024 /nfs/dbraw/zinc/83/50/24/1087835024.db2.gz QVUDCYRFUODWJA-LZWOXQAQSA-N 2 2 338.521 2.198 10 0 EEAELP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001436950104 1088636477 /nfs/dbraw/zinc/63/64/77/1088636477.db2.gz LJVWSYMYGMHBMM-GASCZTMLSA-N 2 2 332.492 2.435 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[N@H+](CCC2CC2)C1 ZINC001436999781 1088748218 /nfs/dbraw/zinc/74/82/18/1088748218.db2.gz ULZMIRXJRJGYKG-KRWDZBQOSA-N 2 2 344.503 2.390 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001436999781 1088748229 /nfs/dbraw/zinc/74/82/29/1088748229.db2.gz ULZMIRXJRJGYKG-KRWDZBQOSA-N 2 2 344.503 2.390 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CC[C@@H]3CCCCO3)ccn12 ZINC001437136191 1089128235 /nfs/dbraw/zinc/12/82/35/1089128235.db2.gz NMZWZFYZTKBICM-YOEHRIQHSA-N 2 2 344.459 2.310 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001437172532 1089200209 /nfs/dbraw/zinc/20/02/09/1089200209.db2.gz SSBKLKVBDPTINV-WBVHZDCISA-N 2 2 326.444 2.048 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[NH2+]CCc1ccccc1F ZINC001437174712 1089205933 /nfs/dbraw/zinc/20/59/33/1089205933.db2.gz SUIXGHJDBICJCT-AWEZNQCLSA-N 2 2 345.418 2.109 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1csc(Cl)n1 ZINC001437262390 1089405681 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ZUTKWXSNDXLBFT-NVXWUHKLSA-N 2 2 326.444 2.048 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001445628658 1091420933 /nfs/dbraw/zinc/42/09/33/1091420933.db2.gz WZKABPPSGDBKFP-NEPJUHHUSA-N 2 2 336.386 2.161 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001445628658 1091420937 /nfs/dbraw/zinc/42/09/37/1091420937.db2.gz WZKABPPSGDBKFP-NEPJUHHUSA-N 2 2 336.386 2.161 10 0 EEAELP CN(CC[N@H+](C)C[C@H]1CC(C)(C)CO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001438888389 1091532581 /nfs/dbraw/zinc/53/25/81/1091532581.db2.gz AJWYPVYZVDXFOL-OAHLLOKOSA-N 2 2 344.459 2.382 10 0 EEAELP CN(CC[N@@H+](C)C[C@H]1CC(C)(C)CO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001438888389 1091532590 /nfs/dbraw/zinc/53/25/90/1091532590.db2.gz AJWYPVYZVDXFOL-OAHLLOKOSA-N 2 2 344.459 2.382 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1C ZINC001439226199 1091871013 /nfs/dbraw/zinc/87/10/13/1091871013.db2.gz QUJVWKRXHIGUEQ-AWEZNQCLSA-N 2 2 345.418 2.375 10 0 EEAELP 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ZINC001507813341 1115350814 /nfs/dbraw/zinc/35/08/14/1115350814.db2.gz NPZPUNXTEHXIET-JKSUJKDBSA-N 2 2 338.471 2.362 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)CCN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001507813341 1115350815 /nfs/dbraw/zinc/35/08/15/1115350815.db2.gz NPZPUNXTEHXIET-JKSUJKDBSA-N 2 2 338.471 2.362 10 0 EEAELP Cc1csc(C[NH+]2CCC([C@H](C)NC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001508087281 1115417096 /nfs/dbraw/zinc/41/70/96/1115417096.db2.gz GBLMWWIGAOMUJX-AWEZNQCLSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001568075716 1124281189 /nfs/dbraw/zinc/28/11/89/1124281189.db2.gz HHBKNQXAYAGFJX-KRWDZBQOSA-N 2 2 341.459 2.005 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001568277336 1124399769 /nfs/dbraw/zinc/39/97/69/1124399769.db2.gz WDVPLSMWYOQDQC-NEPJUHHUSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001568277336 1124399772 /nfs/dbraw/zinc/39/97/72/1124399772.db2.gz WDVPLSMWYOQDQC-NEPJUHHUSA-N 2 2 347.290 2.363 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001568513579 1124573815 /nfs/dbraw/zinc/57/38/15/1124573815.db2.gz MWVPZEBPSWBQBC-SJLPKXTDSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001568513579 1124573818 /nfs/dbraw/zinc/57/38/18/1124573818.db2.gz MWVPZEBPSWBQBC-SJLPKXTDSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001568513579 1124573825 /nfs/dbraw/zinc/57/38/25/1124573825.db2.gz MWVPZEBPSWBQBC-SJLPKXTDSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001568513579 1124573831 /nfs/dbraw/zinc/57/38/31/1124573831.db2.gz MWVPZEBPSWBQBC-SJLPKXTDSA-N 2 2 348.491 2.080 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001568791385 1124802903 /nfs/dbraw/zinc/80/29/03/1124802903.db2.gz HLPYXIQMVRDNSI-UHFFFAOYSA-N 2 2 332.423 2.465 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1ccc(CF)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568865791 1124891935 /nfs/dbraw/zinc/89/19/35/1124891935.db2.gz LCIZTYSKLBMIMK-YTHBIGJYSA-N 2 2 342.418 2.445 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1ccc(CF)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568865791 1124891940 /nfs/dbraw/zinc/89/19/40/1124891940.db2.gz LCIZTYSKLBMIMK-YTHBIGJYSA-N 2 2 342.418 2.445 10 0 EEAELP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]C[C@H]2CCCCO2)c(C)[nH+]1 ZINC001568891981 1124918826 /nfs/dbraw/zinc/91/88/26/1124918826.db2.gz PUYOJJKAEIARGO-FUTAKVPZSA-N 2 2 331.460 2.452 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001568955404 1124990605 /nfs/dbraw/zinc/99/06/05/1124990605.db2.gz YSGMPGAFHMGPBP-IHWYPQMZSA-N 2 2 337.427 2.204 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001569065417 1125075775 /nfs/dbraw/zinc/07/57/75/1125075775.db2.gz KPXXSBSSILSZMO-WIVVLVHASA-N 2 2 338.455 2.253 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCc1ccccc1Cl ZINC001569094688 1125093203 /nfs/dbraw/zinc/09/32/03/1125093203.db2.gz XWONUHBUBXUYBT-LBPRGKRZSA-N 2 2 334.851 2.251 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CCCN(C)C(=O)CCc2[nH+]ccn2C)c1 ZINC001569226340 1125179435 /nfs/dbraw/zinc/17/94/35/1125179435.db2.gz KLNRLLQUURPSFO-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)CCc1c[nH+]cn1C ZINC001569261752 1125203713 /nfs/dbraw/zinc/20/37/13/1125203713.db2.gz BEWZMZBVXWFDHB-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP [NH3+]C[C@@H]([NH2+]C1CC1)c1cc(Br)c2c(c1)OCCCO2 ZINC000050271297 214051551 /nfs/dbraw/zinc/05/15/51/214051551.db2.gz NFNVOHYVUQITRE-GFCCVEGCSA-N 2 2 327.222 2.362 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000182243952 539589107 /nfs/dbraw/zinc/58/91/07/539589107.db2.gz CVMGDAOPDOLCLD-CQSZACIVSA-N 2 2 346.393 2.471 10 0 EEAELP CCOc1cc(CCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1OC ZINC000422749717 240204763 /nfs/dbraw/zinc/20/47/63/240204763.db2.gz APAWWMZJDWGOJL-UXHICEINSA-N 2 2 348.487 2.383 10 0 EEAELP Fc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000422756011 240207502 /nfs/dbraw/zinc/20/75/02/240207502.db2.gz IOXIWPZBVAQDEP-LSDHHAIUSA-N 2 2 343.240 2.445 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cn2c1 ZINC000264258545 246253273 /nfs/dbraw/zinc/25/32/73/246253273.db2.gz DOGIFIMJLSIVSA-INIZCTEOSA-N 2 2 327.432 2.022 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@H+]4CCCC[C@H]4C3)cn2c1 ZINC000264258545 246253277 /nfs/dbraw/zinc/25/32/77/246253277.db2.gz DOGIFIMJLSIVSA-INIZCTEOSA-N 2 2 327.432 2.022 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCCSC)CC2)CC1 ZINC000422024772 535462306 /nfs/dbraw/zinc/46/23/06/535462306.db2.gz RCFKBWBQQDWBGC-UHFFFAOYSA-N 2 2 327.538 2.148 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCCSC)CC2)CC1 ZINC000422024772 535462305 /nfs/dbraw/zinc/46/23/05/535462305.db2.gz RCFKBWBQQDWBGC-UHFFFAOYSA-N 2 2 327.538 2.148 10 0 EEAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000268869452 252317789 /nfs/dbraw/zinc/31/77/89/252317789.db2.gz FYVYQPVMMSPVJZ-GOEBONIOSA-N 2 2 341.446 2.445 10 0 EEAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000268869452 252317793 /nfs/dbraw/zinc/31/77/93/252317793.db2.gz FYVYQPVMMSPVJZ-GOEBONIOSA-N 2 2 341.446 2.445 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000081096977 292202382 /nfs/dbraw/zinc/20/23/82/292202382.db2.gz NRZLLOLTUQDZPS-IEBWSBKVSA-N 2 2 343.515 2.497 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000081096977 292202383 /nfs/dbraw/zinc/20/23/83/292202383.db2.gz NRZLLOLTUQDZPS-IEBWSBKVSA-N 2 2 343.515 2.497 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000081096977 292202384 /nfs/dbraw/zinc/20/23/84/292202384.db2.gz NRZLLOLTUQDZPS-IEBWSBKVSA-N 2 2 343.515 2.497 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@H](C)C1 ZINC000081096977 292202385 /nfs/dbraw/zinc/20/23/85/292202385.db2.gz NRZLLOLTUQDZPS-IEBWSBKVSA-N 2 2 343.515 2.497 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000120854261 292258578 /nfs/dbraw/zinc/25/85/78/292258578.db2.gz HTZOJFVBWMNAFS-UHFFFAOYSA-N 2 2 335.496 2.459 10 0 EEAELP C[C@@H](c1cccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)c1)[NH+]1CCOCC1 ZINC000263107074 152375824 /nfs/dbraw/zinc/37/58/24/152375824.db2.gz AAGHXJMVWZITGV-SWLSCSKDSA-N 2 2 339.386 2.016 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000357738635 153315797 /nfs/dbraw/zinc/31/57/97/153315797.db2.gz GKWLMMLRSGNHKJ-FUHWJXTLSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000357738635 153315801 /nfs/dbraw/zinc/31/58/01/153315801.db2.gz GKWLMMLRSGNHKJ-FUHWJXTLSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000357738635 153315805 /nfs/dbraw/zinc/31/58/05/153315805.db2.gz GKWLMMLRSGNHKJ-FUHWJXTLSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000357738635 153315810 /nfs/dbraw/zinc/31/58/10/153315810.db2.gz GKWLMMLRSGNHKJ-FUHWJXTLSA-N 2 2 347.503 2.458 10 0 EEAELP CC(C)[C@@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCCC1 ZINC000105126012 159296966 /nfs/dbraw/zinc/29/69/66/159296966.db2.gz QFXFEUKGRUPJMM-MRXNPFEDSA-N 2 2 333.480 2.067 10 0 EEAELP C[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000184666877 160013970 /nfs/dbraw/zinc/01/39/70/160013970.db2.gz WSVIYZDNKNGGGL-BBWFWOEESA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000184666877 160013974 /nfs/dbraw/zinc/01/39/74/160013974.db2.gz WSVIYZDNKNGGGL-BBWFWOEESA-N 2 2 330.476 2.382 10 0 EEAELP Cc1ccc(N2CCC(NC(=O)N(C)CC[N@H+](C)C3CC3)CC2)[nH+]c1 ZINC000185446738 160037741 /nfs/dbraw/zinc/03/77/41/160037741.db2.gz WOJQQMRNTIOVRS-UHFFFAOYSA-N 2 2 345.491 2.094 10 0 EEAELP Cc1ccc(N2CCC(NC(=O)N(C)CC[N@@H+](C)C3CC3)CC2)[nH+]c1 ZINC000185446738 160037744 /nfs/dbraw/zinc/03/77/44/160037744.db2.gz WOJQQMRNTIOVRS-UHFFFAOYSA-N 2 2 345.491 2.094 10 0 EEAELP Cc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)n1 ZINC000186975527 160089198 /nfs/dbraw/zinc/08/91/98/160089198.db2.gz GCKGHIAANXLKCB-UHFFFAOYSA-N 2 2 327.476 2.491 10 0 EEAELP Cc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(C)n1 ZINC000186975527 160089200 /nfs/dbraw/zinc/08/92/00/160089200.db2.gz GCKGHIAANXLKCB-UHFFFAOYSA-N 2 2 327.476 2.491 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000192761248 160173510 /nfs/dbraw/zinc/17/35/10/160173510.db2.gz BBTIGLLDZGVYIY-HXUWFJFHSA-N 2 2 347.503 2.182 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H](c3cccc(O)c3)C2)CC1 ZINC000192761248 160173511 /nfs/dbraw/zinc/17/35/11/160173511.db2.gz BBTIGLLDZGVYIY-HXUWFJFHSA-N 2 2 347.503 2.182 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000246200158 160267393 /nfs/dbraw/zinc/26/73/93/160267393.db2.gz CWVOZWPPYLPHJQ-CVEARBPZSA-N 2 2 327.432 2.103 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000246200158 160267394 /nfs/dbraw/zinc/26/73/94/160267394.db2.gz CWVOZWPPYLPHJQ-CVEARBPZSA-N 2 2 327.432 2.103 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246744912 160292231 /nfs/dbraw/zinc/29/22/31/160292231.db2.gz WXVYRBSHNJNQRI-IKGGRYGDSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[N@H+]1CCC[C@@H](C)C1 ZINC000246744912 160292232 /nfs/dbraw/zinc/29/22/32/160292232.db2.gz WXVYRBSHNJNQRI-IKGGRYGDSA-N 2 2 333.480 2.178 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246804111 160295429 /nfs/dbraw/zinc/29/54/29/160295429.db2.gz JFKFNPXMWMEANC-RHSMWYFYSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246804111 160295430 /nfs/dbraw/zinc/29/54/30/160295430.db2.gz JFKFNPXMWMEANC-RHSMWYFYSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000246804111 160295432 /nfs/dbraw/zinc/29/54/32/160295432.db2.gz JFKFNPXMWMEANC-RHSMWYFYSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000246804111 160295433 /nfs/dbraw/zinc/29/54/33/160295433.db2.gz JFKFNPXMWMEANC-RHSMWYFYSA-N 2 2 347.459 2.058 10 0 EEAELP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341881639 161020960 /nfs/dbraw/zinc/02/09/60/161020960.db2.gz JCQJJUYOEDJAMW-RBUKOAKNSA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341881639 161020961 /nfs/dbraw/zinc/02/09/61/161020961.db2.gz JCQJJUYOEDJAMW-RBUKOAKNSA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@@H]1CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341881639 161020962 /nfs/dbraw/zinc/02/09/62/161020962.db2.gz JCQJJUYOEDJAMW-RBUKOAKNSA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@@H]1CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341881639 161020963 /nfs/dbraw/zinc/02/09/63/161020963.db2.gz JCQJJUYOEDJAMW-RBUKOAKNSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000343774417 161166984 /nfs/dbraw/zinc/16/69/84/161166984.db2.gz XJRNVWWYRCHRRM-MDZLAQPJSA-N 2 2 333.259 2.273 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000343774417 161166985 /nfs/dbraw/zinc/16/69/85/161166985.db2.gz XJRNVWWYRCHRRM-MDZLAQPJSA-N 2 2 333.259 2.273 10 0 EEAELP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC000344794115 161246257 /nfs/dbraw/zinc/24/62/57/161246257.db2.gz XMDLADAZFLVSFJ-KHYOSLBOSA-N 2 2 333.476 2.070 10 0 EEAELP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000344794115 161246258 /nfs/dbraw/zinc/24/62/58/161246258.db2.gz XMDLADAZFLVSFJ-KHYOSLBOSA-N 2 2 333.476 2.070 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000345099885 161271855 /nfs/dbraw/zinc/27/18/55/161271855.db2.gz SYNAWDIHEPCYEI-WBVHZDCISA-N 2 2 325.403 2.168 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000345099885 161271856 /nfs/dbraw/zinc/27/18/56/161271856.db2.gz SYNAWDIHEPCYEI-WBVHZDCISA-N 2 2 325.403 2.168 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000345099885 161271857 /nfs/dbraw/zinc/27/18/57/161271857.db2.gz SYNAWDIHEPCYEI-WBVHZDCISA-N 2 2 325.403 2.168 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000345099885 161271858 /nfs/dbraw/zinc/27/18/58/161271858.db2.gz SYNAWDIHEPCYEI-WBVHZDCISA-N 2 2 325.403 2.168 10 0 EEAELP C[N@H+](CCCO)C1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352024367 162034745 /nfs/dbraw/zinc/03/47/45/162034745.db2.gz GESFZBFFMYFNKX-UHFFFAOYSA-N 2 2 342.386 2.287 10 0 EEAELP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352024367 162034747 /nfs/dbraw/zinc/03/47/47/162034747.db2.gz GESFZBFFMYFNKX-UHFFFAOYSA-N 2 2 342.386 2.287 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000355653735 163260556 /nfs/dbraw/zinc/26/05/56/163260556.db2.gz RAEYNGWGVNIKAS-UHFFFAOYSA-N 2 2 329.448 2.433 10 0 EEAELP COc1ccccc1CCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000356249364 163379433 /nfs/dbraw/zinc/37/94/33/163379433.db2.gz GOILBHBHGDBACC-UHFFFAOYSA-N 2 2 328.460 2.179 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353989015 287046823 /nfs/dbraw/zinc/04/68/23/287046823.db2.gz ZAZALFLLRWOKRV-KGLIPLIRSA-N 2 2 333.457 2.489 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)CS(C)(=O)=O ZINC000360339805 164287905 /nfs/dbraw/zinc/28/79/05/164287905.db2.gz VLLKXBFNZKIABW-JFIYKMOQSA-N 2 2 338.517 2.167 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CS(C)(=O)=O ZINC000360339805 164287906 /nfs/dbraw/zinc/28/79/06/164287906.db2.gz VLLKXBFNZKIABW-JFIYKMOQSA-N 2 2 338.517 2.167 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000369742832 166325226 /nfs/dbraw/zinc/32/52/26/166325226.db2.gz VKAAMQILMXTWAN-CJNGLKHVSA-N 2 2 347.488 2.364 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369742832 166325227 /nfs/dbraw/zinc/32/52/27/166325227.db2.gz VKAAMQILMXTWAN-CJNGLKHVSA-N 2 2 347.488 2.364 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000369950398 166363702 /nfs/dbraw/zinc/36/37/02/166363702.db2.gz BNBFPBVEMNEJOI-KRWDZBQOSA-N 2 2 340.427 2.156 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000369950398 166363704 /nfs/dbraw/zinc/36/37/04/166363704.db2.gz BNBFPBVEMNEJOI-KRWDZBQOSA-N 2 2 340.427 2.156 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000122859268 222173033 /nfs/dbraw/zinc/17/30/33/222173033.db2.gz KGNUXGBTSKQEGY-OAHLLOKOSA-N 2 2 329.448 2.313 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1 ZINC000122859268 222173036 /nfs/dbraw/zinc/17/30/36/222173036.db2.gz KGNUXGBTSKQEGY-OAHLLOKOSA-N 2 2 329.448 2.313 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cnc3cnccn23)C1 ZINC000275709958 269137866 /nfs/dbraw/zinc/13/78/66/269137866.db2.gz NRCXOROTLMQDGC-KRWDZBQOSA-N 2 2 336.443 2.078 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cnc3cnccn23)C1 ZINC000275709958 269137868 /nfs/dbraw/zinc/13/78/68/269137868.db2.gz NRCXOROTLMQDGC-KRWDZBQOSA-N 2 2 336.443 2.078 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000275709958 269137869 /nfs/dbraw/zinc/13/78/69/269137869.db2.gz NRCXOROTLMQDGC-KRWDZBQOSA-N 2 2 336.443 2.078 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000275709958 269137871 /nfs/dbraw/zinc/13/78/71/269137871.db2.gz NRCXOROTLMQDGC-KRWDZBQOSA-N 2 2 336.443 2.078 10 0 EEAELP CCCCNC(=O)NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189904950 274040158 /nfs/dbraw/zinc/04/01/58/274040158.db2.gz NSTBMHWFOOUJKP-AWEZNQCLSA-N 2 2 343.431 2.149 10 0 EEAELP COc1cccc2c(N3C[C@@H](C)[N@H+](CCO)C[C@H]3C)cc(C)[nH+]c12 ZINC000419007102 274150396 /nfs/dbraw/zinc/15/03/96/274150396.db2.gz RGYVWSLVIUMARN-HUUCEWRRSA-N 2 2 329.444 2.443 10 0 EEAELP COc1cccc2c(N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)cc(C)[nH+]c12 ZINC000419007102 274150399 /nfs/dbraw/zinc/15/03/99/274150399.db2.gz RGYVWSLVIUMARN-HUUCEWRRSA-N 2 2 329.444 2.443 10 0 EEAELP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)nc1 ZINC000290106627 275180325 /nfs/dbraw/zinc/18/03/25/275180325.db2.gz SMBLUUFTAIRKIU-HNNXBMFYSA-N 2 2 327.432 2.017 10 0 EEAELP Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)nc1 ZINC000290106627 275180326 /nfs/dbraw/zinc/18/03/26/275180326.db2.gz SMBLUUFTAIRKIU-HNNXBMFYSA-N 2 2 327.432 2.017 10 0 EEAELP Brc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000422721882 275369064 /nfs/dbraw/zinc/36/90/64/275369064.db2.gz WHGPIRZCAPHIOQ-GXTWGEPZSA-N 2 2 345.306 2.410 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000340716615 277136548 /nfs/dbraw/zinc/13/65/48/277136548.db2.gz UJTWFRGXJRALHK-CVEARBPZSA-N 2 2 336.867 2.090 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000340716615 277136549 /nfs/dbraw/zinc/13/65/49/277136549.db2.gz UJTWFRGXJRALHK-CVEARBPZSA-N 2 2 336.867 2.090 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000366896354 277165829 /nfs/dbraw/zinc/16/58/29/277165829.db2.gz OETCFOOIXCLXKK-HOTGVXAUSA-N 2 2 336.867 2.042 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000366896354 277165830 /nfs/dbraw/zinc/16/58/30/277165830.db2.gz OETCFOOIXCLXKK-HOTGVXAUSA-N 2 2 336.867 2.042 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3CCC[N@@H+](C4CC4)CC3)cn21 ZINC000069480433 281317508 /nfs/dbraw/zinc/31/75/08/281317508.db2.gz LWFMLTBNJOWNGF-UHFFFAOYSA-N 2 2 327.432 2.022 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3CCC[N@H+](C4CC4)CC3)cn21 ZINC000069480433 281317511 /nfs/dbraw/zinc/31/75/11/281317511.db2.gz LWFMLTBNJOWNGF-UHFFFAOYSA-N 2 2 327.432 2.022 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)C[C@@H]2C1 ZINC000193626204 290289603 /nfs/dbraw/zinc/28/96/03/290289603.db2.gz AKSAXEKDRAUEIP-CEXWTWQISA-N 2 2 327.472 2.234 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)C[C@@H]2C1 ZINC000193626204 290289604 /nfs/dbraw/zinc/28/96/04/290289604.db2.gz AKSAXEKDRAUEIP-CEXWTWQISA-N 2 2 327.472 2.234 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)C[C@@H]2C1 ZINC000193626204 290289606 /nfs/dbraw/zinc/28/96/06/290289606.db2.gz AKSAXEKDRAUEIP-CEXWTWQISA-N 2 2 327.472 2.234 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)C[C@@H]2C1 ZINC000193626204 290289608 /nfs/dbraw/zinc/28/96/08/290289608.db2.gz AKSAXEKDRAUEIP-CEXWTWQISA-N 2 2 327.472 2.234 10 0 EEAELP COc1ccc(F)c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000293058655 293114868 /nfs/dbraw/zinc/11/48/68/293114868.db2.gz SABIVKHWTORNSM-GOSISDBHSA-N 2 2 344.430 2.343 10 0 EEAELP COc1ccc(F)c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000293058655 293114871 /nfs/dbraw/zinc/11/48/71/293114871.db2.gz SABIVKHWTORNSM-GOSISDBHSA-N 2 2 344.430 2.343 10 0 EEAELP Cc1c[nH+]ccc1OC1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000284348563 311477341 /nfs/dbraw/zinc/47/73/41/311477341.db2.gz RTZYOJJYXGJNNL-UHFFFAOYSA-N 2 2 338.473 2.058 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000332916524 312068401 /nfs/dbraw/zinc/06/84/01/312068401.db2.gz XNTWRJXSZPSKTO-ILXRZTDVSA-N 2 2 347.507 2.277 10 0 EEAELP [NH3+]C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CCCC1 ZINC000416939195 313367394 /nfs/dbraw/zinc/36/73/94/313367394.db2.gz MOTIYYVVFUHYHG-CQSZACIVSA-N 2 2 335.839 2.304 10 0 EEAELP C[C@@H]([NH3+])c1ccc(CNC(=O)NCc2ccc[nH+]c2N(C)C)cc1 ZINC000417021630 313398632 /nfs/dbraw/zinc/39/86/32/313398632.db2.gz UJEOMWPRPAXUMY-CYBMUJFWSA-N 2 2 327.432 2.167 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417739884 313581269 /nfs/dbraw/zinc/58/12/69/313581269.db2.gz QTQSYXVTLAWWEI-UHFFFAOYSA-N 2 2 329.448 2.210 10 0 EEAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000429854548 314476266 /nfs/dbraw/zinc/47/62/66/314476266.db2.gz QBLVTRYRKWNCRQ-KRWDZBQOSA-N 2 2 329.419 2.396 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CC[NH+](C)C)c(C)c1 ZINC000442241786 315196742 /nfs/dbraw/zinc/19/67/42/315196742.db2.gz MEWFMJJBMPJFDJ-SFHVURJKSA-N 2 2 343.475 2.444 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563622010 319031389 /nfs/dbraw/zinc/03/13/89/319031389.db2.gz BWYSJIYUVNCGKM-OAHLLOKOSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC000563622010 319031391 /nfs/dbraw/zinc/03/13/91/319031391.db2.gz BWYSJIYUVNCGKM-OAHLLOKOSA-N 2 2 330.476 2.240 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cnc2n1 ZINC000566487610 319294739 /nfs/dbraw/zinc/29/47/39/319294739.db2.gz XXJBRARQLBUPNJ-QGZVFWFLSA-N 2 2 343.475 2.033 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CCC[C@@H]([NH+]4CCOCC4)CC3)cnc2n1 ZINC000566487610 319294740 /nfs/dbraw/zinc/29/47/40/319294740.db2.gz XXJBRARQLBUPNJ-QGZVFWFLSA-N 2 2 343.475 2.033 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000576715568 320197993 /nfs/dbraw/zinc/19/79/93/320197993.db2.gz MDLMTMNJLDSRQU-OAHLLOKOSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)C1 ZINC000582070908 324373450 /nfs/dbraw/zinc/37/34/50/324373450.db2.gz BFPMVBSDAOZBMF-CXAGYDPISA-N 2 2 330.407 2.107 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)C1 ZINC000582070908 324373452 /nfs/dbraw/zinc/37/34/52/324373452.db2.gz BFPMVBSDAOZBMF-CXAGYDPISA-N 2 2 330.407 2.107 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCC[N@H+]3C)c2)cc[nH+]1 ZINC000541730379 448689110 /nfs/dbraw/zinc/68/91/10/448689110.db2.gz MIGQVKUSCIEUNQ-KRWDZBQOSA-N 2 2 339.443 2.221 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)c2)cc[nH+]1 ZINC000541730379 448689115 /nfs/dbraw/zinc/68/91/15/448689115.db2.gz MIGQVKUSCIEUNQ-KRWDZBQOSA-N 2 2 339.443 2.221 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)NC3CC([NH+](C)C)C3)c2)cc[nH+]1 ZINC000622008932 450984737 /nfs/dbraw/zinc/98/47/37/450984737.db2.gz DDHAVFTZKGYORE-UHFFFAOYSA-N 2 2 339.443 2.220 10 0 EEAELP CCC([NH3+])(CC)CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000627081588 451114398 /nfs/dbraw/zinc/11/43/98/451114398.db2.gz VVIWSODKQVDJRY-UHFFFAOYSA-N 2 2 336.484 2.137 10 0 EEAELP COc1ccc(F)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000351699527 465299446 /nfs/dbraw/zinc/29/94/46/465299446.db2.gz BHJCFGQSBNWUBG-BEFAXECRSA-N 2 2 335.467 2.292 10 0 EEAELP COc1ccc(F)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000351699527 465299449 /nfs/dbraw/zinc/29/94/49/465299449.db2.gz BHJCFGQSBNWUBG-BEFAXECRSA-N 2 2 335.467 2.292 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H](c2[nH+]ccn2C)C(F)(F)F)CC[N@H+]1C ZINC000579128079 468315442 /nfs/dbraw/zinc/31/54/42/468315442.db2.gz JDWNDOSQWJJLGG-AGIUHOORSA-N 2 2 346.397 2.397 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089690816 462709746 /nfs/dbraw/zinc/70/97/46/462709746.db2.gz YNHPEHLMDSBJHU-GDBMZVCRSA-N 2 2 347.850 2.318 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089690816 462709748 /nfs/dbraw/zinc/70/97/48/462709748.db2.gz YNHPEHLMDSBJHU-GDBMZVCRSA-N 2 2 347.850 2.318 10 0 EEAELP CC1CC[NH+](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000049202978 462960604 /nfs/dbraw/zinc/96/06/04/462960604.db2.gz XADFUIQHASKFPP-UHFFFAOYSA-N 2 2 345.491 2.082 10 0 EEAELP C[C@H](C[NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1cccc(Br)c1 ZINC000095981671 463125447 /nfs/dbraw/zinc/12/54/47/463125447.db2.gz UKECZRXNVZHQCI-CJNGLKHVSA-N 2 2 340.309 2.388 10 0 EEAELP C[C@H](C[NH2+]C[C@H]1C[N@H+](C)CCN1C)c1cccc(Br)c1 ZINC000095981671 463125441 /nfs/dbraw/zinc/12/54/41/463125441.db2.gz UKECZRXNVZHQCI-CJNGLKHVSA-N 2 2 340.309 2.388 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@@H]3[C@@H]3CCC[N@H+]3C)[nH+]c12 ZINC000069490132 463258266 /nfs/dbraw/zinc/25/82/66/463258266.db2.gz YBTZUQKYJNIOST-DLBZAZTESA-N 2 2 326.444 2.270 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@@H]3[C@@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000069490132 463258271 /nfs/dbraw/zinc/25/82/71/463258271.db2.gz YBTZUQKYJNIOST-DLBZAZTESA-N 2 2 326.444 2.270 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000080462289 463321364 /nfs/dbraw/zinc/32/13/64/463321364.db2.gz SUDRSRLRMJRCNF-INIZCTEOSA-N 2 2 333.480 2.421 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123705146 463363023 /nfs/dbraw/zinc/36/30/23/463363023.db2.gz GKWLMMLRSGNHKJ-AEFFLSMTSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123705146 463363028 /nfs/dbraw/zinc/36/30/28/463363028.db2.gz GKWLMMLRSGNHKJ-AEFFLSMTSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123705146 463363030 /nfs/dbraw/zinc/36/30/30/463363030.db2.gz GKWLMMLRSGNHKJ-AEFFLSMTSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123705146 463363034 /nfs/dbraw/zinc/36/30/34/463363034.db2.gz GKWLMMLRSGNHKJ-AEFFLSMTSA-N 2 2 347.503 2.458 10 0 EEAELP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000105142639 463440139 /nfs/dbraw/zinc/44/01/39/463440139.db2.gz QCZFPMKRBJDCEJ-MRXNPFEDSA-N 2 2 345.491 2.082 10 0 EEAELP CC[N@H+]1CCC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000105142639 463440144 /nfs/dbraw/zinc/44/01/44/463440144.db2.gz QCZFPMKRBJDCEJ-MRXNPFEDSA-N 2 2 345.491 2.082 10 0 EEAELP COc1cccc(NC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000105875667 463484373 /nfs/dbraw/zinc/48/43/73/463484373.db2.gz KEYYTTWYNAUKPQ-UHFFFAOYSA-N 2 2 342.443 2.322 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000057815637 463521039 /nfs/dbraw/zinc/52/10/39/463521039.db2.gz MXOQEYPHCFIEMV-JKSUJKDBSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000057815637 463521044 /nfs/dbraw/zinc/52/10/44/463521044.db2.gz MXOQEYPHCFIEMV-JKSUJKDBSA-N 2 2 345.422 2.042 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107666756 463577444 /nfs/dbraw/zinc/57/74/44/463577444.db2.gz HAVUVEKWBKFANC-KRWDZBQOSA-N 2 2 339.443 2.358 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000073719361 463648546 /nfs/dbraw/zinc/64/85/46/463648546.db2.gz HMOCWKQXEXYVPM-UHFFFAOYSA-N 2 2 347.507 2.183 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(C)(C)C ZINC000126932701 463671143 /nfs/dbraw/zinc/67/11/43/463671143.db2.gz OEXGELBUDUHMGZ-PMRDEQMMSA-N 2 2 336.524 2.373 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)(C)C ZINC000126932701 463671148 /nfs/dbraw/zinc/67/11/48/463671148.db2.gz OEXGELBUDUHMGZ-PMRDEQMMSA-N 2 2 336.524 2.373 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268923054 463809926 /nfs/dbraw/zinc/80/99/26/463809926.db2.gz XHKUBFQLYMRWNS-SFHLNBCPSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268923054 463809931 /nfs/dbraw/zinc/80/99/31/463809931.db2.gz XHKUBFQLYMRWNS-SFHLNBCPSA-N 3 2 344.547 2.123 10 0 EEAELP CC(C)n1nccc1CN(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261654279 463817677 /nfs/dbraw/zinc/81/76/77/463817677.db2.gz BGVARBPTVBLNMJ-KRWDZBQOSA-N 2 2 342.491 2.342 10 0 EEAELP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261912235 463897137 /nfs/dbraw/zinc/89/71/37/463897137.db2.gz XSKQJZMSZPARSU-OXQOHEQNSA-N 2 2 329.488 2.484 10 0 EEAELP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261912235 463897140 /nfs/dbraw/zinc/89/71/40/463897140.db2.gz XSKQJZMSZPARSU-OXQOHEQNSA-N 2 2 329.488 2.484 10 0 EEAELP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000261997069 463921779 /nfs/dbraw/zinc/92/17/79/463921779.db2.gz UDZZKMFFGKOGMF-KSZLIROESA-N 3 2 326.444 2.119 10 0 EEAELP COC(=O)CC[N@H+](Cc1cccc(F)c1F)C[C@]1(C)CC[NH2+]C1 ZINC000262118950 463951067 /nfs/dbraw/zinc/95/10/67/463951067.db2.gz XEVMJMQTIAWSQG-QGZVFWFLSA-N 2 2 326.387 2.330 10 0 EEAELP COC(=O)CC[N@@H+](Cc1cccc(F)c1F)C[C@]1(C)CC[NH2+]C1 ZINC000262118950 463951071 /nfs/dbraw/zinc/95/10/71/463951071.db2.gz XEVMJMQTIAWSQG-QGZVFWFLSA-N 2 2 326.387 2.330 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178728195 463953692 /nfs/dbraw/zinc/95/36/92/463953692.db2.gz OBOUWFLTZSDPPH-MRXNPFEDSA-N 2 2 329.448 2.254 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178728195 463953697 /nfs/dbraw/zinc/95/36/97/463953697.db2.gz OBOUWFLTZSDPPH-MRXNPFEDSA-N 2 2 329.448 2.254 10 0 EEAELP Cc1ncc(C[NH+]2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000178883764 464003102 /nfs/dbraw/zinc/00/31/02/464003102.db2.gz UVRPVMRVXIWEOE-MQVJKMGUSA-N 2 2 348.516 2.016 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292270451 464180699 /nfs/dbraw/zinc/18/06/99/464180699.db2.gz ZNHMHXBKZZPVJZ-BEFAXECRSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292270451 464180707 /nfs/dbraw/zinc/18/07/07/464180707.db2.gz ZNHMHXBKZZPVJZ-BEFAXECRSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292270451 464180712 /nfs/dbraw/zinc/18/07/12/464180712.db2.gz ZNHMHXBKZZPVJZ-BEFAXECRSA-N 2 2 333.451 2.373 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292270451 464180719 /nfs/dbraw/zinc/18/07/19/464180719.db2.gz ZNHMHXBKZZPVJZ-BEFAXECRSA-N 2 2 333.451 2.373 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000579714976 468400826 /nfs/dbraw/zinc/40/08/26/468400826.db2.gz JLBCRMRBKADRLH-OLMNPRSZSA-N 2 2 332.492 2.186 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000579714976 468400830 /nfs/dbraw/zinc/40/08/30/468400830.db2.gz JLBCRMRBKADRLH-OLMNPRSZSA-N 2 2 332.492 2.186 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237144803 464272578 /nfs/dbraw/zinc/27/25/78/464272578.db2.gz APEQPJVBNDTSIW-HOTGVXAUSA-N 2 2 339.842 2.340 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237144803 464272584 /nfs/dbraw/zinc/27/25/84/464272584.db2.gz APEQPJVBNDTSIW-HOTGVXAUSA-N 2 2 339.842 2.340 10 0 EEAELP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768467 464336239 /nfs/dbraw/zinc/33/62/39/464336239.db2.gz KDNIRNQHHNINGO-HKUYNNGSSA-N 2 2 325.460 2.243 10 0 EEAELP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768467 464336246 /nfs/dbraw/zinc/33/62/46/464336246.db2.gz KDNIRNQHHNINGO-HKUYNNGSSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768467 464336251 /nfs/dbraw/zinc/33/62/51/464336251.db2.gz KDNIRNQHHNINGO-HKUYNNGSSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768467 464336256 /nfs/dbraw/zinc/33/62/56/464336256.db2.gz KDNIRNQHHNINGO-HKUYNNGSSA-N 2 2 325.460 2.243 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189132395 464441103 /nfs/dbraw/zinc/44/11/03/464441103.db2.gz YOPNONILPQNSPC-IBGZPJMESA-N 2 2 346.450 2.271 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189132395 464441108 /nfs/dbraw/zinc/44/11/08/464441108.db2.gz YOPNONILPQNSPC-IBGZPJMESA-N 2 2 346.450 2.271 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272173997 464505798 /nfs/dbraw/zinc/50/57/98/464505798.db2.gz GWRCNAZAISORJB-OAHLLOKOSA-N 2 2 327.432 2.262 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272173997 464505803 /nfs/dbraw/zinc/50/58/03/464505803.db2.gz GWRCNAZAISORJB-OAHLLOKOSA-N 2 2 327.432 2.262 10 0 EEAELP C[C@@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1n1cc[nH+]c1 ZINC000272370145 464581696 /nfs/dbraw/zinc/58/16/96/464581696.db2.gz UHNIZYIUFZCUIZ-RHSMWYFYSA-N 2 2 336.399 2.187 10 0 EEAELP CCOC(=O)c1csc(CC[NH2+]Cc2cccc3[nH+]ccn32)n1 ZINC000190348822 464624061 /nfs/dbraw/zinc/62/40/61/464624061.db2.gz XUIIIPGJPQVPCE-UHFFFAOYSA-N 2 2 330.413 2.300 10 0 EEAELP CCc1nc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])sc1C(C)(C)C ZINC000579810473 468415763 /nfs/dbraw/zinc/41/57/63/468415763.db2.gz MWRSOQPOAWWZNL-NSHDSACASA-N 2 2 339.509 2.110 10 0 EEAELP CCc1nc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])sc1C(C)(C)C ZINC000579810473 468415767 /nfs/dbraw/zinc/41/57/67/468415767.db2.gz MWRSOQPOAWWZNL-NSHDSACASA-N 2 2 339.509 2.110 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176235706 464726241 /nfs/dbraw/zinc/72/62/41/464726241.db2.gz QVRSGVRLZRWKHH-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000176235706 464726246 /nfs/dbraw/zinc/72/62/46/464726246.db2.gz QVRSGVRLZRWKHH-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000176235706 464726252 /nfs/dbraw/zinc/72/62/52/464726252.db2.gz QVRSGVRLZRWKHH-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000176235706 464726257 /nfs/dbraw/zinc/72/62/57/464726257.db2.gz QVRSGVRLZRWKHH-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192670410 464972897 /nfs/dbraw/zinc/97/28/97/464972897.db2.gz RDJNYXVJPSTQEY-STQMWFEESA-N 2 2 325.403 2.168 10 0 EEAELP O=C(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)NC1CCCCC1 ZINC000356897829 465609039 /nfs/dbraw/zinc/60/90/39/465609039.db2.gz MMSQOMLWFFXYPK-UHFFFAOYSA-N 2 2 335.414 2.442 10 0 EEAELP C[N@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(CC[C@@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324677 465796512 /nfs/dbraw/zinc/79/65/12/465796512.db2.gz DLNLTPMIXFFSIB-GURQWTFNSA-N 3 2 334.552 2.104 10 0 EEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(CC[C@@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324677 465796516 /nfs/dbraw/zinc/79/65/16/465796516.db2.gz DLNLTPMIXFFSIB-GURQWTFNSA-N 3 2 334.552 2.104 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(CC[C@@H]3CCCC[N@@H+]3C)CC1)C2 ZINC000353324677 465796519 /nfs/dbraw/zinc/79/65/19/465796519.db2.gz DLNLTPMIXFFSIB-GURQWTFNSA-N 3 2 334.552 2.104 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC([NH+]1CCN(CC[C@@H]3CCCC[N@H+]3C)CC1)C2 ZINC000353324677 465796523 /nfs/dbraw/zinc/79/65/23/465796523.db2.gz DLNLTPMIXFFSIB-GURQWTFNSA-N 3 2 334.552 2.104 10 0 EEAELP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC[C@@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324677 465796526 /nfs/dbraw/zinc/79/65/26/465796526.db2.gz DLNLTPMIXFFSIB-GURQWTFNSA-N 3 2 334.552 2.104 10 0 EEAELP C[N@@H+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC[C@@H]3CCCC[NH+]3C)CC1)C2 ZINC000353324677 465796530 /nfs/dbraw/zinc/79/65/30/465796530.db2.gz DLNLTPMIXFFSIB-GURQWTFNSA-N 3 2 334.552 2.104 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC1)C2 ZINC000353324677 465796533 /nfs/dbraw/zinc/79/65/33/465796533.db2.gz DLNLTPMIXFFSIB-GURQWTFNSA-N 3 2 334.552 2.104 10 0 EEAELP C[NH+]1[C@@H]2CC[C@H]1CC(N1CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC1)C2 ZINC000353324677 465796536 /nfs/dbraw/zinc/79/65/36/465796536.db2.gz DLNLTPMIXFFSIB-GURQWTFNSA-N 3 2 334.552 2.104 10 0 EEAELP C[N@H+](CCNC(=O)NCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000338279167 465978158 /nfs/dbraw/zinc/97/81/58/465978158.db2.gz BDVYDZSIQWYEDI-UHFFFAOYSA-N 2 2 329.448 2.398 10 0 EEAELP C[N@@H+](CCNC(=O)NCc1cn2ccccc2[nH+]1)C1CCCCC1 ZINC000338279167 465978164 /nfs/dbraw/zinc/97/81/64/465978164.db2.gz BDVYDZSIQWYEDI-UHFFFAOYSA-N 2 2 329.448 2.398 10 0 EEAELP Cc1cc(N2CCN(C(=O)C[N@H+]3[C@H](C)C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000548753212 468466791 /nfs/dbraw/zinc/46/67/91/468466791.db2.gz OWOQVQDSAVOPRV-IYBDPMFKSA-N 2 2 345.491 2.040 10 0 EEAELP Cc1cc(N2CCN(C(=O)C[N@@H+]3[C@H](C)C[C@@H]3C)CC2)nc(C(C)C)[nH+]1 ZINC000548753212 468466799 /nfs/dbraw/zinc/46/67/99/468466799.db2.gz OWOQVQDSAVOPRV-IYBDPMFKSA-N 2 2 345.491 2.040 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000340477853 466113949 /nfs/dbraw/zinc/11/39/49/466113949.db2.gz YJUXABYZGZBNAF-MOPGFXCFSA-N 2 2 327.476 2.483 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000340477853 466113957 /nfs/dbraw/zinc/11/39/57/466113957.db2.gz YJUXABYZGZBNAF-MOPGFXCFSA-N 2 2 327.476 2.483 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000340477855 466114680 /nfs/dbraw/zinc/11/46/80/466114680.db2.gz YJUXABYZGZBNAF-OALUTQOASA-N 2 2 327.476 2.483 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000340477855 466114683 /nfs/dbraw/zinc/11/46/83/466114683.db2.gz YJUXABYZGZBNAF-OALUTQOASA-N 2 2 327.476 2.483 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000367150738 466160254 /nfs/dbraw/zinc/16/02/54/466160254.db2.gz IYPUCWAJHHAATK-YJBOKZPZSA-N 2 2 329.444 2.317 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000367150738 466160261 /nfs/dbraw/zinc/16/02/61/466160261.db2.gz IYPUCWAJHHAATK-YJBOKZPZSA-N 2 2 329.444 2.317 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000367150738 466160265 /nfs/dbraw/zinc/16/02/65/466160265.db2.gz IYPUCWAJHHAATK-YJBOKZPZSA-N 2 2 329.444 2.317 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000367150738 466160276 /nfs/dbraw/zinc/16/02/76/466160276.db2.gz IYPUCWAJHHAATK-YJBOKZPZSA-N 2 2 329.444 2.317 10 0 EEAELP CN(C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCC1 ZINC000367164893 466168148 /nfs/dbraw/zinc/16/81/48/466168148.db2.gz KYYKTICBVOZAFU-JWTNVVGKSA-N 2 2 334.508 2.224 10 0 EEAELP CN(C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CCCC1 ZINC000367164893 466168157 /nfs/dbraw/zinc/16/81/57/466168157.db2.gz KYYKTICBVOZAFU-JWTNVVGKSA-N 2 2 334.508 2.224 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000357815632 466235982 /nfs/dbraw/zinc/23/59/82/466235982.db2.gz LJMPTWLJOFIDHH-INIZCTEOSA-N 2 2 343.475 2.459 10 0 EEAELP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000357815632 466235987 /nfs/dbraw/zinc/23/59/87/466235987.db2.gz LJMPTWLJOFIDHH-INIZCTEOSA-N 2 2 343.475 2.459 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357828397 466244732 /nfs/dbraw/zinc/24/47/32/466244732.db2.gz JJHDZVJEDARHJV-HUUCEWRRSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357828397 466244734 /nfs/dbraw/zinc/24/47/34/466244734.db2.gz JJHDZVJEDARHJV-HUUCEWRRSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357828397 466244736 /nfs/dbraw/zinc/24/47/36/466244736.db2.gz JJHDZVJEDARHJV-HUUCEWRRSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357828397 466244737 /nfs/dbraw/zinc/24/47/37/466244737.db2.gz JJHDZVJEDARHJV-HUUCEWRRSA-N 2 2 333.480 2.221 10 0 EEAELP CCN(CC[NH+]1CCOCC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000340817343 466359056 /nfs/dbraw/zinc/35/90/56/466359056.db2.gz LTZKIKJTOYANKS-ICSRJNTNSA-N 2 2 331.504 2.476 10 0 EEAELP CCN(CC[NH+]1CCOCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000340817343 466359060 /nfs/dbraw/zinc/35/90/60/466359060.db2.gz LTZKIKJTOYANKS-ICSRJNTNSA-N 2 2 331.504 2.476 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)CC(C)C ZINC000358004269 466381295 /nfs/dbraw/zinc/38/12/95/466381295.db2.gz OQUBRSBVEKFRNU-CABCVRRESA-N 2 2 335.496 2.323 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)CC(C)C ZINC000358004269 466381299 /nfs/dbraw/zinc/38/12/99/466381299.db2.gz OQUBRSBVEKFRNU-CABCVRRESA-N 2 2 335.496 2.323 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000350181989 466417086 /nfs/dbraw/zinc/41/70/86/466417086.db2.gz VOOCMFIEPYSYQO-OAHLLOKOSA-N 2 2 334.420 2.262 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000350181989 466417094 /nfs/dbraw/zinc/41/70/94/466417094.db2.gz VOOCMFIEPYSYQO-OAHLLOKOSA-N 2 2 334.420 2.262 10 0 EEAELP Cc1nc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c(C)[nH+]1 ZINC000322971044 466635226 /nfs/dbraw/zinc/63/52/26/466635226.db2.gz RNQTUSOOROHCQY-TXEJJXNPSA-N 2 2 325.254 2.292 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423247207 466703321 /nfs/dbraw/zinc/70/33/21/466703321.db2.gz QHPFEQBYIPVOEB-CXAGYDPISA-N 2 2 333.457 2.409 10 0 EEAELP CCCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC[NH2+]CC1 ZINC000417066253 466769217 /nfs/dbraw/zinc/76/92/17/466769217.db2.gz CCUTXODAWYFPIF-UHFFFAOYSA-N 2 2 345.491 2.224 10 0 EEAELP Brc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000423570001 466775577 /nfs/dbraw/zinc/77/55/77/466775577.db2.gz MVDATZHLOATVMN-HUUCEWRRSA-N 2 2 325.250 2.478 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C[NH+]1CCCCC1 ZINC000370226691 466804616 /nfs/dbraw/zinc/80/46/16/466804616.db2.gz IAMWNDRWTWAPRY-HNNXBMFYSA-N 2 2 333.480 2.421 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C[NH+]1CCCCC1 ZINC000370226691 466804621 /nfs/dbraw/zinc/80/46/21/466804621.db2.gz IAMWNDRWTWAPRY-HNNXBMFYSA-N 2 2 333.480 2.421 10 0 EEAELP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000424452165 467054194 /nfs/dbraw/zinc/05/41/94/467054194.db2.gz GOAFRWZGMXBIFP-IAGOWNOFSA-N 2 2 327.432 2.001 10 0 EEAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000418720530 467149934 /nfs/dbraw/zinc/14/99/34/467149934.db2.gz JZCOSUOIOLHWET-ZIAGYGMSSA-N 2 2 349.866 2.484 10 0 EEAELP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000418728821 467151679 /nfs/dbraw/zinc/15/16/79/467151679.db2.gz NRNAMOHCPKYBHX-MRXNPFEDSA-N 2 2 338.883 2.213 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)cn21 ZINC000377932789 467167576 /nfs/dbraw/zinc/16/75/76/467167576.db2.gz OGXDLPUMBUPHCP-GOSISDBHSA-N 2 2 332.423 2.471 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)cn21 ZINC000377932789 467167578 /nfs/dbraw/zinc/16/75/78/467167578.db2.gz OGXDLPUMBUPHCP-GOSISDBHSA-N 2 2 332.423 2.471 10 0 EEAELP Cn1ccc([C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)c2ccc(F)cc2)n1 ZINC000427883030 467184600 /nfs/dbraw/zinc/18/46/00/467184600.db2.gz PPMOQFRBFRAYEU-YJBOKZPZSA-N 2 2 325.391 2.450 10 0 EEAELP CC(C)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000378069780 467190585 /nfs/dbraw/zinc/19/05/85/467190585.db2.gz CITRBMNHPDLLEJ-RKVPGOIHSA-N 2 2 348.491 2.250 10 0 EEAELP CC(C)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000378069780 467190586 /nfs/dbraw/zinc/19/05/86/467190586.db2.gz CITRBMNHPDLLEJ-RKVPGOIHSA-N 2 2 348.491 2.250 10 0 EEAELP CCC[N@H+](Cc1nnc(C)[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000428395639 467228228 /nfs/dbraw/zinc/22/82/28/467228228.db2.gz AKPCUCTUNJWMES-UHFFFAOYSA-N 2 2 343.479 2.401 10 0 EEAELP CCC[N@@H+](Cc1nnc(C)[nH]1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000428395639 467228232 /nfs/dbraw/zinc/22/82/32/467228232.db2.gz AKPCUCTUNJWMES-UHFFFAOYSA-N 2 2 343.479 2.401 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428531338 467243031 /nfs/dbraw/zinc/24/30/31/467243031.db2.gz CTAPXLWSADFIHD-INWMFGNUSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428531338 467243034 /nfs/dbraw/zinc/24/30/34/467243034.db2.gz CTAPXLWSADFIHD-INWMFGNUSA-N 2 2 341.293 2.140 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000378273819 467249847 /nfs/dbraw/zinc/24/98/47/467249847.db2.gz QXEZGDDPWAZHJX-AWEZNQCLSA-N 2 2 329.435 2.097 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000378273819 467249852 /nfs/dbraw/zinc/24/98/52/467249852.db2.gz QXEZGDDPWAZHJX-AWEZNQCLSA-N 2 2 329.435 2.097 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379656954 467369308 /nfs/dbraw/zinc/36/93/08/467369308.db2.gz QXSQXLVSJRXSLJ-RLLQIKCJSA-N 2 2 331.504 2.398 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@@H]1CCCc2ccccc21 ZINC000420378952 467385216 /nfs/dbraw/zinc/38/52/16/467385216.db2.gz QVIMUPPBEFGQAB-QUCCMNQESA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)N[C@@H]1CCCc2ccccc21 ZINC000420378952 467385221 /nfs/dbraw/zinc/38/52/21/467385221.db2.gz QVIMUPPBEFGQAB-QUCCMNQESA-N 2 2 327.472 2.256 10 0 EEAELP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000453269482 467473638 /nfs/dbraw/zinc/47/36/38/467473638.db2.gz RKQZLGIBTKHKLR-ZIAGYGMSSA-N 2 2 340.439 2.340 10 0 EEAELP COc1cc(F)c([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OC ZINC000453269482 467473642 /nfs/dbraw/zinc/47/36/42/467473642.db2.gz RKQZLGIBTKHKLR-ZIAGYGMSSA-N 2 2 340.439 2.340 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000457911953 467728763 /nfs/dbraw/zinc/72/87/63/467728763.db2.gz MROIRRJWZQXJTD-WBVHZDCISA-N 2 2 343.475 2.436 10 0 EEAELP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000530023727 467940132 /nfs/dbraw/zinc/94/01/32/467940132.db2.gz RHSNEFXNESOBLJ-MRXNPFEDSA-N 2 2 325.416 2.014 10 0 EEAELP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000530023727 467940136 /nfs/dbraw/zinc/94/01/36/467940136.db2.gz RHSNEFXNESOBLJ-MRXNPFEDSA-N 2 2 325.416 2.014 10 0 EEAELP CCCc1ccc([C@H](C)[N@H+](CCc2c[nH+]cn2C)CC(N)=O)cc1 ZINC000459363073 467955274 /nfs/dbraw/zinc/95/52/74/467955274.db2.gz XZJRCZDHFLTJLJ-HNNXBMFYSA-N 2 2 328.460 2.464 10 0 EEAELP CCCc1ccc([C@H](C)[N@@H+](CCc2c[nH+]cn2C)CC(N)=O)cc1 ZINC000459363073 467955277 /nfs/dbraw/zinc/95/52/77/467955277.db2.gz XZJRCZDHFLTJLJ-HNNXBMFYSA-N 2 2 328.460 2.464 10 0 EEAELP O=C(N1CC[NH2+]CC1)N1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000530224687 467964565 /nfs/dbraw/zinc/96/45/65/467964565.db2.gz VIAQFPMYOLBNDA-UHFFFAOYSA-N 2 2 344.484 2.044 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000487267074 468030391 /nfs/dbraw/zinc/03/03/91/468030391.db2.gz DQWSZYFLEUCMLF-LBPRGKRZSA-N 2 2 329.286 2.393 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Br)cnn2C)C1 ZINC000487267074 468030394 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CSc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000582237313 468510613 /nfs/dbraw/zinc/51/06/13/468510613.db2.gz WCAWLNDDYLHEOJ-CHWSQXEVSA-N 2 2 333.457 2.018 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@@H](c1ccccc1)C1CC1 ZINC000569724145 468534590 /nfs/dbraw/zinc/53/45/90/468534590.db2.gz ZLPMDRZBARSJTM-VQTJNVASSA-N 2 2 327.472 2.329 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@@H](c1ccccc1)C1CC1 ZINC000569724145 468534595 /nfs/dbraw/zinc/53/45/95/468534595.db2.gz ZLPMDRZBARSJTM-VQTJNVASSA-N 2 2 327.472 2.329 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000585754190 469025559 /nfs/dbraw/zinc/02/55/59/469025559.db2.gz LJUYIINRYDYUHA-QGZVFWFLSA-N 2 2 345.487 2.071 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cc1 ZINC000585754190 469025566 /nfs/dbraw/zinc/02/55/66/469025566.db2.gz LJUYIINRYDYUHA-QGZVFWFLSA-N 2 2 345.487 2.071 10 0 EEAELP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598969318 469071582 /nfs/dbraw/zinc/07/15/82/469071582.db2.gz FHGQPCVPNKRPJW-MRXNPFEDSA-N 2 2 328.478 2.106 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)s1 ZINC000595921772 469085816 /nfs/dbraw/zinc/08/58/16/469085816.db2.gz XLYMGSMBMVCORY-CYBMUJFWSA-N 2 2 334.445 2.396 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)s1 ZINC000595921772 469085824 /nfs/dbraw/zinc/08/58/24/469085824.db2.gz XLYMGSMBMVCORY-CYBMUJFWSA-N 2 2 334.445 2.396 10 0 EEAELP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573786447 469206091 /nfs/dbraw/zinc/20/60/91/469206091.db2.gz JPDFIBHRKOYXDJ-LSDHHAIUSA-N 2 2 342.846 2.215 10 0 EEAELP CN(CCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573786447 469206097 /nfs/dbraw/zinc/20/60/97/469206097.db2.gz JPDFIBHRKOYXDJ-LSDHHAIUSA-N 2 2 342.846 2.215 10 0 EEAELP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340694 469218821 /nfs/dbraw/zinc/21/88/21/469218821.db2.gz YBKPJFBPBUNNEB-HZPDHXFCSA-N 2 2 345.443 2.123 10 0 EEAELP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340694 469218828 /nfs/dbraw/zinc/21/88/28/469218828.db2.gz YBKPJFBPBUNNEB-HZPDHXFCSA-N 2 2 345.443 2.123 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616873367 469532093 /nfs/dbraw/zinc/53/20/93/469532093.db2.gz NXAZPKIWWZQDIX-CJNGLKHVSA-N 2 2 347.463 2.006 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000629524462 469573332 /nfs/dbraw/zinc/57/33/32/469573332.db2.gz MKOYODOBZUVXRE-XUVXKRRUSA-N 3 2 343.515 2.385 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000629524462 469573335 /nfs/dbraw/zinc/57/33/35/469573335.db2.gz MKOYODOBZUVXRE-XUVXKRRUSA-N 3 2 343.515 2.385 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000626370880 469589133 /nfs/dbraw/zinc/58/91/33/469589133.db2.gz YIHFSRUDIKSDIT-MAUKXSAKSA-N 2 2 340.471 2.391 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCC34CC4)C2)CC1 ZINC000623639442 469719622 /nfs/dbraw/zinc/71/96/22/469719622.db2.gz XJSWNUHVPMKDQC-HOTGVXAUSA-N 2 2 334.508 2.034 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CCCC34CC4)C2)CC1 ZINC000623639442 469719627 /nfs/dbraw/zinc/71/96/27/469719627.db2.gz XJSWNUHVPMKDQC-HOTGVXAUSA-N 2 2 334.508 2.034 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C[NH2+]1 ZINC000626996346 469782377 /nfs/dbraw/zinc/78/23/77/469782377.db2.gz PSDMCKMINNVAJK-WBVHZDCISA-N 2 2 341.459 2.066 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000617762320 469794762 /nfs/dbraw/zinc/79/47/62/469794762.db2.gz MRFKFFFHMCHTTM-KRWDZBQOSA-N 2 2 347.503 2.331 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC(C)(C)Oc2ccccc21 ZINC000617762320 469794764 /nfs/dbraw/zinc/79/47/64/469794764.db2.gz MRFKFFFHMCHTTM-KRWDZBQOSA-N 2 2 347.503 2.331 10 0 EEAELP CCc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnn1C1CCCC1 ZINC000617765093 469795974 /nfs/dbraw/zinc/79/59/74/469795974.db2.gz TVRRJFNUTIIUBV-UHFFFAOYSA-N 2 2 349.523 2.174 10 0 EEAELP CCc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnn1C1CCCC1 ZINC000617765093 469795978 /nfs/dbraw/zinc/79/59/78/469795978.db2.gz TVRRJFNUTIIUBV-UHFFFAOYSA-N 2 2 349.523 2.174 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCn1ccc2ccccc21 ZINC000617768865 469799270 /nfs/dbraw/zinc/79/92/70/469799270.db2.gz XUYMMTXVXIXJHO-UHFFFAOYSA-N 2 2 330.476 2.031 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCn1ccc2ccccc21 ZINC000617768865 469799272 /nfs/dbraw/zinc/79/92/72/469799272.db2.gz XUYMMTXVXIXJHO-UHFFFAOYSA-N 2 2 330.476 2.031 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccccc2F)on1 ZINC000617767786 469799429 /nfs/dbraw/zinc/79/94/29/469799429.db2.gz CPDLCNKFILHVAW-UHFFFAOYSA-N 2 2 348.422 2.094 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2F)on1 ZINC000617767786 469799432 /nfs/dbraw/zinc/79/94/32/469799432.db2.gz CPDLCNKFILHVAW-UHFFFAOYSA-N 2 2 348.422 2.094 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000608511074 469831709 /nfs/dbraw/zinc/83/17/09/469831709.db2.gz NDFHIGIATPNCJX-IBGZPJMESA-N 2 2 332.488 2.370 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(OCC2CC2)CC1 ZINC000608511074 469831713 /nfs/dbraw/zinc/83/17/13/469831713.db2.gz NDFHIGIATPNCJX-IBGZPJMESA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000631160003 470082961 /nfs/dbraw/zinc/08/29/61/470082961.db2.gz FRVOHMRWOIDCAN-RBUKOAKNSA-N 2 2 348.487 2.445 10 0 EEAELP COc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000625332204 470121491 /nfs/dbraw/zinc/12/14/91/470121491.db2.gz VJZZTOKNIYOSHT-CRAIPNDOSA-N 2 2 326.444 2.485 10 0 EEAELP COc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000625332204 470121494 /nfs/dbraw/zinc/12/14/94/470121494.db2.gz VJZZTOKNIYOSHT-CRAIPNDOSA-N 2 2 326.444 2.485 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885798 470189165 /nfs/dbraw/zinc/18/91/65/470189165.db2.gz DWSYNRIPZIRYHQ-FUHWJXTLSA-N 2 2 333.451 2.248 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631885798 470189166 /nfs/dbraw/zinc/18/91/66/470189166.db2.gz DWSYNRIPZIRYHQ-FUHWJXTLSA-N 2 2 333.451 2.248 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887155 470189352 /nfs/dbraw/zinc/18/93/52/470189352.db2.gz OFYSMZFWFJHCAY-AEFFLSMTSA-N 2 2 347.528 2.277 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887155 470189353 /nfs/dbraw/zinc/18/93/53/470189353.db2.gz OFYSMZFWFJHCAY-AEFFLSMTSA-N 2 2 347.528 2.277 10 0 EEAELP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631951061 470192707 /nfs/dbraw/zinc/19/27/07/470192707.db2.gz XABWKUSTMMSJRF-HKUYNNGSSA-N 2 2 338.455 2.358 10 0 EEAELP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631951061 470192708 /nfs/dbraw/zinc/19/27/08/470192708.db2.gz XABWKUSTMMSJRF-HKUYNNGSSA-N 2 2 338.455 2.358 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc2cccc(O)c21 ZINC000633616875 470532403 /nfs/dbraw/zinc/53/24/03/470532403.db2.gz HDYOQXWOPLGRRN-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc2cccc(O)c21 ZINC000633616875 470532408 /nfs/dbraw/zinc/53/24/08/470532408.db2.gz HDYOQXWOPLGRRN-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP COc1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899147 471010782 /nfs/dbraw/zinc/01/07/82/471010782.db2.gz AVEYDSJYRDZYNR-KBXCAEBGSA-N 2 2 347.459 2.106 10 0 EEAELP COc1cc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899147 471010786 /nfs/dbraw/zinc/01/07/86/471010786.db2.gz AVEYDSJYRDZYNR-KBXCAEBGSA-N 2 2 347.459 2.106 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900961 471011121 /nfs/dbraw/zinc/01/11/21/471011121.db2.gz IATXVUFTBSNNGP-YTQUADARSA-N 2 2 329.488 2.464 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900961 471011123 /nfs/dbraw/zinc/01/11/23/471011123.db2.gz IATXVUFTBSNNGP-YTQUADARSA-N 2 2 329.488 2.464 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCc1cc(F)cc(F)c1 ZINC000647900730 471011350 /nfs/dbraw/zinc/01/13/50/471011350.db2.gz FUELTRSRIJJNPV-PBHICJAKSA-N 2 2 337.414 2.045 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCc1cc(F)cc(F)c1 ZINC000647900730 471011354 /nfs/dbraw/zinc/01/13/54/471011354.db2.gz FUELTRSRIJJNPV-PBHICJAKSA-N 2 2 337.414 2.045 10 0 EEAELP Cc1ccccc1-n1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)cn1 ZINC000648008893 471048402 /nfs/dbraw/zinc/04/84/02/471048402.db2.gz CXZVUSFPIIALKG-UHFFFAOYSA-N 2 2 342.487 2.459 10 0 EEAELP Cc1ccccc1-n1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cn1 ZINC000648008893 471048405 /nfs/dbraw/zinc/04/84/05/471048405.db2.gz CXZVUSFPIIALKG-UHFFFAOYSA-N 2 2 342.487 2.459 10 0 EEAELP COc1cccc(N2CC[C@@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000657343246 471105767 /nfs/dbraw/zinc/10/57/67/471105767.db2.gz LQEIYWUQYWYUDW-HNNXBMFYSA-N 2 2 326.444 2.454 10 0 EEAELP c1cc2c(nc[nH+]c2N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000651415050 471164179 /nfs/dbraw/zinc/16/41/79/471164179.db2.gz XGWVDLSZGYDTKW-ROUUACIJSA-N 2 2 349.438 2.438 10 0 EEAELP c1cc2c(nc[nH+]c2N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000651415050 471164182 /nfs/dbraw/zinc/16/41/82/471164182.db2.gz XGWVDLSZGYDTKW-ROUUACIJSA-N 2 2 349.438 2.438 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000651530950 471200791 /nfs/dbraw/zinc/20/07/91/471200791.db2.gz NXRPCMCRSFAMIM-UHFFFAOYSA-N 2 2 330.476 2.239 10 0 EEAELP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000648437228 471205065 /nfs/dbraw/zinc/20/50/65/471205065.db2.gz FKTIMPYQBHPOAV-RDJZCZTQSA-N 2 2 335.879 2.340 10 0 EEAELP [NH3+]CC1(CCNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000652239184 471260696 /nfs/dbraw/zinc/26/06/96/471260696.db2.gz CSDUYLCWGPQRGA-DAXSKMNVSA-N 2 2 342.487 2.156 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000658167104 471273923 /nfs/dbraw/zinc/27/39/23/471273923.db2.gz DCIOGTJHIMJTOY-VNQPRFMTSA-N 2 2 325.403 2.306 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000658167104 471273925 /nfs/dbraw/zinc/27/39/25/471273925.db2.gz DCIOGTJHIMJTOY-VNQPRFMTSA-N 2 2 325.403 2.306 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357364 471278379 /nfs/dbraw/zinc/27/83/79/471278379.db2.gz LLWHKOJMRDXSQD-ILRDRHFLSA-N 2 2 347.503 2.110 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357364 471278380 /nfs/dbraw/zinc/27/83/80/471278380.db2.gz LLWHKOJMRDXSQD-ILRDRHFLSA-N 2 2 347.503 2.110 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000658342984 471291007 /nfs/dbraw/zinc/29/10/07/471291007.db2.gz PQGBUKAQNNIHLV-IYWMVGAKSA-N 2 2 343.515 2.206 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)C1 ZINC000658342984 471291010 /nfs/dbraw/zinc/29/10/10/471291010.db2.gz PQGBUKAQNNIHLV-IYWMVGAKSA-N 2 2 343.515 2.206 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)c2[nH+]ccn2C)[NH+](C)C)cc1 ZINC000660572251 471398332 /nfs/dbraw/zinc/39/83/32/471398332.db2.gz REDVBBUHXCXRJC-GOEBONIOSA-N 2 2 329.448 2.392 10 0 EEAELP CC(C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000660575113 471398735 /nfs/dbraw/zinc/39/87/35/471398735.db2.gz SBVWADMOLXXLNH-SFHVURJKSA-N 2 2 336.524 2.279 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)c1ccco1 ZINC000663848855 471547094 /nfs/dbraw/zinc/54/70/94/471547094.db2.gz NEFOBAZSRYBNNZ-UONOGXRCSA-N 2 2 333.436 2.456 10 0 EEAELP COc1c(C)[nH+]cnc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000656130229 471599145 /nfs/dbraw/zinc/59/91/45/471599145.db2.gz JUOTXGDUAWSCQQ-UHFFFAOYSA-N 2 2 342.443 2.362 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@H]3CCC[N@@H+]3CCCO)n2)C1 ZINC000656193101 471629977 /nfs/dbraw/zinc/62/99/77/471629977.db2.gz NXPWUOAQRKEQKW-MRXNPFEDSA-N 2 2 347.507 2.362 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@H]3CCC[N@H+]3CCCO)n2)C1 ZINC000656193101 471629982 /nfs/dbraw/zinc/62/99/82/471629982.db2.gz NXPWUOAQRKEQKW-MRXNPFEDSA-N 2 2 347.507 2.362 10 0 EEAELP C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664087636 471633400 /nfs/dbraw/zinc/63/34/00/471633400.db2.gz PDBKAJOTJAAMQX-YJBOKZPZSA-N 2 2 332.492 2.103 10 0 EEAELP C[C@H]1Cc2ccccc2[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664087636 471633405 /nfs/dbraw/zinc/63/34/05/471633405.db2.gz PDBKAJOTJAAMQX-YJBOKZPZSA-N 2 2 332.492 2.103 10 0 EEAELP CC(=O)c1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000667068301 471642368 /nfs/dbraw/zinc/64/23/68/471642368.db2.gz QEORPOAZGNTYID-UHFFFAOYSA-N 2 2 338.427 2.033 10 0 EEAELP CC(=O)c1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000667068301 471642373 /nfs/dbraw/zinc/64/23/73/471642373.db2.gz QEORPOAZGNTYID-UHFFFAOYSA-N 2 2 338.427 2.033 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1coc2ccccc12 ZINC000664123768 471646082 /nfs/dbraw/zinc/64/60/82/471646082.db2.gz HRCNARBGZFTYAQ-UHFFFAOYSA-N 2 2 332.448 2.116 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1coc2ccccc12 ZINC000664123768 471646088 /nfs/dbraw/zinc/64/60/88/471646088.db2.gz HRCNARBGZFTYAQ-UHFFFAOYSA-N 2 2 332.448 2.116 10 0 EEAELP COc1ccc(-c2noc(NCC[N@H+](C)CCC[NH+](C)C)n2)cc1 ZINC000664244912 471694698 /nfs/dbraw/zinc/69/46/98/471694698.db2.gz MWDMNPZOMIVJAQ-UHFFFAOYSA-N 2 2 333.436 2.041 10 0 EEAELP COc1ccc(-c2noc(NCC[N@@H+](C)CCC[NH+](C)C)n2)cc1 ZINC000664244912 471694704 /nfs/dbraw/zinc/69/47/04/471694704.db2.gz MWDMNPZOMIVJAQ-UHFFFAOYSA-N 2 2 333.436 2.041 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656701896 471811724 /nfs/dbraw/zinc/81/17/24/471811724.db2.gz FOADRAZSHVUSGK-SJORKVTESA-N 2 2 336.476 2.035 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656701896 471811727 /nfs/dbraw/zinc/81/17/27/471811727.db2.gz FOADRAZSHVUSGK-SJORKVTESA-N 2 2 336.476 2.035 10 0 EEAELP C[C@]12COC[C@@H]1C[N@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000661705879 471858234 /nfs/dbraw/zinc/85/82/34/471858234.db2.gz XRVXBKPOJDYINH-ZCNNSNEGSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@@H]1C[N@@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000661705879 471858235 /nfs/dbraw/zinc/85/82/35/471858235.db2.gz XRVXBKPOJDYINH-ZCNNSNEGSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@@H]1C[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000661705879 471858241 /nfs/dbraw/zinc/85/82/41/471858241.db2.gz XRVXBKPOJDYINH-ZCNNSNEGSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@@H]1C[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000661705879 471858245 /nfs/dbraw/zinc/85/82/45/471858245.db2.gz XRVXBKPOJDYINH-ZCNNSNEGSA-N 2 2 330.472 2.246 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667682008 471864785 /nfs/dbraw/zinc/86/47/85/471864785.db2.gz XMCJKJSLEMEGJN-IBGZPJMESA-N 3 2 343.475 2.200 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667682008 471864791 /nfs/dbraw/zinc/86/47/91/471864791.db2.gz XMCJKJSLEMEGJN-IBGZPJMESA-N 3 2 343.475 2.200 10 0 EEAELP c1cc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667683467 471865762 /nfs/dbraw/zinc/86/57/62/471865762.db2.gz QRPNYFZWGBFQJS-GOSISDBHSA-N 2 2 328.416 2.037 10 0 EEAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCn3cc[nH+]c32)cc1 ZINC000665255482 471981492 /nfs/dbraw/zinc/98/14/92/471981492.db2.gz UFUFGAUEBYZVGB-KSZLIROESA-N 2 2 326.444 2.462 10 0 EEAELP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274865 471986720 /nfs/dbraw/zinc/98/67/20/471986720.db2.gz ZSMSJJZCONMZJQ-VBSBHUPXSA-N 2 2 343.515 2.178 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000668098390 472008076 /nfs/dbraw/zinc/00/80/76/472008076.db2.gz HPTNXTZEJXFUNO-GPMSIDNRSA-N 2 2 342.443 2.426 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000668098390 472008082 /nfs/dbraw/zinc/00/80/82/472008082.db2.gz HPTNXTZEJXFUNO-GPMSIDNRSA-N 2 2 342.443 2.426 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276378 472052995 /nfs/dbraw/zinc/05/29/95/472052995.db2.gz IESCPKSPFNNANJ-YJBOKZPZSA-N 2 2 333.451 2.025 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000662318604 472067319 /nfs/dbraw/zinc/06/73/19/472067319.db2.gz CIWHLQVUDMFUOT-IBGZPJMESA-N 2 2 328.460 2.415 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000662318604 472067325 /nfs/dbraw/zinc/06/73/25/472067325.db2.gz CIWHLQVUDMFUOT-IBGZPJMESA-N 2 2 328.460 2.415 10 0 EEAELP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662318754 472067391 /nfs/dbraw/zinc/06/73/91/472067391.db2.gz FZTCEORKUWXEAD-WMZOPIPTSA-N 2 2 333.476 2.365 10 0 EEAELP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662318754 472067397 /nfs/dbraw/zinc/06/73/97/472067397.db2.gz FZTCEORKUWXEAD-WMZOPIPTSA-N 2 2 333.476 2.365 10 0 EEAELP C[NH2+][C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662400909 472097765 /nfs/dbraw/zinc/09/77/65/472097765.db2.gz IRZNWYNRGSWXIG-HZMBPMFUSA-N 2 2 330.259 2.464 10 0 EEAELP C[NH2+][C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662400909 472097771 /nfs/dbraw/zinc/09/77/71/472097771.db2.gz IRZNWYNRGSWXIG-HZMBPMFUSA-N 2 2 330.259 2.464 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[N@H+](C)Cc1ccccc1 ZINC000668568678 472179039 /nfs/dbraw/zinc/17/90/39/472179039.db2.gz JMVNLYNDXKYDDK-GDBMZVCRSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000668568678 472179047 /nfs/dbraw/zinc/17/90/47/472179047.db2.gz JMVNLYNDXKYDDK-GDBMZVCRSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000668568678 472179054 /nfs/dbraw/zinc/17/90/54/472179054.db2.gz JMVNLYNDXKYDDK-GDBMZVCRSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000668568678 472179059 /nfs/dbraw/zinc/17/90/59/472179059.db2.gz JMVNLYNDXKYDDK-GDBMZVCRSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662711743 472218875 /nfs/dbraw/zinc/21/88/75/472218875.db2.gz NWDZYDADLRMBSE-XHBSWPGZSA-N 2 2 325.403 2.344 10 0 EEAELP COc1cc2c(c(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c1)O[C@@H](C)C2 ZINC000668739734 472247741 /nfs/dbraw/zinc/24/77/41/472247741.db2.gz BWDBMMOPDRTGEZ-KBXCAEBGSA-N 2 2 346.471 2.050 10 0 EEAELP COc1cc2c(c(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)c1)O[C@@H](C)C2 ZINC000668739734 472247743 /nfs/dbraw/zinc/24/77/43/472247743.db2.gz BWDBMMOPDRTGEZ-KBXCAEBGSA-N 2 2 346.471 2.050 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]1c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000674010423 485611707 /nfs/dbraw/zinc/61/17/07/485611707.db2.gz RKIZRIFFCGBENO-GOSISDBHSA-N 2 2 331.435 2.316 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]1c1cccc(F)c1)NC1CC[NH+](C2CC2)CC1 ZINC000674010423 485611713 /nfs/dbraw/zinc/61/17/13/485611713.db2.gz RKIZRIFFCGBENO-GOSISDBHSA-N 2 2 331.435 2.316 10 0 EEAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222874 485624000 /nfs/dbraw/zinc/62/40/00/485624000.db2.gz OPCMQHYGCYSQTH-FPAYPSAMSA-N 2 2 347.478 2.446 10 0 EEAELP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222874 485624010 /nfs/dbraw/zinc/62/40/10/485624010.db2.gz OPCMQHYGCYSQTH-FPAYPSAMSA-N 2 2 347.478 2.446 10 0 EEAELP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222874 485624016 /nfs/dbraw/zinc/62/40/16/485624016.db2.gz OPCMQHYGCYSQTH-FPAYPSAMSA-N 2 2 347.478 2.446 10 0 EEAELP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679222874 485624025 /nfs/dbraw/zinc/62/40/25/485624025.db2.gz OPCMQHYGCYSQTH-FPAYPSAMSA-N 2 2 347.478 2.446 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)CC2 ZINC000679897569 485838413 /nfs/dbraw/zinc/83/84/13/485838413.db2.gz OHUGXCPRBJIUMU-AEFFLSMTSA-N 2 2 339.443 2.162 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)CC2 ZINC000679897569 485838419 /nfs/dbraw/zinc/83/84/19/485838419.db2.gz OHUGXCPRBJIUMU-AEFFLSMTSA-N 2 2 339.443 2.162 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(F)(F)F)OC[C@H]2C)CC1 ZINC000671710248 485979420 /nfs/dbraw/zinc/97/94/20/485979420.db2.gz ZPODKUWONBFRRU-HUUCEWRRSA-N 2 2 337.430 2.054 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C(F)(F)F)OC[C@H]2C)CC1 ZINC000671710248 485979426 /nfs/dbraw/zinc/97/94/26/485979426.db2.gz ZPODKUWONBFRRU-HUUCEWRRSA-N 2 2 337.430 2.054 10 0 EEAELP O=C(N[C@H]1CCc2c[nH+]cn2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000672153516 486055923 /nfs/dbraw/zinc/05/59/23/486055923.db2.gz YZMXREURAZQKEB-SFHVURJKSA-N 2 2 338.455 2.226 10 0 EEAELP COc1c(O)cccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685458035 486123526 /nfs/dbraw/zinc/12/35/26/486123526.db2.gz YMELYRFKWKMCEB-KRWDZBQOSA-N 2 2 333.476 2.001 10 0 EEAELP COc1c(O)cccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685458035 486123532 /nfs/dbraw/zinc/12/35/32/486123532.db2.gz YMELYRFKWKMCEB-KRWDZBQOSA-N 2 2 333.476 2.001 10 0 EEAELP COc1c(O)cccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458035 486123535 /nfs/dbraw/zinc/12/35/35/486123535.db2.gz YMELYRFKWKMCEB-KRWDZBQOSA-N 2 2 333.476 2.001 10 0 EEAELP COc1c(O)cccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458035 486123540 /nfs/dbraw/zinc/12/35/40/486123540.db2.gz YMELYRFKWKMCEB-KRWDZBQOSA-N 2 2 333.476 2.001 10 0 EEAELP Cc1cccn2cc(CC(=O)NC3CCC(C[NH+](C)C)CC3)[nH+]c12 ZINC000676729388 486294602 /nfs/dbraw/zinc/29/46/02/486294602.db2.gz LTEIKZXJHCQDNB-UHFFFAOYSA-N 2 2 328.460 2.422 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@H](C)C3CC[NH+](C)CC3)c2cc1C ZINC000678586474 486646077 /nfs/dbraw/zinc/64/60/77/486646077.db2.gz HJFAZQVUQVUTSE-AEFFLSMTSA-N 3 2 344.503 2.334 10 0 EEAELP Cn1ncc2c1nc[nH+]c2N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171366305 534838346 /nfs/dbraw/zinc/83/83/46/534838346.db2.gz WTWONVSBOVCBCD-OAHLLOKOSA-N 2 2 328.464 2.456 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000422014154 535463626 /nfs/dbraw/zinc/46/36/26/535463626.db2.gz GGDRYNZALXGCRZ-KSZLIROESA-N 2 2 333.520 2.441 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000422014154 535463631 /nfs/dbraw/zinc/46/36/31/535463631.db2.gz GGDRYNZALXGCRZ-KSZLIROESA-N 2 2 333.520 2.441 10 0 EEAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765988827 577510826 /nfs/dbraw/zinc/51/08/26/577510826.db2.gz UHLHAONOTFKGRT-GLJUWKHASA-N 2 2 335.467 2.388 10 0 EEAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765988827 577510827 /nfs/dbraw/zinc/51/08/27/577510827.db2.gz UHLHAONOTFKGRT-GLJUWKHASA-N 2 2 335.467 2.388 10 0 EEAELP CC1(C)C[C@H]([NH2+]CCCN2CCOC2=O)C[N@@H+]1Cc1ccccc1 ZINC000762477634 577701824 /nfs/dbraw/zinc/70/18/24/577701824.db2.gz VTFQSCRDDFVBCV-KRWDZBQOSA-N 2 2 331.460 2.471 10 0 EEAELP CC1(C)C[C@H]([NH2+]CCCN2CCOC2=O)C[N@H+]1Cc1ccccc1 ZINC000762477634 577701825 /nfs/dbraw/zinc/70/18/25/577701825.db2.gz VTFQSCRDDFVBCV-KRWDZBQOSA-N 2 2 331.460 2.471 10 0 EEAELP Cc1cc(Br)cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)c1 ZINC000774990781 578265988 /nfs/dbraw/zinc/26/59/88/578265988.db2.gz DCNQNRLUKIOWBX-HNNXBMFYSA-N 2 2 326.282 2.093 10 0 EEAELP Cc1cc(Br)cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)c1 ZINC000774990781 578265989 /nfs/dbraw/zinc/26/59/89/578265989.db2.gz DCNQNRLUKIOWBX-HNNXBMFYSA-N 2 2 326.282 2.093 10 0 EEAELP C[C@]1(C[N@H+](CCO)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000262020747 677845335 /nfs/dbraw/zinc/84/53/35/677845335.db2.gz NEEQHCXWYCKFOW-ZDUSSCGKSA-N 2 2 333.295 2.305 10 0 EEAELP C[C@]1(C[N@@H+](CCO)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000262020747 677845336 /nfs/dbraw/zinc/84/53/36/677845336.db2.gz NEEQHCXWYCKFOW-ZDUSSCGKSA-N 2 2 333.295 2.305 10 0 EEAELP C[C@]1(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC[NH2+]C1 ZINC000261716714 676388826 /nfs/dbraw/zinc/38/88/26/676388826.db2.gz FFTFXAHNMYLMSC-SFHVURJKSA-N 2 2 347.894 2.105 10 0 EEAELP C[NH+](C)C1(C)CC[NH+](C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000931355133 685027311 /nfs/dbraw/zinc/02/73/11/685027311.db2.gz QBEVIPLOWCZEEX-HNNXBMFYSA-N 2 2 341.496 2.038 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001485701295 1191905329 /nfs/dbraw/zinc/90/53/29/1191905329.db2.gz YKAZYZCISUZSKI-SRVKXCTJSA-N 2 2 345.274 2.021 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]Cc2cnoc2C)c[nH+]1 ZINC001485727863 1191919583 /nfs/dbraw/zinc/91/95/83/1191919583.db2.gz PCOQVQDKTGTLGD-ZDUSSCGKSA-N 2 2 347.463 2.298 10 0 EEAELP CCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001266486577 1176622724 /nfs/dbraw/zinc/62/27/24/1176622724.db2.gz PPPCGZKKYXVLIY-ZACQAIPSSA-N 2 2 348.491 2.108 10 0 EEAELP CCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001266486577 1176622730 /nfs/dbraw/zinc/62/27/30/1176622730.db2.gz PPPCGZKKYXVLIY-ZACQAIPSSA-N 2 2 348.491 2.108 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266661989 1177081426 /nfs/dbraw/zinc/08/14/26/1177081426.db2.gz BQXBECOQEVPHFC-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266661989 1177081432 /nfs/dbraw/zinc/08/14/32/1177081432.db2.gz BQXBECOQEVPHFC-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)c1cccc2[nH+]ccn21 ZINC001266773643 1177398178 /nfs/dbraw/zinc/39/81/78/1177398178.db2.gz TVTNFBTVAOLPLC-OWCLPIDISA-N 2 2 326.444 2.432 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691097395 1177573999 /nfs/dbraw/zinc/57/39/99/1177573999.db2.gz KPWNMNOZVFFMJU-HDNKPZPWSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691097395 1177574004 /nfs/dbraw/zinc/57/40/04/1177574004.db2.gz KPWNMNOZVFFMJU-HDNKPZPWSA-N 2 2 330.476 2.461 10 0 EEAELP O=C(NC[C@@H]1CC[N@@H+](CCCCCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691149677 1177641719 /nfs/dbraw/zinc/64/17/19/1177641719.db2.gz ZYEYTKWHJGFFNN-JKSUJKDBSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(NC[C@@H]1CC[N@H+](CCCCCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691149677 1177641723 /nfs/dbraw/zinc/64/17/23/1177641723.db2.gz ZYEYTKWHJGFFNN-JKSUJKDBSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@@H](O)CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001266873432 1177675022 /nfs/dbraw/zinc/67/50/22/1177675022.db2.gz XTNFRPIBUJHDID-CVEARBPZSA-N 2 2 344.459 2.080 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CC[NH2+]Cc1ccccn1 ZINC001691308783 1177882511 /nfs/dbraw/zinc/88/25/11/1177882511.db2.gz GXRWAUIEPIKGCU-AEFFLSMTSA-N 2 2 341.459 2.085 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001267274620 1178657777 /nfs/dbraw/zinc/65/77/77/1178657777.db2.gz CCRLVXUPXQWJLI-GOSISDBHSA-N 2 2 342.443 2.103 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001267274620 1178657781 /nfs/dbraw/zinc/65/77/81/1178657781.db2.gz CCRLVXUPXQWJLI-GOSISDBHSA-N 2 2 342.443 2.103 10 0 EEAELP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001691443801 1178822385 /nfs/dbraw/zinc/82/23/85/1178822385.db2.gz GJADHJITAQIDPC-SHCNBLLESA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH2+]CCN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001691443801 1178822394 /nfs/dbraw/zinc/82/23/94/1178822394.db2.gz GJADHJITAQIDPC-SHCNBLLESA-N 2 2 337.508 2.034 10 0 EEAELP Cc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267396366 1178966317 /nfs/dbraw/zinc/96/63/17/1178966317.db2.gz TUGHTJKOIGWZGP-QGZVFWFLSA-N 2 2 326.444 2.002 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1)n1cc[nH+]c1 ZINC001267433999 1179001448 /nfs/dbraw/zinc/00/14/48/1179001448.db2.gz PMJXINWACTVLGY-OAHLLOKOSA-N 2 2 346.479 2.034 10 0 EEAELP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1ccc(Cl)nc1 ZINC001493324759 1179091818 /nfs/dbraw/zinc/09/18/18/1179091818.db2.gz GYXNAGGTOIKFBJ-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1ccc(Cl)nc1 ZINC001493324759 1179091826 /nfs/dbraw/zinc/09/18/26/1179091826.db2.gz GYXNAGGTOIKFBJ-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]C[C@H]3CCO[C@@H](C)C3)ccn12 ZINC001481230042 1180364513 /nfs/dbraw/zinc/36/45/13/1180364513.db2.gz DELUVIWBHXJRPH-HOTGVXAUSA-N 2 2 344.459 2.119 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267766168 1180450083 /nfs/dbraw/zinc/45/00/83/1180450083.db2.gz DRQWAGMPBCTTAQ-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001267766168 1180450087 /nfs/dbraw/zinc/45/00/87/1180450087.db2.gz DRQWAGMPBCTTAQ-GVDBMIGSSA-N 2 2 348.491 2.109 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]Cc1csc(C2CC2)n1)n1cc[nH+]c1 ZINC001691495053 1181538853 /nfs/dbraw/zinc/53/88/53/1181538853.db2.gz CYCUOZFRTDMGRE-CYBMUJFWSA-N 2 2 347.488 2.416 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001268065890 1181656969 /nfs/dbraw/zinc/65/69/69/1181656969.db2.gz ILQGKNSMQPJWRL-INIZCTEOSA-N 2 2 328.460 2.330 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001268065890 1181656974 /nfs/dbraw/zinc/65/69/74/1181656974.db2.gz ILQGKNSMQPJWRL-INIZCTEOSA-N 2 2 328.460 2.330 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268070196 1181667579 /nfs/dbraw/zinc/66/75/79/1181667579.db2.gz CYHAUENJOBJBGI-AEFFLSMTSA-N 2 2 340.471 2.125 10 0 EEAELP CCOCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001268158345 1181865536 /nfs/dbraw/zinc/86/55/36/1181865536.db2.gz ZBOLYJGPEYYRNM-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1C[NH+](CCCCc2ccccc2)C1 ZINC001481646144 1182065683 /nfs/dbraw/zinc/06/56/83/1182065683.db2.gz GKMXQUKPFZZIJB-UHFFFAOYSA-N 2 2 326.444 2.023 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001481703101 1182244261 /nfs/dbraw/zinc/24/42/61/1182244261.db2.gz NFMGRRQLLWFEBX-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001481703101 1182244268 /nfs/dbraw/zinc/24/42/68/1182244268.db2.gz NFMGRRQLLWFEBX-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001481708710 1182269069 /nfs/dbraw/zinc/26/90/69/1182269069.db2.gz KNHHAHPELXAZBC-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC001481708710 1182269078 /nfs/dbraw/zinc/26/90/78/1182269078.db2.gz KNHHAHPELXAZBC-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCCC(C)(C)C)C2CC2)C1 ZINC001481921257 1182952477 /nfs/dbraw/zinc/95/24/77/1182952477.db2.gz BXRAYOXNGBWKBD-VQIMIIECSA-N 2 2 339.524 2.018 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCCC(C)(C)C)C2CC2)C1 ZINC001481921257 1182952480 /nfs/dbraw/zinc/95/24/80/1182952480.db2.gz BXRAYOXNGBWKBD-VQIMIIECSA-N 2 2 339.524 2.018 10 0 EEAELP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001268493183 1182993538 /nfs/dbraw/zinc/99/35/38/1182993538.db2.gz CFIJEOLRYXGRIA-JXMROGBWSA-N 2 2 326.444 2.412 10 0 EEAELP C[C@H](C[NH2+]Cc1nc2ccccc2o1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268663819 1183590989 /nfs/dbraw/zinc/59/09/89/1183590989.db2.gz ZAHLSBISGYMUNZ-KGLIPLIRSA-N 2 2 341.415 2.270 10 0 EEAELP COCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001269742248 1184580160 /nfs/dbraw/zinc/58/01/60/1184580160.db2.gz RFYSWOUFCDWIKO-MJGOQNOKSA-N 2 2 348.491 2.185 10 0 EEAELP COCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001269742248 1184580164 /nfs/dbraw/zinc/58/01/64/1184580164.db2.gz RFYSWOUFCDWIKO-MJGOQNOKSA-N 2 2 348.491 2.185 10 0 EEAELP Cc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001271156613 1185991294 /nfs/dbraw/zinc/99/12/94/1185991294.db2.gz YMFHJRVZVIIWBP-MRXNPFEDSA-N 2 2 328.460 2.330 10 0 EEAELP CN(CC[N@H+](C)Cc1ccns1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001482606453 1187360638 /nfs/dbraw/zinc/36/06/38/1187360638.db2.gz PTYWCXUKKAYSFM-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccns1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001482606453 1187360641 /nfs/dbraw/zinc/36/06/41/1187360641.db2.gz PTYWCXUKKAYSFM-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1ccns1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001482606453 1187360643 /nfs/dbraw/zinc/36/06/43/1187360643.db2.gz PTYWCXUKKAYSFM-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1ccns1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001482606453 1187360644 /nfs/dbraw/zinc/36/06/44/1187360644.db2.gz PTYWCXUKKAYSFM-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001482845991 1187764993 /nfs/dbraw/zinc/76/49/93/1187764993.db2.gz QNURMQYZYVXCAW-WMZOPIPTSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@H](CC[NH2+]CCC[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482848025 1187767013 /nfs/dbraw/zinc/76/70/13/1187767013.db2.gz WEGCRZQCBUEMFZ-LSDHHAIUSA-N 2 2 344.459 2.478 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1F ZINC001482858595 1187780327 /nfs/dbraw/zinc/78/03/27/1187780327.db2.gz AXSJMYGSQSHMIB-HNNXBMFYSA-N 2 2 332.423 2.405 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)CCc2[nH+]ccn2C)c(C)s1 ZINC001483038033 1188081798 /nfs/dbraw/zinc/08/17/98/1188081798.db2.gz RORVTGHNLGFHOB-PLNGDYQASA-N 2 2 346.500 2.493 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001483089940 1188455079 /nfs/dbraw/zinc/45/50/79/1188455079.db2.gz YSHUEXBQJMTQKX-ISZGNANSSA-N 2 2 342.443 2.292 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CCC3CCOCC3)ccn12 ZINC001483227395 1189508950 /nfs/dbraw/zinc/50/89/50/1189508950.db2.gz FMLXERDFHRJPSI-AWEZNQCLSA-N 2 2 344.459 2.167 10 0 EEAELP CC(C)c1ocnc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001409388579 1189610280 /nfs/dbraw/zinc/61/02/80/1189610280.db2.gz SWPHZWMUUZUURF-KBPBESRZSA-N 2 2 333.436 2.068 10 0 EEAELP CO[C@H](C[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001409581425 1190067656 /nfs/dbraw/zinc/06/76/56/1190067656.db2.gz HYOHGACHGBFWIJ-WMLDXEAASA-N 2 2 344.459 2.200 10 0 EEAELP CO[C@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001409581425 1190067659 /nfs/dbraw/zinc/06/76/59/1190067659.db2.gz HYOHGACHGBFWIJ-WMLDXEAASA-N 2 2 344.459 2.200 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H]1CCc2c1c(F)ccc2F ZINC001409687517 1190186374 /nfs/dbraw/zinc/18/63/74/1190186374.db2.gz FJJIZZZFSMRIAY-LRDDRELGSA-N 2 2 348.397 2.285 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H]1CCc2c1c(F)ccc2F ZINC001409687517 1190186378 /nfs/dbraw/zinc/18/63/78/1190186378.db2.gz FJJIZZZFSMRIAY-LRDDRELGSA-N 2 2 348.397 2.285 10 0 EEAELP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001483349128 1190384698 /nfs/dbraw/zinc/38/46/98/1190384698.db2.gz JRPAUVGKGKXVGH-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001483349128 1190384703 /nfs/dbraw/zinc/38/47/03/1190384703.db2.gz JRPAUVGKGKXVGH-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001483349128 1190384707 /nfs/dbraw/zinc/38/47/07/1190384707.db2.gz JRPAUVGKGKXVGH-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001483349128 1190384714 /nfs/dbraw/zinc/38/47/14/1190384714.db2.gz JRPAUVGKGKXVGH-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1cc(Cl)ccc1C[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001483427886 1190475322 /nfs/dbraw/zinc/47/53/22/1190475322.db2.gz WEQDZOIMMLMLGK-CQSZACIVSA-N 2 2 334.851 2.482 10 0 EEAELP COCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001486107998 1193684528 /nfs/dbraw/zinc/68/45/28/1193684528.db2.gz GJYPSJRUCZBQQD-WMLDXEAASA-N 2 2 344.459 2.262 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001483702549 1190776553 /nfs/dbraw/zinc/77/65/53/1190776553.db2.gz PZJLGSUZQQGVFU-QGZVFWFLSA-N 2 2 337.427 2.064 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC001483702549 1190776556 /nfs/dbraw/zinc/77/65/56/1190776556.db2.gz PZJLGSUZQQGVFU-QGZVFWFLSA-N 2 2 337.427 2.064 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC001483703339 1190777265 /nfs/dbraw/zinc/77/72/65/1190777265.db2.gz VRXNZOQWNKLOHO-INIZCTEOSA-N 2 2 337.414 2.411 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC001483703339 1190777267 /nfs/dbraw/zinc/77/72/67/1190777267.db2.gz VRXNZOQWNKLOHO-INIZCTEOSA-N 2 2 337.414 2.411 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001483848527 1191084328 /nfs/dbraw/zinc/08/43/28/1191084328.db2.gz VMKYTOOLURKZSC-LJQANCHMSA-N 2 2 348.491 2.002 10 0 EEAELP COCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001483848527 1191084331 /nfs/dbraw/zinc/08/43/31/1191084331.db2.gz VMKYTOOLURKZSC-LJQANCHMSA-N 2 2 348.491 2.002 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001483930052 1191121932 /nfs/dbraw/zinc/12/19/32/1191121932.db2.gz WOUDAEHEUXGGJI-IJVDHGTGSA-N 2 2 336.867 2.095 10 0 EEAELP CCOCCC[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001484370874 1191319258 /nfs/dbraw/zinc/31/92/58/1191319258.db2.gz FFQXNWGIVHUZRT-GOEBONIOSA-N 2 2 344.459 2.287 10 0 EEAELP COCCCC[NH+]1CCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001484583078 1191426792 /nfs/dbraw/zinc/42/67/92/1191426792.db2.gz VTDUFHQIYYXRMA-KRWDZBQOSA-N 2 2 348.491 2.185 10 0 EEAELP CCc1cnc(C[NH2+]C2(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CCC2)o1 ZINC001484663016 1191463074 /nfs/dbraw/zinc/46/30/74/1191463074.db2.gz DKHVDFHZEROCRC-GJZGRUSLSA-N 2 2 348.491 2.238 10 0 EEAELP CC1([NH2+]CC[C@@H]2CCOC2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001484928313 1191574102 /nfs/dbraw/zinc/57/41/02/1191574102.db2.gz ODXSLAQIFWBLNK-QGZVFWFLSA-N 2 2 348.491 2.061 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[NH+]2C(C)C)n1 ZINC001485299434 1191725385 /nfs/dbraw/zinc/72/53/85/1191725385.db2.gz KARQPXVOAVSEKA-WMZOPIPTSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[NH+]2C(C)C)n1 ZINC001485299434 1191725387 /nfs/dbraw/zinc/72/53/87/1191725387.db2.gz KARQPXVOAVSEKA-WMZOPIPTSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001485299434 1191725389 /nfs/dbraw/zinc/72/53/89/1191725389.db2.gz KARQPXVOAVSEKA-WMZOPIPTSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)n1 ZINC001485299434 1191725391 /nfs/dbraw/zinc/72/53/91/1191725391.db2.gz KARQPXVOAVSEKA-WMZOPIPTSA-N 2 2 349.523 2.273 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)Cc1cccc(F)c1 ZINC001485319386 1191733566 /nfs/dbraw/zinc/73/35/66/1191733566.db2.gz HUUVZVUNSIRAGQ-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)Cc1cccc(F)c1 ZINC001485319386 1191733568 /nfs/dbraw/zinc/73/35/68/1191733568.db2.gz HUUVZVUNSIRAGQ-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1ccncc1C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001485355342 1191760277 /nfs/dbraw/zinc/76/02/77/1191760277.db2.gz FUCPSINKZATAAV-CVEARBPZSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ccncc1C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001485355342 1191760279 /nfs/dbraw/zinc/76/02/79/1191760279.db2.gz FUCPSINKZATAAV-CVEARBPZSA-N 2 2 329.448 2.174 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(F)(F)F)[C@@H]2C1 ZINC001486167440 1193709506 /nfs/dbraw/zinc/70/95/06/1193709506.db2.gz PXPRWWNHYGIUME-BFHYXJOUSA-N 2 2 344.381 2.052 10 0 EEAELP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cccc(F)c1F ZINC001486180511 1193717446 /nfs/dbraw/zinc/71/74/46/1193717446.db2.gz NGTLBOFNPRDALR-XJKSGUPXSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cccc(F)c1F ZINC001486180511 1193717448 /nfs/dbraw/zinc/71/74/48/1193717448.db2.gz NGTLBOFNPRDALR-XJKSGUPXSA-N 2 2 339.430 2.386 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2nocc2C)[C@H]1C ZINC001486184489 1193723900 /nfs/dbraw/zinc/72/39/00/1193723900.db2.gz VFLMOSHRLLEFMY-JKSUJKDBSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2nocc2C)[C@H]1C ZINC001486184489 1193723905 /nfs/dbraw/zinc/72/39/05/1193723905.db2.gz VFLMOSHRLLEFMY-JKSUJKDBSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2nocc2C)[C@H]1C ZINC001486184489 1193723909 /nfs/dbraw/zinc/72/39/09/1193723909.db2.gz VFLMOSHRLLEFMY-JKSUJKDBSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2nocc2C)[C@H]1C ZINC001486184489 1193723914 /nfs/dbraw/zinc/72/39/14/1193723914.db2.gz VFLMOSHRLLEFMY-JKSUJKDBSA-N 2 2 336.480 2.184 10 0 EEAELP CC1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@@H]1[NH2+]C/C=C\Cl ZINC001486236081 1193762306 /nfs/dbraw/zinc/76/23/06/1193762306.db2.gz LYDAJIBLKADOIP-QLGVYERUSA-N 2 2 336.867 2.025 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001486422700 1193936604 /nfs/dbraw/zinc/93/66/04/1193936604.db2.gz MBINFBSAMYCUSW-OAHLLOKOSA-N 2 2 349.504 2.011 10 0 EEAELP Cc1oncc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001410297967 1197677544 /nfs/dbraw/zinc/67/75/44/1197677544.db2.gz ASHHECQSXDVMJQ-CXAGYDPISA-N 2 2 345.447 2.157 10 0 EEAELP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)co1 ZINC000872144184 1198053654 /nfs/dbraw/zinc/05/36/54/1198053654.db2.gz XATIBCWWKDSFGX-GFCCVEGCSA-N 2 2 333.354 2.118 10 0 EEAELP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)co1 ZINC000872144184 1198053660 /nfs/dbraw/zinc/05/36/60/1198053660.db2.gz XATIBCWWKDSFGX-GFCCVEGCSA-N 2 2 333.354 2.118 10 0 EEAELP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865525392 1198260155 /nfs/dbraw/zinc/26/01/55/1198260155.db2.gz ZSSTXPIGCYBFSH-HXUWFJFHSA-N 2 2 340.471 2.465 10 0 EEAELP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865525392 1198260157 /nfs/dbraw/zinc/26/01/57/1198260157.db2.gz ZSSTXPIGCYBFSH-HXUWFJFHSA-N 2 2 340.471 2.465 10 0 EEAELP C[NH+]1CCC(C[NH2+]Cc2nnn(C(C)(C)C)n2)(c2ccccc2)CC1 ZINC000865774351 1198370583 /nfs/dbraw/zinc/37/05/83/1198370583.db2.gz IEOIMSHMFVGZKF-UHFFFAOYSA-N 2 2 342.491 2.181 10 0 EEAELP C[C@H](F)CC[NH+]1CCC(C2(NC(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001411251513 1198974564 /nfs/dbraw/zinc/97/45/64/1198974564.db2.gz JYYHJRVDDRTPNC-AWEZNQCLSA-N 2 2 336.455 2.451 10 0 EEAELP C[C@H](F)CC[NH+]1CCC(C2(NC(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001411251513 1198974568 /nfs/dbraw/zinc/97/45/68/1198974568.db2.gz JYYHJRVDDRTPNC-AWEZNQCLSA-N 2 2 336.455 2.451 10 0 EEAELP CCOC(=O)[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC000880159834 1201406660 /nfs/dbraw/zinc/40/66/60/1201406660.db2.gz WJQBTUXLJBTYIN-CHWSQXEVSA-N 2 2 333.354 2.026 10 0 EEAELP CCOC(=O)[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C(F)(F)F ZINC000880159834 1201406663 /nfs/dbraw/zinc/40/66/63/1201406663.db2.gz WJQBTUXLJBTYIN-CHWSQXEVSA-N 2 2 333.354 2.026 10 0 EEAELP CC(C)[C@H](C[NH2+][C@@H]1c2ccccc2OC[C@H]1F)N1CC[NH+](C)CC1 ZINC000866227303 1201470697 /nfs/dbraw/zinc/47/06/97/1201470697.db2.gz SGRXBXWOBVDWAR-ZIFCJYIRSA-N 2 2 335.467 2.320 10 0 EEAELP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000866395878 1201507565 /nfs/dbraw/zinc/50/75/65/1201507565.db2.gz HMBGYAMIBLNTNM-KKXDTOCCSA-N 2 2 333.451 2.379 10 0 EEAELP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000866395878 1201507569 /nfs/dbraw/zinc/50/75/69/1201507569.db2.gz HMBGYAMIBLNTNM-KKXDTOCCSA-N 2 2 333.451 2.379 10 0 EEAELP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709008 1201586447 /nfs/dbraw/zinc/58/64/47/1201586447.db2.gz ULEKXQILMAILFO-LJQANCHMSA-N 2 2 347.459 2.109 10 0 EEAELP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866709008 1201586451 /nfs/dbraw/zinc/58/64/51/1201586451.db2.gz ULEKXQILMAILFO-LJQANCHMSA-N 2 2 347.459 2.109 10 0 EEAELP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000882398322 1201866312 /nfs/dbraw/zinc/86/63/12/1201866312.db2.gz UXDXWYZVNAAANM-QGZVFWFLSA-N 2 2 339.443 2.265 10 0 EEAELP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000882398322 1201866315 /nfs/dbraw/zinc/86/63/15/1201866315.db2.gz UXDXWYZVNAAANM-QGZVFWFLSA-N 2 2 339.443 2.265 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)c1C ZINC000827975604 1202061770 /nfs/dbraw/zinc/06/17/70/1202061770.db2.gz JRCMBTDDPHJGRW-HNNXBMFYSA-N 2 2 331.391 2.205 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001274261052 1204978036 /nfs/dbraw/zinc/97/80/36/1204978036.db2.gz ORLXRJNCSCOXAT-AAEUAGOBSA-N 2 2 332.370 2.121 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCCc1ccccc1 ZINC001274270262 1204981298 /nfs/dbraw/zinc/98/12/98/1204981298.db2.gz MJQJRDUFSXYWIW-WMZOPIPTSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001274289729 1204987743 /nfs/dbraw/zinc/98/77/43/1204987743.db2.gz PXXGEPOJQRMVHW-QAPCUYQASA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F ZINC001275360999 1205320519 /nfs/dbraw/zinc/32/05/19/1205320519.db2.gz RKTAGYKIHFLTRF-KGLIPLIRSA-N 2 2 332.423 2.064 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F ZINC001275360999 1205320522 /nfs/dbraw/zinc/32/05/22/1205320522.db2.gz RKTAGYKIHFLTRF-KGLIPLIRSA-N 2 2 332.423 2.064 10 0 EEAELP Cc1ncsc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275452477 1205367445 /nfs/dbraw/zinc/36/74/45/1205367445.db2.gz PTFLRKZTDLAIII-NWDGAFQWSA-N 2 2 343.456 2.396 10 0 EEAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccnnc1 ZINC000924609181 1206003266 /nfs/dbraw/zinc/00/32/66/1206003266.db2.gz BUZGIJUSBVXPNT-KRWDZBQOSA-N 2 2 325.460 2.340 10 0 EEAELP Cc1nnsc1[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000930130662 1206536530 /nfs/dbraw/zinc/53/65/30/1206536530.db2.gz RSPIGFFIZNHKTG-OAHLLOKOSA-N 2 2 337.537 2.398 10 0 EEAELP Cc1cc(NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c(C)c[nH+]1 ZINC000930625008 1206571380 /nfs/dbraw/zinc/57/13/80/1206571380.db2.gz DJVFKAWMOMSDEY-MRXNPFEDSA-N 2 2 327.432 2.330 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)/C=C(\C)C[NH+]1CCOCC1)c1ccco1 ZINC000900407198 1234323527 /nfs/dbraw/zinc/32/35/27/1234323527.db2.gz YFCUSQPYKLYMPW-MAUBAPBLSA-N 2 2 349.475 2.057 10 0 EEAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)[nH+]c2)C1 ZINC000902921497 1239098836 /nfs/dbraw/zinc/09/88/36/1239098836.db2.gz WCSSSXNBGQYNGX-QRNRZKQXSA-N 2 2 342.487 2.447 10 0 EEAELP COCCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902959000 1239194455 /nfs/dbraw/zinc/19/44/55/1239194455.db2.gz AHCWGPWDOTWTFG-KFKAGJAMSA-N 2 2 345.443 2.343 10 0 EEAELP COc1c(C)cc(C[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1C ZINC000903888654 1242340488 /nfs/dbraw/zinc/34/04/88/1242340488.db2.gz IBXAMKHNLBYYGX-KRWDZBQOSA-N 2 2 343.475 2.460 10 0 EEAELP COc1c(C)cc(C[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1C ZINC000903888654 1242340493 /nfs/dbraw/zinc/34/04/93/1242340493.db2.gz IBXAMKHNLBYYGX-KRWDZBQOSA-N 2 2 343.475 2.460 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001491116769 1258711675 /nfs/dbraw/zinc/71/16/75/1258711675.db2.gz BOHTZRFQYFERPZ-CABCVRRESA-N 2 2 347.488 2.319 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001491116769 1258711680 /nfs/dbraw/zinc/71/16/80/1258711680.db2.gz BOHTZRFQYFERPZ-CABCVRRESA-N 2 2 347.488 2.319 10 0 EEAELP CCN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)Cc1[nH]cc[nH+]1 ZINC001273680480 1283220523 /nfs/dbraw/zinc/22/05/23/1283220523.db2.gz GIAQDOZRIPYDGS-UHFFFAOYSA-N 2 2 328.407 2.216 10 0 EEAELP CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001488838743 1290259254 /nfs/dbraw/zinc/25/92/54/1290259254.db2.gz UVOPBUHGWVDTAX-JYJNAYRXSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cccc(C2(O)CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)c1C ZINC000851783936 1291830712 /nfs/dbraw/zinc/83/07/12/1291830712.db2.gz IGGLYUIUAZTGJG-SFHVURJKSA-N 2 2 334.504 2.288 10 0 EEAELP Cc1cccc(C2(O)CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1C ZINC000851783936 1291830724 /nfs/dbraw/zinc/83/07/24/1291830724.db2.gz IGGLYUIUAZTGJG-SFHVURJKSA-N 2 2 334.504 2.288 10 0 EEAELP CCCCCC[C@@](O)(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(=O)OC ZINC000851802981 1291845412 /nfs/dbraw/zinc/84/54/12/1291845412.db2.gz MQBBKZHZXNMXEK-GOSISDBHSA-N 2 2 337.464 2.464 10 0 EEAELP C[NH+](C)CCC[C@@H]1CN(c2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000853989900 1292573391 /nfs/dbraw/zinc/57/33/91/1292573391.db2.gz HEDGTZPDFYHASV-CQSZACIVSA-N 2 2 346.479 2.128 10 0 EEAELP C/C(=C/C(=O)Nc1ccc(CC[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000857841636 1293928036 /nfs/dbraw/zinc/92/80/36/1293928036.db2.gz SINMOHNCJXKPMR-PEZBUJJGSA-N 2 2 331.460 2.008 10 0 EEAELP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCc3c[nH]nc32)c2cccs2)CC1 ZINC000857845450 1293928395 /nfs/dbraw/zinc/92/83/95/1293928395.db2.gz JQLOILDEPJJFDF-CVEARBPZSA-N 2 2 345.516 2.427 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2scnc21 ZINC000859359980 1294409588 /nfs/dbraw/zinc/40/95/88/1294409588.db2.gz WAFVKYIGAREHFF-UHFFFAOYSA-N 2 2 346.500 2.394 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2scnc21 ZINC000859359980 1294409595 /nfs/dbraw/zinc/40/95/95/1294409595.db2.gz WAFVKYIGAREHFF-UHFFFAOYSA-N 2 2 346.500 2.394 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC001276839129 1299865864 /nfs/dbraw/zinc/86/58/64/1299865864.db2.gz GHFNKHQAPCVPOB-HRCADAONSA-N 2 2 336.455 2.309 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC001276839129 1299865875 /nfs/dbraw/zinc/86/58/75/1299865875.db2.gz GHFNKHQAPCVPOB-HRCADAONSA-N 2 2 336.455 2.309 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCCOc1ccccc1 ZINC001277947864 1305246153 /nfs/dbraw/zinc/24/61/53/1305246153.db2.gz QKUCNKMHQWHYHP-KRWDZBQOSA-N 2 2 342.443 2.002 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@H+](C)CN1Cc2cccnc2C1=O ZINC000840052793 1315283968 /nfs/dbraw/zinc/28/39/68/1315283968.db2.gz DJZSZZBOKWTUSL-UHFFFAOYSA-N 2 2 327.432 2.166 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1Cc2cccnc2C1=O ZINC000840052793 1315283972 /nfs/dbraw/zinc/28/39/72/1315283972.db2.gz DJZSZZBOKWTUSL-UHFFFAOYSA-N 2 2 327.432 2.166 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843493119 1315923225 /nfs/dbraw/zinc/92/32/25/1315923225.db2.gz QSBGZDYZFUDFBY-CXMBCZLWSA-N 2 2 339.842 2.340 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843493119 1315923227 /nfs/dbraw/zinc/92/32/27/1315923227.db2.gz QSBGZDYZFUDFBY-CXMBCZLWSA-N 2 2 339.842 2.340 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@@H]([C@H](C)[NH2+]CCCF)C3)[nH+]c12 ZINC001279029235 1319034345 /nfs/dbraw/zinc/03/43/45/1319034345.db2.gz BIJOWFCHJJJDKB-JKSUJKDBSA-N 2 2 346.450 2.371 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)Cc2[nH]cc[nH+]2)o1 ZINC001263958654 1322570318 /nfs/dbraw/zinc/57/03/18/1322570318.db2.gz OYEIVRLGXHOECQ-XJKSGUPXSA-N 2 2 345.447 2.056 10 0 EEAELP Cc1nocc1C[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265072817 1322907754 /nfs/dbraw/zinc/90/77/54/1322907754.db2.gz GTPYZAMIEZFADA-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1nocc1C[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265072817 1322907759 /nfs/dbraw/zinc/90/77/59/1322907759.db2.gz GTPYZAMIEZFADA-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP CC(C)OCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001265193919 1322978452 /nfs/dbraw/zinc/97/84/52/1322978452.db2.gz ZBEFUHPWRPYPLC-IAGOWNOFSA-N 2 2 348.491 2.251 10 0 EEAELP CC(C)OCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001265193919 1322978456 /nfs/dbraw/zinc/97/84/56/1322978456.db2.gz ZBEFUHPWRPYPLC-IAGOWNOFSA-N 2 2 348.491 2.251 10 0 EEAELP Cc1cc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)cs1 ZINC001266176377 1323745116 /nfs/dbraw/zinc/74/51/16/1323745116.db2.gz LRPHRZUKLWVYLN-UHFFFAOYSA-N 2 2 332.473 2.424 10 0 EEAELP Cc1cc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C2CC2)cs1 ZINC001266176377 1323745121 /nfs/dbraw/zinc/74/51/21/1323745121.db2.gz LRPHRZUKLWVYLN-UHFFFAOYSA-N 2 2 332.473 2.424 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001280093911 1324082355 /nfs/dbraw/zinc/08/23/55/1324082355.db2.gz FGWPTILXSGZQQE-OKEUPSHZSA-N 2 2 337.851 2.213 10 0 EEAELP COCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001280747768 1324473796 /nfs/dbraw/zinc/47/37/96/1324473796.db2.gz UYQOWWOXHPAZIV-QGZVFWFLSA-N 2 2 349.475 2.030 10 0 EEAELP COCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001280747768 1324473804 /nfs/dbraw/zinc/47/38/04/1324473804.db2.gz UYQOWWOXHPAZIV-QGZVFWFLSA-N 2 2 349.475 2.030 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1C[NH+](CCCCCF)C1 ZINC001282726462 1325773589 /nfs/dbraw/zinc/77/35/89/1325773589.db2.gz SPIMIAWXNYOWLN-LSDHHAIUSA-N 2 2 336.455 2.022 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001282740007 1325777022 /nfs/dbraw/zinc/77/70/22/1325777022.db2.gz KRRRDCWGEMKVAQ-ZDUSSCGKSA-N 2 2 337.427 2.070 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCCc2ccccc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001283908242 1326314692 /nfs/dbraw/zinc/31/46/92/1326314692.db2.gz XLBDRLVMJSFNSN-IEBWSBKVSA-N 2 2 340.471 2.485 10 0 EEAELP C[NH+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491963877 1330358525 /nfs/dbraw/zinc/35/85/25/1330358525.db2.gz RUQWFHUHQVJJIZ-CHWSQXEVSA-N 2 2 334.291 2.180 10 0 EEAELP C[N@H+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001491963877 1330358509 /nfs/dbraw/zinc/35/85/09/1330358509.db2.gz RUQWFHUHQVJJIZ-CHWSQXEVSA-N 2 2 334.291 2.180 10 0 EEAELP C[N@@H+](CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001491963877 1330358514 /nfs/dbraw/zinc/35/85/14/1330358514.db2.gz RUQWFHUHQVJJIZ-CHWSQXEVSA-N 2 2 334.291 2.180 10 0 EEAELP 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MXIUDSLJHGRRQX-IDCODDLRSA-N 2 2 342.487 2.112 10 0 EEAELP C/C(=C\c1ccccn1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485353 1338095850 /nfs/dbraw/zinc/09/58/50/1338095850.db2.gz MXIUDSLJHGRRQX-IDCODDLRSA-N 2 2 342.487 2.112 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001433420367 1341592236 /nfs/dbraw/zinc/59/22/36/1341592236.db2.gz NAGJIFFHVFMZFY-KXBFYZLASA-N 2 2 345.462 2.373 10 0 EEAELP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001670312191 1356316280 /nfs/dbraw/zinc/31/62/80/1356316280.db2.gz DJGVHFRMLGQONC-MRXNPFEDSA-N 2 2 328.460 2.470 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001500264413 1342121712 /nfs/dbraw/zinc/12/17/12/1342121712.db2.gz KGDJSZQLPSIXFO-SJLPKXTDSA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001500264413 1342121716 /nfs/dbraw/zinc/12/17/16/1342121716.db2.gz KGDJSZQLPSIXFO-SJLPKXTDSA-N 2 2 336.480 2.087 10 0 EEAELP CCN(CC[NH2+]Cc1nocc1C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568782068 1342854333 /nfs/dbraw/zinc/85/43/33/1342854333.db2.gz ZPYUYVBOENTQJD-INIZCTEOSA-N 2 2 336.480 2.186 10 0 EEAELP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001569669175 1342920322 /nfs/dbraw/zinc/92/03/22/1342920322.db2.gz ITDJSQFERBGWCJ-HXUWFJFHSA-N 2 2 344.503 2.390 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCC2CC2)C1 ZINC001569841255 1342956123 /nfs/dbraw/zinc/95/61/23/1342956123.db2.gz POOUKQCCSNZPFX-WMLDXEAASA-N 2 2 331.460 2.117 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001570676549 1343100958 /nfs/dbraw/zinc/10/09/58/1343100958.db2.gz BVKFTTFEWVIGRT-HJHHMULASA-N 2 2 338.883 2.272 10 0 EEAELP COCC[NH2+][C@H](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001571349439 1343193803 /nfs/dbraw/zinc/19/38/03/1343193803.db2.gz OCFFCEDXHWJTHI-MRXNPFEDSA-N 2 2 332.448 2.023 10 0 EEAELP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001571402330 1343205046 /nfs/dbraw/zinc/20/50/46/1343205046.db2.gz UQTXEJUKNLLBJO-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001571402330 1343205048 /nfs/dbraw/zinc/20/50/48/1343205048.db2.gz UQTXEJUKNLLBJO-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001571543922 1343233889 /nfs/dbraw/zinc/23/38/89/1343233889.db2.gz HQDAZFKYNXBARN-HOCLYGCPSA-N 2 2 344.434 2.209 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001677376481 1357324698 /nfs/dbraw/zinc/32/46/98/1357324698.db2.gz UGZMJMWWLJOQIF-UONOGXRCSA-N 2 2 344.381 2.287 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001671233686 1353204067 /nfs/dbraw/zinc/20/40/67/1353204067.db2.gz XRVZCWLMUXWQJX-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001671233686 1353204073 /nfs/dbraw/zinc/20/40/73/1353204073.db2.gz XRVZCWLMUXWQJX-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001649433332 1353501021 /nfs/dbraw/zinc/50/10/21/1353501021.db2.gz IPOZTHOGHBUJSR-FDRQBBGKSA-N 2 2 330.476 2.397 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)C[C@@H]2C1 ZINC001649433332 1353501023 /nfs/dbraw/zinc/50/10/23/1353501023.db2.gz IPOZTHOGHBUJSR-FDRQBBGKSA-N 2 2 330.476 2.397 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCCc1ccccc1 ZINC001661971914 1354730444 /nfs/dbraw/zinc/73/04/44/1354730444.db2.gz JQJFHGKJYUKPCQ-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP COCCCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001664818490 1355235455 /nfs/dbraw/zinc/23/54/55/1355235455.db2.gz UKWAMJHTULFSRH-OAHLLOKOSA-N 2 2 344.459 2.383 10 0 EEAELP COCCCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001664818490 1355235458 /nfs/dbraw/zinc/23/54/58/1355235458.db2.gz UKWAMJHTULFSRH-OAHLLOKOSA-N 2 2 344.459 2.383 10 0 EEAELP CCOCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001665933912 1355412227 /nfs/dbraw/zinc/41/22/27/1355412227.db2.gz RLXDVGKWPFVDJG-UHFFFAOYSA-N 2 2 330.432 2.003 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCOC1CCCCCC1 ZINC001666490871 1355532344 /nfs/dbraw/zinc/53/23/44/1355532344.db2.gz MRNQGFINJLFRBC-QGZVFWFLSA-N 2 2 348.491 2.203 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccns1 ZINC001667301419 1355702881 /nfs/dbraw/zinc/70/28/81/1355702881.db2.gz CDGXIIXYWIZGJG-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)on1 ZINC001668107828 1355872864 /nfs/dbraw/zinc/87/28/64/1355872864.db2.gz WWDYQWHUJFUUOI-LLVKDONJSA-N 2 2 327.388 2.158 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC001669167533 1356114640 /nfs/dbraw/zinc/11/46/40/1356114640.db2.gz OJEFRVIFYMTNQY-MOEXGYKKSA-N 2 2 326.444 2.376 10 0 EEAELP C[NH+](C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1nccs1)c1ccccc1 ZINC001669209123 1356127286 /nfs/dbraw/zinc/12/72/86/1356127286.db2.gz YKIDYQDZIFFVTC-TUYSUELWSA-N 2 2 344.484 2.208 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001671684276 1356393653 /nfs/dbraw/zinc/39/36/53/1356393653.db2.gz MPHCRTGWBUGJJY-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001671684276 1356393657 /nfs/dbraw/zinc/39/36/57/1356393657.db2.gz MPHCRTGWBUGJJY-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001671684276 1356393663 /nfs/dbraw/zinc/39/36/63/1356393663.db2.gz MPHCRTGWBUGJJY-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001671684276 1356393667 /nfs/dbraw/zinc/39/36/67/1356393667.db2.gz MPHCRTGWBUGJJY-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP C[C@@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001671790465 1356415337 /nfs/dbraw/zinc/41/53/37/1356415337.db2.gz RUGXPSOMSPDZBE-IBGZPJMESA-N 2 2 326.444 2.023 10 0 EEAELP Cc1csc(C[N@@H+](CCCNC(=O)Cc2[nH]c[nH+]c2C)C(C)C)n1 ZINC001691760319 1358369055 /nfs/dbraw/zinc/36/90/55/1358369055.db2.gz RRNMCJVBCRTEIK-UHFFFAOYSA-N 2 2 349.504 2.442 10 0 EEAELP Cc1csc(C[N@H+](CCCNC(=O)Cc2[nH]c[nH+]c2C)C(C)C)n1 ZINC001691760319 1358369056 /nfs/dbraw/zinc/36/90/56/1358369056.db2.gz RRNMCJVBCRTEIK-UHFFFAOYSA-N 2 2 349.504 2.442 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)cs1 ZINC001699827334 1405514338 /nfs/dbraw/zinc/51/43/38/1405514338.db2.gz PLDAEMFAQWAZDI-KRWDZBQOSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)cs1 ZINC001699827334 1405514339 /nfs/dbraw/zinc/51/43/39/1405514339.db2.gz PLDAEMFAQWAZDI-KRWDZBQOSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1cnccc1/C=C\C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266960 787645378 /nfs/dbraw/zinc/64/53/78/787645378.db2.gz KVBUKHYXQCUNER-PHWHVTFISA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cnccc1/C=C\C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266960 787645388 /nfs/dbraw/zinc/64/53/88/787645388.db2.gz KVBUKHYXQCUNER-PHWHVTFISA-N 2 2 342.487 2.030 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000923426397 789528827 /nfs/dbraw/zinc/52/88/27/789528827.db2.gz CTLGKLUIWUREQA-YJBOKZPZSA-N 2 2 334.460 2.089 10 0 EEAELP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000845365889 789747150 /nfs/dbraw/zinc/74/71/50/789747150.db2.gz WKZLALXANPBLLT-UHFFFAOYSA-N 2 2 340.471 2.482 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c[nH+]1 ZINC000823649040 798749455 /nfs/dbraw/zinc/74/94/55/798749455.db2.gz VUVUCUOOWGJOTP-INIZCTEOSA-N 2 2 332.423 2.485 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000788606804 807601186 /nfs/dbraw/zinc/60/11/86/807601186.db2.gz AHMNDHLPJDNOPK-INIZCTEOSA-N 2 2 342.491 2.381 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)Cc1ccsc1 ZINC001566468343 1125628306 /nfs/dbraw/zinc/62/83/06/1125628306.db2.gz XNATWGBCMJSAFS-OAHLLOKOSA-N 2 2 332.473 2.145 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)Cc1ccsc1 ZINC001566468343 1125628311 /nfs/dbraw/zinc/62/83/11/1125628311.db2.gz XNATWGBCMJSAFS-OAHLLOKOSA-N 2 2 332.473 2.145 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)CC1CCC(F)(F)CC1 ZINC001566508915 1125678909 /nfs/dbraw/zinc/67/89/09/1125678909.db2.gz VIOKKFNMTDJGBU-UHFFFAOYSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001566508915 1125678913 /nfs/dbraw/zinc/67/89/13/1125678913.db2.gz VIOKKFNMTDJGBU-UHFFFAOYSA-N 2 2 342.434 2.226 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001436403987 1087751791 /nfs/dbraw/zinc/75/17/91/1087751791.db2.gz JYZJQRUHLJWTBY-CZIWCDLHSA-N 2 2 330.407 2.015 10 0 EEAELP CCc1nc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)cs1 ZINC001436487084 1087978926 /nfs/dbraw/zinc/97/89/26/1087978926.db2.gz BEUSDHXPNRJMSL-HIFRSBDPSA-N 2 2 338.521 2.125 10 0 EEAELP CCc1nc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2C)cs1 ZINC001436487084 1087978948 /nfs/dbraw/zinc/97/89/48/1087978948.db2.gz BEUSDHXPNRJMSL-HIFRSBDPSA-N 2 2 338.521 2.125 10 0 EEAELP CCc1nc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]2C)cs1 ZINC001436487084 1087978966 /nfs/dbraw/zinc/97/89/66/1087978966.db2.gz BEUSDHXPNRJMSL-HIFRSBDPSA-N 2 2 338.521 2.125 10 0 EEAELP CCc1nc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)cs1 ZINC001436487084 1087978983 /nfs/dbraw/zinc/97/89/83/1087978983.db2.gz BEUSDHXPNRJMSL-HIFRSBDPSA-N 2 2 338.521 2.125 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001436499213 1088018931 /nfs/dbraw/zinc/01/89/31/1088018931.db2.gz MMCDCHKLAKDZKC-WMZOPIPTSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001436499213 1088018947 /nfs/dbraw/zinc/01/89/47/1088018947.db2.gz MMCDCHKLAKDZKC-WMZOPIPTSA-N 2 2 332.492 2.414 10 0 EEAELP C[C@@H]([NH2+]CCc1ccccc1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001436662424 1088089775 /nfs/dbraw/zinc/08/97/75/1088089775.db2.gz DAQRBHZVZRGOIT-IEBWSBKVSA-N 2 2 340.471 2.485 10 0 EEAELP Cc1oncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001436957262 1088645671 /nfs/dbraw/zinc/64/56/71/1088645671.db2.gz XNSQHEMHFQWDNN-BBWFWOEESA-N 2 2 345.447 2.204 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)oc1C ZINC001437045463 1088924077 /nfs/dbraw/zinc/92/40/77/1088924077.db2.gz LDQFPKHZRSWAFZ-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)oc1C ZINC001437045463 1088924088 /nfs/dbraw/zinc/92/40/88/1088924088.db2.gz LDQFPKHZRSWAFZ-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)oc1C ZINC001437045463 1088924101 /nfs/dbraw/zinc/92/41/01/1088924101.db2.gz LDQFPKHZRSWAFZ-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)oc1C ZINC001437045463 1088924108 /nfs/dbraw/zinc/92/41/08/1088924108.db2.gz LDQFPKHZRSWAFZ-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001437159968 1089165903 /nfs/dbraw/zinc/16/59/03/1089165903.db2.gz GWJVRMMWIFAPEO-NVXWUHKLSA-N 2 2 326.444 2.048 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001437172527 1089201176 /nfs/dbraw/zinc/20/11/76/1089201176.db2.gz SSBKLKVBDPTINV-NVXWUHKLSA-N 2 2 326.444 2.048 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC001437175109 1089205101 /nfs/dbraw/zinc/20/51/01/1089205101.db2.gz SHSXRZQOIBZWKY-LLVKDONJSA-N 2 2 338.814 2.279 10 0 EEAELP CC1CCC(C[N@H+](C)CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001437489923 1089859617 /nfs/dbraw/zinc/85/96/17/1089859617.db2.gz QTWOJLFEHIUNNQ-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP CC1CCC(C[N@@H+](C)CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001437489923 1089859626 /nfs/dbraw/zinc/85/96/26/1089859626.db2.gz QTWOJLFEHIUNNQ-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1cc(F)ccc1Cl ZINC001437568411 1090049910 /nfs/dbraw/zinc/04/99/10/1090049910.db2.gz ALDWVQKQLRWVTR-UHFFFAOYSA-N 2 2 329.847 2.367 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)Cc1cc(F)ccc1Cl ZINC001437568411 1090049921 /nfs/dbraw/zinc/04/99/21/1090049921.db2.gz ALDWVQKQLRWVTR-UHFFFAOYSA-N 2 2 329.847 2.367 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1Cl ZINC001437568411 1090049934 /nfs/dbraw/zinc/04/99/34/1090049934.db2.gz ALDWVQKQLRWVTR-UHFFFAOYSA-N 2 2 329.847 2.367 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC001437568411 1090049946 /nfs/dbraw/zinc/04/99/46/1090049946.db2.gz ALDWVQKQLRWVTR-UHFFFAOYSA-N 2 2 329.847 2.367 10 0 EEAELP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CCC(F)(F)F ZINC001438316592 1090793959 /nfs/dbraw/zinc/79/39/59/1090793959.db2.gz GKPKTEYPFJLKMY-GFCCVEGCSA-N 2 2 334.386 2.363 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]CC1CC2(CCC2)C1 ZINC001438504305 1090998107 /nfs/dbraw/zinc/99/81/07/1090998107.db2.gz PSXJFIULSNNTSG-WBVHZDCISA-N 2 2 344.503 2.368 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001445393286 1091137783 /nfs/dbraw/zinc/13/77/83/1091137783.db2.gz GGVZUSFJMDHECU-CYBMUJFWSA-N 2 2 331.391 2.066 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445771074 1091631356 /nfs/dbraw/zinc/63/13/56/1091631356.db2.gz QAXPCLMKFWGCPT-BBRMVZONSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001445771074 1091631364 /nfs/dbraw/zinc/63/13/64/1091631364.db2.gz QAXPCLMKFWGCPT-BBRMVZONSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H](C[NH+](C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001445771074 1091631369 /nfs/dbraw/zinc/63/13/69/1091631369.db2.gz QAXPCLMKFWGCPT-BBRMVZONSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H](C[NH+](C)Cc1cccc(F)c1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001445771074 1091631375 /nfs/dbraw/zinc/63/13/75/1091631375.db2.gz QAXPCLMKFWGCPT-BBRMVZONSA-N 2 2 339.430 2.386 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1CCc1ccccc1Cl ZINC001446056259 1092065660 /nfs/dbraw/zinc/06/56/60/1092065660.db2.gz AWJWENNNIRPVTD-INIZCTEOSA-N 2 2 346.862 2.278 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1CCc1ccccc1Cl ZINC001446056259 1092065671 /nfs/dbraw/zinc/06/56/71/1092065671.db2.gz AWJWENNNIRPVTD-INIZCTEOSA-N 2 2 346.862 2.278 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCc2ccc(F)cc21 ZINC001446060558 1092073131 /nfs/dbraw/zinc/07/31/31/1092073131.db2.gz KUBDGQBKOKQWPF-AEFFLSMTSA-N 2 2 342.418 2.209 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCc2ccc(F)cc21 ZINC001446060558 1092073136 /nfs/dbraw/zinc/07/31/36/1092073136.db2.gz KUBDGQBKOKQWPF-AEFFLSMTSA-N 2 2 342.418 2.209 10 0 EEAELP Cc1ncc(C[N@@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001439378101 1092120820 /nfs/dbraw/zinc/12/08/20/1092120820.db2.gz HUZAGDNJLQOICH-CYBMUJFWSA-N 2 2 349.504 2.408 10 0 EEAELP Cc1ncc(C[N@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001439378101 1092120830 /nfs/dbraw/zinc/12/08/30/1092120830.db2.gz HUZAGDNJLQOICH-CYBMUJFWSA-N 2 2 349.504 2.408 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001439555512 1092431508 /nfs/dbraw/zinc/43/15/08/1092431508.db2.gz DMBCFIWPTBHNMU-HOTGVXAUSA-N 2 2 348.491 2.012 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001439555512 1092431510 /nfs/dbraw/zinc/43/15/10/1092431510.db2.gz DMBCFIWPTBHNMU-HOTGVXAUSA-N 2 2 348.491 2.012 10 0 EEAELP CC[N@H+](CCOC)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001446309838 1092491886 /nfs/dbraw/zinc/49/18/86/1092491886.db2.gz WMLMTAMPHPANBM-UHFFFAOYSA-N 2 2 330.432 2.136 10 0 EEAELP CC[N@@H+](CCOC)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001446309838 1092491889 /nfs/dbraw/zinc/49/18/89/1092491889.db2.gz WMLMTAMPHPANBM-UHFFFAOYSA-N 2 2 330.432 2.136 10 0 EEAELP C[C@H](CC(=O)N[C@@]1(C)CC[N@H+](CCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001439848944 1092861820 /nfs/dbraw/zinc/86/18/20/1092861820.db2.gz JYBIXEVWXGIRLU-APWZRJJASA-N 2 2 348.491 2.232 10 0 EEAELP C[C@H](CC(=O)N[C@@]1(C)CC[N@@H+](CCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001439848944 1092861832 /nfs/dbraw/zinc/86/18/32/1092861832.db2.gz JYBIXEVWXGIRLU-APWZRJJASA-N 2 2 348.491 2.232 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001439872571 1092913376 /nfs/dbraw/zinc/91/33/76/1092913376.db2.gz MTZCNOFPMSWAPO-SFHVURJKSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001439872571 1092913382 /nfs/dbraw/zinc/91/33/82/1092913382.db2.gz MTZCNOFPMSWAPO-SFHVURJKSA-N 2 2 348.397 2.251 10 0 EEAELP CCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001440527052 1093782173 /nfs/dbraw/zinc/78/21/73/1093782173.db2.gz AZABJRWTMZDCLF-IRXDYDNUSA-N 2 2 348.491 2.202 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001448745514 1093815837 /nfs/dbraw/zinc/81/58/37/1093815837.db2.gz HAFHVZRQZRJEFK-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCC(F)(F)F)C2 ZINC001440975106 1094234185 /nfs/dbraw/zinc/23/41/85/1094234185.db2.gz UGUWTPOJJLIHMB-WCQYABFASA-N 2 2 346.397 2.143 10 0 EEAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CCC(F)(F)F)C2 ZINC001440975106 1094234192 /nfs/dbraw/zinc/23/41/92/1094234192.db2.gz UGUWTPOJJLIHMB-WCQYABFASA-N 2 2 346.397 2.143 10 0 EEAELP Cc1ncsc1C[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001449351220 1094310339 /nfs/dbraw/zinc/31/03/39/1094310339.db2.gz JHTRNMJPKIVCHG-GFCCVEGCSA-N 2 2 347.488 2.134 10 0 EEAELP Cc1ncccc1C[N@@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001441249482 1094640764 /nfs/dbraw/zinc/64/07/64/1094640764.db2.gz HUVKCRIYMRGUQV-KRWDZBQOSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1ncccc1C[N@H+]1C[C@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001441249482 1094640768 /nfs/dbraw/zinc/64/07/68/1094640768.db2.gz HUVKCRIYMRGUQV-KRWDZBQOSA-N 2 2 341.459 2.003 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)n1 ZINC001441253177 1094648874 /nfs/dbraw/zinc/64/88/74/1094648874.db2.gz KRVLEWMKUMHEMM-KRWDZBQOSA-N 2 2 349.523 2.132 10 0 EEAELP CC(C)n1ccc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)n1 ZINC001441253177 1094648880 /nfs/dbraw/zinc/64/88/80/1094648880.db2.gz KRVLEWMKUMHEMM-KRWDZBQOSA-N 2 2 349.523 2.132 10 0 EEAELP C[C@H](CC(=O)N[C@@H]1C[N@H+](Cc2ccccn2)CC1(C)C)n1cc[nH+]c1 ZINC001441269330 1094679793 /nfs/dbraw/zinc/67/97/93/1094679793.db2.gz JHNDKIQDENFDQP-NVXWUHKLSA-N 2 2 341.459 2.256 10 0 EEAELP C[C@H](CC(=O)N[C@@H]1C[N@@H+](Cc2ccccn2)CC1(C)C)n1cc[nH+]c1 ZINC001441269330 1094679796 /nfs/dbraw/zinc/67/97/96/1094679796.db2.gz JHNDKIQDENFDQP-NVXWUHKLSA-N 2 2 341.459 2.256 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]([NH2+]Cc1ccc2c(c1)CCC2)C1CC1 ZINC001441306875 1094757937 /nfs/dbraw/zinc/75/79/37/1094757937.db2.gz VMURPTQPXYAJFI-IBGZPJMESA-N 2 2 338.455 2.056 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001441393270 1094955236 /nfs/dbraw/zinc/95/52/36/1094955236.db2.gz MKMVRCPTXVFVRY-ZHCJQAHYSA-N 2 2 330.476 2.026 10 0 EEAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccncc1Cl ZINC001441646616 1095593269 /nfs/dbraw/zinc/59/32/69/1095593269.db2.gz IYNOJXBPOMCXOV-GFCCVEGCSA-N 2 2 349.866 2.372 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001441884661 1096013601 /nfs/dbraw/zinc/01/36/01/1096013601.db2.gz UCJPMFLPANBVEF-ZIFCJYIRSA-N 2 2 348.491 2.372 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001441884661 1096013610 /nfs/dbraw/zinc/01/36/10/1096013610.db2.gz UCJPMFLPANBVEF-ZIFCJYIRSA-N 2 2 348.491 2.372 10 0 EEAELP COC[C@@H](C)[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001441916908 1096096079 /nfs/dbraw/zinc/09/60/79/1096096079.db2.gz HKNGMYLJQPICTL-MLGOLLRUSA-N 2 2 330.432 2.038 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001442138275 1096383616 /nfs/dbraw/zinc/38/36/16/1096383616.db2.gz CKKPAPSZJVGIML-HOCLYGCPSA-N 2 2 344.459 2.105 10 0 EEAELP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)Cc3c[nH]c[nH+]3)CC2)sn1 ZINC001442214162 1096504576 /nfs/dbraw/zinc/50/45/76/1096504576.db2.gz DGRYBIVRXKOHHO-ZDUSSCGKSA-N 2 2 347.488 2.134 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccon1 ZINC001442954469 1097372664 /nfs/dbraw/zinc/37/26/64/1097372664.db2.gz WYZMRMMKMWJSRZ-DOTOQJQBSA-N 2 2 336.480 2.123 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccon1 ZINC001442954469 1097372669 /nfs/dbraw/zinc/37/26/69/1097372669.db2.gz WYZMRMMKMWJSRZ-DOTOQJQBSA-N 2 2 336.480 2.123 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCC[NH+](Cc1cccc(F)c1F)C1CC1 ZINC001443062927 1097472156 /nfs/dbraw/zinc/47/21/56/1097472156.db2.gz SNLWIHZQPHKAQW-UHFFFAOYSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC[NH+](Cc1cccc(F)c1F)C1CC1 ZINC001443062927 1097472160 /nfs/dbraw/zinc/47/21/60/1097472160.db2.gz SNLWIHZQPHKAQW-UHFFFAOYSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@H+](Cc1cccc(F)c1F)C1CC1 ZINC001443062927 1097472163 /nfs/dbraw/zinc/47/21/63/1097472163.db2.gz SNLWIHZQPHKAQW-UHFFFAOYSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@@H+](Cc1cccc(F)c1F)C1CC1 ZINC001443062927 1097472166 /nfs/dbraw/zinc/47/21/66/1097472166.db2.gz SNLWIHZQPHKAQW-UHFFFAOYSA-N 2 2 339.430 2.386 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443271797 1097754842 /nfs/dbraw/zinc/75/48/42/1097754842.db2.gz VGLFCZXMRPJMBS-MRXNPFEDSA-N 2 2 344.434 2.359 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001443271797 1097754847 /nfs/dbraw/zinc/75/48/47/1097754847.db2.gz VGLFCZXMRPJMBS-MRXNPFEDSA-N 2 2 344.434 2.359 10 0 EEAELP Cc1ccc(CC[N@@H+](C)C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001443328463 1097832917 /nfs/dbraw/zinc/83/29/17/1097832917.db2.gz AQABVULXKNGBPG-LJQANCHMSA-N 2 2 340.471 2.215 10 0 EEAELP Cc1ccc(CC[N@H+](C)C[C@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001443328463 1097832922 /nfs/dbraw/zinc/83/29/22/1097832922.db2.gz AQABVULXKNGBPG-LJQANCHMSA-N 2 2 340.471 2.215 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@H+](C)CC[C@H]2CCCCO2)C1 ZINC001443335733 1097847495 /nfs/dbraw/zinc/84/74/95/1097847495.db2.gz FSUFJPMDNGKXSM-IAGOWNOFSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[N@@H+](C)CC[C@H]2CCCCO2)C1 ZINC001443335733 1097847505 /nfs/dbraw/zinc/84/75/05/1097847505.db2.gz FSUFJPMDNGKXSM-IAGOWNOFSA-N 2 2 348.491 2.000 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001443877462 1098403264 /nfs/dbraw/zinc/40/32/64/1098403264.db2.gz XVUDVIVFCSVNII-OAHLLOKOSA-N 2 2 347.488 2.079 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001443877462 1098403270 /nfs/dbraw/zinc/40/32/70/1098403270.db2.gz XVUDVIVFCSVNII-OAHLLOKOSA-N 2 2 347.488 2.079 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)cs1 ZINC001479487131 1098560518 /nfs/dbraw/zinc/56/05/18/1098560518.db2.gz SFGXUZVEBHISLE-GOEBONIOSA-N 2 2 346.500 2.407 10 0 EEAELP CCc1onc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480162073 1099735410 /nfs/dbraw/zinc/73/54/10/1099735410.db2.gz JUVBEKRVZSEQHX-BPLDGKMQSA-N 2 2 345.447 2.130 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]([NH2+]CC1CC(C)C1)C(C)C ZINC001444887495 1099920040 /nfs/dbraw/zinc/92/00/40/1099920040.db2.gz JZMUURMNZXYFJO-DQPZFDDXSA-N 2 2 333.476 2.409 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](CC(C)C)NC(=O)Cn2cc[nH+]c2)c(C)s1 ZINC001496302385 1100890939 /nfs/dbraw/zinc/89/09/39/1100890939.db2.gz ZCMKGXHZAKIETR-HNNXBMFYSA-N 2 2 349.504 2.277 10 0 EEAELP C[C@@H](F)CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001496513149 1101113166 /nfs/dbraw/zinc/11/31/66/1101113166.db2.gz ZEBUNFQUFSTIMZ-OAHLLOKOSA-N 2 2 338.471 2.271 10 0 EEAELP C[C@@H](F)CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001496513149 1101113169 /nfs/dbraw/zinc/11/31/69/1101113169.db2.gz ZEBUNFQUFSTIMZ-OAHLLOKOSA-N 2 2 338.471 2.271 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]Cc2ocnc2C)C(C)C)c[nH+]1 ZINC001496572609 1101173229 /nfs/dbraw/zinc/17/32/29/1101173229.db2.gz YGOWMDPBPFDOTP-HNNXBMFYSA-N 2 2 347.463 2.154 10 0 EEAELP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1csc(C2CC2)n1 ZINC001496642594 1101246914 /nfs/dbraw/zinc/24/69/14/1101246914.db2.gz PWJIUPWJTLOZFZ-HNNXBMFYSA-N 2 2 347.488 2.148 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001446690103 1101250756 /nfs/dbraw/zinc/25/07/56/1101250756.db2.gz YJAAFIHIYWYCIM-PKOBYXMFSA-N 2 2 348.491 2.267 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001446690103 1101250762 /nfs/dbraw/zinc/25/07/62/1101250762.db2.gz YJAAFIHIYWYCIM-PKOBYXMFSA-N 2 2 348.491 2.267 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccon2)C1 ZINC001446690103 1101250767 /nfs/dbraw/zinc/25/07/67/1101250767.db2.gz YJAAFIHIYWYCIM-PKOBYXMFSA-N 2 2 348.491 2.267 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccon2)C1 ZINC001446690103 1101250773 /nfs/dbraw/zinc/25/07/73/1101250773.db2.gz YJAAFIHIYWYCIM-PKOBYXMFSA-N 2 2 348.491 2.267 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1Cl ZINC001495583482 1101289036 /nfs/dbraw/zinc/28/90/36/1101289036.db2.gz PWCUZZYXLRXWCH-OAHLLOKOSA-N 2 2 346.862 2.429 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001495747311 1101523514 /nfs/dbraw/zinc/52/35/14/1101523514.db2.gz JICRRZPTTAILRR-BDJLRTHQSA-N 2 2 348.397 2.260 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1C1CC1)NC(=O)Cn1cc[nH+]c1 ZINC001497336929 1102348368 /nfs/dbraw/zinc/34/83/68/1102348368.db2.gz LXXDETFOUNOXPY-OAHLLOKOSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001497617892 1102756528 /nfs/dbraw/zinc/75/65/28/1102756528.db2.gz KOHDYMDGLVKBAP-WRFKIARRSA-N 2 2 338.455 2.216 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001497715988 1102959108 /nfs/dbraw/zinc/95/91/08/1102959108.db2.gz XLKXPPGSZMJFPS-PLNGDYQASA-N 2 2 348.491 2.292 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001497817968 1103147014 /nfs/dbraw/zinc/14/70/14/1103147014.db2.gz OMJZZTZPQSZRIS-MRXNPFEDSA-N 2 2 340.471 2.099 10 0 EEAELP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cncs2)C1 ZINC001493942597 1103162727 /nfs/dbraw/zinc/16/27/27/1103162727.db2.gz PLJMGPCFAAOIJK-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC001493942597 1103162750 /nfs/dbraw/zinc/16/27/50/1103162750.db2.gz PLJMGPCFAAOIJK-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cncs2)C1 ZINC001493942597 1103162776 /nfs/dbraw/zinc/16/27/76/1103162776.db2.gz PLJMGPCFAAOIJK-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP CCCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2cncs2)C1 ZINC001493942597 1103162784 /nfs/dbraw/zinc/16/27/84/1103162784.db2.gz PLJMGPCFAAOIJK-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001447923658 1103608158 /nfs/dbraw/zinc/60/81/58/1103608158.db2.gz OFUMPPVGJPOGTQ-RYUDHWBXSA-N 2 2 349.504 2.109 10 0 EEAELP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001494850928 1104453481 /nfs/dbraw/zinc/45/34/81/1104453481.db2.gz NMKVZDAAKCYRSH-FUHWJXTLSA-N 2 2 341.459 2.271 10 0 EEAELP Cc1cncc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001494850928 1104453484 /nfs/dbraw/zinc/45/34/84/1104453484.db2.gz NMKVZDAAKCYRSH-FUHWJXTLSA-N 2 2 341.459 2.271 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)on2)C1)[NH+](CC)CC ZINC001494857068 1104461502 /nfs/dbraw/zinc/46/15/02/1104461502.db2.gz VEPDFRSNUGIIDB-IRXDYDNUSA-N 2 2 336.480 2.136 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1)[NH+](CC)CC ZINC001494857068 1104461504 /nfs/dbraw/zinc/46/15/04/1104461504.db2.gz VEPDFRSNUGIIDB-IRXDYDNUSA-N 2 2 336.480 2.136 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1)[NH+](CC)CC ZINC001494857070 1104462051 /nfs/dbraw/zinc/46/20/51/1104462051.db2.gz VEPDFRSNUGIIDB-SJORKVTESA-N 2 2 336.480 2.136 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1)[NH+](CC)CC ZINC001494857070 1104462054 /nfs/dbraw/zinc/46/20/54/1104462054.db2.gz VEPDFRSNUGIIDB-SJORKVTESA-N 2 2 336.480 2.136 10 0 EEAELP Cc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001494875088 1104485485 /nfs/dbraw/zinc/48/54/85/1104485485.db2.gz GWSQKQDNZCUARI-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1cnc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001494875088 1104485488 /nfs/dbraw/zinc/48/54/88/1104485488.db2.gz GWSQKQDNZCUARI-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001480655123 1106826774 /nfs/dbraw/zinc/82/67/74/1106826774.db2.gz YEJVMJXBWNQGJK-IRXDYDNUSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1nocc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480711215 1106933494 /nfs/dbraw/zinc/93/34/94/1106933494.db2.gz VRODSHIIRQWLBH-DLBZAZTESA-N 2 2 345.447 2.177 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCc1ccccc1 ZINC001480774984 1107092903 /nfs/dbraw/zinc/09/29/03/1107092903.db2.gz WPBAUJHDSNFTIK-FUHWJXTLSA-N 2 2 340.471 2.173 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001480824032 1107195875 /nfs/dbraw/zinc/19/58/75/1107195875.db2.gz NSVISXJNVJQNAR-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP COCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001480824032 1107195880 /nfs/dbraw/zinc/19/58/80/1107195880.db2.gz NSVISXJNVJQNAR-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP C[C@@H](C[N@H+](C)C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336917 1107323320 /nfs/dbraw/zinc/32/33/20/1107323320.db2.gz FFIWUMBCPXMZJR-GJZGRUSLSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@@H](C[N@@H+](C)C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336917 1107323336 /nfs/dbraw/zinc/32/33/36/1107323336.db2.gz FFIWUMBCPXMZJR-GJZGRUSLSA-N 2 2 344.459 2.200 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)cc1 ZINC001454885705 1107860296 /nfs/dbraw/zinc/86/02/96/1107860296.db2.gz APYXXOVSXZRNKO-RTBURBONSA-N 2 2 345.487 2.068 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@@H]2C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)cc1 ZINC001454885705 1107860311 /nfs/dbraw/zinc/86/03/11/1107860311.db2.gz APYXXOVSXZRNKO-RTBURBONSA-N 2 2 345.487 2.068 10 0 EEAELP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1 ZINC001454885705 1107860322 /nfs/dbraw/zinc/86/03/22/1107860322.db2.gz APYXXOVSXZRNKO-RTBURBONSA-N 2 2 345.487 2.068 10 0 EEAELP COc1ccc(C[NH+]2CC[C@@H]2C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1 ZINC001454885705 1107860337 /nfs/dbraw/zinc/86/03/37/1107860337.db2.gz APYXXOVSXZRNKO-RTBURBONSA-N 2 2 345.487 2.068 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001498782225 1108093112 /nfs/dbraw/zinc/09/31/12/1108093112.db2.gz SGWZDOMSKASEEU-NVXWUHKLSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001493602050 1108386687 /nfs/dbraw/zinc/38/66/87/1108386687.db2.gz COICYPIIZOJRLU-OAHLLOKOSA-N 2 2 344.434 2.141 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001493605266 1108391563 /nfs/dbraw/zinc/39/15/63/1108391563.db2.gz WXVAOHGBWBELBC-OAHLLOKOSA-N 2 2 344.434 2.141 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001499109286 1108603625 /nfs/dbraw/zinc/60/36/25/1108603625.db2.gz YUCGMPGLASWBLZ-INIZCTEOSA-N 2 2 330.476 2.422 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1 ZINC001499109286 1108603628 /nfs/dbraw/zinc/60/36/28/1108603628.db2.gz YUCGMPGLASWBLZ-INIZCTEOSA-N 2 2 330.476 2.422 10 0 EEAELP CCC[N@H+](CCOC)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001499539031 1112353695 /nfs/dbraw/zinc/35/36/95/1112353695.db2.gz XNKTVDJSLKXLID-MRXNPFEDSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[N@@H+](CCOC)C1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001499539031 1112353699 /nfs/dbraw/zinc/35/36/99/1112353699.db2.gz XNKTVDJSLKXLID-MRXNPFEDSA-N 2 2 336.480 2.184 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)C1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001499713583 1112454784 /nfs/dbraw/zinc/45/47/84/1112454784.db2.gz BTDOTFZXZDJYPI-AWEZNQCLSA-N 2 2 340.418 2.241 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001501008787 1113164978 /nfs/dbraw/zinc/16/49/78/1113164978.db2.gz ZOUYUNQFQACSRE-ULQDDVLXSA-N 2 2 330.476 2.122 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCC1)C2 ZINC001501008787 1113164980 /nfs/dbraw/zinc/16/49/80/1113164980.db2.gz ZOUYUNQFQACSRE-ULQDDVLXSA-N 2 2 330.476 2.122 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001501143032 1113213353 /nfs/dbraw/zinc/21/33/53/1113213353.db2.gz HWAMYOHGBUKZFV-STQMWFEESA-N 2 2 346.397 2.369 10 0 EEAELP COCCCC[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501581528 1113389766 /nfs/dbraw/zinc/38/97/66/1113389766.db2.gz FRIBRGFBDGBSDU-HNNXBMFYSA-N 2 2 344.459 2.431 10 0 EEAELP CC[C@H](F)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001501582507 1113390699 /nfs/dbraw/zinc/39/06/99/1113390699.db2.gz VPSKTQYFFWRGJZ-HOCLYGCPSA-N 2 2 337.439 2.209 10 0 EEAELP CCc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cs1 ZINC001505444839 1113978885 /nfs/dbraw/zinc/97/88/85/1113978885.db2.gz JGXLWHCPGHXEJJ-HNNXBMFYSA-N 2 2 338.521 2.080 10 0 EEAELP CCc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cs1 ZINC001505444839 1113978888 /nfs/dbraw/zinc/97/88/88/1113978888.db2.gz JGXLWHCPGHXEJJ-HNNXBMFYSA-N 2 2 338.521 2.080 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC2CC(NC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001505499965 1114025461 /nfs/dbraw/zinc/02/54/61/1114025461.db2.gz IWTAQDNLASNJRQ-UHFFFAOYSA-N 2 2 344.434 2.474 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC2CC(NC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001505499965 1114025464 /nfs/dbraw/zinc/02/54/64/1114025464.db2.gz IWTAQDNLASNJRQ-UHFFFAOYSA-N 2 2 344.434 2.474 10 0 EEAELP Cc1nc(C[NH2+]CC2CC(NC(=O)CCCn3cc[nH+]c3)C2)cs1 ZINC001505539799 1114039862 /nfs/dbraw/zinc/03/98/62/1114039862.db2.gz WOOBHBDGUFPBGK-UHFFFAOYSA-N 2 2 347.488 2.113 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC001505720607 1114150533 /nfs/dbraw/zinc/15/05/33/1114150533.db2.gz PJTRULUMVCJVSY-GHMZBOCLSA-N 2 2 338.814 2.428 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001505743464 1114164342 /nfs/dbraw/zinc/16/43/42/1114164342.db2.gz XWFQFTDWGQRKAU-LSDHHAIUSA-N 2 2 332.492 2.416 10 0 EEAELP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)C1CCC([NH2+]CCCF)CC1 ZINC001505782844 1114189339 /nfs/dbraw/zinc/18/93/39/1114189339.db2.gz NWQTYKUVZRUXJY-FHERZECASA-N 2 2 336.455 2.164 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001506500623 1114653156 /nfs/dbraw/zinc/65/31/56/1114653156.db2.gz QGPJBSNYJFNXBQ-GOSISDBHSA-N 2 2 349.519 2.226 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CC3=CCCCC3)CCCCC2)C1 ZINC001506500623 1114653157 /nfs/dbraw/zinc/65/31/57/1114653157.db2.gz QGPJBSNYJFNXBQ-GOSISDBHSA-N 2 2 349.519 2.226 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@@H]2CC[C@H](C)O2)CCCCC1 ZINC001506521110 1114670390 /nfs/dbraw/zinc/67/03/90/1114670390.db2.gz BGSMVJDEUJEOOP-HOCLYGCPSA-N 2 2 348.491 2.237 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ncc(C)o1)C1CC1 ZINC001507037142 1115073618 /nfs/dbraw/zinc/07/36/18/1115073618.db2.gz QZZAINKWURFNDG-SJORKVTESA-N 2 2 348.491 2.184 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]Cc1ncc(C)o1)C1CC1 ZINC001507037142 1115073621 /nfs/dbraw/zinc/07/36/21/1115073621.db2.gz QZZAINKWURFNDG-SJORKVTESA-N 2 2 348.491 2.184 10 0 EEAELP CC(C)[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001507459042 1115281577 /nfs/dbraw/zinc/28/15/77/1115281577.db2.gz WCZXCYMMXXNISG-ZIAGYGMSSA-N 2 2 346.397 2.298 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001567899411 1124163726 /nfs/dbraw/zinc/16/37/26/1124163726.db2.gz PUZVXDUHXIVMRR-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001567899411 1124163729 /nfs/dbraw/zinc/16/37/29/1124163729.db2.gz PUZVXDUHXIVMRR-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001567899411 1124163731 /nfs/dbraw/zinc/16/37/31/1124163731.db2.gz PUZVXDUHXIVMRR-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001567899411 1124163733 /nfs/dbraw/zinc/16/37/33/1124163733.db2.gz PUZVXDUHXIVMRR-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001568105965 1124306012 /nfs/dbraw/zinc/30/60/12/1124306012.db2.gz FSGYRIBOEKOHMF-QBPKDAKJSA-N 2 2 348.491 2.203 10 0 EEAELP CC(C)COCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001568105965 1124306017 /nfs/dbraw/zinc/30/60/17/1124306017.db2.gz FSGYRIBOEKOHMF-QBPKDAKJSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CCc1ccccc1 ZINC001568178814 1124341527 /nfs/dbraw/zinc/34/15/27/1124341527.db2.gz IPFUNOTWRZYARA-FUHWJXTLSA-N 2 2 340.471 2.030 10 0 EEAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001568372166 1124443536 /nfs/dbraw/zinc/44/35/36/1124443536.db2.gz RYMMWMZXKDEIQV-KGLIPLIRSA-N 2 2 346.397 2.442 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568531157 1124592693 /nfs/dbraw/zinc/59/26/93/1124592693.db2.gz NKFAIIRVFNKHFC-GOEBONIOSA-N 2 2 344.459 2.476 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CCc2[nH+]ccn2C)s1 ZINC001568659746 1124674513 /nfs/dbraw/zinc/67/45/13/1124674513.db2.gz KWWQFJSZAODCCF-LBPRGKRZSA-N 2 2 349.504 2.111 10 0 EEAELP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568754057 1124768961 /nfs/dbraw/zinc/76/89/61/1124768961.db2.gz MVKOGKAUKCVKBE-UHFFFAOYSA-N 2 2 341.415 2.420 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001568799320 1124813948 /nfs/dbraw/zinc/81/39/48/1124813948.db2.gz BJLIEZCGQMMKIP-OKILXGFUSA-N 2 2 336.480 2.102 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001568799320 1124813955 /nfs/dbraw/zinc/81/39/55/1124813955.db2.gz BJLIEZCGQMMKIP-OKILXGFUSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1 ZINC001568953545 1124988783 /nfs/dbraw/zinc/98/87/83/1124988783.db2.gz FFBNKHNDWQMQKF-IHWYPQMZSA-N 2 2 340.418 2.348 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1cc(C)ccc1C ZINC001568954529 1124990068 /nfs/dbraw/zinc/99/00/68/1124990068.db2.gz QBFMRYMSWFBHEG-SNAWJCMRSA-N 2 2 326.444 2.340 10 0 EEAELP CCCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001569117859 1125109084 /nfs/dbraw/zinc/10/90/84/1125109084.db2.gz JUCQKDJTTFVGBH-YOEHRIQHSA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001569117859 1125109088 /nfs/dbraw/zinc/10/90/88/1125109088.db2.gz JUCQKDJTTFVGBH-YOEHRIQHSA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001569117859 1125109093 /nfs/dbraw/zinc/10/90/93/1125109093.db2.gz JUCQKDJTTFVGBH-YOEHRIQHSA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001569117859 1125109096 /nfs/dbraw/zinc/10/90/96/1125109096.db2.gz JUCQKDJTTFVGBH-YOEHRIQHSA-N 2 2 335.496 2.417 10 0 EEAELP CN(CCC[NH2+]Cc1ccns1)C(=O)c1cccc2[nH+]ccn21 ZINC001569222903 1125176593 /nfs/dbraw/zinc/17/65/93/1125176593.db2.gz SLXLJAALIPVOQO-UHFFFAOYSA-N 2 2 329.429 2.043 10 0 EEAELP [NH3+]C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000050247765 214051726 /nfs/dbraw/zinc/05/17/26/214051726.db2.gz SPWOODNWUKETLS-MRVPVSSYSA-N 2 2 343.250 2.341 10 0 EEAELP [NH3+]C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)s3)o2)C1 ZINC000050247765 214051729 /nfs/dbraw/zinc/05/17/29/214051729.db2.gz SPWOODNWUKETLS-MRVPVSSYSA-N 2 2 343.250 2.341 10 0 EEAELP CCC(CC)[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000359063180 282222980 /nfs/dbraw/zinc/22/29/80/282222980.db2.gz DTJODWJNRNTYCP-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP CCC(CC)[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000359063180 282222983 /nfs/dbraw/zinc/22/29/83/282222983.db2.gz DTJODWJNRNTYCP-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP CCc1nn(C)cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190475554 539634095 /nfs/dbraw/zinc/63/40/95/539634095.db2.gz AOZMKQNRAAONCS-KRWDZBQOSA-N 2 2 327.476 2.331 10 0 EEAELP CCc1nn(C)cc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190475554 539634099 /nfs/dbraw/zinc/63/40/99/539634099.db2.gz AOZMKQNRAAONCS-KRWDZBQOSA-N 2 2 327.476 2.331 10 0 EEAELP CCc1nn(C)cc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190475554 539634103 /nfs/dbraw/zinc/63/41/03/539634103.db2.gz AOZMKQNRAAONCS-KRWDZBQOSA-N 2 2 327.476 2.331 10 0 EEAELP CCc1nn(C)cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190475554 539634106 /nfs/dbraw/zinc/63/41/06/539634106.db2.gz AOZMKQNRAAONCS-KRWDZBQOSA-N 2 2 327.476 2.331 10 0 EEAELP COc1cccc(-c2[nH+]c3ccc(N)cn3c2C[N@H+](C)CCO)c1 ZINC000036273230 213080123 /nfs/dbraw/zinc/08/01/23/213080123.db2.gz PYKNHGWFSNANJH-UHFFFAOYSA-N 2 2 326.400 2.016 10 0 EEAELP COc1cccc(-c2[nH+]c3ccc(N)cn3c2C[N@@H+](C)CCO)c1 ZINC000036273230 213080124 /nfs/dbraw/zinc/08/01/24/213080124.db2.gz PYKNHGWFSNANJH-UHFFFAOYSA-N 2 2 326.400 2.016 10 0 EEAELP CC(C)c1[nH+]ccn1CCC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000072871059 216322396 /nfs/dbraw/zinc/32/23/96/216322396.db2.gz QKYQINYCJWGEEL-UHFFFAOYSA-N 2 2 338.415 2.294 10 0 EEAELP FC(F)(F)COc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422726980 240196895 /nfs/dbraw/zinc/19/68/95/240196895.db2.gz BBHSRALZKXUPBQ-JKSUJKDBSA-N 2 2 344.377 2.484 10 0 EEAELP Brc1ccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422766599 240214690 /nfs/dbraw/zinc/21/46/90/240214690.db2.gz RZFFJNNSDGBYIM-HZPDHXFCSA-N 2 2 339.277 2.348 10 0 EEAELP c1ccc(CC[NH+]2CCC([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422840271 240254856 /nfs/dbraw/zinc/25/48/56/240254856.db2.gz BFTIFLBPTJWXNX-SFTDATJTSA-N 3 2 343.515 2.050 10 0 EEAELP c1coc([C@H](CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)[NH+]2CCCCC2)c1 ZINC000422966704 240310753 /nfs/dbraw/zinc/31/07/53/240310753.db2.gz RVWIRHVSORKAPB-WDSOQIARSA-N 2 2 333.476 2.163 10 0 EEAELP c1coc([C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)N2CCCCC2)c1 ZINC000422966704 240310758 /nfs/dbraw/zinc/31/07/58/240310758.db2.gz RVWIRHVSORKAPB-WDSOQIARSA-N 2 2 333.476 2.163 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@@H](O)COCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422971705 240314784 /nfs/dbraw/zinc/31/47/84/240314784.db2.gz JPCQFLUZWWGEGY-NEWSRXKRSA-N 2 2 336.476 2.111 10 0 EEAELP CCCOc1cccc2c(NC[C@H](O)C[NH+]3CCOCC3)cc[nH+]c12 ZINC000194697786 240681177 /nfs/dbraw/zinc/68/11/77/240681177.db2.gz MRCOTINOHSXLHG-HNNXBMFYSA-N 2 2 345.443 2.129 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459396071 245103130 /nfs/dbraw/zinc/10/31/30/245103130.db2.gz BPXXVPWGFSSTSR-PKOBYXMFSA-N 2 2 347.503 2.112 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459396071 245103136 /nfs/dbraw/zinc/10/31/36/245103136.db2.gz BPXXVPWGFSSTSR-PKOBYXMFSA-N 2 2 347.503 2.112 10 0 EEAELP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000111212872 220110638 /nfs/dbraw/zinc/11/06/38/220110638.db2.gz PFJHZLUYTDGYNF-SFHVURJKSA-N 2 2 338.455 2.440 10 0 EEAELP Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000111212872 220110641 /nfs/dbraw/zinc/11/06/41/220110641.db2.gz PFJHZLUYTDGYNF-SFHVURJKSA-N 2 2 338.455 2.440 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000081095365 217361708 /nfs/dbraw/zinc/36/17/08/217361708.db2.gz GKESAKGPSMOWEI-RHSMWYFYSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000081095365 217361711 /nfs/dbraw/zinc/36/17/11/217361711.db2.gz GKESAKGPSMOWEI-RHSMWYFYSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000081095365 217361714 /nfs/dbraw/zinc/36/17/14/217361714.db2.gz GKESAKGPSMOWEI-RHSMWYFYSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000081095365 217361717 /nfs/dbraw/zinc/36/17/17/217361717.db2.gz GKESAKGPSMOWEI-RHSMWYFYSA-N 2 2 347.459 2.074 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3cnc(C4CC4)s3)CC2)cc[nH+]1 ZINC000093562876 218233487 /nfs/dbraw/zinc/23/34/87/218233487.db2.gz ZZFHXFWOPHIBGQ-UHFFFAOYSA-N 2 2 344.488 2.199 10 0 EEAELP CCn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000328634090 258026336 /nfs/dbraw/zinc/02/63/36/258026336.db2.gz MMQVXKYBHOZLDK-FUHWJXTLSA-N 2 2 330.480 2.151 10 0 EEAELP CCn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000328634090 258026338 /nfs/dbraw/zinc/02/63/38/258026338.db2.gz MMQVXKYBHOZLDK-FUHWJXTLSA-N 2 2 330.480 2.151 10 0 EEAELP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000328634090 258026340 /nfs/dbraw/zinc/02/63/40/258026340.db2.gz MMQVXKYBHOZLDK-FUHWJXTLSA-N 2 2 330.480 2.151 10 0 EEAELP CCn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cn1 ZINC000328634090 258026342 /nfs/dbraw/zinc/02/63/42/258026342.db2.gz MMQVXKYBHOZLDK-FUHWJXTLSA-N 2 2 330.480 2.151 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@H+](C)Cc3ccc(CO)o3)CCC[NH+]2C)cn1 ZINC000328630741 258028518 /nfs/dbraw/zinc/02/85/18/258028518.db2.gz JRARNWZANVQLMU-KBXCAEBGSA-N 2 2 332.448 2.020 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)Cc3ccc(CO)o3)CCC[NH+]2C)cn1 ZINC000328630741 258028520 /nfs/dbraw/zinc/02/85/20/258028520.db2.gz JRARNWZANVQLMU-KBXCAEBGSA-N 2 2 332.448 2.020 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(CO)o3)CCC[N@@H+]2C)cn1 ZINC000328630741 258028521 /nfs/dbraw/zinc/02/85/21/258028521.db2.gz JRARNWZANVQLMU-KBXCAEBGSA-N 2 2 332.448 2.020 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)Cc3ccc(CO)o3)CCC[N@H+]2C)cn1 ZINC000328630741 258028523 /nfs/dbraw/zinc/02/85/23/258028523.db2.gz JRARNWZANVQLMU-KBXCAEBGSA-N 2 2 332.448 2.020 10 0 EEAELP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000056946964 292144793 /nfs/dbraw/zinc/14/47/93/292144793.db2.gz QXNNEJKBXCLTMQ-BZUAXINKSA-N 2 2 347.507 2.313 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCCSCC2)CC1 ZINC000089984240 292215555 /nfs/dbraw/zinc/21/55/55/292215555.db2.gz NYQFBCCGQDXDIX-UHFFFAOYSA-N 2 2 347.528 2.078 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCCSCC2)CC1 ZINC000089984240 292215557 /nfs/dbraw/zinc/21/55/57/292215557.db2.gz NYQFBCCGQDXDIX-UHFFFAOYSA-N 2 2 347.528 2.078 10 0 EEAELP CCCCO[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172753856 152115962 /nfs/dbraw/zinc/11/59/62/152115962.db2.gz HVGQOMXTGLNHHA-KRWDZBQOSA-N 2 2 339.524 2.258 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191097083 152237899 /nfs/dbraw/zinc/23/78/99/152237899.db2.gz RSFHHFYFVIDXSR-YJBOKZPZSA-N 2 2 342.491 2.428 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191097083 152237902 /nfs/dbraw/zinc/23/79/02/152237902.db2.gz RSFHHFYFVIDXSR-YJBOKZPZSA-N 2 2 342.491 2.428 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+](CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000191238483 152245120 /nfs/dbraw/zinc/24/51/20/152245120.db2.gz HPBIJUHIPNXGRN-UHFFFAOYSA-N 2 2 343.393 2.215 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+](CCC(F)(F)F)Cc2ccccc2)CC1 ZINC000191238483 152245122 /nfs/dbraw/zinc/24/51/22/152245122.db2.gz HPBIJUHIPNXGRN-UHFFFAOYSA-N 2 2 343.393 2.215 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357726582 153307443 /nfs/dbraw/zinc/30/74/43/153307443.db2.gz GVMJCWJCUUPOAO-JENIJYKNSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000357726582 153307446 /nfs/dbraw/zinc/30/74/46/153307446.db2.gz GVMJCWJCUUPOAO-JENIJYKNSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357726582 153307452 /nfs/dbraw/zinc/30/74/52/153307452.db2.gz GVMJCWJCUUPOAO-JENIJYKNSA-N 2 2 331.504 2.457 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000357726582 153307457 /nfs/dbraw/zinc/30/74/57/153307457.db2.gz GVMJCWJCUUPOAO-JENIJYKNSA-N 2 2 331.504 2.457 10 0 EEAELP COc1ccc([C@H]([NH2+][C@H](C)CN2CCCC2=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422758045 286376515 /nfs/dbraw/zinc/37/65/15/286376515.db2.gz JZIPWNPAYPKNED-LJHODMEESA-N 2 2 331.460 2.089 10 0 EEAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000248717452 160358632 /nfs/dbraw/zinc/35/86/32/160358632.db2.gz GOUIGHISGXJLIF-DLBZAZTESA-N 2 2 345.491 2.032 10 0 EEAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000248717452 160358633 /nfs/dbraw/zinc/35/86/33/160358633.db2.gz GOUIGHISGXJLIF-DLBZAZTESA-N 2 2 345.491 2.032 10 0 EEAELP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261536598 160399334 /nfs/dbraw/zinc/39/93/34/160399334.db2.gz RRXBRAYDTIKNAS-OTWHNJEPSA-N 2 2 327.472 2.252 10 0 EEAELP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000085391683 159169586 /nfs/dbraw/zinc/16/95/86/159169586.db2.gz NHUYAZFQIOCQTE-WBVHZDCISA-N 2 2 345.491 2.032 10 0 EEAELP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000085391683 159169589 /nfs/dbraw/zinc/16/95/89/159169589.db2.gz NHUYAZFQIOCQTE-WBVHZDCISA-N 2 2 345.491 2.032 10 0 EEAELP COc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1OC ZINC000092079408 159213893 /nfs/dbraw/zinc/21/38/93/159213893.db2.gz GCANSPNSAJISCX-HNNXBMFYSA-N 2 2 334.460 2.389 10 0 EEAELP COc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1OC ZINC000092079408 159213895 /nfs/dbraw/zinc/21/38/95/159213895.db2.gz GCANSPNSAJISCX-HNNXBMFYSA-N 2 2 334.460 2.389 10 0 EEAELP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)nc4sc(C)cn34)C2)CC1 ZINC000093133246 159230748 /nfs/dbraw/zinc/23/07/48/159230748.db2.gz DPKUERMEVYVEBV-MRXNPFEDSA-N 2 2 347.532 2.224 10 0 EEAELP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)nc4sc(C)cn34)C2)CC1 ZINC000093133246 159230751 /nfs/dbraw/zinc/23/07/51/159230751.db2.gz DPKUERMEVYVEBV-MRXNPFEDSA-N 2 2 347.532 2.224 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000192761233 160173405 /nfs/dbraw/zinc/17/34/05/160173405.db2.gz BBTIGLLDZGVYIY-FQEVSTJZSA-N 2 2 347.503 2.182 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](c3cccc(O)c3)C2)CC1 ZINC000192761233 160173408 /nfs/dbraw/zinc/17/34/08/160173408.db2.gz BBTIGLLDZGVYIY-FQEVSTJZSA-N 2 2 347.503 2.182 10 0 EEAELP CC(C)[NH2+]CC[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000193413963 160181043 /nfs/dbraw/zinc/18/10/43/160181043.db2.gz SWRFRNYYTJNFAO-UHFFFAOYSA-N 2 2 333.432 2.064 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCO[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000248390790 160343249 /nfs/dbraw/zinc/34/32/49/160343249.db2.gz CIXUAZATOLZDKX-QRVBRYPASA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCO[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000248390790 160343251 /nfs/dbraw/zinc/34/32/51/160343251.db2.gz CIXUAZATOLZDKX-QRVBRYPASA-N 2 2 345.487 2.049 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ZINC000422759168 294740793 /nfs/dbraw/zinc/74/07/93/294740793.db2.gz KJBGAASHTQQRLW-RBUKOAKNSA-N 2 2 348.462 2.231 10 0 EEAELP C[C@@H]1CCC[C@@](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)([NH+](C)C)C1 ZINC000301238403 294836847 /nfs/dbraw/zinc/83/68/47/294836847.db2.gz LENWTYUMUTXTNL-JTDSTZFVSA-N 2 2 347.507 2.360 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227734 312270573 /nfs/dbraw/zinc/27/05/73/312270573.db2.gz GTYSTMLIKDRLNZ-PXNSSMCTSA-N 3 2 331.504 2.339 10 0 EEAELP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227734 312270576 /nfs/dbraw/zinc/27/05/76/312270576.db2.gz GTYSTMLIKDRLNZ-PXNSSMCTSA-N 3 2 331.504 2.339 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416860715 313339525 /nfs/dbraw/zinc/33/95/25/313339525.db2.gz WACMYMYSQQZOIO-MRXNPFEDSA-N 2 2 341.459 2.271 10 0 EEAELP C[C@@H]([NH3+])C1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000416933093 313365194 /nfs/dbraw/zinc/36/51/94/313365194.db2.gz 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318193224 /nfs/dbraw/zinc/19/32/24/318193224.db2.gz RXGDOKNOHMHUMU-FXAWDEMLSA-N 2 2 338.455 2.324 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1c1ccccc1 ZINC000544622127 318193227 /nfs/dbraw/zinc/19/32/27/318193227.db2.gz RXGDOKNOHMHUMU-FXAWDEMLSA-N 2 2 338.455 2.324 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000547761964 318320334 /nfs/dbraw/zinc/32/03/34/318320334.db2.gz NDCXRDAESTYPKS-ZBFHGGJFSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000547761964 318320335 /nfs/dbraw/zinc/32/03/35/318320335.db2.gz NDCXRDAESTYPKS-ZBFHGGJFSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000547761964 318320337 /nfs/dbraw/zinc/32/03/37/318320337.db2.gz NDCXRDAESTYPKS-ZBFHGGJFSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000547761964 318320339 /nfs/dbraw/zinc/32/03/39/318320339.db2.gz 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C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000358311337 465051157 /nfs/dbraw/zinc/05/11/57/465051157.db2.gz YXOWUHODXNNXNI-DVOMOZLQSA-N 2 2 330.394 2.396 10 0 EEAELP C[C@@H]1CN(c2ccc(CNc3[nH+]cnc4[nH]ccc43)c[nH+]2)C[C@H](C)O1 ZINC000339131090 465101272 /nfs/dbraw/zinc/10/12/72/465101272.db2.gz CAADKZQZZYRIMM-BETUJISGSA-N 2 2 338.415 2.579 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000341373550 465136104 /nfs/dbraw/zinc/13/61/04/465136104.db2.gz BQUNMUTWIWBEKZ-GJZGRUSLSA-N 2 2 329.448 2.396 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000127391516 462548012 /nfs/dbraw/zinc/54/80/12/462548012.db2.gz ZTSNUNZFPLIMNI-GDBMZVCRSA-N 2 2 327.432 2.070 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000127391516 462548015 /nfs/dbraw/zinc/54/80/15/462548015.db2.gz ZTSNUNZFPLIMNI-GDBMZVCRSA-N 2 2 327.432 2.070 10 0 EEAELP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000155242473 462864814 /nfs/dbraw/zinc/86/48/14/462864814.db2.gz NKZMHZCWUKZHKG-ZPQVWODMSA-N 2 2 344.503 2.329 10 0 EEAELP CC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000155242473 462864818 /nfs/dbraw/zinc/86/48/18/462864818.db2.gz NKZMHZCWUKZHKG-ZPQVWODMSA-N 2 2 344.503 2.329 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC000120594814 463015971 /nfs/dbraw/zinc/01/59/71/463015971.db2.gz ADCLAFQXOCGLKE-OAGGEKHMSA-N 2 2 345.491 2.009 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC000120594814 463015977 /nfs/dbraw/zinc/01/59/77/463015977.db2.gz ADCLAFQXOCGLKE-OAGGEKHMSA-N 2 2 345.491 2.009 10 0 EEAELP CC[C@@H](CO)[NH+]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000093740061 463046152 /nfs/dbraw/zinc/04/61/52/463046152.db2.gz YFDNBEWPCSTCNQ-KRWDZBQOSA-N 2 2 328.460 2.069 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000069452890 463249024 /nfs/dbraw/zinc/24/90/24/463249024.db2.gz TYKQFCFHUHLXCR-ROUUACIJSA-N 2 2 326.444 2.430 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000069452890 463249030 /nfs/dbraw/zinc/24/90/30/463249030.db2.gz TYKQFCFHUHLXCR-ROUUACIJSA-N 2 2 326.444 2.430 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCc2c(F)cccc2F)CC[N@@H+]1C ZINC000123646457 463358187 /nfs/dbraw/zinc/35/81/87/463358187.db2.gz GYHIEWUOMUUBEF-KBPBESRZSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCc2c(F)cccc2F)CC[N@H+]1C ZINC000123646457 463358194 /nfs/dbraw/zinc/35/81/94/463358194.db2.gz GYHIEWUOMUUBEF-KBPBESRZSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCCc2c(F)cccc2F)CC[NH+]1C ZINC000123646457 463358200 /nfs/dbraw/zinc/35/82/00/463358200.db2.gz GYHIEWUOMUUBEF-KBPBESRZSA-N 2 2 339.430 2.038 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCCc2c(F)cccc2F)CC[NH+]1C ZINC000123646457 463358209 /nfs/dbraw/zinc/35/82/09/463358209.db2.gz GYHIEWUOMUUBEF-KBPBESRZSA-N 2 2 339.430 2.038 10 0 EEAELP Cc1cnn(C[C@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000069979295 463363410 /nfs/dbraw/zinc/36/34/10/463363410.db2.gz AZCXBFWISDFPAM-WOJBJXKFSA-N 2 2 342.487 2.149 10 0 EEAELP Cc1cnn(C[C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000069979295 463363412 /nfs/dbraw/zinc/36/34/12/463363412.db2.gz AZCXBFWISDFPAM-WOJBJXKFSA-N 2 2 342.487 2.149 10 0 EEAELP Cc1cnn(C[C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000069979295 463363417 /nfs/dbraw/zinc/36/34/17/463363417.db2.gz AZCXBFWISDFPAM-WOJBJXKFSA-N 2 2 342.487 2.149 10 0 EEAELP Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000069979295 463363418 /nfs/dbraw/zinc/36/34/18/463363418.db2.gz AZCXBFWISDFPAM-WOJBJXKFSA-N 2 2 342.487 2.149 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000151329700 463513732 /nfs/dbraw/zinc/51/37/32/463513732.db2.gz QKAJEHOUTHCQCJ-LPHOPBHVSA-N 2 2 345.487 2.311 10 0 EEAELP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000058370161 463587470 /nfs/dbraw/zinc/58/74/70/463587470.db2.gz YVJFQYFFNYIPFC-IAGOWNOFSA-N 2 2 330.476 2.146 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000058370161 463587475 /nfs/dbraw/zinc/58/74/75/463587475.db2.gz YVJFQYFFNYIPFC-IAGOWNOFSA-N 2 2 330.476 2.146 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000152376575 463681815 /nfs/dbraw/zinc/68/18/15/463681815.db2.gz KKIRYRFBAXIONO-IAGOWNOFSA-N 2 2 333.480 2.178 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000152376575 463681819 /nfs/dbraw/zinc/68/18/19/463681819.db2.gz KKIRYRFBAXIONO-IAGOWNOFSA-N 2 2 333.480 2.178 10 0 EEAELP Cc1cc(NC[C@H](O)C[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000112074303 463689946 /nfs/dbraw/zinc/68/99/46/463689946.db2.gz ARTSNRRYGYYNQV-INIZCTEOSA-N 2 2 327.432 2.106 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498314 463721055 /nfs/dbraw/zinc/72/10/55/463721055.db2.gz KRHBQZWZWHEHJZ-DLBZAZTESA-N 2 2 333.480 2.178 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177498314 463721062 /nfs/dbraw/zinc/72/10/62/463721062.db2.gz KRHBQZWZWHEHJZ-DLBZAZTESA-N 2 2 333.480 2.178 10 0 EEAELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1cccnc1Cl ZINC000171388574 463854918 /nfs/dbraw/zinc/85/49/18/463854918.db2.gz SCJIMIICJKDODU-UHFFFAOYSA-N 2 2 336.867 2.481 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)N(C)C)cc1 ZINC000261865560 463881849 /nfs/dbraw/zinc/88/18/49/463881849.db2.gz COKMBMFFRFUKPV-WTGUMLROSA-N 2 2 331.504 2.344 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)c2C)cc1 ZINC000261935246 463903834 /nfs/dbraw/zinc/90/38/34/463903834.db2.gz DDFLTFCCXOFDOH-DJJJIMSYSA-N 2 2 328.460 2.336 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)c2C)cc1 ZINC000261935246 463903840 /nfs/dbraw/zinc/90/38/40/463903840.db2.gz DDFLTFCCXOFDOH-DJJJIMSYSA-N 2 2 328.460 2.336 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC000269503368 464003296 /nfs/dbraw/zinc/00/32/96/464003296.db2.gz FNHHTPRSNDPUAE-ZBFHGGJFSA-N 2 2 333.480 2.019 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@H](C)C1 ZINC000269503368 464003299 /nfs/dbraw/zinc/00/32/99/464003299.db2.gz FNHHTPRSNDPUAE-ZBFHGGJFSA-N 2 2 333.480 2.019 10 0 EEAELP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263287011 464077034 /nfs/dbraw/zinc/07/70/34/464077034.db2.gz VEOZKKLPMULAOH-HMQMGEFJSA-N 2 2 349.425 2.295 10 0 EEAELP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263287011 464077041 /nfs/dbraw/zinc/07/70/41/464077041.db2.gz VEOZKKLPMULAOH-HMQMGEFJSA-N 2 2 349.425 2.295 10 0 EEAELP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229336738 464196408 /nfs/dbraw/zinc/19/64/08/464196408.db2.gz FRIHYRDDBKBJAX-WMLDXEAASA-N 2 2 337.427 2.202 10 0 EEAELP C[C@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229336738 464196412 /nfs/dbraw/zinc/19/64/12/464196412.db2.gz FRIHYRDDBKBJAX-WMLDXEAASA-N 2 2 337.427 2.202 10 0 EEAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272190751 464512277 /nfs/dbraw/zinc/51/22/77/464512277.db2.gz MGYOURLITNFQLS-KRWDZBQOSA-N 2 2 349.438 2.170 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265764890 464678350 /nfs/dbraw/zinc/67/83/50/464678350.db2.gz CRBIFEXIMRBDBD-KRWDZBQOSA-N 2 2 345.487 2.123 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000275475119 464776363 /nfs/dbraw/zinc/77/63/63/464776363.db2.gz HYHSJUWIHKKVNT-AEFFLSMTSA-N 2 2 341.459 2.425 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000266732014 464801805 /nfs/dbraw/zinc/80/18/05/464801805.db2.gz JSPBJEMLGBKFKW-UHFFFAOYSA-N 2 2 344.415 2.245 10 0 EEAELP C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H](C)[NH3+] ZINC000249075430 464837805 /nfs/dbraw/zinc/83/78/05/464837805.db2.gz QYTKOTFYVOQRRA-AGIUHOORSA-N 2 2 325.403 2.029 10 0 EEAELP C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H](C)[NH3+] ZINC000249075430 464837808 /nfs/dbraw/zinc/83/78/08/464837808.db2.gz QYTKOTFYVOQRRA-AGIUHOORSA-N 2 2 325.403 2.029 10 0 EEAELP CN1C(=O)C[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1c1ccc(Cl)cc1 ZINC000192157232 464877082 /nfs/dbraw/zinc/87/70/82/464877082.db2.gz HNZFEECSDNZEHB-NVXWUHKLSA-N 2 2 332.835 2.488 10 0 EEAELP CCC(CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000177004375 464904081 /nfs/dbraw/zinc/90/40/81/464904081.db2.gz JKMVDYVWVBZZPT-MSOLQXFVSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000177004375 464904084 /nfs/dbraw/zinc/90/40/84/464904084.db2.gz JKMVDYVWVBZZPT-MSOLQXFVSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000252463494 464957726 /nfs/dbraw/zinc/95/77/26/464957726.db2.gz YVJFQYFFNYIPFC-IRXDYDNUSA-N 2 2 330.476 2.146 10 0 EEAELP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)C1 ZINC000252463494 464957731 /nfs/dbraw/zinc/95/77/31/464957731.db2.gz YVJFQYFFNYIPFC-IRXDYDNUSA-N 2 2 330.476 2.146 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569246121 468464119 /nfs/dbraw/zinc/46/41/19/468464119.db2.gz WDDQUGHWNVNURZ-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569246121 468464126 /nfs/dbraw/zinc/46/41/26/468464126.db2.gz WDDQUGHWNVNURZ-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000358198760 466533179 /nfs/dbraw/zinc/53/31/79/466533179.db2.gz YYFRYYGPVFSZNV-BVBHFADKSA-N 2 2 327.472 2.250 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000358198760 466533185 /nfs/dbraw/zinc/53/31/85/466533185.db2.gz YYFRYYGPVFSZNV-BVBHFADKSA-N 2 2 327.472 2.250 10 0 EEAELP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000320466051 466610283 /nfs/dbraw/zinc/61/02/83/466610283.db2.gz LAFCCENSJHCPEN-IKGGRYGDSA-N 2 2 333.501 2.313 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCC(C)(CO)CC1 ZINC000408516403 466672795 /nfs/dbraw/zinc/67/27/95/466672795.db2.gz YXBKUDJPEGFNDD-AWEZNQCLSA-N 2 2 342.443 2.498 10 0 EEAELP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000657480226 471149488 /nfs/dbraw/zinc/14/94/88/471149488.db2.gz KZFHUGRSKVBSTN-AEFFLSMTSA-N 2 2 336.476 2.037 10 0 EEAELP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000657480226 471149494 /nfs/dbraw/zinc/14/94/94/471149494.db2.gz KZFHUGRSKVBSTN-AEFFLSMTSA-N 2 2 336.476 2.037 10 0 EEAELP CC1CC[NH+](C2CCC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000422971030 466689084 /nfs/dbraw/zinc/68/90/84/466689084.db2.gz XTVNYHLINOKJAL-NTFDOXNWSA-N 3 2 335.536 2.386 10 0 EEAELP Cc1c([C@@H](C)[NH2+]CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423177220 466693911 /nfs/dbraw/zinc/69/39/11/466693911.db2.gz ILUDOBZPBYDFNC-SNVBAGLBSA-N 2 2 338.253 2.338 10 0 EEAELP O=C(CC[N@@H+]1CCCC12CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000373106799 466695332 /nfs/dbraw/zinc/69/53/32/466695332.db2.gz MUFOHTNEZAYLRL-UHFFFAOYSA-N 2 2 328.460 2.139 10 0 EEAELP O=C(CC[N@H+]1CCCC12CCC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000373106799 466695338 /nfs/dbraw/zinc/69/53/38/466695338.db2.gz MUFOHTNEZAYLRL-UHFFFAOYSA-N 2 2 328.460 2.139 10 0 EEAELP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423455129 466751391 /nfs/dbraw/zinc/75/13/91/466751391.db2.gz BWUNYGXBQNWXFO-NRUUGDAUSA-N 2 2 333.885 2.025 10 0 EEAELP Cc1ccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000370843727 467024586 /nfs/dbraw/zinc/02/45/86/467024586.db2.gz SEONKHNTMMKACX-MRXNPFEDSA-N 2 2 335.517 2.226 10 0 EEAELP Cc1ccc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000370843727 467024593 /nfs/dbraw/zinc/02/45/93/467024593.db2.gz SEONKHNTMMKACX-MRXNPFEDSA-N 2 2 335.517 2.226 10 0 EEAELP C[C@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1c[nH+]ccc1N ZINC000424377243 467035848 /nfs/dbraw/zinc/03/58/48/467035848.db2.gz MJPBGYAKGGLJAU-HNNXBMFYSA-N 2 2 326.444 2.284 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418618636 467136802 /nfs/dbraw/zinc/13/68/02/467136802.db2.gz NMLYJDRQGHGXBW-CMODXEBXSA-N 2 2 342.487 2.025 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CC[C@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000413113302 467172703 /nfs/dbraw/zinc/17/27/03/467172703.db2.gz YDKKYXZLFFRCLB-RDJZCZTQSA-N 2 2 347.507 2.218 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CC[C@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000413113302 467172706 /nfs/dbraw/zinc/17/27/06/467172706.db2.gz YDKKYXZLFFRCLB-RDJZCZTQSA-N 2 2 347.507 2.218 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429020722 467293348 /nfs/dbraw/zinc/29/33/48/467293348.db2.gz NVSSZBYJNFUYME-JXFKEZNVSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429020722 467293352 /nfs/dbraw/zinc/29/33/52/467293352.db2.gz NVSSZBYJNFUYME-JXFKEZNVSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429020722 467293355 /nfs/dbraw/zinc/29/33/55/467293355.db2.gz NVSSZBYJNFUYME-JXFKEZNVSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429020722 467293360 /nfs/dbraw/zinc/29/33/60/467293360.db2.gz NVSSZBYJNFUYME-JXFKEZNVSA-N 2 2 345.487 2.242 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000381691923 467374540 /nfs/dbraw/zinc/37/45/40/467374540.db2.gz SJYGLXUMXIKRJQ-RBUKOAKNSA-N 2 2 329.488 2.499 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000381691923 467374545 /nfs/dbraw/zinc/37/45/45/467374545.db2.gz SJYGLXUMXIKRJQ-RBUKOAKNSA-N 2 2 329.488 2.499 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449119313 467619163 /nfs/dbraw/zinc/61/91/63/467619163.db2.gz YBUPDVOWGSBNOU-SFHVURJKSA-N 2 2 346.450 2.427 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449119313 467619164 /nfs/dbraw/zinc/61/91/64/467619164.db2.gz YBUPDVOWGSBNOU-SFHVURJKSA-N 2 2 346.450 2.427 10 0 EEAELP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000449744739 467705050 /nfs/dbraw/zinc/70/50/50/467705050.db2.gz JMOUQWAFWNGKTG-UHFFFAOYSA-N 3 2 347.532 2.440 10 0 EEAELP CC[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457008402 467730006 /nfs/dbraw/zinc/73/00/06/467730006.db2.gz CKFGTNFEGWSPLW-QRVBRYPASA-N 2 2 345.487 2.049 10 0 EEAELP CC[C@@H](C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000457008402 467730008 /nfs/dbraw/zinc/73/00/08/467730008.db2.gz CKFGTNFEGWSPLW-QRVBRYPASA-N 2 2 345.487 2.049 10 0 EEAELP Cc1nn(C)cc1C[N@H+](C)[C@@H]1CCC[NH+](Cc2cn(C)nc2C)CC1 ZINC000450612963 467880032 /nfs/dbraw/zinc/88/00/32/467880032.db2.gz LOOMKYZBHQIJHO-LJQANCHMSA-N 2 2 344.507 2.257 10 0 EEAELP Cc1nn(C)cc1C[N@@H+](C)[C@@H]1CCC[NH+](Cc2cn(C)nc2C)CC1 ZINC000450612963 467880034 /nfs/dbraw/zinc/88/00/34/467880034.db2.gz LOOMKYZBHQIJHO-LJQANCHMSA-N 2 2 344.507 2.257 10 0 EEAELP Cc1nn(C)cc1C[NH+](C)[C@@H]1CCC[N@H+](Cc2cn(C)nc2C)CC1 ZINC000450612963 467880037 /nfs/dbraw/zinc/88/00/37/467880037.db2.gz LOOMKYZBHQIJHO-LJQANCHMSA-N 2 2 344.507 2.257 10 0 EEAELP Cc1nn(C)cc1C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C)CC1 ZINC000450612963 467880039 /nfs/dbraw/zinc/88/00/39/467880039.db2.gz LOOMKYZBHQIJHO-LJQANCHMSA-N 2 2 344.507 2.257 10 0 EEAELP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CS1 ZINC000515272423 467982938 /nfs/dbraw/zinc/98/29/38/467982938.db2.gz ZHEUFDHLOQNXCM-ILXRZTDVSA-N 2 2 336.505 2.031 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000519399458 468159326 /nfs/dbraw/zinc/15/93/26/468159326.db2.gz QBEWBXLWZCCSJD-UXHICEINSA-N 3 2 343.515 2.230 10 0 EEAELP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000519699791 468196055 /nfs/dbraw/zinc/19/60/55/468196055.db2.gz MXLAIDMDLPQFNW-CHWSQXEVSA-N 2 2 335.835 2.258 10 0 EEAELP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000519699791 468196061 /nfs/dbraw/zinc/19/60/61/468196061.db2.gz MXLAIDMDLPQFNW-CHWSQXEVSA-N 2 2 335.835 2.258 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C ZINC000533448337 468201014 /nfs/dbraw/zinc/20/10/14/468201014.db2.gz CIDJUDVTZKOUDO-HYLHYLHVSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@H+]1C ZINC000533448337 468201018 /nfs/dbraw/zinc/20/10/18/468201018.db2.gz CIDJUDVTZKOUDO-HYLHYLHVSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH+]1C ZINC000533448337 468201023 /nfs/dbraw/zinc/20/10/23/468201023.db2.gz CIDJUDVTZKOUDO-HYLHYLHVSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH+]1C ZINC000533448337 468201027 /nfs/dbraw/zinc/20/10/27/468201027.db2.gz CIDJUDVTZKOUDO-HYLHYLHVSA-N 2 2 333.520 2.486 10 0 EEAELP CC(C)(C)OC(=O)C1CCC(O)(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000600734997 468642356 /nfs/dbraw/zinc/64/23/56/468642356.db2.gz LKEIUPLTEUONGS-XAUUPUKJSA-N 2 2 349.475 2.051 10 0 EEAELP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000570797573 468693081 /nfs/dbraw/zinc/69/30/81/468693081.db2.gz AMZRBRGZFYMKEO-KGLIPLIRSA-N 2 2 339.430 2.434 10 0 EEAELP CCC[NH2+][C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000570797573 468693088 /nfs/dbraw/zinc/69/30/88/468693088.db2.gz AMZRBRGZFYMKEO-KGLIPLIRSA-N 2 2 339.430 2.434 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000594931050 468724830 /nfs/dbraw/zinc/72/48/30/468724830.db2.gz KTGGFSWKDWMZAP-IAOVAPTHSA-N 2 2 346.475 2.222 10 0 EEAELP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCCCCn1c(C)[nH+]c2ccccc21 ZINC000595659169 468942625 /nfs/dbraw/zinc/94/26/25/468942625.db2.gz JBZGJUCHRRNNQS-FUHWJXTLSA-N 2 2 345.443 2.435 10 0 EEAELP O=C(CC[N@@H+]1CCc2ccccc2C1)NCCCCn1cc[nH+]c1 ZINC000572616697 468961111 /nfs/dbraw/zinc/96/11/11/468961111.db2.gz ZIICSDBCIJYMDM-UHFFFAOYSA-N 2 2 326.444 2.228 10 0 EEAELP O=C(CC[N@H+]1CCc2ccccc2C1)NCCCCn1cc[nH+]c1 ZINC000572616697 468961117 /nfs/dbraw/zinc/96/11/17/468961117.db2.gz ZIICSDBCIJYMDM-UHFFFAOYSA-N 2 2 326.444 2.228 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000572644155 468963804 /nfs/dbraw/zinc/96/38/04/468963804.db2.gz URGFTPXZJQYKMA-FQEVSTJZSA-N 2 2 345.487 2.166 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000572644155 468963806 /nfs/dbraw/zinc/96/38/06/468963806.db2.gz URGFTPXZJQYKMA-FQEVSTJZSA-N 2 2 345.487 2.166 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000572759566 468988338 /nfs/dbraw/zinc/98/83/38/468988338.db2.gz JQBPAAUQBHYTDP-WMLDXEAASA-N 2 2 343.393 2.484 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000572759566 468988346 /nfs/dbraw/zinc/98/83/46/468988346.db2.gz JQBPAAUQBHYTDP-WMLDXEAASA-N 2 2 343.393 2.484 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000610511360 468989501 /nfs/dbraw/zinc/98/95/01/468989501.db2.gz GLANXSYVVKZTRP-ZDUSSCGKSA-N 2 2 332.400 2.412 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000610511360 468989505 /nfs/dbraw/zinc/98/95/05/468989505.db2.gz GLANXSYVVKZTRP-ZDUSSCGKSA-N 2 2 332.400 2.412 10 0 EEAELP O=C(CC[NH2+]C1CC1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000573338751 469111844 /nfs/dbraw/zinc/11/18/44/469111844.db2.gz XFWXAMLTHOAJOB-CQSZACIVSA-N 2 2 337.414 2.188 10 0 EEAELP O=C(CC[NH2+]C1CC1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000573338751 469111849 /nfs/dbraw/zinc/11/18/49/469111849.db2.gz XFWXAMLTHOAJOB-CQSZACIVSA-N 2 2 337.414 2.188 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](c2ccncn2)C1 ZINC000588691527 469157902 /nfs/dbraw/zinc/15/79/02/469157902.db2.gz OTDKCXIADKGXAJ-MOPGFXCFSA-N 2 2 340.471 2.149 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](c2ccncn2)C1 ZINC000588691527 469157904 /nfs/dbraw/zinc/15/79/04/469157904.db2.gz OTDKCXIADKGXAJ-MOPGFXCFSA-N 2 2 340.471 2.149 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000588691527 469157909 /nfs/dbraw/zinc/15/79/09/469157909.db2.gz OTDKCXIADKGXAJ-MOPGFXCFSA-N 2 2 340.471 2.149 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000588691527 469157912 /nfs/dbraw/zinc/15/79/12/469157912.db2.gz OTDKCXIADKGXAJ-MOPGFXCFSA-N 2 2 340.471 2.149 10 0 EEAELP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000612083999 469388052 /nfs/dbraw/zinc/38/80/52/469388052.db2.gz CPKCEIHWLNMZIB-ZDUSSCGKSA-N 2 2 332.473 2.167 10 0 EEAELP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000612083999 469388057 /nfs/dbraw/zinc/38/80/57/469388057.db2.gz CPKCEIHWLNMZIB-ZDUSSCGKSA-N 2 2 332.473 2.167 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616873366 469532398 /nfs/dbraw/zinc/53/23/98/469532398.db2.gz NXAZPKIWWZQDIX-BBRMVZONSA-N 2 2 347.463 2.006 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(NS(=O)(=O)CC)cc1 ZINC000629526522 469573109 /nfs/dbraw/zinc/57/31/09/469573109.db2.gz XLMDVPSULCJFKF-VBNZEHGJSA-N 2 2 325.478 2.239 10 0 EEAELP COc1ccc(COC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629600711 469589523 /nfs/dbraw/zinc/58/95/23/469589523.db2.gz BPSHGCUUNKAUCA-RBUKOAKNSA-N 2 2 348.487 2.179 10 0 EEAELP COc1ccc(COC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629600711 469589529 /nfs/dbraw/zinc/58/95/29/469589529.db2.gz BPSHGCUUNKAUCA-RBUKOAKNSA-N 2 2 348.487 2.179 10 0 EEAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000623264871 469601810 /nfs/dbraw/zinc/60/18/10/469601810.db2.gz WACUMELDIMXPKS-SJLPKXTDSA-N 2 2 342.418 2.118 10 0 EEAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000623264871 469601814 /nfs/dbraw/zinc/60/18/14/469601814.db2.gz WACUMELDIMXPKS-SJLPKXTDSA-N 2 2 342.418 2.118 10 0 EEAELP CCCc1nc(C)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000617767151 469797713 /nfs/dbraw/zinc/79/77/13/469797713.db2.gz IPWRLTMELUGWCG-UHFFFAOYSA-N 2 2 326.510 2.017 10 0 EEAELP CCCc1nc(C)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617767151 469797714 /nfs/dbraw/zinc/79/77/14/469797714.db2.gz IPWRLTMELUGWCG-UHFFFAOYSA-N 2 2 326.510 2.017 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2cccs2)on1 ZINC000617768115 469798842 /nfs/dbraw/zinc/79/88/42/469798842.db2.gz PNXZXTVNEVOXDN-UHFFFAOYSA-N 2 2 336.461 2.016 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2cccs2)on1 ZINC000617768115 469798849 /nfs/dbraw/zinc/79/88/49/469798849.db2.gz PNXZXTVNEVOXDN-UHFFFAOYSA-N 2 2 336.461 2.016 10 0 EEAELP CC(C)[N@H+](C)CCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608425614 469815978 /nfs/dbraw/zinc/81/59/78/469815978.db2.gz ARCHHHHGCFOHFD-QGZVFWFLSA-N 2 2 343.475 2.343 10 0 EEAELP CC(C)[N@@H+](C)CCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608425614 469815981 /nfs/dbraw/zinc/81/59/81/469815981.db2.gz ARCHHHHGCFOHFD-QGZVFWFLSA-N 2 2 343.475 2.343 10 0 EEAELP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000617926067 469841598 /nfs/dbraw/zinc/84/15/98/469841598.db2.gz YJGSCASOAHYOGO-GOSISDBHSA-N 2 2 326.444 2.488 10 0 EEAELP CCN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617926067 469841604 /nfs/dbraw/zinc/84/16/04/469841604.db2.gz YJGSCASOAHYOGO-GOSISDBHSA-N 2 2 326.444 2.488 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCn1cc(-c2ccc3ccccc3n2)nn1 ZINC000630609589 469919162 /nfs/dbraw/zinc/91/91/62/469919162.db2.gz DETBULNXFJJXOX-UHFFFAOYSA-N 2 2 338.459 2.377 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCn1cc(-c2ccc3ccccc3n2)nn1 ZINC000630609589 469919165 /nfs/dbraw/zinc/91/91/65/469919165.db2.gz DETBULNXFJJXOX-UHFFFAOYSA-N 2 2 338.459 2.377 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000630864138 470015963 /nfs/dbraw/zinc/01/59/63/470015963.db2.gz FEQAPRKBFFJBMD-UHFFFAOYSA-N 2 2 335.411 2.475 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(C(F)(F)F)c1 ZINC000628061829 470049849 /nfs/dbraw/zinc/04/98/49/470049849.db2.gz QEYZQBKHIPLAGV-UHFFFAOYSA-N 2 2 337.411 2.380 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(C(F)(F)F)c1 ZINC000628061829 470049850 /nfs/dbraw/zinc/04/98/50/470049850.db2.gz QEYZQBKHIPLAGV-UHFFFAOYSA-N 2 2 337.411 2.380 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621751333 470103565 /nfs/dbraw/zinc/10/35/65/470103565.db2.gz DMKRRMGHBIBPSK-FUHWJXTLSA-N 2 2 331.460 2.185 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621751333 470103568 /nfs/dbraw/zinc/10/35/68/470103568.db2.gz DMKRRMGHBIBPSK-FUHWJXTLSA-N 2 2 331.460 2.185 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC[N@@H+]1C ZINC000631314412 470117908 /nfs/dbraw/zinc/11/79/08/470117908.db2.gz KNTOGFJSZRWWPH-MAZHCROVSA-N 2 2 339.430 2.414 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)CC[N@H+]1C ZINC000631314412 470117913 /nfs/dbraw/zinc/11/79/13/470117913.db2.gz KNTOGFJSZRWWPH-MAZHCROVSA-N 2 2 339.430 2.414 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000621911065 470127556 /nfs/dbraw/zinc/12/75/56/470127556.db2.gz ROHVMGKKNNQMAP-ZBFHGGJFSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000621911065 470127557 /nfs/dbraw/zinc/12/75/57/470127557.db2.gz ROHVMGKKNNQMAP-ZBFHGGJFSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000621911065 470127559 /nfs/dbraw/zinc/12/75/59/470127559.db2.gz ROHVMGKKNNQMAP-ZBFHGGJFSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C[N@H+]1Cc1ccccc1 ZINC000621911065 470127561 /nfs/dbraw/zinc/12/75/61/470127561.db2.gz ROHVMGKKNNQMAP-ZBFHGGJFSA-N 2 2 326.444 2.467 10 0 EEAELP [NH3+][C@H]1CCCCC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000631832840 470186278 /nfs/dbraw/zinc/18/62/78/470186278.db2.gz OHIKMIQVZQZWDK-HNNXBMFYSA-N 2 2 340.471 2.256 10 0 EEAELP [NH3+][C@H]1CCCCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000631832840 470186279 /nfs/dbraw/zinc/18/62/79/470186279.db2.gz OHIKMIQVZQZWDK-HNNXBMFYSA-N 2 2 340.471 2.256 10 0 EEAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844559 470187450 /nfs/dbraw/zinc/18/74/50/470187450.db2.gz YATBIEWMLOFART-VXGBXAGGSA-N 2 2 340.265 2.223 10 0 EEAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631844559 470187451 /nfs/dbraw/zinc/18/74/51/470187451.db2.gz YATBIEWMLOFART-VXGBXAGGSA-N 2 2 340.265 2.223 10 0 EEAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000631882140 470189029 /nfs/dbraw/zinc/18/90/29/470189029.db2.gz RPYIGHYQRQYYET-MJGOQNOKSA-N 2 2 338.455 2.358 10 0 EEAELP C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000631882140 470189030 /nfs/dbraw/zinc/18/90/30/470189030.db2.gz RPYIGHYQRQYYET-MJGOQNOKSA-N 2 2 338.455 2.358 10 0 EEAELP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCn2cc(C)[nH+]c2C1 ZINC000633379908 470446331 /nfs/dbraw/zinc/44/63/31/470446331.db2.gz NZZNAYSNTUIWII-OAHLLOKOSA-N 2 2 342.443 2.463 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649294211 470533004 /nfs/dbraw/zinc/53/30/04/470533004.db2.gz DPJSKXUYGKFXGE-IXKJSCDLSA-N 2 2 333.863 2.296 10 0 EEAELP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000649591601 470636198 /nfs/dbraw/zinc/63/61/98/470636198.db2.gz BWUINGHNKFIPBT-BEFAXECRSA-N 2 2 325.460 2.223 10 0 EEAELP Cc1cncc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000649591601 470636199 /nfs/dbraw/zinc/63/61/99/470636199.db2.gz BWUINGHNKFIPBT-BEFAXECRSA-N 2 2 325.460 2.223 10 0 EEAELP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000643250110 470640838 /nfs/dbraw/zinc/64/08/38/470640838.db2.gz NZXJWZCQNOCKFL-HNNXBMFYSA-N 2 2 333.480 2.030 10 0 EEAELP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000643250110 470640843 /nfs/dbraw/zinc/64/08/43/470640843.db2.gz NZXJWZCQNOCKFL-HNNXBMFYSA-N 2 2 333.480 2.030 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647178878 470849536 /nfs/dbraw/zinc/84/95/36/470849536.db2.gz PEJJNWMSFJNNCQ-GOSISDBHSA-N 2 2 328.460 2.381 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647178878 470849540 /nfs/dbraw/zinc/84/95/40/470849540.db2.gz PEJJNWMSFJNNCQ-GOSISDBHSA-N 2 2 328.460 2.381 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccsc1 ZINC000651080549 471044674 /nfs/dbraw/zinc/04/46/74/471044674.db2.gz GGDBNPUDAGDNSB-OAHLLOKOSA-N 2 2 332.473 2.243 10 0 EEAELP CSc1cccnc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315618 471124907 /nfs/dbraw/zinc/12/49/07/471124907.db2.gz ZYEOJSTYNYFKGT-OAHLLOKOSA-N 2 2 348.516 2.044 10 0 EEAELP CSc1cccnc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315618 471124912 /nfs/dbraw/zinc/12/49/12/471124912.db2.gz ZYEOJSTYNYFKGT-OAHLLOKOSA-N 2 2 348.516 2.044 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648211452 471125636 /nfs/dbraw/zinc/12/56/36/471125636.db2.gz RNHIVNXZAXVREN-INIZCTEOSA-N 2 2 326.444 2.390 10 0 EEAELP COC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCOCC1 ZINC000657565899 471171057 /nfs/dbraw/zinc/17/10/57/471171057.db2.gz WDNNUJWFPUCYIG-OAHLLOKOSA-N 2 2 338.414 2.434 10 0 EEAELP Cc1cc(N2CCOC3(CC[NH+](C)CC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000645384689 471231405 /nfs/dbraw/zinc/23/14/05/471231405.db2.gz KBHRTFLLZWZVHB-UHFFFAOYSA-N 2 2 339.443 2.148 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000655160829 471275020 /nfs/dbraw/zinc/27/50/20/471275020.db2.gz SSUSGDXLRKEISE-LESCRADOSA-N 2 2 326.444 2.050 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000655160829 471275023 /nfs/dbraw/zinc/27/50/23/471275023.db2.gz SSUSGDXLRKEISE-LESCRADOSA-N 2 2 326.444 2.050 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000655160829 471275026 /nfs/dbraw/zinc/27/50/26/471275026.db2.gz SSUSGDXLRKEISE-LESCRADOSA-N 2 2 326.444 2.050 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000655160829 471275029 /nfs/dbraw/zinc/27/50/29/471275029.db2.gz SSUSGDXLRKEISE-LESCRADOSA-N 2 2 326.444 2.050 10 0 EEAELP CCn1cc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)nn1 ZINC000658178424 471275119 /nfs/dbraw/zinc/27/51/19/471275119.db2.gz YXPGRCLQKUNVSP-MRXNPFEDSA-N 2 2 327.476 2.483 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)C1 ZINC000655165976 471276086 /nfs/dbraw/zinc/27/60/86/471276086.db2.gz ZCNKOVCBZPRRMO-RDJZCZTQSA-N 2 2 326.444 2.162 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2[nH+]ccn2C)C1 ZINC000655165976 471276088 /nfs/dbraw/zinc/27/60/88/471276088.db2.gz ZCNKOVCBZPRRMO-RDJZCZTQSA-N 2 2 326.444 2.162 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C[C@H]1C[NH3+] ZINC000652357247 471278279 /nfs/dbraw/zinc/27/82/79/471278279.db2.gz FIMPNIDAGYRUEG-WOSRLPQWSA-N 2 2 337.489 2.031 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2cccc(SC)c2)C[C@H]1C[NH3+] ZINC000652357247 471278280 /nfs/dbraw/zinc/27/82/80/471278280.db2.gz FIMPNIDAGYRUEG-WOSRLPQWSA-N 2 2 337.489 2.031 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-n2cc[nH+]c2)ccn1 ZINC000655349844 471306249 /nfs/dbraw/zinc/30/62/49/471306249.db2.gz HGXWMMVJRUNYQC-WBVHZDCISA-N 2 2 325.416 2.014 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(-n2cc[nH+]c2)ccn1 ZINC000655349844 471306250 /nfs/dbraw/zinc/30/62/50/471306250.db2.gz HGXWMMVJRUNYQC-WBVHZDCISA-N 2 2 325.416 2.014 10 0 EEAELP C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000655710809 471451495 /nfs/dbraw/zinc/45/14/95/471451495.db2.gz CRVZHOVPMHATDG-IRXDYDNUSA-N 3 2 334.533 2.467 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655724511 471457860 /nfs/dbraw/zinc/45/78/60/471457860.db2.gz ZBLDJKWJJDGGMY-ROUUACIJSA-N 2 2 345.487 2.117 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000663677960 471471090 /nfs/dbraw/zinc/47/10/90/471471090.db2.gz FHBHFGLAJKNLRL-SFHVURJKSA-N 2 2 346.519 2.289 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCCc2ccccc21 ZINC000663677960 471471095 /nfs/dbraw/zinc/47/10/95/471471095.db2.gz FHBHFGLAJKNLRL-SFHVURJKSA-N 2 2 346.519 2.289 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000653072458 471473587 /nfs/dbraw/zinc/47/35/87/471473587.db2.gz SDTQMXYMXYFFAS-LRDDRELGSA-N 2 2 341.858 2.292 10 0 EEAELP C[C@H](NC(=O)[C@@H]([NH3+])CC[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000653123180 471500269 /nfs/dbraw/zinc/50/02/69/471500269.db2.gz QOPBDDLYYFRQGN-KSSFIOAISA-N 2 2 326.444 2.205 10 0 EEAELP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](CC)C1 ZINC000663799077 471524539 /nfs/dbraw/zinc/52/45/39/471524539.db2.gz XHUBKTNUPYSNKH-QGZVFWFLSA-N 2 2 341.459 2.498 10 0 EEAELP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663799077 471524541 /nfs/dbraw/zinc/52/45/41/471524541.db2.gz XHUBKTNUPYSNKH-QGZVFWFLSA-N 2 2 341.459 2.498 10 0 EEAELP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000663814848 471530912 /nfs/dbraw/zinc/53/09/12/471530912.db2.gz SEHSWPNEDMICEQ-OAHLLOKOSA-N 2 2 345.422 2.247 10 0 EEAELP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000663814848 471530918 /nfs/dbraw/zinc/53/09/18/471530918.db2.gz SEHSWPNEDMICEQ-OAHLLOKOSA-N 2 2 345.422 2.247 10 0 EEAELP Cc1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c(N2CCCC2)[nH+]1 ZINC000669555883 471550921 /nfs/dbraw/zinc/55/09/21/471550921.db2.gz NCLKPKGROBPPFN-CALCHBBNSA-N 2 2 343.475 2.026 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000664143500 471653081 /nfs/dbraw/zinc/65/30/81/471653081.db2.gz YWMZJHYGZIZHEH-CABCVRRESA-N 2 2 333.480 2.113 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000664143500 471653088 /nfs/dbraw/zinc/65/30/88/471653088.db2.gz YWMZJHYGZIZHEH-CABCVRRESA-N 2 2 333.480 2.113 10 0 EEAELP CC(C)CC[NH+]1CCC(CNC(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000670082283 471674061 /nfs/dbraw/zinc/67/40/61/471674061.db2.gz GGUNVZHDEPSBHP-UHFFFAOYSA-N 2 2 347.507 2.449 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1[nH+]ccn1C ZINC000659589550 471689662 /nfs/dbraw/zinc/68/96/62/471689662.db2.gz SRGWEYXDEZVDHF-APHBMKBZSA-N 2 2 345.422 2.065 10 0 EEAELP CN(CC1C[NH+](C)C1)C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000664363927 471732283 /nfs/dbraw/zinc/73/22/83/471732283.db2.gz VEUWKXJCVPIVTK-UHFFFAOYSA-N 2 2 337.493 2.154 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000661509476 471784390 /nfs/dbraw/zinc/78/43/90/471784390.db2.gz DOCYMAVONROTTF-GOSISDBHSA-N 2 2 331.435 2.316 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000661509476 471784391 /nfs/dbraw/zinc/78/43/91/471784391.db2.gz DOCYMAVONROTTF-GOSISDBHSA-N 2 2 331.435 2.316 10 0 EEAELP C[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[C@H]1O ZINC000661621762 471829034 /nfs/dbraw/zinc/82/90/34/471829034.db2.gz OSVHYXXNZLHSKF-RUYXUALKSA-N 2 2 331.504 2.147 10 0 EEAELP C[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[C@H]1O ZINC000661621762 471829036 /nfs/dbraw/zinc/82/90/36/471829036.db2.gz OSVHYXXNZLHSKF-RUYXUALKSA-N 2 2 331.504 2.147 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCCc2sccc21 ZINC000664691386 471836098 /nfs/dbraw/zinc/83/60/98/471836098.db2.gz ZHAPYBBKCNHYTE-HNNXBMFYSA-N 2 2 338.521 2.308 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCCc2sccc21 ZINC000664691386 471836101 /nfs/dbraw/zinc/83/61/01/471836101.db2.gz ZHAPYBBKCNHYTE-HNNXBMFYSA-N 2 2 338.521 2.308 10 0 EEAELP Cc1cc(NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn2cc[nH+]c12 ZINC000654102275 471838040 /nfs/dbraw/zinc/83/80/40/471838040.db2.gz OVRBRMMISNBFOV-KFWWJZLASA-N 2 2 345.447 2.262 10 0 EEAELP Cc1cc(NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn2cc[nH+]c12 ZINC000654102275 471838042 /nfs/dbraw/zinc/83/80/42/471838042.db2.gz OVRBRMMISNBFOV-KFWWJZLASA-N 2 2 345.447 2.262 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2nc(C)ccc2O)cc1 ZINC000656789921 471842067 /nfs/dbraw/zinc/84/20/67/471842067.db2.gz DBXNVLGCJVDHCP-IRXDYDNUSA-N 2 2 327.428 2.340 10 0 EEAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cn2cccn2)cc1 ZINC000665255707 471981474 /nfs/dbraw/zinc/98/14/74/471981474.db2.gz ZXLVEPODGQUUPU-MNEFBYGVSA-N 2 2 328.460 2.406 10 0 EEAELP Fc1ccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)nc1 ZINC000668164831 472034783 /nfs/dbraw/zinc/03/47/83/472034783.db2.gz HDCJROVQSLEICZ-UHFFFAOYSA-N 2 2 338.390 2.124 10 0 EEAELP CN(C)c1noc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271739 472051770 /nfs/dbraw/zinc/05/17/70/472051770.db2.gz YTXUIYWWFUWHLT-DLBZAZTESA-N 2 2 343.475 2.308 10 0 EEAELP CN(C)c1noc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271739 472051775 /nfs/dbraw/zinc/05/17/75/472051775.db2.gz YTXUIYWWFUWHLT-DLBZAZTESA-N 2 2 343.475 2.308 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317516 472067232 /nfs/dbraw/zinc/06/72/32/472067232.db2.gz QQCJDDBFLCMDGC-RCCFBDPRSA-N 2 2 339.524 2.209 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317516 472067236 /nfs/dbraw/zinc/06/72/36/472067236.db2.gz QQCJDDBFLCMDGC-RCCFBDPRSA-N 2 2 339.524 2.209 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000662320665 472070636 /nfs/dbraw/zinc/07/06/36/472070636.db2.gz IIQFFNFCQZWFNP-LJQANCHMSA-N 3 2 328.460 2.415 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000662320665 472070641 /nfs/dbraw/zinc/07/06/41/472070641.db2.gz IIQFFNFCQZWFNP-LJQANCHMSA-N 3 2 328.460 2.415 10 0 EEAELP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NCc1[nH+]ccn1CC(F)(F)F ZINC000662442669 472110421 /nfs/dbraw/zinc/11/04/21/472110421.db2.gz PNTOBMPSXNMWSK-ZDUSSCGKSA-N 2 2 338.333 2.296 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662504548 472132090 /nfs/dbraw/zinc/13/20/90/472132090.db2.gz XFIQUAHIXQGYSU-KRWDZBQOSA-N 2 2 326.444 2.424 10 0 EEAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668741540 472250134 /nfs/dbraw/zinc/25/01/34/472250134.db2.gz UBQDOGUTLGHVTN-LJQANCHMSA-N 2 2 340.471 2.416 10 0 EEAELP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668741540 472250141 /nfs/dbraw/zinc/25/01/41/472250141.db2.gz UBQDOGUTLGHVTN-LJQANCHMSA-N 2 2 340.471 2.416 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662800695 472257655 /nfs/dbraw/zinc/25/76/55/472257655.db2.gz WPPIGHZOVBPRBP-LBPRGKRZSA-N 2 2 348.472 2.449 10 0 EEAELP Cn1cc[nH+]c1N1CCN(Cc2c[nH+]c3ccc(Cl)cn23)CC1 ZINC000668793540 472270834 /nfs/dbraw/zinc/27/08/34/472270834.db2.gz FSIJOFBHMVVMNN-UHFFFAOYSA-N 2 2 330.823 2.043 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662877415 472287762 /nfs/dbraw/zinc/28/77/62/472287762.db2.gz BDAVZWKSSHQJRE-KRWDZBQOSA-N 2 2 340.427 2.062 10 0 EEAELP C[C@@H](NC(=O)c1ccc2c(ccn2CCC[NH3+])c1)c1[nH+]ccn1C ZINC000662935038 472303180 /nfs/dbraw/zinc/30/31/80/472303180.db2.gz RLIIEVWGLVJPGW-CYBMUJFWSA-N 2 2 325.416 2.215 10 0 EEAELP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047495935 485479031 /nfs/dbraw/zinc/47/90/31/485479031.db2.gz DRBOGEBHGKRJJH-HRCADAONSA-N 2 2 342.443 2.100 10 0 EEAELP C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000047495935 485479039 /nfs/dbraw/zinc/47/90/39/485479039.db2.gz DRBOGEBHGKRJJH-HRCADAONSA-N 2 2 342.443 2.100 10 0 EEAELP CC(C)[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000678795534 485504681 /nfs/dbraw/zinc/50/46/81/485504681.db2.gz CABIVYWJBLZYDL-QGZVFWFLSA-N 2 2 325.403 2.026 10 0 EEAELP CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc3[nH+]ccn3c2)CC1 ZINC000673858839 485557576 /nfs/dbraw/zinc/55/75/76/485557576.db2.gz SKQVLFGSJKMWRR-UHFFFAOYSA-N 2 2 345.447 2.345 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598198 485740088 /nfs/dbraw/zinc/74/00/88/485740088.db2.gz XKPNLNGGPRKREL-HZVDNRATSA-N 2 2 345.487 2.192 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629598198 485740096 /nfs/dbraw/zinc/74/00/96/485740096.db2.gz XKPNLNGGPRKREL-HZVDNRATSA-N 2 2 345.487 2.192 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000684181836 485792905 /nfs/dbraw/zinc/79/29/05/485792905.db2.gz IKWVQKVOUOUCAE-IRXDYDNUSA-N 2 2 328.391 2.131 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC4CCC3CC4)C2)CC1 ZINC000676154678 486155841 /nfs/dbraw/zinc/15/58/41/486155841.db2.gz QFHAOHRHBNVCLZ-OBQMCRIKSA-N 2 2 334.508 2.033 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3CC4CCC3CC4)C2)CC1 ZINC000676154678 486155849 /nfs/dbraw/zinc/15/58/49/486155849.db2.gz QFHAOHRHBNVCLZ-OBQMCRIKSA-N 2 2 334.508 2.033 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133180453 528815351 /nfs/dbraw/zinc/81/53/51/528815351.db2.gz UBQQDAYQOZKGOO-DOTOQJQBSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133180453 528815352 /nfs/dbraw/zinc/81/53/52/528815352.db2.gz UBQQDAYQOZKGOO-DOTOQJQBSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133180453 528815353 /nfs/dbraw/zinc/81/53/53/528815353.db2.gz UBQQDAYQOZKGOO-DOTOQJQBSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000133180453 528815354 /nfs/dbraw/zinc/81/53/54/528815354.db2.gz UBQQDAYQOZKGOO-DOTOQJQBSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+]1CCCCC1 ZINC000171476349 528923221 /nfs/dbraw/zinc/92/32/21/528923221.db2.gz WWCCCUQRQCMBFT-GOSISDBHSA-N 2 2 341.459 2.394 10 0 EEAELP CC[NH+](CC)CC1CC[NH+](Cn2c3ccccc3n(C)c2=O)CC1 ZINC000738070860 577998295 /nfs/dbraw/zinc/99/82/95/577998295.db2.gz LQULMIABNKQVAB-UHFFFAOYSA-N 2 2 330.476 2.351 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCC(C(N)=O)CC3)CC2)cc1 ZINC000772984037 577309138 /nfs/dbraw/zinc/30/91/38/577309138.db2.gz MFLZVVCPDSHAPF-UHFFFAOYSA-N 2 2 344.503 2.355 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CN1CCOC1=S ZINC000755763086 577830614 /nfs/dbraw/zinc/83/06/14/577830614.db2.gz NZNYFCSSKYHPGC-AWEZNQCLSA-N 2 2 330.457 2.384 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CN1CCOC1=S ZINC000755763086 577830615 /nfs/dbraw/zinc/83/06/15/577830615.db2.gz NZNYFCSSKYHPGC-AWEZNQCLSA-N 2 2 330.457 2.384 10 0 EEAELP COC(=O)[C@@H]1[C@@H](C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)C1(F)F ZINC000894581166 682980549 /nfs/dbraw/zinc/98/05/49/682980549.db2.gz KOUOLSQIBMUUIL-HIFRSBDPSA-N 2 2 340.370 2.288 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000898901614 693515308 /nfs/dbraw/zinc/51/53/08/693515308.db2.gz LMOWLIFFHIZKLG-KRWDZBQOSA-N 2 2 326.444 2.399 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000898901614 693515311 /nfs/dbraw/zinc/51/53/11/693515311.db2.gz LMOWLIFFHIZKLG-KRWDZBQOSA-N 2 2 326.444 2.399 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]c[nH+]c2C)co1 ZINC001266243931 1176011745 /nfs/dbraw/zinc/01/17/45/1176011745.db2.gz FQQHKMLKSWFHNA-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]c[nH+]c2C)co1 ZINC001266243931 1176011755 /nfs/dbraw/zinc/01/17/55/1176011755.db2.gz FQQHKMLKSWFHNA-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1csc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001266245669 1176015193 /nfs/dbraw/zinc/01/51/93/1176015193.db2.gz DUXJAIVAZNGNLT-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1csc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001266245669 1176015203 /nfs/dbraw/zinc/01/52/03/1176015203.db2.gz DUXJAIVAZNGNLT-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001266870892 1177660559 /nfs/dbraw/zinc/66/05/59/1177660559.db2.gz VQVVIIOCGVNKHM-QWHCGFSZSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001266870892 1177660562 /nfs/dbraw/zinc/66/05/62/1177660562.db2.gz VQVVIIOCGVNKHM-QWHCGFSZSA-N 2 2 328.407 2.072 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267047573 1178147460 /nfs/dbraw/zinc/14/74/60/1178147460.db2.gz OMFLHYQHZIOYAF-DWTRPJMMSA-N 2 2 331.460 2.427 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001267073108 1178191846 /nfs/dbraw/zinc/19/18/46/1178191846.db2.gz NWXRANWWDGKQLA-KYLNKMBASA-N 2 2 338.455 2.425 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001267175888 1178418886 /nfs/dbraw/zinc/41/88/86/1178418886.db2.gz VJSIFDINMPVIMH-AEFFLSMTSA-N 2 2 337.508 2.011 10 0 EEAELP CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001267175888 1178418887 /nfs/dbraw/zinc/41/88/87/1178418887.db2.gz VJSIFDINMPVIMH-AEFFLSMTSA-N 2 2 337.508 2.011 10 0 EEAELP CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001267175888 1178418889 /nfs/dbraw/zinc/41/88/89/1178418889.db2.gz VJSIFDINMPVIMH-AEFFLSMTSA-N 2 2 337.508 2.011 10 0 EEAELP CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001267175888 1178418890 /nfs/dbraw/zinc/41/88/90/1178418890.db2.gz VJSIFDINMPVIMH-AEFFLSMTSA-N 2 2 337.508 2.011 10 0 EEAELP CN(CC[NH2+]CCC1CCOCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267390004 1178954503 /nfs/dbraw/zinc/95/45/03/1178954503.db2.gz CCTSTHUYEVEOJX-UHFFFAOYSA-N 2 2 330.432 2.041 10 0 EEAELP CN(CC[NH2+]Cc1ccncc1Cl)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001481246349 1180433964 /nfs/dbraw/zinc/43/39/64/1180433964.db2.gz QPGSLLFNCYRDKA-UHFFFAOYSA-N 2 2 343.818 2.473 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CCCc1cccc(C)c1 ZINC001481307992 1180989087 /nfs/dbraw/zinc/98/90/87/1180989087.db2.gz HWGIXTLTXRINAY-UHFFFAOYSA-N 2 2 328.460 2.250 10 0 EEAELP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481485534 1181536786 /nfs/dbraw/zinc/53/67/86/1181536786.db2.gz IABUJZQZFZISQN-INIZCTEOSA-N 2 2 344.459 2.073 10 0 EEAELP CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481485534 1181536790 /nfs/dbraw/zinc/53/67/90/1181536790.db2.gz IABUJZQZFZISQN-INIZCTEOSA-N 2 2 344.459 2.073 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268077438 1181686118 /nfs/dbraw/zinc/68/61/18/1181686118.db2.gz YQLWJPHCYFOMRJ-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP Cc1csc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC001268164493 1181885603 /nfs/dbraw/zinc/88/56/03/1181885603.db2.gz AAUQIMIJGVNSSV-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268419585 1182585112 /nfs/dbraw/zinc/58/51/12/1182585112.db2.gz QTWQONUIXKAKLT-CQSZACIVSA-N 2 2 340.471 2.434 10 0 EEAELP CCc1cnc(C[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001268469136 1182813183 /nfs/dbraw/zinc/81/31/83/1182813183.db2.gz ILENTHZNYFCOOQ-UHFFFAOYSA-N 2 2 336.480 2.050 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1Cl)C(=O)Cn1cc[nH+]c1 ZINC001268503029 1183057969 /nfs/dbraw/zinc/05/79/69/1183057969.db2.gz WNDYYRNWGRMPJR-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP CC(C)c1noc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001268579320 1183349338 /nfs/dbraw/zinc/34/93/38/1183349338.db2.gz PMXMOASQYNABFM-BEWKBBBFSA-N 2 2 349.479 2.000 10 0 EEAELP CC(C)c1noc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001268579320 1183349343 /nfs/dbraw/zinc/34/93/43/1183349343.db2.gz PMXMOASQYNABFM-BEWKBBBFSA-N 2 2 349.479 2.000 10 0 EEAELP CC[C@H](F)C[NH2+]C[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001482152034 1183470777 /nfs/dbraw/zinc/47/07/77/1183470777.db2.gz QVFVYRSRAHCPFR-HIFRSBDPSA-N 2 2 334.439 2.275 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268667845 1183594133 /nfs/dbraw/zinc/59/41/33/1183594133.db2.gz ZCZUFFSONONBJZ-XQJDBVBESA-N 2 2 332.835 2.413 10 0 EEAELP COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268757844 1183672367 /nfs/dbraw/zinc/67/23/67/1183672367.db2.gz FAFVGZJGWHQGLM-DLBZAZTESA-N 2 2 344.459 2.167 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F 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FGPCLGXDNGZQDE-QAPCUYQASA-N 2 2 336.455 2.166 10 0 EEAELP C[C@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+](CCCCCF)C1 ZINC001270599354 1185195752 /nfs/dbraw/zinc/19/57/52/1185195752.db2.gz FGPCLGXDNGZQDE-QAPCUYQASA-N 2 2 336.455 2.166 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001482312362 1185291320 /nfs/dbraw/zinc/29/13/20/1185291320.db2.gz GSSDMUSYQNKSLZ-KBPBESRZSA-N 2 2 328.407 2.145 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001271074025 1185858809 /nfs/dbraw/zinc/85/88/09/1185858809.db2.gz CZHFVCQPTQKPAR-FUHWJXTLSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001271074025 1185858816 /nfs/dbraw/zinc/85/88/16/1185858816.db2.gz CZHFVCQPTQKPAR-FUHWJXTLSA-N 2 2 337.508 2.033 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]Cc1cscn1 ZINC001271558432 1186309237 /nfs/dbraw/zinc/30/92/37/1186309237.db2.gz NAMPXCSNSDEJMH-INIZCTEOSA-N 2 2 347.488 2.291 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CCc1ccccc1 ZINC001271759574 1186465416 /nfs/dbraw/zinc/46/54/16/1186465416.db2.gz RZNPDRPUFKQMCF-PKOBYXMFSA-N 2 2 340.471 2.343 10 0 EEAELP Cc1cnc([C@H](C)[N@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)o1 ZINC001482603553 1187351549 /nfs/dbraw/zinc/35/15/49/1187351549.db2.gz JLMHJLGGRACRCJ-JKSUJKDBSA-N 2 2 336.480 2.309 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)o1 ZINC001482603553 1187351552 /nfs/dbraw/zinc/35/15/52/1187351552.db2.gz JLMHJLGGRACRCJ-JKSUJKDBSA-N 2 2 336.480 2.309 10 0 EEAELP Cc1cnc([C@H](C)[NH+](C)CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)o1 ZINC001482603553 1187351556 /nfs/dbraw/zinc/35/15/56/1187351556.db2.gz JLMHJLGGRACRCJ-JKSUJKDBSA-N 2 2 336.480 2.309 10 0 EEAELP Cc1cnc([C@H](C)[NH+](C)CCN(C)C(=O)CC[C@H]2CCC[N@H+]2C)o1 ZINC001482603553 1187351564 /nfs/dbraw/zinc/35/15/64/1187351564.db2.gz JLMHJLGGRACRCJ-JKSUJKDBSA-N 2 2 336.480 2.309 10 0 EEAELP CC(C)C[C@H](C(=O)N(C)CC[NH2+]Cc1ccns1)n1cc[nH+]c1 ZINC001493586681 1193533646 /nfs/dbraw/zinc/53/36/46/1193533646.db2.gz BGAPGGOFZVSZCK-OAHLLOKOSA-N 2 2 335.477 2.175 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)CCc2[nH+]ccn2C)c1 ZINC001483038573 1188083178 /nfs/dbraw/zinc/08/31/78/1188083178.db2.gz VOXMRTGWVKJPQE-ARJAWSKDSA-N 2 2 344.434 2.262 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1)c1ccc2c(c1)CCC2 ZINC001483064469 1188385582 /nfs/dbraw/zinc/38/55/82/1188385582.db2.gz KCENVEIGOAZVKR-FAAWYNLUSA-N 2 2 338.455 2.464 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001483081817 1188443516 /nfs/dbraw/zinc/44/35/16/1188443516.db2.gz FQGYAXGAEASCEF-IHWYPQMZSA-N 2 2 348.397 2.362 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001483100144 1188477407 /nfs/dbraw/zinc/47/74/07/1188477407.db2.gz AKKUYJBQVMRXKE-WHLIDYPQSA-N 2 2 338.455 2.265 10 0 EEAELP CCc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001409347751 1189558778 /nfs/dbraw/zinc/55/87/78/1189558778.db2.gz FZBVWXXBKFXLNP-KBPBESRZSA-N 2 2 347.463 2.160 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1 ZINC001485890093 1193630984 /nfs/dbraw/zinc/63/09/84/1193630984.db2.gz BCMPFQIVICYHRJ-DOTOQJQBSA-N 2 2 326.444 2.082 10 0 EEAELP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001409445211 1189686701 /nfs/dbraw/zinc/68/67/01/1189686701.db2.gz IJLXQYDVDXHLQZ-LSDHHAIUSA-N 2 2 338.471 2.268 10 0 EEAELP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485906785 1193635736 /nfs/dbraw/zinc/63/57/36/1193635736.db2.gz ZNRAJQUDWKDZFK-CYBMUJFWSA-N 2 2 349.866 2.038 10 0 EEAELP CO[C@H](C[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001409581421 1190067501 /nfs/dbraw/zinc/06/75/01/1190067501.db2.gz HYOHGACHGBFWIJ-RHSMWYFYSA-N 2 2 344.459 2.200 10 0 EEAELP CO[C@H](C[N@@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001409581421 1190067505 /nfs/dbraw/zinc/06/75/05/1190067505.db2.gz HYOHGACHGBFWIJ-RHSMWYFYSA-N 2 2 344.459 2.200 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001272513196 1190862298 /nfs/dbraw/zinc/86/22/98/1190862298.db2.gz OPRSOSCWYCGVHF-SFHVURJKSA-N 2 2 326.444 2.302 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]Cc2cccc(F)c2F)C1 ZINC001272598714 1190913261 /nfs/dbraw/zinc/91/32/61/1190913261.db2.gz JGQGSBVBMNAVIZ-ZDUSSCGKSA-N 2 2 348.397 2.259 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001483846615 1191081523 /nfs/dbraw/zinc/08/15/23/1191081523.db2.gz VRDPXVQAXMKAAC-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP CCCCOCC[N@H+]1CC[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001483846615 1191081525 /nfs/dbraw/zinc/08/15/25/1191081525.db2.gz VRDPXVQAXMKAAC-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001483930053 1191122166 /nfs/dbraw/zinc/12/21/66/1191122166.db2.gz WOUDAEHEUXGGJI-NFBGWVBBSA-N 2 2 336.867 2.095 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001484113767 1191214077 /nfs/dbraw/zinc/21/40/77/1191214077.db2.gz ISYMVCJEYFHIGC-KSSFIOAISA-N 2 2 345.447 2.159 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001484379138 1191321529 /nfs/dbraw/zinc/32/15/29/1191321529.db2.gz ZHPPPGWGAWNHHZ-YZJPHSQXSA-N 2 2 338.455 2.350 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001484463471 1191367933 /nfs/dbraw/zinc/36/79/33/1191367933.db2.gz JSSFKHBJJSVEPT-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001484463471 1191367934 /nfs/dbraw/zinc/36/79/34/1191367934.db2.gz JSSFKHBJJSVEPT-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC001485233575 1191700778 /nfs/dbraw/zinc/70/07/78/1191700778.db2.gz FNNKDKUXEZHTAL-HUUCEWRRSA-N 2 2 342.443 2.107 10 0 EEAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)Cc1ccc(F)cn1 ZINC001485359486 1191762868 /nfs/dbraw/zinc/76/28/68/1191762868.db2.gz 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CCOC(=O)c1c[nH]nc1[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000931010860 1206599649 /nfs/dbraw/zinc/59/96/49/1206599649.db2.gz TXHRNNMHOIJBED-OAHLLOKOSA-N 2 2 334.464 2.252 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931223590 1206617436 /nfs/dbraw/zinc/61/74/36/1206617436.db2.gz DMKYJTUWXQFHSJ-SLFFLAALSA-N 2 2 330.472 2.170 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CCNC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001412951521 1216150115 /nfs/dbraw/zinc/15/01/15/1216150115.db2.gz UABCBVZBOYSPKO-APWZRJJASA-N 2 2 329.488 2.498 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CCNC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001412951521 1216150121 /nfs/dbraw/zinc/15/01/21/1216150121.db2.gz UABCBVZBOYSPKO-APWZRJJASA-N 2 2 329.488 2.498 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CCNC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001412951521 1216150122 /nfs/dbraw/zinc/15/01/22/1216150122.db2.gz UABCBVZBOYSPKO-APWZRJJASA-N 2 2 329.488 2.498 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CCNC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001412951521 1216150124 /nfs/dbraw/zinc/15/01/24/1216150124.db2.gz UABCBVZBOYSPKO-APWZRJJASA-N 2 2 329.488 2.498 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900009754 1233970949 /nfs/dbraw/zinc/97/09/49/1233970949.db2.gz NGRAFPXMFRLZAS-SFHVURJKSA-N 2 2 341.459 2.209 10 0 EEAELP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900009754 1233970954 /nfs/dbraw/zinc/97/09/54/1233970954.db2.gz NGRAFPXMFRLZAS-SFHVURJKSA-N 2 2 341.459 2.209 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902895030 1238948796 /nfs/dbraw/zinc/94/87/96/1238948796.db2.gz RTZSQBPRISODEM-QGTPRVQTSA-N 2 2 342.443 2.159 10 0 EEAELP CC1(C)C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H]1[NH3+] ZINC000903555894 1240918609 /nfs/dbraw/zinc/91/86/09/1240918609.db2.gz FVJVTJYMPCBALM-MRXNPFEDSA-N 2 2 328.464 2.180 10 0 EEAELP CC1(C)C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@H]1[NH3+] ZINC000903555894 1240918614 /nfs/dbraw/zinc/91/86/14/1240918614.db2.gz 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ZINC001317100263 1332079043 /nfs/dbraw/zinc/07/90/43/1332079043.db2.gz PCKZEXPJNCVQDW-WMZOPIPTSA-N 2 2 348.491 2.000 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317100263 1332079045 /nfs/dbraw/zinc/07/90/45/1332079045.db2.gz PCKZEXPJNCVQDW-WMZOPIPTSA-N 2 2 348.491 2.000 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317186642 1332121395 /nfs/dbraw/zinc/12/13/95/1332121395.db2.gz AEYUCXBIYVDGER-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CCCCC(F)(F)F ZINC001317258261 1332155789 /nfs/dbraw/zinc/15/57/89/1332155789.db2.gz UMERRBFWWISYFS-STQMWFEESA-N 2 2 346.397 2.272 10 0 EEAELP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001317597738 1332317554 /nfs/dbraw/zinc/31/75/54/1332317554.db2.gz IKXHQTGPGVXACQ-IAGOWNOFSA-N 2 2 326.444 2.378 10 0 EEAELP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001317597738 1332317557 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O=C(NC[C@@H]([NH2+]Cc1cncs1)C1CC1)c1cccc2[nH+]ccn21 ZINC001566715935 1342612189 /nfs/dbraw/zinc/61/21/89/1342612189.db2.gz FJBCKWKQMSYMEZ-CQSZACIVSA-N 2 2 341.440 2.089 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CCC[N@H+](CCCCCF)C1 ZINC001569723860 1342933444 /nfs/dbraw/zinc/93/34/44/1342933444.db2.gz KXWDZIBSWOJENG-GOSISDBHSA-N 2 2 338.471 2.321 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CCC[N@@H+](CCCCCF)C1 ZINC001569723860 1342933445 /nfs/dbraw/zinc/93/34/45/1342933445.db2.gz KXWDZIBSWOJENG-GOSISDBHSA-N 2 2 338.471 2.321 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571362112 1343198674 /nfs/dbraw/zinc/19/86/74/1343198674.db2.gz BVBCPAFRLIIIRI-SJORKVTESA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001649434707 1353501880 /nfs/dbraw/zinc/50/18/80/1353501880.db2.gz WAGQLZPCGVPNNL-NEPJUHHUSA-N 2 2 345.274 2.488 10 0 EEAELP c1ccc(C[NH+]2CCC[N@@H+](CCC3OCCCO3)CCOCC2)cc1 ZINC001655705012 1354182363 /nfs/dbraw/zinc/18/23/63/1354182363.db2.gz XPLBCMLCZFCVHE-UHFFFAOYSA-N 2 2 348.487 2.364 10 0 EEAELP c1ccc(C[NH+]2CCC[N@H+](CCC3OCCCO3)CCOCC2)cc1 ZINC001655705012 1354182365 /nfs/dbraw/zinc/18/23/65/1354182365.db2.gz XPLBCMLCZFCVHE-UHFFFAOYSA-N 2 2 348.487 2.364 10 0 EEAELP c1ccc(C[N@H+]2CCC[NH+](CCC3OCCCO3)CCOCC2)cc1 ZINC001655705012 1354182366 /nfs/dbraw/zinc/18/23/66/1354182366.db2.gz XPLBCMLCZFCVHE-UHFFFAOYSA-N 2 2 348.487 2.364 10 0 EEAELP c1ccc(C[N@@H+]2CCC[NH+](CCC3OCCCO3)CCOCC2)cc1 ZINC001655705012 1354182368 /nfs/dbraw/zinc/18/23/68/1354182368.db2.gz XPLBCMLCZFCVHE-UHFFFAOYSA-N 2 2 348.487 2.364 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001656909852 1354298826 /nfs/dbraw/zinc/29/88/26/1354298826.db2.gz RXPXLKKBELPUNA-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCC[C@H]2CCOC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001661614524 1354665484 /nfs/dbraw/zinc/66/54/84/1354665484.db2.gz KFQNVYAKQZANHP-CWRNSKLLSA-N 2 2 342.443 2.230 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]CCC2CCOCC2)c(C)[nH+]1 ZINC001664085237 1355088908 /nfs/dbraw/zinc/08/89/08/1355088908.db2.gz AGAOZAGYYJGTLZ-UHFFFAOYSA-N 2 2 333.476 2.485 10 0 EEAELP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001664441821 1355164674 /nfs/dbraw/zinc/16/46/74/1355164674.db2.gz GYDCNZFPVMPHJV-GDBMZVCRSA-N 2 2 336.455 2.022 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001666167470 1355473919 /nfs/dbraw/zinc/47/39/19/1355473919.db2.gz KUFXMONOVBCVOS-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cc2ccccc2o1 ZINC001666673851 1355563978 /nfs/dbraw/zinc/56/39/78/1355563978.db2.gz XMIOHFKFKKFDGC-AWEZNQCLSA-N 2 2 326.400 2.171 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)[C@H](C)C[NH2+]CC[C@@H](C)F)[nH+]c12 ZINC001667012966 1355632419 /nfs/dbraw/zinc/63/24/19/1355632419.db2.gz HEPDYYDSQWBAAO-HUUCEWRRSA-N 2 2 334.439 2.370 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCc1cccs1 ZINC001667395280 1355731489 /nfs/dbraw/zinc/73/14/89/1355731489.db2.gz ZBTAUGLYVHEQSE-RHSMWYFYSA-N 2 2 346.500 2.473 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001667752822 1355807476 /nfs/dbraw/zinc/80/74/76/1355807476.db2.gz VQBUZPSJFWZYSB-FUHWJXTLSA-N 2 2 348.491 2.034 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)Cn1cc[nH+]c1C ZINC001668644203 1355978379 /nfs/dbraw/zinc/97/83/79/1355978379.db2.gz AIXQMZKMEFWYJA-UHFFFAOYSA-N 2 2 347.463 2.115 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]CC[C@H]2CCOC2)c(C)[nH+]1 ZINC001670184684 1356292362 /nfs/dbraw/zinc/29/23/62/1356292362.db2.gz OATOQDMXMYCFPY-KRWDZBQOSA-N 2 2 333.476 2.485 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CC(C[NH2+]CCc2cccs2)C1 ZINC001674565918 1356859161 /nfs/dbraw/zinc/85/91/61/1356859161.db2.gz PHGPLRGJHVDGES-UHFFFAOYSA-N 2 2 332.473 2.062 10 0 EEAELP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CC(F)(F)C(F)F)CC1 ZINC001674804563 1356899002 /nfs/dbraw/zinc/89/90/02/1356899002.db2.gz MDDUSNRSHMOELZ-UHFFFAOYSA-N 2 2 341.393 2.198 10 0 EEAELP CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC([NH2+]CCOCC2CCC2)CC1 ZINC001674804841 1356899186 /nfs/dbraw/zinc/89/91/86/1356899186.db2.gz XJJQYJCFZOADIF-UHFFFAOYSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691705709 1368760253 /nfs/dbraw/zinc/76/02/53/1368760253.db2.gz ASTDJDDADWDYOA-IYBDPMFKSA-N 2 2 330.476 2.213 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001698766497 1405049925 /nfs/dbraw/zinc/04/99/25/1405049925.db2.gz NPZCVZZKFJREMK-DOTOQJQBSA-N 2 2 340.471 2.414 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@H+]2CCCCCF)C1 ZINC001699007833 1405218737 /nfs/dbraw/zinc/21/87/37/1405218737.db2.gz GIVDFTXHDHDSTD-IRXDYDNUSA-N 2 2 336.455 2.336 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001699007833 1405218743 /nfs/dbraw/zinc/21/87/43/1405218743.db2.gz GIVDFTXHDHDSTD-IRXDYDNUSA-N 2 2 336.455 2.336 10 0 EEAELP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001699111359 1405267332 /nfs/dbraw/zinc/26/73/32/1405267332.db2.gz BMPCBLKEWZXPMZ-DOTOQJQBSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001699276350 1405309734 /nfs/dbraw/zinc/30/97/34/1405309734.db2.gz JDVAKELWUIQACM-KVLZDYKBSA-N 2 2 338.455 2.216 10 0 EEAELP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001699517553 1405369485 /nfs/dbraw/zinc/36/94/85/1405369485.db2.gz QGUWPZXXQKRRJP-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001699751821 1405466753 /nfs/dbraw/zinc/46/67/53/1405466753.db2.gz IDBLBXMLQSXNAV-JKSUJKDBSA-N 2 2 342.443 2.326 10 0 EEAELP Cc1cnc(C[N@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001699827679 1405514143 /nfs/dbraw/zinc/51/41/43/1405514143.db2.gz RBXLVXYVWBKUFS-QGZVFWFLSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1cnc(C[N@@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001699827679 1405514149 /nfs/dbraw/zinc/51/41/49/1405514149.db2.gz RBXLVXYVWBKUFS-QGZVFWFLSA-N 2 2 338.521 2.264 10 0 EEAELP C[C@@H](CC[NH2+]CC1CCS(=O)(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000693039476 757476018 /nfs/dbraw/zinc/47/60/18/757476018.db2.gz HQMARAHYRAHATC-INIZCTEOSA-N 2 2 338.517 2.311 10 0 EEAELP C[C@@H](CC[NH2+]CC1CCS(=O)(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000693039476 757476024 /nfs/dbraw/zinc/47/60/24/757476024.db2.gz HQMARAHYRAHATC-INIZCTEOSA-N 2 2 338.517 2.311 10 0 EEAELP CC(=O)Nc1ccc2c(C[NH+]3CCC4(CC[NH2+]4)CC3)cc(=O)oc2c1 ZINC000817880376 785041440 /nfs/dbraw/zinc/04/14/40/785041440.db2.gz QUVOOXRYAZLFFB-UHFFFAOYSA-N 2 2 341.411 2.079 10 0 EEAELP C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000912391962 788156229 /nfs/dbraw/zinc/15/62/29/788156229.db2.gz OSTPMKLSVYUCKV-CABCVRRESA-N 2 2 344.459 2.130 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@@H](C)C1 ZINC000930000384 798403756 /nfs/dbraw/zinc/40/37/56/798403756.db2.gz OPPLSINSJZDVAY-WFASDCNBSA-N 2 2 334.489 2.227 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@@H](C)C1 ZINC000930000384 798403760 /nfs/dbraw/zinc/40/37/60/798403760.db2.gz OPPLSINSJZDVAY-WFASDCNBSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@@H](C)C1 ZINC000930000384 798403762 /nfs/dbraw/zinc/40/37/62/798403762.db2.gz OPPLSINSJZDVAY-WFASDCNBSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)n3cc(C)sc3n2)[C@@H](C)C1 ZINC000930000384 798403764 /nfs/dbraw/zinc/40/37/64/798403764.db2.gz OPPLSINSJZDVAY-WFASDCNBSA-N 2 2 334.489 2.227 10 0 EEAELP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1n[nH]c3ccccc31)C2 ZINC000922386400 800944616 /nfs/dbraw/zinc/94/46/16/800944616.db2.gz HCZVMAWNVNJILH-OWYHZJEWSA-N 2 2 328.460 2.132 10 0 EEAELP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1n[nH]c3ccccc31)C2 ZINC000922386400 800944620 /nfs/dbraw/zinc/94/46/20/800944620.db2.gz HCZVMAWNVNJILH-OWYHZJEWSA-N 2 2 328.460 2.132 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]Cc1nccs1 ZINC001565940922 1125467098 /nfs/dbraw/zinc/46/70/98/1125467098.db2.gz FWMPTNTYPPVLHA-ZIAGYGMSSA-N 2 2 347.488 2.216 10 0 EEAELP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1cc(C(C)(C)C)on1)[NH+](C)C ZINC001566492422 1125657454 /nfs/dbraw/zinc/65/74/54/1125657454.db2.gz GYTNRMKCPCFETB-HNNXBMFYSA-N 2 2 338.496 2.250 10 0 EEAELP CC[C@@H](C(=O)NCCC[N@@H+](C)Cc1cc(C(C)(C)C)on1)[NH+](C)C ZINC001566492422 1125657458 /nfs/dbraw/zinc/65/74/58/1125657458.db2.gz GYTNRMKCPCFETB-HNNXBMFYSA-N 2 2 338.496 2.250 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ncc(Cl)s1 ZINC001566543215 1125713574 /nfs/dbraw/zinc/71/35/74/1125713574.db2.gz KTIHUYGINBGXQC-LBPRGKRZSA-N 2 2 344.912 2.219 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ncc(Cl)s1 ZINC001566543215 1125713580 /nfs/dbraw/zinc/71/35/80/1125713580.db2.gz KTIHUYGINBGXQC-LBPRGKRZSA-N 2 2 344.912 2.219 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ncc(Cl)s1 ZINC001566543215 1125713587 /nfs/dbraw/zinc/71/35/87/1125713587.db2.gz KTIHUYGINBGXQC-LBPRGKRZSA-N 2 2 344.912 2.219 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ncc(Cl)s1 ZINC001566543215 1125713596 /nfs/dbraw/zinc/71/35/96/1125713596.db2.gz KTIHUYGINBGXQC-LBPRGKRZSA-N 2 2 344.912 2.219 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCOCC1 ZINC001566554313 1125725630 /nfs/dbraw/zinc/72/56/30/1125725630.db2.gz BZZSICIAPFBVRE-UHFFFAOYSA-N 2 2 344.459 2.431 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCOCC1 ZINC001566554313 1125725635 /nfs/dbraw/zinc/72/56/35/1125725635.db2.gz BZZSICIAPFBVRE-UHFFFAOYSA-N 2 2 344.459 2.431 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001436895187 1088545450 /nfs/dbraw/zinc/54/54/50/1088545450.db2.gz MFBLHCSUULQNNI-QEJZJMRPSA-N 2 2 340.418 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+]C[C@H]2CCCC(F)(F)C2)C1 ZINC001436895187 1088545456 /nfs/dbraw/zinc/54/54/56/1088545456.db2.gz MFBLHCSUULQNNI-QEJZJMRPSA-N 2 2 340.418 2.405 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC001436903443 1088559078 /nfs/dbraw/zinc/55/90/78/1088559078.db2.gz PZGLGEZBKJCZBE-BQFCYCMXSA-N 2 2 338.455 2.277 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](CNC(=O)C[NH+]3CCC(C)CC3)C2)co1 ZINC001437000465 1088750959 /nfs/dbraw/zinc/75/09/59/1088750959.db2.gz UVMQOCNDGVOMFU-QGZVFWFLSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](CNC(=O)C[NH+]3CCC(C)CC3)C2)co1 ZINC001437000465 1088750965 /nfs/dbraw/zinc/75/09/65/1088750965.db2.gz UVMQOCNDGVOMFU-QGZVFWFLSA-N 2 2 348.491 2.043 10 0 EEAELP CO[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001437038958 1088894124 /nfs/dbraw/zinc/89/41/24/1088894124.db2.gz TYPMEHBHYCVLMV-QZTJIDSGSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001437038958 1088894144 /nfs/dbraw/zinc/89/41/44/1088894144.db2.gz TYPMEHBHYCVLMV-QZTJIDSGSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC001437038958 1088894163 /nfs/dbraw/zinc/89/41/63/1088894163.db2.gz TYPMEHBHYCVLMV-QZTJIDSGSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC001437038958 1088894176 /nfs/dbraw/zinc/89/41/76/1088894176.db2.gz TYPMEHBHYCVLMV-QZTJIDSGSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cc(F)ccc1F ZINC001437160153 1089168952 /nfs/dbraw/zinc/16/89/52/1089168952.db2.gz AUZCXEUCRPTQPD-QWHCGFSZSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001437161398 1089170915 /nfs/dbraw/zinc/17/09/15/1089170915.db2.gz CMNVHVYBXKVAMV-ZFWWWQNUSA-N 2 2 346.862 2.393 10 0 EEAELP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001437354380 1089575713 /nfs/dbraw/zinc/57/57/13/1089575713.db2.gz XVLVLIBMNQYYMX-KRWDZBQOSA-N 2 2 348.491 2.317 10 0 EEAELP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001437354380 1089575717 /nfs/dbraw/zinc/57/57/17/1089575717.db2.gz XVLVLIBMNQYYMX-KRWDZBQOSA-N 2 2 348.491 2.317 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1c(C)nsc1C ZINC001437674443 1090204353 /nfs/dbraw/zinc/20/43/53/1090204353.db2.gz VVRBLUPGNROAPE-HNNXBMFYSA-N 2 2 347.488 2.046 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001437692281 1090234994 /nfs/dbraw/zinc/23/49/94/1090234994.db2.gz FBAOEOLLIZZDOW-OAHLLOKOSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001437692281 1090235002 /nfs/dbraw/zinc/23/50/02/1090235002.db2.gz FBAOEOLLIZZDOW-OAHLLOKOSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001437692281 1090235006 /nfs/dbraw/zinc/23/50/06/1090235006.db2.gz FBAOEOLLIZZDOW-OAHLLOKOSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001437692281 1090235027 /nfs/dbraw/zinc/23/50/27/1090235027.db2.gz FBAOEOLLIZZDOW-OAHLLOKOSA-N 2 2 336.480 2.219 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001437931060 1090524170 /nfs/dbraw/zinc/52/41/70/1090524170.db2.gz QHJUBZFJEDQNSD-QGZVFWFLSA-N 2 2 332.492 2.371 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001437931060 1090524173 /nfs/dbraw/zinc/52/41/73/1090524173.db2.gz QHJUBZFJEDQNSD-QGZVFWFLSA-N 2 2 332.492 2.371 10 0 EEAELP CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cnc(C)s1 ZINC001438342488 1090819482 /nfs/dbraw/zinc/81/94/82/1090819482.db2.gz MBLZEOJRERADKC-OCCSQVGLSA-N 2 2 335.477 2.284 10 0 EEAELP Cc1conc1C[NH2+]C[C@@](C)(NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001438426942 1090924196 /nfs/dbraw/zinc/92/41/96/1090924196.db2.gz YHBMHYASZCORIP-RDTXWAMCSA-N 2 2 345.447 2.205 10 0 EEAELP CCc1nocc1C[NH2+]C[C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001438510136 1091003435 /nfs/dbraw/zinc/00/34/35/1091003435.db2.gz TVOHIIPZZUUUHE-ZDUSSCGKSA-N 2 2 347.463 2.019 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCc2ccc(F)cc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438712210 1091230695 /nfs/dbraw/zinc/23/06/95/1091230695.db2.gz GNDQQKYFASBLSO-DYVFJYSZSA-N 2 2 330.407 2.146 10 0 EEAELP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001438772477 1091358500 /nfs/dbraw/zinc/35/85/00/1091358500.db2.gz QFRQYKUWPAOXRR-CHWSQXEVSA-N 2 2 345.274 2.419 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC001438929331 1091607270 /nfs/dbraw/zinc/60/72/70/1091607270.db2.gz RYJQAGVKUZFOBW-AWEZNQCLSA-N 2 2 342.434 2.476 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC001438929331 1091607275 /nfs/dbraw/zinc/60/72/75/1091607275.db2.gz RYJQAGVKUZFOBW-AWEZNQCLSA-N 2 2 342.434 2.476 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@H](C)NC(=O)c2cc(C[NH+](C)C)on2)c1 ZINC001439226888 1091870536 /nfs/dbraw/zinc/87/05/36/1091870536.db2.gz OWEVSBVYDIDGEM-ZDUSSCGKSA-N 2 2 348.422 2.092 10 0 EEAELP O=C(N[C@H](C[NH2+]Cc1ccsc1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001445956333 1091901305 /nfs/dbraw/zinc/90/13/05/1091901305.db2.gz MDYDOJIQCFNGRH-NVXWUHKLSA-N 2 2 344.484 2.192 10 0 EEAELP O=C(N[C@H](C[NH2+]Cc1ccsc1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001445956405 1091902021 /nfs/dbraw/zinc/90/20/21/1091902021.db2.gz MEQCKTJGGFYRCN-JKSUJKDBSA-N 2 2 344.484 2.192 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]Cc3coc(C4CC4)n3)CC2)CC[N@@H+]1C ZINC001439640003 1092563989 /nfs/dbraw/zinc/56/39/89/1092563989.db2.gz NXONIRZXLDXXBW-ZFWWWQNUSA-N 2 2 346.475 2.021 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]Cc3coc(C4CC4)n3)CC2)CC[N@H+]1C ZINC001439640003 1092563996 /nfs/dbraw/zinc/56/39/96/1092563996.db2.gz NXONIRZXLDXXBW-ZFWWWQNUSA-N 2 2 346.475 2.021 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1cccc(F)c1)C1CCCC1 ZINC001439813522 1092782270 /nfs/dbraw/zinc/78/22/70/1092782270.db2.gz LITCARYMBFICBE-SFHVURJKSA-N 2 2 344.434 2.487 10 0 EEAELP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001439950382 1093067398 /nfs/dbraw/zinc/06/73/98/1093067398.db2.gz QOOVTNJDWGJRMA-MRXNPFEDSA-N 2 2 340.418 2.147 10 0 EEAELP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001439950382 1093067407 /nfs/dbraw/zinc/06/74/07/1093067407.db2.gz QOOVTNJDWGJRMA-MRXNPFEDSA-N 2 2 340.418 2.147 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H]2[C@H]3C[N@H+](CCC[C@H](C)O)C[C@H]32)c(C)[nH+]1 ZINC001448429453 1093441347 /nfs/dbraw/zinc/44/13/47/1093441347.db2.gz ADEYMYNQSMCYMY-LEUOFYLZSA-N 2 2 345.487 2.075 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC[C@H](C)O)C[C@H]32)c(C)[nH+]1 ZINC001448429453 1093441350 /nfs/dbraw/zinc/44/13/50/1093441350.db2.gz ADEYMYNQSMCYMY-LEUOFYLZSA-N 2 2 345.487 2.075 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)[C@@H]1C)[NH+](C)C ZINC001440488898 1093724196 /nfs/dbraw/zinc/72/41/96/1093724196.db2.gz JWHRSVQJYOUTEL-OAUYIBNBSA-N 2 2 339.430 2.384 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)[C@@H]1C)[NH+](C)C ZINC001440488898 1093724199 /nfs/dbraw/zinc/72/41/99/1093724199.db2.gz JWHRSVQJYOUTEL-OAUYIBNBSA-N 2 2 339.430 2.384 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001440489532 1093724258 /nfs/dbraw/zinc/72/42/58/1093724258.db2.gz MFLAYKKYXBOIMC-IPYPFGDCSA-N 2 2 340.418 2.357 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC001440489532 1093724261 /nfs/dbraw/zinc/72/42/61/1093724261.db2.gz MFLAYKKYXBOIMC-IPYPFGDCSA-N 2 2 340.418 2.357 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001440489532 1093724264 /nfs/dbraw/zinc/72/42/64/1093724264.db2.gz MFLAYKKYXBOIMC-IPYPFGDCSA-N 2 2 340.418 2.357 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC001440489532 1093724267 /nfs/dbraw/zinc/72/42/67/1093724267.db2.gz MFLAYKKYXBOIMC-IPYPFGDCSA-N 2 2 340.418 2.357 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc2nccs2)c[nH+]1 ZINC001448675049 1093741311 /nfs/dbraw/zinc/74/13/11/1093741311.db2.gz DDAROBDQCDGCCB-GFCCVEGCSA-N 2 2 335.477 2.020 10 0 EEAELP C[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](CCF)CC1(C)C)c1ccccc1 ZINC001440622440 1093891241 /nfs/dbraw/zinc/89/12/41/1093891241.db2.gz OERNAYZVKVFVCA-SJORKVTESA-N 2 2 335.467 2.476 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)co1 ZINC001440625506 1093893818 /nfs/dbraw/zinc/89/38/18/1093893818.db2.gz JYHRGNNOYOIYSG-MRXNPFEDSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)co1 ZINC001440625506 1093893821 /nfs/dbraw/zinc/89/38/21/1093893821.db2.gz JYHRGNNOYOIYSG-MRXNPFEDSA-N 2 2 348.491 2.184 10 0 EEAELP C[N@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1nccs1)CC2)C1CCC1 ZINC001449030218 1094039682 /nfs/dbraw/zinc/03/96/82/1094039682.db2.gz KNXYYSVXLGVCAB-MAUKXSAKSA-N 2 2 348.516 2.241 10 0 EEAELP C[N@@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](Cc1nccs1)CC2)C1CCC1 ZINC001449030218 1094039688 /nfs/dbraw/zinc/03/96/88/1094039688.db2.gz KNXYYSVXLGVCAB-MAUKXSAKSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1nccs1)CC2)C1CCC1 ZINC001449030218 1094039691 /nfs/dbraw/zinc/03/96/91/1094039691.db2.gz KNXYYSVXLGVCAB-MAUKXSAKSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1nccs1)CC2)C1CCC1 ZINC001449030218 1094039700 /nfs/dbraw/zinc/03/97/00/1094039700.db2.gz KNXYYSVXLGVCAB-MAUKXSAKSA-N 2 2 348.516 2.241 10 0 EEAELP Cc1cncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn2cc[nH+]c2)c1 ZINC001440845202 1094102492 /nfs/dbraw/zinc/10/24/92/1094102492.db2.gz BTLSIQVGJGFSKG-JKSUJKDBSA-N 2 2 329.448 2.050 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)Cc1ccsc1 ZINC001440949751 1094203316 /nfs/dbraw/zinc/20/33/16/1094203316.db2.gz ZDMXZXODVFVQCV-ZFWWWQNUSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)Cc1ccsc1 ZINC001440949751 1094203319 /nfs/dbraw/zinc/20/33/19/1094203319.db2.gz ZDMXZXODVFVQCV-ZFWWWQNUSA-N 2 2 332.473 2.144 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CC3CCC4(CC4)CC3)C[C@H]21 ZINC001441323882 1094780308 /nfs/dbraw/zinc/78/03/08/1094780308.db2.gz QFDQIQBTRMKBKS-NNZMDNLPSA-N 2 2 342.487 2.148 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CC3CCC4(CC4)CC3)C[C@H]21 ZINC001441323882 1094780315 /nfs/dbraw/zinc/78/03/15/1094780315.db2.gz QFDQIQBTRMKBKS-NNZMDNLPSA-N 2 2 342.487 2.148 10 0 EEAELP Cc1nc(C[NH2+][C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c(C)s1 ZINC001441412161 1094992854 /nfs/dbraw/zinc/99/28/54/1094992854.db2.gz AETYGOUIGYNLFZ-OAHLLOKOSA-N 2 2 349.504 2.346 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2Cl)C1 ZINC001441496789 1095178538 /nfs/dbraw/zinc/17/85/38/1095178538.db2.gz MFHBEQZUBMZQJH-GASCZTMLSA-N 2 2 346.862 2.443 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001441649656 1095602611 /nfs/dbraw/zinc/60/26/11/1095602611.db2.gz SQNNYUFXEQYGDV-MSOLQXFVSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC001441649656 1095602616 /nfs/dbraw/zinc/60/26/16/1095602616.db2.gz SQNNYUFXEQYGDV-MSOLQXFVSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C2CC[NH+](C/C=C\Cl)CC2)CC1 ZINC001442274092 1096582091 /nfs/dbraw/zinc/58/20/91/1096582091.db2.gz BMYXGRCCBZCEAS-XFSBKJJWSA-N 2 2 336.867 2.387 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1c(F)cccc1F ZINC001442340119 1096662302 /nfs/dbraw/zinc/66/23/02/1096662302.db2.gz UKADBONYYNCQDF-CHWSQXEVSA-N 2 2 336.386 2.407 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001442852405 1097245505 /nfs/dbraw/zinc/24/55/05/1097245505.db2.gz WTIQETARFGJACD-INIZCTEOSA-N 2 2 330.407 2.111 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001442852405 1097245508 /nfs/dbraw/zinc/24/55/08/1097245508.db2.gz WTIQETARFGJACD-INIZCTEOSA-N 2 2 330.407 2.111 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001442900638 1097301840 /nfs/dbraw/zinc/30/18/40/1097301840.db2.gz CCEFZXGRKWNYAQ-LSDHHAIUSA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001442900638 1097301847 /nfs/dbraw/zinc/30/18/47/1097301847.db2.gz CCEFZXGRKWNYAQ-LSDHHAIUSA-N 2 2 340.418 2.147 10 0 EEAELP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccon2)C1 ZINC001443185819 1097627665 /nfs/dbraw/zinc/62/76/65/1097627665.db2.gz UYIJYKWTKRNUES-MSOLQXFVSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001443185819 1097627667 /nfs/dbraw/zinc/62/76/67/1097627667.db2.gz UYIJYKWTKRNUES-MSOLQXFVSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001443185819 1097627668 /nfs/dbraw/zinc/62/76/68/1097627668.db2.gz UYIJYKWTKRNUES-MSOLQXFVSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccon2)C1 ZINC001443185819 1097627669 /nfs/dbraw/zinc/62/76/69/1097627669.db2.gz UYIJYKWTKRNUES-MSOLQXFVSA-N 2 2 348.491 2.362 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC(NC(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001443484960 1097982127 /nfs/dbraw/zinc/98/21/27/1097982127.db2.gz ZBRIVJVYGJMXEJ-AWEZNQCLSA-N 2 2 331.460 2.041 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC(NC(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001443484960 1097982132 /nfs/dbraw/zinc/98/21/32/1097982132.db2.gz ZBRIVJVYGJMXEJ-AWEZNQCLSA-N 2 2 331.460 2.041 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001443883898 1098410673 /nfs/dbraw/zinc/41/06/73/1098410673.db2.gz VGGKYTLWISUGDC-LJQANCHMSA-N 2 2 340.471 2.439 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001443883898 1098410675 /nfs/dbraw/zinc/41/06/75/1098410675.db2.gz VGGKYTLWISUGDC-LJQANCHMSA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CCC(C)C ZINC001443927843 1098447374 /nfs/dbraw/zinc/44/73/74/1098447374.db2.gz CLNZNTWSQWZFJD-YOEHRIQHSA-N 2 2 335.496 2.321 10 0 EEAELP CC[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CCC(C)C ZINC001443927843 1098447378 /nfs/dbraw/zinc/44/73/78/1098447378.db2.gz CLNZNTWSQWZFJD-YOEHRIQHSA-N 2 2 335.496 2.321 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(C)cc1 ZINC001443947004 1098466609 /nfs/dbraw/zinc/46/66/09/1098466609.db2.gz CRRBEPBKZHMHHQ-QZTJIDSGSA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cncc(F)c1 ZINC001444010334 1098526919 /nfs/dbraw/zinc/52/69/19/1098526919.db2.gz PHQURQGDDCPUNE-XJKSGUPXSA-N 2 2 333.411 2.053 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]Cc1cscn1 ZINC001479520852 1098587781 /nfs/dbraw/zinc/58/77/81/1098587781.db2.gz DSWSYKWVTXDNHA-CZUORRHYSA-N 2 2 347.488 2.216 10 0 EEAELP C[C@@](C[NH2+]CC1CCC1)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001444137670 1098677096 /nfs/dbraw/zinc/67/70/96/1098677096.db2.gz WBZOURWWGJHDMJ-BEFAXECRSA-N 2 2 330.476 2.120 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1Cc1ccc(F)cc1 ZINC001479713229 1098792745 /nfs/dbraw/zinc/79/27/45/1098792745.db2.gz LFJWURZRQWVCMS-PBHICJAKSA-N 2 2 344.434 2.271 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1Cc1ccc(F)cc1 ZINC001479713229 1098792754 /nfs/dbraw/zinc/79/27/54/1098792754.db2.gz LFJWURZRQWVCMS-PBHICJAKSA-N 2 2 344.434 2.271 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001444317955 1098879891 /nfs/dbraw/zinc/87/98/91/1098879891.db2.gz GLEAJNOHVPHJKJ-CHWSQXEVSA-N 2 2 328.407 2.120 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001444317955 1098879899 /nfs/dbraw/zinc/87/98/99/1098879899.db2.gz GLEAJNOHVPHJKJ-CHWSQXEVSA-N 2 2 328.407 2.120 10 0 EEAELP CC(C)CCC[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001444448438 1099089559 /nfs/dbraw/zinc/08/95/59/1099089559.db2.gz OFRUDMBVCNIWQL-INIZCTEOSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)CCC[N@H+]1CCO[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001444448438 1099089574 /nfs/dbraw/zinc/08/95/74/1099089574.db2.gz OFRUDMBVCNIWQL-INIZCTEOSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1csc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001444674582 1099516279 /nfs/dbraw/zinc/51/62/79/1099516279.db2.gz BHHROBNQPISXJF-UONOGXRCSA-N 2 2 335.477 2.236 10 0 EEAELP CC(C)CCC[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001480030302 1099518699 /nfs/dbraw/zinc/51/86/99/1099518699.db2.gz LFLOXBNBGPDLNU-DLBZAZTESA-N 2 2 332.492 2.366 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC001444707320 1099564313 /nfs/dbraw/zinc/56/43/13/1099564313.db2.gz JWXJXJLWBFMQKJ-AWEZNQCLSA-N 2 2 344.459 2.333 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)Cc1ccc(F)cc1F ZINC001445008881 1100150841 /nfs/dbraw/zinc/15/08/41/1100150841.db2.gz WYQCOXXYXMHBCK-UHFFFAOYSA-N 2 2 336.386 2.060 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)Cc1ccc(F)cc1F ZINC001445008881 1100150847 /nfs/dbraw/zinc/15/08/47/1100150847.db2.gz WYQCOXXYXMHBCK-UHFFFAOYSA-N 2 2 336.386 2.060 10 0 EEAELP Cc1ccc(CC[NH2+][C@@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001480490811 1100302654 /nfs/dbraw/zinc/30/26/54/1100302654.db2.gz SUZKKDKVAZOLKQ-FUHWJXTLSA-N 2 2 340.471 2.091 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001495119680 1100777968 /nfs/dbraw/zinc/77/79/68/1100777968.db2.gz ZXPZXTIRNVQPNO-NVXWUHKLSA-N 2 2 330.407 2.194 10 0 EEAELP CC[C@@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001495371348 1101086647 /nfs/dbraw/zinc/08/66/47/1101086647.db2.gz KHRKGEXXAZMHHP-JKSUJKDBSA-N 2 2 338.471 2.319 10 0 EEAELP CC(C)[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001446729681 1101304629 /nfs/dbraw/zinc/30/46/29/1101304629.db2.gz VIFDKPCKSZDXIR-KBPBESRZSA-N 2 2 328.407 2.316 10 0 EEAELP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496091191 1102039505 /nfs/dbraw/zinc/03/95/05/1102039505.db2.gz AXSWJVUSDOBXLT-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001497218983 1102142360 /nfs/dbraw/zinc/14/23/60/1102142360.db2.gz XSEQODYSKHCISP-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001497218982 1102142716 /nfs/dbraw/zinc/14/27/16/1102142716.db2.gz XSEQODYSKHCISP-FUHWJXTLSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001497281260 1102247522 /nfs/dbraw/zinc/24/75/22/1102247522.db2.gz BLNDBNHZIYXULH-QWHCGFSZSA-N 2 2 333.436 2.124 10 0 EEAELP C[C@@H](CC[NH2+][C@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497296883 1102272346 /nfs/dbraw/zinc/27/23/46/1102272346.db2.gz HRYCVIGQTNUTBV-ZBEGNZNMSA-N 2 2 348.397 2.402 10 0 EEAELP C[C@@H](CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497296880 1102272793 /nfs/dbraw/zinc/27/27/93/1102272793.db2.gz HRYCVIGQTNUTBV-MEDUHNTESA-N 2 2 348.397 2.402 10 0 EEAELP C[C@H](CC[NH2+]Cc1nsc2ccccc12)NC(=O)Cn1cc[nH+]c1 ZINC001497337107 1102347864 /nfs/dbraw/zinc/34/78/64/1102347864.db2.gz ODTBQBMOSSGYCZ-CYBMUJFWSA-N 2 2 343.456 2.177 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)CC1CC[NH+](C)CC1 ZINC001497464823 1102532042 /nfs/dbraw/zinc/53/20/42/1102532042.db2.gz SLENDHLQROZNDG-UHFFFAOYSA-N 2 2 348.491 2.222 10 0 EEAELP Cc1ncc(C[NH2+]C/C=C\CNC(=O)c2sccc2C[NH+](C)C)o1 ZINC001497602251 1102732061 /nfs/dbraw/zinc/73/20/61/1102732061.db2.gz WVINEXIFTYUJPS-PLNGDYQASA-N 2 2 348.472 2.182 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)C[C@H](C)n2cc[nH+]c2)sc1C ZINC001497694752 1102919093 /nfs/dbraw/zinc/91/90/93/1102919093.db2.gz WEFMXZDKWGWVRR-IHVVCDCBSA-N 2 2 347.488 2.370 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001497715515 1102956232 /nfs/dbraw/zinc/95/62/32/1102956232.db2.gz UJRXWALALFMIDC-PYKQWIPUSA-N 2 2 346.381 2.180 10 0 EEAELP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001493979439 1103250414 /nfs/dbraw/zinc/25/04/14/1103250414.db2.gz YUFLUAMELFIWLF-JKSUJKDBSA-N 2 2 348.491 2.002 10 0 EEAELP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001493979439 1103250426 /nfs/dbraw/zinc/25/04/26/1103250426.db2.gz YUFLUAMELFIWLF-JKSUJKDBSA-N 2 2 348.491 2.002 10 0 EEAELP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(CC)o2)C1 ZINC001493979439 1103250442 /nfs/dbraw/zinc/25/04/42/1103250442.db2.gz YUFLUAMELFIWLF-JKSUJKDBSA-N 2 2 348.491 2.002 10 0 EEAELP CCCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ncc(CC)o2)C1 ZINC001493979439 1103250452 /nfs/dbraw/zinc/25/04/52/1103250452.db2.gz YUFLUAMELFIWLF-JKSUJKDBSA-N 2 2 348.491 2.002 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001494870060 1104479924 /nfs/dbraw/zinc/47/99/24/1104479924.db2.gz YZBQTNRUVWOXKJ-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001494870060 1104479926 /nfs/dbraw/zinc/47/99/26/1104479926.db2.gz YZBQTNRUVWOXKJ-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(F)cc1 ZINC001495010663 1104653780 /nfs/dbraw/zinc/65/37/80/1104653780.db2.gz CFSDLNZHNTZXSF-WBVHZDCISA-N 2 2 344.434 2.269 10 0 EEAELP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]Cc1c(F)cccc1F ZINC001495025959 1104667994 /nfs/dbraw/zinc/66/79/94/1104667994.db2.gz XODPEIAZXWNIQC-CYBMUJFWSA-N 2 2 336.386 2.154 10 0 EEAELP CC(C)COCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001498337242 1107322873 /nfs/dbraw/zinc/32/28/73/1107322873.db2.gz HHXXIVYDMGWXCB-OAHLLOKOSA-N 2 2 332.448 2.057 10 0 EEAELP CC(C)COCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001498337242 1107322885 /nfs/dbraw/zinc/32/28/85/1107322885.db2.gz HHXXIVYDMGWXCB-OAHLLOKOSA-N 2 2 332.448 2.057 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001493250995 1107772959 /nfs/dbraw/zinc/77/29/59/1107772959.db2.gz RRLVKZPNNCBVQK-HNNXBMFYSA-N 2 2 337.427 2.072 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001493250995 1107772974 /nfs/dbraw/zinc/77/29/74/1107772974.db2.gz RRLVKZPNNCBVQK-HNNXBMFYSA-N 2 2 337.427 2.072 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001498782227 1108091917 /nfs/dbraw/zinc/09/19/17/1108091917.db2.gz SGWZDOMSKASEEU-WBVHZDCISA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001493603431 1108387173 /nfs/dbraw/zinc/38/71/73/1108387173.db2.gz OXAURGIXABNZLS-GOSISDBHSA-N 2 2 340.471 2.311 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1C ZINC001493604207 1108390007 /nfs/dbraw/zinc/39/00/07/1108390007.db2.gz SNZGBZQHTYGOSY-SFHVURJKSA-N 2 2 340.471 2.311 10 0 EEAELP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)Cc1c[nH+]cn1C ZINC001493763502 1108638756 /nfs/dbraw/zinc/63/87/56/1108638756.db2.gz MHFGSUPHTQIVDD-QGZVFWFLSA-N 2 2 340.471 2.131 10 0 EEAELP O=C(Nc1ccc2c[nH+]cn2c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001456443850 1109178834 /nfs/dbraw/zinc/17/88/34/1109178834.db2.gz FJFKWSIQSHLQBY-SFHVURJKSA-N 2 2 336.395 2.174 10 0 EEAELP O=C(Nc1ccc2c[nH+]cn2c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001456443850 1109178837 /nfs/dbraw/zinc/17/88/37/1109178837.db2.gz FJFKWSIQSHLQBY-SFHVURJKSA-N 2 2 336.395 2.174 10 0 EEAELP CC[C@H]1CCCC[C@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001470349977 1110505168 /nfs/dbraw/zinc/50/51/68/1110505168.db2.gz ABKWTNDITDXWPH-IRXDYDNUSA-N 2 2 326.529 2.386 10 0 EEAELP CC[C@H]1CCCC[C@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001470349977 1110505170 /nfs/dbraw/zinc/50/51/70/1110505170.db2.gz ABKWTNDITDXWPH-IRXDYDNUSA-N 2 2 326.529 2.386 10 0 EEAELP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001472957599 1110568514 /nfs/dbraw/zinc/56/85/14/1110568514.db2.gz AOCSFWJYZDKHAC-DHBDYNCWSA-N 2 2 339.483 2.186 10 0 EEAELP CCOCC[NH+]1CCC2(CCN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001499590060 1112392048 /nfs/dbraw/zinc/39/20/48/1112392048.db2.gz PCRPFKGAHBAWPK-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1C[NH2+]CCCCCF ZINC001499905439 1112535923 /nfs/dbraw/zinc/53/59/23/1112535923.db2.gz PCNDYBWYLTUWIC-WBVHZDCISA-N 2 2 336.455 2.166 10 0 EEAELP Cc1cncc(C[NH2+]CC2CC(NC(=O)CCCn3cc[nH+]c3)C2)c1 ZINC001505539434 1114039953 /nfs/dbraw/zinc/03/99/53/1114039953.db2.gz HZNMBXBRZBCXBR-UHFFFAOYSA-N 2 2 341.459 2.051 10 0 EEAELP COCCC[NH2+]C1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001505786308 1114191775 /nfs/dbraw/zinc/19/17/75/1114191775.db2.gz SDGOOPAUIOGZCM-KLAILNCOSA-N 2 2 336.480 2.230 10 0 EEAELP CC(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001506726829 1114837329 /nfs/dbraw/zinc/83/73/29/1114837329.db2.gz USVDOUNSWJNLDM-IBGZPJMESA-N 2 2 348.491 2.013 10 0 EEAELP CC(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001506726829 1114837332 /nfs/dbraw/zinc/83/73/32/1114837332.db2.gz USVDOUNSWJNLDM-IBGZPJMESA-N 2 2 348.491 2.013 10 0 EEAELP CO[C@H](C)C[NH2+]CCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001506924954 1114977553 /nfs/dbraw/zinc/97/75/53/1114977553.db2.gz ZNNKLAXHASQRNT-UKRRQHHQSA-N 2 2 332.448 2.166 10 0 EEAELP CCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001567863581 1124146276 /nfs/dbraw/zinc/14/62/76/1124146276.db2.gz GMHFISZSRYYJDY-FHWLQOOXSA-N 2 2 345.487 2.001 10 0 EEAELP CCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001567863581 1124146278 /nfs/dbraw/zinc/14/62/78/1124146278.db2.gz GMHFISZSRYYJDY-FHWLQOOXSA-N 2 2 345.487 2.001 10 0 EEAELP CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001567863581 1124146281 /nfs/dbraw/zinc/14/62/81/1124146281.db2.gz GMHFISZSRYYJDY-FHWLQOOXSA-N 2 2 345.487 2.001 10 0 EEAELP CCOCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC001567863581 1124146282 /nfs/dbraw/zinc/14/62/82/1124146282.db2.gz GMHFISZSRYYJDY-FHWLQOOXSA-N 2 2 345.487 2.001 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001568061308 1124267286 /nfs/dbraw/zinc/26/72/86/1124267286.db2.gz FFGQJSQDFWDGIG-ZWKOTPCHSA-N 2 2 344.503 2.464 10 0 EEAELP CC(C)C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001568336032 1124424680 /nfs/dbraw/zinc/42/46/80/1124424680.db2.gz LQBLPWFNAQQHEY-HNNXBMFYSA-N 2 2 349.866 2.321 10 0 EEAELP CCOCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1C ZINC001568353838 1124433112 /nfs/dbraw/zinc/43/31/12/1124433112.db2.gz HQNDLGDTEXVHHM-RHSMWYFYSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001568649275 1124661607 /nfs/dbraw/zinc/66/16/07/1124661607.db2.gz KPLYMPFVBLXMBX-IRXDYDNUSA-N 2 2 340.471 2.439 10 0 EEAELP COc1cccc(C[NH2+]CC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c1C ZINC001568703811 1124720333 /nfs/dbraw/zinc/72/03/33/1124720333.db2.gz VSXGCOBBSYHUPJ-CYBMUJFWSA-N 2 2 344.459 2.262 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC/C=C\C[NH2+]Cc1cc(F)ccc1F ZINC001568958188 1124994293 /nfs/dbraw/zinc/99/42/93/1124994293.db2.gz LMJOFDFZSQQPNT-IHWYPQMZSA-N 2 2 348.397 2.093 10 0 EEAELP CN1C(=O)CCc2cc(C[NH2+]Cc3cccnc3-n3cc[nH+]c3)ccc21 ZINC000187118300 530043112 /nfs/dbraw/zinc/04/31/12/530043112.db2.gz DJXJJTCWPVUTKI-UHFFFAOYSA-N 2 2 347.422 2.466 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)c1 ZINC000415961488 239023722 /nfs/dbraw/zinc/02/37/22/239023722.db2.gz DFCGDTJAEIUMCK-UHFFFAOYSA-N 2 2 341.337 2.262 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+]2CCC3(CC[NH2+]3)CC2)C2CC2)cc1 ZINC000422633037 240165739 /nfs/dbraw/zinc/16/57/39/240165739.db2.gz HVOQBXHANYEUJN-UHFFFAOYSA-N 2 2 327.472 2.314 10 0 EEAELP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422733684 240198616 /nfs/dbraw/zinc/19/86/16/240198616.db2.gz BTPGYWBYDBVPLE-XWPNQZOQSA-N 2 2 329.488 2.179 10 0 EEAELP Fc1cccc(N2CCC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422755258 240208780 /nfs/dbraw/zinc/20/87/80/240208780.db2.gz GNEIIXAEFVTJPY-QXAKKESOSA-N 2 2 333.451 2.151 10 0 EEAELP CCOc1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OCC ZINC000422761436 240211912 /nfs/dbraw/zinc/21/19/12/240211912.db2.gz MNUZCMSXQJRLLR-PMACEKPBSA-N 2 2 348.487 2.383 10 0 EEAELP FC(F)(F)c1cccc(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422947835 240303480 /nfs/dbraw/zinc/30/34/80/240303480.db2.gz QLXLOPOPQZWORU-JKSUJKDBSA-N 2 2 344.377 2.441 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCN2CCCCC2=O)[C@H]2CCC[NH2+]2)cc1 ZINC000422864535 240263265 /nfs/dbraw/zinc/26/32/65/240263265.db2.gz VDQNJIFHJAPMHF-UYAOXDASSA-N 2 2 345.487 2.481 10 0 EEAELP COCCCOc1cc(C)ccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422865879 240264899 /nfs/dbraw/zinc/26/48/99/240264899.db2.gz PRQGPZTVSVZPNC-VQTJNVASSA-N 2 2 348.487 2.267 10 0 EEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000459345027 245087291 /nfs/dbraw/zinc/08/72/91/245087291.db2.gz CMKSPOMUGUBCDN-HNNXBMFYSA-N 2 2 327.432 2.017 10 0 EEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CCc3c[nH+]cn3C)C2)n1 ZINC000459345027 245087298 /nfs/dbraw/zinc/08/72/98/245087298.db2.gz CMKSPOMUGUBCDN-HNNXBMFYSA-N 2 2 327.432 2.017 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459396087 245103332 /nfs/dbraw/zinc/10/33/32/245103332.db2.gz BTJUGXMDBXJUIK-CYBMUJFWSA-N 2 2 343.265 2.355 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459396087 245103340 /nfs/dbraw/zinc/10/33/40/245103340.db2.gz BTJUGXMDBXJUIK-CYBMUJFWSA-N 2 2 343.265 2.355 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2cnc3ccc(Br)cn23)c1 ZINC000459652510 245198175 /nfs/dbraw/zinc/19/81/75/245198175.db2.gz CBMMCTRJZNMLRD-UHFFFAOYSA-N 2 2 334.221 2.163 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246503503 205206105 /nfs/dbraw/zinc/20/61/05/205206105.db2.gz SSJZFZOLQOWLED-ROUUACIJSA-N 2 2 347.507 2.425 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246503503 205206109 /nfs/dbraw/zinc/20/61/09/205206109.db2.gz SSJZFZOLQOWLED-ROUUACIJSA-N 2 2 347.507 2.425 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC(C)C)C1 ZINC000195252301 256008608 /nfs/dbraw/zinc/00/86/08/256008608.db2.gz SNFIPKHVYXBIOH-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NC(C)C)C1 ZINC000195252301 256008609 /nfs/dbraw/zinc/00/86/09/256008609.db2.gz SNFIPKHVYXBIOH-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(C)C)C1 ZINC000195252301 256008611 /nfs/dbraw/zinc/00/86/11/256008611.db2.gz SNFIPKHVYXBIOH-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(C)C)C1 ZINC000195252301 256008613 /nfs/dbraw/zinc/00/86/13/256008613.db2.gz SNFIPKHVYXBIOH-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267658 256008735 /nfs/dbraw/zinc/00/87/35/256008735.db2.gz PIFQUAQSGOJCBO-HNNXBMFYSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(C)C(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195267658 256008736 /nfs/dbraw/zinc/00/87/36/256008736.db2.gz PIFQUAQSGOJCBO-HNNXBMFYSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(C)C(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195267658 256008737 /nfs/dbraw/zinc/00/87/37/256008737.db2.gz PIFQUAQSGOJCBO-HNNXBMFYSA-N 2 2 338.521 2.074 10 0 EEAELP CCN(C)C(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195267658 256008738 /nfs/dbraw/zinc/00/87/38/256008738.db2.gz PIFQUAQSGOJCBO-HNNXBMFYSA-N 2 2 338.521 2.074 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000270311767 256122267 /nfs/dbraw/zinc/12/22/67/256122267.db2.gz VKJRNJVANVAPSW-OIISXLGYSA-N 2 2 327.432 2.016 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000270311767 256122268 /nfs/dbraw/zinc/12/22/68/256122268.db2.gz VKJRNJVANVAPSW-OIISXLGYSA-N 2 2 327.432 2.016 10 0 EEAELP COC(=O)CCn1nc(C)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000271179510 256216535 /nfs/dbraw/zinc/21/65/35/256216535.db2.gz HIOYWLVTIZRDED-UHFFFAOYSA-N 2 2 345.447 2.166 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000271294043 256230733 /nfs/dbraw/zinc/23/07/33/256230733.db2.gz GMNHGSYOAVHAFS-HZPDHXFCSA-N 2 2 341.459 2.365 10 0 EEAELP Oc1cccnc1C[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000328597419 258041911 /nfs/dbraw/zinc/04/19/11/258041911.db2.gz GYLZDPNRRCPZKP-HNNXBMFYSA-N 2 2 340.427 2.436 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(CO)o2)[C@@H]1c1cnn(C)c1 ZINC000328653466 258020242 /nfs/dbraw/zinc/02/02/42/258020242.db2.gz WWIVKNGLAIIRRM-HNAYVOBHSA-N 2 2 346.475 2.410 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(CO)o2)[C@@H]1c1cnn(C)c1 ZINC000328653466 258020244 /nfs/dbraw/zinc/02/02/44/258020244.db2.gz WWIVKNGLAIIRRM-HNAYVOBHSA-N 2 2 346.475 2.410 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(CO)o2)[C@@H]1c1cnn(C)c1 ZINC000328653466 258020246 /nfs/dbraw/zinc/02/02/46/258020246.db2.gz WWIVKNGLAIIRRM-HNAYVOBHSA-N 2 2 346.475 2.410 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2ccc(CO)o2)[C@@H]1c1cnn(C)c1 ZINC000328653466 258020247 /nfs/dbraw/zinc/02/02/47/258020247.db2.gz WWIVKNGLAIIRRM-HNAYVOBHSA-N 2 2 346.475 2.410 10 0 EEAELP C[C@@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262422573 152279649 /nfs/dbraw/zinc/27/96/49/152279649.db2.gz RXFVFJZVBOYETH-QLFBSQMISA-N 2 2 331.460 2.090 10 0 EEAELP C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262422573 152279654 /nfs/dbraw/zinc/27/96/54/152279654.db2.gz RXFVFJZVBOYETH-QLFBSQMISA-N 2 2 331.460 2.090 10 0 EEAELP COc1ccc([C@@H](NCC[N@@H+]2CCOCC2(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422702479 286359251 /nfs/dbraw/zinc/35/92/51/286359251.db2.gz FFIAFOLCNJSZEO-RBUKOAKNSA-N 2 2 347.503 2.189 10 0 EEAELP COc1ccc([C@@H](NCC[N@H+]2CCOCC2(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422702479 286359252 /nfs/dbraw/zinc/35/92/52/286359252.db2.gz FFIAFOLCNJSZEO-RBUKOAKNSA-N 2 2 347.503 2.189 10 0 EEAELP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C2CCCCC2)[nH]n1 ZINC000130280510 292370798 /nfs/dbraw/zinc/37/07/98/292370798.db2.gz BABHCBTYIZZRBS-UHFFFAOYSA-N 2 2 335.496 2.023 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cccc4c3OCCO4)CC2)CCO1 ZINC000101726947 159256432 /nfs/dbraw/zinc/25/64/32/159256432.db2.gz YUCPEJVJGPIHSC-OAHLLOKOSA-N 2 2 332.444 2.143 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cccc4c3OCCO4)CC2)CCO1 ZINC000101726947 159256433 /nfs/dbraw/zinc/25/64/33/159256433.db2.gz YUCPEJVJGPIHSC-OAHLLOKOSA-N 2 2 332.444 2.143 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000192007859 160165168 /nfs/dbraw/zinc/16/51/68/160165168.db2.gz MXGDDUVSLVSNGM-LJQANCHMSA-N 2 2 337.427 2.278 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H](Cn2cccn2)C1 ZINC000192007859 160165169 /nfs/dbraw/zinc/16/51/69/160165169.db2.gz MXGDDUVSLVSNGM-LJQANCHMSA-N 2 2 337.427 2.278 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245444027 160236207 /nfs/dbraw/zinc/23/62/07/160236207.db2.gz XRHYJKZEGCLZEG-KBXCAEBGSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245444027 160236209 /nfs/dbraw/zinc/23/62/09/160236209.db2.gz XRHYJKZEGCLZEG-KBXCAEBGSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245444027 160236213 /nfs/dbraw/zinc/23/62/13/160236213.db2.gz XRHYJKZEGCLZEG-KBXCAEBGSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245444027 160236214 /nfs/dbraw/zinc/23/62/14/160236214.db2.gz XRHYJKZEGCLZEG-KBXCAEBGSA-N 2 2 349.475 2.304 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000247529457 160327660 /nfs/dbraw/zinc/32/76/60/160327660.db2.gz ZRPANIJXFFVSMD-JTDSTZFVSA-N 2 2 329.488 2.278 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000247529457 160327661 /nfs/dbraw/zinc/32/76/61/160327661.db2.gz ZRPANIJXFFVSMD-JTDSTZFVSA-N 2 2 329.488 2.278 10 0 EEAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000247529457 160327663 /nfs/dbraw/zinc/32/76/63/160327663.db2.gz ZRPANIJXFFVSMD-JTDSTZFVSA-N 2 2 329.488 2.278 10 0 EEAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000247529457 160327664 /nfs/dbraw/zinc/32/76/64/160327664.db2.gz ZRPANIJXFFVSMD-JTDSTZFVSA-N 2 2 329.488 2.278 10 0 EEAELP COCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000342137729 161042740 /nfs/dbraw/zinc/04/27/40/161042740.db2.gz WQJLWUHPVWLFAL-PMACEKPBSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[N@@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000342137729 161042741 /nfs/dbraw/zinc/04/27/41/161042741.db2.gz WQJLWUHPVWLFAL-PMACEKPBSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000342137729 161042742 /nfs/dbraw/zinc/04/27/42/161042742.db2.gz WQJLWUHPVWLFAL-PMACEKPBSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@H]1CCOC1 ZINC000342137729 161042743 /nfs/dbraw/zinc/04/27/43/161042743.db2.gz WQJLWUHPVWLFAL-PMACEKPBSA-N 2 2 348.487 2.015 10 0 EEAELP C[C@@H]1C[N@H+](CCc2cccc(F)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343722408 161162098 /nfs/dbraw/zinc/16/20/98/161162098.db2.gz FEOIICNZJNTJJI-QAPCUYQASA-N 2 2 337.458 2.465 10 0 EEAELP C[C@@H]1C[N@@H+](CCc2cccc(F)c2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343722408 161162099 /nfs/dbraw/zinc/16/20/99/161162099.db2.gz FEOIICNZJNTJJI-QAPCUYQASA-N 2 2 337.458 2.465 10 0 EEAELP O=C(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)NCc1cccnc1 ZINC000344104588 161198997 /nfs/dbraw/zinc/19/89/97/161198997.db2.gz GRPVNZZYZYNJCJ-UHFFFAOYSA-N 2 2 341.440 2.125 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@H]2CCC(C)(C)O2)([NH+]2CCCCC2)CC1 ZINC000346116490 161358439 /nfs/dbraw/zinc/35/84/39/161358439.db2.gz RHWALBUAPAXHOU-MRXNPFEDSA-N 2 2 337.508 2.011 10 0 EEAELP COc1ccc(OC)c(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000355659477 163262600 /nfs/dbraw/zinc/26/26/00/163262600.db2.gz ZCBFXKARNKEKPG-UHFFFAOYSA-N 2 2 343.427 2.430 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4ncccc43)C2)CC1 ZINC000369266969 166223519 /nfs/dbraw/zinc/22/35/19/166223519.db2.gz NUDGVESRTBOAAZ-HNNXBMFYSA-N 2 2 338.455 2.133 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4ncccc43)C2)CC1 ZINC000369266969 166223521 /nfs/dbraw/zinc/22/35/21/166223521.db2.gz NUDGVESRTBOAAZ-HNNXBMFYSA-N 2 2 338.455 2.133 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)c3ccccc3F)C2)CC1 ZINC000369276958 166227374 /nfs/dbraw/zinc/22/73/74/166227374.db2.gz JOYRVZXSHRINQD-HNNXBMFYSA-N 2 2 347.478 2.388 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)c3ccccc3F)C2)CC1 ZINC000369276958 166227375 /nfs/dbraw/zinc/22/73/75/166227375.db2.gz JOYRVZXSHRINQD-HNNXBMFYSA-N 2 2 347.478 2.388 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375165892 167081453 /nfs/dbraw/zinc/08/14/53/167081453.db2.gz GXVDKTOPMVVOLG-UHFFFAOYSA-N 2 2 341.459 2.224 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)C2 ZINC000376625101 167363030 /nfs/dbraw/zinc/36/30/30/167363030.db2.gz CYJIJZPXKLXIAF-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)CC2 ZINC000376625101 167363031 /nfs/dbraw/zinc/36/30/31/167363031.db2.gz CYJIJZPXKLXIAF-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000358577435 276113487 /nfs/dbraw/zinc/11/34/87/276113487.db2.gz LQASTDDGIGNKKI-BBRMVZONSA-N 2 2 345.447 2.242 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000358577435 276113488 /nfs/dbraw/zinc/11/34/88/276113488.db2.gz LQASTDDGIGNKKI-BBRMVZONSA-N 2 2 345.447 2.242 10 0 EEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951311 278294548 /nfs/dbraw/zinc/29/45/48/278294548.db2.gz XYFFTCBGVRCDKW-SUMWQHHRSA-N 2 2 333.407 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420362023 289326846 /nfs/dbraw/zinc/32/68/46/289326846.db2.gz HLRDNDDWGSTTJS-YRNRMSPPSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420362023 289326851 /nfs/dbraw/zinc/32/68/51/289326851.db2.gz HLRDNDDWGSTTJS-YRNRMSPPSA-N 2 2 327.472 2.428 10 0 EEAELP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333771973 312195193 /nfs/dbraw/zinc/19/51/93/312195193.db2.gz CDRFKHKPMSXETQ-INIZCTEOSA-N 2 2 345.491 2.251 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000416863524 313340255 /nfs/dbraw/zinc/34/02/55/313340255.db2.gz ZYALGMNDBVDQED-HIFRSBDPSA-N 2 2 329.448 2.032 10 0 EEAELP C[C@H]([NH3+])c1ccc(CNC(=O)NCc2ccc(N(C)C)[nH+]c2)cc1 ZINC000417010225 313393294 /nfs/dbraw/zinc/39/32/94/313393294.db2.gz OWAFREJMDRQTSO-ZDUSSCGKSA-N 2 2 327.432 2.167 10 0 EEAELP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(F)F ZINC000455174524 315662912 /nfs/dbraw/zinc/66/29/12/315662912.db2.gz PXIYOUZIZLNUML-CQSZACIVSA-N 2 2 346.466 2.280 10 0 EEAELP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000527497788 317201054 /nfs/dbraw/zinc/20/10/54/317201054.db2.gz BYMXENLWQCHECM-GVDBMIGSSA-N 2 2 330.476 2.493 10 0 EEAELP CO[C@H](Cc1ccccc1)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528729373 317463529 /nfs/dbraw/zinc/46/35/29/317463529.db2.gz OYUYFLJQWUTMKJ-LJQANCHMSA-N 2 2 332.488 2.431 10 0 EEAELP COC(=O)CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H]1CCCO1 ZINC000543393830 318157525 /nfs/dbraw/zinc/15/75/25/318157525.db2.gz MSOBIOGMAUMGCH-OAHLLOKOSA-N 2 2 349.456 2.478 10 0 EEAELP COC(=O)CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H]1CCCO1 ZINC000543393830 318157528 /nfs/dbraw/zinc/15/75/28/318157528.db2.gz MSOBIOGMAUMGCH-OAHLLOKOSA-N 2 2 349.456 2.478 10 0 EEAELP CC(C)OC[C@@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000564861427 319119530 /nfs/dbraw/zinc/11/95/30/319119530.db2.gz ADHIPOZQRKGBGZ-NRXISQOPSA-N 2 2 338.414 2.167 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000574766573 320055332 /nfs/dbraw/zinc/05/53/32/320055332.db2.gz NTHDBHBTPLXUHV-LBPRGKRZSA-N 2 2 345.472 2.183 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000574766573 320055333 /nfs/dbraw/zinc/05/53/33/320055333.db2.gz NTHDBHBTPLXUHV-LBPRGKRZSA-N 2 2 345.472 2.183 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3CCc4ccccc4[C@@H]3C[NH3+])cn2c1 ZINC000575121535 320088793 /nfs/dbraw/zinc/08/87/93/320088793.db2.gz VIEVKJGTCVRXRN-SFHVURJKSA-N 2 2 349.438 2.410 10 0 EEAELP CC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000578374657 320310667 /nfs/dbraw/zinc/31/06/67/320310667.db2.gz GFLIUYJAASLQDP-JKSUJKDBSA-N 2 2 339.911 2.331 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000578374657 320310668 /nfs/dbraw/zinc/31/06/68/320310668.db2.gz GFLIUYJAASLQDP-JKSUJKDBSA-N 2 2 339.911 2.331 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000601104461 449691788 /nfs/dbraw/zinc/69/17/88/449691788.db2.gz YGRWGKNPYSBDRW-AWEZNQCLSA-N 2 2 332.448 2.177 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@@H]2CC[N@H+](C3CC3)C2)nc(C)[nH+]1 ZINC000601104461 449691798 /nfs/dbraw/zinc/69/17/98/449691798.db2.gz YGRWGKNPYSBDRW-AWEZNQCLSA-N 2 2 332.448 2.177 10 0 EEAELP Cc1cc(C)n2c(C[NH2+][C@H]3CCO[C@H](c4c[nH+]cn4C)C3)cnc2n1 ZINC000328628852 465078575 /nfs/dbraw/zinc/07/85/75/465078575.db2.gz HQRMUNNUNRXBIQ-YOEHRIQHSA-N 2 2 340.431 2.090 10 0 EEAELP CC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000347734739 465196099 /nfs/dbraw/zinc/19/60/99/465196099.db2.gz IBUZJCNKTLKWRE-IBGZPJMESA-N 2 2 345.487 2.009 10 0 EEAELP CC[N@H+]1CCOC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000347734739 465196103 /nfs/dbraw/zinc/19/61/03/465196103.db2.gz IBUZJCNKTLKWRE-IBGZPJMESA-N 2 2 345.487 2.009 10 0 EEAELP COCC[N@H+](C[C@@H]1C[NH+](Cc2ccccc2)CCCO1)[C@@H]1CCOC1 ZINC000342137732 465295343 /nfs/dbraw/zinc/29/53/43/465295343.db2.gz WQJLWUHPVWLFAL-UXHICEINSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[NH+](C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCOC1 ZINC000342137732 465295351 /nfs/dbraw/zinc/29/53/51/465295351.db2.gz WQJLWUHPVWLFAL-UXHICEINSA-N 2 2 348.487 2.015 10 0 EEAELP COCC[NH+](C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCOC1 ZINC000342137732 465295352 /nfs/dbraw/zinc/29/53/52/465295352.db2.gz WQJLWUHPVWLFAL-UXHICEINSA-N 2 2 348.487 2.015 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[C@H]1CCOC1 ZINC000551984005 468289062 /nfs/dbraw/zinc/28/90/62/468289062.db2.gz MUAHWNXMNCLJBE-IPYPFGDCSA-N 2 2 328.416 2.418 10 0 EEAELP NC(=O)C1CC[NH+](CCC[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000062639870 462621941 /nfs/dbraw/zinc/62/19/41/462621941.db2.gz CZOWPBIXYGDUBH-UHFFFAOYSA-N 2 2 327.831 2.156 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000154574482 462784618 /nfs/dbraw/zinc/78/46/18/462784618.db2.gz XERLSZTWUUMNSW-HOCLYGCPSA-N 2 2 344.463 2.461 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000154574482 462784623 /nfs/dbraw/zinc/78/46/23/462784623.db2.gz XERLSZTWUUMNSW-HOCLYGCPSA-N 2 2 344.463 2.461 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000069172076 463216689 /nfs/dbraw/zinc/21/66/89/463216689.db2.gz PJENGXOEZKUOPX-RHSMWYFYSA-N 2 2 334.460 2.219 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000069172076 463216691 /nfs/dbraw/zinc/21/66/91/463216691.db2.gz PJENGXOEZKUOPX-RHSMWYFYSA-N 2 2 334.460 2.219 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2sc(C)nc2C)nc[nH+]1 ZINC000123664977 463359003 /nfs/dbraw/zinc/35/90/03/463359003.db2.gz UGBANSPVXFZOFL-ZDUSSCGKSA-N 2 2 332.477 2.350 10 0 EEAELP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895296 463431376 /nfs/dbraw/zinc/43/13/76/463431376.db2.gz BLPNBZLRSRLRHU-HNNXBMFYSA-N 2 2 329.448 2.402 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000072255120 463488387 /nfs/dbraw/zinc/48/83/87/463488387.db2.gz RXDQCCKJMNCKLJ-AEFFLSMTSA-N 2 2 326.444 2.316 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000072255120 463488393 /nfs/dbraw/zinc/48/83/93/463488393.db2.gz RXDQCCKJMNCKLJ-AEFFLSMTSA-N 2 2 326.444 2.316 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151312121 463511906 /nfs/dbraw/zinc/51/19/06/463511906.db2.gz SXYGBPBNLODICE-VQIMIIECSA-N 3 2 328.460 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000151312121 463511909 /nfs/dbraw/zinc/51/19/09/463511909.db2.gz SXYGBPBNLODICE-VQIMIIECSA-N 2 2 328.460 2.370 10 0 EEAELP O=C(NCCn1cc[nH+]c1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000043517447 463644648 /nfs/dbraw/zinc/64/46/48/463644648.db2.gz AVFQTDLIKSQMPE-UHFFFAOYSA-N 2 2 334.449 2.147 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]([NH+](C)C)C3)cn2c1 ZINC000170882403 463731255 /nfs/dbraw/zinc/73/12/55/463731255.db2.gz PWGMOPMNOLEEJS-HNNXBMFYSA-N 2 2 332.473 2.038 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc3c[nH]nc3c2)nc[nH+]1 ZINC000171627061 463896329 /nfs/dbraw/zinc/89/63/29/463896329.db2.gz IVJOCOAYVVOQRE-OAHLLOKOSA-N 2 2 337.431 2.153 10 0 EEAELP C[C@]1(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261989278 463918614 /nfs/dbraw/zinc/91/86/14/463918614.db2.gz KBONFHFKOOOKOD-SFHVURJKSA-N 2 2 335.879 2.026 10 0 EEAELP Cn1cc(C[N@H+](CC[NH3+])CCc2ccccc2)c(-c2cccnc2)n1 ZINC000262068781 463939204 /nfs/dbraw/zinc/93/92/04/463939204.db2.gz RWNUOUMVXZQNEL-UHFFFAOYSA-N 2 2 335.455 2.486 10 0 EEAELP Cn1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)c(-c2cccnc2)n1 ZINC000262068781 463939208 /nfs/dbraw/zinc/93/92/08/463939208.db2.gz RWNUOUMVXZQNEL-UHFFFAOYSA-N 2 2 335.455 2.486 10 0 EEAELP CCOC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195249920 464023980 /nfs/dbraw/zinc/02/39/80/464023980.db2.gz WVVUHPHFKVACCP-AWEZNQCLSA-N 2 2 325.478 2.158 10 0 EEAELP CCOC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195249920 464023986 /nfs/dbraw/zinc/02/39/86/464023986.db2.gz WVVUHPHFKVACCP-AWEZNQCLSA-N 2 2 325.478 2.158 10 0 EEAELP CCOC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195249920 464023990 /nfs/dbraw/zinc/02/39/90/464023990.db2.gz WVVUHPHFKVACCP-AWEZNQCLSA-N 2 2 325.478 2.158 10 0 EEAELP CCOC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195249920 464023994 /nfs/dbraw/zinc/02/39/94/464023994.db2.gz WVVUHPHFKVACCP-AWEZNQCLSA-N 2 2 325.478 2.158 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000179709953 464177319 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0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000173676001 464306880 /nfs/dbraw/zinc/30/68/80/464306880.db2.gz BWMWIACICUXHBI-DOTOQJQBSA-N 2 2 345.491 2.306 10 0 EEAELP CCC[N@H+](CC)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175304361 464522928 /nfs/dbraw/zinc/52/29/28/464522928.db2.gz YQFPLEOCIYTNAU-UHFFFAOYSA-N 2 2 333.480 2.082 10 0 EEAELP CCC[N@@H+](CC)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175304361 464522936 /nfs/dbraw/zinc/52/29/36/464522936.db2.gz YQFPLEOCIYTNAU-UHFFFAOYSA-N 2 2 333.480 2.082 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000175541807 464571645 /nfs/dbraw/zinc/57/16/45/464571645.db2.gz OKYJDMXYTLCIQK-CVEARBPZSA-N 2 2 345.447 2.261 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246985474 464638698 /nfs/dbraw/zinc/63/86/98/464638698.db2.gz JWQTUPWBYGTDPL-LPHOPBHVSA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246985474 464638706 /nfs/dbraw/zinc/63/87/06/464638706.db2.gz JWQTUPWBYGTDPL-LPHOPBHVSA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246985474 464638710 /nfs/dbraw/zinc/63/87/10/464638710.db2.gz JWQTUPWBYGTDPL-LPHOPBHVSA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246985474 464638716 /nfs/dbraw/zinc/63/87/16/464638716.db2.gz JWQTUPWBYGTDPL-LPHOPBHVSA-N 2 2 347.503 2.364 10 0 EEAELP CC(C)OCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000182900103 464753529 /nfs/dbraw/zinc/75/35/29/464753529.db2.gz RXTXPLKMKGUYMB-UHFFFAOYSA-N 2 2 339.524 2.258 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569002375 468423092 /nfs/dbraw/zinc/42/30/92/468423092.db2.gz BSFVMCBUBKOXEI-XLIONFOSSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569002375 468423101 /nfs/dbraw/zinc/42/31/01/468423101.db2.gz BSFVMCBUBKOXEI-XLIONFOSSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3[C@@H](C)CC(O)C[C@@H]3C)c2cc1C ZINC000191171837 464790080 /nfs/dbraw/zinc/79/00/80/464790080.db2.gz SHNWTOPQQULOIZ-ZOBUZTSGSA-N 2 2 331.460 2.248 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000249276075 464856702 /nfs/dbraw/zinc/85/67/02/464856702.db2.gz KYYDJZYHXUOEAP-DLBZAZTESA-N 2 2 335.467 2.225 10 0 EEAELP C[C@@H]1CC[C@]2(CC[N@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)C1 ZINC000359561150 465455719 /nfs/dbraw/zinc/45/57/19/465455719.db2.gz QSNFTRFDBWQOSI-XLIONFOSSA-N 2 2 345.487 2.436 10 0 EEAELP C[C@@H]1CC[C@]2(CC[N@@H+](CC(=O)N3CC[NH+](Cc4ccco4)CC3)C2)C1 ZINC000359561150 465455722 /nfs/dbraw/zinc/45/57/22/465455722.db2.gz QSNFTRFDBWQOSI-XLIONFOSSA-N 2 2 345.487 2.436 10 0 EEAELP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361142197 465795422 /nfs/dbraw/zinc/79/54/22/465795422.db2.gz QONILSSCRGPTDS-UKRRQHHQSA-N 2 2 349.456 2.476 10 0 EEAELP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361142197 465795428 /nfs/dbraw/zinc/79/54/28/465795428.db2.gz QONILSSCRGPTDS-UKRRQHHQSA-N 2 2 349.456 2.476 10 0 EEAELP CCc1cccc(F)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000353663964 466049970 /nfs/dbraw/zinc/04/99/70/466049970.db2.gz WNCHQVLSAKIESY-GOSISDBHSA-N 2 2 333.451 2.127 10 0 EEAELP CCc1cccc(F)c1C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000353663964 466049973 /nfs/dbraw/zinc/04/99/73/466049973.db2.gz WNCHQVLSAKIESY-GOSISDBHSA-N 2 2 333.451 2.127 10 0 EEAELP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CCO1 ZINC000338392293 466085438 /nfs/dbraw/zinc/08/54/38/466085438.db2.gz UEXVJZAZXCKWNM-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CCO1 ZINC000338392293 466085443 /nfs/dbraw/zinc/08/54/43/466085443.db2.gz UEXVJZAZXCKWNM-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP c1ccc2c(c1)CCCN2CC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367094824 466126115 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HQSTZYMLDPYEKT-QHAWAJNXSA-N 3 2 343.515 2.481 10 0 EEAELP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332691855 466552636 /nfs/dbraw/zinc/55/26/36/466552636.db2.gz UFMSTYKDDAERJI-CVEARBPZSA-N 2 2 333.480 2.052 10 0 EEAELP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332691855 466552648 /nfs/dbraw/zinc/55/26/48/466552648.db2.gz UFMSTYKDDAERJI-CVEARBPZSA-N 2 2 333.480 2.052 10 0 EEAELP C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000368516986 466656720 /nfs/dbraw/zinc/65/67/20/466656720.db2.gz WTRDOMXUKAULCQ-FUHWJXTLSA-N 2 2 345.487 2.049 10 0 EEAELP Cc1cc(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cc[nH+]1 ZINC000415392281 466662753 /nfs/dbraw/zinc/66/27/53/466662753.db2.gz JAISTQWXGJPPES-SJORKVTESA-N 2 2 328.391 2.300 10 0 EEAELP COC[C@@]1(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CCC[NH2+]1 ZINC000423425536 466746939 /nfs/dbraw/zinc/74/69/39/466746939.db2.gz MIYMFABZNYHKSG-ACJLOTCBSA-N 2 2 335.448 2.073 10 0 EEAELP COC[C@@]1(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)CCC[NH2+]1 ZINC000423441806 466750725 /nfs/dbraw/zinc/75/07/25/466750725.db2.gz WFVWLPUZQOBXRQ-GUYCJALGSA-N 2 2 349.866 2.340 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)CC2 ZINC000373307774 466761939 /nfs/dbraw/zinc/76/19/39/466761939.db2.gz YHPFKUFBFNBABJ-MRXNPFEDSA-N 2 2 333.480 2.085 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)CC2 ZINC000373307774 466761941 /nfs/dbraw/zinc/76/19/41/466761941.db2.gz YHPFKUFBFNBABJ-MRXNPFEDSA-N 2 2 333.480 2.085 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423824706 466860067 /nfs/dbraw/zinc/86/00/67/466860067.db2.gz KZYBYSZUVMYDEY-CABCVRRESA-N 2 2 339.842 2.340 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423824706 466860072 /nfs/dbraw/zinc/86/00/72/466860072.db2.gz KZYBYSZUVMYDEY-CABCVRRESA-N 2 2 339.842 2.340 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423839266 466870699 /nfs/dbraw/zinc/87/06/99/466870699.db2.gz XXGBJXWXMJSNBX-PWBULWKKSA-N 2 2 337.414 2.214 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423839266 466870704 /nfs/dbraw/zinc/87/07/04/466870704.db2.gz XXGBJXWXMJSNBX-PWBULWKKSA-N 2 2 337.414 2.214 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC(F)(F)C[NH3+])cc1 ZINC000417852198 466956040 /nfs/dbraw/zinc/95/60/40/466956040.db2.gz GVBJQEIQILAYQT-NSHDSACASA-N 2 2 337.374 2.135 10 0 EEAELP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCCc2cn(C)c[nH+]2)cc1 ZINC000418280441 467087822 /nfs/dbraw/zinc/08/78/22/467087822.db2.gz MBECIBXRSBQTAR-KRWDZBQOSA-N 2 2 329.448 2.085 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432344846 467233241 /nfs/dbraw/zinc/23/32/41/467233241.db2.gz FXVRHXZDTDWRLE-INIZCTEOSA-N 3 2 343.475 2.166 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432344846 467233244 /nfs/dbraw/zinc/23/32/44/467233244.db2.gz FXVRHXZDTDWRLE-INIZCTEOSA-N 3 2 343.475 2.166 10 0 EEAELP C[NH+]1CCC(CNC(=O)NC2CC(F)(F)C2)([NH+]2CCCCC2)CC1 ZINC000428594902 467250753 /nfs/dbraw/zinc/25/07/53/467250753.db2.gz DRZCIIJKXFWRGK-UHFFFAOYSA-N 2 2 344.450 2.034 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000429041012 467295952 /nfs/dbraw/zinc/29/59/52/467295952.db2.gz NTVPXYHCDRFZBA-NRFANRHFSA-N 2 2 343.515 2.298 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1 ZINC000429041012 467295954 /nfs/dbraw/zinc/29/59/54/467295954.db2.gz NTVPXYHCDRFZBA-NRFANRHFSA-N 2 2 343.515 2.298 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000429041012 467295955 /nfs/dbraw/zinc/29/59/55/467295955.db2.gz NTVPXYHCDRFZBA-NRFANRHFSA-N 2 2 343.515 2.298 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1 ZINC000429041012 467295957 /nfs/dbraw/zinc/29/59/57/467295957.db2.gz NTVPXYHCDRFZBA-NRFANRHFSA-N 2 2 343.515 2.298 10 0 EEAELP CC(C)(C[NH+]1CCOCC1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000413970048 467352867 /nfs/dbraw/zinc/35/28/67/467352867.db2.gz WKHKEEBGADGYFH-UHFFFAOYSA-N 2 2 345.487 2.123 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420373734 467382887 /nfs/dbraw/zinc/38/28/87/467382887.db2.gz NEMKQACSUSAWEH-IEBWSBKVSA-N 2 2 331.460 2.488 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420373734 467382890 /nfs/dbraw/zinc/38/28/90/467382890.db2.gz NEMKQACSUSAWEH-IEBWSBKVSA-N 2 2 331.460 2.488 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375942 467384356 /nfs/dbraw/zinc/38/43/56/467384356.db2.gz OQOZJSKJTTVIPV-UZLBHIALSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375942 467384361 /nfs/dbraw/zinc/38/43/61/467384361.db2.gz OQOZJSKJTTVIPV-UZLBHIALSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000386250683 467389179 /nfs/dbraw/zinc/38/91/79/467389179.db2.gz DAJOJYQKRRXADV-RSRIQPTJSA-N 3 2 343.515 2.254 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000386250683 467389183 /nfs/dbraw/zinc/38/91/83/467389183.db2.gz DAJOJYQKRRXADV-RSRIQPTJSA-N 3 2 343.515 2.254 10 0 EEAELP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc2c(c1)OCCO2 ZINC000414307540 467400602 /nfs/dbraw/zinc/40/06/02/467400602.db2.gz FIDOGGNNPNZTAH-OAHLLOKOSA-N 2 2 330.432 2.498 10 0 EEAELP C[N@H+](C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC000390844271 467415956 /nfs/dbraw/zinc/41/59/56/467415956.db2.gz FZGYPBLHGBODIC-VCYXJBJXSA-N 3 2 343.515 2.227 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC000390844271 467415961 /nfs/dbraw/zinc/41/59/61/467415961.db2.gz FZGYPBLHGBODIC-VCYXJBJXSA-N 3 2 343.515 2.227 10 0 EEAELP C[NH+](C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000390844271 467415965 /nfs/dbraw/zinc/41/59/65/467415965.db2.gz FZGYPBLHGBODIC-VCYXJBJXSA-N 3 2 343.515 2.227 10 0 EEAELP C[NH+](C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000390844271 467415970 /nfs/dbraw/zinc/41/59/70/467415970.db2.gz FZGYPBLHGBODIC-VCYXJBJXSA-N 3 2 343.515 2.227 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cnn(Cc2ccccc2)c1 ZINC000453266840 467474203 /nfs/dbraw/zinc/47/42/03/467474203.db2.gz OPQOHYSEGVMHCQ-FXAWDEMLSA-N 2 2 342.487 2.429 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cnn(Cc2ccccc2)c1 ZINC000453266840 467474206 /nfs/dbraw/zinc/47/42/06/467474206.db2.gz OPQOHYSEGVMHCQ-FXAWDEMLSA-N 2 2 342.487 2.429 10 0 EEAELP OC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccsc1 ZINC000420913362 467512456 /nfs/dbraw/zinc/51/24/56/467512456.db2.gz ATTPPYODAMGCFM-GOSISDBHSA-N 2 2 332.469 2.404 10 0 EEAELP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000530243722 467967406 /nfs/dbraw/zinc/96/74/06/467967406.db2.gz ZSOGHORRJVGNAE-KRWDZBQOSA-N 2 2 345.491 2.081 10 0 EEAELP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000515027772 467969012 /nfs/dbraw/zinc/96/90/12/467969012.db2.gz AQUMRMQKJSZKQM-OCCSQVGLSA-N 2 2 327.436 2.091 10 0 EEAELP C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000515027772 467969014 /nfs/dbraw/zinc/96/90/14/467969014.db2.gz AQUMRMQKJSZKQM-OCCSQVGLSA-N 2 2 327.436 2.091 10 0 EEAELP Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000488387355 468084260 /nfs/dbraw/zinc/08/42/60/468084260.db2.gz PUULVGHTKYNPAJ-ZBFHGGJFSA-N 2 2 332.496 2.337 10 0 EEAELP Cc1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000488387355 468084262 /nfs/dbraw/zinc/08/42/62/468084262.db2.gz PUULVGHTKYNPAJ-ZBFHGGJFSA-N 2 2 332.496 2.337 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567848148 468221864 /nfs/dbraw/zinc/22/18/64/468221864.db2.gz XPGUBGDZQVVCIW-IYBDPMFKSA-N 2 2 326.444 2.193 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[NH2+][C@H](c4ccccc4)C3)[nH+]c12 ZINC000569549988 468507327 /nfs/dbraw/zinc/50/73/27/468507327.db2.gz RTDRMBSUACMHPI-SFHVURJKSA-N 2 2 334.423 2.358 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569927685 468564748 /nfs/dbraw/zinc/56/47/48/468564748.db2.gz GOABQNPFAMYABN-KXBFYZLASA-N 2 2 333.451 2.248 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569927685 468564754 /nfs/dbraw/zinc/56/47/54/468564754.db2.gz GOABQNPFAMYABN-KXBFYZLASA-N 2 2 333.451 2.248 10 0 EEAELP CC(C)[NH2+]CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000557217509 468621960 /nfs/dbraw/zinc/62/19/60/468621960.db2.gz ZHFYHPIJDVZLPB-MRXNPFEDSA-N 2 2 347.507 2.497 10 0 EEAELP CC(C)(C)OC(=O)C1CCC(O)(C[NH2+]CCCn2cc[nH+]c2)CC1 ZINC000600713166 468630069 /nfs/dbraw/zinc/63/00/69/468630069.db2.gz GMLXACMKVUIHQS-UHFFFAOYSA-N 2 2 337.464 2.126 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000594928212 468724885 /nfs/dbraw/zinc/72/48/85/468724885.db2.gz GMWOEOSFWDLKCC-DZUCGIPZSA-N 2 2 327.428 2.491 10 0 EEAELP Cc1c(C[N@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cnn1C ZINC000560017733 468762083 /nfs/dbraw/zinc/76/20/83/468762083.db2.gz HGKGDLBGEIZXCV-QGZVFWFLSA-N 2 2 341.459 2.188 10 0 EEAELP Cc1c(C[N@@H+](C)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)cnn1C ZINC000560017733 468762087 /nfs/dbraw/zinc/76/20/87/468762087.db2.gz HGKGDLBGEIZXCV-QGZVFWFLSA-N 2 2 341.459 2.188 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOc3ccccc3[C@H]2C)CC1 ZINC000603933765 469448677 /nfs/dbraw/zinc/44/86/77/469448677.db2.gz WYQQMEGJQDBOSH-MRXNPFEDSA-N 2 2 345.487 2.431 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCOc3ccccc3[C@H]2C)CC1 ZINC000603933765 469448679 /nfs/dbraw/zinc/44/86/79/469448679.db2.gz WYQQMEGJQDBOSH-MRXNPFEDSA-N 2 2 345.487 2.431 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000625968274 469451959 /nfs/dbraw/zinc/45/19/59/469451959.db2.gz FCHWICNVOYFLMT-ZWKOTPCHSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000625968274 469451962 /nfs/dbraw/zinc/45/19/62/469451962.db2.gz FCHWICNVOYFLMT-ZWKOTPCHSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000625968274 469451964 /nfs/dbraw/zinc/45/19/64/469451964.db2.gz FCHWICNVOYFLMT-ZWKOTPCHSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000625968274 469451968 /nfs/dbraw/zinc/45/19/68/469451968.db2.gz FCHWICNVOYFLMT-ZWKOTPCHSA-N 2 2 338.467 2.333 10 0 EEAELP C[C@H]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C[NH2+]1 ZINC000629393918 469530825 /nfs/dbraw/zinc/53/08/25/469530825.db2.gz DWGBFKLKIOOQON-ONGXEEELSA-N 2 2 327.222 2.408 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)CC2 ZINC000626285727 469563694 /nfs/dbraw/zinc/56/36/94/469563694.db2.gz AFZYXPPZFPIKMD-AOIWGVFYSA-N 2 2 338.455 2.316 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)CC2 ZINC000626285727 469563698 /nfs/dbraw/zinc/56/36/98/469563698.db2.gz AFZYXPPZFPIKMD-AOIWGVFYSA-N 2 2 338.455 2.316 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375310 469697221 /nfs/dbraw/zinc/69/72/21/469697221.db2.gz AUTNHFHDGNNOEH-SOUVJXGZSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375310 469697225 /nfs/dbraw/zinc/69/72/25/469697225.db2.gz AUTNHFHDGNNOEH-SOUVJXGZSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375310 469697228 /nfs/dbraw/zinc/69/72/28/469697228.db2.gz AUTNHFHDGNNOEH-SOUVJXGZSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375310 469697232 /nfs/dbraw/zinc/69/72/32/469697232.db2.gz AUTNHFHDGNNOEH-SOUVJXGZSA-N 2 2 330.476 2.284 10 0 EEAELP Cc1nc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(-c2ccccc2)o1 ZINC000617764799 469795497 /nfs/dbraw/zinc/79/54/97/469795497.db2.gz HNMCKVXHEHUWSY-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP Cc1nc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(-c2ccccc2)o1 ZINC000617764799 469795502 /nfs/dbraw/zinc/79/55/02/469795502.db2.gz HNMCKVXHEHUWSY-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP Cc1ccc2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2n1 ZINC000617765858 469797088 /nfs/dbraw/zinc/79/70/88/469797088.db2.gz TUPIXTDUMLMAOT-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP Cc1ccc2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2n1 ZINC000617765858 469797092 /nfs/dbraw/zinc/79/70/92/469797092.db2.gz TUPIXTDUMLMAOT-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP C[C@@H](OC1CCCCCC1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617765715 469797588 /nfs/dbraw/zinc/79/75/88/469797588.db2.gz NBVVRTHFRPEWPB-MRXNPFEDSA-N 2 2 327.513 2.114 10 0 EEAELP C[C@@H](OC1CCCCCC1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617765715 469797590 /nfs/dbraw/zinc/79/75/90/469797590.db2.gz NBVVRTHFRPEWPB-MRXNPFEDSA-N 2 2 327.513 2.114 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc2c(c1)CCCC2 ZINC000617768612 469798397 /nfs/dbraw/zinc/79/83/97/469798397.db2.gz MIURYDLJRJGGIV-UHFFFAOYSA-N 2 2 331.504 2.108 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc2c(c1)CCCC2 ZINC000617768612 469798400 /nfs/dbraw/zinc/79/84/00/469798400.db2.gz MIURYDLJRJGGIV-UHFFFAOYSA-N 2 2 331.504 2.108 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]cc1-c1ccccc1 ZINC000617767499 469799190 /nfs/dbraw/zinc/79/91/90/469799190.db2.gz YBIFECGVWSLHKL-UHFFFAOYSA-N 2 2 328.460 2.295 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]cc1-c1ccccc1 ZINC000617767499 469799194 /nfs/dbraw/zinc/79/91/94/469799194.db2.gz YBIFECGVWSLHKL-UHFFFAOYSA-N 2 2 328.460 2.295 10 0 EEAELP CC(C)(C[NH+]1CCOCC1)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624279115 469895505 /nfs/dbraw/zinc/89/55/05/469895505.db2.gz HNGSSEYEPVCIHM-UHFFFAOYSA-N 2 2 325.416 2.405 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)NCCC[NH+]1CCCCC1 ZINC000630555929 469898205 /nfs/dbraw/zinc/89/82/05/469898205.db2.gz LGVVSYZYHWCLCW-UHFFFAOYSA-N 2 2 326.444 2.407 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)CC2 ZINC000625210217 470095382 /nfs/dbraw/zinc/09/53/82/470095382.db2.gz BEGPTQCIKKKQET-MRXNPFEDSA-N 2 2 326.444 2.497 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000625257198 470106704 /nfs/dbraw/zinc/10/67/04/470106704.db2.gz XUKZLXCTAYMSHF-UONOGXRCSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000625257198 470106707 /nfs/dbraw/zinc/10/67/07/470106707.db2.gz XUKZLXCTAYMSHF-UONOGXRCSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000625257198 470106711 /nfs/dbraw/zinc/10/67/11/470106711.db2.gz XUKZLXCTAYMSHF-UONOGXRCSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000625257198 470106715 /nfs/dbraw/zinc/10/67/15/470106715.db2.gz XUKZLXCTAYMSHF-UONOGXRCSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000625263014 470107980 /nfs/dbraw/zinc/10/79/80/470107980.db2.gz XAIOHCIINWMTND-UHFFFAOYSA-N 2 2 332.370 2.390 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cc3ccncc3Cl)c2)CC1 ZINC000634193266 470229661 /nfs/dbraw/zinc/22/96/61/470229661.db2.gz IDRUGLHIUCWOPW-UHFFFAOYSA-N 2 2 345.834 2.063 10 0 EEAELP O[C@]1(C[NH+]2CC(Cc3ccco3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634651269 470275218 /nfs/dbraw/zinc/27/52/18/470275218.db2.gz KGCAALSBELWRRJ-HXUWFJFHSA-N 2 2 326.440 2.391 10 0 EEAELP O[C@]1(C[NH+]2CC(Cc3ccco3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634651269 470275219 /nfs/dbraw/zinc/27/52/19/470275219.db2.gz KGCAALSBELWRRJ-HXUWFJFHSA-N 2 2 326.440 2.391 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CC4(CCC4)[C@H]3C3CC3)C2)CC1 ZINC000642399024 470550197 /nfs/dbraw/zinc/55/01/97/470550197.db2.gz MVXCRBYJPKPVFU-FUHWJXTLSA-N 2 2 346.519 2.129 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CC4(CCC4)[C@H]3C3CC3)C2)CC1 ZINC000642399024 470550202 /nfs/dbraw/zinc/55/02/02/470550202.db2.gz MVXCRBYJPKPVFU-FUHWJXTLSA-N 2 2 346.519 2.129 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000649393388 470572530 /nfs/dbraw/zinc/57/25/30/470572530.db2.gz DCQZODVMGDHHNA-ZFWWWQNUSA-N 2 2 329.435 2.226 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000649393388 470572533 /nfs/dbraw/zinc/57/25/33/470572533.db2.gz DCQZODVMGDHHNA-ZFWWWQNUSA-N 2 2 329.435 2.226 10 0 EEAELP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2c(c1)COCC2 ZINC000639625109 470583997 /nfs/dbraw/zinc/58/39/97/470583997.db2.gz OHTQDKPOKOGMQL-IBGZPJMESA-N 2 2 330.472 2.446 10 0 EEAELP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c2c(c1)COCC2 ZINC000639625109 470584001 /nfs/dbraw/zinc/58/40/01/470584001.db2.gz OHTQDKPOKOGMQL-IBGZPJMESA-N 2 2 330.472 2.446 10 0 EEAELP c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000638119380 470973600 /nfs/dbraw/zinc/97/36/00/470973600.db2.gz PXEZAECHUDIIRU-OALUTQOASA-N 2 2 329.488 2.167 10 0 EEAELP c1ccc(N2CC[C@@H](C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000638119380 470973603 /nfs/dbraw/zinc/97/36/03/470973603.db2.gz PXEZAECHUDIIRU-OALUTQOASA-N 2 2 329.488 2.167 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000650833248 470980367 /nfs/dbraw/zinc/98/03/67/470980367.db2.gz HUJVTXLCTYNSJO-UHFFFAOYSA-N 2 2 349.401 2.223 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000650833248 470980371 /nfs/dbraw/zinc/98/03/71/470980371.db2.gz HUJVTXLCTYNSJO-UHFFFAOYSA-N 2 2 349.401 2.223 10 0 EEAELP Cn1cc[nH+]c1[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000650868462 470989271 /nfs/dbraw/zinc/98/92/71/470989271.db2.gz ABLKPKZOYUTNBA-QGZVFWFLSA-N 2 2 341.459 2.097 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)CO[C@H]1CCCc2ccccc21 ZINC000644651022 471005693 /nfs/dbraw/zinc/00/56/93/471005693.db2.gz MGMWCEYMCSILGV-YRNRMSPPSA-N 2 2 341.455 2.312 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)CO[C@H]1CCCc2ccccc21 ZINC000644651022 471005694 /nfs/dbraw/zinc/00/56/94/471005694.db2.gz MGMWCEYMCSILGV-YRNRMSPPSA-N 2 2 341.455 2.312 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899171 471010419 /nfs/dbraw/zinc/01/04/19/471010419.db2.gz BPCGVKWNWNERAY-SUMDDJOVSA-N 2 2 347.478 2.337 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899171 471010422 /nfs/dbraw/zinc/01/04/22/471010422.db2.gz BPCGVKWNWNERAY-SUMDDJOVSA-N 2 2 347.478 2.337 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899467 471010536 /nfs/dbraw/zinc/01/05/36/471010536.db2.gz LQXAKWRXCBLOTA-SJLPKXTDSA-N 2 2 333.451 2.248 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899467 471010540 /nfs/dbraw/zinc/01/05/40/471010540.db2.gz LQXAKWRXCBLOTA-SJLPKXTDSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900399 471011386 /nfs/dbraw/zinc/01/13/86/471011386.db2.gz ANQWQZDRGWDMHP-UWWQBHOKSA-N 2 2 333.451 2.294 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900399 471011391 /nfs/dbraw/zinc/01/13/91/471011391.db2.gz ANQWQZDRGWDMHP-UWWQBHOKSA-N 2 2 333.451 2.294 10 0 EEAELP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCN1c1ccccc1F ZINC000647904145 471013495 /nfs/dbraw/zinc/01/34/95/471013495.db2.gz XNFFMBHNFRSZIC-QGPMSJSTSA-N 2 2 331.435 2.395 10 0 EEAELP O=C1[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CCN1c1ccccc1F ZINC000647904145 471013498 /nfs/dbraw/zinc/01/34/98/471013498.db2.gz XNFFMBHNFRSZIC-QGPMSJSTSA-N 2 2 331.435 2.395 10 0 EEAELP c1cnc(N2CC[NH+](CCC[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)nc1 ZINC000638353580 471053487 /nfs/dbraw/zinc/05/34/87/471053487.db2.gz XGAKBQWQGKDYKC-FGTMMUONSA-N 2 2 329.492 2.015 10 0 EEAELP C[C@@H](Cc1cnccn1)[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000651297769 471119194 /nfs/dbraw/zinc/11/91/94/471119194.db2.gz XBLMBGCBCFVDLR-PXNSSMCTSA-N 2 2 340.471 2.024 10 0 EEAELP C[C@@H](Cc1cnccn1)[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000651297769 471119201 /nfs/dbraw/zinc/11/92/01/471119201.db2.gz XBLMBGCBCFVDLR-PXNSSMCTSA-N 2 2 340.471 2.024 10 0 EEAELP c1ccc2[nH+]c(CCNc3nc(N[C@@H]4CCCOC4)cc[nH+]3)[nH]c2c1 ZINC000645032198 471124331 /nfs/dbraw/zinc/12/43/31/471124331.db2.gz UQWSHLSHGGLBNF-CYBMUJFWSA-N 2 2 338.415 2.598 10 0 EEAELP COC[C@@H](CC1CCOCC1)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000657943984 471250926 /nfs/dbraw/zinc/25/09/26/471250926.db2.gz XMXOJLPQEMMTPK-QGZVFWFLSA-N 2 2 348.491 2.077 10 0 EEAELP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658056487 471263595 /nfs/dbraw/zinc/26/35/95/471263595.db2.gz LMHXRSHUZLOCJS-ZFWWWQNUSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658056487 471263598 /nfs/dbraw/zinc/26/35/98/471263598.db2.gz LMHXRSHUZLOCJS-ZFWWWQNUSA-N 2 2 339.505 2.118 10 0 EEAELP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666285027 471340096 /nfs/dbraw/zinc/34/00/96/471340096.db2.gz NORKXDYRYXWMPZ-CYBMUJFWSA-N 2 2 328.416 2.224 10 0 EEAELP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666285027 471340102 /nfs/dbraw/zinc/34/01/02/471340102.db2.gz NORKXDYRYXWMPZ-CYBMUJFWSA-N 2 2 328.416 2.224 10 0 EEAELP C[C@H](NC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1[nH+]ccn1C ZINC000660697554 471448588 /nfs/dbraw/zinc/44/85/88/471448588.db2.gz HVZXNQUUOWFGID-SWLSCSKDSA-N 2 2 333.411 2.222 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(F)(F)C(C)(C)C)C2)CC1 ZINC000660712869 471458225 /nfs/dbraw/zinc/45/82/25/471458225.db2.gz NQUKMLDSOFALLQ-ZDUSSCGKSA-N 2 2 346.466 2.136 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(F)(F)C(C)(C)C)C2)CC1 ZINC000660712869 471458229 /nfs/dbraw/zinc/45/82/29/471458229.db2.gz NQUKMLDSOFALLQ-ZDUSSCGKSA-N 2 2 346.466 2.136 10 0 EEAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000655775733 471478463 /nfs/dbraw/zinc/47/84/63/471478463.db2.gz AEGOROIQFBJFJF-HXUWFJFHSA-N 2 2 342.487 2.426 10 0 EEAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000655775733 471478468 /nfs/dbraw/zinc/47/84/68/471478468.db2.gz AEGOROIQFBJFJF-HXUWFJFHSA-N 2 2 342.487 2.426 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000663735923 471496148 /nfs/dbraw/zinc/49/61/48/471496148.db2.gz HTFXSAFKAKFMOC-QGZVFWFLSA-N 2 2 334.508 2.109 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000663735923 471496154 /nfs/dbraw/zinc/49/61/54/471496154.db2.gz HTFXSAFKAKFMOC-QGZVFWFLSA-N 2 2 334.508 2.109 10 0 EEAELP CCOc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(F)cn1 ZINC000663746905 471500382 /nfs/dbraw/zinc/50/03/82/471500382.db2.gz AYSHSWAMLPXHRD-XYPWUTKMSA-N 2 2 348.466 2.367 10 0 EEAELP CCOc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(F)cn1 ZINC000663746905 471500389 /nfs/dbraw/zinc/50/03/89/471500389.db2.gz AYSHSWAMLPXHRD-XYPWUTKMSA-N 2 2 348.466 2.367 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000659327325 471582791 /nfs/dbraw/zinc/58/27/91/471582791.db2.gz BIAWKJSBQVCIPL-BMFAXAFESA-N 2 2 347.503 2.249 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000659327325 471582794 /nfs/dbraw/zinc/58/27/94/471582794.db2.gz BIAWKJSBQVCIPL-BMFAXAFESA-N 2 2 347.503 2.249 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000659428887 471621487 /nfs/dbraw/zinc/62/14/87/471621487.db2.gz INVJPVAMUHJQGC-CVEARBPZSA-N 2 2 347.438 2.321 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CCCC2=O ZINC000667165232 471677745 /nfs/dbraw/zinc/67/77/45/471677745.db2.gz RCZOJHHWZJPDFH-UHFFFAOYSA-N 2 2 346.475 2.211 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CCCC2=O ZINC000667165232 471677749 /nfs/dbraw/zinc/67/77/49/471677749.db2.gz RCZOJHHWZJPDFH-UHFFFAOYSA-N 2 2 346.475 2.211 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779334 471738468 /nfs/dbraw/zinc/73/84/68/471738468.db2.gz WNJSTSNRFDRGSY-QZTJIDSGSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779334 471738475 /nfs/dbraw/zinc/73/84/75/471738475.db2.gz WNJSTSNRFDRGSY-QZTJIDSGSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779334 471738478 /nfs/dbraw/zinc/73/84/78/471738478.db2.gz WNJSTSNRFDRGSY-QZTJIDSGSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779334 471738484 /nfs/dbraw/zinc/73/84/84/471738484.db2.gz WNJSTSNRFDRGSY-QZTJIDSGSA-N 2 2 338.467 2.162 10 0 EEAELP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCCCC2)O1 ZINC000653908149 471774858 /nfs/dbraw/zinc/77/48/58/471774858.db2.gz GDXWYZFZRZJMKG-INIZCTEOSA-N 2 2 349.519 2.153 10 0 EEAELP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCCCC2)O1 ZINC000653908149 471774861 /nfs/dbraw/zinc/77/48/61/471774861.db2.gz GDXWYZFZRZJMKG-INIZCTEOSA-N 2 2 349.519 2.153 10 0 EEAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@]1(O)CCCOC1 ZINC000659972622 471810046 /nfs/dbraw/zinc/81/00/46/471810046.db2.gz CHLVCAGXTYWYCT-IBGZPJMESA-N 2 2 333.476 2.161 10 0 EEAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)C[C@@]1(O)CCCOC1 ZINC000659972622 471810050 /nfs/dbraw/zinc/81/00/50/471810050.db2.gz CHLVCAGXTYWYCT-IBGZPJMESA-N 2 2 333.476 2.161 10 0 EEAELP CC[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000661866447 471909648 /nfs/dbraw/zinc/90/96/48/471909648.db2.gz QMUPRJIRHJLYQD-UJJTZGENSA-N 2 2 334.508 2.127 10 0 EEAELP CC[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000661866447 471909650 /nfs/dbraw/zinc/90/96/50/471909650.db2.gz QMUPRJIRHJLYQD-UJJTZGENSA-N 2 2 334.508 2.127 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ncnn21 ZINC000665235970 471976261 /nfs/dbraw/zinc/97/62/61/471976261.db2.gz DRGGMLPPVLLSIG-FHIHXZLISA-N 2 2 325.416 2.129 10 0 EEAELP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316066 472066461 /nfs/dbraw/zinc/06/64/61/472066461.db2.gz HYIHWGFIBKJYAV-GOSISDBHSA-N 2 2 341.540 2.170 10 0 EEAELP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316066 472066465 /nfs/dbraw/zinc/06/64/65/472066465.db2.gz HYIHWGFIBKJYAV-GOSISDBHSA-N 2 2 341.540 2.170 10 0 EEAELP C[C@@H](NC(=O)[C@H]([NH3+])c1ccccc1Br)c1[nH+]ccn1C ZINC000662934369 472303226 /nfs/dbraw/zinc/30/32/26/472303226.db2.gz NSFUXTIIBBHLJJ-BXKDBHETSA-N 2 2 337.221 2.060 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000651363026 485538308 /nfs/dbraw/zinc/53/83/08/485538308.db2.gz MEOQHYBZEVDDSC-HOTGVXAUSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)nc[nH+]1 ZINC000651363026 485538315 /nfs/dbraw/zinc/53/83/15/485538315.db2.gz MEOQHYBZEVDDSC-HOTGVXAUSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000651363026 485538318 /nfs/dbraw/zinc/53/83/18/485538318.db2.gz MEOQHYBZEVDDSC-HOTGVXAUSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CC[C@H]([C@H](C)O)C2)[nH+]cn1 ZINC000651363026 485538324 /nfs/dbraw/zinc/53/83/24/485538324.db2.gz MEOQHYBZEVDDSC-HOTGVXAUSA-N 2 2 335.496 2.074 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@]1(CO)CCC[NH+](Cc2ccccc2)C1 ZINC000679044727 485573311 /nfs/dbraw/zinc/57/33/11/485573311.db2.gz QFCDLMJEGBONSN-UIFIKXQLSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@]1(CO)CCC[NH+](Cc2ccccc2)C1 ZINC000679044727 485573315 /nfs/dbraw/zinc/57/33/15/485573315.db2.gz QFCDLMJEGBONSN-UIFIKXQLSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044727 485573320 /nfs/dbraw/zinc/57/33/20/485573320.db2.gz QFCDLMJEGBONSN-UIFIKXQLSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044727 485573323 /nfs/dbraw/zinc/57/33/23/485573323.db2.gz QFCDLMJEGBONSN-UIFIKXQLSA-N 2 2 343.515 2.086 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc2occc2c1 ZINC000665959434 485615728 /nfs/dbraw/zinc/61/57/28/485615728.db2.gz OZJPZZOMZHLKIK-UHFFFAOYSA-N 2 2 332.448 2.116 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc2occc2c1 ZINC000665959434 485615736 /nfs/dbraw/zinc/61/57/36/485615736.db2.gz OZJPZZOMZHLKIK-UHFFFAOYSA-N 2 2 332.448 2.116 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[NH+](CCCF)CC1 ZINC000627955107 485703221 /nfs/dbraw/zinc/70/32/21/485703221.db2.gz XCUWWFPGMZMANJ-UHFFFAOYSA-N 2 2 332.423 2.103 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596689 485739095 /nfs/dbraw/zinc/73/90/95/485739095.db2.gz UFBXFLDZENUSDJ-XWIAVFTESA-N 2 2 335.879 2.276 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596689 485739102 /nfs/dbraw/zinc/73/91/02/485739102.db2.gz UFBXFLDZENUSDJ-XWIAVFTESA-N 2 2 335.879 2.276 10 0 EEAELP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000679829823 485817820 /nfs/dbraw/zinc/81/78/20/485817820.db2.gz OPVGAQWDKRZCHI-KRWDZBQOSA-N 2 2 348.472 2.180 10 0 EEAELP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000679829823 485817829 /nfs/dbraw/zinc/81/78/29/485817829.db2.gz OPVGAQWDKRZCHI-KRWDZBQOSA-N 2 2 348.472 2.180 10 0 EEAELP Cc1ccc(C2CCN(c3nc(N4CCOCC4)cc[nH+]3)CC2)c[nH+]1 ZINC000679932915 485847765 /nfs/dbraw/zinc/84/77/65/485847765.db2.gz BTMGFSFDDWGMLC-UHFFFAOYSA-N 2 2 339.443 2.401 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C[NH+]1CC2(C1)CC(F)(F)C2)c1ccccc1 ZINC000681216312 486175504 /nfs/dbraw/zinc/17/55/04/486175504.db2.gz XKQFLPZBGQWRQT-OAHLLOKOSA-N 2 2 337.414 2.137 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC/C=C\c3ccccc3)C2)CC1 ZINC000734278828 577286700 /nfs/dbraw/zinc/28/67/00/577286700.db2.gz ZEGOEXLACVYIPB-GNJLHFKMSA-N 2 2 342.487 2.168 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC/C=C\c3ccccc3)C2)CC1 ZINC000734278828 577286702 /nfs/dbraw/zinc/28/67/02/577286702.db2.gz ZEGOEXLACVYIPB-GNJLHFKMSA-N 2 2 342.487 2.168 10 0 EEAELP CC[NH+](CC)C[C@H]1CC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743388617 577884475 /nfs/dbraw/zinc/88/44/75/577884475.db2.gz UOTWTGISWTURMV-OAHLLOKOSA-N 2 2 344.459 2.444 10 0 EEAELP CC[NH+](CC)C[C@H]1CC[N@@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743388617 577884476 /nfs/dbraw/zinc/88/44/76/577884476.db2.gz UOTWTGISWTURMV-OAHLLOKOSA-N 2 2 344.459 2.444 10 0 EEAELP CCC[N@H+](C)C[C@H]1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743393025 577884568 /nfs/dbraw/zinc/88/45/68/577884568.db2.gz HCIJYRWQOGCENJ-OAHLLOKOSA-N 2 2 344.459 2.444 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743393025 577884569 /nfs/dbraw/zinc/88/45/69/577884569.db2.gz HCIJYRWQOGCENJ-OAHLLOKOSA-N 2 2 344.459 2.444 10 0 EEAELP CCC[NH+](C)C[C@H]1CC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743393025 577884570 /nfs/dbraw/zinc/88/45/70/577884570.db2.gz HCIJYRWQOGCENJ-OAHLLOKOSA-N 2 2 344.459 2.444 10 0 EEAELP CCC[NH+](C)C[C@H]1CC[N@@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743393025 577884571 /nfs/dbraw/zinc/88/45/71/577884571.db2.gz HCIJYRWQOGCENJ-OAHLLOKOSA-N 2 2 344.459 2.444 10 0 EEAELP Brc1cnn(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000926415231 678509936 /nfs/dbraw/zinc/50/99/36/678509936.db2.gz QGBJESZDKZKDGK-KGLIPLIRSA-N 2 2 327.270 2.252 10 0 EEAELP Brc1cnn(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000926415231 678509940 /nfs/dbraw/zinc/50/99/40/678509940.db2.gz QGBJESZDKZKDGK-KGLIPLIRSA-N 2 2 327.270 2.252 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CCCCc2ccccc2)C1 ZINC001485529237 1191821404 /nfs/dbraw/zinc/82/14/04/1191821404.db2.gz CVEPEBYRFBEMKS-MRXNPFEDSA-N 2 2 340.471 2.412 10 0 EEAELP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001485669692 1191889439 /nfs/dbraw/zinc/88/94/39/1191889439.db2.gz IKKXIMGLCUWBSP-KDURUIRLSA-N 2 2 332.492 2.323 10 0 EEAELP CCCCC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001485669692 1191889442 /nfs/dbraw/zinc/88/94/42/1191889442.db2.gz IKKXIMGLCUWBSP-KDURUIRLSA-N 2 2 332.492 2.323 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ncccn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485727543 1191919643 /nfs/dbraw/zinc/91/96/43/1191919643.db2.gz MIHVQIPUIUGRDO-ZDUSSCGKSA-N 2 2 338.415 2.041 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(Cl)cc1F)C(=O)Cn1cc[nH+]c1 ZINC001670365631 1176468291 /nfs/dbraw/zinc/46/82/91/1176468291.db2.gz XPRPAEUXCAWQQO-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP CC/C=C\CC[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266414524 1176505734 /nfs/dbraw/zinc/50/57/34/1176505734.db2.gz DQMWGCDCODCILK-NMBNSIPYSA-N 2 2 330.476 2.286 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001691108326 1177586087 /nfs/dbraw/zinc/58/60/87/1177586087.db2.gz GDSMHLBCMDTRFO-GOSISDBHSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001691108326 1177586089 /nfs/dbraw/zinc/58/60/89/1177586089.db2.gz GDSMHLBCMDTRFO-GOSISDBHSA-N 2 2 330.476 2.434 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001266885326 1177705127 /nfs/dbraw/zinc/70/51/27/1177705127.db2.gz DPTDSQHFYGTPNM-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001266885326 1177705132 /nfs/dbraw/zinc/70/51/32/1177705132.db2.gz DPTDSQHFYGTPNM-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001266885326 1177705137 /nfs/dbraw/zinc/70/51/37/1177705137.db2.gz DPTDSQHFYGTPNM-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001266885326 1177705142 /nfs/dbraw/zinc/70/51/42/1177705142.db2.gz DPTDSQHFYGTPNM-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP CCc1cnc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)o1 ZINC001267027156 1178114311 /nfs/dbraw/zinc/11/43/11/1178114311.db2.gz VLYNBILGRVYZGY-INIZCTEOSA-N 2 2 348.491 2.194 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001267041106 1178136793 /nfs/dbraw/zinc/13/67/93/1178136793.db2.gz LKJMJJPUJGBPEQ-MRXNPFEDSA-N 2 2 330.476 2.000 10 0 EEAELP CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)CCc1[nH+]ccn1C ZINC001267407485 1178979843 /nfs/dbraw/zinc/97/98/43/1178979843.db2.gz UNGQFXBMKLRMKE-UHFFFAOYSA-N 2 2 340.427 2.347 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1c(C)cc(C)cc1C ZINC001481020223 1179511516 /nfs/dbraw/zinc/51/15/16/1179511516.db2.gz JUEVORLQNQIQEY-UHFFFAOYSA-N 2 2 328.460 2.447 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1c(C)cc(C)cc1C ZINC001481020223 1179511519 /nfs/dbraw/zinc/51/15/19/1179511519.db2.gz JUEVORLQNQIQEY-UHFFFAOYSA-N 2 2 328.460 2.447 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC001267633859 1180058701 /nfs/dbraw/zinc/05/87/01/1180058701.db2.gz RXRVUYBMQKDEOV-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC001267633859 1180058703 /nfs/dbraw/zinc/05/87/03/1180058703.db2.gz RXRVUYBMQKDEOV-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)CCn1cc[nH+]c1 ZINC001481264038 1180511519 /nfs/dbraw/zinc/51/15/19/1180511519.db2.gz JNEJVYSVUOOWKP-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268070199 1181667490 /nfs/dbraw/zinc/66/74/90/1181667490.db2.gz CYHAUENJOBJBGI-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268075756 1181675378 /nfs/dbraw/zinc/67/53/78/1181675378.db2.gz MRBPKYWEBWWHNJ-OAHLLOKOSA-N 2 2 346.450 2.171 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@H](C)[C@H]3C[NH2+]CCF)ccn12 ZINC001268187735 1181977071 /nfs/dbraw/zinc/97/70/71/1181977071.db2.gz ULXTWWARNYGLBD-XJKSGUPXSA-N 2 2 332.423 2.443 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1C[NH+](Cc2cccc(F)c2Cl)C1 ZINC001481659171 1182156343 /nfs/dbraw/zinc/15/63/43/1182156343.db2.gz ZVHXVWZLLLANNS-UHFFFAOYSA-N 2 2 339.842 2.123 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]CC[C@H]3CCCO3)ccn12 ZINC001268364269 1182335776 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ZINC001485218559 1191689944 /nfs/dbraw/zinc/68/99/44/1191689944.db2.gz VMCPZDVNWYOWLW-GHMZBOCLSA-N 2 2 334.386 2.476 10 0 EEAELP CCOCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001486148734 1193699422 /nfs/dbraw/zinc/69/94/22/1193699422.db2.gz UHPATYLZBMZOMC-SZVBFZGTSA-N 2 2 348.491 2.128 10 0 EEAELP CCOCCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001486148734 1193699424 /nfs/dbraw/zinc/69/94/24/1193699424.db2.gz UHPATYLZBMZOMC-SZVBFZGTSA-N 2 2 348.491 2.128 10 0 EEAELP CCOCCC[N@@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001486148734 1193699426 /nfs/dbraw/zinc/69/94/26/1193699426.db2.gz UHPATYLZBMZOMC-SZVBFZGTSA-N 2 2 348.491 2.128 10 0 EEAELP CCOCCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001486148734 1193699427 /nfs/dbraw/zinc/69/94/27/1193699427.db2.gz UHPATYLZBMZOMC-SZVBFZGTSA-N 2 2 348.491 2.128 10 0 EEAELP CN(C(=O)CCc1[nH+]ccn1C)C1CC([NH2+]CC2=CCCCC2)C1 ZINC001486472159 1193985988 /nfs/dbraw/zinc/98/59/88/1193985988.db2.gz ABHFGLWJXKGUHS-UHFFFAOYSA-N 2 2 330.476 2.432 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)sc1C ZINC001273067327 1194365780 /nfs/dbraw/zinc/36/57/80/1194365780.db2.gz PDRAHOALBFAJIL-RYUDHWBXSA-N 2 2 349.504 2.346 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)sc1C ZINC001273067327 1194365785 /nfs/dbraw/zinc/36/57/85/1194365785.db2.gz PDRAHOALBFAJIL-RYUDHWBXSA-N 2 2 349.504 2.346 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)o1 ZINC001410015540 1197229034 /nfs/dbraw/zinc/22/90/34/1197229034.db2.gz IUDSQMODMKVVKF-HUUCEWRRSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)o1 ZINC001410015540 1197229036 /nfs/dbraw/zinc/22/90/36/1197229036.db2.gz IUDSQMODMKVVKF-HUUCEWRRSA-N 2 2 348.491 2.355 10 0 EEAELP C[C@@H](CC[NH2+]Cc1csc(C(C)(C)C)n1)NC(=O)Cn1cc[nH+]c1 ZINC001273212016 1197559144 /nfs/dbraw/zinc/55/91/44/1197559144.db2.gz DVMWSQIOESMFRE-ZDUSSCGKSA-N 2 2 349.504 2.322 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001410152296 1197573035 /nfs/dbraw/zinc/57/30/35/1197573035.db2.gz KTEHSSVOSLUQTF-NNZMDNLPSA-N 2 2 330.476 2.148 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001410152296 1197573037 /nfs/dbraw/zinc/57/30/37/1197573037.db2.gz KTEHSSVOSLUQTF-NNZMDNLPSA-N 2 2 330.476 2.148 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1cccc(F)c1 ZINC001410387679 1197785216 /nfs/dbraw/zinc/78/52/16/1197785216.db2.gz QGUADRMJEGDWKC-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CCc2ccns2)c[nH+]1 ZINC001410389925 1197789362 /nfs/dbraw/zinc/78/93/62/1197789362.db2.gz HJAUTHCXUMWOQJ-CYBMUJFWSA-N 2 2 349.504 2.062 10 0 EEAELP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865525391 1198259857 /nfs/dbraw/zinc/25/98/57/1198259857.db2.gz ZSSTXPIGCYBFSH-FQEVSTJZSA-N 2 2 340.471 2.465 10 0 EEAELP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865525391 1198259863 /nfs/dbraw/zinc/25/98/63/1198259863.db2.gz ZSSTXPIGCYBFSH-FQEVSTJZSA-N 2 2 340.471 2.465 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1c(F)cccc1F ZINC001411022018 1198696703 /nfs/dbraw/zinc/69/67/03/1198696703.db2.gz BEWACXPUTKAYQX-GUYCJALGSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1c(F)cccc1F ZINC001411022018 1198696708 /nfs/dbraw/zinc/69/67/08/1198696708.db2.gz BEWACXPUTKAYQX-GUYCJALGSA-N 2 2 339.430 2.386 10 0 EEAELP Cc1cc(C)c(NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC001411275535 1199048548 /nfs/dbraw/zinc/04/85/48/1199048548.db2.gz RCOKXLLKUPETRF-DLBZAZTESA-N 2 2 341.459 2.414 10 0 EEAELP Cc1cc(C)c(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC001411275535 1199048556 /nfs/dbraw/zinc/04/85/56/1199048556.db2.gz RCOKXLLKUPETRF-DLBZAZTESA-N 2 2 341.459 2.414 10 0 EEAELP CC(C)[C@H](C[NH2+][C@H]1c2ccccc2OC[C@H]1F)N1CC[NH+](C)CC1 ZINC000866227300 1201470921 /nfs/dbraw/zinc/47/09/21/1201470921.db2.gz SGRXBXWOBVDWAR-AOIWGVFYSA-N 2 2 335.467 2.320 10 0 EEAELP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)[C@]12C[C@H]1CCCC2 ZINC000866456336 1201522125 /nfs/dbraw/zinc/52/21/25/1201522125.db2.gz UDOVBTIMIZQDFX-NSHGMRRFSA-N 2 2 335.536 2.341 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(C(C)(C)C)cs1 ZINC000869243604 1201972899 /nfs/dbraw/zinc/97/28/99/1201972899.db2.gz SFGMIXWABZCYAU-UHFFFAOYSA-N 2 2 326.510 2.054 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(C(C)(C)C)cs1 ZINC000869243604 1201972902 /nfs/dbraw/zinc/97/29/02/1201972902.db2.gz SFGMIXWABZCYAU-UHFFFAOYSA-N 2 2 326.510 2.054 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884470699 1202322594 /nfs/dbraw/zinc/32/25/94/1202322594.db2.gz XTNGAJXQSGOGRA-UYAOXDASSA-N 2 2 348.450 2.341 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884470699 1202322595 /nfs/dbraw/zinc/32/25/95/1202322595.db2.gz XTNGAJXQSGOGRA-UYAOXDASSA-N 2 2 348.450 2.341 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001274533979 1205069936 /nfs/dbraw/zinc/06/99/36/1205069936.db2.gz HKAJFBNQNNEETC-PYLYLYNFSA-N 2 2 340.418 2.348 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CCn1cc[nH+]c1 ZINC001275251332 1205290876 /nfs/dbraw/zinc/29/08/76/1205290876.db2.gz NJDPBMZUMNIVFI-KBPBESRZSA-N 2 2 328.407 2.193 10 0 EEAELP COCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001275451164 1205365781 /nfs/dbraw/zinc/36/57/81/1205365781.db2.gz IIKMILZBUILWQP-GJZGRUSLSA-N 2 2 330.432 2.005 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001275458659 1205370022 /nfs/dbraw/zinc/37/00/22/1205370022.db2.gz CBHHBIICNPNIQM-CABCVRRESA-N 2 2 339.443 2.438 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000924387173 1205967570 /nfs/dbraw/zinc/96/75/70/1205967570.db2.gz LGKGDTHJMDCRSN-LZLYRXPVSA-N 2 2 336.524 2.090 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000924387173 1205967571 /nfs/dbraw/zinc/96/75/71/1205967571.db2.gz LGKGDTHJMDCRSN-LZLYRXPVSA-N 2 2 336.524 2.090 10 0 EEAELP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925623037 1206136994 /nfs/dbraw/zinc/13/69/94/1206136994.db2.gz OHWMZOMGAVNQGL-WSTZPKSXSA-N 3 2 331.504 2.119 10 0 EEAELP CC1(C)C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925623037 1206136997 /nfs/dbraw/zinc/13/69/97/1206136997.db2.gz OHWMZOMGAVNQGL-WSTZPKSXSA-N 3 2 331.504 2.119 10 0 EEAELP Nc1cc[nH+]c2c1C[N@@H+](CCC(=O)NCc1ccccc1Cl)CC2 ZINC000931508607 1207400677 /nfs/dbraw/zinc/40/06/77/1207400677.db2.gz JOXMEGYSTASABF-UHFFFAOYSA-N 2 2 344.846 2.382 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000796577124 1221421476 /nfs/dbraw/zinc/42/14/76/1221421476.db2.gz ZKORRFAEJGDCDE-UHFFFAOYSA-N 2 2 341.440 2.417 10 0 EEAELP CC[N@H+](CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(C)C ZINC000900697859 1234672964 /nfs/dbraw/zinc/67/29/64/1234672964.db2.gz FBMNWERPBNVSQG-UHFFFAOYSA-N 2 2 343.475 2.455 10 0 EEAELP CC[N@@H+](CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C(C)C ZINC000900697859 1234672966 /nfs/dbraw/zinc/67/29/66/1234672966.db2.gz FBMNWERPBNVSQG-UHFFFAOYSA-N 2 2 343.475 2.455 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000900833026 1234880631 /nfs/dbraw/zinc/88/06/31/1234880631.db2.gz OSMDRNSUAOWQSQ-YJBOKZPZSA-N 2 2 341.459 2.208 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000900833026 1234880633 /nfs/dbraw/zinc/88/06/33/1234880633.db2.gz OSMDRNSUAOWQSQ-YJBOKZPZSA-N 2 2 341.459 2.208 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001273660175 1282570275 /nfs/dbraw/zinc/57/02/75/1282570275.db2.gz GOFABXCIRGVOHK-UHFFFAOYSA-N 2 2 347.503 2.044 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1Cc1cccc(Cl)c1)C(=O)C[NH+]1CCCC1 ZINC001488690988 1290132735 /nfs/dbraw/zinc/13/27/35/1290132735.db2.gz 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CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000852211982 1292042583 /nfs/dbraw/zinc/04/25/83/1292042583.db2.gz YIYQKRKYRAQFIK-ROUUACIJSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000852211982 1292042592 /nfs/dbraw/zinc/04/25/92/1292042592.db2.gz YIYQKRKYRAQFIK-ROUUACIJSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000852211982 1292042603 /nfs/dbraw/zinc/04/26/03/1292042603.db2.gz YIYQKRKYRAQFIK-ROUUACIJSA-N 2 2 340.895 2.325 10 0 EEAELP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000858473804 1294127030 /nfs/dbraw/zinc/12/70/30/1294127030.db2.gz SIJPPKGACLCBRJ-UWWQBHOKSA-N 2 2 329.444 2.143 10 0 EEAELP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000858473804 1294127035 /nfs/dbraw/zinc/12/70/35/1294127035.db2.gz SIJPPKGACLCBRJ-UWWQBHOKSA-N 2 2 329.444 2.143 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc4scnc43)C2)CC1 ZINC000859337810 1294399018 /nfs/dbraw/zinc/39/90/18/1294399018.db2.gz REKAGRDVDPLCLU-CYBMUJFWSA-N 2 2 344.484 2.195 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc4scnc43)C2)CC1 ZINC000859337810 1294399031 /nfs/dbraw/zinc/39/90/31/1294399031.db2.gz REKAGRDVDPLCLU-CYBMUJFWSA-N 2 2 344.484 2.195 10 0 EEAELP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000864970563 1296598957 /nfs/dbraw/zinc/59/89/57/1296598957.db2.gz SMTZJKDLINGYFR-YXJHDRRASA-N 2 2 342.443 2.127 10 0 EEAELP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000864970563 1296598968 /nfs/dbraw/zinc/59/89/68/1296598968.db2.gz SMTZJKDLINGYFR-YXJHDRRASA-N 2 2 342.443 2.127 10 0 EEAELP CCC1([NH+]2CCC2)CC[NH+](Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000886711154 1296673658 /nfs/dbraw/zinc/67/36/58/1296673658.db2.gz NVMUIEOANVVFFR-UHFFFAOYSA-N 2 2 331.460 2.001 10 0 EEAELP O[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cn1 ZINC000799324246 1305225741 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2 336.480 2.218 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccon2)C1)[NH+](CC)CC ZINC001438263566 1090746233 /nfs/dbraw/zinc/74/62/33/1090746233.db2.gz GWFNMZPXHDEOCN-DLBZAZTESA-N 2 2 336.480 2.218 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@@H]1C ZINC001438432758 1090934018 /nfs/dbraw/zinc/93/40/18/1090934018.db2.gz QNNLLPVOPONVGR-UGSOOPFHSA-N 2 2 345.447 2.104 10 0 EEAELP Cc1nocc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001438665420 1091154038 /nfs/dbraw/zinc/15/40/38/1091154038.db2.gz NGQXUGFACDZQGW-YOEHRIQHSA-N 2 2 347.463 2.403 10 0 EEAELP C[C@H](C[NH2+]Cc1csc(C(C)(C)C)n1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001438685721 1091184834 /nfs/dbraw/zinc/18/48/34/1091184834.db2.gz ARMFXGRMAOEDBZ-GFCCVEGCSA-N 2 2 349.504 2.343 10 0 EEAELP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001438901255 1091559068 /nfs/dbraw/zinc/55/90/68/1091559068.db2.gz ZFDIFIADMHJXHQ-MRXNPFEDSA-N 2 2 332.492 2.272 10 0 EEAELP CN(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001438901255 1091559069 /nfs/dbraw/zinc/55/90/69/1091559069.db2.gz ZFDIFIADMHJXHQ-MRXNPFEDSA-N 2 2 332.492 2.272 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2nc(C)cs2)CC[N@@H+]1C ZINC001445739995 1091566588 /nfs/dbraw/zinc/56/65/88/1091566588.db2.gz DXJWZGDLWFXEJR-AEGPPILISA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2nc(C)cs2)CC[N@H+]1C ZINC001445739995 1091566591 /nfs/dbraw/zinc/56/65/91/1091566591.db2.gz DXJWZGDLWFXEJR-AEGPPILISA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc2nc(C)cs2)CC[NH+]1C ZINC001445739995 1091566595 /nfs/dbraw/zinc/56/65/95/1091566595.db2.gz DXJWZGDLWFXEJR-AEGPPILISA-N 2 2 338.521 2.118 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc2nc(C)cs2)CC[NH+]1C ZINC001445739995 1091566599 /nfs/dbraw/zinc/56/65/99/1091566599.db2.gz DXJWZGDLWFXEJR-AEGPPILISA-N 2 2 338.521 2.118 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445859704 1091779005 /nfs/dbraw/zinc/77/90/05/1091779005.db2.gz YDZHGTGOZODPMG-GJZGRUSLSA-N 2 2 344.459 2.169 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445859704 1091779006 /nfs/dbraw/zinc/77/90/06/1091779006.db2.gz YDZHGTGOZODPMG-GJZGRUSLSA-N 2 2 344.459 2.169 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001439236631 1091883972 /nfs/dbraw/zinc/88/39/72/1091883972.db2.gz OPZGBSFQPFJYCJ-LSDHHAIUSA-N 2 2 330.432 2.137 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001439576253 1092469032 /nfs/dbraw/zinc/46/90/32/1092469032.db2.gz RQJBCSLGVAEDTI-KRWDZBQOSA-N 2 2 330.476 2.124 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001439576253 1092469037 /nfs/dbraw/zinc/46/90/37/1092469037.db2.gz RQJBCSLGVAEDTI-KRWDZBQOSA-N 2 2 330.476 2.124 10 0 EEAELP Cc1nocc1C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001439908624 1092974493 /nfs/dbraw/zinc/97/44/93/1092974493.db2.gz YVUXQICCISRQFV-GOSISDBHSA-N 2 2 345.447 2.012 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@H+](CCCF)CCC1(F)F ZINC001439974384 1093091648 /nfs/dbraw/zinc/09/16/48/1093091648.db2.gz QIKACNRRYKGLEK-QWHCGFSZSA-N 2 2 346.397 2.021 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1C[N@@H+](CCCF)CCC1(F)F ZINC001439974384 1093091656 /nfs/dbraw/zinc/09/16/56/1093091656.db2.gz QIKACNRRYKGLEK-QWHCGFSZSA-N 2 2 346.397 2.021 10 0 EEAELP Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)sn1 ZINC001440326878 1093469506 /nfs/dbraw/zinc/46/95/06/1093469506.db2.gz QSPUYYKUNKEIDH-BNOWGMLFSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)sn1 ZINC001440326878 1093469509 /nfs/dbraw/zinc/46/95/09/1093469509.db2.gz QSPUYYKUNKEIDH-BNOWGMLFSA-N 2 2 347.488 2.038 10 0 EEAELP C[C@H](CC(=O)NC1(C[NH2+]CC2CC(C)C2)CCOCC1)n1cc[nH+]c1 ZINC001440571574 1093840196 /nfs/dbraw/zinc/84/01/96/1093840196.db2.gz AEKYQNFVDPGPAR-AQFXKWCLSA-N 2 2 348.491 2.135 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001440626815 1093897496 /nfs/dbraw/zinc/89/74/96/1093897496.db2.gz MWVPKVZOXLBQPY-BFYDXBDKSA-N 2 2 348.491 2.155 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001440626815 1093897500 /nfs/dbraw/zinc/89/75/00/1093897500.db2.gz MWVPKVZOXLBQPY-BFYDXBDKSA-N 2 2 348.491 2.155 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001440626815 1093897501 /nfs/dbraw/zinc/89/75/01/1093897501.db2.gz MWVPKVZOXLBQPY-BFYDXBDKSA-N 2 2 348.491 2.155 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001440626815 1093897506 /nfs/dbraw/zinc/89/75/06/1093897506.db2.gz MWVPKVZOXLBQPY-BFYDXBDKSA-N 2 2 348.491 2.155 10 0 EEAELP Cc1nc(C[NH2+]CC2CC(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)cs1 ZINC001440758254 1094000742 /nfs/dbraw/zinc/00/07/42/1094000742.db2.gz CRADFPQRWYWLSM-LRVUVFPRSA-N 2 2 347.488 2.284 10 0 EEAELP CCc1ccc(CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001440855991 1094116367 /nfs/dbraw/zinc/11/63/67/1094116367.db2.gz VBVGTNQEWKKRQM-HOTGVXAUSA-N 2 2 328.460 2.171 10 0 EEAELP COC[C@@H](C)[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001449255296 1094202724 /nfs/dbraw/zinc/20/27/24/1094202724.db2.gz WWJGGPGGGGWUAU-CQSZACIVSA-N 2 2 332.448 2.380 10 0 EEAELP COC[C@@H](C)[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001449255296 1094202726 /nfs/dbraw/zinc/20/27/26/1094202726.db2.gz WWJGGPGGGGWUAU-CQSZACIVSA-N 2 2 332.448 2.380 10 0 EEAELP CC(C)OCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001441156481 1094499833 /nfs/dbraw/zinc/49/98/33/1094499833.db2.gz MTXDRUPNEFXKDK-IRXDYDNUSA-N 2 2 348.491 2.230 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001441371450 1094903109 /nfs/dbraw/zinc/90/31/09/1094903109.db2.gz CNYGSHHNIKXKKI-SAABIXHNSA-N 2 2 340.471 2.346 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001441634017 1095531319 /nfs/dbraw/zinc/53/13/19/1095531319.db2.gz HYFAJIVNPRKPBQ-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CC1CC2(CCC2)C1 ZINC001441634017 1095531325 /nfs/dbraw/zinc/53/13/25/1095531325.db2.gz HYFAJIVNPRKPBQ-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001441653955 1095614153 /nfs/dbraw/zinc/61/41/53/1095614153.db2.gz RJJHWZZEBKJKCZ-ZDUSSCGKSA-N 2 2 347.463 2.019 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001441861291 1095964455 /nfs/dbraw/zinc/96/44/55/1095964455.db2.gz CXFXFLKRJGCBLZ-RDJZCZTQSA-N 2 2 326.444 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001442013114 1096219126 /nfs/dbraw/zinc/21/91/26/1096219126.db2.gz BCLOJYHOPWFQQB-HWPZZCPQSA-N 2 2 348.397 2.321 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001442068977 1096280186 /nfs/dbraw/zinc/28/01/86/1096280186.db2.gz SAJKGPCXDURAKF-LSDHHAIUSA-N 2 2 336.480 2.267 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001442068977 1096280188 /nfs/dbraw/zinc/28/01/88/1096280188.db2.gz SAJKGPCXDURAKF-LSDHHAIUSA-N 2 2 336.480 2.267 10 0 EEAELP CC(C)N(CC[N@H+](C)CC1CC(F)(F)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001442127706 1096367191 /nfs/dbraw/zinc/36/71/91/1096367191.db2.gz XINNLSFLLSVTSK-UHFFFAOYSA-N 2 2 328.407 2.166 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC1CC(F)(F)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001442127706 1096367199 /nfs/dbraw/zinc/36/71/99/1096367199.db2.gz XINNLSFLLSVTSK-UHFFFAOYSA-N 2 2 328.407 2.166 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001442818973 1097205809 /nfs/dbraw/zinc/20/58/09/1097205809.db2.gz CHEQEEPAKYODEP-QGZVFWFLSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001442818973 1097205813 /nfs/dbraw/zinc/20/58/13/1097205813.db2.gz CHEQEEPAKYODEP-QGZVFWFLSA-N 2 2 337.414 2.141 10 0 EEAELP Cc1ccc(CC[N@@H+](C)C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001443328455 1097833428 /nfs/dbraw/zinc/83/34/28/1097833428.db2.gz AQABVULXKNGBPG-IBGZPJMESA-N 2 2 340.471 2.215 10 0 EEAELP Cc1ccc(CC[N@H+](C)C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001443328455 1097833437 /nfs/dbraw/zinc/83/34/37/1097833437.db2.gz AQABVULXKNGBPG-IBGZPJMESA-N 2 2 340.471 2.215 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC001443885158 1098412260 /nfs/dbraw/zinc/41/22/60/1098412260.db2.gz WXVSDUBIFQTXFN-INIZCTEOSA-N 2 2 348.491 2.315 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1 ZINC001443885158 1098412265 /nfs/dbraw/zinc/41/22/65/1098412265.db2.gz WXVSDUBIFQTXFN-INIZCTEOSA-N 2 2 348.491 2.315 10 0 EEAELP CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001443885158 1098412270 /nfs/dbraw/zinc/41/22/70/1098412270.db2.gz WXVSDUBIFQTXFN-INIZCTEOSA-N 2 2 348.491 2.315 10 0 EEAELP CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](Cc2ncc(C3CC3)o2)C1 ZINC001443885158 1098412274 /nfs/dbraw/zinc/41/22/74/1098412274.db2.gz WXVSDUBIFQTXFN-INIZCTEOSA-N 2 2 348.491 2.315 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1C ZINC001443955491 1098475090 /nfs/dbraw/zinc/47/50/90/1098475090.db2.gz PIEDILWOVCJPAM-ZWKOTPCHSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+]1CCCCCF ZINC001479711492 1098790248 /nfs/dbraw/zinc/79/02/48/1098790248.db2.gz WZCMBDRAOLQJOJ-OAGGEKHMSA-N 2 2 336.455 2.164 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+]1CCCCCF ZINC001479711492 1098790260 /nfs/dbraw/zinc/79/02/60/1098790260.db2.gz WZCMBDRAOLQJOJ-OAGGEKHMSA-N 2 2 336.455 2.164 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)CCCn2cc[nH+]c2)s1 ZINC001444721791 1099591794 /nfs/dbraw/zinc/59/17/94/1099591794.db2.gz FWCZAUGUFCDBMG-ZDUSSCGKSA-N 2 2 335.477 2.065 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)c(C)n1 ZINC001480238838 1099869292 /nfs/dbraw/zinc/86/92/92/1099869292.db2.gz DLMXAHHJFPVVAW-HDICACEKSA-N 2 2 341.459 2.112 10 0 EEAELP Cc1cnc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001480331252 1100088436 /nfs/dbraw/zinc/08/84/36/1100088436.db2.gz LEZIACSMFKUFFW-HNNXBMFYSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)s1 ZINC001480331252 1100088447 /nfs/dbraw/zinc/08/84/47/1100088447.db2.gz LEZIACSMFKUFFW-HNNXBMFYSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)s1 ZINC001480331252 1100088468 /nfs/dbraw/zinc/08/84/68/1100088468.db2.gz LEZIACSMFKUFFW-HNNXBMFYSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001480488933 1100299686 /nfs/dbraw/zinc/29/96/86/1100299686.db2.gz BSTANTHYEKCGPZ-HUUCEWRRSA-N 2 2 344.434 2.188 10 0 EEAELP CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001480489297 1100301726 /nfs/dbraw/zinc/30/17/26/1100301726.db2.gz HDBJTTMORRRYII-QAPCUYQASA-N 2 2 340.471 2.302 10 0 EEAELP CN(C(=O)CCC[NH+](C)C)C1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001446381061 1100765025 /nfs/dbraw/zinc/76/50/25/1100765025.db2.gz NRXRAEFHTDBULW-UHFFFAOYSA-N 2 2 329.488 2.160 10 0 EEAELP CC[C@@H](C(=O)N(C)C1C[NH+](Cc2ccc(OC)cc2)C1)[NH+](CC)CC ZINC001446388175 1100777048 /nfs/dbraw/zinc/77/70/48/1100777048.db2.gz VONNLHZMVCWNAA-IBGZPJMESA-N 2 2 347.503 2.458 10 0 EEAELP CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CCCC1 ZINC001446489542 1100928300 /nfs/dbraw/zinc/92/83/00/1100928300.db2.gz MGYLDNTWDUZEDH-DLBZAZTESA-N 2 2 333.480 2.075 10 0 EEAELP CC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CCCC1 ZINC001446489542 1100928307 /nfs/dbraw/zinc/92/83/07/1100928307.db2.gz MGYLDNTWDUZEDH-DLBZAZTESA-N 2 2 333.480 2.075 10 0 EEAELP C[C@](C[NH2+]C/C=C/Cl)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001495254679 1100951432 /nfs/dbraw/zinc/95/14/32/1100951432.db2.gz MWYKHBUAFKCPGU-HDYAKOIESA-N 2 2 336.867 2.073 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CCC[C@H]1CCOC1 ZINC001495705130 1101462139 /nfs/dbraw/zinc/46/21/39/1101462139.db2.gz LYRMZDAJVBQNBE-CVEARBPZSA-N 2 2 344.459 2.107 10 0 EEAELP CCO[C@@H](C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001447311983 1102429631 /nfs/dbraw/zinc/42/96/31/1102429631.db2.gz VZAOWSQDCOXJHZ-AEFFLSMTSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@@H](C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001447311983 1102429633 /nfs/dbraw/zinc/42/96/33/1102429633.db2.gz VZAOWSQDCOXJHZ-AEFFLSMTSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@@H](C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001447311983 1102429634 /nfs/dbraw/zinc/42/96/34/1102429634.db2.gz VZAOWSQDCOXJHZ-AEFFLSMTSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@@H](C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001447311983 1102429641 /nfs/dbraw/zinc/42/96/41/1102429641.db2.gz VZAOWSQDCOXJHZ-AEFFLSMTSA-N 2 2 348.491 2.128 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)CCc1c[nH+]c[nH]1 ZINC001497405638 1102439957 /nfs/dbraw/zinc/43/99/57/1102439957.db2.gz ZOBXGSCPWUWDKS-UHFFFAOYSA-N 2 2 335.839 2.029 10 0 EEAELP CCN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001497460707 1102523772 /nfs/dbraw/zinc/52/37/72/1102523772.db2.gz QVOSHPCNLUZALH-UHFFFAOYSA-N 2 2 334.851 2.286 10 0 EEAELP CN(CCC[N@H+](C)Cc1coc(C2CC2)n1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001447369505 1102539506 /nfs/dbraw/zinc/53/95/06/1102539506.db2.gz DFLKLESLBMPLKL-HNNXBMFYSA-N 2 2 348.491 2.174 10 0 EEAELP CN(CCC[N@@H+](C)Cc1coc(C2CC2)n1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001447369505 1102539514 /nfs/dbraw/zinc/53/95/14/1102539514.db2.gz DFLKLESLBMPLKL-HNNXBMFYSA-N 2 2 348.491 2.174 10 0 EEAELP CN(CCC[NH+](C)Cc1coc(C2CC2)n1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001447369505 1102539525 /nfs/dbraw/zinc/53/95/25/1102539525.db2.gz DFLKLESLBMPLKL-HNNXBMFYSA-N 2 2 348.491 2.174 10 0 EEAELP CN(CCC[NH+](C)Cc1coc(C2CC2)n1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001447369505 1102539535 /nfs/dbraw/zinc/53/95/35/1102539535.db2.gz DFLKLESLBMPLKL-HNNXBMFYSA-N 2 2 348.491 2.174 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)Cn2cc[nH+]c2)cc1C ZINC001447372500 1102546978 /nfs/dbraw/zinc/54/69/78/1102546978.db2.gz KJVXIWNEICQJJA-UHFFFAOYSA-N 2 2 328.460 2.480 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCN(C)C(=O)Cn2cc[nH+]c2)cc1C ZINC001447372500 1102546987 /nfs/dbraw/zinc/54/69/87/1102546987.db2.gz KJVXIWNEICQJJA-UHFFFAOYSA-N 2 2 328.460 2.480 10 0 EEAELP CCC1([NH2+]C[C@@H](OC)C2CCC2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001447432016 1102642496 /nfs/dbraw/zinc/64/24/96/1102642496.db2.gz JEERIWUHPYKONN-QGZVFWFLSA-N 2 2 348.491 2.059 10 0 EEAELP O=C(NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497602657 1102732240 /nfs/dbraw/zinc/73/22/40/1102732240.db2.gz RLJNOJBJULGTRI-PCZSCAJFSA-N 2 2 338.402 2.211 10 0 EEAELP O=C(NC/C=C\C[NH2+]C[C@H]1CCC(F)(F)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497602657 1102732246 /nfs/dbraw/zinc/73/22/46/1102732246.db2.gz RLJNOJBJULGTRI-PCZSCAJFSA-N 2 2 338.402 2.211 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497683953 1102898565 /nfs/dbraw/zinc/89/85/65/1102898565.db2.gz ATVOMPFAMURRCE-PLNGDYQASA-N 2 2 341.459 2.241 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001497732725 1102981836 /nfs/dbraw/zinc/98/18/36/1102981836.db2.gz SUKLPNYPRQMSBH-PYLYLYNFSA-N 2 2 340.418 2.050 10 0 EEAELP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447766041 1103262417 /nfs/dbraw/zinc/26/24/17/1103262417.db2.gz CDFHSKSSMIFQHW-IRXDYDNUSA-N 2 2 339.524 2.066 10 0 EEAELP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001447766041 1103262427 /nfs/dbraw/zinc/26/24/27/1103262427.db2.gz CDFHSKSSMIFQHW-IRXDYDNUSA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001447766041 1103262433 /nfs/dbraw/zinc/26/24/33/1103262433.db2.gz CDFHSKSSMIFQHW-IRXDYDNUSA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001447766041 1103262445 /nfs/dbraw/zinc/26/24/45/1103262445.db2.gz CDFHSKSSMIFQHW-IRXDYDNUSA-N 2 2 339.524 2.066 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)o1 ZINC001497890385 1103266396 /nfs/dbraw/zinc/26/63/96/1103266396.db2.gz QFPPXYKLXWFMLH-PBHICJAKSA-N 2 2 348.491 2.374 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)o1 ZINC001497890385 1103266406 /nfs/dbraw/zinc/26/64/06/1103266406.db2.gz QFPPXYKLXWFMLH-PBHICJAKSA-N 2 2 348.491 2.374 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCc1ccccc1 ZINC001448047236 1103890183 /nfs/dbraw/zinc/89/01/83/1103890183.db2.gz OTAZTQVCBYNTJI-AEFFLSMTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCc1ccccc1 ZINC001448047236 1103890191 /nfs/dbraw/zinc/89/01/91/1103890191.db2.gz OTAZTQVCBYNTJI-AEFFLSMTSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001448094203 1103988437 /nfs/dbraw/zinc/98/84/37/1103988437.db2.gz QYMIQNJXBZIQEW-CHWSQXEVSA-N 2 2 333.436 2.076 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001448094203 1103988449 /nfs/dbraw/zinc/98/84/49/1103988449.db2.gz QYMIQNJXBZIQEW-CHWSQXEVSA-N 2 2 333.436 2.076 10 0 EEAELP CCn1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001448103281 1104007761 /nfs/dbraw/zinc/00/77/61/1104007761.db2.gz QLNCLQSLUCMVCB-IRXDYDNUSA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001448103281 1104007771 /nfs/dbraw/zinc/00/77/71/1104007771.db2.gz QLNCLQSLUCMVCB-IRXDYDNUSA-N 2 2 349.523 2.104 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001448147700 1104108636 /nfs/dbraw/zinc/10/86/36/1104108636.db2.gz YIXQJFIJRFMPAJ-YOEHRIQHSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001448147700 1104108642 /nfs/dbraw/zinc/10/86/42/1104108642.db2.gz YIXQJFIJRFMPAJ-YOEHRIQHSA-N 2 2 336.480 2.040 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCF ZINC001494654328 1104240214 /nfs/dbraw/zinc/24/02/14/1104240214.db2.gz OPCADTZHJJCMKH-IRXDYDNUSA-N 2 2 348.466 2.187 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCF ZINC001494654328 1104240220 /nfs/dbraw/zinc/24/02/20/1104240220.db2.gz OPCADTZHJJCMKH-IRXDYDNUSA-N 2 2 348.466 2.187 10 0 EEAELP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2c(F)cccc2Cl)C1 ZINC001448320382 1104384850 /nfs/dbraw/zinc/38/48/50/1104384850.db2.gz QDRUSNHFSKJCKC-GFCCVEGCSA-N 2 2 341.858 2.367 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](CCc2ccccc2Cl)C1 ZINC001448330836 1104406645 /nfs/dbraw/zinc/40/66/45/1104406645.db2.gz FLGAXALYGIJPHV-CQSZACIVSA-N 2 2 346.862 2.216 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)CCc1[nH+]ccn1C ZINC001498076658 1106890230 /nfs/dbraw/zinc/89/02/30/1106890230.db2.gz RGJLEGORGCTRSN-FSNWXROXSA-N 2 2 326.444 2.160 10 0 EEAELP C[C@H](C[N@H+](C)Cc1c(F)cccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498368444 1107402288 /nfs/dbraw/zinc/40/22/88/1107402288.db2.gz UWWLBIDIERRALC-CYBMUJFWSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1c(F)cccc1F)NC(=O)C1(C[NH+](C)C)CC1 ZINC001498368444 1107402292 /nfs/dbraw/zinc/40/22/92/1107402292.db2.gz UWWLBIDIERRALC-CYBMUJFWSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001498464790 1107581408 /nfs/dbraw/zinc/58/14/08/1107581408.db2.gz BOBFZZCNHUCOKZ-AWEZNQCLSA-N 2 2 334.851 2.216 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001498464790 1107581414 /nfs/dbraw/zinc/58/14/14/1107581414.db2.gz BOBFZZCNHUCOKZ-AWEZNQCLSA-N 2 2 334.851 2.216 10 0 EEAELP CCC[N@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@H]1CCOC1 ZINC001493291914 1107871729 /nfs/dbraw/zinc/87/17/29/1107871729.db2.gz VSSXKZVVETZLJM-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP CCC[N@@H+](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@H]1CCOC1 ZINC001493291914 1107871753 /nfs/dbraw/zinc/87/17/53/1107871753.db2.gz VSSXKZVVETZLJM-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP Cc1ncoc1C[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001499026565 1108473293 /nfs/dbraw/zinc/47/32/93/1108473293.db2.gz SIDGYDSNTKHOPR-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncoc1C[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001499026565 1108473300 /nfs/dbraw/zinc/47/33/00/1108473300.db2.gz SIDGYDSNTKHOPR-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001499026565 1108473308 /nfs/dbraw/zinc/47/33/08/1108473308.db2.gz SIDGYDSNTKHOPR-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001499026565 1108473313 /nfs/dbraw/zinc/47/33/13/1108473313.db2.gz SIDGYDSNTKHOPR-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001499050423 1108508033 /nfs/dbraw/zinc/50/80/33/1108508033.db2.gz ODECKHDUELMGIJ-TZMCWYRMSA-N 2 2 325.403 2.168 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001499050423 1108508042 /nfs/dbraw/zinc/50/80/42/1108508042.db2.gz ODECKHDUELMGIJ-TZMCWYRMSA-N 2 2 325.403 2.168 10 0 EEAELP CCc1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001479345998 1110684130 /nfs/dbraw/zinc/68/41/30/1110684130.db2.gz JRPPXEZLTWULLA-HDICACEKSA-N 2 2 326.444 2.130 10 0 EEAELP CC1CCC(C[NH+]2CC(N(C)C(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001499709626 1112453760 /nfs/dbraw/zinc/45/37/60/1112453760.db2.gz NOSOVBKIVGZLIG-UHFFFAOYSA-N 2 2 332.492 2.322 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001499936065 1112547587 /nfs/dbraw/zinc/54/75/87/1112547587.db2.gz URQOYZRFGMXMBG-KRWDZBQOSA-N 2 2 344.434 2.305 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2F)C1 ZINC001500240743 1112697622 /nfs/dbraw/zinc/69/76/22/1112697622.db2.gz IBOVZIACFIDJGM-GOSISDBHSA-N 2 2 330.407 2.111 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2F)C1 ZINC001500240743 1112697623 /nfs/dbraw/zinc/69/76/23/1112697623.db2.gz IBOVZIACFIDJGM-GOSISDBHSA-N 2 2 330.407 2.111 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001501149768 1113215698 /nfs/dbraw/zinc/21/56/98/1113215698.db2.gz GWKXGGFODYEGRL-VYDOYGDUSA-N 2 2 345.274 2.264 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1([NH2+]Cc2ncc(Cl)s2)CCC1 ZINC001502026521 1113563643 /nfs/dbraw/zinc/56/36/43/1113563643.db2.gz RLSAIOXQXRQGJJ-UHFFFAOYSA-N 2 2 342.896 2.021 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCc1ccccc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001505837119 1114224698 /nfs/dbraw/zinc/22/46/98/1114224698.db2.gz OLAJGSJBRMCOGG-UHFFFAOYSA-N 2 2 346.450 2.408 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)Cc1ccc(F)cc1 ZINC001505948924 1114295932 /nfs/dbraw/zinc/29/59/32/1114295932.db2.gz XRRVKOSAVWDIAI-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001505948924 1114295933 /nfs/dbraw/zinc/29/59/33/1114295933.db2.gz XRRVKOSAVWDIAI-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1ncsc1CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001506018336 1114348389 /nfs/dbraw/zinc/34/83/89/1114348389.db2.gz YRCCNEPBIJUZRZ-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001506018336 1114348391 /nfs/dbraw/zinc/34/83/91/1114348391.db2.gz YRCCNEPBIJUZRZ-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001506018336 1114348394 /nfs/dbraw/zinc/34/83/94/1114348394.db2.gz YRCCNEPBIJUZRZ-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001506018336 1114348397 /nfs/dbraw/zinc/34/83/97/1114348397.db2.gz YRCCNEPBIJUZRZ-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001506045731 1114372177 /nfs/dbraw/zinc/37/21/77/1114372177.db2.gz CINJTRWRPLISLN-SCLBCKFNSA-N 2 2 326.444 2.385 10 0 EEAELP 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ZINC001507396000 1115249981 /nfs/dbraw/zinc/24/99/81/1115249981.db2.gz ADSFLBWCWXQURF-SJORKVTESA-N 2 2 348.491 2.034 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@@H](C[NH2+]CCC2CCOCC2)C1 ZINC001507396000 1115249982 /nfs/dbraw/zinc/24/99/82/1115249982.db2.gz ADSFLBWCWXQURF-SJORKVTESA-N 2 2 348.491 2.034 10 0 EEAELP CC(C)N(CC[N@H+](C)CCC1CCCC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507778013 1115345088 /nfs/dbraw/zinc/34/50/88/1115345088.db2.gz ZHWPBBNACKRGQV-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCC1CCCC1)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001507778013 1115345089 /nfs/dbraw/zinc/34/50/89/1115345089.db2.gz ZHWPBBNACKRGQV-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)N(CC[NH+](C)CCC1CCCC1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001507778013 1115345093 /nfs/dbraw/zinc/34/50/93/1115345093.db2.gz ZHWPBBNACKRGQV-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)N(CC[NH+](C)CCC1CCCC1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001507778013 1115345098 /nfs/dbraw/zinc/34/50/98/1115345098.db2.gz ZHWPBBNACKRGQV-SFHVURJKSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001568063942 1124268997 /nfs/dbraw/zinc/26/89/97/1124268997.db2.gz UDSYCJYWINDBNP-CVEARBPZSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001568312710 1124416319 /nfs/dbraw/zinc/41/63/19/1124416319.db2.gz QEFKJIMBSVJQIH-JTQLQIEISA-N 2 2 333.263 2.443 10 0 EEAELP CC(C)C[C@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001568336033 1124424402 /nfs/dbraw/zinc/42/44/02/1124424402.db2.gz LQBLPWFNAQQHEY-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568644916 1124657232 /nfs/dbraw/zinc/65/72/32/1124657232.db2.gz XQWZZGUXJLYROL-APHBMKBZSA-N 2 2 330.407 2.337 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568644916 1124657235 /nfs/dbraw/zinc/65/72/35/1124657235.db2.gz XQWZZGUXJLYROL-APHBMKBZSA-N 2 2 330.407 2.337 10 0 EEAELP C[C@H](CC[NH2+]CC[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568645751 1124658555 /nfs/dbraw/zinc/65/85/55/1124658555.db2.gz KDTOZAKAIUIPMK-ZIAGYGMSSA-N 2 2 330.432 2.088 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568679008 1124690715 /nfs/dbraw/zinc/69/07/15/1124690715.db2.gz CYTZTGAYETYGOQ-IAOVAPTHSA-N 2 2 344.434 2.347 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001568931436 1124963700 /nfs/dbraw/zinc/96/37/00/1124963700.db2.gz AJZNCAWOSUQUMB-PYLYLYNFSA-N 2 2 330.407 2.190 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001568931436 1124963706 /nfs/dbraw/zinc/96/37/06/1124963706.db2.gz AJZNCAWOSUQUMB-PYLYLYNFSA-N 2 2 330.407 2.190 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001568940680 1124972758 /nfs/dbraw/zinc/97/27/58/1124972758.db2.gz YUCXKOQFHDZBPZ-UPHRSURJSA-N 2 2 334.370 2.352 10 0 EEAELP CC[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000071880828 202351710 /nfs/dbraw/zinc/35/17/10/202351710.db2.gz VUMPOIAZZCKIMW-HXUWFJFHSA-N 2 2 341.455 2.471 10 0 EEAELP CC[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000071880828 202351713 /nfs/dbraw/zinc/35/17/13/202351713.db2.gz VUMPOIAZZCKIMW-HXUWFJFHSA-N 2 2 341.455 2.471 10 0 EEAELP COc1c(C)c[nH+]c(CN(C)c2ncnc3c2C[N@H+](C)CC3)c1C ZINC000065465951 201153483 /nfs/dbraw/zinc/15/34/83/201153483.db2.gz JIADZMOGJNOYLO-UHFFFAOYSA-N 2 2 327.432 2.121 10 0 EEAELP COc1c(C)c[nH+]c(CN(C)c2ncnc3c2C[N@@H+](C)CC3)c1C ZINC000065465951 201153487 /nfs/dbraw/zinc/15/34/87/201153487.db2.gz JIADZMOGJNOYLO-UHFFFAOYSA-N 2 2 327.432 2.121 10 0 EEAELP CN(C)[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000422759787 240211401 /nfs/dbraw/zinc/21/14/01/240211401.db2.gz LMHVSEKBTJZAHT-SQNIBIBYSA-N 2 2 337.895 2.299 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccccc1Br ZINC000422835333 240251760 /nfs/dbraw/zinc/25/17/60/240251760.db2.gz YNHMDPLQVPNRDE-TZMCWYRMSA-N 2 2 327.266 2.348 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(O[C@H]2CCOC2)c1 ZINC000422882214 240274575 /nfs/dbraw/zinc/27/45/75/240274575.db2.gz ZQFKJRNOXBTSBV-DFQSSKMNSA-N 2 2 346.471 2.019 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCNC(=O)C2CCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422920783 240290561 /nfs/dbraw/zinc/29/05/61/240290561.db2.gz NSQATBUQHJQGRG-MOPGFXCFSA-N 2 2 345.487 2.384 10 0 EEAELP FC(F)(F)Oc1ccccc1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422927783 240292092 /nfs/dbraw/zinc/29/20/92/240292092.db2.gz HCOGEBCUNMNHMR-HOTGVXAUSA-N 2 2 344.377 2.484 10 0 EEAELP CC[C@@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)c1[nH]cc[nH+]1 ZINC000442798830 242116684 /nfs/dbraw/zinc/11/66/84/242116684.db2.gz WZOLDYWPFSYOOO-QGZVFWFLSA-N 2 2 341.459 2.433 10 0 EEAELP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000091305850 203073735 /nfs/dbraw/zinc/07/37/35/203073735.db2.gz HNEDGUUOBMARPK-HNNXBMFYSA-N 2 2 347.484 2.117 10 0 EEAELP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000091305850 203073738 /nfs/dbraw/zinc/07/37/38/203073738.db2.gz HNEDGUUOBMARPK-HNNXBMFYSA-N 2 2 347.484 2.117 10 0 EEAELP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000460366314 245330862 /nfs/dbraw/zinc/33/08/62/245330862.db2.gz YHNHAHZNVTYMED-IRXDYDNUSA-N 2 2 339.524 2.018 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2nc(C(C)C)no2)nc[nH+]1 ZINC000105797845 204159893 /nfs/dbraw/zinc/15/98/93/204159893.db2.gz ZEXOTSOGUHDASU-OLZOCXBDSA-N 2 2 345.451 2.344 10 0 EEAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105115136 204134760 /nfs/dbraw/zinc/13/47/60/204134760.db2.gz KPEZNONZECLCTF-KRWDZBQOSA-N 2 2 343.475 2.062 10 0 EEAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105115136 204134763 /nfs/dbraw/zinc/13/47/63/204134763.db2.gz KPEZNONZECLCTF-KRWDZBQOSA-N 2 2 343.475 2.062 10 0 EEAELP CC(C)[N@H+]1C[C@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@@H](C)C1 ZINC000132370792 205323048 /nfs/dbraw/zinc/32/30/48/205323048.db2.gz KCNILHSWMURNNB-HOTGVXAUSA-N 2 2 333.480 2.302 10 0 EEAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCCCCNc2cccc[nH+]2)[C@@H](C)C1 ZINC000132370792 205323053 /nfs/dbraw/zinc/32/30/53/205323053.db2.gz KCNILHSWMURNNB-HOTGVXAUSA-N 2 2 333.480 2.302 10 0 EEAELP O=C1NCCC[C@H]1[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000362379297 296370779 /nfs/dbraw/zinc/37/07/79/296370779.db2.gz QMAKLSTVFROHBR-UYAOXDASSA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@H]1[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000362379297 296370781 /nfs/dbraw/zinc/37/07/81/296370781.db2.gz QMAKLSTVFROHBR-UYAOXDASSA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@H]1[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000362379297 296370782 /nfs/dbraw/zinc/37/07/82/296370782.db2.gz QMAKLSTVFROHBR-UYAOXDASSA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@H]1[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000362379297 296370785 /nfs/dbraw/zinc/37/07/85/296370785.db2.gz QMAKLSTVFROHBR-UYAOXDASSA-N 2 2 327.472 2.253 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]3C[NH+](C)C)cn2c1 ZINC000268091128 256112043 /nfs/dbraw/zinc/11/20/43/256112043.db2.gz GDYYNAIYZVEAGD-MRXNPFEDSA-N 2 2 346.500 2.429 10 0 EEAELP Cc1nc(N2CC[NH+](Cc3cccc4nsnc43)CC2)cc[nH+]1 ZINC000273659880 256316240 /nfs/dbraw/zinc/31/62/40/256316240.db2.gz HUGSLMUACMRTOT-UHFFFAOYSA-N 2 2 326.429 2.112 10 0 EEAELP COCCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000184765516 533236469 /nfs/dbraw/zinc/23/64/69/533236469.db2.gz NSONXESUECIXIN-UHFFFAOYSA-N 2 2 342.443 2.132 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000074104238 292174009 /nfs/dbraw/zinc/17/40/09/292174009.db2.gz AZSFDZCFYCSRIB-INIZCTEOSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000074104238 292174010 /nfs/dbraw/zinc/17/40/10/292174010.db2.gz AZSFDZCFYCSRIB-INIZCTEOSA-N 2 2 335.496 2.459 10 0 EEAELP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262978841 152350679 /nfs/dbraw/zinc/35/06/79/152350679.db2.gz MNPAUSVTAAYNBC-OCCSQVGLSA-N 2 2 343.443 2.074 10 0 EEAELP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262978841 152350682 /nfs/dbraw/zinc/35/06/82/152350682.db2.gz MNPAUSVTAAYNBC-OCCSQVGLSA-N 2 2 343.443 2.074 10 0 EEAELP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262992721 152352942 /nfs/dbraw/zinc/35/29/42/152352942.db2.gz NXVZQRPWGIGJIE-OAHLLOKOSA-N 2 2 325.403 2.142 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1Cl ZINC000263161411 152391126 /nfs/dbraw/zinc/39/11/26/152391126.db2.gz DWFSDCOTKUAWLD-GFCCVEGCSA-N 2 2 347.793 2.216 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000119119556 159371124 /nfs/dbraw/zinc/37/11/24/159371124.db2.gz BVMKFACRUHOMPQ-HOTGVXAUSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000119119556 159371127 /nfs/dbraw/zinc/37/11/27/159371127.db2.gz BVMKFACRUHOMPQ-HOTGVXAUSA-N 2 2 333.480 2.165 10 0 EEAELP C[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[NH+]1CCCCCC1 ZINC000186458732 160071982 /nfs/dbraw/zinc/07/19/82/160071982.db2.gz QALADTCBKVGNSA-KRWDZBQOSA-N 2 2 330.476 2.385 10 0 EEAELP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)C1CCOCC1 ZINC000187796061 160108914 /nfs/dbraw/zinc/10/89/14/160108914.db2.gz WOWBCJFTWJSWCW-LJQANCHMSA-N 2 2 333.476 2.077 10 0 EEAELP COc1ccc(-c2noc([C@@H](C)[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)n2)cc1 ZINC000193598872 160183526 /nfs/dbraw/zinc/18/35/26/160183526.db2.gz DFDUKBWOVLFPKQ-YUELXQCFSA-N 2 2 328.416 2.300 10 0 EEAELP COc1ccc(-c2noc([C@@H](C)[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)n2)cc1 ZINC000193598872 160183528 /nfs/dbraw/zinc/18/35/28/160183528.db2.gz DFDUKBWOVLFPKQ-YUELXQCFSA-N 2 2 328.416 2.300 10 0 EEAELP COc1ccc(-c2noc([C@@H](C)[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)n2)cc1 ZINC000193598872 160183530 /nfs/dbraw/zinc/18/35/30/160183530.db2.gz DFDUKBWOVLFPKQ-YUELXQCFSA-N 2 2 328.416 2.300 10 0 EEAELP COc1ccc(-c2noc([C@@H](C)[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)n2)cc1 ZINC000193598872 160183532 /nfs/dbraw/zinc/18/35/32/160183532.db2.gz DFDUKBWOVLFPKQ-YUELXQCFSA-N 2 2 328.416 2.300 10 0 EEAELP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000245885764 160255668 /nfs/dbraw/zinc/25/56/68/160255668.db2.gz AEFWWFUOMCQAJU-HZPDHXFCSA-N 2 2 335.496 2.185 10 0 EEAELP CCCCc1noc([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1 ZINC000245885764 160255669 /nfs/dbraw/zinc/25/56/69/160255669.db2.gz AEFWWFUOMCQAJU-HZPDHXFCSA-N 2 2 335.496 2.185 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC000246526071 160283241 /nfs/dbraw/zinc/28/32/41/160283241.db2.gz ADCLAFQXOCGLKE-OWCLPIDISA-N 2 2 345.491 2.009 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC000246526071 160283244 /nfs/dbraw/zinc/28/32/44/160283244.db2.gz ADCLAFQXOCGLKE-OWCLPIDISA-N 2 2 345.491 2.009 10 0 EEAELP Cc1ccccc1CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247951617 160333360 /nfs/dbraw/zinc/33/33/60/160333360.db2.gz FBKXDQYQGIOSQM-RBUKOAKNSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247951617 160333363 /nfs/dbraw/zinc/33/33/63/160333363.db2.gz FBKXDQYQGIOSQM-RBUKOAKNSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247951617 160333365 /nfs/dbraw/zinc/33/33/65/160333365.db2.gz FBKXDQYQGIOSQM-RBUKOAKNSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247951617 160333367 /nfs/dbraw/zinc/33/33/67/160333367.db2.gz FBKXDQYQGIOSQM-RBUKOAKNSA-N 2 2 329.488 2.070 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4C3)CC[C@H]21 ZINC000247992936 160336413 /nfs/dbraw/zinc/33/64/13/160336413.db2.gz JOWUPAGPTXPPAL-GDBMZVCRSA-N 2 2 333.501 2.049 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCc4sccc4C3)CC[C@H]21 ZINC000247992936 160336414 /nfs/dbraw/zinc/33/64/14/160336414.db2.gz JOWUPAGPTXPPAL-GDBMZVCRSA-N 2 2 333.501 2.049 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCc4sccc4C3)CC[C@H]21 ZINC000247992936 160336416 /nfs/dbraw/zinc/33/64/16/160336416.db2.gz JOWUPAGPTXPPAL-GDBMZVCRSA-N 2 2 333.501 2.049 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4sccc4C3)CC[C@H]21 ZINC000247992936 160336418 /nfs/dbraw/zinc/33/64/18/160336418.db2.gz JOWUPAGPTXPPAL-GDBMZVCRSA-N 2 2 333.501 2.049 10 0 EEAELP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000342810339 161092571 /nfs/dbraw/zinc/09/25/71/161092571.db2.gz XRGJCKWPADAULO-KGLIPLIRSA-N 2 2 340.430 2.151 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1OC ZINC000343598093 161150361 /nfs/dbraw/zinc/15/03/61/161150361.db2.gz UQOZCLWWLCLCDC-AEFFLSMTSA-N 3 2 349.519 2.456 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1OC ZINC000343598093 161150362 /nfs/dbraw/zinc/15/03/62/161150362.db2.gz UQOZCLWWLCLCDC-AEFFLSMTSA-N 3 2 349.519 2.456 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](CCO)CC1CC1 ZINC000352468865 162146170 /nfs/dbraw/zinc/14/61/70/162146170.db2.gz VPZFRUJFJSCZLF-CYBMUJFWSA-N 2 2 328.416 2.108 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](CCO)CC1CC1 ZINC000352468865 162146172 /nfs/dbraw/zinc/14/61/72/162146172.db2.gz VPZFRUJFJSCZLF-CYBMUJFWSA-N 2 2 328.416 2.108 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000352626515 162217624 /nfs/dbraw/zinc/21/76/24/162217624.db2.gz DPHZENYJQZLYRQ-UHFFFAOYSA-N 2 2 329.423 2.312 10 0 EEAELP O=C(NCCCCC[NH+]1CCCCC1)C1([NH+]2CCOCC2)CCC1 ZINC000364684315 165231067 /nfs/dbraw/zinc/23/10/67/165231067.db2.gz IDFNZKCDNLYGFZ-UHFFFAOYSA-N 2 2 337.508 2.014 10 0 EEAELP CN(C(=O)NCCC1=CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375380720 167122074 /nfs/dbraw/zinc/12/20/74/167122074.db2.gz WWWNIYHLQPGPDU-SFHVURJKSA-N 2 2 334.508 2.297 10 0 EEAELP CN(C(=O)NCCC1=CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375380720 167122076 /nfs/dbraw/zinc/12/20/76/167122076.db2.gz WWWNIYHLQPGPDU-SFHVURJKSA-N 2 2 334.508 2.297 10 0 EEAELP Cc1ccncc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000280013095 269322142 /nfs/dbraw/zinc/32/21/42/269322142.db2.gz SOJRUPJPBQDKIK-UHFFFAOYSA-N 2 2 341.455 2.391 10 0 EEAELP CCc1nc(N2CC[C@H](Oc3ccc[nH+]c3N(C)C)C2)cc(C)[nH+]1 ZINC000287866409 275000492 /nfs/dbraw/zinc/00/04/92/275000492.db2.gz STXDTDLMAMYGQT-AWEZNQCLSA-N 2 2 327.432 2.466 10 0 EEAELP CCOC(=O)CC(C)(C)CC[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000287920292 275005959 /nfs/dbraw/zinc/00/59/59/275005959.db2.gz WCISPNRJAQQKTJ-UHFFFAOYSA-N 2 2 334.464 2.277 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)cn2c1 ZINC000289547140 275126442 /nfs/dbraw/zinc/12/64/42/275126442.db2.gz KBJBQILZCYTMES-GOSISDBHSA-N 2 2 332.423 2.471 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)cn2c1 ZINC000289547140 275126443 /nfs/dbraw/zinc/12/64/43/275126443.db2.gz KBJBQILZCYTMES-GOSISDBHSA-N 2 2 332.423 2.471 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084838 275373976 /nfs/dbraw/zinc/37/39/76/275373976.db2.gz GAWRVVSWSZKIIA-IEBWSBKVSA-N 2 2 331.435 2.349 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084838 275373977 /nfs/dbraw/zinc/37/39/77/275373977.db2.gz GAWRVVSWSZKIIA-IEBWSBKVSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084838 275373978 /nfs/dbraw/zinc/37/39/78/275373978.db2.gz GAWRVVSWSZKIIA-IEBWSBKVSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084838 275373979 /nfs/dbraw/zinc/37/39/79/275373979.db2.gz GAWRVVSWSZKIIA-IEBWSBKVSA-N 2 2 331.435 2.349 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292108508 275377436 /nfs/dbraw/zinc/37/74/36/275377436.db2.gz ITKZKNWRTUAJBF-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292108508 275377438 /nfs/dbraw/zinc/37/74/38/275377438.db2.gz ITKZKNWRTUAJBF-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292108508 275377441 /nfs/dbraw/zinc/37/74/41/275377441.db2.gz ITKZKNWRTUAJBF-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292108508 275377443 /nfs/dbraw/zinc/37/74/43/275377443.db2.gz ITKZKNWRTUAJBF-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCCSc3ccccc3)C2)C1 ZINC000292133473 275381938 /nfs/dbraw/zinc/38/19/38/275381938.db2.gz LOQBQAOQSMJHEK-LJQANCHMSA-N 2 2 347.528 2.313 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCCSc3ccccc3)C2)C1 ZINC000292133473 275381940 /nfs/dbraw/zinc/38/19/40/275381940.db2.gz LOQBQAOQSMJHEK-LJQANCHMSA-N 2 2 347.528 2.313 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCCCSc3ccccc3)C2)C1 ZINC000292133473 275381942 /nfs/dbraw/zinc/38/19/42/275381942.db2.gz LOQBQAOQSMJHEK-LJQANCHMSA-N 2 2 347.528 2.313 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCCCSc3ccccc3)C2)C1 ZINC000292133473 275381944 /nfs/dbraw/zinc/38/19/44/275381944.db2.gz LOQBQAOQSMJHEK-LJQANCHMSA-N 2 2 347.528 2.313 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)ccc1F ZINC000182974731 289223483 /nfs/dbraw/zinc/22/34/83/289223483.db2.gz OKNRCUAJXHVURR-DLBZAZTESA-N 2 2 342.480 2.333 10 0 EEAELP Cn1cc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccc(F)cc21 ZINC000423044305 294233127 /nfs/dbraw/zinc/23/31/27/294233127.db2.gz AFIUVMFGUZFYJI-OALUTQOASA-N 2 2 331.435 2.217 10 0 EEAELP C[C@@H]1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[C@H]1C[NH3+] ZINC000416942411 313367721 /nfs/dbraw/zinc/36/77/21/313367721.db2.gz RZECFELTHNPYSC-VXGBXAGGSA-N 2 2 335.839 2.114 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)c[nH+]1 ZINC000416988667 313385146 /nfs/dbraw/zinc/38/51/46/313385146.db2.gz NSSRWZHSQYLVFW-QGZVFWFLSA-N 2 2 341.459 2.427 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[C@@H]([NH+]3CCCC3)C1)C2 ZINC000526993445 317137775 /nfs/dbraw/zinc/13/77/75/317137775.db2.gz JCBHJOAKRFFNRU-LSDHHAIUSA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H]([NH+]3CCCC3)C1)CC2 ZINC000526993445 317137777 /nfs/dbraw/zinc/13/77/77/317137777.db2.gz JCBHJOAKRFFNRU-LSDHHAIUSA-N 2 2 330.476 2.335 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528011447 317302337 /nfs/dbraw/zinc/30/23/37/317302337.db2.gz LIYNCNXFPALPAD-KDOFPFPSSA-N 2 2 326.448 2.330 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528011447 317302341 /nfs/dbraw/zinc/30/23/41/317302341.db2.gz LIYNCNXFPALPAD-KDOFPFPSSA-N 2 2 326.448 2.330 10 0 EEAELP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2ccsc21 ZINC000528131858 317324919 /nfs/dbraw/zinc/32/49/19/317324919.db2.gz MCYKPYBXVZBJNQ-KRWDZBQOSA-N 2 2 333.457 2.324 10 0 EEAELP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2ccsc21 ZINC000528131858 317324921 /nfs/dbraw/zinc/32/49/21/317324921.db2.gz MCYKPYBXVZBJNQ-KRWDZBQOSA-N 2 2 333.457 2.324 10 0 EEAELP CC[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1OCC(=O)N(C)C ZINC000530224206 317701600 /nfs/dbraw/zinc/70/16/00/317701600.db2.gz VLQQGRVDRUQXFH-FUHWJXTLSA-N 2 2 345.487 2.479 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC000547763819 318320471 /nfs/dbraw/zinc/32/04/71/318320471.db2.gz QLMXSVDDAJAZBH-ZIAGYGMSSA-N 2 2 327.432 2.452 10 0 EEAELP CC1(C)C[NH+](CC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000553013248 318520256 /nfs/dbraw/zinc/52/02/56/318520256.db2.gz HATFRPCWZSQJIM-UHFFFAOYSA-N 2 2 330.476 2.420 10 0 EEAELP CS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565539235 319191967 /nfs/dbraw/zinc/19/19/67/319191967.db2.gz SGWLECKRPKKLEP-QGZVFWFLSA-N 2 2 336.501 2.208 10 0 EEAELP CS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565539235 319191970 /nfs/dbraw/zinc/19/19/70/319191970.db2.gz SGWLECKRPKKLEP-QGZVFWFLSA-N 2 2 336.501 2.208 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000566414209 319283383 /nfs/dbraw/zinc/28/33/83/319283383.db2.gz MEQONUGONVRQNH-MRXNPFEDSA-N 2 2 326.868 2.248 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000566414209 319283386 /nfs/dbraw/zinc/28/33/86/319283386.db2.gz MEQONUGONVRQNH-MRXNPFEDSA-N 2 2 326.868 2.248 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000566896712 319329816 /nfs/dbraw/zinc/32/98/16/319329816.db2.gz FRNSUQLRLDUZQW-DHSIGJKJSA-N 2 2 339.443 2.040 10 0 EEAELP C[C@@H](N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1)C(F)(F)F ZINC000568051494 319449258 /nfs/dbraw/zinc/44/92/58/319449258.db2.gz ODGHADGTQYUQTH-CYBMUJFWSA-N 2 2 327.394 2.401 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574917103 320070703 /nfs/dbraw/zinc/07/07/03/320070703.db2.gz RMYWRWBMWCHAKU-HXUWFJFHSA-N 2 2 329.488 2.499 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574917103 320070705 /nfs/dbraw/zinc/07/07/05/320070705.db2.gz RMYWRWBMWCHAKU-HXUWFJFHSA-N 2 2 329.488 2.499 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000574974304 320075255 /nfs/dbraw/zinc/07/52/55/320075255.db2.gz RLACCSZUWBVBNL-KRWDZBQOSA-N 2 2 343.475 2.108 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000576520805 320179631 /nfs/dbraw/zinc/17/96/31/320179631.db2.gz KCLWTWUYNPADSF-UHFFFAOYSA-N 2 2 332.423 2.212 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577223004 320243324 /nfs/dbraw/zinc/24/33/24/320243324.db2.gz VMONDSGIUDQKCQ-FJXFWJLJSA-N 2 2 341.377 2.093 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000577223004 320243326 /nfs/dbraw/zinc/24/33/26/320243326.db2.gz VMONDSGIUDQKCQ-FJXFWJLJSA-N 2 2 341.377 2.093 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577223005 320243339 /nfs/dbraw/zinc/24/33/39/320243339.db2.gz VMONDSGIUDQKCQ-KTMIJUKYSA-N 2 2 341.377 2.093 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000577223005 320243342 /nfs/dbraw/zinc/24/33/42/320243342.db2.gz VMONDSGIUDQKCQ-KTMIJUKYSA-N 2 2 341.377 2.093 10 0 EEAELP CN(CCC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C)c1cc[nH+]cc1 ZINC000577262423 320245359 /nfs/dbraw/zinc/24/53/59/320245359.db2.gz CXIDKEQXIBCVQS-MRXNPFEDSA-N 2 2 327.432 2.251 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1 ZINC000580152860 324000778 /nfs/dbraw/zinc/00/07/78/324000778.db2.gz YVQSLCFABCDKHY-DOTOQJQBSA-N 2 2 326.444 2.304 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000580952164 324157642 /nfs/dbraw/zinc/15/76/42/324157642.db2.gz KXXKFYSKSPSKBR-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000580952164 324157647 /nfs/dbraw/zinc/15/76/47/324157647.db2.gz KXXKFYSKSPSKBR-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP C[C@@H]1C[N@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@H](C)CO1 ZINC000624392683 450829017 /nfs/dbraw/zinc/82/90/17/450829017.db2.gz XCUHYDHBFQIBHQ-ZIAGYGMSSA-N 2 2 325.416 2.404 10 0 EEAELP C[C@@H]1C[N@@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@H](C)CO1 ZINC000624392683 450829022 /nfs/dbraw/zinc/82/90/22/450829022.db2.gz XCUHYDHBFQIBHQ-ZIAGYGMSSA-N 2 2 325.416 2.404 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)s1 ZINC000347852760 465266038 /nfs/dbraw/zinc/26/60/38/465266038.db2.gz KGTKRHQNUNNTAB-LBPRGKRZSA-N 2 2 325.478 2.368 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)s1 ZINC000347852760 465266042 /nfs/dbraw/zinc/26/60/42/465266042.db2.gz KGTKRHQNUNNTAB-LBPRGKRZSA-N 2 2 325.478 2.368 10 0 EEAELP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2ncccc2O)CC1 ZINC000348049579 465393727 /nfs/dbraw/zinc/39/37/27/465393727.db2.gz XCDRJPIMLJLNTA-UHFFFAOYSA-N 2 2 346.862 2.482 10 0 EEAELP CC(=O)CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000089914128 462741109 /nfs/dbraw/zinc/74/11/09/462741109.db2.gz ATIOJWLMHHFCDT-GOSISDBHSA-N 2 2 345.487 2.115 10 0 EEAELP CC(=O)CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000089914128 462741114 /nfs/dbraw/zinc/74/11/14/462741114.db2.gz ATIOJWLMHHFCDT-GOSISDBHSA-N 2 2 345.487 2.115 10 0 EEAELP c1c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)[nH]nc1-c1ccccc1 ZINC000119544464 462911268 /nfs/dbraw/zinc/91/12/68/462911268.db2.gz LRCGPRSMLSCBFQ-UHFFFAOYSA-N 2 2 339.487 2.290 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000091980748 462916286 /nfs/dbraw/zinc/91/62/86/462916286.db2.gz HXJXTUZVXQVHCD-QGZVFWFLSA-N 2 2 335.467 2.227 10 0 EEAELP NC(=O)c1c[nH+]ccc1NCc1cn2cc(Br)ccc2[nH+]1 ZINC000095941109 463110310 /nfs/dbraw/zinc/11/03/10/463110310.db2.gz UULVQZVQKBNBPI-UHFFFAOYSA-N 2 2 346.188 2.203 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@@H+]1C ZINC000123732152 463364071 /nfs/dbraw/zinc/36/40/71/463364071.db2.gz CVYSIBDUYWPGCI-SWLSCSKDSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@H+]1C ZINC000123732152 463364075 /nfs/dbraw/zinc/36/40/75/463364075.db2.gz CVYSIBDUYWPGCI-SWLSCSKDSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1C ZINC000123732152 463364079 /nfs/dbraw/zinc/36/40/79/463364079.db2.gz CVYSIBDUYWPGCI-SWLSCSKDSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1C ZINC000123732152 463364085 /nfs/dbraw/zinc/36/40/85/463364085.db2.gz CVYSIBDUYWPGCI-SWLSCSKDSA-N 2 2 334.851 2.262 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000185447900 463824891 /nfs/dbraw/zinc/82/48/91/463824891.db2.gz XHWUUCBYYFVYPG-UHFFFAOYSA-N 2 2 329.448 2.025 10 0 EEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000262046093 463933682 /nfs/dbraw/zinc/93/36/82/463933682.db2.gz ZCHJVSNDLPXYST-WJFTUGDTSA-N 2 2 335.467 2.175 10 0 EEAELP COC(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255046 464025155 /nfs/dbraw/zinc/02/51/55/464025155.db2.gz KIFBVFJUCRDRCQ-CQSZACIVSA-N 2 2 325.478 2.158 10 0 EEAELP COC(=O)CCC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195255046 464025161 /nfs/dbraw/zinc/02/51/61/464025161.db2.gz KIFBVFJUCRDRCQ-CQSZACIVSA-N 2 2 325.478 2.158 10 0 EEAELP COC(=O)CCC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195255046 464025162 /nfs/dbraw/zinc/02/51/62/464025162.db2.gz KIFBVFJUCRDRCQ-CQSZACIVSA-N 2 2 325.478 2.158 10 0 EEAELP COC(=O)CCC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195255046 464025165 /nfs/dbraw/zinc/02/51/65/464025165.db2.gz KIFBVFJUCRDRCQ-CQSZACIVSA-N 2 2 325.478 2.158 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000195292136 464034212 /nfs/dbraw/zinc/03/42/12/464034212.db2.gz SMMIJBWTUSNZPG-LEWJYISDSA-N 2 2 339.483 2.439 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000195292136 464034218 /nfs/dbraw/zinc/03/42/18/464034218.db2.gz SMMIJBWTUSNZPG-LEWJYISDSA-N 2 2 339.483 2.439 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000195292136 464034224 /nfs/dbraw/zinc/03/42/24/464034224.db2.gz SMMIJBWTUSNZPG-LEWJYISDSA-N 2 2 339.483 2.439 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000195292136 464034232 /nfs/dbraw/zinc/03/42/32/464034232.db2.gz SMMIJBWTUSNZPG-LEWJYISDSA-N 2 2 339.483 2.439 10 0 EEAELP O[C@H](COCc1cccs1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195519373 464068041 /nfs/dbraw/zinc/06/80/41/464068041.db2.gz SQSYBONEIXVYKG-HOTGVXAUSA-N 2 2 347.484 2.455 10 0 EEAELP O[C@H](COCc1cccs1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195519373 464068046 /nfs/dbraw/zinc/06/80/46/464068046.db2.gz SQSYBONEIXVYKG-HOTGVXAUSA-N 2 2 347.484 2.455 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292270457 464180428 /nfs/dbraw/zinc/18/04/28/464180428.db2.gz ZNHMHXBKZZPVJZ-KXBFYZLASA-N 2 2 333.451 2.373 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292270457 464180439 /nfs/dbraw/zinc/18/04/39/464180439.db2.gz ZNHMHXBKZZPVJZ-KXBFYZLASA-N 2 2 333.451 2.373 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292270457 464180443 /nfs/dbraw/zinc/18/04/43/464180443.db2.gz ZNHMHXBKZZPVJZ-KXBFYZLASA-N 2 2 333.451 2.373 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292270457 464180450 /nfs/dbraw/zinc/18/04/50/464180450.db2.gz ZNHMHXBKZZPVJZ-KXBFYZLASA-N 2 2 333.451 2.373 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]Cc3ccc4c[nH+]cn4c3)c2cc1C ZINC000579701489 468397545 /nfs/dbraw/zinc/39/75/45/468397545.db2.gz HKUTZUPCJGJVGG-GOSISDBHSA-N 3 2 349.438 2.452 10 0 EEAELP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)[C@H]1C ZINC000280021160 464182082 /nfs/dbraw/zinc/18/20/82/464182082.db2.gz TZFIXOUUWYNXCJ-OFQRWUPVSA-N 2 2 328.416 2.335 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccco1 ZINC000263839408 464211345 /nfs/dbraw/zinc/21/13/45/464211345.db2.gz PTQRQIOIGKNEAJ-CQSZACIVSA-N 2 2 331.420 2.195 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1O ZINC000180169158 464257486 /nfs/dbraw/zinc/25/74/86/464257486.db2.gz DCTDYTLBSSSDLX-QZTJIDSGSA-N 2 2 342.439 2.126 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1O ZINC000180169158 464257489 /nfs/dbraw/zinc/25/74/89/464257489.db2.gz DCTDYTLBSSSDLX-QZTJIDSGSA-N 2 2 342.439 2.126 10 0 EEAELP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000173782494 464315111 /nfs/dbraw/zinc/31/51/11/464315111.db2.gz GTQXKFVUQCUHTQ-CABCVRRESA-N 2 2 349.441 2.451 10 0 EEAELP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000173782494 464315113 /nfs/dbraw/zinc/31/51/13/464315113.db2.gz GTQXKFVUQCUHTQ-CABCVRRESA-N 2 2 349.441 2.451 10 0 EEAELP CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284874727 464376434 /nfs/dbraw/zinc/37/64/34/464376434.db2.gz SRTRXRFWCDZEJR-MRXNPFEDSA-N 2 2 327.432 2.148 10 0 EEAELP COc1ccc(F)cc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000264617835 464397318 /nfs/dbraw/zinc/39/73/18/464397318.db2.gz PZUMPUIPCAFWFD-GOSISDBHSA-N 2 2 335.467 2.436 10 0 EEAELP COc1ccc(F)cc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000264617835 464397326 /nfs/dbraw/zinc/39/73/26/464397326.db2.gz PZUMPUIPCAFWFD-GOSISDBHSA-N 2 2 335.467 2.436 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1noc(-c2ccccc2)n1 ZINC000180957955 464427209 /nfs/dbraw/zinc/42/72/09/464427209.db2.gz JVRBXZOGYKNIDT-UHFFFAOYSA-N 2 2 343.475 2.194 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1noc(-c2ccccc2)n1 ZINC000180957955 464427213 /nfs/dbraw/zinc/42/72/13/464427213.db2.gz JVRBXZOGYKNIDT-UHFFFAOYSA-N 2 2 343.475 2.194 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189367616 464486646 /nfs/dbraw/zinc/48/66/46/464486646.db2.gz XKZVKPQAAGCPSL-FUHWJXTLSA-N 2 2 348.397 2.193 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189367616 464486651 /nfs/dbraw/zinc/48/66/51/464486651.db2.gz XKZVKPQAAGCPSL-FUHWJXTLSA-N 2 2 348.397 2.193 10 0 EEAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175585753 464580772 /nfs/dbraw/zinc/58/07/72/464580772.db2.gz BCNJGHNARVDZRH-KRWDZBQOSA-N 2 2 345.491 2.176 10 0 EEAELP Cc1nocc1C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000294828516 464618336 /nfs/dbraw/zinc/61/83/36/464618336.db2.gz YFMRVUMLTBLHDM-UHFFFAOYSA-N 2 2 328.460 2.233 10 0 EEAELP Cc1nocc1C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000294828516 464618345 /nfs/dbraw/zinc/61/83/45/464618345.db2.gz YFMRVUMLTBLHDM-UHFFFAOYSA-N 2 2 328.460 2.233 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000247580277 464696964 /nfs/dbraw/zinc/69/69/64/464696964.db2.gz LFIHMTUTEGDECX-OLZOCXBDSA-N 2 2 344.381 2.246 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000247580277 464696969 /nfs/dbraw/zinc/69/69/69/464696969.db2.gz LFIHMTUTEGDECX-OLZOCXBDSA-N 2 2 344.381 2.246 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cn2c1 ZINC000266745621 464807935 /nfs/dbraw/zinc/80/79/35/464807935.db2.gz NAUFCPWGJYDKAN-HOCLYGCPSA-N 2 2 329.448 2.267 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cn2c1 ZINC000266745621 464807939 /nfs/dbraw/zinc/80/79/39/464807939.db2.gz NAUFCPWGJYDKAN-HOCLYGCPSA-N 2 2 329.448 2.267 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000249283431 464858144 /nfs/dbraw/zinc/85/81/44/464858144.db2.gz LEQIXOMZUBIJFE-DOTOQJQBSA-N 2 2 349.523 2.309 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000249283431 464858148 /nfs/dbraw/zinc/85/81/48/464858148.db2.gz LEQIXOMZUBIJFE-DOTOQJQBSA-N 2 2 349.523 2.309 10 0 EEAELP COC(=O)[C@@]1(C)CCC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249589512 464896277 /nfs/dbraw/zinc/89/62/77/464896277.db2.gz UZXAXTGILAABDZ-DNVCBOLYSA-N 2 2 345.443 2.042 10 0 EEAELP COC(=O)[C@@]1(C)CCC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000249589512 464896279 /nfs/dbraw/zinc/89/62/79/464896279.db2.gz UZXAXTGILAABDZ-DNVCBOLYSA-N 2 2 345.443 2.042 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)[C@H](C)C1 ZINC000192681887 464976167 /nfs/dbraw/zinc/97/61/67/464976167.db2.gz SXGLICAHUUJLMD-SOLBZPMBSA-N 2 2 345.487 2.463 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)[C@H](C)C1 ZINC000192681887 464976172 /nfs/dbraw/zinc/97/61/72/464976172.db2.gz SXGLICAHUUJLMD-SOLBZPMBSA-N 2 2 345.487 2.463 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)[C@H](C)C1 ZINC000192681887 464976176 /nfs/dbraw/zinc/97/61/76/464976176.db2.gz SXGLICAHUUJLMD-SOLBZPMBSA-N 2 2 345.487 2.463 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)[C@H](C)C1 ZINC000192681887 464976181 /nfs/dbraw/zinc/97/61/81/464976181.db2.gz SXGLICAHUUJLMD-SOLBZPMBSA-N 2 2 345.487 2.463 10 0 EEAELP COc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c(C)c1OC ZINC000348253645 465513214 /nfs/dbraw/zinc/51/32/14/465513214.db2.gz LCBUFGRMVJTTDP-UHFFFAOYSA-N 2 2 342.443 2.433 10 0 EEAELP CN(C)c1nc(NCc2[nH+]ccn2CCCc2ccccc2)cc[nH+]1 ZINC000343434317 465516246 /nfs/dbraw/zinc/51/62/46/465516246.db2.gz LSCGUAGPHNRKSX-UHFFFAOYSA-N 2 2 336.443 2.984 10 0 EEAELP c1nn(-c2cc[nH+]cc2)c2nc[nH+]c(NCc3noc(C4CC4)n3)c12 ZINC000353156836 465680443 /nfs/dbraw/zinc/68/04/43/465680443.db2.gz SGZIEKGZIXSPRL-UHFFFAOYSA-N 2 2 334.343 2.083 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000348695428 465745755 /nfs/dbraw/zinc/74/57/55/465745755.db2.gz JQKQWTWIVOZCSJ-AHRSYUTCSA-N 2 2 325.456 2.410 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000348695428 465745765 /nfs/dbraw/zinc/74/57/65/465745765.db2.gz JQKQWTWIVOZCSJ-AHRSYUTCSA-N 2 2 325.456 2.410 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3ccc(F)cc3F)CC2)cc[nH+]1 ZINC000353747677 466117260 /nfs/dbraw/zinc/11/72/60/466117260.db2.gz FZZSHIRRZGLILA-UHFFFAOYSA-N 2 2 333.386 2.143 10 0 EEAELP C[C@H]1C[N@H+](CCN2CC[NH+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250111 466216119 /nfs/dbraw/zinc/21/61/19/466216119.db2.gz FJSSVFANSZVSGS-MOPGFXCFSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H]1C[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250111 466216125 /nfs/dbraw/zinc/21/61/25/466216125.db2.gz FJSSVFANSZVSGS-MOPGFXCFSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H]1C[NH+](CCN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250111 466216135 /nfs/dbraw/zinc/21/61/35/466216135.db2.gz FJSSVFANSZVSGS-MOPGFXCFSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H]1C[NH+](CCN2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)CCO1 ZINC000367250111 466216140 /nfs/dbraw/zinc/21/61/40/466216140.db2.gz FJSSVFANSZVSGS-MOPGFXCFSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338840340 466416807 /nfs/dbraw/zinc/41/68/07/466416807.db2.gz KLVJWWLMMNKHAQ-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338840340 466416813 /nfs/dbraw/zinc/41/68/13/466416813.db2.gz KLVJWWLMMNKHAQ-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000340995942 466498929 /nfs/dbraw/zinc/49/89/29/466498929.db2.gz YLPHOBMYTNRJJA-MAUKXSAKSA-N 2 2 341.459 2.213 10 0 EEAELP C[C@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000340995942 466498937 /nfs/dbraw/zinc/49/89/37/466498937.db2.gz YLPHOBMYTNRJJA-MAUKXSAKSA-N 2 2 341.459 2.213 10 0 EEAELP C[C@@H](C[NH2+]Cc1c(Br)cnn1C)C[NH+]1CCCCC1 ZINC000312000615 466530135 /nfs/dbraw/zinc/53/01/35/466530135.db2.gz ROLNCTFXIFOBEY-LBPRGKRZSA-N 2 2 329.286 2.394 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2cc3c(cc2Br)OCO3)c1 ZINC000313259598 466540574 /nfs/dbraw/zinc/54/05/74/466540574.db2.gz FDSRLXWANXCTRW-UHFFFAOYSA-N 2 2 338.205 2.244 10 0 EEAELP COC[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000423430242 466747561 /nfs/dbraw/zinc/74/75/61/466747561.db2.gz PRBRHWVBELFYNP-YZGWKJHDSA-N 3 2 331.504 2.255 10 0 EEAELP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCC[NH2+]1 ZINC000423430242 466747570 /nfs/dbraw/zinc/74/75/70/466747570.db2.gz PRBRHWVBELFYNP-YZGWKJHDSA-N 3 2 331.504 2.255 10 0 EEAELP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417063108 466768462 /nfs/dbraw/zinc/76/84/62/466768462.db2.gz DPASSHKWYHQOCB-GOSISDBHSA-N 2 2 341.459 2.215 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417945516 466997994 /nfs/dbraw/zinc/99/79/94/466997994.db2.gz DJTMWPAZMDHXRG-XFBWCDHKSA-N 2 2 340.418 2.007 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417945516 466997997 /nfs/dbraw/zinc/99/79/97/466997997.db2.gz DJTMWPAZMDHXRG-XFBWCDHKSA-N 2 2 340.418 2.007 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004297 467019417 /nfs/dbraw/zinc/01/94/17/467019417.db2.gz YVHFPAIAPUMSSO-NZVBXONLSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004297 467019425 /nfs/dbraw/zinc/01/94/25/467019425.db2.gz YVHFPAIAPUMSSO-NZVBXONLSA-N 2 2 342.846 2.261 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377973426 467174395 /nfs/dbraw/zinc/17/43/95/467174395.db2.gz XDVMJAUILWONIL-LJQANCHMSA-N 2 2 348.466 2.251 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377973426 467174396 /nfs/dbraw/zinc/17/43/96/467174396.db2.gz XDVMJAUILWONIL-LJQANCHMSA-N 2 2 348.466 2.251 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427888441 467184371 /nfs/dbraw/zinc/18/43/71/467184371.db2.gz XBYADMJYAJVKBB-HUUCEWRRSA-N 2 2 329.366 2.134 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427888441 467184374 /nfs/dbraw/zinc/18/43/74/467184374.db2.gz XBYADMJYAJVKBB-HUUCEWRRSA-N 2 2 329.366 2.134 10 0 EEAELP COc1cc(OCC[NH+](C)C)ccc1NC(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC000413939717 467346640 /nfs/dbraw/zinc/34/66/40/467346640.db2.gz PYFKPRCMUCRPKP-UHFFFAOYSA-N 2 2 346.431 2.275 10 0 EEAELP COc1cc(OCC[NH+](C)C)ccc1NC(=O)C(C)(C)c1c[nH]c[nH+]1 ZINC000413939717 467346642 /nfs/dbraw/zinc/34/66/42/467346642.db2.gz PYFKPRCMUCRPKP-UHFFFAOYSA-N 2 2 346.431 2.275 10 0 EEAELP c1nnn(Cc2ccccc2)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000430251932 467411803 /nfs/dbraw/zinc/41/18/03/467411803.db2.gz ZQFPAZZUDQTYHY-SFHVURJKSA-N 2 2 325.460 2.244 10 0 EEAELP c1nnn(Cc2ccccc2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000430251932 467411807 /nfs/dbraw/zinc/41/18/07/467411807.db2.gz ZQFPAZZUDQTYHY-SFHVURJKSA-N 2 2 325.460 2.244 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414872053 467443635 /nfs/dbraw/zinc/44/36/35/467443635.db2.gz FNWKBFFEMCIODW-UHFFFAOYSA-N 3 2 336.443 2.240 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398003949 467446392 /nfs/dbraw/zinc/44/63/92/467446392.db2.gz WYDLMIMWMBMIQY-YZGWKJHDSA-N 3 2 331.504 2.398 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398003949 467446396 /nfs/dbraw/zinc/44/63/96/467446396.db2.gz WYDLMIMWMBMIQY-YZGWKJHDSA-N 3 2 331.504 2.398 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(OC)c1 ZINC000414908057 467447309 /nfs/dbraw/zinc/44/73/09/467447309.db2.gz AYGGCQHVNOZCOR-DVOMOZLQSA-N 2 2 335.448 2.009 10 0 EEAELP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C2(OC)CCOCC2)CC1 ZINC000453108023 467461061 /nfs/dbraw/zinc/46/10/61/467461061.db2.gz KCMKOULUBJFBSA-OAHLLOKOSA-N 2 2 328.497 2.050 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000448549422 467592423 /nfs/dbraw/zinc/59/24/23/467592423.db2.gz RJDVKVNOUBZBNK-LZLYRXPVSA-N 2 2 331.460 2.107 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000448549422 467592424 /nfs/dbraw/zinc/59/24/24/467592424.db2.gz RJDVKVNOUBZBNK-LZLYRXPVSA-N 2 2 331.460 2.107 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ncc(C)s3)cn2)CC1 ZINC000449082226 467616888 /nfs/dbraw/zinc/61/68/88/467616888.db2.gz LPEFVWUDLKQYMA-UHFFFAOYSA-N 2 2 331.489 2.278 10 0 EEAELP O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000449432880 467644795 /nfs/dbraw/zinc/64/47/95/467644795.db2.gz JRYZZUJCHCMAQY-BHIYHBOVSA-N 2 2 327.428 2.234 10 0 EEAELP O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000449432880 467644796 /nfs/dbraw/zinc/64/47/96/467644796.db2.gz JRYZZUJCHCMAQY-BHIYHBOVSA-N 2 2 327.428 2.234 10 0 EEAELP Cc1[nH+]ccn1CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000457582471 467656515 /nfs/dbraw/zinc/65/65/15/467656515.db2.gz DKIQKPNXFXWOJA-GASCZTMLSA-N 2 2 342.443 2.439 10 0 EEAELP Cc1[nH+]ccn1CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000457582471 467656518 /nfs/dbraw/zinc/65/65/18/467656518.db2.gz DKIQKPNXFXWOJA-GASCZTMLSA-N 2 2 342.443 2.439 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)Cn3c[nH+]cc3C)CC2)s1 ZINC000528628889 467715866 /nfs/dbraw/zinc/71/58/66/467715866.db2.gz WYWSSDRPXRUNKM-UHFFFAOYSA-N 2 2 332.473 2.160 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2(C)C)CC1 ZINC000528769330 467748609 /nfs/dbraw/zinc/74/86/09/467748609.db2.gz OOCHWDLQRMMLIW-KRWDZBQOSA-N 2 2 333.451 2.168 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](c3cccc(F)c3)C2(C)C)CC1 ZINC000528769330 467748611 /nfs/dbraw/zinc/74/86/11/467748611.db2.gz OOCHWDLQRMMLIW-KRWDZBQOSA-N 2 2 333.451 2.168 10 0 EEAELP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)nc1 ZINC000450456880 467852476 /nfs/dbraw/zinc/85/24/76/467852476.db2.gz UPFTWEQLDGKNEJ-MRXNPFEDSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)nc1 ZINC000450456880 467852478 /nfs/dbraw/zinc/85/24/78/467852478.db2.gz UPFTWEQLDGKNEJ-MRXNPFEDSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)nc1 ZINC000450456880 467852482 /nfs/dbraw/zinc/85/24/82/467852482.db2.gz UPFTWEQLDGKNEJ-MRXNPFEDSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)nc1 ZINC000450456880 467852486 /nfs/dbraw/zinc/85/24/86/467852486.db2.gz UPFTWEQLDGKNEJ-MRXNPFEDSA-N 2 2 331.460 2.422 10 0 EEAELP Cc1ccoc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000494592066 468071595 /nfs/dbraw/zinc/07/15/95/468071595.db2.gz NGDZDRBKGQNSSP-SJPCQFCGSA-N 2 2 346.475 2.040 10 0 EEAELP Cc1ccoc1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000494592066 468071597 /nfs/dbraw/zinc/07/15/97/468071597.db2.gz NGDZDRBKGQNSSP-SJPCQFCGSA-N 2 2 346.475 2.040 10 0 EEAELP CC[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000494910378 468080629 /nfs/dbraw/zinc/08/06/29/468080629.db2.gz PIOZKSYBEMHRSM-ROUUACIJSA-N 2 2 329.488 2.470 10 0 EEAELP CC[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000494910378 468080630 /nfs/dbraw/zinc/08/06/30/468080630.db2.gz PIOZKSYBEMHRSM-ROUUACIJSA-N 2 2 329.488 2.470 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000556694220 468549165 /nfs/dbraw/zinc/54/91/65/468549165.db2.gz ODPQLTIGGGLYSM-OAHLLOKOSA-N 2 2 339.443 2.003 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000556694220 468549174 /nfs/dbraw/zinc/54/91/74/468549174.db2.gz ODPQLTIGGGLYSM-OAHLLOKOSA-N 2 2 339.443 2.003 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cncc(Br)c1 ZINC000569824480 468549772 /nfs/dbraw/zinc/54/97/72/468549772.db2.gz BIISHFFCRPDOPW-SWLSCSKDSA-N 2 2 342.281 2.342 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cncc(Br)c1 ZINC000569824480 468549776 /nfs/dbraw/zinc/54/97/76/468549776.db2.gz BIISHFFCRPDOPW-SWLSCSKDSA-N 2 2 342.281 2.342 10 0 EEAELP CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601229816 468791237 /nfs/dbraw/zinc/79/12/37/468791237.db2.gz DIYYQUIJNWIMTO-KRWDZBQOSA-N 2 2 343.475 2.060 10 0 EEAELP CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000601229816 468791242 /nfs/dbraw/zinc/79/12/42/468791242.db2.gz DIYYQUIJNWIMTO-KRWDZBQOSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000560911212 468853986 /nfs/dbraw/zinc/85/39/86/468853986.db2.gz XBAPDULZCMHPCM-CCNLRDMRSA-N 2 2 336.501 2.205 10 0 EEAELP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000560911212 468853991 /nfs/dbraw/zinc/85/39/91/468853991.db2.gz XBAPDULZCMHPCM-CCNLRDMRSA-N 2 2 336.501 2.205 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612777 468921725 /nfs/dbraw/zinc/92/17/25/468921725.db2.gz VJPYEKOFGDUAIW-FUHWJXTLSA-N 2 2 348.487 2.240 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612777 468921730 /nfs/dbraw/zinc/92/17/30/468921730.db2.gz VJPYEKOFGDUAIW-FUHWJXTLSA-N 2 2 348.487 2.240 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612777 468921734 /nfs/dbraw/zinc/92/17/34/468921734.db2.gz VJPYEKOFGDUAIW-FUHWJXTLSA-N 2 2 348.487 2.240 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612777 468921739 /nfs/dbraw/zinc/92/17/39/468921739.db2.gz VJPYEKOFGDUAIW-FUHWJXTLSA-N 2 2 348.487 2.240 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000586770049 469061106 /nfs/dbraw/zinc/06/11/06/469061106.db2.gz CCZVQDSDBOSUTM-MRXNPFEDSA-N 2 2 340.427 2.391 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)nc1 ZINC000586770049 469061111 /nfs/dbraw/zinc/06/11/11/469061111.db2.gz CCZVQDSDBOSUTM-MRXNPFEDSA-N 2 2 340.427 2.391 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CC2 ZINC000626220140 469546436 /nfs/dbraw/zinc/54/64/36/469546436.db2.gz GVFQYHZJUGPFGR-JFIYKMOQSA-N 2 2 342.487 2.229 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)CC2 ZINC000626220140 469546440 /nfs/dbraw/zinc/54/64/40/469546440.db2.gz GVFQYHZJUGPFGR-JFIYKMOQSA-N 2 2 342.487 2.229 10 0 EEAELP C[N@@H+]1CC[C@@H](CC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000623173706 469570551 /nfs/dbraw/zinc/57/05/51/469570551.db2.gz ZOXUVOKAUSPOLF-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP C[N@H+]1CC[C@@H](CC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000623173706 469570554 /nfs/dbraw/zinc/57/05/54/469570554.db2.gz ZOXUVOKAUSPOLF-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](CCn1cncn1)c1ccc(OC)cc1 ZINC000629527230 469572795 /nfs/dbraw/zinc/57/27/95/469572795.db2.gz OTAXAGSRUAQQCQ-RCCFBDPRSA-N 2 2 329.448 2.148 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C2 ZINC000629596289 469588667 /nfs/dbraw/zinc/58/86/67/469588667.db2.gz VZRQWOLQCGUTHK-CALCHBBNSA-N 2 2 331.851 2.352 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C2 ZINC000629596289 469588672 /nfs/dbraw/zinc/58/86/72/469588672.db2.gz VZRQWOLQCGUTHK-CALCHBBNSA-N 2 2 331.851 2.352 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000629655896 469599977 /nfs/dbraw/zinc/59/99/77/469599977.db2.gz LPUUGEKRQHRMPP-GXFFZTMASA-N 2 2 328.254 2.473 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000629655898 469600061 /nfs/dbraw/zinc/60/00/61/469600061.db2.gz LPUUGEKRQHRMPP-ZWNOBZJWSA-N 2 2 328.254 2.473 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NCCC[NH+](C)C)CC2)s1 ZINC000606618780 469621998 /nfs/dbraw/zinc/62/19/98/469621998.db2.gz UPXROGKYIWCLFX-UHFFFAOYSA-N 2 2 338.521 2.089 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623398647 469642957 /nfs/dbraw/zinc/64/29/57/469642957.db2.gz LJBSMPASLDGXME-CQSZACIVSA-N 2 2 327.419 2.231 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623398647 469642961 /nfs/dbraw/zinc/64/29/61/469642961.db2.gz LJBSMPASLDGXME-CQSZACIVSA-N 2 2 327.419 2.231 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000606949464 469654742 /nfs/dbraw/zinc/65/47/42/469654742.db2.gz FOWLSTJMRHJPGR-HNNXBMFYSA-N 2 2 343.431 2.178 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000606949464 469654744 /nfs/dbraw/zinc/65/47/44/469654744.db2.gz FOWLSTJMRHJPGR-HNNXBMFYSA-N 2 2 343.431 2.178 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@]3(C)C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000623564718 469695984 /nfs/dbraw/zinc/69/59/84/469695984.db2.gz ONHGUGCLDDLZIN-CWPLJXCYSA-N 2 2 348.535 2.280 10 0 EEAELP Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000623600283 469706448 /nfs/dbraw/zinc/70/64/48/469706448.db2.gz HKAXRMQZRPZPFK-UHFFFAOYSA-N 2 2 336.321 2.309 10 0 EEAELP c1[nH+]cn2c1c(N1CC[NH+](C[C@@H]3CCCO3)CC1)nc1ccccc12 ZINC000623800485 469765350 /nfs/dbraw/zinc/76/53/50/469765350.db2.gz LVFAVPLFCXUGCU-HNNXBMFYSA-N 2 2 337.427 2.184 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)CC2 ZINC000623914266 469794671 /nfs/dbraw/zinc/79/46/71/469794671.db2.gz SKNMMMLHBVKDJR-HIFRSBDPSA-N 2 2 332.473 2.235 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1SCCc2sccc21 ZINC000617766178 469797102 /nfs/dbraw/zinc/79/71/02/469797102.db2.gz ARHBVIPQEFQWNO-HNNXBMFYSA-N 2 2 341.546 2.078 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1SCCc2sccc21 ZINC000617766178 469797106 /nfs/dbraw/zinc/79/71/06/469797106.db2.gz ARHBVIPQEFQWNO-HNNXBMFYSA-N 2 2 341.546 2.078 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000617767226 469799307 /nfs/dbraw/zinc/79/93/07/469799307.db2.gz LKKWQMPMVVIEOT-UHFFFAOYSA-N 2 2 336.867 2.435 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c2cc(Cl)ccc12 ZINC000617767226 469799308 /nfs/dbraw/zinc/79/93/08/469799308.db2.gz LKKWQMPMVVIEOT-UHFFFAOYSA-N 2 2 336.867 2.435 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000608313609 469801125 /nfs/dbraw/zinc/80/11/25/469801125.db2.gz CQTIFKZTZHHGRF-INIZCTEOSA-N 2 2 343.431 2.053 10 0 EEAELP C[C@@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000624051777 469826966 /nfs/dbraw/zinc/82/69/66/469826966.db2.gz NGXHVWXRHMGPLD-PBHICJAKSA-N 2 2 339.443 2.128 10 0 EEAELP C[C@@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000624051777 469826968 /nfs/dbraw/zinc/82/69/68/469826968.db2.gz NGXHVWXRHMGPLD-PBHICJAKSA-N 2 2 339.443 2.128 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)CC2 ZINC000624083776 469836151 /nfs/dbraw/zinc/83/61/51/469836151.db2.gz BXMWNJXRQQAGGC-IRXDYDNUSA-N 2 2 332.492 2.381 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C[NH2+]1 ZINC000627193347 469839261 /nfs/dbraw/zinc/83/92/61/469839261.db2.gz IHOIJBMNJPICLG-RNHKPAHNSA-N 2 2 342.487 2.168 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000624473877 469948617 /nfs/dbraw/zinc/94/86/17/469948617.db2.gz VMDVAGPIMGBYAF-ROUUACIJSA-N 2 2 340.471 2.043 10 0 EEAELP CC[NH+]1CCC(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630818690 470003142 /nfs/dbraw/zinc/00/31/42/470003142.db2.gz XFPMEFOPFAXYAQ-UHFFFAOYSA-N 2 2 326.444 2.263 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC000625522228 470160190 /nfs/dbraw/zinc/16/01/90/470160190.db2.gz LWZIIGVOECXCNX-LLVKDONJSA-N 2 2 327.375 2.116 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C(F)F)o3)C2)CC1 ZINC000625522228 470160193 /nfs/dbraw/zinc/16/01/93/470160193.db2.gz LWZIIGVOECXCNX-LLVKDONJSA-N 2 2 327.375 2.116 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000634576589 470267902 /nfs/dbraw/zinc/26/79/02/470267902.db2.gz VIEBDZBQTYERKM-MDZRGWNJSA-N 2 2 345.487 2.095 10 0 EEAELP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000633254822 470400160 /nfs/dbraw/zinc/40/01/60/470400160.db2.gz XOLXHWYZFWAVHH-FQEVSTJZSA-N 2 2 338.455 2.359 10 0 EEAELP C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000633254822 470400166 /nfs/dbraw/zinc/40/01/66/470400166.db2.gz XOLXHWYZFWAVHH-FQEVSTJZSA-N 2 2 338.455 2.359 10 0 EEAELP CCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000633305151 470420282 /nfs/dbraw/zinc/42/02/82/470420282.db2.gz FHHPAWDLUGASPA-UHFFFAOYSA-N 2 2 326.444 2.358 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N[C@H](C)c3[nH+]ccn3C)C2)cc1 ZINC000633359238 470437091 /nfs/dbraw/zinc/43/70/91/470437091.db2.gz YTNDJSATETZVAS-NVXWUHKLSA-N 2 2 341.459 2.363 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H](C)c3[nH+]ccn3C)C2)cc1 ZINC000633359238 470437094 /nfs/dbraw/zinc/43/70/94/470437094.db2.gz YTNDJSATETZVAS-NVXWUHKLSA-N 2 2 341.459 2.363 10 0 EEAELP CC(C)N(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649064980 470447200 /nfs/dbraw/zinc/44/72/00/470447200.db2.gz HVEGRJHTJHLDFM-SFHVURJKSA-N 2 2 326.444 2.395 10 0 EEAELP CC(C)N(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649064980 470447203 /nfs/dbraw/zinc/44/72/03/470447203.db2.gz HVEGRJHTJHLDFM-SFHVURJKSA-N 2 2 326.444 2.395 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000639258953 470447282 /nfs/dbraw/zinc/44/72/82/470447282.db2.gz OQYLYDFMMFBGBB-WMZOPIPTSA-N 2 2 334.485 2.087 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000639258953 470447288 /nfs/dbraw/zinc/44/72/88/470447288.db2.gz OQYLYDFMMFBGBB-WMZOPIPTSA-N 2 2 334.485 2.087 10 0 EEAELP C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCO1 ZINC000633658097 470548779 /nfs/dbraw/zinc/54/87/79/470548779.db2.gz SSQRPBSXBICJIA-KRWDZBQOSA-N 2 2 342.443 2.260 10 0 EEAELP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000646181744 470556936 /nfs/dbraw/zinc/55/69/36/470556936.db2.gz JLHVTLWJMMUOJZ-UHFFFAOYSA-N 2 2 327.432 2.156 10 0 EEAELP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000646181744 470556939 /nfs/dbraw/zinc/55/69/39/470556939.db2.gz JLHVTLWJMMUOJZ-UHFFFAOYSA-N 2 2 327.432 2.156 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000647530154 470923510 /nfs/dbraw/zinc/92/35/10/470923510.db2.gz WLOUJYFDWFQHPW-NHCUHLMSSA-N 2 2 342.483 2.180 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000647530154 470923512 /nfs/dbraw/zinc/92/35/12/470923512.db2.gz WLOUJYFDWFQHPW-NHCUHLMSSA-N 2 2 342.483 2.180 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cc(Br)c(OC)s2)C[C@H]1C[NH3+] ZINC000650714494 470949213 /nfs/dbraw/zinc/94/92/13/470949213.db2.gz JAQJHVFAEDEJRE-BXKDBHETSA-N 2 2 349.294 2.315 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cc(Br)c(OC)s2)C[C@H]1C[NH3+] ZINC000650714494 470949215 /nfs/dbraw/zinc/94/92/15/470949215.db2.gz JAQJHVFAEDEJRE-BXKDBHETSA-N 2 2 349.294 2.315 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644548101 470979896 /nfs/dbraw/zinc/97/98/96/470979896.db2.gz OSWVHTWPQRYMPQ-QWHCGFSZSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000644548101 470979900 /nfs/dbraw/zinc/97/99/00/470979900.db2.gz OSWVHTWPQRYMPQ-QWHCGFSZSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162125 471105182 /nfs/dbraw/zinc/10/51/82/471105182.db2.gz KUARVVPJYVYILO-IDTSFGKNSA-N 2 2 325.815 2.078 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162125 471105188 /nfs/dbraw/zinc/10/51/88/471105188.db2.gz KUARVVPJYVYILO-IDTSFGKNSA-N 2 2 325.815 2.078 10 0 EEAELP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000648437229 471205351 /nfs/dbraw/zinc/20/53/51/471205351.db2.gz FKTIMPYQBHPOAV-WBVHZDCISA-N 2 2 335.879 2.340 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn1 ZINC000657771815 471231696 /nfs/dbraw/zinc/23/16/96/471231696.db2.gz GQLVRNXJYNRMMY-KRWDZBQOSA-N 2 2 325.460 2.207 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1 ZINC000657771815 471231701 /nfs/dbraw/zinc/23/17/01/471231701.db2.gz GQLVRNXJYNRMMY-KRWDZBQOSA-N 2 2 325.460 2.207 10 0 EEAELP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658056485 471263588 /nfs/dbraw/zinc/26/35/88/471263588.db2.gz LMHXRSHUZLOCJS-UKRRQHHQSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658056485 471263591 /nfs/dbraw/zinc/26/35/91/471263591.db2.gz LMHXRSHUZLOCJS-UKRRQHHQSA-N 2 2 339.505 2.118 10 0 EEAELP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357799 471278388 /nfs/dbraw/zinc/27/83/88/471278388.db2.gz BUPFDWDAPVDFDS-CEXWTWQISA-N 2 2 347.503 2.186 10 0 EEAELP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H](CC(C)C)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357799 471278390 /nfs/dbraw/zinc/27/83/90/471278390.db2.gz BUPFDWDAPVDFDS-CEXWTWQISA-N 2 2 347.503 2.186 10 0 EEAELP CCO[C@@H]1C[N@H+](CCOc2ccccc2Br)C[C@H]1C[NH3+] ZINC000652356575 471278394 /nfs/dbraw/zinc/27/83/94/471278394.db2.gz UOBQKXNUDFSKNU-IUODEOHRSA-N 2 2 343.265 2.124 10 0 EEAELP CCO[C@@H]1C[N@@H+](CCOc2ccccc2Br)C[C@H]1C[NH3+] ZINC000652356575 471278395 /nfs/dbraw/zinc/27/83/95/471278395.db2.gz UOBQKXNUDFSKNU-IUODEOHRSA-N 2 2 343.265 2.124 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000660667979 471438293 /nfs/dbraw/zinc/43/82/93/471438293.db2.gz CCCWRAGCEJBGEE-WBVHZDCISA-N 2 2 341.459 2.445 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000660667979 471438297 /nfs/dbraw/zinc/43/82/97/471438297.db2.gz CCCWRAGCEJBGEE-WBVHZDCISA-N 2 2 341.459 2.445 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000653095834 471483647 /nfs/dbraw/zinc/48/36/47/471483647.db2.gz XRGUEQRGTLFYNK-NEPJUHHUSA-N 2 2 337.773 2.339 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCC[NH2+]2)CC1 ZINC000666770173 471530693 /nfs/dbraw/zinc/53/06/93/471530693.db2.gz OBQCEIHNLNRUKL-LJQANCHMSA-N 3 2 330.520 2.450 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659436246 471627018 /nfs/dbraw/zinc/62/70/18/471627018.db2.gz JRCOAYXXZSPPQN-KRWDZBQOSA-N 2 2 345.491 2.305 10 0 EEAELP COc1c(C)[nH+]c(C2CC2)nc1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664196285 471673076 /nfs/dbraw/zinc/67/30/76/471673076.db2.gz RFPQLLPCQKKMSA-ZDUSSCGKSA-N 3 2 335.496 2.355 10 0 EEAELP COc1c(C)[nH+]c(C2CC2)nc1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664196285 471673079 /nfs/dbraw/zinc/67/30/79/471673079.db2.gz RFPQLLPCQKKMSA-ZDUSSCGKSA-N 3 2 335.496 2.355 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664331874 471721447 /nfs/dbraw/zinc/72/14/47/471721447.db2.gz UBHGFZFDAGATKC-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664331874 471721449 /nfs/dbraw/zinc/72/14/49/471721449.db2.gz UBHGFZFDAGATKC-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP Cc1[nH+]cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)n1C ZINC000667488066 471796801 /nfs/dbraw/zinc/79/68/01/471796801.db2.gz RCIDEFSZBZPIOW-UHFFFAOYSA-N 2 2 326.444 2.257 10 0 EEAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000667810474 471915868 /nfs/dbraw/zinc/91/58/68/471915868.db2.gz MHXXLOHKUSUQCI-QUCCMNQESA-N 2 2 346.471 2.055 10 0 EEAELP C[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)[N@@H+]1CCc2sccc2C1 ZINC000660321025 471941067 /nfs/dbraw/zinc/94/10/67/471941067.db2.gz KUSPXXSLCMXZFG-OLZOCXBDSA-N 2 2 347.488 2.289 10 0 EEAELP C[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)[N@H+]1CCc2sccc2C1 ZINC000660321025 471941072 /nfs/dbraw/zinc/94/10/72/471941072.db2.gz KUSPXXSLCMXZFG-OLZOCXBDSA-N 2 2 347.488 2.289 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)c(F)c1F ZINC000665151509 471958117 /nfs/dbraw/zinc/95/81/17/471958117.db2.gz XRSWMCOZJVFDMV-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)c(F)c1F ZINC000665151509 471958122 /nfs/dbraw/zinc/95/81/22/471958122.db2.gz XRSWMCOZJVFDMV-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654458555 471966957 /nfs/dbraw/zinc/96/69/57/471966957.db2.gz HHGSMFOHWSZWQY-JKSUJKDBSA-N 2 2 333.480 2.355 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654458555 471966960 /nfs/dbraw/zinc/96/69/60/471966960.db2.gz HHGSMFOHWSZWQY-JKSUJKDBSA-N 2 2 333.480 2.355 10 0 EEAELP C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662092420 471982206 /nfs/dbraw/zinc/98/22/06/471982206.db2.gz AELWBKPSEVVONS-ZOBUZTSGSA-N 2 2 341.459 2.443 10 0 EEAELP C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662092420 471982209 /nfs/dbraw/zinc/98/22/09/471982209.db2.gz AELWBKPSEVVONS-ZOBUZTSGSA-N 2 2 341.459 2.443 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@]3(F)c3ccccc3)C2)CC1 ZINC000665295175 471993468 /nfs/dbraw/zinc/99/34/68/471993468.db2.gz WQXBDNPCOHTTRO-XKGZKEIXSA-N 2 2 345.462 2.156 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@@]3(F)c3ccccc3)C2)CC1 ZINC000665295175 471993472 /nfs/dbraw/zinc/99/34/72/471993472.db2.gz WQXBDNPCOHTTRO-XKGZKEIXSA-N 2 2 345.462 2.156 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000665295164 471993858 /nfs/dbraw/zinc/99/38/58/471993858.db2.gz VKEPXETVMFQFDJ-UHOSZYNNSA-N 2 2 327.472 2.075 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000665295164 471993862 /nfs/dbraw/zinc/99/38/62/471993862.db2.gz VKEPXETVMFQFDJ-UHOSZYNNSA-N 2 2 327.472 2.075 10 0 EEAELP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320179 472069198 /nfs/dbraw/zinc/06/91/98/472069198.db2.gz RVWIJYVCNVFMJG-FUHWJXTLSA-N 2 2 333.476 2.081 10 0 EEAELP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320179 472069202 /nfs/dbraw/zinc/06/92/02/472069202.db2.gz RVWIJYVCNVFMJG-FUHWJXTLSA-N 2 2 333.476 2.081 10 0 EEAELP COc1ccc(C(=O)CC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662321781 472070110 /nfs/dbraw/zinc/07/01/10/472070110.db2.gz DJOMPTCSXDCDMG-SFHVURJKSA-N 2 2 334.460 2.311 10 0 EEAELP COc1ccc(C(=O)CC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662321781 472070114 /nfs/dbraw/zinc/07/01/14/472070114.db2.gz DJOMPTCSXDCDMG-SFHVURJKSA-N 2 2 334.460 2.311 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CCO1 ZINC000662322859 472071331 /nfs/dbraw/zinc/07/13/31/472071331.db2.gz JAJDRLUHPCRKIA-DLBZAZTESA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CCO1 ZINC000662322859 472071332 /nfs/dbraw/zinc/07/13/32/472071332.db2.gz JAJDRLUHPCRKIA-DLBZAZTESA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCO1 ZINC000662322722 472071390 /nfs/dbraw/zinc/07/13/90/472071390.db2.gz SUNSPHNMPAOLNX-RBUKOAKNSA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCO1 ZINC000662322722 472071397 /nfs/dbraw/zinc/07/13/97/472071397.db2.gz SUNSPHNMPAOLNX-RBUKOAKNSA-N 2 2 345.487 2.049 10 0 EEAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cc2c(s1)CC[NH2+]C2 ZINC000662442033 472110326 /nfs/dbraw/zinc/11/03/26/472110326.db2.gz HZSFTLXROMTVDE-UHFFFAOYSA-N 2 2 344.362 2.083 10 0 EEAELP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)CC2([NH3+])CC2)CC1 ZINC000662744722 472231578 /nfs/dbraw/zinc/23/15/78/472231578.db2.gz DNJITRDZVQQUPY-INIZCTEOSA-N 2 2 337.414 2.442 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662798364 472255932 /nfs/dbraw/zinc/25/59/32/472255932.db2.gz PYBKHCRVVZOIFQ-CJNGLKHVSA-N 2 2 341.377 2.237 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662798364 472255938 /nfs/dbraw/zinc/25/59/38/472255938.db2.gz PYBKHCRVVZOIFQ-CJNGLKHVSA-N 2 2 341.377 2.237 10 0 EEAELP C[C@@H](NC(=O)[C@@H]([NH3+])c1ccccc1Br)c1[nH+]ccn1C ZINC000662934380 472302598 /nfs/dbraw/zinc/30/25/98/472302598.db2.gz NSFUXTIIBBHLJJ-SKDRFNHKSA-N 2 2 337.221 2.060 10 0 EEAELP CC[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000679044710 485573099 /nfs/dbraw/zinc/57/30/99/485573099.db2.gz PUDJKDLZRDHLJK-HSALFYBXSA-N 2 2 332.488 2.418 10 0 EEAELP CC[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000679044710 485573103 /nfs/dbraw/zinc/57/31/03/485573103.db2.gz PUDJKDLZRDHLJK-HSALFYBXSA-N 2 2 332.488 2.418 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1)CC2 ZINC000624760704 485679956 /nfs/dbraw/zinc/67/99/56/485679956.db2.gz FYYFWTKDYINJRO-SFHVURJKSA-N 2 2 340.471 2.344 10 0 EEAELP Cc1cc(C2CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)CC2)[nH]n1 ZINC000679863438 485830411 /nfs/dbraw/zinc/83/04/11/485830411.db2.gz VNFJIGNYWXYINY-LJQANCHMSA-N 2 2 342.487 2.390 10 0 EEAELP Cc1cc(C2CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)CC2)[nH]n1 ZINC000679863438 485830418 /nfs/dbraw/zinc/83/04/18/485830418.db2.gz VNFJIGNYWXYINY-LJQANCHMSA-N 2 2 342.487 2.390 10 0 EEAELP Cc1cc(C2CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)CC2)n[nH]1 ZINC000679863438 485830426 /nfs/dbraw/zinc/83/04/26/485830426.db2.gz VNFJIGNYWXYINY-LJQANCHMSA-N 2 2 342.487 2.390 10 0 EEAELP Cc1cc(C2CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)CC2)n[nH]1 ZINC000679863438 485830430 /nfs/dbraw/zinc/83/04/30/485830430.db2.gz VNFJIGNYWXYINY-LJQANCHMSA-N 2 2 342.487 2.390 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc[nH]c3C3CCC3)C2)CC1 ZINC000685191281 486087032 /nfs/dbraw/zinc/08/70/32/486087032.db2.gz YJNBQLQWSPCUCE-OAHLLOKOSA-N 2 2 330.476 2.181 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc[nH]c3C3CCC3)C2)CC1 ZINC000685191281 486087038 /nfs/dbraw/zinc/08/70/38/486087038.db2.gz YJNBQLQWSPCUCE-OAHLLOKOSA-N 2 2 330.476 2.181 10 0 EEAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000672956906 486242075 /nfs/dbraw/zinc/24/20/75/486242075.db2.gz CXEWGPKIDLLFHN-INIZCTEOSA-N 2 2 326.444 2.465 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000672956906 486242078 /nfs/dbraw/zinc/24/20/78/486242078.db2.gz CXEWGPKIDLLFHN-INIZCTEOSA-N 2 2 326.444 2.465 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000676664485 486276080 /nfs/dbraw/zinc/27/60/80/486276080.db2.gz WDMMWFOHAHPWFD-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(-c2ccccc2)s1 ZINC000676664485 486276084 /nfs/dbraw/zinc/27/60/84/486276084.db2.gz WDMMWFOHAHPWFD-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP CC[NH+](CC)CC1CC[NH+](Cn2ncn(CCOC)c2=S)CC1 ZINC000738070531 576389495 /nfs/dbraw/zinc/38/94/95/576389495.db2.gz IMMSHAUEVPKFDL-UHFFFAOYSA-N 2 2 341.525 2.072 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(-n2cc[nH+]c2)nc1 ZINC000727108083 576406448 /nfs/dbraw/zinc/40/64/48/576406448.db2.gz VAGHYVGLODYBOA-UHFFFAOYSA-N 2 2 331.339 2.100 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)c3ccnn3C)c2cc1C ZINC000774246097 577391545 /nfs/dbraw/zinc/39/15/45/577391545.db2.gz XHGIPIHRNZHOCS-LSDHHAIUSA-N 2 2 327.432 2.098 10 0 EEAELP CN(C(=O)C1=COCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000755212314 577821815 /nfs/dbraw/zinc/82/18/15/577821815.db2.gz RJOAREIWOSLTBW-RTBURBONSA-N 2 2 349.519 2.476 10 0 EEAELP CN(C(=O)C1=COCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000755212314 577821816 /nfs/dbraw/zinc/82/18/16/577821816.db2.gz RJOAREIWOSLTBW-RTBURBONSA-N 2 2 349.519 2.476 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000924355153 676513521 /nfs/dbraw/zinc/51/35/21/676513521.db2.gz BMUXTZQPEUPDII-QFBILLFUSA-N 2 2 336.524 2.234 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC[C@@]12C[C@@H]1CCCC2 ZINC000924355153 676513522 /nfs/dbraw/zinc/51/35/22/676513522.db2.gz BMUXTZQPEUPDII-QFBILLFUSA-N 2 2 336.524 2.234 10 0 EEAELP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(OC)n1 ZINC000924900274 681336982 /nfs/dbraw/zinc/33/69/82/681336982.db2.gz BTCKQYMGHGPGOJ-WBVHZDCISA-N 2 2 348.491 2.074 10 0 EEAELP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(OC)n1 ZINC000924900274 681336985 /nfs/dbraw/zinc/33/69/85/681336985.db2.gz BTCKQYMGHGPGOJ-WBVHZDCISA-N 2 2 348.491 2.074 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898494369 693340065 /nfs/dbraw/zinc/34/00/65/693340065.db2.gz LDNYEOLIDUJYMD-QGZVFWFLSA-N 2 2 348.466 2.157 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898494369 693340070 /nfs/dbraw/zinc/34/00/70/693340070.db2.gz LDNYEOLIDUJYMD-QGZVFWFLSA-N 2 2 348.466 2.157 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c[nH+]1 ZINC000899204501 693658592 /nfs/dbraw/zinc/65/85/92/693658592.db2.gz ASGMSQZEWORAAM-HNNXBMFYSA-N 2 2 327.432 2.059 10 0 EEAELP CCOCCC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001485663771 1191883787 /nfs/dbraw/zinc/88/37/87/1191883787.db2.gz FDURMSMAVWNGHH-KRWDZBQOSA-N 2 2 348.491 2.185 10 0 EEAELP CCOCCC[N@H+]1CCCC2(CN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001485663771 1191883789 /nfs/dbraw/zinc/88/37/89/1191883789.db2.gz FDURMSMAVWNGHH-KRWDZBQOSA-N 2 2 348.491 2.185 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001266494891 1176636789 /nfs/dbraw/zinc/63/67/89/1176636789.db2.gz CFFCBDPJXHYWAI-OAHLLOKOSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001266494891 1176636800 /nfs/dbraw/zinc/63/68/00/1176636800.db2.gz CFFCBDPJXHYWAI-OAHLLOKOSA-N 2 2 347.850 2.021 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001266569793 1176863123 /nfs/dbraw/zinc/86/31/23/1176863123.db2.gz LSTWEPAWNURJQD-HNNXBMFYSA-N 2 2 347.850 2.102 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001266622386 1177017628 /nfs/dbraw/zinc/01/76/28/1177017628.db2.gz BIZQWJHAVBPHFV-WKILWMFISA-N 2 2 346.862 2.475 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001480893871 1177633132 /nfs/dbraw/zinc/63/31/32/1177633132.db2.gz CHGZGBVLAGNCIM-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001480893871 1177633137 /nfs/dbraw/zinc/63/31/37/1177633137.db2.gz CHGZGBVLAGNCIM-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001267073109 1178192015 /nfs/dbraw/zinc/19/20/15/1178192015.db2.gz NWXRANWWDGKQLA-LKJUBWIJSA-N 2 2 338.455 2.425 10 0 EEAELP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267489456 1179160557 /nfs/dbraw/zinc/16/05/57/1179160557.db2.gz RXGJJYNAPMQUSS-ZBFHGGJFSA-N 2 2 336.455 2.022 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001267531879 1179281760 /nfs/dbraw/zinc/28/17/60/1179281760.db2.gz BMLQONNHUDLCEW-YESZJQIVSA-N 2 2 348.466 2.261 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001267531879 1179281765 /nfs/dbraw/zinc/28/17/65/1179281765.db2.gz BMLQONNHUDLCEW-YESZJQIVSA-N 2 2 348.466 2.261 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1nocc1C ZINC001481012449 1179492390 /nfs/dbraw/zinc/49/23/90/1179492390.db2.gz ZDYVRGPWEJILFG-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1nocc1C ZINC001481012449 1179492393 /nfs/dbraw/zinc/49/23/93/1179492393.db2.gz ZDYVRGPWEJILFG-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001481047117 1179619144 /nfs/dbraw/zinc/61/91/44/1179619144.db2.gz TVZGJRKSJBDGEM-HNNXBMFYSA-N 2 2 336.480 2.367 10 0 EEAELP CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001481047117 1179619149 /nfs/dbraw/zinc/61/91/49/1179619149.db2.gz TVZGJRKSJBDGEM-HNNXBMFYSA-N 2 2 336.480 2.367 10 0 EEAELP CO[C@@H](C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001481067458 1179670736 /nfs/dbraw/zinc/67/07/36/1179670736.db2.gz RXWSPGSUIMGUJL-AEFFLSMTSA-N 2 2 348.491 2.046 10 0 EEAELP CO[C@@H](C[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001481067458 1179670739 /nfs/dbraw/zinc/67/07/39/1179670739.db2.gz RXWSPGSUIMGUJL-AEFFLSMTSA-N 2 2 348.491 2.046 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001481411734 1181251891 /nfs/dbraw/zinc/25/18/91/1181251891.db2.gz IFTJCQCYVVQJQS-SJORKVTESA-N 2 2 348.491 2.453 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001481411734 1181251897 /nfs/dbraw/zinc/25/18/97/1181251897.db2.gz IFTJCQCYVVQJQS-SJORKVTESA-N 2 2 348.491 2.453 10 0 EEAELP COCC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268106970 1181750436 /nfs/dbraw/zinc/75/04/36/1181750436.db2.gz XTBRSQQQBHEGJN-INIZCTEOSA-N 2 2 332.448 2.023 10 0 EEAELP CC(C)C[C@@H](C[NH2+]Cc1cccc(Cl)n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268111726 1181756602 /nfs/dbraw/zinc/75/66/02/1181756602.db2.gz FMECMAZWSXTCMJ-HNNXBMFYSA-N 2 2 349.866 2.321 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@H]1CC[NH2+]CC1CC1 ZINC001268153002 1181843368 /nfs/dbraw/zinc/84/33/68/1181843368.db2.gz FZMIRROLRWTKKS-IRXDYDNUSA-N 2 2 330.476 2.216 10 0 EEAELP Cc1csc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)n1 ZINC001268164492 1181885880 /nfs/dbraw/zinc/88/58/80/1181885880.db2.gz AAUQIMIJGVNSSV-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)oc1C ZINC001691500224 1182059918 /nfs/dbraw/zinc/05/99/18/1182059918.db2.gz KJUQMLXIKYMBOI-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)oc1C ZINC001691500224 1182059922 /nfs/dbraw/zinc/05/99/22/1182059922.db2.gz KJUQMLXIKYMBOI-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001268377171 1182392311 /nfs/dbraw/zinc/39/23/11/1182392311.db2.gz HKDDFXZBWXYEDG-IMQMQEMRSA-N 2 2 345.274 2.249 10 0 EEAELP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001481780140 1182683360 /nfs/dbraw/zinc/68/33/60/1182683360.db2.gz ZJQOVANQBTXTAV-SJORKVTESA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001481780140 1182683369 /nfs/dbraw/zinc/68/33/69/1182683369.db2.gz ZJQOVANQBTXTAV-SJORKVTESA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001481780140 1182683373 /nfs/dbraw/zinc/68/33/73/1182683373.db2.gz ZJQOVANQBTXTAV-SJORKVTESA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001481780140 1182683379 /nfs/dbraw/zinc/68/33/79/1182683379.db2.gz ZJQOVANQBTXTAV-SJORKVTESA-N 2 2 348.491 2.056 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCO[C@H](C)C1)C(=O)c1cccc2[nH+]ccn21 ZINC001268464145 1182769849 /nfs/dbraw/zinc/76/98/49/1182769849.db2.gz AQYYMMAZHHSWEC-CVEARBPZSA-N 2 2 344.459 2.201 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)C)o1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268471193 1182832166 /nfs/dbraw/zinc/83/21/66/1182832166.db2.gz DAUPAJLTIQUFEQ-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]CC2(NC(=O)CCn3cc[nH+]c3)CCCC2)C1 ZINC001481901276 1182919676 /nfs/dbraw/zinc/91/96/76/1182919676.db2.gz CTXPASAPTKYMFZ-MRXNPFEDSA-N 2 2 348.491 2.107 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](CC[NH2+]Cc2ccsc2)C1 ZINC001481987799 1183087698 /nfs/dbraw/zinc/08/76/98/1183087698.db2.gz LCDQPRUQDSGZPX-OAHLLOKOSA-N 2 2 346.500 2.443 10 0 EEAELP Cc1ncccc1C[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001482006253 1183128105 /nfs/dbraw/zinc/12/81/05/1183128105.db2.gz QTAHVIPVSKOMDX-UHFFFAOYSA-N 2 2 341.459 2.074 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+]2CCCCC2)o1 ZINC001268630666 1183553389 /nfs/dbraw/zinc/55/33/89/1183553389.db2.gz OKXVWOIDISCTIL-APHBUQMISA-N 2 2 334.464 2.182 10 0 EEAELP CCc1nc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCC[NH+](C)C)o1 ZINC001268978937 1183872651 /nfs/dbraw/zinc/87/26/51/1183872651.db2.gz PUGDPDRMLLDMPX-HOTGVXAUSA-N 2 2 348.491 2.062 10 0 EEAELP CCc1nc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCC[NH+](C)C)o1 ZINC001268978937 1183872653 /nfs/dbraw/zinc/87/26/53/1183872653.db2.gz PUGDPDRMLLDMPX-HOTGVXAUSA-N 2 2 348.491 2.062 10 0 EEAELP C[C@@](C[NH2+]Cc1cccc(Cl)n1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001269637143 1184461768 /nfs/dbraw/zinc/46/17/68/1184461768.db2.gz APOXLKFTVZSDQE-KRWDZBQOSA-N 2 2 347.850 2.075 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001269877988 1184689127 /nfs/dbraw/zinc/68/91/27/1184689127.db2.gz XRQWWPYIJIQCLT-GOSISDBHSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@@H](CC(=O)N1CCC(CC[NH2+]C[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001269914423 1184713723 /nfs/dbraw/zinc/71/37/23/1184713723.db2.gz UZDPEPGELGSJRP-WMZOPIPTSA-N 2 2 348.491 2.089 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001270665795 1185285544 /nfs/dbraw/zinc/28/55/44/1185285544.db2.gz RSMZILRAQXNIIP-QGZVFWFLSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001270665795 1185285551 /nfs/dbraw/zinc/28/55/51/1185285551.db2.gz RSMZILRAQXNIIP-QGZVFWFLSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001270665795 1185285556 /nfs/dbraw/zinc/28/55/56/1185285556.db2.gz RSMZILRAQXNIIP-QGZVFWFLSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001270665795 1185285563 /nfs/dbraw/zinc/28/55/63/1185285563.db2.gz RSMZILRAQXNIIP-QGZVFWFLSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482373914 1185544503 /nfs/dbraw/zinc/54/45/03/1185544503.db2.gz KVQMMHPWZHKJAT-YJBOKZPZSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CCc1ccccc1 ZINC001271759572 1186464107 /nfs/dbraw/zinc/46/41/07/1186464107.db2.gz RZNPDRPUFKQMCF-IEBWSBKVSA-N 2 2 340.471 2.343 10 0 EEAELP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001482934347 1187854094 /nfs/dbraw/zinc/85/40/94/1187854094.db2.gz CHNHPFCIVSVWCN-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C/CNC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483025892 1188027945 /nfs/dbraw/zinc/02/79/45/1188027945.db2.gz ZXIHUNQEZKBGNE-CWDCEQMOSA-N 2 2 346.475 2.182 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC001409355479 1189567156 /nfs/dbraw/zinc/56/71/56/1189567156.db2.gz FQVSHMJSIAGEEM-WDEREUQCSA-N 2 2 338.814 2.428 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001409373261 1189595360 /nfs/dbraw/zinc/59/53/60/1189595360.db2.gz NJEGPRXAFFHXQC-UONOGXRCSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001409373261 1189595362 /nfs/dbraw/zinc/59/53/62/1189595362.db2.gz NJEGPRXAFFHXQC-UONOGXRCSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001485923984 1193641918 /nfs/dbraw/zinc/64/19/18/1193641918.db2.gz QFJPHYOZXSPZAJ-KBAYOESNSA-N 2 2 340.471 2.469 10 0 EEAELP COC[C@@H](C)[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001409772119 1190267247 /nfs/dbraw/zinc/26/72/47/1190267247.db2.gz CKEYWOBYMJTSKA-CVEARBPZSA-N 2 2 336.480 2.278 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccns1 ZINC001483393811 1190438567 /nfs/dbraw/zinc/43/85/67/1190438567.db2.gz VAXXGABXICDEHM-HOCLYGCPSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccns1 ZINC001483393811 1190438569 /nfs/dbraw/zinc/43/85/69/1190438569.db2.gz VAXXGABXICDEHM-HOCLYGCPSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccns1 ZINC001483393811 1190438572 /nfs/dbraw/zinc/43/85/72/1190438572.db2.gz VAXXGABXICDEHM-HOCLYGCPSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccns1 ZINC001483393811 1190438573 /nfs/dbraw/zinc/43/85/73/1190438573.db2.gz VAXXGABXICDEHM-HOCLYGCPSA-N 2 2 338.521 2.343 10 0 EEAELP C[C@H](C[N@H+](C)CC[C@@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001483426551 1190473415 /nfs/dbraw/zinc/47/34/15/1190473415.db2.gz FAEOTJMNPNQPNP-AEFFLSMTSA-N 2 2 340.471 2.440 10 0 EEAELP C[C@H](C[N@@H+](C)CC[C@@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001483426551 1190473420 /nfs/dbraw/zinc/47/34/20/1190473420.db2.gz FAEOTJMNPNQPNP-AEFFLSMTSA-N 2 2 340.471 2.440 10 0 EEAELP CC1CC(C[N@@H+]2CC[C@]3(NC(=O)CCn4cc[nH+]c4)CCC[C@H]23)C1 ZINC001486145320 1193696791 /nfs/dbraw/zinc/69/67/91/1193696791.db2.gz DFROZFRQFCGWLA-BXNZUYAZSA-N 2 2 330.476 2.433 10 0 EEAELP CC1CC(C[N@H+]2CC[C@]3(NC(=O)CCn4cc[nH+]c4)CCC[C@H]23)C1 ZINC001486145320 1193696793 /nfs/dbraw/zinc/69/67/93/1193696793.db2.gz DFROZFRQFCGWLA-BXNZUYAZSA-N 2 2 330.476 2.433 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001272598215 1190913410 /nfs/dbraw/zinc/91/34/10/1190913410.db2.gz BDBPFXAFXFOLAJ-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC001483770947 1191005561 /nfs/dbraw/zinc/00/55/61/1191005561.db2.gz KWVUQUKXQXCLOQ-MRXNPFEDSA-N 2 2 328.391 2.017 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N(C)C1C[NH+](CCOC(C)C)C1)c1ccccc1 ZINC001483884637 1191100418 /nfs/dbraw/zinc/10/04/18/1191100418.db2.gz FBEBTZDXONZKTH-LJQANCHMSA-N 2 2 347.503 2.247 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N(C)C1C[NH+](CCOC(C)C)C1)c1ccccc1 ZINC001483884637 1191100422 /nfs/dbraw/zinc/10/04/22/1191100422.db2.gz FBEBTZDXONZKTH-LJQANCHMSA-N 2 2 347.503 2.247 10 0 EEAELP CCOCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483933865 1191123230 /nfs/dbraw/zinc/12/32/30/1191123230.db2.gz CROYLAYDIBGNAL-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]Cc2nccs2)C1)c1c[nH+]c[nH]1 ZINC001484121993 1191221765 /nfs/dbraw/zinc/22/17/65/1191221765.db2.gz NMSORBBVJBPXJD-KRWDZBQOSA-N 2 2 347.488 2.172 10 0 EEAELP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001484172724 1191252364 /nfs/dbraw/zinc/25/23/64/1191252364.db2.gz AIEQWVMIDCHELX-LJQANCHMSA-N 2 2 326.444 2.302 10 0 EEAELP C[C@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001484172724 1191252366 /nfs/dbraw/zinc/25/23/66/1191252366.db2.gz AIEQWVMIDCHELX-LJQANCHMSA-N 2 2 326.444 2.302 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001484467193 1191371859 /nfs/dbraw/zinc/37/18/59/1191371859.db2.gz CVEFKBGCAOYNOX-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001484467193 1191371861 /nfs/dbraw/zinc/37/18/61/1191371861.db2.gz CVEFKBGCAOYNOX-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001484546155 1191408052 /nfs/dbraw/zinc/40/80/52/1191408052.db2.gz DGFWFAMCYMHMDV-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP CC(C)=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)O2 ZINC001484788133 1191525954 /nfs/dbraw/zinc/52/59/54/1191525954.db2.gz RSZPIBIDVPPGLD-SFHVURJKSA-N 2 2 349.519 2.034 10 0 EEAELP Cc1nc(C[NH2+]CC2CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c(C)o1 ZINC001485106165 1191656324 /nfs/dbraw/zinc/65/63/24/1191656324.db2.gz VJMRODOJCRQAEP-JQRITLKVSA-N 2 2 345.447 2.124 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001485234523 1191700772 /nfs/dbraw/zinc/70/07/72/1191700772.db2.gz LSHOILQSVIIJOE-DLBZAZTESA-N 2 2 328.460 2.307 10 0 EEAELP Cc1cnc(C[NH+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001485312989 1191729792 /nfs/dbraw/zinc/72/97/92/1191729792.db2.gz KKWFAIFXPOHHJU-UKRRQHHQSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[NH+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)s1 ZINC001485312989 1191729794 /nfs/dbraw/zinc/72/97/94/1191729794.db2.gz KKWFAIFXPOHHJU-UKRRQHHQSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[N@@H+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)s1 ZINC001485312989 1191729795 /nfs/dbraw/zinc/72/97/95/1191729795.db2.gz KKWFAIFXPOHHJU-UKRRQHHQSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[N@H+](C)[C@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)s1 ZINC001485312989 1191729797 /nfs/dbraw/zinc/72/97/97/1191729797.db2.gz KKWFAIFXPOHHJU-UKRRQHHQSA-N 2 2 338.521 2.262 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CC1=CCCCC1 ZINC001485321470 1191734304 /nfs/dbraw/zinc/73/43/04/1191734304.db2.gz WXZIMCJTIDUERP-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CC1=CCCCC1 ZINC001485321470 1191734305 /nfs/dbraw/zinc/73/43/05/1191734305.db2.gz WXZIMCJTIDUERP-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001485341841 1191746447 /nfs/dbraw/zinc/74/64/47/1191746447.db2.gz LQQZDIAKSYEUNN-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001485341841 1191746449 /nfs/dbraw/zinc/74/64/49/1191746449.db2.gz LQQZDIAKSYEUNN-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001485341841 1191746451 /nfs/dbraw/zinc/74/64/51/1191746451.db2.gz LQQZDIAKSYEUNN-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001485341841 1191746453 /nfs/dbraw/zinc/74/64/53/1191746453.db2.gz LQQZDIAKSYEUNN-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCCCC2)no1 ZINC001485453698 1191790979 /nfs/dbraw/zinc/79/09/79/1191790979.db2.gz FKYFAQXJOURILJ-KRWDZBQOSA-N 2 2 348.491 2.376 10 0 EEAELP Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CCCCC2)no1 ZINC001485453698 1191790981 /nfs/dbraw/zinc/79/09/81/1191790981.db2.gz FKYFAQXJOURILJ-KRWDZBQOSA-N 2 2 348.491 2.376 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH2+]Cc1nc(C)c(C)o1)C(C)(C)C ZINC001486404744 1193928886 /nfs/dbraw/zinc/92/88/86/1193928886.db2.gz KHEAFKMLYFWKBM-OAHLLOKOSA-N 2 2 347.463 2.117 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]CCCc2ccccc2)C1 ZINC001486481706 1193995281 /nfs/dbraw/zinc/99/52/81/1193995281.db2.gz ZROULGDSXGVRBE-UHFFFAOYSA-N 2 2 340.471 2.472 10 0 EEAELP Cc1oncc1C[N@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001410043878 1197519446 /nfs/dbraw/zinc/51/94/46/1197519446.db2.gz ZXMGHKRWECJCJO-BBRMVZONSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1oncc1C[N@@H+]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001410043878 1197519448 /nfs/dbraw/zinc/51/94/48/1197519448.db2.gz ZXMGHKRWECJCJO-BBRMVZONSA-N 2 2 345.447 2.157 10 0 EEAELP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001410291644 1197667485 /nfs/dbraw/zinc/66/74/85/1197667485.db2.gz GZTTZXWEDUHKNN-DLBZAZTESA-N 2 2 330.476 2.072 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc2cncc(C)c2)c[nH+]1 ZINC001410391492 1197791655 /nfs/dbraw/zinc/79/16/55/1197791655.db2.gz JLAIAWVUQQLGOB-OAHLLOKOSA-N 2 2 343.475 2.267 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154056 1198060631 /nfs/dbraw/zinc/06/06/31/1198060631.db2.gz SAZSUPXPWLRRHL-DZJHOTPTSA-N 2 2 329.488 2.356 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154056 1198060639 /nfs/dbraw/zinc/06/06/39/1198060639.db2.gz SAZSUPXPWLRRHL-DZJHOTPTSA-N 2 2 329.488 2.356 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH2+]Cc1cscn1 ZINC001410513091 1198068629 /nfs/dbraw/zinc/06/86/29/1198068629.db2.gz OSTRSIHEMYTYGE-WMLDXEAASA-N 2 2 346.500 2.383 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)C1CC1 ZINC000336882057 1198246115 /nfs/dbraw/zinc/24/61/15/1198246115.db2.gz VSXYMVCEPATBFA-ZDUSSCGKSA-N 2 2 346.397 2.063 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)C1CC1 ZINC000336882057 1198246119 /nfs/dbraw/zinc/24/61/19/1198246119.db2.gz VSXYMVCEPATBFA-ZDUSSCGKSA-N 2 2 346.397 2.063 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(CNc2nc(N)[nH+]c3c2CCCC3)cn1 ZINC000825618152 1198263343 /nfs/dbraw/zinc/26/33/43/1198263343.db2.gz JNAYETCQKYHPEL-UHFFFAOYSA-N 2 2 335.415 2.439 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C2)sn1 ZINC001410972234 1198650365 /nfs/dbraw/zinc/65/03/65/1198650365.db2.gz XUGFUCNCSSCARB-GJZGRUSLSA-N 2 2 347.488 2.113 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706913 1201585582 /nfs/dbraw/zinc/58/55/82/1201585582.db2.gz FZEQIMAQTAGRIA-OAHLLOKOSA-N 2 2 337.430 2.484 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866706913 1201585584 /nfs/dbraw/zinc/58/55/84/1201585584.db2.gz FZEQIMAQTAGRIA-OAHLLOKOSA-N 2 2 337.430 2.484 10 0 EEAELP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866708607 1201585808 /nfs/dbraw/zinc/58/58/08/1201585808.db2.gz SBTSVMZTCRWCMT-IBGZPJMESA-N 2 2 347.459 2.109 10 0 EEAELP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866708607 1201585813 /nfs/dbraw/zinc/58/58/13/1201585813.db2.gz SBTSVMZTCRWCMT-IBGZPJMESA-N 2 2 347.459 2.109 10 0 EEAELP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2csc(Cl)n2)CCC1 ZINC001274088502 1204364199 /nfs/dbraw/zinc/36/41/99/1204364199.db2.gz HUWPGBLSBLUDJX-ARJAWSKDSA-N 2 2 342.896 2.043 10 0 EEAELP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001275100479 1205256054 /nfs/dbraw/zinc/25/60/54/1205256054.db2.gz LPOFVILTIYDWNH-RTBURBONSA-N 2 2 349.519 2.130 10 0 EEAELP C[N@@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001275100479 1205256055 /nfs/dbraw/zinc/25/60/55/1205256055.db2.gz LPOFVILTIYDWNH-RTBURBONSA-N 2 2 349.519 2.130 10 0 EEAELP C[NH+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001275100479 1205256058 /nfs/dbraw/zinc/25/60/58/1205256058.db2.gz LPOFVILTIYDWNH-RTBURBONSA-N 2 2 349.519 2.130 10 0 EEAELP C[NH+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001275100479 1205256059 /nfs/dbraw/zinc/25/60/59/1205256059.db2.gz LPOFVILTIYDWNH-RTBURBONSA-N 2 2 349.519 2.130 10 0 EEAELP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001412129633 1205652529 /nfs/dbraw/zinc/65/25/29/1205652529.db2.gz XWMBLENXMJSMBP-APWZRJJASA-N 2 2 345.487 2.212 10 0 EEAELP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001412129633 1205652530 /nfs/dbraw/zinc/65/25/30/1205652530.db2.gz XWMBLENXMJSMBP-APWZRJJASA-N 2 2 345.487 2.212 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000924643809 1206009208 /nfs/dbraw/zinc/00/92/08/1206009208.db2.gz QADLHLKXHVFGNV-NJYVYQBISA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000924643809 1206009209 /nfs/dbraw/zinc/00/92/09/1206009209.db2.gz QADLHLKXHVFGNV-NJYVYQBISA-N 2 2 344.499 2.200 10 0 EEAELP Fc1cncc(F)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000929418815 1206472979 /nfs/dbraw/zinc/47/29/79/1206472979.db2.gz MEYZJEHCLHPNLY-UHFFFAOYSA-N 2 2 325.403 2.294 10 0 EEAELP CC[C@H](F)C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001691735836 1210525220 /nfs/dbraw/zinc/52/52/20/1210525220.db2.gz AFKHCJBMWSKLPF-CVEARBPZSA-N 2 2 338.471 2.410 10 0 EEAELP CC[C@H](F)C[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001691735836 1210525222 /nfs/dbraw/zinc/52/52/22/1210525222.db2.gz AFKHCJBMWSKLPF-CVEARBPZSA-N 2 2 338.471 2.410 10 0 EEAELP CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900522472 1234441126 /nfs/dbraw/zinc/44/11/26/1234441126.db2.gz DKDTZRSRAHAGLH-INIZCTEOSA-N 2 2 343.475 2.455 10 0 EEAELP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900522472 1234441127 /nfs/dbraw/zinc/44/11/27/1234441127.db2.gz DKDTZRSRAHAGLH-INIZCTEOSA-N 2 2 343.475 2.455 10 0 EEAELP C/C(=C\C(=O)NCCCCC[NH+]1CCCCC1)C[NH+]1CCOCC1 ZINC000900659600 1234621692 /nfs/dbraw/zinc/62/16/92/1234621692.db2.gz OHDPDRMYZLFEFY-FBMGVBCBSA-N 2 2 337.508 2.037 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](O)c3ccccc32)CC1 ZINC000827173497 1250462250 /nfs/dbraw/zinc/46/22/50/1250462250.db2.gz XLLIHOQDZWOBGH-ROUUACIJSA-N 2 2 332.444 2.172 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CC[C@H]1CCCCO1 ZINC001491502751 1259152515 /nfs/dbraw/zinc/15/25/15/1259152515.db2.gz CCCNCBPZHSSDOQ-DZGCQCFKSA-N 2 2 330.432 2.230 10 0 EEAELP Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001491507367 1259158512 /nfs/dbraw/zinc/15/85/12/1259158512.db2.gz IYFNTCFVHIBMQP-IRXDYDNUSA-N 2 2 340.471 2.357 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001488965909 1290297282 /nfs/dbraw/zinc/29/72/82/1290297282.db2.gz KQPWZHQASHDVFA-ZWKOTPCHSA-N 2 2 340.471 2.378 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001490722074 1291606008 /nfs/dbraw/zinc/60/60/08/1291606008.db2.gz HZYYIWKUYMKXNH-WBMJQRKESA-N 2 2 332.473 2.334 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001490722074 1291606018 /nfs/dbraw/zinc/60/60/18/1291606018.db2.gz HZYYIWKUYMKXNH-WBMJQRKESA-N 2 2 332.473 2.334 10 0 EEAELP CCCCCC[C@@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)C(=O)OC ZINC000851803319 1291846302 /nfs/dbraw/zinc/84/63/02/1291846302.db2.gz QGIYQJUFSBWEDT-GOSISDBHSA-N 2 2 337.464 2.395 10 0 EEAELP COc1cnc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000877191281 1296618292 /nfs/dbraw/zinc/61/82/92/1296618292.db2.gz NPOAWBKPWZNMGH-QGZVFWFLSA-N 2 2 345.418 2.086 10 0 EEAELP COc1cnc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000877191281 1296618310 /nfs/dbraw/zinc/61/83/10/1296618310.db2.gz NPOAWBKPWZNMGH-QGZVFWFLSA-N 2 2 345.418 2.086 10 0 EEAELP CCO[C@H](C[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21)C[NH+](C)C ZINC000926960634 1296970684 /nfs/dbraw/zinc/97/06/84/1296970684.db2.gz MYFZRDXIDSZOEA-SJLPKXTDSA-N 2 2 334.460 2.407 10 0 EEAELP Cc1cccnc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001277210925 1301837108 /nfs/dbraw/zinc/83/71/08/1301837108.db2.gz RUUKEPPDEIXGBK-ARFHVFGLSA-N 2 2 341.459 2.291 10 0 EEAELP Cc1cccnc1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001277210925 1301837125 /nfs/dbraw/zinc/83/71/25/1301837125.db2.gz RUUKEPPDEIXGBK-ARFHVFGLSA-N 2 2 341.459 2.291 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(C1)CCC[N@@H+](CCCCCF)C2 ZINC001277473722 1303561423 /nfs/dbraw/zinc/56/14/23/1303561423.db2.gz IOXHNXQURBMZFY-SFHVURJKSA-N 2 2 336.455 2.407 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@]2(C1)CCC[N@H+](CCCCCF)C2 ZINC001277473722 1303561425 /nfs/dbraw/zinc/56/14/25/1303561425.db2.gz IOXHNXQURBMZFY-SFHVURJKSA-N 2 2 336.455 2.407 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001277965171 1305353572 /nfs/dbraw/zinc/35/35/72/1305353572.db2.gz JTRKCIGRTBBARB-CQSZACIVSA-N 2 2 348.397 2.054 10 0 EEAELP COCCC[N@H+](C)CC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843399739 1315907849 /nfs/dbraw/zinc/90/78/49/1315907849.db2.gz KMBOZNLLTVUBGK-HOTGVXAUSA-N 2 2 343.512 2.190 10 0 EEAELP COCCC[N@@H+](C)CC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843399739 1315907851 /nfs/dbraw/zinc/90/78/51/1315907851.db2.gz KMBOZNLLTVUBGK-HOTGVXAUSA-N 2 2 343.512 2.190 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)C[N@H+](Cc2ccccc2)C1 ZINC000843420136 1315911869 /nfs/dbraw/zinc/91/18/69/1315911869.db2.gz MYQIIEMTSQYDQJ-WMZOPIPTSA-N 2 2 327.476 2.248 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCc2ncn(C)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000843420136 1315911872 /nfs/dbraw/zinc/91/18/72/1315911872.db2.gz MYQIIEMTSQYDQJ-WMZOPIPTSA-N 2 2 327.476 2.248 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843493122 1315923329 /nfs/dbraw/zinc/92/33/29/1315923329.db2.gz QSBGZDYZFUDFBY-UXEPBGEESA-N 2 2 339.842 2.340 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843493122 1315923330 /nfs/dbraw/zinc/92/33/30/1315923330.db2.gz QSBGZDYZFUDFBY-UXEPBGEESA-N 2 2 339.842 2.340 10 0 EEAELP C[C@@]1(C[NH2+]Cc2cccc(Cl)n2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278568221 1317253876 /nfs/dbraw/zinc/25/38/76/1317253876.db2.gz UMBOWHPPPXAJPM-KRWDZBQOSA-N 2 2 347.850 2.029 10 0 EEAELP COCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001264553448 1322730815 /nfs/dbraw/zinc/73/08/15/1322730815.db2.gz MTKMKPHYKIVUDZ-HIFRSBDPSA-N 2 2 330.432 2.040 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CCc2cccs2)C1 ZINC001264560818 1322732498 /nfs/dbraw/zinc/73/24/98/1322732498.db2.gz VFXRGACFVZVKAH-ZBFHGGJFSA-N 2 2 346.500 2.473 10 0 EEAELP CCOCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001265085469 1322913139 /nfs/dbraw/zinc/91/31/39/1322913139.db2.gz FSMGAEZXBUIVTL-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1nc(C)c(C)s1 ZINC001265123226 1322933033 /nfs/dbraw/zinc/93/30/33/1322933033.db2.gz GHKZEVCQNYFIPZ-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1nc(C)c(C)s1 ZINC001265123226 1322933037 /nfs/dbraw/zinc/93/30/37/1322933037.db2.gz GHKZEVCQNYFIPZ-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP CO[C@H](C)C[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001265161464 1322958122 /nfs/dbraw/zinc/95/81/22/1322958122.db2.gz ODEQTMLGCBVHQM-OAHLLOKOSA-N 2 2 344.459 2.262 10 0 EEAELP CO[C@H](C)C[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001265161464 1322958128 /nfs/dbraw/zinc/95/81/28/1322958128.db2.gz ODEQTMLGCBVHQM-OAHLLOKOSA-N 2 2 344.459 2.262 10 0 EEAELP 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EEAELP COCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001324557983 1333709485 /nfs/dbraw/zinc/70/94/85/1333709485.db2.gz XBDDLJIEGVLOMP-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP COCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001324870249 1333778020 /nfs/dbraw/zinc/77/80/20/1333778020.db2.gz WWUFXFFDIHESCF-HZPDHXFCSA-N 2 2 348.491 2.158 10 0 EEAELP COCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001324870249 1333778023 /nfs/dbraw/zinc/77/80/23/1333778023.db2.gz WWUFXFFDIHESCF-HZPDHXFCSA-N 2 2 348.491 2.158 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc3cccnc3)ccn12 ZINC001329037103 1334573075 /nfs/dbraw/zinc/57/30/75/1334573075.db2.gz PNJKPXAPLNPHGV-LSDHHAIUSA-N 2 2 337.427 2.334 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCc1ccsc1 ZINC001329170676 1334599282 /nfs/dbraw/zinc/59/92/82/1334599282.db2.gz JGZOHFYBNBWNGR-OLZOCXBDSA-N 2 2 334.489 2.438 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC(C)(C)C[NH2+]CCCF)c[nH+]1 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/nfs/dbraw/zinc/13/13/01/1342131301.db2.gz QSWICBOVRYCJSH-OAHLLOKOSA-N 2 2 346.397 2.276 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@]1(C)CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001500280892 1342131303 /nfs/dbraw/zinc/13/13/03/1342131303.db2.gz QSWICBOVRYCJSH-OAHLLOKOSA-N 2 2 346.397 2.276 10 0 EEAELP CC(C)OCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001567796101 1342841719 /nfs/dbraw/zinc/84/17/19/1342841719.db2.gz IHRSRMDPZRVPBG-SFHVURJKSA-N 2 2 337.508 2.009 10 0 EEAELP CC(C)OCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001567796101 1342841727 /nfs/dbraw/zinc/84/17/27/1342841727.db2.gz IHRSRMDPZRVPBG-SFHVURJKSA-N 2 2 337.508 2.009 10 0 EEAELP CCOCC[N@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001570196482 1343031639 /nfs/dbraw/zinc/03/16/39/1343031639.db2.gz INZQEJRBKWACAD-UHFFFAOYSA-N 2 2 332.448 2.073 10 0 EEAELP CCOCC[N@@H+](C)CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001570196482 1343031643 /nfs/dbraw/zinc/03/16/43/1343031643.db2.gz INZQEJRBKWACAD-UHFFFAOYSA-N 2 2 332.448 2.073 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1C ZINC001571455711 1343211762 /nfs/dbraw/zinc/21/17/62/1343211762.db2.gz RJVRVKSPCCZUQL-DOTOQJQBSA-N 2 2 330.476 2.307 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001571458082 1343212382 /nfs/dbraw/zinc/21/23/82/1343212382.db2.gz HMBCFUGVFIMCSI-DZGCQCFKSA-N 2 2 330.432 2.181 10 0 EEAELP C[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2ccc(F)cc2F)CC1 ZINC001571693711 1343276217 /nfs/dbraw/zinc/27/62/17/1343276217.db2.gz JJGHRLQWIFVZEF-UHFFFAOYSA-N 2 2 337.414 2.165 10 0 EEAELP C[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2ccc(F)cc2F)CC1 ZINC001571693711 1343276227 /nfs/dbraw/zinc/27/62/27/1343276227.db2.gz JJGHRLQWIFVZEF-UHFFFAOYSA-N 2 2 337.414 2.165 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001676768920 1357197285 /nfs/dbraw/zinc/19/72/85/1357197285.db2.gz XXCNFLCJJVZSAF-VXGBXAGGSA-N 2 2 332.370 2.264 10 0 EEAELP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001677623963 1357376606 /nfs/dbraw/zinc/37/66/06/1357376606.db2.gz IAKXQKBDWSJSQB-MRXNPFEDSA-N 2 2 345.491 2.018 10 0 EEAELP CCC[N@@H+](C)CCC(=O)NCC1=CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC001677623963 1357376607 /nfs/dbraw/zinc/37/66/07/1357376607.db2.gz IAKXQKBDWSJSQB-MRXNPFEDSA-N 2 2 345.491 2.018 10 0 EEAELP CCC[NH+](C)CCC(=O)NCC1=CC[N@@H+]([C@H](C)c2ncccn2)CC1 ZINC001677623963 1357376609 /nfs/dbraw/zinc/37/66/09/1357376609.db2.gz IAKXQKBDWSJSQB-MRXNPFEDSA-N 2 2 345.491 2.018 10 0 EEAELP CCC[NH+](C)CCC(=O)NCC1=CC[N@H+]([C@H](C)c2ncccn2)CC1 ZINC001677623963 1357376612 /nfs/dbraw/zinc/37/66/12/1357376612.db2.gz IAKXQKBDWSJSQB-MRXNPFEDSA-N 2 2 345.491 2.018 10 0 EEAELP CC1CC[NH+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccc2O)CC1 ZINC001628726889 1352541770 /nfs/dbraw/zinc/54/17/70/1352541770.db2.gz VOKXKAXSIDMSHJ-UHFFFAOYSA-N 2 2 342.443 2.430 10 0 EEAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC001650058867 1353705232 /nfs/dbraw/zinc/70/52/32/1353705232.db2.gz NZELGNJCGVLZNF-INIZCTEOSA-N 2 2 334.460 2.289 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001656077568 1354196514 /nfs/dbraw/zinc/19/65/14/1354196514.db2.gz JQTVWVIXQFWWCN-IMBPEULASA-N 2 2 330.476 2.335 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001656077568 1354196516 /nfs/dbraw/zinc/19/65/16/1354196516.db2.gz JQTVWVIXQFWWCN-IMBPEULASA-N 2 2 330.476 2.335 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)Cc1ccsc1 ZINC001660197648 1354415035 /nfs/dbraw/zinc/41/50/35/1354415035.db2.gz HSHZMEIYUGEQLX-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)Cc1ccsc1 ZINC001660197648 1354415041 /nfs/dbraw/zinc/41/50/41/1354415041.db2.gz HSHZMEIYUGEQLX-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001661694295 1354673121 /nfs/dbraw/zinc/67/31/21/1354673121.db2.gz JWZYHXMUJLXUBO-HDICACEKSA-N 2 2 326.444 2.061 10 0 EEAELP CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001662809149 1354850875 /nfs/dbraw/zinc/85/08/75/1354850875.db2.gz BOSCPSUWJARBTL-GOSISDBHSA-N 2 2 340.471 2.304 10 0 EEAELP COCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001662839277 1354860791 /nfs/dbraw/zinc/86/07/91/1354860791.db2.gz QNULWQPJZDTSGI-QGZVFWFLSA-N 2 2 344.459 2.216 10 0 EEAELP COCCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001662839277 1354860794 /nfs/dbraw/zinc/86/07/94/1354860794.db2.gz QNULWQPJZDTSGI-QGZVFWFLSA-N 2 2 344.459 2.216 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)no1 ZINC001664395535 1355154379 /nfs/dbraw/zinc/15/43/79/1355154379.db2.gz SXTXGRQANSVLFA-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP C[C@](C[NH2+]CCC(F)(F)F)(NC(=O)CCc1c[nH]c[nH+]1)C1CC1 ZINC001666000960 1355422637 /nfs/dbraw/zinc/42/26/37/1355422637.db2.gz VGGHWOUHISJGET-CQSZACIVSA-N 2 2 332.370 2.169 10 0 EEAELP C[C@](C[NH2+]CCC(F)(F)F)(NC(=O)CCc1c[nH+]c[nH]1)C1CC1 ZINC001666000960 1355422640 /nfs/dbraw/zinc/42/26/40/1355422640.db2.gz VGGHWOUHISJGET-CQSZACIVSA-N 2 2 332.370 2.169 10 0 EEAELP COCC[NH2+]C[C@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001666011997 1355425653 /nfs/dbraw/zinc/42/56/53/1355425653.db2.gz UCDGLZQUUMUFDS-IBGZPJMESA-N 2 2 342.443 2.007 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)o1 ZINC001667312669 1355706716 /nfs/dbraw/zinc/70/67/16/1355706716.db2.gz MRBIKQBXOYOLBI-MRXNPFEDSA-N 2 2 345.447 2.049 10 0 EEAELP CN(CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)CCn1cc[nH+]c1 ZINC001667603910 1355768821 /nfs/dbraw/zinc/76/88/21/1355768821.db2.gz RXDFDLUUDVZWMB-CYBMUJFWSA-N 2 2 347.290 2.247 10 0 EEAELP CN(CC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)CCn1cc[nH+]c1 ZINC001667603910 1355768829 /nfs/dbraw/zinc/76/88/29/1355768829.db2.gz RXDFDLUUDVZWMB-CYBMUJFWSA-N 2 2 347.290 2.247 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001670145156 1356285282 /nfs/dbraw/zinc/28/52/82/1356285282.db2.gz VKUXWCNCGWQKCH-HNNXBMFYSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC001670313389 1356316877 /nfs/dbraw/zinc/31/68/77/1356316877.db2.gz ZMPQQHVVFAWXRU-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001671753118 1356407885 /nfs/dbraw/zinc/40/78/85/1356407885.db2.gz NODWIDPPQZLOPU-LPHOPBHVSA-N 2 2 330.476 2.240 10 0 EEAELP C[C@@]1(C[NH2+]C/C=C\c2ccccc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001671790365 1356415035 /nfs/dbraw/zinc/41/50/35/1356415035.db2.gz QUVJDGXYEIGRHX-VORVDVFJSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001671814775 1356420209 /nfs/dbraw/zinc/42/02/09/1356420209.db2.gz DJTPFZUEGZEKQJ-OAHLLOKOSA-N 2 2 346.397 2.444 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001672904920 1356611651 /nfs/dbraw/zinc/61/16/51/1356611651.db2.gz HONNUBYIZLFBOK-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@H]1C[NH2+]CC[C@H](C)F ZINC001674382616 1356825611 /nfs/dbraw/zinc/82/56/11/1356825611.db2.gz JTMHQXPDVSMJBJ-HOCLYGCPSA-N 2 2 337.439 2.352 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]CCc2cccs2)C1 ZINC001674587233 1356860667 /nfs/dbraw/zinc/86/06/67/1356860667.db2.gz DGJSOTWRQIHXOP-WLYUNCDWSA-N 2 2 346.500 2.377 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]CCc2cccs2)C1 ZINC001674587233 1356860670 /nfs/dbraw/zinc/86/06/70/1356860670.db2.gz DGJSOTWRQIHXOP-WLYUNCDWSA-N 2 2 346.500 2.377 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001674711253 1356881565 /nfs/dbraw/zinc/88/15/65/1356881565.db2.gz XQCWVRBCJOWGMN-STQMWFEESA-N 2 2 335.839 2.005 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001699116359 1405271070 /nfs/dbraw/zinc/27/10/70/1405271070.db2.gz XCWSIZZPCRRRHI-FUHWJXTLSA-N 2 2 340.471 2.439 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001699279237 1405311320 /nfs/dbraw/zinc/31/13/20/1405311320.db2.gz WQSIZJPMBRCFME-CWDCEQMOSA-N 2 2 330.476 2.144 10 0 EEAELP CCOCCC[N@H+](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001699440224 1405357146 /nfs/dbraw/zinc/35/71/46/1405357146.db2.gz BMOKXAYXLXNDEE-AWEZNQCLSA-N 2 2 332.448 2.119 10 0 EEAELP CCOCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001699440224 1405357154 /nfs/dbraw/zinc/35/71/54/1405357154.db2.gz BMOKXAYXLXNDEE-AWEZNQCLSA-N 2 2 332.448 2.119 10 0 EEAELP C[NH+]1C[C@]2(C)CN(C(=O)C[C@H](n3cc[nH+]c3)C(F)(F)F)C[C@@]2(C)C1 ZINC000913276445 788752737 /nfs/dbraw/zinc/75/27/37/788752737.db2.gz ZOZISDODBGRABW-NWANDNLSSA-N 2 2 344.381 2.177 10 0 EEAELP CC[NH2+]CC(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000844201909 788922627 /nfs/dbraw/zinc/92/26/27/788922627.db2.gz CHGYMQSLRJOWOO-MAUKXSAKSA-N 2 2 332.492 2.058 10 0 EEAELP CC[NH2+]CC(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000844201909 788922633 /nfs/dbraw/zinc/92/26/33/788922633.db2.gz CHGYMQSLRJOWOO-MAUKXSAKSA-N 2 2 332.492 2.058 10 0 EEAELP Cn1nc2c(c1C[NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)COCC2 ZINC000921587619 789812668 /nfs/dbraw/zinc/81/26/68/789812668.db2.gz AXBXGOWNMWJSQX-UHFFFAOYSA-N 2 2 341.390 2.107 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C3C[C@H]4CC[C@@H](C3)S4)c2)CC1 ZINC000913666264 794059026 /nfs/dbraw/zinc/05/90/26/794059026.db2.gz WVXNLIOJMWREQL-VHRNVKJDSA-N 2 2 346.500 2.446 10 0 EEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1sccc1Br ZINC000713034098 794552411 /nfs/dbraw/zinc/55/24/11/794552411.db2.gz FBJDEMLFGXNAFL-WDEREUQCSA-N 2 2 333.295 2.410 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000921962367 798428260 /nfs/dbraw/zinc/42/82/60/798428260.db2.gz YBISOHHUGQOQTO-QGZVFWFLSA-N 2 2 339.443 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000921962367 798428266 /nfs/dbraw/zinc/42/82/66/798428266.db2.gz YBISOHHUGQOQTO-QGZVFWFLSA-N 2 2 339.443 2.184 10 0 EEAELP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1n[nH]c3ccccc31)C2 ZINC000922386398 800944287 /nfs/dbraw/zinc/94/42/87/800944287.db2.gz HCZVMAWNVNJILH-OQIJWPOYSA-N 2 2 328.460 2.132 10 0 EEAELP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1n[nH]c3ccccc31)C2 ZINC000922386398 800944292 /nfs/dbraw/zinc/94/42/92/800944292.db2.gz HCZVMAWNVNJILH-OQIJWPOYSA-N 2 2 328.460 2.132 10 0 EEAELP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922510280 801213113 /nfs/dbraw/zinc/21/31/13/801213113.db2.gz MAFXBXCPUXXBBJ-ZDUSSCGKSA-N 2 2 341.525 2.124 10 0 EEAELP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922510280 801213118 /nfs/dbraw/zinc/21/31/18/801213118.db2.gz MAFXBXCPUXXBBJ-ZDUSSCGKSA-N 2 2 341.525 2.124 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCCCCF ZINC001566094338 1125556629 /nfs/dbraw/zinc/55/66/29/1125556629.db2.gz JJNJLPCFYCNGTM-OAGGEKHMSA-N 2 2 336.455 2.164 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCCCCF ZINC001566094338 1125556634 /nfs/dbraw/zinc/55/66/34/1125556634.db2.gz JJNJLPCFYCNGTM-OAGGEKHMSA-N 2 2 336.455 2.164 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](C)CC1=CCCCC1 ZINC001566492412 1125657176 /nfs/dbraw/zinc/65/71/76/1125657176.db2.gz GMDPWUIYJMRMEV-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](C)CC1=CCCCC1 ZINC001566492412 1125657181 /nfs/dbraw/zinc/65/71/81/1125657181.db2.gz GMDPWUIYJMRMEV-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[N@H+](C)Cc1cccc(F)c1 ZINC001566512762 1125682727 /nfs/dbraw/zinc/68/27/27/1125682727.db2.gz DFASKBKXXFXMSW-UHFFFAOYSA-N 2 2 332.423 2.130 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[N@@H+](C)Cc1cccc(F)c1 ZINC001566512762 1125682730 /nfs/dbraw/zinc/68/27/30/1125682730.db2.gz DFASKBKXXFXMSW-UHFFFAOYSA-N 2 2 332.423 2.130 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)CC(C)C ZINC001566563556 1125738282 /nfs/dbraw/zinc/73/82/82/1125738282.db2.gz ZBEQFTJCPWKDJW-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)CC(C)C ZINC001566563556 1125738287 /nfs/dbraw/zinc/73/82/87/1125738287.db2.gz ZBEQFTJCPWKDJW-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC[NH+](CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CC(C)C ZINC001566563556 1125738293 /nfs/dbraw/zinc/73/82/93/1125738293.db2.gz ZBEQFTJCPWKDJW-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC[NH+](CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)CC(C)C ZINC001566563556 1125738300 /nfs/dbraw/zinc/73/83/00/1125738300.db2.gz ZBEQFTJCPWKDJW-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](F)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001436693697 1088149984 /nfs/dbraw/zinc/14/99/84/1088149984.db2.gz CZDLSTSCRFTDNV-OALUTQOASA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@H](F)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001436693697 1088149990 /nfs/dbraw/zinc/14/99/90/1088149990.db2.gz CZDLSTSCRFTDNV-OALUTQOASA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@H](F)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001436693697 1088150000 /nfs/dbraw/zinc/15/00/00/1088150000.db2.gz CZDLSTSCRFTDNV-OALUTQOASA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@H](F)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001436693697 1088150009 /nfs/dbraw/zinc/15/00/09/1088150009.db2.gz CZDLSTSCRFTDNV-OALUTQOASA-N 2 2 349.494 2.490 10 0 EEAELP Cc1cnc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001436967395 1088659377 /nfs/dbraw/zinc/65/93/77/1088659377.db2.gz PGOPLJDLDJNQSD-CYUUQNCZSA-N 2 2 331.420 2.129 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001437150104 1089148160 /nfs/dbraw/zinc/14/81/60/1089148160.db2.gz LILWIJDVHZEDSD-SUMWQHHRSA-N 2 2 347.463 2.370 10 0 EEAELP Cc1cc(C[N@H+](C)CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)sn1 ZINC001437481011 1089828068 /nfs/dbraw/zinc/82/80/68/1089828068.db2.gz CMHGYOLTQBGOSN-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)sn1 ZINC001437481011 1089828083 /nfs/dbraw/zinc/82/80/83/1089828083.db2.gz CMHGYOLTQBGOSN-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)sn1 ZINC001437481011 1089828098 /nfs/dbraw/zinc/82/80/98/1089828098.db2.gz CMHGYOLTQBGOSN-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)sn1 ZINC001437481011 1089828113 /nfs/dbraw/zinc/82/81/13/1089828113.db2.gz CMHGYOLTQBGOSN-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)s1 ZINC001437530820 1089965009 /nfs/dbraw/zinc/96/50/09/1089965009.db2.gz KUJSKQLMDXLQMC-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)s1 ZINC001437530820 1089965020 /nfs/dbraw/zinc/96/50/20/1089965020.db2.gz KUJSKQLMDXLQMC-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[NH+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)s1 ZINC001437530820 1089965031 /nfs/dbraw/zinc/96/50/31/1089965031.db2.gz KUJSKQLMDXLQMC-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[NH+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)s1 ZINC001437530820 1089965044 /nfs/dbraw/zinc/96/50/44/1089965044.db2.gz KUJSKQLMDXLQMC-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC001437643095 1090163519 /nfs/dbraw/zinc/16/35/19/1090163519.db2.gz OBUWHUARPCNALC-IBGZPJMESA-N 2 2 340.471 2.478 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC001437643095 1090163524 /nfs/dbraw/zinc/16/35/24/1090163524.db2.gz OBUWHUARPCNALC-IBGZPJMESA-N 2 2 340.471 2.478 10 0 EEAELP C[C@@H](CC(=O)NCC[C@@H]1CC[N@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001437932302 1090526265 /nfs/dbraw/zinc/52/62/65/1090526265.db2.gz APVMWBOKLLMKEA-LSDHHAIUSA-N 2 2 347.488 2.319 10 0 EEAELP C[C@@H](CC(=O)NCC[C@@H]1CC[N@@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001437932302 1090526273 /nfs/dbraw/zinc/52/62/73/1090526273.db2.gz APVMWBOKLLMKEA-LSDHHAIUSA-N 2 2 347.488 2.319 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC001438272771 1090758255 /nfs/dbraw/zinc/75/82/55/1090758255.db2.gz KZPZMFLZAJFNSF-KRWDZBQOSA-N 2 2 342.443 2.015 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC001438272771 1090758257 /nfs/dbraw/zinc/75/82/57/1090758257.db2.gz KZPZMFLZAJFNSF-KRWDZBQOSA-N 2 2 342.443 2.015 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(C)c1 ZINC001438340497 1090816870 /nfs/dbraw/zinc/81/68/70/1090816870.db2.gz KQLZXWHBJUXJBT-MSOLQXFVSA-N 2 2 340.471 2.439 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCC(F)(F)F ZINC001438807489 1091417852 /nfs/dbraw/zinc/41/78/52/1091417852.db2.gz QCFDLGIXHKLDPH-TZMCWYRMSA-N 2 2 346.397 2.128 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001439138851 1091781282 /nfs/dbraw/zinc/78/12/82/1091781282.db2.gz QTZZYSFJIUVNOJ-OAHLLOKOSA-N 2 2 326.444 2.445 10 0 EEAELP C[C@H](C[NH2+]Cc1csc(C2CC2)n1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001439155306 1091798490 /nfs/dbraw/zinc/79/84/90/1091798490.db2.gz KLYMYWWOINXFJK-OLZOCXBDSA-N 2 2 347.488 2.463 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001439334374 1092028067 /nfs/dbraw/zinc/02/80/67/1092028067.db2.gz SZZFJXPZVOBBIV-KBRIMQKVSA-N 2 2 342.443 2.159 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001439334374 1092028076 /nfs/dbraw/zinc/02/80/76/1092028076.db2.gz SZZFJXPZVOBBIV-KBRIMQKVSA-N 2 2 342.443 2.159 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001440425324 1093624329 /nfs/dbraw/zinc/62/43/29/1093624329.db2.gz FHRGBQIQDABPPY-OKZBNKHCSA-N 2 2 348.491 2.271 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC[C@@H]1CCCCO1 ZINC001440425324 1093624332 /nfs/dbraw/zinc/62/43/32/1093624332.db2.gz FHRGBQIQDABPPY-OKZBNKHCSA-N 2 2 348.491 2.271 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001440425324 1093624335 /nfs/dbraw/zinc/62/43/35/1093624335.db2.gz FHRGBQIQDABPPY-OKZBNKHCSA-N 2 2 348.491 2.271 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC[C@@H]1CCCCO1 ZINC001440425324 1093624339 /nfs/dbraw/zinc/62/43/39/1093624339.db2.gz FHRGBQIQDABPPY-OKZBNKHCSA-N 2 2 348.491 2.271 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccon2)[C@@H]1CC)[NH+](CC)CC ZINC001440450110 1093663233 /nfs/dbraw/zinc/66/32/33/1093663233.db2.gz MTTHWMMGXDYWJT-GVDBMIGSSA-N 2 2 336.480 2.264 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccon2)[C@@H]1CC)[NH+](CC)CC ZINC001440450110 1093663237 /nfs/dbraw/zinc/66/32/37/1093663237.db2.gz MTTHWMMGXDYWJT-GVDBMIGSSA-N 2 2 336.480 2.264 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001448779251 1093859306 /nfs/dbraw/zinc/85/93/06/1093859306.db2.gz QPHCHCORTCNNTC-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](NC(=O)CCCn2cc[nH+]c2)C(C)(C)C)co1 ZINC001449311779 1094264791 /nfs/dbraw/zinc/26/47/91/1094264791.db2.gz DPFHMBGJHAVMJG-INIZCTEOSA-N 2 2 347.463 2.280 10 0 EEAELP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001441110391 1094422692 /nfs/dbraw/zinc/42/26/92/1094422692.db2.gz OFLCNDDYCHJROM-ZDUSSCGKSA-N 2 2 327.831 2.121 10 0 EEAELP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001441110391 1094422694 /nfs/dbraw/zinc/42/26/94/1094422694.db2.gz OFLCNDDYCHJROM-ZDUSSCGKSA-N 2 2 327.831 2.121 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2)C1 ZINC001441360784 1094879035 /nfs/dbraw/zinc/87/90/35/1094879035.db2.gz RKPSCPQTDVGNPO-JCNLHEQBSA-N 2 2 330.407 2.097 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C/Cl)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001441736855 1095725139 /nfs/dbraw/zinc/72/51/39/1095725139.db2.gz LHRGSPJYXSZOMC-MAQVFJRRSA-N 2 2 336.867 2.215 10 0 EEAELP CCc1onc(C)c1C[NH2+][C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001441859460 1095958156 /nfs/dbraw/zinc/95/81/56/1095958156.db2.gz LBFGKNVGXWDFCR-LBPRGKRZSA-N 2 2 347.463 2.080 10 0 EEAELP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1nc(C)oc1C)CC2)[NH+](C)C ZINC001441862613 1095967200 /nfs/dbraw/zinc/96/72/00/1095967200.db2.gz GVMPDAYXZNZPFO-LNLFQRSKSA-N 2 2 348.491 2.245 10 0 EEAELP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1nc(C)oc1C)CC2)[NH+](C)C ZINC001441862613 1095967209 /nfs/dbraw/zinc/96/72/09/1095967209.db2.gz GVMPDAYXZNZPFO-LNLFQRSKSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]CC=C(Cl)Cl)c[nH+]1 ZINC001441870316 1095982951 /nfs/dbraw/zinc/98/29/51/1095982951.db2.gz SBCLQJUBTKCOHF-SNVBAGLBSA-N 2 2 333.263 2.340 10 0 EEAELP Cc1ccccc1-c1cnc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001442503821 1096851438 /nfs/dbraw/zinc/85/14/38/1096851438.db2.gz PNCMYCOGHOLAKC-UHFFFAOYSA-N 2 2 344.459 2.150 10 0 EEAELP Cc1ccccc1-c1cnc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)o1 ZINC001442503821 1096851447 /nfs/dbraw/zinc/85/14/47/1096851447.db2.gz PNCMYCOGHOLAKC-UHFFFAOYSA-N 2 2 344.459 2.150 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1Cc1cc(F)cc(F)c1 ZINC001442818968 1097206032 /nfs/dbraw/zinc/20/60/32/1097206032.db2.gz CHEQEEPAKYODEP-KRWDZBQOSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(F)c1 ZINC001442818968 1097206036 /nfs/dbraw/zinc/20/60/36/1097206036.db2.gz CHEQEEPAKYODEP-KRWDZBQOSA-N 2 2 337.414 2.141 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[N@H+](Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001442898583 1097299621 /nfs/dbraw/zinc/29/96/21/1097299621.db2.gz RPSBMVYRYYRJIZ-HUUCEWRRSA-N 2 2 345.422 2.007 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001442898583 1097299626 /nfs/dbraw/zinc/29/96/26/1097299626.db2.gz RPSBMVYRYYRJIZ-HUUCEWRRSA-N 2 2 345.422 2.007 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC001479781413 1098969241 /nfs/dbraw/zinc/96/92/41/1098969241.db2.gz WRYPCDNHBYNNQF-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC001479781413 1098969257 /nfs/dbraw/zinc/96/92/57/1098969257.db2.gz WRYPCDNHBYNNQF-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc2cc[nH]c2c1 ZINC001479798988 1099020666 /nfs/dbraw/zinc/02/06/66/1099020666.db2.gz MNIORGDVBMAJLD-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc2cc[nH]c2c1 ZINC001479798988 1099020681 /nfs/dbraw/zinc/02/06/81/1099020681.db2.gz MNIORGDVBMAJLD-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP Cc1ncc(C[NH2+]C2(CNC(=O)Cc3[nH]c[nH+]c3C)CCCC2)s1 ZINC001444538278 1099314351 /nfs/dbraw/zinc/31/43/51/1099314351.db2.gz WIRJZQAQDUFIQM-UHFFFAOYSA-N 2 2 347.488 2.244 10 0 EEAELP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCOC1)c1c[nH+]c[nH]1 ZINC001480364648 1100138527 /nfs/dbraw/zinc/13/85/27/1100138527.db2.gz ACBPPUMSZBIDKY-JKSUJKDBSA-N 2 2 348.491 2.085 10 0 EEAELP COCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001480373729 1100155956 /nfs/dbraw/zinc/15/59/56/1100155956.db2.gz RXYMGJHKIIELMP-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001480373729 1100155957 /nfs/dbraw/zinc/15/59/57/1100155957.db2.gz RXYMGJHKIIELMP-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001480548816 1100385670 /nfs/dbraw/zinc/38/56/70/1100385670.db2.gz OKEGXSJKUKCHLL-HUUCEWRRSA-N 2 2 336.480 2.096 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]C/C=C\Cl)C1CCCCC1 ZINC001496327283 1100922755 /nfs/dbraw/zinc/92/27/55/1100922755.db2.gz RUNTUJMJRROFGS-KQQSKNTNSA-N 2 2 338.883 2.370 10 0 EEAELP C[C@@H](CC(=O)N[C@@](C)(C[NH2+]CC1CCOCC1)C1CC1)n1cc[nH+]c1 ZINC001495279660 1100977226 /nfs/dbraw/zinc/97/72/26/1100977226.db2.gz CHVLPUMVJFJHGW-KXBFYZLASA-N 2 2 348.491 2.135 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC001446543127 1101005370 /nfs/dbraw/zinc/00/53/70/1101005370.db2.gz PUAFTSULWXWREQ-IBGZPJMESA-N 2 2 326.444 2.134 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001446543127 1101005379 /nfs/dbraw/zinc/00/53/79/1101005379.db2.gz PUAFTSULWXWREQ-IBGZPJMESA-N 2 2 326.444 2.134 10 0 EEAELP Cc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)cc1F ZINC001446619302 1101124919 /nfs/dbraw/zinc/12/49/19/1101124919.db2.gz 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XVNKODZCQRHJMS-VQIMIIECSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568645548 1124657106 /nfs/dbraw/zinc/65/71/06/1124657106.db2.gz IFDXCHZFQSUFHZ-GFCCVEGCSA-N 2 2 341.390 2.395 10 0 EEAELP CO[C@@H](C)C[NH2+]CC[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001568662116 1124676037 /nfs/dbraw/zinc/67/60/37/1124676037.db2.gz GYDNIRSBKVQIET-GJZGRUSLSA-N 2 2 330.432 2.005 10 0 EEAELP CCN(CC[NH2+]CC[C@H]1CCOC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568754190 1124769433 /nfs/dbraw/zinc/76/94/33/1124769433.db2.gz NRUVKICGEZAOCT-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP CC(C)C[C@H](C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001568875593 1124902073 /nfs/dbraw/zinc/90/20/73/1124902073.db2.gz LESHZWSJNJMNNV-PPPANMTLSA-N 2 2 332.492 2.390 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC[C@H]1CCCO1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001569308237 1125222457 /nfs/dbraw/zinc/22/24/57/1125222457.db2.gz XSYKXVSAPDGVCN-QAPCUYQASA-N 2 2 342.443 2.230 10 0 EEAELP 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330.350 2.284 10 0 EEAELP COCC(C)(C)[NH+]1CCN(Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000425354715 241136513 /nfs/dbraw/zinc/13/65/13/241136513.db2.gz SJNLTHGFEPWFAX-UHFFFAOYSA-N 2 2 334.489 2.476 10 0 EEAELP O=C(C[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1)N1CCCCC1 ZINC000069569590 203021295 /nfs/dbraw/zinc/02/12/95/203021295.db2.gz FFMJMXZBMSWLGK-UHFFFAOYSA-N 2 2 341.459 2.088 10 0 EEAELP O=C(C[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1)N1CCCCC1 ZINC000069569590 203021299 /nfs/dbraw/zinc/02/12/99/203021299.db2.gz FFMJMXZBMSWLGK-UHFFFAOYSA-N 2 2 341.459 2.088 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000105922654 204179065 /nfs/dbraw/zinc/17/90/65/204179065.db2.gz IYRVRJZLKZXYSJ-OAHLLOKOSA-N 2 2 330.432 2.334 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000105922654 204179071 /nfs/dbraw/zinc/17/90/71/204179071.db2.gz IYRVRJZLKZXYSJ-OAHLLOKOSA-N 2 2 330.432 2.334 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1C1CC1 ZINC000246526078 205209510 /nfs/dbraw/zinc/20/95/10/205209510.db2.gz ADCLAFQXOCGLKE-PMPSAXMXSA-N 2 2 345.491 2.009 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@H+]1C1CC1 ZINC000246526078 205209514 /nfs/dbraw/zinc/20/95/14/205209514.db2.gz ADCLAFQXOCGLKE-PMPSAXMXSA-N 2 2 345.491 2.009 10 0 EEAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133190060 205359948 /nfs/dbraw/zinc/35/99/48/205359948.db2.gz BBMVHONHKVCTNG-GVDBMIGSSA-N 2 2 339.430 2.412 10 0 EEAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133190060 205359952 /nfs/dbraw/zinc/35/99/52/205359952.db2.gz BBMVHONHKVCTNG-GVDBMIGSSA-N 2 2 339.430 2.412 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000112745435 220395552 /nfs/dbraw/zinc/39/55/52/220395552.db2.gz YMLSBGNEKHWDNB-AWEZNQCLSA-N 2 2 333.480 2.096 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000112745435 220395555 /nfs/dbraw/zinc/39/55/55/220395555.db2.gz YMLSBGNEKHWDNB-AWEZNQCLSA-N 2 2 333.480 2.096 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000086171350 292206344 /nfs/dbraw/zinc/20/63/44/292206344.db2.gz XCLPWVUJVSKUNM-GOSISDBHSA-N 2 2 331.460 2.332 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000086171350 292206347 /nfs/dbraw/zinc/20/63/47/292206347.db2.gz XCLPWVUJVSKUNM-GOSISDBHSA-N 2 2 331.460 2.332 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[N@@H+]1C ZINC000123713158 292283316 /nfs/dbraw/zinc/28/33/16/292283316.db2.gz FYKRQURUEOIUMB-ZBFHGGJFSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[N@H+]1C ZINC000123713158 292283317 /nfs/dbraw/zinc/28/33/17/292283317.db2.gz FYKRQURUEOIUMB-ZBFHGGJFSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[NH+]1C ZINC000123713158 292283318 /nfs/dbraw/zinc/28/33/18/292283318.db2.gz FYKRQURUEOIUMB-ZBFHGGJFSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[NH+]1C ZINC000123713158 292283319 /nfs/dbraw/zinc/28/33/19/292283319.db2.gz FYKRQURUEOIUMB-ZBFHGGJFSA-N 2 2 333.480 2.351 10 0 EEAELP COCCN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000248845093 160364159 /nfs/dbraw/zinc/36/41/59/160364159.db2.gz MWWKSVZQVGBKQI-IBGZPJMESA-N 2 2 346.519 2.472 10 0 EEAELP COCCN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000248845093 160364161 /nfs/dbraw/zinc/36/41/61/160364161.db2.gz MWWKSVZQVGBKQI-IBGZPJMESA-N 2 2 346.519 2.472 10 0 EEAELP O[C@@H](COCc1cccs1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249899927 160387152 /nfs/dbraw/zinc/38/71/52/160387152.db2.gz SQSYBONEIXVYKG-JKSUJKDBSA-N 2 2 347.484 2.455 10 0 EEAELP O[C@@H](COCc1cccs1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249899927 160387154 /nfs/dbraw/zinc/38/71/54/160387154.db2.gz SQSYBONEIXVYKG-JKSUJKDBSA-N 2 2 347.484 2.455 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000106122598 159312787 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338.517 2.121 10 0 EEAELP C[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000246473046 160280470 /nfs/dbraw/zinc/28/04/70/160280470.db2.gz GWWOKOAYPPPGDP-FUHWJXTLSA-N 2 2 338.517 2.121 10 0 EEAELP C[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000246473046 160280472 /nfs/dbraw/zinc/28/04/72/160280472.db2.gz GWWOKOAYPPPGDP-FUHWJXTLSA-N 2 2 338.517 2.121 10 0 EEAELP C[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1n1cc[nH+]c1 ZINC000247307164 160319175 /nfs/dbraw/zinc/31/91/75/160319175.db2.gz FPGACRZDDBCMIU-GXTWGEPZSA-N 2 2 329.429 2.036 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1n1cc[nH+]c1 ZINC000247307164 160319177 /nfs/dbraw/zinc/31/91/77/160319177.db2.gz FPGACRZDDBCMIU-GXTWGEPZSA-N 2 2 329.429 2.036 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342607930 161077563 /nfs/dbraw/zinc/07/75/63/161077563.db2.gz RWNKUGWUCQLFQN-WBVHZDCISA-N 2 2 348.491 2.301 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000354876411 163000015 /nfs/dbraw/zinc/00/00/15/163000015.db2.gz DFKBXPQGGJLJQL-HNNXBMFYSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC000354876411 163000019 /nfs/dbraw/zinc/00/00/19/163000019.db2.gz DFKBXPQGGJLJQL-HNNXBMFYSA-N 2 2 330.476 2.240 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC000360336200 164287230 /nfs/dbraw/zinc/28/72/30/164287230.db2.gz JIQXNHOLZJWGNT-WBVHZDCISA-N 2 2 342.491 2.428 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnnn1C(C)(C)C ZINC000360336200 164287231 /nfs/dbraw/zinc/28/72/31/164287231.db2.gz JIQXNHOLZJWGNT-WBVHZDCISA-N 2 2 342.491 2.428 10 0 EEAELP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)C1 ZINC000369359594 166245326 /nfs/dbraw/zinc/24/53/26/166245326.db2.gz RSGRXBTVHOAASC-YJBOKZPZSA-N 2 2 337.895 2.085 10 0 EEAELP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)c3ccccc3Cl)CC2)C1 ZINC000369359594 166245329 /nfs/dbraw/zinc/24/53/29/166245329.db2.gz RSGRXBTVHOAASC-YJBOKZPZSA-N 2 2 337.895 2.085 10 0 EEAELP COCCc1noc(C[N@@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC000369899343 166352987 /nfs/dbraw/zinc/35/29/87/166352987.db2.gz GZWKQFIPVSQPFM-AWEZNQCLSA-N 2 2 331.420 2.038 10 0 EEAELP COCCc1noc(C[N@H+]2CCC[C@H]2CNc2cccc(C)[nH+]2)n1 ZINC000369899343 166352990 /nfs/dbraw/zinc/35/29/90/166352990.db2.gz GZWKQFIPVSQPFM-AWEZNQCLSA-N 2 2 331.420 2.038 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000297320371 294211666 /nfs/dbraw/zinc/21/16/66/294211666.db2.gz IWEOOVNOOMVVFL-KRWDZBQOSA-N 2 2 342.443 2.062 10 0 EEAELP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@H]1[NH+](C)C ZINC000332925344 312069028 /nfs/dbraw/zinc/06/90/28/312069028.db2.gz OJHJVZLCMOEMJL-QLFBSQMISA-N 2 2 347.507 2.087 10 0 EEAELP Cc1ccn2c(C[NH2+][C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)cnc2c1 ZINC000333019306 312079609 /nfs/dbraw/zinc/07/96/09/312079609.db2.gz HZXZAPSWEJXLJE-PBHICJAKSA-N 2 2 325.416 2.386 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339086649 312251437 /nfs/dbraw/zinc/25/14/37/312251437.db2.gz GMGMUOXHGXARLI-XHSDSOJGSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339086649 312251439 /nfs/dbraw/zinc/25/14/39/312251439.db2.gz GMGMUOXHGXARLI-XHSDSOJGSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339086649 312251440 /nfs/dbraw/zinc/25/14/40/312251440.db2.gz GMGMUOXHGXARLI-XHSDSOJGSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339086649 312251442 /nfs/dbraw/zinc/25/14/42/312251442.db2.gz GMGMUOXHGXARLI-XHSDSOJGSA-N 2 2 339.842 2.435 10 0 EEAELP COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414736974 313072379 /nfs/dbraw/zinc/07/23/79/313072379.db2.gz IARAOHJNUPCCMW-TZMCWYRMSA-N 2 2 326.387 2.328 10 0 EEAELP COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414736974 313072383 /nfs/dbraw/zinc/07/23/83/313072383.db2.gz IARAOHJNUPCCMW-TZMCWYRMSA-N 2 2 326.387 2.328 10 0 EEAELP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000417080820 313416092 /nfs/dbraw/zinc/41/60/92/313416092.db2.gz ORCPSOONDFBUPH-CQSZACIVSA-N 2 2 327.432 2.403 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cc(C(=O)OC)sc2C)CC1 ZINC000519600423 316796756 /nfs/dbraw/zinc/79/67/56/316796756.db2.gz GODDXOKCTOEJDE-UHFFFAOYSA-N 2 2 326.462 2.044 10 0 EEAELP C[NH+]1CCC(CNC(=O)N2C3CCC2CC3)([NH+]2CCCCC2)CC1 ZINC000525305607 317055390 /nfs/dbraw/zinc/05/53/90/317055390.db2.gz ZNBRXDHRHDVEBG-UHFFFAOYSA-N 2 2 334.508 2.273 10 0 EEAELP Cc1c[nH+]cn1Cc1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000528121224 317323068 /nfs/dbraw/zinc/32/30/68/317323068.db2.gz ZQSGRMNASXAFRI-INIZCTEOSA-N 2 2 339.399 2.196 10 0 EEAELP Cc1c[nH+]cn1Cc1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000528121224 317323072 /nfs/dbraw/zinc/32/30/72/317323072.db2.gz ZQSGRMNASXAFRI-INIZCTEOSA-N 2 2 339.399 2.196 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(F)cc1 ZINC000538687088 318041019 /nfs/dbraw/zinc/04/10/19/318041019.db2.gz LFJWOONAGFUSMU-SFHVURJKSA-N 2 2 344.434 2.320 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000539749270 318059982 /nfs/dbraw/zinc/05/99/82/318059982.db2.gz CEKOGDUIHDMNHM-UHFFFAOYSA-N 2 2 339.443 2.074 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000544818699 318198055 /nfs/dbraw/zinc/19/80/55/318198055.db2.gz QFHBJVKFFXWBPA-GASCZTMLSA-N 2 2 327.432 2.260 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000544818699 318198057 /nfs/dbraw/zinc/19/80/57/318198057.db2.gz QFHBJVKFFXWBPA-GASCZTMLSA-N 2 2 327.432 2.260 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000564823197 319114063 /nfs/dbraw/zinc/11/40/63/319114063.db2.gz DIEMHOFXELWEGT-DFQSSKMNSA-N 3 2 331.504 2.255 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000564823197 319114064 /nfs/dbraw/zinc/11/40/64/319114064.db2.gz DIEMHOFXELWEGT-DFQSSKMNSA-N 3 2 331.504 2.255 10 0 EEAELP Cc1cccc(C[NH+](CCN2CC[NH2+]CC2)Cc2cccc(C)n2)n1 ZINC000565046979 319143635 /nfs/dbraw/zinc/14/36/35/319143635.db2.gz ZLASDPSRZQVTTH-UHFFFAOYSA-N 2 2 339.487 2.001 10 0 EEAELP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C2)C1 ZINC000565927752 319226600 /nfs/dbraw/zinc/22/66/00/319226600.db2.gz MHLSPMBBJPOOCA-KRWDZBQOSA-N 2 2 347.850 2.225 10 0 EEAELP C[N@H+]1CC[C@]2(CCN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C2)C1 ZINC000565927752 319226602 /nfs/dbraw/zinc/22/66/02/319226602.db2.gz MHLSPMBBJPOOCA-KRWDZBQOSA-N 2 2 347.850 2.225 10 0 EEAELP C[NH2+][C@@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000574668259 320046449 /nfs/dbraw/zinc/04/64/49/320046449.db2.gz LUZQHLVFXPAATI-SJLPKXTDSA-N 2 2 341.459 2.245 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000574766572 320055376 /nfs/dbraw/zinc/05/53/76/320055376.db2.gz NTHDBHBTPLXUHV-GFCCVEGCSA-N 2 2 345.472 2.183 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2nc3c(s2)CCCC3)C1 ZINC000574766572 320055377 /nfs/dbraw/zinc/05/53/77/320055377.db2.gz NTHDBHBTPLXUHV-GFCCVEGCSA-N 2 2 345.472 2.183 10 0 EEAELP CC1(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC[NH2+]CC1 ZINC000576009992 320133590 /nfs/dbraw/zinc/13/35/90/320133590.db2.gz BIOZLURVYGJAFM-UHFFFAOYSA-N 2 2 337.493 2.393 10 0 EEAELP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000577612336 320265653 /nfs/dbraw/zinc/26/56/53/320265653.db2.gz QKENMQLQRUXWRX-MRXNPFEDSA-N 2 2 337.414 2.048 10 0 EEAELP Cc1nc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)nc(N)[nH+]1 ZINC000631065766 451564108 /nfs/dbraw/zinc/56/41/08/451564108.db2.gz WHYZQXFVXUMFKY-UHFFFAOYSA-N 2 2 334.374 2.117 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000073871040 463665023 /nfs/dbraw/zinc/66/50/23/463665023.db2.gz JEJGQJXDOIINDH-QGZVFWFLSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOC(C)(C)C2)CC1 ZINC000073871040 463665026 /nfs/dbraw/zinc/66/50/26/463665026.db2.gz JEJGQJXDOIINDH-QGZVFWFLSA-N 2 2 345.487 2.003 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000296261363 465133594 /nfs/dbraw/zinc/13/35/94/465133594.db2.gz CSVFCMXEAPGALZ-QGZVFWFLSA-N 2 2 341.459 2.367 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000296261363 465133599 /nfs/dbraw/zinc/13/35/99/465133599.db2.gz CSVFCMXEAPGALZ-QGZVFWFLSA-N 2 2 341.459 2.367 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000351509470 465192954 /nfs/dbraw/zinc/19/29/54/465192954.db2.gz AMXMIMLTGHYNFA-IPMKNSEASA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[NH+]3C)CC[N@H+]2C2CC2)c1 ZINC000351509470 465192960 /nfs/dbraw/zinc/19/29/60/465192960.db2.gz AMXMIMLTGHYNFA-IPMKNSEASA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000351509470 465192965 /nfs/dbraw/zinc/19/29/65/465192965.db2.gz AMXMIMLTGHYNFA-IPMKNSEASA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000351509470 465192969 /nfs/dbraw/zinc/19/29/69/465192969.db2.gz AMXMIMLTGHYNFA-IPMKNSEASA-N 2 2 343.471 2.183 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000578864911 468270924 /nfs/dbraw/zinc/27/09/24/468270924.db2.gz YXPXQHJGRRSOHG-DOTOQJQBSA-N 2 2 325.403 2.214 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000578864911 468270928 /nfs/dbraw/zinc/27/09/28/468270928.db2.gz YXPXQHJGRRSOHG-DOTOQJQBSA-N 2 2 325.403 2.214 10 0 EEAELP Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000534798106 468277333 /nfs/dbraw/zinc/27/73/33/468277333.db2.gz DZRVSTJVQRGPNY-GOSISDBHSA-N 2 2 341.455 2.260 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cn1cc[nH+]c1 ZINC000074188577 462566941 /nfs/dbraw/zinc/56/69/41/462566941.db2.gz MKDDCERONGPOOY-UHFFFAOYSA-N 2 2 327.432 2.043 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000088588423 462637982 /nfs/dbraw/zinc/63/79/82/462637982.db2.gz LZHHRKVIYBSBTK-UHFFFAOYSA-N 2 2 347.463 2.406 10 0 EEAELP C[C@@H](C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000119512772 462907251 /nfs/dbraw/zinc/90/72/51/462907251.db2.gz GWWOKOAYPPPGDP-WMZOPIPTSA-N 2 2 338.517 2.121 10 0 EEAELP C[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000119512772 462907254 /nfs/dbraw/zinc/90/72/54/462907254.db2.gz GWWOKOAYPPPGDP-WMZOPIPTSA-N 2 2 338.517 2.121 10 0 EEAELP C[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000119512772 462907255 /nfs/dbraw/zinc/90/72/55/462907255.db2.gz GWWOKOAYPPPGDP-WMZOPIPTSA-N 2 2 338.517 2.121 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[NH+]2CC(C)(C)C2)cc1F ZINC000553051358 468346701 /nfs/dbraw/zinc/34/67/01/468346701.db2.gz OEUNOJSZAQROSI-UHFFFAOYSA-N 2 2 330.407 2.278 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000080704685 463348573 /nfs/dbraw/zinc/34/85/73/463348573.db2.gz WGTGXRJOOJZKJS-QGZVFWFLSA-N 2 2 347.507 2.412 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000080704685 463348575 /nfs/dbraw/zinc/34/85/75/463348575.db2.gz WGTGXRJOOJZKJS-QGZVFWFLSA-N 2 2 347.507 2.412 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123708966 463363066 /nfs/dbraw/zinc/36/30/66/463363066.db2.gz FDFFGXOJBCISLM-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123708966 463363069 /nfs/dbraw/zinc/36/30/69/463363069.db2.gz FDFFGXOJBCISLM-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123708966 463363074 /nfs/dbraw/zinc/36/30/74/463363074.db2.gz FDFFGXOJBCISLM-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123708966 463363078 /nfs/dbraw/zinc/36/30/78/463363078.db2.gz FDFFGXOJBCISLM-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124023098 463386462 /nfs/dbraw/zinc/38/64/62/463386462.db2.gz KUXUJCBOJVBWEY-QZTJIDSGSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124023098 463386465 /nfs/dbraw/zinc/38/64/65/463386465.db2.gz KUXUJCBOJVBWEY-QZTJIDSGSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124023098 463386470 /nfs/dbraw/zinc/38/64/70/463386470.db2.gz KUXUJCBOJVBWEY-QZTJIDSGSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000124023098 463386473 /nfs/dbraw/zinc/38/64/73/463386473.db2.gz KUXUJCBOJVBWEY-QZTJIDSGSA-N 2 2 347.503 2.213 10 0 EEAELP CN(C(=O)Cc1ccon1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124636788 463445968 /nfs/dbraw/zinc/44/59/68/463445968.db2.gz FEZUSUDBSYCAEU-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP CN(C(=O)Cc1ccon1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124636788 463445969 /nfs/dbraw/zinc/44/59/69/463445969.db2.gz FEZUSUDBSYCAEU-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[NH2+]CC2)c(C)c1 ZINC000568608589 468361888 /nfs/dbraw/zinc/36/18/88/468361888.db2.gz MCCHIOVAEMSXIC-GOSISDBHSA-N 2 2 341.459 2.246 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000151321617 463513244 /nfs/dbraw/zinc/51/32/44/463513244.db2.gz ZPJUEVYJTVLTHT-XLIONFOSSA-N 2 2 342.487 2.429 10 0 EEAELP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000072860101 463554870 /nfs/dbraw/zinc/55/48/70/463554870.db2.gz IOWGZGVNWKFTHH-HWWITLHISA-N 2 2 333.520 2.345 10 0 EEAELP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000072860101 463554871 /nfs/dbraw/zinc/55/48/71/463554871.db2.gz IOWGZGVNWKFTHH-HWWITLHISA-N 2 2 333.520 2.345 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000072860101 463554872 /nfs/dbraw/zinc/55/48/72/463554872.db2.gz IOWGZGVNWKFTHH-HWWITLHISA-N 2 2 333.520 2.345 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000072860101 463554874 /nfs/dbraw/zinc/55/48/74/463554874.db2.gz IOWGZGVNWKFTHH-HWWITLHISA-N 2 2 333.520 2.345 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000084632995 463617692 /nfs/dbraw/zinc/61/76/92/463617692.db2.gz HVZHQLPDAVSMGK-ZIAGYGMSSA-N 2 2 330.436 2.155 10 0 EEAELP C[C@@H](C(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000111563144 463679747 /nfs/dbraw/zinc/67/97/47/463679747.db2.gz DCCXUSAALDQNPO-QFBILLFUSA-N 2 2 327.472 2.130 10 0 EEAELP C[C@@H](C(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000111563144 463679749 /nfs/dbraw/zinc/67/97/49/463679749.db2.gz DCCXUSAALDQNPO-QFBILLFUSA-N 2 2 327.472 2.130 10 0 EEAELP C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000111563144 463679752 /nfs/dbraw/zinc/67/97/52/463679752.db2.gz DCCXUSAALDQNPO-QFBILLFUSA-N 2 2 327.472 2.130 10 0 EEAELP C[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000111563144 463679755 /nfs/dbraw/zinc/67/97/55/463679755.db2.gz DCCXUSAALDQNPO-QFBILLFUSA-N 2 2 327.472 2.130 10 0 EEAELP Cc1ccc(C[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)o1 ZINC000178113629 463847158 /nfs/dbraw/zinc/84/71/58/463847158.db2.gz INELDVNISHELFX-GOSISDBHSA-N 2 2 329.444 2.439 10 0 EEAELP Cc1ccc(C[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)o1 ZINC000178113629 463847166 /nfs/dbraw/zinc/84/71/66/463847166.db2.gz INELDVNISHELFX-GOSISDBHSA-N 2 2 329.444 2.439 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc(C)c1 ZINC000178299976 463876932 /nfs/dbraw/zinc/87/69/32/463876932.db2.gz XUEHWPVYUMEWOP-MSOLQXFVSA-N 2 2 329.444 2.404 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1cccc(C)c1 ZINC000178299976 463876938 /nfs/dbraw/zinc/87/69/38/463876938.db2.gz XUEHWPVYUMEWOP-MSOLQXFVSA-N 2 2 329.444 2.404 10 0 EEAELP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261912237 463897576 /nfs/dbraw/zinc/89/75/76/463897576.db2.gz XSKQJZMSZPARSU-UZLBHIALSA-N 2 2 329.488 2.484 10 0 EEAELP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261912237 463897579 /nfs/dbraw/zinc/89/75/79/463897579.db2.gz XSKQJZMSZPARSU-UZLBHIALSA-N 2 2 329.488 2.484 10 0 EEAELP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000171753114 463918519 /nfs/dbraw/zinc/91/85/19/463918519.db2.gz JULAWZQBGYDYDT-GOSISDBHSA-N 2 2 341.459 2.072 10 0 EEAELP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000171753114 463918527 /nfs/dbraw/zinc/91/85/27/463918527.db2.gz JULAWZQBGYDYDT-GOSISDBHSA-N 2 2 341.459 2.072 10 0 EEAELP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262138115 463956245 /nfs/dbraw/zinc/95/62/45/463956245.db2.gz DQHLNWCHKVFXJG-LBPRGKRZSA-N 2 2 335.839 2.061 10 0 EEAELP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281301 464030656 /nfs/dbraw/zinc/03/06/56/464030656.db2.gz IJIUYFGEKCJCPL-FUHWJXTLSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281301 464030658 /nfs/dbraw/zinc/03/06/58/464030658.db2.gz IJIUYFGEKCJCPL-FUHWJXTLSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281301 464030663 /nfs/dbraw/zinc/03/06/63/464030663.db2.gz IJIUYFGEKCJCPL-FUHWJXTLSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281301 464030667 /nfs/dbraw/zinc/03/06/67/464030667.db2.gz IJIUYFGEKCJCPL-FUHWJXTLSA-N 2 2 332.492 2.140 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279103453 464039382 /nfs/dbraw/zinc/03/93/82/464039382.db2.gz AYVSQDOMOIIVPY-YOEHRIQHSA-N 2 2 334.370 2.182 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279103453 464039389 /nfs/dbraw/zinc/03/93/89/464039389.db2.gz AYVSQDOMOIIVPY-YOEHRIQHSA-N 2 2 334.370 2.182 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515701 464063676 /nfs/dbraw/zinc/06/36/76/464063676.db2.gz XZJQTENYFCJDLN-OAHLLOKOSA-N 2 2 340.427 2.463 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515701 464063680 /nfs/dbraw/zinc/06/36/80/464063680.db2.gz XZJQTENYFCJDLN-OAHLLOKOSA-N 2 2 340.427 2.463 10 0 EEAELP O[C@@H](COCc1ccccc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195519383 464068264 /nfs/dbraw/zinc/06/82/64/464068264.db2.gz RIAHFOZCECESIG-RTBURBONSA-N 2 2 341.455 2.393 10 0 EEAELP O[C@@H](COCc1ccccc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195519383 464068270 /nfs/dbraw/zinc/06/82/70/464068270.db2.gz RIAHFOZCECESIG-RTBURBONSA-N 2 2 341.455 2.393 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC(C(C)(C)C)CC2)CC1 ZINC000179318805 464104643 /nfs/dbraw/zinc/10/46/43/464104643.db2.gz GNDFFOKXAXNDHF-UHFFFAOYSA-N 2 2 338.540 2.480 10 0 EEAELP Cc1cccnc1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000173256335 464220996 /nfs/dbraw/zinc/22/09/96/464220996.db2.gz YEPREHSIDSIYIR-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP Cc1ccncc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000280906854 464271582 /nfs/dbraw/zinc/27/15/82/464271582.db2.gz OTIWHBOUTUDAFK-UHFFFAOYSA-N 3 2 325.460 2.087 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2cncc(F)c2)nc[nH+]1 ZINC000180565271 464337014 /nfs/dbraw/zinc/33/70/14/464337014.db2.gz KNQJUQDODLBBET-SWLSCSKDSA-N 2 2 330.411 2.372 10 0 EEAELP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188747534 464359968 /nfs/dbraw/zinc/35/99/68/464359968.db2.gz GHZRWTFJLNYYCF-UHFFFAOYSA-N 2 2 335.367 2.495 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000174173584 464371559 /nfs/dbraw/zinc/37/15/59/464371559.db2.gz JISULDWFAZSGTG-MRXNPFEDSA-N 2 2 335.496 2.460 10 0 EEAELP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174887350 464464789 /nfs/dbraw/zinc/46/47/89/464464789.db2.gz BBLFKYUDGVMNQP-LJQANCHMSA-N 2 2 344.503 2.035 10 0 EEAELP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174887350 464464795 /nfs/dbraw/zinc/46/47/95/464464795.db2.gz BBLFKYUDGVMNQP-LJQANCHMSA-N 2 2 344.503 2.035 10 0 EEAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000246086130 464542114 /nfs/dbraw/zinc/54/21/14/464542114.db2.gz GHBSTSTYCMEKGS-DLBZAZTESA-N 2 2 347.507 2.260 10 0 EEAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@H]1C ZINC000246086130 464542123 /nfs/dbraw/zinc/54/21/23/464542123.db2.gz GHBSTSTYCMEKGS-DLBZAZTESA-N 2 2 347.507 2.260 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000274205749 464738160 /nfs/dbraw/zinc/73/81/60/464738160.db2.gz VLTXZHKSLZQNJV-GOEBONIOSA-N 2 2 349.442 2.177 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000274205749 464738162 /nfs/dbraw/zinc/73/81/62/464738162.db2.gz VLTXZHKSLZQNJV-GOEBONIOSA-N 2 2 349.442 2.177 10 0 EEAELP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248658616 464782508 /nfs/dbraw/zinc/78/25/08/464782508.db2.gz ULKQHXXLKCHKGD-AEFFLSMTSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248658616 464782513 /nfs/dbraw/zinc/78/25/13/464782513.db2.gz ULKQHXXLKCHKGD-AEFFLSMTSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248658616 464782517 /nfs/dbraw/zinc/78/25/17/464782517.db2.gz ULKQHXXLKCHKGD-AEFFLSMTSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248658616 464782520 /nfs/dbraw/zinc/78/25/20/464782520.db2.gz ULKQHXXLKCHKGD-AEFFLSMTSA-N 2 2 332.492 2.092 10 0 EEAELP COCCC[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000183073195 464788498 /nfs/dbraw/zinc/78/84/98/464788498.db2.gz YFOQSYFTULUINR-QGZVFWFLSA-N 2 2 339.524 2.116 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266757947 464811861 /nfs/dbraw/zinc/81/18/61/464811861.db2.gz PJUFAFQXNJKMBA-CYBMUJFWSA-N 2 2 332.473 2.398 10 0 EEAELP C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1)[C@H](C)[NH3+] ZINC000192114331 464867676 /nfs/dbraw/zinc/86/76/76/464867676.db2.gz QYTKOTFYVOQRRA-FRRDWIJNSA-N 2 2 325.403 2.029 10 0 EEAELP C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1)[C@H](C)[NH3+] ZINC000192114331 464867677 /nfs/dbraw/zinc/86/76/77/464867677.db2.gz QYTKOTFYVOQRRA-FRRDWIJNSA-N 2 2 325.403 2.029 10 0 EEAELP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1O ZINC000348308576 465543223 /nfs/dbraw/zinc/54/32/23/465543223.db2.gz DPIQKLPYBPEHEN-OGHNNQOOSA-N 2 2 328.416 2.106 10 0 EEAELP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1O ZINC000348308576 465543225 /nfs/dbraw/zinc/54/32/25/465543225.db2.gz DPIQKLPYBPEHEN-OGHNNQOOSA-N 2 2 328.416 2.106 10 0 EEAELP CCn1ncnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000366287664 465633931 /nfs/dbraw/zinc/63/39/31/465633931.db2.gz UEMVWHAWOZLIPV-RCCFBDPRSA-N 2 2 325.460 2.298 10 0 EEAELP CCn1ncnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000366287664 465633936 /nfs/dbraw/zinc/63/39/36/465633936.db2.gz UEMVWHAWOZLIPV-RCCFBDPRSA-N 2 2 325.460 2.298 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)Cn1cccn1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344661511 465760134 /nfs/dbraw/zinc/76/01/34/465760134.db2.gz JNXSRYFVGBFOQA-UONOGXRCSA-N 2 2 338.415 2.279 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000353428205 465874771 /nfs/dbraw/zinc/87/47/71/465874771.db2.gz DFCANUBMBALXLD-SOLBZPMBSA-N 2 2 337.508 2.009 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000353428205 465874780 /nfs/dbraw/zinc/87/47/80/465874780.db2.gz DFCANUBMBALXLD-SOLBZPMBSA-N 2 2 337.508 2.009 10 0 EEAELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000353428205 465874785 /nfs/dbraw/zinc/87/47/85/465874785.db2.gz DFCANUBMBALXLD-SOLBZPMBSA-N 2 2 337.508 2.009 10 0 EEAELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000353428205 465874792 /nfs/dbraw/zinc/87/47/92/465874792.db2.gz DFCANUBMBALXLD-SOLBZPMBSA-N 2 2 337.508 2.009 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCOCC1 ZINC000361336646 465917250 /nfs/dbraw/zinc/91/72/50/465917250.db2.gz RCGIVRRYINFZSK-AZUAARDMSA-N 2 2 331.504 2.209 10 0 EEAELP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[N@H+]1CCCOCC1 ZINC000361336646 465917270 /nfs/dbraw/zinc/91/72/70/465917270.db2.gz RCGIVRRYINFZSK-AZUAARDMSA-N 2 2 331.504 2.209 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000361348609 465928334 /nfs/dbraw/zinc/92/83/34/465928334.db2.gz LZGPGFWIGYELLH-KRWDZBQOSA-N 2 2 346.500 2.418 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000361348609 465928341 /nfs/dbraw/zinc/92/83/41/465928341.db2.gz LZGPGFWIGYELLH-KRWDZBQOSA-N 2 2 346.500 2.418 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000361518635 466066481 /nfs/dbraw/zinc/06/64/81/466066481.db2.gz KKJMMCNTYHGNSF-HNNXBMFYSA-N 2 2 346.475 2.050 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)OCO2 ZINC000340420115 466080495 /nfs/dbraw/zinc/08/04/95/466080495.db2.gz ZVQUFRIDVNUKGZ-HZPDHXFCSA-N 2 2 348.443 2.157 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)OCO2 ZINC000340420115 466080502 /nfs/dbraw/zinc/08/05/02/466080502.db2.gz ZVQUFRIDVNUKGZ-HZPDHXFCSA-N 2 2 348.443 2.157 10 0 EEAELP COc1c(O)cccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349361510 466083022 /nfs/dbraw/zinc/08/30/22/466083022.db2.gz BLCVVKPSVHKSAG-JWTNVVGKSA-N 2 2 345.487 2.144 10 0 EEAELP COc1c(O)cccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000349361510 466083025 /nfs/dbraw/zinc/08/30/25/466083025.db2.gz BLCVVKPSVHKSAG-JWTNVVGKSA-N 2 2 345.487 2.144 10 0 EEAELP COc1c(O)cccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349361510 466083034 /nfs/dbraw/zinc/08/30/34/466083034.db2.gz BLCVVKPSVHKSAG-JWTNVVGKSA-N 2 2 345.487 2.144 10 0 EEAELP COc1c(O)cccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000349361510 466083040 /nfs/dbraw/zinc/08/30/40/466083040.db2.gz BLCVVKPSVHKSAG-JWTNVVGKSA-N 2 2 345.487 2.144 10 0 EEAELP C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000367144755 466156503 /nfs/dbraw/zinc/15/65/03/466156503.db2.gz GMUZSFHWERNCEI-OAHLLOKOSA-N 2 2 345.491 2.203 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361639981 466171046 /nfs/dbraw/zinc/17/10/46/466171046.db2.gz RHTYLQSBAIMSCS-JXFKEZNVSA-N 2 2 347.478 2.342 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361639981 466171051 /nfs/dbraw/zinc/17/10/51/466171051.db2.gz RHTYLQSBAIMSCS-JXFKEZNVSA-N 2 2 347.478 2.342 10 0 EEAELP C[NH+](C)CC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000363011083 466175528 /nfs/dbraw/zinc/17/55/28/466175528.db2.gz ZWVIWJJGBKAARJ-UHFFFAOYSA-N 2 2 345.491 2.034 10 0 EEAELP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[NH+]2CCC1CC2 ZINC000367411202 466318964 /nfs/dbraw/zinc/31/89/64/466318964.db2.gz XEYBFOBEBSGHHF-UHFFFAOYSA-N 2 2 343.475 2.062 10 0 EEAELP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH+]3CCOCC4(CC4)C3)C2)cc1 ZINC000367463644 466355733 /nfs/dbraw/zinc/35/57/33/466355733.db2.gz NDEJJQNEMQGRPG-LJQANCHMSA-N 2 2 330.472 2.390 10 0 EEAELP c1ccc(C[N@H+]2CCCO[C@@H](C[NH+]3CCOCC4(CC4)C3)C2)cc1 ZINC000367463644 466355739 /nfs/dbraw/zinc/35/57/39/466355739.db2.gz NDEJJQNEMQGRPG-LJQANCHMSA-N 2 2 330.472 2.390 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@@H+]3CCOCC4(CC4)C3)C2)cc1 ZINC000367463644 466355747 /nfs/dbraw/zinc/35/57/47/466355747.db2.gz NDEJJQNEMQGRPG-LJQANCHMSA-N 2 2 330.472 2.390 10 0 EEAELP c1ccc(C[NH+]2CCCO[C@@H](C[N@H+]3CCOCC4(CC4)C3)C2)cc1 ZINC000367463644 466355753 /nfs/dbraw/zinc/35/57/53/466355753.db2.gz NDEJJQNEMQGRPG-LJQANCHMSA-N 2 2 330.472 2.390 10 0 EEAELP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368102763 466577924 /nfs/dbraw/zinc/57/79/24/466577924.db2.gz PQBJQOYFLOECKP-KGLIPLIRSA-N 2 2 333.457 2.027 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423017405 466689502 /nfs/dbraw/zinc/68/95/02/466689502.db2.gz WHKRSSOJKLPKBO-NKGKWGDASA-N 2 2 337.895 2.442 10 0 EEAELP CC[C@H](CC(F)F)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967985 471238803 /nfs/dbraw/zinc/23/88/03/471238803.db2.gz LMQCFXRFIDCQRM-HIFRSBDPSA-N 2 2 331.451 2.295 10 0 EEAELP CC[C@H](CC(F)F)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967985 471238806 /nfs/dbraw/zinc/23/88/06/471238806.db2.gz LMQCFXRFIDCQRM-HIFRSBDPSA-N 2 2 331.451 2.295 10 0 EEAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488009 466757220 /nfs/dbraw/zinc/75/72/20/466757220.db2.gz DBJUHJQSJGJUAE-YRPNKDGESA-N 3 2 329.488 2.150 10 0 EEAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488009 466757223 /nfs/dbraw/zinc/75/72/23/466757223.db2.gz DBJUHJQSJGJUAE-YRPNKDGESA-N 3 2 329.488 2.150 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000369945719 466762611 /nfs/dbraw/zinc/76/26/11/466762611.db2.gz ZQPODHCTPHTFJM-SJLPKXTDSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000369945719 466762613 /nfs/dbraw/zinc/76/26/13/466762613.db2.gz ZQPODHCTPHTFJM-SJLPKXTDSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000369945719 466762614 /nfs/dbraw/zinc/76/26/14/466762614.db2.gz ZQPODHCTPHTFJM-SJLPKXTDSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000369945719 466762616 /nfs/dbraw/zinc/76/26/16/466762616.db2.gz ZQPODHCTPHTFJM-SJLPKXTDSA-N 2 2 330.476 2.037 10 0 EEAELP CCC[N@H+](Cc1ncnn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365887251 466978305 /nfs/dbraw/zinc/97/83/05/466978305.db2.gz VNNLWTCLMRWMRO-UHFFFAOYSA-N 2 2 343.479 2.103 10 0 EEAELP CCC[N@@H+](Cc1ncnn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000365887251 466978310 /nfs/dbraw/zinc/97/83/10/466978310.db2.gz VNNLWTCLMRWMRO-UHFFFAOYSA-N 2 2 343.479 2.103 10 0 EEAELP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418311560 467091391 /nfs/dbraw/zinc/09/13/91/467091391.db2.gz MHGGBLHQSZCYCB-INIZCTEOSA-N 2 2 340.418 2.092 10 0 EEAELP COc1cc2c(cc1OC)CC[NH+](Cc1c[nH+]c(N(C)C)n1C)CC2 ZINC000425326806 467091993 /nfs/dbraw/zinc/09/19/93/467091993.db2.gz OIVSZKZATCJRET-UHFFFAOYSA-N 2 2 344.459 2.104 10 0 EEAELP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418721115 467149816 /nfs/dbraw/zinc/14/98/16/467149816.db2.gz KJRHEQJGPNWAPU-STQMWFEESA-N 2 2 329.448 2.427 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000429015939 467292136 /nfs/dbraw/zinc/29/21/36/467292136.db2.gz AZZOZWJINNWOSE-HXUWFJFHSA-N 2 2 345.487 2.118 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000429015939 467292138 /nfs/dbraw/zinc/29/21/38/467292138.db2.gz AZZOZWJINNWOSE-HXUWFJFHSA-N 2 2 345.487 2.118 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000429015939 467292141 /nfs/dbraw/zinc/29/21/41/467292141.db2.gz AZZOZWJINNWOSE-HXUWFJFHSA-N 2 2 345.487 2.118 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000429015939 467292143 /nfs/dbraw/zinc/29/21/43/467292143.db2.gz AZZOZWJINNWOSE-HXUWFJFHSA-N 2 2 345.487 2.118 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000391955186 467424075 /nfs/dbraw/zinc/42/40/75/467424075.db2.gz VXUUUMRVMBZXKE-WMZOPIPTSA-N 2 2 333.451 2.248 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000391955186 467424078 /nfs/dbraw/zinc/42/40/78/467424078.db2.gz VXUUUMRVMBZXKE-WMZOPIPTSA-N 2 2 333.451 2.248 10 0 EEAELP COCCN1CC[C@@H]([NH2+]C[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397928918 467444864 /nfs/dbraw/zinc/44/48/64/467444864.db2.gz CQDZKNYDYSBNOL-UXHICEINSA-N 2 2 331.504 2.351 10 0 EEAELP COCCN1CC[C@@H]([NH2+]C[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397928918 467444866 /nfs/dbraw/zinc/44/48/66/467444866.db2.gz CQDZKNYDYSBNOL-UXHICEINSA-N 2 2 331.504 2.351 10 0 EEAELP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414930859 467452718 /nfs/dbraw/zinc/45/27/18/467452718.db2.gz BEKTWNKVKWZLOJ-FZMZJTMJSA-N 2 2 330.881 2.221 10 0 EEAELP Cc1cc(Br)cn2c(CN[C@H]3C[NH2+]CC[C@H]3C)c[nH+]c12 ZINC000414933547 467454005 /nfs/dbraw/zinc/45/40/05/467454005.db2.gz RZOWQHWJHPWGCT-YGRLFVJLSA-N 2 2 337.265 2.493 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(C(=O)OC)cc1 ZINC000453252123 467470966 /nfs/dbraw/zinc/47/09/66/467470966.db2.gz BRAVCBVSNMSLHI-ZWKOTPCHSA-N 2 2 334.460 2.361 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(C(=O)OC)cc1 ZINC000453252123 467470970 /nfs/dbraw/zinc/47/09/70/467470970.db2.gz BRAVCBVSNMSLHI-ZWKOTPCHSA-N 2 2 334.460 2.361 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccc(OC)c(Br)c2)C[C@H]1C[NH3+] ZINC000405465659 467481643 /nfs/dbraw/zinc/48/16/43/467481643.db2.gz SSKIFUVPDNKFLZ-IUODEOHRSA-N 2 2 343.265 2.253 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccc(OC)c(Br)c2)C[C@H]1C[NH3+] ZINC000405465659 467481646 /nfs/dbraw/zinc/48/16/46/467481646.db2.gz SSKIFUVPDNKFLZ-IUODEOHRSA-N 2 2 343.265 2.253 10 0 EEAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449395068 467637324 /nfs/dbraw/zinc/63/73/24/467637324.db2.gz PHNAHZOQAFJOKP-WMZOPIPTSA-N 2 2 347.503 2.403 10 0 EEAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449395068 467637328 /nfs/dbraw/zinc/63/73/28/467637328.db2.gz PHNAHZOQAFJOKP-WMZOPIPTSA-N 2 2 347.503 2.403 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528560242 467703973 /nfs/dbraw/zinc/70/39/73/467703973.db2.gz IDHZKZTXTWTWGB-INIZCTEOSA-N 2 2 339.524 2.065 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(C)(C)OC1(C)C ZINC000528560242 467703977 /nfs/dbraw/zinc/70/39/77/467703977.db2.gz IDHZKZTXTWTWGB-INIZCTEOSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@@H](C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC000457008403 467730344 /nfs/dbraw/zinc/73/03/44/467730344.db2.gz CKFGTNFEGWSPLW-QYZOEREBSA-N 2 2 345.487 2.049 10 0 EEAELP CC[C@@H](C(=O)N1CC[NH2+][C@H](c2ccccc2)C1)[N@H+]1CCO[C@H](CC)C1 ZINC000457008403 467730349 /nfs/dbraw/zinc/73/03/49/467730349.db2.gz CKFGTNFEGWSPLW-QYZOEREBSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@@H]1C[C@@H](C)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466150223 467971479 /nfs/dbraw/zinc/97/14/79/467971479.db2.gz WHWNPAGWMOGRLJ-IAGOWNOFSA-N 2 2 336.524 2.377 10 0 EEAELP Cc1c(C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cnn1C ZINC000515298374 467983624 /nfs/dbraw/zinc/98/36/24/467983624.db2.gz UVXZZEJWQUTFFZ-UHFFFAOYSA-N 2 2 328.460 2.193 10 0 EEAELP Cc1c(C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)cnn1C ZINC000515298374 467983625 /nfs/dbraw/zinc/98/36/25/467983625.db2.gz UVXZZEJWQUTFFZ-UHFFFAOYSA-N 2 2 328.460 2.193 10 0 EEAELP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532448604 468119713 /nfs/dbraw/zinc/11/97/13/468119713.db2.gz MTWUVNBPPHBGQL-LJQANCHMSA-N 2 2 339.487 2.208 10 0 EEAELP CC[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000519417553 468160777 /nfs/dbraw/zinc/16/07/77/468160777.db2.gz AQQVKGSVPBHSQZ-HNNXBMFYSA-N 2 2 325.403 2.094 10 0 EEAELP CC[C@H]1CN(C(=O)CC(F)(F)C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000519417553 468160781 /nfs/dbraw/zinc/16/07/81/468160781.db2.gz AQQVKGSVPBHSQZ-HNNXBMFYSA-N 2 2 325.403 2.094 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000569985790 468573842 /nfs/dbraw/zinc/57/38/42/468573842.db2.gz SLJJMHIQCVIMPP-UKRRQHHQSA-N 2 2 330.407 2.226 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000569985790 468573846 /nfs/dbraw/zinc/57/38/46/468573846.db2.gz SLJJMHIQCVIMPP-UKRRQHHQSA-N 2 2 330.407 2.226 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000570251318 468610599 /nfs/dbraw/zinc/61/05/99/468610599.db2.gz NXIVLKSADGYSDM-VPWXQRGCSA-N 2 2 340.471 2.319 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000570251318 468610604 /nfs/dbraw/zinc/61/06/04/468610604.db2.gz NXIVLKSADGYSDM-VPWXQRGCSA-N 2 2 340.471 2.319 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000570513024 468649707 /nfs/dbraw/zinc/64/97/07/468649707.db2.gz WGIKNBKPJMOQSW-GREKMHCPSA-N 2 2 340.418 2.135 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000570513024 468649712 /nfs/dbraw/zinc/64/97/12/468649712.db2.gz WGIKNBKPJMOQSW-GREKMHCPSA-N 2 2 340.418 2.135 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1F ZINC000583283834 468672772 /nfs/dbraw/zinc/67/27/72/468672772.db2.gz FAAYXMRSQLCBTG-CZUORRHYSA-N 2 2 330.407 2.401 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558651072 468698678 /nfs/dbraw/zinc/69/86/78/468698678.db2.gz MVTOXADHEULLBB-HZPDHXFCSA-N 2 2 345.491 2.203 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@@H]1CCCc2ccccc21 ZINC000584351472 468852909 /nfs/dbraw/zinc/85/29/09/468852909.db2.gz KMOPULHSVTVPOQ-UYAOXDASSA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@@H]1CCCc2ccccc21 ZINC000584351472 468852914 /nfs/dbraw/zinc/85/29/14/468852914.db2.gz KMOPULHSVTVPOQ-UYAOXDASSA-N 2 2 327.472 2.256 10 0 EEAELP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000572959728 469030398 /nfs/dbraw/zinc/03/03/98/469030398.db2.gz VUJAVXUZIMPABT-AWEZNQCLSA-N 2 2 335.839 2.223 10 0 EEAELP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000572959728 469030403 /nfs/dbraw/zinc/03/04/03/469030403.db2.gz VUJAVXUZIMPABT-AWEZNQCLSA-N 2 2 335.839 2.223 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573207424 469083770 /nfs/dbraw/zinc/08/37/70/469083770.db2.gz VFCMEWLFXWTJBE-UZLBHIALSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573207424 469083771 /nfs/dbraw/zinc/08/37/71/469083771.db2.gz VFCMEWLFXWTJBE-UZLBHIALSA-N 2 2 327.472 2.430 10 0 EEAELP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000615650160 469292023 /nfs/dbraw/zinc/29/20/23/469292023.db2.gz FWGXFMCNMBACGP-QGTPRVQTSA-N 2 2 340.427 2.349 10 0 EEAELP COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000615650160 469292028 /nfs/dbraw/zinc/29/20/28/469292028.db2.gz FWGXFMCNMBACGP-QGTPRVQTSA-N 2 2 340.427 2.349 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046716 469479985 /nfs/dbraw/zinc/47/99/85/469479985.db2.gz PBXSZUGZWNITKB-HEHGZKQESA-N 2 2 328.416 2.106 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046716 469479988 /nfs/dbraw/zinc/47/99/88/469479988.db2.gz PBXSZUGZWNITKB-HEHGZKQESA-N 2 2 328.416 2.106 10 0 EEAELP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087553 469498168 /nfs/dbraw/zinc/49/81/68/469498168.db2.gz RYIOXVMZFQSWFN-DLBZAZTESA-N 2 2 339.524 2.257 10 0 EEAELP Cn1cc(-c2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)on2)cn1 ZINC000629565146 469580826 /nfs/dbraw/zinc/58/08/26/469580826.db2.gz VLORGMDQUUSWKW-MFKMUULPSA-N 2 2 343.353 2.034 10 0 EEAELP Cn1cc(-c2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)on2)cn1 ZINC000629565146 469580828 /nfs/dbraw/zinc/58/08/28/469580828.db2.gz VLORGMDQUUSWKW-MFKMUULPSA-N 2 2 343.353 2.034 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000623364846 469636587 /nfs/dbraw/zinc/63/65/87/469636587.db2.gz WNWBOJMYHGCWKB-KRWDZBQOSA-N 2 2 338.517 2.454 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000623364846 469636589 /nfs/dbraw/zinc/63/65/89/469636589.db2.gz WNWBOJMYHGCWKB-KRWDZBQOSA-N 2 2 338.517 2.454 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623386858 469640405 /nfs/dbraw/zinc/64/04/05/469640405.db2.gz GUTVESBHHAXJFD-GOSISDBHSA-N 4 2 345.535 2.056 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623386858 469640407 /nfs/dbraw/zinc/64/04/07/469640407.db2.gz GUTVESBHHAXJFD-GOSISDBHSA-N 4 2 345.535 2.056 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)CC2 ZINC000623460604 469662392 /nfs/dbraw/zinc/66/23/92/469662392.db2.gz LPVGWSNDDGWOMC-JKSUJKDBSA-N 2 2 342.443 2.300 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCC[C@H]3CC=CCC3)C2)CC1 ZINC000623638470 469719515 /nfs/dbraw/zinc/71/95/15/469719515.db2.gz GUCDXGYIEBGUEE-DLBZAZTESA-N 2 2 334.508 2.201 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCC[C@H]3CC=CCC3)C2)CC1 ZINC000623638470 469719520 /nfs/dbraw/zinc/71/95/20/469719520.db2.gz GUCDXGYIEBGUEE-DLBZAZTESA-N 2 2 334.508 2.201 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(OC2CCCC2)nc1 ZINC000617765273 469795734 /nfs/dbraw/zinc/79/57/34/469795734.db2.gz ZFVYZJLPNXJJRP-UHFFFAOYSA-N 2 2 348.491 2.016 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(OC2CCCC2)nc1 ZINC000617765273 469795737 /nfs/dbraw/zinc/79/57/37/469795737.db2.gz ZFVYZJLPNXJJRP-UHFFFAOYSA-N 2 2 348.491 2.016 10 0 EEAELP Cc1ccc(-c2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)on2)cc1 ZINC000617768320 469799245 /nfs/dbraw/zinc/79/92/45/469799245.db2.gz YTUOXZDNNJSZFH-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP Cc1ccc(-c2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)on2)cc1 ZINC000617768320 469799248 /nfs/dbraw/zinc/79/92/48/469799248.db2.gz YTUOXZDNNJSZFH-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000624005994 469816437 /nfs/dbraw/zinc/81/64/37/469816437.db2.gz ILNAHOVFMJNTMK-HNNXBMFYSA-N 2 2 342.443 2.463 10 0 EEAELP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614098190 469852589 /nfs/dbraw/zinc/85/25/89/469852589.db2.gz QLKRHXIOUIWRBF-MSOLQXFVSA-N 2 2 342.418 2.190 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000624171894 469863767 /nfs/dbraw/zinc/86/37/67/469863767.db2.gz DUASALCZTWATFZ-BFYDXBDKSA-N 2 2 332.492 2.238 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC000624427964 469936262 /nfs/dbraw/zinc/93/62/62/469936262.db2.gz ROAJKVBXRSOJRI-NVXWUHKLSA-N 2 2 344.434 2.312 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1OC1CC1 ZINC000628184017 470072071 /nfs/dbraw/zinc/07/20/71/470072071.db2.gz XBIMKXRHCBSHEO-QGZVFWFLSA-N 2 2 346.471 2.391 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)cc1OC1CC1 ZINC000628184017 470072073 /nfs/dbraw/zinc/07/20/73/470072073.db2.gz XBIMKXRHCBSHEO-QGZVFWFLSA-N 2 2 346.471 2.391 10 0 EEAELP CCc1ncc(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)o1 ZINC000631153284 470080830 /nfs/dbraw/zinc/08/08/30/470080830.db2.gz SPXQITAVGLWPIB-UHFFFAOYSA-N 2 2 345.443 2.238 10 0 EEAELP COC1CC[NH+](C2(CNC(=O)C(C)(C)c3c[nH]c[nH+]3)CCCC2)CC1 ZINC000621860880 470116792 /nfs/dbraw/zinc/11/67/92/470116792.db2.gz JPRYERXSTKRTGT-UHFFFAOYSA-N 2 2 348.491 2.227 10 0 EEAELP COC1CC[NH+](C2(CNC(=O)C(C)(C)c3c[nH+]c[nH]3)CCCC2)CC1 ZINC000621860880 470116793 /nfs/dbraw/zinc/11/67/93/470116793.db2.gz JPRYERXSTKRTGT-UHFFFAOYSA-N 2 2 348.491 2.227 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631700716 470178786 /nfs/dbraw/zinc/17/87/86/470178786.db2.gz JSBRBUFPOSSMEW-XLIONFOSSA-N 2 2 343.515 2.480 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631700716 470178787 /nfs/dbraw/zinc/17/87/87/470178787.db2.gz JSBRBUFPOSSMEW-XLIONFOSSA-N 2 2 343.515 2.480 10 0 EEAELP COc1ccc(CN(C(=O)C[N@@H+]2CCCCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000631832221 470186319 /nfs/dbraw/zinc/18/63/19/470186319.db2.gz BOVADIPNACBKFM-QGZVFWFLSA-N 2 2 345.487 2.390 10 0 EEAELP COc1ccc(CN(C(=O)C[N@H+]2CCCCC[C@@H]([NH3+])C2)C2CC2)cc1 ZINC000631832221 470186320 /nfs/dbraw/zinc/18/63/20/470186320.db2.gz BOVADIPNACBKFM-QGZVFWFLSA-N 2 2 345.487 2.390 10 0 EEAELP COc1ccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631885468 470189217 /nfs/dbraw/zinc/18/92/17/470189217.db2.gz AUIQQVHSSAGJON-HOCLYGCPSA-N 2 2 328.416 2.319 10 0 EEAELP COc1ccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000631885468 470189218 /nfs/dbraw/zinc/18/92/18/470189218.db2.gz AUIQQVHSSAGJON-HOCLYGCPSA-N 2 2 328.416 2.319 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000634576586 470267910 /nfs/dbraw/zinc/26/79/10/470267910.db2.gz VIEBDZBQTYERKM-GJYPPUQNSA-N 2 2 345.487 2.095 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634700298 470281091 /nfs/dbraw/zinc/28/10/91/470281091.db2.gz WWZUTEHOKVUNNG-LPHOPBHVSA-N 2 2 331.460 2.236 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634712145 470284139 /nfs/dbraw/zinc/28/41/39/470284139.db2.gz ZQPBNVROJNNJKY-GEALJGNFSA-N 2 2 332.488 2.009 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634712145 470284141 /nfs/dbraw/zinc/28/41/41/470284141.db2.gz ZQPBNVROJNNJKY-GEALJGNFSA-N 2 2 332.488 2.009 10 0 EEAELP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000633142632 470362344 /nfs/dbraw/zinc/36/23/44/470362344.db2.gz HUVVULFONCUQNO-GOEBONIOSA-N 2 2 349.385 2.275 10 0 EEAELP CN(Cc1[nH]cc[nH+]1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000633142632 470362349 /nfs/dbraw/zinc/36/23/49/470362349.db2.gz HUVVULFONCUQNO-GOEBONIOSA-N 2 2 349.385 2.275 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000648845912 470368750 /nfs/dbraw/zinc/36/87/50/470368750.db2.gz WPKWGSKNMXECBI-ZPUIDXCVSA-N 2 2 337.414 2.166 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000648845912 470368753 /nfs/dbraw/zinc/36/87/53/470368753.db2.gz WPKWGSKNMXECBI-ZPUIDXCVSA-N 2 2 337.414 2.166 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH+]1C ZINC000648845912 470368758 /nfs/dbraw/zinc/36/87/58/470368758.db2.gz WPKWGSKNMXECBI-ZPUIDXCVSA-N 2 2 337.414 2.166 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC[NH+]1C ZINC000648845912 470368762 /nfs/dbraw/zinc/36/87/62/470368762.db2.gz WPKWGSKNMXECBI-ZPUIDXCVSA-N 2 2 337.414 2.166 10 0 EEAELP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2c(c1)COCC2 ZINC000639625110 470584274 /nfs/dbraw/zinc/58/42/74/470584274.db2.gz OHTQDKPOKOGMQL-LJQANCHMSA-N 2 2 330.472 2.446 10 0 EEAELP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c2c(c1)COCC2 ZINC000639625110 470584276 /nfs/dbraw/zinc/58/42/76/470584276.db2.gz OHTQDKPOKOGMQL-LJQANCHMSA-N 2 2 330.472 2.446 10 0 EEAELP COc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1OCC[NH+](C)C ZINC000636033244 470854501 /nfs/dbraw/zinc/85/45/01/470854501.db2.gz FCUQFTHRJZZJHD-ZIAGYGMSSA-N 2 2 344.415 2.101 10 0 EEAELP COc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1OCC[NH+](C)C ZINC000636033244 470854502 /nfs/dbraw/zinc/85/45/02/470854502.db2.gz FCUQFTHRJZZJHD-ZIAGYGMSSA-N 2 2 344.415 2.101 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647246790 470866107 /nfs/dbraw/zinc/86/61/07/470866107.db2.gz QLFFVYTVRRINTK-KPFFTGBYSA-N 2 2 332.488 2.274 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647246790 470866112 /nfs/dbraw/zinc/86/61/12/470866112.db2.gz QLFFVYTVRRINTK-KPFFTGBYSA-N 2 2 332.488 2.274 10 0 EEAELP COc1cc(Br)ccc1C[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000644625733 470999745 /nfs/dbraw/zinc/99/97/45/470999745.db2.gz NVWLLVHDJFLQFV-AWEZNQCLSA-N 2 2 343.265 2.002 10 0 EEAELP COc1cc(Br)ccc1C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000644625733 470999748 /nfs/dbraw/zinc/99/97/48/470999748.db2.gz NVWLLVHDJFLQFV-AWEZNQCLSA-N 2 2 343.265 2.002 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901857 471012355 /nfs/dbraw/zinc/01/23/55/471012355.db2.gz WQDAJWWRPXMAPG-OALUTQOASA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901857 471012359 /nfs/dbraw/zinc/01/23/59/471012359.db2.gz WQDAJWWRPXMAPG-OALUTQOASA-N 2 2 329.488 2.118 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000647903290 471013533 /nfs/dbraw/zinc/01/35/33/471013533.db2.gz IVRPSGZVMSOFNF-BQFCYCMXSA-N 2 2 343.471 2.265 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000647903290 471013536 /nfs/dbraw/zinc/01/35/36/471013536.db2.gz IVRPSGZVMSOFNF-BQFCYCMXSA-N 2 2 343.471 2.265 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccnn2CC(C)C)CC1 ZINC000648030015 471058174 /nfs/dbraw/zinc/05/81/74/471058174.db2.gz GHDMADXXUFBTJD-UHFFFAOYSA-N 2 2 329.448 2.265 10 0 EEAELP C[C@@H](c1cccnc1)[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645169933 471161660 /nfs/dbraw/zinc/16/16/60/471161660.db2.gz CIEAKBPRKVLFTI-AWEZNQCLSA-N 2 2 338.459 2.216 10 0 EEAELP COC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C1CCOCC1 ZINC000657565898 471171322 /nfs/dbraw/zinc/17/13/22/471171322.db2.gz WDNNUJWFPUCYIG-HNNXBMFYSA-N 2 2 338.414 2.434 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cn(CC)nn2)CC1 ZINC000657623869 471189493 /nfs/dbraw/zinc/18/94/93/471189493.db2.gz IAKZBAOXTIUZHS-UHFFFAOYSA-N 2 2 342.491 2.120 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)nn1 ZINC000657771816 471231968 /nfs/dbraw/zinc/23/19/68/471231968.db2.gz GQLVRNXJYNRMMY-QGZVFWFLSA-N 2 2 325.460 2.207 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)nn1 ZINC000657771816 471231972 /nfs/dbraw/zinc/23/19/72/471231972.db2.gz GQLVRNXJYNRMMY-QGZVFWFLSA-N 2 2 325.460 2.207 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000652282657 471266336 /nfs/dbraw/zinc/26/63/36/471266336.db2.gz KSRZVXKRUCFYKA-UHFFFAOYSA-N 2 2 342.443 2.026 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000652285376 471266759 /nfs/dbraw/zinc/26/67/59/471266759.db2.gz XZDKHKPQJOCMMS-UHFFFAOYSA-N 2 2 327.432 2.149 10 0 EEAELP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000663343758 471333976 /nfs/dbraw/zinc/33/39/76/471333976.db2.gz DSDOIBMPPPLNNV-KRWDZBQOSA-N 3 2 325.460 2.479 10 0 EEAELP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000663343758 471333981 /nfs/dbraw/zinc/33/39/81/471333981.db2.gz DSDOIBMPPPLNNV-KRWDZBQOSA-N 3 2 325.460 2.479 10 0 EEAELP COc1cc2cc[nH+]c(NC[C@@H](C)N3CC[NH+](C)CC3)c2cc1OC ZINC000663530267 471413601 /nfs/dbraw/zinc/41/36/01/471413601.db2.gz WHMHWJGCSDZAQO-CQSZACIVSA-N 2 2 344.459 2.300 10 0 EEAELP COc1cc2cc[nH+]c(NC[C@@H](C)[NH+]3CCN(C)CC3)c2cc1OC ZINC000663530267 471413605 /nfs/dbraw/zinc/41/36/05/471413605.db2.gz WHMHWJGCSDZAQO-CQSZACIVSA-N 2 2 344.459 2.300 10 0 EEAELP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663683136 471473212 /nfs/dbraw/zinc/47/32/12/471473212.db2.gz YOUUOONNONUYCK-QGZVFWFLSA-N 2 2 345.491 2.176 10 0 EEAELP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663683136 471473214 /nfs/dbraw/zinc/47/32/14/471473214.db2.gz YOUUOONNONUYCK-QGZVFWFLSA-N 2 2 345.491 2.176 10 0 EEAELP O=C(NC[C@@H]1CCCC[NH2+]1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000666676765 471493886 /nfs/dbraw/zinc/49/38/86/471493886.db2.gz UREGPGOVOFKFLT-ZDUSSCGKSA-N 2 2 337.493 2.393 10 0 EEAELP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nn1 ZINC000655938310 471550761 /nfs/dbraw/zinc/55/07/61/471550761.db2.gz RNBZRPGDCZGEBZ-OCCSQVGLSA-N 2 2 344.381 2.382 10 0 EEAELP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nn1 ZINC000655938310 471550766 /nfs/dbraw/zinc/55/07/66/471550766.db2.gz RNBZRPGDCZGEBZ-OCCSQVGLSA-N 2 2 344.381 2.382 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(N3CCN(c4[nH]cc[nH+]4)CC3)n2)C1 ZINC000656179038 471620849 /nfs/dbraw/zinc/62/08/49/471620849.db2.gz GGHKPHGQBJKZOP-UHFFFAOYSA-N 2 2 341.463 2.153 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000667355692 471752939 /nfs/dbraw/zinc/75/29/39/471752939.db2.gz AVCJKZLWLLVVGN-XJKSGUPXSA-N 2 2 330.432 2.307 10 0 EEAELP O=C(CC[N@H+]1CCC[C@H](CCF)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661693761 471854932 /nfs/dbraw/zinc/85/49/32/471854932.db2.gz SKSXHMLTZVEPNT-QGZVFWFLSA-N 2 2 348.466 2.192 10 0 EEAELP O=C(CC[N@@H+]1CCC[C@H](CCF)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661693761 471854935 /nfs/dbraw/zinc/85/49/35/471854935.db2.gz SKSXHMLTZVEPNT-QGZVFWFLSA-N 2 2 348.466 2.192 10 0 EEAELP O[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C12CCC2 ZINC000661828371 471896360 /nfs/dbraw/zinc/89/63/60/471896360.db2.gz SYLMYTYCRVIGPP-GUDVDZBRSA-N 2 2 330.472 2.171 10 0 EEAELP O[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C12CCC2 ZINC000661828371 471896363 /nfs/dbraw/zinc/89/63/63/471896363.db2.gz SYLMYTYCRVIGPP-GUDVDZBRSA-N 2 2 330.472 2.171 10 0 EEAELP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)c1[nH+]ccn1C ZINC000662094620 471982891 /nfs/dbraw/zinc/98/28/91/471982891.db2.gz BXDRCYOOEMCFOL-AWEZNQCLSA-N 2 2 329.448 2.085 10 0 EEAELP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1[nH+]ccn1C ZINC000662100410 471985271 /nfs/dbraw/zinc/98/52/71/471985271.db2.gz OFDNZEBWCHNVHW-OFQRWUPVSA-N 2 2 331.464 2.139 10 0 EEAELP C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1[nH+]ccn1C ZINC000662100410 471985273 /nfs/dbraw/zinc/98/52/73/471985273.db2.gz OFDNZEBWCHNVHW-OFQRWUPVSA-N 2 2 331.464 2.139 10 0 EEAELP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)n1 ZINC000665292315 471992136 /nfs/dbraw/zinc/99/21/36/471992136.db2.gz YONDKKSSARDDLT-ZDUSSCGKSA-N 2 2 334.807 2.298 10 0 EEAELP CN(C)c1noc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271743 472051840 /nfs/dbraw/zinc/05/18/40/472051840.db2.gz YTXUIYWWFUWHLT-IAGOWNOFSA-N 2 2 343.475 2.308 10 0 EEAELP CN(C)c1noc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000662271743 472051844 /nfs/dbraw/zinc/05/18/44/472051844.db2.gz YTXUIYWWFUWHLT-IAGOWNOFSA-N 2 2 343.475 2.308 10 0 EEAELP Cc1nc2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2o1 ZINC000665451227 472052037 /nfs/dbraw/zinc/05/20/37/472052037.db2.gz JSTUATJDASYIFY-UHFFFAOYSA-N 2 2 333.436 2.141 10 0 EEAELP Cc1nc2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2o1 ZINC000665451227 472052040 /nfs/dbraw/zinc/05/20/40/472052040.db2.gz JSTUATJDASYIFY-UHFFFAOYSA-N 2 2 333.436 2.141 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000662315440 472066344 /nfs/dbraw/zinc/06/63/44/472066344.db2.gz FTTYLNZNVPDLQM-INIZCTEOSA-N 2 2 328.412 2.338 10 0 EEAELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCOc3ccc(O)cc3C2)cc1 ZINC000662315440 472066347 /nfs/dbraw/zinc/06/63/47/472066347.db2.gz FTTYLNZNVPDLQM-INIZCTEOSA-N 2 2 328.412 2.338 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317513 472067691 /nfs/dbraw/zinc/06/76/91/472067691.db2.gz QQCJDDBFLCMDGC-KURKYZTESA-N 2 2 339.524 2.209 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317513 472067694 /nfs/dbraw/zinc/06/76/94/472067694.db2.gz QQCJDDBFLCMDGC-KURKYZTESA-N 2 2 339.524 2.209 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000662318605 472067873 /nfs/dbraw/zinc/06/78/73/472067873.db2.gz CIWHLQVUDMFUOT-LJQANCHMSA-N 2 2 328.460 2.415 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCO1 ZINC000662318605 472067876 /nfs/dbraw/zinc/06/78/76/472067876.db2.gz CIWHLQVUDMFUOT-LJQANCHMSA-N 2 2 328.460 2.415 10 0 EEAELP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000662866892 472282699 /nfs/dbraw/zinc/28/26/99/472282699.db2.gz GAUMHYAAMORLCW-IEBWSBKVSA-N 2 2 347.422 2.143 10 0 EEAELP Cc1nc2[nH]ccc2c(N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[nH+]1 ZINC000680377946 485957505 /nfs/dbraw/zinc/95/75/05/485957505.db2.gz KEHXEWSFZPQAIM-UHFFFAOYSA-N 2 2 342.491 2.120 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000672795598 486199913 /nfs/dbraw/zinc/19/99/13/486199913.db2.gz UFIJRXKVKMQVIV-OAHLLOKOSA-N 2 2 344.450 2.032 10 0 EEAELP Fc1cccn2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)nc12 ZINC000678139342 486581541 /nfs/dbraw/zinc/58/15/41/486581541.db2.gz SUJGLXISHUWHBQ-UHFFFAOYSA-N 2 2 332.423 2.018 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCC(=O)N2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422693814 536890227 /nfs/dbraw/zinc/89/02/27/536890227.db2.gz MQYKUCMGMWUSRA-AZUAARDMSA-N 2 2 345.487 2.481 10 0 EEAELP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[nH]c1C(C)C ZINC000895332121 684502482 /nfs/dbraw/zinc/50/24/82/684502482.db2.gz FVMVWORSXAMOPF-MRXNPFEDSA-N 2 2 349.475 2.268 10 0 EEAELP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000931355137 685027246 /nfs/dbraw/zinc/02/72/46/685027246.db2.gz QBEVIPLOWCZEEX-OAHLLOKOSA-N 2 2 341.496 2.038 10 0 EEAELP C[C@H]1[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC000925331731 692840828 /nfs/dbraw/zinc/84/08/28/692840828.db2.gz KVRURIXVFMDTBZ-DOTOQJQBSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@H]1[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC000925331731 692840832 /nfs/dbraw/zinc/84/08/32/692840832.db2.gz KVRURIXVFMDTBZ-DOTOQJQBSA-N 2 2 333.480 2.178 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2csc(C)n2)CC1(C)C ZINC001485581766 1191848283 /nfs/dbraw/zinc/84/82/83/1191848283.db2.gz JVJVTFXISFTARE-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2csc(C)n2)CC1(C)C ZINC001485581766 1191848284 /nfs/dbraw/zinc/84/82/84/1191848284.db2.gz JVJVTFXISFTARE-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2csc(C)n2)CC1(C)C ZINC001485581766 1191848285 /nfs/dbraw/zinc/84/82/85/1191848285.db2.gz JVJVTFXISFTARE-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC001485581766 1191848287 /nfs/dbraw/zinc/84/82/87/1191848287.db2.gz JVJVTFXISFTARE-OAHLLOKOSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1cccc([C@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4c[nH]c[nH+]4)[C@@H]3C2)c1 ZINC001485617004 1191863937 /nfs/dbraw/zinc/86/39/37/1191863937.db2.gz YIVCMYNVBJRYPT-UDTPNQRGSA-N 2 2 338.455 2.316 10 0 EEAELP Cc1cccc([C@H](C)[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4c[nH]c[nH+]4)[C@@H]3C2)c1 ZINC001485617004 1191863940 /nfs/dbraw/zinc/86/39/40/1191863940.db2.gz YIVCMYNVBJRYPT-UDTPNQRGSA-N 2 2 338.455 2.316 10 0 EEAELP CCCCCC[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001485649722 1191869715 /nfs/dbraw/zinc/86/97/15/1191869715.db2.gz QSPRGIISHSJPKV-NVXWUHKLSA-N 2 2 336.480 2.046 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2F)C1 ZINC001485691838 1191892379 /nfs/dbraw/zinc/89/23/79/1191892379.db2.gz VKLPTBNCJBLDSE-CTYIDZIISA-N 2 2 348.397 2.236 10 0 EEAELP CC/C=C\CC[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266414526 1176505916 /nfs/dbraw/zinc/50/59/16/1176505916.db2.gz DQMWGCDCODCILK-OPCNFVSTSA-N 2 2 330.476 2.286 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266740978 1177332033 /nfs/dbraw/zinc/33/20/33/1177332033.db2.gz GMHHMUFBMNTFRR-CVEARBPZSA-N 2 2 346.475 2.117 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266740978 1177332043 /nfs/dbraw/zinc/33/20/43/1177332043.db2.gz GMHHMUFBMNTFRR-CVEARBPZSA-N 2 2 346.475 2.117 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]Cc1ccc(Cl)nc1)n1cc[nH+]c1 ZINC001266847933 1177541440 /nfs/dbraw/zinc/54/14/40/1177541440.db2.gz DWTSONKDHVCBTJ-ZDUSSCGKSA-N 2 2 335.839 2.131 10 0 EEAELP COCCCC[N@@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691146126 1177636510 /nfs/dbraw/zinc/63/65/10/1177636510.db2.gz NQIURPILNCHSCZ-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP COCCCC[N@H+]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691146126 1177636511 /nfs/dbraw/zinc/63/65/11/1177636511.db2.gz NQIURPILNCHSCZ-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]Cc3ocnc3C)ccn12 ZINC001267129725 1178300869 /nfs/dbraw/zinc/30/08/69/1178300869.db2.gz WKNSFOHYVMXZDG-GFCCVEGCSA-N 2 2 341.415 2.237 10 0 EEAELP CO[C@@H](C[N@@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001481067461 1179670716 /nfs/dbraw/zinc/67/07/16/1179670716.db2.gz RXWSPGSUIMGUJL-WMZOPIPTSA-N 2 2 348.491 2.046 10 0 EEAELP CO[C@@H](C[N@H+]1CCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001481067461 1179670718 /nfs/dbraw/zinc/67/07/18/1179670718.db2.gz RXWSPGSUIMGUJL-WMZOPIPTSA-N 2 2 348.491 2.046 10 0 EEAELP CC(C)CC[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001481169293 1179977033 /nfs/dbraw/zinc/97/70/33/1179977033.db2.gz NEPAEPKPLWRQJQ-UHFFFAOYSA-N 2 2 332.492 2.389 10 0 EEAELP CC(C)CC[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001481169293 1179977036 /nfs/dbraw/zinc/97/70/36/1179977036.db2.gz NEPAEPKPLWRQJQ-UHFFFAOYSA-N 2 2 332.492 2.389 10 0 EEAELP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481248109 1180455942 /nfs/dbraw/zinc/45/59/42/1180455942.db2.gz MSUFDUWMDWYAHT-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267778625 1180513107 /nfs/dbraw/zinc/51/31/07/1180513107.db2.gz DXXBRTJIDCVSCM-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267778625 1180513115 /nfs/dbraw/zinc/51/31/15/1180513115.db2.gz DXXBRTJIDCVSCM-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP CC[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001267807768 1180561464 /nfs/dbraw/zinc/56/14/64/1180561464.db2.gz CZZMXZKFIRWAAI-ZDUSSCGKSA-N 2 2 335.839 2.075 10 0 EEAELP CC[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001267807768 1180561467 /nfs/dbraw/zinc/56/14/67/1180561467.db2.gz CZZMXZKFIRWAAI-ZDUSSCGKSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)CCc1c[nH+]cn1C ZINC001268096418 1181739398 /nfs/dbraw/zinc/73/93/98/1181739398.db2.gz OQLWFELJPXTNRN-HNNXBMFYSA-N 2 2 346.450 2.171 10 0 EEAELP CN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001481737415 1182451210 /nfs/dbraw/zinc/45/12/10/1182451210.db2.gz ZOOWLVDZGHZXKK-OAHLLOKOSA-N 2 2 332.473 2.147 10 0 EEAELP CN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001481737415 1182451214 /nfs/dbraw/zinc/45/12/14/1182451214.db2.gz ZOOWLVDZGHZXKK-OAHLLOKOSA-N 2 2 332.473 2.147 10 0 EEAELP CC[C@@H](F)C[NH2+]CC[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001268408446 1182536677 /nfs/dbraw/zinc/53/66/77/1182536677.db2.gz LHKATKBHEQZXPF-HUUCEWRRSA-N 2 2 334.439 2.418 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001268420090 1182584639 /nfs/dbraw/zinc/58/46/39/1182584639.db2.gz FAELXPYCDOAQNG-INIZCTEOSA-N 2 2 328.460 2.346 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2Cl ZINC001268633240 1183560809 /nfs/dbraw/zinc/56/08/09/1183560809.db2.gz KXNDFLLDGREILH-IMLGJKEDSA-N 2 2 344.846 2.486 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268665127 1183592731 /nfs/dbraw/zinc/59/27/31/1183592731.db2.gz PCYSFNMTHZIFBB-UONOGXRCSA-N 2 2 339.443 2.364 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268665127 1183592733 /nfs/dbraw/zinc/59/27/33/1183592733.db2.gz PCYSFNMTHZIFBB-UONOGXRCSA-N 2 2 339.443 2.364 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CCC[NH2+]Cc1ccsc1 ZINC001268800117 1183715856 /nfs/dbraw/zinc/71/58/56/1183715856.db2.gz KEFSJQXVABJRPO-UHFFFAOYSA-N 2 2 333.457 2.333 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@H+]1CCCCCF ZINC001269234682 1184082673 /nfs/dbraw/zinc/08/26/73/1184082673.db2.gz CZQQBMOXSQWXPM-MRXNPFEDSA-N 2 2 336.455 2.092 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@@H+]1CCCCCF ZINC001269234682 1184082678 /nfs/dbraw/zinc/08/26/78/1184082678.db2.gz CZQQBMOXSQWXPM-MRXNPFEDSA-N 2 2 336.455 2.092 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001269255012 1184105671 /nfs/dbraw/zinc/10/56/71/1184105671.db2.gz JXISWDDQZCTNAW-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001269255012 1184105676 /nfs/dbraw/zinc/10/56/76/1184105676.db2.gz JXISWDDQZCTNAW-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)CCc2c[nH+]cn2C)cc1 ZINC001482360617 1185507381 /nfs/dbraw/zinc/50/73/81/1185507381.db2.gz DQXZDJLLFHYXRO-KRWDZBQOSA-N 2 2 342.487 2.340 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482373912 1185544600 /nfs/dbraw/zinc/54/46/00/1185544600.db2.gz KVQMMHPWZHKJAT-MAUKXSAKSA-N 2 2 326.444 2.397 10 0 EEAELP COCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001270973670 1185782503 /nfs/dbraw/zinc/78/25/03/1185782503.db2.gz DYOGKQVUVRZFSS-LJQANCHMSA-N 2 2 344.459 2.203 10 0 EEAELP COCCC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001270973670 1185782506 /nfs/dbraw/zinc/78/25/06/1185782506.db2.gz DYOGKQVUVRZFSS-LJQANCHMSA-N 2 2 344.459 2.203 10 0 EEAELP COCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272023512 1187033507 /nfs/dbraw/zinc/03/35/07/1187033507.db2.gz ILJLAQJEBSUNTG-SJORKVTESA-N 2 2 348.491 2.028 10 0 EEAELP COCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272023512 1187033511 /nfs/dbraw/zinc/03/35/11/1187033511.db2.gz ILJLAQJEBSUNTG-SJORKVTESA-N 2 2 348.491 2.028 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)o1 ZINC001482635673 1187462941 /nfs/dbraw/zinc/46/29/41/1187462941.db2.gz IBUHIMBIBBDZHZ-UHFFFAOYSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1ncc(C[N@H+](C)CCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)o1 ZINC001482635673 1187462944 /nfs/dbraw/zinc/46/29/44/1187462944.db2.gz IBUHIMBIBBDZHZ-UHFFFAOYSA-N 2 2 344.459 2.249 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482929929 1187851388 /nfs/dbraw/zinc/85/13/88/1187851388.db2.gz CCCBBSXSNAUYHS-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001483009602 1187992300 /nfs/dbraw/zinc/99/23/00/1187992300.db2.gz CJGBSDCOKCTVOB-VGOKWCNXSA-N 2 2 331.464 2.018 10 0 EEAELP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483009602 1187992304 /nfs/dbraw/zinc/99/23/04/1187992304.db2.gz CJGBSDCOKCTVOB-VGOKWCNXSA-N 2 2 331.464 2.018 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001483100143 1188477010 /nfs/dbraw/zinc/47/70/10/1188477010.db2.gz AKKUYJBQVMRXKE-OAJJDEHYSA-N 2 2 338.455 2.265 10 0 EEAELP CO[C@H](C)C[NH2+]CC1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001409270766 1188483593 /nfs/dbraw/zinc/48/35/93/1188483593.db2.gz AMVDBPQNFVHKKX-HPUBIQBYSA-N 2 2 342.443 2.005 10 0 EEAELP CCc1nocc1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001409347761 1189558899 /nfs/dbraw/zinc/55/88/99/1189558899.db2.gz FZBVWXXBKFXLNP-KGLIPLIRSA-N 2 2 347.463 2.160 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001485893018 1193631934 /nfs/dbraw/zinc/63/19/34/1193631934.db2.gz SDFIKYZOICGICX-LBPRGKRZSA-N 2 2 342.434 2.408 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001485894024 1193632526 /nfs/dbraw/zinc/63/25/26/1193632526.db2.gz MQGGDVAFLFKFLQ-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CCc1ccccc1Cl ZINC001409448463 1189694042 /nfs/dbraw/zinc/69/40/42/1189694042.db2.gz DMOCXIIHFPXXSE-UONOGXRCSA-N 2 2 334.851 2.262 10 0 EEAELP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001485924297 1193641843 /nfs/dbraw/zinc/64/18/43/1193641843.db2.gz XQGQRCXUIKSHLU-CGTJXYLNSA-N 2 2 340.471 2.469 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001485928595 1193648615 /nfs/dbraw/zinc/64/86/15/1193648615.db2.gz XKOKZGAONDLIIG-KGLIPLIRSA-N 2 2 330.432 2.159 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001409576338 1190060419 /nfs/dbraw/zinc/06/04/19/1190060419.db2.gz ISOXOYYIHXEISD-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001409576338 1190060424 /nfs/dbraw/zinc/06/04/24/1190060424.db2.gz ISOXOYYIHXEISD-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001409579122 1190064131 /nfs/dbraw/zinc/06/41/31/1190064131.db2.gz KHBQSRYBOUYBDY-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001409579122 1190064136 /nfs/dbraw/zinc/06/41/36/1190064136.db2.gz 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CC(C)(C)[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)Cn1cc[nH+]c1 ZINC001486421520 1193935448 /nfs/dbraw/zinc/93/54/48/1193935448.db2.gz DENBYPYXNYYQQQ-NSHDSACASA-N 2 2 333.263 2.323 10 0 EEAELP O=C(NCc1ccc(C[NH2+]CCCF)cc1F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001486524109 1194046844 /nfs/dbraw/zinc/04/68/44/1194046844.db2.gz POGLMGJJQQHGPQ-HUUCEWRRSA-N 2 2 348.397 2.418 10 0 EEAELP O=C(NCc1ccc(C[NH2+]CCCF)cc1F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001486524109 1194046847 /nfs/dbraw/zinc/04/68/47/1194046847.db2.gz POGLMGJJQQHGPQ-HUUCEWRRSA-N 2 2 348.397 2.418 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)C1C[NH+](CCC2CCCCC2)C1 ZINC001409957856 1194320863 /nfs/dbraw/zinc/32/08/63/1194320863.db2.gz HRQAVIFNNIWZJE-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP O=C(NCC1([NH2+]CCCCCF)CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001273105576 1194389041 /nfs/dbraw/zinc/38/90/41/1194389041.db2.gz CZPZTWLSLYSZFU-OAHLLOKOSA-N 2 2 336.455 2.214 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCc1ccccc1F ZINC001410378784 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C[C@H](C[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925521869 1206122470 /nfs/dbraw/zinc/12/24/70/1206122470.db2.gz KQKJCGSLWXMLQK-NZSAHSFTSA-N 2 2 328.504 2.057 10 0 EEAELP CSCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])C12CCC2)c1nnc2ccccn21 ZINC000925524303 1206122924 /nfs/dbraw/zinc/12/29/24/1206122924.db2.gz RIIHKLDSVRGGBD-IHRRRGAJSA-N 2 2 331.489 2.383 10 0 EEAELP COC(=O)c1nc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)ccc1Cl ZINC000925708093 1206145201 /nfs/dbraw/zinc/14/52/01/1206145201.db2.gz CLWXSQVKQZKPIC-BYCMXARLSA-N 2 2 337.851 2.388 10 0 EEAELP O=S1(=O)CC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2cc(F)ccc21 ZINC000925846533 1206159521 /nfs/dbraw/zinc/15/95/21/1206159521.db2.gz PPAHNQQLYUBOKB-USXIJHARSA-N 2 2 338.448 2.166 10 0 EEAELP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCC2)N[C@@H]1CCCc2ccccc21 ZINC000903469212 1240568203 /nfs/dbraw/zinc/56/82/03/1240568203.db2.gz RQZPPHKLPYNWKW-QZTJIDSGSA-N 2 2 327.472 2.445 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001491507550 1259158360 /nfs/dbraw/zinc/15/83/60/1259158360.db2.gz JWTQLYZNRDWSKO-RDJZCZTQSA-N 2 2 326.444 2.048 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1Cl)C(=O)Cn1cc[nH+]c1 ZINC001273778675 1285479289 /nfs/dbraw/zinc/47/92/89/1285479289.db2.gz NQLWHWXDUPEIRL-UHFFFAOYSA-N 2 2 334.851 2.217 10 0 EEAELP Cc1cccc(C[N@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001490390107 1291279943 /nfs/dbraw/zinc/27/99/43/1291279943.db2.gz VGOUWDFZRNZRFD-UHFFFAOYSA-N 2 2 326.444 2.432 10 0 EEAELP Cc1cccc(C[N@@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001490390107 1291279947 /nfs/dbraw/zinc/27/99/47/1291279947.db2.gz VGOUWDFZRNZRFD-UHFFFAOYSA-N 2 2 326.444 2.432 10 0 EEAELP O=C(NC[C@H]([NH2+]CCc1cccs1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001490674146 1291557589 /nfs/dbraw/zinc/55/75/89/1291557589.db2.gz PMIPXUREOVYIAV-OAGGEKHMSA-N 2 2 344.484 2.302 10 0 EEAELP O=C(NC[C@H]([NH2+]CCc1cccs1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001490674146 1291557596 /nfs/dbraw/zinc/55/75/96/1291557596.db2.gz PMIPXUREOVYIAV-OAGGEKHMSA-N 2 2 344.484 2.302 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(=O)oc3cc(O)ccc23)CCO1 ZINC000852760389 1292189819 /nfs/dbraw/zinc/18/98/19/1292189819.db2.gz FDXZCRBUJCQSFB-MRXNPFEDSA-N 2 2 346.427 2.041 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)CCO1 ZINC000852760389 1292189822 /nfs/dbraw/zinc/18/98/22/1292189822.db2.gz FDXZCRBUJCQSFB-MRXNPFEDSA-N 2 2 346.427 2.041 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3[nH]ncc3C)C2)ccn1 ZINC000856551140 1293563940 /nfs/dbraw/zinc/56/39/40/1293563940.db2.gz LJBDYEKFSHALDP-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3[nH]ncc3C)C2)ccn1 ZINC000856551140 1293563943 /nfs/dbraw/zinc/56/39/43/1293563943.db2.gz LJBDYEKFSHALDP-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3[nH]ncc3C)C2)ccn1 ZINC000856551140 1293563946 /nfs/dbraw/zinc/56/39/46/1293563946.db2.gz LJBDYEKFSHALDP-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3[nH]ncc3C)C2)ccn1 ZINC000856551140 1293563950 /nfs/dbraw/zinc/56/39/50/1293563950.db2.gz LJBDYEKFSHALDP-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3n[nH]cc3C)C2)ccn1 ZINC000856551140 1293563953 /nfs/dbraw/zinc/56/39/53/1293563953.db2.gz LJBDYEKFSHALDP-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3n[nH]cc3C)C2)ccn1 ZINC000856551140 1293563959 /nfs/dbraw/zinc/56/39/59/1293563959.db2.gz LJBDYEKFSHALDP-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3n[nH]cc3C)C2)ccn1 ZINC000856551140 1293563962 /nfs/dbraw/zinc/56/39/62/1293563962.db2.gz LJBDYEKFSHALDP-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3n[nH]cc3C)C2)ccn1 ZINC000856551140 1293563966 /nfs/dbraw/zinc/56/39/66/1293563966.db2.gz LJBDYEKFSHALDP-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cn(C)nc3Cl)CC2)CC1 ZINC000857047598 1293706616 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EEAELP O=C1[C@@H]2CCC[C@@H]2CN1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000840040931 1315281033 /nfs/dbraw/zinc/28/10/33/1315281033.db2.gz IBZIMXUUVMYDDN-RTBURBONSA-N 2 2 349.519 2.027 10 0 EEAELP C[C@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001278519723 1317127162 /nfs/dbraw/zinc/12/71/62/1317127162.db2.gz WGROYCIMMYSTPL-DDOFBTJDSA-N 2 2 336.867 2.026 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278566407 1317248166 /nfs/dbraw/zinc/24/81/66/1317248166.db2.gz XHCYVHPYKCKZLU-VXGBXAGGSA-N 2 2 332.370 2.169 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278566407 1317248172 /nfs/dbraw/zinc/24/81/72/1317248172.db2.gz XHCYVHPYKCKZLU-VXGBXAGGSA-N 2 2 332.370 2.169 10 0 EEAELP CC(C)OCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001279007071 1318984801 /nfs/dbraw/zinc/98/48/01/1318984801.db2.gz VITJPMOXXCOZOA-CABCVRRESA-N 2 2 344.459 2.428 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001276453529 1322094883 /nfs/dbraw/zinc/09/48/83/1322094883.db2.gz MSGRMXFGDOADTD-HUUCEWRRSA-N 2 2 336.480 2.212 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001263960629 1322571498 /nfs/dbraw/zinc/57/14/98/1322571498.db2.gz JJWNEIHNRLVOOP-FUHWJXTLSA-N 2 2 341.459 2.085 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001264435529 1322701551 /nfs/dbraw/zinc/70/15/51/1322701551.db2.gz MVPWADLDMQLSPZ-IJLUTSLNSA-N 2 2 345.274 2.021 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc2c(c1)CCC2 ZINC001265051085 1322891460 /nfs/dbraw/zinc/89/14/60/1322891460.db2.gz XYOPMJVJWVFARH-UHFFFAOYSA-N 2 2 326.444 2.079 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc2c(c1)CCC2 ZINC001265051085 1322891462 /nfs/dbraw/zinc/89/14/62/1322891462.db2.gz XYOPMJVJWVFARH-UHFFFAOYSA-N 2 2 326.444 2.079 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001265484785 1323178557 /nfs/dbraw/zinc/17/85/57/1323178557.db2.gz ORAPWBZHRCSFPX-BRWVUGGUSA-N 2 2 330.476 2.263 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001265545099 1323214060 /nfs/dbraw/zinc/21/40/60/1323214060.db2.gz UTGJHWBNFKLJBB-YVECIDJPSA-N 2 2 344.381 2.483 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001265545099 1323214063 /nfs/dbraw/zinc/21/40/63/1323214063.db2.gz UTGJHWBNFKLJBB-YVECIDJPSA-N 2 2 344.381 2.483 10 0 EEAELP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265615182 1323268485 /nfs/dbraw/zinc/26/84/85/1323268485.db2.gz BSWCEULHKJDWTR-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001266031579 1323582050 /nfs/dbraw/zinc/58/20/50/1323582050.db2.gz GMMLNZIXYMFXGC-LBPRGKRZSA-N 2 2 345.274 2.110 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](C[NH2+]CCc2ccccc2)C1)c1c[nH+]c[nH]1 ZINC001266029202 1323580280 /nfs/dbraw/zinc/58/02/80/1323580280.db2.gz MFSRSEZCLUVVPX-KRWDZBQOSA-N 2 2 340.471 2.368 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001266039804 1323590335 /nfs/dbraw/zinc/59/03/35/1323590335.db2.gz BEIVESBHAZMWBY-INIZCTEOSA-N 2 2 346.862 2.217 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[C@@H](C)[NH2+]CCOC(C)C)ccn12 ZINC001266144269 1323714559 /nfs/dbraw/zinc/71/45/59/1323714559.db2.gz ONHZMLYYCQZTOA-CQSZACIVSA-N 2 2 332.448 2.166 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001280264567 1324135591 /nfs/dbraw/zinc/13/55/91/1324135591.db2.gz YLTMYHQCYHLJCH-KRWDZBQOSA-N 2 2 330.476 2.291 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001491813270 1330279237 /nfs/dbraw/zinc/27/92/37/1330279237.db2.gz BCOSVUNGZKEBJR-JKSUJKDBSA-N 2 2 336.455 2.023 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)Cc1ncccc1C ZINC001492256428 1331117232 /nfs/dbraw/zinc/11/72/32/1331117232.db2.gz DTKAERJHRSMVBC-INIZCTEOSA-N 2 2 343.475 2.348 10 0 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CC(C)OCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001672521432 1356543058 /nfs/dbraw/zinc/54/30/58/1356543058.db2.gz DYJYDPJCDZWYTQ-ROUUACIJSA-N 2 2 348.491 2.223 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001672816294 1356590901 /nfs/dbraw/zinc/59/09/01/1356590901.db2.gz PFTTVWDNGTZCCI-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001675597971 1357011607 /nfs/dbraw/zinc/01/16/07/1357011607.db2.gz FYSAQPBOIJTDEX-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001675597971 1357011612 /nfs/dbraw/zinc/01/16/12/1357011612.db2.gz FYSAQPBOIJTDEX-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)[nH]n1 ZINC001675745981 1357045456 /nfs/dbraw/zinc/04/54/56/1357045456.db2.gz URQBCLMOUUDXPJ-MPGHIAIKSA-N 2 2 345.491 2.075 10 0 EEAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)[nH]n1 ZINC001675745981 1357045459 /nfs/dbraw/zinc/04/54/59/1357045459.db2.gz URQBCLMOUUDXPJ-MPGHIAIKSA-N 2 2 345.491 2.075 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ccns1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001675972893 1357079090 /nfs/dbraw/zinc/07/90/90/1357079090.db2.gz BOGAQGFWXGOYES-BPLDGKMQSA-N 2 2 347.488 2.055 10 0 EEAELP C[C@@H](CCC[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001675978900 1357080623 /nfs/dbraw/zinc/08/06/23/1357080623.db2.gz BJLALWJQUIFJFC-QWHCGFSZSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C[NH2+]CCC1CC1 ZINC001699962625 1405606314 /nfs/dbraw/zinc/60/63/14/1405606314.db2.gz KNHGPMPLIITCSE-ZBFHGGJFSA-N 2 2 326.444 2.432 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001699986861 1405633568 /nfs/dbraw/zinc/63/35/68/1405633568.db2.gz AXKATLTWNIYAHA-PSUYNTKASA-N 2 2 330.476 2.479 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001699986861 1405633590 /nfs/dbraw/zinc/63/35/90/1405633590.db2.gz AXKATLTWNIYAHA-PSUYNTKASA-N 2 2 330.476 2.479 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001699986861 1405633600 /nfs/dbraw/zinc/63/36/00/1405633600.db2.gz AXKATLTWNIYAHA-PSUYNTKASA-N 2 2 330.476 2.479 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001699986861 1405633613 /nfs/dbraw/zinc/63/36/13/1405633613.db2.gz AXKATLTWNIYAHA-PSUYNTKASA-N 2 2 330.476 2.479 10 0 EEAELP CON(C)C(=O)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000819184889 785453624 /nfs/dbraw/zinc/45/36/24/785453624.db2.gz JKJSAKYYJTVPEK-QGZVFWFLSA-N 2 2 330.432 2.241 10 0 EEAELP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000912803050 788375485 /nfs/dbraw/zinc/37/54/85/788375485.db2.gz KNKNUOYYRZKMKS-RDJZCZTQSA-N 2 2 332.492 2.341 10 0 EEAELP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915618 788473090 /nfs/dbraw/zinc/47/30/90/788473090.db2.gz PKXWMIFQXZVGNH-MOPGFXCFSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915618 788473094 /nfs/dbraw/zinc/47/30/94/788473094.db2.gz PKXWMIFQXZVGNH-MOPGFXCFSA-N 2 2 345.462 2.487 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844472104 789141957 /nfs/dbraw/zinc/14/19/57/789141957.db2.gz BTYCYGOEMUDEOJ-MUGJNUQGSA-N 2 2 330.472 2.438 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844472104 789141960 /nfs/dbraw/zinc/14/19/60/789141960.db2.gz BTYCYGOEMUDEOJ-MUGJNUQGSA-N 2 2 330.472 2.438 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)nc2N)CC[N@@H+]1C ZINC000929783574 794749212 /nfs/dbraw/zinc/74/92/12/794749212.db2.gz UQDIMMKYWLYLFM-PWSUYJOCSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)nc2N)CC[N@H+]1C ZINC000929783574 794749219 /nfs/dbraw/zinc/74/92/19/794749219.db2.gz UQDIMMKYWLYLFM-PWSUYJOCSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)nc2N)CC[NH+]1C ZINC000929783574 794749222 /nfs/dbraw/zinc/74/92/22/794749222.db2.gz UQDIMMKYWLYLFM-PWSUYJOCSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)nc2N)CC[NH+]1C ZINC000929783574 794749228 /nfs/dbraw/zinc/74/92/28/794749228.db2.gz UQDIMMKYWLYLFM-PWSUYJOCSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000716619149 796394148 /nfs/dbraw/zinc/39/41/48/796394148.db2.gz BTFPNUXZGKWZPR-UBDQQSCGSA-N 2 2 336.501 2.062 10 0 EEAELP C[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000716619149 796394153 /nfs/dbraw/zinc/39/41/53/796394153.db2.gz BTFPNUXZGKWZPR-UBDQQSCGSA-N 2 2 336.501 2.062 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1cc(C)on1 ZINC001436447232 1087869186 /nfs/dbraw/zinc/86/91/86/1087869186.db2.gz VVPIQWGWQIHLAM-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+]1Cc1cc(C)on1 ZINC001436447232 1087869210 /nfs/dbraw/zinc/86/92/10/1087869210.db2.gz VVPIQWGWQIHLAM-ZWKOTPCHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1C ZINC001437160191 1089168849 /nfs/dbraw/zinc/16/88/49/1089168849.db2.gz BLKNEJRMSRNEKJ-AEFFLSMTSA-N 2 2 340.471 2.357 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001437913006 1090494349 /nfs/dbraw/zinc/49/43/49/1090494349.db2.gz RHMJGDRYCMXARS-MSOLQXFVSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001437913006 1090494351 /nfs/dbraw/zinc/49/43/51/1090494351.db2.gz RHMJGDRYCMXARS-MSOLQXFVSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001437913006 1090494354 /nfs/dbraw/zinc/49/43/54/1090494354.db2.gz RHMJGDRYCMXARS-MSOLQXFVSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2csc(C)n2)C1 ZINC001437913171 1090495821 /nfs/dbraw/zinc/49/58/21/1090495821.db2.gz SEHXRBNGFHBRDI-INIZCTEOSA-N 2 2 338.521 2.216 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC001437913171 1090495822 /nfs/dbraw/zinc/49/58/22/1090495822.db2.gz SEHXRBNGFHBRDI-INIZCTEOSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001438029531 1090612928 /nfs/dbraw/zinc/61/29/28/1090612928.db2.gz FTDRAQFPORIVEP-SOLBZPMBSA-N 2 2 347.507 2.013 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001438029531 1090612931 /nfs/dbraw/zinc/61/29/31/1090612931.db2.gz FTDRAQFPORIVEP-SOLBZPMBSA-N 2 2 347.507 2.013 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC(C)(C)C1 ZINC001438339783 1090815430 /nfs/dbraw/zinc/81/54/30/1090815430.db2.gz ZRNOJTZNVXXQGF-HZPDHXFCSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH2+]CC1CC2(CCC2)C1 ZINC001438504277 1090997621 /nfs/dbraw/zinc/99/76/21/1090997621.db2.gz PSXJFIULSNNTSG-DOTOQJQBSA-N 2 2 344.503 2.368 10 0 EEAELP CCO[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001438677328 1091171371 /nfs/dbraw/zinc/17/13/71/1091171371.db2.gz XFJQMGRAIVDOQT-WMLDXEAASA-N 2 2 344.459 2.200 10 0 EEAELP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001445772028 1091633788 /nfs/dbraw/zinc/63/37/88/1091633788.db2.gz WWOQKLSITAHSAF-GDBMZVCRSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001445772028 1091633792 /nfs/dbraw/zinc/63/37/92/1091633792.db2.gz WWOQKLSITAHSAF-GDBMZVCRSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1cccc(F)c1 ZINC001446061907 1092074308 /nfs/dbraw/zinc/07/43/08/1092074308.db2.gz NJXZQUSDXYACAN-YOEHRIQHSA-N 2 2 330.407 2.282 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1cccc(F)c1 ZINC001446061907 1092074315 /nfs/dbraw/zinc/07/43/15/1092074315.db2.gz NJXZQUSDXYACAN-YOEHRIQHSA-N 2 2 330.407 2.282 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1c(F)cccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001439361351 1092079891 /nfs/dbraw/zinc/07/98/91/1092079891.db2.gz GVCYXJXOEODEES-ZDUSSCGKSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1c(F)cccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001439361351 1092079901 /nfs/dbraw/zinc/07/99/01/1092079901.db2.gz GVCYXJXOEODEES-ZDUSSCGKSA-N 2 2 339.430 2.243 10 0 EEAELP Cc1cncc(C[N@H+]2CC[C@H]2CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001446130327 1092179265 /nfs/dbraw/zinc/17/92/65/1092179265.db2.gz QYRDYQBFDPQKNH-OALUTQOASA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cncc(C[N@@H+]2CC[C@H]2CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001446130327 1092179270 /nfs/dbraw/zinc/17/92/70/1092179270.db2.gz QYRDYQBFDPQKNH-OALUTQOASA-N 2 2 344.503 2.201 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001446132702 1092182398 /nfs/dbraw/zinc/18/23/98/1092182398.db2.gz ZSOWHOUHIRSUHU-JKSUJKDBSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001446132702 1092182400 /nfs/dbraw/zinc/18/24/00/1092182400.db2.gz ZSOWHOUHIRSUHU-JKSUJKDBSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001446132702 1092182402 /nfs/dbraw/zinc/18/24/02/1092182402.db2.gz ZSOWHOUHIRSUHU-JKSUJKDBSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001446132702 1092182407 /nfs/dbraw/zinc/18/24/07/1092182407.db2.gz ZSOWHOUHIRSUHU-JKSUJKDBSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)oc1C ZINC001446269494 1092416269 /nfs/dbraw/zinc/41/62/69/1092416269.db2.gz XUHRCFLOBASKMX-HOTGVXAUSA-N 2 2 348.491 2.150 10 0 EEAELP COCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001446351227 1092564430 /nfs/dbraw/zinc/56/44/30/1092564430.db2.gz LHLUTTDGTFJHOA-IEBWSBKVSA-N 2 2 348.491 2.041 10 0 EEAELP COCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001446351227 1092564440 /nfs/dbraw/zinc/56/44/40/1092564440.db2.gz LHLUTTDGTFJHOA-IEBWSBKVSA-N 2 2 348.491 2.041 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)C[NH+]3CCC(C)CC3)C2)c(C)o1 ZINC001439857361 1092882550 /nfs/dbraw/zinc/88/25/50/1092882550.db2.gz XHFLCGSTLICMAS-IBGZPJMESA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCC(C)CC3)C2)c(C)o1 ZINC001439857361 1092882557 /nfs/dbraw/zinc/88/25/57/1092882557.db2.gz XHFLCGSTLICMAS-IBGZPJMESA-N 2 2 348.491 2.104 10 0 EEAELP CC(C)c1cccc(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001439876076 1092921350 /nfs/dbraw/zinc/92/13/50/1092921350.db2.gz XJHMXPIVLVGIFJ-FQEVSTJZSA-N 2 2 344.503 2.381 10 0 EEAELP CC(C)c1cccc(C[N@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001439876076 1092921356 /nfs/dbraw/zinc/92/13/56/1092921356.db2.gz XJHMXPIVLVGIFJ-FQEVSTJZSA-N 2 2 344.503 2.381 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCC2CCCCC2)CCOCC1 ZINC001439973979 1093092350 /nfs/dbraw/zinc/09/23/50/1093092350.db2.gz WVWJYLCVSPOZOL-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP Cc1nsc(C)c1C[N@@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001440469911 1093695424 /nfs/dbraw/zinc/69/54/24/1093695424.db2.gz SQHLPSORFOJJHZ-UHFFFAOYSA-N 2 2 349.504 2.016 10 0 EEAELP Cc1nsc(C)c1C[N@H+](C)CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001440469911 1093695430 /nfs/dbraw/zinc/69/54/30/1093695430.db2.gz SQHLPSORFOJJHZ-UHFFFAOYSA-N 2 2 349.504 2.016 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC(C)(C)C1 ZINC001448687686 1093751205 /nfs/dbraw/zinc/75/12/05/1093751205.db2.gz WEOPVWRFYROIHA-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]Cc2cncc(F)c2)c[nH+]1 ZINC001440794442 1094036668 /nfs/dbraw/zinc/03/66/68/1094036668.db2.gz CTOHZBUTKZAUJX-UONOGXRCSA-N 2 2 347.438 2.144 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCc2ccnn2C)c(C)[nH+]1 ZINC001440815306 1094068685 /nfs/dbraw/zinc/06/86/85/1094068685.db2.gz RLWMXSBUGMHDOU-CABCVRRESA-N 2 2 343.475 2.079 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC001440852047 1094110937 /nfs/dbraw/zinc/11/09/37/1094110937.db2.gz OGKUXFGPSGCADZ-VXGBXAGGSA-N 2 2 338.814 2.359 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCCC3)C[C@H]21 ZINC001441313016 1094767861 /nfs/dbraw/zinc/76/78/61/1094767861.db2.gz LJSOSZLLNIAMLW-LDLYASANSA-N 2 2 344.503 2.227 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001441313016 1094767871 /nfs/dbraw/zinc/76/78/71/1094767871.db2.gz LJSOSZLLNIAMLW-LDLYASANSA-N 2 2 344.503 2.227 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001441735655 1095722290 /nfs/dbraw/zinc/72/22/90/1095722290.db2.gz RKPHWPQFJMXKHY-RQKJEUOYSA-N 2 2 336.867 2.293 10 0 EEAELP CC[C@H](F)C[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001441869412 1095981481 /nfs/dbraw/zinc/98/14/81/1095981481.db2.gz KSUMZZBQOAQBIH-HDMKZQKVSA-N 2 2 336.455 2.214 10 0 EEAELP CC[C@H](F)C[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001441869412 1095981488 /nfs/dbraw/zinc/98/14/88/1095981488.db2.gz KSUMZZBQOAQBIH-HDMKZQKVSA-N 2 2 336.455 2.214 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001441875273 1095995738 /nfs/dbraw/zinc/99/57/38/1095995738.db2.gz MTSAOLKKJFFWJW-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001441884622 1096014477 /nfs/dbraw/zinc/01/44/77/1096014477.db2.gz UCJPMFLPANBVEF-YQVWRLOYSA-N 2 2 348.491 2.372 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001441884622 1096014488 /nfs/dbraw/zinc/01/44/88/1096014488.db2.gz UCJPMFLPANBVEF-YQVWRLOYSA-N 2 2 348.491 2.372 10 0 EEAELP COC[C@@H](C)[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001441913288 1096088745 /nfs/dbraw/zinc/08/87/45/1096088745.db2.gz ASGNLYMTCIESMP-CJNGLKHVSA-N 2 2 344.459 2.118 10 0 EEAELP Cc1nocc1C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001443045519 1097455123 /nfs/dbraw/zinc/45/51/23/1097455123.db2.gz QKOJZTREZYEBKG-QAPCUYQASA-N 2 2 348.491 2.184 10 0 EEAELP Cc1nocc1C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001443045519 1097455129 /nfs/dbraw/zinc/45/51/29/1097455129.db2.gz QKOJZTREZYEBKG-QAPCUYQASA-N 2 2 348.491 2.184 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccns2)C1 ZINC001443191192 1097635983 /nfs/dbraw/zinc/63/59/83/1097635983.db2.gz UHKVJMLNXHBGKE-OAHLLOKOSA-N 2 2 336.505 2.052 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccns2)C1 ZINC001443191192 1097635986 /nfs/dbraw/zinc/63/59/86/1097635986.db2.gz UHKVJMLNXHBGKE-OAHLLOKOSA-N 2 2 336.505 2.052 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001443810846 1098305864 /nfs/dbraw/zinc/30/58/64/1098305864.db2.gz LOCVEXKSCONZOV-DLBZAZTESA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001443810846 1098305870 /nfs/dbraw/zinc/30/58/70/1098305870.db2.gz LOCVEXKSCONZOV-DLBZAZTESA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001443971513 1098489242 /nfs/dbraw/zinc/48/92/42/1098489242.db2.gz RXSRWQVIBZMHIC-CABCVRRESA-N 2 2 334.464 2.021 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001443971513 1098489248 /nfs/dbraw/zinc/48/92/48/1098489248.db2.gz RXSRWQVIBZMHIC-CABCVRRESA-N 2 2 334.464 2.021 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ncc(C)s2)[C@@H]1C ZINC001479724534 1098817245 /nfs/dbraw/zinc/81/72/45/1098817245.db2.gz OMMKLTSFKBTQMD-CABCVRRESA-N 2 2 338.521 2.262 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ncc(C)s2)[C@@H]1C ZINC001479724534 1098817261 /nfs/dbraw/zinc/81/72/61/1098817261.db2.gz OMMKLTSFKBTQMD-CABCVRRESA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ncc(C)s2)[C@@H]1C ZINC001479724534 1098817284 /nfs/dbraw/zinc/81/72/84/1098817284.db2.gz OMMKLTSFKBTQMD-CABCVRRESA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(C)s2)[C@@H]1C ZINC001479724534 1098817292 /nfs/dbraw/zinc/81/72/92/1098817292.db2.gz OMMKLTSFKBTQMD-CABCVRRESA-N 2 2 338.521 2.262 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC(F)(F)F ZINC001479738850 1098851176 /nfs/dbraw/zinc/85/11/76/1098851176.db2.gz LDOKRKSDBMXVQL-ZDUSSCGKSA-N 2 2 346.397 2.228 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC(F)(F)F ZINC001479738850 1098851179 /nfs/dbraw/zinc/85/11/79/1098851179.db2.gz LDOKRKSDBMXVQL-ZDUSSCGKSA-N 2 2 346.397 2.228 10 0 EEAELP C[N@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CC1CCCC1 ZINC001479771887 1098943627 /nfs/dbraw/zinc/94/36/27/1098943627.db2.gz QMUXHCAGOIWDJK-GOSISDBHSA-N 2 2 347.507 2.418 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CC1CCCC1 ZINC001479771887 1098943630 /nfs/dbraw/zinc/94/36/30/1098943630.db2.gz QMUXHCAGOIWDJK-GOSISDBHSA-N 2 2 347.507 2.418 10 0 EEAELP C[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)CC1CCCC1 ZINC001479771887 1098943639 /nfs/dbraw/zinc/94/36/39/1098943639.db2.gz QMUXHCAGOIWDJK-GOSISDBHSA-N 2 2 347.507 2.418 10 0 EEAELP C[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)CC1CCCC1 ZINC001479771887 1098943644 /nfs/dbraw/zinc/94/36/44/1098943644.db2.gz QMUXHCAGOIWDJK-GOSISDBHSA-N 2 2 347.507 2.418 10 0 EEAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCC(F)(F)C1 ZINC001479861784 1099177094 /nfs/dbraw/zinc/17/70/94/1099177094.db2.gz DLUSMDFHMIICNK-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCC(F)(F)C1 ZINC001479861784 1099177100 /nfs/dbraw/zinc/17/71/00/1099177100.db2.gz DLUSMDFHMIICNK-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP O=C(NCC1([NH2+]C[C@@H]2CCCCO2)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001444509655 1099250032 /nfs/dbraw/zinc/25/00/32/1099250032.db2.gz XXYQBYZPPIDQCP-ARFHVFGLSA-N 2 2 346.475 2.101 10 0 EEAELP O=C(NCC1([NH2+]C[C@@H]2CCCCO2)CCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001444509655 1099250040 /nfs/dbraw/zinc/25/00/40/1099250040.db2.gz XXYQBYZPPIDQCP-ARFHVFGLSA-N 2 2 346.475 2.101 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001480063845 1099592353 /nfs/dbraw/zinc/59/23/53/1099592353.db2.gz SYVZZLRANMPGOP-QGZVFWFLSA-N 2 2 330.476 2.325 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nc(C)c(C)o1)C1CC1 ZINC001480066329 1099598796 /nfs/dbraw/zinc/59/87/96/1099598796.db2.gz OOCZRXCLSVKNFK-IRXDYDNUSA-N 2 2 348.491 2.150 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nc(C)c(C)o1)C1CC1 ZINC001480066329 1099598806 /nfs/dbraw/zinc/59/88/06/1099598806.db2.gz OOCZRXCLSVKNFK-IRXDYDNUSA-N 2 2 348.491 2.150 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CCCF)C1 ZINC001480084332 1099635858 /nfs/dbraw/zinc/63/58/58/1099635858.db2.gz LAECGBSYOLEYPA-BZUAXINKSA-N 2 2 336.455 2.054 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CCCF)C1 ZINC001480084332 1099635865 /nfs/dbraw/zinc/63/58/65/1099635865.db2.gz LAECGBSYOLEYPA-BZUAXINKSA-N 2 2 336.455 2.054 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001480364143 1100138574 /nfs/dbraw/zinc/13/85/74/1100138574.db2.gz KVZRAIGKLMLYFR-QGZVFWFLSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC1CCC(F)(F)CC1 ZINC001480480127 1100287495 /nfs/dbraw/zinc/28/74/95/1100287495.db2.gz PALJSRCEIFLKPG-IACUBPJLSA-N 2 2 340.418 2.433 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1CCC(F)(F)CC1 ZINC001480480127 1100287501 /nfs/dbraw/zinc/28/75/01/1100287501.db2.gz PALJSRCEIFLKPG-IACUBPJLSA-N 2 2 340.418 2.433 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c[nH+]1 ZINC001480486190 1100295813 /nfs/dbraw/zinc/29/58/13/1100295813.db2.gz KICLOAHQUMSQTG-TZMCWYRMSA-N 2 2 342.434 2.456 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496278300 1100859727 /nfs/dbraw/zinc/85/97/27/1100859727.db2.gz HTWAXRDBRNWUGA-DLRQWSEHSA-N 2 2 338.883 2.319 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001496418773 1101012430 /nfs/dbraw/zinc/01/24/30/1101012430.db2.gz KHHDWUBJBPXDBD-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001446556734 1101032659 /nfs/dbraw/zinc/03/26/59/1101032659.db2.gz NTTOYRVHJAPTCW-FZKQIMNGSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001446556734 1101032666 /nfs/dbraw/zinc/03/26/66/1101032666.db2.gz NTTOYRVHJAPTCW-FZKQIMNGSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1oncc1C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001446597620 1101091233 /nfs/dbraw/zinc/09/12/33/1101091233.db2.gz VAJODMHDXSVYLE-KSSFIOAISA-N 2 2 345.447 2.159 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001495458895 1101171785 /nfs/dbraw/zinc/17/17/85/1101171785.db2.gz YGTCLCUEGCHVOM-ULQDDVLXSA-N 2 2 330.476 2.429 10 0 EEAELP COCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001495601843 1101311632 /nfs/dbraw/zinc/31/16/32/1101311632.db2.gz PNOTXCMIHHWHHO-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP COCCCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH]c[nH+]1)CC2 ZINC001495601843 1101311646 /nfs/dbraw/zinc/31/16/46/1101311646.db2.gz PNOTXCMIHHWHHO-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP COCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001495601843 1101311658 /nfs/dbraw/zinc/31/16/58/1101311658.db2.gz PNOTXCMIHHWHHO-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP COCCCC[N@H+]1CCC2(C1)CCN(C(=O)CCc1c[nH+]c[nH]1)CC2 ZINC001495601843 1101311672 /nfs/dbraw/zinc/31/16/72/1101311672.db2.gz PNOTXCMIHHWHHO-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001496095177 1102047969 /nfs/dbraw/zinc/04/79/69/1102047969.db2.gz UPIOPZGKWXWCSF-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496191680 1102195502 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2.330 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1conc1C ZINC001448037484 1103861662 /nfs/dbraw/zinc/86/16/62/1103861662.db2.gz MAEUXQITIPVUKJ-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]Cc2cncs2)CCCCC1 ZINC001448222959 1104208476 /nfs/dbraw/zinc/20/84/76/1104208476.db2.gz GSWQYIRSGOKVAK-UHFFFAOYSA-N 2 2 333.461 2.018 10 0 EEAELP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2c(F)cccc2Cl)C1 ZINC001448320387 1104385240 /nfs/dbraw/zinc/38/52/40/1104385240.db2.gz QDRUSNHFSKJCKC-LBPRGKRZSA-N 2 2 341.858 2.367 10 0 EEAELP Cc1ncccc1C[NH+]1CC([C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001448339454 1104425171 /nfs/dbraw/zinc/42/51/71/1104425171.db2.gz KBRFVUWKNOFCHW-ZBFHGGJFSA-N 2 2 341.459 2.174 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(C)cc1 ZINC001495011725 1104653710 /nfs/dbraw/zinc/65/37/10/1104653710.db2.gz KZGMHMONRBFIML-QZTJIDSGSA-N 2 2 340.471 2.439 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001480653512 1106824647 /nfs/dbraw/zinc/82/46/47/1106824647.db2.gz BUQXKVDKFFCUNZ-OAHLLOKOSA-N 2 2 346.500 2.095 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001498063106 1106868840 /nfs/dbraw/zinc/86/88/40/1106868840.db2.gz XUKYIZQCIWTPHM-WIVVLVHASA-N 2 2 338.455 2.253 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)c1nc2ccccc2o1 ZINC001498633391 1107850996 /nfs/dbraw/zinc/85/09/96/1107850996.db2.gz OSVBSIKCJFJNGN-ZDUSSCGKSA-N 2 2 341.415 2.293 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@H+](Cc1cc(C)ccc1F)C1CC1 ZINC001493390439 1108056866 /nfs/dbraw/zinc/05/68/66/1108056866.db2.gz MTYAYLDLQHMDEP-UHFFFAOYSA-N 2 2 344.434 2.420 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](Cc1cc(C)ccc1F)C1CC1 ZINC001493390439 1108056879 /nfs/dbraw/zinc/05/68/79/1108056879.db2.gz MTYAYLDLQHMDEP-UHFFFAOYSA-N 2 2 344.434 2.420 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCOCC1)n1cc[nH+]c1 ZINC001499000576 1108439428 /nfs/dbraw/zinc/43/94/28/1108439428.db2.gz QXSWCGFBUIZHCD-ZWKOTPCHSA-N 2 2 348.491 2.087 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@@H]1CC[N@H+]1CC1CCOCC1)n1cc[nH+]c1 ZINC001499000576 1108439432 /nfs/dbraw/zinc/43/94/32/1108439432.db2.gz QXSWCGFBUIZHCD-ZWKOTPCHSA-N 2 2 348.491 2.087 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC1CCC1 ZINC001493864327 1108756856 /nfs/dbraw/zinc/75/68/56/1108756856.db2.gz KZVMIQYWTOZIDJ-KRWDZBQOSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC1CCC1 ZINC001493864327 1108756860 /nfs/dbraw/zinc/75/68/60/1108756860.db2.gz KZVMIQYWTOZIDJ-KRWDZBQOSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(NCC[NH+]1CCSCC1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001465007040 1110409219 /nfs/dbraw/zinc/40/92/19/1110409219.db2.gz IDIRWCFFOALOEG-IYBDPMFKSA-N 2 2 348.516 2.217 10 0 EEAELP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001479244236 1110666597 /nfs/dbraw/zinc/66/65/97/1110666597.db2.gz HXSZTRXDZPEGKR-ZWKOTPCHSA-N 2 2 332.492 2.235 10 0 EEAELP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccn1)[NH+](CC)CC 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UERSQHLWWZLCTB-UHFFFAOYSA-N 2 2 336.455 2.337 10 0 EEAELP CC1CC(C[N@@H+]2CCC(F)(F)[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001500616942 1112980091 /nfs/dbraw/zinc/98/00/91/1112980091.db2.gz MQBMHTRSKJMDGS-RUXDESIVSA-N 2 2 340.418 2.072 10 0 EEAELP CC1CC(C[N@H+]2CCC(F)(F)[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001500616942 1112980093 /nfs/dbraw/zinc/98/00/93/1112980093.db2.gz MQBMHTRSKJMDGS-RUXDESIVSA-N 2 2 340.418 2.072 10 0 EEAELP CC/C(C)=C\C(=O)NCC[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC001501257799 1113266005 /nfs/dbraw/zinc/26/60/05/1113266005.db2.gz DRADIURHHGISON-WBYGGXTKSA-N 2 2 337.508 2.082 10 0 EEAELP CC[C@H](F)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001501407322 1113348440 /nfs/dbraw/zinc/34/84/40/1113348440.db2.gz AXAOMGOFFQQCDP-GVDBMIGSSA-N 2 2 336.455 2.477 10 0 EEAELP CC[C@H](F)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001501407322 1113348443 /nfs/dbraw/zinc/34/84/43/1113348443.db2.gz AXAOMGOFFQQCDP-GVDBMIGSSA-N 2 2 336.455 2.477 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C2(CNC(=O)Cc3c[nH+]cn3C)CCC2)c1 ZINC001502017427 1113560826 /nfs/dbraw/zinc/56/08/26/1113560826.db2.gz JPQGYOATPZHEAJ-UHFFFAOYSA-N 2 2 344.434 2.239 10 0 EEAELP CCc1ccc(CC[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001506683820 1114801083 /nfs/dbraw/zinc/80/10/83/1114801083.db2.gz VXMYSOLLLUOPOW-INIZCTEOSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)C2)o1 ZINC001506748149 1114862015 /nfs/dbraw/zinc/86/20/15/1114862015.db2.gz JEVXWRZYBAFHIN-LSDHHAIUSA-N 2 2 348.491 2.212 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)C2)o1 ZINC001506748149 1114862018 /nfs/dbraw/zinc/86/20/18/1114862018.db2.gz JEVXWRZYBAFHIN-LSDHHAIUSA-N 2 2 348.491 2.212 10 0 EEAELP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001506959553 1115006758 /nfs/dbraw/zinc/00/67/58/1115006758.db2.gz GMGMMVBABRBNNR-CABCVRRESA-N 2 2 336.455 2.116 10 0 EEAELP CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001506959553 1115006762 /nfs/dbraw/zinc/00/67/62/1115006762.db2.gz GMGMMVBABRBNNR-CABCVRRESA-N 2 2 336.455 2.116 10 0 EEAELP Cc1conc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001507027571 1115065420 /nfs/dbraw/zinc/06/54/20/1115065420.db2.gz QUMQXGFHNVXYDX-PBHICJAKSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CCc2[nH+]ccn2C)c(C)n1 ZINC001507109178 1115113201 /nfs/dbraw/zinc/11/32/01/1115113201.db2.gz VEGXXWMKMVQUOP-OAHLLOKOSA-N 2 2 343.475 2.001 10 0 EEAELP CCc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001507130368 1115124298 /nfs/dbraw/zinc/12/42/98/1115124298.db2.gz UEJURSNWTFWHIW-ZIAGYGMSSA-N 2 2 347.463 2.330 10 0 EEAELP COCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001507315462 1115188174 /nfs/dbraw/zinc/18/81/74/1115188174.db2.gz HGZZQRGRGNYGBP-HZPDHXFCSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507321143 1115191135 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340.471 2.125 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001568545100 1124604868 /nfs/dbraw/zinc/60/48/68/1124604868.db2.gz LNWCISVZUZAXLU-SJLPKXTDSA-N 2 2 344.434 2.139 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]Cc1c(F)cccc1F ZINC001568703753 1124720149 /nfs/dbraw/zinc/72/01/49/1124720149.db2.gz UPGLWOBHPUWGHF-LLVKDONJSA-N 2 2 336.386 2.223 10 0 EEAELP CCN(CC[NH2+]CC[C@H]1CCCC1(F)F)C(=O)Cn1cc[nH+]c1 ZINC001568802207 1124818035 /nfs/dbraw/zinc/81/80/35/1124818035.db2.gz YHBMJVORGAUXIH-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001569058149 1125071355 /nfs/dbraw/zinc/07/13/55/1125071355.db2.gz RUHTXXPUYLMMLZ-BBRMVZONSA-N 2 2 335.496 2.321 10 0 EEAELP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001569058149 1125071362 /nfs/dbraw/zinc/07/13/62/1125071362.db2.gz RUHTXXPUYLMMLZ-BBRMVZONSA-N 2 2 335.496 2.321 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000173954749 529405272 /nfs/dbraw/zinc/40/52/72/529405272.db2.gz KPFJEKCZUVUOFA-HZPDHXFCSA-N 2 2 331.464 2.152 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000173954749 529405274 /nfs/dbraw/zinc/40/52/74/529405274.db2.gz KPFJEKCZUVUOFA-HZPDHXFCSA-N 2 2 331.464 2.152 10 0 EEAELP CCC(CC)[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000343714486 282256389 /nfs/dbraw/zinc/25/63/89/282256389.db2.gz VRRYHRRELJMKMX-ZWKOTPCHSA-N 2 2 341.540 2.216 10 0 EEAELP C[NH+](C)[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccsc1 ZINC000072276076 202360589 /nfs/dbraw/zinc/36/05/89/202360589.db2.gz QNBCTJSVKVMIOA-HUUCEWRRSA-N 2 2 347.488 2.214 10 0 EEAELP Clc1cccc(N2CC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422832357 240252345 /nfs/dbraw/zinc/25/23/45/240252345.db2.gz FWLCYKAXVIGECM-CGTJXYLNSA-N 2 2 335.879 2.275 10 0 EEAELP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422882056 240273215 /nfs/dbraw/zinc/27/32/15/240273215.db2.gz OWIOHMCHMJICSV-MJGOQNOKSA-N 2 2 331.460 2.282 10 0 EEAELP c1cc(OC2CCCC2)ncc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422971738 240314219 /nfs/dbraw/zinc/31/42/19/240314219.db2.gz JSOYZZJGIPUIHG-MJGOQNOKSA-N 2 2 331.460 2.260 10 0 EEAELP CS[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000445807626 242134032 /nfs/dbraw/zinc/13/40/32/242134032.db2.gz LCUFFANUVRXKNL-ROUUACIJSA-N 2 2 330.501 2.409 10 0 EEAELP Cc1[nH+]cc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)n1-c1ccccc1 ZINC000245740650 243151988 /nfs/dbraw/zinc/15/19/88/243151988.db2.gz LSXLWDLRVIMUAU-CVEARBPZSA-N 2 2 328.460 2.068 10 0 EEAELP Cc1[nH+]cc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)n1-c1ccccc1 ZINC000245740650 243151993 /nfs/dbraw/zinc/15/19/93/243151993.db2.gz LSXLWDLRVIMUAU-CVEARBPZSA-N 2 2 328.460 2.068 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000236928487 204122632 /nfs/dbraw/zinc/12/26/32/204122632.db2.gz DOIJYCFUTRNXFB-LRDDRELGSA-N 2 2 325.403 2.173 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000236928487 204122635 /nfs/dbraw/zinc/12/26/35/204122635.db2.gz DOIJYCFUTRNXFB-LRDDRELGSA-N 2 2 325.403 2.173 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105104090 204134239 /nfs/dbraw/zinc/13/42/39/204134239.db2.gz UUROZOHFFIKRTG-KRWDZBQOSA-N 2 2 343.475 2.062 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105104090 204134243 /nfs/dbraw/zinc/13/42/43/204134243.db2.gz UUROZOHFFIKRTG-KRWDZBQOSA-N 2 2 343.475 2.062 10 0 EEAELP [NH3+]C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000044530150 204301250 /nfs/dbraw/zinc/30/12/50/204301250.db2.gz MVQUDSQWQCBCCR-VIFPVBQESA-N 2 2 341.209 2.263 10 0 EEAELP [NH3+]C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000044530150 204301253 /nfs/dbraw/zinc/30/12/53/204301253.db2.gz MVQUDSQWQCBCCR-VIFPVBQESA-N 2 2 341.209 2.263 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000175728812 207153757 /nfs/dbraw/zinc/15/37/57/207153757.db2.gz COYMNIXMQRUHIJ-VQIMIIECSA-N 2 2 329.488 2.233 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000175728812 207153762 /nfs/dbraw/zinc/15/37/62/207153762.db2.gz COYMNIXMQRUHIJ-VQIMIIECSA-N 2 2 329.488 2.233 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000175728812 207153767 /nfs/dbraw/zinc/15/37/67/207153767.db2.gz COYMNIXMQRUHIJ-VQIMIIECSA-N 2 2 329.488 2.233 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000175728812 207153770 /nfs/dbraw/zinc/15/37/70/207153770.db2.gz COYMNIXMQRUHIJ-VQIMIIECSA-N 2 2 329.488 2.233 10 0 EEAELP Brc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422770469 532964778 /nfs/dbraw/zinc/96/47/78/532964778.db2.gz WVTOZZVACHZYOE-HUUCEWRRSA-N 2 2 325.250 2.306 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000361326341 285037611 /nfs/dbraw/zinc/03/76/11/285037611.db2.gz XVTJMJJVIXTBBK-HNNXBMFYSA-N 2 2 337.430 2.104 10 0 EEAELP COCC[N@H+]1CCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000361326341 285037613 /nfs/dbraw/zinc/03/76/13/285037613.db2.gz XVTJMJJVIXTBBK-HNNXBMFYSA-N 2 2 337.430 2.104 10 0 EEAELP NC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000119666694 221371203 /nfs/dbraw/zinc/37/12/03/221371203.db2.gz SIGXULAEHPRIJQ-GOSISDBHSA-N 2 2 330.476 2.174 10 0 EEAELP NC(=O)N1CCC([NH2+]C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000119666694 221371207 /nfs/dbraw/zinc/37/12/07/221371207.db2.gz SIGXULAEHPRIJQ-GOSISDBHSA-N 2 2 330.476 2.174 10 0 EEAELP Cc1noc(CCC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1 ZINC000328630404 258029150 /nfs/dbraw/zinc/02/91/50/258029150.db2.gz JIWZELKSHXUWHV-MAUKXSAKSA-N 2 2 346.479 2.059 10 0 EEAELP Cc1noc(CCC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)n1 ZINC000328630404 258029152 /nfs/dbraw/zinc/02/91/52/258029152.db2.gz JIWZELKSHXUWHV-MAUKXSAKSA-N 2 2 346.479 2.059 10 0 EEAELP Cc1noc(CCC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000328630404 258029153 /nfs/dbraw/zinc/02/91/53/258029153.db2.gz JIWZELKSHXUWHV-MAUKXSAKSA-N 2 2 346.479 2.059 10 0 EEAELP Cc1noc(CCC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)n1 ZINC000328630404 258029154 /nfs/dbraw/zinc/02/91/54/258029154.db2.gz JIWZELKSHXUWHV-MAUKXSAKSA-N 2 2 346.479 2.059 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[N@H+](CC)C2)c[nH+]1 ZINC000057821157 292147334 /nfs/dbraw/zinc/14/73/34/292147334.db2.gz VZLLDXHTRFRDOP-MRXNPFEDSA-N 2 2 333.480 2.211 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](CC)C2)c[nH+]1 ZINC000057821157 292147336 /nfs/dbraw/zinc/14/73/36/292147336.db2.gz VZLLDXHTRFRDOP-MRXNPFEDSA-N 2 2 333.480 2.211 10 0 EEAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000453269841 286238044 /nfs/dbraw/zinc/23/80/44/286238044.db2.gz RWOQAQWQPSWMDH-RHSMWYFYSA-N 2 2 349.475 2.151 10 0 EEAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000453269841 286238045 /nfs/dbraw/zinc/23/80/45/286238045.db2.gz RWOQAQWQPSWMDH-RHSMWYFYSA-N 2 2 349.475 2.151 10 0 EEAELP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263067991 152368934 /nfs/dbraw/zinc/36/89/34/152368934.db2.gz WEFPNPUSQOWKQF-MRXNPFEDSA-N 2 2 337.414 2.073 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000356011175 153242210 /nfs/dbraw/zinc/24/22/10/153242210.db2.gz LWVDOYLCTCRWNT-QGZVFWFLSA-N 2 2 348.397 2.176 10 0 EEAELP COC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374200818 154001473 /nfs/dbraw/zinc/00/14/73/154001473.db2.gz RRVZEEXDZNSBOY-UHFFFAOYSA-N 2 2 342.399 2.014 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207622 154004211 /nfs/dbraw/zinc/00/42/11/154004211.db2.gz JOLBEJWUXSUKFH-UHFFFAOYSA-N 2 2 330.407 2.387 10 0 EEAELP Cc1ccccc1-n1cc(C[NH2+]Cc2cccnc2-n2cc[nH+]c2)nn1 ZINC000377340319 154149649 /nfs/dbraw/zinc/14/96/49/154149649.db2.gz UAIFOTJBXXEIGB-UHFFFAOYSA-N 2 2 345.410 2.446 10 0 EEAELP COCCN(C)c1ccc(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000248811989 160361889 /nfs/dbraw/zinc/36/18/89/160361889.db2.gz CTJNFUYLXNYUSC-SJLPKXTDSA-N 2 2 343.475 2.444 10 0 EEAELP COCCN(C)c1ccc(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000248811989 160361891 /nfs/dbraw/zinc/36/18/91/160361891.db2.gz CTJNFUYLXNYUSC-SJLPKXTDSA-N 2 2 343.475 2.444 10 0 EEAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000132216603 292398659 /nfs/dbraw/zinc/39/86/59/292398659.db2.gz PNORUBMCARKEMH-KRWDZBQOSA-N 2 2 336.439 2.166 10 0 EEAELP C[NH+]1CCC(CNC(=O)N2C[C@@H]3[C@H](C2)C3(C)C)([NH+]2CCCCC2)CC1 ZINC000074767914 159070062 /nfs/dbraw/zinc/07/00/62/159070062.db2.gz ULKTZQOUOGSWTB-CALCHBBNSA-N 2 2 348.535 2.234 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000120174945 159388133 /nfs/dbraw/zinc/38/81/33/159388133.db2.gz XYYNBNPJPLKDDP-OAHLLOKOSA-N 2 2 327.494 2.296 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCS(=O)(=O)C(C)C)C1 ZINC000120174945 159388136 /nfs/dbraw/zinc/38/81/36/159388136.db2.gz XYYNBNPJPLKDDP-OAHLLOKOSA-N 2 2 327.494 2.296 10 0 EEAELP C[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)C(C)(C)C[NH+](C)C ZINC000186533480 160074468 /nfs/dbraw/zinc/07/44/68/160074468.db2.gz BMZKPVYPFAGGDV-INIZCTEOSA-N 2 2 347.507 2.280 10 0 EEAELP CCO[C@@H]1C[C@@](CO)([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000188903350 160132109 /nfs/dbraw/zinc/13/21/09/160132109.db2.gz SOOOOFKORSMYFY-QUCCMNQESA-N 2 2 347.503 2.202 10 0 EEAELP CCO[C@@H]1C[C@](O)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000189431564 160141632 /nfs/dbraw/zinc/14/16/32/160141632.db2.gz AFCCTLWRUJZRRN-QUCCMNQESA-N 2 2 347.503 2.202 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610756 160183945 /nfs/dbraw/zinc/18/39/45/160183945.db2.gz NSGYNCLDTHLRJH-NXNVCVFFSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610756 160183946 /nfs/dbraw/zinc/18/39/46/160183946.db2.gz NSGYNCLDTHLRJH-NXNVCVFFSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610756 160183947 /nfs/dbraw/zinc/18/39/47/160183947.db2.gz NSGYNCLDTHLRJH-NXNVCVFFSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610756 160183948 /nfs/dbraw/zinc/18/39/48/160183948.db2.gz NSGYNCLDTHLRJH-NXNVCVFFSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000342861840 161096233 /nfs/dbraw/zinc/09/62/33/161096233.db2.gz OELFQLXEVNPBKO-HOCLYGCPSA-N 2 2 332.444 2.003 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000342861840 161096234 /nfs/dbraw/zinc/09/62/34/161096234.db2.gz OELFQLXEVNPBKO-HOCLYGCPSA-N 2 2 332.444 2.003 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000364272673 165076655 /nfs/dbraw/zinc/07/66/55/165076655.db2.gz KVNWZPRFHIHGOS-UHFFFAOYSA-N 2 2 344.463 2.114 10 0 EEAELP C[NH+]1CCC(CNC(=O)CC[C@@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000369650878 166304832 /nfs/dbraw/zinc/30/48/32/166304832.db2.gz VNOJTDBRAJPDCS-KRWDZBQOSA-N 2 2 337.508 2.012 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)CC2 ZINC000369925541 166358055 /nfs/dbraw/zinc/35/80/55/166358055.db2.gz WRZIRVLYEAPOSX-MRXNPFEDSA-N 2 2 333.480 2.371 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CC2 ZINC000369925541 166358058 /nfs/dbraw/zinc/35/80/58/166358058.db2.gz WRZIRVLYEAPOSX-MRXNPFEDSA-N 2 2 333.480 2.371 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271310356 274122728 /nfs/dbraw/zinc/12/27/28/274122728.db2.gz LQDHUMTVXVFADE-UHFFFAOYSA-N 2 2 349.438 2.471 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292045453 275367291 /nfs/dbraw/zinc/36/72/91/275367291.db2.gz AZTHLAVMFIPCTK-FXAWDEMLSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292045453 275367294 /nfs/dbraw/zinc/36/72/94/275367294.db2.gz 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Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292053744 275368617 /nfs/dbraw/zinc/36/86/17/275368617.db2.gz BTJPSINDIPRPLZ-PXNSSMCTSA-N 2 2 329.488 2.370 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H]1c1ccccc1 ZINC000368066505 277170678 /nfs/dbraw/zinc/17/06/78/277170678.db2.gz XWXZOJGAKXYXBD-UONOGXRCSA-N 2 2 329.366 2.090 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H]1c1ccccc1 ZINC000368066505 277170679 /nfs/dbraw/zinc/17/06/79/277170679.db2.gz XWXZOJGAKXYXBD-UONOGXRCSA-N 2 2 329.366 2.090 10 0 EEAELP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000342806217 277254601 /nfs/dbraw/zinc/25/46/01/277254601.db2.gz OISZMIYPTGGAFS-GUDVDZBRSA-N 2 2 334.504 2.399 10 0 EEAELP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000342806217 277254602 /nfs/dbraw/zinc/25/46/02/277254602.db2.gz OISZMIYPTGGAFS-GUDVDZBRSA-N 2 2 334.504 2.399 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]c(C)n3-c3ccccc3)[C@H]2C1 ZINC000293665844 293264595 /nfs/dbraw/zinc/26/45/95/293264595.db2.gz OGXAFESPPCRHFR-VQTJNVASSA-N 2 2 340.471 2.476 10 0 EEAELP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]c(C)n3-c3ccccc3)[C@H]2C1 ZINC000293665844 293264597 /nfs/dbraw/zinc/26/45/97/293264597.db2.gz OGXAFESPPCRHFR-VQTJNVASSA-N 2 2 340.471 2.476 10 0 EEAELP Cc1nc2[nH]ccc2c(N2CCC(OCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000433779383 314794665 /nfs/dbraw/zinc/79/46/65/314794665.db2.gz JMAMLNYUFPBARY-UHFFFAOYSA-N 2 2 329.448 2.348 10 0 EEAELP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000519855350 316835770 /nfs/dbraw/zinc/83/57/70/316835770.db2.gz FDSIXOYVTASLCY-XIRDDKMYSA-N 2 2 330.476 2.493 10 0 EEAELP O=S1(=O)CCC(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000534336529 317942589 /nfs/dbraw/zinc/94/25/89/317942589.db2.gz BAOVKWOMYNHXEH-UHFFFAOYSA-N 2 2 333.457 2.177 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC4(C3)CCOCC4)c2cc1C ZINC000546756394 318266560 /nfs/dbraw/zinc/26/65/60/318266560.db2.gz ULTXTVZKWQIJIL-INIZCTEOSA-N 2 2 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ZINC000566215844 319260950 /nfs/dbraw/zinc/26/09/50/319260950.db2.gz XSWPXJGPLUADHR-VQTJNVASSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CCN(C)[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215844 319260951 /nfs/dbraw/zinc/26/09/51/319260951.db2.gz XSWPXJGPLUADHR-VQTJNVASSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CCN(C)[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215844 319260953 /nfs/dbraw/zinc/26/09/53/319260953.db2.gz XSWPXJGPLUADHR-VQTJNVASSA-N 2 2 342.531 2.019 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183032915 323395895 /nfs/dbraw/zinc/39/58/95/323395895.db2.gz SPQHMUJJTPSWAQ-RDJZCZTQSA-N 2 2 339.842 2.483 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000183032915 323395900 /nfs/dbraw/zinc/39/59/00/323395900.db2.gz SPQHMUJJTPSWAQ-RDJZCZTQSA-N 2 2 339.842 2.483 10 0 EEAELP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000580309140 324035520 /nfs/dbraw/zinc/03/55/20/324035520.db2.gz JBBKMERMQPZVPM-QGZVFWFLSA-N 2 2 335.411 2.102 10 0 EEAELP C[NH2+]C[C@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000582109766 324381447 /nfs/dbraw/zinc/38/14/47/324381447.db2.gz XOMOWUKAUAEPIK-CQSZACIVSA-N 2 2 337.493 2.345 10 0 EEAELP OCCNc1nc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)[nH+]c2ccccc21 ZINC000538088377 448576838 /nfs/dbraw/zinc/57/68/38/448576838.db2.gz NZYGZCHTWGUSGW-ZDUSSCGKSA-N 2 2 338.415 2.141 10 0 EEAELP CCOC(=O)CCc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)nc(C)[nH+]1 ZINC000601139481 449711204 /nfs/dbraw/zinc/71/12/04/449711204.db2.gz IJKIHLOXJICCAF-CYBMUJFWSA-N 2 2 332.448 2.343 10 0 EEAELP CCOC(=O)CCc1cc(N[C@H](C)C2=CC[N@@H+](C)CC2)nc(C)[nH+]1 ZINC000601139481 449711205 /nfs/dbraw/zinc/71/12/05/449711205.db2.gz IJKIHLOXJICCAF-CYBMUJFWSA-N 2 2 332.448 2.343 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351612804 465250546 /nfs/dbraw/zinc/25/05/46/465250546.db2.gz YCDYZVNZIAHEBW-LIRRHRJNSA-N 3 2 328.460 2.286 10 0 EEAELP 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462752019 /nfs/dbraw/zinc/75/20/19/462752019.db2.gz LXHOZNUHPZABLY-AWEZNQCLSA-N 2 2 340.349 2.365 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)cc[nH+]1 ZINC000093562895 463040900 /nfs/dbraw/zinc/04/09/00/463040900.db2.gz LCKQBNGPIWPEAR-UHFFFAOYSA-N 2 2 336.443 2.346 10 0 EEAELP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000156634536 463050979 /nfs/dbraw/zinc/05/09/79/463050979.db2.gz LZZJVHINZDZOEZ-KRWDZBQOSA-N 2 2 345.491 2.032 10 0 EEAELP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000156634536 463050985 /nfs/dbraw/zinc/05/09/85/463050985.db2.gz LZZJVHINZDZOEZ-KRWDZBQOSA-N 2 2 345.491 2.032 10 0 EEAELP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121229017 463101367 /nfs/dbraw/zinc/10/13/67/463101367.db2.gz SOICAKYCAHIDSM-UHFFFAOYSA-N 2 2 328.460 2.488 10 0 EEAELP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121229017 463101373 /nfs/dbraw/zinc/10/13/73/463101373.db2.gz SOICAKYCAHIDSM-UHFFFAOYSA-N 2 2 328.460 2.488 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000157219279 463109129 /nfs/dbraw/zinc/10/91/29/463109129.db2.gz VDYHHMAFNYAUSZ-OTWHNJEPSA-N 2 2 349.519 2.107 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000157219279 463109134 /nfs/dbraw/zinc/10/91/34/463109134.db2.gz VDYHHMAFNYAUSZ-OTWHNJEPSA-N 2 2 349.519 2.107 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000158570395 463241402 /nfs/dbraw/zinc/24/14/02/463241402.db2.gz GAKDHARDKRJBIC-YXJHDRRASA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000158570395 463241405 /nfs/dbraw/zinc/24/14/05/463241405.db2.gz GAKDHARDKRJBIC-YXJHDRRASA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000158570395 463241409 /nfs/dbraw/zinc/24/14/09/463241409.db2.gz GAKDHARDKRJBIC-YXJHDRRASA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000158570395 463241414 /nfs/dbraw/zinc/24/14/14/463241414.db2.gz GAKDHARDKRJBIC-YXJHDRRASA-N 2 2 333.451 2.419 10 0 EEAELP CCN(CCO)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579352720 468346899 /nfs/dbraw/zinc/34/68/99/468346899.db2.gz JARQNACTOLCASO-IBGZPJMESA-N 2 2 331.504 2.087 10 0 EEAELP CCN(CCO)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579352720 468346903 /nfs/dbraw/zinc/34/69/03/468346903.db2.gz JARQNACTOLCASO-IBGZPJMESA-N 2 2 331.504 2.087 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000081256973 463409961 /nfs/dbraw/zinc/40/99/61/463409961.db2.gz ZQPODHCTPHTFJM-AEFFLSMTSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000081256973 463409963 /nfs/dbraw/zinc/40/99/63/463409963.db2.gz ZQPODHCTPHTFJM-AEFFLSMTSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000081256973 463409967 /nfs/dbraw/zinc/40/99/67/463409967.db2.gz ZQPODHCTPHTFJM-AEFFLSMTSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000081256973 463409971 /nfs/dbraw/zinc/40/99/71/463409971.db2.gz ZQPODHCTPHTFJM-AEFFLSMTSA-N 2 2 330.476 2.037 10 0 EEAELP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000072274100 463492532 /nfs/dbraw/zinc/49/25/32/463492532.db2.gz YNWSMZYHQSCXNK-FUHWJXTLSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151248569 463500908 /nfs/dbraw/zinc/50/09/08/463500908.db2.gz VMLMGPTVIOIEMP-HKUYNNGSSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151311986 463511927 /nfs/dbraw/zinc/51/19/27/463511927.db2.gz SXYGBPBNLODICE-APWZRJJASA-N 3 2 328.460 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000151311986 463511933 /nfs/dbraw/zinc/51/19/33/463511933.db2.gz SXYGBPBNLODICE-APWZRJJASA-N 2 2 328.460 2.370 10 0 EEAELP FC(F)(F)CN1CCC([NH2+]Cc2cccnc2-n2cc[nH+]c2)CC1 ZINC000151486682 463538745 /nfs/dbraw/zinc/53/87/45/463538745.db2.gz LSTJIGZDJMTYSL-UHFFFAOYSA-N 2 2 339.365 2.384 10 0 EEAELP COc1c(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)c(C)nn1C ZINC000058391851 463589661 /nfs/dbraw/zinc/58/96/61/463589661.db2.gz NFTCGYBIOCLUML-UHFFFAOYSA-N 2 2 325.416 2.272 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642030 463723671 /nfs/dbraw/zinc/72/36/71/463723671.db2.gz GPWINVHGJQWJPW-JONQDZQNSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642030 463723679 /nfs/dbraw/zinc/72/36/79/463723679.db2.gz GPWINVHGJQWJPW-JONQDZQNSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193642030 463723681 /nfs/dbraw/zinc/72/36/81/463723681.db2.gz GPWINVHGJQWJPW-JONQDZQNSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193642030 463723686 /nfs/dbraw/zinc/72/36/86/463723686.db2.gz GPWINVHGJQWJPW-JONQDZQNSA-N 2 2 333.501 2.294 10 0 EEAELP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000261861004 463881205 /nfs/dbraw/zinc/88/12/05/463881205.db2.gz CBRBXWKMXYSQFY-RDGPPVDQSA-N 2 2 347.503 2.472 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)N2CCCC2)o1 ZINC000261861004 463881208 /nfs/dbraw/zinc/88/12/08/463881208.db2.gz CBRBXWKMXYSQFY-RDGPPVDQSA-N 2 2 347.503 2.472 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178754204 463964384 /nfs/dbraw/zinc/96/43/84/463964384.db2.gz YHLHCQUUZGYETO-HNNXBMFYSA-N 2 2 328.416 2.303 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178754204 463964390 /nfs/dbraw/zinc/96/43/90/463964390.db2.gz YHLHCQUUZGYETO-HNNXBMFYSA-N 2 2 328.416 2.303 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000186341125 463978900 /nfs/dbraw/zinc/97/89/00/463978900.db2.gz FXVNWLXWXUQYKF-INIZCTEOSA-N 2 2 328.416 2.308 10 0 EEAELP CC(C)N(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000195273375 464028426 /nfs/dbraw/zinc/02/84/26/464028426.db2.gz WUVKFDCQDUAJTC-LJQANCHMSA-N 2 2 346.519 2.481 10 0 EEAELP CC(C)N(C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C(C)C ZINC000195273375 464028430 /nfs/dbraw/zinc/02/84/30/464028430.db2.gz WUVKFDCQDUAJTC-LJQANCHMSA-N 2 2 346.519 2.481 10 0 EEAELP CC(C)N(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C(C)C ZINC000195273375 464028439 /nfs/dbraw/zinc/02/84/39/464028439.db2.gz WUVKFDCQDUAJTC-LJQANCHMSA-N 2 2 346.519 2.481 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243416 464170745 /nfs/dbraw/zinc/17/07/45/464170745.db2.gz WXMZLMCKEGJKBV-PKOBYXMFSA-N 2 2 331.435 2.349 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243416 464170753 /nfs/dbraw/zinc/17/07/53/464170753.db2.gz WXMZLMCKEGJKBV-PKOBYXMFSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243416 464170761 /nfs/dbraw/zinc/17/07/61/464170761.db2.gz WXMZLMCKEGJKBV-PKOBYXMFSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243416 464170767 /nfs/dbraw/zinc/17/07/67/464170767.db2.gz WXMZLMCKEGJKBV-PKOBYXMFSA-N 2 2 331.435 2.349 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)[C@@H]1c1ccccc1 ZINC000180100369 464241766 /nfs/dbraw/zinc/24/17/66/464241766.db2.gz PEXVARDWQNILLW-PXNSSMCTSA-N 2 2 334.423 2.438 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)[C@@H]1c1ccccc1 ZINC000180100369 464241771 /nfs/dbraw/zinc/24/17/71/464241771.db2.gz PEXVARDWQNILLW-PXNSSMCTSA-N 2 2 334.423 2.438 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1O ZINC000180169111 464257714 /nfs/dbraw/zinc/25/77/14/464257714.db2.gz DCTDYTLBSSSDLX-ROUUACIJSA-N 2 2 342.439 2.126 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1O ZINC000180169111 464257719 /nfs/dbraw/zinc/25/77/19/464257719.db2.gz DCTDYTLBSSSDLX-ROUUACIJSA-N 2 2 342.439 2.126 10 0 EEAELP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)s1 ZINC000181388925 464482670 /nfs/dbraw/zinc/48/26/70/464482670.db2.gz SVBJZSSXVSKKCI-ZFWWWQNUSA-N 2 2 341.521 2.138 10 0 EEAELP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439834 464610278 /nfs/dbraw/zinc/61/02/78/464610278.db2.gz SRNXVEFGEONHIV-PLACYPQZSA-N 3 2 343.515 2.228 10 0 EEAELP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439834 464610285 /nfs/dbraw/zinc/61/02/85/464610285.db2.gz SRNXVEFGEONHIV-PLACYPQZSA-N 3 2 343.515 2.228 10 0 EEAELP Cc1ccc2nc(C[N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)cn2c1 ZINC000182906652 464755074 /nfs/dbraw/zinc/75/50/74/464755074.db2.gz YLQVNQDGGSGBCZ-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP Cc1ccc2nc(C[N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)cn2c1 ZINC000182906652 464755079 /nfs/dbraw/zinc/75/50/79/464755079.db2.gz YLQVNQDGGSGBCZ-IBGZPJMESA-N 2 2 341.503 2.245 10 0 EEAELP C[C@H]([NH2+]Cc1cc(C(N)=O)co1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348186998 465480128 /nfs/dbraw/zinc/48/01/28/465480128.db2.gz NSTLMPWEHJCBAJ-GOEBONIOSA-N 2 2 327.428 2.379 10 0 EEAELP C[C@H]([NH2+]Cc1cc(C(N)=O)co1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348186998 465480131 /nfs/dbraw/zinc/48/01/31/465480131.db2.gz NSTLMPWEHJCBAJ-GOEBONIOSA-N 2 2 327.428 2.379 10 0 EEAELP CCC(CC)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000177004348 464904266 /nfs/dbraw/zinc/90/42/66/464904266.db2.gz JKMVDYVWVBZZPT-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000177004348 464904271 /nfs/dbraw/zinc/90/42/71/464904271.db2.gz JKMVDYVWVBZZPT-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000177406866 465007497 /nfs/dbraw/zinc/00/74/97/465007497.db2.gz SNMYMUFSZCQDFG-KRWDZBQOSA-N 2 2 345.491 2.176 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000177406866 465007502 /nfs/dbraw/zinc/00/75/02/465007502.db2.gz SNMYMUFSZCQDFG-KRWDZBQOSA-N 2 2 345.491 2.176 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@H]2CCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000347933177 465318103 /nfs/dbraw/zinc/31/81/03/465318103.db2.gz XDSYVTOGNSJLOJ-INIZCTEOSA-N 2 2 336.524 2.425 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000342861838 465361148 /nfs/dbraw/zinc/36/11/48/465361148.db2.gz OELFQLXEVNPBKO-GDBMZVCRSA-N 2 2 332.444 2.003 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000342861838 465361153 /nfs/dbraw/zinc/36/11/53/465361153.db2.gz OELFQLXEVNPBKO-GDBMZVCRSA-N 2 2 332.444 2.003 10 0 EEAELP COc1ccc2occ(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)c2c1 ZINC000337640082 465488353 /nfs/dbraw/zinc/48/83/53/465488353.db2.gz FEUUMNUQTHKVJT-UHFFFAOYSA-N 2 2 345.443 2.197 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361138186 465791851 /nfs/dbraw/zinc/79/18/51/465791851.db2.gz ZOKFDBVNKFUZRU-KRWDZBQOSA-N 2 2 333.480 2.179 10 0 EEAELP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361138186 465791857 /nfs/dbraw/zinc/79/18/57/465791857.db2.gz ZOKFDBVNKFUZRU-KRWDZBQOSA-N 2 2 333.480 2.179 10 0 EEAELP COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361154851 465805440 /nfs/dbraw/zinc/80/54/40/465805440.db2.gz QYOXNLMMCGPMJS-SUMWQHHRSA-N 2 2 328.416 2.349 10 0 EEAELP COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361154851 465805441 /nfs/dbraw/zinc/80/54/41/465805441.db2.gz QYOXNLMMCGPMJS-SUMWQHHRSA-N 2 2 328.416 2.349 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000346210874 465995815 /nfs/dbraw/zinc/99/58/15/465995815.db2.gz OHFZJFLJHJCMQQ-MCIONIFRSA-N 2 2 325.403 2.406 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000346210874 465995818 /nfs/dbraw/zinc/99/58/18/465995818.db2.gz OHFZJFLJHJCMQQ-MCIONIFRSA-N 2 2 325.403 2.406 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000346210873 465996050 /nfs/dbraw/zinc/99/60/50/465996050.db2.gz OHFZJFLJHJCMQQ-HZSPNIEDSA-N 2 2 325.403 2.406 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000346210873 465996060 /nfs/dbraw/zinc/99/60/60/465996060.db2.gz OHFZJFLJHJCMQQ-HZSPNIEDSA-N 2 2 325.403 2.406 10 0 EEAELP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000302033041 466084225 /nfs/dbraw/zinc/08/42/25/466084225.db2.gz KUIWPTDCQUDDOX-AWEZNQCLSA-N 2 2 326.444 2.101 10 0 EEAELP COCCN1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361531 468479921 /nfs/dbraw/zinc/47/99/21/468479921.db2.gz DDEDUNXRLUTBSN-WOJBJXKFSA-N 2 2 343.515 2.494 10 0 EEAELP COCCN1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361531 468479925 /nfs/dbraw/zinc/47/99/25/468479925.db2.gz DDEDUNXRLUTBSN-WOJBJXKFSA-N 2 2 343.515 2.494 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000372377301 466339648 /nfs/dbraw/zinc/33/96/48/466339648.db2.gz QZHIYKWCUWKFQG-RDJZCZTQSA-N 2 2 332.835 2.488 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000372377301 466339656 /nfs/dbraw/zinc/33/96/56/466339656.db2.gz QZHIYKWCUWKFQG-RDJZCZTQSA-N 2 2 332.835 2.488 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000340952751 466462893 /nfs/dbraw/zinc/46/28/93/466462893.db2.gz BNGBSACXSUTCOY-HNNXBMFYSA-N 2 2 345.834 2.143 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000363700697 466569617 /nfs/dbraw/zinc/56/96/17/466569617.db2.gz NKKPEIABOJWFML-INIZCTEOSA-N 2 2 341.459 2.237 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000363700697 466569622 /nfs/dbraw/zinc/56/96/22/466569622.db2.gz NKKPEIABOJWFML-INIZCTEOSA-N 2 2 341.459 2.237 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000324185808 466643958 /nfs/dbraw/zinc/64/39/58/466643958.db2.gz IYMIDAHQFRUUTF-LESCRADOSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000324185808 466643961 /nfs/dbraw/zinc/64/39/61/466643961.db2.gz IYMIDAHQFRUUTF-LESCRADOSA-N 2 2 333.451 2.467 10 0 EEAELP CC1CC[NH+](C2CCC([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000422971031 466689555 /nfs/dbraw/zinc/68/95/55/466689555.db2.gz XTVNYHLINOKJAL-TUNPWDSISA-N 3 2 335.536 2.386 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCc2[nH+]ccn2C)cc1 ZINC000370345300 466843643 /nfs/dbraw/zinc/84/36/43/466843643.db2.gz KDRPRZBCKHTGON-ZDUSSCGKSA-N 2 2 338.415 2.475 10 0 EEAELP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365728663 466920818 /nfs/dbraw/zinc/92/08/18/466920818.db2.gz ISJHSOCAQLBCPI-MRXNPFEDSA-N 2 2 333.480 2.419 10 0 EEAELP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365728663 466920821 /nfs/dbraw/zinc/92/08/21/466920821.db2.gz ISJHSOCAQLBCPI-MRXNPFEDSA-N 2 2 333.480 2.419 10 0 EEAELP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365728663 466920827 /nfs/dbraw/zinc/92/08/27/466920827.db2.gz ISJHSOCAQLBCPI-MRXNPFEDSA-N 2 2 333.480 2.419 10 0 EEAELP CCn1nncc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417916065 466983731 /nfs/dbraw/zinc/98/37/31/466983731.db2.gz VKIPBGGFTRFIGO-AWEZNQCLSA-N 2 2 346.454 2.040 10 0 EEAELP Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000430243381 467410840 /nfs/dbraw/zinc/41/08/40/467410840.db2.gz ZVUXUZKPKYGSOM-KRWDZBQOSA-N 2 2 330.476 2.216 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000405357453 467480638 /nfs/dbraw/zinc/48/06/38/467480638.db2.gz ZGLPZWZSCOFEGP-BXUZGUMPSA-N 2 2 331.229 2.384 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)C[C@H]1C[NH3+] ZINC000405357453 467480643 /nfs/dbraw/zinc/48/06/43/467480643.db2.gz ZGLPZWZSCOFEGP-BXUZGUMPSA-N 2 2 331.229 2.384 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000415151380 467502519 /nfs/dbraw/zinc/50/25/19/467502519.db2.gz SKVXUYRLECKPKQ-RKVPGOIHSA-N 2 2 346.475 2.199 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975285 467524290 /nfs/dbraw/zinc/52/42/90/467524290.db2.gz FNMRWJDPGGDYIU-KRWDZBQOSA-N 2 2 331.508 2.338 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975285 467524295 /nfs/dbraw/zinc/52/42/95/467524295.db2.gz FNMRWJDPGGDYIU-KRWDZBQOSA-N 2 2 331.508 2.338 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN([C@@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975285 467524297 /nfs/dbraw/zinc/52/42/97/467524297.db2.gz FNMRWJDPGGDYIU-KRWDZBQOSA-N 2 2 331.508 2.338 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN([C@@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975285 467524300 /nfs/dbraw/zinc/52/43/00/467524300.db2.gz FNMRWJDPGGDYIU-KRWDZBQOSA-N 2 2 331.508 2.338 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)c2cnn(C)c2)CC1 ZINC000449199927 467623209 /nfs/dbraw/zinc/62/32/09/467623209.db2.gz BHOCAOFCDFJREM-OXJNMPFZSA-N 2 2 342.487 2.139 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457733860 467691020 /nfs/dbraw/zinc/69/10/20/467691020.db2.gz KOHBPSOKFADGKC-IYBDPMFKSA-N 2 2 335.496 2.020 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457733860 467691022 /nfs/dbraw/zinc/69/10/22/467691022.db2.gz KOHBPSOKFADGKC-IYBDPMFKSA-N 2 2 335.496 2.020 10 0 EEAELP CC[C@@H](C)[NH+]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000457802976 467709186 /nfs/dbraw/zinc/70/91/86/467709186.db2.gz ZBZVHBHGFAKZNM-MRXNPFEDSA-N 2 2 345.491 2.176 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)C[NH+]1CCCC1 ZINC000530321486 467975894 /nfs/dbraw/zinc/97/58/94/467975894.db2.gz QHJRXZNEDMNYIF-PKOBYXMFSA-N 2 2 340.471 2.296 10 0 EEAELP Cc1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(N(C)C)[nH+]1 ZINC000488422259 468086275 /nfs/dbraw/zinc/08/62/75/468086275.db2.gz YMXZSDDAWWQSEV-MRXNPFEDSA-N 2 2 332.496 2.338 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1nc2c(s1)CCC2 ZINC000533533924 468209073 /nfs/dbraw/zinc/20/90/73/468209073.db2.gz GTHCABYNWXHOTA-UHFFFAOYSA-N 2 2 331.445 2.173 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000567819995 468216970 /nfs/dbraw/zinc/21/69/70/468216970.db2.gz CTHNGKKCFRODFI-CJNGLKHVSA-N 2 2 327.432 2.232 10 0 EEAELP Cc1ccn(-c2ccccc2C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000570200290 468602960 /nfs/dbraw/zinc/60/29/60/468602960.db2.gz XFBQCUVFVQZECE-RTBURBONSA-N 2 2 326.444 2.037 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000594506708 468611902 /nfs/dbraw/zinc/61/19/02/468611902.db2.gz XADXULGSIZGFCD-HKUYNNGSSA-N 2 2 346.471 2.287 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000594506708 468611905 /nfs/dbraw/zinc/61/19/05/468611905.db2.gz XADXULGSIZGFCD-HKUYNNGSSA-N 2 2 346.471 2.287 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000557481647 468632631 /nfs/dbraw/zinc/63/26/31/468632631.db2.gz PAYIJFHAKOGKMU-GUYCJALGSA-N 2 2 330.407 2.107 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)C1 ZINC000557481647 468632636 /nfs/dbraw/zinc/63/26/36/468632636.db2.gz PAYIJFHAKOGKMU-GUYCJALGSA-N 2 2 330.407 2.107 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)CC2 ZINC000570637176 468669210 /nfs/dbraw/zinc/66/92/10/468669210.db2.gz HYAKQNKZWPUCRZ-HNNXBMFYSA-N 2 2 344.434 2.271 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000594914077 468720866 /nfs/dbraw/zinc/72/08/66/468720866.db2.gz CGBODMYQTRAWOX-RBSFLKMASA-N 2 2 326.506 2.135 10 0 EEAELP [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000560960139 468854938 /nfs/dbraw/zinc/85/49/38/468854938.db2.gz XELJNFRSHWBYKL-CHWSQXEVSA-N 2 2 337.493 2.378 10 0 EEAELP C[NH+](C)[C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cccc(Cl)c1 ZINC000572720067 468979098 /nfs/dbraw/zinc/97/90/98/468979098.db2.gz BQHCSCISJREHPC-GOEBONIOSA-N 2 2 327.831 2.103 10 0 EEAELP COC(=O)CCC1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000610652281 469026865 /nfs/dbraw/zinc/02/68/65/469026865.db2.gz YFBFHUAVSRUHPI-LJQANCHMSA-N 2 2 348.487 2.145 10 0 EEAELP COC(=O)CCC1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000610652281 469026868 /nfs/dbraw/zinc/02/68/68/469026868.db2.gz YFBFHUAVSRUHPI-LJQANCHMSA-N 2 2 348.487 2.145 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000614863867 469075765 /nfs/dbraw/zinc/07/57/65/469075765.db2.gz DZGFJRXGXKNCNM-DYVFJYSZSA-N 2 2 330.407 2.073 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000614863867 469075769 /nfs/dbraw/zinc/07/57/69/469075769.db2.gz DZGFJRXGXKNCNM-DYVFJYSZSA-N 2 2 330.407 2.073 10 0 EEAELP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)[C@H](C[NH3+])C1 ZINC000573223613 469087807 /nfs/dbraw/zinc/08/78/07/469087807.db2.gz QCJIKWWPHXEIGQ-HZPDHXFCSA-N 2 2 336.867 2.075 10 0 EEAELP C[N@H+]1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)[C@H](C[NH3+])C1 ZINC000573223613 469087811 /nfs/dbraw/zinc/08/78/11/469087811.db2.gz QCJIKWWPHXEIGQ-HZPDHXFCSA-N 2 2 336.867 2.075 10 0 EEAELP CCOC(=O)C[C@@H](O)C[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000599390077 469239242 /nfs/dbraw/zinc/23/92/42/469239242.db2.gz DIBZSJZJKKJADN-MRXNPFEDSA-N 2 2 345.443 2.296 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](CCC(C)(C)C(=O)OC)CC1 ZINC000599665406 469331254 /nfs/dbraw/zinc/33/12/54/469331254.db2.gz VHFPNMTYPBRSBZ-UHFFFAOYSA-N 2 2 326.481 2.153 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]([NH+]3CCCC3)CC1)CC2 ZINC000625741467 469371057 /nfs/dbraw/zinc/37/10/57/469371057.db2.gz UDDZKOTXQKMJGD-IRXDYDNUSA-N 2 2 330.476 2.231 10 0 EEAELP CCO[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000625856136 469412497 /nfs/dbraw/zinc/41/24/97/469412497.db2.gz FSEXKHQOEUEEAO-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584849 469584563 /nfs/dbraw/zinc/58/45/63/469584563.db2.gz VOPPOCPURAWLSN-QABNGEJJSA-N 2 2 333.451 2.323 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584849 469584567 /nfs/dbraw/zinc/58/45/67/469584567.db2.gz VOPPOCPURAWLSN-QABNGEJJSA-N 2 2 333.451 2.323 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592874 469588061 /nfs/dbraw/zinc/58/80/61/469588061.db2.gz FVPAOVAEFGKGGL-AHRSYUTCSA-N 2 2 329.488 2.273 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592874 469588065 /nfs/dbraw/zinc/58/80/65/469588065.db2.gz FVPAOVAEFGKGGL-AHRSYUTCSA-N 2 2 329.488 2.273 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000619771193 469679127 /nfs/dbraw/zinc/67/91/27/469679127.db2.gz UYVOQCKCZVGWOJ-UONOGXRCSA-N 2 2 335.448 2.105 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000619771193 469679128 /nfs/dbraw/zinc/67/91/28/469679128.db2.gz UYVOQCKCZVGWOJ-UONOGXRCSA-N 2 2 335.448 2.105 10 0 EEAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000623881340 469787284 /nfs/dbraw/zinc/78/72/84/469787284.db2.gz KTRPTOFBWHLCSD-MJGOQNOKSA-N 3 2 332.492 2.141 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(F)c(Cl)c1F ZINC000617764800 469796425 /nfs/dbraw/zinc/79/64/25/469796425.db2.gz HOBSTMHVDIARRB-UHFFFAOYSA-N 2 2 333.810 2.232 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(F)c(Cl)c1F ZINC000617764800 469796431 /nfs/dbraw/zinc/79/64/31/469796431.db2.gz HOBSTMHVDIARRB-UHFFFAOYSA-N 2 2 333.810 2.232 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000617766770 469796973 /nfs/dbraw/zinc/79/69/73/469796973.db2.gz UNXQJPUQSRDPFV-QGZVFWFLSA-N 2 2 331.504 2.181 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@H]1CCc2ccccc2C1 ZINC000617766770 469796977 /nfs/dbraw/zinc/79/69/77/469796977.db2.gz UNXQJPUQSRDPFV-QGZVFWFLSA-N 2 2 331.504 2.181 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cncc(-c2ccccc2)c1 ZINC000617765980 469797546 /nfs/dbraw/zinc/79/75/46/469797546.db2.gz YGZQLFDAMJDXLT-UHFFFAOYSA-N 2 2 340.471 2.362 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cncc(-c2ccccc2)c1 ZINC000617765980 469797549 /nfs/dbraw/zinc/79/75/49/469797549.db2.gz YGZQLFDAMJDXLT-UHFFFAOYSA-N 2 2 340.471 2.362 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(Br)c1 ZINC000617767979 469799344 /nfs/dbraw/zinc/79/93/44/469799344.db2.gz KLIPEDZOYWQNPG-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(Br)c1 ZINC000617767979 469799345 /nfs/dbraw/zinc/79/93/45/469799345.db2.gz KLIPEDZOYWQNPG-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP C[C@H]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[NH2+]1 ZINC000627201960 469842343 /nfs/dbraw/zinc/84/23/43/469842343.db2.gz FCJHRIRQNMWIFC-GOEBONIOSA-N 2 2 345.491 2.249 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[NH2+]1 ZINC000627205627 469843835 /nfs/dbraw/zinc/84/38/35/469843835.db2.gz CDTJJDOWVAWXMM-VNQPRFMTSA-N 2 2 327.432 2.281 10 0 EEAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227334 469880246 /nfs/dbraw/zinc/88/02/46/469880246.db2.gz NIHQWFBFHOFDLA-UKRRQHHQSA-N 2 2 328.403 2.265 10 0 EEAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227334 469880247 /nfs/dbraw/zinc/88/02/47/469880247.db2.gz NIHQWFBFHOFDLA-UKRRQHHQSA-N 2 2 328.403 2.265 10 0 EEAELP Cc1ccc2occ(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000628061836 470049777 /nfs/dbraw/zinc/04/97/77/470049777.db2.gz QQXYZEYCBFCZRR-UHFFFAOYSA-N 2 2 331.460 2.283 10 0 EEAELP Cc1ccc2occ(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000628061836 470049778 /nfs/dbraw/zinc/04/97/78/470049778.db2.gz QQXYZEYCBFCZRR-UHFFFAOYSA-N 2 2 331.460 2.283 10 0 EEAELP CC(C)OCC[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631083424 470065252 /nfs/dbraw/zinc/06/52/52/470065252.db2.gz OTQNAYIPMYWTFF-UHFFFAOYSA-N 2 2 334.508 2.278 10 0 EEAELP CSc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000648926449 470396900 /nfs/dbraw/zinc/39/69/00/470396900.db2.gz WROBKXDNYKLDPZ-OAHLLOKOSA-N 2 2 333.501 2.307 10 0 EEAELP CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000648926449 470396903 /nfs/dbraw/zinc/39/69/03/470396903.db2.gz WROBKXDNYKLDPZ-OAHLLOKOSA-N 2 2 333.501 2.307 10 0 EEAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635113238 470439538 /nfs/dbraw/zinc/43/95/38/470439538.db2.gz SHIKPXBQXMKEHE-HZPDHXFCSA-N 2 2 339.443 2.212 10 0 EEAELP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635113238 470439543 /nfs/dbraw/zinc/43/95/43/470439543.db2.gz SHIKPXBQXMKEHE-HZPDHXFCSA-N 2 2 339.443 2.212 10 0 EEAELP C[C@H](Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21)[C@@H]1C[N@H+](C)CCO1 ZINC000642208192 470533174 /nfs/dbraw/zinc/53/31/74/470533174.db2.gz GOULXSLVMTXAQH-HZMBPMFUSA-N 2 2 329.379 2.381 10 0 EEAELP C[C@H](Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21)[C@@H]1C[N@@H+](C)CCO1 ZINC000642208192 470533180 /nfs/dbraw/zinc/53/31/80/470533180.db2.gz GOULXSLVMTXAQH-HZMBPMFUSA-N 2 2 329.379 2.381 10 0 EEAELP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000643545259 470717656 /nfs/dbraw/zinc/71/76/56/470717656.db2.gz SGBNPGREAOVSFD-HOCLYGCPSA-N 2 2 337.489 2.019 10 0 EEAELP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000644547874 470979356 /nfs/dbraw/zinc/97/93/56/470979356.db2.gz DMRONWAYYAKDDK-JCBPLVBSSA-N 2 2 334.460 2.152 10 0 EEAELP C/C=C\c1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000644547874 470979361 /nfs/dbraw/zinc/97/93/61/470979361.db2.gz DMRONWAYYAKDDK-JCBPLVBSSA-N 2 2 334.460 2.152 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899734 471010483 /nfs/dbraw/zinc/01/04/83/471010483.db2.gz UJFVSDSUZQLDIT-NJAFHUGGSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899734 471010487 /nfs/dbraw/zinc/01/04/87/471010487.db2.gz UJFVSDSUZQLDIT-NJAFHUGGSA-N 2 2 327.472 2.428 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901832 471012120 /nfs/dbraw/zinc/01/21/20/471012120.db2.gz WDPFPLDREBSEAQ-CGTJXYLNSA-N 2 2 345.487 2.164 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901832 471012123 /nfs/dbraw/zinc/01/21/23/471012123.db2.gz WDPFPLDREBSEAQ-CGTJXYLNSA-N 2 2 345.487 2.164 10 0 EEAELP c1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)sn1 ZINC000638438528 471095042 /nfs/dbraw/zinc/09/50/42/471095042.db2.gz YFAZQFCGCFWQPS-UHFFFAOYSA-N 2 2 333.457 2.144 10 0 EEAELP c1cc(C[NH2+]CCC[C@H]2CCO2)cc(OCC[NH+]2CCOCC2)c1 ZINC000638440014 471096589 /nfs/dbraw/zinc/09/65/89/471096589.db2.gz IMDCJLYNNFINBM-SFHVURJKSA-N 2 2 334.460 2.056 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000651366113 471145983 /nfs/dbraw/zinc/14/59/83/471145983.db2.gz RSSUTTJTJUPFPW-UHFFFAOYSA-N 2 2 330.476 2.239 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000651366113 471145991 /nfs/dbraw/zinc/14/59/91/471145991.db2.gz RSSUTTJTJUPFPW-UHFFFAOYSA-N 2 2 330.476 2.239 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000654845403 471200284 /nfs/dbraw/zinc/20/02/84/471200284.db2.gz NBRHZHMAIPGAHL-NVXWUHKLSA-N 2 2 326.444 2.162 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000654845403 471200289 /nfs/dbraw/zinc/20/02/89/471200289.db2.gz NBRHZHMAIPGAHL-NVXWUHKLSA-N 2 2 326.444 2.162 10 0 EEAELP CN1c2ccccc2C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000658109404 471266950 /nfs/dbraw/zinc/26/69/50/471266950.db2.gz BVFMPAUFQKFTJU-KRWDZBQOSA-N 2 2 336.439 2.228 10 0 EEAELP C[C@H]1CC(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C[C@H](C)C1 ZINC000658128438 471268901 /nfs/dbraw/zinc/26/89/01/471268901.db2.gz VKVCXSPXQIVVDM-QZTJIDSGSA-N 2 2 337.552 2.445 10 0 EEAELP C[C@H]1CC(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)C1 ZINC000658128438 471268902 /nfs/dbraw/zinc/26/89/02/471268902.db2.gz VKVCXSPXQIVVDM-QZTJIDSGSA-N 2 2 337.552 2.445 10 0 EEAELP C[NH+]1CCC([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000658256997 471280920 /nfs/dbraw/zinc/28/09/20/471280920.db2.gz YALPKLMFKYRQGX-UHFFFAOYSA-N 2 2 328.504 2.025 10 0 EEAELP C[NH+]1CCC(NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000658256997 471280922 /nfs/dbraw/zinc/28/09/22/471280922.db2.gz YALPKLMFKYRQGX-UHFFFAOYSA-N 2 2 328.504 2.025 10 0 EEAELP NC(=O)CC1(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000658338859 471290312 /nfs/dbraw/zinc/29/03/12/471290312.db2.gz NYEIBCOVTMWOSP-UHFFFAOYSA-N 2 2 330.476 2.466 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000660419681 471332324 /nfs/dbraw/zinc/33/23/24/471332324.db2.gz CVLLPUAOTBFLHK-DOTOQJQBSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000660419681 471332329 /nfs/dbraw/zinc/33/23/29/471332329.db2.gz CVLLPUAOTBFLHK-DOTOQJQBSA-N 2 2 341.459 2.445 10 0 EEAELP CCN(C(=O)NCCCn1c(C)[nH+]c2ccccc21)[C@H]1CC[N@@H+](C)C1 ZINC000663457120 471387546 /nfs/dbraw/zinc/38/75/46/471387546.db2.gz HGNASZGILOALCB-INIZCTEOSA-N 2 2 343.475 2.470 10 0 EEAELP CC(C)n1ncc2c1C[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000655760193 471474009 /nfs/dbraw/zinc/47/40/09/471474009.db2.gz LQYOTSZULXJQBK-ZWKOTPCHSA-N 2 2 332.492 2.164 10 0 EEAELP C[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803552 471489688 /nfs/dbraw/zinc/48/96/88/471489688.db2.gz SPDRELVFOILHLV-YESZJQIVSA-N 2 2 332.492 2.138 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653159798 471513036 /nfs/dbraw/zinc/51/30/36/471513036.db2.gz NTSIPWJOMFZYRA-QZTJIDSGSA-N 2 2 347.890 2.345 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653159798 471513042 /nfs/dbraw/zinc/51/30/42/471513042.db2.gz NTSIPWJOMFZYRA-QZTJIDSGSA-N 2 2 347.890 2.345 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653159800 471513506 /nfs/dbraw/zinc/51/35/06/471513506.db2.gz NTSIPWJOMFZYRA-ZWKOTPCHSA-N 2 2 347.890 2.345 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653159800 471513509 /nfs/dbraw/zinc/51/35/09/471513509.db2.gz NTSIPWJOMFZYRA-ZWKOTPCHSA-N 2 2 347.890 2.345 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1[nH+]ccn1C ZINC000660959475 471567110 /nfs/dbraw/zinc/56/71/10/471567110.db2.gz PBGAEXGZFZDVFR-CWRNSKLLSA-N 2 2 327.432 2.226 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1[nH+]ccn1C ZINC000660959475 471567113 /nfs/dbraw/zinc/56/71/13/471567113.db2.gz PBGAEXGZFZDVFR-CWRNSKLLSA-N 2 2 327.432 2.226 10 0 EEAELP O[C@@H]1C[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[N@@H+]2C1 ZINC000656219734 471638517 /nfs/dbraw/zinc/63/85/17/471638517.db2.gz ZMLSFXKXZOBIQY-NWDGAFQWSA-N 2 2 348.244 2.253 10 0 EEAELP O[C@@H]1C[C@H]2CN(c3cc[nH+]c4c(Br)cccc34)CC[N@H+]2C1 ZINC000656219734 471638519 /nfs/dbraw/zinc/63/85/19/471638519.db2.gz ZMLSFXKXZOBIQY-NWDGAFQWSA-N 2 2 348.244 2.253 10 0 EEAELP Cc1c(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)oc2ccccc12 ZINC000664133048 471649389 /nfs/dbraw/zinc/64/93/89/471649389.db2.gz QEECMLUGHLTTSE-UHFFFAOYSA-N 2 2 346.475 2.424 10 0 EEAELP Cc1c(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)oc2ccccc12 ZINC000664133048 471649394 /nfs/dbraw/zinc/64/93/94/471649394.db2.gz QEECMLUGHLTTSE-UHFFFAOYSA-N 2 2 346.475 2.424 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000670079641 471671761 /nfs/dbraw/zinc/67/17/61/471671761.db2.gz ICSYPTWBIGUJCS-CQSZACIVSA-N 2 2 333.461 2.055 10 0 EEAELP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1[nH+]ccn1C ZINC000659589551 471689735 /nfs/dbraw/zinc/68/97/35/471689735.db2.gz SRGWEYXDEZVDHF-DAXOMENPSA-N 2 2 345.422 2.065 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCCc2sccc21 ZINC000664691387 471835687 /nfs/dbraw/zinc/83/56/87/471835687.db2.gz ZHAPYBBKCNHYTE-OAHLLOKOSA-N 2 2 338.521 2.308 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCc2sccc21 ZINC000664691387 471835694 /nfs/dbraw/zinc/83/56/94/471835694.db2.gz ZHAPYBBKCNHYTE-OAHLLOKOSA-N 2 2 338.521 2.308 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC[NH+](C)C3)n2)O1 ZINC000665002946 471923646 /nfs/dbraw/zinc/92/36/46/471923646.db2.gz PQEIFBAYUBZAEA-DJIMGWMZSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC[NH+](C)C3)n2)O1 ZINC000665002946 471923651 /nfs/dbraw/zinc/92/36/51/471923651.db2.gz PQEIFBAYUBZAEA-DJIMGWMZSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC[N@H+](C)C3)n2)O1 ZINC000665002946 471923656 /nfs/dbraw/zinc/92/36/56/471923656.db2.gz PQEIFBAYUBZAEA-DJIMGWMZSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](c2noc([C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC000665002946 471923662 /nfs/dbraw/zinc/92/36/62/471923662.db2.gz PQEIFBAYUBZAEA-DJIMGWMZSA-N 2 2 342.443 2.451 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3CO[C@H](C4CC4)C3)c2cc1C ZINC000667865834 471930827 /nfs/dbraw/zinc/93/08/27/471930827.db2.gz KHZFOPMUCPHPFS-MDZRGWNJSA-N 2 2 329.444 2.171 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)Cc2cnccn2)cc1 ZINC000665254893 471981707 /nfs/dbraw/zinc/98/17/07/471981707.db2.gz BOSNORNQOVZNOU-JVPBZIDWSA-N 2 2 326.444 2.152 10 0 EEAELP CCN(C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662314733 472066782 /nfs/dbraw/zinc/06/67/82/472066782.db2.gz BMQNYXRKJWRZOM-SFHVURJKSA-N 2 2 339.524 2.210 10 0 EEAELP CCN(C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662314733 472066787 /nfs/dbraw/zinc/06/67/87/472066787.db2.gz BMQNYXRKJWRZOM-SFHVURJKSA-N 2 2 339.524 2.210 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(F)cc3c2OCOC3)CCO1 ZINC000662319972 472068242 /nfs/dbraw/zinc/06/82/42/472068242.db2.gz RJRYGVRLTWSDJT-QGZVFWFLSA-N 2 2 338.423 2.235 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(F)cc3c2OCOC3)CCO1 ZINC000662319972 472068248 /nfs/dbraw/zinc/06/82/48/472068248.db2.gz RJRYGVRLTWSDJT-QGZVFWFLSA-N 2 2 338.423 2.235 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC000662335734 472076118 /nfs/dbraw/zinc/07/61/18/472076118.db2.gz PMRSDFVSXIIUJS-QEORTHHSSA-N 2 2 328.403 2.482 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC000662335734 472076124 /nfs/dbraw/zinc/07/61/24/472076124.db2.gz PMRSDFVSXIIUJS-QEORTHHSSA-N 2 2 328.403 2.482 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC000662335733 472076632 /nfs/dbraw/zinc/07/66/32/472076632.db2.gz PMRSDFVSXIIUJS-MRRJBJDNSA-N 2 2 328.403 2.482 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1 ZINC000662335733 472076634 /nfs/dbraw/zinc/07/66/34/472076634.db2.gz PMRSDFVSXIIUJS-MRRJBJDNSA-N 2 2 328.403 2.482 10 0 EEAELP CC[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000679044708 485572870 /nfs/dbraw/zinc/57/28/70/485572870.db2.gz PUDJKDLZRDHLJK-AABGKKOBSA-N 2 2 332.488 2.418 10 0 EEAELP CC[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000679044708 485572875 /nfs/dbraw/zinc/57/28/75/485572875.db2.gz PUDJKDLZRDHLJK-AABGKKOBSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000660655857 485590898 /nfs/dbraw/zinc/59/08/98/485590898.db2.gz QJSMUGYGZDGAPM-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000660655857 485590904 /nfs/dbraw/zinc/59/09/04/485590904.db2.gz QJSMUGYGZDGAPM-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(F)cc1 ZINC000660655857 485590906 /nfs/dbraw/zinc/59/09/06/485590906.db2.gz QJSMUGYGZDGAPM-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(F)cc1 ZINC000660655857 485590911 /nfs/dbraw/zinc/59/09/11/485590911.db2.gz QJSMUGYGZDGAPM-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)CC2 ZINC000679889340 485836574 /nfs/dbraw/zinc/83/65/74/485836574.db2.gz NMEIXXAEMAKUOQ-HNNXBMFYSA-N 2 2 333.480 2.229 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000679889340 485836578 /nfs/dbraw/zinc/83/65/78/485836578.db2.gz NMEIXXAEMAKUOQ-HNNXBMFYSA-N 2 2 333.480 2.229 10 0 EEAELP CN(c1ccccc1C[NH2+][C@H]1CCC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000675334169 485959106 /nfs/dbraw/zinc/95/91/06/485959106.db2.gz MUVVYSUQHYKEMP-SFHVURJKSA-N 3 2 330.520 2.401 10 0 EEAELP CN(c1ccccc1C[NH2+][C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000675334169 485959113 /nfs/dbraw/zinc/95/91/13/485959113.db2.gz MUVVYSUQHYKEMP-SFHVURJKSA-N 3 2 330.520 2.401 10 0 EEAELP CS[C@@H]1CCC[C@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000095968138 533959070 /nfs/dbraw/zinc/95/90/70/533959070.db2.gz KPIUUROGQVJZFA-ZWKOTPCHSA-N 2 2 341.565 2.047 10 0 EEAELP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000095968138 533959078 /nfs/dbraw/zinc/95/90/78/533959078.db2.gz KPIUUROGQVJZFA-ZWKOTPCHSA-N 2 2 341.565 2.047 10 0 EEAELP Cc1nc(N2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)cc[nH+]1 ZINC000183768699 534756777 /nfs/dbraw/zinc/75/67/77/534756777.db2.gz UYILCJPDBPKNNG-UHFFFAOYSA-N 2 2 343.406 2.075 10 0 EEAELP O=C1CC2(CCCC2)C(=O)N1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000738071790 577998331 /nfs/dbraw/zinc/99/83/31/577998331.db2.gz PTRGDPSZLMIOJC-UHFFFAOYSA-N 2 2 333.476 2.071 10 0 EEAELP CC[S@@](=O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000765948811 577509807 /nfs/dbraw/zinc/50/98/07/577509807.db2.gz VOVXQANZUXPUPK-JOCHJYFZSA-N 2 2 326.481 2.191 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=S)NCC[NH+](C)C)c(C)c1 ZINC000749736311 577980956 /nfs/dbraw/zinc/98/09/56/577980956.db2.gz QAZBZILQDKRTFS-KRWDZBQOSA-N 2 2 345.516 2.267 10 0 EEAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000924900224 681338619 /nfs/dbraw/zinc/33/86/19/681338619.db2.gz BDEJDALGEQITOR-GUYCJALGSA-N 2 2 337.439 2.125 10 0 EEAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000924900224 681338623 /nfs/dbraw/zinc/33/86/23/681338623.db2.gz BDEJDALGEQITOR-GUYCJALGSA-N 2 2 337.439 2.125 10 0 EEAELP CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895574981 684645702 /nfs/dbraw/zinc/64/57/02/684645702.db2.gz RDACSWFTRUACPZ-CQSZACIVSA-N 2 2 326.322 2.421 10 0 EEAELP CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895574981 684645705 /nfs/dbraw/zinc/64/57/05/684645705.db2.gz RDACSWFTRUACPZ-CQSZACIVSA-N 2 2 326.322 2.421 10 0 EEAELP COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](Cn2cc[nH+]c2)c2ccccc2)C1(F)F ZINC000895706030 684690813 /nfs/dbraw/zinc/69/08/13/684690813.db2.gz HHEXZBPWXZIZLR-ILXRZTDVSA-N 2 2 335.354 2.268 10 0 EEAELP CN(C(=O)/C=C/C=C(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896987627 686036600 /nfs/dbraw/zinc/03/66/00/686036600.db2.gz GAZNLPTUUWEOSR-KQIUPUNMSA-N 2 2 346.302 2.489 10 0 EEAELP CN(C(=O)/C=C/C=C(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896987627 686036611 /nfs/dbraw/zinc/03/66/11/686036611.db2.gz GAZNLPTUUWEOSR-KQIUPUNMSA-N 2 2 346.302 2.489 10 0 EEAELP CCO[C@@H](C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21)C[NH+](C)C ZINC000926957365 693040989 /nfs/dbraw/zinc/04/09/89/693040989.db2.gz AJTDHENWWKHHSR-HKUYNNGSSA-N 2 2 333.476 2.036 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000898488144 693345075 /nfs/dbraw/zinc/34/50/75/693345075.db2.gz DDGTXCUKVIQNMG-ROUUACIJSA-N 2 2 333.451 2.201 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000898488144 693345080 /nfs/dbraw/zinc/34/50/80/693345080.db2.gz DDGTXCUKVIQNMG-ROUUACIJSA-N 2 2 333.451 2.201 10 0 EEAELP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000898488144 693345086 /nfs/dbraw/zinc/34/50/86/693345086.db2.gz DDGTXCUKVIQNMG-ROUUACIJSA-N 2 2 333.451 2.201 10 0 EEAELP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000898488144 693345092 /nfs/dbraw/zinc/34/50/92/693345092.db2.gz DDGTXCUKVIQNMG-ROUUACIJSA-N 2 2 333.451 2.201 10 0 EEAELP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000898811384 693466058 /nfs/dbraw/zinc/46/60/58/693466058.db2.gz SMOSNPYYMIPAFL-NVXWUHKLSA-N 2 2 328.416 2.192 10 0 EEAELP C[C@H](c1ncccn1)[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581633 1191848584 /nfs/dbraw/zinc/84/85/84/1191848584.db2.gz HGRVLWAGGWGVEJ-CVEARBPZSA-N 2 2 347.507 2.096 10 0 EEAELP C[C@H](c1ncccn1)[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581633 1191848586 /nfs/dbraw/zinc/84/85/86/1191848586.db2.gz HGRVLWAGGWGVEJ-CVEARBPZSA-N 2 2 347.507 2.096 10 0 EEAELP CO[C@@H](C[N@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1)C1CCC1 ZINC001485761647 1191936246 /nfs/dbraw/zinc/93/62/46/1191936246.db2.gz WYMBOWUVTLKIAS-SFHVURJKSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@@H](C[N@@H+](C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1)C1CCC1 ZINC001485761647 1191936247 /nfs/dbraw/zinc/93/62/47/1191936247.db2.gz WYMBOWUVTLKIAS-SFHVURJKSA-N 2 2 348.491 2.011 10 0 EEAELP C[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001480866495 1176143657 /nfs/dbraw/zinc/14/36/57/1176143657.db2.gz DYQRJMPQYXZCFH-ZACQAIPSSA-N 2 2 344.503 2.246 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001480866495 1176143664 /nfs/dbraw/zinc/14/36/64/1176143664.db2.gz DYQRJMPQYXZCFH-ZACQAIPSSA-N 2 2 344.503 2.246 10 0 EEAELP CCc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001266745865 1177338328 /nfs/dbraw/zinc/33/83/28/1177338328.db2.gz MXBHIXWOLUKJHW-SFHVURJKSA-N 2 2 340.471 2.256 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H](C[NH2+]CCF)C1 ZINC001266798751 1177449896 /nfs/dbraw/zinc/44/98/96/1177449896.db2.gz OGYOSCDMAODOBE-OAHLLOKOSA-N 2 2 330.407 2.284 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001266847970 1177541063 /nfs/dbraw/zinc/54/10/63/1177541063.db2.gz FVENWFAVGGRQOO-UONOGXRCSA-N 2 2 328.407 2.318 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001267044768 1178141435 /nfs/dbraw/zinc/14/14/35/1178141435.db2.gz KKTYQWUHDHFWDU-NUEKZKHPSA-N 2 2 344.484 2.256 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001267044768 1178141441 /nfs/dbraw/zinc/14/14/41/1178141441.db2.gz KKTYQWUHDHFWDU-NUEKZKHPSA-N 2 2 344.484 2.256 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC001267168502 1178383711 /nfs/dbraw/zinc/38/37/11/1178383711.db2.gz ULWJUGFJKYVUDU-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC001267168502 1178383720 /nfs/dbraw/zinc/38/37/20/1178383720.db2.gz ULWJUGFJKYVUDU-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC001267168502 1178383728 /nfs/dbraw/zinc/38/37/28/1178383728.db2.gz ULWJUGFJKYVUDU-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC001267168502 1178383737 /nfs/dbraw/zinc/38/37/37/1178383737.db2.gz ULWJUGFJKYVUDU-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP CN(CC[NH2+]CCC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001267440800 1179015341 /nfs/dbraw/zinc/01/53/41/1179015341.db2.gz GJBJPYJBNIINFB-UHFFFAOYSA-N 2 2 337.508 2.036 10 0 EEAELP C[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1coc(-c2cccs2)n1 ZINC001480947339 1179090731 /nfs/dbraw/zinc/09/07/31/1179090731.db2.gz QGUIJVSNJVAFAR-UHFFFAOYSA-N 2 2 348.472 2.047 10 0 EEAELP C[N@@H+](CCNC(=O)C[NH+]1CCCC1)Cc1coc(-c2cccs2)n1 ZINC001480947339 1179090738 /nfs/dbraw/zinc/09/07/38/1179090738.db2.gz QGUIJVSNJVAFAR-UHFFFAOYSA-N 2 2 348.472 2.047 10 0 EEAELP Cc1cc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C(C)C)sn1 ZINC001267512654 1179229001 /nfs/dbraw/zinc/22/90/01/1179229001.db2.gz QDCBHLRZVORDBI-UHFFFAOYSA-N 2 2 335.477 2.065 10 0 EEAELP Cc1cc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C(C)C)sn1 ZINC001267512654 1179229010 /nfs/dbraw/zinc/22/90/10/1179229010.db2.gz QDCBHLRZVORDBI-UHFFFAOYSA-N 2 2 335.477 2.065 10 0 EEAELP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001268028492 1181154396 /nfs/dbraw/zinc/15/43/96/1181154396.db2.gz HJSXNVQYIUDYDD-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001268028492 1181154402 /nfs/dbraw/zinc/15/44/02/1181154402.db2.gz HJSXNVQYIUDYDD-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP CCOCCC[NH+]1CC2(C1)CCN(C(=O)CCCn1cc[nH+]c1)CC2 ZINC001268047823 1181565793 /nfs/dbraw/zinc/56/57/93/1181565793.db2.gz LLAUKCCOHNQKQP-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@H]1C[NH2+]CCC1CC1 ZINC001268187925 1181976974 /nfs/dbraw/zinc/97/69/74/1181976974.db2.gz GTDKVJQBFLXIHI-WBVHZDCISA-N 2 2 332.492 2.370 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]Cc1cc(C2CC2)no1 ZINC001691498469 1182024433 /nfs/dbraw/zinc/02/44/33/1182024433.db2.gz YSDGQYBNCPTRLJ-UHFFFAOYSA-N 2 2 345.447 2.120 10 0 EEAELP COCCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001268280934 1182148494 /nfs/dbraw/zinc/14/84/94/1182148494.db2.gz OLLKCCHGXLEAJY-CVEARBPZSA-N 2 2 344.459 2.249 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481703103 1182244345 /nfs/dbraw/zinc/24/43/45/1182244345.db2.gz NFMGRRQLLWFEBX-PPPANMTLSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481703103 1182244353 /nfs/dbraw/zinc/24/43/53/1182244353.db2.gz NFMGRRQLLWFEBX-PPPANMTLSA-N 2 2 330.476 2.382 10 0 EEAELP CC(C)=CC[N@@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482191862 1183611099 /nfs/dbraw/zinc/61/10/99/1183611099.db2.gz HYMPTXOLNPKIJM-QGZVFWFLSA-N 2 2 337.508 2.034 10 0 EEAELP CC(C)=CC[N@H+]1CCO[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482191862 1183611106 /nfs/dbraw/zinc/61/11/06/1183611106.db2.gz HYMPTXOLNPKIJM-QGZVFWFLSA-N 2 2 337.508 2.034 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001269083447 1183945864 /nfs/dbraw/zinc/94/58/64/1183945864.db2.gz DMQSXWLFDPTYLA-MJGOQNOKSA-N 2 2 342.487 2.430 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001482340010 1185435660 /nfs/dbraw/zinc/43/56/60/1185435660.db2.gz YWLAPLKJMPNAND-CHWSQXEVSA-N 2 2 335.477 2.236 10 0 EEAELP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482446160 1185764482 /nfs/dbraw/zinc/76/44/82/1185764482.db2.gz PYBDFXYKYFLUGK-QZTJIDSGSA-N 2 2 339.524 2.258 10 0 EEAELP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482446160 1185764486 /nfs/dbraw/zinc/76/44/86/1185764486.db2.gz PYBDFXYKYFLUGK-QZTJIDSGSA-N 2 2 339.524 2.258 10 0 EEAELP C[C@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001271012193 1185813218 /nfs/dbraw/zinc/81/32/18/1185813218.db2.gz COQOPQCYKSJHGT-GFCCVEGCSA-N 2 2 341.390 2.347 10 0 EEAELP CCc1onc(C)c1C[NH2+][C@H](CNC(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001482567472 1186869485 /nfs/dbraw/zinc/86/94/85/1186869485.db2.gz HZVYYPNWCCNWLJ-MRXNPFEDSA-N 2 2 347.463 2.050 10 0 EEAELP CCc1cccc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)c1 ZINC001482571015 1186908364 /nfs/dbraw/zinc/90/83/64/1186908364.db2.gz IJSADDUVBKQPSY-SFHVURJKSA-N 2 2 328.460 2.376 10 0 EEAELP CC[C@H](F)C[N@H+](C)CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001482628074 1187453630 /nfs/dbraw/zinc/45/36/30/1187453630.db2.gz BXSMNWFCIUNSEZ-AWEZNQCLSA-N 2 2 340.443 2.022 10 0 EEAELP CC[C@H](F)C[N@@H+](C)CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001482628074 1187453631 /nfs/dbraw/zinc/45/36/31/1187453631.db2.gz BXSMNWFCIUNSEZ-AWEZNQCLSA-N 2 2 340.443 2.022 10 0 EEAELP CCN(CC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001482952836 1187879072 /nfs/dbraw/zinc/87/90/72/1187879072.db2.gz YNYSESFVPLLTOA-KRWDZBQOSA-N 2 2 348.397 2.356 10 0 EEAELP CC(C)(C(=O)NC/C=C/C[NH2+]Cc1ncc(C2CC2)o1)[NH+]1CCCC1 ZINC001483043458 1188200019 /nfs/dbraw/zinc/20/00/19/1188200019.db2.gz VGWVWDZBWUSPNW-ONEGZZNKSA-N 2 2 346.475 2.188 10 0 EEAELP Cc1ccc(CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001409399788 1189625236 /nfs/dbraw/zinc/62/52/36/1189625236.db2.gz WOPOJWLRAOTUCW-IAGOWNOFSA-N 2 2 328.460 2.307 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)s1 ZINC001409403736 1189630945 /nfs/dbraw/zinc/63/09/45/1189630945.db2.gz YLLFWVUWGAQGDW-VXGBXAGGSA-N 2 2 335.477 2.030 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(Cl)c(F)c1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001409444514 1189686402 /nfs/dbraw/zinc/68/64/02/1189686402.db2.gz CKRUNRDUWPCPRL-NEPJUHHUSA-N 2 2 338.814 2.359 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(F)cc1Cl ZINC001409478647 1189817161 /nfs/dbraw/zinc/81/71/61/1189817161.db2.gz VDYMBZGIJFOEKK-RYUDHWBXSA-N 2 2 338.814 2.359 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](CCN(C)C(=O)Cn2cc[nH+]c2)C(C)C)o1 ZINC001409758622 1190248237 /nfs/dbraw/zinc/24/82/37/1190248237.db2.gz DMHMRRJKTSLABP-INIZCTEOSA-N 2 2 347.463 2.151 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001483241785 1190271965 /nfs/dbraw/zinc/27/19/65/1190271965.db2.gz MLVNKGZGDYTIJR-FUHWJXTLSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](C[N@H+](C)Cc1cccc2cccnc21)NC(=O)Cn1cc[nH+]c1 ZINC001483427310 1190475004 /nfs/dbraw/zinc/47/50/04/1190475004.db2.gz KFLFLCYPAYUFSH-OAHLLOKOSA-N 2 2 337.427 2.068 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1cccc2cccnc21)NC(=O)Cn1cc[nH+]c1 ZINC001483427310 1190475005 /nfs/dbraw/zinc/47/50/05/1190475005.db2.gz KFLFLCYPAYUFSH-OAHLLOKOSA-N 2 2 337.427 2.068 10 0 EEAELP CN(CCC[NH2+][C@H]1CCc2c1c(F)ccc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494898 1190512992 /nfs/dbraw/zinc/51/29/92/1190512992.db2.gz NGEDZOTUUKWVBP-INIZCTEOSA-N 2 2 348.397 2.356 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1cncc(F)c1)C1CC1)n1cc[nH+]c1 ZINC001483589944 1190576899 /nfs/dbraw/zinc/57/68/99/1190576899.db2.gz KFNFXXUAKUPIDW-DYVFJYSZSA-N 2 2 345.422 2.053 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483660979 1190723082 /nfs/dbraw/zinc/72/30/82/1190723082.db2.gz GAJFNNHCSBEEFV-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483660979 1190723083 /nfs/dbraw/zinc/72/30/83/1190723083.db2.gz GAJFNNHCSBEEFV-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC001483770945 1191005589 /nfs/dbraw/zinc/00/55/89/1191005589.db2.gz KWVUQUKXQXCLOQ-INIZCTEOSA-N 2 2 328.391 2.017 10 0 EEAELP C[C@@H](F)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001484389719 1191324726 /nfs/dbraw/zinc/32/47/26/1191324726.db2.gz SJWCTWNHROKVHP-WCXIOVBPSA-N 2 2 336.455 2.381 10 0 EEAELP C[C@@H](F)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCn1cc[nH+]c1)C2 ZINC001484389719 1191324729 /nfs/dbraw/zinc/32/47/29/1191324729.db2.gz SJWCTWNHROKVHP-WCXIOVBPSA-N 2 2 336.455 2.381 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001484415947 1191341942 /nfs/dbraw/zinc/34/19/42/1191341942.db2.gz VUQNKMKFWMDEAQ-CALCHBBNSA-N 2 2 344.484 2.315 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2C1 ZINC001484415947 1191341944 /nfs/dbraw/zinc/34/19/44/1191341944.db2.gz VUQNKMKFWMDEAQ-CALCHBBNSA-N 2 2 344.484 2.315 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]C[C@@H]2CCCCO2)C1)c1c[nH+]c[nH]1 ZINC001484547265 1191408408 /nfs/dbraw/zinc/40/84/08/1191408408.db2.gz PEPDIEZBWGKOBS-CVEARBPZSA-N 2 2 348.491 2.085 10 0 EEAELP CC(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCCn1cc[nH+]c1)O2 ZINC001484792226 1191527591 /nfs/dbraw/zinc/52/75/91/1191527591.db2.gz XJVJHSQMAKFXGQ-KRWDZBQOSA-N 2 2 348.491 2.059 10 0 EEAELP CC(C)=CC[NH2+]CC1(NC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001484865726 1191551110 /nfs/dbraw/zinc/55/11/10/1191551110.db2.gz SFTSGDIMPBREPV-UHFFFAOYSA-N 2 2 342.443 2.398 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C)sn1 ZINC001484978731 1191605590 /nfs/dbraw/zinc/60/55/90/1191605590.db2.gz WDJLCMWTTJCJMA-HUUCEWRRSA-N 2 2 347.488 2.207 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C)sn1 ZINC001484978731 1191605591 /nfs/dbraw/zinc/60/55/91/1191605591.db2.gz WDJLCMWTTJCJMA-HUUCEWRRSA-N 2 2 347.488 2.207 10 0 EEAELP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001485095788 1191654105 /nfs/dbraw/zinc/65/41/05/1191654105.db2.gz DGTCEKUZFRZZFR-PXIZFIGSSA-N 2 2 330.476 2.286 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccccc1Cl ZINC001485214176 1191695796 /nfs/dbraw/zinc/69/57/96/1191695796.db2.gz HKHPKDQESCNYMS-QWHCGFSZSA-N 2 2 334.851 2.299 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cn2cc[nH+]c2)o1 ZINC001485265723 1191711161 /nfs/dbraw/zinc/71/11/61/1191711161.db2.gz KZTFXPMCLLJKCF-CQSZACIVSA-N 2 2 333.436 2.015 10 0 EEAELP CC(C)=CC[NH2+]C1CC(N(C)C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001486462308 1193985051 /nfs/dbraw/zinc/98/50/51/1193985051.db2.gz MAEHTLDUSSLSCC-UHFFFAOYSA-N 2 2 330.476 2.307 10 0 EEAELP Cc1cc(C[NH+]2CC=C(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC001486520409 1194041831 /nfs/dbraw/zinc/04/18/31/1194041831.db2.gz CBVQACRDDOKCMB-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cc(C[NH+]2CC=C(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC001486520409 1194041840 /nfs/dbraw/zinc/04/18/40/1194041840.db2.gz CBVQACRDDOKCMB-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cc(C[N@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC001486520409 1194041847 /nfs/dbraw/zinc/04/18/47/1194041847.db2.gz CBVQACRDDOKCMB-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC001486520409 1194041852 /nfs/dbraw/zinc/04/18/52/1194041852.db2.gz CBVQACRDDOKCMB-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC1 ZINC001273107497 1194390852 /nfs/dbraw/zinc/39/08/52/1194390852.db2.gz ZQMOANZAHBHOML-MJSXRHKHSA-N 2 2 330.476 2.430 10 0 EEAELP CC1(C)C[N@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001410038974 1197505320 /nfs/dbraw/zinc/50/53/20/1197505320.db2.gz OGXMDLRVLMBCJA-IAGOWNOFSA-N 2 2 348.491 2.059 10 0 EEAELP CC1(C)C[N@@H+](CC[C@H]2CCCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001410038974 1197505324 /nfs/dbraw/zinc/50/53/24/1197505324.db2.gz OGXMDLRVLMBCJA-IAGOWNOFSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001273205227 1197531482 /nfs/dbraw/zinc/53/14/82/1197531482.db2.gz WSRWYGZJNJKMDY-KDOFPFPSSA-N 2 2 344.459 2.270 10 0 EEAELP Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)CCn4cc[nH+]c4)[C@@H]3C2)cs1 ZINC001410093903 1197548424 /nfs/dbraw/zinc/54/84/24/1197548424.db2.gz AGWFGOKQJQSKMF-OSYLJGHBSA-N 2 2 344.484 2.137 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)CCn4cc[nH+]c4)[C@@H]3C2)cs1 ZINC001410093903 1197548427 /nfs/dbraw/zinc/54/84/27/1197548427.db2.gz AGWFGOKQJQSKMF-OSYLJGHBSA-N 2 2 344.484 2.137 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ocnc1C ZINC001410370407 1197762547 /nfs/dbraw/zinc/76/25/47/1197762547.db2.gz FBCNYWXMIZGILK-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001410401685 1197807165 /nfs/dbraw/zinc/80/71/65/1197807165.db2.gz VSJZYXLPUDXQAI-HOCLYGCPSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001410401685 1197807183 /nfs/dbraw/zinc/80/71/83/1197807183.db2.gz VSJZYXLPUDXQAI-HOCLYGCPSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H](CN(C)C(=O)c1cc(C[NH+](C)C)on1)[NH2+]Cc1ccsc1 ZINC001410407288 1197815619 /nfs/dbraw/zinc/81/56/19/1197815619.db2.gz LKZKBLHMRCNHSZ-LBPRGKRZSA-N 2 2 336.461 2.048 10 0 EEAELP CN1Cc2ccccc2[C@H]1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872236176 1198104210 /nfs/dbraw/zinc/10/42/10/1198104210.db2.gz OCOPMIYCFCYCFX-PZJWPPBQSA-N 2 2 339.483 2.256 10 0 EEAELP CN1Cc2ccccc2[C@H]1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000872236176 1198104214 /nfs/dbraw/zinc/10/42/14/1198104214.db2.gz OCOPMIYCFCYCFX-PZJWPPBQSA-N 2 2 339.483 2.256 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CCO1 ZINC001273323191 1198162957 /nfs/dbraw/zinc/16/29/57/1198162957.db2.gz MEFCQQKONHICGM-XPQDNOAISA-N 2 2 334.464 2.008 10 0 EEAELP C[N@H+](CC(=O)OC[C@@H]1CCC[NH+]1Cc1ccco1)[C@@H]1CCSC1 ZINC000127203129 1200557984 /nfs/dbraw/zinc/55/79/84/1200557984.db2.gz DFNYUERXQBGZSG-LSDHHAIUSA-N 2 2 338.473 2.225 10 0 EEAELP C[N@@H+](CC(=O)OC[C@@H]1CCC[NH+]1Cc1ccco1)[C@@H]1CCSC1 ZINC000127203129 1200557989 /nfs/dbraw/zinc/55/79/89/1200557989.db2.gz DFNYUERXQBGZSG-LSDHHAIUSA-N 2 2 338.473 2.225 10 0 EEAELP C[NH+](CC(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1)[C@@H]1CCSC1 ZINC000127203129 1200557995 /nfs/dbraw/zinc/55/79/95/1200557995.db2.gz DFNYUERXQBGZSG-LSDHHAIUSA-N 2 2 338.473 2.225 10 0 EEAELP C[NH+](CC(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1)[C@@H]1CCSC1 ZINC000127203129 1200558003 /nfs/dbraw/zinc/55/80/03/1200558003.db2.gz DFNYUERXQBGZSG-LSDHHAIUSA-N 2 2 338.473 2.225 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000866365923 1201500498 /nfs/dbraw/zinc/50/04/98/1201500498.db2.gz ZNOCKRAWNTYDAI-AEFFLSMTSA-N 2 2 326.444 2.404 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)CC2)CC1 ZINC000868923376 1201906839 /nfs/dbraw/zinc/90/68/39/1201906839.db2.gz FDRDDMTWJPGRML-QXCFHYIPSA-N 2 2 333.520 2.297 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)CC2)CC1 ZINC000868923376 1201906841 /nfs/dbraw/zinc/90/68/41/1201906841.db2.gz FDRDDMTWJPGRML-QXCFHYIPSA-N 2 2 333.520 2.297 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)CC2)CC1 ZINC000868923375 1201906859 /nfs/dbraw/zinc/90/68/59/1201906859.db2.gz FDRDDMTWJPGRML-NXWXRZEISA-N 2 2 333.520 2.297 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@H]3C)CC2)CC1 ZINC000868923375 1201906860 /nfs/dbraw/zinc/90/68/60/1201906860.db2.gz FDRDDMTWJPGRML-NXWXRZEISA-N 2 2 333.520 2.297 10 0 EEAELP Cc1ncccc1C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001274125587 1204389583 /nfs/dbraw/zinc/38/95/83/1204389583.db2.gz ROYPKVDOMJFNDP-IHWYPQMZSA-N 2 2 335.411 2.342 10 0 EEAELP C[C@@H](F)CC[NH2+]C/C=C/CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001274235845 1204970289 /nfs/dbraw/zinc/97/02/89/1204970289.db2.gz JCGAQFYJBHRHGY-XYBNCVKDSA-N 2 2 330.407 2.496 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C/C=C/CNC(=O)CCn2cc[nH+]c2)c1 ZINC001274244306 1204972646 /nfs/dbraw/zinc/97/26/46/1204972646.db2.gz LSWIEZSPGJMNOR-ONEGZZNKSA-N 2 2 326.444 2.352 10 0 EEAELP C[C@@H](CC(=O)NC/C=C/C[NH2+]Cc1ccncc1Cl)n1cc[nH+]c1 ZINC001274404948 1205024959 /nfs/dbraw/zinc/02/49/59/1205024959.db2.gz RTWXVFNHWKHVJC-HSWBROFVSA-N 2 2 347.850 2.345 10 0 EEAELP CC(C)=CC[NH2+]CC1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001275232832 1205286916 /nfs/dbraw/zinc/28/69/16/1205286916.db2.gz CPNBHYQLNKDQBC-UHFFFAOYSA-N 2 2 330.476 2.213 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001275505552 1205387968 /nfs/dbraw/zinc/38/79/68/1205387968.db2.gz XNGGWVUWIZKDIN-JKSUJKDBSA-N 2 2 344.459 2.131 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)[C@@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CC1 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/nfs/dbraw/zinc/56/99/95/1325569995.db2.gz PRRXNJNHXGRFAI-UHFFFAOYSA-N 2 2 345.365 2.070 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+]C/C=C\c2ccccc2)C1 ZINC001282076653 1325612360 /nfs/dbraw/zinc/61/23/60/1325612360.db2.gz XMGPGPVUJHFWJC-YVMONPNESA-N 2 2 338.455 2.458 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001282215189 1325653131 /nfs/dbraw/zinc/65/31/31/1325653131.db2.gz AECSWUAUNHHYBL-NWDGAFQWSA-N 2 2 334.386 2.178 10 0 EEAELP CCCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001282773923 1325781984 /nfs/dbraw/zinc/78/19/84/1325781984.db2.gz UDSZSGVOPBUTCC-LJQANCHMSA-N 2 2 348.491 2.157 10 0 EEAELP CCCCCC[N@H+]1CCO[C@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001282773923 1325781986 /nfs/dbraw/zinc/78/19/86/1325781986.db2.gz UDSZSGVOPBUTCC-LJQANCHMSA-N 2 2 348.491 2.157 10 0 EEAELP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@H]21 ZINC001284085868 1326399898 /nfs/dbraw/zinc/39/98/98/1326399898.db2.gz JDMJMGHCFBHQNW-BRWVUGGUSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001492090938 1330998360 /nfs/dbraw/zinc/99/83/60/1330998360.db2.gz RDZQNFYZRKKJLS-GFCCVEGCSA-N 2 2 333.436 2.057 10 0 EEAELP Cc1cnc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001316955156 1332014852 /nfs/dbraw/zinc/01/48/52/1332014852.db2.gz QJEVKSBMMLFUJC-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1cnc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001316955156 1332014853 /nfs/dbraw/zinc/01/48/53/1332014853.db2.gz QJEVKSBMMLFUJC-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]([NH2+]Cc1cccc(Cl)n1)C1CC1 ZINC001317016315 1332045747 /nfs/dbraw/zinc/04/57/47/1332045747.db2.gz CWVINIYMQLFKJZ-HNNXBMFYSA-N 2 2 347.850 2.075 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001317205155 1332132816 /nfs/dbraw/zinc/13/28/16/1332132816.db2.gz DQFGSKUVCQNLOM-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001317205155 1332132818 /nfs/dbraw/zinc/13/28/18/1332132818.db2.gz DQFGSKUVCQNLOM-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001317220992 1332142214 /nfs/dbraw/zinc/14/22/14/1332142214.db2.gz QZBRHODFOHOJGE-KLAILNCOSA-N 2 2 348.491 2.094 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]C[C@H]3CCCCO3)ccn12 ZINC001320414784 1332878260 /nfs/dbraw/zinc/87/82/60/1332878260.db2.gz LYXLHWRGFDRPSB-WMLDXEAASA-N 2 2 344.459 2.310 10 0 EEAELP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001320779987 1332951296 /nfs/dbraw/zinc/95/12/96/1332951296.db2.gz LCCWWDFGILUOAF-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC001323601725 1333496466 /nfs/dbraw/zinc/49/64/66/1333496466.db2.gz IIDKBFXXVUKLCS-NSHDSACASA-N 2 2 345.274 2.083 10 0 EEAELP C[C@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001324752989 1333752833 /nfs/dbraw/zinc/75/28/33/1333752833.db2.gz UBFHVWBVGVLUKF-NNUJCLSFSA-N 2 2 336.867 2.026 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC001326874834 1334174712 /nfs/dbraw/zinc/17/47/12/1334174712.db2.gz KMXWEKDTHXOJDQ-GOSISDBHSA-N 2 2 349.519 2.225 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC001326874834 1334174713 /nfs/dbraw/zinc/17/47/13/1334174713.db2.gz KMXWEKDTHXOJDQ-GOSISDBHSA-N 2 2 349.519 2.225 10 0 EEAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCOCC2CC2)C1 ZINC001330019440 1334762057 /nfs/dbraw/zinc/76/20/57/1334762057.db2.gz DTMZKFDTCKEKPN-CYBMUJFWSA-N 2 2 342.443 2.040 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331489551 1335022018 /nfs/dbraw/zinc/02/20/18/1335022018.db2.gz MPAMRFFLYWFYFB-LLVKDONJSA-N 2 2 327.388 2.110 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001350317498 1337694420 /nfs/dbraw/zinc/69/44/20/1337694420.db2.gz WQZCPXLMBDGBPR-ZDUSSCGKSA-N 2 2 325.416 2.457 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001350317498 1337694422 /nfs/dbraw/zinc/69/44/22/1337694422.db2.gz WQZCPXLMBDGBPR-ZDUSSCGKSA-N 2 2 325.416 2.457 10 0 EEAELP CCCCCC[N@H+](C)CC(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848294101 1338645287 /nfs/dbraw/zinc/64/52/87/1338645287.db2.gz CODSODNRZKQMPN-YESZJQIVSA-N 2 2 327.513 2.112 10 0 EEAELP CCCCCC[NH+](C)CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848294101 1338645292 /nfs/dbraw/zinc/64/52/92/1338645292.db2.gz CODSODNRZKQMPN-YESZJQIVSA-N 2 2 327.513 2.112 10 0 EEAELP CCCCCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000848294101 1338645297 /nfs/dbraw/zinc/64/52/97/1338645297.db2.gz CODSODNRZKQMPN-YESZJQIVSA-N 2 2 327.513 2.112 10 0 EEAELP O=C(NC[C@H]([NH2+]CCCF)c1ccccc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001567659517 1342806704 /nfs/dbraw/zinc/80/67/04/1342806704.db2.gz HWHUADMOPQVLTI-OAGGEKHMSA-N 2 2 330.407 2.320 10 0 EEAELP O=C(NC[C@H]([NH2+]CCCF)c1ccccc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001567659517 1342806709 /nfs/dbraw/zinc/80/67/09/1342806709.db2.gz HWHUADMOPQVLTI-OAGGEKHMSA-N 2 2 330.407 2.320 10 0 EEAELP C[C@H](CCC[NH2+][C@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001676030750 1357093351 /nfs/dbraw/zinc/09/33/51/1357093351.db2.gz ZHMVMXMZXZYAOP-QAPCUYQASA-N 2 2 326.444 2.445 10 0 EEAELP CCC/C=C\CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001570244812 1343043018 /nfs/dbraw/zinc/04/30/18/1343043018.db2.gz ZIOGQSMPQSXJRJ-WIJVFFIESA-N 2 2 349.519 2.177 10 0 EEAELP CCC/C=C\CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001570244812 1343043021 /nfs/dbraw/zinc/04/30/21/1343043021.db2.gz ZIOGQSMPQSXJRJ-WIJVFFIESA-N 2 2 349.519 2.177 10 0 EEAELP Cc1ccc(CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001570640583 1343096283 /nfs/dbraw/zinc/09/62/83/1343096283.db2.gz CVNIMWQORYBSQM-JKSUJKDBSA-N 2 2 328.460 2.376 10 0 EEAELP CN(CC(C)(C)C[NH2+]CC=C(Cl)Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001570686547 1343102471 /nfs/dbraw/zinc/10/24/71/1343102471.db2.gz QWZJWPFTMPZABM-UHFFFAOYSA-N 2 2 333.263 2.345 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001571543921 1343233966 /nfs/dbraw/zinc/23/39/66/1343233966.db2.gz HQDAZFKYNXBARN-GOEBONIOSA-N 2 2 344.434 2.209 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCCc2ccccc2)[C@H]1C ZINC001676685899 1357180242 /nfs/dbraw/zinc/18/02/42/1357180242.db2.gz CCAMTCQYYDFVGB-SJLPKXTDSA-N 2 2 340.471 2.472 10 0 EEAELP C[NH+](C)Cc1nc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)co1 ZINC001650594665 1354011732 /nfs/dbraw/zinc/01/17/32/1354011732.db2.gz OAAZIGKRJZEZIH-QGZVFWFLSA-N 2 2 342.443 2.017 10 0 EEAELP C[NH+](C)Cc1nc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)co1 ZINC001650594665 1354011733 /nfs/dbraw/zinc/01/17/33/1354011733.db2.gz OAAZIGKRJZEZIH-QGZVFWFLSA-N 2 2 342.443 2.017 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001657044635 1354312181 /nfs/dbraw/zinc/31/21/81/1354312181.db2.gz ZVONOVDKFMFDFQ-HIFRSBDPSA-N 2 2 338.883 2.154 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001657044635 1354312185 /nfs/dbraw/zinc/31/21/85/1354312185.db2.gz ZVONOVDKFMFDFQ-HIFRSBDPSA-N 2 2 338.883 2.154 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001657044635 1354312191 /nfs/dbraw/zinc/31/21/91/1354312191.db2.gz ZVONOVDKFMFDFQ-HIFRSBDPSA-N 2 2 338.883 2.154 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)[C@@H]1C ZINC001657044635 1354312193 /nfs/dbraw/zinc/31/21/93/1354312193.db2.gz ZVONOVDKFMFDFQ-HIFRSBDPSA-N 2 2 338.883 2.154 10 0 EEAELP COCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001660438502 1354465095 /nfs/dbraw/zinc/46/50/95/1354465095.db2.gz BRRLQJUODQMKFC-DOTOQJQBSA-N 2 2 344.459 2.262 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cncc(C)c1 ZINC001660542098 1354485805 /nfs/dbraw/zinc/48/58/05/1354485805.db2.gz PPHGBCUNTZOKGB-IAGOWNOFSA-N 2 2 341.459 2.245 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1cncc(C)c1 ZINC001660542098 1354485806 /nfs/dbraw/zinc/48/58/06/1354485806.db2.gz PPHGBCUNTZOKGB-IAGOWNOFSA-N 2 2 341.459 2.245 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cncc(C)c1 ZINC001660542098 1354485808 /nfs/dbraw/zinc/48/58/08/1354485808.db2.gz PPHGBCUNTZOKGB-IAGOWNOFSA-N 2 2 341.459 2.245 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1cncc(C)c1 ZINC001660542098 1354485811 /nfs/dbraw/zinc/48/58/11/1354485811.db2.gz PPHGBCUNTZOKGB-IAGOWNOFSA-N 2 2 341.459 2.245 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001661963645 1354729498 /nfs/dbraw/zinc/72/94/98/1354729498.db2.gz IQLJAJIIAMMLPB-GFCCVEGCSA-N 2 2 332.370 2.184 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCc2ccccc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001667064189 1355642848 /nfs/dbraw/zinc/64/28/48/1355642848.db2.gz UYAJCOYMDGHBPN-FUHWJXTLSA-N 2 2 340.471 2.440 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001668898931 1356039867 /nfs/dbraw/zinc/03/98/67/1356039867.db2.gz DVKHBEOSUOQWEU-VOTSOKGWSA-N 2 2 342.443 2.120 10 0 EEAELP C[NH+](C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1nccs1)c1ccccc1 ZINC001669209122 1356127082 /nfs/dbraw/zinc/12/70/82/1356127082.db2.gz YKIDYQDZIFFVTC-LXXRFIIISA-N 2 2 344.484 2.208 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]CCc1ccccc1F)n1cc[nH+]c1 ZINC001669678698 1356193291 /nfs/dbraw/zinc/19/32/91/1356193291.db2.gz VFAXISZBMYXNBM-LSDHHAIUSA-N 2 2 332.423 2.310 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1 ZINC001673911661 1356759250 /nfs/dbraw/zinc/75/92/50/1356759250.db2.gz SGWMDDLKMMBBKR-WMZOPIPTSA-N 2 2 340.471 2.330 10 0 EEAELP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691752115 1356884541 /nfs/dbraw/zinc/88/45/41/1356884541.db2.gz ZTXGZDGPPIGNLG-FAKDPMAQSA-N 2 2 338.883 2.493 10 0 EEAELP CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691752115 1356884546 /nfs/dbraw/zinc/88/45/46/1356884546.db2.gz ZTXGZDGPPIGNLG-FAKDPMAQSA-N 2 2 338.883 2.493 10 0 EEAELP Cc1nc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001698849950 1405108673 /nfs/dbraw/zinc/10/86/73/1405108673.db2.gz ZWBZYDHMYYAFLH-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cs1 ZINC001698849950 1405108681 /nfs/dbraw/zinc/10/86/81/1405108681.db2.gz ZWBZYDHMYYAFLH-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+]CC[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001699138739 1405288167 /nfs/dbraw/zinc/28/81/67/1405288167.db2.gz RWSQRBMZUHWHAO-AWEZNQCLSA-N 2 2 343.475 2.464 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+][C@H](C)c1cc(F)ccc1F ZINC001699286980 1405316587 /nfs/dbraw/zinc/31/65/87/1405316587.db2.gz XTNZQRIWTMEHSL-VQTKUKTRSA-N 2 2 348.397 2.493 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]Cc3nc(C)oc3C)ccn12 ZINC001699403755 1405347703 /nfs/dbraw/zinc/34/77/03/1405347703.db2.gz LCFILFFZEGEGBD-NSHDSACASA-N 2 2 341.415 2.156 10 0 EEAELP CN(CCC[NH2+]Cc1cc(Cl)ccc1F)C(=O)Cn1cc[nH+]c1 ZINC001699555804 1405396041 /nfs/dbraw/zinc/39/60/41/1405396041.db2.gz LZWNKAZILDEALO-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP Fc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cnc1Cl ZINC000846774260 790592438 /nfs/dbraw/zinc/59/24/38/790592438.db2.gz QCBSUGSUXBLDIT-UHFFFAOYSA-N 2 2 327.831 2.418 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000912701752 788306968 /nfs/dbraw/zinc/30/69/68/788306968.db2.gz UQWIANPKXTVOKH-QGZVFWFLSA-N 2 2 338.455 2.371 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000912701752 788306977 /nfs/dbraw/zinc/30/69/77/788306977.db2.gz UQWIANPKXTVOKH-QGZVFWFLSA-N 2 2 338.455 2.371 10 0 EEAELP C[NH+]1CCN(c2ccc(NC(=O)c3c[nH+]ccc3N)cc2Cl)CC1 ZINC000844190350 788896208 /nfs/dbraw/zinc/89/62/08/788896208.db2.gz JLSPOXFSIUHPEY-UHFFFAOYSA-N 2 2 345.834 2.152 10 0 EEAELP C[C@@](O)(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)C(F)(F)F ZINC000929695923 793613598 /nfs/dbraw/zinc/61/35/98/793613598.db2.gz IVKXOCHFWNSSMM-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP C[C@@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(F)(F)C(F)(F)F ZINC000929695923 793613604 /nfs/dbraw/zinc/61/36/04/793613604.db2.gz IVKXOCHFWNSSMM-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Br)n1 ZINC000713829103 794739777 /nfs/dbraw/zinc/73/97/77/794739777.db2.gz RKRSNVRJWVCFQU-AAEUAGOBSA-N 2 2 327.270 2.099 10 0 EEAELP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Br)n1 ZINC000713829103 794739782 /nfs/dbraw/zinc/73/97/82/794739782.db2.gz RKRSNVRJWVCFQU-AAEUAGOBSA-N 2 2 327.270 2.099 10 0 EEAELP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Br)n1 ZINC000713829103 794739789 /nfs/dbraw/zinc/73/97/89/794739789.db2.gz RKRSNVRJWVCFQU-AAEUAGOBSA-N 2 2 327.270 2.099 10 0 EEAELP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)n1 ZINC000713829103 794739792 /nfs/dbraw/zinc/73/97/92/794739792.db2.gz RKRSNVRJWVCFQU-AAEUAGOBSA-N 2 2 327.270 2.099 10 0 EEAELP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921860586 797692673 /nfs/dbraw/zinc/69/26/73/797692673.db2.gz SHTNDSGTCPKVNK-RBUKOAKNSA-N 2 2 332.492 2.466 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CC1CCCC1 ZINC001566554787 1125726367 /nfs/dbraw/zinc/72/63/67/1125726367.db2.gz LUCSWEPPZKRNIJ-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CC1CCCC1 ZINC001566554787 1125726369 /nfs/dbraw/zinc/72/63/69/1125726369.db2.gz LUCSWEPPZKRNIJ-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001436976339 1088672009 /nfs/dbraw/zinc/67/20/09/1088672009.db2.gz BYUDYPGDNWLCKP-HDICACEKSA-N 2 2 326.444 2.143 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001437000238 1088751477 /nfs/dbraw/zinc/75/14/77/1088751477.db2.gz OOZOEKRRAYNHDV-HNNXBMFYSA-N 2 2 332.473 2.363 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001437000238 1088751488 /nfs/dbraw/zinc/75/14/88/1088751488.db2.gz OOZOEKRRAYNHDV-HNNXBMFYSA-N 2 2 332.473 2.363 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(F)cc1F ZINC001437163751 1089177581 /nfs/dbraw/zinc/17/75/81/1089177581.db2.gz GYUXSGPINBJOHJ-OLZOCXBDSA-N 2 2 348.397 2.018 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1csc(Cl)n1 ZINC001437262395 1089404589 /nfs/dbraw/zinc/40/45/89/1089404589.db2.gz GAMJUTWSKUSWST-YPMHNXCESA-N 2 2 344.912 2.265 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1csc(Cl)n1 ZINC001437262395 1089404596 /nfs/dbraw/zinc/40/45/96/1089404596.db2.gz GAMJUTWSKUSWST-YPMHNXCESA-N 2 2 344.912 2.265 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)s1 ZINC001437526645 1089954238 /nfs/dbraw/zinc/95/42/38/1089954238.db2.gz QMHCYFJHLXMPGL-CQSZACIVSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1ncc(C[N@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)s1 ZINC001437526645 1089954254 /nfs/dbraw/zinc/95/42/54/1089954254.db2.gz QMHCYFJHLXMPGL-CQSZACIVSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001437683430 1090219715 /nfs/dbraw/zinc/21/97/15/1090219715.db2.gz UQRIEYXYBYJNIY-YJBOKZPZSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001437683430 1090219718 /nfs/dbraw/zinc/21/97/18/1090219718.db2.gz UQRIEYXYBYJNIY-YJBOKZPZSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C2CC2)c[nH+]1 ZINC001437795631 1090381717 /nfs/dbraw/zinc/38/17/17/1090381717.db2.gz SRYKPDUEJIUYBR-WBVHZDCISA-N 2 2 348.491 2.075 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C[C@@H]2CC[C@@H](C)O2)C2CC2)c[nH+]1 ZINC001437795631 1090381723 /nfs/dbraw/zinc/38/17/23/1090381723.db2.gz SRYKPDUEJIUYBR-WBVHZDCISA-N 2 2 348.491 2.075 10 0 EEAELP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001437974010 1090565147 /nfs/dbraw/zinc/56/51/47/1090565147.db2.gz HZQLAKKTVHZKNY-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001437974010 1090565151 /nfs/dbraw/zinc/56/51/51/1090565151.db2.gz HZQLAKKTVHZKNY-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1)[NH+](C)C ZINC001438261509 1090742214 /nfs/dbraw/zinc/74/22/14/1090742214.db2.gz OAAFPAGYFAWANJ-HZPDHXFCSA-N 2 2 348.491 2.315 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1)[NH+](C)C ZINC001438261509 1090742219 /nfs/dbraw/zinc/74/22/19/1090742219.db2.gz OAAFPAGYFAWANJ-HZPDHXFCSA-N 2 2 348.491 2.315 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@H+](CCC2CC2)CCO1 ZINC001438562971 1091054650 /nfs/dbraw/zinc/05/46/50/1091054650.db2.gz BLKYWMHDUGKVQW-DOTOQJQBSA-N 2 2 348.491 2.014 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1C[N@@H+](CCC2CC2)CCO1 ZINC001438562971 1091054651 /nfs/dbraw/zinc/05/46/51/1091054651.db2.gz BLKYWMHDUGKVQW-DOTOQJQBSA-N 2 2 348.491 2.014 10 0 EEAELP Cc1ncsc1C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438712842 1091232249 /nfs/dbraw/zinc/23/22/49/1091232249.db2.gz WABBNZSFCNEOCR-LLVKDONJSA-N 2 2 335.477 2.089 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001439160177 1091804001 /nfs/dbraw/zinc/80/40/01/1091804001.db2.gz PLEDWGJORPAGFW-ZIAGYGMSSA-N 2 2 332.423 2.330 10 0 EEAELP C[C@H](C[N@H+](C)[C@@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439377536 1092117922 /nfs/dbraw/zinc/11/79/22/1092117922.db2.gz YSEFITJGLPRASN-PIGZYNQJSA-N 2 2 348.397 2.354 10 0 EEAELP C[C@H](C[N@@H+](C)[C@@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439377536 1092117926 /nfs/dbraw/zinc/11/79/26/1092117926.db2.gz YSEFITJGLPRASN-PIGZYNQJSA-N 2 2 348.397 2.354 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)o1 ZINC001439466422 1092251036 /nfs/dbraw/zinc/25/10/36/1092251036.db2.gz HZNAPCACGLSUKS-JKSUJKDBSA-N 2 2 348.491 2.267 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)o1 ZINC001439466422 1092251041 /nfs/dbraw/zinc/25/10/41/1092251041.db2.gz HZNAPCACGLSUKS-JKSUJKDBSA-N 2 2 348.491 2.267 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C2(CNC(=O)C34CCC[NH+](CCC3)C4)CC2)o1 ZINC001446188978 1092265505 /nfs/dbraw/zinc/26/55/05/1092265505.db2.gz CKZWYDQZSNSOMK-OAHLLOKOSA-N 2 2 346.475 2.158 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001439536364 1092395698 /nfs/dbraw/zinc/39/56/98/1092395698.db2.gz KQNFPTUYIVICLG-MRXNPFEDSA-N 2 2 332.835 2.236 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001439536364 1092395711 /nfs/dbraw/zinc/39/57/11/1092395711.db2.gz KQNFPTUYIVICLG-MRXNPFEDSA-N 2 2 332.835 2.236 10 0 EEAELP Cc1cc(C)cc(OCC[NH+]2CC(N(C)C(=O)CCC[NH+](C)C)C2)c1 ZINC001439740724 1092701219 /nfs/dbraw/zinc/70/12/19/1092701219.db2.gz FXUDHUZMFJIODC-UHFFFAOYSA-N 2 2 347.503 2.167 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001439814822 1092788560 /nfs/dbraw/zinc/78/85/60/1092788560.db2.gz KTRKDWZZMYABNT-ROUUACIJSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001439814822 1092788574 /nfs/dbraw/zinc/78/85/74/1092788574.db2.gz KTRKDWZZMYABNT-ROUUACIJSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1nc(C[NH+]2CC[C@](C)(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001439859731 1092889883 /nfs/dbraw/zinc/88/98/83/1092889883.db2.gz PNCZMGHLCDFVJM-APWZRJJASA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[NH+]2CC[C@](C)(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c(C)o1 ZINC001439859731 1092889888 /nfs/dbraw/zinc/88/98/88/1092889888.db2.gz PNCZMGHLCDFVJM-APWZRJJASA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)CC[C@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439859731 1092889892 /nfs/dbraw/zinc/88/98/92/1092889892.db2.gz PNCZMGHLCDFVJM-APWZRJJASA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)CC[C@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439859731 1092889899 /nfs/dbraw/zinc/88/98/99/1092889899.db2.gz PNCZMGHLCDFVJM-APWZRJJASA-N 2 2 348.491 2.246 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001439872570 1092913974 /nfs/dbraw/zinc/91/39/74/1092913974.db2.gz MTZCNOFPMSWAPO-GOSISDBHSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001439872570 1092913981 /nfs/dbraw/zinc/91/39/81/1092913981.db2.gz MTZCNOFPMSWAPO-GOSISDBHSA-N 2 2 348.397 2.251 10 0 EEAELP C[C@]1(C[NH2+]CC2CCC2)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001439896668 1092956408 /nfs/dbraw/zinc/95/64/08/1092956408.db2.gz YSJDJIZGXPUDEF-QFBILLFUSA-N 2 2 330.476 2.074 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001439934145 1093022375 /nfs/dbraw/zinc/02/23/75/1093022375.db2.gz MMWIHCNUOFUJEE-HKUYNNGSSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)o1 ZINC001439934145 1093022383 /nfs/dbraw/zinc/02/23/83/1093022383.db2.gz MMWIHCNUOFUJEE-HKUYNNGSSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439934145 1093022389 /nfs/dbraw/zinc/02/23/89/1093022389.db2.gz MMWIHCNUOFUJEE-HKUYNNGSSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@](C)(CNC(=O)[C@@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439934145 1093022395 /nfs/dbraw/zinc/02/23/95/1093022395.db2.gz MMWIHCNUOFUJEE-HKUYNNGSSA-N 2 2 348.491 2.104 10 0 EEAELP CCC[N@@H+]1CCc2c(CNC(=O)Cc3[nH]c[nH+]c3C)cccc2C1 ZINC001440261632 1093365769 /nfs/dbraw/zinc/36/57/69/1093365769.db2.gz KVOIDTTZKDZHOK-UHFFFAOYSA-N 2 2 326.444 2.345 10 0 EEAELP CCC[N@H+]1CCc2c(CNC(=O)Cc3[nH]c[nH+]c3C)cccc2C1 ZINC001440261632 1093365777 /nfs/dbraw/zinc/36/57/77/1093365777.db2.gz KVOIDTTZKDZHOK-UHFFFAOYSA-N 2 2 326.444 2.345 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCC2(C[NH+](CC)C2)O1)c1ccccc1 ZINC001440497951 1093738578 /nfs/dbraw/zinc/73/85/78/1093738578.db2.gz FJSZPHAALQSAEU-ZWKOTPCHSA-N 2 2 345.487 2.049 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCC2(C[NH+](CC)C2)O1)c1ccccc1 ZINC001440497951 1093738582 /nfs/dbraw/zinc/73/85/82/1093738582.db2.gz FJSZPHAALQSAEU-ZWKOTPCHSA-N 2 2 345.487 2.049 10 0 EEAELP CCC1([NH2+]Cc2cccnc2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001440515441 1093763538 /nfs/dbraw/zinc/76/35/38/1093763538.db2.gz FZBNGSZDJBUZBX-UHFFFAOYSA-N 2 2 341.459 2.298 10 0 EEAELP CCC1([NH2+]Cc2cccnc2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001440515441 1093763546 /nfs/dbraw/zinc/76/35/46/1093763546.db2.gz FZBNGSZDJBUZBX-UHFFFAOYSA-N 2 2 341.459 2.298 10 0 EEAELP CC(C)[NH2+]Cc1nc2c(s1)CCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001440523457 1093778560 /nfs/dbraw/zinc/77/85/60/1093778560.db2.gz LQAGZNFBONUWFN-UHFFFAOYSA-N 2 2 347.488 2.203 10 0 EEAELP C[N@H+](CCC[C@@H]1CCOC1)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001440739184 1093988303 /nfs/dbraw/zinc/98/83/03/1093988303.db2.gz UGBGSAXCBFMTBI-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP C[N@@H+](CCC[C@@H]1CCOC1)C[C@H]1CCCN1C(=O)CCn1cc[nH+]c1 ZINC001440739184 1093988306 /nfs/dbraw/zinc/98/83/06/1093988306.db2.gz 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EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](CC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001495362997 1101078864 /nfs/dbraw/zinc/07/88/64/1101078864.db2.gz KBUNIFOASQFWMK-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](CC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001495362997 1101078867 /nfs/dbraw/zinc/07/88/67/1101078867.db2.gz KBUNIFOASQFWMK-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(C[NH+]1CCCC1)NCc1ccc(C[NH2+]Cc2cscn2)cc1 ZINC001495496923 1101207086 /nfs/dbraw/zinc/20/70/86/1101207086.db2.gz AWBFNFXQSOQRAU-UHFFFAOYSA-N 2 2 344.484 2.145 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CCOC1CCC1 ZINC001495690583 1101442626 /nfs/dbraw/zinc/44/26/26/1101442626.db2.gz FVALWUBBXGPAJW-CYBMUJFWSA-N 2 2 330.432 2.088 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC001446921439 1101596158 /nfs/dbraw/zinc/59/61/58/1101596158.db2.gz FJWHRTGGRDIUCE-HIYMHQGOSA-N 2 2 336.867 2.074 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC001446921439 1101596171 /nfs/dbraw/zinc/59/61/71/1101596171.db2.gz FJWHRTGGRDIUCE-HIYMHQGOSA-N 2 2 336.867 2.074 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CCc1ccc(C)cc1 ZINC001495797576 1101610379 /nfs/dbraw/zinc/61/03/79/1101610379.db2.gz RROMYBTWCHMUTR-HNNXBMFYSA-N 2 2 328.460 2.154 10 0 EEAELP C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001496095171 1102048984 /nfs/dbraw/zinc/04/89/84/1102048984.db2.gz UPIOPZGKWXWCSF-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001496127318 1102109821 /nfs/dbraw/zinc/10/98/21/1102109821.db2.gz VXECVSYGADMTPY-SKHCZCESSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc2ncccc2c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497297092 1102271635 /nfs/dbraw/zinc/27/16/35/1102271635.db2.gz IXMGGBYJPVIECO-AWEZNQCLSA-N 2 2 337.427 2.185 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1 ZINC001497684181 1102899045 /nfs/dbraw/zinc/89/90/45/1102899045.db2.gz XTKYXSSYDUGFFD-KWWITBOBSA-N 2 2 342.487 2.366 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001447575736 1102901290 /nfs/dbraw/zinc/90/12/90/1102901290.db2.gz GNBGFAVWYCMJSN-MRXNPFEDSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001447575736 1102901303 /nfs/dbraw/zinc/90/13/03/1102901303.db2.gz GNBGFAVWYCMJSN-MRXNPFEDSA-N 2 2 348.491 2.184 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001497732723 1102982393 /nfs/dbraw/zinc/98/23/93/1102982393.db2.gz SUKLPNYPRQMSBH-HSWBROFVSA-N 2 2 340.418 2.050 10 0 EEAELP Cc1nsc(C)c1C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001493879150 1103024001 /nfs/dbraw/zinc/02/40/01/1103024001.db2.gz PMLMQGNSZJMKPZ-UHFFFAOYSA-N 2 2 349.504 2.373 10 0 EEAELP Cc1nsc(C)c1C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001493879150 1103024015 /nfs/dbraw/zinc/02/40/15/1103024015.db2.gz PMLMQGNSZJMKPZ-UHFFFAOYSA-N 2 2 349.504 2.373 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497763347 1103056646 /nfs/dbraw/zinc/05/66/46/1103056646.db2.gz LFSCDJNWSBBWJZ-MRINAFOASA-N 2 2 346.475 2.187 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC/C=C/C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497763347 1103056662 /nfs/dbraw/zinc/05/66/62/1103056662.db2.gz LFSCDJNWSBBWJZ-MRINAFOASA-N 2 2 346.475 2.187 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)Cc2csc(Cl)n2)C1 ZINC001494158192 1103618808 /nfs/dbraw/zinc/61/88/08/1103618808.db2.gz XGFSDTXVVQZWSW-GFCCVEGCSA-N 2 2 344.912 2.029 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)Cc2csc(Cl)n2)C1 ZINC001494158192 1103618816 /nfs/dbraw/zinc/61/88/16/1103618816.db2.gz XGFSDTXVVQZWSW-GFCCVEGCSA-N 2 2 344.912 2.029 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001448037708 1103861032 /nfs/dbraw/zinc/86/10/32/1103861032.db2.gz UCWFGEWCZYCSCN-HNNXBMFYSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC001448037708 1103861046 /nfs/dbraw/zinc/86/10/46/1103861046.db2.gz UCWFGEWCZYCSCN-HNNXBMFYSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC001448037708 1103861062 /nfs/dbraw/zinc/86/10/62/1103861062.db2.gz UCWFGEWCZYCSCN-HNNXBMFYSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC001448037708 1103861077 /nfs/dbraw/zinc/86/10/77/1103861077.db2.gz UCWFGEWCZYCSCN-HNNXBMFYSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCc1ccccc1 ZINC001448043857 1103882934 /nfs/dbraw/zinc/88/29/34/1103882934.db2.gz IMQJXAXJWCLJBG-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCc1ccccc1 ZINC001448043857 1103882946 /nfs/dbraw/zinc/88/29/46/1103882946.db2.gz IMQJXAXJWCLJBG-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001448138944 1104089020 /nfs/dbraw/zinc/08/90/20/1104089020.db2.gz JXHLQFNIGALFOE-MAUKXSAKSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCCc2ccccc21 ZINC001448138944 1104089030 /nfs/dbraw/zinc/08/90/30/1104089030.db2.gz JXHLQFNIGALFOE-MAUKXSAKSA-N 2 2 326.444 2.397 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001494660312 1104246119 /nfs/dbraw/zinc/24/61/19/1104246119.db2.gz JONMKQJYGUZTPV-KJUCQMERSA-N 2 2 342.487 2.477 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001494660312 1104246121 /nfs/dbraw/zinc/24/61/21/1104246121.db2.gz JONMKQJYGUZTPV-KJUCQMERSA-N 2 2 342.487 2.477 10 0 EEAELP CO[C@H](C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001448258112 1104261785 /nfs/dbraw/zinc/26/17/85/1104261785.db2.gz MOFMLCNRWYANKU-QZTJIDSGSA-N 2 2 348.491 2.059 10 0 EEAELP CO[C@H](C[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001448258112 1104261790 /nfs/dbraw/zinc/26/17/90/1104261790.db2.gz MOFMLCNRWYANKU-QZTJIDSGSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001494852427 1104456760 /nfs/dbraw/zinc/45/67/60/1104456760.db2.gz MIPILEBHFGKAAW-GOEBONIOSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001494852427 1104456764 /nfs/dbraw/zinc/45/67/64/1104456764.db2.gz MIPILEBHFGKAAW-GOEBONIOSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC001494852427 1104456768 /nfs/dbraw/zinc/45/67/68/1104456768.db2.gz MIPILEBHFGKAAW-GOEBONIOSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H]1CC[N@@H+](CCc2cccs2)C1 ZINC001494852427 1104456772 /nfs/dbraw/zinc/45/67/72/1104456772.db2.gz MIPILEBHFGKAAW-GOEBONIOSA-N 2 2 346.500 2.425 10 0 EEAELP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1ccns1 ZINC001494999795 1104641757 /nfs/dbraw/zinc/64/17/57/1104641757.db2.gz BLKNWUPCSRCAEC-ZDUSSCGKSA-N 2 2 335.477 2.068 10 0 EEAELP CC[C@@H](C(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001452612827 1105605069 /nfs/dbraw/zinc/60/50/69/1105605069.db2.gz UVWPLHXPNQDMOW-IKGGRYGDSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@@H](C(=O)N1CC[NH+](C)[C@H](C(C)(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001452612827 1105605072 /nfs/dbraw/zinc/60/50/72/1105605072.db2.gz UVWPLHXPNQDMOW-IKGGRYGDSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001452612827 1105605081 /nfs/dbraw/zinc/60/50/81/1105605081.db2.gz UVWPLHXPNQDMOW-IKGGRYGDSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001452612827 1105605085 /nfs/dbraw/zinc/60/50/85/1105605085.db2.gz UVWPLHXPNQDMOW-IKGGRYGDSA-N 2 2 339.524 2.065 10 0 EEAELP CO[C@H](C[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001480740203 1107024228 /nfs/dbraw/zinc/02/42/28/1107024228.db2.gz XOKTYBKYPXJNDI-IAGOWNOFSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001480740203 1107024242 /nfs/dbraw/zinc/02/42/42/1107024242.db2.gz XOKTYBKYPXJNDI-IAGOWNOFSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1cccs1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323653 1107290661 /nfs/dbraw/zinc/29/06/61/1107290661.db2.gz PHTVFDAFYCXKME-GJZGRUSLSA-N 2 2 346.500 2.186 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1cccs1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498323653 1107290668 /nfs/dbraw/zinc/29/06/68/1107290668.db2.gz PHTVFDAFYCXKME-GJZGRUSLSA-N 2 2 346.500 2.186 10 0 EEAELP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001498367944 1107402164 /nfs/dbraw/zinc/40/21/64/1107402164.db2.gz ZNWCQPOJLICJFQ-SJLPKXTDSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001498367944 1107402170 /nfs/dbraw/zinc/40/21/70/1107402170.db2.gz ZNWCQPOJLICJFQ-SJLPKXTDSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001498367944 1107402173 /nfs/dbraw/zinc/40/21/73/1107402173.db2.gz ZNWCQPOJLICJFQ-SJLPKXTDSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001498367944 1107402177 /nfs/dbraw/zinc/40/21/77/1107402177.db2.gz ZNWCQPOJLICJFQ-SJLPKXTDSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001498458167 1107567887 /nfs/dbraw/zinc/56/78/87/1107567887.db2.gz WUGGRGAMOJMDNV-AWEZNQCLSA-N 2 2 348.447 2.211 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001498458167 1107567893 /nfs/dbraw/zinc/56/78/93/1107567893.db2.gz WUGGRGAMOJMDNV-AWEZNQCLSA-N 2 2 348.447 2.211 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cc(-c2ccco2)on1 ZINC001498458167 1107567909 /nfs/dbraw/zinc/56/79/09/1107567909.db2.gz WUGGRGAMOJMDNV-AWEZNQCLSA-N 2 2 348.447 2.211 10 0 EEAELP CN1CC[NH+](Cc2ccc(C(=O)Nc3ccc4c[nH+]cn4c3)cc2)CC1 ZINC001456451145 1109180113 /nfs/dbraw/zinc/18/01/13/1109180113.db2.gz ZVAVTRISTQSRTL-UHFFFAOYSA-N 2 2 349.438 2.334 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001500012733 1112579079 /nfs/dbraw/zinc/57/90/79/1112579079.db2.gz IMRSVBZATDSGNM-UHFFFAOYSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001500012733 1112579082 /nfs/dbraw/zinc/57/90/82/1112579082.db2.gz IMRSVBZATDSGNM-UHFFFAOYSA-N 2 2 348.491 2.363 10 0 EEAELP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccon1)[NH+](CC)CC ZINC001500149525 1112639000 /nfs/dbraw/zinc/63/90/00/1112639000.db2.gz RPPUBYHQAWOXQX-SQNIBIBYSA-N 2 2 348.491 2.360 10 0 EEAELP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1)[NH+](CC)CC ZINC001500149525 1112639001 /nfs/dbraw/zinc/63/90/01/1112639001.db2.gz RPPUBYHQAWOXQX-SQNIBIBYSA-N 2 2 348.491 2.360 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1coc(C2CC2)n1 ZINC001501399657 1113343244 /nfs/dbraw/zinc/34/32/44/1113343244.db2.gz JUSPGCGVRFATDJ-SJORKVTESA-N 2 2 346.475 2.069 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1coc(C2CC2)n1 ZINC001501399657 1113343247 /nfs/dbraw/zinc/34/32/47/1113343247.db2.gz JUSPGCGVRFATDJ-SJORKVTESA-N 2 2 346.475 2.069 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CC=C(Cl)Cl)CC1 ZINC001501723853 1113450116 /nfs/dbraw/zinc/45/01/16/1113450116.db2.gz ZQEYDPXLWGYOLD-JOCQHMNTSA-N 2 2 345.274 2.467 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCN(C)C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)co1 ZINC001502381802 1113656596 /nfs/dbraw/zinc/65/65/96/1113656596.db2.gz GNCCEQMVRNWBQS-ZWKOTPCHSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1nc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)co1 ZINC001502381802 1113656600 /nfs/dbraw/zinc/65/66/00/1113656600.db2.gz GNCCEQMVRNWBQS-ZWKOTPCHSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1nc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)co1 ZINC001502381802 1113656601 /nfs/dbraw/zinc/65/66/01/1113656601.db2.gz GNCCEQMVRNWBQS-ZWKOTPCHSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1nc(C[NH+](C)CCCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)co1 ZINC001502381802 1113656604 /nfs/dbraw/zinc/65/66/04/1113656604.db2.gz GNCCEQMVRNWBQS-ZWKOTPCHSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001505947742 1114295237 /nfs/dbraw/zinc/29/52/37/1114295237.db2.gz AKMGGMVVRAJGOX-IAGOWNOFSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001505947742 1114295239 /nfs/dbraw/zinc/29/52/39/1114295239.db2.gz AKMGGMVVRAJGOX-IAGOWNOFSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]C[C@H]2CCOC2)CCCCC1 ZINC001506520702 1114669458 /nfs/dbraw/zinc/66/94/58/1114669458.db2.gz ITPNPJTXNGHHQI-HZPDHXFCSA-N 2 2 348.491 2.034 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]C[C@H]2CCOC2)CCCCC1 ZINC001506520702 1114669461 /nfs/dbraw/zinc/66/94/61/1114669461.db2.gz ITPNPJTXNGHHQI-HZPDHXFCSA-N 2 2 348.491 2.034 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001507093394 1115104197 /nfs/dbraw/zinc/10/41/97/1115104197.db2.gz VVTFWSOREDFJNK-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CCCCC1 ZINC001507093688 1115104989 /nfs/dbraw/zinc/10/49/89/1115104989.db2.gz YQOQMLUJNGOHCQ-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCc1cccs1 ZINC001507122193 1115119589 /nfs/dbraw/zinc/11/95/89/1115119589.db2.gz AQHDOBDMBMUMAI-FVQBIDKESA-N 2 2 346.500 2.264 10 0 EEAELP CCc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001507130362 1115124287 /nfs/dbraw/zinc/12/42/87/1115124287.db2.gz UEJURSNWTFWHIW-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP CC[C@H](C[NH+]1CCC(C2(NC(=O)CCn3cc[nH+]c3)CC2)CC1)OC ZINC001508162377 1115431435 /nfs/dbraw/zinc/43/14/35/1115431435.db2.gz VVYSSMOBWTZMOZ-QGZVFWFLSA-N 2 2 348.491 2.059 10 0 EEAELP C[N@@H+](CCc1ccccc1)CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC001546335185 1118608551 /nfs/dbraw/zinc/60/85/51/1118608551.db2.gz NZXIRXQOYOFOIH-UHFFFAOYSA-N 2 2 335.411 2.380 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2cscn2)C1 ZINC001567944607 1124198453 /nfs/dbraw/zinc/19/84/53/1124198453.db2.gz XMBHYYUHUNRRLF-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cscn2)C1 ZINC001567944607 1124198456 /nfs/dbraw/zinc/19/84/56/1124198456.db2.gz XMBHYYUHUNRRLF-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP C[C@](C[NH2+]Cc1cccc(Cl)n1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001568034764 1124241539 /nfs/dbraw/zinc/24/15/39/1124241539.db2.gz WSFRCLIFQCAMCF-QGZVFWFLSA-N 2 2 347.850 2.006 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568331393 1124422829 /nfs/dbraw/zinc/42/28/29/1124422829.db2.gz QJCMBMYDPKWTSZ-OGCZOTBESA-N 2 2 338.883 2.319 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000088510188 539369999 /nfs/dbraw/zinc/36/99/99/539369999.db2.gz DRKCEDVVCXUXEY-GOSISDBHSA-N 2 2 332.492 2.082 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000088510188 539370001 /nfs/dbraw/zinc/37/00/01/539370001.db2.gz DRKCEDVVCXUXEY-GOSISDBHSA-N 2 2 332.492 2.082 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000246856677 282343435 /nfs/dbraw/zinc/34/34/35/282343435.db2.gz KMYUHTSZXFOWIF-ZIAGYGMSSA-N 2 2 335.414 2.061 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000246856677 282343436 /nfs/dbraw/zinc/34/34/36/282343436.db2.gz KMYUHTSZXFOWIF-ZIAGYGMSSA-N 2 2 335.414 2.061 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000246856677 282343438 /nfs/dbraw/zinc/34/34/38/282343438.db2.gz KMYUHTSZXFOWIF-ZIAGYGMSSA-N 2 2 335.414 2.061 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000246856677 282343439 /nfs/dbraw/zinc/34/34/39/282343439.db2.gz KMYUHTSZXFOWIF-ZIAGYGMSSA-N 2 2 335.414 2.061 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339070536 539817185 /nfs/dbraw/zinc/81/71/85/539817185.db2.gz ZLZOFTYRPXGQDD-UXHICEINSA-N 3 2 329.488 2.235 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070536 539817192 /nfs/dbraw/zinc/81/71/92/539817192.db2.gz ZLZOFTYRPXGQDD-UXHICEINSA-N 3 2 329.488 2.235 10 0 EEAELP CCOc1cc2c(cc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)O[C@@H](C)C2 ZINC000422782795 240221843 /nfs/dbraw/zinc/22/18/43/240221843.db2.gz MJGDZEOROSINGD-CJMONDIMSA-N 2 2 346.471 2.265 10 0 EEAELP CCOc1cc2c(cc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)O[C@@H](C)C2 ZINC000422782796 240222031 /nfs/dbraw/zinc/22/20/31/240222031.db2.gz MJGDZEOROSINGD-QTJFZDIUSA-N 2 2 346.471 2.265 10 0 EEAELP CC1CCN(c2ccc(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)cn2)CC1 ZINC000422888647 240275936 /nfs/dbraw/zinc/27/59/36/240275936.db2.gz DKXQHFAGAPMEFR-ICSRJNTNSA-N 2 2 344.503 2.175 10 0 EEAELP OCCC[NH+]1CCC([NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000459512021 245150789 /nfs/dbraw/zinc/15/07/89/245150789.db2.gz QKKAABTWYIWEHT-UHFFFAOYSA-N 2 2 337.895 2.309 10 0 EEAELP C[C@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)CS(C)(=O)=O ZINC000459483784 245139485 /nfs/dbraw/zinc/13/94/85/245139485.db2.gz PNDFTTPQVWAPQM-OAHLLOKOSA-N 2 2 347.484 2.038 10 0 EEAELP Cn1nccc1[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000459721300 245224813 /nfs/dbraw/zinc/22/48/13/245224813.db2.gz TZLWAIIYSMMVAX-KRWDZBQOSA-N 2 2 348.878 2.361 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)s1 ZINC000237093997 204377387 /nfs/dbraw/zinc/37/73/87/204377387.db2.gz VSGBYFNNZHOEBI-QGZVFWFLSA-N 2 2 347.528 2.344 10 0 EEAELP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000248072753 205334679 /nfs/dbraw/zinc/33/46/79/205334679.db2.gz MQKABKQUCUXCBW-DLBZAZTESA-N 2 2 347.507 2.116 10 0 EEAELP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000248072753 205334683 /nfs/dbraw/zinc/33/46/83/205334683.db2.gz MQKABKQUCUXCBW-DLBZAZTESA-N 2 2 347.507 2.116 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000495167380 247077332 /nfs/dbraw/zinc/07/73/32/247077332.db2.gz ZZZOLOCUCGRZAG-UHFFFAOYSA-N 2 2 329.286 2.346 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(COC)cc2)nc[nH+]1 ZINC000174360296 207014789 /nfs/dbraw/zinc/01/47/89/207014789.db2.gz VZTCNFSIYFABAZ-KRWDZBQOSA-N 2 2 341.459 2.423 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2OC)[C@H](C)C1 ZINC000174781575 207057327 /nfs/dbraw/zinc/05/73/27/207057327.db2.gz LVOVPFCWYSBFLZ-AEFFLSMTSA-N 2 2 347.503 2.316 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2OC)[C@H](C)C1 ZINC000174781575 207057331 /nfs/dbraw/zinc/05/73/31/207057331.db2.gz LVOVPFCWYSBFLZ-AEFFLSMTSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2OC)[C@H](C)C1 ZINC000174781575 207057336 /nfs/dbraw/zinc/05/73/36/207057336.db2.gz LVOVPFCWYSBFLZ-AEFFLSMTSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2OC)[C@H](C)C1 ZINC000174781575 207057339 /nfs/dbraw/zinc/05/73/39/207057339.db2.gz LVOVPFCWYSBFLZ-AEFFLSMTSA-N 2 2 347.503 2.316 10 0 EEAELP COc1ccnc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1OC ZINC000190525994 152207554 /nfs/dbraw/zinc/20/75/54/152207554.db2.gz XZGLAORESBOVEK-UHFFFAOYSA-N 2 2 330.432 2.287 10 0 EEAELP COC(=O)c1cccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374208027 154003787 /nfs/dbraw/zinc/00/37/87/154003787.db2.gz KPQFCMQEPFZBGV-UHFFFAOYSA-N 2 2 329.400 2.455 10 0 EEAELP Cc1ccc(CNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000374206943 154004018 /nfs/dbraw/zinc/00/40/18/154004018.db2.gz GVCBENVIXLCDLV-UHFFFAOYSA-N 2 2 330.407 2.353 10 0 EEAELP CS(=O)(=O)c1cccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374210785 154005996 /nfs/dbraw/zinc/00/59/96/154005996.db2.gz WILMTXHUJWVEFL-UHFFFAOYSA-N 2 2 349.456 2.072 10 0 EEAELP CC(C)[C@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCCC1 ZINC000105126015 159297483 /nfs/dbraw/zinc/29/74/83/159297483.db2.gz QFXFEUKGRUPJMM-INIZCTEOSA-N 2 2 333.480 2.067 10 0 EEAELP CC(C)[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(F)cc1 ZINC000193634114 160184702 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UACTWRSEDNAIFS-UKRRQHHQSA-N 2 2 347.488 2.053 10 0 EEAELP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000246325455 160273586 /nfs/dbraw/zinc/27/35/86/160273586.db2.gz NHUYAZFQIOCQTE-NVXWUHKLSA-N 2 2 345.491 2.032 10 0 EEAELP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000246325455 160273589 /nfs/dbraw/zinc/27/35/89/160273589.db2.gz NHUYAZFQIOCQTE-NVXWUHKLSA-N 2 2 345.491 2.032 10 0 EEAELP C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246744903 160292064 /nfs/dbraw/zinc/29/20/64/160292064.db2.gz WXVYRBSHNJNQRI-BRWVUGGUSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+]1CCC[C@@H](C)C1 ZINC000246744903 160292066 /nfs/dbraw/zinc/29/20/66/160292066.db2.gz WXVYRBSHNJNQRI-BRWVUGGUSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000247186169 160314051 /nfs/dbraw/zinc/31/40/51/160314051.db2.gz LDSYJYQFUCRLDD-WBVHZDCISA-N 2 2 339.443 2.250 10 0 EEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000247186169 160314052 /nfs/dbraw/zinc/31/40/52/160314052.db2.gz LDSYJYQFUCRLDD-WBVHZDCISA-N 2 2 339.443 2.250 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2nccn2CC(C)C)CC1 ZINC000342780526 161090449 /nfs/dbraw/zinc/09/04/49/161090449.db2.gz KXOBYTJPISBSPA-UHFFFAOYSA-N 2 2 336.480 2.046 10 0 EEAELP C[NH+]1CCC(CNC(=O)N2CC[C@H](C3CC3)C2)([NH+]2CCCCC2)CC1 ZINC000344064835 161195217 /nfs/dbraw/zinc/19/52/17/161195217.db2.gz QHYLNDZBPVDZHU-SFHVURJKSA-N 2 2 348.535 2.378 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)CC3(C(F)(F)F)CC3)CC2)CC1 ZINC000352808084 162296143 /nfs/dbraw/zinc/29/61/43/162296143.db2.gz ZAHFYMOUKQNLTJ-UHFFFAOYSA-N 2 2 347.425 2.394 10 0 EEAELP C[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000360027608 164219936 /nfs/dbraw/zinc/21/99/36/164219936.db2.gz MFMVTKBAERADMJ-MRXNPFEDSA-N 2 2 332.492 2.060 10 0 EEAELP C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000360027608 164219939 /nfs/dbraw/zinc/21/99/39/164219939.db2.gz MFMVTKBAERADMJ-MRXNPFEDSA-N 2 2 332.492 2.060 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000368124428 166055189 /nfs/dbraw/zinc/05/51/89/166055189.db2.gz RKFIKWCAEMLQSG-HNNXBMFYSA-N 2 2 337.427 2.148 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000368124428 166055190 /nfs/dbraw/zinc/05/51/90/166055190.db2.gz RKFIKWCAEMLQSG-HNNXBMFYSA-N 2 2 337.427 2.148 10 0 EEAELP Cc1ccc(C2CCN(c3cc[nH+]c(N4CCOCC4)n3)CC2)c[nH+]1 ZINC000364972184 165338217 /nfs/dbraw/zinc/33/82/17/165338217.db2.gz WTQUFSVJLURYLY-UHFFFAOYSA-N 2 2 339.443 2.401 10 0 EEAELP Cc1cccc(NC(=O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374421184 167040376 /nfs/dbraw/zinc/04/03/76/167040376.db2.gz NNEYLOONAGUHLM-FGTMMUONSA-N 2 2 331.460 2.117 10 0 EEAELP Cc1cccc(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374421184 167040377 /nfs/dbraw/zinc/04/03/77/167040377.db2.gz NNEYLOONAGUHLM-FGTMMUONSA-N 2 2 331.460 2.117 10 0 EEAELP CCOC(=O)c1cnn(C2CC[NH+](CCCn3cc[nH+]c3)CC2)c1C ZINC000375622206 167168765 /nfs/dbraw/zinc/16/87/65/167168765.db2.gz BTPYUWVCTZFQPM-UHFFFAOYSA-N 2 2 345.447 2.292 10 0 EEAELP COc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc2c1OCCO2 ZINC000376729381 167382513 /nfs/dbraw/zinc/38/25/13/167382513.db2.gz PUEBQMKCBSWRRX-UHFFFAOYSA-N 2 2 329.400 2.289 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)C1CC1 ZINC000289695624 275139966 /nfs/dbraw/zinc/13/99/66/275139966.db2.gz FDOTVPBEXAOCAZ-OAHLLOKOSA-N 2 2 340.414 2.263 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)C1CC1 ZINC000289695624 275139968 /nfs/dbraw/zinc/13/99/68/275139968.db2.gz FDOTVPBEXAOCAZ-OAHLLOKOSA-N 2 2 340.414 2.263 10 0 EEAELP COc1cccc2c(N3C[C@H](C)[N@H+](CCO)C[C@H]3C)cc(C)[nH+]c12 ZINC000419007103 278025257 /nfs/dbraw/zinc/02/52/57/278025257.db2.gz RGYVWSLVIUMARN-LSDHHAIUSA-N 2 2 329.444 2.443 10 0 EEAELP COc1cccc2c(N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)cc(C)[nH+]c12 ZINC000419007103 278025258 /nfs/dbraw/zinc/02/52/58/278025258.db2.gz RGYVWSLVIUMARN-LSDHHAIUSA-N 2 2 329.444 2.443 10 0 EEAELP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077378118 289226733 /nfs/dbraw/zinc/22/67/33/289226733.db2.gz RAKSYAGBVCLOOF-SFHVURJKSA-N 3 2 337.533 2.232 10 0 EEAELP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077378118 289226734 /nfs/dbraw/zinc/22/67/34/289226734.db2.gz RAKSYAGBVCLOOF-SFHVURJKSA-N 3 2 337.533 2.232 10 0 EEAELP O=C(C1CCCC1)N1CC[NH+](CCNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000301897293 294908551 /nfs/dbraw/zinc/90/85/51/294908551.db2.gz VMKORGUIIPEPJS-UHFFFAOYSA-N 2 2 341.459 2.309 10 0 EEAELP c1sc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1-c1ccncc1 ZINC000422913608 304865472 /nfs/dbraw/zinc/86/54/72/304865472.db2.gz QLIMYYVCQUQTQD-WMZOPIPTSA-N 2 2 344.484 2.104 10 0 EEAELP CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344681038 312270035 /nfs/dbraw/zinc/27/00/35/312270035.db2.gz ZSMGTCFTHHCZJA-ZDUSSCGKSA-N 2 2 330.432 2.497 10 0 EEAELP CC[N@@H+](CC(C)(C)O)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344681038 312270036 /nfs/dbraw/zinc/27/00/36/312270036.db2.gz ZSMGTCFTHHCZJA-ZDUSSCGKSA-N 2 2 330.432 2.497 10 0 EEAELP CC(C)[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1nnc2ccccn21 ZINC000414349346 313001905 /nfs/dbraw/zinc/00/19/05/313001905.db2.gz SOVSLYOVDDKINZ-OAHLLOKOSA-N 2 2 327.436 2.016 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]([NH3+])C3CC3)c2C)cc1 ZINC000414891877 313108148 /nfs/dbraw/zinc/10/81/48/313108148.db2.gz OTWDGHFRBNPKLK-LJQANCHMSA-N 2 2 328.460 2.384 10 0 EEAELP CC[N@H+](CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000416868443 313341360 /nfs/dbraw/zinc/34/13/60/313341360.db2.gz FPVAEKZFLOSINC-SJLPKXTDSA-N 2 2 330.476 2.296 10 0 EEAELP CC[N@@H+](CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000416868443 313341365 /nfs/dbraw/zinc/34/13/65/313341365.db2.gz FPVAEKZFLOSINC-SJLPKXTDSA-N 2 2 330.476 2.296 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417003584 313390248 /nfs/dbraw/zinc/39/02/48/313390248.db2.gz BNNWONHMYWBFEF-UHFFFAOYSA-N 2 2 333.480 2.198 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NCC3([NH3+])CCC3)CC2)s1 ZINC000418531817 313838569 /nfs/dbraw/zinc/83/85/69/313838569.db2.gz XQAWXLNUDLRZNK-UHFFFAOYSA-N 2 2 336.505 2.019 10 0 EEAELP O[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2(CCC2)C1 ZINC000421014609 314026498 /nfs/dbraw/zinc/02/64/98/314026498.db2.gz WFDABCCOBCPYKO-IBGZPJMESA-N 2 2 330.472 2.398 10 0 EEAELP O[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2(CCC2)C1 ZINC000421014609 314026502 /nfs/dbraw/zinc/02/65/02/314026502.db2.gz WFDABCCOBCPYKO-IBGZPJMESA-N 2 2 330.472 2.398 10 0 EEAELP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000525857361 317084504 /nfs/dbraw/zinc/08/45/04/317084504.db2.gz JJBOYDCJCJDYRM-PBHICJAKSA-N 2 2 344.434 2.271 10 0 EEAELP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000527651293 317236557 /nfs/dbraw/zinc/23/65/57/317236557.db2.gz VLLPOPFZCLGIKE-UHFFFAOYSA-N 3 2 325.460 2.087 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527804721 317266144 /nfs/dbraw/zinc/26/61/44/317266144.db2.gz AADCRKOJIHDMHW-SFHVURJKSA-N 2 2 345.487 2.260 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527804721 317266146 /nfs/dbraw/zinc/26/61/46/317266146.db2.gz AADCRKOJIHDMHW-SFHVURJKSA-N 2 2 345.487 2.260 10 0 EEAELP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527804763 317266350 /nfs/dbraw/zinc/26/63/50/317266350.db2.gz BCVBFHFMFSVGAJ-QGZVFWFLSA-N 2 2 337.489 2.165 10 0 EEAELP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527804763 317266351 /nfs/dbraw/zinc/26/63/51/317266351.db2.gz BCVBFHFMFSVGAJ-QGZVFWFLSA-N 2 2 337.489 2.165 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221565 317701076 /nfs/dbraw/zinc/70/10/76/317701076.db2.gz FMXQCGRNHOPITE-AWEZNQCLSA-N 2 2 336.867 2.044 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000567581205 319393259 /nfs/dbraw/zinc/39/32/59/319393259.db2.gz GVDKBWHNUCTXCE-GOSISDBHSA-N 2 2 333.480 2.166 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000567581205 319393262 /nfs/dbraw/zinc/39/32/62/319393262.db2.gz GVDKBWHNUCTXCE-GOSISDBHSA-N 2 2 333.480 2.166 10 0 EEAELP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000569854659 319614833 /nfs/dbraw/zinc/61/48/33/319614833.db2.gz HVUQUWKARCRDKB-IAGOWNOFSA-N 2 2 347.503 2.261 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000570814884 319700859 /nfs/dbraw/zinc/70/08/59/319700859.db2.gz VCJMOCVAXCGWAB-KRWDZBQOSA-N 2 2 347.507 2.459 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000578111062 320294696 /nfs/dbraw/zinc/29/46/96/320294696.db2.gz PMUPWOQLKWHODX-JXFKEZNVSA-N 2 2 343.471 2.338 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000578111062 320294698 /nfs/dbraw/zinc/29/46/98/320294698.db2.gz PMUPWOQLKWHODX-JXFKEZNVSA-N 2 2 343.471 2.338 10 0 EEAELP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1[nH+]ccc2cc(F)ccc21 ZINC000528132405 448441312 /nfs/dbraw/zinc/44/13/12/448441312.db2.gz RIXVDISXEVSIAJ-IBGZPJMESA-N 2 2 345.418 2.402 10 0 EEAELP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1[nH+]ccc2cc(F)ccc21 ZINC000528132405 448441318 /nfs/dbraw/zinc/44/13/18/448441318.db2.gz RIXVDISXEVSIAJ-IBGZPJMESA-N 2 2 345.418 2.402 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000601108663 449694190 /nfs/dbraw/zinc/69/41/90/449694190.db2.gz MDNKRPFZFJTIBH-OAHLLOKOSA-N 2 2 334.464 2.423 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000601108663 449694194 /nfs/dbraw/zinc/69/41/94/449694194.db2.gz MDNKRPFZFJTIBH-OAHLLOKOSA-N 2 2 334.464 2.423 10 0 EEAELP CCC[N@H+](C)C[C@@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000608094508 449748443 /nfs/dbraw/zinc/74/84/43/449748443.db2.gz UNPSNXSHGUICDX-HNNXBMFYSA-N 2 2 343.475 2.202 10 0 EEAELP CCC[N@@H+](C)C[C@@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000608094508 449748449 /nfs/dbraw/zinc/74/84/49/449748449.db2.gz UNPSNXSHGUICDX-HNNXBMFYSA-N 2 2 343.475 2.202 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000339154773 465112035 /nfs/dbraw/zinc/11/20/35/465112035.db2.gz MBPWVIZNONJMMM-SFHVURJKSA-N 2 2 329.419 2.255 10 0 EEAELP c1c(Cc2noc(Cc3cn4c([nH+]3)CCCC4)n2)[nH+]c2ccccn12 ZINC000351401500 465141667 /nfs/dbraw/zinc/14/16/67/465141667.db2.gz CLGLLQUGSDFPAY-UHFFFAOYSA-N 2 2 334.383 2.432 10 0 EEAELP Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000351447157 465160604 /nfs/dbraw/zinc/16/06/04/465160604.db2.gz USSOYFBVBUZAQW-LJQANCHMSA-N 2 2 330.472 2.345 10 0 EEAELP Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000351447157 465160606 /nfs/dbraw/zinc/16/06/06/465160606.db2.gz USSOYFBVBUZAQW-LJQANCHMSA-N 2 2 330.472 2.345 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1CCOC1 ZINC000551984007 468289486 /nfs/dbraw/zinc/28/94/86/468289486.db2.gz MUAHWNXMNCLJBE-VNHYZAJKSA-N 2 2 328.416 2.418 10 0 EEAELP C[C@H]1CCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074125262 462558394 /nfs/dbraw/zinc/55/83/94/462558394.db2.gz PHSHBRILLQGGSN-DLBZAZTESA-N 2 2 336.524 2.425 10 0 EEAELP COC(=O)c1cccc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000064508478 462707567 /nfs/dbraw/zinc/70/75/67/462707567.db2.gz KYTASLMVNJHIML-UHFFFAOYSA-N 2 2 332.444 2.412 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089690818 462709352 /nfs/dbraw/zinc/70/93/52/462709352.db2.gz YNHPEHLMDSBJHU-GOEBONIOSA-N 2 2 347.850 2.318 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089690818 462709356 /nfs/dbraw/zinc/70/93/56/462709356.db2.gz YNHPEHLMDSBJHU-GOEBONIOSA-N 2 2 347.850 2.318 10 0 EEAELP CCO[C@H](C)C(=O)N[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000065622141 462812683 /nfs/dbraw/zinc/81/26/83/462812683.db2.gz WUNCLVZRPLKYAW-APWZRJJASA-N 2 2 347.503 2.295 10 0 EEAELP CCO[C@H](C)C(=O)N[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000065622141 462812686 /nfs/dbraw/zinc/81/26/86/462812686.db2.gz WUNCLVZRPLKYAW-APWZRJJASA-N 2 2 347.503 2.295 10 0 EEAELP CCO[C@H](C)C(=O)N[C@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000065622144 462813631 /nfs/dbraw/zinc/81/36/31/462813631.db2.gz WUNCLVZRPLKYAW-VQIMIIECSA-N 2 2 347.503 2.295 10 0 EEAELP CCO[C@H](C)C(=O)N[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000065622144 462813633 /nfs/dbraw/zinc/81/36/33/462813633.db2.gz WUNCLVZRPLKYAW-VQIMIIECSA-N 2 2 347.503 2.295 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OCC(=O)N(C)C)CC[N@@H+]1C ZINC000093644518 463042377 /nfs/dbraw/zinc/04/23/77/463042377.db2.gz BDIIJXAXOSBGRX-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)Cc2ccccc2OCC(=O)N(C)C)CC[N@H+]1C ZINC000093644518 463042381 /nfs/dbraw/zinc/04/23/81/463042381.db2.gz BDIIJXAXOSBGRX-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)CC[NH+]1C ZINC000093644518 463042386 /nfs/dbraw/zinc/04/23/86/463042386.db2.gz BDIIJXAXOSBGRX-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCC(=O)N(C)C)CC[NH+]1C ZINC000093644518 463042390 /nfs/dbraw/zinc/04/23/90/463042390.db2.gz BDIIJXAXOSBGRX-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)CCO1 ZINC000135000785 463105746 /nfs/dbraw/zinc/10/57/46/463105746.db2.gz FRJOMTPJBWBMQS-QGZVFWFLSA-N 2 2 345.487 2.225 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)CCO1 ZINC000135000785 463105749 /nfs/dbraw/zinc/10/57/49/463105749.db2.gz FRJOMTPJBWBMQS-QGZVFWFLSA-N 2 2 345.487 2.225 10 0 EEAELP CS[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C1 ZINC000095968140 463119113 /nfs/dbraw/zinc/11/91/13/463119113.db2.gz KPIUUROGQVJZFA-QZTJIDSGSA-N 2 2 341.565 2.047 10 0 EEAELP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000095968140 463119115 /nfs/dbraw/zinc/11/91/15/463119115.db2.gz KPIUUROGQVJZFA-QZTJIDSGSA-N 2 2 341.565 2.047 10 0 EEAELP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000078965836 463173292 /nfs/dbraw/zinc/17/32/92/463173292.db2.gz KGWQVDKTCZBHSW-GOSISDBHSA-N 2 2 347.422 2.158 10 0 EEAELP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000078965836 463173300 /nfs/dbraw/zinc/17/33/00/463173300.db2.gz KGWQVDKTCZBHSW-GOSISDBHSA-N 2 2 347.422 2.158 10 0 EEAELP Cc1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000079112682 463190527 /nfs/dbraw/zinc/19/05/27/463190527.db2.gz BPLKCVDROHGDBE-UHFFFAOYSA-N 2 2 344.438 2.097 10 0 EEAELP Cc1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000079112682 463190531 /nfs/dbraw/zinc/19/05/31/463190531.db2.gz BPLKCVDROHGDBE-UHFFFAOYSA-N 2 2 344.438 2.097 10 0 EEAELP COc1c(C)cnc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000136065375 463216823 /nfs/dbraw/zinc/21/68/23/463216823.db2.gz DNSPAQAMMNPARZ-SFHVURJKSA-N 2 2 346.519 2.309 10 0 EEAELP COc1c(C)cnc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000136065375 463216826 /nfs/dbraw/zinc/21/68/26/463216826.db2.gz DNSPAQAMMNPARZ-SFHVURJKSA-N 2 2 346.519 2.309 10 0 EEAELP CC1CC[NH+](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000136826537 463260697 /nfs/dbraw/zinc/26/06/97/463260697.db2.gz USRFDOHUUGLOAS-QGZVFWFLSA-N 2 2 347.507 2.116 10 0 EEAELP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC000079934063 463263307 /nfs/dbraw/zinc/26/33/07/463263307.db2.gz KRENDYOQLHBQFP-MRXNPFEDSA-N 2 2 326.444 2.431 10 0 EEAELP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)Cn2cc[nH+]c2)C1 ZINC000079934063 463263312 /nfs/dbraw/zinc/26/33/12/463263312.db2.gz KRENDYOQLHBQFP-MRXNPFEDSA-N 2 2 326.444 2.431 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[N@@H+]1C ZINC000123622224 463356477 /nfs/dbraw/zinc/35/64/77/463356477.db2.gz SGCHNCMKYNKSPM-WMZOPIPTSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[N@H+]1C ZINC000123622224 463356481 /nfs/dbraw/zinc/35/64/81/463356481.db2.gz SGCHNCMKYNKSPM-WMZOPIPTSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[NH+]1C ZINC000123622224 463356487 /nfs/dbraw/zinc/35/64/87/463356487.db2.gz SGCHNCMKYNKSPM-WMZOPIPTSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[NH+]1C ZINC000123622224 463356494 /nfs/dbraw/zinc/35/64/94/463356494.db2.gz SGCHNCMKYNKSPM-WMZOPIPTSA-N 2 2 329.488 2.249 10 0 EEAELP Cc1cc2[nH+]cn(CC(=O)NC3CC[NH+](C4CC4)CC3)c2cc1C ZINC000124524457 463432726 /nfs/dbraw/zinc/43/27/26/463432726.db2.gz KZEYXBIGMCSWRJ-UHFFFAOYSA-N 2 2 326.444 2.396 10 0 EEAELP CN(C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1[nH]c2ccccc2[nH+]1 ZINC000151911002 463612059 /nfs/dbraw/zinc/61/20/59/463612059.db2.gz ZISXXKWEVRXEFL-QGZVFWFLSA-N 2 2 336.439 2.418 10 0 EEAELP CN(C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1[nH]c2ccccc2[nH+]1 ZINC000151911002 463612066 /nfs/dbraw/zinc/61/20/66/463612066.db2.gz ZISXXKWEVRXEFL-QGZVFWFLSA-N 2 2 336.439 2.418 10 0 EEAELP CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000579553995 468372832 /nfs/dbraw/zinc/37/28/32/468372832.db2.gz QGXFEFIXOLCJIY-ZDUSSCGKSA-N 2 2 339.486 2.333 10 0 EEAELP CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000579553995 468372835 /nfs/dbraw/zinc/37/28/35/468372835.db2.gz QGXFEFIXOLCJIY-ZDUSSCGKSA-N 2 2 339.486 2.333 10 0 EEAELP Cn1cc(C[N@H+](CC[NH3+])CCc2ccccc2)c(-c2ccncc2)n1 ZINC000262075450 463940511 /nfs/dbraw/zinc/94/05/11/463940511.db2.gz SOGNGLVKQOIMAR-UHFFFAOYSA-N 2 2 335.455 2.486 10 0 EEAELP Cn1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)c(-c2ccncc2)n1 ZINC000262075450 463940513 /nfs/dbraw/zinc/94/05/13/463940513.db2.gz SOGNGLVKQOIMAR-UHFFFAOYSA-N 2 2 335.455 2.486 10 0 EEAELP c1[nH]nc2c1C[C@@H]([NH2+]CC1(C[NH+]3CCOCC3)CCCCC1)CC2 ZINC000178930120 464018202 /nfs/dbraw/zinc/01/82/02/464018202.db2.gz PVIPYBUJOKJZCX-KRWDZBQOSA-N 2 2 332.492 2.139 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)cn21 ZINC000173210863 464211320 /nfs/dbraw/zinc/21/13/20/464211320.db2.gz YCJMFBJBZMZBIR-ZXFUBFMLSA-N 2 2 341.459 2.457 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)cn21 ZINC000173210863 464211325 /nfs/dbraw/zinc/21/13/25/464211325.db2.gz YCJMFBJBZMZBIR-ZXFUBFMLSA-N 2 2 341.459 2.457 10 0 EEAELP CN(C)c1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c[nH+]1 ZINC000264501212 464350863 /nfs/dbraw/zinc/35/08/63/464350863.db2.gz RKYFGKHYPYNJRA-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893869 464561402 /nfs/dbraw/zinc/56/14/02/464561402.db2.gz LEKHDRDWHLHILN-SNRMKQJTSA-N 2 2 345.443 2.079 10 0 EEAELP CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644900 464777726 /nfs/dbraw/zinc/77/77/26/464777726.db2.gz FWOQOEUBYCZHSF-AEFFLSMTSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644900 464777730 /nfs/dbraw/zinc/77/77/30/464777730.db2.gz FWOQOEUBYCZHSF-AEFFLSMTSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644900 464777731 /nfs/dbraw/zinc/77/77/31/464777731.db2.gz FWOQOEUBYCZHSF-AEFFLSMTSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248644900 464777737 /nfs/dbraw/zinc/77/77/37/464777737.db2.gz FWOQOEUBYCZHSF-AEFFLSMTSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644902 464778032 /nfs/dbraw/zinc/77/80/32/464778032.db2.gz FWOQOEUBYCZHSF-WMZOPIPTSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248644902 464778038 /nfs/dbraw/zinc/77/80/38/464778038.db2.gz FWOQOEUBYCZHSF-WMZOPIPTSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248644902 464778042 /nfs/dbraw/zinc/77/80/42/464778042.db2.gz FWOQOEUBYCZHSF-WMZOPIPTSA-N 2 2 332.492 2.091 10 0 EEAELP CC(C)N(C)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248644902 464778046 /nfs/dbraw/zinc/77/80/46/464778046.db2.gz FWOQOEUBYCZHSF-WMZOPIPTSA-N 2 2 332.492 2.091 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266753653 464809649 /nfs/dbraw/zinc/80/96/49/464809649.db2.gz OPIBXNNPSFLQES-UHFFFAOYSA-N 2 2 342.443 2.256 10 0 EEAELP Cc1cncc(C[N@H+](C)C[C@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000253428390 465012151 /nfs/dbraw/zinc/01/21/51/465012151.db2.gz PWTGBJQEVWGMBK-NRFANRHFSA-N 2 2 339.483 2.284 10 0 EEAELP Cc1cncc(C[N@@H+](C)C[C@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000253428390 465012154 /nfs/dbraw/zinc/01/21/54/465012154.db2.gz PWTGBJQEVWGMBK-NRFANRHFSA-N 2 2 339.483 2.284 10 0 EEAELP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCOc1ccccc1 ZINC000276645851 465014061 /nfs/dbraw/zinc/01/40/61/465014061.db2.gz XYEBBVAFSZNDNI-IRXDYDNUSA-N 2 2 346.450 2.343 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1Cl ZINC000597057415 468429737 /nfs/dbraw/zinc/42/97/37/468429737.db2.gz LKNGDRSQZOHBQS-CYBMUJFWSA-N 2 2 340.851 2.185 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[N@@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000330126793 465541865 /nfs/dbraw/zinc/54/18/65/465541865.db2.gz IUWGYOCYYLGJPG-NUJGCVRESA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[N@H+]3CCC[C@@H]3C2)cc[nH+]1 ZINC000330126793 465541869 /nfs/dbraw/zinc/54/18/69/465541869.db2.gz IUWGYOCYYLGJPG-NUJGCVRESA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000343701599 465544685 /nfs/dbraw/zinc/54/46/85/465544685.db2.gz WIJOQYYUGCGWKO-KRWDZBQOSA-N 2 2 336.524 2.377 10 0 EEAELP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)o1 ZINC000361043102 465726265 /nfs/dbraw/zinc/72/62/65/465726265.db2.gz NPKLKRGFWMSBJQ-BMFZPTHFSA-N 2 2 342.443 2.417 10 0 EEAELP FC(F)Oc1cc2c(cc1C[NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)OCO2 ZINC000353251483 465744494 /nfs/dbraw/zinc/74/44/94/465744494.db2.gz QYJKAMCNJMWWMS-SNVBAGLBSA-N 2 2 337.326 2.387 10 0 EEAELP FC(F)Oc1cc2c(cc1C[NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)OCO2 ZINC000353251483 465744501 /nfs/dbraw/zinc/74/45/01/465744501.db2.gz QYJKAMCNJMWWMS-SNVBAGLBSA-N 2 2 337.326 2.387 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC(C)=C(c3ccco3)C2)CC1 ZINC000338362212 466060238 /nfs/dbraw/zinc/06/02/38/466060238.db2.gz XNHDKCUCXOAWBM-INIZCTEOSA-N 2 2 331.460 2.311 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC(C)=C(c3ccco3)C2)CC1 ZINC000338362212 466060244 /nfs/dbraw/zinc/06/02/44/466060244.db2.gz XNHDKCUCXOAWBM-INIZCTEOSA-N 2 2 331.460 2.311 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000361529410 466076540 /nfs/dbraw/zinc/07/65/40/466076540.db2.gz DZAZOZINDLYOAI-HZPDHXFCSA-N 2 2 346.475 2.002 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000338758255 466360649 /nfs/dbraw/zinc/36/06/49/466360649.db2.gz PARLZMZZHDVOEA-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000338758255 466360662 /nfs/dbraw/zinc/36/06/62/466360662.db2.gz PARLZMZZHDVOEA-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP C(C[NH+]1CCOCC1)N1CCC([NH2+]C[C@@H]2CC3CCC2CC3)CC1 ZINC000569485631 468498934 /nfs/dbraw/zinc/49/89/34/468498934.db2.gz VXVHNMHKILRFQH-ACBHZAAOSA-N 2 2 335.536 2.199 10 0 EEAELP C(C[NH+]1CCC([NH2+]C[C@@H]2CC3CCC2CC3)CC1)N1CCOCC1 ZINC000569485631 468498940 /nfs/dbraw/zinc/49/89/40/468498940.db2.gz VXVHNMHKILRFQH-ACBHZAAOSA-N 2 2 335.536 2.199 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324410324 466646849 /nfs/dbraw/zinc/64/68/49/466646849.db2.gz VOMXXSGYKMBSRC-KBAYOESNSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324410324 466646851 /nfs/dbraw/zinc/64/68/51/466646851.db2.gz VOMXXSGYKMBSRC-KBAYOESNSA-N 2 2 327.472 2.428 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CN1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408523973 466678463 /nfs/dbraw/zinc/67/84/63/466678463.db2.gz WRSIZNJKQXJOQU-IAGOWNOFSA-N 2 2 330.476 2.229 10 0 EEAELP C[N@H+]1CCC[C@@H]1CN1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408523973 466678468 /nfs/dbraw/zinc/67/84/68/466678468.db2.gz WRSIZNJKQXJOQU-IAGOWNOFSA-N 2 2 330.476 2.229 10 0 EEAELP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000415962188 466717136 /nfs/dbraw/zinc/71/71/36/466717136.db2.gz WPXDHJFBOWMVTQ-LSDHHAIUSA-N 2 2 334.464 2.027 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1nccs1 ZINC000370305120 466830915 /nfs/dbraw/zinc/83/09/15/466830915.db2.gz GLJYCKDZMKXRSO-ZDUSSCGKSA-N 2 2 345.472 2.494 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)Nc1nccs1 ZINC000370305120 466830917 /nfs/dbraw/zinc/83/09/17/466830917.db2.gz GLJYCKDZMKXRSO-ZDUSSCGKSA-N 2 2 345.472 2.494 10 0 EEAELP c1ccc(N2CC[NH+](CCC[N@H+]3CCO[C@@H](C4CC4)C3)CC2)cc1 ZINC000375688049 466862385 /nfs/dbraw/zinc/86/23/85/466862385.db2.gz ILLXSEMCZLLXGI-HXUWFJFHSA-N 2 2 329.488 2.310 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H](C)[NH3+] ZINC000423830394 466865439 /nfs/dbraw/zinc/86/54/39/466865439.db2.gz QAJLUSNSNLBEMB-JKEMJCCQSA-N 2 2 339.430 2.446 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[C@@H](C)[NH3+] ZINC000423830394 466865443 /nfs/dbraw/zinc/86/54/43/466865443.db2.gz QAJLUSNSNLBEMB-JKEMJCCQSA-N 2 2 339.430 2.446 10 0 EEAELP CCOC(=O)C1(COC)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000373810086 466927163 /nfs/dbraw/zinc/92/71/63/466927163.db2.gz LHTLZNIXBMJAFH-UHFFFAOYSA-N 2 2 326.481 2.154 10 0 EEAELP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000417835513 466951020 /nfs/dbraw/zinc/95/10/20/466951020.db2.gz GHKWBTWKLNBERD-CABCVRRESA-N 2 2 329.448 2.051 10 0 EEAELP CC(C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000370680353 466963202 /nfs/dbraw/zinc/96/32/02/466963202.db2.gz GJXPJEJDTHKKQL-CRAIPNDOSA-N 2 2 347.507 2.323 10 0 EEAELP CC(C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000370680353 466963207 /nfs/dbraw/zinc/96/32/07/466963207.db2.gz GJXPJEJDTHKKQL-CRAIPNDOSA-N 2 2 347.507 2.323 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417943140 466996188 /nfs/dbraw/zinc/99/61/88/466996188.db2.gz OMGLPAVILMUDGG-HUUCEWRRSA-N 2 2 342.846 2.085 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417943140 466996191 /nfs/dbraw/zinc/99/61/91/466996191.db2.gz OMGLPAVILMUDGG-HUUCEWRRSA-N 2 2 342.846 2.085 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000418604652 467135067 /nfs/dbraw/zinc/13/50/67/467135067.db2.gz XWNXVTYPQUMZEV-WBVHZDCISA-N 2 2 341.459 2.071 10 0 EEAELP O=C(NCCC[NH2+]C1CC1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414747063 467433362 /nfs/dbraw/zinc/43/33/62/467433362.db2.gz GQONULKMVUJSMF-UHFFFAOYSA-N 2 2 337.493 2.393 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccnn1-c1ccccc1 ZINC000453258590 467471949 /nfs/dbraw/zinc/47/19/49/467471949.db2.gz HWSUAKWGHFKQMB-SJLPKXTDSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccnn1-c1ccccc1 ZINC000453258590 467471951 /nfs/dbraw/zinc/47/19/51/467471951.db2.gz HWSUAKWGHFKQMB-SJLPKXTDSA-N 2 2 328.460 2.370 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000405328500 467480854 /nfs/dbraw/zinc/48/08/54/467480854.db2.gz FCPFMVDFYIYXOC-BXUZGUMPSA-N 2 2 331.229 2.384 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)C[C@H]1C[NH3+] ZINC000405328500 467480860 /nfs/dbraw/zinc/48/08/60/467480860.db2.gz FCPFMVDFYIYXOC-BXUZGUMPSA-N 2 2 331.229 2.384 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449147771 467620973 /nfs/dbraw/zinc/62/09/73/467620973.db2.gz RKKMHSARRLVQSV-CVEARBPZSA-N 2 2 338.517 2.105 10 0 EEAELP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000449511801 467654445 /nfs/dbraw/zinc/65/44/45/467654445.db2.gz OABBNYFXUMMUOK-MSOLQXFVSA-N 2 2 331.460 2.367 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)NCCc1cn(C)c[nH+]1)c1ccsc1 ZINC000457691338 467680049 /nfs/dbraw/zinc/68/00/49/467680049.db2.gz PZRARTMOPDHMKT-INIZCTEOSA-N 2 2 349.504 2.406 10 0 EEAELP CCc1ccc2[nH+]ccc(NCC(C)(C)[NH+]3CCS(=O)CC3)c2c1 ZINC000450351390 467833794 /nfs/dbraw/zinc/83/37/94/467833794.db2.gz SVLGMQAZQCDLQA-UHFFFAOYSA-N 2 2 345.512 2.474 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514938363 467964606 /nfs/dbraw/zinc/96/46/06/467964606.db2.gz GNXGQJHNQQYCIN-JXXFODFXSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514938363 467964609 /nfs/dbraw/zinc/96/46/09/467964609.db2.gz GNXGQJHNQQYCIN-JXXFODFXSA-N 2 2 327.472 2.428 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000530389018 467980907 /nfs/dbraw/zinc/98/09/07/467980907.db2.gz LYCCVIFTAYAZHE-MSOLQXFVSA-N 2 2 340.427 2.146 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000530389018 467980909 /nfs/dbraw/zinc/98/09/09/467980909.db2.gz LYCCVIFTAYAZHE-MSOLQXFVSA-N 2 2 340.427 2.146 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000520226379 468235989 /nfs/dbraw/zinc/23/59/89/468235989.db2.gz NHDQHJDDSWZZEI-LJQANCHMSA-N 2 2 326.444 2.337 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@H+]3[C@H](C)CCC[C@@H]3C)nc[nH+]2)C1 ZINC000583011192 468629606 /nfs/dbraw/zinc/62/96/06/468629606.db2.gz OHYVBWLGWHVNQS-VVLHAWIVSA-N 2 2 347.507 2.359 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@@H+]3[C@H](C)CCC[C@@H]3C)nc[nH+]2)C1 ZINC000583011192 468629607 /nfs/dbraw/zinc/62/96/07/468629607.db2.gz OHYVBWLGWHVNQS-VVLHAWIVSA-N 2 2 347.507 2.359 10 0 EEAELP CC[C@@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@H]1CCCCO1 ZINC000594611990 468637154 /nfs/dbraw/zinc/63/71/54/468637154.db2.gz RUSQZCCAKJLJHR-IAGOWNOFSA-N 2 2 326.481 2.341 10 0 EEAELP C[C@@](C[NH3+])(NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000583552436 468714882 /nfs/dbraw/zinc/71/48/82/468714882.db2.gz BIIXAKRZUCSNAR-INIZCTEOSA-N 2 2 337.493 2.378 10 0 EEAELP CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601229817 468791301 /nfs/dbraw/zinc/79/13/01/468791301.db2.gz DIYYQUIJNWIMTO-QGZVFWFLSA-N 2 2 343.475 2.060 10 0 EEAELP CN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000601229817 468791304 /nfs/dbraw/zinc/79/13/04/468791304.db2.gz DIYYQUIJNWIMTO-QGZVFWFLSA-N 2 2 343.475 2.060 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000562668597 469027297 /nfs/dbraw/zinc/02/72/97/469027297.db2.gz UPUPFEDFBJITMC-FUHWJXTLSA-N 2 2 333.476 2.149 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000562668597 469027304 /nfs/dbraw/zinc/02/73/04/469027304.db2.gz UPUPFEDFBJITMC-FUHWJXTLSA-N 2 2 333.476 2.149 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(F)c1 ZINC000595907025 469077044 /nfs/dbraw/zinc/07/70/44/469077044.db2.gz QTEHXLMBMQLLCA-MRXNPFEDSA-N 2 2 338.423 2.155 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(F)c1 ZINC000595907025 469077049 /nfs/dbraw/zinc/07/70/49/469077049.db2.gz QTEHXLMBMQLLCA-MRXNPFEDSA-N 2 2 338.423 2.155 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC12CC(C1)C[NH2+]2 ZINC000596105974 469157749 /nfs/dbraw/zinc/15/77/49/469157749.db2.gz OHVCJRNLPBJOQX-UHFFFAOYSA-N 2 2 330.384 2.070 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000616207856 469398020 /nfs/dbraw/zinc/39/80/20/469398020.db2.gz NWEUIXRYTKFFDR-GOSISDBHSA-N 2 2 340.471 2.034 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1 ZINC000616207856 469398028 /nfs/dbraw/zinc/39/80/28/469398028.db2.gz NWEUIXRYTKFFDR-GOSISDBHSA-N 2 2 340.471 2.034 10 0 EEAELP FC(F)(F)Cn1ccnc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000603517272 469405814 /nfs/dbraw/zinc/40/58/14/469405814.db2.gz MGLCMIUHBLWMAQ-CQSZACIVSA-N 2 2 346.397 2.178 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629384738 469525976 /nfs/dbraw/zinc/52/59/76/469525976.db2.gz BNZKKHLDQUWWFV-UHFFFAOYSA-N 2 2 328.460 2.154 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629384738 469525979 /nfs/dbraw/zinc/52/59/79/469525979.db2.gz BNZKKHLDQUWWFV-UHFFFAOYSA-N 2 2 328.460 2.154 10 0 EEAELP Cn1cc(-c2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)on2)cn1 ZINC000629565144 469581425 /nfs/dbraw/zinc/58/14/25/469581425.db2.gz VLORGMDQUUSWKW-GWCFXTLKSA-N 2 2 343.353 2.034 10 0 EEAELP Cn1cc(-c2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)on2)cn1 ZINC000629565144 469581429 /nfs/dbraw/zinc/58/14/29/469581429.db2.gz VLORGMDQUUSWKW-GWCFXTLKSA-N 2 2 343.353 2.034 10 0 EEAELP C[C@@H](Cc1ccco1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000613007211 469606443 /nfs/dbraw/zinc/60/64/43/469606443.db2.gz ZQSONDLFICGRJD-XNHLSEOASA-N 2 2 345.487 2.228 10 0 EEAELP C[C@@H](Cc1ccco1)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000613007211 469606447 /nfs/dbraw/zinc/60/64/47/469606447.db2.gz ZQSONDLFICGRJD-XNHLSEOASA-N 2 2 345.487 2.228 10 0 EEAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623398287 469642665 /nfs/dbraw/zinc/64/26/65/469642665.db2.gz BHHLUJURRIDTIT-HIFRSBDPSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623398287 469642668 /nfs/dbraw/zinc/64/26/68/469642668.db2.gz BHHLUJURRIDTIT-HIFRSBDPSA-N 2 2 339.505 2.118 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623627975 469715297 /nfs/dbraw/zinc/71/52/97/469715297.db2.gz XQHYEUQYLFRLAT-INIZCTEOSA-N 2 2 331.464 2.200 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000623627975 469715302 /nfs/dbraw/zinc/71/53/02/469715302.db2.gz XQHYEUQYLFRLAT-INIZCTEOSA-N 2 2 331.464 2.200 10 0 EEAELP C[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[NH2+]1 ZINC000626931555 469759204 /nfs/dbraw/zinc/75/92/04/469759204.db2.gz IXUCSWJBSRBDOX-RDJZCZTQSA-N 2 2 345.491 2.402 10 0 EEAELP Cn1cc[nH+]c1C[C@H](Nc1[nH+]cnc2c1cnn2C)c1ccccc1 ZINC000608094158 469770641 /nfs/dbraw/zinc/77/06/41/469770641.db2.gz JDDUBGUVBQJASA-HNNXBMFYSA-N 2 2 333.399 2.493 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(OC(F)F)c(F)c1 ZINC000617763005 469794436 /nfs/dbraw/zinc/79/44/36/469794436.db2.gz ABPVJDVNZNSFKD-UHFFFAOYSA-N 2 2 347.381 2.040 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(OC(F)F)c(F)c1 ZINC000617763005 469794439 /nfs/dbraw/zinc/79/44/39/469794439.db2.gz ABPVJDVNZNSFKD-UHFFFAOYSA-N 2 2 347.381 2.040 10 0 EEAELP COc1ccc2c(c1)[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC2 ZINC000617763014 469794749 /nfs/dbraw/zinc/79/47/49/469794749.db2.gz ALKJBWPXZPACOI-GOSISDBHSA-N 2 2 347.503 2.115 10 0 EEAELP COc1ccc2c(c1)[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC2 ZINC000617763014 469794754 /nfs/dbraw/zinc/79/47/54/469794754.db2.gz ALKJBWPXZPACOI-GOSISDBHSA-N 2 2 347.503 2.115 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000617765993 469797284 /nfs/dbraw/zinc/79/72/84/469797284.db2.gz YNNVBNRFSWLMED-UHFFFAOYSA-N 2 2 335.492 2.477 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000617765993 469797289 /nfs/dbraw/zinc/79/72/89/469797289.db2.gz YNNVBNRFSWLMED-UHFFFAOYSA-N 2 2 335.492 2.477 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624020145 469818749 /nfs/dbraw/zinc/81/87/49/469818749.db2.gz JBERXTUQIPUFFH-FCGDIQPGSA-N 2 2 340.471 2.239 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624020145 469818756 /nfs/dbraw/zinc/81/87/56/469818756.db2.gz JBERXTUQIPUFFH-FCGDIQPGSA-N 2 2 340.471 2.239 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCCc2ccco2)([NH+]2CCCCC2)CC1 ZINC000608622225 469846758 /nfs/dbraw/zinc/84/67/58/469846758.db2.gz CHHZSQVPAKAUBD-UHFFFAOYSA-N 2 2 348.491 2.072 10 0 EEAELP C[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000608652317 469854134 /nfs/dbraw/zinc/85/41/34/469854134.db2.gz JLNKIMMADGRURC-INIZCTEOSA-N 2 2 336.524 2.282 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC000624427966 469936361 /nfs/dbraw/zinc/93/63/61/469936361.db2.gz ROAJKVBXRSOJRI-WBVHZDCISA-N 2 2 344.434 2.312 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCC2CC=CC2)([NH+]2CCCCC2)CC1 ZINC000624540199 469970892 /nfs/dbraw/zinc/97/08/92/469970892.db2.gz PMEZXNXGOOUDPS-UHFFFAOYSA-N 2 2 334.508 2.202 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631062275 470061254 /nfs/dbraw/zinc/06/12/54/470061254.db2.gz RYMOLAGNMWJHNC-SFHVURJKSA-N 2 2 347.503 2.364 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631062275 470061256 /nfs/dbraw/zinc/06/12/56/470061256.db2.gz RYMOLAGNMWJHNC-SFHVURJKSA-N 2 2 347.503 2.364 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)n(CC2CCC2)n1 ZINC000631075238 470062597 /nfs/dbraw/zinc/06/25/97/470062597.db2.gz ONKUXKSZUOATBQ-QGZVFWFLSA-N 2 2 332.492 2.274 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC[N@@H+]1C ZINC000631308786 470116424 /nfs/dbraw/zinc/11/64/24/470116424.db2.gz HIQABSOPQZMLJY-BPQIPLTHSA-N 2 2 330.476 2.017 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC[N@H+]1C ZINC000631308786 470116426 /nfs/dbraw/zinc/11/64/26/470116426.db2.gz HIQABSOPQZMLJY-BPQIPLTHSA-N 2 2 330.476 2.017 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000631469921 470147931 /nfs/dbraw/zinc/14/79/31/470147931.db2.gz VJPQQGZLYSTPLK-QAPCUYQASA-N 2 2 326.444 2.356 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000631469921 470147933 /nfs/dbraw/zinc/14/79/33/470147933.db2.gz VJPQQGZLYSTPLK-QAPCUYQASA-N 2 2 326.444 2.356 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC3CCC(F)(F)CC3)C2)CC1 ZINC000625521085 470160142 /nfs/dbraw/zinc/16/01/42/470160142.db2.gz DWRMSJAEAWKMKZ-OAHLLOKOSA-N 2 2 343.462 2.487 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC3CCC(F)(F)CC3)C2)CC1 ZINC000625521085 470160144 /nfs/dbraw/zinc/16/01/44/470160144.db2.gz DWRMSJAEAWKMKZ-OAHLLOKOSA-N 2 2 343.462 2.487 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000631842707 470187032 /nfs/dbraw/zinc/18/70/32/470187032.db2.gz DSMGCRZQFUSKTF-VXGBXAGGSA-N 2 2 340.265 2.223 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1Br ZINC000631842707 470187033 /nfs/dbraw/zinc/18/70/33/470187033.db2.gz DSMGCRZQFUSKTF-VXGBXAGGSA-N 2 2 340.265 2.223 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N(Cc1ccccc1)C1CC1 ZINC000631886730 470189489 /nfs/dbraw/zinc/18/94/89/470189489.db2.gz JOLZJBAXGWXXST-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)N(Cc1ccccc1)C1CC1 ZINC000631886730 470189490 /nfs/dbraw/zinc/18/94/90/470189490.db2.gz JOLZJBAXGWXXST-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N[C@@H]1CCCc2ccccc21 ZINC000631888120 470189718 /nfs/dbraw/zinc/18/97/18/470189718.db2.gz WNEPIHSZDNNDMJ-BHIYHBOVSA-N 2 2 327.472 2.254 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N[C@@H]1CCCc2ccccc21 ZINC000631888120 470189719 /nfs/dbraw/zinc/18/97/19/470189719.db2.gz WNEPIHSZDNNDMJ-BHIYHBOVSA-N 2 2 327.472 2.254 10 0 EEAELP CC[C@H](C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000634642591 470273406 /nfs/dbraw/zinc/27/34/06/470273406.db2.gz NASKKTPOAOPASL-QHAWAJNXSA-N 2 2 346.515 2.325 10 0 EEAELP CC[C@H](C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000634642591 470273408 /nfs/dbraw/zinc/27/34/08/470273408.db2.gz NASKKTPOAOPASL-QHAWAJNXSA-N 2 2 346.515 2.325 10 0 EEAELP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1)[NH+](C)C ZINC000634711787 470284123 /nfs/dbraw/zinc/28/41/23/470284123.db2.gz UNZCKAKEANVLPZ-RKOGWWSCSA-N 2 2 334.504 2.488 10 0 EEAELP c1cn2c([nH+]1)C[C@@H]([NH2+]Cc1nnn(-c3ccccc3)c1C1CC1)CC2 ZINC000639070571 470374539 /nfs/dbraw/zinc/37/45/39/470374539.db2.gz AMGDTNMGQAAOIR-HNNXBMFYSA-N 2 2 334.427 2.446 10 0 EEAELP [NH3+][C@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc(Cl)c1 ZINC000649320700 470544334 /nfs/dbraw/zinc/54/43/34/470544334.db2.gz XPECGHPDKWIMFW-LBPRGKRZSA-N 2 2 346.740 2.415 10 0 EEAELP COc1ncncc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000647179425 470850886 /nfs/dbraw/zinc/85/08/86/470850886.db2.gz YZHZKJDUACJLNY-QGZVFWFLSA-N 2 2 326.444 2.139 10 0 EEAELP COc1ncncc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000647179425 470850894 /nfs/dbraw/zinc/85/08/94/470850894.db2.gz YZHZKJDUACJLNY-QGZVFWFLSA-N 2 2 326.444 2.139 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815243 470990703 /nfs/dbraw/zinc/99/07/03/470990703.db2.gz VRVIYRUTAATOPM-UHFFFAOYSA-N 2 2 335.414 2.250 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647815243 470990705 /nfs/dbraw/zinc/99/07/05/470990705.db2.gz VRVIYRUTAATOPM-UHFFFAOYSA-N 2 2 335.414 2.250 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900700 471011745 /nfs/dbraw/zinc/01/17/45/471011745.db2.gz FIARHAOBCBYNNO-MPGHIAIKSA-N 2 2 331.460 2.486 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900700 471011747 /nfs/dbraw/zinc/01/17/47/471011747.db2.gz FIARHAOBCBYNNO-MPGHIAIKSA-N 2 2 331.460 2.486 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000651193091 471084880 /nfs/dbraw/zinc/08/48/80/471084880.db2.gz KTDSLZMWRFAYAX-IRXDYDNUSA-N 2 2 335.496 2.454 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000651193091 471084883 /nfs/dbraw/zinc/08/48/83/471084883.db2.gz KTDSLZMWRFAYAX-IRXDYDNUSA-N 2 2 335.496 2.454 10 0 EEAELP CSc1cccnc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651315617 471124977 /nfs/dbraw/zinc/12/49/77/471124977.db2.gz ZYEOJSTYNYFKGT-HNNXBMFYSA-N 2 2 348.516 2.044 10 0 EEAELP CSc1cccnc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651315617 471124980 /nfs/dbraw/zinc/12/49/80/471124980.db2.gz ZYEOJSTYNYFKGT-HNNXBMFYSA-N 2 2 348.516 2.044 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@H+]3CCCC[C@H]3C)cn21 ZINC000645157267 471156759 /nfs/dbraw/zinc/15/67/59/471156759.db2.gz ORUWUIIBJVMHPU-OAHLLOKOSA-N 2 2 343.475 2.359 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@@H+]3CCCC[C@H]3C)cn21 ZINC000645157267 471156767 /nfs/dbraw/zinc/15/67/67/471156767.db2.gz ORUWUIIBJVMHPU-OAHLLOKOSA-N 2 2 343.475 2.359 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000652285068 471266790 /nfs/dbraw/zinc/26/67/90/471266790.db2.gz KTDLHIWOMHTVAB-MRXNPFEDSA-N 2 2 327.432 2.218 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C[C@H]1C[NH3+] ZINC000652357996 471278514 /nfs/dbraw/zinc/27/85/14/471278514.db2.gz WMIIXAKEFUGLLQ-IIDMSEBBSA-N 2 2 333.476 2.433 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C[C@H]1C[NH3+] ZINC000652357996 471278515 /nfs/dbraw/zinc/27/85/15/471278515.db2.gz WMIIXAKEFUGLLQ-IIDMSEBBSA-N 2 2 333.476 2.433 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658340551 471290561 /nfs/dbraw/zinc/29/05/61/471290561.db2.gz CIVDGBFOLGXUHM-RTBURBONSA-N 2 2 329.488 2.104 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658340551 471290564 /nfs/dbraw/zinc/29/05/64/471290564.db2.gz CIVDGBFOLGXUHM-RTBURBONSA-N 2 2 329.488 2.104 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000660493908 471365556 /nfs/dbraw/zinc/36/55/56/471365556.db2.gz KZZVPRILYDHVNV-MRXNPFEDSA-N 2 2 341.446 2.178 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000660493908 471365561 /nfs/dbraw/zinc/36/55/61/471365561.db2.gz KZZVPRILYDHVNV-MRXNPFEDSA-N 2 2 341.446 2.178 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000660493908 471365565 /nfs/dbraw/zinc/36/55/65/471365565.db2.gz KZZVPRILYDHVNV-MRXNPFEDSA-N 2 2 341.446 2.178 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000660493908 471365570 /nfs/dbraw/zinc/36/55/70/471365570.db2.gz KZZVPRILYDHVNV-MRXNPFEDSA-N 2 2 341.446 2.178 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663576298 471434190 /nfs/dbraw/zinc/43/41/90/471434190.db2.gz UPTMGUIZQIMKCF-MRXNPFEDSA-N 2 2 339.487 2.423 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663576298 471434194 /nfs/dbraw/zinc/43/41/94/471434194.db2.gz UPTMGUIZQIMKCF-MRXNPFEDSA-N 2 2 339.487 2.423 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N(CC)[C@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000663588333 471439200 /nfs/dbraw/zinc/43/92/00/471439200.db2.gz JLONWBQQHBYMJC-INIZCTEOSA-N 2 2 333.480 2.163 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000663588333 471439204 /nfs/dbraw/zinc/43/92/04/471439204.db2.gz JLONWBQQHBYMJC-INIZCTEOSA-N 2 2 333.480 2.163 10 0 EEAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653124096 471500200 /nfs/dbraw/zinc/50/02/00/471500200.db2.gz QQHLIZJGPZCYCK-ROUUACIJSA-N 2 2 338.455 2.273 10 0 EEAELP CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000655928467 471545063 /nfs/dbraw/zinc/54/50/63/471545063.db2.gz TXOKHZPLAWCHRI-VXGBXAGGSA-N 2 2 341.337 2.030 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C3CC3)C3CC3)CC2)CC1 ZINC000663876594 471559673 /nfs/dbraw/zinc/55/96/73/471559673.db2.gz IDIBMNKIUIMGTG-UHFFFAOYSA-N 2 2 348.535 2.423 10 0 EEAELP O=c1ccccn1CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694760 471593463 /nfs/dbraw/zinc/59/34/63/471593463.db2.gz BOJBNOYOCNVPRS-MRXNPFEDSA-N 2 2 326.444 2.261 10 0 EEAELP O=c1ccccn1CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694760 471593469 /nfs/dbraw/zinc/59/34/69/471593469.db2.gz BOJBNOYOCNVPRS-MRXNPFEDSA-N 2 2 326.444 2.261 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1[nH+]ccn1C ZINC000661030115 471595511 /nfs/dbraw/zinc/59/55/11/471595511.db2.gz WPMOQPRDPKTYFC-YQQAZPJKSA-N 2 2 341.459 2.301 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1[nH+]ccn1C ZINC000661030115 471595521 /nfs/dbraw/zinc/59/55/21/471595521.db2.gz WPMOQPRDPKTYFC-YQQAZPJKSA-N 2 2 341.459 2.301 10 0 EEAELP FC(F)(F)CN1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667497954 471801587 /nfs/dbraw/zinc/80/15/87/471801587.db2.gz TYGVHZXDQNARRR-UHFFFAOYSA-N 2 2 339.365 2.337 10 0 EEAELP FC(F)(F)CN1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667497954 471801591 /nfs/dbraw/zinc/80/15/91/471801591.db2.gz TYGVHZXDQNARRR-UHFFFAOYSA-N 2 2 339.365 2.337 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000656707092 471815019 /nfs/dbraw/zinc/81/50/19/471815019.db2.gz UPLFDTKEVRINSX-IBGZPJMESA-N 2 2 332.488 2.228 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000656707092 471815024 /nfs/dbraw/zinc/81/50/24/471815024.db2.gz UPLFDTKEVRINSX-IBGZPJMESA-N 2 2 332.488 2.228 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690203 471853084 /nfs/dbraw/zinc/85/30/84/471853084.db2.gz OKHKAQLZJLWIHB-SJORKVTESA-N 2 2 348.466 2.190 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690203 471853089 /nfs/dbraw/zinc/85/30/89/471853089.db2.gz OKHKAQLZJLWIHB-SJORKVTESA-N 2 2 348.466 2.190 10 0 EEAELP O[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000661828184 471896510 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2 340.349 2.260 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662513017 472136126 /nfs/dbraw/zinc/13/61/26/472136126.db2.gz VTGFTHSQAICFSQ-VQISRLSMSA-N 2 2 327.831 2.339 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662513017 472136130 /nfs/dbraw/zinc/13/61/30/472136130.db2.gz VTGFTHSQAICFSQ-VQISRLSMSA-N 2 2 327.831 2.339 10 0 EEAELP CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1C[NH+]2CCC1CC2 ZINC000668588487 472186974 /nfs/dbraw/zinc/18/69/74/472186974.db2.gz ILUVCWUDMHYNDZ-ROUUACIJSA-N 2 2 338.455 2.484 10 0 EEAELP Cc1cn2cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc2[nH+]1 ZINC000665951309 472249987 /nfs/dbraw/zinc/24/99/87/472249987.db2.gz IJUAFWQUFRYUFG-AWEZNQCLSA-N 3 2 346.479 2.036 10 0 EEAELP Cc1cn2cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc2[nH+]1 ZINC000665951309 472249994 /nfs/dbraw/zinc/24/99/94/472249994.db2.gz IJUAFWQUFRYUFG-AWEZNQCLSA-N 3 2 346.479 2.036 10 0 EEAELP C[NH+]1CCN(Cc2cccc(C(=O)Nc3ccc4[nH+]ccn4c3)c2)CC1 ZINC000673669121 485494452 /nfs/dbraw/zinc/49/44/52/485494452.db2.gz VJGJAHBPRDZQCB-UHFFFAOYSA-N 2 2 349.438 2.334 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@]1(CO)CCC[NH+](Cc2ccccc2)C1 ZINC000679044725 485573367 /nfs/dbraw/zinc/57/33/67/485573367.db2.gz QFCDLMJEGBONSN-JRGCBEDISA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@]1(CO)CCC[NH+](Cc2ccccc2)C1 ZINC000679044725 485573369 /nfs/dbraw/zinc/57/33/69/485573369.db2.gz QFCDLMJEGBONSN-JRGCBEDISA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044725 485573372 /nfs/dbraw/zinc/57/33/72/485573372.db2.gz QFCDLMJEGBONSN-JRGCBEDISA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044725 485573374 /nfs/dbraw/zinc/57/33/74/485573374.db2.gz QFCDLMJEGBONSN-JRGCBEDISA-N 2 2 343.515 2.086 10 0 EEAELP CC(C)(C(=O)NCC1([NH+]2CCSCC2)CCCC1)c1c[nH]c[nH+]1 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GDQJXFDCDLPXCJ-DFNIBXOVSA-N 2 2 344.503 2.223 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000131007106 527983389 /nfs/dbraw/zinc/98/33/89/527983389.db2.gz SSJZFZOLQOWLED-QZTJIDSGSA-N 2 2 347.507 2.425 10 0 EEAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000131007106 527983396 /nfs/dbraw/zinc/98/33/96/527983396.db2.gz SSJZFZOLQOWLED-QZTJIDSGSA-N 2 2 347.507 2.425 10 0 EEAELP CCOCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888694 528683885 /nfs/dbraw/zinc/68/38/85/528683885.db2.gz UDSKXHMMRARQCT-HZPDHXFCSA-N 2 2 344.459 2.454 10 0 EEAELP C[C@H](CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[S@](C)=O ZINC000773062192 577313471 /nfs/dbraw/zinc/31/34/71/577313471.db2.gz BACXOQLUKXLOHA-CMJOXMDJSA-N 2 2 337.533 2.468 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765988829 577510811 /nfs/dbraw/zinc/51/08/11/577510811.db2.gz UHLHAONOTFKGRT-QWQRMKEZSA-N 2 2 335.467 2.388 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765988829 577510812 /nfs/dbraw/zinc/51/08/12/577510812.db2.gz UHLHAONOTFKGRT-QWQRMKEZSA-N 2 2 335.467 2.388 10 0 EEAELP Cn1c2ccccc2n(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1=O ZINC000766380604 577518307 /nfs/dbraw/zinc/51/83/07/577518307.db2.gz ICLAVKYCLAPCJU-UHFFFAOYSA-N 2 2 330.476 2.351 10 0 EEAELP C[C@]1(C[N@H+](CCO)Cc2ccc(Br)s2)CC[NH2+]C1 ZINC000261964920 682678625 /nfs/dbraw/zinc/67/86/25/682678625.db2.gz HROGEJFNRLQKNX-ZDUSSCGKSA-N 2 2 333.295 2.305 10 0 EEAELP C[C@]1(C[N@@H+](CCO)Cc2ccc(Br)s2)CC[NH2+]C1 ZINC000261964920 682678630 /nfs/dbraw/zinc/67/86/30/682678630.db2.gz HROGEJFNRLQKNX-ZDUSSCGKSA-N 2 2 333.295 2.305 10 0 EEAELP O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccncc2)CCC[NH2+]CCN1 ZINC000257194639 684168484 /nfs/dbraw/zinc/16/84/84/684168484.db2.gz ULCJPIMGAJOLSE-IBGZPJMESA-N 2 2 338.455 2.125 10 0 EEAELP O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccncc2)CCC[NH2+]CCN1 ZINC000257194639 684168485 /nfs/dbraw/zinc/16/84/85/684168485.db2.gz ULCJPIMGAJOLSE-IBGZPJMESA-N 2 2 338.455 2.125 10 0 EEAELP C[NH+](C)Cc1ccc(C[N@H+](C)C2(CO)CC2)c2c1OC(F)(F)O2 ZINC000895354829 684535360 /nfs/dbraw/zinc/53/53/60/684535360.db2.gz SORWNCBICBXAOV-UHFFFAOYSA-N 2 2 328.359 2.026 10 0 EEAELP C[NH+](C)Cc1ccc(C[N@@H+](C)C2(CO)CC2)c2c1OC(F)(F)O2 ZINC000895354829 684535362 /nfs/dbraw/zinc/53/53/62/684535362.db2.gz SORWNCBICBXAOV-UHFFFAOYSA-N 2 2 328.359 2.026 10 0 EEAELP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000897334284 687135696 /nfs/dbraw/zinc/13/56/96/687135696.db2.gz AMXMIMLTGHYNFA-QRVBRYPASA-N 2 2 343.471 2.183 10 0 EEAELP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001485727768 1191919339 /nfs/dbraw/zinc/91/93/39/1191919339.db2.gz NWKQXPXLIDVBCC-OLZOCXBDSA-N 2 2 346.397 2.272 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1C[C@H]([NH2+]CCCCCF)C1 ZINC001266593587 1176905171 /nfs/dbraw/zinc/90/51/71/1176905171.db2.gz PBYCGAJHPYRSHO-SHTZXODSSA-N 2 2 336.455 2.139 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C1)c1cccc2[nH+]ccn21 ZINC001266605819 1176945195 /nfs/dbraw/zinc/94/51/95/1176945195.db2.gz SIYJZRTXXGVBBV-WKILWMFISA-N 2 2 342.443 2.001 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266661988 1177080918 /nfs/dbraw/zinc/08/09/18/1177080918.db2.gz BQXBECOQEVPHFC-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001266661988 1177080925 /nfs/dbraw/zinc/08/09/25/1177080925.db2.gz BQXBECOQEVPHFC-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[NH2+]Cc1nc(C)oc1C ZINC001266704284 1177230964 /nfs/dbraw/zinc/23/09/64/1177230964.db2.gz ZDUQLKGSJDSWCH-CYBMUJFWSA-N 2 2 347.463 2.250 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691097394 1177573844 /nfs/dbraw/zinc/57/38/44/1177573844.db2.gz KPWNMNOZVFFMJU-DZEIUGAOSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C 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DTFPHWWWSSBDBP-UHFFFAOYSA-N 2 2 329.429 2.190 10 0 EEAELP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001267396364 1178966209 /nfs/dbraw/zinc/96/62/09/1178966209.db2.gz STZXQYDVIDBBHI-SFHVURJKSA-N 2 2 340.471 2.311 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)o1 ZINC001267473085 1179104701 /nfs/dbraw/zinc/10/47/01/1179104701.db2.gz APBCOYLOZHEJPY-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1CC(C)(C)C1 ZINC001480984386 1179425645 /nfs/dbraw/zinc/42/56/45/1179425645.db2.gz YHNRNCDVSJTIMB-MRXNPFEDSA-N 2 2 332.492 2.320 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1CC(C)(C)C1 ZINC001480984386 1179425648 /nfs/dbraw/zinc/42/56/48/1179425648.db2.gz YHNRNCDVSJTIMB-MRXNPFEDSA-N 2 2 332.492 2.320 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001267728106 1180309936 /nfs/dbraw/zinc/30/99/36/1180309936.db2.gz UZFROGKNRHZIDF-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001267728106 1180309943 /nfs/dbraw/zinc/30/99/43/1180309943.db2.gz UZFROGKNRHZIDF-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001481247228 1180445056 /nfs/dbraw/zinc/44/50/56/1180445056.db2.gz BMMGBWVKMTYSSE-QGZVFWFLSA-N 2 2 340.471 2.311 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@H](C)C[NH2+]C/C=C\Cl)[nH+]c12 ZINC001268006601 1180962284 /nfs/dbraw/zinc/96/22/84/1180962284.db2.gz GMIQUVPAAHXWQX-RYWCDNDXSA-N 2 2 334.851 2.280 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC001481366614 1181136076 /nfs/dbraw/zinc/13/60/76/1181136076.db2.gz ZALBJRFFGVZNLC-SFHVURJKSA-N 2 2 339.439 2.490 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268386056 1182425771 /nfs/dbraw/zinc/42/57/71/1182425771.db2.gz NEELWKHZSLYHSU-GJZGRUSLSA-N 2 2 344.459 2.247 10 0 EEAELP CN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001481737414 1182451144 /nfs/dbraw/zinc/45/11/44/1182451144.db2.gz ZOOWLVDZGHZXKK-HNNXBMFYSA-N 2 2 332.473 2.147 10 0 EEAELP CN(C(=O)CCc1[nH+]ccn1C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001481737414 1182451150 /nfs/dbraw/zinc/45/11/50/1182451150.db2.gz ZOOWLVDZGHZXKK-HNNXBMFYSA-N 2 2 332.473 2.147 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)sn1 ZINC001481742330 1182471784 /nfs/dbraw/zinc/47/17/84/1182471784.db2.gz CLPPBGVWEKOHDE-CABCVRRESA-N 2 2 347.488 2.332 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)sn1 ZINC001481742330 1182471788 /nfs/dbraw/zinc/47/17/88/1182471788.db2.gz CLPPBGVWEKOHDE-CABCVRRESA-N 2 2 347.488 2.332 10 0 EEAELP CC/C=C\CC[NH+]1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001268452575 1182663269 /nfs/dbraw/zinc/66/32/69/1182663269.db2.gz BAVIFQCPRGORQZ-HPFMTEOYSA-N 2 2 325.472 2.356 10 0 EEAELP CC/C=C\CC[NH+]1CC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001268452575 1182663272 /nfs/dbraw/zinc/66/32/72/1182663272.db2.gz BAVIFQCPRGORQZ-HPFMTEOYSA-N 2 2 325.472 2.356 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1ccc2ncccc2c1)C1CC1 ZINC001269149203 1184003384 /nfs/dbraw/zinc/00/33/84/1184003384.db2.gz OWJYSCFAAXFURD-LJQANCHMSA-N 2 2 349.438 2.116 10 0 EEAELP COCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001269742244 1184579848 /nfs/dbraw/zinc/57/98/48/1184579848.db2.gz RFYSWOUFCDWIKO-HKUYNNGSSA-N 2 2 348.491 2.185 10 0 EEAELP COCCCC[N@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001269742244 1184579852 /nfs/dbraw/zinc/57/98/52/1184579852.db2.gz RFYSWOUFCDWIKO-HKUYNNGSSA-N 2 2 348.491 2.185 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC001269783610 1184618395 /nfs/dbraw/zinc/61/83/95/1184618395.db2.gz DUHJSCZUDPLBNU-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CCCc1cccc(F)c1 ZINC001482358623 1185506737 /nfs/dbraw/zinc/50/67/37/1185506737.db2.gz QFVPMVDRIJGYTK-AWEZNQCLSA-N 2 2 346.450 2.469 10 0 EEAELP C[C@H](C[NH2+][C@@H](C)c1nc2ccccc2o1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482376482 1185551855 /nfs/dbraw/zinc/55/18/55/1185551855.db2.gz ZOQRHAONTTWDLF-KGLIPLIRSA-N 2 2 341.415 2.222 10 0 EEAELP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482446004 1185761091 /nfs/dbraw/zinc/76/10/91/1185761091.db2.gz NGOVIHFWPSGALK-WYIDIVSCSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482446004 1185761097 /nfs/dbraw/zinc/76/10/97/1185761097.db2.gz NGOVIHFWPSGALK-WYIDIVSCSA-N 2 2 337.508 2.034 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001482451295 1185842867 /nfs/dbraw/zinc/84/28/67/1185842867.db2.gz UICCJEFCMODVTE-SFHVURJKSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001482451295 1185842875 /nfs/dbraw/zinc/84/28/75/1185842875.db2.gz UICCJEFCMODVTE-SFHVURJKSA-N 2 2 341.459 2.298 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001271590516 1186326457 /nfs/dbraw/zinc/32/64/57/1186326457.db2.gz CAWDDDBOIBKPTH-JKSUJKDBSA-N 2 2 348.491 2.128 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccc(Cl)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001691527922 1186502133 /nfs/dbraw/zinc/50/21/33/1186502133.db2.gz DGABRUDIEWUFOI-IHWYPQMZSA-N 2 2 332.835 2.367 10 0 EEAELP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ncc(C(C)(C)C)o1)[NH+](C)C ZINC001493586079 1193444344 /nfs/dbraw/zinc/44/43/44/1193444344.db2.gz DQKZDURWZQGBDV-INIZCTEOSA-N 2 2 338.496 2.106 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC001272078381 1187413788 /nfs/dbraw/zinc/41/37/88/1187413788.db2.gz HGUWXZNDZMCHBU-DOTOQJQBSA-N 2 2 336.455 2.405 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001272078381 1187413789 /nfs/dbraw/zinc/41/37/89/1187413789.db2.gz HGUWXZNDZMCHBU-DOTOQJQBSA-N 2 2 336.455 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC001272078381 1187413792 /nfs/dbraw/zinc/41/37/92/1187413792.db2.gz HGUWXZNDZMCHBU-DOTOQJQBSA-N 2 2 336.455 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001272078381 1187413795 /nfs/dbraw/zinc/41/37/95/1187413795.db2.gz HGUWXZNDZMCHBU-DOTOQJQBSA-N 2 2 336.455 2.405 10 0 EEAELP COCCCCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)CC1 ZINC001272805940 1193508500 /nfs/dbraw/zinc/50/85/00/1193508500.db2.gz YNTHBEHLYOQHJB-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP COCCCCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)CC1 ZINC001272805940 1193508502 /nfs/dbraw/zinc/50/85/02/1193508502.db2.gz YNTHBEHLYOQHJB-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001483037266 1188068999 /nfs/dbraw/zinc/06/89/99/1188068999.db2.gz MRHXJSKTKKFVGG-BAABZTOOSA-N 2 2 340.418 2.050 10 0 EEAELP C[C@@H](CC(=O)NC/C=C/C[NH2+]CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001483064345 1188384113 /nfs/dbraw/zinc/38/41/13/1188384113.db2.gz BEEYACWUESRTJK-IBUXWKBASA-N 2 2 326.391 2.142 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCC1CCCC1 ZINC001409584425 1190075522 /nfs/dbraw/zinc/07/55/22/1190075522.db2.gz NUEGWWXQLIPUBG-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCC1CCCC1 ZINC001409584425 1190075527 /nfs/dbraw/zinc/07/55/27/1190075527.db2.gz NUEGWWXQLIPUBG-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP CN(CCC[NH2+]CC[C@H]1CCCO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483473898 1190495925 /nfs/dbraw/zinc/49/59/25/1190495925.db2.gz LYTFMLPFEBESDJ-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001486131788 1193690184 /nfs/dbraw/zinc/69/01/84/1193690184.db2.gz UDTVCIJLCVXZJV-XJKSGUPXSA-N 2 2 345.447 2.047 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483743236 1190895514 /nfs/dbraw/zinc/89/55/14/1190895514.db2.gz QZXDZLHRZDTPBM-HNNXBMFYSA-N 2 2 348.491 2.411 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001483743236 1190895515 /nfs/dbraw/zinc/89/55/15/1190895515.db2.gz QZXDZLHRZDTPBM-HNNXBMFYSA-N 2 2 348.491 2.411 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C2(CNC(=O)CCn3cc[nH+]c3)CC2)c1 ZINC001483757806 1190984226 /nfs/dbraw/zinc/98/42/26/1190984226.db2.gz WGNOTNNRTZQTPU-OAHLLOKOSA-N 2 2 342.443 2.281 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C[C@H]1C ZINC001483906919 1191119743 /nfs/dbraw/zinc/11/97/43/1191119743.db2.gz ZLGQLMZIFVQOMV-ROAXPNGRSA-N 2 2 337.851 2.354 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H]1C[NH2+]C/C=C/Cl ZINC001483930055 1191121984 /nfs/dbraw/zinc/12/19/84/1191121984.db2.gz WOUDAEHEUXGGJI-SZTZYQKNSA-N 2 2 336.867 2.095 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC/C=C\c1ccccc1 ZINC001484902678 1191565760 /nfs/dbraw/zinc/56/57/60/1191565760.db2.gz DNDDOHHGAOZFIV-HILPHFPESA-N 2 2 338.455 2.492 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2nocc2C)[C@@H]1C ZINC001486184486 1193723749 /nfs/dbraw/zinc/72/37/49/1193723749.db2.gz VFLMOSHRLLEFMY-CVEARBPZSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2nocc2C)[C@@H]1C ZINC001486184486 1193723753 /nfs/dbraw/zinc/72/37/53/1193723753.db2.gz VFLMOSHRLLEFMY-CVEARBPZSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2nocc2C)[C@@H]1C ZINC001486184486 1193723757 /nfs/dbraw/zinc/72/37/57/1193723757.db2.gz VFLMOSHRLLEFMY-CVEARBPZSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2nocc2C)[C@@H]1C ZINC001486184486 1193723761 /nfs/dbraw/zinc/72/37/61/1193723761.db2.gz VFLMOSHRLLEFMY-CVEARBPZSA-N 2 2 336.480 2.184 10 0 EEAELP CC(C)OCC[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001486516794 1194023034 /nfs/dbraw/zinc/02/30/34/1194023034.db2.gz NXNXDXWRIKFBHX-INIZCTEOSA-N 2 2 334.464 2.008 10 0 EEAELP CC(C)OCC[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001486516794 1194023038 /nfs/dbraw/zinc/02/30/38/1194023038.db2.gz NXNXDXWRIKFBHX-INIZCTEOSA-N 2 2 334.464 2.008 10 0 EEAELP Cc1cc(C[NH+]2CC=C(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC2)no1 ZINC001486515925 1194036389 /nfs/dbraw/zinc/03/63/89/1194036389.db2.gz UMWIRODSUHTDNU-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1cc(C[NH+]2CC=C(CNC(=O)C[N@H+](C)CC(C)(C)C)CC2)no1 ZINC001486515925 1194036393 /nfs/dbraw/zinc/03/63/93/1194036393.db2.gz UMWIRODSUHTDNU-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1cc(C[N@H+]2CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC2)no1 ZINC001486515925 1194036397 /nfs/dbraw/zinc/03/63/97/1194036397.db2.gz UMWIRODSUHTDNU-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP Cc1cc(C[N@@H+]2CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC2)no1 ZINC001486515925 1194036401 /nfs/dbraw/zinc/03/64/01/1194036401.db2.gz UMWIRODSUHTDNU-UHFFFAOYSA-N 2 2 348.491 2.209 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]Cc1cscn1 ZINC001410513100 1198068940 /nfs/dbraw/zinc/06/89/40/1198068940.db2.gz OSTRSIHEMYTYGE-YOEHRIQHSA-N 2 2 346.500 2.383 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1F ZINC001410539473 1198100301 /nfs/dbraw/zinc/10/03/01/1198100301.db2.gz PVRDJTIBWVXCCT-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1ccc(F)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001411196572 1198894656 /nfs/dbraw/zinc/89/46/56/1198894656.db2.gz WBKFUGDOCJGYHG-UHFFFAOYSA-N 2 2 332.423 2.460 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1ccc(F)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001411196572 1198894661 /nfs/dbraw/zinc/89/46/61/1198894661.db2.gz WBKFUGDOCJGYHG-UHFFFAOYSA-N 2 2 332.423 2.460 10 0 EEAELP C[NH+](C)Cc1cnc(C[NH2+]C/C=C\CNC(=O)OC(C)(C)C)s1 ZINC000811498101 1200089270 /nfs/dbraw/zinc/08/92/70/1200089270.db2.gz LCLSXEQIIMWKMG-SREVYHEPSA-N 2 2 340.493 2.375 10 0 EEAELP C=C/C=C\CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000883468120 1202070821 /nfs/dbraw/zinc/07/08/21/1202070821.db2.gz JBMXXVGGYNNOIU-PLNGDYQASA-N 2 2 334.508 2.368 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCC(F)(F)F)C(=O)CCc1[nH+]ccn1C ZINC001275696275 1205488157 /nfs/dbraw/zinc/48/81/57/1205488157.db2.gz NDLOURHEHHAPCB-UHFFFAOYSA-N 2 2 348.413 2.379 10 0 EEAELP CC[C@@]1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCC[NH2+]1 ZINC000134561207 1205833538 /nfs/dbraw/zinc/83/35/38/1205833538.db2.gz VEUSZCXLHCSEMV-IBGZPJMESA-N 2 2 326.444 2.122 10 0 EEAELP C[NH+](C)C1CCN(c2ccc(NC3[C@@H]4CC[C@H]3C[N@@H+](C)C4)[nH+]c2)CC1 ZINC000925906163 1206166618 /nfs/dbraw/zinc/16/66/18/1206166618.db2.gz NJTOMYQHLKBFBZ-NYTJIUQPSA-N 3 2 343.519 2.364 10 0 EEAELP C[NH+](C)C1CCN(c2ccc(NC3[C@@H]4CC[C@H]3C[N@H+](C)C4)[nH+]c2)CC1 ZINC000925906163 1206166619 /nfs/dbraw/zinc/16/66/19/1206166619.db2.gz NJTOMYQHLKBFBZ-NYTJIUQPSA-N 3 2 343.519 2.364 10 0 EEAELP CC(C)Oc1ccc(F)cc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926008161 1206180991 /nfs/dbraw/zinc/18/09/91/1206180991.db2.gz WVALMRNBZJOMJJ-UHFFFAOYSA-N 2 2 338.427 2.158 10 0 EEAELP Cc1cc(NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)c(C)c[nH+]1 ZINC000930625007 1206571464 /nfs/dbraw/zinc/57/14/64/1206571464.db2.gz DJVFKAWMOMSDEY-INIZCTEOSA-N 2 2 327.432 2.330 10 0 EEAELP c1ccc(C2([NH+]3CCCC3)CC[NH+](C[C@H]3COCCO3)CC2)cc1 ZINC000933549900 1207786123 /nfs/dbraw/zinc/78/61/23/1207786123.db2.gz JKZRMMSXRWLKAR-IBGZPJMESA-N 2 2 330.472 2.489 10 0 EEAELP CNc1cc(NCCC2(O)CC[NH+](Cc3ccccc3)CC2)nc[nH+]1 ZINC000717967453 1211693581 /nfs/dbraw/zinc/69/35/81/1211693581.db2.gz UPKQTZQDAMQKQO-UHFFFAOYSA-N 2 2 341.459 2.347 10 0 EEAELP CNc1cc(NCCC2(O)CC[NH+](Cc3ccccc3)CC2)[nH+]cn1 ZINC000717967453 1211693582 /nfs/dbraw/zinc/69/35/82/1211693582.db2.gz UPKQTZQDAMQKQO-UHFFFAOYSA-N 2 2 341.459 2.347 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001491047031 1258606902 /nfs/dbraw/zinc/60/69/02/1258606902.db2.gz GACKDVXQGXKGSE-SOLBZPMBSA-N 2 2 337.508 2.057 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001491047031 1258606908 /nfs/dbraw/zinc/60/69/08/1258606908.db2.gz GACKDVXQGXKGSE-SOLBZPMBSA-N 2 2 337.508 2.057 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001491181512 1258746072 /nfs/dbraw/zinc/74/60/72/1258746072.db2.gz NKBFWTDEJBTNHD-MPYGFJLXSA-N 2 2 338.455 2.494 10 0 EEAELP Cc1nocc1C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491226326 1258812579 /nfs/dbraw/zinc/81/25/79/1258812579.db2.gz OUOMIRCDKRBMHL-YOEHRIQHSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1nocc1C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491226326 1258812584 /nfs/dbraw/zinc/81/25/84/1258812584.db2.gz OUOMIRCDKRBMHL-YOEHRIQHSA-N 2 2 345.447 2.302 10 0 EEAELP CCc1cccc(C[NH2+]CCN(CC)C(=O)Cc2c[nH+]cn2C)c1 ZINC001268493056 1276937827 /nfs/dbraw/zinc/93/78/27/1276937827.db2.gz QMVVTDWJKQURGV-UHFFFAOYSA-N 2 2 328.460 2.163 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001488791361 1290234625 /nfs/dbraw/zinc/23/46/25/1290234625.db2.gz ANSGSLFWECJVKF-UWWQBHOKSA-N 2 2 338.455 2.433 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001490762269 1291692119 /nfs/dbraw/zinc/69/21/19/1291692119.db2.gz HZVYXVQPXVANMM-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001490762269 1291692126 /nfs/dbraw/zinc/69/21/26/1291692126.db2.gz HZVYXVQPXVANMM-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(O)cccc1Cl ZINC000855346181 1293184672 /nfs/dbraw/zinc/18/46/72/1293184672.db2.gz QPAYFXXOORWQRI-LBPRGKRZSA-N 2 2 327.856 2.047 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(O)cccc1Cl ZINC000855346181 1293184675 /nfs/dbraw/zinc/18/46/75/1293184675.db2.gz QPAYFXXOORWQRI-LBPRGKRZSA-N 2 2 327.856 2.047 10 0 EEAELP CCOC(=O)[C@H](CC)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856593052 1293575619 /nfs/dbraw/zinc/57/56/19/1293575619.db2.gz YZUAKNJOYUOUNQ-ROUUACIJSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@H](CC)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856593052 1293575624 /nfs/dbraw/zinc/57/56/24/1293575624.db2.gz YZUAKNJOYUOUNQ-ROUUACIJSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@H](CC)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856593052 1293575634 /nfs/dbraw/zinc/57/56/34/1293575634.db2.gz YZUAKNJOYUOUNQ-ROUUACIJSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@H](CC)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856593052 1293575638 /nfs/dbraw/zinc/57/56/38/1293575638.db2.gz YZUAKNJOYUOUNQ-ROUUACIJSA-N 2 2 349.475 2.328 10 0 EEAELP O=C1COc2ccccc2CN1CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926883641 1296952398 /nfs/dbraw/zinc/95/23/98/1296952398.db2.gz NYGUWAJESJREFU-QZTJIDSGSA-N 2 2 343.471 2.014 10 0 EEAELP O=C1COc2ccccc2CN1CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926883641 1296952402 /nfs/dbraw/zinc/95/24/02/1296952402.db2.gz NYGUWAJESJREFU-QZTJIDSGSA-N 2 2 343.471 2.014 10 0 EEAELP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCCCCF ZINC001276758774 1297490704 /nfs/dbraw/zinc/49/07/04/1297490704.db2.gz CUBIWVHXVDMNCB-NVXWUHKLSA-N 2 2 338.471 2.319 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001277911364 1305062118 /nfs/dbraw/zinc/06/21/18/1305062118.db2.gz XRPULWSIBMWXFC-QGZVFWFLSA-N 2 2 344.434 2.236 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]CCOc1ccccc1C ZINC001278001607 1305648602 /nfs/dbraw/zinc/64/86/02/1305648602.db2.gz BWWFCMLXKLBSRT-HNNXBMFYSA-N 2 2 344.459 2.085 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]CCOc1cccc(C)c1 ZINC001278002253 1305650585 /nfs/dbraw/zinc/65/05/85/1305650585.db2.gz HMGCSQXLXJMLSS-OAHLLOKOSA-N 2 2 344.459 2.085 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@@H+]1Cc1ccon1 ZINC001278532247 1317161152 /nfs/dbraw/zinc/16/11/52/1317161152.db2.gz ALWSGUQOSDETLQ-AEFFLSMTSA-N 2 2 348.491 2.410 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@H+]1Cc1ccon1 ZINC001278532247 1317161159 /nfs/dbraw/zinc/16/11/59/1317161159.db2.gz ALWSGUQOSDETLQ-AEFFLSMTSA-N 2 2 348.491 2.410 10 0 EEAELP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278681265 1317686129 /nfs/dbraw/zinc/68/61/29/1317686129.db2.gz BUORSNQABNSYFU-SJLPKXTDSA-N 2 2 336.480 2.089 10 0 EEAELP CCOCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001278681265 1317686138 /nfs/dbraw/zinc/68/61/38/1317686138.db2.gz BUORSNQABNSYFU-SJLPKXTDSA-N 2 2 336.480 2.089 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278787610 1318090576 /nfs/dbraw/zinc/09/05/76/1318090576.db2.gz ZEKTWECACJNYHV-QWPQOLDESA-N 2 2 333.476 2.386 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001264708030 1322789850 /nfs/dbraw/zinc/78/98/50/1322789850.db2.gz GESXXUMWKLJMRA-MGJQNXGFSA-N 2 2 330.476 2.381 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001264708030 1322789852 /nfs/dbraw/zinc/78/98/52/1322789852.db2.gz GESXXUMWKLJMRA-MGJQNXGFSA-N 2 2 330.476 2.381 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)Cc1ccsc1 ZINC001265002708 1322849072 /nfs/dbraw/zinc/84/90/72/1322849072.db2.gz PKLKJWPHASBAQP-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)Cc1ccsc1 ZINC001265002708 1322849074 /nfs/dbraw/zinc/84/90/74/1322849074.db2.gz PKLKJWPHASBAQP-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP Cc1ccc(F)c(C[N@@H+](C)CCCNC(=O)CCc2c[nH+]cn2C)c1 ZINC001265063841 1322901728 /nfs/dbraw/zinc/90/17/28/1322901728.db2.gz OPCFNHRRLCZSIN-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP Cc1ccc(F)c(C[N@H+](C)CCCNC(=O)CCc2c[nH+]cn2C)c1 ZINC001265063841 1322901730 /nfs/dbraw/zinc/90/17/30/1322901730.db2.gz OPCFNHRRLCZSIN-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCC1=CCCCC1 ZINC001265792527 1323383803 /nfs/dbraw/zinc/38/38/03/1323383803.db2.gz PJSFMZOXZDJMRQ-WBVHZDCISA-N 2 2 330.476 2.430 10 0 EEAELP CCc1cccc(C[N@H+]2CC=C(CNC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001279694490 1323980422 /nfs/dbraw/zinc/98/04/22/1323980422.db2.gz ABUCXNCWPRXMQA-UHFFFAOYSA-N 2 2 338.455 2.394 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001280093910 1324082875 /nfs/dbraw/zinc/08/28/75/1324082875.db2.gz FGWPTILXSGZQQE-HSVJCBRXSA-N 2 2 337.851 2.213 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(Cl)nc2)CCC1 ZINC001280495226 1324255442 /nfs/dbraw/zinc/25/54/42/1324255442.db2.gz LUAQLQFMQAOAJJ-UHFFFAOYSA-N 2 2 347.850 2.150 10 0 EEAELP CCn1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)n1 ZINC001284154753 1326438439 /nfs/dbraw/zinc/43/84/39/1326438439.db2.gz QACKOBCUPAHEAX-WMZOPIPTSA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)n1 ZINC001284154753 1326438441 /nfs/dbraw/zinc/43/84/41/1326438441.db2.gz QACKOBCUPAHEAX-WMZOPIPTSA-N 2 2 349.523 2.104 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001491651293 1330199166 /nfs/dbraw/zinc/19/91/66/1330199166.db2.gz PVGJOXPMXQOISQ-QWHCGFSZSA-N 2 2 330.432 2.125 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001491813263 1330279221 /nfs/dbraw/zinc/27/92/21/1330279221.db2.gz BCOSVUNGZKEBJR-HOTGVXAUSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@H](CC(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccon1)n1cc[nH+]c1 ZINC001492172499 1331050028 /nfs/dbraw/zinc/05/00/28/1331050028.db2.gz ZHAZZSDPDZCSMY-WBVHZDCISA-N 2 2 345.447 2.383 10 0 EEAELP C[C@H](CC(=O)NCCC[C@H]1CCC[N@H+]1Cc1ccon1)n1cc[nH+]c1 ZINC001492172499 1331050033 /nfs/dbraw/zinc/05/00/33/1331050033.db2.gz ZHAZZSDPDZCSMY-WBVHZDCISA-N 2 2 345.447 2.383 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)no1 ZINC001316679892 1331309195 /nfs/dbraw/zinc/30/91/95/1331309195.db2.gz DUTUKOLXUSXMNB-GUYCJALGSA-N 2 2 345.447 2.056 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001317187871 1332121646 /nfs/dbraw/zinc/12/16/46/1332121646.db2.gz CCSQYQFWXFDECO-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCCCO1 ZINC001317187871 1332121648 /nfs/dbraw/zinc/12/16/48/1332121648.db2.gz CCSQYQFWXFDECO-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP CC[C@@H](C(=O)NC1CCC([NH2+]CC(F)(F)C(F)F)CC1)[NH+](C)C ZINC001317220869 1332142070 /nfs/dbraw/zinc/14/20/70/1332142070.db2.gz MUJDEIQPQJEAEE-MCIGGMRASA-N 2 2 341.393 2.244 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)c(C)n1 ZINC001317248251 1332151810 /nfs/dbraw/zinc/15/18/10/1332151810.db2.gz VPPFUBOZWZLPDG-CYBMUJFWSA-N 2 2 337.427 2.483 10 0 EEAELP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317604593 1332321705 /nfs/dbraw/zinc/32/17/05/1332321705.db2.gz CPLBBKDFQVEIGU-MRXNPFEDSA-N 2 2 330.476 2.074 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001317900170 1332442041 /nfs/dbraw/zinc/44/20/41/1332442041.db2.gz UBLKBGPITCLASC-RYTMFUSVSA-N 2 2 330.476 2.382 10 0 EEAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001318276241 1332500852 /nfs/dbraw/zinc/50/08/52/1332500852.db2.gz KSLMWNZGURALLY-GOEBONIOSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001318276241 1332500854 /nfs/dbraw/zinc/50/08/54/1332500854.db2.gz KSLMWNZGURALLY-GOEBONIOSA-N 2 2 338.883 2.012 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319560353 1332721674 /nfs/dbraw/zinc/72/16/74/1332721674.db2.gz LVTNUWQCRMIYIC-INIZCTEOSA-N 2 2 342.487 2.204 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC001319689805 1332741989 /nfs/dbraw/zinc/74/19/89/1332741989.db2.gz FVXHFQRLDCVKKT-DLBZAZTESA-N 2 2 345.422 2.157 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC001319689805 1332741992 /nfs/dbraw/zinc/74/19/92/1332741992.db2.gz FVXHFQRLDCVKKT-DLBZAZTESA-N 2 2 345.422 2.157 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001320170117 1332842859 /nfs/dbraw/zinc/84/28/59/1332842859.db2.gz GCOWFTGDFINTOS-IEBWSBKVSA-N 2 2 340.471 2.080 10 0 EEAELP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320758122 1332946984 /nfs/dbraw/zinc/94/69/84/1332946984.db2.gz BVMVYWJUPFDVNB-HZPDHXFCSA-N 2 2 348.397 2.430 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)C)o1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001320841248 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2.311 10 0 EEAELP COCCC[NH2+]CC[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001666125431 1355459975 /nfs/dbraw/zinc/45/99/75/1355459975.db2.gz URUPEWDEEBWTGZ-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001666655967 1355560486 /nfs/dbraw/zinc/56/04/86/1355560486.db2.gz GABYMYMQLUTBAY-ZYHUDNBSSA-N 2 2 347.290 2.186 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001666952260 1355621270 /nfs/dbraw/zinc/62/12/70/1355621270.db2.gz HPOJJRYMVMRDRW-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2c[nH+]cn2C)cc1F ZINC001668272823 1355912618 /nfs/dbraw/zinc/91/26/18/1355912618.db2.gz AIJDLYVZTNGJTJ-AWEZNQCLSA-N 2 2 332.423 2.095 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc2ccccc2o1)NC(=O)Cc1c[nH+]cn1C ZINC001668272841 1355912795 /nfs/dbraw/zinc/91/27/95/1355912795.db2.gz AUUJUMVUIHDZGS-AWEZNQCLSA-N 2 2 340.427 2.393 10 0 EEAELP CN(CCC[NH2+][C@H]1CCc2c1cc(F)cc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001670261603 1356306941 /nfs/dbraw/zinc/30/69/41/1356306941.db2.gz RMHRYNRHXDPWRL-KRWDZBQOSA-N 2 2 348.397 2.356 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001672538318 1356550162 /nfs/dbraw/zinc/55/01/62/1356550162.db2.gz PCYAVZBRUGRALK-BPQIPLTHSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001672538318 1356550164 /nfs/dbraw/zinc/55/01/64/1356550164.db2.gz PCYAVZBRUGRALK-BPQIPLTHSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001672538318 1356550166 /nfs/dbraw/zinc/55/01/66/1356550166.db2.gz PCYAVZBRUGRALK-BPQIPLTHSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001672538318 1356550168 /nfs/dbraw/zinc/55/01/68/1356550168.db2.gz PCYAVZBRUGRALK-BPQIPLTHSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC001672834102 1356596316 /nfs/dbraw/zinc/59/63/16/1356596316.db2.gz IQNDUJGBGHMWFQ-HNNXBMFYSA-N 2 2 347.488 2.067 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001673650152 1356726867 /nfs/dbraw/zinc/72/68/67/1356726867.db2.gz FPTLCUIFVKGWJK-SFHVURJKSA-N 2 2 336.455 2.407 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001673650152 1356726873 /nfs/dbraw/zinc/72/68/73/1356726873.db2.gz FPTLCUIFVKGWJK-SFHVURJKSA-N 2 2 336.455 2.407 10 0 EEAELP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001675459391 1356986375 /nfs/dbraw/zinc/98/63/75/1356986375.db2.gz XWTOPVJPWHAUJO-HZPDHXFCSA-N 2 2 332.492 2.462 10 0 EEAELP CCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001675459391 1356986379 /nfs/dbraw/zinc/98/63/79/1356986379.db2.gz XWTOPVJPWHAUJO-HZPDHXFCSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001698798612 1405073456 /nfs/dbraw/zinc/07/34/56/1405073456.db2.gz YGLHBUPOCIJKRU-MRXNPFEDSA-N 2 2 330.476 2.430 10 0 EEAELP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001698840626 1405102442 /nfs/dbraw/zinc/10/24/42/1405102442.db2.gz ANEWLSRNMXNHRK-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001698840626 1405102444 /nfs/dbraw/zinc/10/24/44/1405102444.db2.gz ANEWLSRNMXNHRK-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+]C[C@H](C)N(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001698863782 1405119123 /nfs/dbraw/zinc/11/91/23/1405119123.db2.gz JATLYYKLLWKLLJ-KRWDZBQOSA-N 2 2 344.459 2.015 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001699111477 1405267671 /nfs/dbraw/zinc/26/76/71/1405267671.db2.gz BVKGRYGNYORXIR-DOTOQJQBSA-N 2 2 326.444 2.130 10 0 EEAELP CCN1C[C@@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000846827952 790609997 /nfs/dbraw/zinc/60/99/97/790609997.db2.gz YJUGOLIMGGQDDA-GOSISDBHSA-N 2 2 331.460 2.424 10 0 EEAELP CCN1C[C@@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000846827952 790610003 /nfs/dbraw/zinc/61/00/03/790610003.db2.gz YJUGOLIMGGQDDA-GOSISDBHSA-N 2 2 331.460 2.424 10 0 EEAELP CCN1C[C@H](C[N@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)OC1=O ZINC000846808405 790633248 /nfs/dbraw/zinc/63/32/48/790633248.db2.gz HLVRCPXEBDSIEN-KRWDZBQOSA-N 2 2 346.475 2.461 10 0 EEAELP CCN1C[C@H](C[N@@H+](CC)CC2CCN(c3cccc[nH+]3)CC2)OC1=O ZINC000846808405 790633252 /nfs/dbraw/zinc/63/32/52/790633252.db2.gz HLVRCPXEBDSIEN-KRWDZBQOSA-N 2 2 346.475 2.461 10 0 EEAELP C[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@]2(C)C1 ZINC000913275348 788751495 /nfs/dbraw/zinc/75/14/95/788751495.db2.gz ULFMFKWHIOZMEL-BGYRXZFFSA-N 2 2 338.455 2.215 10 0 EEAELP C[N@H+]1C[C@@]2(C)CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C[C@@]2(C)C1 ZINC000913275348 788751501 /nfs/dbraw/zinc/75/15/01/788751501.db2.gz ULFMFKWHIOZMEL-BGYRXZFFSA-N 2 2 338.455 2.215 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381663 789077422 /nfs/dbraw/zinc/07/74/22/789077422.db2.gz QJEXUMRNTXZVJK-MSOLQXFVSA-N 2 2 338.879 2.079 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381663 789077433 /nfs/dbraw/zinc/07/74/33/789077433.db2.gz QJEXUMRNTXZVJK-MSOLQXFVSA-N 2 2 338.879 2.079 10 0 EEAELP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381663 789077445 /nfs/dbraw/zinc/07/74/45/789077445.db2.gz QJEXUMRNTXZVJK-MSOLQXFVSA-N 2 2 338.879 2.079 10 0 EEAELP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381663 789077456 /nfs/dbraw/zinc/07/74/56/789077456.db2.gz QJEXUMRNTXZVJK-MSOLQXFVSA-N 2 2 338.879 2.079 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)CC(C)C ZINC001566563557 1125739232 /nfs/dbraw/zinc/73/92/32/1125739232.db2.gz ZBEQFTJCPWKDJW-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)CC(C)C ZINC001566563557 1125739238 /nfs/dbraw/zinc/73/92/38/1125739238.db2.gz ZBEQFTJCPWKDJW-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CC(C)C ZINC001566563557 1125739243 /nfs/dbraw/zinc/73/92/43/1125739243.db2.gz ZBEQFTJCPWKDJW-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CC(C)C ZINC001566563557 1125739251 /nfs/dbraw/zinc/73/92/51/1125739251.db2.gz ZBEQFTJCPWKDJW-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1C1CC1 ZINC001437427384 1089721394 /nfs/dbraw/zinc/72/13/94/1089721394.db2.gz JQUHTHAQMQHKHK-OAHLLOKOSA-N 2 2 326.444 2.445 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCc2ccccc21 ZINC001437596608 1090100803 /nfs/dbraw/zinc/10/08/03/1090100803.db2.gz DJEKPYNFLJQZIL-GOSISDBHSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)[C@@H]1CCc2ccccc21 ZINC001437596608 1090100804 /nfs/dbraw/zinc/10/08/04/1090100804.db2.gz DJEKPYNFLJQZIL-GOSISDBHSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCc2ccccc21 ZINC001437596608 1090100805 /nfs/dbraw/zinc/10/08/05/1090100805.db2.gz DJEKPYNFLJQZIL-GOSISDBHSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)[C@@H]1CCc2ccccc21 ZINC001437596608 1090100807 /nfs/dbraw/zinc/10/08/07/1090100807.db2.gz DJEKPYNFLJQZIL-GOSISDBHSA-N 2 2 326.444 2.468 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2nccs2)C1)[NH+](CC)CC ZINC001438241577 1090721652 /nfs/dbraw/zinc/72/16/52/1090721652.db2.gz WGTXLOYDOUWBSU-HUUCEWRRSA-N 2 2 338.521 2.296 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccs2)C1)[NH+](CC)CC ZINC001438241577 1090721653 /nfs/dbraw/zinc/72/16/53/1090721653.db2.gz WGTXLOYDOUWBSU-HUUCEWRRSA-N 2 2 338.521 2.296 10 0 EEAELP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CC=C(Cl)Cl)C1 ZINC001438272899 1090758354 /nfs/dbraw/zinc/75/83/54/1090758354.db2.gz RLJNMKQKAISMBI-ZDUSSCGKSA-N 2 2 334.291 2.324 10 0 EEAELP CCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](CC=C(Cl)Cl)C1 ZINC001438272899 1090758358 /nfs/dbraw/zinc/75/83/58/1090758358.db2.gz RLJNMKQKAISMBI-ZDUSSCGKSA-N 2 2 334.291 2.324 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(C)cc1 ZINC001438331645 1090803766 /nfs/dbraw/zinc/80/37/66/1090803766.db2.gz BMLAGVKUGUMJES-QZTJIDSGSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001445399690 1091146610 /nfs/dbraw/zinc/14/66/10/1091146610.db2.gz RFVZCOSLAJUHRC-SJORKVTESA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1F ZINC001445824419 1091706675 /nfs/dbraw/zinc/70/66/75/1091706675.db2.gz RHBJLZAPLIBHJA-CABCVRRESA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1F ZINC001445824419 1091706680 /nfs/dbraw/zinc/70/66/80/1091706680.db2.gz RHBJLZAPLIBHJA-CABCVRRESA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@H+](C)CCc1ccccc1F ZINC001445824419 1091706685 /nfs/dbraw/zinc/70/66/85/1091706685.db2.gz RHBJLZAPLIBHJA-CABCVRRESA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[N@@H+](C)CCc1ccccc1F ZINC001445824419 1091706694 /nfs/dbraw/zinc/70/66/94/1091706694.db2.gz RHBJLZAPLIBHJA-CABCVRRESA-N 2 2 346.450 2.407 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1F ZINC001439127813 1091773247 /nfs/dbraw/zinc/77/32/47/1091773247.db2.gz IICXALAQKACAQW-ZBFHGGJFSA-N 2 2 344.434 2.188 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC001439217707 1091862578 /nfs/dbraw/zinc/86/25/78/1091862578.db2.gz XQTCKLHPEYIOKC-INIZCTEOSA-N 2 2 340.471 2.365 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001439220442 1091864754 /nfs/dbraw/zinc/86/47/54/1091864754.db2.gz BAKUNVMFKBBXJJ-JKSUJKDBSA-N 2 2 326.444 2.048 10 0 EEAELP O=C(N[C@H](C[NH2+]Cc1ccccc1)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445961738 1091910858 /nfs/dbraw/zinc/91/08/58/1091910858.db2.gz ROUQGQKSWNFESZ-QZTJIDSGSA-N 2 2 338.455 2.130 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC(F)(F)F)[NH+]1CCCC1 ZINC001446131036 1092178503 /nfs/dbraw/zinc/17/85/03/1092178503.db2.gz UCJAQMVNKZRJDF-KGLIPLIRSA-N 2 2 335.414 2.250 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1CCC(F)(F)F)[NH+]1CCCC1 ZINC001446131036 1092178505 /nfs/dbraw/zinc/17/85/05/1092178505.db2.gz UCJAQMVNKZRJDF-KGLIPLIRSA-N 2 2 335.414 2.250 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)c1ccccc1 ZINC001446222186 1092321440 /nfs/dbraw/zinc/32/14/40/1092321440.db2.gz WXVXAMQEVCOSCJ-RDJZCZTQSA-N 2 2 338.455 2.445 10 0 EEAELP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1c(C)nsc1C ZINC001439568092 1092452206 /nfs/dbraw/zinc/45/22/06/1092452206.db2.gz RBHGUXHLORSWKD-OAHLLOKOSA-N 2 2 338.521 2.182 10 0 EEAELP CCC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1c(C)nsc1C ZINC001439568092 1092452210 /nfs/dbraw/zinc/45/22/10/1092452210.db2.gz RBHGUXHLORSWKD-OAHLLOKOSA-N 2 2 338.521 2.182 10 0 EEAELP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)nsc1C ZINC001439568092 1092452212 /nfs/dbraw/zinc/45/22/12/1092452212.db2.gz RBHGUXHLORSWKD-OAHLLOKOSA-N 2 2 338.521 2.182 10 0 EEAELP CCC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1c(C)nsc1C ZINC001439568092 1092452215 /nfs/dbraw/zinc/45/22/15/1092452215.db2.gz RBHGUXHLORSWKD-OAHLLOKOSA-N 2 2 338.521 2.182 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+](C[C@@H]1CCOC1)C1CCCCCC1 ZINC001439685395 1092629038 /nfs/dbraw/zinc/62/90/38/1092629038.db2.gz BYQVMXUYMHGRKF-INIZCTEOSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+](C[C@@H]1CCOC1)C1CCCCCC1 ZINC001439685395 1092629042 /nfs/dbraw/zinc/62/90/42/1092629042.db2.gz BYQVMXUYMHGRKF-INIZCTEOSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2cccc(F)c2)C1 ZINC001440235429 1093319892 /nfs/dbraw/zinc/31/98/92/1093319892.db2.gz AXSVKFDQMISICE-YJBOKZPZSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2cccc(F)c2)C1 ZINC001440235429 1093319902 /nfs/dbraw/zinc/31/99/02/1093319902.db2.gz AXSVKFDQMISICE-YJBOKZPZSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001440235429 1093319910 /nfs/dbraw/zinc/31/99/10/1093319910.db2.gz AXSVKFDQMISICE-YJBOKZPZSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001440235429 1093319920 /nfs/dbraw/zinc/31/99/20/1093319920.db2.gz AXSVKFDQMISICE-YJBOKZPZSA-N 2 2 333.451 2.200 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001440391218 1093566274 /nfs/dbraw/zinc/56/62/74/1093566274.db2.gz RXLCMRHMBLRJQW-GOEBONIOSA-N 2 2 332.473 2.409 10 0 EEAELP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001440660653 1093930272 /nfs/dbraw/zinc/93/02/72/1093930272.db2.gz DZBKKMRXESUQAU-IRXDYDNUSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1Cc1cncs1 ZINC001449015078 1094016714 /nfs/dbraw/zinc/01/67/14/1094016714.db2.gz JYGZNPYTFKDWTR-DZGCQCFKSA-N 2 2 336.505 2.097 10 0 EEAELP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1Cc1cncs1 ZINC001449015078 1094016719 /nfs/dbraw/zinc/01/67/19/1094016719.db2.gz JYGZNPYTFKDWTR-DZGCQCFKSA-N 2 2 336.505 2.097 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC001449063523 1094078754 /nfs/dbraw/zinc/07/87/54/1094078754.db2.gz VVLBFXKLVLEFCF-UONOGXRCSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)s1 ZINC001449063523 1094078763 /nfs/dbraw/zinc/07/87/63/1094078763.db2.gz VVLBFXKLVLEFCF-UONOGXRCSA-N 2 2 347.488 2.182 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001449311853 1094265658 /nfs/dbraw/zinc/26/56/58/1094265658.db2.gz DQTXSKNQLNFDHV-INIZCTEOSA-N 2 2 332.423 2.343 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)s1 ZINC001441229233 1094605992 /nfs/dbraw/zinc/60/59/92/1094605992.db2.gz APTCCPJILZPYEM-WBMJQRKESA-N 2 2 347.488 2.284 10 0 EEAELP Cc1csc(C[NH2+][C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)n1 ZINC001441234168 1094617478 /nfs/dbraw/zinc/61/74/78/1094617478.db2.gz MSZAJJOARMNXRT-HIFRSBDPSA-N 2 2 347.488 2.284 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001442277664 1096587184 /nfs/dbraw/zinc/58/71/84/1096587184.db2.gz UHSRMXXGNOKWCK-GDBMZVCRSA-N 2 2 344.434 2.269 10 0 EEAELP C[C@@H](F)CC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001442787641 1097165032 /nfs/dbraw/zinc/16/50/32/1097165032.db2.gz TZILRTMXGWKMLP-GDBMZVCRSA-N 2 2 336.455 2.091 10 0 EEAELP C[C@@H](F)CC[N@H+]1CCC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001442787641 1097165036 /nfs/dbraw/zinc/16/50/36/1097165036.db2.gz TZILRTMXGWKMLP-GDBMZVCRSA-N 2 2 336.455 2.091 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC1C[NH+](Cc2ccc3ccccc3c2)C1 ZINC001443554881 1098046775 /nfs/dbraw/zinc/04/67/75/1098046775.db2.gz KLZZEDRCEIVWPW-UHFFFAOYSA-N 2 2 325.456 2.480 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](Cc2ccc3ccccc3c2)C1 ZINC001443554881 1098046783 /nfs/dbraw/zinc/04/67/83/1098046783.db2.gz KLZZEDRCEIVWPW-UHFFFAOYSA-N 2 2 325.456 2.480 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+][C@H]1CCc2ccccc21 ZINC001444325213 1098888166 /nfs/dbraw/zinc/88/81/66/1098888166.db2.gz OPZWKKYCQKRHBT-KDOFPFPSSA-N 2 2 326.444 2.372 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+][C@H]1CCc2ccccc21 ZINC001444325213 1098888174 /nfs/dbraw/zinc/88/81/74/1098888174.db2.gz OPZWKKYCQKRHBT-KDOFPFPSSA-N 2 2 326.444 2.372 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001479973108 1099421549 /nfs/dbraw/zinc/42/15/49/1099421549.db2.gz WRCDDQDSGVQYED-RBUKOAKNSA-N 2 2 347.503 2.152 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001479973108 1099421555 /nfs/dbraw/zinc/42/15/55/1099421555.db2.gz WRCDDQDSGVQYED-RBUKOAKNSA-N 2 2 347.503 2.152 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001444635502 1099462595 /nfs/dbraw/zinc/46/25/95/1099462595.db2.gz KAOGQIAKXNRNQP-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001480488977 1100298968 /nfs/dbraw/zinc/29/89/68/1100298968.db2.gz CKPFYVZEYKTQAF-DZGCQCFKSA-N 2 2 346.862 2.393 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001480551990 1100388734 /nfs/dbraw/zinc/38/87/34/1100388734.db2.gz AYPGUPGAXXYPSQ-ZIAGYGMSSA-N 2 2 339.443 2.364 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001480551990 1100388740 /nfs/dbraw/zinc/38/87/40/1100388740.db2.gz AYPGUPGAXXYPSQ-ZIAGYGMSSA-N 2 2 339.443 2.364 10 0 EEAELP C[C@H]([NH2+]CCOC1CCC1)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001496445189 1101035731 /nfs/dbraw/zinc/03/57/31/1101035731.db2.gz QLCWJFIUVKORHC-IRXDYDNUSA-N 2 2 348.491 2.059 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001495417518 1101137106 /nfs/dbraw/zinc/13/71/06/1101137106.db2.gz CAUJBPIDGOBDAZ-KRWDZBQOSA-N 2 2 330.476 2.074 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)CNC(=O)c2c(C)cc(C)[nH+]c2C)ncn1 ZINC001495708300 1101466866 /nfs/dbraw/zinc/46/68/66/1101466866.db2.gz DGEJXTOHJUDXQR-GFCCVEGCSA-N 2 2 341.459 2.261 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001495747886 1101525276 /nfs/dbraw/zinc/52/52/76/1101525276.db2.gz OCNDWIIUBIDRBT-JKSUJKDBSA-N 2 2 340.471 2.099 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001495769492 1101566394 /nfs/dbraw/zinc/56/63/94/1101566394.db2.gz DLHQYBVHQRQHMQ-ZDUSSCGKSA-N 2 2 334.851 2.190 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C\Cl)C2 ZINC001446921445 1101598053 /nfs/dbraw/zinc/59/80/53/1101598053.db2.gz FJWHRTGGRDIUCE-IRPSQCSASA-N 2 2 336.867 2.074 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC001446921445 1101598066 /nfs/dbraw/zinc/59/80/66/1101598066.db2.gz FJWHRTGGRDIUCE-IRPSQCSASA-N 2 2 336.867 2.074 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@H](O)C[NH2+]CC2=CCCCC2)c(C)[nH+]1 ZINC001497021433 1101843516 /nfs/dbraw/zinc/84/35/16/1101843516.db2.gz AWRLOZQZBIIDSJ-QGZVFWFLSA-N 2 2 331.460 2.188 10 0 EEAELP CCc1noc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001496174181 1102172560 /nfs/dbraw/zinc/17/25/60/1102172560.db2.gz XJFVIKLUFMMESV-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(C)c(F)c1 ZINC001497317642 1102310397 /nfs/dbraw/zinc/31/03/97/1102310397.db2.gz NCJXRWBISNXDIM-CYBMUJFWSA-N 2 2 332.423 2.393 10 0 EEAELP CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)Cc1c[nH+]c[nH]1 ZINC001497459769 1102521065 /nfs/dbraw/zinc/52/10/65/1102521065.db2.gz GRVGZVYKUBPZTQ-UHFFFAOYSA-N 2 2 326.400 2.337 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001497614511 1102754217 /nfs/dbraw/zinc/75/42/17/1102754217.db2.gz JLHOTDJFVCDXJJ-NFAHFFEMSA-N 2 2 334.464 2.044 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC001497614511 1102754225 /nfs/dbraw/zinc/75/42/25/1102754225.db2.gz JLHOTDJFVCDXJJ-NFAHFFEMSA-N 2 2 334.464 2.044 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001447947019 1103666915 /nfs/dbraw/zinc/66/69/15/1103666915.db2.gz UPLPLEHGADRRSG-RYUDHWBXSA-N 2 2 338.814 2.359 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCC1CCCC1 ZINC001448043906 1103882646 /nfs/dbraw/zinc/88/26/46/1103882646.db2.gz IZXGLSUXKBSOIV-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCC1CCCC1 ZINC001448043906 1103882651 /nfs/dbraw/zinc/88/26/51/1103882651.db2.gz IZXGLSUXKBSOIV-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001494387884 1103974101 /nfs/dbraw/zinc/97/41/01/1103974101.db2.gz UDRRIUIENOPLMV-LBPRGKRZSA-N 2 2 340.418 2.242 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)s1 ZINC001498199307 1107069374 /nfs/dbraw/zinc/06/93/74/1107069374.db2.gz XXIMOYXTIOZTIW-GUYCJALGSA-N 2 2 346.500 2.349 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)c1ccccc1 ZINC001454580520 1107410951 /nfs/dbraw/zinc/41/09/51/1107410951.db2.gz VOLYCHHKXGJYPB-WOJBJXKFSA-N 2 2 337.467 2.332 10 0 EEAELP CCCCC[N@@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001493208244 1107684859 /nfs/dbraw/zinc/68/48/59/1107684859.db2.gz XEEOYAIUJCFHGW-CRAIPNDOSA-N 2 2 347.507 2.418 10 0 EEAELP CCCCC[N@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001493208244 1107684872 /nfs/dbraw/zinc/68/48/72/1107684872.db2.gz XEEOYAIUJCFHGW-CRAIPNDOSA-N 2 2 347.507 2.418 10 0 EEAELP CCCCC[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001493208244 1107684881 /nfs/dbraw/zinc/68/48/81/1107684881.db2.gz XEEOYAIUJCFHGW-CRAIPNDOSA-N 2 2 347.507 2.418 10 0 EEAELP CCCCC[NH+]1CC[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001493208244 1107684894 /nfs/dbraw/zinc/68/48/94/1107684894.db2.gz XEEOYAIUJCFHGW-CRAIPNDOSA-N 2 2 347.507 2.418 10 0 EEAELP CC(C)c1cccc(C[N@@H+]2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001493268524 1107818449 /nfs/dbraw/zinc/81/84/49/1107818449.db2.gz FLQFOFMJHVVOMC-INIZCTEOSA-N 2 2 341.459 2.040 10 0 EEAELP CC(C)c1cccc(C[N@H+]2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001493268524 1107818464 /nfs/dbraw/zinc/81/84/64/1107818464.db2.gz FLQFOFMJHVVOMC-INIZCTEOSA-N 2 2 341.459 2.040 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001498862491 1108240531 /nfs/dbraw/zinc/24/05/31/1108240531.db2.gz PQGUNUQXDUZGDC-KRWDZBQOSA-N 2 2 348.397 2.223 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001499050421 1108506935 /nfs/dbraw/zinc/50/69/35/1108506935.db2.gz ODECKHDUELMGIJ-JSGCOSHPSA-N 2 2 325.403 2.168 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001499050421 1108506944 /nfs/dbraw/zinc/50/69/44/1108506944.db2.gz ODECKHDUELMGIJ-JSGCOSHPSA-N 2 2 325.403 2.168 10 0 EEAELP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001472330136 1110552051 /nfs/dbraw/zinc/55/20/51/1110552051.db2.gz AWHNJVCRARTLDH-ZWKOTPCHSA-N 2 2 344.503 2.483 10 0 EEAELP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)c1cnc(C)cn1 ZINC001479265993 1110672416 /nfs/dbraw/zinc/67/24/16/1110672416.db2.gz WIGMUPIERJLLRY-IRXDYDNUSA-N 2 2 347.507 2.111 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)c1cnc(C)cn1 ZINC001479265993 1110672417 /nfs/dbraw/zinc/67/24/17/1110672417.db2.gz WIGMUPIERJLLRY-IRXDYDNUSA-N 2 2 347.507 2.111 10 0 EEAELP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)c1cnc(C)cn1 ZINC001479265993 1110672418 /nfs/dbraw/zinc/67/24/18/1110672418.db2.gz WIGMUPIERJLLRY-IRXDYDNUSA-N 2 2 347.507 2.111 10 0 EEAELP CCC[NH+](C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H](C)c1cnc(C)cn1 ZINC001479265993 1110672419 /nfs/dbraw/zinc/67/24/19/1110672419.db2.gz WIGMUPIERJLLRY-IRXDYDNUSA-N 2 2 347.507 2.111 10 0 EEAELP CC(C)COCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001499263387 1112206707 /nfs/dbraw/zinc/20/67/07/1112206707.db2.gz FIYPOPWATANVGM-UHFFFAOYSA-N 2 2 330.432 2.088 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)cc1 ZINC001499917512 1112540076 /nfs/dbraw/zinc/54/00/76/1112540076.db2.gz MAWGMGUEVNNBKQ-IBGZPJMESA-N 2 2 340.471 2.405 10 0 EEAELP COCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001501057543 1113183688 /nfs/dbraw/zinc/18/36/88/1113183688.db2.gz CDHDTPLMWCQWAG-CVEARBPZSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001501697205 1113439290 /nfs/dbraw/zinc/43/92/90/1113439290.db2.gz SUUKWZNDDFTFEU-SHTZXODSSA-N 2 2 345.447 2.104 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001501697205 1113439293 /nfs/dbraw/zinc/43/92/93/1113439293.db2.gz SUUKWZNDDFTFEU-SHTZXODSSA-N 2 2 345.447 2.104 10 0 EEAELP CN(CCC[N@H+](C)Cc1cncs1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001502390705 1113661297 /nfs/dbraw/zinc/66/12/97/1113661297.db2.gz OUGBPXQOJQYQRJ-UHFFFAOYSA-N 2 2 335.477 2.124 10 0 EEAELP CN(CCC[N@@H+](C)Cc1cncs1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001502390705 1113661298 /nfs/dbraw/zinc/66/12/98/1113661298.db2.gz OUGBPXQOJQYQRJ-UHFFFAOYSA-N 2 2 335.477 2.124 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2nocc2C)CC1(C)C ZINC001502837109 1113830060 /nfs/dbraw/zinc/83/00/60/1113830060.db2.gz XLVPUYPRXNKVFS-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2nocc2C)CC1(C)C ZINC001502837109 1113830066 /nfs/dbraw/zinc/83/00/66/1113830066.db2.gz XLVPUYPRXNKVFS-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2nocc2C)CC1(C)C ZINC001502837109 1113830069 /nfs/dbraw/zinc/83/00/69/1113830069.db2.gz XLVPUYPRXNKVFS-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2nocc2C)CC1(C)C ZINC001502837109 1113830074 /nfs/dbraw/zinc/83/00/74/1113830074.db2.gz XLVPUYPRXNKVFS-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001505633637 1114098668 /nfs/dbraw/zinc/09/86/68/1114098668.db2.gz RSPQGVGPIDQZHL-MNOVXSKESA-N 2 2 341.415 2.464 10 0 EEAELP CCc1ccccc1CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505719576 1114149808 /nfs/dbraw/zinc/14/98/08/1114149808.db2.gz DNSBBJKASAHABJ-GJZGRUSLSA-N 2 2 328.460 2.240 10 0 EEAELP C[C@H](CC(=O)N(C)C1CCC([NH2+]Cc2ccon2)CC1)n1cc[nH+]c1 ZINC001505786476 1114192102 /nfs/dbraw/zinc/19/21/02/1114192102.db2.gz ZMGGBWFOPGDRLE-HPUBIQBYSA-N 2 2 345.447 2.382 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cncs1 ZINC001505838843 1114225792 /nfs/dbraw/zinc/22/57/92/1114225792.db2.gz JKUXRNVMZFCDOJ-CYBMUJFWSA-N 2 2 349.504 2.319 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C[NH2+]Cc1cncs1 ZINC001505838843 1114225797 /nfs/dbraw/zinc/22/57/97/1114225797.db2.gz JKUXRNVMZFCDOJ-CYBMUJFWSA-N 2 2 349.504 2.319 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccn(C(C)C)n2)CC[N@@H+]1C ZINC001505922327 1114278488 /nfs/dbraw/zinc/27/84/88/1114278488.db2.gz LYLBQPJAQFUTRK-BPQIPLTHSA-N 2 2 349.523 2.131 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccn(C(C)C)n2)CC[N@H+]1C ZINC001505922327 1114278490 /nfs/dbraw/zinc/27/84/90/1114278490.db2.gz LYLBQPJAQFUTRK-BPQIPLTHSA-N 2 2 349.523 2.131 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc2ccn(C(C)C)n2)CC[NH+]1C ZINC001505922327 1114278492 /nfs/dbraw/zinc/27/84/92/1114278492.db2.gz LYLBQPJAQFUTRK-BPQIPLTHSA-N 2 2 349.523 2.131 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccn(C(C)C)n2)CC[NH+]1C ZINC001505922327 1114278494 /nfs/dbraw/zinc/27/84/94/1114278494.db2.gz LYLBQPJAQFUTRK-BPQIPLTHSA-N 2 2 349.523 2.131 10 0 EEAELP CC(C)[C@@H](CCN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cncs1 ZINC001506488397 1114644134 /nfs/dbraw/zinc/64/41/34/1114644134.db2.gz XXEKUDSKMJIMEC-CQSZACIVSA-N 2 2 335.477 2.072 10 0 EEAELP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001506741947 1114852985 /nfs/dbraw/zinc/85/29/85/1114852985.db2.gz MSPLFTBLSISBRT-BFYDXBDKSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001506741947 1114852989 /nfs/dbraw/zinc/85/29/89/1114852989.db2.gz MSPLFTBLSISBRT-BFYDXBDKSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001506741947 1114852991 /nfs/dbraw/zinc/85/29/91/1114852991.db2.gz MSPLFTBLSISBRT-BFYDXBDKSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001506741947 1114852994 /nfs/dbraw/zinc/85/29/94/1114852994.db2.gz MSPLFTBLSISBRT-BFYDXBDKSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506787710 1114882596 /nfs/dbraw/zinc/88/25/96/1114882596.db2.gz APGFYTWGVBDFPY-DDBAPUKQSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001506787710 1114882600 /nfs/dbraw/zinc/88/26/00/1114882600.db2.gz APGFYTWGVBDFPY-DDBAPUKQSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001506787710 1114882605 /nfs/dbraw/zinc/88/26/05/1114882605.db2.gz APGFYTWGVBDFPY-DDBAPUKQSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001506787710 1114882610 /nfs/dbraw/zinc/88/26/10/1114882610.db2.gz APGFYTWGVBDFPY-DDBAPUKQSA-N 2 2 332.492 2.319 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)sn1 ZINC001506899240 1114959208 /nfs/dbraw/zinc/95/92/08/1114959208.db2.gz UKPGXYXYZCFIIM-RBSFLKMASA-N 2 2 347.488 2.284 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccncc1Cl ZINC001506945335 1114993693 /nfs/dbraw/zinc/99/36/93/1114993693.db2.gz JWFONDDVJWOBOD-LBPRGKRZSA-N 2 2 349.866 2.384 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H](C[NH2+]Cc1nccs1)C1CC1 ZINC001507032262 1115069277 /nfs/dbraw/zinc/06/92/77/1115069277.db2.gz GMFHKMDBRLMTOJ-ZDUSSCGKSA-N 2 2 347.488 2.171 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001507290376 1115176269 /nfs/dbraw/zinc/17/62/69/1115176269.db2.gz XWBQIMVVEUQAIN-YPMHNXCESA-N 2 2 332.370 2.264 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H]([NH2+]CCCC2CCOCC2)C[C@@H]1C ZINC001507330293 1115196117 /nfs/dbraw/zinc/19/61/17/1115196117.db2.gz YYTYEMLDOAEQHQ-WMLDXEAASA-N 2 2 348.491 2.046 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)o1 ZINC001508028750 1115393003 /nfs/dbraw/zinc/39/30/03/1115393003.db2.gz LHUGAUFYUGVFHQ-HNNXBMFYSA-N 2 2 347.463 2.132 10 0 EEAELP Cc1ccncc1C[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001508063793 1115407939 /nfs/dbraw/zinc/40/79/39/1115407939.db2.gz FSLPHQCSAJOVPI-OAHLLOKOSA-N 2 2 341.459 2.073 10 0 EEAELP C[C@@H]1C[N@H+](CCCOC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001519458020 1119080515 /nfs/dbraw/zinc/08/05/15/1119080515.db2.gz BKMGCPZZINANPL-OAHLLOKOSA-N 2 2 329.400 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](CCCOC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC001519458020 1119080520 /nfs/dbraw/zinc/08/05/20/1119080520.db2.gz BKMGCPZZINANPL-OAHLLOKOSA-N 2 2 329.400 2.140 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001568075581 1124281212 /nfs/dbraw/zinc/28/12/12/1124281212.db2.gz DLXPOAWILOEOHO-OAHLLOKOSA-N 2 2 347.488 2.067 10 0 EEAELP CCCC[NH2+][C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001568460310 1124523490 /nfs/dbraw/zinc/52/34/90/1124523490.db2.gz GYSSJBKPQPPLPK-QZTJIDSGSA-N 2 2 339.524 2.160 10 0 EEAELP CCCC[NH2+][C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001568460310 1124523497 /nfs/dbraw/zinc/52/34/97/1124523497.db2.gz GYSSJBKPQPPLPK-QZTJIDSGSA-N 2 2 339.524 2.160 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001568535608 1124597315 /nfs/dbraw/zinc/59/73/15/1124597315.db2.gz FWVPLGZZVNPFMV-XJKSGUPXSA-N 2 2 332.473 2.131 10 0 EEAELP CCc1ccc(C[NH2+]C/C=C/CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001568954654 1124989842 /nfs/dbraw/zinc/98/98/42/1124989842.db2.gz QPUOSSBPGVKEFD-SNAWJCMRSA-N 2 2 326.444 2.285 10 0 EEAELP CN(CCC[NH2+]Cc1sccc1Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001569252045 1125196113 /nfs/dbraw/zinc/19/61/13/1125196113.db2.gz SFVFVILPSJZZPC-UHFFFAOYSA-N 2 2 326.853 2.305 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C)c1cccc(F)c1 ZINC001569257304 1125199855 /nfs/dbraw/zinc/19/98/55/1125199855.db2.gz BPELZGHDEAYLPJ-CQSZACIVSA-N 2 2 332.423 2.301 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CCc1c[nH+]cn1C ZINC001569261867 1125203354 /nfs/dbraw/zinc/20/33/54/1125203354.db2.gz GECHUFCGZZZSMR-ZACQAIPSSA-N 2 2 332.492 2.227 10 0 EEAELP CCc1nc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cs1 ZINC000071859658 202354875 /nfs/dbraw/zinc/35/48/75/202354875.db2.gz HXOVOLBCCZAWCV-ZDUSSCGKSA-N 2 2 332.477 2.296 10 0 EEAELP CCC[NH+]1CCC([NH+]2CCN(C(=O)/C=C\c3cccnc3)CC2)CC1 ZINC000096298444 201376167 /nfs/dbraw/zinc/37/61/67/201376167.db2.gz IZMCEGPLXBMRKJ-WAYWQWQTSA-N 2 2 342.487 2.113 10 0 EEAELP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422775653 240220396 /nfs/dbraw/zinc/22/03/96/240220396.db2.gz AZGAIFZZGWYMMW-QHAWAJNXSA-N 2 2 343.515 2.398 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCC(=O)NC(C)(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422953295 240306688 /nfs/dbraw/zinc/30/66/88/240306688.db2.gz FDZQJZMNGNGZOK-SJLPKXTDSA-N 2 2 333.476 2.383 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000422928794 240292998 /nfs/dbraw/zinc/29/29/98/240292998.db2.gz MQZNXMOKZCYMBH-UWVGGRQHSA-N 2 2 338.253 2.450 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000422928794 240293005 /nfs/dbraw/zinc/29/30/05/240293005.db2.gz MQZNXMOKZCYMBH-UWVGGRQHSA-N 2 2 338.253 2.450 10 0 EEAELP CC(C)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000438484158 242022517 /nfs/dbraw/zinc/02/25/17/242022517.db2.gz PYTJQFIBKIROIN-MRXNPFEDSA-N 2 2 335.517 2.370 10 0 EEAELP CC(C)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000438484158 242022523 /nfs/dbraw/zinc/02/25/23/242022523.db2.gz PYTJQFIBKIROIN-MRXNPFEDSA-N 2 2 335.517 2.370 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)n1c(N)[nH+]c2cc(Br)ccc21 ZINC000049510212 204395368 /nfs/dbraw/zinc/39/53/68/204395368.db2.gz CCWCFHOPGKKFKB-JTQLQIEISA-N 2 2 339.237 2.274 10 0 EEAELP CCC[C@H](C(=O)N1CC[NH+](Cc2ccccc2OC)CC1)[NH+](C)C ZINC000132762878 205340036 /nfs/dbraw/zinc/34/00/36/205340036.db2.gz IBTPUPLYYODNOZ-QGZVFWFLSA-N 2 2 333.476 2.070 10 0 EEAELP C[C@@H]([NH3+])C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000158136120 206176797 /nfs/dbraw/zinc/17/67/97/206176797.db2.gz AZJSCRPKBJNJFB-LLVKDONJSA-N 2 2 330.259 2.027 10 0 EEAELP COc1c(C)c[nH+]c(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000162191069 206390437 /nfs/dbraw/zinc/39/04/37/206390437.db2.gz ILLLSGUESVKUQI-UHFFFAOYSA-N 3 2 334.508 2.165 10 0 EEAELP COc1c(C)c[nH+]c(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000162191069 206390440 /nfs/dbraw/zinc/39/04/40/206390440.db2.gz ILLLSGUESVKUQI-UHFFFAOYSA-N 3 2 334.508 2.165 10 0 EEAELP COc1cc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)ccc1OCC[NH+](C)C ZINC000416332821 532972536 /nfs/dbraw/zinc/97/25/36/532972536.db2.gz IQSXPHGRWHTNAY-UHFFFAOYSA-N 2 2 346.431 2.275 10 0 EEAELP COc1cc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)ccc1OCC[NH+](C)C ZINC000416332821 532972539 /nfs/dbraw/zinc/97/25/39/532972539.db2.gz IQSXPHGRWHTNAY-UHFFFAOYSA-N 2 2 346.431 2.275 10 0 EEAELP CC[NH+](CC)CCCC1CCN(c2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000195273299 256008786 /nfs/dbraw/zinc/00/87/86/256008786.db2.gz RERKJGBNMZLXBL-UHFFFAOYSA-N 2 2 345.495 2.284 10 0 EEAELP CC(C)[NH+](CCCNC(=O)NCc1ccc[nH+]c1N(C)C)C(C)C ZINC000074850863 292178223 /nfs/dbraw/zinc/17/82/23/292178223.db2.gz DOVNHMJCWZJPMT-UHFFFAOYSA-N 2 2 335.496 2.456 10 0 EEAELP c1cc(N[C@@H]2CCCC[C@H]2[C@H]2CCOC2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423229633 296605442 /nfs/dbraw/zinc/60/54/42/296605442.db2.gz HKZIGPCCHRHMPG-RYQLBKOJSA-N 2 2 330.476 2.498 10 0 EEAELP CCC[N@H+](Cc1nncn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477345 292231725 /nfs/dbraw/zinc/23/17/25/292231725.db2.gz GFOJNDZFYDUXIF-UHFFFAOYSA-N 2 2 343.479 2.103 10 0 EEAELP CCC[N@@H+](Cc1nncn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477345 292231726 /nfs/dbraw/zinc/23/17/26/292231726.db2.gz GFOJNDZFYDUXIF-UHFFFAOYSA-N 2 2 343.479 2.103 10 0 EEAELP Cc1ccc(N2CCC(NC(=O)NCC[NH+]3CCCCC3)CC2)[nH+]c1 ZINC000173885230 152206593 /nfs/dbraw/zinc/20/65/93/152206593.db2.gz WYNBTHBIZCOCPA-UHFFFAOYSA-N 2 2 345.491 2.144 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCC1(c2ccccc2)CC1 ZINC000374211670 154006036 /nfs/dbraw/zinc/00/60/36/154006036.db2.gz MHOLANXLOOZQJE-UHFFFAOYSA-N 2 2 338.455 2.437 10 0 EEAELP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCn2cc[nH+]c21 ZINC000248781121 160360975 /nfs/dbraw/zinc/36/09/75/160360975.db2.gz VJDJXOWFIGOUEJ-ROUUACIJSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCn2cc[nH+]c21 ZINC000248781121 160360976 /nfs/dbraw/zinc/36/09/76/160360976.db2.gz VJDJXOWFIGOUEJ-ROUUACIJSA-N 2 2 338.455 2.399 10 0 EEAELP CC[NH+]1CCC([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000077248654 159097912 /nfs/dbraw/zinc/09/79/12/159097912.db2.gz ZGUDFQAANGEBFP-ZDUSSCGKSA-N 2 2 335.414 2.203 10 0 EEAELP CC[NH+]1CCC([N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000077248654 159097915 /nfs/dbraw/zinc/09/79/15/159097915.db2.gz ZGUDFQAANGEBFP-ZDUSSCGKSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649438 160184600 /nfs/dbraw/zinc/18/46/00/160184600.db2.gz GALBKAHVLNZGIX-KDURUIRLSA-N 2 2 329.488 2.227 10 0 EEAELP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649438 160184602 /nfs/dbraw/zinc/18/46/02/160184602.db2.gz GALBKAHVLNZGIX-KDURUIRLSA-N 2 2 329.488 2.227 10 0 EEAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193649438 160184603 /nfs/dbraw/zinc/18/46/03/160184603.db2.gz GALBKAHVLNZGIX-KDURUIRLSA-N 2 2 329.488 2.227 10 0 EEAELP CCCN(Cc1ccc(C)cc1)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193649438 160184605 /nfs/dbraw/zinc/18/46/05/160184605.db2.gz GALBKAHVLNZGIX-KDURUIRLSA-N 2 2 329.488 2.227 10 0 EEAELP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000246990688 160304906 /nfs/dbraw/zinc/30/49/06/160304906.db2.gz AXRKHMDSALCAHT-CVEARBPZSA-N 2 2 336.480 2.014 10 0 EEAELP CCOCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000246990688 160304908 /nfs/dbraw/zinc/30/49/08/160304908.db2.gz AXRKHMDSALCAHT-CVEARBPZSA-N 2 2 336.480 2.014 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000247394086 160323418 /nfs/dbraw/zinc/32/34/18/160323418.db2.gz XNLZHLYTKHYZQF-JKSUJKDBSA-N 2 2 333.432 2.253 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000247394086 160323419 /nfs/dbraw/zinc/32/34/19/160323419.db2.gz XNLZHLYTKHYZQF-JKSUJKDBSA-N 2 2 333.432 2.253 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248174389 160339695 /nfs/dbraw/zinc/33/96/95/160339695.db2.gz VIORCEQNSUQNSF-FUHWJXTLSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248174389 160339697 /nfs/dbraw/zinc/33/96/97/160339697.db2.gz VIORCEQNSUQNSF-FUHWJXTLSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248174389 160339698 /nfs/dbraw/zinc/33/96/98/160339698.db2.gz VIORCEQNSUQNSF-FUHWJXTLSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248174389 160339700 /nfs/dbraw/zinc/33/97/00/160339700.db2.gz VIORCEQNSUQNSF-FUHWJXTLSA-N 2 2 333.451 2.200 10 0 EEAELP C[NH+](C)Cc1cnc(C[NH2+]Cc2ccnc(OC(F)F)c2)s1 ZINC000352855365 162314720 /nfs/dbraw/zinc/31/47/20/162314720.db2.gz CJGGLRGXYQDLCN-UHFFFAOYSA-N 2 2 328.388 2.491 10 0 EEAELP CS(=O)(=O)CCCCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000359419477 164130157 /nfs/dbraw/zinc/13/01/57/164130157.db2.gz ZRLDXRXRCHCAOB-UHFFFAOYSA-N 2 2 327.475 2.238 10 0 EEAELP Cc1cc[nH+]c(C)c1NC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000376674826 167373352 /nfs/dbraw/zinc/37/33/52/167373352.db2.gz UCQZNJDSUUQBTD-RDJZCZTQSA-N 2 2 345.491 2.188 10 0 EEAELP CCc1nnc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000274811684 269056968 /nfs/dbraw/zinc/05/69/68/269056968.db2.gz IBXXPEXUZDOTKG-DOTOQJQBSA-N 2 2 327.476 2.378 10 0 EEAELP CCc1nnc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000274811684 269056970 /nfs/dbraw/zinc/05/69/70/269056970.db2.gz IBXXPEXUZDOTKG-DOTOQJQBSA-N 2 2 327.476 2.378 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279137884 269264702 /nfs/dbraw/zinc/26/47/02/269264702.db2.gz ABRJNRXHXCYQSN-WMZOPIPTSA-N 2 2 345.487 2.496 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279137884 269264703 /nfs/dbraw/zinc/26/47/03/269264703.db2.gz ABRJNRXHXCYQSN-WMZOPIPTSA-N 2 2 345.487 2.496 10 0 EEAELP COC[C@@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCOCC1 ZINC000187757180 274027022 /nfs/dbraw/zinc/02/70/22/274027022.db2.gz OHRXBNSSTNBTCZ-LJQANCHMSA-N 2 2 329.444 2.463 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000068453620 274198002 /nfs/dbraw/zinc/19/80/02/274198002.db2.gz BKRCJAAWMNKGRT-AWEZNQCLSA-N 2 2 343.475 2.378 10 0 EEAELP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000068453620 274198004 /nfs/dbraw/zinc/19/80/04/274198004.db2.gz BKRCJAAWMNKGRT-AWEZNQCLSA-N 2 2 343.475 2.378 10 0 EEAELP Cc1cc[nH+]cc1CCC[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000289843364 275153979 /nfs/dbraw/zinc/15/39/79/275153979.db2.gz UWVKWTASLJWEOL-UHFFFAOYSA-N 2 2 344.434 2.483 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292139875 275382846 /nfs/dbraw/zinc/38/28/46/275382846.db2.gz MGPLNGACUUQYET-OXJNMPFZSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292139875 275382848 /nfs/dbraw/zinc/38/28/48/275382848.db2.gz MGPLNGACUUQYET-OXJNMPFZSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292139875 275382850 /nfs/dbraw/zinc/38/28/50/275382850.db2.gz MGPLNGACUUQYET-OXJNMPFZSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292139875 275382851 /nfs/dbraw/zinc/38/28/51/275382851.db2.gz MGPLNGACUUQYET-OXJNMPFZSA-N 2 2 327.472 2.382 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)[C@H]2CCC[C@@H]21 ZINC000453231054 277171972 /nfs/dbraw/zinc/17/19/72/277171972.db2.gz IDEBHFPJMBVBNA-SIXLDLHFSA-N 2 2 334.485 2.020 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)[C@H]2CCC[C@@H]21 ZINC000453231054 277171974 /nfs/dbraw/zinc/17/19/74/277171974.db2.gz IDEBHFPJMBVBNA-SIXLDLHFSA-N 2 2 334.485 2.020 10 0 EEAELP O=C(NCCCCC[NH+]1CCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000293972499 293340657 /nfs/dbraw/zinc/34/06/57/293340657.db2.gz QTENNLKAHYTVRI-UHFFFAOYSA-N 2 2 327.432 2.263 10 0 EEAELP COc1ccc(F)c(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000293998023 293346366 /nfs/dbraw/zinc/34/63/66/293346366.db2.gz FWCOGEAWGQZLQJ-UHFFFAOYSA-N 2 2 344.434 2.271 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2ccc(C3CCC3)cn2)CC1 ZINC000297100361 294151609 /nfs/dbraw/zinc/15/16/09/294151609.db2.gz PWZVWVOWOJPYPQ-UHFFFAOYSA-N 2 2 345.491 2.497 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000297589780 294288339 /nfs/dbraw/zinc/28/83/39/294288339.db2.gz CYOWLNMDVGAPTQ-MRXNPFEDSA-N 2 2 332.448 2.250 10 0 EEAELP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC3(CC[NH2+]3)CC2)nc[nH+]1 ZINC000333286776 312124933 /nfs/dbraw/zinc/12/49/33/312124933.db2.gz NMDKDCNRDBCHBE-CRAIPNDOSA-N 2 2 345.491 2.424 10 0 EEAELP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC3(CC[NH2+]3)CC2)[nH+]cn1 ZINC000333286776 312124935 /nfs/dbraw/zinc/12/49/35/312124935.db2.gz NMDKDCNRDBCHBE-CRAIPNDOSA-N 2 2 345.491 2.424 10 0 EEAELP COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414736971 313072631 /nfs/dbraw/zinc/07/26/31/313072631.db2.gz IARAOHJNUPCCMW-OCCSQVGLSA-N 2 2 326.387 2.328 10 0 EEAELP COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414736971 313072634 /nfs/dbraw/zinc/07/26/34/313072634.db2.gz IARAOHJNUPCCMW-OCCSQVGLSA-N 2 2 326.387 2.328 10 0 EEAELP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416947416 313369116 /nfs/dbraw/zinc/36/91/16/313369116.db2.gz YAZUQPRDWVYYQN-SMDDNHRTSA-N 2 2 335.839 2.399 10 0 EEAELP CC[C@@H]([NH3+])CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000417908033 313645066 /nfs/dbraw/zinc/64/50/66/313645066.db2.gz ATRSGOZOLOGCHE-WBVHZDCISA-N 2 2 329.448 2.278 10 0 EEAELP C[C@@H](CS(C)(=O)=O)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449147772 315423928 /nfs/dbraw/zinc/42/39/28/315423928.db2.gz RKKMHSARRLVQSV-HOTGVXAUSA-N 2 2 338.517 2.105 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)c1ccccc1CC[NH3+] ZINC000517753780 316689431 /nfs/dbraw/zinc/68/94/31/316689431.db2.gz ZLYJIXOHLFATGR-UHFFFAOYSA-N 2 2 328.460 2.499 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000525997530 317103163 /nfs/dbraw/zinc/10/31/63/317103163.db2.gz MHEAQMAPULDPAK-UHFFFAOYSA-N 2 2 331.464 2.316 10 0 EEAELP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000527497790 317201198 /nfs/dbraw/zinc/20/11/98/317201198.db2.gz BYMXENLWQCHECM-YESZJQIVSA-N 2 2 330.476 2.493 10 0 EEAELP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000529354945 317578787 /nfs/dbraw/zinc/57/87/87/317578787.db2.gz LKQDRZNYSXRRQE-QGZVFWFLSA-N 2 2 345.491 2.370 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(F)cc1 ZINC000538687087 318041183 /nfs/dbraw/zinc/04/11/83/318041183.db2.gz LFJWOONAGFUSMU-GOSISDBHSA-N 2 2 344.434 2.320 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1 ZINC000542159347 318122762 /nfs/dbraw/zinc/12/27/62/318122762.db2.gz BVYOQXFDBIOYJZ-CZUORRHYSA-N 2 2 330.407 2.401 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000543834012 318175290 /nfs/dbraw/zinc/17/52/90/318175290.db2.gz IPKXROVLDJMRRK-QGZVFWFLSA-N 2 2 345.491 2.096 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000543834012 318175291 /nfs/dbraw/zinc/17/52/91/318175291.db2.gz IPKXROVLDJMRRK-QGZVFWFLSA-N 2 2 345.491 2.096 10 0 EEAELP CN(C)c1nccc(C[N@@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000548018324 318345384 /nfs/dbraw/zinc/34/53/84/318345384.db2.gz JYCZJIHNOPZDFD-HNNXBMFYSA-N 2 2 326.448 2.065 10 0 EEAELP CN(C)c1nccc(C[N@H+]2CC[C@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000548018324 318345387 /nfs/dbraw/zinc/34/53/87/318345387.db2.gz JYCZJIHNOPZDFD-HNNXBMFYSA-N 2 2 326.448 2.065 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000563861309 319049315 /nfs/dbraw/zinc/04/93/15/319049315.db2.gz DQLSYWIRHHTNGX-QFBILLFUSA-N 2 2 333.451 2.110 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000563861309 319049318 /nfs/dbraw/zinc/04/93/18/319049318.db2.gz DQLSYWIRHHTNGX-QFBILLFUSA-N 2 2 333.451 2.110 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000564453506 319086204 /nfs/dbraw/zinc/08/62/04/319086204.db2.gz LYEQVNBNLHBDPR-AUUYWEPGSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(OC)c1 ZINC000564453506 319086207 /nfs/dbraw/zinc/08/62/07/319086207.db2.gz LYEQVNBNLHBDPR-AUUYWEPGSA-N 2 2 347.459 2.106 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000565694669 319204645 /nfs/dbraw/zinc/20/46/45/319204645.db2.gz SYLOVTCUZXFDCA-HOTGVXAUSA-N 2 2 333.480 2.114 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000565694669 319204646 /nfs/dbraw/zinc/20/46/46/319204646.db2.gz SYLOVTCUZXFDCA-HOTGVXAUSA-N 2 2 333.480 2.114 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000566416799 319284189 /nfs/dbraw/zinc/28/41/89/319284189.db2.gz OYHDMSYJXJKWDF-SMDDNHRTSA-N 2 2 343.265 2.175 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000566416799 319284191 /nfs/dbraw/zinc/28/41/91/319284191.db2.gz OYHDMSYJXJKWDF-SMDDNHRTSA-N 2 2 343.265 2.175 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2scnc2C2CC2)C1=O ZINC000567009153 319339629 /nfs/dbraw/zinc/33/96/29/319339629.db2.gz WPIUMXRGFPLUPY-ZDUSSCGKSA-N 2 2 345.472 2.035 10 0 EEAELP CC(C)[NH2+]C1(CO)CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000583572922 324691277 /nfs/dbraw/zinc/69/12/77/324691277.db2.gz GMNCSIVFTMTOHW-UHFFFAOYSA-N 2 2 340.471 2.469 10 0 EEAELP OCCNc1nc(N2CCC(n3cc[nH+]c3)CC2)[nH+]c2ccccc21 ZINC000601513464 450035064 /nfs/dbraw/zinc/03/50/64/450035064.db2.gz XWYDKHLNSQWJFR-UHFFFAOYSA-N 2 2 338.415 2.072 10 0 EEAELP Cc1nc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000631096022 451581243 /nfs/dbraw/zinc/58/12/43/451581243.db2.gz MIMJHHNACZKVQE-UHFFFAOYSA-N 2 2 326.448 2.111 10 0 EEAELP Cc1nc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000631096022 451581244 /nfs/dbraw/zinc/58/12/44/451581244.db2.gz MIMJHHNACZKVQE-UHFFFAOYSA-N 2 2 326.448 2.111 10 0 EEAELP Cc1nc(N)nc(N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000631096022 451581251 /nfs/dbraw/zinc/58/12/51/451581251.db2.gz MIMJHHNACZKVQE-UHFFFAOYSA-N 2 2 326.448 2.111 10 0 EEAELP Cc1nc(N)nc(N2CCC(C[N@H+](C)Cc3ccccc3)CC2)[nH+]1 ZINC000631096022 451581254 /nfs/dbraw/zinc/58/12/54/451581254.db2.gz MIMJHHNACZKVQE-UHFFFAOYSA-N 2 2 326.448 2.111 10 0 EEAELP Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000193286847 465028798 /nfs/dbraw/zinc/02/87/98/465028798.db2.gz XERGEKRUBYMDNT-HZPDHXFCSA-N 2 2 342.443 2.371 10 0 EEAELP Cc1nocc1C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000351589050 465238673 /nfs/dbraw/zinc/23/86/73/465238673.db2.gz LQKABFFLLDCEMS-UHFFFAOYSA-N 2 2 344.459 2.246 10 0 EEAELP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)o1 ZINC000154130342 462734312 /nfs/dbraw/zinc/73/43/12/462734312.db2.gz OYWRBMFIWCJKMT-SJPCQFCGSA-N 2 2 331.460 2.279 10 0 EEAELP Cc1cc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)o1 ZINC000154130342 462734313 /nfs/dbraw/zinc/73/43/13/462734313.db2.gz OYWRBMFIWCJKMT-SJPCQFCGSA-N 2 2 331.460 2.279 10 0 EEAELP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)c1cccc(OC)c1 ZINC000119035220 462869557 /nfs/dbraw/zinc/86/95/57/462869557.db2.gz PTLLVZCOMCOBIZ-GOSISDBHSA-N 2 2 348.491 2.211 10 0 EEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000156142233 462984945 /nfs/dbraw/zinc/98/49/45/462984945.db2.gz FBRBXJGFAQFTRU-QGZVFWFLSA-N 2 2 335.411 2.007 10 0 EEAELP CC(=O)Nc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093148086 463011983 /nfs/dbraw/zinc/01/19/83/463011983.db2.gz PCQNFAGXRVTWEV-LJQANCHMSA-N 2 2 344.503 2.247 10 0 EEAELP CC(=O)Nc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000093148086 463011985 /nfs/dbraw/zinc/01/19/85/463011985.db2.gz PCQNFAGXRVTWEV-LJQANCHMSA-N 2 2 344.503 2.247 10 0 EEAELP COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000095974245 463121041 /nfs/dbraw/zinc/12/10/41/463121041.db2.gz KZLPCNFGONHEPN-ZACQAIPSSA-N 2 2 343.471 2.407 10 0 EEAELP COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000095974245 463121044 /nfs/dbraw/zinc/12/10/44/463121044.db2.gz KZLPCNFGONHEPN-ZACQAIPSSA-N 2 2 343.471 2.407 10 0 EEAELP CC(C)(C)OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095980424 463124108 /nfs/dbraw/zinc/12/41/08/463124108.db2.gz TVCUTLOROCDSNT-ZDUSSCGKSA-N 2 2 327.856 2.033 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158802157 463253159 /nfs/dbraw/zinc/25/31/59/463253159.db2.gz GMFBIPOOLOVKLL-CABCVRRESA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158802157 463253162 /nfs/dbraw/zinc/25/31/62/463253162.db2.gz GMFBIPOOLOVKLL-CABCVRRESA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158802157 463253164 /nfs/dbraw/zinc/25/31/64/463253164.db2.gz GMFBIPOOLOVKLL-CABCVRRESA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158802157 463253169 /nfs/dbraw/zinc/25/31/69/463253169.db2.gz GMFBIPOOLOVKLL-CABCVRRESA-N 2 2 349.441 2.449 10 0 EEAELP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000080442426 463320235 /nfs/dbraw/zinc/32/02/35/463320235.db2.gz CZIRFHUBIFXSBB-OAHLLOKOSA-N 2 2 328.416 2.242 10 0 EEAELP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000080442426 463320238 /nfs/dbraw/zinc/32/02/38/463320238.db2.gz CZIRFHUBIFXSBB-OAHLLOKOSA-N 2 2 328.416 2.242 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000123658778 463359840 /nfs/dbraw/zinc/35/98/40/463359840.db2.gz OVIXGCGHOQXXJE-ZDUSSCGKSA-N 2 2 347.850 2.362 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000123658778 463359847 /nfs/dbraw/zinc/35/98/47/463359847.db2.gz OVIXGCGHOQXXJE-ZDUSSCGKSA-N 2 2 347.850 2.362 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc3nsnc32)[C@H](C)C1 ZINC000081095436 463394798 /nfs/dbraw/zinc/39/47/98/463394798.db2.gz SFFZKKSIBTYVKJ-IUODEOHRSA-N 2 2 347.488 2.292 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc3nsnc32)[C@H](C)C1 ZINC000081095436 463394800 /nfs/dbraw/zinc/39/48/00/463394800.db2.gz SFFZKKSIBTYVKJ-IUODEOHRSA-N 2 2 347.488 2.292 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc3nsnc32)[C@H](C)C1 ZINC000081095436 463394801 /nfs/dbraw/zinc/39/48/01/463394801.db2.gz SFFZKKSIBTYVKJ-IUODEOHRSA-N 2 2 347.488 2.292 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc3nsnc32)[C@H](C)C1 ZINC000081095436 463394803 /nfs/dbraw/zinc/39/48/03/463394803.db2.gz SFFZKKSIBTYVKJ-IUODEOHRSA-N 2 2 347.488 2.292 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000081094787 463395061 /nfs/dbraw/zinc/39/50/61/463395061.db2.gz VCNVRNKMWJKPPL-RHSMWYFYSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000081094787 463395067 /nfs/dbraw/zinc/39/50/67/463395067.db2.gz VCNVRNKMWJKPPL-RHSMWYFYSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000081094787 463395072 /nfs/dbraw/zinc/39/50/72/463395072.db2.gz VCNVRNKMWJKPPL-RHSMWYFYSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000081094787 463395077 /nfs/dbraw/zinc/39/50/77/463395077.db2.gz VCNVRNKMWJKPPL-RHSMWYFYSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000057617722 463504073 /nfs/dbraw/zinc/50/40/73/463504073.db2.gz TZODRODKDRVNTH-HNNXBMFYSA-N 2 2 334.464 2.333 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000057617722 463504079 /nfs/dbraw/zinc/50/40/79/463504079.db2.gz TZODRODKDRVNTH-HNNXBMFYSA-N 2 2 334.464 2.333 10 0 EEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171299861 463841036 /nfs/dbraw/zinc/84/10/36/463841036.db2.gz SQYQRBYXLFESCR-MSOLQXFVSA-N 2 2 345.512 2.083 10 0 EEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171299861 463841041 /nfs/dbraw/zinc/84/10/41/463841041.db2.gz SQYQRBYXLFESCR-MSOLQXFVSA-N 2 2 345.512 2.083 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000194941402 463963746 /nfs/dbraw/zinc/96/37/46/463963746.db2.gz JANJAOICKCYHGN-UHFFFAOYSA-N 2 2 333.480 2.305 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000195282990 464031052 /nfs/dbraw/zinc/03/10/52/464031052.db2.gz CZHGILNXXIRRDY-RBUKOAKNSA-N 2 2 333.476 2.379 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCO[C@@H]2CCCCO2)C1 ZINC000195282990 464031053 /nfs/dbraw/zinc/03/10/53/464031053.db2.gz CZHGILNXXIRRDY-RBUKOAKNSA-N 2 2 333.476 2.379 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000195282990 464031059 /nfs/dbraw/zinc/03/10/59/464031059.db2.gz CZHGILNXXIRRDY-RBUKOAKNSA-N 2 2 333.476 2.379 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCO[C@@H]2CCCCO2)C1 ZINC000195282990 464031064 /nfs/dbraw/zinc/03/10/64/464031064.db2.gz CZHGILNXXIRRDY-RBUKOAKNSA-N 2 2 333.476 2.379 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263849950 464215398 /nfs/dbraw/zinc/21/53/98/464215398.db2.gz RVADOQCVLAVBMJ-CYBMUJFWSA-N 2 2 330.436 2.140 10 0 EEAELP C[NH+]1CCC([C@@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)CC1 ZINC000272198466 464515972 /nfs/dbraw/zinc/51/59/72/464515972.db2.gz ADJKATKFKAKRKZ-MRXNPFEDSA-N 2 2 339.443 2.071 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478889 464590188 /nfs/dbraw/zinc/59/01/88/464590188.db2.gz HLTGTNOCTIEVFG-HOCLYGCPSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478889 464590192 /nfs/dbraw/zinc/59/01/92/464590192.db2.gz HLTGTNOCTIEVFG-HOCLYGCPSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478889 464590196 /nfs/dbraw/zinc/59/01/96/464590196.db2.gz HLTGTNOCTIEVFG-HOCLYGCPSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478889 464590200 /nfs/dbraw/zinc/59/02/00/464590200.db2.gz HLTGTNOCTIEVFG-HOCLYGCPSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719997 464609691 /nfs/dbraw/zinc/60/96/91/464609691.db2.gz KWFCBYPQNAOLQT-GDBMZVCRSA-N 2 2 347.459 2.058 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719997 464609695 /nfs/dbraw/zinc/60/96/95/464609695.db2.gz KWFCBYPQNAOLQT-GDBMZVCRSA-N 2 2 347.459 2.058 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719997 464609703 /nfs/dbraw/zinc/60/97/03/464609703.db2.gz KWFCBYPQNAOLQT-GDBMZVCRSA-N 2 2 347.459 2.058 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719997 464609706 /nfs/dbraw/zinc/60/97/06/464609706.db2.gz KWFCBYPQNAOLQT-GDBMZVCRSA-N 2 2 347.459 2.058 10 0 EEAELP Cn1ncc2c1nc[nH+]c2N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000281974793 464653475 /nfs/dbraw/zinc/65/34/75/464653475.db2.gz RQOQXPZETWJECX-CYBMUJFWSA-N 2 2 337.431 2.280 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)no1 ZINC000281994802 464662064 /nfs/dbraw/zinc/66/20/64/464662064.db2.gz IKHRWTWWZKOPJC-AWEZNQCLSA-N 2 2 343.431 2.334 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)no1 ZINC000281994802 464662068 /nfs/dbraw/zinc/66/20/68/464662068.db2.gz IKHRWTWWZKOPJC-AWEZNQCLSA-N 2 2 343.431 2.334 10 0 EEAELP CC[C@@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1(C(=O)OC)CCC1 ZINC000272594672 464672376 /nfs/dbraw/zinc/67/23/76/464672376.db2.gz WVQHKTRIJVHAIZ-OAHLLOKOSA-N 2 2 328.416 2.479 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000247580281 464696566 /nfs/dbraw/zinc/69/65/66/464696566.db2.gz LFIHMTUTEGDECX-STQMWFEESA-N 2 2 344.381 2.246 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1 ZINC000247580281 464696571 /nfs/dbraw/zinc/69/65/71/464696571.db2.gz LFIHMTUTEGDECX-STQMWFEESA-N 2 2 344.381 2.246 10 0 EEAELP c1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nnn1Cc1cccnc1 ZINC000183035558 464781204 /nfs/dbraw/zinc/78/12/04/464781204.db2.gz OAJAJJAAINHBQM-QGZVFWFLSA-N 2 2 349.442 2.050 10 0 EEAELP c1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nnn1Cc1cccnc1 ZINC000183035558 464781208 /nfs/dbraw/zinc/78/12/08/464781208.db2.gz OAJAJJAAINHBQM-QGZVFWFLSA-N 2 2 349.442 2.050 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(OC)c1 ZINC000266736531 464804747 /nfs/dbraw/zinc/80/47/47/464804747.db2.gz KUANQWYEIIACRU-UHFFFAOYSA-N 2 2 344.415 2.245 10 0 EEAELP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000282578371 464874489 /nfs/dbraw/zinc/87/44/89/464874489.db2.gz VSRDECVSAPBPDK-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000282578371 464874494 /nfs/dbraw/zinc/87/44/94/464874494.db2.gz VSRDECVSAPBPDK-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP C[C@H]([NH2+]Cc1cc(C(N)=O)co1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348186999 465479748 /nfs/dbraw/zinc/47/97/48/465479748.db2.gz NSTLMPWEHJCBAJ-HOCLYGCPSA-N 2 2 327.428 2.379 10 0 EEAELP C[C@H]([NH2+]Cc1cc(C(N)=O)co1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348186999 465479755 /nfs/dbraw/zinc/47/97/55/465479755.db2.gz NSTLMPWEHJCBAJ-HOCLYGCPSA-N 2 2 327.428 2.379 10 0 EEAELP Cc1ccn2cc(CNC(=O)NCC[N@H+]3CCCC[C@@H]3C)[nH+]c2c1 ZINC000298902803 465537517 /nfs/dbraw/zinc/53/75/17/465537517.db2.gz AYRMVDIDINDOBZ-HNNXBMFYSA-N 2 2 329.448 2.316 10 0 EEAELP Cc1ccn2cc(CNC(=O)NCC[N@@H+]3CCCC[C@@H]3C)[nH+]c2c1 ZINC000298902803 465537518 /nfs/dbraw/zinc/53/75/18/465537518.db2.gz AYRMVDIDINDOBZ-HNNXBMFYSA-N 2 2 329.448 2.316 10 0 EEAELP COCc1nc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cs1 ZINC000353223381 465728111 /nfs/dbraw/zinc/72/81/11/465728111.db2.gz ISHMZKWPJGIEKY-UHFFFAOYSA-N 2 2 329.429 2.468 10 0 EEAELP C[C@H](C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)CS(C)(=O)=O ZINC000361055937 465734179 /nfs/dbraw/zinc/73/41/79/465734179.db2.gz GCBBWGRAWXCXJB-OAHLLOKOSA-N 2 2 327.494 2.056 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000353276983 465765866 /nfs/dbraw/zinc/76/58/66/465765866.db2.gz NWYFDBJDECYCBB-GOSISDBHSA-N 2 2 327.476 2.483 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000353276983 465765875 /nfs/dbraw/zinc/76/58/75/465765875.db2.gz NWYFDBJDECYCBB-GOSISDBHSA-N 2 2 327.476 2.483 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cnc2n1 ZINC000371469875 465816958 /nfs/dbraw/zinc/81/69/58/465816958.db2.gz HCIOPLDBBDBTFH-RYQLBKOJSA-N 2 2 343.475 2.030 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cnc2n1 ZINC000371469875 465816967 /nfs/dbraw/zinc/81/69/67/465816967.db2.gz HCIOPLDBBDBTFH-RYQLBKOJSA-N 2 2 343.475 2.030 10 0 EEAELP Cc1ccncc1C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000361421692 465981082 /nfs/dbraw/zinc/98/10/82/465981082.db2.gz IDVQVMNRRZBZHS-LJQANCHMSA-N 2 2 340.471 2.241 10 0 EEAELP Cc1ccncc1C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000361421692 465981089 /nfs/dbraw/zinc/98/10/89/465981089.db2.gz IDVQVMNRRZBZHS-LJQANCHMSA-N 2 2 340.471 2.241 10 0 EEAELP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([NH+](C)C)CCC1 ZINC000340503870 466136966 /nfs/dbraw/zinc/13/69/66/466136966.db2.gz OLLVRCSNYZUFAX-LBPRGKRZSA-N 2 2 342.281 2.073 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000354263476 466427319 /nfs/dbraw/zinc/42/73/19/466427319.db2.gz YCXUFYYDJZXOEC-UHFFFAOYSA-N 2 2 332.835 2.101 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000354263476 466427323 /nfs/dbraw/zinc/42/73/23/466427323.db2.gz YCXUFYYDJZXOEC-UHFFFAOYSA-N 2 2 332.835 2.101 10 0 EEAELP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367745764 466531261 /nfs/dbraw/zinc/53/12/61/466531261.db2.gz IKROUEIHIRYSNH-INIZCTEOSA-N 2 2 347.507 2.421 10 0 EEAELP C[NH+](C)CCN(CC1CCCCC1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367745764 466531268 /nfs/dbraw/zinc/53/12/68/466531268.db2.gz IKROUEIHIRYSNH-INIZCTEOSA-N 2 2 347.507 2.421 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000373060947 466679048 /nfs/dbraw/zinc/67/90/48/466679048.db2.gz WROZVASSTAINHY-KRWDZBQOSA-N 2 2 347.507 2.431 10 0 EEAELP FC(F)(F)c1ccccc1OCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422954859 466688197 /nfs/dbraw/zinc/68/81/97/466688197.db2.gz IGLBLKPQHSJBJS-HZPDHXFCSA-N 2 2 344.377 2.441 10 0 EEAELP c1cn(-c2ccc(N3C[C@H]4C[NH+](Cc5ccccc5)C[C@@H]4C3)nn2)c[nH+]1 ZINC000409430473 466688422 /nfs/dbraw/zinc/68/84/22/466688422.db2.gz VUSBTYLBUSXIFD-QZTJIDSGSA-N 2 2 346.438 2.231 10 0 EEAELP Fc1ccccc1N1CCC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000423012575 466689205 /nfs/dbraw/zinc/68/92/05/466689205.db2.gz LAGBLHPZULCGRC-IPELMVKDSA-N 2 2 333.451 2.151 10 0 EEAELP CCOC(=O)[C@@H]1CC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@H]1C ZINC000423238034 466701877 /nfs/dbraw/zinc/70/18/77/466701877.db2.gz UXYKYXGESQWBPB-BFYDXBDKSA-N 2 2 346.475 2.271 10 0 EEAELP c1cc(N[C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[nH+]cc1N1CC[NH2+]CC1 ZINC000423243483 466702720 /nfs/dbraw/zinc/70/27/20/466702720.db2.gz ZXXYAIKHYJLHTI-YESZJQIVSA-N 2 2 330.476 2.498 10 0 EEAELP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423250379 466703567 /nfs/dbraw/zinc/70/35/67/466703567.db2.gz UXFMYACHXLFUPT-KSSFIOAISA-N 2 2 347.484 2.288 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CCC(C)(C)CC3)C2)CC1 ZINC000369853144 466757773 /nfs/dbraw/zinc/75/77/73/466757773.db2.gz UYLAVFQMHABLKX-MRXNPFEDSA-N 2 2 336.524 2.423 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3CCC(C)(C)CC3)C2)CC1 ZINC000369853144 466757783 /nfs/dbraw/zinc/75/77/83/466757783.db2.gz UYLAVFQMHABLKX-MRXNPFEDSA-N 2 2 336.524 2.423 10 0 EEAELP C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H]1C[NH2+]CCO1 ZINC000662253150 472043619 /nfs/dbraw/zinc/04/36/19/472043619.db2.gz RLEUJOSWGWICOJ-QGZVFWFLSA-N 2 2 332.423 2.069 10 0 EEAELP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H]1C[NH2+]CCO1 ZINC000662253150 472043626 /nfs/dbraw/zinc/04/36/26/472043626.db2.gz RLEUJOSWGWICOJ-QGZVFWFLSA-N 2 2 332.423 2.069 10 0 EEAELP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)C1 ZINC000365751679 466928941 /nfs/dbraw/zinc/92/89/41/466928941.db2.gz DJZZRHHWAZSMBE-LJQANCHMSA-N 2 2 339.487 2.084 10 0 EEAELP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccnn3-c3ccccc3)CC2)C1 ZINC000365751679 466928947 /nfs/dbraw/zinc/92/89/47/466928947.db2.gz DJZZRHHWAZSMBE-LJQANCHMSA-N 2 2 339.487 2.084 10 0 EEAELP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000370680892 466963154 /nfs/dbraw/zinc/96/31/54/466963154.db2.gz MALSCKTXTXSAQU-HNNXBMFYSA-N 2 2 333.480 2.222 10 0 EEAELP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000370680892 466963158 /nfs/dbraw/zinc/96/31/58/466963158.db2.gz MALSCKTXTXSAQU-HNNXBMFYSA-N 2 2 333.480 2.222 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@]2(F)c2ccccc2)CC1 ZINC000412156329 467027527 /nfs/dbraw/zinc/02/75/27/467027527.db2.gz FLJHRVMXONJZKH-PKOBYXMFSA-N 2 2 333.451 2.014 10 0 EEAELP CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366085424 467054217 /nfs/dbraw/zinc/05/42/17/467054217.db2.gz HXTHGQUVWAEVKS-AWEZNQCLSA-N 2 2 333.480 2.030 10 0 EEAELP CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366085424 467054224 /nfs/dbraw/zinc/05/42/24/467054224.db2.gz HXTHGQUVWAEVKS-AWEZNQCLSA-N 2 2 333.480 2.030 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378340241 467270191 /nfs/dbraw/zinc/27/01/91/467270191.db2.gz GXFPTNYLQBZBAT-UHFFFAOYSA-N 2 2 342.443 2.256 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000429819714 467373542 /nfs/dbraw/zinc/37/35/42/467373542.db2.gz VHROZOCNTJNFAP-KKUMJFAQSA-N 2 2 349.441 2.449 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000429819714 467373545 /nfs/dbraw/zinc/37/35/45/467373545.db2.gz VHROZOCNTJNFAP-KKUMJFAQSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000429819714 467373549 /nfs/dbraw/zinc/37/35/49/467373549.db2.gz VHROZOCNTJNFAP-KKUMJFAQSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000429819714 467373552 /nfs/dbraw/zinc/37/35/52/467373552.db2.gz VHROZOCNTJNFAP-KKUMJFAQSA-N 2 2 349.441 2.449 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364797 467379370 /nfs/dbraw/zinc/37/93/70/467379370.db2.gz IRXYLNNFKHJVDT-TWOQFEAHSA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364797 467379372 /nfs/dbraw/zinc/37/93/72/467379372.db2.gz IRXYLNNFKHJVDT-TWOQFEAHSA-N 2 2 345.487 2.336 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCc1ccc(Cl)cc1 ZINC000390943455 467417772 /nfs/dbraw/zinc/41/77/72/467417772.db2.gz LEKVJLIFIPXJLK-WBVHZDCISA-N 2 2 335.879 2.420 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCc1ccc(Cl)cc1 ZINC000390943455 467417774 /nfs/dbraw/zinc/41/77/74/467417774.db2.gz LEKVJLIFIPXJLK-WBVHZDCISA-N 2 2 335.879 2.420 10 0 EEAELP COC1([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)CCOCC1 ZINC000453169107 467466265 /nfs/dbraw/zinc/46/62/65/467466265.db2.gz FVRKGQFSIIZLAG-NVXWUHKLSA-N 2 2 348.491 2.218 10 0 EEAELP COc1nccnc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000449144801 467620691 /nfs/dbraw/zinc/62/06/91/467620691.db2.gz ULMCQKZCBVNMME-UHFFFAOYSA-N 2 2 342.443 2.250 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CCC[N@H+](CCCO)C1 ZINC000449395098 467636735 /nfs/dbraw/zinc/63/67/35/467636735.db2.gz HNQPWSBZEMCWSP-QGZVFWFLSA-N 2 2 328.460 2.024 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CCC[N@@H+](CCCO)C1 ZINC000449395098 467636737 /nfs/dbraw/zinc/63/67/37/467636737.db2.gz HNQPWSBZEMCWSP-QGZVFWFLSA-N 2 2 328.460 2.024 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000449396536 467638298 /nfs/dbraw/zinc/63/82/98/467638298.db2.gz SEMTYRKQCLFGJC-ICSRJNTNSA-N 2 2 348.487 2.181 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000449396536 467638299 /nfs/dbraw/zinc/63/82/99/467638299.db2.gz SEMTYRKQCLFGJC-ICSRJNTNSA-N 2 2 348.487 2.181 10 0 EEAELP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458596 467853513 /nfs/dbraw/zinc/85/35/13/467853513.db2.gz YKQTZSXLQJUMAW-UXHICEINSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458596 467853514 /nfs/dbraw/zinc/85/35/14/467853514.db2.gz YKQTZSXLQJUMAW-UXHICEINSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450458596 467853516 /nfs/dbraw/zinc/85/35/16/467853516.db2.gz YKQTZSXLQJUMAW-UXHICEINSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450458596 467853518 /nfs/dbraw/zinc/85/35/18/467853518.db2.gz YKQTZSXLQJUMAW-UXHICEINSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450498093 467859857 /nfs/dbraw/zinc/85/98/57/467859857.db2.gz FGDHEDOQFCLEFG-VAMGGRTRSA-N 2 2 330.472 2.313 10 0 EEAELP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450498093 467859859 /nfs/dbraw/zinc/85/98/59/467859859.db2.gz FGDHEDOQFCLEFG-VAMGGRTRSA-N 2 2 330.472 2.313 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450498093 467859861 /nfs/dbraw/zinc/85/98/61/467859861.db2.gz FGDHEDOQFCLEFG-VAMGGRTRSA-N 2 2 330.472 2.313 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450498093 467859865 /nfs/dbraw/zinc/85/98/65/467859865.db2.gz FGDHEDOQFCLEFG-VAMGGRTRSA-N 2 2 330.472 2.313 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[NH+]2CCC2)CC1 ZINC000514797827 467955121 /nfs/dbraw/zinc/95/51/21/467955121.db2.gz DWSBVXVOXMNCNJ-UHFFFAOYSA-N 3 2 330.520 2.404 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000531378622 468048231 /nfs/dbraw/zinc/04/82/31/468048231.db2.gz UZOCSTDCSUAFTR-RPPNDORWSA-N 2 2 333.520 2.342 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000531378622 468048233 /nfs/dbraw/zinc/04/82/33/468048233.db2.gz UZOCSTDCSUAFTR-RPPNDORWSA-N 2 2 333.520 2.342 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[NH+]1C ZINC000531378622 468048236 /nfs/dbraw/zinc/04/82/36/468048236.db2.gz UZOCSTDCSUAFTR-RPPNDORWSA-N 2 2 333.520 2.342 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[NH+]1C ZINC000531378622 468048238 /nfs/dbraw/zinc/04/82/38/468048238.db2.gz UZOCSTDCSUAFTR-RPPNDORWSA-N 2 2 333.520 2.342 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909195 468054215 /nfs/dbraw/zinc/05/42/15/468054215.db2.gz HIZOVMUXGOGCLL-GOEBONIOSA-N 2 2 345.487 2.414 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909195 468054216 /nfs/dbraw/zinc/05/42/16/468054216.db2.gz HIZOVMUXGOGCLL-GOEBONIOSA-N 2 2 345.487 2.414 10 0 EEAELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N1CCOc2ccccc21 ZINC000519555145 468171963 /nfs/dbraw/zinc/17/19/63/468171963.db2.gz JJLIINLIOYSTMK-UHFFFAOYSA-N 2 2 340.427 2.405 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cncc(Br)c1 ZINC000569824478 468550352 /nfs/dbraw/zinc/55/03/52/468550352.db2.gz BIISHFFCRPDOPW-DOMZBBRYSA-N 2 2 342.281 2.342 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cncc(Br)c1 ZINC000569824478 468550355 /nfs/dbraw/zinc/55/03/55/468550355.db2.gz BIISHFFCRPDOPW-DOMZBBRYSA-N 2 2 342.281 2.342 10 0 EEAELP O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000569898942 468559007 /nfs/dbraw/zinc/55/90/07/468559007.db2.gz GCLNXWAVGSMINB-YSVLISHTSA-N 2 2 333.457 2.296 10 0 EEAELP O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000569898942 468559010 /nfs/dbraw/zinc/55/90/10/468559010.db2.gz GCLNXWAVGSMINB-YSVLISHTSA-N 2 2 333.457 2.296 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558651073 468698604 /nfs/dbraw/zinc/69/86/04/468698604.db2.gz MVTOXADHEULLBB-JKSUJKDBSA-N 2 2 345.491 2.203 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000571731219 468828783 /nfs/dbraw/zinc/82/87/83/468828783.db2.gz UFVVZRVJENMDGM-APWZRJJASA-N 2 2 331.460 2.190 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000571731219 468828789 /nfs/dbraw/zinc/82/87/89/468828789.db2.gz UFVVZRVJENMDGM-APWZRJJASA-N 2 2 331.460 2.190 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC000601333127 468829869 /nfs/dbraw/zinc/82/98/69/468829869.db2.gz ARWMSVPXKWQCDY-DOTOQJQBSA-N 2 2 344.459 2.025 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1C ZINC000601333127 468829872 /nfs/dbraw/zinc/82/98/72/468829872.db2.gz ARWMSVPXKWQCDY-DOTOQJQBSA-N 2 2 344.459 2.025 10 0 EEAELP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000562603619 469003128 /nfs/dbraw/zinc/00/31/28/469003128.db2.gz XBAPDULZCMHPCM-DDBAPUKQSA-N 2 2 336.501 2.205 10 0 EEAELP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000562603619 469003135 /nfs/dbraw/zinc/00/31/35/469003135.db2.gz XBAPDULZCMHPCM-DDBAPUKQSA-N 2 2 336.501 2.205 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[NH2+]1 ZINC000625859206 469413616 /nfs/dbraw/zinc/41/36/16/469413616.db2.gz HOMRKAKYCZWHAW-CABCVRRESA-N 2 2 343.431 2.224 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2nccc3ccsc32)CC1 ZINC000625993160 469461432 /nfs/dbraw/zinc/46/14/32/469461432.db2.gz KJZUGWFZPIZTGE-UHFFFAOYSA-N 2 2 332.473 2.052 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000626088587 469499722 /nfs/dbraw/zinc/49/97/22/469499722.db2.gz FPQQRXIGIRTDJH-QGZVFWFLSA-N 2 2 326.481 2.106 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629384978 469527862 /nfs/dbraw/zinc/52/78/62/469527862.db2.gz KCXRMUNJPUHYGA-UHFFFAOYSA-N 2 2 337.427 2.099 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000629534049 469573759 /nfs/dbraw/zinc/57/37/59/469573759.db2.gz JYUFCFOSBKZNED-ZIAGYGMSSA-N 2 2 335.414 2.251 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000629534049 469573764 /nfs/dbraw/zinc/57/37/64/469573764.db2.gz JYUFCFOSBKZNED-ZIAGYGMSSA-N 2 2 335.414 2.251 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000617762443 469794980 /nfs/dbraw/zinc/79/49/80/469794980.db2.gz PCRPKLPEWIWIMR-DLBZAZTESA-N 2 2 337.895 2.443 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000617762443 469794982 /nfs/dbraw/zinc/79/49/82/469794982.db2.gz PCRPKLPEWIWIMR-DLBZAZTESA-N 2 2 337.895 2.443 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000617767009 469797064 /nfs/dbraw/zinc/79/70/64/469797064.db2.gz CMIFDAVGUUOZJP-KBPBESRZSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000617767009 469797067 /nfs/dbraw/zinc/79/70/67/469797067.db2.gz CMIFDAVGUUOZJP-KBPBESRZSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000617766311 469797645 /nfs/dbraw/zinc/79/76/45/469797645.db2.gz GDQXRTOTLGDNIW-KGLIPLIRSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000617766311 469797647 /nfs/dbraw/zinc/79/76/47/469797647.db2.gz GDQXRTOTLGDNIW-KGLIPLIRSA-N 2 2 339.430 2.068 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000627162528 469829894 /nfs/dbraw/zinc/82/98/94/469829894.db2.gz PKCPHHWYYTVNPC-DLBZAZTESA-N 2 2 345.491 2.249 10 0 EEAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000627224406 469849748 /nfs/dbraw/zinc/84/97/48/469849748.db2.gz LQHZXLCLBBULLJ-ZBFHGGJFSA-N 2 2 336.867 2.002 10 0 EEAELP C[N@H+]1CCN(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000627224406 469849754 /nfs/dbraw/zinc/84/97/54/469849754.db2.gz LQHZXLCLBBULLJ-ZBFHGGJFSA-N 2 2 336.867 2.002 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000628062767 470049662 /nfs/dbraw/zinc/04/96/62/470049662.db2.gz PDJPXXSPBMVHFE-MSOLQXFVSA-N 2 2 335.467 2.319 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1 ZINC000628062767 470049665 /nfs/dbraw/zinc/04/96/65/470049665.db2.gz PDJPXXSPBMVHFE-MSOLQXFVSA-N 2 2 335.467 2.319 10 0 EEAELP COc1ncncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195702 470090394 /nfs/dbraw/zinc/09/03/94/470090394.db2.gz ZWLJSYKCFWLOBB-QAPCUYQASA-N 2 2 326.444 2.343 10 0 EEAELP COc1ncncc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195702 470090396 /nfs/dbraw/zinc/09/03/96/470090396.db2.gz ZWLJSYKCFWLOBB-QAPCUYQASA-N 2 2 326.444 2.343 10 0 EEAELP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CN(c2ccncn2)C1 ZINC000631258846 470104697 /nfs/dbraw/zinc/10/46/97/470104697.db2.gz ZNXNCZJDERZHFU-UHFFFAOYSA-N 2 2 339.487 2.413 10 0 EEAELP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CN(c2ccncn2)C1 ZINC000631258846 470104699 /nfs/dbraw/zinc/10/46/99/470104699.db2.gz ZNXNCZJDERZHFU-UHFFFAOYSA-N 2 2 339.487 2.413 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCc1ccc(Cl)cc1 ZINC000631886903 470189480 /nfs/dbraw/zinc/18/94/80/470189480.db2.gz MXLZZUIQDIHZSK-WBVHZDCISA-N 2 2 335.879 2.073 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCc1ccc(Cl)cc1 ZINC000631886903 470189481 /nfs/dbraw/zinc/18/94/81/470189481.db2.gz MXLZZUIQDIHZSK-WBVHZDCISA-N 2 2 335.879 2.073 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCCSc1ccccc1 ZINC000631886202 470189527 /nfs/dbraw/zinc/18/95/27/470189527.db2.gz HRIKIOIOMBVRMW-WMZOPIPTSA-N 2 2 347.528 2.359 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCCSc1ccccc1 ZINC000631886202 470189528 /nfs/dbraw/zinc/18/95/28/470189528.db2.gz HRIKIOIOMBVRMW-WMZOPIPTSA-N 2 2 347.528 2.359 10 0 EEAELP CCC1([NH+](C)C)CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000632883994 470282379 /nfs/dbraw/zinc/28/23/79/470282379.db2.gz KZOREDMTCMIVOH-UHFFFAOYSA-N 2 2 333.480 2.163 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000635254137 470500528 /nfs/dbraw/zinc/50/05/28/470500528.db2.gz CPWCZSJELGJIJE-RCCFBDPRSA-N 2 2 338.455 2.466 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000635254137 470500535 /nfs/dbraw/zinc/50/05/35/470500535.db2.gz CPWCZSJELGJIJE-RCCFBDPRSA-N 2 2 338.455 2.466 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000635254137 470500539 /nfs/dbraw/zinc/50/05/39/470500539.db2.gz CPWCZSJELGJIJE-RCCFBDPRSA-N 2 2 338.455 2.466 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000635254137 470500543 /nfs/dbraw/zinc/50/05/43/470500543.db2.gz CPWCZSJELGJIJE-RCCFBDPRSA-N 2 2 338.455 2.466 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CC1 ZINC000646117429 470533081 /nfs/dbraw/zinc/53/30/81/470533081.db2.gz ZTADZZVALWKKQZ-LJQANCHMSA-N 2 2 325.456 2.154 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2CC3(CC=CC3)[C@H]2c2ccccc2)CC1 ZINC000646117429 470533086 /nfs/dbraw/zinc/53/30/86/470533086.db2.gz ZTADZZVALWKKQZ-LJQANCHMSA-N 2 2 325.456 2.154 10 0 EEAELP CC[NH+](CC)CCNC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650549168 470907284 /nfs/dbraw/zinc/90/72/84/470907284.db2.gz NOPVAWVHAIWCAG-KRWDZBQOSA-N 2 2 343.475 2.345 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2c[nH]nc2-c2cccc(OC)c2)CC1 ZINC000650705767 470945802 /nfs/dbraw/zinc/94/58/02/470945802.db2.gz VANSKKMAQAOCNN-UHFFFAOYSA-N 2 2 344.459 2.286 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901735 471012279 /nfs/dbraw/zinc/01/22/79/471012279.db2.gz UMOPWXXWFOIKCL-XYJFISCASA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901735 471012282 /nfs/dbraw/zinc/01/22/82/471012282.db2.gz UMOPWXXWFOIKCL-XYJFISCASA-N 2 2 345.487 2.336 10 0 EEAELP O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCN1c1ccccc1F ZINC000647904148 471012942 /nfs/dbraw/zinc/01/29/42/471012942.db2.gz XNFFMBHNFRSZIC-YXJHDRRASA-N 2 2 331.435 2.395 10 0 EEAELP O=C1[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CCN1c1ccccc1F ZINC000647904148 471012945 /nfs/dbraw/zinc/01/29/45/471012945.db2.gz XNFFMBHNFRSZIC-YXJHDRRASA-N 2 2 331.435 2.395 10 0 EEAELP Cn1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nnc1-c1ccccc1 ZINC000647903834 471013336 /nfs/dbraw/zinc/01/33/36/471013336.db2.gz QRJZWBBYYDEOFW-SJORKVTESA-N 2 2 325.460 2.446 10 0 EEAELP Cn1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)nnc1-c1ccccc1 ZINC000647903834 471013339 /nfs/dbraw/zinc/01/33/39/471013339.db2.gz QRJZWBBYYDEOFW-SJORKVTESA-N 2 2 325.460 2.446 10 0 EEAELP CCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647904045 471013557 /nfs/dbraw/zinc/01/35/57/471013557.db2.gz VJLKLZILKCAZIG-PBHICJAKSA-N 2 2 335.517 2.391 10 0 EEAELP CCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)s1 ZINC000647904045 471013560 /nfs/dbraw/zinc/01/35/60/471013560.db2.gz VJLKLZILKCAZIG-PBHICJAKSA-N 2 2 335.517 2.391 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccs1 ZINC000651007734 471024083 /nfs/dbraw/zinc/02/40/83/471024083.db2.gz GPQMPMZLFGWCMB-AWEZNQCLSA-N 2 2 332.473 2.243 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000648161672 471105206 /nfs/dbraw/zinc/10/52/06/471105206.db2.gz USKLWDFMOYNXQG-ZBFHGGJFSA-N 2 2 325.403 2.344 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000648161672 471105212 /nfs/dbraw/zinc/10/52/12/471105212.db2.gz USKLWDFMOYNXQG-ZBFHGGJFSA-N 2 2 325.403 2.344 10 0 EEAELP c1nn2c(c1C[NH2+]CC1(C[NH+]3CCOCC3)CCCCC1)CCC2 ZINC000657391422 471123218 /nfs/dbraw/zinc/12/32/18/471123218.db2.gz UISUBLAEKUBNIV-UHFFFAOYSA-N 2 2 332.492 2.202 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000651328954 471131651 /nfs/dbraw/zinc/13/16/51/471131651.db2.gz LZWSQWCBFLETGU-KRWDZBQOSA-N 2 2 343.475 2.297 10 0 EEAELP CCCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645173676 471163831 /nfs/dbraw/zinc/16/38/31/471163831.db2.gz HPBXVGKIGHHNGQ-KRWDZBQOSA-N 2 2 345.491 2.176 10 0 EEAELP CCCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645173676 471163840 /nfs/dbraw/zinc/16/38/40/471163840.db2.gz HPBXVGKIGHHNGQ-KRWDZBQOSA-N 2 2 345.491 2.176 10 0 EEAELP c1cn2c(cccc2C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)[nH+]1 ZINC000657536252 471163980 /nfs/dbraw/zinc/16/39/80/471163980.db2.gz ZDUBRQLAPMMGLP-UHFFFAOYSA-N 3 2 328.460 2.315 10 0 EEAELP Nc1nc(N2CC[NH+](Cc3cccc(F)c3)CC2)c2c([nH+]1)CCCC2 ZINC000645193462 471171210 /nfs/dbraw/zinc/17/12/10/471171210.db2.gz OCTGPUIJFNQDTN-UHFFFAOYSA-N 2 2 341.434 2.399 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658340884 471290357 /nfs/dbraw/zinc/29/03/57/471290357.db2.gz FGMARPFMYBROCJ-WOJBJXKFSA-N 2 2 341.503 2.277 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658340884 471290360 /nfs/dbraw/zinc/29/03/60/471290360.db2.gz FGMARPFMYBROCJ-WOJBJXKFSA-N 2 2 341.503 2.277 10 0 EEAELP C[C@@H](c1cccc(NC(=O)NCCC2(C[NH3+])CC2)c1)[NH+]1CCOCC1 ZINC000652576281 471309576 /nfs/dbraw/zinc/30/95/76/471309576.db2.gz GCMYFDMPWAVDNP-HNNXBMFYSA-N 2 2 346.475 2.330 10 0 EEAELP C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000660419683 471332673 /nfs/dbraw/zinc/33/26/73/471332673.db2.gz CVLLPUAOTBFLHK-NVXWUHKLSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000660419683 471332681 /nfs/dbraw/zinc/33/26/81/471332681.db2.gz CVLLPUAOTBFLHK-NVXWUHKLSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655468643 471339348 /nfs/dbraw/zinc/33/93/48/471339348.db2.gz ZQCHLUZELLEQGR-XFQXTVEOSA-N 2 2 345.462 2.421 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000660588852 471405650 /nfs/dbraw/zinc/40/56/50/471405650.db2.gz CNFLWQDUWHDCPW-NSHDSACASA-N 2 2 347.385 2.117 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000660588852 471405657 /nfs/dbraw/zinc/40/56/57/471405657.db2.gz CNFLWQDUWHDCPW-NSHDSACASA-N 2 2 347.385 2.117 10 0 EEAELP [NH3+]CCC[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000653162404 471514671 /nfs/dbraw/zinc/51/46/71/471514671.db2.gz FYEBGYTYTJZERT-QGZVFWFLSA-N 2 2 326.444 2.358 10 0 EEAELP C[C@@H](CNc1cc[nH+]cc1Br)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211122 471634629 /nfs/dbraw/zinc/63/46/29/471634629.db2.gz PBWUFXUISCRWCH-SDDRHHMPSA-N 2 2 328.254 2.176 10 0 EEAELP C[C@@H](CNc1cc[nH+]cc1Br)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211122 471634635 /nfs/dbraw/zinc/63/46/35/471634635.db2.gz PBWUFXUISCRWCH-SDDRHHMPSA-N 2 2 328.254 2.176 10 0 EEAELP O=C(C[N@H+]1CC[C@](F)(c2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000669942720 471644330 /nfs/dbraw/zinc/64/43/30/471644330.db2.gz LGDWMIJGNOEMAD-HXUWFJFHSA-N 2 2 345.462 2.300 10 0 EEAELP O=C(C[N@@H+]1CC[C@](F)(c2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000669942720 471644336 /nfs/dbraw/zinc/64/43/36/471644336.db2.gz LGDWMIJGNOEMAD-HXUWFJFHSA-N 2 2 345.462 2.300 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000659471470 471645076 /nfs/dbraw/zinc/64/50/76/471645076.db2.gz DWSNXYCFQZAVGP-DOTOQJQBSA-N 2 2 329.448 2.148 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000667084303 471648387 /nfs/dbraw/zinc/64/83/87/471648387.db2.gz JXDPCAOXMLHNSV-GDBMZVCRSA-N 2 2 343.431 2.082 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1[nH+]ccn1C ZINC000661192560 471663556 /nfs/dbraw/zinc/66/35/56/471663556.db2.gz FGZJKMFQOWTXPX-ZMSDIMECSA-N 2 2 341.459 2.443 10 0 EEAELP C[C@H](NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667247035 471708018 /nfs/dbraw/zinc/70/80/18/471708018.db2.gz XNJNUKUPGBZJFW-HNAYVOBHSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@H](NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667247035 471708021 /nfs/dbraw/zinc/70/80/21/471708021.db2.gz XNJNUKUPGBZJFW-HNAYVOBHSA-N 2 2 341.459 2.445 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661510122 471784142 /nfs/dbraw/zinc/78/41/42/471784142.db2.gz STRDKXJJHHPVQB-INIZCTEOSA-N 2 2 345.491 2.094 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000661510122 471784148 /nfs/dbraw/zinc/78/41/48/471784148.db2.gz STRDKXJJHHPVQB-INIZCTEOSA-N 2 2 345.491 2.094 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000656701972 471812243 /nfs/dbraw/zinc/81/22/43/471812243.db2.gz HIGULGOCBFEMLJ-CABCVRRESA-N 2 2 331.460 2.370 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000656701972 471812248 /nfs/dbraw/zinc/81/22/48/471812248.db2.gz HIGULGOCBFEMLJ-CABCVRRESA-N 2 2 331.460 2.370 10 0 EEAELP COc1cc(C)c(C)cc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000667535990 471814077 /nfs/dbraw/zinc/81/40/77/471814077.db2.gz LITBAQIMPOOBMG-UHFFFAOYSA-N 2 2 336.480 2.317 10 0 EEAELP COc1cc(C)c(C)cc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000667535990 471814081 /nfs/dbraw/zinc/81/40/81/471814081.db2.gz LITBAQIMPOOBMG-UHFFFAOYSA-N 2 2 336.480 2.317 10 0 EEAELP C[NH+](C)CCC[C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CCO1 ZINC000664654889 471824477 /nfs/dbraw/zinc/82/44/77/471824477.db2.gz WVCYFODLPIZODQ-INIZCTEOSA-N 2 2 333.480 2.014 10 0 EEAELP C[NH+](C)CCC[C@H]1CN(c2cc(N3CCCCC3)nc[nH+]2)CCO1 ZINC000664654889 471824482 /nfs/dbraw/zinc/82/44/82/471824482.db2.gz WVCYFODLPIZODQ-INIZCTEOSA-N 2 2 333.480 2.014 10 0 EEAELP c1cc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000667813972 471917990 /nfs/dbraw/zinc/91/79/90/471917990.db2.gz FDARJGBWCQDIJJ-UYAOXDASSA-N 2 2 346.471 2.055 10 0 EEAELP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668015937 471979651 /nfs/dbraw/zinc/97/96/51/471979651.db2.gz OUJRSNDWRCROET-CYBMUJFWSA-N 2 2 342.447 2.007 10 0 EEAELP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668015937 471979656 /nfs/dbraw/zinc/97/96/56/471979656.db2.gz OUJRSNDWRCROET-CYBMUJFWSA-N 2 2 342.447 2.007 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)c1cccc(-n2cnnn2)c1 ZINC000665250122 471980295 /nfs/dbraw/zinc/98/02/95/471980295.db2.gz IQVWYXNVBIVOHE-CWFSZBLJSA-N 2 2 348.454 2.459 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)c2ccnn2C)cc1F ZINC000665259810 471983278 /nfs/dbraw/zinc/98/32/78/471983278.db2.gz QURGBEOTMJPZIS-NOLJZWGESA-N 2 2 332.423 2.364 10 0 EEAELP Cc1cc2c(cc1C)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)CCCO2 ZINC000665291660 471992394 /nfs/dbraw/zinc/99/23/94/471992394.db2.gz HJOMOMLUBSCSFB-OAHLLOKOSA-N 2 2 328.416 2.261 10 0 EEAELP Brc1cc2c(s1)CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662311292 472066022 /nfs/dbraw/zinc/06/60/22/472066022.db2.gz RNYZNOFOTFXRAF-NSHDSACASA-N 2 2 343.290 2.390 10 0 EEAELP Brc1cc2c(s1)CC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662311292 472066026 /nfs/dbraw/zinc/06/60/26/472066026.db2.gz RNYZNOFOTFXRAF-NSHDSACASA-N 2 2 343.290 2.390 10 0 EEAELP CCN(C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662318534 472067275 /nfs/dbraw/zinc/06/72/75/472067275.db2.gz BBVCNGATSGXXHF-IEBWSBKVSA-N 2 2 347.503 2.471 10 0 EEAELP CCN(C(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662318534 472067280 /nfs/dbraw/zinc/06/72/80/472067280.db2.gz BBVCNGATSGXXHF-IEBWSBKVSA-N 2 2 347.503 2.471 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000665535169 472080766 /nfs/dbraw/zinc/08/07/66/472080766.db2.gz MPCPRMUNWSQZNJ-GUYCJALGSA-N 2 2 330.407 2.073 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000665535169 472080771 /nfs/dbraw/zinc/08/07/71/472080771.db2.gz MPCPRMUNWSQZNJ-GUYCJALGSA-N 2 2 330.407 2.073 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784366 472266714 /nfs/dbraw/zinc/26/67/14/472266714.db2.gz CEYZRWOLABJSPC-LJQANCHMSA-N 3 2 343.475 2.118 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784366 472266721 /nfs/dbraw/zinc/26/67/21/472266721.db2.gz CEYZRWOLABJSPC-LJQANCHMSA-N 3 2 343.475 2.118 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc2ccsc2s1 ZINC000666110156 472305295 /nfs/dbraw/zinc/30/52/95/472305295.db2.gz AJJLAGJSXMSGEH-UHFFFAOYSA-N 2 2 341.506 2.363 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc2ccsc2s1 ZINC000666110156 472305298 /nfs/dbraw/zinc/30/52/98/472305298.db2.gz AJJLAGJSXMSGEH-UHFFFAOYSA-N 2 2 341.506 2.363 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532482323 485545290 /nfs/dbraw/zinc/54/52/90/485545290.db2.gz GKKNPDCDVABOLS-WMLDXEAASA-N 2 2 331.460 2.333 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532482323 485545295 /nfs/dbraw/zinc/54/52/95/485545295.db2.gz GKKNPDCDVABOLS-WMLDXEAASA-N 2 2 331.460 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@]1(CO)CCC[NH+](Cc2ccccc2)C1 ZINC000679044724 485572112 /nfs/dbraw/zinc/57/21/12/485572112.db2.gz QFCDLMJEGBONSN-DUXKGJEZSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@]1(CO)CCC[NH+](Cc2ccccc2)C1 ZINC000679044724 485572119 /nfs/dbraw/zinc/57/21/19/485572119.db2.gz QFCDLMJEGBONSN-DUXKGJEZSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044724 485572124 /nfs/dbraw/zinc/57/21/24/485572124.db2.gz QFCDLMJEGBONSN-DUXKGJEZSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[NH+](C2CC2)C[C@H]1N[C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044724 485572130 /nfs/dbraw/zinc/57/21/30/485572130.db2.gz QFCDLMJEGBONSN-DUXKGJEZSA-N 2 2 343.515 2.086 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000683980158 485709939 /nfs/dbraw/zinc/70/99/39/485709939.db2.gz UEDAEEFPGPVULX-MRXNPFEDSA-N 2 2 345.491 2.203 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000683980158 485709943 /nfs/dbraw/zinc/70/99/43/485709943.db2.gz UEDAEEFPGPVULX-MRXNPFEDSA-N 2 2 345.491 2.203 10 0 EEAELP CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631147722 485776006 /nfs/dbraw/zinc/77/60/06/485776006.db2.gz QASHFOMQRHEMPM-SFHVURJKSA-N 2 2 334.460 2.055 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000679821368 485817124 /nfs/dbraw/zinc/81/71/24/485817124.db2.gz JMACKNLAQZIPQS-UZLBHIALSA-N 2 2 341.499 2.206 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000679821368 485817129 /nfs/dbraw/zinc/81/71/29/485817129.db2.gz JMACKNLAQZIPQS-UZLBHIALSA-N 2 2 341.499 2.206 10 0 EEAELP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000679829824 485818809 /nfs/dbraw/zinc/81/88/09/485818809.db2.gz OPVGAQWDKRZCHI-QGZVFWFLSA-N 2 2 348.472 2.180 10 0 EEAELP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000679829824 485818818 /nfs/dbraw/zinc/81/88/18/485818818.db2.gz OPVGAQWDKRZCHI-QGZVFWFLSA-N 2 2 348.472 2.180 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634699733 485820709 /nfs/dbraw/zinc/82/07/09/485820709.db2.gz OCPLNJNKRAEFHJ-UFYCRDLUSA-N 2 2 332.488 2.153 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634699733 485820717 /nfs/dbraw/zinc/82/07/17/485820717.db2.gz OCPLNJNKRAEFHJ-UFYCRDLUSA-N 2 2 332.488 2.153 10 0 EEAELP C[N@H+](CC(=O)OC[C@@H]1CCC[NH+]1Cc1ccco1)[C@H]1CCSC1 ZINC000774236215 577390974 /nfs/dbraw/zinc/39/09/74/577390974.db2.gz DFNYUERXQBGZSG-GJZGRUSLSA-N 2 2 338.473 2.225 10 0 EEAELP C[N@@H+](CC(=O)OC[C@@H]1CCC[NH+]1Cc1ccco1)[C@H]1CCSC1 ZINC000774236215 577390976 /nfs/dbraw/zinc/39/09/76/577390976.db2.gz DFNYUERXQBGZSG-GJZGRUSLSA-N 2 2 338.473 2.225 10 0 EEAELP C[NH+](CC(=O)OC[C@@H]1CCC[N@@H+]1Cc1ccco1)[C@H]1CCSC1 ZINC000774236215 577390978 /nfs/dbraw/zinc/39/09/78/577390978.db2.gz DFNYUERXQBGZSG-GJZGRUSLSA-N 2 2 338.473 2.225 10 0 EEAELP C[NH+](CC(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1)[C@H]1CCSC1 ZINC000774236215 577390980 /nfs/dbraw/zinc/39/09/80/577390980.db2.gz DFNYUERXQBGZSG-GJZGRUSLSA-N 2 2 338.473 2.225 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000176075565 676849440 /nfs/dbraw/zinc/84/94/40/676849440.db2.gz VSRJMRKQKSVGNS-YJBOKZPZSA-N 2 2 332.448 2.035 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000176075565 676849443 /nfs/dbraw/zinc/84/94/43/676849443.db2.gz VSRJMRKQKSVGNS-YJBOKZPZSA-N 2 2 332.448 2.035 10 0 EEAELP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@H]1CCCOC1 ZINC000895662305 684676199 /nfs/dbraw/zinc/67/61/99/684676199.db2.gz DIHPRLVKGOSNTF-RDJZCZTQSA-N 2 2 326.481 2.199 10 0 EEAELP Brc1ccc(/C=C\CC[NH2+][C@@H]2C[NH2+]CCOC2)cc1 ZINC000925723673 687403662 /nfs/dbraw/zinc/40/36/62/687403662.db2.gz SZFFEJLTKJENJI-PEXHTFQZSA-N 2 2 325.250 2.430 10 0 EEAELP Cc1cn(C(C)(C)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)c[nH+]1 ZINC000897816563 691791903 /nfs/dbraw/zinc/79/19/03/691791903.db2.gz PWDASZYBQBJEJN-KRWDZBQOSA-N 2 2 342.443 2.132 10 0 EEAELP COc1cc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1OCCO ZINC000924730885 693296242 /nfs/dbraw/zinc/29/62/42/693296242.db2.gz UPVBIPALMRFBAE-DLBZAZTESA-N 2 2 334.460 2.173 10 0 EEAELP COc1cc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)ccc1OCCO ZINC000924730885 693296245 /nfs/dbraw/zinc/29/62/45/693296245.db2.gz UPVBIPALMRFBAE-DLBZAZTESA-N 2 2 334.460 2.173 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000898490412 693335744 /nfs/dbraw/zinc/33/57/44/693335744.db2.gz HXIPKCFBHDDVLZ-RTBURBONSA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCF)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000898490412 693335746 /nfs/dbraw/zinc/33/57/46/693335746.db2.gz HXIPKCFBHDDVLZ-RTBURBONSA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000898490412 693335752 /nfs/dbraw/zinc/33/57/52/693335752.db2.gz HXIPKCFBHDDVLZ-RTBURBONSA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000898490412 693335756 /nfs/dbraw/zinc/33/57/56/693335756.db2.gz HXIPKCFBHDDVLZ-RTBURBONSA-N 2 2 347.478 2.449 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000898670175 693415486 /nfs/dbraw/zinc/41/54/86/693415486.db2.gz UYDYFZKMFZGNRY-IBGZPJMESA-N 2 2 346.519 2.355 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H](c1ccncc1)C1CCCC1 ZINC000898670175 693415492 /nfs/dbraw/zinc/41/54/92/693415492.db2.gz UYDYFZKMFZGNRY-IBGZPJMESA-N 2 2 346.519 2.355 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485615971 1191863143 /nfs/dbraw/zinc/86/31/43/1191863143.db2.gz KJQBXKUQBDRFID-GYIHYUDTSA-N 2 2 342.418 2.147 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485615971 1191863146 /nfs/dbraw/zinc/86/31/46/1191863146.db2.gz KJQBXKUQBDRFID-GYIHYUDTSA-N 2 2 342.418 2.147 10 0 EEAELP Cc1cc(C[NH2+][C@H](CCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)sn1 ZINC001485790528 1191954297 /nfs/dbraw/zinc/95/42/97/1191954297.db2.gz BJIPIUYTWGFUDP-CQSZACIVSA-N 2 2 335.477 2.038 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cn2)C1 ZINC001266246320 1176014325 /nfs/dbraw/zinc/01/43/25/1176014325.db2.gz NNLVKWBBRMQJAK-QGZVFWFLSA-N 2 2 336.455 2.033 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001266246320 1176014334 /nfs/dbraw/zinc/01/43/34/1176014334.db2.gz NNLVKWBBRMQJAK-QGZVFWFLSA-N 2 2 336.455 2.033 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cn2cc[nH+]c2)oc1C ZINC001266247134 1176018406 /nfs/dbraw/zinc/01/84/06/1176018406.db2.gz DBYSJFQOELICDI-MRXNPFEDSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H]2CCCNC(=O)Cn2cc[nH+]c2)oc1C ZINC001266247134 1176018415 /nfs/dbraw/zinc/01/84/15/1176018415.db2.gz DBYSJFQOELICDI-MRXNPFEDSA-N 2 2 345.447 2.049 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001671359681 1177059750 /nfs/dbraw/zinc/05/97/50/1177059750.db2.gz MSDZOLQAMGDFAY-GFCCVEGCSA-N 2 2 332.370 2.265 10 0 EEAELP CCC[NH2+]C[C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)C[C@H]1OCC ZINC001691318994 1177902797 /nfs/dbraw/zinc/90/27/97/1177902797.db2.gz VPVAQSUQEOHCFP-IAGOWNOFSA-N 2 2 344.459 2.119 10 0 EEAELP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001691369337 1177973980 /nfs/dbraw/zinc/97/39/80/1177973980.db2.gz MYJLDOUWHRXWHZ-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCC1CC1 ZINC001267284895 1178681648 /nfs/dbraw/zinc/68/16/48/1178681648.db2.gz VYVSWUPLLIKYPK-QGZVFWFLSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCC1CC1 ZINC001267284895 1178681651 /nfs/dbraw/zinc/68/16/51/1178681651.db2.gz VYVSWUPLLIKYPK-QGZVFWFLSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001267434111 1179002957 /nfs/dbraw/zinc/00/29/57/1179002957.db2.gz RTWNWQUFQRSCEX-GFCCVEGCSA-N 2 2 335.477 2.156 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C)on1)[NH+](CC)CC ZINC001481056018 1179642584 /nfs/dbraw/zinc/64/25/84/1179642584.db2.gz DXXXYGICQBQKBY-IAGOWNOFSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C)on1)[NH+](CC)CC ZINC001481056018 1179642589 /nfs/dbraw/zinc/64/25/89/1179642589.db2.gz DXXXYGICQBQKBY-IAGOWNOFSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncc(C[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001481201095 1180094732 /nfs/dbraw/zinc/09/47/32/1180094732.db2.gz VQAAWTSXFXADRZ-GOSISDBHSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1ncc(C[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001481201095 1180094734 /nfs/dbraw/zinc/09/47/34/1180094734.db2.gz VQAAWTSXFXADRZ-GOSISDBHSA-N 2 2 348.491 2.184 10 0 EEAELP COCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001267709677 1180235282 /nfs/dbraw/zinc/23/52/82/1180235282.db2.gz UIAKQHFQXFOQLF-BZSNNMDCSA-N 2 2 348.491 2.182 10 0 EEAELP COCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001267709677 1180235286 /nfs/dbraw/zinc/23/52/86/1180235286.db2.gz UIAKQHFQXFOQLF-BZSNNMDCSA-N 2 2 348.491 2.182 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001481245341 1180435637 /nfs/dbraw/zinc/43/56/37/1180435637.db2.gz HYYJATKXKSLTBN-UHFFFAOYSA-N 2 2 331.460 2.261 10 0 EEAELP CC[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001267825074 1180591632 /nfs/dbraw/zinc/59/16/32/1180591632.db2.gz LGAAAGHEFWTLMD-CQSZACIVSA-N 2 2 349.866 2.086 10 0 EEAELP COCC[NH2+][C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001481366120 1181135243 /nfs/dbraw/zinc/13/52/43/1181135243.db2.gz VRBBCCAJABRDTC-QGZVFWFLSA-N 2 2 344.459 2.020 10 0 EEAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[C@H]2CC[NH+](CC3CC3)C2)[nH]n1 ZINC001481430757 1181318070 /nfs/dbraw/zinc/31/80/70/1181318070.db2.gz BTNGJLDPWHXGSI-YJBOKZPZSA-N 2 2 345.491 2.028 10 0 EEAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[C@H]2CC[NH+](CC3CC3)C2)[nH]n1 ZINC001481430757 1181318076 /nfs/dbraw/zinc/31/80/76/1181318076.db2.gz BTNGJLDPWHXGSI-YJBOKZPZSA-N 2 2 345.491 2.028 10 0 EEAELP C[NH+]1CCC[C@H]1c1cc(C(=O)NCC[C@H]2CC[N@H+](CC3CC3)C2)[nH]n1 ZINC001481430757 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HIMARYCDEBLYCZ-HNNXBMFYSA-N 2 2 342.443 2.021 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268375519 1182390185 /nfs/dbraw/zinc/39/01/85/1182390185.db2.gz PFICZVSIZJAHNI-LBPRGKRZSA-N 2 2 341.390 2.395 10 0 EEAELP Cc1noc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268403920 1182510399 /nfs/dbraw/zinc/51/03/99/1182510399.db2.gz DZXDDFJOLJHMBX-OLZOCXBDSA-N 2 2 333.436 2.124 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001481775229 1182671447 /nfs/dbraw/zinc/67/14/47/1182671447.db2.gz LPTKAZKJRUFIFT-RHSMWYFYSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001481775229 1182671453 /nfs/dbraw/zinc/67/14/53/1182671453.db2.gz LPTKAZKJRUFIFT-RHSMWYFYSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCO[C@@H](C)C1)C(=O)c1cccc2[nH+]ccn21 ZINC001268464148 1182773625 /nfs/dbraw/zinc/77/36/25/1182773625.db2.gz AQYYMMAZHHSWEC-JKSUJKDBSA-N 2 2 344.459 2.201 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001481861008 1182826927 /nfs/dbraw/zinc/82/69/27/1182826927.db2.gz HCCRZBNQXYAMHG-YJBOKZPZSA-N 2 2 340.471 2.242 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)Cc1c[nH+]cn1C ZINC001268491370 1182984835 /nfs/dbraw/zinc/98/48/35/1182984835.db2.gz OGOMSYCRPAGVHV-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001482027662 1183156609 /nfs/dbraw/zinc/15/66/09/1183156609.db2.gz KUVACOIPBBMDTE-WKILWMFISA-N 2 2 345.447 2.177 10 0 EEAELP Cc1cccc(Cl)c1C[NH2+]C/C=C\CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268595577 1183439300 /nfs/dbraw/zinc/43/93/00/1183439300.db2.gz FQIIIIGBMOFADU-IHWYPQMZSA-N 2 2 332.835 2.376 10 0 EEAELP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268864317 1183773915 /nfs/dbraw/zinc/77/39/15/1183773915.db2.gz FSOPODSOBLMZJD-MRXNPFEDSA-N 2 2 329.448 2.176 10 0 EEAELP C[C@@H](CC(=O)N1CCC(CC[NH2+]C[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001269914223 1184713665 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ATHSSJGICXHIPG-DLBZAZTESA-N 2 2 326.444 2.069 10 0 EEAELP COc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001482890822 1187817225 /nfs/dbraw/zinc/81/72/25/1187817225.db2.gz NTUCZHDQURBOGE-GFCCVEGCSA-N 2 2 348.422 2.093 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(Cl)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001482906492 1187831996 /nfs/dbraw/zinc/83/19/96/1187831996.db2.gz ZPRNLOYAVBKCQS-GFCCVEGCSA-N 2 2 338.814 2.360 10 0 EEAELP CCN(CC[NH2+]CCC[C@@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001482938637 1187859974 /nfs/dbraw/zinc/85/99/74/1187859974.db2.gz GQKSYCQCTHMHDM-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP CCN(CC[NH2+]C[C@H](OC)C1CCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001482939708 1187863172 /nfs/dbraw/zinc/86/31/72/1187863172.db2.gz QSSMXRALDGKTKA-KRWDZBQOSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)CCc1[nH+]ccn1C ZINC001483035947 1188062538 /nfs/dbraw/zinc/06/25/38/1188062538.db2.gz CGLVANGPDAIGJB-ARJAWSKDSA-N 2 2 344.434 2.262 10 0 EEAELP 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ZINC001483668890 1190728035 /nfs/dbraw/zinc/72/80/35/1190728035.db2.gz MJOZRLLELGLSHY-KRWDZBQOSA-N 2 2 337.427 2.145 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC001483668890 1190728037 /nfs/dbraw/zinc/72/80/37/1190728037.db2.gz MJOZRLLELGLSHY-KRWDZBQOSA-N 2 2 337.427 2.145 10 0 EEAELP Cc1ncsc1CC[N@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483684805 1190748230 /nfs/dbraw/zinc/74/82/30/1190748230.db2.gz YTIAOCZGRDCQAD-ZFWWWQNUSA-N 2 2 347.488 2.032 10 0 EEAELP Cc1ncsc1CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001483684805 1190748232 /nfs/dbraw/zinc/74/82/32/1190748232.db2.gz YTIAOCZGRDCQAD-ZFWWWQNUSA-N 2 2 347.488 2.032 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001409903101 1190987245 /nfs/dbraw/zinc/98/72/45/1190987245.db2.gz BGBADQSNYCGWAD-ZDUSSCGKSA-N 2 2 348.397 2.106 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC001483796728 1191039491 /nfs/dbraw/zinc/03/94/91/1191039491.db2.gz JPOWTOPVUKWLIR-QGZVFWFLSA-N 2 2 342.418 2.338 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001483803021 1191044102 /nfs/dbraw/zinc/04/41/02/1191044102.db2.gz YMVTWCWOHUFBDI-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001483803021 1191044103 /nfs/dbraw/zinc/04/41/03/1191044103.db2.gz YMVTWCWOHUFBDI-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP COCCCC[NH+]1CCC2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001483837117 1191087624 /nfs/dbraw/zinc/08/76/24/1191087624.db2.gz YHQJFLXLGURBAP-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP CC(C)OCC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001483873910 1191103372 /nfs/dbraw/zinc/10/33/72/1191103372.db2.gz ZVMSSFYJKBTKDQ-UHFFFAOYSA-N 2 2 339.524 2.066 10 0 EEAELP CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1CC ZINC001484322217 1191303991 /nfs/dbraw/zinc/30/39/91/1191303991.db2.gz CASRREYOTAUPCR-LPHOPBHVSA-N 2 2 340.471 2.475 10 0 EEAELP 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CC1(C2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)OCCO1 ZINC000824789853 788319261 /nfs/dbraw/zinc/31/92/61/788319261.db2.gz ROCFXHBUAUTQDR-UHFFFAOYSA-N 2 2 328.416 2.242 10 0 EEAELP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174377540 792083137 /nfs/dbraw/zinc/08/31/37/792083137.db2.gz ISWIMCBHPQYJAO-SFHVURJKSA-N 2 2 337.427 2.028 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(CF)cc1 ZINC001437174420 1089205291 /nfs/dbraw/zinc/20/52/91/1089205291.db2.gz XHQHZERRCSIWTQ-WMLDXEAASA-N 2 2 344.434 2.210 10 0 EEAELP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+][C@H]1CCc2ccccc21 ZINC001437419527 1089701696 /nfs/dbraw/zinc/70/16/96/1089701696.db2.gz UILLTWSZROCPNC-KDOFPFPSSA-N 2 2 326.444 2.135 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001437676383 1090208877 /nfs/dbraw/zinc/20/88/77/1090208877.db2.gz TVQFFGAZWDPGQY-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001437676383 1090208880 /nfs/dbraw/zinc/20/88/80/1090208880.db2.gz TVQFFGAZWDPGQY-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001437823895 1090415285 /nfs/dbraw/zinc/41/52/85/1090415285.db2.gz RYIBUZVPQNFOBP-CQSZACIVSA-N 2 2 330.407 2.364 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001437823895 1090415287 /nfs/dbraw/zinc/41/52/87/1090415287.db2.gz RYIBUZVPQNFOBP-CQSZACIVSA-N 2 2 330.407 2.364 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001438118235 1090649980 /nfs/dbraw/zinc/64/99/80/1090649980.db2.gz IGWSSPYGGODKLG-CYBMUJFWSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001438118235 1090649982 /nfs/dbraw/zinc/64/99/82/1090649982.db2.gz IGWSSPYGGODKLG-CYBMUJFWSA-N 2 2 340.418 2.216 10 0 EEAELP Cc1ncc(C[NH+]2CC(CNC(=O)CC[N@@H+](C)C3CCCCC3)C2)o1 ZINC001438152805 1090667623 /nfs/dbraw/zinc/66/76/23/1090667623.db2.gz AGPJGWCEBLAREX-UHFFFAOYSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1ncc(C[NH+]2CC(CNC(=O)CC[N@H+](C)C3CCCCC3)C2)o1 ZINC001438152805 1090667628 /nfs/dbraw/zinc/66/76/28/1090667628.db2.gz AGPJGWCEBLAREX-UHFFFAOYSA-N 2 2 348.491 2.186 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001438271092 1090753581 /nfs/dbraw/zinc/75/35/81/1090753581.db2.gz DBNUYRPOJCWJMQ-MRXNPFEDSA-N 2 2 332.473 2.376 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001438271092 1090753585 /nfs/dbraw/zinc/75/35/85/1090753585.db2.gz DBNUYRPOJCWJMQ-MRXNPFEDSA-N 2 2 332.473 2.376 10 0 EEAELP CCc1nc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)n2c[nH+]c(C)c2)cs1 ZINC001445399824 1091146441 /nfs/dbraw/zinc/14/64/41/1091146441.db2.gz WVOZXJZIMRIFOC-GFCCVEGCSA-N 2 2 349.504 2.240 10 0 EEAELP C[N@H+](CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1)Cc1ccns1 ZINC001438772365 1091358462 /nfs/dbraw/zinc/35/84/62/1091358462.db2.gz GMTWCBBCVSDMLD-UHFFFAOYSA-N 2 2 347.488 2.100 10 0 EEAELP C[N@@H+](CCC1CCN(C(=O)Cn2cc[nH+]c2)CC1)Cc1ccns1 ZINC001438772365 1091358471 /nfs/dbraw/zinc/35/84/71/1091358471.db2.gz GMTWCBBCVSDMLD-UHFFFAOYSA-N 2 2 347.488 2.100 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001445621152 1091416662 /nfs/dbraw/zinc/41/66/62/1091416662.db2.gz CEDLDFMYMKGZRB-ZUZCIYMTSA-N 2 2 334.370 2.012 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001445648482 1091437936 /nfs/dbraw/zinc/43/79/36/1091437936.db2.gz JYLMGXIKTOIGTJ-LSDHHAIUSA-N 2 2 344.459 2.217 10 0 EEAELP CC(C)[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1nccs1 ZINC001438830283 1091449963 /nfs/dbraw/zinc/44/99/63/1091449963.db2.gz CZBBZHNMMLPATA-KGLIPLIRSA-N 2 2 335.477 2.221 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)CCc2ccns2)c[nH+]1 ZINC001438889635 1091534057 /nfs/dbraw/zinc/53/40/57/1091534057.db2.gz KTTBXPGPKACGDD-UHFFFAOYSA-N 2 2 349.504 2.016 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)CCc2ccns2)c[nH+]1 ZINC001438889635 1091534060 /nfs/dbraw/zinc/53/40/60/1091534060.db2.gz KTTBXPGPKACGDD-UHFFFAOYSA-N 2 2 349.504 2.016 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001438890658 1091536721 /nfs/dbraw/zinc/53/67/21/1091536721.db2.gz RDTSXTRAIAKBGF-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001438890658 1091536729 /nfs/dbraw/zinc/53/67/29/1091536729.db2.gz RDTSXTRAIAKBGF-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001438890658 1091536737 /nfs/dbraw/zinc/53/67/37/1091536737.db2.gz RDTSXTRAIAKBGF-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001438890658 1091536742 /nfs/dbraw/zinc/53/67/42/1091536742.db2.gz RDTSXTRAIAKBGF-ZBFHGGJFSA-N 2 2 336.505 2.050 10 0 EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2nocc2C)C1 ZINC001445787230 1091654739 /nfs/dbraw/zinc/65/47/39/1091654739.db2.gz SPJPLMNXYOFIBX-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2nocc2C)C1 ZINC001445787230 1091654747 /nfs/dbraw/zinc/65/47/47/1091654747.db2.gz SPJPLMNXYOFIBX-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc2nocc2C)C1 ZINC001445787230 1091654749 /nfs/dbraw/zinc/65/47/49/1091654749.db2.gz SPJPLMNXYOFIBX-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc2nocc2C)C1 ZINC001445787230 1091654756 /nfs/dbraw/zinc/65/47/56/1091654756.db2.gz SPJPLMNXYOFIBX-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001445973300 1091929025 /nfs/dbraw/zinc/92/90/25/1091929025.db2.gz NSHDCFOFQCSSDH-INIZCTEOSA-N 2 2 332.492 2.273 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1cccs1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439381398 1092125852 /nfs/dbraw/zinc/12/58/52/1092125852.db2.gz LBGCMEXBIPWEES-KBPBESRZSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1cccs1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439381398 1092125855 /nfs/dbraw/zinc/12/58/55/1092125855.db2.gz LBGCMEXBIPWEES-KBPBESRZSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1cccs1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001439381398 1092125860 /nfs/dbraw/zinc/12/58/60/1092125860.db2.gz LBGCMEXBIPWEES-KBPBESRZSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1cccs1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001439381398 1092125867 /nfs/dbraw/zinc/12/58/67/1092125867.db2.gz LBGCMEXBIPWEES-KBPBESRZSA-N 2 2 334.489 2.329 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001439386227 1092133307 /nfs/dbraw/zinc/13/33/07/1092133307.db2.gz ZPWHNSCKYRTBGD-KGLIPLIRSA-N 2 2 330.432 2.159 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001439386227 1092133314 /nfs/dbraw/zinc/13/33/14/1092133314.db2.gz ZPWHNSCKYRTBGD-KGLIPLIRSA-N 2 2 330.432 2.159 10 0 EEAELP Cc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1F ZINC001446193335 1092269079 /nfs/dbraw/zinc/26/90/79/1092269079.db2.gz AHNVKDVAYGKXBP-HUUCEWRRSA-N 2 2 342.418 2.399 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)c(C)o1 ZINC001446248492 1092370343 /nfs/dbraw/zinc/37/03/43/1092370343.db2.gz XFGGDIHKKPJROO-AWEZNQCLSA-N 2 2 348.491 2.294 10 0 EEAELP C[C@@]1(C[NH2+]Cc2ccc(F)c(F)c2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001439904450 1092969356 /nfs/dbraw/zinc/96/93/56/1092969356.db2.gz AVPMYPCGTVHYIP-SFHVURJKSA-N 2 2 348.397 2.190 10 0 EEAELP Cc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCn3cc[nH+]c3)C2)s1 ZINC001440392115 1093568458 /nfs/dbraw/zinc/56/84/58/1093568458.db2.gz VNFBUWYPTHCNBZ-LSDHHAIUSA-N 2 2 347.488 2.113 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001440402293 1093589022 /nfs/dbraw/zinc/58/90/22/1093589022.db2.gz OLEWJIAGKWKPSV-WMLDXEAASA-N 2 2 344.434 2.474 10 0 EEAELP Cc1ncoc1C[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001440407205 1093597468 /nfs/dbraw/zinc/59/74/68/1093597468.db2.gz RNJKUBWAIFZJTI-ZBFHGGJFSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1ncoc1C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001440407205 1093597480 /nfs/dbraw/zinc/59/74/80/1093597480.db2.gz RNJKUBWAIFZJTI-ZBFHGGJFSA-N 2 2 345.447 2.302 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001448604258 1093669664 /nfs/dbraw/zinc/66/96/64/1093669664.db2.gz MIPLRGKXPCWXSH-RDTXWAMCSA-N 2 2 341.459 2.010 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccc(F)c(F)c1)C(=O)Cn1cc[nH+]c1 ZINC001440476857 1093706990 /nfs/dbraw/zinc/70/69/90/1093706990.db2.gz BYOKYKXXZGPDBU-UHFFFAOYSA-N 2 2 336.386 2.142 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccc(F)c(F)c1)C(=O)Cn1cc[nH+]c1 ZINC001440476857 1093706997 /nfs/dbraw/zinc/70/69/97/1093706997.db2.gz BYOKYKXXZGPDBU-UHFFFAOYSA-N 2 2 336.386 2.142 10 0 EEAELP CCC1([NH2+]Cc2ccccn2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001440530857 1093789898 /nfs/dbraw/zinc/78/98/98/1093789898.db2.gz RXMUVYSCHLDHMO-UHFFFAOYSA-N 2 2 341.459 2.229 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001449224630 1094177870 /nfs/dbraw/zinc/17/78/70/1094177870.db2.gz FXYYNXPEWNKXPO-CVEARBPZSA-N 2 2 338.496 2.022 10 0 EEAELP C[C@H](CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001449224630 1094177874 /nfs/dbraw/zinc/17/78/74/1094177874.db2.gz FXYYNXPEWNKXPO-CVEARBPZSA-N 2 2 338.496 2.022 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)CC1CCCCC1 ZINC001440944750 1094197378 /nfs/dbraw/zinc/19/73/78/1094197378.db2.gz PSVWVDOKVAQPKY-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CC1CCCCC1 ZINC001440944750 1094197380 /nfs/dbraw/zinc/19/73/80/1094197380.db2.gz PSVWVDOKVAQPKY-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1cnc(Cl)s1 ZINC001441038062 1094332339 /nfs/dbraw/zinc/33/23/39/1094332339.db2.gz OXHFHBSNHINWKE-LLVKDONJSA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1cnc(Cl)s1 ZINC001441038062 1094332346 /nfs/dbraw/zinc/33/23/46/1094332346.db2.gz OXHFHBSNHINWKE-LLVKDONJSA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC001441038062 1094332350 /nfs/dbraw/zinc/33/23/50/1094332350.db2.gz OXHFHBSNHINWKE-LLVKDONJSA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001441038062 1094332354 /nfs/dbraw/zinc/33/23/54/1094332354.db2.gz OXHFHBSNHINWKE-LLVKDONJSA-N 2 2 332.901 2.073 10 0 EEAELP C[N@H+](C/C=C/Cl)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441300495 1094746664 /nfs/dbraw/zinc/74/66/64/1094746664.db2.gz JEULMWOAVPBZOJ-GJHQIEJQSA-N 2 2 336.867 2.436 10 0 EEAELP C[N@@H+](C/C=C/Cl)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441300495 1094746672 /nfs/dbraw/zinc/74/66/72/1094746672.db2.gz JEULMWOAVPBZOJ-GJHQIEJQSA-N 2 2 336.867 2.436 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCC1CCCC1 ZINC001441558501 1095303687 /nfs/dbraw/zinc/30/36/87/1095303687.db2.gz ODVHSUOOPRZKFD-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)no1 ZINC001441656165 1095617913 /nfs/dbraw/zinc/61/79/13/1095617913.db2.gz KUVGOJIQRUHDDY-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP CC[C@H](F)C[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001441869409 1095980979 /nfs/dbraw/zinc/98/09/79/1095980979.db2.gz KSUMZZBQOAQBIH-DAYGRLMNSA-N 2 2 336.455 2.214 10 0 EEAELP CC[C@H](F)C[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001441869409 1095980985 /nfs/dbraw/zinc/98/09/85/1095980985.db2.gz KSUMZZBQOAQBIH-DAYGRLMNSA-N 2 2 336.455 2.214 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC[C@H]1CCCCO1 ZINC001441904623 1096069143 /nfs/dbraw/zinc/06/91/43/1096069143.db2.gz HPIVJWPIVSWWER-LSDHHAIUSA-N 2 2 330.432 2.001 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ncc(C)s1 ZINC001442706212 1097075366 /nfs/dbraw/zinc/07/53/66/1097075366.db2.gz PYVBKOARGDIICV-ZFWWWQNUSA-N 2 2 338.521 2.120 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ncc(C)s1 ZINC001442706212 1097075372 /nfs/dbraw/zinc/07/53/72/1097075372.db2.gz PYVBKOARGDIICV-ZFWWWQNUSA-N 2 2 338.521 2.120 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ncc(C)s1 ZINC001442706212 1097075379 /nfs/dbraw/zinc/07/53/79/1097075379.db2.gz PYVBKOARGDIICV-ZFWWWQNUSA-N 2 2 338.521 2.120 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ncc(C)s1 ZINC001442706212 1097075386 /nfs/dbraw/zinc/07/53/86/1097075386.db2.gz PYVBKOARGDIICV-ZFWWWQNUSA-N 2 2 338.521 2.120 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001443877454 1098403792 /nfs/dbraw/zinc/40/37/92/1098403792.db2.gz XVUDVIVFCSVNII-HNNXBMFYSA-N 2 2 347.488 2.079 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001443877454 1098403798 /nfs/dbraw/zinc/40/37/98/1098403798.db2.gz XVUDVIVFCSVNII-HNNXBMFYSA-N 2 2 347.488 2.079 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccccc1F ZINC001443945910 1098465940 /nfs/dbraw/zinc/46/59/40/1098465940.db2.gz ZSWHZYXEZBBAFB-RBSFLKMASA-N 2 2 330.407 2.337 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001479478956 1098558738 /nfs/dbraw/zinc/55/87/38/1098558738.db2.gz NOADFAOTIHVWKK-BLLLJJGKSA-N 2 2 348.397 2.305 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001444427885 1099051323 /nfs/dbraw/zinc/05/13/23/1099051323.db2.gz UUKLGOVMCLCCRU-UONOGXRCSA-N 2 2 344.459 2.372 10 0 EEAELP COCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001479822376 1099099909 /nfs/dbraw/zinc/09/99/09/1099099909.db2.gz IBFXZLZHXFFOMK-WBVHZDCISA-N 2 2 349.475 2.028 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCc2c1c(F)ccc2F)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444689579 1099538882 /nfs/dbraw/zinc/53/88/82/1099538882.db2.gz JDRIZGHYSQPECU-XHDPSFHLSA-N 2 2 348.397 2.354 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCCCC(F)(F)F ZINC001480491302 1100302783 /nfs/dbraw/zinc/30/27/83/1100302783.db2.gz XNNIRTSPCVXUSS-STQMWFEESA-N 2 2 346.397 2.272 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[NH2+]Cc1csc(C)n1 ZINC001445362369 1100598230 /nfs/dbraw/zinc/59/82/30/1100598230.db2.gz KNALFZSSJPTLAY-OLZOCXBDSA-N 2 2 349.504 2.456 10 0 EEAELP CN(C(=O)C1(C[NH+](C)C)CC1)C1C[NH+](Cc2cc3ccccc3o2)C1 ZINC001446379846 1100758973 /nfs/dbraw/zinc/75/89/73/1100758973.db2.gz IRKSWVXHBUXLFA-UHFFFAOYSA-N 2 2 341.455 2.417 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)no1 ZINC001496247948 1100816897 /nfs/dbraw/zinc/81/68/97/1100816897.db2.gz IZLFUOBPHYKJMR-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP CC1(C)CO[C@H](C[NH+]2CCC(C)(NC(=O)CCc3c[nH]c[nH+]3)CC2)C1 ZINC001446461866 1100884664 /nfs/dbraw/zinc/88/46/64/1100884664.db2.gz FPRROXVJSFSMPJ-INIZCTEOSA-N 2 2 348.491 2.128 10 0 EEAELP CC1(C)CO[C@H](C[NH+]2CCC(C)(NC(=O)CCc3c[nH+]c[nH]3)CC2)C1 ZINC001446461866 1100884669 /nfs/dbraw/zinc/88/46/69/1100884669.db2.gz FPRROXVJSFSMPJ-INIZCTEOSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@H](C[NH+]1CCC(C)(NC(=O)CCn2cc[nH+]c2)CC1)C1CC1 ZINC001446475602 1100902411 /nfs/dbraw/zinc/90/24/11/1100902411.db2.gz JOIFGHSJXYGCBJ-QGZVFWFLSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CCCC2)no1 ZINC001446487917 1100924076 /nfs/dbraw/zinc/92/40/76/1100924076.db2.gz GIDAFULCTZVDMD-QZTJIDSGSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CCCC2)no1 ZINC001446487917 1100924084 /nfs/dbraw/zinc/92/40/84/1100924084.db2.gz GIDAFULCTZVDMD-QZTJIDSGSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495279728 1100977183 /nfs/dbraw/zinc/97/71/83/1100977183.db2.gz CWLIJNJCJBNZMY-AUUYWEPGSA-N 2 2 341.459 2.058 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@](C)(C[NH2+]Cc1ccccn1)C1CC1 ZINC001495279728 1100977189 /nfs/dbraw/zinc/97/71/89/1100977189.db2.gz CWLIJNJCJBNZMY-AUUYWEPGSA-N 2 2 341.459 2.058 10 0 EEAELP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001495361549 1101076935 /nfs/dbraw/zinc/07/69/35/1101076935.db2.gz ZCQXWEHJODKHPN-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP Cc1oncc1C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001446602703 1101099650 /nfs/dbraw/zinc/09/96/50/1101099650.db2.gz QCAXWNCFDZFGLQ-SFHVURJKSA-N 2 2 345.447 2.012 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001446731231 1101311509 /nfs/dbraw/zinc/31/15/09/1101311509.db2.gz ZGHJZDPYRFIWRJ-ZIAGYGMSSA-N 2 2 346.397 2.095 10 0 EEAELP CC[C@@H](F)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001446731231 1101311519 /nfs/dbraw/zinc/31/15/19/1101311519.db2.gz ZGHJZDPYRFIWRJ-ZIAGYGMSSA-N 2 2 346.397 2.095 10 0 EEAELP C[C@H](F)CC[N@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001447082981 1101954720 /nfs/dbraw/zinc/95/47/20/1101954720.db2.gz PCEUVIXDUPXCBC-HNNXBMFYSA-N 2 2 332.423 2.379 10 0 EEAELP C[C@H](F)CC[N@@H+](C)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001447082981 1101954725 /nfs/dbraw/zinc/95/47/25/1101954725.db2.gz PCEUVIXDUPXCBC-HNNXBMFYSA-N 2 2 332.423 2.379 10 0 EEAELP CO[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001496096130 1102052744 /nfs/dbraw/zinc/05/27/44/1102052744.db2.gz SDXFSVGNCOPZBE-UGSOOPFHSA-N 2 2 344.459 2.428 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001497281259 1102247033 /nfs/dbraw/zinc/24/70/33/1102247033.db2.gz BLNDBNHZIYXULH-OLZOCXBDSA-N 2 2 333.436 2.124 10 0 EEAELP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1F ZINC001497318886 1102311507 /nfs/dbraw/zinc/31/15/07/1102311507.db2.gz XXDGOKWUIPXZMT-LBPRGKRZSA-N 2 2 348.422 2.093 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)Cc1[nH]c[nH+]c1C ZINC001497490127 1102571890 /nfs/dbraw/zinc/57/18/90/1102571890.db2.gz FIDLTVMDISHUFR-UHFFFAOYSA-N 2 2 332.423 2.346 10 0 EEAELP Cc1ccncc1C[NH2+]C/C=C\CNC(=O)c1cccc2[nH+]ccn21 ZINC001497631315 1102778816 /nfs/dbraw/zinc/77/88/16/1102778816.db2.gz AOUWCIBPVJCEPU-IHWYPQMZSA-N 2 2 335.411 2.114 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC001494084592 1103496639 /nfs/dbraw/zinc/49/66/39/1103496639.db2.gz HYQKZVFOSQXANL-INIZCTEOSA-N 2 2 344.434 2.093 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001494084592 1103496646 /nfs/dbraw/zinc/49/66/46/1103496646.db2.gz HYQKZVFOSQXANL-INIZCTEOSA-N 2 2 344.434 2.093 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1ccns1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001447968654 1103701191 /nfs/dbraw/zinc/70/11/91/1103701191.db2.gz CMNROYQRBPXLPL-ZIAGYGMSSA-N 2 2 347.488 2.244 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1ccns1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001447968654 1103701201 /nfs/dbraw/zinc/70/12/01/1103701201.db2.gz CMNROYQRBPXLPL-ZIAGYGMSSA-N 2 2 347.488 2.244 10 0 EEAELP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1sccc1Cl ZINC001448148396 1104110198 /nfs/dbraw/zinc/11/01/98/1104110198.db2.gz PELUZIBLRSSKKF-GFCCVEGCSA-N 2 2 329.897 2.434 10 0 EEAELP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1sccc1Cl ZINC001448148396 1104110201 /nfs/dbraw/zinc/11/02/01/1104110201.db2.gz PELUZIBLRSSKKF-GFCCVEGCSA-N 2 2 329.897 2.434 10 0 EEAELP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(C)ccc1F ZINC001495039290 1104680279 /nfs/dbraw/zinc/68/02/79/1104680279.db2.gz WRFDFKYVUINDNR-MRXNPFEDSA-N 2 2 332.423 2.405 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1Cl)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498063177 1106870211 /nfs/dbraw/zinc/87/02/11/1106870211.db2.gz ZFNZXACKRGNJHB-DZGCQCFKSA-N 2 2 346.862 2.393 10 0 EEAELP CCOCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001480703705 1106918944 /nfs/dbraw/zinc/91/89/44/1106918944.db2.gz UQIHDTLOYPAOMM-CABCVRRESA-N 2 2 330.432 2.001 10 0 EEAELP Cc1nocc1C[NH2+][C@H]1CCC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480711217 1106936953 /nfs/dbraw/zinc/93/69/53/1106936953.db2.gz VRODSHIIRQWLBH-IRXDYDNUSA-N 2 2 345.447 2.177 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001480740233 1107027440 /nfs/dbraw/zinc/02/74/40/1107027440.db2.gz WYHOFNDXHWDWLY-KRWDZBQOSA-N 2 2 348.491 2.317 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001480740233 1107027455 /nfs/dbraw/zinc/02/74/55/1107027455.db2.gz WYHOFNDXHWDWLY-KRWDZBQOSA-N 2 2 348.491 2.317 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001480740233 1107027469 /nfs/dbraw/zinc/02/74/69/1107027469.db2.gz WYHOFNDXHWDWLY-KRWDZBQOSA-N 2 2 348.491 2.317 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001480740233 1107027484 /nfs/dbraw/zinc/02/74/84/1107027484.db2.gz WYHOFNDXHWDWLY-KRWDZBQOSA-N 2 2 348.491 2.317 10 0 EEAELP C[C@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1 ZINC001480775029 1107092271 /nfs/dbraw/zinc/09/22/71/1107092271.db2.gz XNFQCPONVFSOLU-WBVHZDCISA-N 2 2 326.444 2.130 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001480825167 1107200856 /nfs/dbraw/zinc/20/08/56/1107200856.db2.gz ZNUKYZSHFZGLKE-GOSISDBHSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC001480825167 1107200874 /nfs/dbraw/zinc/20/08/74/1107200874.db2.gz ZNUKYZSHFZGLKE-GOSISDBHSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC001480825167 1107200892 /nfs/dbraw/zinc/20/08/92/1107200892.db2.gz ZNUKYZSHFZGLKE-GOSISDBHSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC001480825167 1107200898 /nfs/dbraw/zinc/20/08/98/1107200898.db2.gz ZNUKYZSHFZGLKE-GOSISDBHSA-N 2 2 341.459 2.298 10 0 EEAELP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001498367943 1107402447 /nfs/dbraw/zinc/40/24/47/1107402447.db2.gz ZNWCQPOJLICJFQ-FUHWJXTLSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001498367943 1107402452 /nfs/dbraw/zinc/40/24/52/1107402452.db2.gz ZNWCQPOJLICJFQ-FUHWJXTLSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001498367943 1107402453 /nfs/dbraw/zinc/40/24/53/1107402453.db2.gz ZNWCQPOJLICJFQ-FUHWJXTLSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001498367943 1107402458 /nfs/dbraw/zinc/40/24/58/1107402458.db2.gz ZNWCQPOJLICJFQ-FUHWJXTLSA-N 2 2 339.524 2.112 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1F ZINC001493067848 1107432689 /nfs/dbraw/zinc/43/26/89/1107432689.db2.gz VVKGRBVOIRNXTA-ZDUSSCGKSA-N 2 2 336.386 2.361 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H](C)c1ccc(F)cc1F ZINC001493067848 1107432698 /nfs/dbraw/zinc/43/26/98/1107432698.db2.gz VVKGRBVOIRNXTA-ZDUSSCGKSA-N 2 2 336.386 2.361 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(F)cc1F ZINC001498632421 1107849075 /nfs/dbraw/zinc/84/90/75/1107849075.db2.gz HKOAIDISKJPIDA-LBPRGKRZSA-N 2 2 336.386 2.430 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@@H](C[NH2+]Cc2ccsc2)C2CC2)no1 ZINC001498784875 1108098366 /nfs/dbraw/zinc/09/83/66/1108098366.db2.gz UVBJYZBKCBBUQB-INIZCTEOSA-N 2 2 348.472 2.096 10 0 EEAELP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC001460937650 1110328935 /nfs/dbraw/zinc/32/89/35/1110328935.db2.gz CBELORGQCCZWSS-UHFFFAOYSA-N 2 2 328.460 2.376 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC001470008185 1110500067 /nfs/dbraw/zinc/50/00/67/1110500067.db2.gz UQETULANWKPFIC-UHFFFAOYSA-N 2 2 349.519 2.363 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1ccc(C(C)(C)C)cc1 ZINC001470008185 1110500068 /nfs/dbraw/zinc/50/00/68/1110500068.db2.gz UQETULANWKPFIC-UHFFFAOYSA-N 2 2 349.519 2.363 10 0 EEAELP CC[C@@H]1CCCC[C@H]1CNC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC001470349979 1110505247 /nfs/dbraw/zinc/50/52/47/1110505247.db2.gz ABKWTNDITDXWPH-SJORKVTESA-N 2 2 326.529 2.386 10 0 EEAELP CC[C@@H]1CCCC[C@H]1CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC001470349979 1110505249 /nfs/dbraw/zinc/50/52/49/1110505249.db2.gz ABKWTNDITDXWPH-SJORKVTESA-N 2 2 326.529 2.386 10 0 EEAELP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001471521031 1110524186 /nfs/dbraw/zinc/52/41/86/1110524186.db2.gz XMHUDTNGXONOOQ-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001471521031 1110524188 /nfs/dbraw/zinc/52/41/88/1110524188.db2.gz XMHUDTNGXONOOQ-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001471521031 1110524191 /nfs/dbraw/zinc/52/41/91/1110524191.db2.gz XMHUDTNGXONOOQ-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001471521031 1110524193 /nfs/dbraw/zinc/52/41/93/1110524193.db2.gz XMHUDTNGXONOOQ-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001472330135 1110552016 /nfs/dbraw/zinc/55/20/16/1110552016.db2.gz AWHNJVCRARTLDH-ROUUACIJSA-N 2 2 344.503 2.483 10 0 EEAELP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CCO1 ZINC001472971117 1110569601 /nfs/dbraw/zinc/56/96/01/1110569601.db2.gz UISGHHIVZMAUCX-GJZGRUSLSA-N 2 2 342.443 2.136 10 0 EEAELP Cc1ncc(C[NH2+]C2(CNC(=O)[C@H](CC(C)C)n3cc[nH+]c3)CC2)o1 ZINC001499256231 1112203026 /nfs/dbraw/zinc/20/30/26/1112203026.db2.gz ACHYPRXLPYWEJJ-INIZCTEOSA-N 2 2 345.447 2.205 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)CCc2[nH+]ccn2C)CC1)c1ccccc1F ZINC001499300112 1112224712 /nfs/dbraw/zinc/22/47/12/1112224712.db2.gz ZMXXHVGPUUVMQE-AWEZNQCLSA-N 2 2 344.434 2.491 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001499941296 1112549565 /nfs/dbraw/zinc/54/95/65/1112549565.db2.gz FTBFULQBGTWLTH-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccns2)C1 ZINC001500508749 1112900911 /nfs/dbraw/zinc/90/09/11/1112900911.db2.gz OHLFCTZMLQHVSO-QGZVFWFLSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccns2)C1 ZINC001500508749 1112900917 /nfs/dbraw/zinc/90/09/17/1112900917.db2.gz OHLFCTZMLQHVSO-QGZVFWFLSA-N 2 2 347.488 2.067 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001500552757 1112943390 /nfs/dbraw/zinc/94/33/90/1112943390.db2.gz KYESIDFUHJTABD-MJGOQNOKSA-N 2 2 348.491 2.267 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001500552757 1112943394 /nfs/dbraw/zinc/94/33/94/1112943394.db2.gz KYESIDFUHJTABD-MJGOQNOKSA-N 2 2 348.491 2.267 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccon2)C1 ZINC001500552757 1112943399 /nfs/dbraw/zinc/94/33/99/1112943399.db2.gz KYESIDFUHJTABD-MJGOQNOKSA-N 2 2 348.491 2.267 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccon2)C1 ZINC001500552757 1112943404 /nfs/dbraw/zinc/94/34/04/1112943404.db2.gz KYESIDFUHJTABD-MJGOQNOKSA-N 2 2 348.491 2.267 10 0 EEAELP C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001500614434 1112977230 /nfs/dbraw/zinc/97/72/30/1112977230.db2.gz VTMPYOHIYJSIDF-KBPBESRZSA-N 2 2 346.397 2.095 10 0 EEAELP C[C@H](F)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001500614434 1112977232 /nfs/dbraw/zinc/97/72/32/1112977232.db2.gz VTMPYOHIYJSIDF-KBPBESRZSA-N 2 2 346.397 2.095 10 0 EEAELP COCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001501057546 1113183453 /nfs/dbraw/zinc/18/34/53/1113183453.db2.gz CDHDTPLMWCQWAG-JKSUJKDBSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@@H]([NH2+]CCF)c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001501677520 1113429895 /nfs/dbraw/zinc/42/98/95/1113429895.db2.gz YVCDWWRHDZYWOC-RHSMWYFYSA-N 2 2 344.434 2.382 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CC(C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001505510748 1114029785 /nfs/dbraw/zinc/02/97/85/1114029785.db2.gz QZMQVESGJYEEFN-UHFFFAOYSA-N 2 2 348.397 2.236 10 0 EEAELP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505769706 1114180866 /nfs/dbraw/zinc/18/08/66/1114180866.db2.gz VIXOJVNLBGDKTB-KGLIPLIRSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCc1cccs1 ZINC001505948698 1114295732 /nfs/dbraw/zinc/29/57/32/1114295732.db2.gz TWIVRABERNSWMU-GJZGRUSLSA-N 2 2 346.500 2.186 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCc1cccs1 ZINC001505948698 1114295733 /nfs/dbraw/zinc/29/57/33/1114295733.db2.gz TWIVRABERNSWMU-GJZGRUSLSA-N 2 2 346.500 2.186 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]CCCc1ccccc1 ZINC001507147859 1115133786 /nfs/dbraw/zinc/13/37/86/1115133786.db2.gz KJWLQKSIOFPWEQ-HNNXBMFYSA-N 2 2 328.460 2.330 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)o1 ZINC001507422860 1115260545 /nfs/dbraw/zinc/26/05/45/1115260545.db2.gz VVTOQZGFCABCRL-HZPDHXFCSA-N 2 2 345.447 2.034 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001568206332 1124354330 /nfs/dbraw/zinc/35/43/30/1124354330.db2.gz UYKLEOJBSOAPCI-ZDUSSCGKSA-N 2 2 348.878 2.499 10 0 EEAELP C[C@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001568312711 1124416217 /nfs/dbraw/zinc/41/62/17/1124416217.db2.gz QEFKJIMBSVJQIH-SNVBAGLBSA-N 2 2 333.263 2.443 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCC[C@H]2NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001568535755 1124597746 /nfs/dbraw/zinc/59/77/46/1124597746.db2.gz GWQSSWSLHCPELC-IEBWSBKVSA-N 2 2 340.471 2.378 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568875657 1124901894 /nfs/dbraw/zinc/90/18/94/1124901894.db2.gz LGNLBXMCQMRFRX-WZHGYECESA-N 2 2 342.487 2.288 10 0 EEAELP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]CC[C@H]2CCCO2)c(C)[nH+]1 ZINC001568892059 1124918837 /nfs/dbraw/zinc/91/88/37/1124918837.db2.gz RLFVJMHYMWPSDN-LAQIPUCWSA-N 2 2 331.460 2.452 10 0 EEAELP Cc1cc(C)c(C(=O)NC/C=C\C[NH2+]CC[C@H]2CCCO2)c(C)[nH+]1 ZINC001568892060 1124919501 /nfs/dbraw/zinc/91/95/01/1124919501.db2.gz RLFVJMHYMWPSDN-VGOKWCNXSA-N 2 2 331.460 2.452 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C/C=C\CNC(=O)CCn2cc[nH+]c2)c1 ZINC001568893979 1124921792 /nfs/dbraw/zinc/92/17/92/1124921792.db2.gz IDKIMLCPYSTIAY-IHWYPQMZSA-N 2 2 330.407 2.183 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C)c1ccc(F)cc1 ZINC001569258068 1125200912 /nfs/dbraw/zinc/20/09/12/1125200912.db2.gz PXFZBPIKIKZNAQ-CQSZACIVSA-N 2 2 332.423 2.301 10 0 EEAELP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422739775 240202711 /nfs/dbraw/zinc/20/27/11/240202711.db2.gz LUROGLXAIOGSIC-AABGKKOBSA-N 2 2 329.488 2.008 10 0 EEAELP Fc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCOCC2)cc1 ZINC000422759166 240212476 /nfs/dbraw/zinc/21/24/76/240212476.db2.gz KJBGAASHTQQRLW-OALUTQOASA-N 2 2 348.462 2.231 10 0 EEAELP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422779220 240221626 /nfs/dbraw/zinc/22/16/26/240221626.db2.gz FLIGHXIHKMLUSP-PMACEKPBSA-N 3 2 329.488 2.139 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140440 240380679 /nfs/dbraw/zinc/38/06/79/240380679.db2.gz YGXCJVBIYAUABJ-AQNXPRMDSA-N 3 2 343.515 2.385 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423140440 240380685 /nfs/dbraw/zinc/38/06/85/240380685.db2.gz YGXCJVBIYAUABJ-AQNXPRMDSA-N 3 2 343.515 2.385 10 0 EEAELP Fc1ccc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1Cl ZINC000423157649 240389074 /nfs/dbraw/zinc/38/90/74/240389074.db2.gz MVIHGALGDWFYDB-HZPDHXFCSA-N 2 2 328.815 2.215 10 0 EEAELP Cc1cccc2c(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)coc21 ZINC000424706336 241016494 /nfs/dbraw/zinc/01/64/94/241016494.db2.gz OWRLGGVFGFKULF-UHFFFAOYSA-N 2 2 329.444 2.497 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875890 203295914 /nfs/dbraw/zinc/29/59/14/203295914.db2.gz QIKBGBAJNMIBLH-OAHLLOKOSA-N 2 2 339.443 2.423 10 0 EEAELP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000236990040 204251898 /nfs/dbraw/zinc/25/18/98/204251898.db2.gz DOIJYCFUTRNXFB-MLGOLLRUSA-N 2 2 325.403 2.173 10 0 EEAELP CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000236990040 204251903 /nfs/dbraw/zinc/25/19/03/204251903.db2.gz DOIJYCFUTRNXFB-MLGOLLRUSA-N 2 2 325.403 2.173 10 0 EEAELP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(Br)c1O ZINC000044527774 204301768 /nfs/dbraw/zinc/30/17/68/204301768.db2.gz VFXZFJIKHJPLJD-SNVBAGLBSA-N 2 2 329.238 2.334 10 0 EEAELP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(Br)c1O ZINC000044527774 204301773 /nfs/dbraw/zinc/30/17/73/204301773.db2.gz VFXZFJIKHJPLJD-SNVBAGLBSA-N 2 2 329.238 2.334 10 0 EEAELP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000130589944 205246796 /nfs/dbraw/zinc/24/67/96/205246796.db2.gz BPLRBGZBPVUFLW-OAHLLOKOSA-N 2 2 343.431 2.366 10 0 EEAELP Cc1nc2cc(NC(=O)NCC[NH+]3CCC([NH+](C)C)CC3)ccc2o1 ZINC000158047051 206170132 /nfs/dbraw/zinc/17/01/32/206170132.db2.gz JYUCYCKOCJWJOD-UHFFFAOYSA-N 2 2 345.447 2.284 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000175033510 207086803 /nfs/dbraw/zinc/08/68/03/207086803.db2.gz SMFHCKRCWXYWJU-JKSUJKDBSA-N 2 2 326.444 2.430 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000175033510 207086806 /nfs/dbraw/zinc/08/68/06/207086806.db2.gz SMFHCKRCWXYWJU-JKSUJKDBSA-N 2 2 326.444 2.430 10 0 EEAELP CCC(C)(C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195294643 256009762 /nfs/dbraw/zinc/00/97/62/256009762.db2.gz NUDBMWKHYJCQMC-KRWDZBQOSA-N 2 2 332.492 2.140 10 0 EEAELP CCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195294643 256009764 /nfs/dbraw/zinc/00/97/64/256009764.db2.gz NUDBMWKHYJCQMC-KRWDZBQOSA-N 2 2 332.492 2.140 10 0 EEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195294643 256009766 /nfs/dbraw/zinc/00/97/66/256009766.db2.gz NUDBMWKHYJCQMC-KRWDZBQOSA-N 2 2 332.492 2.140 10 0 EEAELP CCC(C)(C)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195294643 256009768 /nfs/dbraw/zinc/00/97/68/256009768.db2.gz NUDBMWKHYJCQMC-KRWDZBQOSA-N 2 2 332.492 2.140 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267483256 256063292 /nfs/dbraw/zinc/06/32/92/256063292.db2.gz KGLJCRQNCIRKOL-QGZVFWFLSA-N 2 2 345.443 2.175 10 0 EEAELP CCc1cc(N2CC[NH+](C[C@H](O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000272897492 256247483 /nfs/dbraw/zinc/24/74/83/256247483.db2.gz OWMUXYVXICGYIP-SFHVURJKSA-N 2 2 326.444 2.203 10 0 EEAELP C[NH+]1CCC(CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000273281650 256283189 /nfs/dbraw/zinc/28/31/89/256283189.db2.gz QMONCGKJHQLWHI-UHFFFAOYSA-N 2 2 331.460 2.189 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000273068114 256262236 /nfs/dbraw/zinc/26/22/36/256262236.db2.gz ITSIBHASXASBFA-QGZVFWFLSA-N 2 2 329.444 2.314 10 0 EEAELP COCC[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000273068114 256262238 /nfs/dbraw/zinc/26/22/38/256262238.db2.gz ITSIBHASXASBFA-QGZVFWFLSA-N 2 2 329.444 2.314 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[N@H+](CC)C2)c[nH+]1 ZINC000057821156 292147221 /nfs/dbraw/zinc/14/72/21/292147221.db2.gz VZLLDXHTRFRDOP-INIZCTEOSA-N 2 2 333.480 2.211 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[N@@H+](CC)C2)c[nH+]1 ZINC000057821156 292147222 /nfs/dbraw/zinc/14/72/22/292147222.db2.gz VZLLDXHTRFRDOP-INIZCTEOSA-N 2 2 333.480 2.211 10 0 EEAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000173337582 152161423 /nfs/dbraw/zinc/16/14/23/152161423.db2.gz XDWYFGDDZZCWFP-QGZVFWFLSA-N 2 2 344.503 2.252 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccsc1 ZINC000262922702 152339393 /nfs/dbraw/zinc/33/93/93/152339393.db2.gz HANFJJYUDSFWPO-STQMWFEESA-N 2 2 331.432 2.244 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@@H]2CCOC[C@H]2OC)[C@@H]2CCC[NH2+]2)cc1 ZINC000423162603 286375961 /nfs/dbraw/zinc/37/59/61/286375961.db2.gz UFHKTWLXFSULCD-KANFNMMFSA-N 2 2 334.460 2.129 10 0 EEAELP C[C@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000074767044 159069892 /nfs/dbraw/zinc/06/98/92/159069892.db2.gz PYWPGPPEUQPBFK-KRWDZBQOSA-N 2 2 336.524 2.378 10 0 EEAELP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCn2cc[nH+]c21 ZINC000193820807 160187266 /nfs/dbraw/zinc/18/72/66/160187266.db2.gz VJDJXOWFIGOUEJ-QZTJIDSGSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCn2cc[nH+]c21 ZINC000193820807 160187267 /nfs/dbraw/zinc/18/72/67/160187267.db2.gz VJDJXOWFIGOUEJ-QZTJIDSGSA-N 2 2 338.455 2.399 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CCOCC3)s2)[C@@H](C)C1 ZINC000245742597 160250420 /nfs/dbraw/zinc/25/04/20/160250420.db2.gz MCFZSTVUCWKVAT-HOCLYGCPSA-N 2 2 338.521 2.142 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc(N3CCOCC3)s2)[C@@H](C)C1 ZINC000245742597 160250421 /nfs/dbraw/zinc/25/04/21/160250421.db2.gz MCFZSTVUCWKVAT-HOCLYGCPSA-N 2 2 338.521 2.142 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc(N3CCOCC3)s2)[C@@H](C)C1 ZINC000245742597 160250422 /nfs/dbraw/zinc/25/04/22/160250422.db2.gz MCFZSTVUCWKVAT-HOCLYGCPSA-N 2 2 338.521 2.142 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc(N3CCOCC3)s2)[C@@H](C)C1 ZINC000245742597 160250423 /nfs/dbraw/zinc/25/04/23/160250423.db2.gz MCFZSTVUCWKVAT-HOCLYGCPSA-N 2 2 338.521 2.142 10 0 EEAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247293803 160318907 /nfs/dbraw/zinc/31/89/07/160318907.db2.gz FEEWJGOQJVPHNZ-CRAIPNDOSA-N 2 2 342.443 2.091 10 0 EEAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247293803 160318909 /nfs/dbraw/zinc/31/89/09/160318909.db2.gz FEEWJGOQJVPHNZ-CRAIPNDOSA-N 2 2 342.443 2.091 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000248042891 160336738 /nfs/dbraw/zinc/33/67/38/160336738.db2.gz MGFZUORJYQURNX-IEBWSBKVSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@H]1c1ccccc1 ZINC000248042891 160336740 /nfs/dbraw/zinc/33/67/40/160336740.db2.gz MGFZUORJYQURNX-IEBWSBKVSA-N 2 2 347.422 2.443 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1OC ZINC000343598095 161150462 /nfs/dbraw/zinc/15/04/62/161150462.db2.gz UQOZCLWWLCLCDC-FUHWJXTLSA-N 3 2 349.519 2.456 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000343598095 161150463 /nfs/dbraw/zinc/15/04/63/161150463.db2.gz UQOZCLWWLCLCDC-FUHWJXTLSA-N 3 2 349.519 2.456 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)NCc1ccco1 ZINC000344095423 161197962 /nfs/dbraw/zinc/19/79/62/161197962.db2.gz ATTAFAPNDGXBTN-GFCCVEGCSA-N 2 2 330.413 2.321 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](CO)c3ccsc3)c2cc1C ZINC000352032353 162037442 /nfs/dbraw/zinc/03/74/42/162037442.db2.gz LATKYGWPSKWZGR-RDJZCZTQSA-N 2 2 345.468 2.399 10 0 EEAELP O[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000280309153 269349871 /nfs/dbraw/zinc/34/98/71/269349871.db2.gz FZQWGWWQYJBWIV-XHSDSOJGSA-N 2 2 328.378 2.364 10 0 EEAELP O[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000280309153 269349872 /nfs/dbraw/zinc/34/98/72/269349872.db2.gz FZQWGWWQYJBWIV-XHSDSOJGSA-N 2 2 328.378 2.364 10 0 EEAELP O[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000280309153 269349874 /nfs/dbraw/zinc/34/98/74/269349874.db2.gz FZQWGWWQYJBWIV-XHSDSOJGSA-N 2 2 328.378 2.364 10 0 EEAELP O[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000280309153 269349876 /nfs/dbraw/zinc/34/98/76/269349876.db2.gz FZQWGWWQYJBWIV-XHSDSOJGSA-N 2 2 328.378 2.364 10 0 EEAELP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000280826567 269392884 /nfs/dbraw/zinc/39/28/84/269392884.db2.gz JGMWNEYBMBOFLG-WOJBJXKFSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000280826567 269392885 /nfs/dbraw/zinc/39/28/85/269392885.db2.gz JGMWNEYBMBOFLG-WOJBJXKFSA-N 2 2 325.456 2.363 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000289476075 275119465 /nfs/dbraw/zinc/11/94/65/275119465.db2.gz DXQFXWQECZTOMB-GOSISDBHSA-N 2 2 345.422 2.096 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCc2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000289476075 275119467 /nfs/dbraw/zinc/11/94/67/275119467.db2.gz DXQFXWQECZTOMB-GOSISDBHSA-N 2 2 345.422 2.096 10 0 EEAELP COCc1cc(N2CCO[C@@H](C[NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000290674890 275228516 /nfs/dbraw/zinc/22/85/16/275228516.db2.gz ROFQSJHRANCTQO-HNNXBMFYSA-N 2 2 333.407 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292057199 275369262 /nfs/dbraw/zinc/36/92/62/275369262.db2.gz CCNYGVONGVJUCS-TWOQFEAHSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292057199 275369263 /nfs/dbraw/zinc/36/92/63/275369263.db2.gz CCNYGVONGVJUCS-TWOQFEAHSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292057199 275369265 /nfs/dbraw/zinc/36/92/65/275369265.db2.gz CCNYGVONGVJUCS-TWOQFEAHSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292057199 275369266 /nfs/dbraw/zinc/36/92/66/275369266.db2.gz CCNYGVONGVJUCS-TWOQFEAHSA-N 2 2 345.487 2.289 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376319404 279258970 /nfs/dbraw/zinc/25/89/70/279258970.db2.gz DLTUHNDMUHYJCQ-HOTGVXAUSA-N 2 2 333.480 2.307 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000153179060 280188396 /nfs/dbraw/zinc/18/83/96/280188396.db2.gz SZVOOQZELRLABT-NVXWUHKLSA-N 2 2 334.460 2.467 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000329140194 311651372 /nfs/dbraw/zinc/65/13/72/311651372.db2.gz JHSBGMBTBTUDKE-UHFFFAOYSA-N 2 2 339.443 2.215 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000333978941 312223117 /nfs/dbraw/zinc/22/31/17/312223117.db2.gz ZZWNTPNSIOFEOZ-DOTOQJQBSA-N 2 2 332.835 2.407 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000333978941 312223119 /nfs/dbraw/zinc/22/31/19/312223119.db2.gz ZZWNTPNSIOFEOZ-DOTOQJQBSA-N 2 2 332.835 2.407 10 0 EEAELP C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000425217596 314359385 /nfs/dbraw/zinc/35/93/85/314359385.db2.gz OSJRJBNCJGYQTP-DLBZAZTESA-N 2 2 326.444 2.484 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCCCn1cc[nH+]c1)C2 ZINC000527245916 317172730 /nfs/dbraw/zinc/17/27/30/317172730.db2.gz WACBPHVPUYJQPJ-CQSZACIVSA-N 2 2 329.448 2.431 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCCCn1cc[nH+]c1)CC2 ZINC000527245916 317172734 /nfs/dbraw/zinc/17/27/34/317172734.db2.gz WACBPHVPUYJQPJ-CQSZACIVSA-N 2 2 329.448 2.431 10 0 EEAELP CCOc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c(F)cc1OC ZINC000527724033 317252776 /nfs/dbraw/zinc/25/27/76/317252776.db2.gz JPOAUBRVHAMDEW-UHFFFAOYSA-N 2 2 340.439 2.169 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000528436174 317385414 /nfs/dbraw/zinc/38/54/14/317385414.db2.gz LDMBIJSFNOSCRN-HNNXBMFYSA-N 2 2 328.416 2.223 10 0 EEAELP COCC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000565891743 319224453 /nfs/dbraw/zinc/22/44/53/319224453.db2.gz CJKDMLWCRRKIHY-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP COCC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000565891743 319224456 /nfs/dbraw/zinc/22/44/56/319224456.db2.gz CJKDMLWCRRKIHY-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP COCC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565891743 319224458 /nfs/dbraw/zinc/22/44/58/319224458.db2.gz CJKDMLWCRRKIHY-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP COCC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565891743 319224461 /nfs/dbraw/zinc/22/44/61/319224461.db2.gz CJKDMLWCRRKIHY-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP COCCN(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565891743 319224464 /nfs/dbraw/zinc/22/44/64/319224464.db2.gz CJKDMLWCRRKIHY-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP COCCN(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565891743 319224465 /nfs/dbraw/zinc/22/44/65/319224465.db2.gz CJKDMLWCRRKIHY-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000567030804 319341711 /nfs/dbraw/zinc/34/17/11/319341711.db2.gz DPYAPPKFEVSANS-SJLPKXTDSA-N 2 2 341.459 2.292 10 0 EEAELP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000567123916 319350986 /nfs/dbraw/zinc/35/09/86/319350986.db2.gz VMEHTSJJDYOMPF-ASFAAARLSA-N 2 2 333.451 2.076 10 0 EEAELP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000567123916 319350987 /nfs/dbraw/zinc/35/09/87/319350987.db2.gz VMEHTSJJDYOMPF-ASFAAARLSA-N 2 2 333.451 2.076 10 0 EEAELP C[NH2+][C@H]1CCN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000574668258 320046473 /nfs/dbraw/zinc/04/64/73/320046473.db2.gz LUZQHLVFXPAATI-FUHWJXTLSA-N 2 2 341.459 2.245 10 0 EEAELP O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574754442 320054088 /nfs/dbraw/zinc/05/40/88/320054088.db2.gz DCYQFOQKHRKKLC-QZTJIDSGSA-N 2 2 348.512 2.350 10 0 EEAELP O=S1(=O)CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574754442 320054091 /nfs/dbraw/zinc/05/40/91/320054091.db2.gz DCYQFOQKHRKKLC-QZTJIDSGSA-N 2 2 348.512 2.350 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)CC(F)(F)C[NH3+])c1ccc(Cl)cc1 ZINC000575324958 320101005 /nfs/dbraw/zinc/10/10/05/320101005.db2.gz DPFAKQOCVMQVIF-CYBMUJFWSA-N 2 2 342.777 2.263 10 0 EEAELP CCC[C@H](C(=O)N1CCC[N@H+](Cc2cnn(CCC)c2)CC1)[NH+](C)C ZINC000153009567 462605325 /nfs/dbraw/zinc/60/53/25/462605325.db2.gz PNNLTAQGDVMBBP-GOSISDBHSA-N 2 2 349.523 2.058 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000358293700 465041964 /nfs/dbraw/zinc/04/19/64/465041964.db2.gz AVESZNMGCHDDSY-UMGGQSCQSA-N 2 2 345.487 2.220 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000358293700 465041965 /nfs/dbraw/zinc/04/19/65/465041965.db2.gz AVESZNMGCHDDSY-UMGGQSCQSA-N 2 2 345.487 2.220 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000339432541 465269816 /nfs/dbraw/zinc/26/98/16/465269816.db2.gz AZTBWVCWDWIOGP-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000339432541 465269823 /nfs/dbraw/zinc/26/98/23/465269823.db2.gz AZTBWVCWDWIOGP-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000339432541 465269828 /nfs/dbraw/zinc/26/98/28/465269828.db2.gz AZTBWVCWDWIOGP-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000339432541 465269837 /nfs/dbraw/zinc/26/98/37/465269837.db2.gz AZTBWVCWDWIOGP-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP CCN(CCOC)c1cccc(CN(C)CC2([NH+](C)C)CCC2)[nH+]1 ZINC000351654405 465274651 /nfs/dbraw/zinc/27/46/51/465274651.db2.gz ZFAZRVUSQTVSPI-UHFFFAOYSA-N 2 2 334.508 2.470 10 0 EEAELP CCN(CCOC)c1cccc(CN2C[C@@H](C)[N@H+](CC)C[C@H]2C)[nH+]1 ZINC000351712221 465310224 /nfs/dbraw/zinc/31/02/24/465310224.db2.gz NUWAVFWUTNOOKZ-IAGOWNOFSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(CN2C[C@@H](C)[N@@H+](CC)C[C@H]2C)[nH+]1 ZINC000351712221 465310232 /nfs/dbraw/zinc/31/02/32/465310232.db2.gz NUWAVFWUTNOOKZ-IAGOWNOFSA-N 2 2 334.508 2.469 10 0 EEAELP CC(C)C[NH+]1CCC(NC(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000045463190 462589092 /nfs/dbraw/zinc/58/90/92/462589092.db2.gz YFGFIEGPYDORBY-UHFFFAOYSA-N 2 2 333.480 2.067 10 0 EEAELP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)n1 ZINC000154134549 462734280 /nfs/dbraw/zinc/73/42/80/462734280.db2.gz KHSDAMYAADDBIB-JWTNVVGKSA-N 2 2 342.487 2.081 10 0 EEAELP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)n1 ZINC000154134549 462734286 /nfs/dbraw/zinc/73/42/86/462734286.db2.gz KHSDAMYAADDBIB-JWTNVVGKSA-N 2 2 342.487 2.081 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000130792808 462777293 /nfs/dbraw/zinc/77/72/93/462777293.db2.gz XGHQFJQXGOESLG-KRWDZBQOSA-N 2 2 328.460 2.328 10 0 EEAELP C[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000119374029 462895059 /nfs/dbraw/zinc/89/50/59/462895059.db2.gz BQSWFEBLEJKHGL-CQSZACIVSA-N 2 2 344.463 2.043 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000521663792 468328143 /nfs/dbraw/zinc/32/81/43/468328143.db2.gz KEBYZXDBEYGKGE-IXDOHACOSA-N 2 2 347.507 2.360 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000521663792 468328145 /nfs/dbraw/zinc/32/81/45/468328145.db2.gz KEBYZXDBEYGKGE-IXDOHACOSA-N 2 2 347.507 2.360 10 0 EEAELP CN(C)c1nc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000077487117 462993198 /nfs/dbraw/zinc/99/31/98/462993198.db2.gz MPIVNHISXUZWGQ-UHFFFAOYSA-N 2 2 329.423 2.394 10 0 EEAELP CN(C)c1nc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc[nH+]1 ZINC000077487117 462993204 /nfs/dbraw/zinc/99/32/04/462993204.db2.gz MPIVNHISXUZWGQ-UHFFFAOYSA-N 2 2 329.423 2.394 10 0 EEAELP Cc1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000050797022 463010251 /nfs/dbraw/zinc/01/02/51/463010251.db2.gz IBPRHJNEZGFBHD-UHFFFAOYSA-N 2 2 335.517 2.274 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000157219439 463109214 /nfs/dbraw/zinc/10/92/14/463109214.db2.gz VDYHHMAFNYAUSZ-GBESFXJTSA-N 2 2 349.519 2.107 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000157219439 463109216 /nfs/dbraw/zinc/10/92/16/463109216.db2.gz VDYHHMAFNYAUSZ-GBESFXJTSA-N 2 2 349.519 2.107 10 0 EEAELP Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000122811214 463294503 /nfs/dbraw/zinc/29/45/03/463294503.db2.gz KRAIXZRDIINMBU-LJQANCHMSA-N 2 2 344.503 2.035 10 0 EEAELP Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000122811214 463294506 /nfs/dbraw/zinc/29/45/06/463294506.db2.gz KRAIXZRDIINMBU-LJQANCHMSA-N 2 2 344.503 2.035 10 0 EEAELP Cc1cccc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000123382836 463338002 /nfs/dbraw/zinc/33/80/02/463338002.db2.gz FGYUCHUTGRPUGM-SJPCQFCGSA-N 2 2 343.475 2.165 10 0 EEAELP Cc1cccc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000123382836 463338005 /nfs/dbraw/zinc/33/80/05/463338005.db2.gz FGYUCHUTGRPUGM-SJPCQFCGSA-N 2 2 343.475 2.165 10 0 EEAELP CC1CCC(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123788395 463368839 /nfs/dbraw/zinc/36/88/39/463368839.db2.gz ZQAXRFGINUOSPF-CGZBRXJRSA-N 2 2 332.492 2.370 10 0 EEAELP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123788395 463368843 /nfs/dbraw/zinc/36/88/43/463368843.db2.gz ZQAXRFGINUOSPF-CGZBRXJRSA-N 2 2 332.492 2.370 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000590865954 468360655 /nfs/dbraw/zinc/36/06/55/468360655.db2.gz ROBNVPHXHRICDA-QGZVFWFLSA-N 2 2 333.480 2.352 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000151113343 463478102 /nfs/dbraw/zinc/47/81/02/463478102.db2.gz GSAIRPNFHDTAEN-STQMWFEESA-N 2 2 344.381 2.191 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000151113343 463478106 /nfs/dbraw/zinc/47/81/06/463478106.db2.gz GSAIRPNFHDTAEN-STQMWFEESA-N 2 2 344.381 2.191 10 0 EEAELP CN(C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000105875698 463485118 /nfs/dbraw/zinc/48/51/18/463485118.db2.gz YRRNDLYAOSPKSD-UHFFFAOYSA-N 2 2 326.444 2.338 10 0 EEAELP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000072274098 463492216 /nfs/dbraw/zinc/49/22/16/463492216.db2.gz YNWSMZYHQSCXNK-SJLPKXTDSA-N 2 2 326.444 2.397 10 0 EEAELP Cc1[nH+]c2cc3c(cc2n1C[C@H](O)C[NH+]1CCC(C)CC1)OCCO3 ZINC000058438947 463600172 /nfs/dbraw/zinc/60/01/72/463600172.db2.gz PQZYPZMRNVWHRE-OAHLLOKOSA-N 2 2 345.443 2.209 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000152390436 463684458 /nfs/dbraw/zinc/68/44/58/463684458.db2.gz QQJNEPPDRYNPEW-QGZVFWFLSA-N 2 2 333.480 2.350 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000152390436 463684462 /nfs/dbraw/zinc/68/44/62/463684462.db2.gz QQJNEPPDRYNPEW-QGZVFWFLSA-N 2 2 333.480 2.350 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000568659782 468370821 /nfs/dbraw/zinc/37/08/21/468370821.db2.gz JSKGKWLMOPBPIX-QZWWFDLISA-N 2 2 340.508 2.274 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000568659782 468370825 /nfs/dbraw/zinc/37/08/25/468370825.db2.gz JSKGKWLMOPBPIX-QZWWFDLISA-N 2 2 340.508 2.274 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000568659782 468370828 /nfs/dbraw/zinc/37/08/28/468370828.db2.gz JSKGKWLMOPBPIX-QZWWFDLISA-N 2 2 340.508 2.274 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000568659782 468370833 /nfs/dbraw/zinc/37/08/33/468370833.db2.gz JSKGKWLMOPBPIX-QZWWFDLISA-N 2 2 340.508 2.274 10 0 EEAELP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000185254365 463788294 /nfs/dbraw/zinc/78/82/94/463788294.db2.gz VIRRHAYFLLECPH-UHFFFAOYSA-N 2 2 338.455 2.252 10 0 EEAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000261641598 463813376 /nfs/dbraw/zinc/81/33/76/463813376.db2.gz CQMLEPJXBFATER-IAGOWNOFSA-N 2 2 330.476 2.453 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000269029852 463849562 /nfs/dbraw/zinc/84/95/62/463849562.db2.gz RYHVAICBLUKWPJ-SVFBPWRDSA-N 3 2 345.531 2.455 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000269029852 463849568 /nfs/dbraw/zinc/84/95/68/463849568.db2.gz RYHVAICBLUKWPJ-SVFBPWRDSA-N 3 2 345.531 2.455 10 0 EEAELP Cc1csc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000178428194 463898780 /nfs/dbraw/zinc/89/87/80/463898780.db2.gz GFKMWQAFTNQUMU-CYBMUJFWSA-N 2 2 333.461 2.078 10 0 EEAELP Cc1csc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000178428194 463898783 /nfs/dbraw/zinc/89/87/83/463898783.db2.gz GFKMWQAFTNQUMU-CYBMUJFWSA-N 2 2 333.461 2.078 10 0 EEAELP Cc1nc(N2CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000287767135 463992719 /nfs/dbraw/zinc/99/27/19/463992719.db2.gz MORCIMYTIVHINP-QGZVFWFLSA-N 2 2 346.862 2.164 10 0 EEAELP CC1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195272962 464028633 /nfs/dbraw/zinc/02/86/33/464028633.db2.gz CARXUZPRBPXFCB-LJQANCHMSA-N 2 2 344.503 2.094 10 0 EEAELP CC1CCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195272962 464028637 /nfs/dbraw/zinc/02/86/37/464028637.db2.gz CARXUZPRBPXFCB-LJQANCHMSA-N 2 2 344.503 2.094 10 0 EEAELP CC1CCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195272962 464028646 /nfs/dbraw/zinc/02/86/46/464028646.db2.gz CARXUZPRBPXFCB-LJQANCHMSA-N 2 2 344.503 2.094 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292245292 464170906 /nfs/dbraw/zinc/17/09/06/464170906.db2.gz XCYWSGGRSWRIPJ-LJQANCHMSA-N 2 2 333.451 2.202 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292245292 464170911 /nfs/dbraw/zinc/17/09/11/464170911.db2.gz XCYWSGGRSWRIPJ-LJQANCHMSA-N 2 2 333.451 2.202 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292245292 464170918 /nfs/dbraw/zinc/17/09/18/464170918.db2.gz XCYWSGGRSWRIPJ-LJQANCHMSA-N 2 2 333.451 2.202 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292245292 464170927 /nfs/dbraw/zinc/17/09/27/464170927.db2.gz XCYWSGGRSWRIPJ-LJQANCHMSA-N 2 2 333.451 2.202 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000172990757 464174118 /nfs/dbraw/zinc/17/41/18/464174118.db2.gz ZLLVGMIMFZWHID-ZBFHGGJFSA-N 2 2 327.432 2.070 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@H](C)C1 ZINC000172990757 464174121 /nfs/dbraw/zinc/17/41/21/464174121.db2.gz ZLLVGMIMFZWHID-ZBFHGGJFSA-N 2 2 327.432 2.070 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292274601 464182276 /nfs/dbraw/zinc/18/22/76/464182276.db2.gz ZZQCZEPWHMKPNT-QINHECLXSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292274601 464182282 /nfs/dbraw/zinc/18/22/82/464182282.db2.gz ZZQCZEPWHMKPNT-QINHECLXSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292274601 464182285 /nfs/dbraw/zinc/18/22/85/464182285.db2.gz ZZQCZEPWHMKPNT-QINHECLXSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292274601 464182291 /nfs/dbraw/zinc/18/22/91/464182291.db2.gz ZZQCZEPWHMKPNT-QINHECLXSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H]([NH2+]CC(=O)NC(=O)NC(C)(C)C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180648036 464359410 /nfs/dbraw/zinc/35/94/10/464359410.db2.gz AEOUDRPOUQWIBR-ZDUSSCGKSA-N 2 2 343.431 2.147 10 0 EEAELP C[N@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[C@H](O)CC1 ZINC000285438683 464564078 /nfs/dbraw/zinc/56/40/78/464564078.db2.gz XCHSOKQQGNJDRH-KESTWPANSA-N 2 2 331.504 2.434 10 0 EEAELP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[C@H](O)CC1 ZINC000285438683 464564084 /nfs/dbraw/zinc/56/40/84/464564084.db2.gz XCHSOKQQGNJDRH-KESTWPANSA-N 2 2 331.504 2.434 10 0 EEAELP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182210775 464599842 /nfs/dbraw/zinc/59/98/42/464599842.db2.gz FKFZPKZNWNBYPY-SFHVURJKSA-N 2 2 345.487 2.075 10 0 EEAELP COC(=O)c1ccccc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182210775 464599849 /nfs/dbraw/zinc/59/98/49/464599849.db2.gz FKFZPKZNWNBYPY-SFHVURJKSA-N 2 2 345.487 2.075 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272437553 464608271 /nfs/dbraw/zinc/60/82/71/464608271.db2.gz SFDNCJYJOOBLMS-YSTOQKLRSA-N 2 2 340.471 2.239 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272437553 464608277 /nfs/dbraw/zinc/60/82/77/464608277.db2.gz SFDNCJYJOOBLMS-YSTOQKLRSA-N 2 2 340.471 2.239 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000176321197 464748461 /nfs/dbraw/zinc/74/84/61/464748461.db2.gz NBWHGYRIIYESRC-MRXNPFEDSA-N 2 2 344.463 2.418 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000177428671 465012889 /nfs/dbraw/zinc/01/28/89/465012889.db2.gz OKEPXLXYOKRFHB-KRWDZBQOSA-N 2 2 341.459 2.498 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000177428671 465012891 /nfs/dbraw/zinc/01/28/91/465012891.db2.gz OKEPXLXYOKRFHB-KRWDZBQOSA-N 2 2 341.459 2.498 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175176 465815369 /nfs/dbraw/zinc/81/53/69/465815369.db2.gz LUDCDKKLLSFOEE-RVKKMQEKSA-N 3 2 334.483 2.178 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175176 465815373 /nfs/dbraw/zinc/81/53/73/465815373.db2.gz LUDCDKKLLSFOEE-RVKKMQEKSA-N 3 2 334.483 2.178 10 0 EEAELP CNC(=O)CCOC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346182285 465970366 /nfs/dbraw/zinc/97/03/66/465970366.db2.gz TZZBENDUDFTVDU-UHFFFAOYSA-N 2 2 348.472 2.051 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCCO)Cc1ccccn1 ZINC000349313059 466061215 /nfs/dbraw/zinc/06/12/15/466061215.db2.gz GNHKJDCUHPMWGO-UHFFFAOYSA-N 2 2 337.427 2.355 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCCO)Cc1ccccn1 ZINC000349313059 466061221 /nfs/dbraw/zinc/06/12/21/466061221.db2.gz GNHKJDCUHPMWGO-UHFFFAOYSA-N 2 2 337.427 2.355 10 0 EEAELP CC[C@H](C[NH2+][C@@H](CC)Cn1cncn1)[N@@H+]1CCc2ccccc2C1 ZINC000340477856 466113635 /nfs/dbraw/zinc/11/36/35/466113635.db2.gz YJUXABYZGZBNAF-RBUKOAKNSA-N 2 2 327.476 2.483 10 0 EEAELP CC[C@H](C[NH2+][C@@H](CC)Cn1cncn1)[N@H+]1CCc2ccccc2C1 ZINC000340477856 466113641 /nfs/dbraw/zinc/11/36/41/466113641.db2.gz YJUXABYZGZBNAF-RBUKOAKNSA-N 2 2 327.476 2.483 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000367620961 466453665 /nfs/dbraw/zinc/45/36/65/466453665.db2.gz ZFYRYHCICNYDAA-BZSNNMDCSA-N 2 2 336.501 2.194 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000367620961 466453671 /nfs/dbraw/zinc/45/36/71/466453671.db2.gz ZFYRYHCICNYDAA-BZSNNMDCSA-N 2 2 336.501 2.194 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000332692780 466552731 /nfs/dbraw/zinc/55/27/31/466552731.db2.gz VAIORSHELGWQPJ-BBWFWOEESA-N 2 2 345.491 2.337 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000332692780 466552740 /nfs/dbraw/zinc/55/27/40/466552740.db2.gz VAIORSHELGWQPJ-BBWFWOEESA-N 2 2 345.491 2.337 10 0 EEAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000358234884 466562038 /nfs/dbraw/zinc/56/20/38/466562038.db2.gz XEHNKNZRXRXGBG-HNNXBMFYSA-N 2 2 337.489 2.361 10 0 EEAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000358234884 466562047 /nfs/dbraw/zinc/56/20/47/466562047.db2.gz XEHNKNZRXRXGBG-HNNXBMFYSA-N 2 2 337.489 2.361 10 0 EEAELP Cc1csc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc(=O)n12 ZINC000321118110 466617143 /nfs/dbraw/zinc/61/71/43/466617143.db2.gz CCONOZRLHVMIEU-HIFRSBDPSA-N 2 2 332.473 2.028 10 0 EEAELP Cc1csc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc(=O)n12 ZINC000321118110 466617149 /nfs/dbraw/zinc/61/71/49/466617149.db2.gz CCONOZRLHVMIEU-HIFRSBDPSA-N 2 2 332.473 2.028 10 0 EEAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000341154204 466622581 /nfs/dbraw/zinc/62/25/81/466622581.db2.gz FAEGUKNIYQQNMI-GFCCVEGCSA-N 2 2 347.385 2.071 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000423407661 466742263 /nfs/dbraw/zinc/74/22/63/466742263.db2.gz WGGBHSCYPJGDTA-BVPBIZIASA-N 2 2 337.895 2.299 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000423407661 466742268 /nfs/dbraw/zinc/74/22/68/466742268.db2.gz WGGBHSCYPJGDTA-BVPBIZIASA-N 2 2 337.895 2.299 10 0 EEAELP C[C@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967983 471238774 /nfs/dbraw/zinc/23/87/74/471238774.db2.gz KNKCOFWKQMJOLM-TZMCWYRMSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967983 471238775 /nfs/dbraw/zinc/23/87/75/471238775.db2.gz KNKCOFWKQMJOLM-TZMCWYRMSA-N 2 2 335.414 2.202 10 0 EEAELP CCC([NH3+])(CC)CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417066031 466769197 /nfs/dbraw/zinc/76/91/97/466769197.db2.gz HCUYBYAINQZQEL-UHFFFAOYSA-N 2 2 329.448 2.248 10 0 EEAELP C[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[N@H+](C)Cc1ccccc1 ZINC000377332143 467054713 /nfs/dbraw/zinc/05/47/13/467054713.db2.gz VORDTXDDMJKLDU-GOEBONIOSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000377332143 467054717 /nfs/dbraw/zinc/05/47/17/467054717.db2.gz VORDTXDDMJKLDU-GOEBONIOSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000377332143 467054721 /nfs/dbraw/zinc/05/47/21/467054721.db2.gz VORDTXDDMJKLDU-GOEBONIOSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000377332143 467054724 /nfs/dbraw/zinc/05/47/24/467054724.db2.gz VORDTXDDMJKLDU-GOEBONIOSA-N 2 2 341.459 2.087 10 0 EEAELP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418398026 467105197 /nfs/dbraw/zinc/10/51/97/467105197.db2.gz DRIAQQYUXYMKDO-ZBFHGGJFSA-N 2 2 333.480 2.092 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000378273820 467249824 /nfs/dbraw/zinc/24/98/24/467249824.db2.gz QXEZGDDPWAZHJX-CQSZACIVSA-N 2 2 329.435 2.097 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3CCC(F)(F)CC3)C2)CC1 ZINC000378273820 467249828 /nfs/dbraw/zinc/24/98/28/467249828.db2.gz QXEZGDDPWAZHJX-CQSZACIVSA-N 2 2 329.435 2.097 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc2O1 ZINC000429125228 467302261 /nfs/dbraw/zinc/30/22/61/467302261.db2.gz YGMKVRQGHZVLNR-OAHLLOKOSA-N 2 2 343.471 2.013 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc2O1 ZINC000429125228 467302264 /nfs/dbraw/zinc/30/22/64/467302264.db2.gz YGMKVRQGHZVLNR-OAHLLOKOSA-N 2 2 343.471 2.013 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000420351486 467374281 /nfs/dbraw/zinc/37/42/81/467374281.db2.gz KGGJYFLHMAFKJC-GWCFXTLKSA-N 2 2 326.238 2.199 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000420351486 467374278 /nfs/dbraw/zinc/37/42/78/467374278.db2.gz KGGJYFLHMAFKJC-GWCFXTLKSA-N 2 2 326.238 2.199 10 0 EEAELP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000453267674 467474161 /nfs/dbraw/zinc/47/41/61/467474161.db2.gz PNRSXYHYVQONCF-TZMCWYRMSA-N 2 2 327.856 2.241 10 0 EEAELP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000453267674 467474164 /nfs/dbraw/zinc/47/41/64/467474164.db2.gz PNRSXYHYVQONCF-TZMCWYRMSA-N 2 2 327.856 2.241 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000449396538 467638321 /nfs/dbraw/zinc/63/83/21/467638321.db2.gz SEMTYRKQCLFGJC-QUCCMNQESA-N 2 2 348.487 2.181 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000449396538 467638322 /nfs/dbraw/zinc/63/83/22/467638322.db2.gz SEMTYRKQCLFGJC-QUCCMNQESA-N 2 2 348.487 2.181 10 0 EEAELP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000530240116 467967068 /nfs/dbraw/zinc/96/70/68/467967068.db2.gz KSSDJJRKJSKORT-MRXNPFEDSA-N 2 2 334.464 2.318 10 0 EEAELP Cc1cccc(CN(CC[NH+](C)C)c2nc(C)[nH+]c(N(C)C)n2)c1 ZINC000490086890 468194866 /nfs/dbraw/zinc/19/48/66/468194866.db2.gz HEEVSHPJFNWFMO-UHFFFAOYSA-N 2 2 328.464 2.123 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000569787955 468542607 /nfs/dbraw/zinc/54/26/07/468542607.db2.gz VVRCJNDLOKIMDF-CQSZACIVSA-N 2 2 347.488 2.113 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000594616521 468638318 /nfs/dbraw/zinc/63/83/18/468638318.db2.gz VUEJAWYQVASZGL-KRWDZBQOSA-N 2 2 338.492 2.485 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1 ZINC000558656132 468699842 /nfs/dbraw/zinc/69/98/42/468699842.db2.gz XBHMHORWWXRPRV-DYVFJYSZSA-N 2 2 330.407 2.107 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1 ZINC000558656132 468699844 /nfs/dbraw/zinc/69/98/44/468699844.db2.gz XBHMHORWWXRPRV-DYVFJYSZSA-N 2 2 330.407 2.107 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1 ZINC000558656134 468699948 /nfs/dbraw/zinc/69/99/48/468699948.db2.gz XBHMHORWWXRPRV-SUMWQHHRSA-N 2 2 330.407 2.107 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1 ZINC000558656134 468699951 /nfs/dbraw/zinc/69/99/51/468699951.db2.gz XBHMHORWWXRPRV-SUMWQHHRSA-N 2 2 330.407 2.107 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000594937261 468726803 /nfs/dbraw/zinc/72/68/03/468726803.db2.gz HHCVALHXGWGHKM-NXWXRZEISA-N 2 2 346.471 2.065 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000594937261 468726807 /nfs/dbraw/zinc/72/68/07/468726807.db2.gz HHCVALHXGWGHKM-NXWXRZEISA-N 2 2 346.471 2.065 10 0 EEAELP c1cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)ccc1C[NH+]1CCOCC1 ZINC000572479733 468939275 /nfs/dbraw/zinc/93/92/75/468939275.db2.gz GVBLPTAZEQMFGP-LJQANCHMSA-N 2 2 348.512 2.227 10 0 EEAELP c1cc(C[N@H+]2CCO[C@]3(CCSC3)C2)ccc1C[NH+]1CCOCC1 ZINC000572479733 468939279 /nfs/dbraw/zinc/93/92/79/468939279.db2.gz GVBLPTAZEQMFGP-LJQANCHMSA-N 2 2 348.512 2.227 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(c4ccc(F)cc4)CC3)C2)CC1 ZINC000602195136 469236205 /nfs/dbraw/zinc/23/62/05/469236205.db2.gz LGIDHXYYGQHOJN-QGZVFWFLSA-N 2 2 345.462 2.142 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(c4ccc(F)cc4)CC3)C2)CC1 ZINC000602195136 469236210 /nfs/dbraw/zinc/23/62/10/469236210.db2.gz LGIDHXYYGQHOJN-QGZVFWFLSA-N 2 2 345.462 2.142 10 0 EEAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000611841753 469332828 /nfs/dbraw/zinc/33/28/28/469332828.db2.gz HQXUPOGTKMGSKK-CQSZACIVSA-N 2 2 330.476 2.428 10 0 EEAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000611841753 469332830 /nfs/dbraw/zinc/33/28/30/469332830.db2.gz HQXUPOGTKMGSKK-CQSZACIVSA-N 2 2 330.476 2.428 10 0 EEAELP FC(F)(F)Cn1ccnc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000603517271 469406243 /nfs/dbraw/zinc/40/62/43/469406243.db2.gz MGLCMIUHBLWMAQ-AWEZNQCLSA-N 2 2 346.397 2.178 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCC[N@@H+](C)C3)cn2c1 ZINC000604267987 469467349 /nfs/dbraw/zinc/46/73/49/469467349.db2.gz ORSHSJLEHQYKOK-AWEZNQCLSA-N 2 2 332.473 2.086 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCC[N@H+](C)C3)cn2c1 ZINC000604267987 469467351 /nfs/dbraw/zinc/46/73/51/469467351.db2.gz ORSHSJLEHQYKOK-AWEZNQCLSA-N 2 2 332.473 2.086 10 0 EEAELP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000618986363 469488811 /nfs/dbraw/zinc/48/88/11/469488811.db2.gz ZHIXWEWKMJIPHL-OAHLLOKOSA-N 2 2 327.432 2.118 10 0 EEAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629511902 469570010 /nfs/dbraw/zinc/57/00/10/469570010.db2.gz CBQOVABEWBTLNQ-FZMZJTMJSA-N 2 2 326.366 2.487 10 0 EEAELP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000629660590 469601083 /nfs/dbraw/zinc/60/10/83/469601083.db2.gz WFMCSBBQPTXOHC-AEFFLSMTSA-N 3 2 330.520 2.447 10 0 EEAELP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398676 469642823 /nfs/dbraw/zinc/64/28/23/469642823.db2.gz MHWCMHAIPWCLRY-VQTJNVASSA-N 3 2 344.547 2.438 10 0 EEAELP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398676 469642829 /nfs/dbraw/zinc/64/28/29/469642829.db2.gz MHWCMHAIPWCLRY-VQTJNVASSA-N 3 2 344.547 2.438 10 0 EEAELP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623470573 469666912 /nfs/dbraw/zinc/66/69/12/469666912.db2.gz QJROCRDLONTKQZ-VXGBXAGGSA-N 2 2 333.440 2.014 10 0 EEAELP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623470573 469666915 /nfs/dbraw/zinc/66/69/15/469666915.db2.gz QJROCRDLONTKQZ-VXGBXAGGSA-N 2 2 333.440 2.014 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[NH2+]1 ZINC000626926580 469757457 /nfs/dbraw/zinc/75/74/57/469757457.db2.gz BIYZIRISLJBPEQ-WQVCFCJDSA-N 2 2 345.422 2.088 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC000617763711 469795373 /nfs/dbraw/zinc/79/53/73/469795373.db2.gz YDQHLMOGDSMUGT-FQEVSTJZSA-N 2 2 331.504 2.354 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(c2ccccc2)CC1(C)C ZINC000617763711 469795377 /nfs/dbraw/zinc/79/53/77/469795377.db2.gz YDQHLMOGDSMUGT-FQEVSTJZSA-N 2 2 331.504 2.354 10 0 EEAELP CCc1[nH+]c2cc(CNC(=O)N[C@@H]3CC[NH2+][C@H]3C)ccc2n1C1CC1 ZINC000627029865 469795697 /nfs/dbraw/zinc/79/56/97/469795697.db2.gz BMADRLCXBSKNSU-SWLSCSKDSA-N 2 2 341.459 2.483 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000617764045 469795758 /nfs/dbraw/zinc/79/57/58/469795758.db2.gz GZIPJDPENZTIPH-UHFFFAOYSA-N 2 2 342.896 2.496 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000617764045 469795762 /nfs/dbraw/zinc/79/57/62/469795762.db2.gz GZIPJDPENZTIPH-UHFFFAOYSA-N 2 2 342.896 2.496 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000617764124 469795884 /nfs/dbraw/zinc/79/58/84/469795884.db2.gz JZPLGJQUNSATLP-UHFFFAOYSA-N 2 2 335.467 2.319 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CC(c2ccc(F)cc2)C1 ZINC000617764124 469795886 /nfs/dbraw/zinc/79/58/86/469795886.db2.gz JZPLGJQUNSATLP-UHFFFAOYSA-N 2 2 335.467 2.319 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C[NH2+]1 ZINC000627193344 469839657 /nfs/dbraw/zinc/83/96/57/469839657.db2.gz IHOIJBMNJPICLG-CMODXEBXSA-N 2 2 342.487 2.168 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[NH2+]1 ZINC000627204447 469843928 /nfs/dbraw/zinc/84/39/28/469843928.db2.gz DOELMSXNKDESLV-WBVHZDCISA-N 2 2 333.480 2.225 10 0 EEAELP Cc1nc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000631060072 470059803 /nfs/dbraw/zinc/05/98/03/470059803.db2.gz CKJRNWRKZSHRMV-CYBMUJFWSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)nc(N)[nH+]1 ZINC000631060072 470059806 /nfs/dbraw/zinc/05/98/06/470059806.db2.gz CKJRNWRKZSHRMV-CYBMUJFWSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(N)nc(NCc2ccccc2C[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC000631060072 470059807 /nfs/dbraw/zinc/05/98/07/470059807.db2.gz CKJRNWRKZSHRMV-CYBMUJFWSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(N)nc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000631060072 470059810 /nfs/dbraw/zinc/05/98/10/470059810.db2.gz CKJRNWRKZSHRMV-CYBMUJFWSA-N 2 2 326.448 2.171 10 0 EEAELP CCC1([NH+](C)C)CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000631477937 470149092 /nfs/dbraw/zinc/14/90/92/470149092.db2.gz ZOQWYXKKSSJVNE-UHFFFAOYSA-N 2 2 335.521 2.340 10 0 EEAELP CCC1([NH+](C)C)CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000631477937 470149094 /nfs/dbraw/zinc/14/90/94/470149094.db2.gz ZOQWYXKKSSJVNE-UHFFFAOYSA-N 2 2 335.521 2.340 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3coc(C(F)F)c3)C2)CC1 ZINC000625523037 470160039 /nfs/dbraw/zinc/16/00/39/470160039.db2.gz VKKPWFZMVYVTBA-LBPRGKRZSA-N 2 2 327.375 2.116 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3coc(C(F)F)c3)C2)CC1 ZINC000625523037 470160042 /nfs/dbraw/zinc/16/00/42/470160042.db2.gz VKKPWFZMVYVTBA-LBPRGKRZSA-N 2 2 327.375 2.116 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC(C)C)C1CC[NH+](C)CC1)CC2 ZINC000625566561 470164266 /nfs/dbraw/zinc/16/42/66/470164266.db2.gz NEKPQCYGYOQXSD-INIZCTEOSA-N 2 2 332.492 2.333 10 0 EEAELP COc1cc(Br)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000631843452 470187340 /nfs/dbraw/zinc/18/73/40/470187340.db2.gz OELNPAAJXNROQJ-PWSUYJOCSA-N 2 2 343.265 2.493 10 0 EEAELP COc1cc(Br)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000631843452 470187341 /nfs/dbraw/zinc/18/73/41/470187341.db2.gz OELNPAAJXNROQJ-PWSUYJOCSA-N 2 2 343.265 2.493 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887317 470189428 /nfs/dbraw/zinc/18/94/28/470189428.db2.gz MXMOSQOZSDIGDH-JZXOWHBKSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887317 470189429 /nfs/dbraw/zinc/18/94/29/470189429.db2.gz MXMOSQOZSDIGDH-JZXOWHBKSA-N 2 2 345.487 2.289 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@@H]3CC(C)(C)OC3(C)C)c2)CC1 ZINC000634193682 470229752 /nfs/dbraw/zinc/22/97/52/470229752.db2.gz FLOIERJYSRHJDV-HNNXBMFYSA-N 2 2 346.475 2.366 10 0 EEAELP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000634717306 470285299 /nfs/dbraw/zinc/28/52/99/470285299.db2.gz JHOPYNYRGUAEGF-HXUWFJFHSA-N 2 2 325.456 2.425 10 0 EEAELP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000634717306 470285301 /nfs/dbraw/zinc/28/53/01/470285301.db2.gz JHOPYNYRGUAEGF-HXUWFJFHSA-N 2 2 325.456 2.425 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721978 470286452 /nfs/dbraw/zinc/28/64/52/470286452.db2.gz IAZAMEZWVHRZRQ-IOMROCGXSA-N 2 2 340.467 2.335 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721978 470286453 /nfs/dbraw/zinc/28/64/53/470286453.db2.gz IAZAMEZWVHRZRQ-IOMROCGXSA-N 2 2 340.467 2.335 10 0 EEAELP FC(F)[C@H]1CC[N@H+](CCC[NH+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634756728 470297841 /nfs/dbraw/zinc/29/78/41/470297841.db2.gz COSXZWFWCSIBDN-BETUJISGSA-N 2 2 342.377 2.089 10 0 EEAELP FC(F)[C@H]1CC[N@@H+](CCC[NH+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634756728 470297846 /nfs/dbraw/zinc/29/78/46/470297846.db2.gz COSXZWFWCSIBDN-BETUJISGSA-N 2 2 342.377 2.089 10 0 EEAELP FC(F)[C@H]1CC[NH+](CCC[N@@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634756728 470297848 /nfs/dbraw/zinc/29/78/48/470297848.db2.gz COSXZWFWCSIBDN-BETUJISGSA-N 2 2 342.377 2.089 10 0 EEAELP FC(F)[C@H]1CC[NH+](CCC[N@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634756728 470297852 /nfs/dbraw/zinc/29/78/52/470297852.db2.gz COSXZWFWCSIBDN-BETUJISGSA-N 2 2 342.377 2.089 10 0 EEAELP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000645787185 470418128 /nfs/dbraw/zinc/41/81/28/470418128.db2.gz ZNFGDFBTHXCUNM-HZPDHXFCSA-N 2 2 337.414 2.012 10 0 EEAELP O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000645787185 470418135 /nfs/dbraw/zinc/41/81/35/470418135.db2.gz ZNFGDFBTHXCUNM-HZPDHXFCSA-N 2 2 337.414 2.012 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649294212 470532970 /nfs/dbraw/zinc/53/29/70/470532970.db2.gz DPJSKXUYGKFXGE-KFZJALRRSA-N 2 2 333.863 2.296 10 0 EEAELP CC1(OCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C[NH2+]C1 ZINC000649302037 470536708 /nfs/dbraw/zinc/53/67/08/470536708.db2.gz MKWIZLLNGUIWFB-UHFFFAOYSA-N 2 2 340.427 2.203 10 0 EEAELP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000635495960 470617291 /nfs/dbraw/zinc/61/72/91/470617291.db2.gz APXSITJKAGHFEH-IAGOWNOFSA-N 2 2 342.443 2.160 10 0 EEAELP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000635495960 470617294 /nfs/dbraw/zinc/61/72/94/470617294.db2.gz APXSITJKAGHFEH-IAGOWNOFSA-N 2 2 342.443 2.160 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000649560522 470627946 /nfs/dbraw/zinc/62/79/46/470627946.db2.gz PYKNYOVMYHMBOW-GOSISDBHSA-N 2 2 332.492 2.081 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000649560522 470627951 /nfs/dbraw/zinc/62/79/51/470627951.db2.gz PYKNYOVMYHMBOW-GOSISDBHSA-N 2 2 332.492 2.081 10 0 EEAELP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000635997812 470841573 /nfs/dbraw/zinc/84/15/73/470841573.db2.gz JJBLCXAFNVZRCH-CGTJXYLNSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000635997812 470841578 /nfs/dbraw/zinc/84/15/78/470841578.db2.gz JJBLCXAFNVZRCH-CGTJXYLNSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000635997812 470841582 /nfs/dbraw/zinc/84/15/82/470841582.db2.gz JJBLCXAFNVZRCH-CGTJXYLNSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000635997812 470841587 /nfs/dbraw/zinc/84/15/87/470841587.db2.gz JJBLCXAFNVZRCH-CGTJXYLNSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2n(n1)CCCC2 ZINC000647290087 470877395 /nfs/dbraw/zinc/87/73/95/470877395.db2.gz WBWAZODZQQVWFX-HZPDHXFCSA-N 2 2 332.492 2.371 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000647530156 470923411 /nfs/dbraw/zinc/92/34/11/470923411.db2.gz WLOUJYFDWFQHPW-SFTDATJTSA-N 2 2 342.483 2.180 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000647530156 470923414 /nfs/dbraw/zinc/92/34/14/470923414.db2.gz WLOUJYFDWFQHPW-SFTDATJTSA-N 2 2 342.483 2.180 10 0 EEAELP c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000638119379 470973208 /nfs/dbraw/zinc/97/32/08/470973208.db2.gz PXEZAECHUDIIRU-MOPGFXCFSA-N 2 2 329.488 2.167 10 0 EEAELP c1ccc(N2CC[C@@H](C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000638119379 470973211 /nfs/dbraw/zinc/97/32/11/470973211.db2.gz PXEZAECHUDIIRU-MOPGFXCFSA-N 2 2 329.488 2.167 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644573961 470986393 /nfs/dbraw/zinc/98/63/93/470986393.db2.gz DJLXQOHTCWWWGI-GOSISDBHSA-N 2 2 330.476 2.122 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644573961 470986397 /nfs/dbraw/zinc/98/63/97/470986397.db2.gz DJLXQOHTCWWWGI-GOSISDBHSA-N 2 2 330.476 2.122 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899123 471010429 /nfs/dbraw/zinc/01/04/29/471010429.db2.gz AEDDHPUYDOPHBQ-HLLBOEOZSA-N 2 2 335.517 2.259 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899123 471010433 /nfs/dbraw/zinc/01/04/33/471010433.db2.gz AEDDHPUYDOPHBQ-HLLBOEOZSA-N 2 2 335.517 2.259 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647899840 471011426 /nfs/dbraw/zinc/01/14/26/471011426.db2.gz ZYRMKOXGZMCHQU-QAPCUYQASA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647899840 471011428 /nfs/dbraw/zinc/01/14/28/471011428.db2.gz ZYRMKOXGZMCHQU-QAPCUYQASA-N 2 2 344.459 2.048 10 0 EEAELP c1ccc(N2CCC([NH2+]Cc3cc4c(cn3)OCCO4)CC2)[nH+]c1 ZINC000638362954 471057294 /nfs/dbraw/zinc/05/72/94/471057294.db2.gz GZOQAOGSIFMUFT-UHFFFAOYSA-N 2 2 326.400 2.006 10 0 EEAELP C[NH+](C)C1CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)CC1 ZINC000644852933 471065388 /nfs/dbraw/zinc/06/53/88/471065388.db2.gz WTAKGXGMPSVSIH-KRWDZBQOSA-N 2 2 326.444 2.484 10 0 EEAELP NC(=O)CC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)CCCCC1 ZINC000657797572 471234831 /nfs/dbraw/zinc/23/48/31/471234831.db2.gz FVVONFLKWOJPEK-UHFFFAOYSA-N 2 2 344.503 2.462 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000652288190 471267555 /nfs/dbraw/zinc/26/75/55/471267555.db2.gz YQYFPQBNTGBMEH-CRAIPNDOSA-N 2 2 341.459 2.395 10 0 EEAELP CCC[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358041 471278752 /nfs/dbraw/zinc/27/87/52/471278752.db2.gz ZZTZYOJTBIUJHI-JCHJZTRSSA-N 2 2 347.503 2.328 10 0 EEAELP CCC[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358041 471278753 /nfs/dbraw/zinc/27/87/53/471278753.db2.gz ZZTZYOJTBIUJHI-JCHJZTRSSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]1CCCCN1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000655545118 471374507 /nfs/dbraw/zinc/37/45/07/471374507.db2.gz ZLULGGKYFBXURX-HRBLRVMOSA-N 2 2 334.508 2.224 10 0 EEAELP C[C@@H]1CCCCN1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000655545118 471374512 /nfs/dbraw/zinc/37/45/12/471374512.db2.gz ZLULGGKYFBXURX-HRBLRVMOSA-N 2 2 334.508 2.224 10 0 EEAELP CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000663524232 471412022 /nfs/dbraw/zinc/41/20/22/471412022.db2.gz ULWOMLIIORLYKU-SJORKVTESA-N 2 2 341.459 2.245 10 0 EEAELP CCN(C(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000663524232 471412027 /nfs/dbraw/zinc/41/20/27/471412027.db2.gz ULWOMLIIORLYKU-SJORKVTESA-N 2 2 341.459 2.245 10 0 EEAELP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000663683134 471473272 /nfs/dbraw/zinc/47/32/72/471473272.db2.gz YOUUOONNONUYCK-KRWDZBQOSA-N 2 2 345.491 2.176 10 0 EEAELP CCN(C(=O)NC1CCN(c2cccc[nH+]2)CC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663683134 471473275 /nfs/dbraw/zinc/47/32/75/471473275.db2.gz YOUUOONNONUYCK-KRWDZBQOSA-N 2 2 345.491 2.176 10 0 EEAELP CC1([NH3+])CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000666676729 471493371 /nfs/dbraw/zinc/49/33/71/471493371.db2.gz DJFDGUHOFUGNRJ-UHFFFAOYSA-N 2 2 337.493 2.474 10 0 EEAELP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(S(N)(=O)=O)cc1 ZINC000655849315 471502962 /nfs/dbraw/zinc/50/29/62/471502962.db2.gz TWFNGDAQBMLEHP-JQFCIGGWSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(S(N)(=O)=O)cc1 ZINC000655849315 471502966 /nfs/dbraw/zinc/50/29/66/471502966.db2.gz TWFNGDAQBMLEHP-JQFCIGGWSA-N 2 2 337.489 2.002 10 0 EEAELP CCN(C(=O)NCc1cn2c(cccc2C)[nH+]1)[C@H]1CC[N@H+](CC)C1 ZINC000664061864 471625467 /nfs/dbraw/zinc/62/54/67/471625467.db2.gz GTSJQMIAZMDRQA-INIZCTEOSA-N 2 2 329.448 2.268 10 0 EEAELP CCN(C(=O)NCc1cn2c(cccc2C)[nH+]1)[C@H]1CC[N@@H+](CC)C1 ZINC000664061864 471625475 /nfs/dbraw/zinc/62/54/75/471625475.db2.gz GTSJQMIAZMDRQA-INIZCTEOSA-N 2 2 329.448 2.268 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000664143504 471653748 /nfs/dbraw/zinc/65/37/48/471653748.db2.gz YWMZJHYGZIZHEH-LSDHHAIUSA-N 2 2 333.480 2.113 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000664143504 471653755 /nfs/dbraw/zinc/65/37/55/471653755.db2.gz YWMZJHYGZIZHEH-LSDHHAIUSA-N 2 2 333.480 2.113 10 0 EEAELP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667252233 471710529 /nfs/dbraw/zinc/71/05/29/471710529.db2.gz CYJPNJHGIKUZRF-NVXWUHKLSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000653741377 471727670 /nfs/dbraw/zinc/72/76/70/471727670.db2.gz AZFQOIYJKWCZTJ-IUIKQTSFSA-N 2 2 328.416 2.153 10 0 EEAELP CCN1CC[C@@H]([NH2+][C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000656488166 471732559 /nfs/dbraw/zinc/73/25/59/471732559.db2.gz LQJBSSCWJCYSRV-MSOLQXFVSA-N 2 2 326.444 2.452 10 0 EEAELP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cscn1 ZINC000661417513 471750767 /nfs/dbraw/zinc/75/07/67/471750767.db2.gz HBYBOAORJMPOQC-CZUORRHYSA-N 2 2 332.473 2.213 10 0 EEAELP CC1(C)C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccncc1 ZINC000664833931 471874673 /nfs/dbraw/zinc/87/46/73/471874673.db2.gz OUQQCJGCCNFBSJ-IBGZPJMESA-N 2 2 342.487 2.208 10 0 EEAELP CC1(C)C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]1c1ccncc1 ZINC000664833931 471874678 /nfs/dbraw/zinc/87/46/78/471874678.db2.gz OUQQCJGCCNFBSJ-IBGZPJMESA-N 2 2 342.487 2.208 10 0 EEAELP c1cc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000667813971 471917742 /nfs/dbraw/zinc/91/77/42/471917742.db2.gz FDARJGBWCQDIJJ-QUCCMNQESA-N 2 2 346.471 2.055 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(OC(F)F)cc1 ZINC000665179955 471963984 /nfs/dbraw/zinc/96/39/84/471963984.db2.gz IWKFLXKUNVWRPV-UHFFFAOYSA-N 2 2 344.406 2.293 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(OC(F)F)cc1 ZINC000665179955 471963987 /nfs/dbraw/zinc/96/39/87/471963987.db2.gz IWKFLXKUNVWRPV-UHFFFAOYSA-N 2 2 344.406 2.293 10 0 EEAELP C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1[nH+]ccn1C ZINC000662097002 471984833 /nfs/dbraw/zinc/98/48/33/471984833.db2.gz WPEOPBXURLSNMP-AWEZNQCLSA-N 2 2 342.447 2.092 10 0 EEAELP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000665363838 472021314 /nfs/dbraw/zinc/02/13/14/472021314.db2.gz CVTDIZQHOWQYGO-PMPSAXMXSA-N 2 2 333.480 2.348 10 0 EEAELP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000665363838 472021319 /nfs/dbraw/zinc/02/13/19/472021319.db2.gz CVTDIZQHOWQYGO-PMPSAXMXSA-N 2 2 333.480 2.348 10 0 EEAELP CC[N@H+](CCOc1ccc(Br)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000662256336 472044088 /nfs/dbraw/zinc/04/40/88/472044088.db2.gz IHDZKLVHJYYZSH-HNNXBMFYSA-N 2 2 343.265 2.138 10 0 EEAELP CC[N@@H+](CCOc1ccc(Br)cc1)C[C@@H]1C[NH2+]CCO1 ZINC000662256336 472044093 /nfs/dbraw/zinc/04/40/93/472044093.db2.gz IHDZKLVHJYYZSH-HNNXBMFYSA-N 2 2 343.265 2.138 10 0 EEAELP OCCC[N@H+](C[C@@H]1C[NH2+]CCO1)C(c1ccccc1)c1ccccc1 ZINC000662258486 472046309 /nfs/dbraw/zinc/04/63/09/472046309.db2.gz VFIUQLDYZQSGJH-FQEVSTJZSA-N 2 2 340.467 2.449 10 0 EEAELP OCCC[N@@H+](C[C@@H]1C[NH2+]CCO1)C(c1ccccc1)c1ccccc1 ZINC000662258486 472046312 /nfs/dbraw/zinc/04/63/12/472046312.db2.gz VFIUQLDYZQSGJH-FQEVSTJZSA-N 2 2 340.467 2.449 10 0 EEAELP CN(C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000665619387 472114481 /nfs/dbraw/zinc/11/44/81/472114481.db2.gz VVGQZRFULPRDDU-QGZVFWFLSA-N 2 2 343.475 2.060 10 0 EEAELP CN(C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000665619387 472114485 /nfs/dbraw/zinc/11/44/85/472114485.db2.gz VVGQZRFULPRDDU-QGZVFWFLSA-N 2 2 343.475 2.060 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662508641 472133339 /nfs/dbraw/zinc/13/33/39/472133339.db2.gz YLVGPSFKKAQQMN-KKUMJFAQSA-N 2 2 327.831 2.339 10 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/nfs/dbraw/zinc/72/82/59/1186728259.db2.gz GDHDOHMXUVJAIE-BBRMVZONSA-N 2 2 333.436 2.061 10 0 EEAELP COc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001482890834 1187817416 /nfs/dbraw/zinc/81/74/16/1187817416.db2.gz NTUCZHDQURBOGE-LBPRGKRZSA-N 2 2 348.422 2.093 10 0 EEAELP CCN(CC[NH2+]CC1CCOCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482930599 1187852173 /nfs/dbraw/zinc/85/21/73/1187852173.db2.gz KJDOATFIXYWUHV-UHFFFAOYSA-N 2 2 330.432 2.041 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483025902 1188028134 /nfs/dbraw/zinc/02/81/34/1188028134.db2.gz ZXIHUNQEZKBGNE-QGZUEGPWSA-N 2 2 346.475 2.182 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001483026289 1188032125 /nfs/dbraw/zinc/03/21/25/1188032125.db2.gz IFMCRHBSEITEIJ-LHRDXKRPSA-N 2 2 338.455 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]CCc1ccc(Cl)cc1 ZINC001483077796 1188435377 /nfs/dbraw/zinc/43/53/77/1188435377.db2.gz MDSWJPGSXNHIAO-OWOJBTEDSA-N 2 2 332.835 2.110 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001483082365 1188445178 /nfs/dbraw/zinc/44/51/78/1188445178.db2.gz OYXKZVCHLZULMI-LHRDXKRPSA-N 2 2 342.418 2.051 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483144968 1188761309 /nfs/dbraw/zinc/76/13/09/1188761309.db2.gz SWRCXCOJUQFUKC-GDOYXMMASA-N 2 2 338.455 2.253 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001409345815 1189552858 /nfs/dbraw/zinc/55/28/58/1189552858.db2.gz FHWXGHZUPPKSJA-KBPBESRZSA-N 2 2 345.418 2.455 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@@H](C)[NH2+]Cc1ccccc1F ZINC001409346810 1189557374 /nfs/dbraw/zinc/55/73/74/1189557374.db2.gz CDCLSMJSAIDTAX-ZIAGYGMSSA-N 2 2 332.423 2.175 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC001409355445 1189567063 /nfs/dbraw/zinc/56/70/63/1189567063.db2.gz FQVSHMJSIAGEEM-QWRGUYRKSA-N 2 2 338.814 2.428 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001483242114 1190272177 /nfs/dbraw/zinc/27/21/77/1190272177.db2.gz BEOZHKCPFAOGTI-IRXDYDNUSA-N 2 2 340.471 2.357 10 0 EEAELP CC(C)n1ccc(C[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)n1 ZINC001483504156 1190519400 /nfs/dbraw/zinc/51/94/00/1190519400.db2.gz HEHYPNAINCTDNM-UHFFFAOYSA-N 2 2 346.479 2.103 10 0 EEAELP O=C(N[C@H](C[NH2+]CC1CCCC1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001483571711 1190560149 /nfs/dbraw/zinc/56/01/49/1190560149.db2.gz SCTQYVJMGKGDJU-FUHWJXTLSA-N 2 2 330.476 2.120 10 0 EEAELP O=C(N[C@H](C[NH2+]CC[C@H]1CCCO1)C1CC1)c1cccc2[nH+]ccn21 ZINC001483574950 1190564380 /nfs/dbraw/zinc/56/43/80/1190564380.db2.gz JIINSBBYSOQGBV-HZPDHXFCSA-N 2 2 342.443 2.001 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H]2C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)c1 ZINC001486124508 1193688698 /nfs/dbraw/zinc/68/86/98/1193688698.db2.gz QNYRITSSXBVDLE-QFBILLFUSA-N 2 2 340.471 2.472 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1([NH2+][C@H](C)c2cc(F)ccc2F)CC1 ZINC001483752619 1190940245 /nfs/dbraw/zinc/94/02/45/1190940245.db2.gz OUEYRCOPNPMUIQ-CYBMUJFWSA-N 2 2 348.397 2.469 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CCF)C1 ZINC001483803039 1191044472 /nfs/dbraw/zinc/04/44/72/1191044472.db2.gz YSGGWEPZMHYOFK-IAGOWNOFSA-N 2 2 336.455 2.336 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCF)C1 ZINC001483803039 1191044474 /nfs/dbraw/zinc/04/44/74/1191044474.db2.gz YSGGWEPZMHYOFK-IAGOWNOFSA-N 2 2 336.455 2.336 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001483893755 1191112204 /nfs/dbraw/zinc/11/22/04/1191112204.db2.gz CCFAIAIXKWYYNC-AWEZNQCLSA-N 2 2 340.418 2.241 10 0 EEAELP CC1(NC(=O)Cc2c[nH]c[nH+]2)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001483972972 1191137097 /nfs/dbraw/zinc/13/70/97/1191137097.db2.gz PZXPXTPRMBMCFC-OWCLPIDISA-N 2 2 330.476 2.359 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(C[NH2+]CCc2cccs2)C1 ZINC001484123633 1191222805 /nfs/dbraw/zinc/22/28/05/1191222805.db2.gz RPFOQYCHOPGADV-GOSISDBHSA-N 2 2 346.500 2.393 10 0 EEAELP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1CC ZINC001484322214 1191304084 /nfs/dbraw/zinc/30/40/84/1191304084.db2.gz CASRREYOTAUPCR-APWZRJJASA-N 2 2 340.471 2.475 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001484533639 1191401716 /nfs/dbraw/zinc/40/17/16/1191401716.db2.gz RCUWGAUJSUDTQY-KRWDZBQOSA-N 2 2 341.459 2.005 10 0 EEAELP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001484639722 1191454485 /nfs/dbraw/zinc/45/44/85/1191454485.db2.gz BTXLWINRNMRIKD-MJSXRHKHSA-N 2 2 330.476 2.430 10 0 EEAELP CC[C@H](C)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001484681788 1191469734 /nfs/dbraw/zinc/46/97/34/1191469734.db2.gz ZKGHZKWTKURYCP-ZFWWWQNUSA-N 2 2 330.432 2.040 10 0 EEAELP CC1([NH2+]C/C=C\Cl)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484919929 1191575528 /nfs/dbraw/zinc/57/55/28/1191575528.db2.gz RWZXLWLPTCGADH-JTZYOFSOSA-N 2 2 336.867 2.169 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C)cs1 ZINC001484988175 1191604396 /nfs/dbraw/zinc/60/43/96/1191604396.db2.gz QWKLEBWSKOLWJM-ZFWWWQNUSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)cs1 ZINC001484988175 1191604397 /nfs/dbraw/zinc/60/43/97/1191604397.db2.gz QWKLEBWSKOLWJM-ZFWWWQNUSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)cs1 ZINC001484988175 1191604398 /nfs/dbraw/zinc/60/43/98/1191604398.db2.gz QWKLEBWSKOLWJM-ZFWWWQNUSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc2cccnc2C)c[nH+]1 ZINC001485163326 1191675128 /nfs/dbraw/zinc/67/51/28/1191675128.db2.gz OISSRCYTRSZAOD-CABCVRRESA-N 2 2 343.475 2.313 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC2)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485200087 1191683360 /nfs/dbraw/zinc/68/33/60/1191683360.db2.gz HYMCPZVJJCLAOM-KGLIPLIRSA-N 2 2 326.444 2.124 10 0 EEAELP COCCCC[NH+]1CC([C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001485511668 1191815469 /nfs/dbraw/zinc/81/54/69/1191815469.db2.gz KPEPYOAJGZHFFP-CYBMUJFWSA-N 2 2 330.432 2.040 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ns2)[C@H]1C ZINC001486185744 1193726432 /nfs/dbraw/zinc/72/64/32/1193726432.db2.gz JVYVFWHEDLCTIM-HOCLYGCPSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2cc(C)ns2)[C@H]1C ZINC001486185744 1193726437 /nfs/dbraw/zinc/72/64/37/1193726437.db2.gz JVYVFWHEDLCTIM-HOCLYGCPSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](Cc2cc(C)ns2)[C@H]1C ZINC001486185744 1193726441 /nfs/dbraw/zinc/72/64/41/1193726441.db2.gz JVYVFWHEDLCTIM-HOCLYGCPSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ns2)[C@H]1C ZINC001486185744 1193726443 /nfs/dbraw/zinc/72/64/43/1193726443.db2.gz JVYVFWHEDLCTIM-HOCLYGCPSA-N 2 2 338.521 2.262 10 0 EEAELP CC[C@@H](F)C[N@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001486509025 1194025977 /nfs/dbraw/zinc/02/59/77/1194025977.db2.gz GCEDVBAJGLCBKD-MRXNPFEDSA-N 2 2 348.466 2.258 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001486509025 1194025980 /nfs/dbraw/zinc/02/59/80/1194025980.db2.gz GCEDVBAJGLCBKD-MRXNPFEDSA-N 2 2 348.466 2.258 10 0 EEAELP Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)c1 ZINC000872153579 1198060888 /nfs/dbraw/zinc/06/08/88/1198060888.db2.gz LAPCZRNIHDKWMO-URLQWDBASA-N 2 2 331.435 2.171 10 0 EEAELP Cc1ccc(F)c(N2CCC[C@H]([N@H+]3C[C@@H]4C[NH2+]C[C@]4(C)C3)C2=O)c1 ZINC000872153579 1198060893 /nfs/dbraw/zinc/06/08/93/1198060893.db2.gz LAPCZRNIHDKWMO-URLQWDBASA-N 2 2 331.435 2.171 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cccc(Br)n3)C2)CC1 ZINC000865536094 1198263990 /nfs/dbraw/zinc/26/39/90/1198263990.db2.gz TVUVKWYIDJSIDU-GFCCVEGCSA-N 2 2 339.281 2.425 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cccc(Br)n3)C2)CC1 ZINC000865536094 1198263995 /nfs/dbraw/zinc/26/39/95/1198263995.db2.gz TVUVKWYIDJSIDU-GFCCVEGCSA-N 2 2 339.281 2.425 10 0 EEAELP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CC(F)F ZINC000865574466 1198282447 /nfs/dbraw/zinc/28/24/47/1198282447.db2.gz XJHYTPJVFKONQV-MNOVXSKESA-N 2 2 344.406 2.405 10 0 EEAELP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)CC(F)F ZINC000865574467 1198282749 /nfs/dbraw/zinc/28/27/49/1198282749.db2.gz XJHYTPJVFKONQV-QWRGUYRKSA-N 2 2 344.406 2.405 10 0 EEAELP CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000865876379 1198411214 /nfs/dbraw/zinc/41/12/14/1198411214.db2.gz IGMJKHXGIWXONH-WMZOPIPTSA-N 2 2 336.476 2.037 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@@H]1[N@H+](Cc1cccnc1)CC2 ZINC001410915393 1198570451 /nfs/dbraw/zinc/57/04/51/1198570451.db2.gz VPWLSKXNCADWOH-HKUYNNGSSA-N 2 2 339.443 2.051 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@@H]1[N@@H+](Cc1cccnc1)CC2 ZINC001410915393 1198570454 /nfs/dbraw/zinc/57/04/54/1198570454.db2.gz VPWLSKXNCADWOH-HKUYNNGSSA-N 2 2 339.443 2.051 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000810252589 1199404825 /nfs/dbraw/zinc/40/48/25/1199404825.db2.gz GVPQLUFLJDLEBJ-XAUMDUMWSA-N 2 2 340.471 2.146 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH2+][C@@H](c2ccc(O)cc2)C1 ZINC000870093879 1200463406 /nfs/dbraw/zinc/46/34/06/1200463406.db2.gz XPWLZLQUQZBMRN-WMLDXEAASA-N 2 2 342.443 2.275 10 0 EEAELP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])c2c(F)cccc2F)C1 ZINC000870994960 1200997350 /nfs/dbraw/zinc/99/73/50/1200997350.db2.gz ZIIMBCYKHUHEOJ-RHSMWYFYSA-N 2 2 325.403 2.188 10 0 EEAELP Cc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)nc1Cl ZINC000866666170 1201574177 /nfs/dbraw/zinc/57/41/77/1201574177.db2.gz MFHFHXNVTROTPU-UHFFFAOYSA-N 2 2 346.866 2.118 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC000869243715 1201973034 /nfs/dbraw/zinc/97/30/34/1201973034.db2.gz SDPNGPSBKXUFAM-UHFFFAOYSA-N 2 2 333.476 2.013 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)OC(C)(C)C2 ZINC000869243715 1201973036 /nfs/dbraw/zinc/97/30/36/1201973036.db2.gz SDPNGPSBKXUFAM-UHFFFAOYSA-N 2 2 333.476 2.013 10 0 EEAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)[nH]n1 ZINC001275233260 1205286862 /nfs/dbraw/zinc/28/68/62/1205286862.db2.gz URQBCLMOUUDXPJ-JMLCCBQJSA-N 2 2 345.491 2.075 10 0 EEAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)[nH]n1 ZINC001275233260 1205286864 /nfs/dbraw/zinc/28/68/64/1205286864.db2.gz URQBCLMOUUDXPJ-JMLCCBQJSA-N 2 2 345.491 2.075 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275449922 1205366221 /nfs/dbraw/zinc/36/62/21/1205366221.db2.gz BXCUCIIZRDRMGM-NEPJUHHUSA-N 2 2 341.415 2.236 10 0 EEAELP CC(C)COCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275592270 1205434537 /nfs/dbraw/zinc/43/45/37/1205434537.db2.gz IGIMNLYWUVJRMN-CQSZACIVSA-N 2 2 332.448 2.286 10 0 EEAELP CC(C)COCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275592270 1205434538 /nfs/dbraw/zinc/43/45/38/1205434538.db2.gz IGIMNLYWUVJRMN-CQSZACIVSA-N 2 2 332.448 2.286 10 0 EEAELP CC(C)OCc1cccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000925987471 1206179023 /nfs/dbraw/zinc/17/90/23/1206179023.db2.gz OEDPKGODRLMTGR-UHFFFAOYSA-N 2 2 334.464 2.156 10 0 EEAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000926125644 1206195395 /nfs/dbraw/zinc/19/53/95/1206195395.db2.gz MSJCYSOENMHJRP-KDOFPFPSSA-N 2 2 343.475 2.024 10 0 EEAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000926125644 1206195396 /nfs/dbraw/zinc/19/53/96/1206195396.db2.gz MSJCYSOENMHJRP-KDOFPFPSSA-N 2 2 343.475 2.024 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000928434650 1206383148 /nfs/dbraw/zinc/38/31/48/1206383148.db2.gz BAFSSFYFZGKXCR-JLSDUUJJSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1C ZINC000928434650 1206383150 /nfs/dbraw/zinc/38/31/50/1206383150.db2.gz BAFSSFYFZGKXCR-JLSDUUJJSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000928434650 1206383152 /nfs/dbraw/zinc/38/31/52/1206383152.db2.gz BAFSSFYFZGKXCR-JLSDUUJJSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000928434650 1206383154 /nfs/dbraw/zinc/38/31/54/1206383154.db2.gz BAFSSFYFZGKXCR-JLSDUUJJSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@H](C(=O)N(C)C)[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931215154 1206616514 /nfs/dbraw/zinc/61/65/14/1206616514.db2.gz DZKHDUYDNQAOKW-UXPWSPDFSA-N 2 2 329.488 2.307 10 0 EEAELP CC(C)(C)OC(=O)N1CC[C@H](C[N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931512954 1207402046 /nfs/dbraw/zinc/40/20/46/1207402046.db2.gz OYAGBTCCHOPYNW-CYBMUJFWSA-N 2 2 332.448 2.279 10 0 EEAELP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931512954 1207402047 /nfs/dbraw/zinc/40/20/47/1207402047.db2.gz OYAGBTCCHOPYNW-CYBMUJFWSA-N 2 2 332.448 2.279 10 0 EEAELP c1ccc(N2CC[NH+](CCC[NH2+][C@]34C[C@H]3COC43CCC3)CC2)cc1 ZINC000933388985 1207764207 /nfs/dbraw/zinc/76/42/07/1207764207.db2.gz MVFHUPOELUFCBE-GHTZIAJQSA-N 2 2 341.499 2.500 10 0 EEAELP Cc1cc(C)c(CC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000900675498 1234641890 /nfs/dbraw/zinc/64/18/90/1234641890.db2.gz SAJQYEOVRKVXII-HNNXBMFYSA-N 2 2 335.517 2.192 10 0 EEAELP Cc1cc(C)c(CC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000900675498 1234641893 /nfs/dbraw/zinc/64/18/93/1234641893.db2.gz SAJQYEOVRKVXII-HNNXBMFYSA-N 2 2 335.517 2.192 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902952589 1239178566 /nfs/dbraw/zinc/17/85/66/1239178566.db2.gz YMLIQCVLGAFVRR-WMLDXEAASA-N 2 2 333.457 2.490 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000903964663 1242758026 /nfs/dbraw/zinc/75/80/26/1242758026.db2.gz NUGQEWRQELXKPJ-KOLCDFICSA-N 2 2 327.222 2.123 10 0 EEAELP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cs1 ZINC001491237003 1258827505 /nfs/dbraw/zinc/82/75/05/1258827505.db2.gz DBDPTNVXMCGYTI-INIZCTEOSA-N 2 2 332.473 2.424 10 0 EEAELP Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cs1 ZINC001491237003 1258827515 /nfs/dbraw/zinc/82/75/15/1258827515.db2.gz DBDPTNVXMCGYTI-INIZCTEOSA-N 2 2 332.473 2.424 10 0 EEAELP CCN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)Cn1cc[nH+]c1 ZINC001273778869 1285480403 /nfs/dbraw/zinc/48/04/03/1285480403.db2.gz REZUSXXCWRJQPK-UHFFFAOYSA-N 2 2 326.444 2.010 10 0 EEAELP CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1C(F)(F)F ZINC001489097099 1290368050 /nfs/dbraw/zinc/36/80/50/1290368050.db2.gz SSARFCHIODNKJV-GXTWGEPZSA-N 2 2 346.397 2.369 10 0 EEAELP CCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001489097099 1290368061 /nfs/dbraw/zinc/36/80/61/1290368061.db2.gz SSARFCHIODNKJV-GXTWGEPZSA-N 2 2 346.397 2.369 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)Cc1ccc(Cl)s1 ZINC001490270119 1291092580 /nfs/dbraw/zinc/09/25/80/1291092580.db2.gz JNIBBJYEYUBWAZ-UHFFFAOYSA-N 2 2 340.880 2.316 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC001490270119 1291092594 /nfs/dbraw/zinc/09/25/94/1291092594.db2.gz JNIBBJYEYUBWAZ-UHFFFAOYSA-N 2 2 340.880 2.316 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCc2ccccc2C1 ZINC001490263212 1291148703 /nfs/dbraw/zinc/14/87/03/1291148703.db2.gz DZMNECNLNMULPI-INIZCTEOSA-N 2 2 340.471 2.195 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCc2ccccc2C1 ZINC001490263212 1291148708 /nfs/dbraw/zinc/14/87/08/1291148708.db2.gz DZMNECNLNMULPI-INIZCTEOSA-N 2 2 340.471 2.195 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001490372388 1291257562 /nfs/dbraw/zinc/25/75/62/1291257562.db2.gz PVICYVVNGWQWAK-QGZVFWFLSA-N 2 2 333.480 2.169 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001490372388 1291257565 /nfs/dbraw/zinc/25/75/65/1291257565.db2.gz PVICYVVNGWQWAK-QGZVFWFLSA-N 2 2 333.480 2.169 10 0 EEAELP CC(C)[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001490372388 1291257567 /nfs/dbraw/zinc/25/75/67/1291257567.db2.gz PVICYVVNGWQWAK-QGZVFWFLSA-N 2 2 333.480 2.169 10 0 EEAELP CC(C)[NH+](CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001490372388 1291257568 /nfs/dbraw/zinc/25/75/68/1291257568.db2.gz PVICYVVNGWQWAK-QGZVFWFLSA-N 2 2 333.480 2.169 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000859274446 1294371420 /nfs/dbraw/zinc/37/14/20/1294371420.db2.gz QJTJWTUZZWVKTG-QFBILLFUSA-N 2 2 333.476 2.077 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000859274446 1294371428 /nfs/dbraw/zinc/37/14/28/1294371428.db2.gz QJTJWTUZZWVKTG-QFBILLFUSA-N 2 2 333.476 2.077 10 0 EEAELP Cn1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c(Br)n1 ZINC000862334716 1295796335 /nfs/dbraw/zinc/79/63/35/1295796335.db2.gz RTDNQAXAAWOHIO-UHFFFAOYSA-N 2 2 327.270 2.243 10 0 EEAELP Cn1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(Br)n1 ZINC000862334716 1295796338 /nfs/dbraw/zinc/79/63/38/1295796338.db2.gz RTDNQAXAAWOHIO-UHFFFAOYSA-N 2 2 327.270 2.243 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001491162777 1299642882 /nfs/dbraw/zinc/64/28/82/1299642882.db2.gz AQNPARXAVLISBS-ZWKOTPCHSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@H](O)CCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001277893851 1305028199 /nfs/dbraw/zinc/02/81/99/1305028199.db2.gz QLJURUQREWPQHD-HOTGVXAUSA-N 2 2 344.459 2.083 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001278263592 1308930773 /nfs/dbraw/zinc/93/07/73/1308930773.db2.gz KPGGDJZOQKHOHK-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001278263592 1308930778 /nfs/dbraw/zinc/93/07/78/1308930778.db2.gz KPGGDJZOQKHOHK-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP COCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001278336636 1309561168 /nfs/dbraw/zinc/56/11/68/1309561168.db2.gz RRUXYFSOSXNZLA-IBGZPJMESA-N 2 2 348.491 2.002 10 0 EEAELP COCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001278336636 1309561173 /nfs/dbraw/zinc/56/11/73/1309561173.db2.gz RRUXYFSOSXNZLA-IBGZPJMESA-N 2 2 348.491 2.002 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]CCCCCF)[C@H]2C1 ZINC001278496478 1310807973 /nfs/dbraw/zinc/80/79/73/1310807973.db2.gz ZYQCQIQAJORUBP-YESZJQIVSA-N 2 2 336.455 2.240 10 0 EEAELP Cc1c(N)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1F ZINC001142767750 1315729030 /nfs/dbraw/zinc/72/90/30/1315729030.db2.gz UXYWPGVOYGTPKB-UHFFFAOYSA-N 2 2 348.466 2.005 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@]2(C)CCN(C(=O)Cc3c[nH+]c[nH]3)C2)cc1 ZINC001278556533 1317224506 /nfs/dbraw/zinc/22/45/06/1317224506.db2.gz RFLWLBHQLOZKJP-HXUWFJFHSA-N 2 2 340.471 2.332 10 0 EEAELP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001279007074 1318985263 /nfs/dbraw/zinc/98/52/63/1318985263.db2.gz VITJPMOXXCOZOA-LSDHHAIUSA-N 2 2 344.459 2.428 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264677756 1322779640 /nfs/dbraw/zinc/77/96/40/1322779640.db2.gz IOLXJCCFPVACRT-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP Cc1cnc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001265005809 1322852178 /nfs/dbraw/zinc/85/21/78/1322852178.db2.gz KSOFWYRQVHCEIM-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cnc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001265005809 1322852185 /nfs/dbraw/zinc/85/21/85/1322852185.db2.gz KSOFWYRQVHCEIM-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2CC(C)C)o1 ZINC001265005809 1322852191 /nfs/dbraw/zinc/85/21/91/1322852191.db2.gz KSOFWYRQVHCEIM-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2CC(C)C)o1 ZINC001265005809 1322852200 /nfs/dbraw/zinc/85/22/00/1322852200.db2.gz KSOFWYRQVHCEIM-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001265064348 1322902836 /nfs/dbraw/zinc/90/28/36/1322902836.db2.gz ZPKHJIUKNQWJOH-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001265064348 1322902841 /nfs/dbraw/zinc/90/28/41/1322902841.db2.gz ZPKHJIUKNQWJOH-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccccc1C1CC1 ZINC001265076241 1322909095 /nfs/dbraw/zinc/90/90/95/1322909095.db2.gz QIENDCIKFCCHKE-UHFFFAOYSA-N 2 2 326.444 2.399 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccccc1C1CC1 ZINC001265076241 1322909096 /nfs/dbraw/zinc/90/90/96/1322909096.db2.gz QIENDCIKFCCHKE-UHFFFAOYSA-N 2 2 326.444 2.399 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC(C)C ZINC001265114653 1322927050 /nfs/dbraw/zinc/92/70/50/1322927050.db2.gz JEIZYRGVVFWLTC-KRWDZBQOSA-N 2 2 335.496 2.274 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC(C)C ZINC001265114653 1322927051 /nfs/dbraw/zinc/92/70/51/1322927051.db2.gz JEIZYRGVVFWLTC-KRWDZBQOSA-N 2 2 335.496 2.274 10 0 EEAELP CC[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)CC(C)C ZINC001265114653 1322927057 /nfs/dbraw/zinc/92/70/57/1322927057.db2.gz JEIZYRGVVFWLTC-KRWDZBQOSA-N 2 2 335.496 2.274 10 0 EEAELP CC[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)CC(C)C ZINC001265114653 1322927058 /nfs/dbraw/zinc/92/70/58/1322927058.db2.gz JEIZYRGVVFWLTC-KRWDZBQOSA-N 2 2 335.496 2.274 10 0 EEAELP CC(C)COCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001281430451 1325084299 /nfs/dbraw/zinc/08/42/99/1325084299.db2.gz ONASFWRZZGRWAY-CVEARBPZSA-N 2 2 344.459 2.057 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]CCCCC(F)(F)F ZINC001282215193 1325653201 /nfs/dbraw/zinc/65/32/01/1325653201.db2.gz AECSWUAUNHHYBL-VXGBXAGGSA-N 2 2 334.386 2.178 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCc1cccs1)C(=O)Cc1c[nH+]c[nH]1 ZINC001282325540 1325692294 /nfs/dbraw/zinc/69/22/94/1325692294.db2.gz JAMGXNFHXUOLGK-UHFFFAOYSA-N 2 2 334.489 2.331 10 0 EEAELP CCCCC[N@@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001282968044 1325859974 /nfs/dbraw/zinc/85/99/74/1325859974.db2.gz QRQJGCVSZIKWLH-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP CCCCC[N@H+]1CCCC2(CN(C(=O)CCc3[nH+]ccn3C)C2)C1 ZINC001282968044 1325859977 /nfs/dbraw/zinc/85/99/77/1325859977.db2.gz QRQJGCVSZIKWLH-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP C[C@@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)C1CC[NH+](C)CC1 ZINC001283233275 1325964597 /nfs/dbraw/zinc/96/45/97/1325964597.db2.gz RPCWLSMOKMKRGW-NSHDSACASA-N 2 2 341.393 2.103 10 0 EEAELP C[N@H+](CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCCC1 ZINC001283387301 1326042666 /nfs/dbraw/zinc/04/26/66/1326042666.db2.gz HPKNDXFXRIQJPQ-UHFFFAOYSA-N 2 2 344.459 2.431 10 0 EEAELP C[N@@H+](CCOCCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC1CCCC1 ZINC001283387301 1326042671 /nfs/dbraw/zinc/04/26/71/1326042671.db2.gz HPKNDXFXRIQJPQ-UHFFFAOYSA-N 2 2 344.459 2.431 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284028785 1326370260 /nfs/dbraw/zinc/37/02/60/1326370260.db2.gz BMDDPZLWSLDALO-MJGOQNOKSA-N 2 2 340.471 2.403 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001284293186 1326492005 /nfs/dbraw/zinc/49/20/05/1326492005.db2.gz NIARKZWZIOGDFE-WBVHZDCISA-N 2 2 330.476 2.238 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](C[NH2+]CCOC(C)C)C3)ccn12 ZINC001491804854 1330261296 /nfs/dbraw/zinc/26/12/96/1330261296.db2.gz LKLPVUWPHDMDAX-INIZCTEOSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)sn1 ZINC001491875529 1330284255 /nfs/dbraw/zinc/28/42/55/1330284255.db2.gz VRKFALNEMGVYPR-KBPBESRZSA-N 2 2 347.488 2.324 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)sn1 ZINC001491875529 1330284256 /nfs/dbraw/zinc/28/42/56/1330284256.db2.gz VRKFALNEMGVYPR-KBPBESRZSA-N 2 2 347.488 2.324 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc2cncs2)c[nH+]1 ZINC001492042054 1330415224 /nfs/dbraw/zinc/41/52/24/1330415224.db2.gz XLMGOQIWSFGRQH-GFCCVEGCSA-N 2 2 335.477 2.068 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CC(C)(C)C1 ZINC001492047072 1330420487 /nfs/dbraw/zinc/42/04/87/1330420487.db2.gz LYHQDFRTJSFQFY-GDBMZVCRSA-N 2 2 332.492 2.366 10 0 EEAELP CCCCOCC[NH2+][C@H]1C[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001317075599 1332070537 /nfs/dbraw/zinc/07/05/37/1332070537.db2.gz BMCGBWWOMAQXGN-QAQDUYKDSA-N 2 2 344.459 2.310 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001317152749 1332102080 /nfs/dbraw/zinc/10/20/80/1332102080.db2.gz NYBDARZKLUDDHR-IAGOWNOFSA-N 2 2 332.492 2.320 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001317218610 1332141236 /nfs/dbraw/zinc/14/12/36/1332141236.db2.gz ILYPRMZKAVGRLA-AOCRQIFASA-N 2 2 348.491 2.107 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001317311715 1332174427 /nfs/dbraw/zinc/17/44/27/1332174427.db2.gz WNFQNSPZHZCIAU-HNNXBMFYSA-N 2 2 347.850 2.102 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H](C[NH2+]C/C=C/Cl)C3)[nH+]c12 ZINC001317334636 1332183945 /nfs/dbraw/zinc/18/39/45/1332183945.db2.gz GJGHTPNTEFHQMF-YFCVBGDOSA-N 2 2 346.862 2.376 10 0 EEAELP Cc1conc1C[NH2+][C@@H](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317400141 1332214744 /nfs/dbraw/zinc/21/47/44/1332214744.db2.gz YLJSCFLRIWONDF-LBPRGKRZSA-N 2 2 327.388 2.158 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001317417093 1332220629 /nfs/dbraw/zinc/22/06/29/1332220629.db2.gz GSDMIJPXPQKXNO-KGLIPLIRSA-N 2 2 341.415 2.270 10 0 EEAELP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001317676947 1332365936 /nfs/dbraw/zinc/36/59/36/1332365936.db2.gz SFDYTRQQXUZOKQ-ZBFHGGJFSA-N 2 2 336.455 2.022 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317788339 1332409790 /nfs/dbraw/zinc/40/97/90/1332409790.db2.gz ITKGGOUMZYBHLA-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317788339 1332409792 /nfs/dbraw/zinc/40/97/92/1332409792.db2.gz ITKGGOUMZYBHLA-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP C[C@](C[NH2+]Cc1ccc(Cl)nc1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001318725601 1332583009 /nfs/dbraw/zinc/58/30/09/1332583009.db2.gz ACXHPJWGFRBMKZ-QGZVFWFLSA-N 2 2 347.850 2.075 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001318802800 1332600250 /nfs/dbraw/zinc/60/02/50/1332600250.db2.gz CHMPDZBGYIGACD-HZPDHXFCSA-N 2 2 336.455 2.023 10 0 EEAELP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001319735970 1332754185 /nfs/dbraw/zinc/75/41/85/1332754185.db2.gz LIISJRVOLOTCGS-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001319735970 1332754189 /nfs/dbraw/zinc/75/41/89/1332754189.db2.gz LIISJRVOLOTCGS-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001319947022 1332800662 /nfs/dbraw/zinc/80/06/62/1332800662.db2.gz KCPAUHQOWXHRBB-WCQYABFASA-N 2 2 347.290 2.267 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001320190416 1332846609 /nfs/dbraw/zinc/84/66/09/1332846609.db2.gz WVYLOPZRYYAODP-RYUDHWBXSA-N 2 2 331.247 2.077 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)Cc1[nH]cc[nH+]1 ZINC001320586436 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ZINC001327488778 1334300592 /nfs/dbraw/zinc/30/05/92/1334300592.db2.gz PUHAESUPKDUUQX-MRXNPFEDSA-N 2 2 348.491 2.130 10 0 EEAELP CCOCCC[NH2+]C1CC(N(C)C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001333070795 1335957721 /nfs/dbraw/zinc/95/77/21/1335957721.db2.gz OJBOKHGENOCOPY-UHFFFAOYSA-N 2 2 344.459 2.262 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479805163 1337390325 /nfs/dbraw/zinc/39/03/25/1337390325.db2.gz XRIXMIBVGIKKGR-LBPRGKRZSA-N 2 2 336.386 2.430 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001479805163 1337390327 /nfs/dbraw/zinc/39/03/27/1337390327.db2.gz XRIXMIBVGIKKGR-LBPRGKRZSA-N 2 2 336.386 2.430 10 0 EEAELP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848552944 1338720367 /nfs/dbraw/zinc/72/03/67/1338720367.db2.gz GUIUSCXZVPVKLZ-OFQRWUPVSA-N 2 2 341.496 2.131 10 0 EEAELP Cc1ncoc1C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480380228 1342095891 /nfs/dbraw/zinc/09/58/91/1342095891.db2.gz QYTFYSRWUREFMZ-HIFRSBDPSA-N 2 2 345.447 2.056 10 0 EEAELP Cc1ncoc1C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480380228 1342095897 /nfs/dbraw/zinc/09/58/97/1342095897.db2.gz QYTFYSRWUREFMZ-HIFRSBDPSA-N 2 2 345.447 2.056 10 0 EEAELP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001500295038 1342141498 /nfs/dbraw/zinc/14/14/98/1342141498.db2.gz GJUOHZBZJOTRMC-HKUYNNGSSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001500295038 1342141502 /nfs/dbraw/zinc/14/15/02/1342141502.db2.gz GJUOHZBZJOTRMC-HKUYNNGSSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](CCNC(=O)C=C3CCC3)CC2)CCO1 ZINC001569884297 1342968825 /nfs/dbraw/zinc/96/88/25/1342968825.db2.gz QOOKVJPIDKJOLI-AEFFLSMTSA-N 2 2 349.519 2.082 10 0 EEAELP CCCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001571362080 1343199137 /nfs/dbraw/zinc/19/91/37/1343199137.db2.gz BFQWKDPVUHFCHE-FUHWJXTLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001676762822 1357195774 /nfs/dbraw/zinc/19/57/74/1357195774.db2.gz OKSBRHAJWXRYAX-MAUKXSAKSA-N 2 2 326.444 2.164 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1c1ccc(F)cc1 ZINC001649897116 1353641986 /nfs/dbraw/zinc/64/19/86/1353641986.db2.gz WYUJTEIDNOZHMB-FHLIZLRMSA-N 2 2 342.418 2.146 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@H]1c1ccc(F)cc1 ZINC001649897116 1353641988 /nfs/dbraw/zinc/64/19/88/1353641988.db2.gz WYUJTEIDNOZHMB-FHLIZLRMSA-N 2 2 342.418 2.146 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001656139833 1354207262 /nfs/dbraw/zinc/20/72/62/1354207262.db2.gz MTKMRSPCIVKICX-AOAYNFQDSA-N 2 2 330.476 2.286 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH2+]Cc1cncs1 ZINC001656448878 1354238732 /nfs/dbraw/zinc/23/87/32/1354238732.db2.gz WMXYCZWDHNSZMH-HIFRSBDPSA-N 2 2 347.488 2.216 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@H](NC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001661486895 1354644500 /nfs/dbraw/zinc/64/45/00/1354644500.db2.gz HYXIRHSYKILDCD-QAQDUYKDSA-N 2 2 326.444 2.130 10 0 EEAELP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001661793986 1354698497 /nfs/dbraw/zinc/69/84/97/1354698497.db2.gz UTROSDYGBDBPGG-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001667003566 1355630744 /nfs/dbraw/zinc/63/07/44/1355630744.db2.gz YGZBIRNRZFWFQS-HOTGVXAUSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001667014289 1355633577 /nfs/dbraw/zinc/63/35/77/1355633577.db2.gz YRSNGUGFZHPHPN-MRXNPFEDSA-N 2 2 341.540 2.360 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001667727788 1355798864 /nfs/dbraw/zinc/79/88/64/1355798864.db2.gz LWJFQGBNKUMRHV-AEFFLSMTSA-N 2 2 348.491 2.034 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001667727788 1355798865 /nfs/dbraw/zinc/79/88/65/1355798865.db2.gz LWJFQGBNKUMRHV-AEFFLSMTSA-N 2 2 348.491 2.034 10 0 EEAELP CCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001667729803 1355799201 /nfs/dbraw/zinc/79/92/01/1355799201.db2.gz UGLNAFGNIVQONS-NVXWUHKLSA-N 2 2 332.492 2.437 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)n1 ZINC001668096790 1355869879 /nfs/dbraw/zinc/86/98/79/1355869879.db2.gz NMNDRCROUXHWOU-IAOVAPTHSA-N 2 2 341.459 2.210 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)n1 ZINC001668096790 1355869881 /nfs/dbraw/zinc/86/98/81/1355869881.db2.gz NMNDRCROUXHWOU-IAOVAPTHSA-N 2 2 341.459 2.210 10 0 EEAELP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001668117679 1355876238 /nfs/dbraw/zinc/87/62/38/1355876238.db2.gz KOQHRDOOJOILSZ-RDJZCZTQSA-N 2 2 330.476 2.430 10 0 EEAELP C[C@H](CC[NH2+]Cc1sccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001668224962 1355903389 /nfs/dbraw/zinc/90/33/89/1355903389.db2.gz YYWFSIVXPAPEFQ-SNVBAGLBSA-N 2 2 326.853 2.352 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)o1 ZINC001668229428 1355904493 /nfs/dbraw/zinc/90/44/93/1355904493.db2.gz NCKRDWXAUKVCKI-QWHCGFSZSA-N 2 2 333.436 2.124 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]Cc3cccnc3)ccn12 ZINC001670095431 1356274582 /nfs/dbraw/zinc/27/45/82/1356274582.db2.gz KYCQILPIXCGHSM-UHFFFAOYSA-N 2 2 337.427 2.290 10 0 EEAELP O=C(C=C1CCCCC1)NCC[NH+]1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC001672451514 1356525559 /nfs/dbraw/zinc/52/55/59/1356525559.db2.gz LQMBPSVJLDKMNL-SFHVURJKSA-N 2 2 349.519 2.084 10 0 EEAELP CCOCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001673651367 1356727485 /nfs/dbraw/zinc/72/74/85/1356727485.db2.gz UIVSUQCYVAMYPE-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP CCOCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001673651367 1356727489 /nfs/dbraw/zinc/72/74/89/1356727489.db2.gz UIVSUQCYVAMYPE-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP CCc1ccc(CC[NH2+]CC2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001674592607 1356861406 /nfs/dbraw/zinc/86/14/06/1356861406.db2.gz OXDZBVJLEVGJKR-UHFFFAOYSA-N 2 2 340.471 2.242 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001674839537 1356902144 /nfs/dbraw/zinc/90/21/44/1356902144.db2.gz HHAIYQCPWVJDRC-YVZNUBBCSA-N 2 2 338.883 2.272 10 0 EEAELP C[C@@H](CCC[NH2+]C/C=C\Cl)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001675904561 1357067004 /nfs/dbraw/zinc/06/70/04/1357067004.db2.gz VPIRFGLEGMJBIY-PODYEWJSSA-N 2 2 338.883 2.389 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001690745806 1404935681 /nfs/dbraw/zinc/93/56/81/1404935681.db2.gz MVAIFYDFUPXDLH-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]CCOC2CCCCCC2)C1 ZINC001690745257 1404935826 /nfs/dbraw/zinc/93/58/26/1404935826.db2.gz AVHNJKRILJQINM-INIZCTEOSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CCC[NH2+]Cc1ccon1 ZINC001692119648 1404980477 /nfs/dbraw/zinc/98/04/77/1404980477.db2.gz FBHIFUOUDCMYOE-RHSMWYFYSA-N 2 2 345.447 2.137 10 0 EEAELP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001698840625 1405102179 /nfs/dbraw/zinc/10/21/79/1405102179.db2.gz ANEWLSRNMXNHRK-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001698840625 1405102185 /nfs/dbraw/zinc/10/21/85/1405102185.db2.gz ANEWLSRNMXNHRK-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP CN(CCC[NH2+]Cc1ccnc(Cl)c1)C(=O)CCc1[nH+]ccn1C ZINC001699524586 1405372440 /nfs/dbraw/zinc/37/24/40/1405372440.db2.gz HKAPJJOARRHHMC-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP CN(CCC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)Cn1cc[nH+]c1 ZINC001699555292 1405393350 /nfs/dbraw/zinc/39/33/50/1405393350.db2.gz BBKFGHGPHPFSMH-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001699853044 1405528206 /nfs/dbraw/zinc/52/82/06/1405528206.db2.gz DPXRJCLBGVBYPC-OAHLLOKOSA-N 2 2 345.274 2.408 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001699989055 1405641408 /nfs/dbraw/zinc/64/14/08/1405641408.db2.gz CEDGTOOBHYPLIZ-ZFULPLIJSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001699989055 1405641415 /nfs/dbraw/zinc/64/14/15/1405641415.db2.gz CEDGTOOBHYPLIZ-ZFULPLIJSA-N 2 2 342.487 2.192 10 0 EEAELP CC[NH+]1CCC(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900010112 785351153 /nfs/dbraw/zinc/35/11/53/785351153.db2.gz UBEIEXAITCZLAX-UHFFFAOYSA-N 2 2 341.459 2.209 10 0 EEAELP CN1CC[NH+](C[C@H](O)CNc2ccc([NH+]3CCCCCC3)cc2)CC1 ZINC000819395510 785528317 /nfs/dbraw/zinc/52/83/17/785528317.db2.gz OIKRHZJSOHUGLG-HXUWFJFHSA-N 2 2 346.519 2.087 10 0 EEAELP C[NH+]1CCN(C[C@H](O)CNc2ccc([NH+]3CCCCCC3)cc2)CC1 ZINC000819395510 785528325 /nfs/dbraw/zinc/52/83/25/785528325.db2.gz OIKRHZJSOHUGLG-HXUWFJFHSA-N 2 2 346.519 2.087 10 0 EEAELP C/C(=C/C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C[NH+]1CCOCC1 ZINC000909927059 786342770 /nfs/dbraw/zinc/34/27/70/786342770.db2.gz LLBLFYFOVKCSQW-PTNGSMBKSA-N 2 2 331.460 2.274 10 0 EEAELP CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000824617491 788245119 /nfs/dbraw/zinc/24/51/19/788245119.db2.gz HOVPTQXPZSBSAW-AWEZNQCLSA-N 2 2 343.431 2.366 10 0 EEAELP CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000824617491 788245125 /nfs/dbraw/zinc/24/51/25/788245125.db2.gz HOVPTQXPZSBSAW-AWEZNQCLSA-N 2 2 343.431 2.366 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)NCCC[N@H+](C)CC(C)C)c1C ZINC000844937910 789476425 /nfs/dbraw/zinc/47/64/25/789476425.db2.gz ZXJLQZBBCKJXME-UHFFFAOYSA-N 2 2 336.480 2.484 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)NCCC[N@@H+](C)CC(C)C)c1C ZINC000844937910 789476432 /nfs/dbraw/zinc/47/64/32/789476432.db2.gz ZXJLQZBBCKJXME-UHFFFAOYSA-N 2 2 336.480 2.484 10 0 EEAELP Brc1cc2c(s1)CC[N@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923389282 789485403 /nfs/dbraw/zinc/48/54/03/789485403.db2.gz NSYKPJJYNLPHEM-NSHDSACASA-N 2 2 343.290 2.247 10 0 EEAELP Brc1cc2c(s1)CC[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923389282 789485408 /nfs/dbraw/zinc/48/54/08/789485408.db2.gz NSYKPJJYNLPHEM-NSHDSACASA-N 2 2 343.290 2.247 10 0 EEAELP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921603380 789825749 /nfs/dbraw/zinc/82/57/49/789825749.db2.gz GIZOSPJDKOXGST-UHFFFAOYSA-N 2 2 340.475 2.045 10 0 EEAELP [NH3+]CC1(CC[NH2+]N2CCO[C@H](c3c(F)cccc3Cl)C2)CC1 ZINC000846314322 790128830 /nfs/dbraw/zinc/12/88/30/790128830.db2.gz QRIYXYHSMOMKGG-AWEZNQCLSA-N 2 2 327.831 2.486 10 0 EEAELP O=S1(=O)CCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716703461 796443730 /nfs/dbraw/zinc/44/37/30/796443730.db2.gz CEQAKWVKRPYCCQ-VJANTYMQSA-N 2 2 348.512 2.206 10 0 EEAELP O=S1(=O)CCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703461 796443735 /nfs/dbraw/zinc/44/37/35/796443735.db2.gz CEQAKWVKRPYCCQ-VJANTYMQSA-N 2 2 348.512 2.206 10 0 EEAELP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000922411888 801005133 /nfs/dbraw/zinc/00/51/33/801005133.db2.gz FSPMHUVZPAFVIX-UKRRQHHQSA-N 2 2 334.464 2.493 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1 ZINC001566052706 1125526580 /nfs/dbraw/zinc/52/65/80/1125526580.db2.gz IYTWUTOZDHROBN-CVEARBPZSA-N 2 2 336.455 2.181 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1 ZINC001566052706 1125526590 /nfs/dbraw/zinc/52/65/90/1125526590.db2.gz IYTWUTOZDHROBN-CVEARBPZSA-N 2 2 336.455 2.181 10 0 EEAELP CO[C@H](C[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1)C1CCCC1 ZINC001436916964 1088577916 /nfs/dbraw/zinc/57/79/16/1088577916.db2.gz KJSAJBUTSNCHLE-LEUOFYLZSA-N 2 2 348.491 2.276 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001436967322 1088658690 /nfs/dbraw/zinc/65/86/90/1088658690.db2.gz BGJXLBXLNIWNJS-OIISXLGYSA-N 2 2 326.444 2.068 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001436967322 1088658700 /nfs/dbraw/zinc/65/87/00/1088658700.db2.gz BGJXLBXLNIWNJS-OIISXLGYSA-N 2 2 326.444 2.068 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001437060858 1088967792 /nfs/dbraw/zinc/96/77/92/1088967792.db2.gz UJFUAVMBRZNCTM-WMZOPIPTSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001437060858 1088967806 /nfs/dbraw/zinc/96/78/06/1088967806.db2.gz UJFUAVMBRZNCTM-WMZOPIPTSA-N 2 2 341.459 2.003 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001437061725 1088974071 /nfs/dbraw/zinc/97/40/71/1088974071.db2.gz YECDZQGDNUVMQW-PKOBYXMFSA-N 2 2 340.471 2.343 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001437061725 1088974081 /nfs/dbraw/zinc/97/40/81/1088974081.db2.gz YECDZQGDNUVMQW-PKOBYXMFSA-N 2 2 340.471 2.343 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](C)CNC(=O)c1sccc1C[NH+](C)C ZINC001437154009 1089155880 /nfs/dbraw/zinc/15/58/80/1089155880.db2.gz KKDSPFPZZPEIET-LLVKDONJSA-N 2 2 336.461 2.014 10 0 EEAELP CCc1ccccc1CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001437158474 1089161292 /nfs/dbraw/zinc/16/12/92/1089161292.db2.gz QJMOGOCYJZALEF-BMGDILEWSA-N 2 2 340.471 2.413 10 0 EEAELP CCc1ccccc1CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001437158474 1089161326 /nfs/dbraw/zinc/16/13/26/1089161326.db2.gz QJMOGOCYJZALEF-BMGDILEWSA-N 2 2 340.471 2.413 10 0 EEAELP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001437336649 1089525227 /nfs/dbraw/zinc/52/52/27/1089525227.db2.gz PXRTVGISOARHMV-AEFFLSMTSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001437336649 1089525233 /nfs/dbraw/zinc/52/52/33/1089525233.db2.gz PXRTVGISOARHMV-AEFFLSMTSA-N 2 2 332.492 2.414 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001437531647 1089966163 /nfs/dbraw/zinc/96/61/63/1089966163.db2.gz NWGFWIOHBZMZRZ-CHWSQXEVSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001437531647 1089966176 /nfs/dbraw/zinc/96/61/76/1089966176.db2.gz NWGFWIOHBZMZRZ-CHWSQXEVSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001437531647 1089966192 /nfs/dbraw/zinc/96/61/92/1089966192.db2.gz NWGFWIOHBZMZRZ-CHWSQXEVSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001437531647 1089966206 /nfs/dbraw/zinc/96/62/06/1089966206.db2.gz NWGFWIOHBZMZRZ-CHWSQXEVSA-N 2 2 328.407 2.072 10 0 EEAELP C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(Cl)c1F ZINC001437541114 1089991601 /nfs/dbraw/zinc/99/16/01/1089991601.db2.gz JWKVZAUJMABWEI-UHFFFAOYSA-N 2 2 339.842 2.123 10 0 EEAELP C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)Cc1cccc(Cl)c1F ZINC001437541114 1089991610 /nfs/dbraw/zinc/99/16/10/1089991610.db2.gz JWKVZAUJMABWEI-UHFFFAOYSA-N 2 2 339.842 2.123 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1cccc(C(C)C)n1 ZINC001437640043 1090158990 /nfs/dbraw/zinc/15/89/90/1090158990.db2.gz NUAOPBCTJRMMFK-UHFFFAOYSA-N 2 2 343.475 2.119 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1cccc(C(C)C)n1 ZINC001437640043 1090158995 /nfs/dbraw/zinc/15/89/95/1090158995.db2.gz NUAOPBCTJRMMFK-UHFFFAOYSA-N 2 2 343.475 2.119 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001437710719 1090258445 /nfs/dbraw/zinc/25/84/45/1090258445.db2.gz KCBMUGRCUFOOHE-HNAYVOBHSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001437710719 1090258450 /nfs/dbraw/zinc/25/84/50/1090258450.db2.gz KCBMUGRCUFOOHE-HNAYVOBHSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001437710719 1090258454 /nfs/dbraw/zinc/25/84/54/1090258454.db2.gz KCBMUGRCUFOOHE-HNAYVOBHSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001437710719 1090258458 /nfs/dbraw/zinc/25/84/58/1090258458.db2.gz KCBMUGRCUFOOHE-HNAYVOBHSA-N 2 2 338.455 2.468 10 0 EEAELP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001437858659 1090439499 /nfs/dbraw/zinc/43/94/99/1090439499.db2.gz QAMHMILAQSSCHZ-WBVHZDCISA-N 2 2 332.492 2.318 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC001438155934 1090670490 /nfs/dbraw/zinc/67/04/90/1090670490.db2.gz DFYLJXFIROTEIO-ZDUSSCGKSA-N 2 2 339.430 2.414 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC001438155934 1090670492 /nfs/dbraw/zinc/67/04/92/1090670492.db2.gz DFYLJXFIROTEIO-ZDUSSCGKSA-N 2 2 339.430 2.414 10 0 EEAELP O=C(NC1(C[NH2+]Cc2ccccn2)CCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001438393639 1090881458 /nfs/dbraw/zinc/88/14/58/1090881458.db2.gz QBZMIHUGRIOBIS-HZPDHXFCSA-N 2 2 339.443 2.127 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@]2(NC(=O)Cc3c[nH]c[nH+]3)CCCC[C@H]2C)o1 ZINC001438434891 1090936168 /nfs/dbraw/zinc/93/61/68/1090936168.db2.gz ZHBOUVONSNBUMK-ACJLOTCBSA-N 2 2 345.447 2.104 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1C[N@H+](CCC2CC2)CCO1 ZINC001438562974 1091054371 /nfs/dbraw/zinc/05/43/71/1091054371.db2.gz BLKYWMHDUGKVQW-NVXWUHKLSA-N 2 2 348.491 2.014 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1C[N@@H+](CCC2CC2)CCO1 ZINC001438562974 1091054379 /nfs/dbraw/zinc/05/43/79/1091054379.db2.gz BLKYWMHDUGKVQW-NVXWUHKLSA-N 2 2 348.491 2.014 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001445574731 1091354307 /nfs/dbraw/zinc/35/43/07/1091354307.db2.gz JKOAAABBLGWOLA-KSSFIOAISA-N 2 2 339.439 2.415 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)C)on1 ZINC001438803732 1091411997 /nfs/dbraw/zinc/41/19/97/1091411997.db2.gz AFIZRWPFRSQNRD-INIZCTEOSA-N 2 2 347.463 2.154 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCN(C)C(=O)c2cccc(C[NH+](C)C)c2)o1 ZINC001438939987 1091624291 /nfs/dbraw/zinc/62/42/91/1091624291.db2.gz WXDVDLOZVCHGQD-UHFFFAOYSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1ncc(C[N@H+](C)CCN(C)C(=O)c2cccc(C[NH+](C)C)c2)o1 ZINC001438939987 1091624293 /nfs/dbraw/zinc/62/42/93/1091624293.db2.gz WXDVDLOZVCHGQD-UHFFFAOYSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ncc(-c2ccccc2)o1)NC(=O)CC[NH+](C)C ZINC001439360818 1092079202 /nfs/dbraw/zinc/07/92/02/1092079202.db2.gz GGOXJIZJOGUDIO-HNNXBMFYSA-N 2 2 344.459 2.230 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ncc(-c2ccccc2)o1)NC(=O)CC[NH+](C)C ZINC001439360818 1092079212 /nfs/dbraw/zinc/07/92/12/1092079212.db2.gz GGOXJIZJOGUDIO-HNNXBMFYSA-N 2 2 344.459 2.230 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001439479830 1092282606 /nfs/dbraw/zinc/28/26/06/1092282606.db2.gz AIBVUEPYFIDEFN-RDJZCZTQSA-N 2 2 348.491 2.232 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C(Cl)=C\Cl ZINC001440190323 1093254260 /nfs/dbraw/zinc/25/42/60/1093254260.db2.gz JDWCCZURVHYSKX-XMNZZIDVSA-N 2 2 334.291 2.322 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C(Cl)=C\Cl ZINC001440190323 1093254262 /nfs/dbraw/zinc/25/42/62/1093254262.db2.gz JDWCCZURVHYSKX-XMNZZIDVSA-N 2 2 334.291 2.322 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001440509942 1093754843 /nfs/dbraw/zinc/75/48/43/1093754843.db2.gz MGGHVWAMKYWMQX-NXHRZFHOSA-N 2 2 335.467 2.446 10 0 EEAELP CC[C@@H](F)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@H]1C ZINC001440509942 1093754845 /nfs/dbraw/zinc/75/48/45/1093754845.db2.gz MGGHVWAMKYWMQX-NXHRZFHOSA-N 2 2 335.467 2.446 10 0 EEAELP CC[C@@H](F)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC001440509942 1093754849 /nfs/dbraw/zinc/75/48/49/1093754849.db2.gz MGGHVWAMKYWMQX-NXHRZFHOSA-N 2 2 335.467 2.446 10 0 EEAELP CC[C@@H](F)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC001440509942 1093754854 /nfs/dbraw/zinc/75/48/54/1093754854.db2.gz MGGHVWAMKYWMQX-NXHRZFHOSA-N 2 2 335.467 2.446 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1Cl ZINC001448788626 1093868559 /nfs/dbraw/zinc/86/85/59/1093868559.db2.gz FACOZFLKIYVOIW-GFCCVEGCSA-N 2 2 338.814 2.312 10 0 EEAELP CC[N@@H+]1CC[C@H]1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC001440617083 1093883198 /nfs/dbraw/zinc/88/31/98/1093883198.db2.gz KFHMWKBDWOGBGC-SFHVURJKSA-N 2 2 330.476 2.170 10 0 EEAELP CC[N@H+]1CC[C@H]1C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC001440617083 1093883203 /nfs/dbraw/zinc/88/32/03/1093883203.db2.gz KFHMWKBDWOGBGC-SFHVURJKSA-N 2 2 330.476 2.170 10 0 EEAELP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001440660652 1093930795 /nfs/dbraw/zinc/93/07/95/1093930795.db2.gz DZBKKMRXESUQAU-DLBZAZTESA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@H]([NH2+]CC=C(Cl)Cl)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001440807142 1094053985 /nfs/dbraw/zinc/05/39/85/1094053985.db2.gz DKCYSKAEDKXTGN-MNOVXSKESA-N 2 2 333.263 2.155 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2[nH+]ccn2C)cc1F ZINC001440819386 1094072872 /nfs/dbraw/zinc/07/28/72/1094072872.db2.gz WMULCRXHVKVICA-CABCVRRESA-N 2 2 346.450 2.483 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001449062361 1094078026 /nfs/dbraw/zinc/07/80/26/1094078026.db2.gz UATDEIXJFOXOJN-DZGCQCFKSA-N 2 2 332.473 2.479 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001449062361 1094078031 /nfs/dbraw/zinc/07/80/31/1094078031.db2.gz UATDEIXJFOXOJN-DZGCQCFKSA-N 2 2 332.473 2.479 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001449413653 1094397626 /nfs/dbraw/zinc/39/76/26/1094397626.db2.gz UTVBJWNBXLGNCD-UHFFFAOYSA-N 2 2 330.476 2.422 10 0 EEAELP O=C(NC1(C[NH2+]CC2CC2)CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001441104797 1094410795 /nfs/dbraw/zinc/41/07/95/1094410795.db2.gz YBQYJOLCZLPLEU-MRXNPFEDSA-N 2 2 330.476 2.264 10 0 EEAELP C[N@H+](C/C=C\Cl)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441300505 1094746184 /nfs/dbraw/zinc/74/61/84/1094746184.db2.gz JEULMWOAVPBZOJ-KBLLZPJMSA-N 2 2 336.867 2.436 10 0 EEAELP C[N@@H+](C/C=C\Cl)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001441300505 1094746192 /nfs/dbraw/zinc/74/61/92/1094746192.db2.gz JEULMWOAVPBZOJ-KBLLZPJMSA-N 2 2 336.867 2.436 10 0 EEAELP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001441561018 1095311602 /nfs/dbraw/zinc/31/16/02/1095311602.db2.gz RLURYBWPMCUIPR-DLBZAZTESA-N 2 2 340.471 2.391 10 0 EEAELP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2nocc2C)C1 ZINC001442214297 1096505395 /nfs/dbraw/zinc/50/53/95/1096505395.db2.gz IZWPEAMNOIKFQL-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)Cc2nocc2C)C1 ZINC001442214297 1096505402 /nfs/dbraw/zinc/50/54/02/1096505402.db2.gz IZWPEAMNOIKFQL-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)Cc2nocc2C)C1 ZINC001442214297 1096505407 /nfs/dbraw/zinc/50/54/07/1096505407.db2.gz IZWPEAMNOIKFQL-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CCC[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2nocc2C)C1 ZINC001442214297 1096505413 /nfs/dbraw/zinc/50/54/13/1096505413.db2.gz IZWPEAMNOIKFQL-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CC(C)CC[NH2+][C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001442219722 1096514965 /nfs/dbraw/zinc/51/49/65/1096514965.db2.gz AWDIQLVCFKSEMX-KGLIPLIRSA-N 2 2 346.397 2.367 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001442900616 1097302909 /nfs/dbraw/zinc/30/29/09/1097302909.db2.gz CCEFZXGRKWNYAQ-GJZGRUSLSA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001442900616 1097302915 /nfs/dbraw/zinc/30/29/15/1097302915.db2.gz CCEFZXGRKWNYAQ-GJZGRUSLSA-N 2 2 340.418 2.147 10 0 EEAELP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001443261644 1097739971 /nfs/dbraw/zinc/73/99/71/1097739971.db2.gz UHVKVYLMZAPQHM-YJBOKZPZSA-N 2 2 347.507 2.274 10 0 EEAELP CC(C)C[N@H+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001443261644 1097739975 /nfs/dbraw/zinc/73/99/75/1097739975.db2.gz UHVKVYLMZAPQHM-YJBOKZPZSA-N 2 2 347.507 2.274 10 0 EEAELP CC(C)C[NH+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001443261644 1097739981 /nfs/dbraw/zinc/73/99/81/1097739981.db2.gz UHVKVYLMZAPQHM-YJBOKZPZSA-N 2 2 347.507 2.274 10 0 EEAELP CC(C)C[NH+]1CC[C@H](CCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001443261644 1097739986 /nfs/dbraw/zinc/73/99/86/1097739986.db2.gz UHVKVYLMZAPQHM-YJBOKZPZSA-N 2 2 347.507 2.274 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@H+](C)CC[C@H]2CCCCO2)C1 ZINC001443335730 1097847875 /nfs/dbraw/zinc/84/78/75/1097847875.db2.gz FSUFJPMDNGKXSM-DLBZAZTESA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[N@@H+](C)CC[C@H]2CCCCO2)C1 ZINC001443335730 1097847882 /nfs/dbraw/zinc/84/78/82/1097847882.db2.gz FSUFJPMDNGKXSM-DLBZAZTESA-N 2 2 348.491 2.000 10 0 EEAELP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001443878016 1098403330 /nfs/dbraw/zinc/40/33/30/1098403330.db2.gz LIODZMOPNVSGAJ-INIZCTEOSA-N 2 2 345.447 2.083 10 0 EEAELP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001443878016 1098403335 /nfs/dbraw/zinc/40/33/35/1098403335.db2.gz LIODZMOPNVSGAJ-INIZCTEOSA-N 2 2 345.447 2.083 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1Cc1nccs1 ZINC001479718927 1098805690 /nfs/dbraw/zinc/80/56/90/1098805690.db2.gz VFYSNYFETXVBDK-KGLIPLIRSA-N 2 2 338.521 2.200 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1Cc1nccs1 ZINC001479718927 1098805697 /nfs/dbraw/zinc/80/56/97/1098805697.db2.gz VFYSNYFETXVBDK-KGLIPLIRSA-N 2 2 338.521 2.200 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1Cc1nccs1 ZINC001479718927 1098805711 /nfs/dbraw/zinc/80/57/11/1098805711.db2.gz VFYSNYFETXVBDK-KGLIPLIRSA-N 2 2 338.521 2.200 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1Cc1nccs1 ZINC001479718927 1098805726 /nfs/dbraw/zinc/80/57/26/1098805726.db2.gz VFYSNYFETXVBDK-KGLIPLIRSA-N 2 2 338.521 2.200 10 0 EEAELP CCc1cnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001444605886 1099433414 /nfs/dbraw/zinc/43/34/14/1099433414.db2.gz SXDGNQQGSNWJMS-GDBMZVCRSA-N 2 2 336.480 2.046 10 0 EEAELP CCc1cnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001444605886 1099433418 /nfs/dbraw/zinc/43/34/18/1099433418.db2.gz SXDGNQQGSNWJMS-GDBMZVCRSA-N 2 2 336.480 2.046 10 0 EEAELP CC(C)(C)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001480112607 1099679600 /nfs/dbraw/zinc/67/96/00/1099679600.db2.gz JWGTUHAQHQJJID-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001480208248 1099816378 /nfs/dbraw/zinc/81/63/78/1099816378.db2.gz SWCAQOVIQGHRFL-HDICACEKSA-N 2 2 326.444 2.396 10 0 EEAELP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001480208248 1099816387 /nfs/dbraw/zinc/81/63/87/1099816387.db2.gz SWCAQOVIQGHRFL-HDICACEKSA-N 2 2 326.444 2.396 10 0 EEAELP C[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC001445301427 1100532583 /nfs/dbraw/zinc/53/25/83/1100532583.db2.gz KZSGHTFRHKAQII-QWHCGFSZSA-N 2 2 336.386 2.407 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)o1 ZINC001495281135 1100979846 /nfs/dbraw/zinc/97/98/46/1100979846.db2.gz MENWIUWTXPCFCF-SCLBCKFNSA-N 2 2 345.447 2.205 10 0 EEAELP Cc1ncccc1C[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001495539032 1101254562 /nfs/dbraw/zinc/25/45/62/1101254562.db2.gz PCROKYNAWKFGCQ-UHFFFAOYSA-N 2 2 341.459 2.005 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001495566923 1101277535 /nfs/dbraw/zinc/27/75/35/1101277535.db2.gz ATWKUZCQRYKQDQ-SJLPKXTDSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001495682476 1101429983 /nfs/dbraw/zinc/42/99/83/1101429983.db2.gz LKHAMCKFWMUWHW-DJIMGWMZSA-N 2 2 326.444 2.364 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001495682476 1101429991 /nfs/dbraw/zinc/42/99/91/1101429991.db2.gz LKHAMCKFWMUWHW-DJIMGWMZSA-N 2 2 326.444 2.364 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]CCc1ccc(C)cc1 ZINC001495797578 1101610245 /nfs/dbraw/zinc/61/02/45/1101610245.db2.gz RROMYBTWCHMUTR-OAHLLOKOSA-N 2 2 328.460 2.154 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001496892882 1101678981 /nfs/dbraw/zinc/67/89/81/1101678981.db2.gz QVIDUPLWOKADPB-WBVHZDCISA-N 2 2 331.460 2.307 10 0 EEAELP Cc1cc(C)c(C[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001497338182 1102350092 /nfs/dbraw/zinc/35/00/92/1102350092.db2.gz ZKMNCBPHYYEUPX-QGZVFWFLSA-N 2 2 328.460 2.493 10 0 EEAELP Cc1nocc1C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001493904584 1103091655 /nfs/dbraw/zinc/09/16/55/1103091655.db2.gz QRSOPHUPLXIVBQ-GOSISDBHSA-N 2 2 342.443 2.026 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cscn1)n1cc[nH+]c1 ZINC001497832759 1103164783 /nfs/dbraw/zinc/16/47/83/1103164783.db2.gz VRCBMRQBPLCVJY-UKRRQHHQSA-N 2 2 335.477 2.221 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001493976335 1103243208 /nfs/dbraw/zinc/24/32/08/1103243208.db2.gz DRKFJBAYGCALQH-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001493976335 1103243212 /nfs/dbraw/zinc/24/32/12/1103243212.db2.gz DRKFJBAYGCALQH-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447766033 1103263878 /nfs/dbraw/zinc/26/38/78/1103263878.db2.gz CDFHSKSSMIFQHW-DLBZAZTESA-N 2 2 339.524 2.066 10 0 EEAELP C[N@@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+](C)CCO1 ZINC001447766033 1103263880 /nfs/dbraw/zinc/26/38/80/1103263880.db2.gz CDFHSKSSMIFQHW-DLBZAZTESA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001447766033 1103263890 /nfs/dbraw/zinc/26/38/90/1103263890.db2.gz CDFHSKSSMIFQHW-DLBZAZTESA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001447766033 1103263892 /nfs/dbraw/zinc/26/38/92/1103263892.db2.gz CDFHSKSSMIFQHW-DLBZAZTESA-N 2 2 339.524 2.066 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCOC1CCC1 ZINC001447786086 1103340148 /nfs/dbraw/zinc/34/01/48/1103340148.db2.gz XALGVCQHMCOUSD-DOTOQJQBSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOC1CCC1 ZINC001447786086 1103340164 /nfs/dbraw/zinc/34/01/64/1103340164.db2.gz XALGVCQHMCOUSD-DOTOQJQBSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@H+](C)CCOC1CCC1 ZINC001447786086 1103340179 /nfs/dbraw/zinc/34/01/79/1103340179.db2.gz XALGVCQHMCOUSD-DOTOQJQBSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCOC1CCC1 ZINC001447786086 1103340194 /nfs/dbraw/zinc/34/01/94/1103340194.db2.gz XALGVCQHMCOUSD-DOTOQJQBSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](c1ccc(F)cc1F)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001494625480 1104210344 /nfs/dbraw/zinc/21/03/44/1104210344.db2.gz KXEOCQCTAPWHCC-ZDUSSCGKSA-N 2 2 337.414 2.170 10 0 EEAELP C[C@H]1CC[C@H](C[NH2+]CC2(NC(=O)CCn3cc[nH+]c3)CCCCC2)O1 ZINC001448229143 1104218599 /nfs/dbraw/zinc/21/85/99/1104218599.db2.gz VATDWPKUMJWNEK-DLBZAZTESA-N 2 2 348.491 2.249 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001448341265 1104427811 /nfs/dbraw/zinc/42/78/11/1104427811.db2.gz UJLQKIHOOPLWRZ-OCCSQVGLSA-N 2 2 340.418 2.214 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494851690 1104455300 /nfs/dbraw/zinc/45/53/00/1104455300.db2.gz VICKJHUQDXSYQA-GOEBONIOSA-N 2 2 345.447 2.118 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494851690 1104455306 /nfs/dbraw/zinc/45/53/06/1104455306.db2.gz VICKJHUQDXSYQA-GOEBONIOSA-N 2 2 345.447 2.118 10 0 EEAELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C)nc1C ZINC001495071659 1104711656 /nfs/dbraw/zinc/71/16/56/1104711656.db2.gz HHTJVPJXQDMZAW-DYVFJYSZSA-N 2 2 343.475 2.285 10 0 EEAELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C)nc1C ZINC001495071659 1104711661 /nfs/dbraw/zinc/71/16/61/1104711661.db2.gz HHTJVPJXQDMZAW-DYVFJYSZSA-N 2 2 343.475 2.285 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498062025 1106865561 /nfs/dbraw/zinc/86/55/61/1106865561.db2.gz VYBKIAKRNCFSAT-QWHCGFSZSA-N 2 2 348.397 2.018 10 0 EEAELP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001498134043 1106968189 /nfs/dbraw/zinc/96/81/89/1106968189.db2.gz YHNSQRHQIMPUPD-CABCVRRESA-N 2 2 328.460 2.445 10 0 EEAELP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001498134043 1106968195 /nfs/dbraw/zinc/96/81/95/1106968195.db2.gz YHNSQRHQIMPUPD-CABCVRRESA-N 2 2 328.460 2.445 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)c(C)s1 ZINC001498427549 1107503015 /nfs/dbraw/zinc/50/30/15/1107503015.db2.gz XKMDHNIXGCBWOL-DOMZBBRYSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)c(C)s1 ZINC001498427549 1107503023 /nfs/dbraw/zinc/50/30/23/1107503023.db2.gz XKMDHNIXGCBWOL-DOMZBBRYSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001498427549 1107503029 /nfs/dbraw/zinc/50/30/29/1107503029.db2.gz XKMDHNIXGCBWOL-DOMZBBRYSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001498427549 1107503036 /nfs/dbraw/zinc/50/30/36/1107503036.db2.gz XKMDHNIXGCBWOL-DOMZBBRYSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001498559076 1107719577 /nfs/dbraw/zinc/71/95/77/1107719577.db2.gz WIBBESSRSGOOOQ-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001498559076 1107719589 /nfs/dbraw/zinc/71/95/89/1107719589.db2.gz WIBBESSRSGOOOQ-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP Cc1oncc1C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001493382590 1108032315 /nfs/dbraw/zinc/03/23/15/1108032315.db2.gz STWFRICUSDABDY-ZWKOTPCHSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001493382590 1108032329 /nfs/dbraw/zinc/03/23/29/1108032329.db2.gz STWFRICUSDABDY-ZWKOTPCHSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001493382590 1108032344 /nfs/dbraw/zinc/03/23/44/1108032344.db2.gz STWFRICUSDABDY-ZWKOTPCHSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001493382590 1108032359 /nfs/dbraw/zinc/03/23/59/1108032359.db2.gz STWFRICUSDABDY-ZWKOTPCHSA-N 2 2 346.475 2.081 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001493724941 1108571603 /nfs/dbraw/zinc/57/16/03/1108571603.db2.gz HUTDQYITIBIOSB-AWEZNQCLSA-N 2 2 332.423 2.018 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001493724941 1108571614 /nfs/dbraw/zinc/57/16/14/1108571614.db2.gz HUTDQYITIBIOSB-AWEZNQCLSA-N 2 2 332.423 2.018 10 0 EEAELP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001500096668 1112615061 /nfs/dbraw/zinc/61/50/61/1112615061.db2.gz IPTJKIQBJRMAHR-DLBZAZTESA-N 2 2 332.492 2.366 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500235146 1112694235 /nfs/dbraw/zinc/69/42/35/1112694235.db2.gz POPHZQDESRVPKE-MJRGOJFPSA-N 2 2 334.464 2.287 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500235146 1112694239 /nfs/dbraw/zinc/69/42/39/1112694239.db2.gz POPHZQDESRVPKE-MJRGOJFPSA-N 2 2 334.464 2.287 10 0 EEAELP CC(C)(C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccon2)C1)[NH+]1CCCC1 ZINC001500512229 1112905787 /nfs/dbraw/zinc/90/57/87/1112905787.db2.gz TWDHMTCHQSJXDS-LJQANCHMSA-N 2 2 348.491 2.267 10 0 EEAELP CC(C)(C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccon2)C1)[NH+]1CCCC1 ZINC001500512229 1112905793 /nfs/dbraw/zinc/90/57/93/1112905793.db2.gz TWDHMTCHQSJXDS-LJQANCHMSA-N 2 2 348.491 2.267 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001501597771 1113394734 /nfs/dbraw/zinc/39/47/34/1113394734.db2.gz UMNMQZSFDJQYRE-SFHVURJKSA-N 2 2 340.471 2.381 10 0 EEAELP CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001501701131 1113441312 /nfs/dbraw/zinc/44/13/12/1113441312.db2.gz RVLFBWLCVPYINP-WKILWMFISA-N 2 2 344.459 2.249 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1coc(C)n1 ZINC001502401889 1113667187 /nfs/dbraw/zinc/66/71/87/1113667187.db2.gz UPVMOHJLQLHWNE-QGZVFWFLSA-N 2 2 336.480 2.138 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH+](C)Cc1coc(C)n1 ZINC001502401889 1113667190 /nfs/dbraw/zinc/66/71/90/1113667190.db2.gz UPVMOHJLQLHWNE-QGZVFWFLSA-N 2 2 336.480 2.138 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1coc(C)n1 ZINC001502401889 1113667193 /nfs/dbraw/zinc/66/71/93/1113667193.db2.gz UPVMOHJLQLHWNE-QGZVFWFLSA-N 2 2 336.480 2.138 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)N(C)CCC[N@@H+](C)Cc1coc(C)n1 ZINC001502401889 1113667197 /nfs/dbraw/zinc/66/71/97/1113667197.db2.gz UPVMOHJLQLHWNE-QGZVFWFLSA-N 2 2 336.480 2.138 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC001505522576 1114033845 /nfs/dbraw/zinc/03/38/45/1114033845.db2.gz ASAUNVAYBVKFON-ODIFPOPNSA-N 2 2 326.444 2.273 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]Cc2ccccc2)C1 ZINC001505522576 1114033848 /nfs/dbraw/zinc/03/38/48/1114033848.db2.gz ASAUNVAYBVKFON-ODIFPOPNSA-N 2 2 326.444 2.273 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]CCc1ccccc1F ZINC001505664287 1114117273 /nfs/dbraw/zinc/11/72/73/1114117273.db2.gz PKYBWPYVQFHJPZ-LSDHHAIUSA-N 2 2 332.423 2.138 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2C)c(C)o1 ZINC001505709622 1114144583 /nfs/dbraw/zinc/14/45/83/1114144583.db2.gz GQZPGYCKOKZSHK-STQMWFEESA-N 2 2 347.463 2.260 10 0 EEAELP Cc1ncsc1CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001506018337 1114348046 /nfs/dbraw/zinc/34/80/46/1114348046.db2.gz YRCCNEPBIJUZRZ-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001506018337 1114348051 /nfs/dbraw/zinc/34/80/51/1114348051.db2.gz YRCCNEPBIJUZRZ-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001506018337 1114348056 /nfs/dbraw/zinc/34/80/56/1114348056.db2.gz YRCCNEPBIJUZRZ-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001506018337 1114348060 /nfs/dbraw/zinc/34/80/60/1114348060.db2.gz YRCCNEPBIJUZRZ-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507321135 1115190889 /nfs/dbraw/zinc/19/08/89/1115190889.db2.gz YTHZCXCLOAAHBW-DZGCQCFKSA-N 2 2 342.443 2.325 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001507406110 1115253746 /nfs/dbraw/zinc/25/37/46/1115253746.db2.gz CNIJDXRNWSJXMQ-OLZOCXBDSA-N 2 2 346.397 2.180 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001568153016 1124327802 /nfs/dbraw/zinc/32/78/02/1124327802.db2.gz DZHFKYUCGKLGMH-CYBMUJFWSA-N 2 2 332.370 2.196 10 0 EEAELP COCCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001568358942 1124436211 /nfs/dbraw/zinc/43/62/11/1124436211.db2.gz GYEFJINRRXYSRW-ZBFHGGJFSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H](CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccon1)n1cc[nH+]c1 ZINC001568394240 1124464778 /nfs/dbraw/zinc/46/47/78/1124464778.db2.gz BZQVBGKAQPUOBD-NVXWUHKLSA-N 2 2 345.447 2.383 10 0 EEAELP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001568460311 1124523862 /nfs/dbraw/zinc/52/38/62/1124523862.db2.gz GYSSJBKPQPPLPK-ROUUACIJSA-N 2 2 339.524 2.160 10 0 EEAELP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001568460311 1124523864 /nfs/dbraw/zinc/52/38/64/1124523864.db2.gz GYSSJBKPQPPLPK-ROUUACIJSA-N 2 2 339.524 2.160 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001568535607 1124597946 /nfs/dbraw/zinc/59/79/46/1124597946.db2.gz FWVPLGZZVNPFMV-CZUORRHYSA-N 2 2 332.473 2.131 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568645750 1124658090 /nfs/dbraw/zinc/65/80/90/1124658090.db2.gz KDTOZAKAIUIPMK-UONOGXRCSA-N 2 2 330.432 2.088 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001568874617 1124900164 /nfs/dbraw/zinc/90/01/64/1124900164.db2.gz BWVXMQHUUGRPOR-MMUANNJHSA-N 2 2 338.455 2.469 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CCc3ccns3)ccn12 ZINC001569058578 1125070554 /nfs/dbraw/zinc/07/05/54/1125070554.db2.gz LDKZRZKDFVGVFN-LBPRGKRZSA-N 2 2 343.456 2.050 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000083713136 539359701 /nfs/dbraw/zinc/35/97/01/539359701.db2.gz FCQAYQQLLLAWFJ-QGZVFWFLSA-N 2 2 341.459 2.019 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000083713136 539359706 /nfs/dbraw/zinc/35/97/06/539359706.db2.gz FCQAYQQLLLAWFJ-QGZVFWFLSA-N 2 2 341.459 2.019 10 0 EEAELP Cc1nn(C)c(N(C)C)c1C[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000058393352 201141022 /nfs/dbraw/zinc/14/10/22/201141022.db2.gz ZMGFDWZYYGDABO-UHFFFAOYSA-N 2 2 341.503 2.333 10 0 EEAELP Cc1nn(C)c(N(C)C)c1C[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000058393352 201141026 /nfs/dbraw/zinc/14/10/26/201141026.db2.gz ZMGFDWZYYGDABO-UHFFFAOYSA-N 2 2 341.503 2.333 10 0 EEAELP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422952603 240307192 /nfs/dbraw/zinc/30/71/92/240307192.db2.gz BNFAMFGPHBDMDC-ICSRJNTNSA-N 2 2 341.455 2.360 10 0 EEAELP C[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1nc(-c2ccccc2)no1 ZINC000423011948 240328747 /nfs/dbraw/zinc/32/87/47/240328747.db2.gz JROHXDPUMWVERC-XYPHTWIQSA-N 2 2 342.443 2.197 10 0 EEAELP Cc1ncccc1OC[C@H]1CCC[N@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425366804 241140133 /nfs/dbraw/zinc/14/01/33/241140133.db2.gz GJTYCWLLXWGGQU-OAHLLOKOSA-N 2 2 329.448 2.233 10 0 EEAELP Cc1ncccc1OC[C@H]1CCC[N@@H+]1Cc1c[nH+]c(N(C)C)n1C ZINC000425366804 241140137 /nfs/dbraw/zinc/14/01/37/241140137.db2.gz GJTYCWLLXWGGQU-OAHLLOKOSA-N 2 2 329.448 2.233 10 0 EEAELP COc1cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ccc1C ZINC000447731546 242309364 /nfs/dbraw/zinc/30/93/64/242309364.db2.gz UBAGAXQXPUZTSU-UHFFFAOYSA-N 2 2 341.459 2.182 10 0 EEAELP C[N@H+](CCNC(=O)NCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000069896855 203060681 /nfs/dbraw/zinc/06/06/81/203060681.db2.gz QVKJQXUEKJERSY-UHFFFAOYSA-N 2 2 333.480 2.283 10 0 EEAELP C[N@@H+](CCNC(=O)NCc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000069896855 203060684 /nfs/dbraw/zinc/06/06/84/203060684.db2.gz QVKJQXUEKJERSY-UHFFFAOYSA-N 2 2 333.480 2.283 10 0 EEAELP COC(=O)[C@@H]1C[C@@H](OC)CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346313890 284155603 /nfs/dbraw/zinc/15/56/03/284155603.db2.gz HIJHQKBXEYYFJS-ZFWWWQNUSA-N 2 2 335.429 2.086 10 0 EEAELP COC(=O)[C@@H]1C[C@@H](OC)CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346313890 284155604 /nfs/dbraw/zinc/15/56/04/284155604.db2.gz HIJHQKBXEYYFJS-ZFWWWQNUSA-N 2 2 335.429 2.086 10 0 EEAELP COCC[NH+](CCOC)[C@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042953705 204185448 /nfs/dbraw/zinc/18/54/48/204185448.db2.gz NMRSZVQGTQRFOY-WFASDCNBSA-N 2 2 345.281 2.432 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)[nH+]c2c1 ZINC000264281013 246285054 /nfs/dbraw/zinc/28/50/54/246285054.db2.gz JOTKCPXYLRKEGH-MRXNPFEDSA-N 2 2 327.432 2.022 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)[nH+]c2c1 ZINC000264281013 246285057 /nfs/dbraw/zinc/28/50/57/246285057.db2.gz JOTKCPXYLRKEGH-MRXNPFEDSA-N 2 2 327.432 2.022 10 0 EEAELP Cn1ncc(Br)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000494999564 247048594 /nfs/dbraw/zinc/04/85/94/247048594.db2.gz UXZDPAIFWNZZMU-WCQYABFASA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000494999564 247048599 /nfs/dbraw/zinc/04/85/99/247048599.db2.gz UXZDPAIFWNZZMU-WCQYABFASA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000494999564 247048601 /nfs/dbraw/zinc/04/86/01/247048601.db2.gz UXZDPAIFWNZZMU-WCQYABFASA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000494999564 247048605 /nfs/dbraw/zinc/04/86/05/247048605.db2.gz UXZDPAIFWNZZMU-WCQYABFASA-N 2 2 327.270 2.099 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000174779307 207058029 /nfs/dbraw/zinc/05/80/29/207058029.db2.gz WGPVFLGIFOYLJY-RDTXWAMCSA-N 2 2 346.475 2.246 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000174779307 207058032 /nfs/dbraw/zinc/05/80/32/207058032.db2.gz WGPVFLGIFOYLJY-RDTXWAMCSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000174779307 207058035 /nfs/dbraw/zinc/05/80/35/207058035.db2.gz WGPVFLGIFOYLJY-RDTXWAMCSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000174779307 207058039 /nfs/dbraw/zinc/05/80/39/207058039.db2.gz WGPVFLGIFOYLJY-RDTXWAMCSA-N 2 2 346.475 2.246 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177558452 207354942 /nfs/dbraw/zinc/35/49/42/207354942.db2.gz CTHOSCBBELYZJT-MRXNPFEDSA-N 2 2 330.436 2.042 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000270671929 256159403 /nfs/dbraw/zinc/15/94/03/256159403.db2.gz FYYJNMBZZRUWJR-NVXWUHKLSA-N 2 2 334.370 2.113 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)[C@H]1c1ccc(F)c(F)c1 ZINC000270671929 256159404 /nfs/dbraw/zinc/15/94/04/256159404.db2.gz FYYJNMBZZRUWJR-NVXWUHKLSA-N 2 2 334.370 2.113 10 0 EEAELP COc1ccc(OC)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000111230859 142354682 /nfs/dbraw/zinc/35/46/82/142354682.db2.gz GDGDKKSXUKWMKQ-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP COc1ccc(OC)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000111230859 142354685 /nfs/dbraw/zinc/35/46/85/142354685.db2.gz GDGDKKSXUKWMKQ-SFHVURJKSA-N 2 2 347.503 2.306 10 0 EEAELP CCCC[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000051180104 292132824 /nfs/dbraw/zinc/13/28/24/292132824.db2.gz AYSSCLUERJVPSB-UHFFFAOYSA-N 2 2 347.507 2.289 10 0 EEAELP CCCC[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000051180104 292132826 /nfs/dbraw/zinc/13/28/26/292132826.db2.gz AYSSCLUERJVPSB-UHFFFAOYSA-N 2 2 347.507 2.289 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)CCO1 ZINC000248543123 160350006 /nfs/dbraw/zinc/35/00/06/160350006.db2.gz CJNGPTCNNQKOBV-XLIONFOSSA-N 2 2 332.488 2.165 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)CCO1 ZINC000248543123 160350008 /nfs/dbraw/zinc/35/00/08/160350008.db2.gz CJNGPTCNNQKOBV-XLIONFOSSA-N 2 2 332.488 2.165 10 0 EEAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH+](C)C ZINC000121192902 292261918 /nfs/dbraw/zinc/26/19/18/292261918.db2.gz FOUQTVHXLIYYTR-MAUKXSAKSA-N 2 2 332.492 2.011 10 0 EEAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH+](C)C ZINC000121192902 292261919 /nfs/dbraw/zinc/26/19/19/292261919.db2.gz FOUQTVHXLIYYTR-MAUKXSAKSA-N 2 2 332.492 2.011 10 0 EEAELP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262944935 152343117 /nfs/dbraw/zinc/34/31/17/152343117.db2.gz JBTYQDLEPZSSMW-MRXNPFEDSA-N 2 2 337.414 2.286 10 0 EEAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000262261190 160447954 /nfs/dbraw/zinc/44/79/54/160447954.db2.gz RFMJKPHSLBLSRG-FCEWJHQRSA-N 2 2 340.427 2.343 10 0 EEAELP C[C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245202419 160230595 /nfs/dbraw/zinc/23/05/95/160230595.db2.gz SDQJALUYKYHRAX-RBSFLKMASA-N 2 2 327.432 2.145 10 0 EEAELP C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245202031 160230620 /nfs/dbraw/zinc/23/06/20/160230620.db2.gz OUJCRBGAAWPNTM-BZUAXINKSA-N 2 2 330.476 2.428 10 0 EEAELP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246307916 160272794 /nfs/dbraw/zinc/27/27/94/160272794.db2.gz YWLQCCPITGAGSD-DOTOQJQBSA-N 2 2 342.443 2.091 10 0 EEAELP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246307916 160272796 /nfs/dbraw/zinc/27/27/96/160272796.db2.gz YWLQCCPITGAGSD-DOTOQJQBSA-N 2 2 342.443 2.091 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000247529450 160327822 /nfs/dbraw/zinc/32/78/22/160327822.db2.gz ZRPANIJXFFVSMD-GJYPPUQNSA-N 2 2 329.488 2.278 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000247529450 160327824 /nfs/dbraw/zinc/32/78/24/160327824.db2.gz ZRPANIJXFFVSMD-GJYPPUQNSA-N 2 2 329.488 2.278 10 0 EEAELP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000247529450 160327825 /nfs/dbraw/zinc/32/78/25/160327825.db2.gz ZRPANIJXFFVSMD-GJYPPUQNSA-N 2 2 329.488 2.278 10 0 EEAELP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C1 ZINC000247529450 160327827 /nfs/dbraw/zinc/32/78/27/160327827.db2.gz ZRPANIJXFFVSMD-GJYPPUQNSA-N 2 2 329.488 2.278 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[NH+](C)C)c(C)c1 ZINC000342661051 161081304 /nfs/dbraw/zinc/08/13/04/161081304.db2.gz HRXOERBLHKPTNP-KRWDZBQOSA-N 2 2 329.448 2.102 10 0 EEAELP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC000344794117 161246354 /nfs/dbraw/zinc/24/63/54/161246354.db2.gz XMDLADAZFLVSFJ-SPYBWZPUSA-N 2 2 333.476 2.070 10 0 EEAELP COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)C2)c1 ZINC000344794117 161246355 /nfs/dbraw/zinc/24/63/55/161246355.db2.gz XMDLADAZFLVSFJ-SPYBWZPUSA-N 2 2 333.476 2.070 10 0 EEAELP OC[C@H]([NH2+]CCC[NH2+][C@@H](CO)c1ccsc1)c1ccsc1 ZINC000352031826 162037752 /nfs/dbraw/zinc/03/77/52/162037752.db2.gz HLFWTTCTTYKKCU-GJZGRUSLSA-N 2 2 326.487 2.146 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352398501 162121200 /nfs/dbraw/zinc/12/12/00/162121200.db2.gz OYIFMCQNACFYBR-BRWVUGGUSA-N 2 2 345.491 2.155 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000364682931 165231059 /nfs/dbraw/zinc/23/10/59/165231059.db2.gz DCICMTGGFHRNBO-GJZGRUSLSA-N 2 2 347.507 2.473 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000368799024 166129983 /nfs/dbraw/zinc/12/99/83/166129983.db2.gz VGGFTFKGYCNVGW-UHFFFAOYSA-N 2 2 338.455 2.085 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3ccccc3F)C2)CC1 ZINC000369276959 166226709 /nfs/dbraw/zinc/22/67/09/166226709.db2.gz JOYRVZXSHRINQD-OAHLLOKOSA-N 2 2 347.478 2.388 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3ccccc3F)C2)CC1 ZINC000369276959 166226713 /nfs/dbraw/zinc/22/67/13/166226713.db2.gz JOYRVZXSHRINQD-OAHLLOKOSA-N 2 2 347.478 2.388 10 0 EEAELP O=C1[C@H]([NH2+]Cc2cccc3[nH+]ccn32)CCN1Cc1ccc(F)cc1 ZINC000191761741 274051435 /nfs/dbraw/zinc/05/14/35/274051435.db2.gz OWRWTGLWHCBYEI-QGZVFWFLSA-N 2 2 338.386 2.364 10 0 EEAELP Cn1cc(C[NH+]2CCCC3(CCC[N@@H+](Cc4cnn(C)c4)C3)C2)cn1 ZINC000289481088 275119989 /nfs/dbraw/zinc/11/99/89/275119989.db2.gz OBPHOVZMARYLDM-UHFFFAOYSA-N 2 2 342.491 2.032 10 0 EEAELP Cn1cc(C[NH+]2CCCC3(CCC[N@H+](Cc4cnn(C)c4)C3)C2)cn1 ZINC000289481088 275119990 /nfs/dbraw/zinc/11/99/90/275119990.db2.gz OBPHOVZMARYLDM-UHFFFAOYSA-N 2 2 342.491 2.032 10 0 EEAELP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101731 278057662 /nfs/dbraw/zinc/05/76/62/278057662.db2.gz KZGUKJJRHRZNCG-QWHCGFSZSA-N 2 2 328.416 2.283 10 0 EEAELP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101731 278057663 /nfs/dbraw/zinc/05/76/63/278057663.db2.gz KZGUKJJRHRZNCG-QWHCGFSZSA-N 2 2 328.416 2.283 10 0 EEAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449398826 278371289 /nfs/dbraw/zinc/37/12/89/278371289.db2.gz ZAUXMNZUNOWZIE-JCYILVPMSA-N 2 2 340.508 2.323 10 0 EEAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000449398826 278371290 /nfs/dbraw/zinc/37/12/90/278371290.db2.gz ZAUXMNZUNOWZIE-JCYILVPMSA-N 2 2 340.508 2.323 10 0 EEAELP Cc1nc2[nH]ccc2c(N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000339057908 279109924 /nfs/dbraw/zinc/10/99/24/279109924.db2.gz IAQKFELLEWAUQD-HNNXBMFYSA-N 2 2 329.448 2.348 10 0 EEAELP Cn1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C(C)(C)C)n1 ZINC000180075015 294236071 /nfs/dbraw/zinc/23/60/71/294236071.db2.gz SGJKHGSKZAENMF-GOSISDBHSA-N 2 2 347.551 2.320 10 0 EEAELP Cn1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C(C)(C)C)n1 ZINC000180075015 294236074 /nfs/dbraw/zinc/23/60/74/294236074.db2.gz SGJKHGSKZAENMF-GOSISDBHSA-N 2 2 347.551 2.320 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]3)CC2)c(C)c1 ZINC000333347522 312133698 /nfs/dbraw/zinc/13/36/98/312133698.db2.gz ZPFJOBOZARTMAP-HNNXBMFYSA-N 2 2 344.459 2.168 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](CC)C[C@H]3C)cn2)CC1 ZINC000347182609 312273813 /nfs/dbraw/zinc/27/38/13/312273813.db2.gz BOIXCAJUIQZTHA-IEBWSBKVSA-N 3 2 345.535 2.043 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](CC)C[C@H]3C)cn2)CC1 ZINC000347182609 312273814 /nfs/dbraw/zinc/27/38/14/312273814.db2.gz BOIXCAJUIQZTHA-IEBWSBKVSA-N 3 2 345.535 2.043 10 0 EEAELP COC(=O)[C@@H]1CSCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414577634 313043025 /nfs/dbraw/zinc/04/30/25/313043025.db2.gz HMDMANACQBQZEF-LBPRGKRZSA-N 2 2 337.470 2.272 10 0 EEAELP COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414577634 313043028 /nfs/dbraw/zinc/04/30/28/313043028.db2.gz HMDMANACQBQZEF-LBPRGKRZSA-N 2 2 337.470 2.272 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000414732132 313071629 /nfs/dbraw/zinc/07/16/29/313071629.db2.gz FZYICRMLIFIZDO-WOPDTQHZSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000414732132 313071631 /nfs/dbraw/zinc/07/16/31/313071631.db2.gz FZYICRMLIFIZDO-WOPDTQHZSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417059703 313410172 /nfs/dbraw/zinc/41/01/72/313410172.db2.gz AIMOJKJCPURQFG-OAHLLOKOSA-N 2 2 329.448 2.248 10 0 EEAELP COCCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cn1 ZINC000527809631 317266963 /nfs/dbraw/zinc/26/69/63/317266963.db2.gz MMYIQFFAYSLVLO-GOSISDBHSA-N 2 2 332.492 2.271 10 0 EEAELP COCCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cn1 ZINC000527809631 317266965 /nfs/dbraw/zinc/26/69/65/317266965.db2.gz MMYIQFFAYSLVLO-GOSISDBHSA-N 2 2 332.492 2.271 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000541785561 318109595 /nfs/dbraw/zinc/10/95/95/318109595.db2.gz BWLXFUNRXQJGMI-INIZCTEOSA-N 2 2 347.438 2.242 10 0 EEAELP Brc1ccn2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)nc2c1 ZINC000563658091 319034486 /nfs/dbraw/zinc/03/44/86/319034486.db2.gz UPUOMOPLMRBGGJ-LLVKDONJSA-N 2 2 346.232 2.467 10 0 EEAELP Brc1ccn2cc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)nc2c1 ZINC000563658091 319034489 /nfs/dbraw/zinc/03/44/89/319034489.db2.gz UPUOMOPLMRBGGJ-LLVKDONJSA-N 2 2 346.232 2.467 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000564667144 319099894 /nfs/dbraw/zinc/09/98/94/319099894.db2.gz RTCTZJJZNJXEGP-HNNXBMFYSA-N 2 2 331.460 2.108 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000564667144 319099897 /nfs/dbraw/zinc/09/98/97/319099897.db2.gz RTCTZJJZNJXEGP-HNNXBMFYSA-N 2 2 331.460 2.108 10 0 EEAELP Cn1nccc1[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961780 319133051 /nfs/dbraw/zinc/13/30/51/319133051.db2.gz YWUAZRIVXJKRTJ-ROUUACIJSA-N 2 2 340.471 2.240 10 0 EEAELP Cn1nccc1[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961780 319133054 /nfs/dbraw/zinc/13/30/54/319133054.db2.gz YWUAZRIVXJKRTJ-ROUUACIJSA-N 2 2 340.471 2.240 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564986061 319135937 /nfs/dbraw/zinc/13/59/37/319135937.db2.gz DIDXHSUIXJJERW-KHYOSLBOSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564986061 319135939 /nfs/dbraw/zinc/13/59/39/319135939.db2.gz DIDXHSUIXJJERW-KHYOSLBOSA-N 2 2 333.451 2.467 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000565581829 319195158 /nfs/dbraw/zinc/19/51/58/319195158.db2.gz HDEAOCVFTRBWMG-UHFFFAOYSA-N 2 2 333.480 2.357 10 0 EEAELP C[C@@H](OC[C@H](O)C[NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000567043355 319342517 /nfs/dbraw/zinc/34/25/17/319342517.db2.gz RREMPYWUCSFBKG-CXAGYDPISA-N 2 2 337.851 2.344 10 0 EEAELP O=C(NCC1CC[NH2+]CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574787559 320058082 /nfs/dbraw/zinc/05/80/82/320058082.db2.gz XDQBITVVUFPWPU-INIZCTEOSA-N 2 2 345.491 2.108 10 0 EEAELP C[C@H]1C[NH+](Cc2cccc(NC(=O)CC(F)(F)C[NH3+])c2)C[C@H](C)O1 ZINC000576355778 320165255 /nfs/dbraw/zinc/16/52/55/320165255.db2.gz IMGZGWRWEMUPDE-STQMWFEESA-N 2 2 341.402 2.218 10 0 EEAELP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[NH+]1CC(C)(C)C1 ZINC000580089927 323992668 /nfs/dbraw/zinc/99/26/68/323992668.db2.gz FGKNQFZZDJKWSL-UHFFFAOYSA-N 2 2 339.430 2.197 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580462235 324069011 /nfs/dbraw/zinc/06/90/11/324069011.db2.gz ULFQMHBCJCBJGQ-RDJZCZTQSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580462235 324069013 /nfs/dbraw/zinc/06/90/13/324069013.db2.gz ULFQMHBCJCBJGQ-RDJZCZTQSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580462235 324069015 /nfs/dbraw/zinc/06/90/15/324069015.db2.gz ULFQMHBCJCBJGQ-RDJZCZTQSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580462235 324069019 /nfs/dbraw/zinc/06/90/19/324069019.db2.gz ULFQMHBCJCBJGQ-RDJZCZTQSA-N 2 2 326.868 2.068 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000581260101 324217062 /nfs/dbraw/zinc/21/70/62/324217062.db2.gz YUYBMOGHPZJMQU-HNNXBMFYSA-N 2 2 335.517 2.418 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000581260101 324217069 /nfs/dbraw/zinc/21/70/69/324217069.db2.gz YUYBMOGHPZJMQU-HNNXBMFYSA-N 2 2 335.517 2.418 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)n1C ZINC000582916202 324556718 /nfs/dbraw/zinc/55/67/18/324556718.db2.gz SZLHUKOFXOOSKT-NVXWUHKLSA-N 2 2 332.835 2.444 10 0 EEAELP Cc1nc(NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000519055352 448736427 /nfs/dbraw/zinc/73/64/27/448736427.db2.gz RVWZIBDYYWAWDJ-MRXNPFEDSA-N 2 2 326.448 2.323 10 0 EEAELP Cc1nc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC000519055352 448736431 /nfs/dbraw/zinc/73/64/31/448736431.db2.gz RVWZIBDYYWAWDJ-MRXNPFEDSA-N 2 2 326.448 2.323 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@@H]2CCCC[N@H+](C)C2)nc(C)[nH+]1 ZINC000601201439 449747059 /nfs/dbraw/zinc/74/70/59/449747059.db2.gz ORDGPASQZCWGSJ-HNNXBMFYSA-N 2 2 334.464 2.425 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)nc(C)[nH+]1 ZINC000601201439 449747064 /nfs/dbraw/zinc/74/70/64/449747064.db2.gz ORDGPASQZCWGSJ-HNNXBMFYSA-N 2 2 334.464 2.425 10 0 EEAELP C[C@@H](CCNC(=O)NCc1ccc[nH+]c1N(C)C)[NH+]1CCCCC1 ZINC000184832743 465028530 /nfs/dbraw/zinc/02/85/30/465028530.db2.gz MGOPGOPUMDKRJV-HNNXBMFYSA-N 2 2 333.480 2.211 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351612801 465250948 /nfs/dbraw/zinc/25/09/48/465250948.db2.gz YCDYZVNZIAHEBW-AUUYWEPGSA-N 3 2 328.460 2.286 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351612801 465250949 /nfs/dbraw/zinc/25/09/49/465250949.db2.gz YCDYZVNZIAHEBW-AUUYWEPGSA-N 3 2 328.460 2.286 10 0 EEAELP CC1(C)NC(=[NH2+])NC(=[NH2+])N1OCCCOc1ccccc1Cl ZINC000045210473 462569006 /nfs/dbraw/zinc/56/90/06/462569006.db2.gz KQWOLTKACMOTMA-UHFFFAOYSA-N 2 2 325.800 2.141 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(COC)cc2)[C@H](C)C1 ZINC000079461920 463217548 /nfs/dbraw/zinc/21/75/48/463217548.db2.gz OOIUTKRTZIXFHO-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(COC)cc2)[C@H](C)C1 ZINC000079461920 463217554 /nfs/dbraw/zinc/21/75/54/463217554.db2.gz OOIUTKRTZIXFHO-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(COC)cc2)[C@H](C)C1 ZINC000079461920 463217559 /nfs/dbraw/zinc/21/75/59/463217559.db2.gz OOIUTKRTZIXFHO-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(COC)cc2)[C@H](C)C1 ZINC000079461920 463217565 /nfs/dbraw/zinc/21/75/65/463217565.db2.gz OOIUTKRTZIXFHO-APWZRJJASA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081094754 463395002 /nfs/dbraw/zinc/39/50/02/463395002.db2.gz SNLMDHDXFTWVGK-HIFRSBDPSA-N 2 2 333.432 2.016 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081094754 463395008 /nfs/dbraw/zinc/39/50/08/463395008.db2.gz SNLMDHDXFTWVGK-HIFRSBDPSA-N 2 2 333.432 2.016 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081094754 463395011 /nfs/dbraw/zinc/39/50/11/463395011.db2.gz SNLMDHDXFTWVGK-HIFRSBDPSA-N 2 2 333.432 2.016 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@H](C)C1 ZINC000081094754 463395017 /nfs/dbraw/zinc/39/50/17/463395017.db2.gz SNLMDHDXFTWVGK-HIFRSBDPSA-N 2 2 333.432 2.016 10 0 EEAELP Cc1cnn(C[C@H](C)[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000071874987 463449283 /nfs/dbraw/zinc/44/92/83/463449283.db2.gz SMKBLHWMWBMPAE-DLBZAZTESA-N 2 2 341.459 2.197 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@H]1CCC[NH+](C)C1 ZINC000152346500 463678942 /nfs/dbraw/zinc/67/89/42/463678942.db2.gz KMYUHTSZXFOWIF-KBPBESRZSA-N 2 2 335.414 2.061 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@H]1CCC[NH+](C)C1 ZINC000152346500 463678943 /nfs/dbraw/zinc/67/89/43/463678943.db2.gz KMYUHTSZXFOWIF-KBPBESRZSA-N 2 2 335.414 2.061 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000152346500 463678946 /nfs/dbraw/zinc/67/89/46/463678946.db2.gz KMYUHTSZXFOWIF-KBPBESRZSA-N 2 2 335.414 2.061 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152346500 463678949 /nfs/dbraw/zinc/67/89/49/463678949.db2.gz KMYUHTSZXFOWIF-KBPBESRZSA-N 2 2 335.414 2.061 10 0 EEAELP C[NH+](C)CC[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C(C)(C)C ZINC000177527778 463729257 /nfs/dbraw/zinc/72/92/57/463729257.db2.gz LYMLZCZMBFWPCB-HZPDHXFCSA-N 2 2 335.496 2.424 10 0 EEAELP C[NH+](C)C1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000193767953 463739188 /nfs/dbraw/zinc/73/91/88/463739188.db2.gz WBPDXDDRBKBBHB-UHFFFAOYSA-N 2 2 346.475 2.077 10 0 EEAELP C[C@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000185039442 463741213 /nfs/dbraw/zinc/74/12/13/463741213.db2.gz MOQYVVIHNGFPAR-GUYCJALGSA-N 2 2 326.404 2.355 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@@H]1n1cc[nH+]c1 ZINC000185039442 463741217 /nfs/dbraw/zinc/74/12/17/463741217.db2.gz MOQYVVIHNGFPAR-GUYCJALGSA-N 2 2 326.404 2.355 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000185340309 463804610 /nfs/dbraw/zinc/80/46/10/463804610.db2.gz LMWJKRWZUFRQJT-UHFFFAOYSA-N 2 2 329.448 2.025 10 0 EEAELP Cc1nc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)oc1C ZINC000261686845 463827517 /nfs/dbraw/zinc/82/75/17/463827517.db2.gz CUTKZTQAJUUNCE-OAHLLOKOSA-N 2 2 329.448 2.169 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000261793642 463862943 /nfs/dbraw/zinc/86/29/43/463862943.db2.gz KNQXXEFYTAIGIT-OAHLLOKOSA-N 2 2 335.517 2.344 10 0 EEAELP CC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745558 463960021 /nfs/dbraw/zinc/96/00/21/463960021.db2.gz BZQPOPGRLBLWQX-GOSISDBHSA-N 2 2 340.427 2.497 10 0 EEAELP CC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745558 463960025 /nfs/dbraw/zinc/96/00/25/463960025.db2.gz BZQPOPGRLBLWQX-GOSISDBHSA-N 2 2 340.427 2.497 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC[NH2+]1 ZINC000262355195 464009571 /nfs/dbraw/zinc/00/95/71/464009571.db2.gz JFWZFECBUFPRDF-RDJZCZTQSA-N 2 2 326.444 2.130 10 0 EEAELP C[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000263116870 464058520 /nfs/dbraw/zinc/05/85/20/464058520.db2.gz ARNYVKVKJNDGIA-HOCLYGCPSA-N 2 2 337.414 2.107 10 0 EEAELP C[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000263116870 464058525 /nfs/dbraw/zinc/05/85/25/464058525.db2.gz ARNYVKVKJNDGIA-HOCLYGCPSA-N 2 2 337.414 2.107 10 0 EEAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263194699 464059737 /nfs/dbraw/zinc/05/97/37/464059737.db2.gz IHKOGLQIHQWVRP-BXUZGUMPSA-N 2 2 329.425 2.226 10 0 EEAELP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)C1CCOCC1 ZINC000187793241 464162960 /nfs/dbraw/zinc/16/29/60/464162960.db2.gz XMDWXUIGLAWMPJ-HXUWFJFHSA-N 2 2 348.487 2.050 10 0 EEAELP O=C(NCCC[NH+]1CCCCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272277993 464547186 /nfs/dbraw/zinc/54/71/86/464547186.db2.gz ZJVMULWMHKSWBH-UHFFFAOYSA-N 2 2 327.432 2.263 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000190491639 464657943 /nfs/dbraw/zinc/65/79/43/464657943.db2.gz MLLNAKDCZZAJOJ-KRWDZBQOSA-N 2 2 348.491 2.360 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000190491639 464657945 /nfs/dbraw/zinc/65/79/45/464657945.db2.gz MLLNAKDCZZAJOJ-KRWDZBQOSA-N 2 2 348.491 2.360 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000190491639 464657948 /nfs/dbraw/zinc/65/79/48/464657948.db2.gz MLLNAKDCZZAJOJ-KRWDZBQOSA-N 2 2 348.491 2.360 10 0 EEAELP C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248641750 464778196 /nfs/dbraw/zinc/77/81/96/464778196.db2.gz CRKZZEMBPLWESN-WBVHZDCISA-N 2 2 332.492 2.139 10 0 EEAELP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248641750 464778201 /nfs/dbraw/zinc/77/82/01/464778201.db2.gz CRKZZEMBPLWESN-WBVHZDCISA-N 2 2 332.492 2.139 10 0 EEAELP C[C@H](C(=O)NC(C)(C)C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248641750 464778204 /nfs/dbraw/zinc/77/82/04/464778204.db2.gz CRKZZEMBPLWESN-WBVHZDCISA-N 2 2 332.492 2.139 10 0 EEAELP C[C@H](C(=O)NC(C)(C)C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248641750 464778208 /nfs/dbraw/zinc/77/82/08/464778208.db2.gz CRKZZEMBPLWESN-WBVHZDCISA-N 2 2 332.492 2.139 10 0 EEAELP CC1CC[NH+](CCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177366847 464996156 /nfs/dbraw/zinc/99/61/56/464996156.db2.gz WYLBCLNMTWBCNC-QGZVFWFLSA-N 2 2 333.480 2.179 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccsc1 ZINC000351846791 465396288 /nfs/dbraw/zinc/39/62/88/465396288.db2.gz WDOBCIALPFCUGC-MRXNPFEDSA-N 2 2 341.440 2.362 10 0 EEAELP c1[nH+]cn2cc(CNc3cc(N4CCSCC4)nc[nH+]3)ccc12 ZINC000299031909 465570488 /nfs/dbraw/zinc/57/04/88/465570488.db2.gz TWIMXMCJWVJWPX-UHFFFAOYSA-N 2 2 326.429 2.290 10 0 EEAELP c1[nH+]cn2cc(CNc3cc(N4CCSCC4)[nH+]cn3)ccc12 ZINC000299031909 465570492 /nfs/dbraw/zinc/57/04/92/465570492.db2.gz TWIMXMCJWVJWPX-UHFFFAOYSA-N 2 2 326.429 2.290 10 0 EEAELP O=C(CC[NH2+][C@@H]1CC[C@H]1C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000338000941 465741321 /nfs/dbraw/zinc/74/13/21/465741321.db2.gz RRJLWJDMECITDK-ZWKOTPCHSA-N 2 2 342.487 2.289 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348754298 465771896 /nfs/dbraw/zinc/77/18/96/465771896.db2.gz KPXNQTYHSSTVAP-IMFGXOCKSA-N 2 2 340.471 2.053 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348754298 465771909 /nfs/dbraw/zinc/77/19/09/465771909.db2.gz KPXNQTYHSSTVAP-IMFGXOCKSA-N 2 2 340.471 2.053 10 0 EEAELP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353300014 465780001 /nfs/dbraw/zinc/78/00/01/465780001.db2.gz OVUGEPNDXCDNJR-CQSZACIVSA-N 2 2 327.432 2.193 10 0 EEAELP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353300014 465780008 /nfs/dbraw/zinc/78/00/08/465780008.db2.gz OVUGEPNDXCDNJR-CQSZACIVSA-N 2 2 327.432 2.193 10 0 EEAELP CCc1cc(=O)[nH]c(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299743959 465879724 /nfs/dbraw/zinc/87/97/24/465879724.db2.gz QDMZVTLQDFZASS-CQSZACIVSA-N 2 2 327.432 2.267 10 0 EEAELP CCc1cc(=O)[nH]c(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000299743959 465879731 /nfs/dbraw/zinc/87/97/31/465879731.db2.gz QDMZVTLQDFZASS-CQSZACIVSA-N 2 2 327.432 2.267 10 0 EEAELP O=C([C@@H]1COCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353453723 465895110 /nfs/dbraw/zinc/89/51/10/465895110.db2.gz ZJXGQHFKMSUJPV-MOPGFXCFSA-N 2 2 349.519 2.107 10 0 EEAELP O=C([C@@H]1COCC[N@H+]1C1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353453723 465895118 /nfs/dbraw/zinc/89/51/18/465895118.db2.gz ZJXGQHFKMSUJPV-MOPGFXCFSA-N 2 2 349.519 2.107 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000346218494 466000995 /nfs/dbraw/zinc/00/09/95/466000995.db2.gz MLDDHUMBTBLKME-UHFFFAOYSA-N 2 2 349.438 2.324 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000346218494 466000999 /nfs/dbraw/zinc/00/09/99/466000999.db2.gz MLDDHUMBTBLKME-UHFFFAOYSA-N 2 2 349.438 2.324 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]2CCC[C@H]21 ZINC000353686493 466066372 /nfs/dbraw/zinc/06/63/72/466066372.db2.gz XSVCDAVWRSMULB-HZSPNIEDSA-N 2 2 328.503 2.114 10 0 EEAELP C[C@H]1C[N@@H+]([C@H](CNc2cc[nH+]cc2C(N)=O)c2cccs2)CCO1 ZINC000302007526 466078539 /nfs/dbraw/zinc/07/85/39/466078539.db2.gz AWRLOBBFHQAICU-SWLSCSKDSA-N 2 2 346.456 2.116 10 0 EEAELP C[C@H]1C[N@H+]([C@H](CNc2cc[nH+]cc2C(N)=O)c2cccs2)CCO1 ZINC000302007526 466078547 /nfs/dbraw/zinc/07/85/47/466078547.db2.gz AWRLOBBFHQAICU-SWLSCSKDSA-N 2 2 346.456 2.116 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3cccc4cccnc43)CC2)cc[nH+]1 ZINC000353743311 466112629 /nfs/dbraw/zinc/11/26/29/466112629.db2.gz CJZUKDHEUIKSBX-UHFFFAOYSA-N 2 2 348.454 2.413 10 0 EEAELP CCOC(=O)c1cccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)n1 ZINC000600136919 468471342 /nfs/dbraw/zinc/47/13/42/468471342.db2.gz FZCRJIZSDZUREU-UHFFFAOYSA-N 2 2 349.475 2.237 10 0 EEAELP COCCN1CC[C@H]([NH2+][C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000346612536 466115535 /nfs/dbraw/zinc/11/55/35/466115535.db2.gz ZPNFUVYBRMWPDQ-PMACEKPBSA-N 2 2 333.520 2.453 10 0 EEAELP COCCN1CC[C@H]([NH2+][C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000346612536 466115538 /nfs/dbraw/zinc/11/55/38/466115538.db2.gz ZPNFUVYBRMWPDQ-PMACEKPBSA-N 2 2 333.520 2.453 10 0 EEAELP CC[C@H](CO)[NH+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302671489 466166210 /nfs/dbraw/zinc/16/62/10/466166210.db2.gz RQHOODQWRAZBCO-OAHLLOKOSA-N 2 2 329.444 2.445 10 0 EEAELP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1[nH+]cc(C)c(OC)c1C ZINC000372279735 466271665 /nfs/dbraw/zinc/27/16/65/466271665.db2.gz ASXSYPJLFFAQJV-LSDHHAIUSA-N 2 2 336.432 2.250 10 0 EEAELP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1[nH+]cc(C)c(OC)c1C ZINC000372279735 466271669 /nfs/dbraw/zinc/27/16/69/466271669.db2.gz ASXSYPJLFFAQJV-LSDHHAIUSA-N 2 2 336.432 2.250 10 0 EEAELP COC[C@]1(C(=O)OC)CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000597219382 468483265 /nfs/dbraw/zinc/48/32/65/468483265.db2.gz BVBKUHYWZSPPRT-INIZCTEOSA-N 2 2 335.429 2.088 10 0 EEAELP COC[C@]1(C(=O)OC)CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000597219382 468483268 /nfs/dbraw/zinc/48/32/68/468483268.db2.gz BVBKUHYWZSPPRT-INIZCTEOSA-N 2 2 335.429 2.088 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000358067237 466427321 /nfs/dbraw/zinc/42/73/21/466427321.db2.gz XAKDEHLVIMBVLN-KXBFYZLASA-N 2 2 327.472 2.364 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000358067237 466427327 /nfs/dbraw/zinc/42/73/27/466427327.db2.gz XAKDEHLVIMBVLN-KXBFYZLASA-N 2 2 327.472 2.364 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000310280843 466511141 /nfs/dbraw/zinc/51/11/41/466511141.db2.gz WJUGWMFBGUAXAD-CADBVGFASA-N 2 2 348.512 2.064 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000310280843 466511145 /nfs/dbraw/zinc/51/11/45/466511145.db2.gz WJUGWMFBGUAXAD-CADBVGFASA-N 2 2 348.512 2.064 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000372877112 466626689 /nfs/dbraw/zinc/62/66/89/466626689.db2.gz CTPCGMAYUJHVGR-QGZVFWFLSA-N 2 2 347.507 2.412 10 0 EEAELP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417078784 466772863 /nfs/dbraw/zinc/77/28/63/466772863.db2.gz QKTRKNDDYXJZEY-QAPCUYQASA-N 2 2 341.459 2.343 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000376280947 466903223 /nfs/dbraw/zinc/90/32/23/466903223.db2.gz JIKJKEZEINGLPM-QLFBSQMISA-N 2 2 333.480 2.083 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000376280947 466903226 /nfs/dbraw/zinc/90/32/26/466903226.db2.gz JIKJKEZEINGLPM-QLFBSQMISA-N 2 2 333.480 2.083 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983086 467010106 /nfs/dbraw/zinc/01/01/06/467010106.db2.gz LNJXUNQTYYNAJU-GJZGRUSLSA-N 2 2 342.846 2.133 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)NCC[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983086 467010109 /nfs/dbraw/zinc/01/01/09/467010109.db2.gz LNJXUNQTYYNAJU-GJZGRUSLSA-N 2 2 342.846 2.133 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418559078 467128847 /nfs/dbraw/zinc/12/88/47/467128847.db2.gz QPKAXLFESJXZGG-CMODXEBXSA-N 2 2 342.487 2.025 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000432681323 467258179 /nfs/dbraw/zinc/25/81/79/467258179.db2.gz LXJIINHLXRGSPN-UHFFFAOYSA-N 2 2 336.399 2.138 10 0 EEAELP O=C(CC[NH2+][C@H]1CC2CCC1CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000432999103 467282966 /nfs/dbraw/zinc/28/29/66/467282966.db2.gz BIQTWGBKDNGPDC-ABHNRTSZSA-N 2 2 342.487 2.289 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351620 467374037 /nfs/dbraw/zinc/37/40/37/467374037.db2.gz AAGHIQWQVMZXPJ-RDTXWAMCSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351620 467374038 /nfs/dbraw/zinc/37/40/38/467374038.db2.gz AAGHIQWQVMZXPJ-RDTXWAMCSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386729 467389993 /nfs/dbraw/zinc/38/99/93/467389993.db2.gz VMAYSLSOYAQPQA-BEFAXECRSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386729 467389995 /nfs/dbraw/zinc/38/99/95/467389995.db2.gz VMAYSLSOYAQPQA-BEFAXECRSA-N 2 2 333.451 2.248 10 0 EEAELP COC1([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CCOCC1 ZINC000453169109 467466305 /nfs/dbraw/zinc/46/63/05/467466305.db2.gz FVRKGQFSIIZLAG-WBVHZDCISA-N 2 2 348.491 2.218 10 0 EEAELP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000453254844 467471147 /nfs/dbraw/zinc/47/11/47/467471147.db2.gz FEZCYRJSWQFNBQ-FUHWJXTLSA-N 2 2 336.476 2.209 10 0 EEAELP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000453254844 467471151 /nfs/dbraw/zinc/47/11/51/467471151.db2.gz FEZCYRJSWQFNBQ-FUHWJXTLSA-N 2 2 336.476 2.209 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccnn1-c1ccccc1 ZINC000453258589 467471683 /nfs/dbraw/zinc/47/16/83/467471683.db2.gz HWSUAKWGHFKQMB-FUHWJXTLSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccnn1-c1ccccc1 ZINC000453258589 467471688 /nfs/dbraw/zinc/47/16/88/467471688.db2.gz HWSUAKWGHFKQMB-FUHWJXTLSA-N 2 2 328.460 2.370 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc(Cl)c1OC ZINC000449388555 467635768 /nfs/dbraw/zinc/63/57/68/467635768.db2.gz ALEGXOZJCSNOJD-CQSZACIVSA-N 2 2 342.867 2.294 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc(Cl)c1OC ZINC000449388555 467635769 /nfs/dbraw/zinc/63/57/69/467635769.db2.gz ALEGXOZJCSNOJD-CQSZACIVSA-N 2 2 342.867 2.294 10 0 EEAELP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389253 467635862 /nfs/dbraw/zinc/63/58/62/467635862.db2.gz CHULRVUXIMTJBB-LJQANCHMSA-N 2 2 328.460 2.117 10 0 EEAELP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389253 467635864 /nfs/dbraw/zinc/63/58/64/467635864.db2.gz CHULRVUXIMTJBB-LJQANCHMSA-N 2 2 328.460 2.117 10 0 EEAELP CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OCC ZINC000449392814 467636844 /nfs/dbraw/zinc/63/68/44/467636844.db2.gz LAXMMVPCJSLHLL-QGZVFWFLSA-N 2 2 336.476 2.420 10 0 EEAELP CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OCC ZINC000449392814 467636846 /nfs/dbraw/zinc/63/68/46/467636846.db2.gz LAXMMVPCJSLHLL-QGZVFWFLSA-N 2 2 336.476 2.420 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459375071 467956502 /nfs/dbraw/zinc/95/65/02/467956502.db2.gz JQNZYTVCELTEAU-KRWDZBQOSA-N 2 2 342.443 2.383 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459375071 467956506 /nfs/dbraw/zinc/95/65/06/467956506.db2.gz JQNZYTVCELTEAU-KRWDZBQOSA-N 2 2 342.443 2.383 10 0 EEAELP CCc1ccc([C@H](C[NH+]2CCOCC2)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216099 467963988 /nfs/dbraw/zinc/96/39/88/467963988.db2.gz MNJVHDWZYXOACU-VQTJNVASSA-N 2 2 343.515 2.497 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000531378621 468048443 /nfs/dbraw/zinc/04/84/43/468048443.db2.gz UZOCSTDCSUAFTR-QGBMMCOCSA-N 2 2 333.520 2.342 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000531378621 468048446 /nfs/dbraw/zinc/04/84/46/468048446.db2.gz UZOCSTDCSUAFTR-QGBMMCOCSA-N 2 2 333.520 2.342 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[NH+]1C ZINC000531378621 468048450 /nfs/dbraw/zinc/04/84/50/468048450.db2.gz UZOCSTDCSUAFTR-QGBMMCOCSA-N 2 2 333.520 2.342 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[NH+]1C ZINC000531378621 468048453 /nfs/dbraw/zinc/04/84/53/468048453.db2.gz UZOCSTDCSUAFTR-QGBMMCOCSA-N 2 2 333.520 2.342 10 0 EEAELP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000594506888 468611342 /nfs/dbraw/zinc/61/13/42/468611342.db2.gz GZDNYKYIBNATLU-HYVNUMGLSA-N 2 2 338.492 2.340 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000594505869 468611497 /nfs/dbraw/zinc/61/14/97/468611497.db2.gz DEUHAVWQBNRDGU-HKUYNNGSSA-N 2 2 346.471 2.287 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCC2 ZINC000594505869 468611501 /nfs/dbraw/zinc/61/15/01/468611501.db2.gz DEUHAVWQBNRDGU-HKUYNNGSSA-N 2 2 346.471 2.287 10 0 EEAELP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000570797572 468693233 /nfs/dbraw/zinc/69/32/33/468693233.db2.gz AMZRBRGZFYMKEO-KBPBESRZSA-N 2 2 339.430 2.434 10 0 EEAELP CCC[NH2+][C@@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000570797572 468693234 /nfs/dbraw/zinc/69/32/34/468693234.db2.gz AMZRBRGZFYMKEO-KBPBESRZSA-N 2 2 339.430 2.434 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000594923296 468722560 /nfs/dbraw/zinc/72/25/60/468722560.db2.gz IKIHRPQDJDBCTD-DJIMGWMZSA-N 2 2 331.460 2.356 10 0 EEAELP Cc1c[nH+]ccc1CC[NH2+]Cc1cn(C)nc1C(=O)OC(C)(C)C ZINC000585117628 468980192 /nfs/dbraw/zinc/98/01/92/468980192.db2.gz OHCUFXKUORGQRP-UHFFFAOYSA-N 2 2 330.432 2.411 10 0 EEAELP C[N@@H+]1CCO[C@@H](CSCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000573322950 469107440 /nfs/dbraw/zinc/10/74/40/469107440.db2.gz LPDQCXHMIWCVDN-GOSISDBHSA-N 2 2 336.501 2.083 10 0 EEAELP C[N@H+]1CCO[C@@H](CSCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000573322950 469107449 /nfs/dbraw/zinc/10/74/49/469107449.db2.gz LPDQCXHMIWCVDN-GOSISDBHSA-N 2 2 336.501 2.083 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573365427 469116526 /nfs/dbraw/zinc/11/65/26/469116526.db2.gz XGVCVYDAYXLUSG-ILXRZTDVSA-N 2 2 327.831 2.468 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573365427 469116533 /nfs/dbraw/zinc/11/65/33/469116533.db2.gz XGVCVYDAYXLUSG-ILXRZTDVSA-N 2 2 327.831 2.468 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)n1C ZINC000596063270 469134725 /nfs/dbraw/zinc/13/47/25/469134725.db2.gz KJVMSSGLRIXUPM-HNNXBMFYSA-N 2 2 336.480 2.334 10 0 EEAELP CN(C(=O)C[NH+]1CC(C)(C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000622407016 469435343 /nfs/dbraw/zinc/43/53/43/469435343.db2.gz GHEXQSVFGJGJAQ-GOSISDBHSA-N 2 2 329.488 2.451 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629384629 469526400 /nfs/dbraw/zinc/52/64/00/469526400.db2.gz AVEBVYZHODRVPO-UHFFFAOYSA-N 2 2 328.460 2.152 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629384629 469526404 /nfs/dbraw/zinc/52/64/04/469526404.db2.gz AVEBVYZHODRVPO-UHFFFAOYSA-N 2 2 328.460 2.152 10 0 EEAELP CC1(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000623262316 469600936 /nfs/dbraw/zinc/60/09/36/469600936.db2.gz WYXHBRBSCKDOKT-QGZVFWFLSA-N 2 2 338.455 2.226 10 0 EEAELP C[NH+]1CCN(Cc2ccc(C(=O)Nc3ccc4[nH+]ccn4c3)cc2)CC1 ZINC000606533374 469617372 /nfs/dbraw/zinc/61/73/72/469617372.db2.gz YAJSJPCTVBVATP-UHFFFAOYSA-N 2 2 349.438 2.334 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OC1CC1 ZINC000623535660 469687037 /nfs/dbraw/zinc/68/70/37/469687037.db2.gz AYHKOSWFZRROMP-MRXNPFEDSA-N 2 2 334.460 2.173 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OC1CC1 ZINC000623535660 469687042 /nfs/dbraw/zinc/68/70/42/469687042.db2.gz AYHKOSWFZRROMP-MRXNPFEDSA-N 2 2 334.460 2.173 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)CC2 ZINC000623710106 469739757 /nfs/dbraw/zinc/73/97/57/469739757.db2.gz USFZQXUTKGGHLQ-QGZVFWFLSA-N 2 2 326.444 2.132 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000617768201 469798757 /nfs/dbraw/zinc/79/87/57/469798757.db2.gz UDBVCDBOVKCBHZ-UHFFFAOYSA-N 2 2 336.867 2.435 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2cc(Cl)ccc2[nH]1 ZINC000617768201 469798762 /nfs/dbraw/zinc/79/87/62/469798762.db2.gz UDBVCDBOVKCBHZ-UHFFFAOYSA-N 2 2 336.867 2.435 10 0 EEAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624228120 469881351 /nfs/dbraw/zinc/88/13/51/469881351.db2.gz IWTJWBJAHAINPQ-SMDDNHRTSA-N 2 2 345.256 2.175 10 0 EEAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624228120 469881355 /nfs/dbraw/zinc/88/13/55/469881355.db2.gz IWTJWBJAHAINPQ-SMDDNHRTSA-N 2 2 345.256 2.175 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](c1nc([C@H]3C[N@@H+]4CCCC[C@@H]4CO3)no1)CC2 ZINC000624552365 469975028 /nfs/dbraw/zinc/97/50/28/469975028.db2.gz FAIJLWGEQQWNGT-RBSFLKMASA-N 2 2 343.431 2.230 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](c1nc([C@H]3C[N@H+]4CCCC[C@@H]4CO3)no1)CC2 ZINC000624552365 469975031 /nfs/dbraw/zinc/97/50/31/469975031.db2.gz FAIJLWGEQQWNGT-RBSFLKMASA-N 2 2 343.431 2.230 10 0 EEAELP CC1CC[NH+](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630740919 469975723 /nfs/dbraw/zinc/97/57/23/469975723.db2.gz KVEMRUHUHCLKHN-UHFFFAOYSA-N 2 2 326.444 2.263 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccc(Cl)cc43)C2)CC1 ZINC000631259307 470104829 /nfs/dbraw/zinc/10/48/29/470104829.db2.gz PKCQYJSFIHDXHR-CRAIPNDOSA-N 2 2 347.890 2.264 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H]3Cc4ccc(Cl)cc43)C2)CC1 ZINC000631259307 470104831 /nfs/dbraw/zinc/10/48/31/470104831.db2.gz PKCQYJSFIHDXHR-CRAIPNDOSA-N 2 2 347.890 2.264 10 0 EEAELP C[C@@H]1C[N@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631839850 470186765 /nfs/dbraw/zinc/18/67/65/470186765.db2.gz LRCWPWFVFVAIHJ-UKRRQHHQSA-N 2 2 344.484 2.100 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2csc(CNC(=O)c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000631839850 470186766 /nfs/dbraw/zinc/18/67/66/470186766.db2.gz LRCWPWFVFVAIHJ-UKRRQHHQSA-N 2 2 344.484 2.100 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000631842449 470187159 /nfs/dbraw/zinc/18/71/59/470187159.db2.gz AMQLNNQDBLHONR-ZYHUDNBSSA-N 2 2 341.249 2.247 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCO3)C[C@H]1C[NH3+] ZINC000631842449 470187160 /nfs/dbraw/zinc/18/71/60/470187160.db2.gz AMQLNNQDBLHONR-ZYHUDNBSSA-N 2 2 341.249 2.247 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887121 470189519 /nfs/dbraw/zinc/18/95/19/470189519.db2.gz OANFMEZUKAWXLL-KYJSFNMBSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631887121 470189520 /nfs/dbraw/zinc/18/95/20/470189520.db2.gz OANFMEZUKAWXLL-KYJSFNMBSA-N 2 2 333.451 2.419 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886984 470189546 /nfs/dbraw/zinc/18/95/46/470189546.db2.gz NPCKFSLJRCFJMS-RTBURBONSA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886984 470189547 /nfs/dbraw/zinc/18/95/47/470189547.db2.gz NPCKFSLJRCFJMS-RTBURBONSA-N 2 2 329.488 2.498 10 0 EEAELP C[C@](O)(C[C@@H](O)C[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1)C1CC1 ZINC000634636796 470272080 /nfs/dbraw/zinc/27/20/80/470272080.db2.gz KDJZGWXRWTYFBA-AQNXPRMDSA-N 2 2 332.488 2.325 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645982083 470482956 /nfs/dbraw/zinc/48/29/56/470482956.db2.gz ATTTVCDYVRFNPM-VQTJNVASSA-N 2 2 325.456 2.364 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645982083 470482961 /nfs/dbraw/zinc/48/29/61/470482961.db2.gz ATTTVCDYVRFNPM-VQTJNVASSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000645982083 470482963 /nfs/dbraw/zinc/48/29/63/470482963.db2.gz ATTTVCDYVRFNPM-VQTJNVASSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000645982083 470482967 /nfs/dbraw/zinc/48/29/67/470482967.db2.gz ATTTVCDYVRFNPM-VQTJNVASSA-N 2 2 325.456 2.364 10 0 EEAELP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000636989040 470551414 /nfs/dbraw/zinc/55/14/14/470551414.db2.gz QAVPONWOXZNBPJ-JKSUJKDBSA-N 2 2 345.491 2.251 10 0 EEAELP CC[C@@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000649416595 470580385 /nfs/dbraw/zinc/58/03/85/470580385.db2.gz FSHILTLWZXCBDE-SJORKVTESA-N 2 2 347.507 2.461 10 0 EEAELP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@@H]1[NH3+] ZINC000649416595 470580389 /nfs/dbraw/zinc/58/03/89/470580389.db2.gz FSHILTLWZXCBDE-SJORKVTESA-N 2 2 347.507 2.461 10 0 EEAELP Cc1[nH+]ccn1CC[N@@H+]1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000649654624 470653786 /nfs/dbraw/zinc/65/37/86/470653786.db2.gz TZGKNHLKRWWULV-UHFFFAOYSA-N 2 2 340.406 2.029 10 0 EEAELP Cc1[nH+]ccn1CC[N@H+]1CCn2c(Cc3cccc(F)c3)nnc2C1 ZINC000649654624 470653791 /nfs/dbraw/zinc/65/37/91/470653791.db2.gz TZGKNHLKRWWULV-UHFFFAOYSA-N 2 2 340.406 2.029 10 0 EEAELP CC(C)C[N@H+](C)CCC[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000650130437 470799187 /nfs/dbraw/zinc/79/91/87/470799187.db2.gz VALPNBPEERLICD-MRXNPFEDSA-N 2 2 325.884 2.304 10 0 EEAELP CC(C)C[N@@H+](C)CCC[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000650130437 470799193 /nfs/dbraw/zinc/79/91/93/470799193.db2.gz VALPNBPEERLICD-MRXNPFEDSA-N 2 2 325.884 2.304 10 0 EEAELP Cc1[nH+]cc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)n1-c1ccccc1 ZINC000647246317 470865825 /nfs/dbraw/zinc/86/58/25/470865825.db2.gz BYGAPGMQGKZJJB-IBGZPJMESA-N 2 2 329.444 2.448 10 0 EEAELP COc1ccc(F)cc1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625747 470999841 /nfs/dbraw/zinc/99/98/41/470999841.db2.gz OYKZQPUUWOBEQV-GOSISDBHSA-N 2 2 332.419 2.417 10 0 EEAELP COc1ccc(F)cc1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625747 470999845 /nfs/dbraw/zinc/99/98/45/470999845.db2.gz OYKZQPUUWOBEQV-GOSISDBHSA-N 2 2 332.419 2.417 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900959 471011614 /nfs/dbraw/zinc/01/16/14/471011614.db2.gz IATXVUFTBSNNGP-UHOSZYNNSA-N 2 2 329.488 2.464 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900959 471011617 /nfs/dbraw/zinc/01/16/17/471011617.db2.gz IATXVUFTBSNNGP-UHOSZYNNSA-N 2 2 329.488 2.464 10 0 EEAELP Cn1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nnc1-c1ccccc1 ZINC000647903831 471013255 /nfs/dbraw/zinc/01/32/55/471013255.db2.gz QRJZWBBYYDEOFW-DLBZAZTESA-N 2 2 325.460 2.446 10 0 EEAELP Cn1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nnc1-c1ccccc1 ZINC000647903831 471013257 /nfs/dbraw/zinc/01/32/57/471013257.db2.gz QRJZWBBYYDEOFW-DLBZAZTESA-N 2 2 325.460 2.446 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000651007625 471023977 /nfs/dbraw/zinc/02/39/77/471023977.db2.gz CVOWWBDZASNGQY-INIZCTEOSA-N 2 2 342.443 2.308 10 0 EEAELP C[C@@H]1CN(c2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cn2)C[C@H](C)O1 ZINC000657310746 471094463 /nfs/dbraw/zinc/09/44/63/471094463.db2.gz DISNNZXSQQIDNA-GASCZTMLSA-N 2 2 341.459 2.128 10 0 EEAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000638437327 471094737 /nfs/dbraw/zinc/09/47/37/471094737.db2.gz RQLDFINRGYYZMG-SFHVURJKSA-N 2 2 334.460 2.056 10 0 EEAELP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000657576351 471174115 /nfs/dbraw/zinc/17/41/15/471174115.db2.gz JREGRKPEPYEVFW-NSISKUIASA-N 2 2 347.503 2.202 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000654846804 471201324 /nfs/dbraw/zinc/20/13/24/471201324.db2.gz HMIPZYBEBACRIX-QGZVFWFLSA-N 2 2 344.503 2.488 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000654846804 471201330 /nfs/dbraw/zinc/20/13/30/471201330.db2.gz HMIPZYBEBACRIX-QGZVFWFLSA-N 2 2 344.503 2.488 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000652482926 471298499 /nfs/dbraw/zinc/29/84/99/471298499.db2.gz VLKKTHQNXNLQIB-NVXWUHKLSA-N 2 2 327.432 2.148 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000652482926 471298502 /nfs/dbraw/zinc/29/85/02/471298502.db2.gz VLKKTHQNXNLQIB-NVXWUHKLSA-N 2 2 327.432 2.148 10 0 EEAELP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000652713725 471338411 /nfs/dbraw/zinc/33/84/11/471338411.db2.gz VXMYDGWLNHNWKV-YESZJQIVSA-N 2 2 326.444 2.393 10 0 EEAELP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000652713725 471338415 /nfs/dbraw/zinc/33/84/15/471338415.db2.gz VXMYDGWLNHNWKV-YESZJQIVSA-N 2 2 326.444 2.393 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]C[C@@H]3CCOC3(C)C)c2cc1C ZINC000663371523 471343971 /nfs/dbraw/zinc/34/39/71/471343971.db2.gz UIOVTMAEYZNAPW-JKSUJKDBSA-N 2 2 331.460 2.419 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000660486964 471362190 /nfs/dbraw/zinc/36/21/90/471362190.db2.gz NADCPTFEYJEMSR-LJQANCHMSA-N 2 2 349.494 2.354 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000660486964 471362198 /nfs/dbraw/zinc/36/21/98/471362198.db2.gz NADCPTFEYJEMSR-LJQANCHMSA-N 2 2 349.494 2.354 10 0 EEAELP CCCc1csc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000666577525 471453795 /nfs/dbraw/zinc/45/37/95/471453795.db2.gz JIWGETHCOLJPSJ-UHFFFAOYSA-N 2 2 327.498 2.101 10 0 EEAELP CCCc1csc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000666577525 471453799 /nfs/dbraw/zinc/45/37/99/471453799.db2.gz JIWGETHCOLJPSJ-UHFFFAOYSA-N 2 2 327.498 2.101 10 0 EEAELP O=C([C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1)N1CCCCC1 ZINC000655763295 471474024 /nfs/dbraw/zinc/47/40/24/471474024.db2.gz MKQWXBKXXFLVTA-NZSAHSFTSA-N 2 2 349.519 2.011 10 0 EEAELP C[C@H](NC(=O)[C@H]([NH3+])CC[NH+](C)C)c1ccc(-c2cccnc2)cc1 ZINC000653123178 471499851 /nfs/dbraw/zinc/49/98/51/471499851.db2.gz QOPBDDLYYFRQGN-KBXCAEBGSA-N 2 2 326.444 2.205 10 0 EEAELP CCC(C)(C)c1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1 ZINC000669541348 471542383 /nfs/dbraw/zinc/54/23/83/471542383.db2.gz SPHIKTITIHITTH-QGZVFWFLSA-N 2 2 332.492 2.159 10 0 EEAELP CCC(C)(C)c1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1 ZINC000669541348 471542390 /nfs/dbraw/zinc/54/23/90/471542390.db2.gz SPHIKTITIHITTH-QGZVFWFLSA-N 2 2 332.492 2.159 10 0 EEAELP C[NH2+]C[C@@H](C)NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000659471471 471645352 /nfs/dbraw/zinc/64/53/52/471645352.db2.gz DWSNXYCFQZAVGP-NVXWUHKLSA-N 2 2 329.448 2.148 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](CC2CCCCC2)CC1)c1[nH+]ccn1C ZINC000667256445 471711308 /nfs/dbraw/zinc/71/13/08/471711308.db2.gz LMVZEWQHOYHBEZ-OAHLLOKOSA-N 2 2 333.480 2.389 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000656707093 471814862 /nfs/dbraw/zinc/81/48/62/471814862.db2.gz UPLFDTKEVRINSX-LJQANCHMSA-N 2 2 332.488 2.228 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000656707093 471814869 /nfs/dbraw/zinc/81/48/69/471814869.db2.gz UPLFDTKEVRINSX-LJQANCHMSA-N 2 2 332.488 2.228 10 0 EEAELP CCc1nn(C)cc1C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000656790134 471841558 /nfs/dbraw/zinc/84/15/58/471841558.db2.gz LXZNOPDNDLCRSX-CRAIPNDOSA-N 2 2 346.450 2.366 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661705781 471857839 /nfs/dbraw/zinc/85/78/39/471857839.db2.gz XJQCQUPBAPKZMS-MUKKUYKPSA-N 2 2 340.427 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661705781 471857842 /nfs/dbraw/zinc/85/78/42/471857842.db2.gz XJQCQUPBAPKZMS-MUKKUYKPSA-N 2 2 340.427 2.372 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299931 471995098 /nfs/dbraw/zinc/99/50/98/471995098.db2.gz VMZKORCUNRXYOV-OIISXLGYSA-N 2 2 326.444 2.216 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299929 471995245 /nfs/dbraw/zinc/99/52/45/471995245.db2.gz VMZKORCUNRXYOV-DJIMGWMZSA-N 2 2 326.444 2.216 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCOCC2)O1 ZINC000668088226 472003893 /nfs/dbraw/zinc/00/38/93/472003893.db2.gz WNQFXVYHDLUOAW-HNNXBMFYSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2(CCOCC2)O1 ZINC000668088226 472003897 /nfs/dbraw/zinc/00/38/97/472003897.db2.gz WNQFXVYHDLUOAW-HNNXBMFYSA-N 2 2 328.416 2.037 10 0 EEAELP Fc1ccc(-c2noc([C@H]3CCC[N@H+](C[C@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662258135 472046257 /nfs/dbraw/zinc/04/62/57/472046257.db2.gz SDDDXFPVQKZZRK-GOEBONIOSA-N 2 2 346.406 2.044 10 0 EEAELP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](C[C@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662258135 472046262 /nfs/dbraw/zinc/04/62/62/472046262.db2.gz SDDDXFPVQKZZRK-GOEBONIOSA-N 2 2 346.406 2.044 10 0 EEAELP O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668240667 472056050 /nfs/dbraw/zinc/05/60/50/472056050.db2.gz ONOJSOIOGXJZNR-MRXNPFEDSA-N 2 2 339.443 2.244 10 0 EEAELP O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668240667 472056053 /nfs/dbraw/zinc/05/60/53/472056053.db2.gz ONOJSOIOGXJZNR-MRXNPFEDSA-N 2 2 339.443 2.244 10 0 EEAELP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324612 472071893 /nfs/dbraw/zinc/07/18/93/472071893.db2.gz ZHFRCOIUVDFVOW-JYSRZZCRSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324612 472071898 /nfs/dbraw/zinc/07/18/98/472071898.db2.gz ZHFRCOIUVDFVOW-JYSRZZCRSA-N 2 2 339.524 2.112 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC4CC3(C)C4)CC2)c1 ZINC000662381075 472092058 /nfs/dbraw/zinc/09/20/58/472092058.db2.gz TWUVUOOLZNOQST-UHFFFAOYSA-N 2 2 327.472 2.124 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC4CC3(C)C4)CC2)c1 ZINC000662381075 472092064 /nfs/dbraw/zinc/09/20/64/472092064.db2.gz TWUVUOOLZNOQST-UHFFFAOYSA-N 2 2 327.472 2.124 10 0 EEAELP COc1cc2c(cc1C[NH+]1CCC([N@@H+]3CC[C@H](O)C3)CC1)O[C@@H](C)C2 ZINC000668740234 472247359 /nfs/dbraw/zinc/24/73/59/472247359.db2.gz GYTZOIHSEANKFX-KSSFIOAISA-N 2 2 346.471 2.050 10 0 EEAELP COc1cc2c(cc1C[NH+]1CCC([N@H+]3CC[C@H](O)C3)CC1)O[C@@H](C)C2 ZINC000668740234 472247369 /nfs/dbraw/zinc/24/73/69/472247369.db2.gz GYTZOIHSEANKFX-KSSFIOAISA-N 2 2 346.471 2.050 10 0 EEAELP COc1cc2c(c(C[NH+]3CCC([N@@H+]4CC[C@H](O)C4)CC3)c1)O[C@@H](C)C2 ZINC000668739736 472248568 /nfs/dbraw/zinc/24/85/68/472248568.db2.gz BWDBMMOPDRTGEZ-KSSFIOAISA-N 2 2 346.471 2.050 10 0 EEAELP COc1cc2c(c(C[NH+]3CCC([N@H+]4CC[C@H](O)C4)CC3)c1)O[C@@H](C)C2 ZINC000668739736 472248575 /nfs/dbraw/zinc/24/85/75/472248575.db2.gz BWDBMMOPDRTGEZ-KSSFIOAISA-N 2 2 346.471 2.050 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169123 472333839 /nfs/dbraw/zinc/33/38/39/472333839.db2.gz RSOVBGSKDOQKBF-ZBFHGGJFSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000666169123 472333843 /nfs/dbraw/zinc/33/38/43/472333843.db2.gz RSOVBGSKDOQKBF-ZBFHGGJFSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169123 472333846 /nfs/dbraw/zinc/33/38/46/472333846.db2.gz RSOVBGSKDOQKBF-ZBFHGGJFSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000666169123 472333848 /nfs/dbraw/zinc/33/38/48/472333848.db2.gz RSOVBGSKDOQKBF-ZBFHGGJFSA-N 2 2 338.455 2.078 10 0 EEAELP COc1cccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1F ZINC000192665833 485520308 /nfs/dbraw/zinc/52/03/08/485520308.db2.gz ORHNVRGLMVMQRK-SFHVURJKSA-N 2 2 344.430 2.343 10 0 EEAELP COc1cccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1F ZINC000192665833 485520314 /nfs/dbraw/zinc/52/03/14/485520314.db2.gz ORHNVRGLMVMQRK-SFHVURJKSA-N 2 2 344.430 2.343 10 0 EEAELP CC[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCOC2)O1 ZINC000668096400 485620892 /nfs/dbraw/zinc/62/08/92/485620892.db2.gz GXZMUGFZPRIKSR-ROUUACIJSA-N 2 2 328.416 2.037 10 0 EEAELP CC[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCOC2)O1 ZINC000668096400 485620896 /nfs/dbraw/zinc/62/08/96/485620896.db2.gz GXZMUGFZPRIKSR-ROUUACIJSA-N 2 2 328.416 2.037 10 0 EEAELP CCc1ccc([C@H](C[NH+]2CCOCC2)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629543262 485730566 /nfs/dbraw/zinc/73/05/66/485730566.db2.gz XIXIXYSGWUDJLS-DBVUQKKJSA-N 2 2 331.504 2.352 10 0 EEAELP c1nn(-c2ccccc2)c2nc[nH+]c(N[C@H]3CCc4c[nH+]cn4C3)c12 ZINC000672324981 486101884 /nfs/dbraw/zinc/10/18/84/486101884.db2.gz XQFPTKVPQMFFGJ-ZDUSSCGKSA-N 2 2 331.383 2.439 10 0 EEAELP COc1cc(C)c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000685457769 486123262 /nfs/dbraw/zinc/12/32/62/486123262.db2.gz MNPJNNRCFKEKTI-GOSISDBHSA-N 2 2 346.519 2.307 10 0 EEAELP COc1cc(C)c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000685457769 486123269 /nfs/dbraw/zinc/12/32/69/486123269.db2.gz MNPJNNRCFKEKTI-GOSISDBHSA-N 2 2 346.519 2.307 10 0 EEAELP CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000685717002 486177711 /nfs/dbraw/zinc/17/77/11/486177711.db2.gz MEOATXPIJQUWRZ-JKSUJKDBSA-N 2 2 333.476 2.289 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000681358270 486219512 /nfs/dbraw/zinc/21/95/12/486219512.db2.gz WPXIVSZUIHIOEM-UHFFFAOYSA-N 2 2 333.395 2.382 10 0 EEAELP CCn1nc2c(cc1=O)C[N@@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000682085067 486419475 /nfs/dbraw/zinc/41/94/75/486419475.db2.gz HGAIVWRWMXPWAR-UHFFFAOYSA-N 2 2 349.438 2.066 10 0 EEAELP CCn1nc2c(cc1=O)C[N@H+](Cc1c[nH+]cn1Cc1ccccc1)CC2 ZINC000682085067 486419477 /nfs/dbraw/zinc/41/94/77/486419477.db2.gz HGAIVWRWMXPWAR-UHFFFAOYSA-N 2 2 349.438 2.066 10 0 EEAELP O=S1(=O)CC[C@H](CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000677681526 486476086 /nfs/dbraw/zinc/47/60/86/486476086.db2.gz JEAVFVYSWJOPPI-ROUUACIJSA-N 2 2 342.549 2.399 10 0 EEAELP O=S1(=O)CC[C@H](CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000677681526 486476087 /nfs/dbraw/zinc/47/60/87/486476087.db2.gz JEAVFVYSWJOPPI-ROUUACIJSA-N 2 2 342.549 2.399 10 0 EEAELP Cn1nc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2ccccc21 ZINC000678241261 486597115 /nfs/dbraw/zinc/59/71/15/486597115.db2.gz FFTHPAYKIVFXAU-KRWDZBQOSA-N 2 2 341.503 2.175 10 0 EEAELP Cn1nc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2ccccc21 ZINC000678241261 486597118 /nfs/dbraw/zinc/59/71/18/486597118.db2.gz FFTHPAYKIVFXAU-KRWDZBQOSA-N 2 2 341.503 2.175 10 0 EEAELP CN1CCC2(CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)C1=O ZINC000447095962 536349748 /nfs/dbraw/zinc/34/97/48/536349748.db2.gz FTCUGJOWRCQJDT-UHFFFAOYSA-N 2 2 330.457 2.378 10 0 EEAELP COc1ccc([C@@H]([NH2+]CC2CCN(C(C)=O)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422732639 536890526 /nfs/dbraw/zinc/89/05/26/536890526.db2.gz AEFOCNCJJZNZPF-VQTJNVASSA-N 2 2 345.487 2.336 10 0 EEAELP C[NH+](C)CC1CC[NH+](Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 ZINC000738075140 577998388 /nfs/dbraw/zinc/99/83/88/577998388.db2.gz DNMLYMIOIFJINY-UHFFFAOYSA-N 2 2 344.434 2.281 10 0 EEAELP C[NH+](C)CC(C)(C)CNC(=S)NC1CCN(c2cccc[nH+]2)CC1 ZINC000727077015 576402310 /nfs/dbraw/zinc/40/23/10/576402310.db2.gz ZZLNMACPIMMCOH-UHFFFAOYSA-N 2 2 349.548 2.102 10 0 EEAELP C[N@H+](CC(=O)OC[C@H]1CCC[NH+]1Cc1ccco1)[C@H]1CCSC1 ZINC000774236214 577390922 /nfs/dbraw/zinc/39/09/22/577390922.db2.gz DFNYUERXQBGZSG-CABCVRRESA-N 2 2 338.473 2.225 10 0 EEAELP C[N@@H+](CC(=O)OC[C@H]1CCC[NH+]1Cc1ccco1)[C@H]1CCSC1 ZINC000774236214 577390924 /nfs/dbraw/zinc/39/09/24/577390924.db2.gz DFNYUERXQBGZSG-CABCVRRESA-N 2 2 338.473 2.225 10 0 EEAELP C[NH+](CC(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1)[C@H]1CCSC1 ZINC000774236214 577390926 /nfs/dbraw/zinc/39/09/26/577390926.db2.gz DFNYUERXQBGZSG-CABCVRRESA-N 2 2 338.473 2.225 10 0 EEAELP C[NH+](CC(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1)[C@H]1CCSC1 ZINC000774236214 577390927 /nfs/dbraw/zinc/39/09/27/577390927.db2.gz DFNYUERXQBGZSG-CABCVRRESA-N 2 2 338.473 2.225 10 0 EEAELP CCCCCCN(O)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000904171055 694317930 /nfs/dbraw/zinc/31/79/30/694317930.db2.gz QNRZPLAJLOEYPS-HNNXBMFYSA-N 2 2 326.485 2.136 10 0 EEAELP CCCCCCN(O)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000904171055 694317934 /nfs/dbraw/zinc/31/79/34/694317934.db2.gz QNRZPLAJLOEYPS-HNNXBMFYSA-N 2 2 326.485 2.136 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000322237394 691635977 /nfs/dbraw/zinc/63/59/77/691635977.db2.gz IQGBQABQLIEOCP-UHFFFAOYSA-N 2 2 330.354 2.250 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001485658956 1191879156 /nfs/dbraw/zinc/87/91/56/1191879156.db2.gz WCHLCKFWAWDMTP-OKZBNKHCSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001485658956 1191879158 /nfs/dbraw/zinc/87/91/58/1191879158.db2.gz WCHLCKFWAWDMTP-OKZBNKHCSA-N 2 2 344.503 2.370 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001485699851 1191904922 /nfs/dbraw/zinc/90/49/22/1191904922.db2.gz APLCGWSEYRWMNY-SHTZXODSSA-N 2 2 332.473 2.131 10 0 EEAELP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001485727767 1191919558 /nfs/dbraw/zinc/91/95/58/1191919558.db2.gz NWKQXPXLIDVBCC-CHWSQXEVSA-N 2 2 346.397 2.272 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001691306581 1177875270 /nfs/dbraw/zinc/87/52/70/1177875270.db2.gz VPVIJQCMFVVJJY-DOTOQJQBSA-N 2 2 341.459 2.154 10 0 EEAELP Cc1ncc(C[NH2+]CCN(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)s1 ZINC001691355806 1177959106 /nfs/dbraw/zinc/95/91/06/1177959106.db2.gz QLACVTMUWSCLSG-MRXNPFEDSA-N 2 2 349.504 2.483 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001691376939 1177983564 /nfs/dbraw/zinc/98/35/64/1177983564.db2.gz KRYYLDXCKPRWHA-AEFFLSMTSA-N 2 2 340.471 2.412 10 0 EEAELP CO[C@@H](C[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001691391031 1177991265 /nfs/dbraw/zinc/99/12/65/1177991265.db2.gz CEUOIOVXAJKJSF-KRWDZBQOSA-N 2 2 344.459 2.201 10 0 EEAELP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001267016429 1178093597 /nfs/dbraw/zinc/09/35/97/1178093597.db2.gz DGCPYZDHTDLFNS-FUHWJXTLSA-N 2 2 337.508 2.011 10 0 EEAELP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001267016429 1178093606 /nfs/dbraw/zinc/09/36/06/1178093606.db2.gz DGCPYZDHTDLFNS-FUHWJXTLSA-N 2 2 337.508 2.011 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[C@H]2CCC[N@H+]2C[C@@H](C)O)c(C)[nH+]1 ZINC001267170959 1178397140 /nfs/dbraw/zinc/39/71/40/1178397140.db2.gz BMPJFAPZGVBHFL-WBVHZDCISA-N 2 2 333.476 2.362 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[C@H]2CCC[N@@H+]2C[C@@H](C)O)c(C)[nH+]1 ZINC001267170959 1178397149 /nfs/dbraw/zinc/39/71/49/1178397149.db2.gz BMPJFAPZGVBHFL-WBVHZDCISA-N 2 2 333.476 2.362 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]Cc1ccccc1C ZINC001267389768 1178954206 /nfs/dbraw/zinc/95/42/06/1178954206.db2.gz FAFZZYBZIZJBOK-UHFFFAOYSA-N 2 2 327.428 2.189 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]Cc1cnn(C(C)(C)C)c1)n1cc[nH+]c1 ZINC001267433998 1179001425 /nfs/dbraw/zinc/00/14/25/1179001425.db2.gz PMJXINWACTVLGY-HNNXBMFYSA-N 2 2 346.479 2.034 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1cccc2cccnc21 ZINC001267461273 1179051250 /nfs/dbraw/zinc/05/12/50/1179051250.db2.gz JWXIQZPVCUNICQ-UHFFFAOYSA-N 2 2 337.427 2.057 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)co1 ZINC001267473655 1179106134 /nfs/dbraw/zinc/10/61/34/1179106134.db2.gz HXJIAJRXZHCGBJ-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1coc(C)n1)[NH+](CC)CC ZINC001481055880 1179643921 /nfs/dbraw/zinc/64/39/21/1179643921.db2.gz CWOGJZSKRDNSQP-IAGOWNOFSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1coc(C)n1)[NH+](CC)CC ZINC001481055880 1179643926 /nfs/dbraw/zinc/64/39/26/1179643926.db2.gz CWOGJZSKRDNSQP-IAGOWNOFSA-N 2 2 336.480 2.184 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001481119344 1179792651 /nfs/dbraw/zinc/79/26/51/1179792651.db2.gz UHVPHLLRDGIZAE-QGZVFWFLSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001481119344 1179792657 /nfs/dbraw/zinc/79/26/57/1179792657.db2.gz UHVPHLLRDGIZAE-QGZVFWFLSA-N 2 2 330.476 2.291 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](CCc1ccccc1Cl)C1CC1 ZINC001481201185 1180098026 /nfs/dbraw/zinc/09/80/26/1180098026.db2.gz ZSARZQVOAKXILW-UHFFFAOYSA-N 2 2 346.862 2.360 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](CCc1ccccc1Cl)C1CC1 ZINC001481201185 1180098032 /nfs/dbraw/zinc/09/80/32/1180098032.db2.gz ZSARZQVOAKXILW-UHFFFAOYSA-N 2 2 346.862 2.360 10 0 EEAELP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001267839196 1180613024 /nfs/dbraw/zinc/61/30/24/1180613024.db2.gz KAYAZALBIMUTBH-HUUCEWRRSA-N 2 2 336.455 2.212 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](Cc1nccs1)C(C)C ZINC001481352203 1181098204 /nfs/dbraw/zinc/09/82/04/1181098204.db2.gz XNTTUXWFDMSVGE-UHFFFAOYSA-N 2 2 335.477 2.065 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](Cc1nccs1)C(C)C 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2 2 348.491 2.328 10 0 EEAELP CC/C=C/CC[NH+]1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001268452574 1182663200 /nfs/dbraw/zinc/66/32/00/1182663200.db2.gz BAVIFQCPRGORQZ-DKFQHHCZSA-N 2 2 325.472 2.356 10 0 EEAELP CC/C=C/CC[NH+]1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001268452574 1182663201 /nfs/dbraw/zinc/66/32/01/1182663201.db2.gz BAVIFQCPRGORQZ-DKFQHHCZSA-N 2 2 325.472 2.356 10 0 EEAELP C[C@@H]1CCCC[C@@]1(C[NH2+]CCC1CC1)NC(=O)Cc1c[nH+]cn1C ZINC001481960988 1183043003 /nfs/dbraw/zinc/04/30/03/1183043003.db2.gz KFQPASXEGMUCQP-BEFAXECRSA-N 2 2 332.492 2.417 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(CC[NH2+]CCCF)CC1 ZINC001482000123 1183114062 /nfs/dbraw/zinc/11/40/62/1183114062.db2.gz GUEQHJNZUCVTMW-MRXNPFEDSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001482018107 1183138604 /nfs/dbraw/zinc/13/86/04/1183138604.db2.gz LJJSMONQKOHMRX-FZKCQIBNSA-N 2 2 336.455 2.211 10 0 EEAELP 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ZXIHUNQEZKBGNE-MJSXRHKHSA-N 2 2 346.475 2.182 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001483031446 1188051769 /nfs/dbraw/zinc/05/17/69/1188051769.db2.gz YJBARBPIRHMQLU-MJSXRHKHSA-N 2 2 330.476 2.144 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1cccnc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001483041169 1188098391 /nfs/dbraw/zinc/09/83/91/1188098391.db2.gz MIIDVZOZBIFICK-OWOJBTEDSA-N 2 2 347.422 2.343 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483051029 1188294630 /nfs/dbraw/zinc/29/46/30/1188294630.db2.gz OWKUYQJXWHWRKZ-DKLOGILVSA-N 2 2 348.491 2.290 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483051029 1188294632 /nfs/dbraw/zinc/29/46/32/1188294632.db2.gz OWKUYQJXWHWRKZ-DKLOGILVSA-N 2 2 348.491 2.290 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C)c1ccccc1F ZINC001483083290 1188444554 /nfs/dbraw/zinc/44/45/54/1188444554.db2.gz GSNOJFJFUUQSHI-GJBLVYBDSA-N 2 2 330.407 2.125 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F ZINC001483082364 1188445528 /nfs/dbraw/zinc/44/55/28/1188445528.db2.gz OYXKZVCHLZULMI-KVLZDYKBSA-N 2 2 342.418 2.051 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)sn1 ZINC001483227829 1189521866 /nfs/dbraw/zinc/52/18/66/1189521866.db2.gz VJZLAQIVZVCWHE-LBPRGKRZSA-N 2 2 343.456 2.316 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCc1cccs1 ZINC001485895393 1193633146 /nfs/dbraw/zinc/63/31/46/1193633146.db2.gz RRZNVVGNQOLQJI-HUUCEWRRSA-N 2 2 346.500 2.186 10 0 EEAELP CC(C)COCC[NH2+][C@@H](C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001485901445 1193633765 /nfs/dbraw/zinc/63/37/65/1193633765.db2.gz XMPVTRZAOYKCPO-HNNXBMFYSA-N 2 2 332.448 2.057 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001409472365 1189786357 /nfs/dbraw/zinc/78/63/57/1189786357.db2.gz RSUCMWSHADAZFA-MNOVXSKESA-N 2 2 336.386 2.222 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001409593562 1190083707 /nfs/dbraw/zinc/08/37/07/1190083707.db2.gz YDTSOLAUYYHCSM-NVXWUHKLSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001409593562 1190083709 /nfs/dbraw/zinc/08/37/09/1190083709.db2.gz YDTSOLAUYYHCSM-NVXWUHKLSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cc(O)ccc1Cl ZINC001409680754 1190179946 /nfs/dbraw/zinc/17/99/46/1190179946.db2.gz KTKAZLDLKMWXHG-ZDUSSCGKSA-N 2 2 339.867 2.078 10 0 EEAELP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001409680754 1190179948 /nfs/dbraw/zinc/17/99/48/1190179948.db2.gz KTKAZLDLKMWXHG-ZDUSSCGKSA-N 2 2 339.867 2.078 10 0 EEAELP CO[C@@H](C)C[NH2+]CC1(NC(=O)C[C@H](C)n2cc[nH+]c2)CCCCC1 ZINC001409773831 1190268995 /nfs/dbraw/zinc/26/89/95/1190268995.db2.gz DDISPVPKYHEDSP-HOTGVXAUSA-N 2 2 336.480 2.278 10 0 EEAELP C[C@H](C[N@H+](C)Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483351644 1190386914 /nfs/dbraw/zinc/38/69/14/1190386914.db2.gz AZYYBDLCJIDZKI-DGCLKSJQSA-N 2 2 344.912 2.217 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483351644 1190386920 /nfs/dbraw/zinc/38/69/20/1190386920.db2.gz AZYYBDLCJIDZKI-DGCLKSJQSA-N 2 2 344.912 2.217 10 0 EEAELP C[C@H](C[NH+](C)Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483351644 1190386926 /nfs/dbraw/zinc/38/69/26/1190386926.db2.gz AZYYBDLCJIDZKI-DGCLKSJQSA-N 2 2 344.912 2.217 10 0 EEAELP C[C@H](C[NH+](C)Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483351644 1190386931 /nfs/dbraw/zinc/38/69/31/1190386931.db2.gz AZYYBDLCJIDZKI-DGCLKSJQSA-N 2 2 344.912 2.217 10 0 EEAELP C[C@H](C[N@H+](C)Cc1nc2ccccc2o1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483351626 1190387361 /nfs/dbraw/zinc/38/73/61/1190387361.db2.gz AZGCKBXQEMWKPK-GDBMZVCRSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1nc2ccccc2o1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483351626 1190387366 /nfs/dbraw/zinc/38/73/66/1190387366.db2.gz AZGCKBXQEMWKPK-GDBMZVCRSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H](C[NH+](C)Cc1nc2ccccc2o1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483351626 1190387369 /nfs/dbraw/zinc/38/73/69/1190387369.db2.gz AZGCKBXQEMWKPK-GDBMZVCRSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H](C[NH+](C)Cc1nc2ccccc2o1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483351626 1190387373 /nfs/dbraw/zinc/38/73/73/1190387373.db2.gz AZGCKBXQEMWKPK-GDBMZVCRSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001483703455 1190777848 /nfs/dbraw/zinc/77/78/48/1190777848.db2.gz WYFYSNYBUISFDJ-SFHVURJKSA-N 2 2 344.503 2.300 10 0 EEAELP Cc1nc(C(C)C)ccc1C[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001483703455 1190777852 /nfs/dbraw/zinc/77/78/52/1190777852.db2.gz WYFYSNYBUISFDJ-SFHVURJKSA-N 2 2 344.503 2.300 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001272574657 1190889455 /nfs/dbraw/zinc/88/94/55/1190889455.db2.gz SOTSIBPYZUZVCC-VYSMUGRCSA-N 2 2 336.867 2.104 10 0 EEAELP O=C(NCC1([NH2+]CCCC2CCC2)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483746434 1190899185 /nfs/dbraw/zinc/89/91/85/1190899185.db2.gz AYCMEVPUWREPSD-MRXNPFEDSA-N 2 2 330.476 2.264 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1COCC[NH+]1CC(C)C)c1ccccc1 ZINC001484611286 1191441955 /nfs/dbraw/zinc/44/19/55/1191441955.db2.gz YQTGQPFKLRXCQK-RBUKOAKNSA-N 2 2 347.503 2.152 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1COCC[NH+]1CC(C)C)c1ccccc1 ZINC001484611286 1191441957 /nfs/dbraw/zinc/44/19/57/1191441957.db2.gz YQTGQPFKLRXCQK-RBUKOAKNSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001484611286 1191441959 /nfs/dbraw/zinc/44/19/59/1191441959.db2.gz YQTGQPFKLRXCQK-RBUKOAKNSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NC[C@H]1COCC[N@H+]1CC(C)C)c1ccccc1 ZINC001484611286 1191441961 /nfs/dbraw/zinc/44/19/61/1191441961.db2.gz YQTGQPFKLRXCQK-RBUKOAKNSA-N 2 2 347.503 2.152 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001484694979 1191475879 /nfs/dbraw/zinc/47/58/79/1191475879.db2.gz GIKPWJNVGIFOCO-QGZVFWFLSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]2(CC[N@@H+](CCOC(C)C)C2)C1 ZINC001484830495 1191538012 /nfs/dbraw/zinc/53/80/12/1191538012.db2.gz OKIAZKWBMNFMTG-IBGZPJMESA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@]2(CC[N@H+](CCOC(C)C)C2)C1 ZINC001484830495 1191538013 /nfs/dbraw/zinc/53/80/13/1191538013.db2.gz OKIAZKWBMNFMTG-IBGZPJMESA-N 2 2 348.491 2.000 10 0 EEAELP CO[C@H](C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001485069145 1191636576 /nfs/dbraw/zinc/63/65/76/1191636576.db2.gz JPVLWLBTCWSJKL-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001485069145 1191636577 /nfs/dbraw/zinc/63/65/77/1191636577.db2.gz JPVLWLBTCWSJKL-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc3cnc(C)o3)ccn12 ZINC001485144975 1191664300 /nfs/dbraw/zinc/66/43/00/1191664300.db2.gz AVPYQBQVGAVOIU-STQMWFEESA-N 2 2 341.415 2.236 10 0 EEAELP COCCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001485453583 1191791121 /nfs/dbraw/zinc/79/11/21/1191791121.db2.gz UYRLDUUHWJWHTI-UHFFFAOYSA-N 2 2 344.459 2.393 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](Cc2ccsc2)CC1 ZINC001486440412 1193967539 /nfs/dbraw/zinc/96/75/39/1193967539.db2.gz NAIIRMCQOSUQHY-CYBMUJFWSA-N 2 2 332.473 2.431 10 0 EEAELP CCCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC001486453020 1193975319 /nfs/dbraw/zinc/97/53/19/1193975319.db2.gz UAZBZYVLBJLCQI-JSGCOSHPSA-N 2 2 346.397 2.430 10 0 EEAELP CC(C)(C)OC(=O)N1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CO1 ZINC000703341720 1196432067 /nfs/dbraw/zinc/43/20/67/1196432067.db2.gz AYHWLTVNNIFJCL-CQSZACIVSA-N 2 2 327.469 2.390 10 0 EEAELP Cc1cc(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)cs1 ZINC001410116203 1197554464 /nfs/dbraw/zinc/55/44/64/1197554464.db2.gz IWEBPTXTYCAXBQ-PHZGNYQRSA-N 2 2 344.484 2.125 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4[nH]c[nH+]c4C)[C@@H]3C2)cs1 ZINC001410116203 1197554467 /nfs/dbraw/zinc/55/44/67/1197554467.db2.gz IWEBPTXTYCAXBQ-PHZGNYQRSA-N 2 2 344.484 2.125 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001410331012 1197713762 /nfs/dbraw/zinc/71/37/62/1197713762.db2.gz ZJOSRDXQVRMNKV-INIZCTEOSA-N 2 2 341.459 2.109 10 0 EEAELP CN(CC[NH+]1CC2(C1)CCOCC2)c1cc[nH+]c(N2CCCCC2)n1 ZINC000866257812 1201477803 /nfs/dbraw/zinc/47/78/03/1201477803.db2.gz MHNMNWHRSVZHFZ-UHFFFAOYSA-N 2 2 345.491 2.016 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001274371936 1205010315 /nfs/dbraw/zinc/01/03/15/1205010315.db2.gz ZSVIOYSMRACDPR-OSFIAYCASA-N 2 2 338.455 2.294 10 0 EEAELP C[C@H](CC(=O)NC/C=C\C[NH2+]Cc1ccncc1Cl)n1cc[nH+]c1 ZINC001274404949 1205025042 /nfs/dbraw/zinc/02/50/42/1205025042.db2.gz RTWXVFNHWKHVJC-PYLYLYNFSA-N 2 2 347.850 2.345 10 0 EEAELP CC[C@H](C(=O)NC/C=C\C[NH2+]Cc1cc(C(C)(C)C)on1)[NH+](C)C ZINC001274511308 1205063719 /nfs/dbraw/zinc/06/37/19/1205063719.db2.gz PFCKTXPZKWROAJ-WHLNPGIBSA-N 2 2 336.480 2.074 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001274894030 1205202850 /nfs/dbraw/zinc/20/28/50/1205202850.db2.gz FEQYXLPNMLFQEP-TWZRTHNCSA-N 2 2 337.508 2.080 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001274894030 1205202853 /nfs/dbraw/zinc/20/28/53/1205202853.db2.gz FEQYXLPNMLFQEP-TWZRTHNCSA-N 2 2 337.508 2.080 10 0 EEAELP O=C(NC1CC(C[NH2+]CCCCCF)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001275250060 1205290679 /nfs/dbraw/zinc/29/06/79/1205290679.db2.gz BFNXLEWKHQWOFU-HWOWSKLDSA-N 2 2 336.455 2.070 10 0 EEAELP Cc1nnsc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275434673 1205359924 /nfs/dbraw/zinc/35/99/24/1205359924.db2.gz WPOCVDCDVNEVGY-NXEZZACHSA-N 2 2 344.444 2.019 10 0 EEAELP C[N@@H+]1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)[C@H]2C1 ZINC001412171393 1205661779 /nfs/dbraw/zinc/66/17/79/1205661779.db2.gz WVSNBWOFDWGGFP-NCOADZHNSA-N 2 2 328.460 2.215 10 0 EEAELP C[N@H+]1C[C@H]2CCN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)[C@H]2C1 ZINC001412171393 1205661780 /nfs/dbraw/zinc/66/17/80/1205661780.db2.gz WVSNBWOFDWGGFP-NCOADZHNSA-N 2 2 328.460 2.215 10 0 EEAELP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001276082884 1205765443 /nfs/dbraw/zinc/76/54/43/1205765443.db2.gz CJLJRVRDCHZXLW-QGZVFWFLSA-N 2 2 340.471 2.392 10 0 EEAELP C[NH+](C)CCOc1ccc(/C=C\C(=O)OCc2ccc(N)[nH+]c2)cc1 ZINC000924187480 1205943865 /nfs/dbraw/zinc/94/38/65/1205943865.db2.gz VQPMHUBDMZFAEP-POHAHGRESA-N 2 2 341.411 2.361 10 0 EEAELP O=C(CC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000924876883 1206045260 /nfs/dbraw/zinc/04/52/60/1206045260.db2.gz AETDTNQODOYJBJ-RCCFBDPRSA-N 2 2 340.471 2.065 10 0 EEAELP C[C@H](CN[C@@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCN(c2ccccc2)CC1 ZINC000925546864 1206126190 /nfs/dbraw/zinc/12/61/90/1206126190.db2.gz QMXWHBFSHBAZLA-NZSAHSFTSA-N 2 2 328.504 2.057 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842482 1206159334 /nfs/dbraw/zinc/15/93/34/1206159334.db2.gz JWSHOTJPDOSNLU-MTFMMBMASA-N 3 2 328.504 2.414 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842482 1206159336 /nfs/dbraw/zinc/15/93/36/1206159336.db2.gz JWSHOTJPDOSNLU-MTFMMBMASA-N 3 2 328.504 2.414 10 0 EEAELP CC[C@H](C)n1ncc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1C1CC1 ZINC000926086408 1206189974 /nfs/dbraw/zinc/18/99/74/1206189974.db2.gz YMWPCQPAJNBZSY-ZDUSSCGKSA-N 2 2 348.495 2.276 10 0 EEAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000926408231 1206219307 /nfs/dbraw/zinc/21/93/07/1206219307.db2.gz BMUXIXUFUDJIKF-FCLXEUQJSA-N 2 2 349.450 2.266 10 0 EEAELP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000926408231 1206219309 /nfs/dbraw/zinc/21/93/09/1206219309.db2.gz BMUXIXUFUDJIKF-FCLXEUQJSA-N 2 2 349.450 2.266 10 0 EEAELP O[C@H](CC[C@@H](O)c1ccccc1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803220 1206503809 /nfs/dbraw/zinc/50/38/09/1206503809.db2.gz FGQVSESXPHFARV-QZTJIDSGSA-N 2 2 329.444 2.464 10 0 EEAELP O[C@H](CC[C@@H](O)c1ccccc1)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929991907 1206526585 /nfs/dbraw/zinc/52/65/85/1206526585.db2.gz KXIPCWSNZKIWBP-RCCFBDPRSA-N 2 2 329.444 2.464 10 0 EEAELP O[C@H](CC[C@@H](O)c1ccccc1)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929991907 1206526586 /nfs/dbraw/zinc/52/65/86/1206526586.db2.gz KXIPCWSNZKIWBP-RCCFBDPRSA-N 2 2 329.444 2.464 10 0 EEAELP C[C@H](C(=O)N(C)C)[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931215153 1206616581 /nfs/dbraw/zinc/61/65/81/1206616581.db2.gz DZKHDUYDNQAOKW-NSISKUIASA-N 2 2 329.488 2.307 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931304014 1206623254 /nfs/dbraw/zinc/62/32/54/1206623254.db2.gz JXNZOWNCRUVDNW-UXPWSPDFSA-N 2 2 348.487 2.099 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)C[C@@]2(C)C1 ZINC000931311675 1206623847 /nfs/dbraw/zinc/62/38/47/1206623847.db2.gz RUNOIZKHHMKUIZ-QXAKKESOSA-N 2 2 329.444 2.285 10 0 EEAELP Cc1ccccc1OCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001671110952 1212231521 /nfs/dbraw/zinc/23/15/21/1212231521.db2.gz HLCGHWKXTDJATF-GOSISDBHSA-N 2 2 345.487 2.001 10 0 EEAELP CCN1CC[C@@H]([N@@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001413047954 1217345844 /nfs/dbraw/zinc/34/58/44/1217345844.db2.gz SEOYMCLOAOQKNQ-NRSPTQNISA-N 2 2 341.499 2.451 10 0 EEAELP CCN1CC[C@@H]([N@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001413047954 1217345850 /nfs/dbraw/zinc/34/58/50/1217345850.db2.gz SEOYMCLOAOQKNQ-NRSPTQNISA-N 2 2 341.499 2.451 10 0 EEAELP CCN1CC[C@@H]([NH+]2C[C@@]3(C)C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001413047954 1217345855 /nfs/dbraw/zinc/34/58/55/1217345855.db2.gz SEOYMCLOAOQKNQ-NRSPTQNISA-N 2 2 341.499 2.451 10 0 EEAELP CCN1CC[C@@H]([NH+]2C[C@@]3(C)C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001413047954 1217345860 /nfs/dbraw/zinc/34/58/60/1217345860.db2.gz SEOYMCLOAOQKNQ-NRSPTQNISA-N 2 2 341.499 2.451 10 0 EEAELP C[C@H](c1cccc(NC(=O)C23CC[NH+](CC2)C3)c1)[NH+]1CCOCC1 ZINC000900578042 1234510318 /nfs/dbraw/zinc/51/03/18/1234510318.db2.gz YLCQUWAOZITEHY-OAHLLOKOSA-N 2 2 329.444 2.114 10 0 EEAELP C/C(=C\C(=O)Nc1ccc(C)cc1C[NH+](C)C)C[NH+]1CCOCC1 ZINC000900713582 1234693013 /nfs/dbraw/zinc/69/30/13/1234693013.db2.gz OJFWWMDOAFNZOC-FOWTUZBSSA-N 2 2 331.460 2.274 10 0 EEAELP CCCn1cc([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)nn1 ZINC000902921049 1239097896 /nfs/dbraw/zinc/09/78/96/1239097896.db2.gz OYOJFXHEUQDWHP-HOCLYGCPSA-N 2 2 343.479 2.397 10 0 EEAELP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903958157 1242724108 /nfs/dbraw/zinc/72/41/08/1242724108.db2.gz WCKMLBAYNGLYLS-ZDUSSCGKSA-N 2 2 336.386 2.215 10 0 EEAELP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903973875 1242809437 /nfs/dbraw/zinc/80/94/37/1242809437.db2.gz KAKYQVJJGRCNHZ-QGZVFWFLSA-N 2 2 344.434 2.464 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001491234900 1258821107 /nfs/dbraw/zinc/82/11/07/1258821107.db2.gz OGYRQLSOKHUWIZ-SJORKVTESA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC001491234900 1258821111 /nfs/dbraw/zinc/82/11/11/1258821111.db2.gz OGYRQLSOKHUWIZ-SJORKVTESA-N 2 2 348.491 2.048 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001491507052 1259157353 /nfs/dbraw/zinc/15/73/53/1259157353.db2.gz GWTYGAUGFQWKMJ-HOCLYGCPSA-N 2 2 330.476 2.120 10 0 EEAELP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001273458048 1278448549 /nfs/dbraw/zinc/44/85/49/1278448549.db2.gz MKEWPWSHUBNJPR-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP O=[S@@](CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)CC(F)(F)F ZINC000850347922 1277191876 /nfs/dbraw/zinc/19/18/76/1277191876.db2.gz ARGGQFTUUTYHHG-NRFANRHFSA-N 2 2 337.392 2.334 10 0 EEAELP CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001273599551 1280834747 /nfs/dbraw/zinc/83/47/47/1280834747.db2.gz SQYBXNKFYATNCR-KDURUIRLSA-N 2 2 349.519 2.129 10 0 EEAELP CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CC=C(C)C)CC1 ZINC001273599551 1280834761 /nfs/dbraw/zinc/83/47/61/1280834761.db2.gz SQYBXNKFYATNCR-KDURUIRLSA-N 2 2 349.519 2.129 10 0 EEAELP CCO[C@@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC001489338525 1290523267 /nfs/dbraw/zinc/52/32/67/1290523267.db2.gz LTJHBVHZSUCIDQ-ROUUACIJSA-N 2 2 348.491 2.080 10 0 EEAELP CCO[C@@H](C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC001489338525 1290523278 /nfs/dbraw/zinc/52/32/78/1290523278.db2.gz LTJHBVHZSUCIDQ-ROUUACIJSA-N 2 2 348.491 2.080 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCc2ccccc2C1 ZINC001490263213 1291147730 /nfs/dbraw/zinc/14/77/30/1291147730.db2.gz DZMNECNLNMULPI-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@@H]1CCc2ccccc2C1 ZINC001490263213 1291147743 /nfs/dbraw/zinc/14/77/43/1291147743.db2.gz DZMNECNLNMULPI-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1csc(Cl)n1 ZINC001490356870 1291297683 /nfs/dbraw/zinc/29/76/83/1291297683.db2.gz LBBBZCIUUWNYRV-GFCCVEGCSA-N 2 2 344.912 2.076 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1csc(Cl)n1 ZINC001490356870 1291297688 /nfs/dbraw/zinc/29/76/88/1291297688.db2.gz LBBBZCIUUWNYRV-GFCCVEGCSA-N 2 2 344.912 2.076 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1csc(Cl)n1 ZINC001490356870 1291297694 /nfs/dbraw/zinc/29/76/94/1291297694.db2.gz LBBBZCIUUWNYRV-GFCCVEGCSA-N 2 2 344.912 2.076 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1csc(Cl)n1 ZINC001490356870 1291297700 /nfs/dbraw/zinc/29/77/00/1291297700.db2.gz LBBBZCIUUWNYRV-GFCCVEGCSA-N 2 2 344.912 2.076 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001490421726 1291332461 /nfs/dbraw/zinc/33/24/61/1291332461.db2.gz MRRNLYFSMRSEBS-UHFFFAOYSA-N 2 2 348.491 2.317 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001490421726 1291332468 /nfs/dbraw/zinc/33/24/68/1291332468.db2.gz MRRNLYFSMRSEBS-UHFFFAOYSA-N 2 2 348.491 2.317 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001490724585 1291609524 /nfs/dbraw/zinc/60/95/24/1291609524.db2.gz UOJZEEDMBKPGME-MRXNPFEDSA-N 2 2 330.476 2.407 10 0 EEAELP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000851803576 1291848150 /nfs/dbraw/zinc/84/81/50/1291848150.db2.gz SFLZCBJHCWILKS-CYBMUJFWSA-N 2 2 331.353 2.174 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc(=O)oc3cc(O)ccc23)CCO1 ZINC000852760388 1292189379 /nfs/dbraw/zinc/18/93/79/1292189379.db2.gz FDXZCRBUJCQSFB-INIZCTEOSA-N 2 2 346.427 2.041 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc(=O)oc3cc(O)ccc23)CCO1 ZINC000852760388 1292189384 /nfs/dbraw/zinc/18/93/84/1292189384.db2.gz FDXZCRBUJCQSFB-INIZCTEOSA-N 2 2 346.427 2.041 10 0 EEAELP Cc1nnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)o1 ZINC000856597130 1293577669 /nfs/dbraw/zinc/57/76/69/1293577669.db2.gz DVCJGJKQACPOLB-KRWDZBQOSA-N 2 2 345.447 2.267 10 0 EEAELP Cc1nnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)o1 ZINC000856597130 1293577677 /nfs/dbraw/zinc/57/76/77/1293577677.db2.gz DVCJGJKQACPOLB-KRWDZBQOSA-N 2 2 345.447 2.267 10 0 EEAELP Cc1nnc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)o1 ZINC000856597130 1293577681 /nfs/dbraw/zinc/57/76/81/1293577681.db2.gz DVCJGJKQACPOLB-KRWDZBQOSA-N 2 2 345.447 2.267 10 0 EEAELP Cc1nnc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)o1 ZINC000856597130 1293577687 /nfs/dbraw/zinc/57/76/87/1293577687.db2.gz DVCJGJKQACPOLB-KRWDZBQOSA-N 2 2 345.447 2.267 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cn2)CC1 ZINC000857849459 1293930175 /nfs/dbraw/zinc/93/01/75/1293930175.db2.gz XXNOPUIWEJTEGH-KRWDZBQOSA-N 2 2 340.475 2.114 10 0 EEAELP CCO[C@H](C[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)C[NH+](C)C ZINC000926961507 1296971392 /nfs/dbraw/zinc/97/13/92/1296971392.db2.gz JJVSBQVBKJEYMW-DFQSSKMNSA-N 2 2 349.519 2.005 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CCCC2CCOCC2)C1 ZINC001278595645 1317311041 /nfs/dbraw/zinc/31/10/41/1317311041.db2.gz XILRCTWYLOEZJJ-SJORKVTESA-N 2 2 348.491 2.034 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001264092275 1322616890 /nfs/dbraw/zinc/61/68/90/1322616890.db2.gz SQUUPTDAPJNGBW-SQNIBIBYSA-N 2 2 344.503 2.416 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@@H]2C1 ZINC001264092275 1322616896 /nfs/dbraw/zinc/61/68/96/1322616896.db2.gz SQUUPTDAPJNGBW-SQNIBIBYSA-N 2 2 344.503 2.416 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)F)C1)[NH+](C)C ZINC001264487298 1322709029 /nfs/dbraw/zinc/70/90/29/1322709029.db2.gz YTDQCFKBUFHLRZ-TUAOUCFPSA-N 2 2 341.393 2.102 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCCC[C@@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC001266237940 1323822551 /nfs/dbraw/zinc/82/25/51/1323822551.db2.gz GUXNSPKEQXHJMK-MRXNPFEDSA-N 2 2 345.422 2.047 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCCC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC001266237940 1323822556 /nfs/dbraw/zinc/82/25/56/1323822556.db2.gz GUXNSPKEQXHJMK-MRXNPFEDSA-N 2 2 345.422 2.047 10 0 EEAELP CCC1([NH2+]CCOCC2CCC2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001281030885 1324730173 /nfs/dbraw/zinc/73/01/73/1324730173.db2.gz DJNDEMIJVFKYLP-UHFFFAOYSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001283249213 1325970694 /nfs/dbraw/zinc/97/06/94/1325970694.db2.gz MTSBRVRHPFGVMJ-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP C[N@H+](CCOCCNC(=O)c1cccc2[nH+]ccn21)CCC(C)(C)C ZINC001283397588 1326048329 /nfs/dbraw/zinc/04/83/29/1326048329.db2.gz CCPJVAOVURERIK-UHFFFAOYSA-N 2 2 346.475 2.449 10 0 EEAELP C[N@@H+](CCOCCNC(=O)c1cccc2[nH+]ccn21)CCC(C)(C)C ZINC001283397588 1326048330 /nfs/dbraw/zinc/04/83/30/1326048330.db2.gz CCPJVAOVURERIK-UHFFFAOYSA-N 2 2 346.475 2.449 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001284247999 1326473973 /nfs/dbraw/zinc/47/39/73/1326473973.db2.gz SEYZJUPINNZZHH-RYUDHWBXSA-N 2 2 331.247 2.077 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1nc2c(o1)CCCC2 ZINC001491682141 1330203916 /nfs/dbraw/zinc/20/39/16/1330203916.db2.gz JGUUDRNEHZWKAR-ZBFHGGJFSA-N 2 2 348.491 2.022 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001491814692 1330261769 /nfs/dbraw/zinc/26/17/69/1330261769.db2.gz RMMVBZXTSFONBH-QCDWVSHVSA-N 2 2 330.476 2.240 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001491842017 1330270930 /nfs/dbraw/zinc/27/09/30/1330270930.db2.gz IKOACKMIWSYXIM-QGZVFWFLSA-N 2 2 326.444 2.023 10 0 EEAELP CCOCCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001491958598 1330352171 /nfs/dbraw/zinc/35/21/71/1330352171.db2.gz FEHZMFXOIWTAOB-HNNXBMFYSA-N 2 2 336.480 2.037 10 0 EEAELP CCOCCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001491958598 1330352172 /nfs/dbraw/zinc/35/21/72/1330352172.db2.gz FEHZMFXOIWTAOB-HNNXBMFYSA-N 2 2 336.480 2.037 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCc2ccc(F)cc21 ZINC001492286108 1331138836 /nfs/dbraw/zinc/13/88/36/1331138836.db2.gz FQYBBFXOBSYXNJ-NUJGCVRESA-N 2 2 342.418 2.388 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[C@H]1CCc2ccc(F)cc21 ZINC001492286108 1331138838 /nfs/dbraw/zinc/13/88/38/1331138838.db2.gz FQYBBFXOBSYXNJ-NUJGCVRESA-N 2 2 342.418 2.388 10 0 EEAELP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1cscn1 ZINC001316824567 1331915135 /nfs/dbraw/zinc/91/51/35/1331915135.db2.gz JUKUPVIPLNDFRL-UHFFFAOYSA-N 2 2 338.521 2.346 10 0 EEAELP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1cscn1 ZINC001316824567 1331915138 /nfs/dbraw/zinc/91/51/38/1331915138.db2.gz JUKUPVIPLNDFRL-UHFFFAOYSA-N 2 2 338.521 2.346 10 0 EEAELP Cc1ncc(C[N@H+](C)CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001316870106 1331940718 /nfs/dbraw/zinc/94/07/18/1331940718.db2.gz MMMLSAYRTMGNTH-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001316870106 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SJJPUXPHHANEEJ-NWDGAFQWSA-N 2 2 345.274 2.345 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NC1C[NH+](CCCCc2ccccc2)C1 ZINC001318037131 1332463624 /nfs/dbraw/zinc/46/36/24/1332463624.db2.gz CIYCLLGVLATKEW-LJQANCHMSA-N 2 2 329.488 2.294 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319537693 1332717266 /nfs/dbraw/zinc/71/72/66/1332717266.db2.gz JHWWSWFGKKOAFP-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001319767883 1332762625 /nfs/dbraw/zinc/76/26/25/1332762625.db2.gz REDIGZADUKQGCC-DLBZAZTESA-N 2 2 330.476 2.216 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001319865832 1332788682 /nfs/dbraw/zinc/78/86/82/1332788682.db2.gz XVRNJWMQBNGOKE-TZMCWYRMSA-N 2 2 346.397 2.132 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001320587153 1332915780 /nfs/dbraw/zinc/91/57/80/1332915780.db2.gz JMZXBXDPUXDDBW-CYBMUJFWSA-N 2 2 334.851 2.333 10 0 EEAELP 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IFZUAVQYFHTOEK-YOEHRIQHSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[N@H+](C)[C@@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001570712306 1343106469 /nfs/dbraw/zinc/10/64/69/1343106469.db2.gz IFZUAVQYFHTOEK-YOEHRIQHSA-N 2 2 333.480 2.193 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001571143720 1343164718 /nfs/dbraw/zinc/16/47/18/1343164718.db2.gz IOTPGPIZLCBXLJ-RFFVGKEASA-N 2 2 338.455 2.471 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001571465230 1343214091 /nfs/dbraw/zinc/21/40/91/1343214091.db2.gz ZYICQEXXMLDWER-AEFFLSMTSA-N 2 2 340.471 2.472 10 0 EEAELP CN(C(=O)C1CC[NH+](C)CC1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001671168122 1352646665 /nfs/dbraw/zinc/64/66/65/1352646665.db2.gz RWBPKWXXGKGTSL-UHFFFAOYSA-N 2 2 335.414 2.203 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ncc(C(C)(C)C)o1)NC(=O)Cn1cc[nH+]c1 ZINC001649474036 1353525538 /nfs/dbraw/zinc/52/55/38/1353525538.db2.gz QCNQAEZEGMSJMP-CQSZACIVSA-N 2 2 347.463 2.243 10 0 EEAELP 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10 0 EEAELP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001698828745 1405095539 /nfs/dbraw/zinc/09/55/39/1405095539.db2.gz KLVGLUSYOMGGQJ-NWANDNLSSA-N 2 2 332.473 2.254 10 0 EEAELP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001698828745 1405095548 /nfs/dbraw/zinc/09/55/48/1405095548.db2.gz KLVGLUSYOMGGQJ-NWANDNLSSA-N 2 2 332.473 2.254 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCC1CCOCC1)c1cccc2[nH+]ccn21 ZINC001699285140 1405315908 /nfs/dbraw/zinc/31/59/08/1405315908.db2.gz FMVRNQHVNBGEDI-UPHRSURJSA-N 2 2 342.443 2.027 10 0 EEAELP Cc1ncsc1C[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001699521848 1405371921 /nfs/dbraw/zinc/37/19/21/1405371921.db2.gz JQUPRTYWINEWTQ-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP COC[C@H](CCC[NH3+])[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000817897608 785053622 /nfs/dbraw/zinc/05/36/22/785053622.db2.gz TVDSTAURIKNQBX-KRWDZBQOSA-N 3 2 334.508 2.065 10 0 EEAELP Cn1nnc2c1C[C@@H]([NH2+][C@H]1C[N@H+](Cc3ccccc3)C(C)(C)C1)CC2 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1090728181 /nfs/dbraw/zinc/72/81/81/1090728181.db2.gz LQAJJMAVJYFNIX-MRXNPFEDSA-N 2 2 336.480 2.056 10 0 EEAELP CCC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001438245852 1090728185 /nfs/dbraw/zinc/72/81/85/1090728185.db2.gz LQAJJMAVJYFNIX-MRXNPFEDSA-N 2 2 336.480 2.056 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1)[NH+](C)C ZINC001438261520 1090742650 /nfs/dbraw/zinc/74/26/50/1090742650.db2.gz OAAFPAGYFAWANJ-JKSUJKDBSA-N 2 2 348.491 2.315 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)C1)[NH+](C)C ZINC001438261520 1090742655 /nfs/dbraw/zinc/74/26/55/1090742655.db2.gz OAAFPAGYFAWANJ-JKSUJKDBSA-N 2 2 348.491 2.315 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCc1ccccc1 ZINC001438331887 1090806422 /nfs/dbraw/zinc/80/64/22/1090806422.db2.gz DCNQWMPNTFOREY-ROUUACIJSA-N 2 2 340.471 2.173 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001438368206 1090844732 /nfs/dbraw/zinc/84/47/32/1090844732.db2.gz 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LUTZHBAPYIKLMX-APWZRJJASA-N 2 2 340.471 2.321 10 0 EEAELP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1cccnc1 ZINC001441035909 1094329645 /nfs/dbraw/zinc/32/96/45/1094329645.db2.gz LUTZHBAPYIKLMX-APWZRJJASA-N 2 2 340.471 2.321 10 0 EEAELP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001441384620 1094931305 /nfs/dbraw/zinc/93/13/05/1094931305.db2.gz PETFKLZCRHSOAA-ZDUSSCGKSA-N 2 2 340.443 2.021 10 0 EEAELP CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001441384620 1094931312 /nfs/dbraw/zinc/93/13/12/1094931312.db2.gz PETFKLZCRHSOAA-ZDUSSCGKSA-N 2 2 340.443 2.021 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001441455800 1095104761 /nfs/dbraw/zinc/10/47/61/1095104761.db2.gz JNPGRFWNMPENKR-CXAGYDPISA-N 2 2 345.447 2.157 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001441508855 1095197087 /nfs/dbraw/zinc/19/70/87/1095197087.db2.gz GVOHGPPKSQYJOH-HUUCEWRRSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nccs1 ZINC001441515710 1095211984 /nfs/dbraw/zinc/21/19/84/1095211984.db2.gz YXMXXFSZMOKCOE-UONOGXRCSA-N 2 2 349.504 2.490 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(F)cc1 ZINC001441551635 1095282475 /nfs/dbraw/zinc/28/24/75/1095282475.db2.gz FFMGTGZOAHQIFK-GDBMZVCRSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC[C@H]1CCCCO1 ZINC001441645253 1095573140 /nfs/dbraw/zinc/57/31/40/1095573140.db2.gz IFQLKWRMKXAFCT-HUUCEWRRSA-N 2 2 336.480 2.083 10 0 EEAELP CC(C)C[C@H](C(=O)N1CC[C@H]([NH2+]Cc2nccs2)C1)n1cc[nH+]c1 ZINC001442087810 1096307022 /nfs/dbraw/zinc/30/70/22/1096307022.db2.gz AEYZVZARGGAXDQ-LSDHHAIUSA-N 2 2 347.488 2.318 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]Cc1cncs1)NC(=O)CCn1cc[nH+]c1 ZINC001442141774 1096389443 /nfs/dbraw/zinc/38/94/43/1096389443.db2.gz LIQJZAGWLLOARZ-CQSZACIVSA-N 2 2 335.477 2.050 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C(C)(C)C ZINC001442171359 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10 0 EEAELP C[C@H](CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccns2)C1)n1cc[nH+]c1 ZINC001443250380 1097724944 /nfs/dbraw/zinc/72/49/44/1097724944.db2.gz REIMROFZNAYJNH-HUUCEWRRSA-N 2 2 347.488 2.319 10 0 EEAELP C[C@H](CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccns2)C1)n1cc[nH+]c1 ZINC001443250380 1097724949 /nfs/dbraw/zinc/72/49/49/1097724949.db2.gz REIMROFZNAYJNH-HUUCEWRRSA-N 2 2 347.488 2.319 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001443882138 1098408776 /nfs/dbraw/zinc/40/87/76/1098408776.db2.gz SCBKCGHVTQCKHD-MRXNPFEDSA-N 2 2 336.480 2.054 10 0 EEAELP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001443882138 1098408778 /nfs/dbraw/zinc/40/87/78/1098408778.db2.gz SCBKCGHVTQCKHD-MRXNPFEDSA-N 2 2 336.480 2.054 10 0 EEAELP CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001443882138 1098408781 /nfs/dbraw/zinc/40/87/81/1098408781.db2.gz SCBKCGHVTQCKHD-MRXNPFEDSA-N 2 2 336.480 2.054 10 0 EEAELP CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001443882138 1098408783 /nfs/dbraw/zinc/40/87/83/1098408783.db2.gz SCBKCGHVTQCKHD-MRXNPFEDSA-N 2 2 336.480 2.054 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C)oc1C ZINC001479708416 1098786040 /nfs/dbraw/zinc/78/60/40/1098786040.db2.gz MPAWVAQJXLFULA-PVAVHDDUSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C)oc1C ZINC001479708416 1098786051 /nfs/dbraw/zinc/78/60/51/1098786051.db2.gz MPAWVAQJXLFULA-PVAVHDDUSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@H]2C)oc1C ZINC001479708416 1098786062 /nfs/dbraw/zinc/78/60/62/1098786062.db2.gz MPAWVAQJXLFULA-PVAVHDDUSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)[C@H]2C)oc1C ZINC001479708416 1098786074 /nfs/dbraw/zinc/78/60/74/1098786074.db2.gz MPAWVAQJXLFULA-PVAVHDDUSA-N 2 2 348.491 2.245 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCc2c1c(F)ccc2F)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444689575 1099539827 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ZINC001496743093 1101383492 /nfs/dbraw/zinc/38/34/92/1101383492.db2.gz SWMJYJAWESGOFI-UHFFFAOYSA-N 2 2 336.386 2.060 10 0 EEAELP CC[C@H](F)C[N@H+](C)CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001496808568 1101509964 /nfs/dbraw/zinc/50/99/64/1101509964.db2.gz IZXMIRJNQBAXFU-HNNXBMFYSA-N 2 2 333.411 2.019 10 0 EEAELP CC[C@H](F)C[N@@H+](C)CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001496808568 1101509988 /nfs/dbraw/zinc/50/99/88/1101509988.db2.gz IZXMIRJNQBAXFU-HNNXBMFYSA-N 2 2 333.411 2.019 10 0 EEAELP CN(CC[N@H+](C)CCc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001496816445 1101525337 /nfs/dbraw/zinc/52/53/37/1101525337.db2.gz IPZKCLWXOWTMIX-UHFFFAOYSA-N 2 2 328.460 2.320 10 0 EEAELP CN(CC[N@@H+](C)CCc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001496816445 1101525342 /nfs/dbraw/zinc/52/53/42/1101525342.db2.gz IPZKCLWXOWTMIX-UHFFFAOYSA-N 2 2 328.460 2.320 10 0 EEAELP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)CCc1c[nH+]cn1C ZINC001496827363 1101546723 /nfs/dbraw/zinc/54/67/23/1101546723.db2.gz 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C[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001496168916 1102161764 /nfs/dbraw/zinc/16/17/64/1102161764.db2.gz GVIKTZYBMFRUQC-AWEZNQCLSA-N 2 2 326.444 2.466 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)o1 ZINC001496171234 1102167646 /nfs/dbraw/zinc/16/76/46/1102167646.db2.gz KJFYPUUDWAODFY-CHWSQXEVSA-N 2 2 333.436 2.076 10 0 EEAELP CCc1noc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001496174183 1102171746 /nfs/dbraw/zinc/17/17/46/1102171746.db2.gz XJFVIKLUFMMESV-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)CCc1c[nH+]cn1C ZINC001497311699 1102297068 /nfs/dbraw/zinc/29/70/68/1102297068.db2.gz JAOHSZXOPPXBQQ-AWEZNQCLSA-N 2 2 332.423 2.176 10 0 EEAELP CCN(CC[NH2+]CCc1cccs1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497455056 1102515309 /nfs/dbraw/zinc/51/53/09/1102515309.db2.gz GZJXHFOABCUCEV-HZPDHXFCSA-N 2 2 346.500 2.266 10 0 EEAELP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001497457283 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2.255 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC1=CCCCC1 ZINC001497679278 1102889597 /nfs/dbraw/zinc/88/95/97/1102889597.db2.gz HJYZVQRQTZFLQY-MBZYTVFJSA-N 2 2 328.460 2.286 10 0 EEAELP CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001497839717 1103173834 /nfs/dbraw/zinc/17/38/34/1103173834.db2.gz IZEHCRNKAQERBF-CRAIPNDOSA-N 2 2 340.471 2.302 10 0 EEAELP CCCC[N@@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001494019355 1103359976 /nfs/dbraw/zinc/35/99/76/1103359976.db2.gz RDONMDCSQRWADU-MRXNPFEDSA-N 2 2 332.492 2.390 10 0 EEAELP CCCC[N@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001494019355 1103359990 /nfs/dbraw/zinc/35/99/90/1103359990.db2.gz RDONMDCSQRWADU-MRXNPFEDSA-N 2 2 332.492 2.390 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1conc1C ZINC001448037493 1103862044 /nfs/dbraw/zinc/86/20/44/1103862044.db2.gz MAEUXQITIPVUKJ-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1conc1C ZINC001448037493 1103862060 /nfs/dbraw/zinc/86/20/60/1103862060.db2.gz MAEUXQITIPVUKJ-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCCC1CCC1 ZINC001448043886 1103883120 /nfs/dbraw/zinc/88/31/20/1103883120.db2.gz ITHOVKFBSDGLCA-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCCC1CCC1 ZINC001448043886 1103883130 /nfs/dbraw/zinc/88/31/30/1103883130.db2.gz ITHOVKFBSDGLCA-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)c1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCC[NH+](C)C)n1 ZINC001494666324 1104253199 /nfs/dbraw/zinc/25/31/99/1104253199.db2.gz FGPVNDXQMQNISG-ROUUACIJSA-N 2 2 344.503 2.332 10 0 EEAELP CC(C)c1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCC[NH+](C)C)n1 ZINC001494666324 1104253202 /nfs/dbraw/zinc/25/32/02/1104253202.db2.gz FGPVNDXQMQNISG-ROUUACIJSA-N 2 2 344.503 2.332 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1 ZINC001448312536 1104365921 /nfs/dbraw/zinc/36/59/21/1104365921.db2.gz FSVCLWMWNHBSDT-AWEZNQCLSA-N 2 2 331.460 2.259 10 0 EEAELP CC[C@@H](C(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001452612829 1105604983 /nfs/dbraw/zinc/60/49/83/1105604983.db2.gz UVWPLHXPNQDMOW-IXDOHACOSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@@H](C(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001452612829 1105604990 /nfs/dbraw/zinc/60/49/90/1105604990.db2.gz UVWPLHXPNQDMOW-IXDOHACOSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001452612829 1105604992 /nfs/dbraw/zinc/60/49/92/1105604992.db2.gz UVWPLHXPNQDMOW-IXDOHACOSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001452612829 1105604994 /nfs/dbraw/zinc/60/49/94/1105604994.db2.gz UVWPLHXPNQDMOW-IXDOHACOSA-N 2 2 339.524 2.065 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001480735149 1107007797 /nfs/dbraw/zinc/00/77/97/1107007797.db2.gz QSCLHKUCUCWDAH-HNNXBMFYSA-N 2 2 338.521 2.134 10 0 EEAELP Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001480735149 1107007810 /nfs/dbraw/zinc/00/78/10/1107007810.db2.gz QSCLHKUCUCWDAH-HNNXBMFYSA-N 2 2 338.521 2.134 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC001480829582 1107217330 /nfs/dbraw/zinc/21/73/30/1107217330.db2.gz MBKXHUXXMUSERJ-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CCC[C@H]2CCCNC(=O)Cc2c[nH]c[nH+]2)o1 ZINC001480829582 1107217340 /nfs/dbraw/zinc/21/73/40/1107217340.db2.gz MBKXHUXXMUSERJ-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1ccncc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001480830268 1107218187 /nfs/dbraw/zinc/21/81/87/1107218187.db2.gz UJSVDFSIVGDYAT-GOSISDBHSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1ccncc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001480830268 1107218196 /nfs/dbraw/zinc/21/81/96/1107218196.db2.gz UJSVDFSIVGDYAT-GOSISDBHSA-N 2 2 341.459 2.217 10 0 EEAELP C[C@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]cn1C ZINC001498440577 1107534402 /nfs/dbraw/zinc/53/44/02/1107534402.db2.gz MFPLBDCPKBZCCX-ZIAGYGMSSA-N 2 2 342.434 2.225 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]cn1C ZINC001498440577 1107534409 /nfs/dbraw/zinc/53/44/09/1107534409.db2.gz MFPLBDCPKBZCCX-ZIAGYGMSSA-N 2 2 342.434 2.225 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001498464680 1107581573 /nfs/dbraw/zinc/58/15/73/1107581573.db2.gz JOZVOFNCBHVTRC-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001498464680 1107581583 /nfs/dbraw/zinc/58/15/83/1107581583.db2.gz JOZVOFNCBHVTRC-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001498464680 1107581595 /nfs/dbraw/zinc/58/15/95/1107581595.db2.gz JOZVOFNCBHVTRC-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001498464680 1107581599 /nfs/dbraw/zinc/58/15/99/1107581599.db2.gz JOZVOFNCBHVTRC-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCO)c(C)[nH+]1 ZINC001498485670 1107617270 /nfs/dbraw/zinc/61/72/70/1107617270.db2.gz COOMUTZKJWGUNX-IRXDYDNUSA-N 2 2 333.476 2.267 10 0 EEAELP CN(CCC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)c1cccc2[nH+]ccn21 ZINC001498577344 1107751894 /nfs/dbraw/zinc/75/18/94/1107751894.db2.gz KITACPOBHVHFHF-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP CC1(C)CC(C[NH2+]C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C2CC2)C1 ZINC001498781361 1108090137 /nfs/dbraw/zinc/09/01/37/1108090137.db2.gz BLUNLNSTPQKYJV-FUHWJXTLSA-N 2 2 344.503 2.366 10 0 EEAELP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001493832935 1108716230 /nfs/dbraw/zinc/71/62/30/1108716230.db2.gz UBZVDSNGTZJTQV-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC[C@@H](C)F ZINC001493865235 1108755694 /nfs/dbraw/zinc/75/56/94/1108755694.db2.gz RXYRUNAZHBOJJI-CVEARBPZSA-N 2 2 338.471 2.410 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC[C@@H](C)F ZINC001493865235 1108755698 /nfs/dbraw/zinc/75/56/98/1108755698.db2.gz RXYRUNAZHBOJJI-CVEARBPZSA-N 2 2 338.471 2.410 10 0 EEAELP CO[C@H](C)C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001493864295 1108756599 /nfs/dbraw/zinc/75/65/99/1108756599.db2.gz JZMJTKLMQBXCAG-CQSZACIVSA-N 2 2 332.448 2.428 10 0 EEAELP CO[C@H](C)C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001493864295 1108756609 /nfs/dbraw/zinc/75/66/09/1108756609.db2.gz JZMJTKLMQBXCAG-CQSZACIVSA-N 2 2 332.448 2.428 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001479264354 1110672007 /nfs/dbraw/zinc/67/20/07/1110672007.db2.gz POSIWIWRLDBYLW-KBPBESRZSA-N 2 2 340.418 2.229 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC001479264354 1110672009 /nfs/dbraw/zinc/67/20/09/1110672009.db2.gz POSIWIWRLDBYLW-KBPBESRZSA-N 2 2 340.418 2.229 10 0 EEAELP O=C(NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001479462352 1110698320 /nfs/dbraw/zinc/69/83/20/1110698320.db2.gz WWHVVIWVHCOCCB-NCGLCRSPSA-N 2 2 336.867 2.073 10 0 EEAELP CC1CC(C[NH+]2CC(N(C)C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)C1 ZINC001499798778 1112490196 /nfs/dbraw/zinc/49/01/96/1112490196.db2.gz RDCLCIVYKSDGGE-LADRWXRNSA-N 2 2 329.488 2.478 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCC[C@H]2C[NH2+]CCn2cccn2)c(C)[nH+]1 ZINC001499912525 1112537596 /nfs/dbraw/zinc/53/75/96/1112537596.db2.gz NCHVXQKXNKGYOI-KRWDZBQOSA-N 2 2 341.459 2.098 10 0 EEAELP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CCCC1 ZINC001500096674 1112615025 /nfs/dbraw/zinc/61/50/25/1112615025.db2.gz IPTJKIQBJRMAHR-SJORKVTESA-N 2 2 332.492 2.366 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CC[C@@H]1CCCO1)C1CCCC1 ZINC001500122867 1112627782 /nfs/dbraw/zinc/62/77/82/1112627782.db2.gz MHAPLMLLLOYNDH-FUHWJXTLSA-N 2 2 348.491 2.094 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@](C)(CNC(=O)C[NH+]3CCCC3)C2)o1 ZINC001500549710 1112940377 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348.491 2.061 10 0 EEAELP Cc1nocc1C[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001502139033 1113611726 /nfs/dbraw/zinc/61/17/26/1113611726.db2.gz ZXHCNBCJLSHTSX-PBHICJAKSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1nocc1C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001502139033 1113611729 /nfs/dbraw/zinc/61/17/29/1113611729.db2.gz ZXHCNBCJLSHTSX-PBHICJAKSA-N 2 2 345.447 2.302 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ncccn2)CC1(C)C ZINC001502838505 1113829827 /nfs/dbraw/zinc/82/98/27/1113829827.db2.gz HSYSBODTWVJYDD-HZPDHXFCSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ncccn2)CC1(C)C ZINC001502838505 1113829830 /nfs/dbraw/zinc/82/98/30/1113829830.db2.gz HSYSBODTWVJYDD-HZPDHXFCSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ncccn2)CC1(C)C ZINC001502838505 1113829833 /nfs/dbraw/zinc/82/98/33/1113829833.db2.gz HSYSBODTWVJYDD-HZPDHXFCSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ncccn2)CC1(C)C ZINC001502838505 1113829837 /nfs/dbraw/zinc/82/98/37/1113829837.db2.gz HSYSBODTWVJYDD-HZPDHXFCSA-N 2 2 347.507 2.095 10 0 EEAELP COc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)ccc1C ZINC001505663446 1114116836 /nfs/dbraw/zinc/11/68/36/1114116836.db2.gz FDVGCDXOZBBYHL-HZPDHXFCSA-N 2 2 344.459 2.273 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001505733461 1114157662 /nfs/dbraw/zinc/15/76/62/1114157662.db2.gz TYYDYMAXPBSVTO-DLBZAZTESA-N 2 2 342.487 2.387 10 0 EEAELP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cccc(Cl)n1 ZINC001507109329 1115113280 /nfs/dbraw/zinc/11/32/80/1115113280.db2.gz XWSHTWIAIOLDID-CYBMUJFWSA-N 2 2 349.866 2.038 10 0 EEAELP C[C@H](c1ncccn1)[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001508228010 1115453443 /nfs/dbraw/zinc/45/34/43/1115453443.db2.gz BLSDXQLYDZWJIO-MRXNPFEDSA-N 2 2 345.491 2.018 10 0 EEAELP C[C@H](c1ncccn1)[N@@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001508228010 1115453447 /nfs/dbraw/zinc/45/34/47/1115453447.db2.gz BLSDXQLYDZWJIO-MRXNPFEDSA-N 2 2 345.491 2.018 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001568077056 1124282585 /nfs/dbraw/zinc/28/25/85/1124282585.db2.gz VQLAEJGWPPMPBQ-INIZCTEOSA-N 2 2 344.434 2.441 10 0 EEAELP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001568087652 1124291986 /nfs/dbraw/zinc/29/19/86/1124291986.db2.gz IUNHWQGQNHIOEI-ARFHVFGLSA-N 2 2 336.455 2.480 10 0 EEAELP CC[C@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001568087652 1124291991 /nfs/dbraw/zinc/29/19/91/1124291991.db2.gz IUNHWQGQNHIOEI-ARFHVFGLSA-N 2 2 336.455 2.480 10 0 EEAELP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001568306443 1124413454 /nfs/dbraw/zinc/41/34/54/1124413454.db2.gz LXIHWTGSYYKPCB-INIZCTEOSA-N 2 2 337.508 2.034 10 0 EEAELP Cc1cc(C[NH+]2CCC(N(C)C(=O)CCCC[NH+](C)C)CC2)no1 ZINC001566613089 1124422284 /nfs/dbraw/zinc/42/22/84/1124422284.db2.gz DVEPLMINMPFZCU-UHFFFAOYSA-N 2 2 336.480 2.138 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)Cc1c[nH+]cn1C ZINC001569090909 1125092588 /nfs/dbraw/zinc/09/25/88/1125092588.db2.gz ZZEMBEBESSFCPU-RDJZCZTQSA-N 2 2 340.471 2.177 10 0 EEAELP CN(CCC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569211519 1125168068 /nfs/dbraw/zinc/16/80/68/1125168068.db2.gz FZVPIDYDOQBVAW-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP CN(CCC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001569211519 1125168072 /nfs/dbraw/zinc/16/80/72/1125168072.db2.gz FZVPIDYDOQBVAW-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP CN(CCC[NH2+]Cc1nc(C(C)(C)C)cs1)C(=O)Cn1cc[nH+]c1 ZINC001569270712 1125209287 /nfs/dbraw/zinc/20/92/87/1125209287.db2.gz FQUYBDXTSSIJBY-UHFFFAOYSA-N 2 2 349.504 2.275 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccccc1 ZINC000178303815 232129841 /nfs/dbraw/zinc/12/98/41/232129841.db2.gz HFGHGVZVBAEJEO-MRXNPFEDSA-N 2 2 333.457 2.130 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccccc1 ZINC000178303815 232129844 /nfs/dbraw/zinc/12/98/44/232129844.db2.gz HFGHGVZVBAEJEO-MRXNPFEDSA-N 2 2 333.457 2.130 10 0 EEAELP CCc1cc(N(C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)nc(C)[nH+]1 ZINC000281447704 539715837 /nfs/dbraw/zinc/71/58/37/539715837.db2.gz KPYKTYCOQNTVFK-HOCLYGCPSA-N 2 2 346.454 2.130 10 0 EEAELP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000353499508 539892675 /nfs/dbraw/zinc/89/26/75/539892675.db2.gz USLCABIIGXIVKS-IRXDYDNUSA-N 2 2 330.476 2.145 10 0 EEAELP COc1ccc(OCCC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000183811425 235232911 /nfs/dbraw/zinc/23/29/11/235232911.db2.gz XPDUUDIIAHBOGW-UHFFFAOYSA-N 2 2 342.443 2.385 10 0 EEAELP C[NH+]1CCN(Cc2c(-c3ccc(F)cc3)[nH+]c3ccc(N)cn32)CC1 ZINC000036273014 213080352 /nfs/dbraw/zinc/08/03/52/213080352.db2.gz LVWCXNOROBPIPT-UHFFFAOYSA-N 2 2 339.418 2.470 10 0 EEAELP C[NH+]1CCN(Cc2c(-c3cccs3)[nH+]c3ccc(N)cn32)CC1 ZINC000036273081 213080192 /nfs/dbraw/zinc/08/01/92/213080192.db2.gz JYWCCLXBLBUVTH-UHFFFAOYSA-N 2 2 327.457 2.392 10 0 EEAELP COCC[N@H+](CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000071228920 215745892 /nfs/dbraw/zinc/74/58/92/215745892.db2.gz ODDNCIQXHPQJLH-UHFFFAOYSA-N 2 2 332.217 2.363 10 0 EEAELP COCC[N@@H+](CCC(N)=[NH2+])Cc1ccc(F)c(Br)c1 ZINC000071228920 215745894 /nfs/dbraw/zinc/74/58/94/215745894.db2.gz ODDNCIQXHPQJLH-UHFFFAOYSA-N 2 2 332.217 2.363 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3cnn4-c3ccccc3)C[C@@H]21 ZINC000262126473 283580660 /nfs/dbraw/zinc/58/06/60/283580660.db2.gz CQEGZGGUYUUATH-XOKHGSTOSA-N 2 2 334.427 2.379 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000129701746 223082180 /nfs/dbraw/zinc/08/21/80/223082180.db2.gz RQSHYXUMGKLKCB-SFHVURJKSA-N 2 2 328.460 2.261 10 0 EEAELP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000193314283 240103722 /nfs/dbraw/zinc/10/37/22/240103722.db2.gz JPMNXQHTAPCCSM-QWHCGFSZSA-N 2 2 325.403 2.173 10 0 EEAELP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000193314283 240103723 /nfs/dbraw/zinc/10/37/23/240103723.db2.gz JPMNXQHTAPCCSM-QWHCGFSZSA-N 2 2 325.403 2.173 10 0 EEAELP COc1cccc(N2CCC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422755687 240209093 /nfs/dbraw/zinc/20/90/93/240209093.db2.gz GTGYJRKEYHUGOD-PWIZWCRZSA-N 2 2 345.487 2.021 10 0 EEAELP c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(OC2CCCC2)n1 ZINC000422960952 240309304 /nfs/dbraw/zinc/30/93/04/240309304.db2.gz AFXIICILMVMRPB-HKUYNNGSSA-N 2 2 331.460 2.260 10 0 EEAELP CCCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC ZINC000422832455 240251718 /nfs/dbraw/zinc/25/17/18/240251718.db2.gz VDGPXECMPGVEHM-RTBURBONSA-N 2 2 334.460 2.341 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1 ZINC000247193460 243390421 /nfs/dbraw/zinc/39/04/21/243390421.db2.gz WRKVFHRHQXDMBV-RTBURBONSA-N 2 2 329.444 2.234 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1 ZINC000247193460 243390428 /nfs/dbraw/zinc/39/04/28/243390428.db2.gz WRKVFHRHQXDMBV-RTBURBONSA-N 2 2 329.444 2.234 10 0 EEAELP C[C@@H]1CCC[C@](CNC(=O)NCc2ccc[nH+]c2N(C)C)([NH+](C)C)C1 ZINC000080322399 217298257 /nfs/dbraw/zinc/29/82/57/217298257.db2.gz UBRXUZSJPNCRCU-BEFAXECRSA-N 2 2 347.507 2.457 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)[nH+]1 ZINC000092813100 218169710 /nfs/dbraw/zinc/16/97/10/218169710.db2.gz MYFPRZUREXYXSY-OAHLLOKOSA-N 2 2 341.459 2.354 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)[nH+]1 ZINC000092813100 218169712 /nfs/dbraw/zinc/16/97/12/218169712.db2.gz MYFPRZUREXYXSY-OAHLLOKOSA-N 2 2 341.459 2.354 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1O ZINC000093147321 218198867 /nfs/dbraw/zinc/19/88/67/218198867.db2.gz AFXHOFPWWPMPIM-QGZVFWFLSA-N 2 2 333.476 2.003 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1O ZINC000093147321 218198870 /nfs/dbraw/zinc/19/88/70/218198870.db2.gz AFXHOFPWWPMPIM-QGZVFWFLSA-N 2 2 333.476 2.003 10 0 EEAELP Brc1sccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423107816 532980665 /nfs/dbraw/zinc/98/06/65/532980665.db2.gz FGSYKVNHWHUEQL-NEPJUHHUSA-N 2 2 331.279 2.367 10 0 EEAELP O=c1c2ccccc2ncn1CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000117337842 221055312 /nfs/dbraw/zinc/05/53/12/221055312.db2.gz FTSBDNMDGJUWFD-INIZCTEOSA-N 2 2 349.438 2.226 10 0 EEAELP O=c1c2ccccc2ncn1CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000117337842 221055315 /nfs/dbraw/zinc/05/53/15/221055315.db2.gz FTSBDNMDGJUWFD-INIZCTEOSA-N 2 2 349.438 2.226 10 0 EEAELP COC(=O)c1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000271070542 256205180 /nfs/dbraw/zinc/20/51/80/256205180.db2.gz VKASRTVQTMZBRU-SUMWQHHRSA-N 2 2 348.443 2.174 10 0 EEAELP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000271070542 256205182 /nfs/dbraw/zinc/20/51/82/256205182.db2.gz VKASRTVQTMZBRU-SUMWQHHRSA-N 2 2 348.443 2.174 10 0 EEAELP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000271070542 256205183 /nfs/dbraw/zinc/20/51/83/256205183.db2.gz VKASRTVQTMZBRU-SUMWQHHRSA-N 2 2 348.443 2.174 10 0 EEAELP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(C(=O)OC)c1 ZINC000271070542 256205185 /nfs/dbraw/zinc/20/51/85/256205185.db2.gz VKASRTVQTMZBRU-SUMWQHHRSA-N 2 2 348.443 2.174 10 0 EEAELP Cc1ccc([C@](C)(O)C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)o1 ZINC000305174551 258015729 /nfs/dbraw/zinc/01/57/29/258015729.db2.gz VBZLMONEPDGIPM-LJQANCHMSA-N 2 2 329.444 2.445 10 0 EEAELP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000036340429 132392437 /nfs/dbraw/zinc/39/24/37/132392437.db2.gz NUZYCHOWFURCID-OAHLLOKOSA-N 2 2 340.471 2.187 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000120563168 142393149 /nfs/dbraw/zinc/39/31/49/142393149.db2.gz AOSZADOQAZHROD-HOCLYGCPSA-N 2 2 327.831 2.292 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000120563168 142393152 /nfs/dbraw/zinc/39/31/52/142393152.db2.gz AOSZADOQAZHROD-HOCLYGCPSA-N 2 2 327.831 2.292 10 0 EEAELP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC1(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000262880124 152332022 /nfs/dbraw/zinc/33/20/22/152332022.db2.gz FHUUFGKTLMIYQR-GJZGRUSLSA-N 2 2 330.476 2.420 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccsc1 ZINC000262922698 152339050 /nfs/dbraw/zinc/33/90/50/152339050.db2.gz HANFJJYUDSFWPO-QWHCGFSZSA-N 2 2 331.432 2.244 10 0 EEAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377343461 154153033 /nfs/dbraw/zinc/15/30/33/154153033.db2.gz DOBVIVXDUBRDJG-HUUCEWRRSA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377343461 154153037 /nfs/dbraw/zinc/15/30/37/154153037.db2.gz DOBVIVXDUBRDJG-HUUCEWRRSA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377343461 154153043 /nfs/dbraw/zinc/15/30/43/154153043.db2.gz DOBVIVXDUBRDJG-HUUCEWRRSA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377343461 154153053 /nfs/dbraw/zinc/15/30/53/154153053.db2.gz DOBVIVXDUBRDJG-HUUCEWRRSA-N 2 2 347.507 2.467 10 0 EEAELP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000248801565 160362171 /nfs/dbraw/zinc/36/21/71/160362171.db2.gz GBDVBBDMVYUNSZ-ZOBUZTSGSA-N 2 2 326.400 2.041 10 0 EEAELP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000248801565 160362172 /nfs/dbraw/zinc/36/21/72/160362172.db2.gz GBDVBBDMVYUNSZ-ZOBUZTSGSA-N 2 2 326.400 2.041 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261596041 160399780 /nfs/dbraw/zinc/39/97/80/160399780.db2.gz ADRDONYZEVRTSC-LBPRGKRZSA-N 2 2 329.897 2.419 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261596041 160399781 /nfs/dbraw/zinc/39/97/81/160399781.db2.gz ADRDONYZEVRTSC-LBPRGKRZSA-N 2 2 329.897 2.419 10 0 EEAELP C[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000074767041 159069136 /nfs/dbraw/zinc/06/91/36/159069136.db2.gz PYWPGPPEUQPBFK-QGZVFWFLSA-N 2 2 336.524 2.378 10 0 EEAELP CN(CC1CC1)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110091 159080200 /nfs/dbraw/zinc/08/02/00/159080200.db2.gz RKBAUQCECPGOTD-LJQANCHMSA-N 2 2 329.488 2.309 10 0 EEAELP CN(CC1CC1)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110091 159080203 /nfs/dbraw/zinc/08/02/03/159080203.db2.gz RKBAUQCECPGOTD-LJQANCHMSA-N 2 2 329.488 2.309 10 0 EEAELP CN(CC1CC1)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110091 159080205 /nfs/dbraw/zinc/08/02/05/159080205.db2.gz RKBAUQCECPGOTD-LJQANCHMSA-N 2 2 329.488 2.309 10 0 EEAELP CN(CC1CC1)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110091 159080208 /nfs/dbraw/zinc/08/02/08/159080208.db2.gz RKBAUQCECPGOTD-LJQANCHMSA-N 2 2 329.488 2.309 10 0 EEAELP COCCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000092079027 159214089 /nfs/dbraw/zinc/21/40/89/159214089.db2.gz BFFAJDHSMNRWMV-QGZVFWFLSA-N 2 2 348.487 2.397 10 0 EEAELP COCCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000092079027 159214090 /nfs/dbraw/zinc/21/40/90/159214090.db2.gz BFFAJDHSMNRWMV-QGZVFWFLSA-N 2 2 348.487 2.397 10 0 EEAELP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCOC)s1 ZINC000092745384 159226173 /nfs/dbraw/zinc/22/61/73/159226173.db2.gz FSJBYAXYBUWWMC-HIFRSBDPSA-N 2 2 341.521 2.402 10 0 EEAELP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)s1 ZINC000092745384 159226174 /nfs/dbraw/zinc/22/61/74/159226174.db2.gz FSJBYAXYBUWWMC-HIFRSBDPSA-N 2 2 341.521 2.402 10 0 EEAELP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)nc4sc(C)cn34)C2)CC1 ZINC000093133247 159230338 /nfs/dbraw/zinc/23/03/38/159230338.db2.gz DPKUERMEVYVEBV-INIZCTEOSA-N 2 2 347.532 2.224 10 0 EEAELP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)nc4sc(C)cn34)C2)CC1 ZINC000093133247 159230341 /nfs/dbraw/zinc/23/03/41/159230341.db2.gz DPKUERMEVYVEBV-INIZCTEOSA-N 2 2 347.532 2.224 10 0 EEAELP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)s1 ZINC000121035780 159399384 /nfs/dbraw/zinc/39/93/84/159399384.db2.gz AZKODRHUBYODEW-KRWDZBQOSA-N 2 2 337.533 2.283 10 0 EEAELP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)s1 ZINC000121035780 159399389 /nfs/dbraw/zinc/39/93/89/159399389.db2.gz AZKODRHUBYODEW-KRWDZBQOSA-N 2 2 337.533 2.283 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)cn21 ZINC000246179726 160266282 /nfs/dbraw/zinc/26/62/82/160266282.db2.gz LSVVHWCHYTZQJK-HOCLYGCPSA-N 2 2 329.448 2.267 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cn21 ZINC000246179726 160266283 /nfs/dbraw/zinc/26/62/83/160266283.db2.gz LSVVHWCHYTZQJK-HOCLYGCPSA-N 2 2 329.448 2.267 10 0 EEAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247307307 160319126 /nfs/dbraw/zinc/31/91/26/160319126.db2.gz QGBGKKMJERVLRV-IKGGRYGDSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247307307 160319127 /nfs/dbraw/zinc/31/91/27/160319127.db2.gz QGBGKKMJERVLRV-IKGGRYGDSA-N 2 2 332.492 2.370 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247782587 160332415 /nfs/dbraw/zinc/33/24/15/160332415.db2.gz UBQQDAYQOZKGOO-RDJZCZTQSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247782587 160332416 /nfs/dbraw/zinc/33/24/16/160332416.db2.gz UBQQDAYQOZKGOO-RDJZCZTQSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247782587 160332417 /nfs/dbraw/zinc/33/24/17/160332417.db2.gz UBQQDAYQOZKGOO-RDJZCZTQSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000247782587 160332418 /nfs/dbraw/zinc/33/24/18/160332418.db2.gz UBQQDAYQOZKGOO-RDJZCZTQSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[C@@]1(C)C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248470220 160348318 /nfs/dbraw/zinc/34/83/18/160348318.db2.gz HSHOOPFPLXCOAZ-LJDZDVQXSA-N 2 2 333.520 2.438 10 0 EEAELP CC(C)[C@@]1(C)C[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248470220 160348319 /nfs/dbraw/zinc/34/83/19/160348319.db2.gz HSHOOPFPLXCOAZ-LJDZDVQXSA-N 2 2 333.520 2.438 10 0 EEAELP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1nccn1C ZINC000341763498 161011629 /nfs/dbraw/zinc/01/16/29/161011629.db2.gz ZOPKCFQMNYKGAC-GOSISDBHSA-N 2 2 328.460 2.493 10 0 EEAELP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000344359148 161220096 /nfs/dbraw/zinc/22/00/96/161220096.db2.gz FGCKNHKVXPKJQN-QAPCUYQASA-N 2 2 326.444 2.466 10 0 EEAELP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000344359148 161220097 /nfs/dbraw/zinc/22/00/97/161220097.db2.gz FGCKNHKVXPKJQN-QAPCUYQASA-N 2 2 326.444 2.466 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354947877 163028224 /nfs/dbraw/zinc/02/82/24/163028224.db2.gz HIXSLGNQPGCXAZ-MRXNPFEDSA-N 2 2 326.444 2.430 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000354947877 163028228 /nfs/dbraw/zinc/02/82/28/163028228.db2.gz HIXSLGNQPGCXAZ-MRXNPFEDSA-N 2 2 326.444 2.430 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453266200 287037750 /nfs/dbraw/zinc/03/77/50/287037750.db2.gz OBCQKEFZWDBESS-IEBWSBKVSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453266200 287037752 /nfs/dbraw/zinc/03/77/52/287037752.db2.gz OBCQKEFZWDBESS-IEBWSBKVSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422879365 287040750 /nfs/dbraw/zinc/04/07/50/287040750.db2.gz KHNHKVALXUNXQI-KYHPRHEASA-N 2 2 332.492 2.315 10 0 EEAELP CC(C)n1nnnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000369650555 166304271 /nfs/dbraw/zinc/30/42/71/166304271.db2.gz WRCJDRYNJQRNAT-DOTOQJQBSA-N 2 2 328.464 2.254 10 0 EEAELP CC(C)n1nnnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000369650555 166304275 /nfs/dbraw/zinc/30/42/75/166304275.db2.gz WRCJDRYNJQRNAT-DOTOQJQBSA-N 2 2 328.464 2.254 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)cn21 ZINC000171765320 227271544 /nfs/dbraw/zinc/27/15/44/227271544.db2.gz UHDBEWYZYKECPL-INIZCTEOSA-N 2 2 327.432 2.022 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3CC[N@H+]4CCCC[C@H]4C3)cn21 ZINC000171765320 227271549 /nfs/dbraw/zinc/27/15/49/227271549.db2.gz UHDBEWYZYKECPL-INIZCTEOSA-N 2 2 327.432 2.022 10 0 EEAELP CCC[C@H](C)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182189473 274010677 /nfs/dbraw/zinc/01/06/77/274010677.db2.gz HXDJHJHKKSMEEH-IRXDYDNUSA-N 2 2 347.507 2.308 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000273123206 274184499 /nfs/dbraw/zinc/18/44/99/274184499.db2.gz RTDHBPSWEJJLEC-AWEZNQCLSA-N 2 2 332.366 2.438 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000273123206 274184503 /nfs/dbraw/zinc/18/45/03/274184503.db2.gz RTDHBPSWEJJLEC-AWEZNQCLSA-N 2 2 332.366 2.438 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000273175307 289351514 /nfs/dbraw/zinc/35/15/14/289351514.db2.gz FTTIEEZMEBYMEG-MRXNPFEDSA-N 2 2 339.430 2.416 10 0 EEAELP COc1ccc(C[C@H](C)C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000423021125 295139799 /nfs/dbraw/zinc/13/97/99/295139799.db2.gz DLRGDWSCLTYWBQ-PNHOKKKMSA-N 2 2 348.487 2.239 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366484743 298139874 /nfs/dbraw/zinc/13/98/74/298139874.db2.gz UPIQIGFAEACJIJ-ZOHWMCIKSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366484743 298139875 /nfs/dbraw/zinc/13/98/75/298139875.db2.gz UPIQIGFAEACJIJ-ZOHWMCIKSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366484743 298139878 /nfs/dbraw/zinc/13/98/78/298139878.db2.gz UPIQIGFAEACJIJ-ZOHWMCIKSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366484743 298139881 /nfs/dbraw/zinc/13/98/81/298139881.db2.gz UPIQIGFAEACJIJ-ZOHWMCIKSA-N 2 2 345.531 2.488 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000332916526 312068311 /nfs/dbraw/zinc/06/83/11/312068311.db2.gz XNTWRJXSZPSKTO-QLFBSQMISA-N 2 2 347.507 2.277 10 0 EEAELP C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C[C@@H]1[NH+](C)C ZINC000332925343 312068980 /nfs/dbraw/zinc/06/89/80/312068980.db2.gz OJHJVZLCMOEMJL-ILXRZTDVSA-N 2 2 347.507 2.087 10 0 EEAELP C[C@H]1C[NH2+]CCN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000333201661 312111767 /nfs/dbraw/zinc/11/17/67/312111767.db2.gz XYVSCJGDBAVPFX-AWEZNQCLSA-N 2 2 337.427 2.427 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2([NH+]3CCOCC3)CCC2)C1 ZINC000360290791 312410342 /nfs/dbraw/zinc/41/03/42/312410342.db2.gz HKYBSLVYDQUINP-KZNAEPCWSA-N 2 2 349.519 2.105 10 0 EEAELP CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417077342 313414939 /nfs/dbraw/zinc/41/49/39/313414939.db2.gz PGCIUURQJGLAOH-QGZVFWFLSA-N 2 2 329.448 2.248 10 0 EEAELP CCc1[nH+]c2ccccc2n1C1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418319381 313781557 /nfs/dbraw/zinc/78/15/57/313781557.db2.gz AURNKLUZRRMURZ-UHFFFAOYSA-N 2 2 329.448 2.294 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000443313671 315240232 /nfs/dbraw/zinc/24/02/32/315240232.db2.gz XNVYQWKCTYJBOM-KRWDZBQOSA-N 2 2 337.895 2.401 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000443313671 315240233 /nfs/dbraw/zinc/24/02/33/315240233.db2.gz XNVYQWKCTYJBOM-KRWDZBQOSA-N 2 2 337.895 2.401 10 0 EEAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000521025764 316889440 /nfs/dbraw/zinc/88/94/40/316889440.db2.gz LQQQPSGVSIRFOJ-VAMGGRTRSA-N 2 2 340.471 2.178 10 0 EEAELP Cc1nnc([C@@H]2CCC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)[nH]1 ZINC000544598528 318192757 /nfs/dbraw/zinc/19/27/57/318192757.db2.gz WOIWLWLVQXTKLI-OAHLLOKOSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1nnc([C@@H]2CCC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)[nH]1 ZINC000544598528 318192762 /nfs/dbraw/zinc/19/27/62/318192762.db2.gz WOIWLWLVQXTKLI-OAHLLOKOSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)n1 ZINC000544598528 318192763 /nfs/dbraw/zinc/19/27/63/318192763.db2.gz WOIWLWLVQXTKLI-OAHLLOKOSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)n1 ZINC000544598528 318192766 /nfs/dbraw/zinc/19/27/66/318192766.db2.gz WOIWLWLVQXTKLI-OAHLLOKOSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1nc([C@@H]2CCC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)n[nH]1 ZINC000544598528 318192768 /nfs/dbraw/zinc/19/27/68/318192768.db2.gz WOIWLWLVQXTKLI-OAHLLOKOSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1nc([C@@H]2CCC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)n[nH]1 ZINC000544598528 318192771 /nfs/dbraw/zinc/19/27/71/318192771.db2.gz WOIWLWLVQXTKLI-OAHLLOKOSA-N 2 2 337.431 2.382 10 0 EEAELP CC(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1(C)C ZINC000547320931 318278945 /nfs/dbraw/zinc/27/89/45/318278945.db2.gz QHPJWJWGMMJXFD-ARFHVFGLSA-N 2 2 348.491 2.093 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000557113371 318669668 /nfs/dbraw/zinc/66/96/68/318669668.db2.gz ACZQXIZIXNMMNQ-CQSZACIVSA-N 2 2 333.823 2.024 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC[NH2+]1 ZINC000568059240 319449927 /nfs/dbraw/zinc/44/99/27/319449927.db2.gz DASYJUOLMSOXQD-OWCLPIDISA-N 2 2 345.491 2.249 10 0 EEAELP COc1ccc(-c2cnc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000571772959 319786394 /nfs/dbraw/zinc/78/63/94/319786394.db2.gz OXYPVVURYMNBHO-UHFFFAOYSA-N 2 2 339.399 2.396 10 0 EEAELP C[N@H+]1CCN(C(=O)CCCc2ccc(C(C)(C)C)cc2)[C@H](C[NH3+])C1 ZINC000575801519 320115306 /nfs/dbraw/zinc/11/53/06/320115306.db2.gz XNHUTACDWANASP-GOSISDBHSA-N 2 2 331.504 2.408 10 0 EEAELP C[C@H](c1cccc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)c1)[NH+]1CCOCC1 ZINC000581319370 324229860 /nfs/dbraw/zinc/22/98/60/324229860.db2.gz 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ZINC000154363726 462759898 /nfs/dbraw/zinc/75/98/98/462759898.db2.gz GEBWZUOVVPWQOX-SJPCQFCGSA-N 2 2 343.471 2.078 10 0 EEAELP Cn1cc([C@@](C)(O)C[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000090187285 462785168 /nfs/dbraw/zinc/78/51/68/462785168.db2.gz AMBCOUFUCWYWJU-QUCCMNQESA-N 2 2 342.487 2.270 10 0 EEAELP Cn1cc([C@@](C)(O)C[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000090187285 462785171 /nfs/dbraw/zinc/78/51/71/462785171.db2.gz AMBCOUFUCWYWJU-QUCCMNQESA-N 2 2 342.487 2.270 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000118772495 462851662 /nfs/dbraw/zinc/85/16/62/462851662.db2.gz CLITVUKEHUFSCL-QGZVFWFLSA-N 2 2 330.476 2.430 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000118772495 462851664 /nfs/dbraw/zinc/85/16/64/462851664.db2.gz CLITVUKEHUFSCL-QGZVFWFLSA-N 2 2 330.476 2.430 10 0 EEAELP C[C@@]1(CNC(=O)NCCn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000155262192 462868301 /nfs/dbraw/zinc/86/83/01/462868301.db2.gz OWFVMUAGTKNDLN-IBGZPJMESA-N 2 2 341.459 2.237 10 0 EEAELP C[C@@]1(CNC(=O)NCCn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1 ZINC000155262192 462868309 /nfs/dbraw/zinc/86/83/09/462868309.db2.gz OWFVMUAGTKNDLN-IBGZPJMESA-N 2 2 341.459 2.237 10 0 EEAELP Cc1[nH+]ccn1-c1cncc(N2CCC[C@H](Cc3[nH+]ccn3C)C2)n1 ZINC000092922711 462991587 /nfs/dbraw/zinc/99/15/87/462991587.db2.gz NEFIQIKJPQHPDR-OAHLLOKOSA-N 2 2 337.431 2.163 10 0 EEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cc[nH+]cc3C)CC2)cn1 ZINC000120521833 463008930 /nfs/dbraw/zinc/00/89/30/463008930.db2.gz GVZLFUGJPXDJPK-UHFFFAOYSA-N 2 2 342.447 2.346 10 0 EEAELP CCn1cc(C[N@H+]2CCCN(C(=O)Nc3cc[nH+]cc3C)CC2)cn1 ZINC000120521833 463008932 /nfs/dbraw/zinc/00/89/32/463008932.db2.gz GVZLFUGJPXDJPK-UHFFFAOYSA-N 2 2 342.447 2.346 10 0 EEAELP C[C@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C[NH+]1CCCC1 ZINC000137120882 463277289 /nfs/dbraw/zinc/27/72/89/463277289.db2.gz XMWJCRDNVCGFGK-SJORKVTESA-N 2 2 347.507 2.116 10 0 EEAELP 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10 0 EEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000106461149 463517837 /nfs/dbraw/zinc/51/78/37/463517837.db2.gz JAGBOQABVHDPCE-GOSISDBHSA-N 2 2 326.444 2.220 10 0 EEAELP Cc1cccc2nc(C[N@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)cn21 ZINC000152295900 463672596 /nfs/dbraw/zinc/67/25/96/463672596.db2.gz CBBLTIFGESPMFG-LJQANCHMSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccc2nc(C[N@@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)cn21 ZINC000152295900 463672600 /nfs/dbraw/zinc/67/26/00/463672600.db2.gz CBBLTIFGESPMFG-LJQANCHMSA-N 2 2 341.503 2.245 10 0 EEAELP CC(C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCc2cccnc21 ZINC000127089468 463681134 /nfs/dbraw/zinc/68/11/34/463681134.db2.gz ZXFQPZNSVBYGPE-SFHVURJKSA-N 2 2 344.503 2.191 10 0 EEAELP CC(C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@H]1CCCc2cccnc21 ZINC000127089468 463681139 /nfs/dbraw/zinc/68/11/39/463681139.db2.gz ZXFQPZNSVBYGPE-SFHVURJKSA-N 2 2 344.503 2.191 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1CNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000112079967 463690109 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Cn1cc(-c2nc([C@@H]3CCCCC[N@H+]3C[C@@H]3CCC[NH2+]C3)no2)cn1 ZINC000261743570 463846737 /nfs/dbraw/zinc/84/67/37/463846737.db2.gz BPBQIJFTXBFZGT-ZBFHGGJFSA-N 2 2 344.463 2.387 10 0 EEAELP Cc1ccoc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261979164 463915759 /nfs/dbraw/zinc/91/57/59/463915759.db2.gz HGKBLQQCJBQPJR-CQSZACIVSA-N 2 2 328.416 2.106 10 0 EEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000262046094 463933420 /nfs/dbraw/zinc/93/34/20/463933420.db2.gz ZCHJVSNDLPXYST-ZSYWTGECSA-N 2 2 335.467 2.175 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178754230 463964163 /nfs/dbraw/zinc/96/41/63/463964163.db2.gz HGSZRIVASAWRHW-INIZCTEOSA-N 2 2 328.416 2.303 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178754230 463964169 /nfs/dbraw/zinc/96/41/69/463964169.db2.gz HGSZRIVASAWRHW-INIZCTEOSA-N 2 2 328.416 2.303 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000172221795 464020232 /nfs/dbraw/zinc/02/02/32/464020232.db2.gz FNYKNYFZALSNLO-MRXNPFEDSA-N 2 2 342.443 2.055 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000172221795 464020233 /nfs/dbraw/zinc/02/02/33/464020233.db2.gz FNYKNYFZALSNLO-MRXNPFEDSA-N 2 2 342.443 2.055 10 0 EEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000263312053 464082796 /nfs/dbraw/zinc/08/27/96/464082796.db2.gz YVYPXTOQUYSAKG-LSDHHAIUSA-N 2 2 329.435 2.098 10 0 EEAELP CCCc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[nH]n1 ZINC000172850959 464154914 /nfs/dbraw/zinc/15/49/14/464154914.db2.gz LUJKHTODTPHMJE-UHFFFAOYSA-N 2 2 347.507 2.042 10 0 EEAELP Cc1c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cccc1N(C)C ZINC000180143235 464252013 /nfs/dbraw/zinc/25/20/13/464252013.db2.gz VSHUKERAMKCGEN-UHFFFAOYSA-N 2 2 347.507 2.209 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000271699527 464365169 /nfs/dbraw/zinc/36/51/69/464365169.db2.gz MIQYKGZWOVSYHD-UHFFFAOYSA-N 2 2 341.459 2.358 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000246460923 464587009 /nfs/dbraw/zinc/58/70/09/464587009.db2.gz GBSHALBEIXJXCB-MAUKXSAKSA-N 2 2 335.467 2.446 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000246460923 464587014 /nfs/dbraw/zinc/58/70/14/464587014.db2.gz GBSHALBEIXJXCB-MAUKXSAKSA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000246460923 464587023 /nfs/dbraw/zinc/58/70/23/464587023.db2.gz GBSHALBEIXJXCB-MAUKXSAKSA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000246460923 464587029 /nfs/dbraw/zinc/58/70/29/464587029.db2.gz GBSHALBEIXJXCB-MAUKXSAKSA-N 2 2 335.467 2.446 10 0 EEAELP Cn1cc([C@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272437546 464608410 /nfs/dbraw/zinc/60/84/10/464608410.db2.gz SFDNCJYJOOBLMS-HAGHYFMRSA-N 2 2 340.471 2.239 10 0 EEAELP Cn1cc([C@H](CO)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272437546 464608415 /nfs/dbraw/zinc/60/84/15/464608415.db2.gz SFDNCJYJOOBLMS-HAGHYFMRSA-N 2 2 340.471 2.239 10 0 EEAELP O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175714069 464608698 /nfs/dbraw/zinc/60/86/98/464608698.db2.gz RIAHFOZCECESIG-MOPGFXCFSA-N 2 2 341.455 2.393 10 0 EEAELP O[C@H](COCc1ccccc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000175714069 464608703 /nfs/dbraw/zinc/60/87/03/464608703.db2.gz RIAHFOZCECESIG-MOPGFXCFSA-N 2 2 341.455 2.393 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000175841439 464640829 /nfs/dbraw/zinc/64/08/29/464640829.db2.gz OZQJMELXURXSBM-MRXNPFEDSA-N 2 2 342.447 2.263 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000265920492 464733360 /nfs/dbraw/zinc/73/33/60/464733360.db2.gz BWUPEMFDJXKYKJ-QAPCUYQASA-N 2 2 326.444 2.486 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1C ZINC000265920492 464733369 /nfs/dbraw/zinc/73/33/69/464733369.db2.gz BWUPEMFDJXKYKJ-QAPCUYQASA-N 2 2 326.444 2.486 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CCO1 ZINC000275502787 464777176 /nfs/dbraw/zinc/77/71/76/464777176.db2.gz JUDGGUMFYPDMGO-PBHICJAKSA-N 2 2 329.400 2.201 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248657597 464783009 /nfs/dbraw/zinc/78/30/09/464783009.db2.gz SMMIJBWTUSNZPG-SFTDATJTSA-N 2 2 339.483 2.439 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248657597 464783011 /nfs/dbraw/zinc/78/30/11/464783011.db2.gz SMMIJBWTUSNZPG-SFTDATJTSA-N 2 2 339.483 2.439 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248657597 464783016 /nfs/dbraw/zinc/78/30/16/464783016.db2.gz SMMIJBWTUSNZPG-SFTDATJTSA-N 2 2 339.483 2.439 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000248657597 464783018 /nfs/dbraw/zinc/78/30/18/464783018.db2.gz SMMIJBWTUSNZPG-SFTDATJTSA-N 2 2 339.483 2.439 10 0 EEAELP CC1(C2CC2)CC[NH+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)CC1 ZINC000352176484 465493410 /nfs/dbraw/zinc/49/34/10/465493410.db2.gz PJIDEGUIJTXRDD-UHFFFAOYSA-N 2 2 345.487 2.436 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCCOC2)CC1 ZINC000352195791 465503097 /nfs/dbraw/zinc/50/30/97/465503097.db2.gz UICAYJWKIYUCFX-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC000352195791 465503102 /nfs/dbraw/zinc/50/31/02/465503102.db2.gz UICAYJWKIYUCFX-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000366345251 465667447 /nfs/dbraw/zinc/66/74/47/465667447.db2.gz JRUKMAYFFMOASJ-AEFFLSMTSA-N 2 2 340.427 2.335 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000366345251 465667453 /nfs/dbraw/zinc/66/74/53/465667453.db2.gz JRUKMAYFFMOASJ-AEFFLSMTSA-N 2 2 340.427 2.335 10 0 EEAELP O=S1(=O)CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000346205819 465991023 /nfs/dbraw/zinc/99/10/23/465991023.db2.gz VSWSWGSGTSURSO-QBUWPKIASA-N 2 2 348.512 2.206 10 0 EEAELP O=S1(=O)CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000346205819 465991028 /nfs/dbraw/zinc/99/10/28/465991028.db2.gz VSWSWGSGTSURSO-QBUWPKIASA-N 2 2 348.512 2.206 10 0 EEAELP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000367428241 466331283 /nfs/dbraw/zinc/33/12/83/466331283.db2.gz GPYXFQDOEWGLNX-IBGZPJMESA-N 2 2 330.476 2.067 10 0 EEAELP O=C(C[N@@H+]1CCc2cc(Cl)ccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000361850185 466349253 /nfs/dbraw/zinc/34/92/53/466349253.db2.gz ISAXAKZEVNMHMY-UHFFFAOYSA-N 2 2 347.890 2.441 10 0 EEAELP O=C(C[N@H+]1CCc2cc(Cl)ccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000361850185 466349255 /nfs/dbraw/zinc/34/92/55/466349255.db2.gz ISAXAKZEVNMHMY-UHFFFAOYSA-N 2 2 347.890 2.441 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001936 466379822 /nfs/dbraw/zinc/37/98/22/466379822.db2.gz FWDNUQOIPGALGJ-QUCCMNQESA-N 3 2 330.520 2.129 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001936 466379824 /nfs/dbraw/zinc/37/98/24/466379824.db2.gz FWDNUQOIPGALGJ-QUCCMNQESA-N 3 2 330.520 2.129 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2OC)C1 ZINC000350242835 466436159 /nfs/dbraw/zinc/43/61/59/466436159.db2.gz ATLUFAVEVJENJB-MRXNPFEDSA-N 2 2 349.475 2.066 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2OC)C1 ZINC000350242835 466436167 /nfs/dbraw/zinc/43/61/67/466436167.db2.gz ATLUFAVEVJENJB-MRXNPFEDSA-N 2 2 349.475 2.066 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCOC3CCCCCC3)CC2)cc[nH+]1 ZINC000354397618 466537888 /nfs/dbraw/zinc/53/78/88/466537888.db2.gz DUFATNPAPDWKIT-UHFFFAOYSA-N 2 2 347.507 2.404 10 0 EEAELP C[N@@H+]1CCC[C@H]1CN1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408523974 466678555 /nfs/dbraw/zinc/67/85/55/466678555.db2.gz WRSIZNJKQXJOQU-IRXDYDNUSA-N 2 2 330.476 2.229 10 0 EEAELP C[N@H+]1CCC[C@H]1CN1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1 ZINC000408523974 466678558 /nfs/dbraw/zinc/67/85/58/466678558.db2.gz WRSIZNJKQXJOQU-IRXDYDNUSA-N 2 2 330.476 2.229 10 0 EEAELP Brc1ccccc1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422829991 466683247 /nfs/dbraw/zinc/68/32/47/466683247.db2.gz QJIOIRGDWSMTOC-CVEARBPZSA-N 2 2 339.277 2.348 10 0 EEAELP C[C@@H]([NH2+]CC[NH2+]C1CCCCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000423272345 466707940 /nfs/dbraw/zinc/70/79/40/466707940.db2.gz HWDZEOHEFBDAPZ-CQSZACIVSA-N 2 2 339.505 2.297 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424165054 466994838 /nfs/dbraw/zinc/99/48/38/466994838.db2.gz DEMUPXUXMWEJOX-KAOXEZKKSA-N 2 2 325.815 2.078 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424165054 466994843 /nfs/dbraw/zinc/99/48/43/466994843.db2.gz DEMUPXUXMWEJOX-KAOXEZKKSA-N 2 2 325.815 2.078 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@]2(F)c2ccccc2)CC1 ZINC000412156327 467027479 /nfs/dbraw/zinc/02/74/79/467027479.db2.gz FLJHRVMXONJZKH-MJGOQNOKSA-N 2 2 333.451 2.014 10 0 EEAELP CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428224187 467214259 /nfs/dbraw/zinc/21/42/59/467214259.db2.gz CLDCMBUTDOZZGZ-DLBZAZTESA-N 2 2 330.476 2.097 10 0 EEAELP CC(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428224187 467214264 /nfs/dbraw/zinc/21/42/64/467214264.db2.gz CLDCMBUTDOZZGZ-DLBZAZTESA-N 2 2 330.476 2.097 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351613 467374447 /nfs/dbraw/zinc/37/44/47/467374447.db2.gz AAGHIQWQVMZXPJ-KBXCAEBGSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420351613 467374453 /nfs/dbraw/zinc/37/44/53/467374453.db2.gz AAGHIQWQVMZXPJ-KBXCAEBGSA-N 2 2 335.879 2.420 10 0 EEAELP COCCOc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1OC ZINC000414123219 467380325 /nfs/dbraw/zinc/38/03/25/467380325.db2.gz JHLMMRPDRIZFBY-AWEZNQCLSA-N 2 2 333.432 2.347 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372497 467382296 /nfs/dbraw/zinc/38/22/96/467382296.db2.gz MKVKKFNWTFGTFI-PXNSSMCTSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420372497 467382299 /nfs/dbraw/zinc/38/22/99/467382299.db2.gz MKVKKFNWTFGTFI-PXNSSMCTSA-N 2 2 329.488 2.118 10 0 EEAELP CC1=C[C@H](C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430264167 467414054 /nfs/dbraw/zinc/41/40/54/467414054.db2.gz QVWJSKZXYUCNEH-KRWDZBQOSA-N 2 2 327.472 2.229 10 0 EEAELP CC1=C[C@H](C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430264167 467414058 /nfs/dbraw/zinc/41/40/58/467414058.db2.gz QVWJSKZXYUCNEH-KRWDZBQOSA-N 2 2 327.472 2.229 10 0 EEAELP C[N@H+](CCCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000454326219 467584926 /nfs/dbraw/zinc/58/49/26/467584926.db2.gz FTHCXUWVNMMWFJ-UHFFFAOYSA-N 2 2 345.491 2.224 10 0 EEAELP C[N@@H+](CCCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000454326219 467584928 /nfs/dbraw/zinc/58/49/28/467584928.db2.gz FTHCXUWVNMMWFJ-UHFFFAOYSA-N 2 2 345.491 2.224 10 0 EEAELP CC[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000494910376 468080616 /nfs/dbraw/zinc/08/06/16/468080616.db2.gz PIOZKSYBEMHRSM-MSOLQXFVSA-N 2 2 329.488 2.470 10 0 EEAELP CC[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000494910376 468080618 /nfs/dbraw/zinc/08/06/18/468080618.db2.gz PIOZKSYBEMHRSM-MSOLQXFVSA-N 2 2 329.488 2.470 10 0 EEAELP CC[C@H]1C[N@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000519020384 468137221 /nfs/dbraw/zinc/13/72/21/468137221.db2.gz FFKJXZDQGGIXRG-LBPRGKRZSA-N 2 2 349.385 2.371 10 0 EEAELP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000519020384 468137226 /nfs/dbraw/zinc/13/72/26/468137226.db2.gz FFKJXZDQGGIXRG-LBPRGKRZSA-N 2 2 349.385 2.371 10 0 EEAELP CCN1CC[NH+](C[C@@H](C)CNc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000578317935 468201513 /nfs/dbraw/zinc/20/15/13/468201513.db2.gz FRKZMVMPYVMOKA-HNNXBMFYSA-N 2 2 330.451 3.059 10 0 EEAELP CC[NH+]1CCN(C[C@@H](C)CNc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000578317935 468201516 /nfs/dbraw/zinc/20/15/16/468201516.db2.gz FRKZMVMPYVMOKA-HNNXBMFYSA-N 2 2 330.451 3.059 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC000533544112 468210435 /nfs/dbraw/zinc/21/04/35/468210435.db2.gz XOMFOLFEXDCQNY-MSOLQXFVSA-N 2 2 326.444 2.452 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC000533544112 468210436 /nfs/dbraw/zinc/21/04/36/468210436.db2.gz XOMFOLFEXDCQNY-MSOLQXFVSA-N 2 2 326.444 2.452 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000583331771 468681412 /nfs/dbraw/zinc/68/14/12/468681412.db2.gz NMLOEHVQJYTILZ-OAHLLOKOSA-N 2 2 330.476 2.267 10 0 EEAELP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000594914079 468721521 /nfs/dbraw/zinc/72/15/21/468721521.db2.gz CGBODMYQTRAWOX-SOUVJXGZSA-N 2 2 326.506 2.135 10 0 EEAELP CN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601230066 468790973 /nfs/dbraw/zinc/79/09/73/468790973.db2.gz PRSWJDSDPFRLKX-OAHLLOKOSA-N 2 2 347.850 2.366 10 0 EEAELP CN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000601230066 468790976 /nfs/dbraw/zinc/79/09/76/468790976.db2.gz PRSWJDSDPFRLKX-OAHLLOKOSA-N 2 2 347.850 2.366 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000599307793 469205114 /nfs/dbraw/zinc/20/51/14/469205114.db2.gz ZNCWDLIJABFTEI-WDSOQIARSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000599307793 469205120 /nfs/dbraw/zinc/20/51/20/469205120.db2.gz ZNCWDLIJABFTEI-WDSOQIARSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000599307793 469205122 /nfs/dbraw/zinc/20/51/22/469205122.db2.gz ZNCWDLIJABFTEI-WDSOQIARSA-N 2 2 348.487 2.285 10 0 EEAELP CCOC(=O)C[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000599307793 469205127 /nfs/dbraw/zinc/20/51/27/469205127.db2.gz ZNCWDLIJABFTEI-WDSOQIARSA-N 2 2 348.487 2.285 10 0 EEAELP Cc1cccn2c(NC(=O)[C@@H]([NH2+]C3CCOCC3)C(C)C)c[nH+]c12 ZINC000622174462 469394640 /nfs/dbraw/zinc/39/46/40/469394640.db2.gz DOVKTRHOXSVJJI-INIZCTEOSA-N 2 2 330.432 2.374 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[NH+](CCCF)CC2)[nH+]1 ZINC000626069910 469491360 /nfs/dbraw/zinc/49/13/60/469491360.db2.gz QGEMTGYFELNAPQ-UHFFFAOYSA-N 2 2 338.471 2.032 10 0 EEAELP C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C[NH2+]1 ZINC000629397430 469531149 /nfs/dbraw/zinc/53/11/49/469531149.db2.gz VEISCXKBUDTRGS-PWSUYJOCSA-N 2 2 341.249 2.450 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(OC)c1 ZINC000629536661 469574360 /nfs/dbraw/zinc/57/43/60/469574360.db2.gz IHWKQTXTYXSRKL-IHRRRGAJSA-N 2 2 335.448 2.151 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000629540133 469574885 /nfs/dbraw/zinc/57/48/85/469574885.db2.gz QZLRSKMIBRKXBK-YCPHGPKFSA-N 2 2 337.489 2.018 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OC1CC1 ZINC000623535659 469686310 /nfs/dbraw/zinc/68/63/10/469686310.db2.gz AYHKOSWFZRROMP-INIZCTEOSA-N 2 2 334.460 2.173 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OC1CC1 ZINC000623535659 469686316 /nfs/dbraw/zinc/68/63/16/469686316.db2.gz AYHKOSWFZRROMP-INIZCTEOSA-N 2 2 334.460 2.173 10 0 EEAELP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000627004522 469786837 /nfs/dbraw/zinc/78/68/37/469786837.db2.gz LULNZCWVHQGPGN-GJZGRUSLSA-N 2 2 342.846 2.215 10 0 EEAELP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000627004522 469786841 /nfs/dbraw/zinc/78/68/41/469786841.db2.gz LULNZCWVHQGPGN-GJZGRUSLSA-N 2 2 342.846 2.215 10 0 EEAELP Cc1sc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)nc1C(C)C ZINC000617764357 469796201 /nfs/dbraw/zinc/79/62/01/469796201.db2.gz STNSKMOULBXDEW-UHFFFAOYSA-N 2 2 340.537 2.117 10 0 EEAELP Cc1sc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)nc1C(C)C ZINC000617764357 469796205 /nfs/dbraw/zinc/79/62/05/469796205.db2.gz STNSKMOULBXDEW-UHFFFAOYSA-N 2 2 340.537 2.117 10 0 EEAELP C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768526 469798998 /nfs/dbraw/zinc/79/89/98/469798998.db2.gz HSXZVAVDHFUXRE-CQSZACIVSA-N 2 2 341.883 2.107 10 0 EEAELP C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768526 469799005 /nfs/dbraw/zinc/79/90/05/469799005.db2.gz HSXZVAVDHFUXRE-CQSZACIVSA-N 2 2 341.883 2.107 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C[NH2+]1 ZINC000627207634 469844617 /nfs/dbraw/zinc/84/46/17/469844617.db2.gz QTVKAZZDLGPJNG-PMPSAXMXSA-N 2 2 345.491 2.249 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)NCC[N@H+](C)C1CC1)c1ccccc1 ZINC000608680538 469859366 /nfs/dbraw/zinc/85/93/66/469859366.db2.gz PEXCMQCFZCRQPA-KRWDZBQOSA-N 2 2 341.459 2.097 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)NCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000608680538 469859367 /nfs/dbraw/zinc/85/93/67/469859367.db2.gz PEXCMQCFZCRQPA-KRWDZBQOSA-N 2 2 341.459 2.097 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000620623969 469877580 /nfs/dbraw/zinc/87/75/80/469877580.db2.gz JZBMLYHKEHSRHB-SFHVURJKSA-N 2 2 347.503 2.124 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000620623969 469877581 /nfs/dbraw/zinc/87/75/81/469877581.db2.gz JZBMLYHKEHSRHB-SFHVURJKSA-N 2 2 347.503 2.124 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000620623969 469877587 /nfs/dbraw/zinc/87/75/87/469877587.db2.gz JZBMLYHKEHSRHB-SFHVURJKSA-N 2 2 347.503 2.124 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000620623969 469877591 /nfs/dbraw/zinc/87/75/91/469877591.db2.gz JZBMLYHKEHSRHB-SFHVURJKSA-N 2 2 347.503 2.124 10 0 EEAELP Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631170134 470084929 /nfs/dbraw/zinc/08/49/29/470084929.db2.gz XNEBDSFIRYJRHD-SJORKVTESA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000631170134 470084931 /nfs/dbraw/zinc/08/49/31/470084931.db2.gz XNEBDSFIRYJRHD-SJORKVTESA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N)nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000631170134 470084933 /nfs/dbraw/zinc/08/49/33/470084933.db2.gz XNEBDSFIRYJRHD-SJORKVTESA-N 2 2 338.459 2.253 10 0 EEAELP Cc1nc(N)nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)[nH+]1 ZINC000631170134 470084935 /nfs/dbraw/zinc/08/49/35/470084935.db2.gz XNEBDSFIRYJRHD-SJORKVTESA-N 2 2 338.459 2.253 10 0 EEAELP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631463794 470146741 /nfs/dbraw/zinc/14/67/41/470146741.db2.gz CRZCBJMERVTYJZ-QAPCUYQASA-N 2 2 326.444 2.213 10 0 EEAELP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631463794 470146743 /nfs/dbraw/zinc/14/67/43/470146743.db2.gz CRZCBJMERVTYJZ-QAPCUYQASA-N 2 2 326.444 2.213 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887320 470189434 /nfs/dbraw/zinc/18/94/34/470189434.db2.gz MXMOSQOZSDIGDH-XYJFISCASA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887320 470189435 /nfs/dbraw/zinc/18/94/35/470189435.db2.gz MXMOSQOZSDIGDH-XYJFISCASA-N 2 2 345.487 2.289 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000634648902 470274637 /nfs/dbraw/zinc/27/46/37/470274637.db2.gz BJCDWJRHWNWILR-NRFANRHFSA-N 2 2 344.499 2.372 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000634648902 470274638 /nfs/dbraw/zinc/27/46/38/470274638.db2.gz BJCDWJRHWNWILR-NRFANRHFSA-N 2 2 344.499 2.372 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636305598 470289560 /nfs/dbraw/zinc/28/95/60/470289560.db2.gz XMAWNEPNZNVODG-DZOHQFGASA-N 2 2 338.455 2.398 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636305598 470289563 /nfs/dbraw/zinc/28/95/63/470289563.db2.gz XMAWNEPNZNVODG-DZOHQFGASA-N 2 2 338.455 2.398 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636305598 470289567 /nfs/dbraw/zinc/28/95/67/470289567.db2.gz XMAWNEPNZNVODG-DZOHQFGASA-N 2 2 338.455 2.398 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636305598 470289571 /nfs/dbraw/zinc/28/95/71/470289571.db2.gz XMAWNEPNZNVODG-DZOHQFGASA-N 2 2 338.455 2.398 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000648778332 470344429 /nfs/dbraw/zinc/34/44/29/470344429.db2.gz UXMAEIFRQLAXFO-SJORKVTESA-N 2 2 348.491 2.110 10 0 EEAELP OCC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(OC(F)(F)F)c1 ZINC000646017226 470495033 /nfs/dbraw/zinc/49/50/33/470495033.db2.gz IUKWUXDDRIFZFL-AWEZNQCLSA-N 2 2 329.322 2.495 10 0 EEAELP C[C@@H](Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21)[C@@H]1C[N@H+](C)CCO1 ZINC000642208195 470533820 /nfs/dbraw/zinc/53/38/20/470533820.db2.gz GOULXSLVMTXAQH-YGRLFVJLSA-N 2 2 329.379 2.381 10 0 EEAELP C[C@@H](Nc1[nH+]cnc2[nH]c3cc(F)ccc3c21)[C@@H]1C[N@@H+](C)CCO1 ZINC000642208195 470533823 /nfs/dbraw/zinc/53/38/23/470533823.db2.gz GOULXSLVMTXAQH-YGRLFVJLSA-N 2 2 329.379 2.381 10 0 EEAELP O=C(Nc1ccccc1OCCn1cc[nH+]c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635412274 470573744 /nfs/dbraw/zinc/57/37/44/470573744.db2.gz QFCMUVHBZSLEOZ-ZIAGYGMSSA-N 2 2 337.383 2.427 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000649523349 470612919 /nfs/dbraw/zinc/61/29/19/470612919.db2.gz LMDGOUDUXLPMCU-IBGZPJMESA-N 2 2 346.519 2.471 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000649523349 470612924 /nfs/dbraw/zinc/61/29/24/470612924.db2.gz LMDGOUDUXLPMCU-IBGZPJMESA-N 2 2 346.519 2.471 10 0 EEAELP c1ccc2c(c1)O[C@H](CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)CS2 ZINC000647801533 470988173 /nfs/dbraw/zinc/98/81/73/470988173.db2.gz XFZJYWBSBRZWON-QGPMSJSTSA-N 2 2 334.485 2.286 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651113185 471055014 /nfs/dbraw/zinc/05/50/14/471055014.db2.gz FTVWPADJGRNIJY-HOTGVXAUSA-N 2 2 332.492 2.246 10 0 EEAELP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657429901 471134796 /nfs/dbraw/zinc/13/47/96/471134796.db2.gz MMZBKRPQEIRHNR-HXUWFJFHSA-N 2 2 340.471 2.076 10 0 EEAELP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657429901 471134802 /nfs/dbraw/zinc/13/48/02/471134802.db2.gz MMZBKRPQEIRHNR-HXUWFJFHSA-N 2 2 340.471 2.076 10 0 EEAELP CC(C)[C@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000645248265 471191516 /nfs/dbraw/zinc/19/15/16/471191516.db2.gz XBKUQZZOCKQKKG-WOJBJXKFSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000645248265 471191520 /nfs/dbraw/zinc/19/15/20/471191520.db2.gz XBKUQZZOCKQKKG-WOJBJXKFSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000645248265 471191524 /nfs/dbraw/zinc/19/15/24/471191524.db2.gz XBKUQZZOCKQKKG-WOJBJXKFSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000645248265 471191529 /nfs/dbraw/zinc/19/15/29/471191529.db2.gz XBKUQZZOCKQKKG-WOJBJXKFSA-N 2 2 334.504 2.210 10 0 EEAELP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000658114268 471267054 /nfs/dbraw/zinc/26/70/54/471267054.db2.gz JIFRXAFZYGGKDQ-KBAYOESNSA-N 2 2 333.476 2.206 10 0 EEAELP CC[NH+]1CCC([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000658248433 471279910 /nfs/dbraw/zinc/27/99/10/471279910.db2.gz BAYYTDMXIJEVNQ-UHFFFAOYSA-N 2 2 342.531 2.415 10 0 EEAELP CC[NH+]1CCC(NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000658248433 471279913 /nfs/dbraw/zinc/27/99/13/471279913.db2.gz BAYYTDMXIJEVNQ-UHFFFAOYSA-N 2 2 342.531 2.415 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341883 471290176 /nfs/dbraw/zinc/29/01/76/471290176.db2.gz KHVIXTCWJORMJP-NQIIRXRSSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341883 471290179 /nfs/dbraw/zinc/29/01/79/471290179.db2.gz KHVIXTCWJORMJP-NQIIRXRSSA-N 3 2 344.547 2.123 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655475508 471341542 /nfs/dbraw/zinc/34/15/42/471341542.db2.gz DWHPCAQMCBWFCV-QFBILLFUSA-N 2 2 347.890 2.204 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655475508 471341554 /nfs/dbraw/zinc/34/15/54/471341554.db2.gz DWHPCAQMCBWFCV-QFBILLFUSA-N 2 2 347.890 2.204 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655475722 471343145 /nfs/dbraw/zinc/34/31/45/471343145.db2.gz DWHPCAQMCBWFCV-VQIMIIECSA-N 2 2 347.890 2.204 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655475722 471343150 /nfs/dbraw/zinc/34/31/50/471343150.db2.gz DWHPCAQMCBWFCV-VQIMIIECSA-N 2 2 347.890 2.204 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[NH+](C(C)(C)CO)CC3)c2cc1OC ZINC000663611993 471447345 /nfs/dbraw/zinc/44/73/45/471447345.db2.gz OUGCPSZHXMVLPO-UHFFFAOYSA-N 2 2 345.443 2.145 10 0 EEAELP Cc1c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cccc1N(C)C ZINC000666572684 471452076 /nfs/dbraw/zinc/45/20/76/471452076.db2.gz XEAALNMZRKHUDR-UHFFFAOYSA-N 2 2 335.496 2.066 10 0 EEAELP Cc1c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cccc1N(C)C ZINC000666572684 471452079 /nfs/dbraw/zinc/45/20/79/471452079.db2.gz XEAALNMZRKHUDR-UHFFFAOYSA-N 2 2 335.496 2.066 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)s1 ZINC000653116934 471496844 /nfs/dbraw/zinc/49/68/44/471496844.db2.gz YXRWDCONSYZYBI-QZTJIDSGSA-N 2 2 347.528 2.485 10 0 EEAELP COc1ccc2c(c1NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC2 ZINC000666870167 471569945 /nfs/dbraw/zinc/56/99/45/471569945.db2.gz WOQRWSIIRMOQNP-UHFFFAOYSA-N 2 2 348.491 2.189 10 0 EEAELP COc1ccc2c(c1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC2 ZINC000666870167 471569951 /nfs/dbraw/zinc/56/99/51/471569951.db2.gz WOQRWSIIRMOQNP-UHFFFAOYSA-N 2 2 348.491 2.189 10 0 EEAELP Cc1ccc(CNC(=O)N[C@H](C)c2[nH+]ccn2C)c(N2CCCC2)[nH+]1 ZINC000661007735 471585288 /nfs/dbraw/zinc/58/52/88/471585288.db2.gz BXTVBXNLZRLREL-CQSZACIVSA-N 2 2 342.447 2.284 10 0 EEAELP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](CO)Cc1ccccc1 ZINC000661094682 471622984 /nfs/dbraw/zinc/62/29/84/471622984.db2.gz GZWZBXGTWQZJOR-RTWAWAEBSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](CO)Cc1ccccc1 ZINC000661094682 471622988 /nfs/dbraw/zinc/62/29/88/471622988.db2.gz GZWZBXGTWQZJOR-RTWAWAEBSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661094682 471622992 /nfs/dbraw/zinc/62/29/92/471622992.db2.gz GZWZBXGTWQZJOR-RTWAWAEBSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661094682 471622994 /nfs/dbraw/zinc/62/29/94/471622994.db2.gz GZWZBXGTWQZJOR-RTWAWAEBSA-N 2 2 342.483 2.015 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000670077050 471670825 /nfs/dbraw/zinc/67/08/25/471670825.db2.gz DQJFUKZCUSNKAT-UHFFFAOYSA-N 2 2 347.488 2.227 10 0 EEAELP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000667250084 471709539 /nfs/dbraw/zinc/70/95/39/471709539.db2.gz HHDNBRRYQFNSDQ-BBRMVZONSA-N 2 2 345.447 2.092 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(F)c(Cl)c1 ZINC000664331425 471721517 /nfs/dbraw/zinc/72/15/17/471721517.db2.gz QQHFQEGVVARUDT-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(F)c(Cl)c1 ZINC000664331425 471721523 /nfs/dbraw/zinc/72/15/23/471721523.db2.gz QQHFQEGVVARUDT-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000653777695 471737646 /nfs/dbraw/zinc/73/76/46/471737646.db2.gz SLFQCNOZNXONOC-INIZCTEOSA-N 2 2 326.868 2.248 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CCC1 ZINC000653777695 471737649 /nfs/dbraw/zinc/73/76/49/471737649.db2.gz SLFQCNOZNXONOC-INIZCTEOSA-N 2 2 326.868 2.248 10 0 EEAELP Cc1cc(NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)nc(C)[nH+]1 ZINC000664628426 471814646 /nfs/dbraw/zinc/81/46/46/471814646.db2.gz ZMGVCRBGQRUXMA-GOSISDBHSA-N 2 2 325.460 2.322 10 0 EEAELP Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)nc(C)[nH+]1 ZINC000664628426 471814651 /nfs/dbraw/zinc/81/46/51/471814651.db2.gz ZMGVCRBGQRUXMA-GOSISDBHSA-N 2 2 325.460 2.322 10 0 EEAELP Cc1cc(NC[C@@H]2CN(C)CC[N@@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000664628426 471814655 /nfs/dbraw/zinc/81/46/55/471814655.db2.gz ZMGVCRBGQRUXMA-GOSISDBHSA-N 2 2 325.460 2.322 10 0 EEAELP Cc1cc(NC[C@@H]2CN(C)CC[N@H+]2Cc2ccccc2)nc(C)[nH+]1 ZINC000664628426 471814660 /nfs/dbraw/zinc/81/46/60/471814660.db2.gz ZMGVCRBGQRUXMA-GOSISDBHSA-N 2 2 325.460 2.322 10 0 EEAELP C[NH+](C)C1CCN(c2ccc(NCc3cc4n(n3)CCC4)[nH+]c2)CC1 ZINC000656770791 471837031 /nfs/dbraw/zinc/83/70/31/471837031.db2.gz REYVXKNREVNDMB-UHFFFAOYSA-N 2 2 340.475 2.367 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000654402990 471944974 /nfs/dbraw/zinc/94/49/74/471944974.db2.gz AGEYUCHGZQTJDJ-GASCZTMLSA-N 2 2 345.422 2.151 10 0 EEAELP Cn1nc(CCC[N@H+](C)C[C@H]2C[NH2+]CCO2)cc1-c1ccc(F)cc1 ZINC000662253895 472043897 /nfs/dbraw/zinc/04/38/97/472043897.db2.gz XLSWFRKANJWZKK-GOSISDBHSA-N 2 2 346.450 2.079 10 0 EEAELP Cn1nc(CCC[N@@H+](C)C[C@H]2C[NH2+]CCO2)cc1-c1ccc(F)cc1 ZINC000662253895 472043899 /nfs/dbraw/zinc/04/38/99/472043899.db2.gz XLSWFRKANJWZKK-GOSISDBHSA-N 2 2 346.450 2.079 10 0 EEAELP CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000662266167 472050410 /nfs/dbraw/zinc/05/04/10/472050410.db2.gz YRSWSEHXXYUFKQ-SFHVURJKSA-N 3 2 344.503 2.141 10 0 EEAELP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000662266167 472050415 /nfs/dbraw/zinc/05/04/15/472050415.db2.gz YRSWSEHXXYUFKQ-SFHVURJKSA-N 3 2 344.503 2.141 10 0 EEAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320641 472070045 /nfs/dbraw/zinc/07/00/45/472070045.db2.gz VSBRAXDNNUXLSZ-BRSBDYLESA-N 2 2 339.524 2.207 10 0 EEAELP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320641 472070050 /nfs/dbraw/zinc/07/00/50/472070050.db2.gz VSBRAXDNNUXLSZ-BRSBDYLESA-N 2 2 339.524 2.207 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662387754 472094253 /nfs/dbraw/zinc/09/42/53/472094253.db2.gz MCMIOEODMXPJRS-UHFFFAOYSA-N 2 2 342.468 2.188 10 0 EEAELP CN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000668588488 472186457 /nfs/dbraw/zinc/18/64/57/472186457.db2.gz ILUVCWUDMHYNDZ-ZWKOTPCHSA-N 2 2 338.455 2.484 10 0 EEAELP C[C@H](Cc1ccco1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617204 472196595 /nfs/dbraw/zinc/19/65/95/472196595.db2.gz ISYAMGZNRSFEGY-NVXWUHKLSA-N 2 2 333.476 2.085 10 0 EEAELP C[C@H](Cc1ccco1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617204 472196602 /nfs/dbraw/zinc/19/66/02/472196602.db2.gz ISYAMGZNRSFEGY-NVXWUHKLSA-N 2 2 333.476 2.085 10 0 EEAELP Cc1nc(N2CCC[C@@]3(CC[NH2+]C3)C2)c(Br)c(C)[nH+]1 ZINC000663240185 472419082 /nfs/dbraw/zinc/41/90/82/472419082.db2.gz ZGUNQXUKIBWWBI-AWEZNQCLSA-N 2 2 325.254 2.436 10 0 EEAELP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678769486 485496923 /nfs/dbraw/zinc/49/69/23/485496923.db2.gz FRHVPMPONUIELT-ZBFHGGJFSA-N 2 2 335.473 2.117 10 0 EEAELP Cc1cccn2cc(CCNC(=O)N(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000673778908 485528916 /nfs/dbraw/zinc/52/89/16/485528916.db2.gz GNYZGGOVEVZNIT-RDJZCZTQSA-N 2 2 343.475 2.309 10 0 EEAELP Cc1cccn2cc(CCNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[nH+]c12 ZINC000673778908 485528924 /nfs/dbraw/zinc/52/89/24/485528924.db2.gz GNYZGGOVEVZNIT-RDJZCZTQSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000651363028 485538717 /nfs/dbraw/zinc/53/87/17/485538717.db2.gz MEOQHYBZEVDDSC-JKSUJKDBSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)nc[nH+]1 ZINC000651363028 485538722 /nfs/dbraw/zinc/53/87/22/485538722.db2.gz MEOQHYBZEVDDSC-JKSUJKDBSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000651363028 485538723 /nfs/dbraw/zinc/53/87/23/485538723.db2.gz MEOQHYBZEVDDSC-JKSUJKDBSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@H](C)O)C2)[nH+]cn1 ZINC000651363028 485538727 /nfs/dbraw/zinc/53/87/27/485538727.db2.gz MEOQHYBZEVDDSC-JKSUJKDBSA-N 2 2 335.496 2.074 10 0 EEAELP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543850 485730457 /nfs/dbraw/zinc/73/04/57/485730457.db2.gz DQTKFQMKRFFIEK-IIYDPXPESA-N 2 2 344.459 2.092 10 0 EEAELP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000679994248 485864879 /nfs/dbraw/zinc/86/48/79/485864879.db2.gz PTOPMWRHOUNMEN-QZTJIDSGSA-N 2 2 338.455 2.497 10 0 EEAELP O=C(N[C@@H]1CCc2c[nH+]cn2C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000672153515 486055848 /nfs/dbraw/zinc/05/58/48/486055848.db2.gz YZMXREURAZQKEB-GOSISDBHSA-N 2 2 338.455 2.226 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000681697004 486309242 /nfs/dbraw/zinc/30/92/42/486309242.db2.gz IBPKMJAKSKLGEJ-VQTJNVASSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000681697004 486309247 /nfs/dbraw/zinc/30/92/47/486309247.db2.gz IBPKMJAKSKLGEJ-VQTJNVASSA-N 2 2 332.488 2.370 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000681697004 486309253 /nfs/dbraw/zinc/30/92/53/486309253.db2.gz IBPKMJAKSKLGEJ-VQTJNVASSA-N 2 2 332.488 2.370 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000681697004 486309257 /nfs/dbraw/zinc/30/92/57/486309257.db2.gz IBPKMJAKSKLGEJ-VQTJNVASSA-N 2 2 332.488 2.370 10 0 EEAELP Cc1sccc1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682500572 486486623 /nfs/dbraw/zinc/48/66/23/486486623.db2.gz ULSYXQGOURRMFV-QGZVFWFLSA-N 2 2 335.517 2.226 10 0 EEAELP Cc1sccc1CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682500572 486486628 /nfs/dbraw/zinc/48/66/28/486486628.db2.gz ULSYXQGOURRMFV-QGZVFWFLSA-N 2 2 335.517 2.226 10 0 EEAELP Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682806893 486558915 /nfs/dbraw/zinc/55/89/15/486558915.db2.gz FEUUNGJWCISFFS-HNNXBMFYSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682806893 486558918 /nfs/dbraw/zinc/55/89/18/486558918.db2.gz FEUUNGJWCISFFS-HNNXBMFYSA-N 2 2 348.491 2.080 10 0 EEAELP CCOC(=O)c1csc(C2CC[NH+](CCn3cc[nH+]c3)CC2)n1 ZINC000191574222 528333404 /nfs/dbraw/zinc/33/34/04/528333404.db2.gz GPHHZWXFSWIJCO-UHFFFAOYSA-N 2 2 334.445 2.396 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415940126 528730195 /nfs/dbraw/zinc/73/01/95/528730195.db2.gz SBPHHBKPRLTFBT-UHFFFAOYSA-N 2 2 331.420 2.198 10 0 EEAELP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000494921107 534971278 /nfs/dbraw/zinc/97/12/78/534971278.db2.gz HXXXGAWAYZBVSH-QGZVFWFLSA-N 2 2 333.451 2.437 10 0 EEAELP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447940666 535125369 /nfs/dbraw/zinc/12/53/69/535125369.db2.gz ISBSFCPVMHULIK-LJQANCHMSA-N 2 2 328.460 2.319 10 0 EEAELP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447940666 535125372 /nfs/dbraw/zinc/12/53/72/535125372.db2.gz ISBSFCPVMHULIK-LJQANCHMSA-N 2 2 328.460 2.319 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000446713926 535637891 /nfs/dbraw/zinc/63/78/91/535637891.db2.gz BYIAZQLAEVVCSY-PXNSSMCTSA-N 2 2 329.488 2.203 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000446713926 535637894 /nfs/dbraw/zinc/63/78/94/535637894.db2.gz BYIAZQLAEVVCSY-PXNSSMCTSA-N 2 2 329.488 2.203 10 0 EEAELP COc1ccc(C[C@H](C)C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000423021123 536521957 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2.362 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954817 1187882081 /nfs/dbraw/zinc/88/20/81/1187882081.db2.gz PWXMSNYTJVCYGT-DLBZAZTESA-N 2 2 348.491 2.246 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001482954817 1187882088 /nfs/dbraw/zinc/88/20/88/1187882088.db2.gz PWXMSNYTJVCYGT-DLBZAZTESA-N 2 2 348.491 2.246 10 0 EEAELP CCN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482960691 1187893099 /nfs/dbraw/zinc/89/30/99/1187893099.db2.gz UXWQPDHTZYSPQU-UHFFFAOYSA-N 2 2 325.416 2.072 10 0 EEAELP O=C(NCC=CC[NH2+]Cc1ccns1)c1cc2c[nH+]ccc2[nH]1 ZINC001483021562 1188010865 /nfs/dbraw/zinc/01/08/65/1188010865.db2.gz DZNIXTJQTFVRGP-OWOJBTEDSA-N 2 2 327.413 2.095 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001272872873 1193586759 /nfs/dbraw/zinc/58/67/59/1193586759.db2.gz DNIJMLDYNLEXOV-WBVHZDCISA-N 2 2 326.444 2.130 10 0 EEAELP O=C(CC[NH+]1CCCCC1)NC[C@@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001272910068 1193600635 /nfs/dbraw/zinc/60/06/35/1193600635.db2.gz WJEGMZXHYSBVEY-LJQANCHMSA-N 2 2 349.519 2.180 10 0 EEAELP O=C(CC[NH+]1CCCCC1)NC[C@@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001272910068 1193600637 /nfs/dbraw/zinc/60/06/37/1193600637.db2.gz WJEGMZXHYSBVEY-LJQANCHMSA-N 2 2 349.519 2.180 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCc1[nH+]ccn1C ZINC001272926898 1193609455 /nfs/dbraw/zinc/60/94/55/1193609455.db2.gz NNEMNOALXVFHEN-CYBMUJFWSA-N 2 2 349.866 2.086 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691660087 1193610050 /nfs/dbraw/zinc/61/00/50/1193610050.db2.gz XTCWTMVYVJBNMD-DLBZAZTESA-N 2 2 332.492 2.417 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC001409355416 1189565846 /nfs/dbraw/zinc/56/58/46/1189565846.db2.gz FQVSHMJSIAGEEM-GHMZBOCLSA-N 2 2 338.814 2.428 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccns1 ZINC001409565945 1190042116 /nfs/dbraw/zinc/04/21/16/1190042116.db2.gz FEZIGVDQZGUAKT-ZIAGYGMSSA-N 2 2 349.504 2.490 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC001409565945 1190042122 /nfs/dbraw/zinc/04/21/22/1190042122.db2.gz FEZIGVDQZGUAKT-ZIAGYGMSSA-N 2 2 349.504 2.490 10 0 EEAELP C[C@H](c1c(F)cccc1F)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001409632852 1190133058 /nfs/dbraw/zinc/13/30/58/1190133058.db2.gz RPFZBLGXSQEGQG-QWHCGFSZSA-N 2 2 327.419 2.414 10 0 EEAELP C[C@H](c1c(F)cccc1F)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001409632852 1190133061 /nfs/dbraw/zinc/13/30/61/1190133061.db2.gz RPFZBLGXSQEGQG-QWHCGFSZSA-N 2 2 327.419 2.414 10 0 EEAELP C[C@@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001483371899 1190415749 /nfs/dbraw/zinc/41/57/49/1190415749.db2.gz XPXZTXHRTSADDN-MAUKXSAKSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@@H](C[N@@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001483371899 1190415753 /nfs/dbraw/zinc/41/57/53/1190415753.db2.gz XPXZTXHRTSADDN-MAUKXSAKSA-N 2 2 326.444 2.397 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)on1 ZINC001483473478 1190495059 /nfs/dbraw/zinc/49/50/59/1190495059.db2.gz GTFNWZRWMSVEJD-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001483569539 1190558689 /nfs/dbraw/zinc/55/86/89/1190558689.db2.gz AJDGPXIHVJRSBV-WTNGUMASSA-N 2 2 330.476 2.286 10 0 EEAELP COCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001483832146 1191068652 /nfs/dbraw/zinc/06/86/52/1191068652.db2.gz CYMBWAXYLCDMBH-LJQANCHMSA-N 2 2 348.491 2.038 10 0 EEAELP COCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001483832146 1191068655 /nfs/dbraw/zinc/06/86/55/1191068655.db2.gz CYMBWAXYLCDMBH-LJQANCHMSA-N 2 2 348.491 2.038 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@](C)(C[NH2+]CCOC2CCC2)C1)n1cc[nH+]c1 ZINC001484112701 1191213525 /nfs/dbraw/zinc/21/35/25/1191213525.db2.gz BDASOYDMFHRGDZ-QFBILLFUSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484539076 1191405022 /nfs/dbraw/zinc/40/50/22/1191405022.db2.gz IZGLOEXCLYNBHP-CQSZACIVSA-N 2 2 347.488 2.054 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]C[C@H]2CC(C)(C)CO2)CCC1 ZINC001484655221 1191458185 /nfs/dbraw/zinc/45/81/85/1191458185.db2.gz PKRGPTOPXAWCOL-GOEBONIOSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]C[C@H]2CC(C)(C)CO2)CCC1 ZINC001484655221 1191458186 /nfs/dbraw/zinc/45/81/86/1191458186.db2.gz PKRGPTOPXAWCOL-GOEBONIOSA-N 2 2 348.491 2.032 10 0 EEAELP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485063471 1191640646 /nfs/dbraw/zinc/64/06/46/1191640646.db2.gz PAZQJRPYINQSCV-SJLPKXTDSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485063471 1191640648 /nfs/dbraw/zinc/64/06/48/1191640648.db2.gz PAZQJRPYINQSCV-SJLPKXTDSA-N 2 2 332.492 2.414 10 0 EEAELP CCCCC[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001486335764 1193829961 /nfs/dbraw/zinc/82/99/61/1193829961.db2.gz VVGGFGKPAIPRTF-KRWDZBQOSA-N 2 2 346.475 2.198 10 0 EEAELP CCCCC[N@@H+](C)C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001486335764 1193829966 /nfs/dbraw/zinc/82/99/66/1193829966.db2.gz VVGGFGKPAIPRTF-KRWDZBQOSA-N 2 2 346.475 2.198 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001486398445 1193899333 /nfs/dbraw/zinc/89/93/33/1193899333.db2.gz AYSNRVZHHWBDBH-CVEARBPZSA-N 2 2 335.496 2.319 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001486398445 1193899336 /nfs/dbraw/zinc/89/93/36/1193899336.db2.gz AYSNRVZHHWBDBH-CVEARBPZSA-N 2 2 335.496 2.319 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273045154 1194349822 /nfs/dbraw/zinc/34/98/22/1194349822.db2.gz QKLASEIXIKIHKO-CYBMUJFWSA-N 2 2 325.416 2.118 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001691686371 1197496521 /nfs/dbraw/zinc/49/65/21/1197496521.db2.gz XRSVTCVXEQCBQB-DLBZAZTESA-N 2 2 346.500 2.452 10 0 EEAELP 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ZINC000865996399 1198448502 /nfs/dbraw/zinc/44/85/02/1198448502.db2.gz IBAWHYZZOGQQNV-INIZCTEOSA-N 2 2 341.459 2.346 10 0 EEAELP CC(C)(O)C[N@H+]1CC[C@H](Nc2cc(NCc3ccccc3)[nH+]cn2)C1 ZINC000865996399 1198448503 /nfs/dbraw/zinc/44/85/03/1198448503.db2.gz IBAWHYZZOGQQNV-INIZCTEOSA-N 2 2 341.459 2.346 10 0 EEAELP CC(C)CN(CC1CC[NH+](C)CC1)c1cc(NC[C@@H](C)O)[nH+]cn1 ZINC000866261200 1201479203 /nfs/dbraw/zinc/47/92/03/1201479203.db2.gz OQUUSKDETYFOHP-OAHLLOKOSA-N 2 2 335.496 2.074 10 0 EEAELP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709007 1201585935 /nfs/dbraw/zinc/58/59/35/1201585935.db2.gz ULEKXQILMAILFO-IBGZPJMESA-N 2 2 347.459 2.109 10 0 EEAELP COC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866709007 1201585940 /nfs/dbraw/zinc/58/59/40/1201585940.db2.gz ULEKXQILMAILFO-IBGZPJMESA-N 2 2 347.459 2.109 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001274120322 1204384811 /nfs/dbraw/zinc/38/48/11/1204384811.db2.gz YVCPMGXYDBKUII-PLNGDYQASA-N 2 2 340.418 2.234 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001274243846 1204972768 /nfs/dbraw/zinc/97/27/68/1204972768.db2.gz COMJFLUSLYYMRN-LPQSXRFUSA-N 2 2 342.418 2.362 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001275002133 1205232051 /nfs/dbraw/zinc/23/20/51/1205232051.db2.gz YSNBWUIDSWEDFU-GFCCVEGCSA-N 2 2 334.851 2.251 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275209567 1205282433 /nfs/dbraw/zinc/28/24/33/1205282433.db2.gz SWRCXCOJUQFUKC-QMMRJVTOSA-N 2 2 338.455 2.253 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)N1CCN(c2ccccc2)CC1 ZINC000925544616 1206125767 /nfs/dbraw/zinc/12/57/67/1206125767.db2.gz BVDUXQJQMLHDCJ-HKUYNNGSSA-N 2 2 328.504 2.071 10 0 EEAELP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(Br)n1 ZINC000925806911 1206155797 /nfs/dbraw/zinc/15/57/97/1206155797.db2.gz SBJKVCPTYXZYQO-ZIAGYGMSSA-N 2 2 341.297 2.441 10 0 EEAELP [NH3+][C@@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[C@@H]1C(F)(F)F ZINC000926105337 1206192888 /nfs/dbraw/zinc/19/28/88/1206192888.db2.gz CCYZSPANTRXILA-WDEREUQCSA-N 2 2 327.310 2.078 10 0 EEAELP CC[C@H](C[NH+]1CCOCC1)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000928651953 1206407740 /nfs/dbraw/zinc/40/77/40/1206407740.db2.gz VMQAPTMRCWCMEU-MRXNPFEDSA-N 2 2 344.459 2.131 10 0 EEAELP O[C@H](CC[C@H](O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccccc1 ZINC000929803276 1206503871 /nfs/dbraw/zinc/50/38/71/1206503871.db2.gz FWIFRQISHZHNFC-RBUKOAKNSA-N 2 2 329.444 2.395 10 0 EEAELP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136540 1206536997 /nfs/dbraw/zinc/53/69/97/1206536997.db2.gz MRYBDZSRDKHXCI-QKPAOTATSA-N 2 2 349.441 2.054 10 0 EEAELP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136540 1206536998 /nfs/dbraw/zinc/53/69/98/1206536998.db2.gz MRYBDZSRDKHXCI-QKPAOTATSA-N 2 2 349.441 2.054 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C)nnc3C)CC2)CC1 ZINC000930751067 1206580055 /nfs/dbraw/zinc/58/00/55/1206580055.db2.gz KZBNVDKSCSWFFG-UHFFFAOYSA-N 2 2 331.508 2.085 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C)nnc3C)CC2)CC1 ZINC000930751067 1206580056 /nfs/dbraw/zinc/58/00/56/1206580056.db2.gz KZBNVDKSCSWFFG-UHFFFAOYSA-N 2 2 331.508 2.085 10 0 EEAELP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691736428 1210596735 /nfs/dbraw/zinc/59/67/35/1210596735.db2.gz SNJACSNUAFVCOY-OMVNSRBRSA-N 2 2 338.883 2.415 10 0 EEAELP CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691736428 1210596738 /nfs/dbraw/zinc/59/67/38/1210596738.db2.gz SNJACSNUAFVCOY-OMVNSRBRSA-N 2 2 338.883 2.415 10 0 EEAELP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900695376 1234670258 /nfs/dbraw/zinc/67/02/58/1234670258.db2.gz QVAZHZZVGCDWIP-OAHLLOKOSA-N 2 2 329.448 2.065 10 0 EEAELP COC[C@@H](CC1CCOCC1)[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903378599 1240346539 /nfs/dbraw/zinc/34/65/39/1240346539.db2.gz QZJNSAFALGGTKH-MOPGFXCFSA-N 2 2 335.492 2.496 10 0 EEAELP COc1cc2c(cc1F)C[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903915983 1242468470 /nfs/dbraw/zinc/46/84/70/1242468470.db2.gz QBSLNIYRUJKQNN-CQSZACIVSA-N 2 2 346.450 2.052 10 0 EEAELP COc1cc2c(cc1F)C[N@@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903915983 1242468478 /nfs/dbraw/zinc/46/84/78/1242468478.db2.gz QBSLNIYRUJKQNN-CQSZACIVSA-N 2 2 346.450 2.052 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001491294119 1258919737 /nfs/dbraw/zinc/91/97/37/1258919737.db2.gz BCCWCMMLLJTCSJ-GDBMZVCRSA-N 2 2 346.500 2.441 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001491294119 1258919744 /nfs/dbraw/zinc/91/97/44/1258919744.db2.gz BCCWCMMLLJTCSJ-GDBMZVCRSA-N 2 2 346.500 2.441 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc2c(c1)COC2 ZINC001490349666 1291172449 /nfs/dbraw/zinc/17/24/49/1291172449.db2.gz GAXINBFHVWZOTO-UHFFFAOYSA-N 2 2 342.443 2.011 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc2c(c1)COC2 ZINC001490349666 1291172450 /nfs/dbraw/zinc/17/24/50/1291172450.db2.gz GAXINBFHVWZOTO-UHFFFAOYSA-N 2 2 342.443 2.011 10 0 EEAELP C[C@@H]([NH2+]CCC(F)(F)F)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001490312341 1291189058 /nfs/dbraw/zinc/18/90/58/1291189058.db2.gz OMBZLHNQEYZSAA-CHWSQXEVSA-N 2 2 332.370 2.195 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001490372387 1291256271 /nfs/dbraw/zinc/25/62/71/1291256271.db2.gz PVICYVVNGWQWAK-KRWDZBQOSA-N 2 2 333.480 2.169 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001490372387 1291256275 /nfs/dbraw/zinc/25/62/75/1291256275.db2.gz PVICYVVNGWQWAK-KRWDZBQOSA-N 2 2 333.480 2.169 10 0 EEAELP CC(C)[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001490372387 1291256278 /nfs/dbraw/zinc/25/62/78/1291256278.db2.gz PVICYVVNGWQWAK-KRWDZBQOSA-N 2 2 333.480 2.169 10 0 EEAELP CC(C)[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001490372387 1291256282 /nfs/dbraw/zinc/25/62/82/1291256282.db2.gz PVICYVVNGWQWAK-KRWDZBQOSA-N 2 2 333.480 2.169 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001490623927 1291534758 /nfs/dbraw/zinc/53/47/58/1291534758.db2.gz WGSWVSFAVSWVKO-SFHVURJKSA-N 2 2 348.491 2.155 10 0 EEAELP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000852123190 1291999979 /nfs/dbraw/zinc/99/99/79/1291999979.db2.gz SCGSEJNNJIERBQ-IBGZPJMESA-N 2 2 334.504 2.409 10 0 EEAELP CON(C)C(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000858580108 1294158924 /nfs/dbraw/zinc/15/89/24/1294158924.db2.gz KVGILUHRZWXUGP-CVEARBPZSA-N 2 2 333.476 2.080 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)N3CCOc4ccccc43)C[C@@]2(C)C1 ZINC000931315087 1297130687 /nfs/dbraw/zinc/13/06/87/1297130687.db2.gz UEOCNESDKVDBCQ-WOJBJXKFSA-N 2 2 343.471 2.076 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306228 1302298065 /nfs/dbraw/zinc/29/80/65/1302298065.db2.gz SEJPRFHTSJTCRB-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001277662858 1304118824 /nfs/dbraw/zinc/11/88/24/1304118824.db2.gz PWLQHWIOAIFYMI-SJORKVTESA-N 2 2 330.476 2.238 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(F)(F)C(F)F)C[C@@H]1C ZINC001277777981 1304395311 /nfs/dbraw/zinc/39/53/11/1304395311.db2.gz YOCXITYEJGFIEX-RYUDHWBXSA-N 2 2 341.393 2.198 10 0 EEAELP COCCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278395410 1310018082 /nfs/dbraw/zinc/01/80/82/1310018082.db2.gz JORZFSIMWJMPKP-IBGZPJMESA-N 2 2 344.459 2.264 10 0 EEAELP COCCCC[N@H+]1CC[C@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278395410 1310018090 /nfs/dbraw/zinc/01/80/90/1310018090.db2.gz JORZFSIMWJMPKP-IBGZPJMESA-N 2 2 344.459 2.264 10 0 EEAELP C[C@]1(C[NH2+]C/C=C/Cl)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001278519724 1317127097 /nfs/dbraw/zinc/12/70/97/1317127097.db2.gz WGROYCIMMYSTPL-IYJYMYCHSA-N 2 2 336.867 2.026 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@@H]([C@@H](C)[NH2+]CCCF)C3)[nH+]c12 ZINC001279029234 1319035004 /nfs/dbraw/zinc/03/50/04/1319035004.db2.gz BIJOWFCHJJJDKB-HZPDHXFCSA-N 2 2 346.450 2.371 10 0 EEAELP C[C@H]1CC[C@H](C[N@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)O1 ZINC001265001164 1322848119 /nfs/dbraw/zinc/84/81/19/1322848119.db2.gz PTPHGYAKNFMFDP-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP C[C@H]1CC[C@H](C[N@@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)O1 ZINC001265001164 1322848126 /nfs/dbraw/zinc/84/81/26/1322848126.db2.gz PTPHGYAKNFMFDP-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001265866262 1323440249 /nfs/dbraw/zinc/44/02/49/1323440249.db2.gz MSPIKUIYNUHBHW-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001265866262 1323440253 /nfs/dbraw/zinc/44/02/53/1323440253.db2.gz MSPIKUIYNUHBHW-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001265866262 1323440258 /nfs/dbraw/zinc/44/02/58/1323440258.db2.gz MSPIKUIYNUHBHW-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001265866262 1323440263 /nfs/dbraw/zinc/44/02/63/1323440263.db2.gz MSPIKUIYNUHBHW-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001265981113 1323540659 /nfs/dbraw/zinc/54/06/59/1323540659.db2.gz IFKMJDKYJWERBZ-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001265981113 1323540665 /nfs/dbraw/zinc/54/06/65/1323540665.db2.gz IFKMJDKYJWERBZ-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2cscn2)C1 ZINC001266116124 1323684375 /nfs/dbraw/zinc/68/43/75/1323684375.db2.gz FXQDATHFFFGGGH-MRXNPFEDSA-N 2 2 338.521 2.298 10 0 EEAELP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2cscn2)C1 ZINC001266116124 1323684385 /nfs/dbraw/zinc/68/43/85/1323684385.db2.gz FXQDATHFFFGGGH-MRXNPFEDSA-N 2 2 338.521 2.298 10 0 EEAELP CCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001279590720 1323951327 /nfs/dbraw/zinc/95/13/27/1323951327.db2.gz FMVYBCDVLKDZAY-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP CCCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001279590720 1323951331 /nfs/dbraw/zinc/95/13/31/1323951331.db2.gz FMVYBCDVLKDZAY-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP COCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001283907844 1326314734 /nfs/dbraw/zinc/31/47/34/1326314734.db2.gz VSYPQTCVBJIXDX-HZPDHXFCSA-N 2 2 344.459 2.344 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284019145 1326365378 /nfs/dbraw/zinc/36/53/78/1326365378.db2.gz XFXLOTCHAGYOBG-AEFFLSMTSA-N 2 2 340.471 2.472 10 0 EEAELP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001284774338 1326707396 /nfs/dbraw/zinc/70/73/96/1326707396.db2.gz RXBCUVBCLVHUKY-MGXIWDSBSA-N 2 2 330.476 2.381 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)oc1C ZINC001284927240 1326779198 /nfs/dbraw/zinc/77/91/98/1326779198.db2.gz CBVZFLNZMRXLAE-SFHVURJKSA-N 2 2 348.491 2.126 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)oc1C ZINC001284927240 1326779202 /nfs/dbraw/zinc/77/92/02/1326779202.db2.gz CBVZFLNZMRXLAE-SFHVURJKSA-N 2 2 348.491 2.126 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1=CC[NH+](Cc2nccs2)CC1 ZINC001284994622 1326817514 /nfs/dbraw/zinc/81/75/14/1326817514.db2.gz IYWRQTGLEQFLED-GASCZTMLSA-N 2 2 348.516 2.264 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1=CC[NH+](Cc2nccs2)CC1 ZINC001284994622 1326817519 /nfs/dbraw/zinc/81/75/19/1326817519.db2.gz IYWRQTGLEQFLED-GASCZTMLSA-N 2 2 348.516 2.264 10 0 EEAELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](Cc2nccs2)CC1 ZINC001284994622 1326817522 /nfs/dbraw/zinc/81/75/22/1326817522.db2.gz IYWRQTGLEQFLED-GASCZTMLSA-N 2 2 348.516 2.264 10 0 EEAELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CC[N@@H+](Cc2nccs2)CC1 ZINC001284994622 1326817526 /nfs/dbraw/zinc/81/75/26/1326817526.db2.gz IYWRQTGLEQFLED-GASCZTMLSA-N 2 2 348.516 2.264 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccsc1)C2 ZINC001492425194 1331238521 /nfs/dbraw/zinc/23/85/21/1331238521.db2.gz WZBNBCVDLCSHMS-HNNXBMFYSA-N 2 2 332.473 2.064 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[N@H+](C)Cc1ccsc1)C2 ZINC001492425194 1331238522 /nfs/dbraw/zinc/23/85/22/1331238522.db2.gz WZBNBCVDLCSHMS-HNNXBMFYSA-N 2 2 332.473 2.064 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1)[NH+](C)C ZINC001317503500 1331771737 /nfs/dbraw/zinc/77/17/37/1331771737.db2.gz OLQWSFCFIKGGEF-LSDHHAIUSA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccnc(Cl)c1)[NH+](C)C ZINC001317503500 1331771740 /nfs/dbraw/zinc/77/17/40/1331771740.db2.gz OLQWSFCFIKGGEF-LSDHHAIUSA-N 2 2 338.883 2.156 10 0 EEAELP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1nccs1 ZINC001316825773 1331857503 /nfs/dbraw/zinc/85/75/03/1331857503.db2.gz VFUXLLPKKHXTGV-UHFFFAOYSA-N 2 2 338.521 2.346 10 0 EEAELP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)Cc1nccs1 ZINC001316825773 1331857505 /nfs/dbraw/zinc/85/75/05/1331857505.db2.gz VFUXLLPKKHXTGV-UHFFFAOYSA-N 2 2 338.521 2.346 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316978202 1332026371 /nfs/dbraw/zinc/02/63/71/1332026371.db2.gz RSTZOYFHDWXZIK-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP COCCCCC[N@H+]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316978202 1332026373 /nfs/dbraw/zinc/02/63/73/1332026373.db2.gz RSTZOYFHDWXZIK-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001317159545 1332104971 /nfs/dbraw/zinc/10/49/71/1332104971.db2.gz IBBBYQFLAHZOIQ-MRXNPFEDSA-N 2 2 346.500 2.475 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001317531558 1332286237 /nfs/dbraw/zinc/28/62/37/1332286237.db2.gz DXHCTXVNCIBYPD-GFCCVEGCSA-N 2 2 332.370 2.123 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001317531558 1332286240 /nfs/dbraw/zinc/28/62/40/1332286240.db2.gz DXHCTXVNCIBYPD-GFCCVEGCSA-N 2 2 332.370 2.123 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]Cc1ccc(F)cc1F)n1cc[nH+]c1 ZINC001317636957 1332340998 /nfs/dbraw/zinc/34/09/98/1332340998.db2.gz UQBUQZOTHSWUSY-CYBMUJFWSA-N 2 2 336.386 2.361 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319537691 1332717614 /nfs/dbraw/zinc/71/76/14/1332717614.db2.gz JHWWSWFGKKOAFP-OLZOCXBDSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001319550544 1332719636 /nfs/dbraw/zinc/71/96/36/1332719636.db2.gz GUUWYQGFMTXVMP-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1C[NH2+]CCC(F)(F)F ZINC001319865829 1332788971 /nfs/dbraw/zinc/78/89/71/1332788971.db2.gz XVRNJWMQBNGOKE-GXTWGEPZSA-N 2 2 346.397 2.132 10 0 EEAELP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001320110597 1332828904 /nfs/dbraw/zinc/82/89/04/1332828904.db2.gz HYSJJWZUMPKJNL-FUHWJXTLSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCCC[N@H+]1CC[C@H]2CN(C(=O)Cc3c[nH+]cn3C)CC[C@H]21 ZINC001320110597 1332828905 /nfs/dbraw/zinc/82/89/05/1332828905.db2.gz HYSJJWZUMPKJNL-FUHWJXTLSA-N 2 2 332.492 2.466 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001320190415 1332846703 /nfs/dbraw/zinc/84/67/03/1332846703.db2.gz WVYLOPZRYYAODP-NWDGAFQWSA-N 2 2 331.247 2.077 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001320470389 1332891559 /nfs/dbraw/zinc/89/15/59/1332891559.db2.gz SPFNGMJQVXWGQM-DOTOQJQBSA-N 2 2 326.444 2.130 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)Cc1c[nH+]cn1C ZINC001320891709 1332973179 /nfs/dbraw/zinc/97/31/79/1332973179.db2.gz PTCZRJQFXFGTEO-UHFFFAOYSA-N 2 2 340.880 2.316 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1 ZINC001321284526 1333064226 /nfs/dbraw/zinc/06/42/26/1333064226.db2.gz FJWBLBLEQSWABG-HSWBROFVSA-N 2 2 330.407 2.190 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/C[NH2+]Cc1cccc(F)c1 ZINC001321284526 1333064230 /nfs/dbraw/zinc/06/42/30/1333064230.db2.gz FJWBLBLEQSWABG-HSWBROFVSA-N 2 2 330.407 2.190 10 0 EEAELP Cc1cccn2cc(CC(=O)NC/C=C\C[NH2+]CCC(C)C)[nH+]c12 ZINC001321291930 1333065515 /nfs/dbraw/zinc/06/55/15/1333065515.db2.gz BCCWTPWOKIZLQW-PLNGDYQASA-N 2 2 328.460 2.493 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001321306372 1333070176 /nfs/dbraw/zinc/07/01/76/1333070176.db2.gz HNFXAPIKXQOLRC-PYKQWIPUSA-N 2 2 328.391 2.041 10 0 EEAELP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001325542430 1333907181 /nfs/dbraw/zinc/90/71/81/1333907181.db2.gz JMAMTKBCXIYWAH-JKSUJKDBSA-N 2 2 334.508 2.473 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCC2CCCCC2)CCOCC1 ZINC001327661441 1334329891 /nfs/dbraw/zinc/32/98/91/1334329891.db2.gz KGORJRMXGZEVIU-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP O=C(NC1CC(C[NH2+]CCCCCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001328879855 1334539880 /nfs/dbraw/zinc/53/98/80/1334539880.db2.gz OJRTXRYIKKJRGA-PCKAHOCUSA-N 2 2 336.455 2.070 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CC[C@H]2CCOC2)CCCCC1 ZINC001329860547 1334728847 /nfs/dbraw/zinc/72/88/47/1334728847.db2.gz FEDFWCMXVFQOOQ-INIZCTEOSA-N 2 2 348.491 2.096 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(Cl)n1 ZINC001331224071 1334981889 /nfs/dbraw/zinc/98/18/89/1334981889.db2.gz NZXKQUASGDRXIM-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001664023195 1355075947 /nfs/dbraw/zinc/07/59/47/1355075947.db2.gz IOPOGXJRWLFYNM-KRWDZBQOSA-N 2 2 326.444 2.002 10 0 EEAELP COc1cccc(C[NH2+]C/C=C\CNC(=O)Cc2[nH]c[nH+]c2C)c1C ZINC001669162812 1356112578 /nfs/dbraw/zinc/11/25/78/1356112578.db2.gz RLXYSPJSLNYIFY-PLNGDYQASA-N 2 2 342.443 2.040 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001436320370 1342025460 /nfs/dbraw/zinc/02/54/60/1342025460.db2.gz KASBVYJZKJNULB-HIFRSBDPSA-N 2 2 340.418 2.310 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001436320370 1342025461 /nfs/dbraw/zinc/02/54/61/1342025461.db2.gz KASBVYJZKJNULB-HIFRSBDPSA-N 2 2 340.418 2.310 10 0 EEAELP Cc1conc1C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001500261126 1342118449 /nfs/dbraw/zinc/11/84/49/1342118449.db2.gz HFBBTHDESGSQSV-SFHVURJKSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1conc1C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001500261126 1342118453 /nfs/dbraw/zinc/11/84/53/1342118453.db2.gz HFBBTHDESGSQSV-SFHVURJKSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001500261126 1342118455 /nfs/dbraw/zinc/11/84/55/1342118455.db2.gz HFBBTHDESGSQSV-SFHVURJKSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001500261126 1342118457 /nfs/dbraw/zinc/11/84/57/1342118457.db2.gz HFBBTHDESGSQSV-SFHVURJKSA-N 2 2 336.480 2.042 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC001506678659 1342311391 /nfs/dbraw/zinc/31/13/91/1342311391.db2.gz KRXVCHQDYTUIJM-ZDUSSCGKSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccncc2Cl)C1 ZINC001506678659 1342311396 /nfs/dbraw/zinc/31/13/96/1342311396.db2.gz KRXVCHQDYTUIJM-ZDUSSCGKSA-N 2 2 338.883 2.012 10 0 EEAELP Cc1ccc(CCC[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCC2)cc1 ZINC001673242447 1356656996 /nfs/dbraw/zinc/65/69/96/1356656996.db2.gz ZCPMUGINEFPFTM-UHFFFAOYSA-N 2 2 340.471 2.453 10 0 EEAELP O=C(NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001566714985 1342611595 /nfs/dbraw/zinc/61/15/95/1342611595.db2.gz RCZDSCYXHXQVQE-ZWKOTPCHSA-N 2 2 342.487 2.430 10 0 EEAELP O=C(NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001566714981 1342611682 /nfs/dbraw/zinc/61/16/82/1342611682.db2.gz RCZDSCYXHXQVQE-MSOLQXFVSA-N 2 2 342.487 2.430 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001567267347 1342729333 /nfs/dbraw/zinc/72/93/33/1342729333.db2.gz VXULMFZRTNZUEM-SFHVURJKSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001567267347 1342729337 /nfs/dbraw/zinc/72/93/37/1342729337.db2.gz VXULMFZRTNZUEM-SFHVURJKSA-N 2 2 341.459 2.148 10 0 EEAELP C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccnc(Cl)c1 ZINC001567288588 1342733931 /nfs/dbraw/zinc/73/39/31/1342733931.db2.gz KXSXCJUCMTXXAV-UHFFFAOYSA-N 2 2 343.818 2.473 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)Cc1ccnc(Cl)c1 ZINC001567288588 1342733934 /nfs/dbraw/zinc/73/39/34/1342733934.db2.gz KXSXCJUCMTXXAV-UHFFFAOYSA-N 2 2 343.818 2.473 10 0 EEAELP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001569981491 1342987538 /nfs/dbraw/zinc/98/75/38/1342987538.db2.gz IKCXFTSVSFQDSR-MRXNPFEDSA-N 2 2 332.492 2.246 10 0 EEAELP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001571362146 1343199091 /nfs/dbraw/zinc/19/90/91/1343199091.db2.gz CRDFYRQKNVRNBY-WMZOPIPTSA-N 2 2 330.476 2.072 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCF)[C@@H]2C1 ZINC001571509649 1343223655 /nfs/dbraw/zinc/22/36/55/1343223655.db2.gz UZAVKBHNNQKURU-UAGQMJEPSA-N 2 2 349.450 2.209 10 0 EEAELP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001676894084 1357235940 /nfs/dbraw/zinc/23/59/40/1357235940.db2.gz NBDJIZKWTSGHJI-CVEARBPZSA-N 2 2 336.480 2.046 10 0 EEAELP CCCCOCC[N@H+]1CCC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001676894084 1357235947 /nfs/dbraw/zinc/23/59/47/1357235947.db2.gz NBDJIZKWTSGHJI-CVEARBPZSA-N 2 2 336.480 2.046 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cs1 ZINC001677603590 1357370607 /nfs/dbraw/zinc/37/06/07/1357370607.db2.gz WWLMXYVTSFKXPV-CQSZACIVSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C[NH+]3CC[C@@H](C)C3)CC2)cs1 ZINC001677603590 1357370612 /nfs/dbraw/zinc/37/06/12/1357370612.db2.gz WWLMXYVTSFKXPV-CQSZACIVSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3CC[C@@H](C)C3)CC2)cs1 ZINC001677603590 1357370617 /nfs/dbraw/zinc/37/06/17/1357370617.db2.gz WWLMXYVTSFKXPV-CQSZACIVSA-N 2 2 348.516 2.042 10 0 EEAELP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001656894363 1354295427 /nfs/dbraw/zinc/29/54/27/1354295427.db2.gz OAGBKXYZSTYDQT-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001656963801 1354303864 /nfs/dbraw/zinc/30/38/64/1354303864.db2.gz APWRQAACZZMQEK-IKGGRYGDSA-N 2 2 336.480 2.086 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)[C@H]1C ZINC001656963801 1354303866 /nfs/dbraw/zinc/30/38/66/1354303866.db2.gz APWRQAACZZMQEK-IKGGRYGDSA-N 2 2 336.480 2.086 10 0 EEAELP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001664027998 1355076428 /nfs/dbraw/zinc/07/64/28/1355076428.db2.gz GTXBFFCGNHYHFT-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1ncoc1C[NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001664097722 1355091787 /nfs/dbraw/zinc/09/17/87/1355091787.db2.gz RIAUNPPRURMOTK-UHFFFAOYSA-N 2 2 339.399 2.031 10 0 EEAELP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001665641525 1355344426 /nfs/dbraw/zinc/34/44/26/1355344426.db2.gz BMYCYYVWPPSQBO-HOTGVXAUSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001665641525 1355344430 /nfs/dbraw/zinc/34/44/30/1355344430.db2.gz BMYCYYVWPPSQBO-HOTGVXAUSA-N 2 2 336.455 2.118 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001665676474 1355355217 /nfs/dbraw/zinc/35/52/17/1355355217.db2.gz MBPDXRLCHPIPIV-HUUCEWRRSA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001665676474 1355355223 /nfs/dbraw/zinc/35/52/23/1355355223.db2.gz MBPDXRLCHPIPIV-HUUCEWRRSA-N 2 2 338.883 2.108 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001665737869 1355378677 /nfs/dbraw/zinc/37/86/77/1355378677.db2.gz NMKQNKUILDTDON-QGZVFWFLSA-N 2 2 336.480 2.138 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001665737869 1355378678 /nfs/dbraw/zinc/37/86/78/1355378678.db2.gz NMKQNKUILDTDON-QGZVFWFLSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@](C)(NC(=O)Cc2c[nH]c[nH+]2)C2CC2)cc1 ZINC001666026342 1355427830 /nfs/dbraw/zinc/42/78/30/1355427830.db2.gz MCKKFLNTAULXMF-HXUWFJFHSA-N 2 2 340.471 2.378 10 0 EEAELP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001667267414 1355693690 /nfs/dbraw/zinc/69/36/90/1355693690.db2.gz JPCGKRJPHKUFAV-IAGOWNOFSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCc1cccs1 ZINC001667395282 1355731172 /nfs/dbraw/zinc/73/11/72/1355731172.db2.gz ZBTAUGLYVHEQSE-YOEHRIQHSA-N 2 2 346.500 2.473 10 0 EEAELP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]Cc2ncc(C(C)(C)C)o2)CCC1 ZINC001668865512 1356028401 /nfs/dbraw/zinc/02/84/01/1356028401.db2.gz ZCFSLRKRWMFKDF-SREVYHEPSA-N 2 2 348.491 2.218 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]C/C=C\CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001668928648 1356047316 /nfs/dbraw/zinc/04/73/16/1356047316.db2.gz AABTXDUJKVUMQB-JZIMQPMSSA-N 2 2 342.443 2.025 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001672901419 1356610665 /nfs/dbraw/zinc/61/06/65/1356610665.db2.gz GXPRPCHKXDDBMQ-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001673382113 1356681168 /nfs/dbraw/zinc/68/11/68/1356681168.db2.gz WYZLWJRBHLQRSQ-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP COCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001673382113 1356681170 /nfs/dbraw/zinc/68/11/70/1356681170.db2.gz WYZLWJRBHLQRSQ-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001674839534 1356902193 /nfs/dbraw/zinc/90/21/93/1356902193.db2.gz HHAIYQCPWVJDRC-KXQLTZBTSA-N 2 2 338.883 2.272 10 0 EEAELP CCC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001698867483 1405119989 /nfs/dbraw/zinc/11/99/89/1405119989.db2.gz KZOVIPVQNLSULV-YOEHRIQHSA-N 2 2 335.496 2.321 10 0 EEAELP CCC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001698867483 1405119994 /nfs/dbraw/zinc/11/99/94/1405119994.db2.gz KZOVIPVQNLSULV-YOEHRIQHSA-N 2 2 335.496 2.321 10 0 EEAELP CN1CCCc2cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc21 ZINC000820476458 785939704 /nfs/dbraw/zinc/93/97/04/785939704.db2.gz DLERTITVOAZZPT-UHFFFAOYSA-N 2 2 347.507 2.074 10 0 EEAELP CN1CCCc2cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc21 ZINC000820476458 785939708 /nfs/dbraw/zinc/93/97/08/785939708.db2.gz DLERTITVOAZZPT-UHFFFAOYSA-N 2 2 347.507 2.074 10 0 EEAELP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922951383 788427894 /nfs/dbraw/zinc/42/78/94/788427894.db2.gz NNOBUETYEUSRCP-MAUKXSAKSA-N 2 2 331.460 2.247 10 0 EEAELP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CC[N@H+]1C1CCOCC1 ZINC000922951383 788427899 /nfs/dbraw/zinc/42/78/99/788427899.db2.gz NNOBUETYEUSRCP-MAUKXSAKSA-N 2 2 331.460 2.247 10 0 EEAELP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915553 788473141 /nfs/dbraw/zinc/47/31/41/788473141.db2.gz ODQWOHUYNSXNKI-MSOLQXFVSA-N 2 2 331.435 2.097 10 0 EEAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915553 788473145 /nfs/dbraw/zinc/47/31/45/788473145.db2.gz ODQWOHUYNSXNKI-MSOLQXFVSA-N 2 2 331.435 2.097 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373844 789033279 /nfs/dbraw/zinc/03/32/79/789033279.db2.gz RTVFTTBJZVZSFX-ZWKOTPCHSA-N 2 2 338.879 2.080 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373844 789033292 /nfs/dbraw/zinc/03/32/92/789033292.db2.gz RTVFTTBJZVZSFX-ZWKOTPCHSA-N 2 2 338.879 2.080 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381664 789078154 /nfs/dbraw/zinc/07/81/54/789078154.db2.gz QJEXUMRNTXZVJK-QZTJIDSGSA-N 2 2 338.879 2.079 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381664 789078160 /nfs/dbraw/zinc/07/81/60/789078160.db2.gz QJEXUMRNTXZVJK-QZTJIDSGSA-N 2 2 338.879 2.079 10 0 EEAELP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381664 789078167 /nfs/dbraw/zinc/07/81/67/789078167.db2.gz QJEXUMRNTXZVJK-QZTJIDSGSA-N 2 2 338.879 2.079 10 0 EEAELP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1)C1CC1 ZINC000844381664 789078180 /nfs/dbraw/zinc/07/81/80/789078180.db2.gz QJEXUMRNTXZVJK-QZTJIDSGSA-N 2 2 338.879 2.079 10 0 EEAELP CCC1([NH+]2CCCC2)CCN(C(=O)/C=C(\C)C[NH+]2CCOCC2)CC1 ZINC000913647968 794020422 /nfs/dbraw/zinc/02/04/22/794020422.db2.gz MVJNGEISAFYRNF-FBMGVBCBSA-N 2 2 349.519 2.132 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)nc2N)CC[N@@H+]1C ZINC000929783572 794749857 /nfs/dbraw/zinc/74/98/57/794749857.db2.gz UQDIMMKYWLYLFM-CMPLNLGQSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)nc2N)CC[N@H+]1C ZINC000929783572 794749862 /nfs/dbraw/zinc/74/98/62/794749862.db2.gz UQDIMMKYWLYLFM-CMPLNLGQSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)nc2N)CC[NH+]1C ZINC000929783572 794749867 /nfs/dbraw/zinc/74/98/67/794749867.db2.gz UQDIMMKYWLYLFM-CMPLNLGQSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)nc2N)CC[NH+]1C ZINC000929783572 794749871 /nfs/dbraw/zinc/74/98/71/794749871.db2.gz UQDIMMKYWLYLFM-CMPLNLGQSA-N 2 2 327.270 2.341 10 0 EEAELP CCO[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1)C[NH+](C)C ZINC000922755199 801822299 /nfs/dbraw/zinc/82/22/99/801822299.db2.gz YDFCTJPUUJURGR-KRWDZBQOSA-N 2 2 334.439 2.283 10 0 EEAELP CNC(=O)[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(C)C ZINC000787325523 807090003 /nfs/dbraw/zinc/09/00/03/807090003.db2.gz YXHPTLKZXUXDBJ-SFHVURJKSA-N 2 2 332.492 2.082 10 0 EEAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001565979756 1125480907 /nfs/dbraw/zinc/48/09/07/1125480907.db2.gz CQFBZGLYMHSHLX-MJGOQNOKSA-N 2 2 340.471 2.343 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001566050381 1125527638 /nfs/dbraw/zinc/52/76/38/1125527638.db2.gz OHRBGMPLUVGKIB-KURKYZTESA-N 2 2 348.491 2.041 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001566050381 1125527642 /nfs/dbraw/zinc/52/76/42/1125527642.db2.gz OHRBGMPLUVGKIB-KURKYZTESA-N 2 2 348.491 2.041 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)Cc3cncs3)ccn12 ZINC001566454480 1125614744 /nfs/dbraw/zinc/61/47/44/1125614744.db2.gz XHDMOUVOYONDOQ-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)Cc3cncs3)ccn12 ZINC001566454480 1125614746 /nfs/dbraw/zinc/61/47/46/1125614746.db2.gz XHDMOUVOYONDOQ-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001436502826 1088038528 /nfs/dbraw/zinc/03/85/28/1088038528.db2.gz XVPMQYSRLJIMHT-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001436502826 1088038543 /nfs/dbraw/zinc/03/85/43/1088038543.db2.gz XVPMQYSRLJIMHT-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](Cc2coc(C3CC3)n2)CC1 ZINC001436673695 1088119432 /nfs/dbraw/zinc/11/94/32/1088119432.db2.gz NTZGZADEHUCNDJ-UHFFFAOYSA-N 2 2 348.491 2.317 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](C[C@H](F)CC)CC1 ZINC001436760188 1088273649 /nfs/dbraw/zinc/27/36/49/1088273649.db2.gz REPIBFPFYSPESQ-OAHLLOKOSA-N 2 2 338.471 2.414 10 0 EEAELP Cc1nc(C[NH2+][C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)cs1 ZINC001436811000 1088399624 /nfs/dbraw/zinc/39/96/24/1088399624.db2.gz FAPYWTUGAIVQMJ-LRDDRELGSA-N 2 2 347.488 2.284 10 0 EEAELP C[C@H](CC(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001437526161 1089952904 /nfs/dbraw/zinc/95/29/04/1089952904.db2.gz MAPGXTFBGZYRHH-KGLIPLIRSA-N 2 2 328.407 2.318 10 0 EEAELP C[C@H](CC(=O)NCC[N@@H+](C)C[C@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001437526161 1089952927 /nfs/dbraw/zinc/95/29/27/1089952927.db2.gz MAPGXTFBGZYRHH-KGLIPLIRSA-N 2 2 328.407 2.318 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@H]2CNC(=O)CC[C@H]2CCC[N@H+]2C)c(C)o1 ZINC001437683549 1090220047 /nfs/dbraw/zinc/22/00/47/1090220047.db2.gz XXWYNMQBWNQIPK-IAGOWNOFSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@H]2CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC001437683549 1090220051 /nfs/dbraw/zinc/22/00/51/1090220051.db2.gz XXWYNMQBWNQIPK-IAGOWNOFSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)CC[C@H]2CCC[NH+]2C)c(C)o1 ZINC001437683549 1090220054 /nfs/dbraw/zinc/22/00/54/1090220054.db2.gz XXWYNMQBWNQIPK-IAGOWNOFSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[C@H]2CCC[NH+]2C)c(C)o1 ZINC001437683549 1090220059 /nfs/dbraw/zinc/22/00/59/1090220059.db2.gz XXWYNMQBWNQIPK-IAGOWNOFSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001437731026 1090288014 /nfs/dbraw/zinc/28/80/14/1090288014.db2.gz QPGGJZVAWBPQAU-CZUORRHYSA-N 2 2 345.447 2.077 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001437731026 1090288016 /nfs/dbraw/zinc/28/80/16/1090288016.db2.gz QPGGJZVAWBPQAU-CZUORRHYSA-N 2 2 345.447 2.077 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001438229873 1090708867 /nfs/dbraw/zinc/70/88/67/1090708867.db2.gz IQYBBETXIJFRTH-UKRRQHHQSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001438229873 1090708871 /nfs/dbraw/zinc/70/88/71/1090708871.db2.gz IQYBBETXIJFRTH-UKRRQHHQSA-N 2 2 340.418 2.412 10 0 EEAELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001438349215 1090826154 /nfs/dbraw/zinc/82/61/54/1090826154.db2.gz PKCFDFDTACJKQP-CJNGLKHVSA-N 2 2 332.423 2.412 10 0 EEAELP CC[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001438349215 1090826162 /nfs/dbraw/zinc/82/61/62/1090826162.db2.gz PKCFDFDTACJKQP-CJNGLKHVSA-N 2 2 332.423 2.412 10 0 EEAELP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001438440532 1090942604 /nfs/dbraw/zinc/94/26/04/1090942604.db2.gz PVHZVWDOOYNPOT-QKPAOTATSA-N 2 2 336.455 2.211 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1c(F)cccc1F ZINC001438516615 1091008449 /nfs/dbraw/zinc/00/84/49/1091008449.db2.gz BYLKWZGNVAZWLS-CYBMUJFWSA-N 2 2 336.386 2.094 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438716319 1091237998 /nfs/dbraw/zinc/23/79/98/1091237998.db2.gz SVHKQYSMDZADLU-GFCCVEGCSA-N 2 2 338.814 2.312 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001445578064 1091362094 /nfs/dbraw/zinc/36/20/94/1091362094.db2.gz UGRIGHMADTXIFG-ZDUSSCGKSA-N 2 2 331.391 2.066 10 0 EEAELP C[C@H](C[NH2+]Cc1csc(C2CC2)n1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001439155304 1091797296 /nfs/dbraw/zinc/79/72/96/1091797296.db2.gz KLYMYWWOINXFJK-CHWSQXEVSA-N 2 2 347.488 2.463 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC001439224952 1091869467 /nfs/dbraw/zinc/86/94/67/1091869467.db2.gz XUWWKPHHZAXZRP-DLBZAZTESA-N 2 2 340.471 2.357 10 0 EEAELP O=C(N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001445961749 1091910399 /nfs/dbraw/zinc/91/03/99/1091910399.db2.gz ROUQGQKSWNFESZ-ROUUACIJSA-N 2 2 338.455 2.130 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cnn(C(C)(C)C)c1)n1cc[nH+]c1 ZINC001439259481 1091910869 /nfs/dbraw/zinc/91/08/69/1091910869.db2.gz FUSFOBLHUWCJOC-LSDHHAIUSA-N 2 2 346.479 2.080 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cs1 ZINC001439338284 1092036042 /nfs/dbraw/zinc/03/60/42/1092036042.db2.gz JPZMFADJMYAWDT-BBRMVZONSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cs1 ZINC001439338284 1092036051 /nfs/dbraw/zinc/03/60/51/1092036051.db2.gz JPZMFADJMYAWDT-BBRMVZONSA-N 2 2 346.500 2.452 10 0 EEAELP CCO[C@@H](C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001446064271 1092080948 /nfs/dbraw/zinc/08/09/48/1092080948.db2.gz OCCCZYWFGXOBSH-QAPCUYQASA-N 2 2 342.443 2.182 10 0 EEAELP CCO[C@@H](C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001446064271 1092080958 /nfs/dbraw/zinc/08/09/58/1092080958.db2.gz OCCCZYWFGXOBSH-QAPCUYQASA-N 2 2 342.443 2.182 10 0 EEAELP C[C@H](C[N@H+](C)[C@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439377527 1092119042 /nfs/dbraw/zinc/11/90/42/1092119042.db2.gz YSEFITJGLPRASN-DIFFPNOSSA-N 2 2 348.397 2.354 10 0 EEAELP C[C@H](C[N@@H+](C)[C@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001439377527 1092119045 /nfs/dbraw/zinc/11/90/45/1092119045.db2.gz YSEFITJGLPRASN-DIFFPNOSSA-N 2 2 348.397 2.354 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001439418844 1092187572 /nfs/dbraw/zinc/18/75/72/1092187572.db2.gz MLVPALYRUVWEDA-CLPVEKAFSA-N 2 2 345.274 2.467 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1)c1ccccc1 ZINC001446222192 1092321645 /nfs/dbraw/zinc/32/16/45/1092321645.db2.gz WXVXAMQEVCOSCJ-WBVHZDCISA-N 2 2 338.455 2.445 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@](C)(NC(=O)CCC[NH+]3CCCC3)C2)c(C)o1 ZINC001439870332 1092905695 /nfs/dbraw/zinc/90/56/95/1092905695.db2.gz JGMMCWXZMMGYNX-IBGZPJMESA-N 2 2 348.491 2.248 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)CCC[NH+]3CCCC3)C2)c(C)o1 ZINC001439870332 1092905705 /nfs/dbraw/zinc/90/57/05/1092905705.db2.gz JGMMCWXZMMGYNX-IBGZPJMESA-N 2 2 348.491 2.248 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001448516187 1093543496 /nfs/dbraw/zinc/54/34/96/1093543496.db2.gz YNNULKRLZJPSHQ-BRWVUGGUSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@H]2CC(C)(C)CO2)C1)n1cc[nH+]c1 ZINC001448528301 1093561828 /nfs/dbraw/zinc/56/18/28/1093561828.db2.gz VDHJOFXLPCRWMR-QBPKDAKJSA-N 2 2 348.491 2.134 10 0 EEAELP CC1([NH2+]CCc2ccccc2F)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001440604542 1093869424 /nfs/dbraw/zinc/86/94/24/1093869424.db2.gz IMUOMJVVKBKFAT-UHFFFAOYSA-N 2 2 344.434 2.305 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2[nH+]ccn2C)cc1F ZINC001440819391 1094072323 /nfs/dbraw/zinc/07/23/23/1094072323.db2.gz WMULCRXHVKVICA-LSDHHAIUSA-N 2 2 346.450 2.483 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001440841567 1094098163 /nfs/dbraw/zinc/09/81/63/1094098163.db2.gz VMDNYZPOVJJCPP-UONOGXRCSA-N 2 2 326.444 2.124 10 0 EEAELP C[C@@H](c1c(F)cccc1F)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441109797 1094422929 /nfs/dbraw/zinc/42/29/29/1094422929.db2.gz IKFCHIZXSCTCPC-STQMWFEESA-N 2 2 325.403 2.168 10 0 EEAELP C[C@@H](c1c(F)cccc1F)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441109797 1094422931 /nfs/dbraw/zinc/42/29/31/1094422931.db2.gz IKFCHIZXSCTCPC-STQMWFEESA-N 2 2 325.403 2.168 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC001441859588 1095957594 /nfs/dbraw/zinc/95/75/94/1095957594.db2.gz RUKNVFQOTGFALU-IRXDYDNUSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001441875269 1095995579 /nfs/dbraw/zinc/99/55/79/1095995579.db2.gz MTSAOLKKJFFWJW-DZGCQCFKSA-N 2 2 346.862 2.393 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@H]2C1 ZINC001441889646 1096023450 /nfs/dbraw/zinc/02/34/50/1096023450.db2.gz ZFFWSPLGDYWDIG-UVQUYYEQSA-N 2 2 336.867 2.230 10 0 EEAELP C[N@H+](CCCc1cccc(F)c1)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001442413675 1096735279 /nfs/dbraw/zinc/73/52/79/1096735279.db2.gz DMBJVTCDTGZJJU-IAGOWNOFSA-N 2 2 344.434 2.333 10 0 EEAELP C[N@@H+](CCCc1cccc(F)c1)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001442413675 1096735286 /nfs/dbraw/zinc/73/52/86/1096735286.db2.gz DMBJVTCDTGZJJU-IAGOWNOFSA-N 2 2 344.434 2.333 10 0 EEAELP C[N@H+](CCCc1cccc(F)c1)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001442413675 1096735289 /nfs/dbraw/zinc/73/52/89/1096735289.db2.gz DMBJVTCDTGZJJU-IAGOWNOFSA-N 2 2 344.434 2.333 10 0 EEAELP C[N@@H+](CCCc1cccc(F)c1)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001442413675 1096735291 /nfs/dbraw/zinc/73/52/91/1096735291.db2.gz DMBJVTCDTGZJJU-IAGOWNOFSA-N 2 2 344.434 2.333 10 0 EEAELP CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001443213864 1097668384 /nfs/dbraw/zinc/66/83/84/1097668384.db2.gz SGXVXECHFFBTDQ-IAGOWNOFSA-N 2 2 330.476 2.168 10 0 EEAELP CCCN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001443213864 1097668385 /nfs/dbraw/zinc/66/83/85/1097668385.db2.gz SGXVXECHFFBTDQ-IAGOWNOFSA-N 2 2 330.476 2.168 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001443868611 1098393314 /nfs/dbraw/zinc/39/33/14/1098393314.db2.gz KVGOVSBMEZFHCX-HOTGVXAUSA-N 2 2 345.447 2.172 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC001443868611 1098393322 /nfs/dbraw/zinc/39/33/22/1098393322.db2.gz KVGOVSBMEZFHCX-HOTGVXAUSA-N 2 2 345.447 2.172 10 0 EEAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ncc(C)s1 ZINC001444010685 1098527443 /nfs/dbraw/zinc/52/74/43/1098527443.db2.gz QEIXVAQRCHYBHV-TZMCWYRMSA-N 2 2 335.477 2.284 10 0 EEAELP 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DBEHGXZGPHRBNC-HNNXBMFYSA-N 2 2 336.480 2.091 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001480551988 1100389248 /nfs/dbraw/zinc/38/92/48/1100389248.db2.gz AYPGUPGAXXYPSQ-KGLIPLIRSA-N 2 2 339.443 2.364 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001480551988 1100389255 /nfs/dbraw/zinc/38/92/55/1100389255.db2.gz AYPGUPGAXXYPSQ-KGLIPLIRSA-N 2 2 339.443 2.364 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CC[C@H]1CCOC1)C1CCCCC1 ZINC001496324177 1100918954 /nfs/dbraw/zinc/91/89/54/1100918954.db2.gz NWFMNDDOOVMYEQ-MAUKXSAKSA-N 2 2 348.491 2.034 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229658 1100918979 /nfs/dbraw/zinc/91/89/79/1100918979.db2.gz JOCKJAXYIVLORU-UYAOXDASSA-N 2 2 349.519 2.082 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)N[C@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229658 1100918993 /nfs/dbraw/zinc/91/89/93/1100918993.db2.gz JOCKJAXYIVLORU-UYAOXDASSA-N 2 2 349.519 2.082 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccns2)C1)n1cc[nH+]c1 ZINC001446592796 1101084339 /nfs/dbraw/zinc/08/43/39/1101084339.db2.gz HKXGRIAPEDUBLX-YOEHRIQHSA-N 2 2 347.488 2.319 10 0 EEAELP CC1CC(C[NH2+]CC[C@@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001495377589 1101096127 /nfs/dbraw/zinc/09/61/27/1101096127.db2.gz FELCLLKNBADXIK-CGZBRXJRSA-N 2 2 332.492 2.227 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c1 ZINC001496608384 1101210490 /nfs/dbraw/zinc/21/04/90/1101210490.db2.gz SNHKSEKIBLIUQH-RDTXWAMCSA-N 2 2 344.459 2.452 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c1 ZINC001496608382 1101210941 /nfs/dbraw/zinc/21/09/41/1101210941.db2.gz SNHKSEKIBLIUQH-KDOFPFPSSA-N 2 2 344.459 2.452 10 0 EEAELP CC(C)CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446724586 1101295799 /nfs/dbraw/zinc/29/57/99/1101295799.db2.gz JIIQZOGANXLJDI-CQSZACIVSA-N 2 2 342.434 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446724586 1101295804 /nfs/dbraw/zinc/29/58/04/1101295804.db2.gz JIIQZOGANXLJDI-CQSZACIVSA-N 2 2 342.434 2.462 10 0 EEAELP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001496095217 1102048236 /nfs/dbraw/zinc/04/82/36/1102048236.db2.gz VLFVSNJRNGZBRU-CABCVRRESA-N 2 2 346.500 2.186 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC=C(Cl)Cl ZINC001497683218 1102897390 /nfs/dbraw/zinc/89/73/90/1102897390.db2.gz LTYIHZVQOGYFHX-JDEDCZITSA-N 2 2 343.258 2.105 10 0 EEAELP CCc1cnc(C[NH2+]C/C=C/CNC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001497713652 1102952505 /nfs/dbraw/zinc/95/25/05/1102952505.db2.gz RIHQFGWISAHEJQ-AATRIKPKSA-N 2 2 348.491 2.119 10 0 EEAELP CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001497839718 1103174302 /nfs/dbraw/zinc/17/43/02/1103174302.db2.gz IZEHCRNKAQERBF-QAPCUYQASA-N 2 2 340.471 2.302 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC001497839152 1103174710 /nfs/dbraw/zinc/17/47/10/1103174710.db2.gz 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COCCCC[N@H+]1CC[C@H](CCNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001494032324 1103393980 /nfs/dbraw/zinc/39/39/80/1103393980.db2.gz GJPXGUAZYWRNON-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP Cc1csc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001448078552 1103953370 /nfs/dbraw/zinc/95/33/70/1103953370.db2.gz IWJAHOHBOGXOHX-ZNMIVQPWSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001448078552 1103953373 /nfs/dbraw/zinc/95/33/73/1103953373.db2.gz IWJAHOHBOGXOHX-ZNMIVQPWSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC001448078552 1103953382 /nfs/dbraw/zinc/95/33/82/1103953382.db2.gz IWJAHOHBOGXOHX-ZNMIVQPWSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1csc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC001448078552 1103953391 /nfs/dbraw/zinc/95/33/91/1103953391.db2.gz IWJAHOHBOGXOHX-ZNMIVQPWSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001448094205 1103989259 /nfs/dbraw/zinc/98/92/59/1103989259.db2.gz QYMIQNJXBZIQEW-QWHCGFSZSA-N 2 2 333.436 2.076 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001448094205 1103989267 /nfs/dbraw/zinc/98/92/67/1103989267.db2.gz QYMIQNJXBZIQEW-QWHCGFSZSA-N 2 2 333.436 2.076 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc2cnc(C)s2)c[nH+]1 ZINC001480773706 1107089831 /nfs/dbraw/zinc/08/98/31/1107089831.db2.gz NPXKKNPRQDPQPK-GFCCVEGCSA-N 2 2 349.504 2.376 10 0 EEAELP CCc1nocc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001480830556 1107219559 /nfs/dbraw/zinc/21/95/59/1107219559.db2.gz XKIYUIGLHIOEER-INIZCTEOSA-N 2 2 345.447 2.064 10 0 EEAELP CCc1nocc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001480830556 1107219569 /nfs/dbraw/zinc/21/95/69/1107219569.db2.gz XKIYUIGLHIOEER-INIZCTEOSA-N 2 2 345.447 2.064 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498324563 1107294184 /nfs/dbraw/zinc/29/41/84/1107294184.db2.gz SUJQFBIEGNIELB-ZFWWWQNUSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccsc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498324563 1107294192 /nfs/dbraw/zinc/29/41/92/1107294192.db2.gz SUJQFBIEGNIELB-ZFWWWQNUSA-N 2 2 332.473 2.144 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccn2)c[nH+]1 ZINC001493111433 1107516598 /nfs/dbraw/zinc/51/65/98/1107516598.db2.gz NWMRHZZIJBRLKZ-QGZVFWFLSA-N 2 2 341.459 2.102 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccn2)c[nH+]1 ZINC001493111433 1107516601 /nfs/dbraw/zinc/51/66/01/1107516601.db2.gz NWMRHZZIJBRLKZ-QGZVFWFLSA-N 2 2 341.459 2.102 10 0 EEAELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CC(F)(F)C(F)F ZINC001498656849 1107908049 /nfs/dbraw/zinc/90/80/49/1107908049.db2.gz BSJRATKHPFXGSU-RYUDHWBXSA-N 2 2 341.393 2.198 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1)c1nc2ccccc2o1 ZINC001498660357 1107913149 /nfs/dbraw/zinc/91/31/49/1107913149.db2.gz FVGZSNQUCDCTAL-CQSZACIVSA-N 2 2 341.415 2.224 10 0 EEAELP COc1cccc([C@H](C)[N@H+](CCNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001493429131 1108142640 /nfs/dbraw/zinc/14/26/40/1108142640.db2.gz SHHQTJJQODKWHP-AWEZNQCLSA-N 2 2 342.443 2.303 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](CCNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001493429131 1108142643 /nfs/dbraw/zinc/14/26/43/1108142643.db2.gz SHHQTJJQODKWHP-AWEZNQCLSA-N 2 2 342.443 2.303 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001493603659 1108390513 /nfs/dbraw/zinc/39/05/13/1108390513.db2.gz PHTRLHVVSXNRPD-MRXNPFEDSA-N 2 2 344.434 2.141 10 0 EEAELP O[C@H]1CCC[N@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001460055119 1110254305 /nfs/dbraw/zinc/25/43/05/1110254305.db2.gz YMBAGHAKYVJLOF-SFHVURJKSA-N 2 2 337.895 2.309 10 0 EEAELP O[C@H]1CCC[N@@H+](CCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001460055119 1110254309 /nfs/dbraw/zinc/25/43/09/1110254309.db2.gz YMBAGHAKYVJLOF-SFHVURJKSA-N 2 2 337.895 2.309 10 0 EEAELP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)c1cnc(C)cn1 ZINC001479265991 1110672283 /nfs/dbraw/zinc/67/22/83/1110672283.db2.gz WIGMUPIERJLLRY-IAGOWNOFSA-N 2 2 347.507 2.111 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)c1cnc(C)cn1 ZINC001479265991 1110672284 /nfs/dbraw/zinc/67/22/84/1110672284.db2.gz WIGMUPIERJLLRY-IAGOWNOFSA-N 2 2 347.507 2.111 10 0 EEAELP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)c1cnc(C)cn1 ZINC001479265991 1110672286 /nfs/dbraw/zinc/67/22/86/1110672286.db2.gz WIGMUPIERJLLRY-IAGOWNOFSA-N 2 2 347.507 2.111 10 0 EEAELP CCC[NH+](C)CCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H](C)c1cnc(C)cn1 ZINC001479265991 1110672288 /nfs/dbraw/zinc/67/22/88/1110672288.db2.gz WIGMUPIERJLLRY-IAGOWNOFSA-N 2 2 347.507 2.111 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)co1 ZINC001499458855 1112296162 /nfs/dbraw/zinc/29/61/62/1112296162.db2.gz QBFVRHAHPLDNGJ-QGZVFWFLSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)CCc1[nH+]ccn1C ZINC001499839787 1112506983 /nfs/dbraw/zinc/50/69/83/1112506983.db2.gz LACNYOYRRVRXPM-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001499897808 1112532852 /nfs/dbraw/zinc/53/28/52/1112532852.db2.gz ZPZZGHGIJFMKSH-WBVHZDCISA-N 2 2 332.492 2.389 10 0 EEAELP Cc1ccc(C[NH+]2CCC(C)(NC(=O)Cc3c[nH]c[nH+]3)CC2)c(C)n1 ZINC001499998454 1112572258 /nfs/dbraw/zinc/57/22/58/1112572258.db2.gz OSXKSLYRMJIGAV-UHFFFAOYSA-N 2 2 341.459 2.135 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]Cc2ccc(F)cc2)C1 ZINC001501641497 1113412011 /nfs/dbraw/zinc/41/20/11/1113412011.db2.gz ZDDALOVHNPYAOE-INIZCTEOSA-N 2 2 344.434 2.428 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]C[C@H]2CCCCO2)C1 ZINC001501654679 1113416946 /nfs/dbraw/zinc/41/69/46/1113416946.db2.gz DCEMNRANVGMKMK-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP CC(C)CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCn1cc[nH+]c1)O2 ZINC001502437036 1113682799 /nfs/dbraw/zinc/68/27/99/1113682799.db2.gz VJUYYMCGOMVKRV-QGZVFWFLSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC001505522653 1114033797 /nfs/dbraw/zinc/03/37/97/1114033797.db2.gz BMMIMUUEFBRPGI-HLIUYOAVSA-N 2 2 344.434 2.412 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC001505522653 1114033799 /nfs/dbraw/zinc/03/37/99/1114033799.db2.gz BMMIMUUEFBRPGI-HLIUYOAVSA-N 2 2 344.434 2.412 10 0 EEAELP COc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)c1C ZINC001505664218 1114117462 /nfs/dbraw/zinc/11/74/62/1114117462.db2.gz OKBNGEUOLCDJNI-HZPDHXFCSA-N 2 2 344.459 2.273 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC001505768503 1114180095 /nfs/dbraw/zinc/18/00/95/1114180095.db2.gz OCAKXVHZHYLQEU-RYUDHWBXSA-N 2 2 338.814 2.359 10 0 EEAELP CCCC[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001506537460 1114682757 /nfs/dbraw/zinc/68/27/57/1114682757.db2.gz NOWMVDKMVJXBAH-FEGLDZKKSA-N 2 2 338.883 2.463 10 0 EEAELP Cc1ncc(C[NH2+]CCC[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001506946803 1114994824 /nfs/dbraw/zinc/99/48/24/1114994824.db2.gz RSQNSLPAONMZSA-NSHDSACASA-N 2 2 335.477 2.100 10 0 EEAELP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001507015730 1115055308 /nfs/dbraw/zinc/05/53/08/1115055308.db2.gz QBKUZJYZSOLVIY-IAGOWNOFSA-N 2 2 330.476 2.072 10 0 EEAELP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001507016148 1115055944 /nfs/dbraw/zinc/05/59/44/1115055944.db2.gz UKYSOMIDAUCGMX-FUHWJXTLSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)cc1Cl ZINC001507163921 1115142805 /nfs/dbraw/zinc/14/28/05/1115142805.db2.gz OALPFWGPZQZHDU-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567892277 1124160435 /nfs/dbraw/zinc/16/04/35/1124160435.db2.gz CMBPRXWIVCYCAG-PPPANMTLSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567892277 1124160439 /nfs/dbraw/zinc/16/04/39/1124160439.db2.gz CMBPRXWIVCYCAG-PPPANMTLSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CCc1ccc(Cl)cc1 ZINC001568210811 1124356724 /nfs/dbraw/zinc/35/67/24/1124356724.db2.gz FBFPJFRXWXIANL-AWEZNQCLSA-N 2 2 334.851 2.121 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001568391014 1124460676 /nfs/dbraw/zinc/46/06/76/1124460676.db2.gz WGWVTFYVNYDRBH-QZTJIDSGSA-N 2 2 348.491 2.203 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001568539595 1124600690 /nfs/dbraw/zinc/60/06/90/1124600690.db2.gz CREFADIICPHWFD-RYUDHWBXSA-N 2 2 345.274 2.454 10 0 EEAELP C[C@H](CC[NH2+]CC[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568645749 1124657974 /nfs/dbraw/zinc/65/79/74/1124657974.db2.gz KDTOZAKAIUIPMK-KGLIPLIRSA-N 2 2 330.432 2.088 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)c(OC)c1)C(=O)Cc1[nH]c[nH+]c1C ZINC001568794193 1124807436 /nfs/dbraw/zinc/80/74/36/1124807436.db2.gz OSKFXLPTIAGENX-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP CCN(CC[NH2+]Cc1cc(Cl)ccc1F)C(=O)Cn1cc[nH+]c1 ZINC001568801739 1124817299 /nfs/dbraw/zinc/81/72/99/1124817299.db2.gz ILEJBCWRVLVCNO-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001569065452 1125075813 /nfs/dbraw/zinc/07/58/13/1125075813.db2.gz LKPQGXPOHBDEPA-RDJZCZTQSA-N 2 2 330.476 2.430 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)Cc1c[nH+]cn1C ZINC001569257946 1125199732 /nfs/dbraw/zinc/19/97/32/1125199732.db2.gz NMRRCMRXHSMEQX-GOSISDBHSA-N 2 2 326.444 2.088 10 0 EEAELP C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174353411 231185992 /nfs/dbraw/zinc/18/59/92/231185992.db2.gz CLUHQQLUVZGXFQ-RHSMWYFYSA-N 2 2 327.432 2.327 10 0 EEAELP C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174353411 231185995 /nfs/dbraw/zinc/18/59/95/231185995.db2.gz CLUHQQLUVZGXFQ-RHSMWYFYSA-N 2 2 327.432 2.327 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000133247158 529805119 /nfs/dbraw/zinc/80/51/19/529805119.db2.gz HNTRGWOSJVNGIO-DLBZAZTESA-N 2 2 337.414 2.168 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000133247158 529805121 /nfs/dbraw/zinc/80/51/21/529805121.db2.gz HNTRGWOSJVNGIO-DLBZAZTESA-N 2 2 337.414 2.168 10 0 EEAELP CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cs1 ZINC000185223750 539605931 /nfs/dbraw/zinc/60/59/31/539605931.db2.gz NJUZTIXDGHKPLI-HNNXBMFYSA-N 2 2 333.461 2.377 10 0 EEAELP CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cs1 ZINC000185223750 539605936 /nfs/dbraw/zinc/60/59/36/539605936.db2.gz NJUZTIXDGHKPLI-HNNXBMFYSA-N 2 2 333.461 2.377 10 0 EEAELP C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000368516985 296040031 /nfs/dbraw/zinc/04/00/31/296040031.db2.gz WTRDOMXUKAULCQ-AEFFLSMTSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000193314308 240104419 /nfs/dbraw/zinc/10/44/19/240104419.db2.gz JPMNXQHTAPCCSM-STQMWFEESA-N 2 2 325.403 2.173 10 0 EEAELP C[C@H]([NH3+])CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000193314308 240104425 /nfs/dbraw/zinc/10/44/25/240104425.db2.gz JPMNXQHTAPCCSM-STQMWFEESA-N 2 2 325.403 2.173 10 0 EEAELP CN(C)c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc2n1 ZINC000422801049 240232404 /nfs/dbraw/zinc/23/24/04/240232404.db2.gz AXUVBFPLGNYNNI-ICSRJNTNSA-N 2 2 340.471 2.157 10 0 EEAELP FC(F)(F)c1cccc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422947834 240303068 /nfs/dbraw/zinc/30/30/68/240303068.db2.gz QLXLOPOPQZWORU-HZPDHXFCSA-N 2 2 344.377 2.441 10 0 EEAELP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)C[NH+]1CCOCC1 ZINC000153141851 224064846 /nfs/dbraw/zinc/06/48/46/224064846.db2.gz MPFQQRIIZFZWMQ-HOTGVXAUSA-N 2 2 347.459 2.262 10 0 EEAELP CCn1nccc1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328648806 258020919 /nfs/dbraw/zinc/02/09/19/258020919.db2.gz USVYIPBBCUXEFA-MAUKXSAKSA-N 2 2 330.480 2.151 10 0 EEAELP CCn1nccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328648806 258020920 /nfs/dbraw/zinc/02/09/20/258020920.db2.gz USVYIPBBCUXEFA-MAUKXSAKSA-N 2 2 330.480 2.151 10 0 EEAELP CCn1nccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328648806 258020921 /nfs/dbraw/zinc/02/09/21/258020921.db2.gz USVYIPBBCUXEFA-MAUKXSAKSA-N 2 2 330.480 2.151 10 0 EEAELP CCn1nccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328648806 258020922 /nfs/dbraw/zinc/02/09/22/258020922.db2.gz USVYIPBBCUXEFA-MAUKXSAKSA-N 2 2 330.480 2.151 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000073828233 292173125 /nfs/dbraw/zinc/17/31/25/292173125.db2.gz CMAZBCHHBABLPX-HZPDHXFCSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000073828233 292173126 /nfs/dbraw/zinc/17/31/26/292173126.db2.gz CMAZBCHHBABLPX-HZPDHXFCSA-N 2 2 335.496 2.459 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)ccc1OC(F)F ZINC000449393228 286221649 /nfs/dbraw/zinc/22/16/49/286221649.db2.gz LSVZQSTZNLOXRL-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)ccc1OC(F)F ZINC000449393228 286221650 /nfs/dbraw/zinc/22/16/50/286221650.db2.gz LSVZQSTZNLOXRL-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000453269839 286237977 /nfs/dbraw/zinc/23/79/77/286237977.db2.gz RWOQAQWQPSWMDH-PBHICJAKSA-N 2 2 349.475 2.151 10 0 EEAELP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000453269839 286237980 /nfs/dbraw/zinc/23/79/80/286237980.db2.gz RWOQAQWQPSWMDH-PBHICJAKSA-N 2 2 349.475 2.151 10 0 EEAELP Cc1ccccc1CCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374209527 154005627 /nfs/dbraw/zinc/00/56/27/154005627.db2.gz CADXGGUHIKFXCQ-UHFFFAOYSA-N 2 2 326.444 2.256 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)c2cc1C ZINC000374246850 154017223 /nfs/dbraw/zinc/01/72/23/154017223.db2.gz BWLFCCWNUCXVHJ-XKMFVZKXSA-N 2 2 343.471 2.107 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@H]4CCC[C@@H](C3)C4O)c2cc1C ZINC000374246850 154017229 /nfs/dbraw/zinc/01/72/29/154017229.db2.gz BWLFCCWNUCXVHJ-XKMFVZKXSA-N 2 2 343.471 2.107 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCC1CCC1 ZINC000374320365 154050999 /nfs/dbraw/zinc/05/09/99/154050999.db2.gz IGAFUEBCTHLPAC-MRXNPFEDSA-N 2 2 330.476 2.315 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)NCC1CCC1 ZINC000374320365 154051008 /nfs/dbraw/zinc/05/10/08/154051008.db2.gz IGAFUEBCTHLPAC-MRXNPFEDSA-N 2 2 330.476 2.315 10 0 EEAELP COCCN(C)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000248913441 160367927 /nfs/dbraw/zinc/36/79/27/160367927.db2.gz YUPRLLARSKPNCJ-SFHVURJKSA-N 2 2 332.492 2.082 10 0 EEAELP COCCN(C)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000248913441 160367929 /nfs/dbraw/zinc/36/79/29/160367929.db2.gz YUPRLLARSKPNCJ-SFHVURJKSA-N 2 2 332.492 2.082 10 0 EEAELP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261536599 160399277 /nfs/dbraw/zinc/39/92/77/160399277.db2.gz RRXBRAYDTIKNAS-QRVBRYPASA-N 2 2 327.472 2.252 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093148288 159230724 /nfs/dbraw/zinc/23/07/24/159230724.db2.gz QHSOYRSVGXGAEC-SFHVURJKSA-N 2 2 333.524 2.240 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093148288 159230727 /nfs/dbraw/zinc/23/07/27/159230727.db2.gz QHSOYRSVGXGAEC-SFHVURJKSA-N 2 2 333.524 2.240 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1)C2 ZINC000129514493 159531652 /nfs/dbraw/zinc/53/16/52/159531652.db2.gz NABYCSYZLAGSNZ-ZIAGYGMSSA-N 2 2 333.480 2.094 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)c1coc(C[NH3+])c1)c1cccc(F)c1 ZINC000188043152 160114179 /nfs/dbraw/zinc/11/41/79/160114179.db2.gz LZRLSWUGRAKVTQ-HNNXBMFYSA-N 2 2 328.347 2.130 10 0 EEAELP COc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1F ZINC000192950329 160177036 /nfs/dbraw/zinc/17/70/36/160177036.db2.gz FRCVBQNYLWWGDU-QGZVFWFLSA-N 2 2 335.467 2.436 10 0 EEAELP COc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1F ZINC000192950329 160177038 /nfs/dbraw/zinc/17/70/38/160177038.db2.gz FRCVBQNYLWWGDU-QGZVFWFLSA-N 2 2 335.467 2.436 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@@H]2C1 ZINC000193638147 160184728 /nfs/dbraw/zinc/18/47/28/160184728.db2.gz YTXDKVIHCMBQMO-OZVIIMIRSA-N 2 2 337.826 2.078 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@@H]2C1 ZINC000193638147 160184730 /nfs/dbraw/zinc/18/47/30/160184730.db2.gz YTXDKVIHCMBQMO-OZVIIMIRSA-N 2 2 337.826 2.078 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@@H]2C1 ZINC000193638147 160184732 /nfs/dbraw/zinc/18/47/32/160184732.db2.gz YTXDKVIHCMBQMO-OZVIIMIRSA-N 2 2 337.826 2.078 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)C[C@@H]2C1 ZINC000193638147 160184733 /nfs/dbraw/zinc/18/47/33/160184733.db2.gz YTXDKVIHCMBQMO-OZVIIMIRSA-N 2 2 337.826 2.078 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246606025 160286279 /nfs/dbraw/zinc/28/62/79/160286279.db2.gz KRHBQZWZWHEHJZ-SJORKVTESA-N 2 2 333.480 2.178 10 0 EEAELP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246606025 160286280 /nfs/dbraw/zinc/28/62/80/160286280.db2.gz KRHBQZWZWHEHJZ-SJORKVTESA-N 2 2 333.480 2.178 10 0 EEAELP C[N@@H+]1CCC[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000246986817 160304265 /nfs/dbraw/zinc/30/42/65/160304265.db2.gz UXUNZVCAMGYPSG-HOCLYGCPSA-N 2 2 347.488 2.327 10 0 EEAELP C[N@H+]1CCC[C@@H](CNC(=O)NCCn2cc[nH+]c2)[C@H]1c1cccs1 ZINC000246986817 160304266 /nfs/dbraw/zinc/30/42/66/160304266.db2.gz UXUNZVCAMGYPSG-HOCLYGCPSA-N 2 2 347.488 2.327 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000341801655 161014818 /nfs/dbraw/zinc/01/48/18/161014818.db2.gz XQZYSFNIOSMAPD-SFHVURJKSA-N 2 2 345.487 2.214 10 0 EEAELP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC(=O)N1Cc1ccccc1 ZINC000343559694 161146822 /nfs/dbraw/zinc/14/68/22/161146822.db2.gz YFPUPOVBBJAPDD-BUIAKZPTSA-N 2 2 327.472 2.391 10 0 EEAELP C[C@@H]1[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC(=O)N1Cc1ccccc1 ZINC000343559694 161146823 /nfs/dbraw/zinc/14/68/23/161146823.db2.gz YFPUPOVBBJAPDD-BUIAKZPTSA-N 2 2 327.472 2.391 10 0 EEAELP CC[N@H+](CCO)CC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000346522674 161378851 /nfs/dbraw/zinc/37/88/51/161378851.db2.gz DNAVQBDSTJDZNA-GFCCVEGCSA-N 2 2 347.272 2.423 10 0 EEAELP CC[N@@H+](CCO)CC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000346522674 161378852 /nfs/dbraw/zinc/37/88/52/161378852.db2.gz DNAVQBDSTJDZNA-GFCCVEGCSA-N 2 2 347.272 2.423 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000352422339 162130417 /nfs/dbraw/zinc/13/04/17/162130417.db2.gz IMWGDLPNCIRENV-UHFFFAOYSA-N 2 2 329.791 2.379 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000352478187 162150207 /nfs/dbraw/zinc/15/02/07/162150207.db2.gz UAPHWDSQOFLMAJ-HUUCEWRRSA-N 2 2 327.432 2.212 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000352478187 162150208 /nfs/dbraw/zinc/15/02/08/162150208.db2.gz UAPHWDSQOFLMAJ-HUUCEWRRSA-N 2 2 327.432 2.212 10 0 EEAELP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000355349881 163155616 /nfs/dbraw/zinc/15/56/16/163155616.db2.gz BJAMNPRGXWQAMR-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000355349881 163155618 /nfs/dbraw/zinc/15/56/18/163155618.db2.gz BJAMNPRGXWQAMR-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000355349881 163155620 /nfs/dbraw/zinc/15/56/20/163155620.db2.gz BJAMNPRGXWQAMR-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000355349881 163155623 /nfs/dbraw/zinc/15/56/23/163155623.db2.gz BJAMNPRGXWQAMR-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCOCC4(CC4)C3)c2cc1C ZINC000360089853 164230080 /nfs/dbraw/zinc/23/00/80/164230080.db2.gz UACRVXLPYCUUOL-INIZCTEOSA-N 2 2 329.444 2.126 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCOCC4(CC4)C3)c2cc1C ZINC000360089853 164230081 /nfs/dbraw/zinc/23/00/81/164230081.db2.gz UACRVXLPYCUUOL-INIZCTEOSA-N 2 2 329.444 2.126 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[NH+](C)CC2)cc1 ZINC000364052904 165012184 /nfs/dbraw/zinc/01/21/84/165012184.db2.gz FHCLIQFPBJVGKN-AWEZNQCLSA-N 2 2 327.432 2.199 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)C2 ZINC000369818981 166336980 /nfs/dbraw/zinc/33/69/80/166336980.db2.gz KQUVORORDXLGCL-ZFWWWQNUSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C2 ZINC000369818981 166336982 /nfs/dbraw/zinc/33/69/82/166336982.db2.gz KQUVORORDXLGCL-ZFWWWQNUSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1)CC2 ZINC000369818981 166336983 /nfs/dbraw/zinc/33/69/83/166336983.db2.gz KQUVORORDXLGCL-ZFWWWQNUSA-N 2 2 330.476 2.405 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)CC2 ZINC000369818981 166336985 /nfs/dbraw/zinc/33/69/85/166336985.db2.gz KQUVORORDXLGCL-ZFWWWQNUSA-N 2 2 330.476 2.405 10 0 EEAELP Cc1cccc(NC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374421187 167040409 /nfs/dbraw/zinc/04/04/09/167040409.db2.gz NNEYLOONAGUHLM-OKZBNKHCSA-N 2 2 331.460 2.117 10 0 EEAELP Cc1cccc(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374421187 167040410 /nfs/dbraw/zinc/04/04/10/167040410.db2.gz NNEYLOONAGUHLM-OKZBNKHCSA-N 2 2 331.460 2.117 10 0 EEAELP COCc1ccccc1CNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375954047 167233954 /nfs/dbraw/zinc/23/39/54/167233954.db2.gz KUASILOZJDKZKP-UHFFFAOYSA-N 2 2 342.443 2.052 10 0 EEAELP c1cn(-c2ccc(C[NH2+]Cc3cccc(N4CCOCC4)n3)cc2)c[nH+]1 ZINC000274859094 269065626 /nfs/dbraw/zinc/06/56/26/269065626.db2.gz ZEZXQUOLAKESJT-UHFFFAOYSA-N 2 2 349.438 2.394 10 0 EEAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCCO2 ZINC000453269104 295272171 /nfs/dbraw/zinc/27/21/71/295272171.db2.gz RAOWZEVQNNBAKG-QAPCUYQASA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCCO2 ZINC000453269104 295272173 /nfs/dbraw/zinc/27/21/73/295272173.db2.gz RAOWZEVQNNBAKG-QAPCUYQASA-N 2 2 334.460 2.345 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000313281712 311586475 /nfs/dbraw/zinc/58/64/75/311586475.db2.gz LTGWCAJSRLIZPX-ZDUSSCGKSA-N 2 2 344.242 2.299 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000414936861 313112791 /nfs/dbraw/zinc/11/27/91/313112791.db2.gz BVFQETLXZBBCBV-BXKDBHETSA-N 2 2 327.222 2.265 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000416878748 313345402 /nfs/dbraw/zinc/34/54/02/313345402.db2.gz DZEKHCAUNNHXAL-INIZCTEOSA-N 2 2 337.427 2.344 10 0 EEAELP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417063031 313410755 /nfs/dbraw/zinc/41/07/55/313410755.db2.gz DHSDPMANUFJADZ-ZWKOTPCHSA-N 2 2 341.459 2.248 10 0 EEAELP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527804761 317266483 /nfs/dbraw/zinc/26/64/83/317266483.db2.gz BCVBFHFMFSVGAJ-KRWDZBQOSA-N 2 2 337.489 2.165 10 0 EEAELP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527804761 317266484 /nfs/dbraw/zinc/26/64/84/317266484.db2.gz BCVBFHFMFSVGAJ-KRWDZBQOSA-N 2 2 337.489 2.165 10 0 EEAELP CO[C@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccc(F)cc1 ZINC000528448245 317389203 /nfs/dbraw/zinc/38/92/03/317389203.db2.gz JQKIFPZBNSZLOX-QGZVFWFLSA-N 2 2 330.407 2.434 10 0 EEAELP Cc1nnc([C@H]2CCC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)[nH]1 ZINC000544598527 318192820 /nfs/dbraw/zinc/19/28/20/318192820.db2.gz WOIWLWLVQXTKLI-HNNXBMFYSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1nnc([C@H]2CCC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)[nH]1 ZINC000544598527 318192823 /nfs/dbraw/zinc/19/28/23/318192823.db2.gz WOIWLWLVQXTKLI-HNNXBMFYSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)n1 ZINC000544598527 318192826 /nfs/dbraw/zinc/19/28/26/318192826.db2.gz WOIWLWLVQXTKLI-HNNXBMFYSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)n1 ZINC000544598527 318192829 /nfs/dbraw/zinc/19/28/29/318192829.db2.gz WOIWLWLVQXTKLI-HNNXBMFYSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1nc([C@H]2CCC[N@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)n[nH]1 ZINC000544598527 318192830 /nfs/dbraw/zinc/19/28/30/318192830.db2.gz WOIWLWLVQXTKLI-HNNXBMFYSA-N 2 2 337.431 2.382 10 0 EEAELP Cc1nc([C@H]2CCC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)n[nH]1 ZINC000544598527 318192833 /nfs/dbraw/zinc/19/28/33/318192833.db2.gz WOIWLWLVQXTKLI-HNNXBMFYSA-N 2 2 337.431 2.382 10 0 EEAELP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000547747352 318318749 /nfs/dbraw/zinc/31/87/49/318318749.db2.gz CUARQNOJLVTVOS-INIZCTEOSA-N 2 2 327.432 2.118 10 0 EEAELP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000547747352 318318752 /nfs/dbraw/zinc/31/87/52/318318752.db2.gz CUARQNOJLVTVOS-INIZCTEOSA-N 2 2 327.432 2.118 10 0 EEAELP Cc1nc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cs1 ZINC000564071548 319064993 /nfs/dbraw/zinc/06/49/93/319064993.db2.gz ZNBOATIJDLLAIL-AAEUAGOBSA-N 2 2 333.461 2.027 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000566416798 319284069 /nfs/dbraw/zinc/28/40/69/319284069.db2.gz OYHDMSYJXJKWDF-RISCZKNCSA-N 2 2 343.265 2.175 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000566416798 319284071 /nfs/dbraw/zinc/28/40/71/319284071.db2.gz OYHDMSYJXJKWDF-RISCZKNCSA-N 2 2 343.265 2.175 10 0 EEAELP Cc1cccn2cc(COc3ccc(C(=O)NCCC[NH3+])cc3)[nH+]c12 ZINC000572401390 319843299 /nfs/dbraw/zinc/84/32/99/319843299.db2.gz LDFVYIKLJUEFLB-UHFFFAOYSA-N 2 2 338.411 2.300 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000296172606 465104744 /nfs/dbraw/zinc/10/47/44/465104744.db2.gz AQKXDIUPFJJDIW-INIZCTEOSA-N 2 2 329.448 2.314 10 0 EEAELP O=S1(=O)CCC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868590 465270501 /nfs/dbraw/zinc/27/05/01/465270501.db2.gz HAEHKEQCTWDRNM-ZWKOTPCHSA-N 2 2 342.549 2.399 10 0 EEAELP O=S1(=O)CCC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868590 465270506 /nfs/dbraw/zinc/27/05/06/465270506.db2.gz HAEHKEQCTWDRNM-ZWKOTPCHSA-N 2 2 342.549 2.399 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000578881216 468273283 /nfs/dbraw/zinc/27/32/83/468273283.db2.gz QSUAEIYEUAKOQZ-OAHLLOKOSA-N 2 2 330.476 2.065 10 0 EEAELP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000046288364 462668724 /nfs/dbraw/zinc/66/87/24/462668724.db2.gz WUTMBJWASLCEGR-MRXNPFEDSA-N 2 2 347.507 2.459 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000046288364 462668731 /nfs/dbraw/zinc/66/87/31/462668731.db2.gz WUTMBJWASLCEGR-MRXNPFEDSA-N 2 2 347.507 2.459 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000089621549 462699007 /nfs/dbraw/zinc/69/90/07/462699007.db2.gz AFSRPMJIIPBTTE-OAHLLOKOSA-N 2 2 344.463 2.258 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116419112 462759639 /nfs/dbraw/zinc/75/96/39/462759639.db2.gz PEHRODGYMOYKCR-HNNXBMFYSA-N 2 2 335.496 2.313 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000118772498 462851389 /nfs/dbraw/zinc/85/13/89/462851389.db2.gz CLITVUKEHUFSCL-KRWDZBQOSA-N 2 2 330.476 2.430 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000118772498 462851392 /nfs/dbraw/zinc/85/13/92/462851392.db2.gz CLITVUKEHUFSCL-KRWDZBQOSA-N 2 2 330.476 2.430 10 0 EEAELP CC(C)[NH+]1CCN(C(=O)CCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000096102091 463173263 /nfs/dbraw/zinc/17/32/63/463173263.db2.gz UDFBKEIJJVVGDF-UHFFFAOYSA-N 2 2 330.476 2.167 10 0 EEAELP Cc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000105862849 463480214 /nfs/dbraw/zinc/48/02/14/463480214.db2.gz AJEZDVSITWAIJV-SFHVURJKSA-N 2 2 344.459 2.255 10 0 EEAELP Cc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000105862849 463480219 /nfs/dbraw/zinc/48/02/19/463480219.db2.gz AJEZDVSITWAIJV-SFHVURJKSA-N 2 2 344.459 2.255 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000073485606 463616618 /nfs/dbraw/zinc/61/66/18/463616618.db2.gz KCUVIUOSOPAVHK-KRWDZBQOSA-N 2 2 341.459 2.097 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000043860337 463659975 /nfs/dbraw/zinc/65/99/75/463659975.db2.gz JLQRZBKDXVLILK-HNNXBMFYSA-N 2 2 333.480 2.211 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000043860337 463659977 /nfs/dbraw/zinc/65/99/77/463659977.db2.gz JLQRZBKDXVLILK-HNNXBMFYSA-N 2 2 333.480 2.211 10 0 EEAELP C[C@@H]1C[NH+](Cc2cccc(NC(=O)Cn3cc[nH+]c3)c2)C[C@@H](C)O1 ZINC000073849395 463661612 /nfs/dbraw/zinc/66/16/12/463661612.db2.gz UTCUWISJHKXJEH-HUUCEWRRSA-N 2 2 328.416 2.131 10 0 EEAELP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000073906815 463669278 /nfs/dbraw/zinc/66/92/78/463669278.db2.gz WLUATASOQJEFTI-WBVHZDCISA-N 2 2 343.475 2.343 10 0 EEAELP C[NH+](C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000170828933 463715884 /nfs/dbraw/zinc/71/58/84/463715884.db2.gz UNHCKTHPKXIIJY-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP Cc1ccc2nc(C[N@H+](CC[NH3+])CCc3ccccc3)cc(=O)n2c1 ZINC000261730007 463841781 /nfs/dbraw/zinc/84/17/81/463841781.db2.gz JIXWBPQQBRCXLN-UHFFFAOYSA-N 2 2 336.439 2.006 10 0 EEAELP Cc1ccc2nc(C[N@@H+](CC[NH3+])CCc3ccccc3)cc(=O)n2c1 ZINC000261730007 463841784 /nfs/dbraw/zinc/84/17/84/463841784.db2.gz JIXWBPQQBRCXLN-UHFFFAOYSA-N 2 2 336.439 2.006 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)c2C)cc1 ZINC000261935244 463903918 /nfs/dbraw/zinc/90/39/18/463903918.db2.gz DDFLTFCCXOFDOH-BFUOFWGJSA-N 2 2 328.460 2.336 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)c2C)cc1 ZINC000261935244 463903920 /nfs/dbraw/zinc/90/39/20/463903920.db2.gz DDFLTFCCXOFDOH-BFUOFWGJSA-N 2 2 328.460 2.336 10 0 EEAELP C[C@@]1(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261989277 463919024 /nfs/dbraw/zinc/91/90/24/463919024.db2.gz KBONFHFKOOOKOD-GOSISDBHSA-N 2 2 335.879 2.026 10 0 EEAELP CSCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178875536 464000623 /nfs/dbraw/zinc/00/06/23/464000623.db2.gz SEFXXFCFUWGARY-HOTGVXAUSA-N 2 2 327.538 2.145 10 0 EEAELP CSCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178875536 464000629 /nfs/dbraw/zinc/00/06/29/464000629.db2.gz SEFXXFCFUWGARY-HOTGVXAUSA-N 2 2 327.538 2.145 10 0 EEAELP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000269687392 464058996 /nfs/dbraw/zinc/05/89/96/464058996.db2.gz NDFZMUBOVBVVFC-SJLPKXTDSA-N 2 2 347.528 2.157 10 0 EEAELP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000269687392 464059000 /nfs/dbraw/zinc/05/90/00/464059000.db2.gz NDFZMUBOVBVVFC-SJLPKXTDSA-N 2 2 347.528 2.157 10 0 EEAELP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000279216742 464066914 /nfs/dbraw/zinc/06/69/14/464066914.db2.gz OLVSXRFOVYRYJP-WMZOPIPTSA-N 2 2 344.503 2.103 10 0 EEAELP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@H+]1C ZINC000279216742 464066921 /nfs/dbraw/zinc/06/69/21/464066921.db2.gz OLVSXRFOVYRYJP-WMZOPIPTSA-N 2 2 344.503 2.103 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1C ZINC000279226894 464071323 /nfs/dbraw/zinc/07/13/23/464071323.db2.gz PQSVLFNMIWHUKX-RDJZCZTQSA-N 2 2 330.476 2.418 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1C ZINC000279226894 464071326 /nfs/dbraw/zinc/07/13/26/464071326.db2.gz PQSVLFNMIWHUKX-RDJZCZTQSA-N 2 2 330.476 2.418 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000179265085 464094054 /nfs/dbraw/zinc/09/40/54/464094054.db2.gz CYBUTZKKUOGDLP-ROUUACIJSA-N 2 2 341.459 2.360 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000179265085 464094061 /nfs/dbraw/zinc/09/40/61/464094061.db2.gz CYBUTZKKUOGDLP-ROUUACIJSA-N 2 2 341.459 2.360 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCC3(C2)CCCCC3)CC1 ZINC000179285303 464097879 /nfs/dbraw/zinc/09/78/79/464097879.db2.gz BPCFHLRNXDSKAH-UHFFFAOYSA-N 2 2 336.524 2.378 10 0 EEAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000174896540 464463859 /nfs/dbraw/zinc/46/38/59/464463859.db2.gz XDTRZNTVIUXMMJ-MRXNPFEDSA-N 2 2 328.460 2.430 10 0 EEAELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3nc4ccccc4o3)C2)CC1 ZINC000174896540 464463866 /nfs/dbraw/zinc/46/38/66/464463866.db2.gz XDTRZNTVIUXMMJ-MRXNPFEDSA-N 2 2 328.460 2.430 10 0 EEAELP COC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245740387 464511048 /nfs/dbraw/zinc/51/10/48/464511048.db2.gz VCRWTDJJGBRQMY-CGTJXYLNSA-N 2 2 339.524 2.065 10 0 EEAELP COC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245740387 464511052 /nfs/dbraw/zinc/51/10/52/464511052.db2.gz VCRWTDJJGBRQMY-CGTJXYLNSA-N 2 2 339.524 2.065 10 0 EEAELP CSCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245732241 464511146 /nfs/dbraw/zinc/51/11/46/464511146.db2.gz SEFXXFCFUWGARY-JKSUJKDBSA-N 2 2 327.538 2.145 10 0 EEAELP CSCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245732241 464511151 /nfs/dbraw/zinc/51/11/51/464511151.db2.gz SEFXXFCFUWGARY-JKSUJKDBSA-N 2 2 327.538 2.145 10 0 EEAELP CCOCC[N@@H+]1CCN(Cc2[nH+]ccc(OC)c2OC)C[C@@H]1CC ZINC000190524037 464667414 /nfs/dbraw/zinc/66/74/14/464667414.db2.gz VOITYAZKYLYRAI-HNNXBMFYSA-N 2 2 337.464 2.032 10 0 EEAELP CCOCC[N@H+]1CCN(Cc2[nH+]ccc(OC)c2OC)C[C@@H]1CC ZINC000190524037 464667416 /nfs/dbraw/zinc/66/74/16/464667416.db2.gz VOITYAZKYLYRAI-HNNXBMFYSA-N 2 2 337.464 2.032 10 0 EEAELP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000248115452 464730590 /nfs/dbraw/zinc/73/05/90/464730590.db2.gz ILFZPULPEXFMCK-KZNAEPCWSA-N 2 2 342.487 2.383 10 0 EEAELP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000248115452 464730596 /nfs/dbraw/zinc/73/05/96/464730596.db2.gz ILFZPULPEXFMCK-KZNAEPCWSA-N 2 2 342.487 2.383 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000177143594 464942121 /nfs/dbraw/zinc/94/21/21/464942121.db2.gz VFCXAYIPSZCBDN-MRXNPFEDSA-N 2 2 336.399 2.077 10 0 EEAELP CC(C)(CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000177352018 464992720 /nfs/dbraw/zinc/99/27/20/464992720.db2.gz BESWARYFXGBLSJ-MRXNPFEDSA-N 2 2 333.480 2.322 10 0 EEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000253358903 464993487 /nfs/dbraw/zinc/99/34/87/464993487.db2.gz WJQRSBACNAQANK-HUUCEWRRSA-N 2 2 349.475 2.495 10 0 EEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2ccc(OC)cc2OC)C1 ZINC000253358903 464993493 /nfs/dbraw/zinc/99/34/93/464993493.db2.gz WJQRSBACNAQANK-HUUCEWRRSA-N 2 2 349.475 2.495 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(COC)s2)C1 ZINC000342920326 465388854 /nfs/dbraw/zinc/38/88/54/465388854.db2.gz SUSMBHQLMCAFRQ-CQSZACIVSA-N 2 2 327.494 2.222 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(COC)s2)C1 ZINC000342920326 465388861 /nfs/dbraw/zinc/38/88/61/465388861.db2.gz SUSMBHQLMCAFRQ-CQSZACIVSA-N 2 2 327.494 2.222 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337523459 465413792 /nfs/dbraw/zinc/41/37/92/465413792.db2.gz ALDCEQTVNCDVLF-DZGCQCFKSA-N 2 2 347.850 2.414 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337523459 465413796 /nfs/dbraw/zinc/41/37/96/465413796.db2.gz ALDCEQTVNCDVLF-DZGCQCFKSA-N 2 2 347.850 2.414 10 0 EEAELP COc1ccc(OC)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371296493 465696232 /nfs/dbraw/zinc/69/62/32/465696232.db2.gz ZWXWOFIJIUEDKK-HHXXYDBFSA-N 2 2 334.460 2.387 10 0 EEAELP COc1ccc(OC)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371296493 465696238 /nfs/dbraw/zinc/69/62/38/465696238.db2.gz ZWXWOFIJIUEDKK-HHXXYDBFSA-N 2 2 334.460 2.387 10 0 EEAELP FC(F)O[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000569209677 468455523 /nfs/dbraw/zinc/45/55/23/468455523.db2.gz IHRMBDQIPMLQNI-INIZCTEOSA-N 2 2 326.387 2.332 10 0 EEAELP FC(F)O[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000569209677 468455528 /nfs/dbraw/zinc/45/55/28/468455528.db2.gz IHRMBDQIPMLQNI-INIZCTEOSA-N 2 2 326.387 2.332 10 0 EEAELP Cn1cnnc1C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346149477 465936975 /nfs/dbraw/zinc/93/69/75/465936975.db2.gz XDIQZSUOKUSWIP-UHFFFAOYSA-N 2 2 328.445 2.442 10 0 EEAELP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CCO1 ZINC000338392296 466085313 /nfs/dbraw/zinc/08/53/13/466085313.db2.gz UEXVJZAZXCKWNM-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)CCO1 ZINC000338392296 466085318 /nfs/dbraw/zinc/08/53/18/466085318.db2.gz UEXVJZAZXCKWNM-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP CCCn1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000349404676 466097119 /nfs/dbraw/zinc/09/71/19/466097119.db2.gz GKDJOHUEPHPMDC-DFNIBXOVSA-N 2 2 331.508 2.036 10 0 EEAELP CCCn1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000349404676 466097129 /nfs/dbraw/zinc/09/71/29/466097129.db2.gz GKDJOHUEPHPMDC-DFNIBXOVSA-N 2 2 331.508 2.036 10 0 EEAELP CCCn1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cn1 ZINC000349404676 466097138 /nfs/dbraw/zinc/09/71/38/466097138.db2.gz GKDJOHUEPHPMDC-DFNIBXOVSA-N 2 2 331.508 2.036 10 0 EEAELP CCCn1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cn1 ZINC000349404676 466097144 /nfs/dbraw/zinc/09/71/44/466097144.db2.gz GKDJOHUEPHPMDC-DFNIBXOVSA-N 2 2 331.508 2.036 10 0 EEAELP CC(C)[NH+](CCNC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C(C)C ZINC000363207368 466284791 /nfs/dbraw/zinc/28/47/91/466284791.db2.gz CGYVXZLKXDWFSH-UHFFFAOYSA-N 2 2 344.463 2.185 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)C2 ZINC000372455606 466394582 /nfs/dbraw/zinc/39/45/82/466394582.db2.gz PMWZJEXRNISRRD-PBHICJAKSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C(C)C)C2 ZINC000372455606 466394591 /nfs/dbraw/zinc/39/45/91/466394591.db2.gz PMWZJEXRNISRRD-PBHICJAKSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)CC2 ZINC000372455606 466394597 /nfs/dbraw/zinc/39/45/97/466394597.db2.gz PMWZJEXRNISRRD-PBHICJAKSA-N 2 2 332.492 2.437 10 0 EEAELP CCOC(=O)c1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)[nH]c1C ZINC000597248072 468495482 /nfs/dbraw/zinc/49/54/82/468495482.db2.gz LEWGDHDXERQNJV-INIZCTEOSA-N 2 2 337.464 2.042 10 0 EEAELP CCOC(=O)c1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)[nH]c1C ZINC000597248072 468495486 /nfs/dbraw/zinc/49/54/86/468495486.db2.gz LEWGDHDXERQNJV-INIZCTEOSA-N 2 2 337.464 2.042 10 0 EEAELP c1cc(C[NH2+][C@@H]2COC3(CCC3)C2)cc(OCC[NH+]2CCOCC2)c1 ZINC000657849687 471240584 /nfs/dbraw/zinc/24/05/84/471240584.db2.gz LZWRZEAZIYDGDO-SFHVURJKSA-N 2 2 346.471 2.199 10 0 EEAELP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000375366746 466837481 /nfs/dbraw/zinc/83/74/81/466837481.db2.gz CZHGKMPOQMBUSJ-CRAIPNDOSA-N 2 2 336.524 2.375 10 0 EEAELP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000375366746 466837485 /nfs/dbraw/zinc/83/74/85/466837485.db2.gz CZHGKMPOQMBUSJ-CRAIPNDOSA-N 2 2 336.524 2.375 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412032452 466972049 /nfs/dbraw/zinc/97/20/49/466972049.db2.gz CDSPNLPXJHXNFM-JKSUJKDBSA-N 2 2 330.476 2.239 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412032452 466972051 /nfs/dbraw/zinc/97/20/51/466972051.db2.gz CDSPNLPXJHXNFM-JKSUJKDBSA-N 2 2 330.476 2.239 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]([NH3+])C2CC2)c(C)c1 ZINC000417929282 466988912 /nfs/dbraw/zinc/98/89/12/466988912.db2.gz ILBUPPXOVICESO-MSOLQXFVSA-N 2 2 341.459 2.278 10 0 EEAELP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000418706608 467148158 /nfs/dbraw/zinc/14/81/58/467148158.db2.gz FOECCUKGOPRRLI-ZIAGYGMSSA-N 2 2 338.883 2.466 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000427498079 467161217 /nfs/dbraw/zinc/16/12/17/467161217.db2.gz CEOBNNFSPGISAD-SFHVURJKSA-N 2 2 347.890 2.441 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000427498079 467161220 /nfs/dbraw/zinc/16/12/20/467161220.db2.gz CEOBNNFSPGISAD-SFHVURJKSA-N 2 2 347.890 2.441 10 0 EEAELP O=C(NCC[NH+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427498079 467161226 /nfs/dbraw/zinc/16/12/26/467161226.db2.gz CEOBNNFSPGISAD-SFHVURJKSA-N 2 2 347.890 2.441 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(OC)c1 ZINC000414908060 467446846 /nfs/dbraw/zinc/44/68/46/467446846.db2.gz AYGGCQHVNOZCOR-WWGRRREGSA-N 2 2 335.448 2.009 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[NH+]1CCO ZINC000453261023 467472793 /nfs/dbraw/zinc/47/27/93/467472793.db2.gz JSSBSXKEOSFIDV-GIVPXCGWSA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[NH+]1CCO ZINC000453261023 467472796 /nfs/dbraw/zinc/47/27/96/467472796.db2.gz JSSBSXKEOSFIDV-GIVPXCGWSA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[N@@H+]1CCO ZINC000453261023 467472800 /nfs/dbraw/zinc/47/28/00/467472800.db2.gz JSSBSXKEOSFIDV-GIVPXCGWSA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[N@H+]1CCO ZINC000453261023 467472802 /nfs/dbraw/zinc/47/28/02/467472802.db2.gz JSSBSXKEOSFIDV-GIVPXCGWSA-N 2 2 345.531 2.333 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000405365729 467481521 /nfs/dbraw/zinc/48/15/21/467481521.db2.gz GEJWVPTXPSHRDJ-TZMCWYRMSA-N 2 2 336.823 2.186 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C[NH3+] ZINC000405365729 467481524 /nfs/dbraw/zinc/48/15/24/467481524.db2.gz GEJWVPTXPSHRDJ-TZMCWYRMSA-N 2 2 336.823 2.186 10 0 EEAELP C[C@@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[NH+](C)C ZINC000454267071 467580705 /nfs/dbraw/zinc/58/07/05/467580705.db2.gz JDUJYLPQTQRIOI-LBPRGKRZSA-N 2 2 325.482 2.201 10 0 EEAELP C[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)[N@H+]1C ZINC000454334643 467585813 /nfs/dbraw/zinc/58/58/13/467585813.db2.gz LPFXEDPTBTYNJQ-IYBDPMFKSA-N 2 2 341.459 2.165 10 0 EEAELP C[C@@H]1CN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H](C)[N@@H+]1C ZINC000454334643 467585814 /nfs/dbraw/zinc/58/58/14/467585814.db2.gz LPFXEDPTBTYNJQ-IYBDPMFKSA-N 2 2 341.459 2.165 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(C2CCCCC2)n1 ZINC000449389085 467635953 /nfs/dbraw/zinc/63/59/53/467635953.db2.gz BWTDGNFQOXCBOF-SFHVURJKSA-N 2 2 334.508 2.404 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(C2CCCCC2)n1 ZINC000449389085 467635954 /nfs/dbraw/zinc/63/59/54/467635954.db2.gz BWTDGNFQOXCBOF-SFHVURJKSA-N 2 2 334.508 2.404 10 0 EEAELP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449391017 467636333 /nfs/dbraw/zinc/63/63/33/467636333.db2.gz HJWLLDIZGNPSRU-WBVHZDCISA-N 2 2 334.460 2.173 10 0 EEAELP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449391017 467636335 /nfs/dbraw/zinc/63/63/35/467636335.db2.gz HJWLLDIZGNPSRU-WBVHZDCISA-N 2 2 334.460 2.173 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(-c2ccnn2C)c1 ZINC000449395144 467637199 /nfs/dbraw/zinc/63/71/99/467637199.db2.gz IBAYGPMRHBAQTO-SFHVURJKSA-N 2 2 342.487 2.332 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(-c2ccnn2C)c1 ZINC000449395144 467637208 /nfs/dbraw/zinc/63/72/08/467637208.db2.gz IBAYGPMRHBAQTO-SFHVURJKSA-N 2 2 342.487 2.332 10 0 EEAELP O[C@H](C[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1)CC1(O)CCC1 ZINC000528526514 467695034 /nfs/dbraw/zinc/69/50/34/467695034.db2.gz JMISLQZZEYRALI-INIZCTEOSA-N 2 2 343.471 2.483 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000530389021 467980970 /nfs/dbraw/zinc/98/09/70/467980970.db2.gz LYCCVIFTAYAZHE-ZWKOTPCHSA-N 2 2 340.427 2.146 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000530389021 467980973 /nfs/dbraw/zinc/98/09/73/467980973.db2.gz LYCCVIFTAYAZHE-ZWKOTPCHSA-N 2 2 340.427 2.146 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000567550934 468172653 /nfs/dbraw/zinc/17/26/53/468172653.db2.gz XBGVTDJRZURVER-GOSISDBHSA-N 2 2 326.444 2.662 10 0 EEAELP Cc1c[nH+]c(C)nc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000567550934 468172656 /nfs/dbraw/zinc/17/26/56/468172656.db2.gz XBGVTDJRZURVER-GOSISDBHSA-N 2 2 326.444 2.662 10 0 EEAELP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000519699795 468196260 /nfs/dbraw/zinc/19/62/60/468196260.db2.gz MXLAIDMDLPQFNW-OLZOCXBDSA-N 2 2 335.835 2.258 10 0 EEAELP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000519699795 468196265 /nfs/dbraw/zinc/19/62/65/468196265.db2.gz MXLAIDMDLPQFNW-OLZOCXBDSA-N 2 2 335.835 2.258 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cncc(Br)c1 ZINC000569824481 468550391 /nfs/dbraw/zinc/55/03/91/468550391.db2.gz BIISHFFCRPDOPW-WFASDCNBSA-N 2 2 342.281 2.342 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cncc(Br)c1 ZINC000569824481 468550394 /nfs/dbraw/zinc/55/03/94/468550394.db2.gz BIISHFFCRPDOPW-WFASDCNBSA-N 2 2 342.281 2.342 10 0 EEAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCc1ccc(Cl)cc1 ZINC000583263407 468670841 /nfs/dbraw/zinc/67/08/41/468670841.db2.gz GXEYNQFYENXMPS-SFHVURJKSA-N 2 2 335.879 2.074 10 0 EEAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCc1ccc(Cl)cc1 ZINC000583263407 468670845 /nfs/dbraw/zinc/67/08/45/468670845.db2.gz GXEYNQFYENXMPS-SFHVURJKSA-N 2 2 335.879 2.074 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cn2ccccc2n1 ZINC000572138586 468892804 /nfs/dbraw/zinc/89/28/04/468892804.db2.gz DGRMETYKJHUOBS-BMGDILEWSA-N 2 2 328.460 2.363 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cn2ccccc2n1 ZINC000572138589 468892847 /nfs/dbraw/zinc/89/28/47/468892847.db2.gz DGRMETYKJHUOBS-WBAXXEDZSA-N 2 2 328.460 2.363 10 0 EEAELP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000584709851 468918807 /nfs/dbraw/zinc/91/88/07/468918807.db2.gz NBWLNHAVHCGNRK-HOTGVXAUSA-N 2 2 345.491 2.108 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000584719277 468921310 /nfs/dbraw/zinc/92/13/10/468921310.db2.gz NAOQDSVOYLJXTM-WMLDXEAASA-N 2 2 341.377 2.107 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000584719277 468921316 /nfs/dbraw/zinc/92/13/16/468921316.db2.gz NAOQDSVOYLJXTM-WMLDXEAASA-N 2 2 341.377 2.107 10 0 EEAELP CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)s1 ZINC000598957515 469066772 /nfs/dbraw/zinc/06/67/72/469066772.db2.gz WJRSHGUGTUJFKL-ZDUSSCGKSA-N 2 2 340.489 2.250 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](c2ccncn2)C1 ZINC000588691531 469156392 /nfs/dbraw/zinc/15/63/92/469156392.db2.gz OTDKCXIADKGXAJ-OALUTQOASA-N 2 2 340.471 2.149 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](c2ccncn2)C1 ZINC000588691531 469156400 /nfs/dbraw/zinc/15/64/00/469156400.db2.gz OTDKCXIADKGXAJ-OALUTQOASA-N 2 2 340.471 2.149 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000588691531 469156404 /nfs/dbraw/zinc/15/64/04/469156404.db2.gz OTDKCXIADKGXAJ-OALUTQOASA-N 2 2 340.471 2.149 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000588691531 469156412 /nfs/dbraw/zinc/15/64/12/469156412.db2.gz OTDKCXIADKGXAJ-OALUTQOASA-N 2 2 340.471 2.149 10 0 EEAELP COC(=O)c1cnc(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cn1 ZINC000599386734 469238485 /nfs/dbraw/zinc/23/84/85/469238485.db2.gz GAJGTVHVYKNTPS-UHFFFAOYSA-N 2 2 342.399 2.010 10 0 EEAELP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(C)noc1C ZINC000602202401 469239817 /nfs/dbraw/zinc/23/98/17/469239817.db2.gz JFXQLOOSPKGTFD-WBVHZDCISA-N 2 2 348.491 2.070 10 0 EEAELP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(C)noc1C ZINC000602202401 469239820 /nfs/dbraw/zinc/23/98/20/469239820.db2.gz JFXQLOOSPKGTFD-WBVHZDCISA-N 2 2 348.491 2.070 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[C@@H]([NH+]3CCCC3)CC1)CC2 ZINC000625741464 469370927 /nfs/dbraw/zinc/37/09/27/469370927.db2.gz UDDZKOTXQKMJGD-IAGOWNOFSA-N 2 2 330.476 2.231 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[N@@H+](C3CCCC3)CC1)CC2 ZINC000625744096 469370986 /nfs/dbraw/zinc/37/09/86/469370986.db2.gz IUFUEWNAYSIEOL-INIZCTEOSA-N 2 2 330.476 2.231 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[N@H+](C3CCCC3)CC1)CC2 ZINC000625744096 469370990 /nfs/dbraw/zinc/37/09/90/469370990.db2.gz IUFUEWNAYSIEOL-INIZCTEOSA-N 2 2 330.476 2.231 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000625847947 469409498 /nfs/dbraw/zinc/40/94/98/469409498.db2.gz HHAHHKXBXBOIBY-QSJFSLAZSA-N 2 2 346.475 2.168 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000625847947 469409502 /nfs/dbraw/zinc/40/95/02/469409502.db2.gz HHAHHKXBXBOIBY-QSJFSLAZSA-N 2 2 346.475 2.168 10 0 EEAELP Cn1cc[nH+]c1[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C(F)(F)F ZINC000617007181 469569136 /nfs/dbraw/zinc/56/91/36/469569136.db2.gz NITRUFWSKNJELK-RYUDHWBXSA-N 2 2 346.397 2.445 10 0 EEAELP Cn1cc[nH+]c1[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C(F)(F)F ZINC000617007181 469569140 /nfs/dbraw/zinc/56/91/40/469569140.db2.gz NITRUFWSKNJELK-RYUDHWBXSA-N 2 2 346.397 2.445 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000629534048 469573950 /nfs/dbraw/zinc/57/39/50/469573950.db2.gz JYUFCFOSBKZNED-UONOGXRCSA-N 2 2 335.414 2.251 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000629534048 469573956 /nfs/dbraw/zinc/57/39/56/469573956.db2.gz JYUFCFOSBKZNED-UONOGXRCSA-N 2 2 335.414 2.251 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623526626 469684927 /nfs/dbraw/zinc/68/49/27/469684927.db2.gz KIGGKEKCNFJBHD-KRWDZBQOSA-N 3 2 334.508 2.375 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623526626 469684932 /nfs/dbraw/zinc/68/49/32/469684932.db2.gz KIGGKEKCNFJBHD-KRWDZBQOSA-N 3 2 334.508 2.375 10 0 EEAELP Cc1[nH+]cc(C[NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)n1C ZINC000623655323 469724796 /nfs/dbraw/zinc/72/47/96/469724796.db2.gz UVVFZRMUMSJPEL-QGZVFWFLSA-N 2 2 334.851 2.377 10 0 EEAELP Cc1nc2ccccc2c(C)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764144 469796144 /nfs/dbraw/zinc/79/61/44/469796144.db2.gz KRYKNGNCAOCYTG-UHFFFAOYSA-N 2 2 342.487 2.465 10 0 EEAELP Cc1nc2ccccc2c(C)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764144 469796149 /nfs/dbraw/zinc/79/61/49/469796149.db2.gz KRYKNGNCAOCYTG-UHFFFAOYSA-N 2 2 342.487 2.465 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1SCCc2sccc21 ZINC000617766179 469797185 /nfs/dbraw/zinc/79/71/85/469797185.db2.gz ARHBVIPQEFQWNO-OAHLLOKOSA-N 2 2 341.546 2.078 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1SCCc2sccc21 ZINC000617766179 469797187 /nfs/dbraw/zinc/79/71/87/469797187.db2.gz ARHBVIPQEFQWNO-OAHLLOKOSA-N 2 2 341.546 2.078 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624020144 469818476 /nfs/dbraw/zinc/81/84/76/469818476.db2.gz JBERXTUQIPUFFH-AKHDSKFASA-N 2 2 340.471 2.239 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624020144 469818479 /nfs/dbraw/zinc/81/84/79/469818479.db2.gz JBERXTUQIPUFFH-AKHDSKFASA-N 2 2 340.471 2.239 10 0 EEAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000624332970 469906461 /nfs/dbraw/zinc/90/64/61/469906461.db2.gz DUMHBVIXWQTWAG-QAPCUYQASA-N 2 2 333.476 2.183 10 0 EEAELP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000624332970 469906465 /nfs/dbraw/zinc/90/64/65/469906465.db2.gz DUMHBVIXWQTWAG-QAPCUYQASA-N 2 2 333.476 2.183 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000630818023 470002480 /nfs/dbraw/zinc/00/24/80/470002480.db2.gz NLDAKDBROQAZKZ-ZWKOTPCHSA-N 2 2 331.460 2.188 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000630818023 470002483 /nfs/dbraw/zinc/00/24/83/470002483.db2.gz NLDAKDBROQAZKZ-ZWKOTPCHSA-N 2 2 331.460 2.188 10 0 EEAELP COCCc1ncc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)s1 ZINC000631039984 470053817 /nfs/dbraw/zinc/05/38/17/470053817.db2.gz AFPNYQRFCBDRLX-UHFFFAOYSA-N 2 2 332.473 2.486 10 0 EEAELP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000631160004 470082687 /nfs/dbraw/zinc/08/26/87/470082687.db2.gz FRVOHMRWOIDCAN-RTBURBONSA-N 2 2 348.487 2.445 10 0 EEAELP Cc1ncc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000628272050 470083314 /nfs/dbraw/zinc/08/33/14/470083314.db2.gz AWXZAAJSLHDENY-IBGZPJMESA-N 2 2 340.471 2.375 10 0 EEAELP Cc1ncc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)o1 ZINC000628272050 470083316 /nfs/dbraw/zinc/08/33/16/470083316.db2.gz AWXZAAJSLHDENY-IBGZPJMESA-N 2 2 340.471 2.375 10 0 EEAELP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC000621743502 470103335 /nfs/dbraw/zinc/10/33/35/470103335.db2.gz SFEBYTQPGUDVCZ-UHFFFAOYSA-N 2 2 343.431 2.216 10 0 EEAELP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000621743502 470103337 /nfs/dbraw/zinc/10/33/37/470103337.db2.gz SFEBYTQPGUDVCZ-UHFFFAOYSA-N 2 2 343.431 2.216 10 0 EEAELP CC(C)c1nc2[nH]ccc2c(N2CCOC3(CC[NH+](C)CC3)C2)[nH+]1 ZINC000631328388 470122385 /nfs/dbraw/zinc/12/23/85/470122385.db2.gz KBMPZDZDRHTADI-UHFFFAOYSA-N 2 2 329.448 2.382 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833093 470186237 /nfs/dbraw/zinc/18/62/37/470186237.db2.gz SIOQFGBAASJGGF-JYJNAYRXSA-N 2 2 333.476 2.464 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833093 470186238 /nfs/dbraw/zinc/18/62/38/470186238.db2.gz SIOQFGBAASJGGF-JYJNAYRXSA-N 2 2 333.476 2.464 10 0 EEAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000631882139 470189045 /nfs/dbraw/zinc/18/90/45/470189045.db2.gz RPYIGHYQRQYYET-IEBWSBKVSA-N 2 2 338.455 2.358 10 0 EEAELP C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000631882139 470189046 /nfs/dbraw/zinc/18/90/46/470189046.db2.gz RPYIGHYQRQYYET-IEBWSBKVSA-N 2 2 338.455 2.358 10 0 EEAELP F[C@@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@H]1CC[NH2+]C1 ZINC000634554981 470266262 /nfs/dbraw/zinc/26/62/62/470266262.db2.gz VHUPOESNWZGOGC-JKSUJKDBSA-N 2 2 346.406 2.189 10 0 EEAELP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000632796505 470271655 /nfs/dbraw/zinc/27/16/55/470271655.db2.gz ZJLINPJDIUYRKI-DOTOQJQBSA-N 2 2 328.391 2.335 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636305596 470289722 /nfs/dbraw/zinc/28/97/22/470289722.db2.gz XMAWNEPNZNVODG-BZZMCLGOSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636305596 470289726 /nfs/dbraw/zinc/28/97/26/470289726.db2.gz XMAWNEPNZNVODG-BZZMCLGOSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636305596 470289730 /nfs/dbraw/zinc/28/97/30/470289730.db2.gz XMAWNEPNZNVODG-BZZMCLGOSA-N 2 2 338.455 2.398 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636305596 470289735 /nfs/dbraw/zinc/28/97/35/470289735.db2.gz XMAWNEPNZNVODG-BZZMCLGOSA-N 2 2 338.455 2.398 10 0 EEAELP c1cc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)n(-c2cc[nH+]cc2)n1 ZINC000639338525 470473520 /nfs/dbraw/zinc/47/35/20/470473520.db2.gz LKIDIQVVLXFZDI-LJQANCHMSA-N 2 2 335.411 2.453 10 0 EEAELP c1cc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)n(-c2cc[nH+]cc2)n1 ZINC000639338525 470473524 /nfs/dbraw/zinc/47/35/24/470473524.db2.gz LKIDIQVVLXFZDI-LJQANCHMSA-N 2 2 335.411 2.453 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641860206 470502565 /nfs/dbraw/zinc/50/25/65/470502565.db2.gz TYCHMOXBAXOVLV-BAABZTOOSA-N 2 2 336.867 2.243 10 0 EEAELP c1nc2n(n1)[C@H](C[N@@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)CC2 ZINC000639625765 470583443 /nfs/dbraw/zinc/58/34/43/470583443.db2.gz CJXUAHJTTFCDJR-HOCLYGCPSA-N 2 2 326.448 2.178 10 0 EEAELP c1nc2n(n1)[C@H](C[N@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)CC2 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/nfs/dbraw/zinc/01/20/57/471012057.db2.gz KLGBBDYNLSILNY-BFYDXBDKSA-N 2 2 347.528 2.485 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901179 471012061 /nfs/dbraw/zinc/01/20/61/471012061.db2.gz KLGBBDYNLSILNY-BFYDXBDKSA-N 2 2 347.528 2.485 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957014 471026838 /nfs/dbraw/zinc/02/68/38/471026838.db2.gz CDLFSHPPFZLAAL-KDOFPFPSSA-N 2 2 333.501 2.097 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000647957014 471026841 /nfs/dbraw/zinc/02/68/41/471026841.db2.gz CDLFSHPPFZLAAL-KDOFPFPSSA-N 2 2 333.501 2.097 10 0 EEAELP CCS(=O)(=O)C1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000657758226 471229584 /nfs/dbraw/zinc/22/95/84/471229584.db2.gz CCUCVISFJKVPSO-UHFFFAOYSA-N 2 2 328.522 2.340 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2cnccc2o1 ZINC000657875623 471243702 /nfs/dbraw/zinc/24/37/02/471243702.db2.gz HKDGHHTXXNACMC-AWEZNQCLSA-N 2 2 344.459 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/nfs/dbraw/zinc/38/36/88/471383688.db2.gz OYMLWYGMULFSTC-UHFFFAOYSA-N 2 2 328.460 2.233 10 0 EEAELP Cc1nc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000660538568 471383695 /nfs/dbraw/zinc/38/36/95/471383695.db2.gz OYMLWYGMULFSTC-UHFFFAOYSA-N 2 2 328.460 2.233 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](c1cccs1)C1CC1 ZINC000663538980 471417106 /nfs/dbraw/zinc/41/71/06/471417106.db2.gz MYIHZXOXPAGWLB-INIZCTEOSA-N 2 2 338.521 2.382 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](c1cccs1)C1CC1 ZINC000663538980 471417110 /nfs/dbraw/zinc/41/71/10/471417110.db2.gz MYIHZXOXPAGWLB-INIZCTEOSA-N 2 2 338.521 2.382 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[N@H+](C[C@@H](C)O)C[C@H]3C)c2cc1OC ZINC000663820710 471533255 /nfs/dbraw/zinc/53/32/55/471533255.db2.gz YKXOYCABWNHAGD-ZIAGYGMSSA-N 2 2 345.443 2.143 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)c2cc1OC ZINC000663820710 471533263 /nfs/dbraw/zinc/53/32/63/471533263.db2.gz YKXOYCABWNHAGD-ZIAGYGMSSA-N 2 2 345.443 2.143 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000669540553 471541361 /nfs/dbraw/zinc/54/13/61/471541361.db2.gz FJAIQDUYUZEZSM-SJLPKXTDSA-N 2 2 341.459 2.374 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669727890 471600567 /nfs/dbraw/zinc/60/05/67/471600567.db2.gz XBJXBEAEUHHRJP-NVXWUHKLSA-N 2 2 330.476 2.410 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669727890 471600570 /nfs/dbraw/zinc/60/05/70/471600570.db2.gz XBJXBEAEUHHRJP-NVXWUHKLSA-N 2 2 330.476 2.410 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CSc2ccccc21 ZINC000664167058 471662506 /nfs/dbraw/zinc/66/25/06/471662506.db2.gz XDPQRSNLNAJWOA-OAHLLOKOSA-N 2 2 336.505 2.016 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CSc2ccccc21 ZINC000664167058 471662512 /nfs/dbraw/zinc/66/25/12/471662512.db2.gz XDPQRSNLNAJWOA-OAHLLOKOSA-N 2 2 336.505 2.016 10 0 EEAELP CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667565785 471825306 /nfs/dbraw/zinc/82/53/06/471825306.db2.gz DTPSMXINADQBKS-MRXNPFEDSA-N 2 2 341.459 2.396 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000661824249 471895399 /nfs/dbraw/zinc/89/53/99/471895399.db2.gz AZGLYTHNBFAPMN-JCURWCKSSA-N 2 2 340.427 2.297 10 0 EEAELP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000662318595 472067988 /nfs/dbraw/zinc/06/79/88/472067988.db2.gz CGNCTJYQYQIKOX-IAGOWNOFSA-N 2 2 327.513 2.063 10 0 EEAELP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000662318595 472067992 /nfs/dbraw/zinc/06/79/92/472067992.db2.gz CGNCTJYQYQIKOX-IAGOWNOFSA-N 2 2 327.513 2.063 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C2)CC1 ZINC000668638711 472203292 /nfs/dbraw/zinc/20/32/92/472203292.db2.gz AXFGDYJFYWLBGV-GFCCVEGCSA-N 2 2 335.414 2.250 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)CC(F)(F)F)C2)CC1 ZINC000668638711 472203297 /nfs/dbraw/zinc/20/32/97/472203297.db2.gz AXFGDYJFYWLBGV-GFCCVEGCSA-N 2 2 335.414 2.250 10 0 EEAELP CCCCCc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)[nH]n1 ZINC000668690124 472228502 /nfs/dbraw/zinc/22/85/02/472228502.db2.gz SXHYOEHWCXQFJD-UHFFFAOYSA-N 2 2 349.523 2.240 10 0 EEAELP CCCCCc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)[nH]n1 ZINC000668690124 472228506 /nfs/dbraw/zinc/22/85/06/472228506.db2.gz SXHYOEHWCXQFJD-UHFFFAOYSA-N 2 2 349.523 2.240 10 0 EEAELP CCCCCc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n[nH]1 ZINC000668690124 472228509 /nfs/dbraw/zinc/22/85/09/472228509.db2.gz SXHYOEHWCXQFJD-UHFFFAOYSA-N 2 2 349.523 2.240 10 0 EEAELP CCCCCc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n[nH]1 ZINC000668690124 472228512 /nfs/dbraw/zinc/22/85/12/472228512.db2.gz SXHYOEHWCXQFJD-UHFFFAOYSA-N 2 2 349.523 2.240 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662800694 472257718 /nfs/dbraw/zinc/25/77/18/472257718.db2.gz WPPIGHZOVBPRBP-GFCCVEGCSA-N 2 2 348.472 2.449 10 0 EEAELP COc1cc(OC)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000668787230 472266923 /nfs/dbraw/zinc/26/69/23/472266923.db2.gz PVRMCFMJDORMEY-HNNXBMFYSA-N 2 2 340.439 2.386 10 0 EEAELP COc1cc(OC)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000668787230 472266930 /nfs/dbraw/zinc/26/69/30/472266930.db2.gz PVRMCFMJDORMEY-HNNXBMFYSA-N 2 2 340.439 2.386 10 0 EEAELP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000684372577 485861644 /nfs/dbraw/zinc/86/16/44/485861644.db2.gz QLIJRGBCYAWTGA-RTBURBONSA-N 2 2 348.487 2.445 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000676153974 486155507 /nfs/dbraw/zinc/15/55/07/486155507.db2.gz IQTJRNCTUDIOEH-ZIAGYGMSSA-N 2 2 344.450 2.032 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000676153974 486155511 /nfs/dbraw/zinc/15/55/11/486155511.db2.gz IQTJRNCTUDIOEH-ZIAGYGMSSA-N 2 2 344.450 2.032 10 0 EEAELP C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000682710027 486541256 /nfs/dbraw/zinc/54/12/56/486541256.db2.gz ZZPQFXHJVSSXFQ-YYIAUSFCSA-N 2 2 336.524 2.231 10 0 EEAELP C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)C1 ZINC000682710027 486541258 /nfs/dbraw/zinc/54/12/58/486541258.db2.gz ZZPQFXHJVSSXFQ-YYIAUSFCSA-N 2 2 336.524 2.231 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1(C)COC1 ZINC000625791257 490702039 /nfs/dbraw/zinc/70/20/39/490702039.db2.gz LGOTWCSHVUBPTO-CYBMUJFWSA-N 2 2 328.416 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1(C)COC1 ZINC000625791257 490702043 /nfs/dbraw/zinc/70/20/43/490702043.db2.gz LGOTWCSHVUBPTO-CYBMUJFWSA-N 2 2 328.416 2.372 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171898250 534680926 /nfs/dbraw/zinc/68/09/26/534680926.db2.gz LLUOETZGJGLGIW-INIZCTEOSA-N 2 2 341.459 2.224 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171898250 534680929 /nfs/dbraw/zinc/68/09/29/534680929.db2.gz LLUOETZGJGLGIW-INIZCTEOSA-N 2 2 341.459 2.224 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000174772105 527830717 /nfs/dbraw/zinc/83/07/17/527830717.db2.gz RVIYOSRQJQHJMD-PBHICJAKSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000174772105 527830720 /nfs/dbraw/zinc/83/07/20/527830720.db2.gz RVIYOSRQJQHJMD-PBHICJAKSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000174772105 527830726 /nfs/dbraw/zinc/83/07/26/527830726.db2.gz RVIYOSRQJQHJMD-PBHICJAKSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000174772105 527830734 /nfs/dbraw/zinc/83/07/34/527830734.db2.gz RVIYOSRQJQHJMD-PBHICJAKSA-N 2 2 349.475 2.304 10 0 EEAELP CCOCC[N@@H+]1CCN(c2cc(N3CCCC3)[nH+]cn2)C[C@@H]1CC ZINC000192305646 528755217 /nfs/dbraw/zinc/75/52/17/528755217.db2.gz FDJLEIYWGKDSDR-INIZCTEOSA-N 2 2 333.480 2.014 10 0 EEAELP CCOCC[N@H+]1CCN(c2cc(N3CCCC3)[nH+]cn2)C[C@@H]1CC ZINC000192305646 528755219 /nfs/dbraw/zinc/75/52/19/528755219.db2.gz FDJLEIYWGKDSDR-INIZCTEOSA-N 2 2 333.480 2.014 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)c3cccnc3)CC2)CC1 ZINC000422010181 535464525 /nfs/dbraw/zinc/46/45/25/535464525.db2.gz BPEGXVHBOIYAGZ-KRWDZBQOSA-N 2 2 344.503 2.204 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)c3cccnc3)CC2)CC1 ZINC000422010181 535464529 /nfs/dbraw/zinc/46/45/29/535464529.db2.gz BPEGXVHBOIYAGZ-KRWDZBQOSA-N 2 2 344.503 2.204 10 0 EEAELP COc1ccc([C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422743108 536929492 /nfs/dbraw/zinc/92/94/92/536929492.db2.gz HWYFIDYJJFNACK-SJORKVTESA-N 2 2 331.460 2.124 10 0 EEAELP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2C)cc1 ZINC000766250616 577515835 /nfs/dbraw/zinc/51/58/35/577515835.db2.gz RUGSWYVNJAXXJN-KRWDZBQOSA-N 2 2 328.416 2.303 10 0 EEAELP COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCn2cc[nH+]c2C)cc1 ZINC000766250616 577515836 /nfs/dbraw/zinc/51/58/36/577515836.db2.gz RUGSWYVNJAXXJN-KRWDZBQOSA-N 2 2 328.416 2.303 10 0 EEAELP C[NH+]1CCC([C@H]2CC[N@H+](Cn3ccc(Br)n3)C2)CC1 ZINC000767984991 577548717 /nfs/dbraw/zinc/54/87/17/577548717.db2.gz WYAGITVCMAPZDR-ZDUSSCGKSA-N 2 2 327.270 2.267 10 0 EEAELP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ccc(Br)n3)C2)CC1 ZINC000767984991 577548718 /nfs/dbraw/zinc/54/87/18/577548718.db2.gz WYAGITVCMAPZDR-ZDUSSCGKSA-N 2 2 327.270 2.267 10 0 EEAELP CC(C)Oc1ccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000767463849 577537511 /nfs/dbraw/zinc/53/75/11/577537511.db2.gz XOWPMSVYHJBVSX-IBGZPJMESA-N 2 2 345.487 2.388 10 0 EEAELP CC(C)Oc1ccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000767463849 577537512 /nfs/dbraw/zinc/53/75/12/577537512.db2.gz XOWPMSVYHJBVSX-IBGZPJMESA-N 2 2 345.487 2.388 10 0 EEAELP Cc1ccc([C@H](C)C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000756124205 577838851 /nfs/dbraw/zinc/83/88/51/577838851.db2.gz KLOQMXNIIADXOV-XNHLSEOASA-N 2 2 345.487 2.461 10 0 EEAELP Cc1ccc([C@H](C)C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000756124205 577838852 /nfs/dbraw/zinc/83/88/52/577838852.db2.gz KLOQMXNIIADXOV-XNHLSEOASA-N 2 2 345.487 2.461 10 0 EEAELP CN(C(=O)NCC[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000924341618 676103194 /nfs/dbraw/zinc/10/31/94/676103194.db2.gz NHNKGTAQZNWMGJ-QRQLOZEOSA-N 2 2 348.535 2.233 10 0 EEAELP CN(C(=O)NCC[C@@H]1C[C@H]1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000924341618 676103195 /nfs/dbraw/zinc/10/31/95/676103195.db2.gz NHNKGTAQZNWMGJ-QRQLOZEOSA-N 2 2 348.535 2.233 10 0 EEAELP CC(C)Oc1cc(F)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926087435 676222390 /nfs/dbraw/zinc/22/23/90/676222390.db2.gz LTAFLLKOFAVISN-UHFFFAOYSA-N 2 2 338.427 2.158 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(CC(F)(F)F)c2)CC1 ZINC000926045073 675849961 /nfs/dbraw/zinc/84/99/61/675849961.db2.gz XGVQLGSTQVOMTK-UHFFFAOYSA-N 2 2 344.381 2.336 10 0 EEAELP C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894538181 682960830 /nfs/dbraw/zinc/96/08/30/682960830.db2.gz IOZSBMWSVJEZFA-GXFFZTMASA-N 2 2 328.359 2.025 10 0 EEAELP C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894538181 682960832 /nfs/dbraw/zinc/96/08/32/682960832.db2.gz IOZSBMWSVJEZFA-GXFFZTMASA-N 2 2 328.359 2.025 10 0 EEAELP C[NH+](C)Cc1cc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)ccc1Cl ZINC000897652750 691729604 /nfs/dbraw/zinc/72/96/04/691729604.db2.gz HLIQBBSDVCPKSY-OAHLLOKOSA-N 2 2 337.851 2.061 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(OC)no3)cn2)CC1 ZINC000924688765 693166182 /nfs/dbraw/zinc/16/61/82/693166182.db2.gz DTVHTJVNSPWQTO-CQSZACIVSA-N 2 2 345.447 2.071 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000898488047 693344509 /nfs/dbraw/zinc/34/45/09/693344509.db2.gz CMHJBVJYQDBNTJ-SFHVURJKSA-N 2 2 333.451 2.446 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCF)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000898488047 693344514 /nfs/dbraw/zinc/34/45/14/693344514.db2.gz CMHJBVJYQDBNTJ-SFHVURJKSA-N 2 2 333.451 2.446 10 0 EEAELP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001485509609 1191820267 /nfs/dbraw/zinc/82/02/67/1191820267.db2.gz CYYHRVUWGOKAPB-SWJNODNISA-N 2 2 330.476 2.238 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001485619741 1191859782 /nfs/dbraw/zinc/85/97/82/1191859782.db2.gz SNANBHPSDNDGEP-YYQUZTFQSA-N 2 2 342.418 2.147 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001485619741 1191859783 /nfs/dbraw/zinc/85/97/83/1191859783.db2.gz SNANBHPSDNDGEP-YYQUZTFQSA-N 2 2 342.418 2.147 10 0 EEAELP CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266519977 1176721824 /nfs/dbraw/zinc/72/18/24/1176721824.db2.gz COHCBBSKRPXSNH-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP CCCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266519977 1176721831 /nfs/dbraw/zinc/72/18/31/1176721831.db2.gz COHCBBSKRPXSNH-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP CCOCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691050695 1177444384 /nfs/dbraw/zinc/44/43/84/1177444384.db2.gz NPQJRPNJKGPIQE-SFHVURJKSA-N 2 2 342.443 2.055 10 0 EEAELP CCOCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001691050695 1177444388 /nfs/dbraw/zinc/44/43/88/1177444388.db2.gz NPQJRPNJKGPIQE-SFHVURJKSA-N 2 2 342.443 2.055 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH2+]Cc1ccccn1 ZINC001691306583 1177875571 /nfs/dbraw/zinc/87/55/71/1177875571.db2.gz VPVIJQCMFVVJJY-RDJZCZTQSA-N 2 2 341.459 2.154 10 0 EEAELP CCCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267048717 1178149233 /nfs/dbraw/zinc/14/92/33/1178149233.db2.gz ZHSJDXDAAAIIKR-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001480922984 1178454028 /nfs/dbraw/zinc/45/40/28/1178454028.db2.gz YCRDJWUQQRKVHZ-KBXCAEBGSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001480922984 1178454032 /nfs/dbraw/zinc/45/40/32/1178454032.db2.gz YCRDJWUQQRKVHZ-KBXCAEBGSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001480922984 1178454035 /nfs/dbraw/zinc/45/40/35/1178454035.db2.gz YCRDJWUQQRKVHZ-KBXCAEBGSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001480922984 1178454038 /nfs/dbraw/zinc/45/40/38/1178454038.db2.gz YCRDJWUQQRKVHZ-KBXCAEBGSA-N 2 2 326.444 2.324 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)CCc3ccns3)ccn12 ZINC001267195770 1178472393 /nfs/dbraw/zinc/47/23/93/1178472393.db2.gz MXTJMIVOGCZPTM-UHFFFAOYSA-N 2 2 343.456 2.004 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)CCc3ccns3)ccn12 ZINC001267195770 1178472398 /nfs/dbraw/zinc/47/23/98/1178472398.db2.gz MXTJMIVOGCZPTM-UHFFFAOYSA-N 2 2 343.456 2.004 10 0 EEAELP C[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267204901 1178493027 /nfs/dbraw/zinc/49/30/27/1178493027.db2.gz PIKAROZWJXFDTG-ZDUSSCGKSA-N 2 2 346.397 2.226 10 0 EEAELP C[N@@H+](CCCCC(F)(F)F)CCNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001267204901 1178493031 /nfs/dbraw/zinc/49/30/31/1178493031.db2.gz PIKAROZWJXFDTG-ZDUSSCGKSA-N 2 2 346.397 2.226 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001267283385 1178676966 /nfs/dbraw/zinc/67/69/66/1178676966.db2.gz XAYWNLFIWIDVFO-OAHLLOKOSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001267283385 1178676970 /nfs/dbraw/zinc/67/69/70/1178676970.db2.gz XAYWNLFIWIDVFO-OAHLLOKOSA-N 2 2 347.850 2.021 10 0 EEAELP C[C@H]([NH2+]CCCF)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267489454 1179160422 /nfs/dbraw/zinc/16/04/22/1179160422.db2.gz RXGJJYNAPMQUSS-GOEBONIOSA-N 2 2 336.455 2.022 10 0 EEAELP CCc1ccc(CC[N@@H+]2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001481126097 1179834401 /nfs/dbraw/zinc/83/44/01/1179834401.db2.gz MJQIHNUNGAVXNU-IBGZPJMESA-N 2 2 340.471 2.126 10 0 EEAELP CCc1ccc(CC[N@H+]2CC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001481126097 1179834409 /nfs/dbraw/zinc/83/44/09/1179834409.db2.gz MJQIHNUNGAVXNU-IBGZPJMESA-N 2 2 340.471 2.126 10 0 EEAELP Cc1ncc(C[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001481201096 1180095190 /nfs/dbraw/zinc/09/51/90/1180095190.db2.gz VQAAWTSXFXADRZ-SFHVURJKSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1ncc(C[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001481201096 1180095197 /nfs/dbraw/zinc/09/51/97/1180095197.db2.gz VQAAWTSXFXADRZ-SFHVURJKSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)c(C)s1 ZINC001481247248 1180446192 /nfs/dbraw/zinc/44/61/92/1180446192.db2.gz BWBHJEHCDPBPEF-HNNXBMFYSA-N 2 2 346.500 2.372 10 0 EEAELP CN(CC[NH2+]CC1CCC(F)(F)CC1)C(=O)CCn1cc[nH+]c1 ZINC001481264067 1180512222 /nfs/dbraw/zinc/51/22/22/1180512222.db2.gz KMDXEMRQMKCRCI-UHFFFAOYSA-N 2 2 328.407 2.147 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)cc1 ZINC001267864604 1180651321 /nfs/dbraw/zinc/65/13/21/1180651321.db2.gz HFCAJLFYLCMRKN-FQEVSTJZSA-N 2 2 340.471 2.309 10 0 EEAELP O=C(NCc1ccc(C[NH2+]CCF)cc1)c1cccc2[nH+]ccn21 ZINC001267937571 1180790868 /nfs/dbraw/zinc/79/08/68/1180790868.db2.gz ZGCVZDUANDAQOV-UHFFFAOYSA-N 2 2 326.375 2.323 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001481400128 1181211752 /nfs/dbraw/zinc/21/17/52/1181211752.db2.gz DHUSRKUQHDKIHP-SJORKVTESA-N 2 2 330.476 2.168 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001481400128 1181211758 /nfs/dbraw/zinc/21/17/58/1181211758.db2.gz DHUSRKUQHDKIHP-SJORKVTESA-N 2 2 330.476 2.168 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001268153518 1181846632 /nfs/dbraw/zinc/84/66/32/1181846632.db2.gz KEXIBSYMNXILLP-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001691499929 1182056196 /nfs/dbraw/zinc/05/61/96/1182056196.db2.gz FTLDDUZKRTYHGB-OAHLLOKOSA-N 2 2 336.480 2.050 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001481673963 1182192912 /nfs/dbraw/zinc/19/29/12/1182192912.db2.gz GNUPBRFRUKBAEL-JEZUCGJFSA-N 2 2 330.476 2.384 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1[nH+]ccn1C ZINC001481673963 1182192914 /nfs/dbraw/zinc/19/29/14/1182192914.db2.gz GNUPBRFRUKBAEL-JEZUCGJFSA-N 2 2 330.476 2.384 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cccc(F)c1Cl ZINC001482155353 1183473116 /nfs/dbraw/zinc/47/31/16/1183473116.db2.gz YETZXBZSVYAEID-LLVKDONJSA-N 2 2 338.814 2.287 10 0 EEAELP CCCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001268742137 1183658989 /nfs/dbraw/zinc/65/89/89/1183658989.db2.gz DILGFIZAMVGKSY-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001268742137 1183658992 /nfs/dbraw/zinc/65/89/92/1183658992.db2.gz DILGFIZAMVGKSY-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001268742137 1183658995 /nfs/dbraw/zinc/65/89/95/1183658995.db2.gz DILGFIZAMVGKSY-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001268742137 1183658998 /nfs/dbraw/zinc/65/89/98/1183658998.db2.gz DILGFIZAMVGKSY-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP CN(CCC[NH2+][C@H]1CCCc2ccccc21)C(=O)Cc1[nH]cc[nH+]1 ZINC001268894192 1183797731 /nfs/dbraw/zinc/79/77/31/1183797731.db2.gz SIFYXYGMOURLCE-KRWDZBQOSA-N 2 2 326.444 2.468 10 0 EEAELP CN(CCC[NH2+]CCc1ccc(Cl)cc1)C(=O)Cc1c[nH+]cn1C ZINC001268915781 1183824840 /nfs/dbraw/zinc/82/48/40/1183824840.db2.gz RERLKBMCVALBKY-UHFFFAOYSA-N 2 2 348.878 2.297 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001269051861 1183920767 /nfs/dbraw/zinc/92/07/67/1183920767.db2.gz LUPWHZTZTWTORJ-KRWDZBQOSA-N 2 2 337.427 2.145 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001269051861 1183920769 /nfs/dbraw/zinc/92/07/69/1183920769.db2.gz LUPWHZTZTWTORJ-KRWDZBQOSA-N 2 2 337.427 2.145 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)sn1 ZINC001269783553 1184618783 /nfs/dbraw/zinc/61/87/83/1184618783.db2.gz DAHDDZHZKPCRNL-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001269791132 1184624400 /nfs/dbraw/zinc/62/44/00/1184624400.db2.gz NDTFHGMEGSXNIG-CVEARBPZSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001270579801 1185183597 /nfs/dbraw/zinc/18/35/97/1185183597.db2.gz XIDDZUAHSOOFIF-AJHXJQRKSA-N 2 2 326.444 2.316 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001280308192 1185519690 /nfs/dbraw/zinc/51/96/90/1185519690.db2.gz QSTWFMGRSTURJW-ALFJJAPYSA-N 2 2 331.247 2.030 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001482463202 1185934684 /nfs/dbraw/zinc/93/46/84/1185934684.db2.gz RONDHJSMSRQHNF-SJORKVTESA-N 2 2 348.491 2.191 10 0 EEAELP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001271648723 1186353497 /nfs/dbraw/zinc/35/34/97/1186353497.db2.gz LWIZNFHIJRGDSX-CVEARBPZSA-N 2 2 346.500 2.262 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001271647625 1186353865 /nfs/dbraw/zinc/35/38/65/1186353865.db2.gz FXAFYKTZSPDZLR-IRXDYDNUSA-N 2 2 334.508 2.473 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483027559 1188035502 /nfs/dbraw/zinc/03/55/02/1188035502.db2.gz ADYIRXFHPPJHCW-BDUNBXCCSA-N 2 2 338.455 2.216 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccccc21 ZINC001483038570 1188083630 /nfs/dbraw/zinc/08/36/30/1188083630.db2.gz VOJCOFRPJHJBFF-SHCNBLLESA-N 2 2 338.455 2.302 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001691625322 1188400518 /nfs/dbraw/zinc/40/05/18/1188400518.db2.gz GCMWHQOQXCQEMN-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1csc(Cl)n1)[NH+](C)C ZINC001483086300 1188449769 /nfs/dbraw/zinc/44/97/69/1188449769.db2.gz JJFLQUQRVGCSFV-CFHLNLSMSA-N 2 2 344.912 2.145 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483144467 1188752655 /nfs/dbraw/zinc/75/26/55/1188752655.db2.gz PDWMBZPUCZJISY-OCCSQVGLSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC001409418377 1189647135 /nfs/dbraw/zinc/64/71/35/1189647135.db2.gz INBDJVQHXCSJPF-JKSUJKDBSA-N 2 2 328.460 2.262 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1ccns1 ZINC001409565938 1190042239 /nfs/dbraw/zinc/04/22/39/1190042239.db2.gz FEZIGVDQZGUAKT-KGLIPLIRSA-N 2 2 349.504 2.490 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccns1 ZINC001409565938 1190042242 /nfs/dbraw/zinc/04/22/42/1190042242.db2.gz FEZIGVDQZGUAKT-KGLIPLIRSA-N 2 2 349.504 2.490 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCC(F)(F)F)CC2 ZINC001409632987 1190133115 /nfs/dbraw/zinc/13/31/15/1190133115.db2.gz SRUINDTZQIJOCJ-AAEUAGOBSA-N 2 2 346.397 2.143 10 0 EEAELP 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1190473173 /nfs/dbraw/zinc/47/31/73/1190473173.db2.gz FAEOTJMNPNQPNP-WMZOPIPTSA-N 2 2 340.471 2.440 10 0 EEAELP C[C@@H](C[N@@H+](C)CC[C@@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001483426554 1190473176 /nfs/dbraw/zinc/47/31/76/1190473176.db2.gz FAEOTJMNPNQPNP-WMZOPIPTSA-N 2 2 340.471 2.440 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001483473467 1190494922 /nfs/dbraw/zinc/49/49/22/1190494922.db2.gz GGOMGCDIAKYOLY-UHFFFAOYSA-N 2 2 342.434 2.410 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483571580 1190561691 /nfs/dbraw/zinc/56/16/91/1190561691.db2.gz RISREECGBYEQOX-MJGOQNOKSA-N 2 2 342.487 2.430 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C[NH2+]CCn2cccn2)C2CC2)c(C)[nH+]1 ZINC001483577862 1190566787 /nfs/dbraw/zinc/56/67/87/1190566787.db2.gz UENBQTUUDOYMGE-KRWDZBQOSA-N 2 2 341.459 2.002 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001272457295 1190832328 /nfs/dbraw/zinc/83/23/28/1190832328.db2.gz PTNLCRMCOPWHKQ-QGZVFWFLSA-N 2 2 326.444 2.371 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001272457295 1190832329 /nfs/dbraw/zinc/83/23/29/1190832329.db2.gz PTNLCRMCOPWHKQ-QGZVFWFLSA-N 2 2 326.444 2.371 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]Cc3cscn3)CC2)C1 ZINC001483783285 1191036078 /nfs/dbraw/zinc/03/60/78/1191036078.db2.gz KVUXZBGFFWUZGO-ZFWWWQNUSA-N 2 2 336.505 2.002 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001483803020 1191044288 /nfs/dbraw/zinc/04/42/88/1191044288.db2.gz YMVTWCWOHUFBDI-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001483803020 1191044290 /nfs/dbraw/zinc/04/42/90/1191044290.db2.gz YMVTWCWOHUFBDI-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1C[NH+](CCC2CCCCC2)C1 ZINC001483890541 1191110934 /nfs/dbraw/zinc/11/09/34/1191110934.db2.gz WLHGTCCZNZTOOT-UHFFFAOYSA-N 2 2 332.492 2.466 10 0 EEAELP COCCCC[NH2+]C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001484370935 1191319399 /nfs/dbraw/zinc/31/93/99/1191319399.db2.gz HONOULMWNJBNDI-HOTGVXAUSA-N 2 2 344.459 2.059 10 0 EEAELP CCC(CC)C[NH2+]C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C ZINC001484374371 1191322160 /nfs/dbraw/zinc/32/21/60/1191322160.db2.gz UPHUWSLNJYOKDX-DOTOQJQBSA-N 2 2 334.508 2.473 10 0 EEAELP CCCCC[N@@H+]1CCC[C@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484437906 1191349057 /nfs/dbraw/zinc/34/90/57/1191349057.db2.gz KOMWLTYUWBJVLQ-IBGZPJMESA-N 2 2 344.459 2.310 10 0 EEAELP CCCCC[N@H+]1CCC[C@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484437906 1191349059 /nfs/dbraw/zinc/34/90/59/1191349059.db2.gz KOMWLTYUWBJVLQ-IBGZPJMESA-N 2 2 344.459 2.310 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001484446064 1191359919 /nfs/dbraw/zinc/35/99/19/1191359919.db2.gz GJYWJACYRBJWND-GFXSFYIYSA-N 2 2 348.491 2.134 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001484446064 1191359923 /nfs/dbraw/zinc/35/99/23/1191359923.db2.gz GJYWJACYRBJWND-GFXSFYIYSA-N 2 2 348.491 2.134 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001484467191 1191371525 /nfs/dbraw/zinc/37/15/25/1191371525.db2.gz CVEFKBGCAOYNOX-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001484467191 1191371528 /nfs/dbraw/zinc/37/15/28/1191371528.db2.gz CVEFKBGCAOYNOX-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CCOC2CCC2)C1)c1c[nH+]c[nH]1 ZINC001484546962 1191408517 /nfs/dbraw/zinc/40/85/17/1191408517.db2.gz LPESTRSEYCMCAA-OAHLLOKOSA-N 2 2 348.491 2.085 10 0 EEAELP CCC(CC)C[N@@H+]1CCOC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001484602422 1191435037 /nfs/dbraw/zinc/43/50/37/1191435037.db2.gz ARYDLIGQVPSMGZ-NVXWUHKLSA-N 2 2 336.480 2.087 10 0 EEAELP CCC(CC)C[N@H+]1CCOC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001484602422 1191435039 /nfs/dbraw/zinc/43/50/39/1191435039.db2.gz ARYDLIGQVPSMGZ-NVXWUHKLSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484772119 1191514699 /nfs/dbraw/zinc/51/46/99/1191514699.db2.gz LXQLIFFPIKBWGB-DLBZAZTESA-N 2 2 348.491 2.082 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484772119 1191514701 /nfs/dbraw/zinc/51/47/01/1191514701.db2.gz LXQLIFFPIKBWGB-DLBZAZTESA-N 2 2 348.491 2.082 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CCC2(C[NH+](CCC(C)(C)C)C2)O1 ZINC001484790526 1191527155 /nfs/dbraw/zinc/52/71/55/1191527155.db2.gz MJCPLAUPUIWUFW-HNNXBMFYSA-N 2 2 348.491 2.046 10 0 EEAELP CC1([NH2+]C/C=C\Cl)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484919930 1191575602 /nfs/dbraw/zinc/57/56/02/1191575602.db2.gz RWZXLWLPTCGADH-KIHSYFHESA-N 2 2 336.867 2.169 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccsc1 ZINC001485165571 1191676423 /nfs/dbraw/zinc/67/64/23/1191676423.db2.gz YERBZSWPRDECQK-OLZOCXBDSA-N 2 2 333.457 2.377 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001485216006 1191688775 /nfs/dbraw/zinc/68/87/75/1191688775.db2.gz LESDQHZHHYXDSV-KBPBESRZSA-N 2 2 343.475 2.010 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC[C@H]1CCCC1(F)F ZINC001485395456 1191772304 /nfs/dbraw/zinc/77/23/04/1191772304.db2.gz MPUQULKMGSUHPK-ZIAGYGMSSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC001485395456 1191772306 /nfs/dbraw/zinc/77/23/06/1191772306.db2.gz MPUQULKMGSUHPK-ZIAGYGMSSA-N 2 2 328.407 2.145 10 0 EEAELP CC[C@H](F)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485486851 1191809721 /nfs/dbraw/zinc/80/97/21/1191809721.db2.gz YFYMMPIKLSEKFC-DOTOQJQBSA-N 2 2 338.471 2.462 10 0 EEAELP CC[C@H](F)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485486851 1191809722 /nfs/dbraw/zinc/80/97/22/1191809722.db2.gz YFYMMPIKLSEKFC-DOTOQJQBSA-N 2 2 338.471 2.462 10 0 EEAELP CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001486199611 1193737883 /nfs/dbraw/zinc/73/78/83/1193737883.db2.gz CAWBQGOKBHMOGF-HZPDHXFCSA-N 2 2 332.492 2.292 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001486223034 1193760633 /nfs/dbraw/zinc/76/06/33/1193760633.db2.gz WTQDBJZUMSXZSW-HZPDHXFCSA-N 2 2 345.447 2.034 10 0 EEAELP CC1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCCc1ccccc1 ZINC001486243187 1193769622 /nfs/dbraw/zinc/76/96/22/1193769622.db2.gz FHAOSSPZFYLZFV-QGZVFWFLSA-N 2 2 340.471 2.412 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2nc(C)cs2)CC1)[NH+](C)C ZINC001486516034 1194036029 /nfs/dbraw/zinc/03/60/29/1194036029.db2.gz XLSKSJACTOJGKX-HNNXBMFYSA-N 2 2 336.505 2.040 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2nc(C)cs2)CC1)[NH+](C)C ZINC001486516034 1194036031 /nfs/dbraw/zinc/03/60/31/1194036031.db2.gz XLSKSJACTOJGKX-HNNXBMFYSA-N 2 2 336.505 2.040 10 0 EEAELP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CO1 ZINC000703341716 1196432087 /nfs/dbraw/zinc/43/20/87/1196432087.db2.gz AYHWLTVNNIFJCL-AWEZNQCLSA-N 2 2 327.469 2.390 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CCC1 ZINC001273173677 1197317206 /nfs/dbraw/zinc/31/72/06/1197317206.db2.gz ZIEWFSPUZZBNTJ-UHFFFAOYSA-N 2 2 337.427 2.262 10 0 EEAELP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001691673587 1197470856 /nfs/dbraw/zinc/47/08/56/1197470856.db2.gz YYXYKBUOOCNKNS-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000871624025 1197794876 /nfs/dbraw/zinc/79/48/76/1197794876.db2.gz RBNLPPFVUJCWDL-INIZCTEOSA-N 2 2 333.480 2.322 10 0 EEAELP CC1(C)CCc2onc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])c2C1 ZINC000872144204 1198053401 /nfs/dbraw/zinc/05/34/01/1198053401.db2.gz XPYCIXRZCUTQQV-CQSZACIVSA-N 2 2 348.491 2.009 10 0 EEAELP CC1(C)CCc2onc(C[N@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])c2C1 ZINC000872144204 1198053409 /nfs/dbraw/zinc/05/34/09/1198053409.db2.gz XPYCIXRZCUTQQV-CQSZACIVSA-N 2 2 348.491 2.009 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cncc(F)c2)[C@@H]1C ZINC001411060575 1198739876 /nfs/dbraw/zinc/73/98/76/1198739876.db2.gz KUGYZIZRDWDARI-RHSMWYFYSA-N 2 2 336.455 2.032 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2cncc(F)c2)[C@@H]1C ZINC001411060575 1198739878 /nfs/dbraw/zinc/73/98/78/1198739878.db2.gz KUGYZIZRDWDARI-RHSMWYFYSA-N 2 2 336.455 2.032 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001411060575 1198739880 /nfs/dbraw/zinc/73/98/80/1198739880.db2.gz KUGYZIZRDWDARI-RHSMWYFYSA-N 2 2 336.455 2.032 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001411060575 1198739882 /nfs/dbraw/zinc/73/98/82/1198739882.db2.gz KUGYZIZRDWDARI-RHSMWYFYSA-N 2 2 336.455 2.032 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001411247295 1198967963 /nfs/dbraw/zinc/96/79/63/1198967963.db2.gz KVBSYBDFOYWFBW-XSRFYTQQSA-N 2 2 332.370 2.120 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001411247295 1198967964 /nfs/dbraw/zinc/96/79/64/1198967964.db2.gz KVBSYBDFOYWFBW-XSRFYTQQSA-N 2 2 332.370 2.120 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)nc2ccccc2c1=O ZINC000866706211 1201585212 /nfs/dbraw/zinc/58/52/12/1201585212.db2.gz GKHSJADJVPSJII-LJQANCHMSA-N 2 2 328.460 2.130 10 0 EEAELP Cn1c(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)nc2ccccc2c1=O ZINC000866706211 1201585217 /nfs/dbraw/zinc/58/52/17/1201585217.db2.gz GKHSJADJVPSJII-LJQANCHMSA-N 2 2 328.460 2.130 10 0 EEAELP O=S(=O)(CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000886627009 1202535934 /nfs/dbraw/zinc/53/59/34/1202535934.db2.gz QPBGFIVJQGMAEC-BZSNNMDCSA-N 2 2 348.512 2.206 10 0 EEAELP O=S(=O)(CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000886627009 1202535935 /nfs/dbraw/zinc/53/59/35/1202535935.db2.gz QPBGFIVJQGMAEC-BZSNNMDCSA-N 2 2 348.512 2.206 10 0 EEAELP Cc1ncccc1C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001274125588 1204389797 /nfs/dbraw/zinc/38/97/97/1204389797.db2.gz ROYPKVDOMJFNDP-NSCUHMNNSA-N 2 2 335.411 2.342 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275209574 1205282536 /nfs/dbraw/zinc/28/25/36/1205282536.db2.gz SWRCXCOJUQFUKC-VSLUYMRVSA-N 2 2 338.455 2.253 10 0 EEAELP O=C(NC1CC(C[NH2+]CCCCCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001275250061 1205290706 /nfs/dbraw/zinc/29/07/06/1205290706.db2.gz BFNXLEWKHQWOFU-PCKAHOCUSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000924795006 1206033217 /nfs/dbraw/zinc/03/32/17/1206033217.db2.gz IXTMSFVVXYZQIO-IAGOWNOFSA-N 2 2 348.487 2.158 10 0 EEAELP CCn1nc(C)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000925935705 1206171368 /nfs/dbraw/zinc/17/13/68/1206171368.db2.gz GNJAYPYVPCOCSM-XJKSGUPXSA-N 2 2 343.479 2.315 10 0 EEAELP Cc1nc(N(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000719958475 1213637173 /nfs/dbraw/zinc/63/71/73/1213637173.db2.gz LCRLPRURWJXHRU-INIZCTEOSA-N 2 2 326.448 2.253 10 0 EEAELP Cc1nc(N(C)C[C@@H]2CCCC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000719958475 1213637178 /nfs/dbraw/zinc/63/71/78/1213637178.db2.gz LCRLPRURWJXHRU-INIZCTEOSA-N 2 2 326.448 2.253 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305630907 1216817213 /nfs/dbraw/zinc/81/72/13/1216817213.db2.gz MMGHFRQPPKZCOD-DLBZAZTESA-N 2 2 333.432 2.389 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305630907 1216817219 /nfs/dbraw/zinc/81/72/19/1216817219.db2.gz MMGHFRQPPKZCOD-DLBZAZTESA-N 2 2 333.432 2.389 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)c1 ZINC000900332795 1234226250 /nfs/dbraw/zinc/22/62/50/1234226250.db2.gz CLGNNMBXQHDERR-ATVHPVEESA-N 2 2 345.487 2.033 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)/C=C(/C)C[NH+]2CCOCC2)c1 ZINC000900332795 1234226252 /nfs/dbraw/zinc/22/62/52/1234226252.db2.gz CLGNNMBXQHDERR-ATVHPVEESA-N 2 2 345.487 2.033 10 0 EEAELP C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903087704 1239700312 /nfs/dbraw/zinc/70/03/12/1239700312.db2.gz HAQKZHPRYFDOKI-WMLDXEAASA-N 2 2 333.457 2.490 10 0 EEAELP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCSC1 ZINC000903309215 1240225936 /nfs/dbraw/zinc/22/59/36/1240225936.db2.gz DMENDZBOYLQDHR-NXHRZFHOSA-N 2 2 335.517 2.404 10 0 EEAELP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCSC1 ZINC000903309215 1240225941 /nfs/dbraw/zinc/22/59/41/1240225941.db2.gz DMENDZBOYLQDHR-NXHRZFHOSA-N 2 2 335.517 2.404 10 0 EEAELP CC1(C)C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@@H]1[NH3+] ZINC000903555893 1240918537 /nfs/dbraw/zinc/91/85/37/1240918537.db2.gz FVJVTJYMPCBALM-INIZCTEOSA-N 2 2 328.464 2.180 10 0 EEAELP CC1(C)C[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C[C@@H]1[NH3+] ZINC000903555893 1240918555 /nfs/dbraw/zinc/91/85/55/1240918555.db2.gz FVJVTJYMPCBALM-INIZCTEOSA-N 2 2 328.464 2.180 10 0 EEAELP CC[C@@](C)([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1nc(C)cs1 ZINC000903898404 1242390837 /nfs/dbraw/zinc/39/08/37/1242390837.db2.gz LDIQZYARDVAKNV-XJKSGUPXSA-N 2 2 334.493 2.383 10 0 EEAELP CCN(CC[NH2+]CC[C@H]1CCCCO1)C(=O)c1cccc2[nH+]ccn21 ZINC001273507046 1278727184 /nfs/dbraw/zinc/72/71/84/1278727184.db2.gz VNLIKQIFYULWRO-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001488838741 1290259668 /nfs/dbraw/zinc/25/96/68/1290259668.db2.gz UVOPBUHGWVDTAX-BZUAXINKSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@@H+]1C ZINC000851798120 1291842065 /nfs/dbraw/zinc/84/20/65/1291842065.db2.gz YIDYJSYQPNZVSZ-OAGGEKHMSA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@H+]1C ZINC000851798120 1291842076 /nfs/dbraw/zinc/84/20/76/1291842076.db2.gz YIDYJSYQPNZVSZ-OAGGEKHMSA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH+]1C ZINC000851798120 1291842085 /nfs/dbraw/zinc/84/20/85/1291842085.db2.gz YIDYJSYQPNZVSZ-OAGGEKHMSA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH+]1C ZINC000851798120 1291842088 /nfs/dbraw/zinc/84/20/88/1291842088.db2.gz YIDYJSYQPNZVSZ-OAGGEKHMSA-N 2 2 341.496 2.037 10 0 EEAELP Cc1ccc(C(F)(F)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000855415572 1293209487 /nfs/dbraw/zinc/20/94/87/1293209487.db2.gz ZSGYSUILAYIDCZ-UHFFFAOYSA-N 2 2 327.419 2.087 10 0 EEAELP Cc1ccc(C(F)(F)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000855415572 1293209490 /nfs/dbraw/zinc/20/94/90/1293209490.db2.gz ZSGYSUILAYIDCZ-UHFFFAOYSA-N 2 2 327.419 2.087 10 0 EEAELP O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000857979407 1293976870 /nfs/dbraw/zinc/97/68/70/1293976870.db2.gz OHQOYBJZPDEOQE-MSOLQXFVSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000857979407 1293976875 /nfs/dbraw/zinc/97/68/75/1293976875.db2.gz OHQOYBJZPDEOQE-MSOLQXFVSA-N 2 2 338.455 2.399 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CC1 ZINC000862222641 1295757748 /nfs/dbraw/zinc/75/77/48/1295757748.db2.gz HLRPFLCALRRVMQ-OAHLLOKOSA-N 2 2 341.496 2.384 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000864054874 1296393028 /nfs/dbraw/zinc/39/30/28/1296393028.db2.gz CGSJLNJBWREKPR-VXGBXAGGSA-N 2 2 326.238 2.212 10 0 EEAELP CCO[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1)C[NH+](C)C ZINC000926961510 1296971254 /nfs/dbraw/zinc/97/12/54/1296971254.db2.gz JJVSBQVBKJEYMW-RLLQIKCJSA-N 2 2 349.519 2.005 10 0 EEAELP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCC[C@@H]1CCOC1 ZINC001277884930 1305016576 /nfs/dbraw/zinc/01/65/76/1305016576.db2.gz FRASMLAHDOIPQU-HZPDHXFCSA-N 2 2 344.459 2.201 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001281087935 1322834414 /nfs/dbraw/zinc/83/44/14/1322834414.db2.gz OKWHWPKVLZABCL-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP COCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001281087935 1322834416 /nfs/dbraw/zinc/83/44/16/1322834416.db2.gz 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Cc1cc(C)c(C(=O)N(CCO)CC[NH2+]CCC(C)(C)C)c(C)[nH+]1 ZINC001279773169 1323994055 /nfs/dbraw/zinc/99/40/55/1323994055.db2.gz DFHVOGVSIVNYGL-UHFFFAOYSA-N 2 2 335.492 2.467 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001280208033 1324115405 /nfs/dbraw/zinc/11/54/05/1324115405.db2.gz RFPJVWAYRKDDBP-ZIAGYGMSSA-N 2 2 340.418 2.216 10 0 EEAELP CCCCC[NH2+][C@]1(CO)CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001281143362 1324790337 /nfs/dbraw/zinc/79/03/37/1324790337.db2.gz SVOPLLYDUOYEKT-LJQANCHMSA-N 2 2 344.459 2.081 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001282992017 1325870812 /nfs/dbraw/zinc/87/08/12/1325870812.db2.gz FLTBXJUKBRVLLA-IGTBDSCVSA-N 2 2 344.503 2.489 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3c[nH+]cn3C)C[C@@]2(C)C1 ZINC001282992017 1325870815 /nfs/dbraw/zinc/87/08/15/1325870815.db2.gz FLTBXJUKBRVLLA-IGTBDSCVSA-N 2 2 344.503 2.489 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC=C(C)C)C1 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ZINC001676973947 1357252558 /nfs/dbraw/zinc/25/25/58/1357252558.db2.gz CURAWVWSWSWLPO-KBPBESRZSA-N 2 2 346.397 2.490 10 0 EEAELP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC([NH2+]CCCC2CCOCC2)C1 ZINC001677403737 1357328260 /nfs/dbraw/zinc/32/82/60/1357328260.db2.gz RMNZEOTWHIKLIZ-UHFFFAOYSA-N 2 2 348.491 2.128 10 0 EEAELP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC([NH2+]CCCC2CCOCC2)C1 ZINC001677403737 1357328264 /nfs/dbraw/zinc/32/82/64/1357328264.db2.gz RMNZEOTWHIKLIZ-UHFFFAOYSA-N 2 2 348.491 2.128 10 0 EEAELP CN(CCCNC(=O)c1cccc(C[NH+](C)C)c1)c1cccc[nH+]1 ZINC001636580961 1352666385 /nfs/dbraw/zinc/66/63/85/1352666385.db2.gz NNYBRVUWZYVVJD-UHFFFAOYSA-N 2 2 326.444 2.400 10 0 EEAELP CCc1[nH]c(CNC(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)c[nH+]1 ZINC001639097251 1352694816 /nfs/dbraw/zinc/69/48/16/1352694816.db2.gz HUDVSPSVIYPWIL-JXMROGBWSA-N 2 2 342.443 2.242 10 0 EEAELP CCc1[nH]cc(CNC(=O)C=Cc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC001639097251 1352694819 /nfs/dbraw/zinc/69/48/19/1352694819.db2.gz HUDVSPSVIYPWIL-JXMROGBWSA-N 2 2 342.443 2.242 10 0 EEAELP CCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CCO1 ZINC001649472231 1353524305 /nfs/dbraw/zinc/52/43/05/1353524305.db2.gz LCHHKDHAEJKEQF-NVXWUHKLSA-N 2 2 344.459 2.262 10 0 EEAELP Cn1cc(CC[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)cn1 ZINC001654906747 1354161336 /nfs/dbraw/zinc/16/13/36/1354161336.db2.gz STJZCRMSTUQPMK-UHFFFAOYSA-N 2 2 342.487 2.187 10 0 EEAELP Cn1cc(CC[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)cn1 ZINC001654906747 1354161338 /nfs/dbraw/zinc/16/13/38/1354161338.db2.gz STJZCRMSTUQPMK-UHFFFAOYSA-N 2 2 342.487 2.187 10 0 EEAELP Cn1cc(CC[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)cn1 ZINC001654906747 1354161339 /nfs/dbraw/zinc/16/13/39/1354161339.db2.gz STJZCRMSTUQPMK-UHFFFAOYSA-N 2 2 342.487 2.187 10 0 EEAELP Cn1cc(CC[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)cn1 ZINC001654906747 1354161341 /nfs/dbraw/zinc/16/13/41/1354161341.db2.gz STJZCRMSTUQPMK-UHFFFAOYSA-N 2 2 342.487 2.187 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@H]1CC[C@@H](C)O1 ZINC001660558384 1354490030 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2.011 10 0 EEAELP Cc1cncc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001663115554 1354919798 /nfs/dbraw/zinc/91/97/98/1354919798.db2.gz YUQSKLZXGSKVGF-QGZVFWFLSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1cncc(C[N@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001663115554 1354919800 /nfs/dbraw/zinc/91/98/00/1354919800.db2.gz YUQSKLZXGSKVGF-QGZVFWFLSA-N 2 2 341.459 2.217 10 0 EEAELP CN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001664013019 1355074112 /nfs/dbraw/zinc/07/41/12/1355074112.db2.gz BNEMLWDFQBMVMR-UHFFFAOYSA-N 2 2 343.818 2.473 10 0 EEAELP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001664516374 1355184359 /nfs/dbraw/zinc/18/43/59/1355184359.db2.gz ADWHYLGTLSERKR-JKSUJKDBSA-N 2 2 338.471 2.410 10 0 EEAELP CC[C@@H](F)C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001664516374 1355184362 /nfs/dbraw/zinc/18/43/62/1355184362.db2.gz ADWHYLGTLSERKR-JKSUJKDBSA-N 2 2 338.471 2.410 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CCc1cccs1 ZINC001666573431 1355547225 /nfs/dbraw/zinc/54/72/25/1355547225.db2.gz MLCLRBZZXDZNPZ-CABCVRRESA-N 2 2 346.500 2.092 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)n1 ZINC001669063180 1356080024 /nfs/dbraw/zinc/08/00/24/1356080024.db2.gz GMOICHWCFCKGKU-APHBUQMISA-N 2 2 341.459 2.308 10 0 EEAELP CCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001672433526 1356522339 /nfs/dbraw/zinc/52/23/39/1356522339.db2.gz GHGMWJDEYXAEHE-YYIAUSFCSA-N 2 2 330.476 2.104 10 0 EEAELP CCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@H]2C1 ZINC001672433526 1356522342 /nfs/dbraw/zinc/52/23/42/1356522342.db2.gz GHGMWJDEYXAEHE-YYIAUSFCSA-N 2 2 330.476 2.104 10 0 EEAELP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001673732911 1356739952 /nfs/dbraw/zinc/73/99/52/1356739952.db2.gz MUNXPCWEQXYMBD-HUUCEWRRSA-N 2 2 348.491 2.204 10 0 EEAELP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001673732911 1356739955 /nfs/dbraw/zinc/73/99/55/1356739955.db2.gz MUNXPCWEQXYMBD-HUUCEWRRSA-N 2 2 348.491 2.204 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC3CC(C[NH2+]CC[C@@H](C)F)C3)ccn12 ZINC001674542014 1356856294 /nfs/dbraw/zinc/85/62/94/1356856294.db2.gz NMKKYSHYGJBPBT-XEBKBJJBSA-N 2 2 332.423 2.489 10 0 EEAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCc1ccns1 ZINC001674947785 1356915147 /nfs/dbraw/zinc/91/51/47/1356915147.db2.gz DEVNTOUNKHSQMI-GFCCVEGCSA-N 2 2 343.456 2.312 10 0 EEAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCc1ccns1 ZINC001674947785 1356915148 /nfs/dbraw/zinc/91/51/48/1356915148.db2.gz DEVNTOUNKHSQMI-GFCCVEGCSA-N 2 2 343.456 2.312 10 0 EEAELP Cc1csc(C[NH+]2CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001675359514 1356970371 /nfs/dbraw/zinc/97/03/71/1356970371.db2.gz GBPLWVBVBITNKS-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP C[C@H](C[NH2+]Cc1nc2ccccc2o1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001698838359 1405100431 /nfs/dbraw/zinc/10/04/31/1405100431.db2.gz WWEHMIZIEMNUHW-CQSZACIVSA-N 2 2 341.415 2.051 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001698863783 1405119406 /nfs/dbraw/zinc/11/94/06/1405119406.db2.gz JATLYYKLLWKLLJ-QGZVFWFLSA-N 2 2 344.459 2.015 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C/C=C\Cl ZINC001699020987 1405236205 /nfs/dbraw/zinc/23/62/05/1405236205.db2.gz JATLLPYGTBVDOP-XVKUJCNDSA-N 2 2 337.851 2.260 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001699116364 1405270801 /nfs/dbraw/zinc/27/08/01/1405270801.db2.gz XCWSIZZPCRRRHI-WMZOPIPTSA-N 2 2 340.471 2.439 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001699261447 1405303674 /nfs/dbraw/zinc/30/36/74/1405303674.db2.gz FBPSOOGTBVXLED-UIIMQBOASA-N 2 2 326.391 2.040 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C\C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001699261447 1405303682 /nfs/dbraw/zinc/30/36/82/1405303682.db2.gz FBPSOOGTBVXLED-UIIMQBOASA-N 2 2 326.391 2.040 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001699517255 1405369394 /nfs/dbraw/zinc/36/93/94/1405369394.db2.gz MPXYESDZJRPQOE-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001699869525 1405533489 /nfs/dbraw/zinc/53/34/89/1405533489.db2.gz UGADDTZJXCDMTK-LJQANCHMSA-N 2 2 344.459 2.203 10 0 EEAELP CCOCC[N@H+]1CCC[C@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001699869525 1405533492 /nfs/dbraw/zinc/53/34/92/1405533492.db2.gz UGADDTZJXCDMTK-LJQANCHMSA-N 2 2 344.459 2.203 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000820808393 786463186 /nfs/dbraw/zinc/46/31/86/786463186.db2.gz DVOYHVKOKXEDKH-YJBOKZPZSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000820808393 786463196 /nfs/dbraw/zinc/46/31/96/786463196.db2.gz DVOYHVKOKXEDKH-YJBOKZPZSA-N 2 2 329.448 2.029 10 0 EEAELP CC[N@@H+]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)C1 ZINC000910267900 786594917 /nfs/dbraw/zinc/59/49/17/786594917.db2.gz UCIKUNCXWSLXGA-STQMWFEESA-N 2 2 332.370 2.319 10 0 EEAELP CC[N@H+]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@@H](C)C1 ZINC000910267900 786594926 /nfs/dbraw/zinc/59/49/26/786594926.db2.gz UCIKUNCXWSLXGA-STQMWFEESA-N 2 2 332.370 2.319 10 0 EEAELP CC(C)c1ncsc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000823699224 787876046 /nfs/dbraw/zinc/87/60/46/787876046.db2.gz DKCMXSJICWYJDW-UHFFFAOYSA-N 2 2 327.498 2.272 10 0 EEAELP CC(C)c1ncsc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000823699224 787876052 /nfs/dbraw/zinc/87/60/52/787876052.db2.gz DKCMXSJICWYJDW-UHFFFAOYSA-N 2 2 327.498 2.272 10 0 EEAELP Cc1[nH]c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)c(C)[nH+]1 ZINC000929347186 788532897 /nfs/dbraw/zinc/53/28/97/788532897.db2.gz LGDZVZMPLIVYGC-UHFFFAOYSA-N 2 2 334.386 2.113 10 0 EEAELP C[C@@]1(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C[C@@]1(F)Cl ZINC000846040621 790034216 /nfs/dbraw/zinc/03/42/16/790034216.db2.gz VVSAOCYFXCPNPZ-SJORKVTESA-N 2 2 347.906 2.077 10 0 EEAELP C[C@@]1(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C[C@@]1(F)Cl ZINC000846040621 790034221 /nfs/dbraw/zinc/03/42/21/790034221.db2.gz VVSAOCYFXCPNPZ-SJORKVTESA-N 2 2 347.906 2.077 10 0 EEAELP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000913632009 793993503 /nfs/dbraw/zinc/99/35/03/793993503.db2.gz MMEUCOTYHXGMFD-INIZCTEOSA-N 2 2 342.487 2.458 10 0 EEAELP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000921695501 795390871 /nfs/dbraw/zinc/39/08/71/795390871.db2.gz UTRXYDUMQLEMJL-PMPSAXMXSA-N 2 2 336.867 2.089 10 0 EEAELP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000921695501 795390881 /nfs/dbraw/zinc/39/08/81/795390881.db2.gz UTRXYDUMQLEMJL-PMPSAXMXSA-N 2 2 336.867 2.089 10 0 EEAELP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000921695501 795390889 /nfs/dbraw/zinc/39/08/89/795390889.db2.gz UTRXYDUMQLEMJL-PMPSAXMXSA-N 2 2 336.867 2.089 10 0 EEAELP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000921695501 795390894 /nfs/dbraw/zinc/39/08/94/795390894.db2.gz UTRXYDUMQLEMJL-PMPSAXMXSA-N 2 2 336.867 2.089 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001436483942 1087971292 /nfs/dbraw/zinc/97/12/92/1087971292.db2.gz NPIUELGFOSKKOA-VBQJREDUSA-N 2 2 345.447 2.164 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001436483942 1087971324 /nfs/dbraw/zinc/97/13/24/1087971324.db2.gz NPIUELGFOSKKOA-VBQJREDUSA-N 2 2 345.447 2.164 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001436693695 1088150994 /nfs/dbraw/zinc/15/09/94/1088150994.db2.gz CZDLSTSCRFTDNV-MOPGFXCFSA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@@H](F)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001436693695 1088151002 /nfs/dbraw/zinc/15/10/02/1088151002.db2.gz CZDLSTSCRFTDNV-MOPGFXCFSA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@@H](F)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001436693695 1088151006 /nfs/dbraw/zinc/15/10/06/1088151006.db2.gz CZDLSTSCRFTDNV-MOPGFXCFSA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@@H](F)C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001436693695 1088151011 /nfs/dbraw/zinc/15/10/11/1088151011.db2.gz CZDLSTSCRFTDNV-MOPGFXCFSA-N 2 2 349.494 2.490 10 0 EEAELP C[C@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]C/C(Cl)=C/Cl ZINC001437380188 1089628497 /nfs/dbraw/zinc/62/84/97/1089628497.db2.gz FJJRMHMKANOCFR-XNAKUGGASA-N 2 2 345.274 2.249 10 0 EEAELP Cc1ncc(C[N@H+](C)CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)s1 ZINC001437530824 1089963020 /nfs/dbraw/zinc/96/30/20/1089963020.db2.gz KUJSKQLMDXLQMC-HOCLYGCPSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)s1 ZINC001437530824 1089963031 /nfs/dbraw/zinc/96/30/31/1089963031.db2.gz KUJSKQLMDXLQMC-HOCLYGCPSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[NH+](C)CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)s1 ZINC001437530824 1089963042 /nfs/dbraw/zinc/96/30/42/1089963042.db2.gz KUJSKQLMDXLQMC-HOCLYGCPSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1ncc(C[NH+](C)CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)s1 ZINC001437530824 1089963056 /nfs/dbraw/zinc/96/30/56/1089963056.db2.gz KUJSKQLMDXLQMC-HOCLYGCPSA-N 2 2 336.505 2.016 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(F)c1Cl ZINC001437646987 1090168111 /nfs/dbraw/zinc/16/81/11/1090168111.db2.gz GGJIQIQELGOKJL-AWEZNQCLSA-N 2 2 341.858 2.369 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)Cc1cccc(F)c1Cl ZINC001437646987 1090168113 /nfs/dbraw/zinc/16/81/13/1090168113.db2.gz GGJIQIQELGOKJL-AWEZNQCLSA-N 2 2 341.858 2.369 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1cccc(F)c1Cl ZINC001437646987 1090168115 /nfs/dbraw/zinc/16/81/15/1090168115.db2.gz GGJIQIQELGOKJL-AWEZNQCLSA-N 2 2 341.858 2.369 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1cccc(F)c1Cl ZINC001437646987 1090168119 /nfs/dbraw/zinc/16/81/19/1090168119.db2.gz GGJIQIQELGOKJL-AWEZNQCLSA-N 2 2 341.858 2.369 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437714637 1090261913 /nfs/dbraw/zinc/26/19/13/1090261913.db2.gz GCRKZEGYIVJWCG-QGZVFWFLSA-N 2 2 339.439 2.271 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001437714637 1090261916 /nfs/dbraw/zinc/26/19/16/1090261916.db2.gz GCRKZEGYIVJWCG-QGZVFWFLSA-N 2 2 339.439 2.271 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2cnc(Cl)s2)C1)[NH+](C)C ZINC001437722598 1090274138 /nfs/dbraw/zinc/27/41/38/1090274138.db2.gz VDPXGCBBHPKMGG-WCQYABFASA-N 2 2 344.912 2.075 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2cnc(Cl)s2)C1)[NH+](C)C ZINC001437722598 1090274139 /nfs/dbraw/zinc/27/41/39/1090274139.db2.gz VDPXGCBBHPKMGG-WCQYABFASA-N 2 2 344.912 2.075 10 0 EEAELP CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001437905097 1090485800 /nfs/dbraw/zinc/48/58/00/1090485800.db2.gz KBCFNGALBOSBBE-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP CCCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001437905097 1090485803 /nfs/dbraw/zinc/48/58/03/1090485803.db2.gz KBCFNGALBOSBBE-MSOLQXFVSA-N 2 2 348.491 2.013 10 0 EEAELP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)O1 ZINC001438062085 1090625274 /nfs/dbraw/zinc/62/52/74/1090625274.db2.gz KBKPZXQPHINHNE-YOEHRIQHSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@H]1CC[C@@H](C[NH+]2CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)O1 ZINC001438062085 1090625277 /nfs/dbraw/zinc/62/52/77/1090625277.db2.gz KBKPZXQPHINHNE-YOEHRIQHSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001438229879 1090708894 /nfs/dbraw/zinc/70/88/94/1090708894.db2.gz IQYBBETXIJFRTH-ZFWWWQNUSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001438229879 1090708900 /nfs/dbraw/zinc/70/89/00/1090708900.db2.gz IQYBBETXIJFRTH-ZFWWWQNUSA-N 2 2 340.418 2.412 10 0 EEAELP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001438394826 1090881259 /nfs/dbraw/zinc/88/12/59/1090881259.db2.gz VLOBVNHMRWALLW-CABCVRRESA-N 2 2 336.455 2.212 10 0 EEAELP CC[C@@H](F)C[NH2+]CC1(NC(=O)[C@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001438394829 1090881899 /nfs/dbraw/zinc/88/18/99/1090881899.db2.gz VLOBVNHMRWALLW-LSDHHAIUSA-N 2 2 336.455 2.212 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CCCC1 ZINC001438395420 1090882852 /nfs/dbraw/zinc/88/28/52/1090882852.db2.gz LUHPUZNPSKGCJM-CYBMUJFWSA-N 2 2 340.418 2.406 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001438685009 1091183211 /nfs/dbraw/zinc/18/32/11/1091183211.db2.gz FQBGOXGZEZNTEJ-UKRRQHHQSA-N 2 2 343.475 2.237 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001438685009 1091183212 /nfs/dbraw/zinc/18/32/12/1091183212.db2.gz FQBGOXGZEZNTEJ-UKRRQHHQSA-N 2 2 343.475 2.237 10 0 EEAELP CC(C)C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001438741394 1091294070 /nfs/dbraw/zinc/29/40/70/1091294070.db2.gz ZBIBOUBTJVPWMB-CVEARBPZSA-N 2 2 344.459 2.105 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1ccns1)C1CCCCC1 ZINC001438752879 1091313112 /nfs/dbraw/zinc/31/31/12/1091313112.db2.gz LOECCMFGALGWES-MRXNPFEDSA-N 2 2 347.488 2.195 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1F ZINC001445568316 1091345187 /nfs/dbraw/zinc/34/51/87/1091345187.db2.gz FMXMTYHIZKKEMZ-HOCLYGCPSA-N 2 2 344.434 2.188 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001440408648 1093602475 /nfs/dbraw/zinc/60/24/75/1093602475.db2.gz WQDHTFLDDGRKLE-MELADBBJSA-N 2 2 340.418 2.262 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc2ncc(C)s2)c[nH+]1 ZINC001448687853 1093751755 /nfs/dbraw/zinc/75/17/55/1093751755.db2.gz WLSWGRDVEYJLQR-LBPRGKRZSA-N 2 2 349.504 2.328 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001440730018 1093976612 /nfs/dbraw/zinc/97/66/12/1093976612.db2.gz HULWXJJSOYGRAF-KRWDZBQOSA-N 2 2 332.492 2.341 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001440730018 1093976613 /nfs/dbraw/zinc/97/66/13/1093976613.db2.gz HULWXJJSOYGRAF-KRWDZBQOSA-N 2 2 332.492 2.341 10 0 EEAELP C[N@H+](C/C=C/Cl)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001440730577 1093977767 /nfs/dbraw/zinc/97/77/67/1093977767.db2.gz ZOOHTTGOUQAVBA-MENSMJJYSA-N 2 2 336.867 2.121 10 0 EEAELP C[N@@H+](C/C=C/Cl)C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001440730577 1093977770 /nfs/dbraw/zinc/97/77/70/1093977770.db2.gz ZOOHTTGOUQAVBA-MENSMJJYSA-N 2 2 336.867 2.121 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1Cc1cncs1 ZINC001449015083 1094017717 /nfs/dbraw/zinc/01/77/17/1094017717.db2.gz JYGZNPYTFKDWTR-HIFRSBDPSA-N 2 2 336.505 2.097 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1Cc1cncs1 ZINC001449015083 1094017722 /nfs/dbraw/zinc/01/77/22/1094017722.db2.gz JYGZNPYTFKDWTR-HIFRSBDPSA-N 2 2 336.505 2.097 10 0 EEAELP C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)[C@H](C)[NH2+]CC1CCCC1 ZINC001440815944 1094069226 /nfs/dbraw/zinc/06/92/26/1094069226.db2.gz WYTZGXDLVLEMMQ-GJZGRUSLSA-N 2 2 332.492 2.435 10 0 EEAELP CCc1ccc(CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001440855995 1094116522 /nfs/dbraw/zinc/11/65/22/1094116522.db2.gz VBVGTNQEWKKRQM-JKSUJKDBSA-N 2 2 328.460 2.171 10 0 EEAELP COC[C@H](C)[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001449255295 1094202927 /nfs/dbraw/zinc/20/29/27/1094202927.db2.gz WWJGGPGGGGWUAU-AWEZNQCLSA-N 2 2 332.448 2.380 10 0 EEAELP COC[C@H](C)[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001449255295 1094202930 /nfs/dbraw/zinc/20/29/30/1094202930.db2.gz WWJGGPGGGGWUAU-AWEZNQCLSA-N 2 2 332.448 2.380 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001441172681 1094526660 /nfs/dbraw/zinc/52/66/60/1094526660.db2.gz ZFDFLJMBDSPSRJ-DNVCBOLYSA-N 2 2 338.455 2.397 10 0 EEAELP Cc1conc1C[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001441189578 1094549207 /nfs/dbraw/zinc/54/92/07/1094549207.db2.gz VANYRNMXIZWDAK-JKSUJKDBSA-N 2 2 348.491 2.184 10 0 EEAELP CC(C)(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001441197474 1094556814 /nfs/dbraw/zinc/55/68/14/1094556814.db2.gz BYVSKYCZWQAXBK-HZPDHXFCSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC001441864649 1095971079 /nfs/dbraw/zinc/97/10/79/1095971079.db2.gz FYNIBDUTLSDTJB-DOMZBBRYSA-N 2 2 346.500 2.418 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H](C[NH2+]Cc1cncs1)C(C)(C)C ZINC001442168034 1096430130 /nfs/dbraw/zinc/43/01/30/1096430130.db2.gz HYYGTLYDZORLKL-HNNXBMFYSA-N 2 2 349.504 2.130 10 0 EEAELP C[C@H](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]Cc1ccccc1 ZINC001442258968 1096558788 /nfs/dbraw/zinc/55/87/88/1096558788.db2.gz GNRASKXGWSAUBM-MRXNPFEDSA-N 2 2 340.471 2.447 10 0 EEAELP C[N@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001442485004 1096821715 /nfs/dbraw/zinc/82/17/15/1096821715.db2.gz BUOAMXCCNLTNMG-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001442485004 1096821722 /nfs/dbraw/zinc/82/17/22/1096821722.db2.gz BUOAMXCCNLTNMG-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP C[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)CCC(C)(C)C ZINC001442485004 1096821739 /nfs/dbraw/zinc/82/17/39/1096821739.db2.gz BUOAMXCCNLTNMG-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP C[NH+](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)CCC(C)(C)C ZINC001442485004 1096821745 /nfs/dbraw/zinc/82/17/45/1096821745.db2.gz BUOAMXCCNLTNMG-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](F)C[NH2+][C@H](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001443136466 1097564413 /nfs/dbraw/zinc/56/44/13/1097564413.db2.gz FZCJNQBRKWTGDL-ZBFHGGJFSA-N 2 2 338.471 2.318 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001443181291 1097621631 /nfs/dbraw/zinc/62/16/31/1097621631.db2.gz HKRPFAYWXOJOHK-AEFFLSMTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001443181291 1097621637 /nfs/dbraw/zinc/62/16/37/1097621637.db2.gz HKRPFAYWXOJOHK-AEFFLSMTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001443181291 1097621640 /nfs/dbraw/zinc/62/16/40/1097621640.db2.gz HKRPFAYWXOJOHK-AEFFLSMTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cc(C)no2)C1 ZINC001443181291 1097621643 /nfs/dbraw/zinc/62/16/43/1097621643.db2.gz HKRPFAYWXOJOHK-AEFFLSMTSA-N 2 2 348.491 2.280 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001443484193 1097980941 /nfs/dbraw/zinc/98/09/41/1097980941.db2.gz WPFXFXJQKYMYEJ-CRAIPNDOSA-N 2 2 345.487 2.431 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC001443484193 1097980948 /nfs/dbraw/zinc/98/09/48/1097980948.db2.gz WPFXFXJQKYMYEJ-CRAIPNDOSA-N 2 2 345.487 2.431 10 0 EEAELP CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cc(C)ns1 ZINC001444001821 1098516175 /nfs/dbraw/zinc/51/61/75/1098516175.db2.gz GFCPOCQGBAVLRA-KGLIPLIRSA-N 2 2 335.477 2.284 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001444027468 1098546323 /nfs/dbraw/zinc/54/63/23/1098546323.db2.gz DTGBYYVVEAVBIT-QGZVFWFLSA-N 2 2 328.460 2.493 10 0 EEAELP CC(C)[NH2+]CCC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001444158559 1098705327 /nfs/dbraw/zinc/70/53/27/1098705327.db2.gz MMJVMKFRQDHAFJ-UHFFFAOYSA-N 2 2 332.492 2.389 10 0 EEAELP Cc1ccncc1C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479720526 1098808837 /nfs/dbraw/zinc/80/88/37/1098808837.db2.gz PRHXYVSYCLKCOB-JZXOWHBKSA-N 2 2 341.459 2.317 10 0 EEAELP Cc1ccncc1C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479720526 1098808846 /nfs/dbraw/zinc/80/88/46/1098808846.db2.gz PRHXYVSYCLKCOB-JZXOWHBKSA-N 2 2 341.459 2.317 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001479780609 1098967896 /nfs/dbraw/zinc/96/78/96/1098967896.db2.gz AXORDMPYXWNPOH-HNNXBMFYSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001479780609 1098967905 /nfs/dbraw/zinc/96/79/05/1098967905.db2.gz AXORDMPYXWNPOH-HNNXBMFYSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1nccs1 ZINC001479780609 1098967914 /nfs/dbraw/zinc/96/79/14/1098967914.db2.gz AXORDMPYXWNPOH-HNNXBMFYSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC001479780609 1098967936 /nfs/dbraw/zinc/96/79/36/1098967936.db2.gz AXORDMPYXWNPOH-HNNXBMFYSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)c1cccc(C[N@H+](C)CCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001479799463 1099025407 /nfs/dbraw/zinc/02/54/07/1099025407.db2.gz ZEWPVDDFNLKGDH-UHFFFAOYSA-N 2 2 329.448 2.109 10 0 EEAELP CC(C)c1cccc(C[N@@H+](C)CCCNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001479799463 1099025419 /nfs/dbraw/zinc/02/54/19/1099025419.db2.gz ZEWPVDDFNLKGDH-UHFFFAOYSA-N 2 2 329.448 2.109 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC001479800568 1099027963 /nfs/dbraw/zinc/02/79/63/1099027963.db2.gz OQIBRYQBOLSHSG-INIZCTEOSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC001479800568 1099027977 /nfs/dbraw/zinc/02/79/77/1099027977.db2.gz OQIBRYQBOLSHSG-INIZCTEOSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)co1 ZINC001479808546 1099057597 /nfs/dbraw/zinc/05/75/97/1099057597.db2.gz HAKRGOIKPYJWIZ-DOTOQJQBSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)co1 ZINC001479808546 1099057611 /nfs/dbraw/zinc/05/76/11/1099057611.db2.gz HAKRGOIKPYJWIZ-DOTOQJQBSA-N 2 2 336.480 2.042 10 0 EEAELP CC(C)OCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001479833644 1099115882 /nfs/dbraw/zinc/11/58/82/1099115882.db2.gz ZOKWNXUBYHGRKO-DLBZAZTESA-N 2 2 336.480 2.057 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001444635494 1099463083 /nfs/dbraw/zinc/46/30/83/1099463083.db2.gz KAOGQIAKXNRNQP-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](C[NH2+]C[C@H]1CCc2ccccc2C1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444693601 1099544879 /nfs/dbraw/zinc/54/48/79/1099544879.db2.gz NYYSRADFZMCLKY-CVEARBPZSA-N 2 2 340.471 2.194 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC001480305340 1100024689 /nfs/dbraw/zinc/02/46/89/1100024689.db2.gz BFGKDFPEGLOCLD-HNNXBMFYSA-N 2 2 347.488 2.148 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)s1 ZINC001480546729 1100380870 /nfs/dbraw/zinc/38/08/70/1100380870.db2.gz SAFBIEVBCBHVSB-VXGBXAGGSA-N 2 2 335.477 2.202 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH2+]Cc1nccs1 ZINC001495139360 1100810280 /nfs/dbraw/zinc/81/02/80/1100810280.db2.gz OMPFTNRQKRCTBC-NVXWUHKLSA-N 2 2 346.500 2.430 10 0 EEAELP C[C@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496245809 1100814656 /nfs/dbraw/zinc/81/46/56/1100814656.db2.gz WDDKXSAOOYZTNV-ZIAGYGMSSA-N 2 2 328.407 2.145 10 0 EEAELP CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CCCCC1 ZINC001496312237 1100903694 /nfs/dbraw/zinc/90/36/94/1100903694.db2.gz AYKDUUDPVJYGII-ROUUACIJSA-N 2 2 347.507 2.465 10 0 EEAELP CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CCCCC1 ZINC001496312237 1100903698 /nfs/dbraw/zinc/90/36/98/1100903698.db2.gz AYKDUUDPVJYGII-ROUUACIJSA-N 2 2 347.507 2.465 10 0 EEAELP CCCC[NH2+]C[C@@](C)(NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001495249583 1100946005 /nfs/dbraw/zinc/94/60/05/1100946005.db2.gz OVFASFLHLXGHRZ-PKOBYXMFSA-N 2 2 347.507 2.465 10 0 EEAELP CCCC[NH2+]C[C@@](C)(NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001495249583 1100946009 /nfs/dbraw/zinc/94/60/09/1100946009.db2.gz OVFASFLHLXGHRZ-PKOBYXMFSA-N 2 2 347.507 2.465 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)o1 ZINC001495281134 1100979238 /nfs/dbraw/zinc/97/92/38/1100979238.db2.gz MENWIUWTXPCFCF-FZKQIMNGSA-N 2 2 345.447 2.205 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@](C)(C[NH2+]CC1CCCC1)C1CC1 ZINC001495295861 1100995354 /nfs/dbraw/zinc/99/53/54/1100995354.db2.gz ATDXRUHLMGZXLX-IBGZPJMESA-N 2 2 332.492 2.417 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2c(F)cccc2F)C1 ZINC001446551938 1101021625 /nfs/dbraw/zinc/02/16/25/1101021625.db2.gz QAZNKKRTPALAHM-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2c(F)cccc2F)C1 ZINC001446551938 1101021634 /nfs/dbraw/zinc/02/16/34/1101021634.db2.gz QAZNKKRTPALAHM-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001446551938 1101021640 /nfs/dbraw/zinc/02/16/40/1101021640.db2.gz QAZNKKRTPALAHM-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001446551938 1101021646 /nfs/dbraw/zinc/02/16/46/1101021646.db2.gz QAZNKKRTPALAHM-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP Cc1cc(C)c(C(=O)NCc2ccc(C[NH2+]CCCO)cc2)c(C)[nH+]1 ZINC001495489614 1101199606 /nfs/dbraw/zinc/19/96/06/1101199606.db2.gz KZEKWBWNZBNRKL-UHFFFAOYSA-N 2 2 341.455 2.409 10 0 EEAELP CC[C@@H](F)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001495521051 1101233662 /nfs/dbraw/zinc/23/36/62/1101233662.db2.gz QOYLWIDXVLUWQX-BZUAXINKSA-N 2 2 336.455 2.480 10 0 EEAELP CC[C@@H](F)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001495521051 1101233670 /nfs/dbraw/zinc/23/36/70/1101233670.db2.gz QOYLWIDXVLUWQX-BZUAXINKSA-N 2 2 336.455 2.480 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001496797557 1101487797 /nfs/dbraw/zinc/48/77/97/1101487797.db2.gz YTUGJMVQTNMTDQ-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001496797557 1101487821 /nfs/dbraw/zinc/48/78/21/1101487821.db2.gz YTUGJMVQTNMTDQ-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001496797557 1101487825 /nfs/dbraw/zinc/48/78/25/1101487825.db2.gz YTUGJMVQTNMTDQ-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001496797557 1101487831 /nfs/dbraw/zinc/48/78/31/1101487831.db2.gz YTUGJMVQTNMTDQ-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCCCCF)C1 ZINC001496860210 1101621679 /nfs/dbraw/zinc/62/16/79/1101621679.db2.gz PQXWTAUYKNTZBN-NVXWUHKLSA-N 2 2 336.455 2.405 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001496860210 1101621685 /nfs/dbraw/zinc/62/16/85/1101621685.db2.gz PQXWTAUYKNTZBN-NVXWUHKLSA-N 2 2 336.455 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@H+]2CCCCCF)C1 ZINC001496860210 1101621687 /nfs/dbraw/zinc/62/16/87/1101621687.db2.gz PQXWTAUYKNTZBN-NVXWUHKLSA-N 2 2 336.455 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001496860210 1101621692 /nfs/dbraw/zinc/62/16/92/1101621692.db2.gz PQXWTAUYKNTZBN-NVXWUHKLSA-N 2 2 336.455 2.405 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2cscn2)CC1 ZINC001447148701 1102085224 /nfs/dbraw/zinc/08/52/24/1102085224.db2.gz IKGTULVILWSPBB-HOTGVXAUSA-N 2 2 348.516 2.050 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2cscn2)CC1 ZINC001447148701 1102085234 /nfs/dbraw/zinc/08/52/34/1102085234.db2.gz IKGTULVILWSPBB-HOTGVXAUSA-N 2 2 348.516 2.050 10 0 EEAELP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001497445548 1102501183 /nfs/dbraw/zinc/50/11/83/1102501183.db2.gz WNPIICHICONGIU-SFHVURJKSA-N 2 2 337.508 2.034 10 0 EEAELP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001497445548 1102501187 /nfs/dbraw/zinc/50/11/87/1102501187.db2.gz WNPIICHICONGIU-SFHVURJKSA-N 2 2 337.508 2.034 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001497683954 1102898503 /nfs/dbraw/zinc/89/85/03/1102898503.db2.gz ATVOMPFAMURRCE-SNAWJCMRSA-N 2 2 341.459 2.241 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)CCc1[nH+]ccn1C ZINC001497866908 1103224506 /nfs/dbraw/zinc/22/45/06/1103224506.db2.gz RGJLEGORGCTRSN-YXMGTMDOSA-N 2 2 326.444 2.160 10 0 EEAELP Cc1ncc(C[NH2+]CC2(NC(=O)Cn3cc[nH+]c3)CCCCC2)s1 ZINC001448233011 1104222563 /nfs/dbraw/zinc/22/25/63/1104222563.db2.gz FUZJUTLHEUXFSF-UHFFFAOYSA-N 2 2 347.488 2.257 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001494874116 1104484362 /nfs/dbraw/zinc/48/43/62/1104484362.db2.gz DQTJCNWNDDMRTK-MRXNPFEDSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccc(F)cc2F)C1 ZINC001494874116 1104484366 /nfs/dbraw/zinc/48/43/66/1104484366.db2.gz DQTJCNWNDDMRTK-MRXNPFEDSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001494874116 1104484369 /nfs/dbraw/zinc/48/43/69/1104484369.db2.gz DQTJCNWNDDMRTK-MRXNPFEDSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001494874116 1104484374 /nfs/dbraw/zinc/48/43/74/1104484374.db2.gz DQTJCNWNDDMRTK-MRXNPFEDSA-N 2 2 339.430 2.338 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001495000616 1104642385 /nfs/dbraw/zinc/64/23/85/1104642385.db2.gz OUQRQMVULRKEPU-MGPQQGTHSA-N 2 2 347.850 2.246 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001495000616 1104642388 /nfs/dbraw/zinc/64/23/88/1104642388.db2.gz OUQRQMVULRKEPU-MGPQQGTHSA-N 2 2 347.850 2.246 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001498046477 1106833274 /nfs/dbraw/zinc/83/32/74/1106833274.db2.gz JNXFVOAZJJPAFR-LBPRGKRZSA-N 2 2 336.461 2.014 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/Cl)C1 ZINC001480694817 1106900785 /nfs/dbraw/zinc/90/07/85/1106900785.db2.gz IROQNNABIBVRQJ-LPRNFTRESA-N 2 2 337.851 2.402 10 0 EEAELP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2ncccc2c1 ZINC001480813565 1107163792 /nfs/dbraw/zinc/16/37/92/1107163792.db2.gz VWCRWBUOEMVGOS-HNNXBMFYSA-N 2 2 337.427 2.116 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498572515 1107743305 /nfs/dbraw/zinc/74/33/05/1107743305.db2.gz RHLMNXSNUNHFTH-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](C/C(Cl)=C\Cl)C2)C1 ZINC001493238701 1107745611 /nfs/dbraw/zinc/74/56/11/1107745611.db2.gz DBQAHDTUVAPQRV-MJSVBIRZSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](C/C(Cl)=C\Cl)C2)C1 ZINC001493238701 1107745626 /nfs/dbraw/zinc/74/56/26/1107745626.db2.gz DBQAHDTUVAPQRV-MJSVBIRZSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001493238701 1107745639 /nfs/dbraw/zinc/74/56/39/1107745639.db2.gz DBQAHDTUVAPQRV-MJSVBIRZSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001493238701 1107745653 /nfs/dbraw/zinc/74/56/53/1107745653.db2.gz DBQAHDTUVAPQRV-MJSVBIRZSA-N 2 2 334.291 2.085 10 0 EEAELP CN(CCC[NH2+]CCC1CCOCC1)C(=O)c1cccc2[nH+]ccn21 ZINC001498577551 1107751736 /nfs/dbraw/zinc/75/17/36/1107751736.db2.gz NDKONURDIYVAJZ-UHFFFAOYSA-N 2 2 344.459 2.203 10 0 EEAELP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)CCc1[nH+]ccn1C ZINC001498583887 1107759897 /nfs/dbraw/zinc/75/98/97/1107759897.db2.gz UMCTURIKMKWZHA-UHFFFAOYSA-N 2 2 333.263 2.110 10 0 EEAELP CC(C)(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001499008372 1108448999 /nfs/dbraw/zinc/44/89/99/1108448999.db2.gz WTBXNGPZVJQBCL-HZPDHXFCSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)(C)CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001499008372 1108449006 /nfs/dbraw/zinc/44/90/06/1108449006.db2.gz WTBXNGPZVJQBCL-HZPDHXFCSA-N 2 2 332.492 2.462 10 0 EEAELP CN(CC[NH2+]CCCc1ccc(Cl)cc1)C(=O)Cc1c[nH+]cn1C ZINC001493762268 1108637912 /nfs/dbraw/zinc/63/79/12/1108637912.db2.gz AZULHAIYOWJQBJ-UHFFFAOYSA-N 2 2 348.878 2.297 10 0 EEAELP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC001460948281 1110329203 /nfs/dbraw/zinc/32/92/03/1110329203.db2.gz TXNBPZDRUGYGAI-UHFFFAOYSA-N 2 2 332.492 2.032 10 0 EEAELP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001472115790 1110543996 /nfs/dbraw/zinc/54/39/96/1110543996.db2.gz NXIUBGPBWYJKCS-RDJZCZTQSA-N 2 2 332.492 2.394 10 0 EEAELP C[C@@H](CN1CCC([NH2+]Cc2ccccc2)CC1)C[NH+]1CCOCC1 ZINC001473490167 1110575918 /nfs/dbraw/zinc/57/59/18/1110575918.db2.gz WIJDDDUSDZZQKB-SFHVURJKSA-N 2 2 331.504 2.209 10 0 EEAELP C[C@H](CN1CCOCC1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC001473490167 1110575919 /nfs/dbraw/zinc/57/59/19/1110575919.db2.gz WIJDDDUSDZZQKB-SFHVURJKSA-N 2 2 331.504 2.209 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001500233591 1112692285 /nfs/dbraw/zinc/69/22/85/1112692285.db2.gz HNPWIJDQNSLLDG-LPHOPBHVSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001500233591 1112692287 /nfs/dbraw/zinc/69/22/87/1112692287.db2.gz HNPWIJDQNSLLDG-LPHOPBHVSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001501093177 1113196677 /nfs/dbraw/zinc/19/66/77/1113196677.db2.gz WYVLZRLTZIIQDC-KUZNAAJDSA-N 2 2 338.455 2.423 10 0 EEAELP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001501196017 1113237183 /nfs/dbraw/zinc/23/71/83/1113237183.db2.gz NFVJATCTABORMO-QGZVFWFLSA-N 2 2 326.444 2.084 10 0 EEAELP C[C@H]([NH2+]CCF)c1ccc(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001501677521 1113429703 /nfs/dbraw/zinc/42/97/03/1113429703.db2.gz YVCDWWRHDZYWOC-WMLDXEAASA-N 2 2 344.434 2.382 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccsc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001502348631 1113639119 /nfs/dbraw/zinc/63/91/19/1113639119.db2.gz YHIOBLWOVPXTRR-MRXNPFEDSA-N 2 2 346.500 2.488 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccsc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001502348631 1113639120 /nfs/dbraw/zinc/63/91/20/1113639120.db2.gz YHIOBLWOVPXTRR-MRXNPFEDSA-N 2 2 346.500 2.488 10 0 EEAELP CCCCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001502872673 1113839133 /nfs/dbraw/zinc/83/91/33/1113839133.db2.gz BQTZGKZKCPQPFW-HZPDHXFCSA-N 2 2 348.491 2.037 10 0 EEAELP CCCCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001502872673 1113839135 /nfs/dbraw/zinc/83/91/35/1113839135.db2.gz BQTZGKZKCPQPFW-HZPDHXFCSA-N 2 2 348.491 2.037 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505660038 1114115869 /nfs/dbraw/zinc/11/58/69/1114115869.db2.gz JUWPGSBACIVUKT-NEPJUHHUSA-N 2 2 349.504 2.109 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001506013240 1114344356 /nfs/dbraw/zinc/34/43/56/1114344356.db2.gz VZHKVECMWMOUGA-ZDUSSCGKSA-N 2 2 349.504 2.408 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001506013240 1114344361 /nfs/dbraw/zinc/34/43/61/1114344361.db2.gz VZHKVECMWMOUGA-ZDUSSCGKSA-N 2 2 349.504 2.408 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@H]2CC[C@@H](C)O2)CCCCC1 ZINC001506521104 1114670454 /nfs/dbraw/zinc/67/04/54/1114670454.db2.gz BGSMVJDEUJEOOP-GDBMZVCRSA-N 2 2 348.491 2.237 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@H+](C)Cc1c(C)noc1C)C(C)C ZINC001507819732 1115352232 /nfs/dbraw/zinc/35/22/32/1115352232.db2.gz RLXHGADXDYUAFC-UHFFFAOYSA-N 2 2 347.463 2.165 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@@H+](C)Cc1c(C)noc1C)C(C)C ZINC001507819732 1115352234 /nfs/dbraw/zinc/35/22/34/1115352234.db2.gz RLXHGADXDYUAFC-UHFFFAOYSA-N 2 2 347.463 2.165 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001567927284 1124185580 /nfs/dbraw/zinc/18/55/80/1124185580.db2.gz JAPDHVYLIWIXHA-HNNXBMFYSA-N 2 2 338.883 2.110 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001567927284 1124185586 /nfs/dbraw/zinc/18/55/86/1124185586.db2.gz JAPDHVYLIWIXHA-HNNXBMFYSA-N 2 2 338.883 2.110 10 0 EEAELP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001567927284 1124185591 /nfs/dbraw/zinc/18/55/91/1124185591.db2.gz JAPDHVYLIWIXHA-HNNXBMFYSA-N 2 2 338.883 2.110 10 0 EEAELP CCC[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001567927284 1124185596 /nfs/dbraw/zinc/18/55/96/1124185596.db2.gz JAPDHVYLIWIXHA-HNNXBMFYSA-N 2 2 338.883 2.110 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001567943556 1124197120 /nfs/dbraw/zinc/19/71/20/1124197120.db2.gz CJSFDAGEBLTUQS-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001567943556 1124197125 /nfs/dbraw/zinc/19/71/25/1124197125.db2.gz CJSFDAGEBLTUQS-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001568633868 1124648372 /nfs/dbraw/zinc/64/83/72/1124648372.db2.gz PAIGFSCUUGLREB-KSSFIOAISA-N 2 2 347.507 2.465 10 0 EEAELP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001568633868 1124648374 /nfs/dbraw/zinc/64/83/74/1124648374.db2.gz PAIGFSCUUGLREB-KSSFIOAISA-N 2 2 347.507 2.465 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001568683269 1124696262 /nfs/dbraw/zinc/69/62/62/1124696262.db2.gz UZPHVEODXWWZCN-UONOGXRCSA-N 2 2 333.411 2.053 10 0 EEAELP CCc1ccc(C[NH2+]CC[C@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC001568699477 1124714013 /nfs/dbraw/zinc/71/40/13/1124714013.db2.gz RHEMQLHLLPETLK-HNNXBMFYSA-N 2 2 328.460 2.210 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C)c1cccc(F)c1 ZINC001568949593 1124983119 /nfs/dbraw/zinc/98/31/19/1124983119.db2.gz FIBTXKUKKASRKG-VQTKUKTRSA-N 2 2 330.407 2.125 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1cc(C)ccc1F ZINC001568953435 1124988770 /nfs/dbraw/zinc/98/87/70/1124988770.db2.gz DGZNVMHLYIMONG-ONEGZZNKSA-N 2 2 330.407 2.170 10 0 EEAELP CC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1CC(F)F ZINC000153759325 529397118 /nfs/dbraw/zinc/39/71/18/529397118.db2.gz ZHKKFIZSDLTBKF-OAHLLOKOSA-N 2 2 335.402 2.429 10 0 EEAELP CC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1CC(F)F ZINC000153759325 529397121 /nfs/dbraw/zinc/39/71/21/529397121.db2.gz ZHKKFIZSDLTBKF-OAHLLOKOSA-N 2 2 335.402 2.429 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCn2cnnc2C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422912583 240288840 /nfs/dbraw/zinc/28/88/40/240288840.db2.gz NLYUXIIYIZWPRC-QZTJIDSGSA-N 2 2 341.459 2.247 10 0 EEAELP COC(=O)[C@H](C1CC1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459490405 245141452 /nfs/dbraw/zinc/14/14/52/245141452.db2.gz YEEXRUZMTOLCTM-SFHVURJKSA-N 2 2 325.412 2.308 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](c2ccccc2)C1 ZINC000271346935 256235863 /nfs/dbraw/zinc/23/58/63/256235863.db2.gz VGVIJMUTLZRQHG-LJQANCHMSA-N 2 2 347.422 2.396 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H](c2ccccc2)C1 ZINC000271346935 256235864 /nfs/dbraw/zinc/23/58/64/256235864.db2.gz VGVIJMUTLZRQHG-LJQANCHMSA-N 2 2 347.422 2.396 10 0 EEAELP COC[C@H](Cc1ccccc1)[NH2+][C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275441011 257994152 /nfs/dbraw/zinc/99/41/52/257994152.db2.gz FWRGLBGBEJYBND-JENIJYKNSA-N 2 2 329.444 2.488 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1CC ZINC000116768496 152062052 /nfs/dbraw/zinc/06/20/52/152062052.db2.gz LGFDZARTQWVXRV-RTBURBONSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1CC ZINC000116768496 152062056 /nfs/dbraw/zinc/06/20/56/152062056.db2.gz LGFDZARTQWVXRV-RTBURBONSA-N 2 2 347.503 2.249 10 0 EEAELP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000173782481 152198674 /nfs/dbraw/zinc/19/86/74/152198674.db2.gz GTQXKFVUQCUHTQ-GJZGRUSLSA-N 2 2 349.441 2.451 10 0 EEAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000173782481 152198678 /nfs/dbraw/zinc/19/86/78/152198678.db2.gz GTQXKFVUQCUHTQ-GJZGRUSLSA-N 2 2 349.441 2.451 10 0 EEAELP [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000262664792 152304476 /nfs/dbraw/zinc/30/44/76/152304476.db2.gz IVLQJMDNXKTHNB-MJBXVCDLSA-N 2 2 337.414 2.173 10 0 EEAELP [NH3+][C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000262664792 152304480 /nfs/dbraw/zinc/30/44/80/152304480.db2.gz IVLQJMDNXKTHNB-MJBXVCDLSA-N 2 2 337.414 2.173 10 0 EEAELP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211181 154005470 /nfs/dbraw/zinc/00/54/70/154005470.db2.gz YYNGSCFTVLXMCM-CQSZACIVSA-N 2 2 342.443 2.303 10 0 EEAELP COc1ccc(OC)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000374322440 154050792 /nfs/dbraw/zinc/05/07/92/154050792.db2.gz CZZOZLDOGHXFMO-QFBILLFUSA-N 2 2 347.503 2.162 10 0 EEAELP COc1ccc(OC)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000374322440 154050797 /nfs/dbraw/zinc/05/07/97/154050797.db2.gz CZZOZLDOGHXFMO-QFBILLFUSA-N 2 2 347.503 2.162 10 0 EEAELP CN(Cc1ccco1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767031 159069092 /nfs/dbraw/zinc/06/90/92/159069092.db2.gz DMTJRNTZTFUMDC-UHFFFAOYSA-N 2 2 348.491 2.371 10 0 EEAELP C[C@H]1CCC[C@](CNC(=O)NCc2ccc[nH+]c2N(C)C)([NH+](C)C)C1 ZINC000080322403 159140837 /nfs/dbraw/zinc/14/08/37/159140837.db2.gz UBRXUZSJPNCRCU-KXBFYZLASA-N 2 2 347.507 2.457 10 0 EEAELP Cc1cn2c(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)c(C)nc2s1 ZINC000093665155 159238427 /nfs/dbraw/zinc/23/84/27/159238427.db2.gz JBYRRKVZJQDFEP-HNNXBMFYSA-N 2 2 334.489 2.167 10 0 EEAELP Cc1cn2c(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)c(C)nc2s1 ZINC000093665155 159238428 /nfs/dbraw/zinc/23/84/28/159238428.db2.gz JBYRRKVZJQDFEP-HNNXBMFYSA-N 2 2 334.489 2.167 10 0 EEAELP C[N@H+](CCOc1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863065 159310152 /nfs/dbraw/zinc/31/01/52/159310152.db2.gz SLVBGGYLNLFHCZ-UHFFFAOYSA-N 2 2 346.450 2.497 10 0 EEAELP C[N@@H+](CCOc1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863065 159310155 /nfs/dbraw/zinc/31/01/55/159310155.db2.gz SLVBGGYLNLFHCZ-UHFFFAOYSA-N 2 2 346.450 2.497 10 0 EEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186528070 160073586 /nfs/dbraw/zinc/07/35/86/160073586.db2.gz SWZMIVFKOQLLDJ-INIZCTEOSA-N 2 2 333.480 2.034 10 0 EEAELP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)C1CCOCC1 ZINC000187788133 160108890 /nfs/dbraw/zinc/10/88/90/160108890.db2.gz UHNGXBBRYKNHMC-LJQANCHMSA-N 2 2 333.476 2.077 10 0 EEAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000247275842 160317672 /nfs/dbraw/zinc/31/76/72/160317672.db2.gz KCNILHSWMURNNB-JKSUJKDBSA-N 2 2 333.480 2.302 10 0 EEAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000247275842 160317673 /nfs/dbraw/zinc/31/76/73/160317673.db2.gz KCNILHSWMURNNB-JKSUJKDBSA-N 2 2 333.480 2.302 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247979196 160335483 /nfs/dbraw/zinc/33/54/83/160335483.db2.gz IDFHRHNVSMESEO-SJLPKXTDSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247979196 160335485 /nfs/dbraw/zinc/33/54/85/160335485.db2.gz IDFHRHNVSMESEO-SJLPKXTDSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247979196 160335487 /nfs/dbraw/zinc/33/54/87/160335487.db2.gz IDFHRHNVSMESEO-SJLPKXTDSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247979196 160335489 /nfs/dbraw/zinc/33/54/89/160335489.db2.gz IDFHRHNVSMESEO-SJLPKXTDSA-N 2 2 333.451 2.200 10 0 EEAELP CSCC[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C(=O)N(C)C ZINC000342286469 161053815 /nfs/dbraw/zinc/05/38/15/161053815.db2.gz HCOBOWAABXOSEV-AWEZNQCLSA-N 2 2 338.502 2.233 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)CS(C)(=O)=O ZINC000342375409 161060769 /nfs/dbraw/zinc/06/07/69/161060769.db2.gz NBYYRBPIUBEPGT-DLBZAZTESA-N 2 2 330.538 2.255 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)CS(C)(=O)=O ZINC000342375409 161060770 /nfs/dbraw/zinc/06/07/70/161060770.db2.gz NBYYRBPIUBEPGT-DLBZAZTESA-N 2 2 330.538 2.255 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)OCO2 ZINC000344690276 161236423 /nfs/dbraw/zinc/23/64/23/161236423.db2.gz WWMYZUQPFYZOHV-ZFWWWQNUSA-N 2 2 336.432 2.013 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)OCO2 ZINC000344690276 161236424 /nfs/dbraw/zinc/23/64/24/161236424.db2.gz WWMYZUQPFYZOHV-ZFWWWQNUSA-N 2 2 336.432 2.013 10 0 EEAELP Cc1sccc1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000345590388 161314213 /nfs/dbraw/zinc/31/42/13/161314213.db2.gz SOXUCJNRBFMXKG-UHFFFAOYSA-N 2 2 335.517 2.274 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000358962070 164024366 /nfs/dbraw/zinc/02/43/66/164024366.db2.gz XPIFJSJOPODEOB-FUHWJXTLSA-N 2 2 330.476 2.161 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000358962070 164024368 /nfs/dbraw/zinc/02/43/68/164024368.db2.gz XPIFJSJOPODEOB-FUHWJXTLSA-N 2 2 330.476 2.161 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(N2CCOCC2)c1 ZINC000453255941 287037632 /nfs/dbraw/zinc/03/76/32/287037632.db2.gz FUZUINWURYBFGO-YLJYHZDGSA-N 2 2 347.503 2.021 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(N2CCOCC2)c1 ZINC000453255941 287037634 /nfs/dbraw/zinc/03/76/34/287037634.db2.gz FUZUINWURYBFGO-YLJYHZDGSA-N 2 2 347.503 2.021 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000368296324 166084497 /nfs/dbraw/zinc/08/44/97/166084497.db2.gz MMIMVUWQWXCNHQ-SFHVURJKSA-N 2 2 326.444 2.302 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368296324 166084498 /nfs/dbraw/zinc/08/44/98/166084498.db2.gz MMIMVUWQWXCNHQ-SFHVURJKSA-N 2 2 326.444 2.302 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000369742833 166325256 /nfs/dbraw/zinc/32/52/56/166325256.db2.gz VKAAMQILMXTWAN-CZUORRHYSA-N 2 2 347.488 2.364 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000369742833 166325257 /nfs/dbraw/zinc/32/52/57/166325257.db2.gz VKAAMQILMXTWAN-CZUORRHYSA-N 2 2 347.488 2.364 10 0 EEAELP COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000123953345 222357276 /nfs/dbraw/zinc/35/72/76/222357276.db2.gz FNQXZSDBVYUBRA-KGLIPLIRSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(OC)c1 ZINC000123953345 222357279 /nfs/dbraw/zinc/35/72/79/222357279.db2.gz FNQXZSDBVYUBRA-KGLIPLIRSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(OC)c1 ZINC000123953345 222357280 /nfs/dbraw/zinc/35/72/80/222357280.db2.gz FNQXZSDBVYUBRA-KGLIPLIRSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OC)c1 ZINC000123953345 222357282 /nfs/dbraw/zinc/35/72/82/222357282.db2.gz FNQXZSDBVYUBRA-KGLIPLIRSA-N 2 2 335.448 2.057 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000279262936 274464438 /nfs/dbraw/zinc/46/44/38/274464438.db2.gz IKOAAJANBSHGQZ-QGZVFWFLSA-N 2 2 345.487 2.075 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cn2ccccc2n1 ZINC000288673590 275080274 /nfs/dbraw/zinc/08/02/74/275080274.db2.gz WMPBGHPHHRUEPT-UHFFFAOYSA-N 2 2 339.443 2.350 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052204 275368334 /nfs/dbraw/zinc/36/83/34/275368334.db2.gz BRLATMSJQXZOGR-SJLPKXTDSA-N 2 2 333.863 2.473 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052204 275368335 /nfs/dbraw/zinc/36/83/35/275368335.db2.gz BRLATMSJQXZOGR-SJLPKXTDSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052204 275368337 /nfs/dbraw/zinc/36/83/37/275368337.db2.gz BRLATMSJQXZOGR-SJLPKXTDSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052204 275368339 /nfs/dbraw/zinc/36/83/39/275368339.db2.gz BRLATMSJQXZOGR-SJLPKXTDSA-N 2 2 333.863 2.473 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292103610 275376725 /nfs/dbraw/zinc/37/67/25/275376725.db2.gz IHBNIDPWQBRQOP-KXBFYZLASA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292103610 275376727 /nfs/dbraw/zinc/37/67/27/275376727.db2.gz IHBNIDPWQBRQOP-KXBFYZLASA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292103610 275376730 /nfs/dbraw/zinc/37/67/30/275376730.db2.gz IHBNIDPWQBRQOP-KXBFYZLASA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292103610 275376731 /nfs/dbraw/zinc/37/67/31/275376731.db2.gz IHBNIDPWQBRQOP-KXBFYZLASA-N 2 2 331.460 2.440 10 0 EEAELP C[C@H](C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262422576 298195900 /nfs/dbraw/zinc/19/59/00/298195900.db2.gz RXFVFJZVBOYETH-ZNMIVQPWSA-N 2 2 331.460 2.090 10 0 EEAELP C[C@H](C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1C[NH2+]C1 ZINC000262422576 298195902 /nfs/dbraw/zinc/19/59/02/298195902.db2.gz RXFVFJZVBOYETH-ZNMIVQPWSA-N 2 2 331.460 2.090 10 0 EEAELP Cc1nc2ccccc2n1CCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422768205 302666457 /nfs/dbraw/zinc/66/64/57/302666457.db2.gz ZEGAQSXKGUTHDI-OALUTQOASA-N 2 2 328.460 2.091 10 0 EEAELP Cc1cc(C)c(NC(=O)N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)[nH+]1 ZINC000333158046 312102848 /nfs/dbraw/zinc/10/28/48/312102848.db2.gz GTBZOTIIZYQPQS-CZUORRHYSA-N 2 2 332.448 2.191 10 0 EEAELP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H](c1ccccc1)N1CCOCC1 ZINC000414127129 312973203 /nfs/dbraw/zinc/97/32/03/312973203.db2.gz PODOONZBGXFSIE-VQIMIIECSA-N 2 2 328.460 2.014 10 0 EEAELP CC[C@@H]([NH3+])CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000417908027 313645136 /nfs/dbraw/zinc/64/51/36/313645136.db2.gz ATRSGOZOLOGCHE-NVXWUHKLSA-N 2 2 329.448 2.278 10 0 EEAELP CCC[NH2+]CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418467482 313821862 /nfs/dbraw/zinc/82/18/62/313821862.db2.gz FXNZQKVJYKVNFL-HNNXBMFYSA-N 2 2 333.480 2.108 10 0 EEAELP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528364651 317368585 /nfs/dbraw/zinc/36/85/85/317368585.db2.gz JADZGGBOWCBDAW-IRXDYDNUSA-N 2 2 349.494 2.308 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N(C)CCC[NH+](C)C)cn2c1 ZINC000539416546 318055575 /nfs/dbraw/zinc/05/55/75/318055575.db2.gz MKJNPJXXCKBNTP-UHFFFAOYSA-N 2 2 334.489 2.286 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1=O ZINC000544015850 318178557 /nfs/dbraw/zinc/17/85/57/318178557.db2.gz LWXKJOCQDATLET-CMPFZWEDSA-N 2 2 342.487 2.325 10 0 EEAELP CN1C(=O)C[C@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000562338651 318870674 /nfs/dbraw/zinc/87/06/74/318870674.db2.gz SHGOGUIGROLPAZ-HOCLYGCPSA-N 2 2 336.798 2.237 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000563363264 319000865 /nfs/dbraw/zinc/00/08/65/319000865.db2.gz GIVTVPLDFURJNB-SFHVURJKSA-N 2 2 348.487 2.040 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2ccccc2C(=O)OC)CC1 ZINC000563363264 319000867 /nfs/dbraw/zinc/00/08/67/319000867.db2.gz GIVTVPLDFURJNB-SFHVURJKSA-N 2 2 348.487 2.040 10 0 EEAELP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000563955531 319059062 /nfs/dbraw/zinc/05/90/62/319059062.db2.gz KDJBAACUUYZUGT-TZMCWYRMSA-N 2 2 337.414 2.186 10 0 EEAELP C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000563955531 319059065 /nfs/dbraw/zinc/05/90/65/319059065.db2.gz KDJBAACUUYZUGT-TZMCWYRMSA-N 2 2 337.414 2.186 10 0 EEAELP C[C@@H](OC[C@@H](O)C[NH2+]CCc1cn(C)c[nH+]1)c1ccc(Cl)cc1 ZINC000567043356 319342448 /nfs/dbraw/zinc/34/24/48/319342448.db2.gz RREMPYWUCSFBKG-DYVFJYSZSA-N 2 2 337.851 2.344 10 0 EEAELP CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000567417319 319378019 /nfs/dbraw/zinc/37/80/19/319378019.db2.gz ZOEGDIFOFSDBME-OAHLLOKOSA-N 2 2 332.492 2.486 10 0 EEAELP CC[NH+]1CCC(CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000567417319 319378021 /nfs/dbraw/zinc/37/80/21/319378021.db2.gz ZOEGDIFOFSDBME-OAHLLOKOSA-N 2 2 332.492 2.486 10 0 EEAELP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000567572496 319391857 /nfs/dbraw/zinc/39/18/57/319391857.db2.gz AVMHJRDLGJCVIY-HZPDHXFCSA-N 2 2 345.491 2.108 10 0 EEAELP c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@@]4(CC[NH2+]C4)C3)c12 ZINC000574863165 320063695 /nfs/dbraw/zinc/06/36/95/320063695.db2.gz DGQLAUHETZCZBM-IBGZPJMESA-N 2 2 334.427 2.395 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C ZINC000574926728 320071961 /nfs/dbraw/zinc/07/19/61/320071961.db2.gz LOKWRSUSFMVOKQ-ZVZYQTTQSA-N 2 2 332.492 2.057 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C ZINC000574926728 320071963 /nfs/dbraw/zinc/07/19/63/320071963.db2.gz LOKWRSUSFMVOKQ-ZVZYQTTQSA-N 2 2 332.492 2.057 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCC(CC[NH3+])CC2)nc(C(C)C)[nH+]1 ZINC000529365610 448842198 /nfs/dbraw/zinc/84/21/98/448842198.db2.gz GPAQKQMXFHTSGD-UHFFFAOYSA-N 2 2 348.495 2.091 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H](C)CCCC[NH3+])nc(C(C)C)[nH+]1 ZINC000627093796 451121409 /nfs/dbraw/zinc/12/14/09/451121409.db2.gz TYFJLADXUBQBET-ZDUSSCGKSA-N 2 2 336.484 2.137 10 0 EEAELP Cc1nc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)cc[nH+]1 ZINC000184768501 465025153 /nfs/dbraw/zinc/02/51/53/465025153.db2.gz SDVCQJJXSGMORN-UHFFFAOYSA-N 2 2 334.427 2.497 10 0 EEAELP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000336878419 465072565 /nfs/dbraw/zinc/07/25/65/465072565.db2.gz FGRMGHUCNCUXOC-QAPCUYQASA-N 2 2 334.460 2.296 10 0 EEAELP COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000336878419 465072572 /nfs/dbraw/zinc/07/25/72/465072572.db2.gz FGRMGHUCNCUXOC-QAPCUYQASA-N 2 2 334.460 2.296 10 0 EEAELP COc1ccc(OC)c([C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000336878419 465072577 /nfs/dbraw/zinc/07/25/77/465072577.db2.gz FGRMGHUCNCUXOC-QAPCUYQASA-N 2 2 334.460 2.296 10 0 EEAELP COc1ccc(OC)c([C@@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000336878419 465072586 /nfs/dbraw/zinc/07/25/86/465072586.db2.gz FGRMGHUCNCUXOC-QAPCUYQASA-N 2 2 334.460 2.296 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1cn2ccccc2[nH+]1 ZINC000341373561 465135583 /nfs/dbraw/zinc/13/55/83/465135583.db2.gz BQUNMUTWIWBEKZ-HUUCEWRRSA-N 2 2 329.448 2.396 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CC[NH+](Cc3ccncc3)CC2)CCCCC1 ZINC000358736453 465292537 /nfs/dbraw/zinc/29/25/37/465292537.db2.gz RZZGQGAZUAXRPM-UHFFFAOYSA-N 2 2 344.503 2.238 10 0 EEAELP CC[C@@H](C)n1ncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000358763195 465308196 /nfs/dbraw/zinc/30/81/96/465308196.db2.gz BHHLAEXHNIXMDJ-OAHLLOKOSA-N 2 2 349.523 2.261 10 0 EEAELP CC[C@@H](C)n1ncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000358763195 465308201 /nfs/dbraw/zinc/30/82/01/465308201.db2.gz BHHLAEXHNIXMDJ-OAHLLOKOSA-N 2 2 349.523 2.261 10 0 EEAELP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337446550 465374020 /nfs/dbraw/zinc/37/40/20/465374020.db2.gz QLYQKAVDHVUKTQ-MRXNPFEDSA-N 2 2 330.476 2.267 10 0 EEAELP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337446550 465374023 /nfs/dbraw/zinc/37/40/23/465374023.db2.gz QLYQKAVDHVUKTQ-MRXNPFEDSA-N 2 2 330.476 2.267 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000074102580 462555243 /nfs/dbraw/zinc/55/52/43/462555243.db2.gz JLWJFVQHEYKVDE-MRXNPFEDSA-N 2 2 335.496 2.459 10 0 EEAELP Cc1[nH+]cc(CN2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)n1-c1ccccc1 ZINC000120621298 463020416 /nfs/dbraw/zinc/02/04/16/463020416.db2.gz LSXLWDLRVIMUAU-HZPDHXFCSA-N 2 2 328.460 2.068 10 0 EEAELP Cc1[nH+]cc(CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)n1-c1ccccc1 ZINC000120621298 463020419 /nfs/dbraw/zinc/02/04/19/463020419.db2.gz LSXLWDLRVIMUAU-HZPDHXFCSA-N 2 2 328.460 2.068 10 0 EEAELP Cc1cc(F)ccc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121051760 463071545 /nfs/dbraw/zinc/07/15/45/463071545.db2.gz GEQIKYJZFAPLAI-FQEVSTJZSA-N 2 2 349.494 2.361 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000052520681 463085967 /nfs/dbraw/zinc/08/59/67/463085967.db2.gz WQONTKGNHVBSLI-JKSUJKDBSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000052520681 463085970 /nfs/dbraw/zinc/08/59/70/463085970.db2.gz WQONTKGNHVBSLI-JKSUJKDBSA-N 2 2 345.422 2.042 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3CCC([NH+]4CCCC4)CC3)cn21 ZINC000069479295 463255423 /nfs/dbraw/zinc/25/54/23/463255423.db2.gz FJHARMBDVAYVSY-UHFFFAOYSA-N 2 2 341.459 2.413 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000105876152 463484799 /nfs/dbraw/zinc/48/47/99/463484799.db2.gz NRKYUWAFJQGXNF-QGZVFWFLSA-N 2 2 330.407 2.040 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151276520 463504878 /nfs/dbraw/zinc/50/48/78/463504878.db2.gz IUEKWMPKAJDMOD-HKUYNNGSSA-N 3 2 349.519 2.124 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[N@H+](C)C3)c[nH+]2)CC1 ZINC000057820551 463520932 /nfs/dbraw/zinc/52/09/32/463520932.db2.gz GPXLJMRTUGSTML-QGZVFWFLSA-N 2 2 345.491 2.211 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](C)C3)c[nH+]2)CC1 ZINC000057820551 463520939 /nfs/dbraw/zinc/52/09/39/463520939.db2.gz GPXLJMRTUGSTML-QGZVFWFLSA-N 2 2 345.491 2.211 10 0 EEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000106904498 463549254 /nfs/dbraw/zinc/54/92/54/463549254.db2.gz IFMCXRAGOJQYPQ-GOSISDBHSA-N 2 2 349.438 2.056 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000579489046 468367295 /nfs/dbraw/zinc/36/72/95/468367295.db2.gz GUMWUIUGVYJOBS-DLBZAZTESA-N 2 2 326.868 2.320 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000579489046 468367301 /nfs/dbraw/zinc/36/73/01/468367301.db2.gz GUMWUIUGVYJOBS-DLBZAZTESA-N 2 2 326.868 2.320 10 0 EEAELP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1F ZINC000043631405 463649207 /nfs/dbraw/zinc/64/92/07/463649207.db2.gz KOVWETLZNONUNN-UHFFFAOYSA-N 2 2 337.414 2.140 10 0 EEAELP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1F ZINC000043631405 463649212 /nfs/dbraw/zinc/64/92/12/463649212.db2.gz KOVWETLZNONUNN-UHFFFAOYSA-N 2 2 337.414 2.140 10 0 EEAELP C[C@H](C(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000167319253 463662736 /nfs/dbraw/zinc/66/27/36/463662736.db2.gz DOHHMIKUVMRTGT-QXAKKESOSA-N 2 2 345.487 2.036 10 0 EEAELP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(-n2cccn2)cc1 ZINC000269039604 463854389 /nfs/dbraw/zinc/85/43/89/463854389.db2.gz UYVIWMOMKXHDCK-DLBZAZTESA-N 2 2 328.460 2.491 10 0 EEAELP C[C@@]1(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261890540 463890343 /nfs/dbraw/zinc/89/03/43/463890343.db2.gz TUOZWVOXQNPBKX-GOSISDBHSA-N 2 2 335.879 2.026 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1F ZINC000261895744 463891551 /nfs/dbraw/zinc/89/15/51/463891551.db2.gz HCDDWEZUYFERSA-QRQLOZEOSA-N 3 2 335.467 2.134 10 0 EEAELP Cn1c2ccccc2nc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174886304 464463405 /nfs/dbraw/zinc/46/34/05/464463405.db2.gz LVRSMGUHGJYKBL-QGZVFWFLSA-N 2 2 341.503 2.175 10 0 EEAELP Cn1c2ccccc2nc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174886304 464463412 /nfs/dbraw/zinc/46/34/12/464463412.db2.gz LVRSMGUHGJYKBL-QGZVFWFLSA-N 2 2 341.503 2.175 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721625 464609275 /nfs/dbraw/zinc/60/92/75/464609275.db2.gz GBSHALBEIXJXCB-CRAIPNDOSA-N 2 2 335.467 2.446 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721625 464609283 /nfs/dbraw/zinc/60/92/83/464609283.db2.gz GBSHALBEIXJXCB-CRAIPNDOSA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721625 464609291 /nfs/dbraw/zinc/60/92/91/464609291.db2.gz GBSHALBEIXJXCB-CRAIPNDOSA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721625 464609296 /nfs/dbraw/zinc/60/92/96/464609296.db2.gz GBSHALBEIXJXCB-CRAIPNDOSA-N 2 2 335.467 2.446 10 0 EEAELP COc1ccnc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1OC ZINC000190592512 464683187 /nfs/dbraw/zinc/68/31/87/464683187.db2.gz UYRONEVDVDAWOW-AWEZNQCLSA-N 2 2 328.416 2.428 10 0 EEAELP COc1ccnc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1OC ZINC000190592512 464683192 /nfs/dbraw/zinc/68/31/92/464683192.db2.gz UYRONEVDVDAWOW-AWEZNQCLSA-N 2 2 328.416 2.428 10 0 EEAELP Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000275410378 464772773 /nfs/dbraw/zinc/77/27/73/464772773.db2.gz CYUBSLKVTOJLSA-PKOBYXMFSA-N 2 2 341.459 2.294 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266740579 464804958 /nfs/dbraw/zinc/80/49/58/464804958.db2.gz LUKUZEBOVIZAOA-UHFFFAOYSA-N 2 2 342.443 2.304 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266762476 464814549 /nfs/dbraw/zinc/81/45/49/464814549.db2.gz PLTUEKQHHUXEEM-SJORKVTESA-N 2 2 341.459 2.411 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266762476 464814554 /nfs/dbraw/zinc/81/45/54/464814554.db2.gz PLTUEKQHHUXEEM-SJORKVTESA-N 2 2 341.459 2.411 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C(C)C)n2C)[C@@H](C)C1 ZINC000249266138 464857354 /nfs/dbraw/zinc/85/73/54/464857354.db2.gz INIXUHARJHCNIB-JKSUJKDBSA-N 2 2 337.512 2.165 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C(C)C)n2C)[C@@H](C)C1 ZINC000249266138 464857359 /nfs/dbraw/zinc/85/73/59/464857359.db2.gz INIXUHARJHCNIB-JKSUJKDBSA-N 2 2 337.512 2.165 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192735850 464987616 /nfs/dbraw/zinc/98/76/16/464987616.db2.gz YHMUYONUFHCGCC-IBGZPJMESA-N 3 2 347.551 2.499 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192735850 464987621 /nfs/dbraw/zinc/98/76/21/464987621.db2.gz YHMUYONUFHCGCC-IBGZPJMESA-N 3 2 347.551 2.499 10 0 EEAELP CC(C)[C@H]1CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000343701600 465544246 /nfs/dbraw/zinc/54/42/46/465544246.db2.gz WIJOQYYUGCGWKO-QGZVFWFLSA-N 2 2 336.524 2.377 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371274507 465679335 /nfs/dbraw/zinc/67/93/35/465679335.db2.gz VYMZWXLNVUWOPX-IRXDYDNUSA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000371274507 465679342 /nfs/dbraw/zinc/67/93/42/465679342.db2.gz VYMZWXLNVUWOPX-IRXDYDNUSA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371274507 465679350 /nfs/dbraw/zinc/67/93/50/465679350.db2.gz VYMZWXLNVUWOPX-IRXDYDNUSA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000371274507 465679357 /nfs/dbraw/zinc/67/93/57/465679357.db2.gz VYMZWXLNVUWOPX-IRXDYDNUSA-N 2 2 338.455 2.295 10 0 EEAELP Cc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340107778 465772796 /nfs/dbraw/zinc/77/27/96/465772796.db2.gz YMQCGCIFAGZOHW-SFHVURJKSA-N 2 2 341.455 2.260 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000300689728 465891984 /nfs/dbraw/zinc/89/19/84/465891984.db2.gz JAWLTNSIYHVKKP-RYUDHWBXSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000300689728 465891992 /nfs/dbraw/zinc/89/19/92/465891992.db2.gz JAWLTNSIYHVKKP-RYUDHWBXSA-N 2 2 333.259 2.417 10 0 EEAELP CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362673851 465929221 /nfs/dbraw/zinc/92/92/21/465929221.db2.gz BZDNVZOODWVBFP-MRXNPFEDSA-N 2 2 343.462 2.439 10 0 EEAELP CN(C(=O)C1CCC(F)(F)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362673851 465929226 /nfs/dbraw/zinc/92/92/26/465929226.db2.gz BZDNVZOODWVBFP-MRXNPFEDSA-N 2 2 343.462 2.439 10 0 EEAELP 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/nfs/dbraw/zinc/48/97/42/466489742.db2.gz ZLUPTOOCZKPVBO-OALUTQOASA-N 2 2 345.487 2.049 10 0 EEAELP CCc1noc(C)c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000368461186 466643364 /nfs/dbraw/zinc/64/33/64/466643364.db2.gz HFPBQIDNTUBJNI-SJPCQFCGSA-N 2 2 332.492 2.288 10 0 EEAELP CCc1noc(C)c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000368461186 466643367 /nfs/dbraw/zinc/64/33/67/466643367.db2.gz HFPBQIDNTUBJNI-SJPCQFCGSA-N 2 2 332.492 2.288 10 0 EEAELP CCc1noc(C)c1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000368461186 466643372 /nfs/dbraw/zinc/64/33/72/466643372.db2.gz HFPBQIDNTUBJNI-SJPCQFCGSA-N 2 2 332.492 2.288 10 0 EEAELP CCc1noc(C)c1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000368461186 466643375 /nfs/dbraw/zinc/64/33/75/466643375.db2.gz HFPBQIDNTUBJNI-SJPCQFCGSA-N 2 2 332.492 2.288 10 0 EEAELP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000324583664 466648250 /nfs/dbraw/zinc/64/82/50/466648250.db2.gz BNSJTNIAGIHPFG-SJLPKXTDSA-N 2 2 333.451 2.214 10 0 EEAELP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000324583664 466648254 /nfs/dbraw/zinc/64/82/54/466648254.db2.gz BNSJTNIAGIHPFG-SJLPKXTDSA-N 2 2 333.451 2.214 10 0 EEAELP O[C@H](C[NH+]1CCS[C@H]2CCC[C@@H]21)C[N@@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000408514950 466671474 /nfs/dbraw/zinc/67/14/74/466671474.db2.gz GTRNAQGREGZNEI-VIQHNZTISA-N 2 2 342.574 2.287 10 0 EEAELP O[C@H](C[NH+]1CCS[C@H]2CCC[C@@H]21)C[N@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000408514950 466671479 /nfs/dbraw/zinc/67/14/79/466671479.db2.gz GTRNAQGREGZNEI-VIQHNZTISA-N 2 2 342.574 2.287 10 0 EEAELP O[C@@H](C[NH+]1CCS[C@@H]2CCC[C@@H]21)C[N@@H+]1CCS[C@H]2CCC[C@@H]21 ZINC000408514950 466671481 /nfs/dbraw/zinc/67/14/81/466671481.db2.gz GTRNAQGREGZNEI-VIQHNZTISA-N 2 2 342.574 2.287 10 0 EEAELP O[C@@H](C[NH+]1CCS[C@@H]2CCC[C@@H]21)C[N@H+]1CCS[C@H]2CCC[C@@H]21 ZINC000408514950 466671484 /nfs/dbraw/zinc/67/14/84/466671484.db2.gz GTRNAQGREGZNEI-VIQHNZTISA-N 2 2 342.574 2.287 10 0 EEAELP COc1cccc2c1CC[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)C2 ZINC000423224526 466699245 /nfs/dbraw/zinc/69/92/45/466699245.db2.gz CHCSSTAKGCTLPA-MRXNPFEDSA-N 2 2 338.455 2.469 10 0 EEAELP CCOC(=O)[C@@H]1CC[C@@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@@H]1C ZINC000423238037 466701910 /nfs/dbraw/zinc/70/19/10/466701910.db2.gz UXYKYXGESQWBPB-ZMSDIMECSA-N 2 2 346.475 2.271 10 0 EEAELP COCC[NH2+]CC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423340070 466723131 /nfs/dbraw/zinc/72/31/31/466723131.db2.gz SRYKVROZDXWEST-CYBMUJFWSA-N 2 2 331.229 2.401 10 0 EEAELP COCC1(C[NH2+][C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423405929 466740636 /nfs/dbraw/zinc/74/06/36/466740636.db2.gz JVKRXYUCELRCSV-RTBURBONSA-N 3 2 347.503 2.094 10 0 EEAELP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1OCC(=O)N(C)C ZINC000423559218 466773616 /nfs/dbraw/zinc/77/36/16/466773616.db2.gz OUAFZKKIULKVGG-DOTOQJQBSA-N 2 2 333.476 2.336 10 0 EEAELP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCNc2cccc[nH+]2)cc1 ZINC000417080819 466774244 /nfs/dbraw/zinc/77/42/44/466774244.db2.gz ORCPSOONDFBUPH-AWEZNQCLSA-N 2 2 327.432 2.403 10 0 EEAELP Brc1ccc2ncc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)n2c1 ZINC000377727255 467128266 /nfs/dbraw/zinc/12/82/66/467128266.db2.gz UHZQGOZRUJBHNK-LLVKDONJSA-N 2 2 346.232 2.467 10 0 EEAELP Brc1ccc2ncc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)n2c1 ZINC000377727255 467128267 /nfs/dbraw/zinc/12/82/67/467128267.db2.gz UHZQGOZRUJBHNK-LLVKDONJSA-N 2 2 346.232 2.467 10 0 EEAELP c1nc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc(NC2CC2)[nH+]1 ZINC000413210845 467190921 /nfs/dbraw/zinc/19/09/21/467190921.db2.gz WJAHIPVMYYFGSQ-MRXNPFEDSA-N 2 2 331.464 2.132 10 0 EEAELP c1nc(NC2CC2)cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000413210845 467190924 /nfs/dbraw/zinc/19/09/24/467190924.db2.gz WJAHIPVMYYFGSQ-MRXNPFEDSA-N 2 2 331.464 2.132 10 0 EEAELP C[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000432121882 467217124 /nfs/dbraw/zinc/21/71/24/467217124.db2.gz YYIPLFQTTCTDKP-KFKAGJAMSA-N 2 2 329.488 2.178 10 0 EEAELP Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000432866555 467270856 /nfs/dbraw/zinc/27/08/56/467270856.db2.gz SESWPMUUYCLSPI-MRXNPFEDSA-N 2 2 341.459 2.182 10 0 EEAELP Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000432866555 467270860 /nfs/dbraw/zinc/27/08/60/467270860.db2.gz SESWPMUUYCLSPI-MRXNPFEDSA-N 2 2 341.459 2.182 10 0 EEAELP Cc1nc2[nH]ccc2c(NCC2(C[NH+]3CCOCC3)CCCCC2)[nH+]1 ZINC000433639551 467344194 /nfs/dbraw/zinc/34/41/94/467344194.db2.gz NNNPARPZSVXLKP-UHFFFAOYSA-N 2 2 343.475 2.961 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000382715017 467378750 /nfs/dbraw/zinc/37/87/50/467378750.db2.gz ZYVCDAOOXQHLJF-YLJYHZDGSA-N 2 2 337.467 2.289 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000382715017 467378755 /nfs/dbraw/zinc/37/87/55/467378755.db2.gz ZYVCDAOOXQHLJF-YLJYHZDGSA-N 2 2 337.467 2.289 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420386263 467389802 /nfs/dbraw/zinc/38/98/02/467389802.db2.gz VIBWANRDWVDOCO-YLJYHZDGSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420386263 467389804 /nfs/dbraw/zinc/38/98/04/467389804.db2.gz VIBWANRDWVDOCO-YLJYHZDGSA-N 2 2 329.488 2.118 10 0 EEAELP C[NH2+]C[C@@H](C)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414751498 467434789 /nfs/dbraw/zinc/43/47/89/467434789.db2.gz NOCPFDVAJVIZFT-GFCCVEGCSA-N 2 2 325.482 2.106 10 0 EEAELP COC1([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)CCOCC1 ZINC000453169108 467466373 /nfs/dbraw/zinc/46/63/73/467466373.db2.gz FVRKGQFSIIZLAG-RDJZCZTQSA-N 2 2 348.491 2.218 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C[C@@]1(C)C[NH3+] ZINC000415049323 467476559 /nfs/dbraw/zinc/47/65/59/467476559.db2.gz ABIPBUWLHRCSFU-BDJLRTHQSA-N 2 2 337.830 2.477 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cn(-c3ccc(F)cc3Cl)nn2)C[C@@]1(C)C[NH3+] ZINC000415049323 467476561 /nfs/dbraw/zinc/47/65/61/467476561.db2.gz ABIPBUWLHRCSFU-BDJLRTHQSA-N 2 2 337.830 2.477 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000454280269 467581435 /nfs/dbraw/zinc/58/14/35/467581435.db2.gz ZQZZCRUOVUKOQD-INIZCTEOSA-N 2 2 335.496 2.459 10 0 EEAELP Cc1cc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000449106023 467618523 /nfs/dbraw/zinc/61/85/23/467618523.db2.gz KEUGLMJXPGZFBV-UHFFFAOYSA-N 2 2 344.484 2.280 10 0 EEAELP COc1nccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000449169055 467621879 /nfs/dbraw/zinc/62/18/79/467621879.db2.gz FQSYXBHVDDTCTH-NVXWUHKLSA-N 2 2 326.444 2.485 10 0 EEAELP COc1nccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000449169055 467621880 /nfs/dbraw/zinc/62/18/80/467621880.db2.gz FQSYXBHVDDTCTH-NVXWUHKLSA-N 2 2 326.444 2.485 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(OC(F)F)c1 ZINC000449396804 467638396 /nfs/dbraw/zinc/63/83/96/467638396.db2.gz SRKXJGQGQMASTB-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(OC(F)F)c1 ZINC000449396804 467638399 /nfs/dbraw/zinc/63/83/99/467638399.db2.gz SRKXJGQGQMASTB-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)nc1 ZINC000450456878 467852897 /nfs/dbraw/zinc/85/28/97/467852897.db2.gz UPFTWEQLDGKNEJ-INIZCTEOSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)nc1 ZINC000450456878 467852900 /nfs/dbraw/zinc/85/29/00/467852900.db2.gz UPFTWEQLDGKNEJ-INIZCTEOSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)nc1 ZINC000450456878 467852903 /nfs/dbraw/zinc/85/29/03/467852903.db2.gz UPFTWEQLDGKNEJ-INIZCTEOSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)nc1 ZINC000450456878 467852904 /nfs/dbraw/zinc/85/29/04/467852904.db2.gz UPFTWEQLDGKNEJ-INIZCTEOSA-N 2 2 331.460 2.422 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)n1-c1ccccc1 ZINC000515174348 467977116 /nfs/dbraw/zinc/97/71/16/467977116.db2.gz GERPCLCMASKUEE-CRAIPNDOSA-N 2 2 331.460 2.428 10 0 EEAELP Cc1nc2ccc(C[NH2+]C3CC[NH+](CC(=O)N(C)C)CC3)cc2s1 ZINC000494090013 468026363 /nfs/dbraw/zinc/02/63/63/468026363.db2.gz OZRULNPJQUXHFB-UHFFFAOYSA-N 2 2 346.500 2.247 10 0 EEAELP OCC[N@H+](CCn1cc[nH+]c1)Cc1cc(Br)cs1 ZINC000494277452 468041278 /nfs/dbraw/zinc/04/12/78/468041278.db2.gz RDXSBYXLYKTINE-UHFFFAOYSA-N 2 2 330.251 2.202 10 0 EEAELP OCC[N@@H+](CCn1cc[nH+]c1)Cc1cc(Br)cs1 ZINC000494277452 468041279 /nfs/dbraw/zinc/04/12/79/468041279.db2.gz RDXSBYXLYKTINE-UHFFFAOYSA-N 2 2 330.251 2.202 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCCC[C@@H]3C3(O)CC3)c2cc1C ZINC000516912639 468055061 /nfs/dbraw/zinc/05/50/61/468055061.db2.gz YJWSAMYQHMALCA-QFBILLFUSA-N 2 2 343.471 2.393 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCCC[C@@H]3C3(O)CC3)c2cc1C ZINC000516912639 468055065 /nfs/dbraw/zinc/05/50/65/468055065.db2.gz YJWSAMYQHMALCA-QFBILLFUSA-N 2 2 343.471 2.393 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055222 468081781 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C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000629393904 469529697 /nfs/dbraw/zinc/52/96/97/469529697.db2.gz DRBHMDGPFPRWPG-IUODEOHRSA-N 2 2 328.416 2.078 10 0 EEAELP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)COCc1ccccc1F ZINC000629600697 469589047 /nfs/dbraw/zinc/58/90/47/469589047.db2.gz BBNQGNXNGAUWRK-MSOLQXFVSA-N 2 2 336.451 2.310 10 0 EEAELP O[C@@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)COCc1ccccc1F ZINC000629600697 469589051 /nfs/dbraw/zinc/58/90/51/469589051.db2.gz BBNQGNXNGAUWRK-MSOLQXFVSA-N 2 2 336.451 2.310 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629660372 469601620 /nfs/dbraw/zinc/60/16/20/469601620.db2.gz SLAONZNEPFEBHV-MJGOQNOKSA-N 3 2 330.520 2.449 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000626927582 469757761 /nfs/dbraw/zinc/75/77/61/469757761.db2.gz UAPNSGRNESYFIO-XHSDSOJGSA-N 2 2 345.422 2.088 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000624086666 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ZINC000631889636 470189760 /nfs/dbraw/zinc/18/97/60/470189760.db2.gz IKWBNDSTTFTVEZ-XJKSGUPXSA-N 2 2 331.851 2.495 10 0 EEAELP Clc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(-n2cncn2)c1 ZINC000631889636 470189761 /nfs/dbraw/zinc/18/97/61/470189761.db2.gz IKWBNDSTTFTVEZ-XJKSGUPXSA-N 2 2 331.851 2.495 10 0 EEAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635104893 470436697 /nfs/dbraw/zinc/43/66/97/470436697.db2.gz FWYMYPKKZVHFMN-IIAWOOMASA-N 2 2 328.416 2.450 10 0 EEAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635104893 470436698 /nfs/dbraw/zinc/43/66/98/470436698.db2.gz FWYMYPKKZVHFMN-IIAWOOMASA-N 2 2 328.416 2.450 10 0 EEAELP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000636989037 470551833 /nfs/dbraw/zinc/55/18/33/470551833.db2.gz QAVPONWOXZNBPJ-CVEARBPZSA-N 2 2 345.491 2.251 10 0 EEAELP O[C@H]1CC[N@@H+]([C@H]2CCC[C@H]2[NH2+]CCOc2ccc(F)cc2Cl)C1 ZINC000643960939 470826970 /nfs/dbraw/zinc/82/69/70/470826970.db2.gz 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Cc1ccc(CN(CC[NH+](C)C)C(=O)Cc2cn3c([nH+]2)CCCC3)o1 ZINC000651199781 471087805 /nfs/dbraw/zinc/08/78/05/471087805.db2.gz XQQJPQFWIDEHEV-UHFFFAOYSA-N 2 2 344.459 2.254 10 0 EEAELP C[C@H]1CN(c2ccc(C[NH2+]Cc3c[nH+]c4n3CCC4)cn2)C[C@H](C)O1 ZINC000657310747 471095572 /nfs/dbraw/zinc/09/55/72/471095572.db2.gz DISNNZXSQQIDNA-GJZGRUSLSA-N 2 2 341.459 2.128 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000648161669 471104894 /nfs/dbraw/zinc/10/48/94/471104894.db2.gz USKLWDFMOYNXQG-GDBMZVCRSA-N 2 2 325.403 2.344 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000648161669 471104899 /nfs/dbraw/zinc/10/48/99/471104899.db2.gz USKLWDFMOYNXQG-GDBMZVCRSA-N 2 2 325.403 2.344 10 0 EEAELP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4[nH+]ccn43)cc2)C1 ZINC000657594494 471178225 /nfs/dbraw/zinc/17/82/25/471178225.db2.gz AUROIYGJBRCCOC-IBGZPJMESA-N 3 2 336.439 2.191 10 0 EEAELP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc4[nH+]ccn43)cc2)C1 ZINC000657594494 471178227 /nfs/dbraw/zinc/17/82/27/471178227.db2.gz AUROIYGJBRCCOC-IBGZPJMESA-N 3 2 336.439 2.191 10 0 EEAELP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000641163665 471231849 /nfs/dbraw/zinc/23/18/49/471231849.db2.gz ZAWVELUGPWTGGJ-OAHLLOKOSA-N 2 2 325.416 2.102 10 0 EEAELP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000657802344 471236213 /nfs/dbraw/zinc/23/62/13/471236213.db2.gz ZAEJZHCYNKXZAP-HSALFYBXSA-N 2 2 331.504 2.350 10 0 EEAELP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000657802344 471236215 /nfs/dbraw/zinc/23/62/15/471236215.db2.gz ZAEJZHCYNKXZAP-HSALFYBXSA-N 2 2 331.504 2.350 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652158222 471247021 /nfs/dbraw/zinc/24/70/21/471247021.db2.gz WGOAFBIQKYIOMQ-UHFFFAOYSA-N 2 2 333.411 2.136 10 0 EEAELP O=C(N1CCCCC1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652336899 471273656 /nfs/dbraw/zinc/27/36/56/471273656.db2.gz LICDACFNBPCOOU-UHFFFAOYSA-N 2 2 342.487 2.056 10 0 EEAELP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000655243312 471289956 /nfs/dbraw/zinc/28/99/56/471289956.db2.gz WMHHGZHHBRBILT-WNRNVDISSA-N 2 2 339.524 2.111 10 0 EEAELP CC[C@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[C@@H]1[NH3+] ZINC000669024544 471353921 /nfs/dbraw/zinc/35/39/21/471353921.db2.gz UFBYLATYSPYMHH-FZMZJTMJSA-N 2 2 335.839 2.257 10 0 EEAELP c1cn(Cc2ccccc2)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000655718898 471454712 /nfs/dbraw/zinc/45/47/12/471454712.db2.gz FXKJGHLQSYFVDX-LJQANCHMSA-N 2 2 340.471 2.274 10 0 EEAELP CC(C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@@H]1CCCc2cccnc21 ZINC000653156766 471511015 /nfs/dbraw/zinc/51/10/15/471511015.db2.gz KYTGYSVZPSRXQW-IAGOWNOFSA-N 2 2 332.492 2.223 10 0 EEAELP CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000655928465 471544482 /nfs/dbraw/zinc/54/44/82/471544482.db2.gz TXOKHZPLAWCHRI-NWDGAFQWSA-N 2 2 341.337 2.030 10 0 EEAELP Cc1cc(Br)c(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)s1 ZINC000656715341 471817325 /nfs/dbraw/zinc/81/73/25/471817325.db2.gz SAULEJWBJJUWQM-LLVKDONJSA-N 2 2 333.295 2.364 10 0 EEAELP Cc1cc(Br)c(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)s1 ZINC000656715341 471817327 /nfs/dbraw/zinc/81/73/27/471817327.db2.gz SAULEJWBJJUWQM-LLVKDONJSA-N 2 2 333.295 2.364 10 0 EEAELP CC[C@H](C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000661585748 471810268 /nfs/dbraw/zinc/81/02/68/471810268.db2.gz ZQDQOJXFELXUHK-XNHLSEOASA-N 2 2 336.524 2.375 10 0 EEAELP CC[C@H](C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000661585748 471810272 /nfs/dbraw/zinc/81/02/72/471810272.db2.gz ZQDQOJXFELXUHK-XNHLSEOASA-N 2 2 336.524 2.375 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1CCC(O)(CO)CC1 ZINC000661619343 471827525 /nfs/dbraw/zinc/82/75/25/471827525.db2.gz NWJCBWWKNVLCNK-UHFFFAOYSA-N 2 2 331.460 2.334 10 0 EEAELP C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)c1[nH+]ccn1C ZINC000660321027 471941298 /nfs/dbraw/zinc/94/12/98/471941298.db2.gz KUSPXXSLCMXZFG-QWHCGFSZSA-N 2 2 347.488 2.289 10 0 EEAELP C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)c1[nH+]ccn1C ZINC000660321027 471941302 /nfs/dbraw/zinc/94/13/02/471941302.db2.gz KUSPXXSLCMXZFG-QWHCGFSZSA-N 2 2 347.488 2.289 10 0 EEAELP COc1ccc([C@H]([NH2+]CCc2cncc(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000665274472 471986825 /nfs/dbraw/zinc/98/68/25/471986825.db2.gz QRXXUWBBOMROHQ-MOPGFXCFSA-N 2 2 326.444 2.419 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000668107509 472011368 /nfs/dbraw/zinc/01/13/68/472011368.db2.gz DZEMXMQDPDAWEX-INIZCTEOSA-N 2 2 332.492 2.232 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000668107509 472011374 /nfs/dbraw/zinc/01/13/74/472011374.db2.gz DZEMXMQDPDAWEX-INIZCTEOSA-N 2 2 332.492 2.232 10 0 EEAELP CCOc1cc(F)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665636131 472119651 /nfs/dbraw/zinc/11/96/51/472119651.db2.gz RLOITZDQJWTZOC-UHFFFAOYSA-N 2 2 340.443 2.229 10 0 EEAELP CCOc1cc(F)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665636131 472119654 /nfs/dbraw/zinc/11/96/54/472119654.db2.gz RLOITZDQJWTZOC-UHFFFAOYSA-N 2 2 340.443 2.229 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662537264 472144058 /nfs/dbraw/zinc/14/40/58/472144058.db2.gz ZEQCZFGYJLNQAM-LZWOXQAQSA-N 2 2 343.393 2.353 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662537264 472144065 /nfs/dbraw/zinc/14/40/65/472144065.db2.gz ZEQCZFGYJLNQAM-LZWOXQAQSA-N 2 2 343.393 2.353 10 0 EEAELP COC[C@H](C)Oc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739458 472248005 /nfs/dbraw/zinc/24/80/05/472248005.db2.gz MVSPQHITOIIZLQ-QFBILLFUSA-N 2 2 348.487 2.131 10 0 EEAELP COC[C@H](C)Oc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739458 472248009 /nfs/dbraw/zinc/24/80/09/472248009.db2.gz MVSPQHITOIIZLQ-QFBILLFUSA-N 2 2 348.487 2.131 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678884187 485534570 /nfs/dbraw/zinc/53/45/70/485534570.db2.gz FGFMTTZJQWGYIO-NRSPTQNISA-N 2 2 343.515 2.446 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678884187 485534579 /nfs/dbraw/zinc/53/45/79/485534579.db2.gz FGFMTTZJQWGYIO-NRSPTQNISA-N 2 2 343.515 2.446 10 0 EEAELP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1CC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678884187 485534585 /nfs/dbraw/zinc/53/45/85/485534585.db2.gz FGFMTTZJQWGYIO-NRSPTQNISA-N 2 2 343.515 2.446 10 0 EEAELP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678884187 485534593 /nfs/dbraw/zinc/53/45/93/485534593.db2.gz FGFMTTZJQWGYIO-NRSPTQNISA-N 2 2 343.515 2.446 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629596640 485738079 /nfs/dbraw/zinc/73/80/79/485738079.db2.gz SSWMYWYBHNUCAS-KDURUIRLSA-N 2 2 329.444 2.149 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629596640 485738086 /nfs/dbraw/zinc/73/80/86/485738086.db2.gz SSWMYWYBHNUCAS-KDURUIRLSA-N 2 2 329.444 2.149 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C2CC2)cc1 ZINC000629599004 485739952 /nfs/dbraw/zinc/73/99/52/485739952.db2.gz ZTJUYVIYDYAQFA-OYRHEFFESA-N 2 2 341.499 2.417 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C2CC2)cc1 ZINC000629599004 485739962 /nfs/dbraw/zinc/73/99/62/485739962.db2.gz ZTJUYVIYDYAQFA-OYRHEFFESA-N 2 2 341.499 2.417 10 0 EEAELP O[C@H](C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)C[NH+]1CCCCC1 ZINC000189077210 534429939 /nfs/dbraw/zinc/42/99/39/534429939.db2.gz MKAOAMQMNULDBS-LJQANCHMSA-N 2 2 346.450 2.007 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000174779293 527831582 /nfs/dbraw/zinc/83/15/82/527831582.db2.gz WGPVFLGIFOYLJY-KDOFPFPSSA-N 2 2 346.475 2.246 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000174779293 527831583 /nfs/dbraw/zinc/83/15/83/527831583.db2.gz WGPVFLGIFOYLJY-KDOFPFPSSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000174779293 527831584 /nfs/dbraw/zinc/83/15/84/527831584.db2.gz WGPVFLGIFOYLJY-KDOFPFPSSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000174779293 527831585 /nfs/dbraw/zinc/83/15/85/527831585.db2.gz WGPVFLGIFOYLJY-KDOFPFPSSA-N 2 2 346.475 2.246 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000158519739 529088130 /nfs/dbraw/zinc/08/81/30/529088130.db2.gz VWBJGBDAVRRCHZ-WBVHZDCISA-N 2 2 341.459 2.400 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000158519739 529088137 /nfs/dbraw/zinc/08/81/37/529088137.db2.gz VWBJGBDAVRRCHZ-WBVHZDCISA-N 2 2 341.459 2.400 10 0 EEAELP COC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423153392 536854282 /nfs/dbraw/zinc/85/42/82/536854282.db2.gz NHPLLLIVSAHOGN-JQHSSLGASA-N 2 2 338.879 2.427 10 0 EEAELP C[NH+](C)[C@@H]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)[nH+]c2)C1 ZINC000774300147 577394274 /nfs/dbraw/zinc/39/42/74/577394274.db2.gz AJGVYHSIHCOSJW-YCXXCVGLSA-N 3 2 329.492 2.259 10 0 EEAELP C[NH+](C)[C@@H]1CCN(c2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)[nH+]c2)C1 ZINC000774300147 577394275 /nfs/dbraw/zinc/39/42/75/577394275.db2.gz AJGVYHSIHCOSJW-YCXXCVGLSA-N 3 2 329.492 2.259 10 0 EEAELP COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000775347789 577435661 /nfs/dbraw/zinc/43/56/61/577435661.db2.gz RVTCGUDBZVTODV-GDBMZVCRSA-N 2 2 343.431 2.224 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2csc(C=O)c2)([NH+]2CCCCC2)CC1 ZINC000755014517 577818219 /nfs/dbraw/zinc/81/82/19/577818219.db2.gz VMOGXQQLVFWNTK-UHFFFAOYSA-N 2 2 349.500 2.241 10 0 EEAELP Cc1sc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)nc1C(C)C ZINC000926170023 676669362 /nfs/dbraw/zinc/66/93/62/676669362.db2.gz AXUWZRBARVIXIK-UHFFFAOYSA-N 2 2 325.482 2.120 10 0 EEAELP C[C@@]1(C[N@H+](CCO)Cc2ccc(Br)s2)CC[NH2+]C1 ZINC000261964916 676709709 /nfs/dbraw/zinc/70/97/09/676709709.db2.gz HROGEJFNRLQKNX-CYBMUJFWSA-N 2 2 333.295 2.305 10 0 EEAELP C[C@@]1(C[N@@H+](CCO)Cc2ccc(Br)s2)CC[NH2+]C1 ZINC000261964916 676709712 /nfs/dbraw/zinc/70/97/12/676709712.db2.gz HROGEJFNRLQKNX-CYBMUJFWSA-N 2 2 333.295 2.305 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000895630842 684669292 /nfs/dbraw/zinc/66/92/92/684669292.db2.gz ZHPKFPFKDSAVDH-UHFFFAOYSA-N 2 2 326.444 2.101 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000895630842 684669296 /nfs/dbraw/zinc/66/92/96/684669296.db2.gz ZHPKFPFKDSAVDH-UHFFFAOYSA-N 2 2 326.444 2.101 10 0 EEAELP OC[C@]1(C(F)(F)F)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895838456 684739019 /nfs/dbraw/zinc/73/90/19/684739019.db2.gz ZXBMNUOGADNQEY-AWEZNQCLSA-N 2 2 326.322 2.014 10 0 EEAELP OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895838456 684739022 /nfs/dbraw/zinc/73/90/22/684739022.db2.gz ZXBMNUOGADNQEY-AWEZNQCLSA-N 2 2 326.322 2.014 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@H+](C)Cc2ccncc2)c[nH+]1 ZINC000897779261 691780639 /nfs/dbraw/zinc/78/06/39/691780639.db2.gz MYDPVJKGNWKFRW-UHFFFAOYSA-N 2 2 343.475 2.302 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc2ccncc2)c[nH+]1 ZINC000897779261 691780641 /nfs/dbraw/zinc/78/06/41/691780641.db2.gz MYDPVJKGNWKFRW-UHFFFAOYSA-N 2 2 343.475 2.302 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)co1 ZINC001485583363 1191849498 /nfs/dbraw/zinc/84/94/98/1191849498.db2.gz AHPPEUOKVZISJC-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1nc(C[N@H+]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)co1 ZINC001485583363 1191849500 /nfs/dbraw/zinc/84/95/00/1191849500.db2.gz AHPPEUOKVZISJC-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001485606854 1191860515 /nfs/dbraw/zinc/86/05/15/1191860515.db2.gz MNPAAVWCTUPRGB-TVFCKZIOSA-N 2 2 344.503 2.176 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001485606854 1191860517 /nfs/dbraw/zinc/86/05/17/1191860517.db2.gz MNPAAVWCTUPRGB-TVFCKZIOSA-N 2 2 344.503 2.176 10 0 EEAELP Cc1cccc([C@@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4c[nH]c[nH+]4)[C@@H]3C2)c1 ZINC001485617000 1191864011 /nfs/dbraw/zinc/86/40/11/1191864011.db2.gz YIVCMYNVBJRYPT-AXUOBQJMSA-N 2 2 338.455 2.316 10 0 EEAELP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4c[nH]c[nH+]4)[C@@H]3C2)c1 ZINC001485617000 1191864014 /nfs/dbraw/zinc/86/40/14/1191864014.db2.gz YIVCMYNVBJRYPT-AXUOBQJMSA-N 2 2 338.455 2.316 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001485695693 1191902921 /nfs/dbraw/zinc/90/29/21/1191902921.db2.gz JICBOOFHLQHXIN-QBPKDAKJSA-N 2 2 332.492 2.444 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266327856 1176305585 /nfs/dbraw/zinc/30/55/85/1176305585.db2.gz NFMGRRQLLWFEBX-FDRQBBGKSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266327856 1176305593 /nfs/dbraw/zinc/30/55/93/1176305593.db2.gz NFMGRRQLLWFEBX-FDRQBBGKSA-N 2 2 330.476 2.382 10 0 EEAELP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266469164 1176596387 /nfs/dbraw/zinc/59/63/87/1176596387.db2.gz GEXONXORTSISHY-IRXDYDNUSA-N 2 2 336.480 2.041 10 0 EEAELP COCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001266469164 1176596393 /nfs/dbraw/zinc/59/63/93/1176596393.db2.gz GEXONXORTSISHY-IRXDYDNUSA-N 2 2 336.480 2.041 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001266598724 1176913923 /nfs/dbraw/zinc/91/39/23/1176913923.db2.gz YDLXNNWJZQQZDD-RAIGVLPGSA-N 2 2 345.274 2.163 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001266598724 1176913927 /nfs/dbraw/zinc/91/39/27/1176913927.db2.gz YDLXNNWJZQQZDD-RAIGVLPGSA-N 2 2 345.274 2.163 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)c1cccc2[nH+]ccn21 ZINC001266773642 1177398021 /nfs/dbraw/zinc/39/80/21/1177398021.db2.gz TVTNFBTVAOLPLC-OAGGEKHMSA-N 2 2 326.444 2.432 10 0 EEAELP CCOCCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691146560 1177637582 /nfs/dbraw/zinc/63/75/82/1177637582.db2.gz ALUZMKSXNGXRGO-JCNLHEQBSA-N 2 2 344.459 2.167 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001691149706 1177641417 /nfs/dbraw/zinc/64/14/17/1177641417.db2.gz UUXAXUVRWJUVJH-CTYIDZIISA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001691149706 1177641423 /nfs/dbraw/zinc/64/14/23/1177641423.db2.gz UUXAXUVRWJUVJH-CTYIDZIISA-N 2 2 347.850 2.075 10 0 EEAELP CC(C)C[C@@H](C(=O)N(C)CC[NH2+]Cc1cncs1)n1cc[nH+]c1 ZINC001691355687 1177957687 /nfs/dbraw/zinc/95/76/87/1177957687.db2.gz MFTAPNLAXCTPBW-HNNXBMFYSA-N 2 2 335.477 2.175 10 0 EEAELP C[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1nc2ccccc2o1 ZINC001480920256 1178332955 /nfs/dbraw/zinc/33/29/55/1178332955.db2.gz KSMOOYULPDKVKO-UHFFFAOYSA-N 2 2 344.459 2.108 10 0 EEAELP C[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)Cc1nc2ccccc2o1 ZINC001480920256 1178332964 /nfs/dbraw/zinc/33/29/64/1178332964.db2.gz KSMOOYULPDKVKO-UHFFFAOYSA-N 2 2 344.459 2.108 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001267389920 1178954416 /nfs/dbraw/zinc/95/44/16/1178954416.db2.gz HPVCSQVDOJCDAW-OAGGEKHMSA-N 2 2 331.460 2.117 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)CCc2c[nH+]cn2C)c1 ZINC001267463202 1179063080 /nfs/dbraw/zinc/06/30/80/1179063080.db2.gz RLGJZHUUNOOFNE-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP CC1CC(C[N@H+](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C2CC2)C1 ZINC001481170005 1179982497 /nfs/dbraw/zinc/98/24/97/1179982497.db2.gz ZNUXJBPIDXPNTM-UHFFFAOYSA-N 2 2 344.503 2.389 10 0 EEAELP CC1CC(C[N@@H+](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C2CC2)C1 ZINC001481170005 1179982502 /nfs/dbraw/zinc/98/25/02/1179982502.db2.gz ZNUXJBPIDXPNTM-UHFFFAOYSA-N 2 2 344.503 2.389 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](Cc2ccccn2)C2CC2)c[nH+]1 ZINC001481174945 1179990264 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EEAELP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001691495557 1181575937 /nfs/dbraw/zinc/57/59/37/1181575937.db2.gz OFPISGRORZKUMH-OAHLLOKOSA-N 2 2 346.479 2.168 10 0 EEAELP C[C@H](CC(=O)NC1C[NH+](CCCCC2CCOCC2)C1)n1cc[nH+]c1 ZINC001481586059 1181803260 /nfs/dbraw/zinc/80/32/60/1181803260.db2.gz OJWAGGITJFYYHP-MRXNPFEDSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CCC[C@@H](C)[C@H]3C[NH2+]CCF)ccn12 ZINC001268187733 1181977664 /nfs/dbraw/zinc/97/76/64/1181977664.db2.gz ULXTWWARNYGLBD-CZUORRHYSA-N 2 2 332.423 2.443 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268278388 1182144010 /nfs/dbraw/zinc/14/40/10/1182144010.db2.gz NROHVNHBLCGKGS-AAEUAGOBSA-N 2 2 332.370 2.169 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268278388 1182144014 /nfs/dbraw/zinc/14/40/14/1182144014.db2.gz NROHVNHBLCGKGS-AAEUAGOBSA-N 2 2 332.370 2.169 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268451263 1182644136 /nfs/dbraw/zinc/64/41/36/1182644136.db2.gz HIQNKZBEWGHSPU-UHFFFAOYSA-N 2 2 340.471 2.400 10 0 EEAELP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268459810 1182749447 /nfs/dbraw/zinc/74/94/47/1182749447.db2.gz IQJUSPOTSRDHBC-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@](C)(C[NH2+]CC1CCC1)C1CC1 ZINC001481932790 1182983780 /nfs/dbraw/zinc/98/37/80/1182983780.db2.gz CHLARVGRAIHBRB-LJQANCHMSA-N 2 2 331.460 2.307 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001268560592 1183257679 /nfs/dbraw/zinc/25/76/79/1183257679.db2.gz KOOLZWKEZGWZHI-LHRDXKRPSA-N 2 2 338.455 2.216 10 0 EEAELP C[C@@H]([NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1)c1ccc2c(c1)CCC2 ZINC001268606463 1183512381 /nfs/dbraw/zinc/51/23/81/1183512381.db2.gz FHNGYMLSEOLABQ-XYBNCVKDSA-N 2 2 338.455 2.464 10 0 EEAELP C[C@@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268693894 1183619900 /nfs/dbraw/zinc/61/99/00/1183619900.db2.gz PLUMQCYSTOGQQQ-STQMWFEESA-N 2 2 346.397 2.272 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268777535 1183695451 /nfs/dbraw/zinc/69/54/51/1183695451.db2.gz ZVKUCPJITIQKQV-TZMCWYRMSA-N 2 2 346.397 2.180 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268970037 1183863260 /nfs/dbraw/zinc/86/32/60/1183863260.db2.gz UNILYLULXPOVEU-MHCIVBMBSA-N 2 2 328.460 2.165 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001268970037 1183863262 /nfs/dbraw/zinc/86/32/62/1183863262.db2.gz UNILYLULXPOVEU-MHCIVBMBSA-N 2 2 328.460 2.165 10 0 EEAELP CCCCOCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001268970176 1183863597 /nfs/dbraw/zinc/86/35/97/1183863597.db2.gz ZQGWVNONVYRDHC-IRXDYDNUSA-N 2 2 348.491 2.108 10 0 EEAELP CCCCOCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C(C)C ZINC001268970176 1183863604 /nfs/dbraw/zinc/86/36/04/1183863604.db2.gz ZQGWVNONVYRDHC-IRXDYDNUSA-N 2 2 348.491 2.108 10 0 EEAELP CC[C@H](C(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001269805645 1184633215 /nfs/dbraw/zinc/63/32/15/1184633215.db2.gz JGOUZUAUKLEBKJ-WCQYABFASA-N 2 2 336.307 2.053 10 0 EEAELP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCC[C@@H]1CCOC1)c1c[nH+]c[nH]1 ZINC001270165880 1184893525 /nfs/dbraw/zinc/89/35/25/1184893525.db2.gz QZWNXJAIAVZDDA-CVEARBPZSA-N 2 2 348.491 2.085 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CC[C@@H]2CCOC2)c(C)[nH+]1 ZINC001270459855 1185109666 /nfs/dbraw/zinc/10/96/66/1185109666.db2.gz FLBRDFBLOQYEJO-SUMWQHHRSA-N 2 2 333.476 2.389 10 0 EEAELP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482301163 1185212323 /nfs/dbraw/zinc/21/23/23/1185212323.db2.gz JHZDJTSTZCVFMA-UKRRQHHQSA-N 2 2 332.473 2.144 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC001482301194 1185212779 /nfs/dbraw/zinc/21/27/79/1185212779.db2.gz KBKBDZWSZGTKEI-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001482336302 1185430033 /nfs/dbraw/zinc/43/00/33/1185430033.db2.gz BRIZRRLEARHINL-OLZOCXBDSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)N(C)CC[NH2+]C/C(Cl)=C\Cl ZINC001691514124 1185603097 /nfs/dbraw/zinc/60/30/97/1185603097.db2.gz UPGWVWODSTWEQO-JLHYYAGUSA-N 2 2 333.263 2.339 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@@H]1CC[NH2+]CCCF ZINC001271552222 1186306198 /nfs/dbraw/zinc/30/61/98/1186306198.db2.gz QDRVVVFFQVTNKZ-MRXNPFEDSA-N 2 2 337.439 2.353 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)o1 ZINC001271557892 1186308139 /nfs/dbraw/zinc/30/81/39/1186308139.db2.gz GQNRALXXYACUOI-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001271685413 1186370503 /nfs/dbraw/zinc/37/05/03/1186370503.db2.gz SEGUJEUGSQBSSQ-HOCLYGCPSA-N 2 2 346.500 2.331 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1 ZINC001271784054 1186480295 /nfs/dbraw/zinc/48/02/95/1186480295.db2.gz YSYVLBPCOWAJNS-OYHUUDPBSA-N 2 2 338.883 2.227 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606561 1187361064 /nfs/dbraw/zinc/36/10/64/1187361064.db2.gz RZDGHNSDPUMAGA-QZTJIDSGSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606561 1187361068 /nfs/dbraw/zinc/36/10/68/1187361068.db2.gz RZDGHNSDPUMAGA-QZTJIDSGSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[NH+](C)Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482606561 1187361070 /nfs/dbraw/zinc/36/10/70/1187361070.db2.gz RZDGHNSDPUMAGA-QZTJIDSGSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[NH+](C)Cc1ccc(F)cn1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001482606561 1187361074 /nfs/dbraw/zinc/36/10/74/1187361074.db2.gz RZDGHNSDPUMAGA-QZTJIDSGSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[N@H+](C)CC[C@H]1CCCCO1)C(=O)c1cccc2[nH+]ccn21 ZINC001482613205 1187394025 /nfs/dbraw/zinc/39/40/25/1187394025.db2.gz BCGGCCRIICPSTH-MRXNPFEDSA-N 2 2 344.459 2.297 10 0 EEAELP CN(CC[N@@H+](C)CC[C@H]1CCCCO1)C(=O)c1cccc2[nH+]ccn21 ZINC001482613205 1187394026 /nfs/dbraw/zinc/39/40/26/1187394026.db2.gz BCGGCCRIICPSTH-MRXNPFEDSA-N 2 2 344.459 2.297 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001483079416 1188440130 /nfs/dbraw/zinc/44/01/30/1188440130.db2.gz XCDNROSTGOVYPH-UPHRSURJSA-N 2 2 336.798 2.207 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CC(C[NH2+]Cc2ccncc2Cl)C1 ZINC001409292820 1188606022 /nfs/dbraw/zinc/60/60/22/1188606022.db2.gz PVRPVYCMPTWBLP-UHFFFAOYSA-N 2 2 347.850 2.006 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CC(C)(C)CO1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272865530 1193583084 /nfs/dbraw/zinc/58/30/84/1193583084.db2.gz MCGSXQYAJRHZSA-UKRRQHHQSA-N 2 2 344.459 2.476 10 0 EEAELP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001409406012 1189633634 /nfs/dbraw/zinc/63/36/34/1189633634.db2.gz ZHQFDLPLVRNMCM-GAOAYCLHSA-N 2 2 349.262 2.152 10 0 EEAELP CCc1ccccc1CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001409414163 1189645317 /nfs/dbraw/zinc/64/53/17/1189645317.db2.gz YRIPMAPBUJIKJB-CABCVRRESA-N 2 2 328.460 2.240 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001409420076 1189648824 /nfs/dbraw/zinc/64/88/24/1189648824.db2.gz MCIATCISYJEOLX-KBPBESRZSA-N 2 2 332.423 2.093 10 0 EEAELP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccccc21 ZINC001485906570 1193635807 /nfs/dbraw/zinc/63/58/07/1193635807.db2.gz PJEDGGKKKQDURE-MAUKXSAKSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1sccc1Cl ZINC001409496625 1189892335 /nfs/dbraw/zinc/89/23/35/1189892335.db2.gz CAPFYCYYNSLBCQ-YPMHNXCESA-N 2 2 329.897 2.432 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH+](C)Cc1sccc1Cl ZINC001409496625 1189892342 /nfs/dbraw/zinc/89/23/42/1189892342.db2.gz CAPFYCYYNSLBCQ-YPMHNXCESA-N 2 2 329.897 2.432 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@H+](C)Cc1sccc1Cl ZINC001409496625 1189892345 /nfs/dbraw/zinc/89/23/45/1189892345.db2.gz CAPFYCYYNSLBCQ-YPMHNXCESA-N 2 2 329.897 2.432 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C)[N@@H+](C)Cc1sccc1Cl ZINC001409496625 1189892349 /nfs/dbraw/zinc/89/23/49/1189892349.db2.gz CAPFYCYYNSLBCQ-YPMHNXCESA-N 2 2 329.897 2.432 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)s1 ZINC001483239722 1190269429 /nfs/dbraw/zinc/26/94/29/1190269429.db2.gz GDXHJZZQAWSVJR-JTQLQIEISA-N 2 2 329.429 2.236 10 0 EEAELP Cc1ncoc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001486131781 1193690118 /nfs/dbraw/zinc/69/01/18/1193690118.db2.gz UDTVCIJLCVXZJV-BBRMVZONSA-N 2 2 345.447 2.047 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CCc1ccccc1)n1cc[nH+]c1 ZINC001483683440 1190745670 /nfs/dbraw/zinc/74/56/70/1190745670.db2.gz ITEGAPDSXDTDAS-FUHWJXTLSA-N 2 2 326.444 2.267 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CCc1ccccc1)n1cc[nH+]c1 ZINC001483683440 1190745673 /nfs/dbraw/zinc/74/56/73/1190745673.db2.gz ITEGAPDSXDTDAS-FUHWJXTLSA-N 2 2 326.444 2.267 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)sn1 ZINC001272456632 1190831815 /nfs/dbraw/zinc/83/18/15/1190831815.db2.gz IICPTMXGKPJERD-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)sn1 ZINC001272456632 1190831822 /nfs/dbraw/zinc/83/18/22/1190831822.db2.gz IICPTMXGKPJERD-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP C[NH+](C)C1(C(=O)NCC2([NH2+]Cc3cc(C(C)(C)C)on3)CC2)CCC1 ZINC001483740530 1190889562 /nfs/dbraw/zinc/88/95/62/1190889562.db2.gz JMDFCOBVWAZZEM-UHFFFAOYSA-N 2 2 348.491 2.195 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483901781 1191107912 /nfs/dbraw/zinc/10/79/12/1191107912.db2.gz NDPDJHKTVLIZGC-GJZGRUSLSA-N 2 2 336.455 2.091 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CCc1c(F)cccc1F ZINC001483950494 1191129375 /nfs/dbraw/zinc/12/93/75/1191129375.db2.gz PSNZSSMSQJCDJW-ZDUSSCGKSA-N 2 2 348.397 2.054 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@](C)(CNC(=O)C[C@H]3CC[N@@H+](C)C3)C2)co1 ZINC001484172067 1191258245 /nfs/dbraw/zinc/25/82/45/1191258245.db2.gz CPFNSQMCYKZHOG-APWZRJJASA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@](C)(CNC(=O)C[C@H]3CC[N@H+](C)C3)C2)co1 ZINC001484172067 1191258247 /nfs/dbraw/zinc/25/82/47/1191258247.db2.gz CPFNSQMCYKZHOG-APWZRJJASA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@](C)(CNC(=O)C[C@H]3CC[NH+](C)C3)C2)co1 ZINC001484172067 1191258250 /nfs/dbraw/zinc/25/82/50/1191258250.db2.gz CPFNSQMCYKZHOG-APWZRJJASA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@](C)(CNC(=O)C[C@H]3CC[NH+](C)C3)C2)co1 ZINC001484172067 1191258251 /nfs/dbraw/zinc/25/82/51/1191258251.db2.gz CPFNSQMCYKZHOG-APWZRJJASA-N 2 2 348.491 2.043 10 0 EEAELP CC1CC(C[N@@H+]2CCC(F)(F)[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001484194891 1191267246 /nfs/dbraw/zinc/26/72/46/1191267246.db2.gz AUMCJMAAEYZTQR-JXQTWKCFSA-N 2 2 340.418 2.072 10 0 EEAELP CC1CC(C[N@H+]2CCC(F)(F)[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001484194891 1191267248 /nfs/dbraw/zinc/26/72/48/1191267248.db2.gz AUMCJMAAEYZTQR-JXQTWKCFSA-N 2 2 340.418 2.072 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[N@H+](CC2CC2)CCC1(F)F)n1cc[nH+]c1 ZINC001484195194 1191267387 /nfs/dbraw/zinc/26/73/87/1191267387.db2.gz FCKNPLMSTUZVQF-ZFWWWQNUSA-N 2 2 340.418 2.318 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[N@@H+](CC2CC2)CCC1(F)F)n1cc[nH+]c1 ZINC001484195194 1191267389 /nfs/dbraw/zinc/26/73/89/1191267389.db2.gz FCKNPLMSTUZVQF-ZFWWWQNUSA-N 2 2 340.418 2.318 10 0 EEAELP CCOCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001484370875 1191319262 /nfs/dbraw/zinc/31/92/62/1191319262.db2.gz FFQXNWGIVHUZRT-HOCLYGCPSA-N 2 2 344.459 2.287 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]C/C(Cl)=C/Cl ZINC001484994804 1191609687 /nfs/dbraw/zinc/60/96/87/1191609687.db2.gz JTBQBJDXZJMZNV-KZHSWYDLSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc3cnc(C)o3)ccn12 ZINC001485144953 1191664169 /nfs/dbraw/zinc/66/41/69/1191664169.db2.gz AVPYQBQVGAVOIU-CHWSQXEVSA-N 2 2 341.415 2.236 10 0 EEAELP CCO[C@H](C[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CC1 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YLUUEFDQDFQQKN-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001485391674 1191771072 /nfs/dbraw/zinc/77/10/72/1191771072.db2.gz YLUUEFDQDFQQKN-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001485391674 1191771073 /nfs/dbraw/zinc/77/10/73/1191771073.db2.gz YLUUEFDQDFQQKN-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP CCCC[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485464978 1191795107 /nfs/dbraw/zinc/79/51/07/1191795107.db2.gz DECMEICHRURKJS-VSWCJUERSA-N 2 2 338.883 2.463 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273026879 1194333762 /nfs/dbraw/zinc/33/37/62/1194333762.db2.gz MTBXGLASLCGQJQ-USXIJHARSA-N 2 2 326.444 2.208 10 0 EEAELP CC1(C)C[N@H+](Cc2ccccn2)C[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001410062535 1197531667 /nfs/dbraw/zinc/53/16/67/1197531667.db2.gz VYKVRPKDDGFZOC-KRWDZBQOSA-N 2 2 341.459 2.085 10 0 EEAELP CC1(C)C[N@@H+](Cc2ccccn2)C[C@@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001410062535 1197531669 /nfs/dbraw/zinc/53/16/69/1197531669.db2.gz VYKVRPKDDGFZOC-KRWDZBQOSA-N 2 2 341.459 2.085 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001273212896 1197559728 /nfs/dbraw/zinc/55/97/28/1197559728.db2.gz VMXNXBTVQSNWNQ-UONOGXRCSA-N 2 2 328.407 2.193 10 0 EEAELP CC(C)(C)OC(=O)Nc1cnc(C[NH2+]CCCn2cc[nH+]c2)cn1 ZINC000865398895 1198197207 /nfs/dbraw/zinc/19/72/07/1198197207.db2.gz CUFYXIZPLCLSEX-UHFFFAOYSA-N 2 2 332.408 2.200 10 0 EEAELP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC001410970216 1198647801 /nfs/dbraw/zinc/64/78/01/1198647801.db2.gz DJGDDSSJHMNXAW-FFXRNRBCSA-N 2 2 345.274 2.419 10 0 EEAELP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCNC2=O)cc1 ZINC000810253664 1199405006 /nfs/dbraw/zinc/40/50/06/1199405006.db2.gz ZQURHQOZZQEEIZ-JSGCOSHPSA-N 2 2 325.416 2.147 10 0 EEAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411563 1201510666 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EEAELP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)c1cccc2[nH+]ccn21 ZINC001274843424 1205184365 /nfs/dbraw/zinc/18/43/65/1205184365.db2.gz PIZYGUOSDXNGSA-CQSZACIVSA-N 2 2 340.402 2.424 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001275009093 1205233029 /nfs/dbraw/zinc/23/30/29/1205233029.db2.gz ASPTZISJEJLLRS-IRXDYDNUSA-N 2 2 330.476 2.216 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)sn1 ZINC001275449595 1205365902 /nfs/dbraw/zinc/36/59/02/1205365902.db2.gz AKZKXIILSOXXOZ-QWHCGFSZSA-N 2 2 343.456 2.396 10 0 EEAELP Cc1cccc([C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)N2CCOCC2)c1 ZINC000925539728 1206124794 /nfs/dbraw/zinc/12/47/94/1206124794.db2.gz KVTLOVSMXPEYHB-RTBURBONSA-N 2 2 329.488 2.243 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000927764344 1206299812 /nfs/dbraw/zinc/29/98/12/1206299812.db2.gz YPNJTNKXDNUSLX-MRXNPFEDSA-N 2 2 342.484 2.033 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)n1 ZINC000927764344 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10 0 EEAELP C[C@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001324734640 1333748855 /nfs/dbraw/zinc/74/88/55/1333748855.db2.gz CKWPUJFHGRJSNX-CQSZACIVSA-N 2 2 332.370 2.123 10 0 EEAELP C[C@@]1(C[NH2+]Cc2ccc(Cl)nc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001324796891 1333761612 /nfs/dbraw/zinc/76/16/12/1333761612.db2.gz DGSUJMSMEZOWSB-KRWDZBQOSA-N 2 2 347.850 2.029 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001326369034 1334077767 /nfs/dbraw/zinc/07/77/67/1334077767.db2.gz KFLBOGCPEIODSE-DREKTBMASA-N 2 2 331.247 2.099 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CCCc2ccsc2)CCC1 ZINC001326913193 1334182841 /nfs/dbraw/zinc/18/28/41/1334182841.db2.gz HDSQCDJZJYFIED-UHFFFAOYSA-N 2 2 346.500 2.285 10 0 EEAELP CCOCCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)CC2)CC1 ZINC001328509217 1334470507 /nfs/dbraw/zinc/47/05/07/1334470507.db2.gz GFZPRWNWEIZMEH-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc3cccnc3)ccn12 ZINC001329037092 1334572689 /nfs/dbraw/zinc/57/26/89/1334572689.db2.gz PNJKPXAPLNPHGV-CABCVRRESA-N 2 2 337.427 2.334 10 0 EEAELP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCC([NH2+]CCCF)CC1 ZINC001329241342 1334613667 /nfs/dbraw/zinc/61/36/67/1334613667.db2.gz YHWJCUICAQWLOC-FHERZECASA-N 2 2 336.455 2.164 10 0 EEAELP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001330853597 1334915123 /nfs/dbraw/zinc/91/51/23/1334915123.db2.gz XBDCQXWMCIVUOC-CHWSQXEVSA-N 2 2 346.397 2.272 10 0 EEAELP COCCCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001332387936 1335815796 /nfs/dbraw/zinc/81/57/96/1335815796.db2.gz NKSAXUUIALFBFH-KRWDZBQOSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1cc(NC(=O)CCCC(=O)Nc2cc(C)[nH+]c(C)c2)cc(C)[nH+]1 ZINC001336025157 1336466989 /nfs/dbraw/zinc/46/69/89/1336466989.db2.gz CWPHQYQZZBYDME-UHFFFAOYSA-N 2 2 340.427 2.302 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCC[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001675996868 1357084204 /nfs/dbraw/zinc/08/42/04/1357084204.db2.gz DDZWMDKKJRTVFT-AWEZNQCLSA-N 2 2 332.423 2.474 10 0 EEAELP Cc1conc1C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001500261125 1342118603 /nfs/dbraw/zinc/11/86/03/1342118603.db2.gz HFBBTHDESGSQSV-GOSISDBHSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1conc1C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001500261125 1342118604 /nfs/dbraw/zinc/11/86/04/1342118604.db2.gz HFBBTHDESGSQSV-GOSISDBHSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001500261125 1342118606 /nfs/dbraw/zinc/11/86/06/1342118606.db2.gz HFBBTHDESGSQSV-GOSISDBHSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001500261125 1342118609 /nfs/dbraw/zinc/11/86/09/1342118609.db2.gz HFBBTHDESGSQSV-GOSISDBHSA-N 2 2 336.480 2.042 10 0 EEAELP O=C(NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001566714332 1342611464 /nfs/dbraw/zinc/61/14/64/1342611464.db2.gz KNTMUKOUWHICBR-HKUYNNGSSA-N 2 2 342.487 2.430 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]([NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001566725316 1342614792 /nfs/dbraw/zinc/61/47/92/1342614792.db2.gz BFJWCRVDYJBQRL-QGZVFWFLSA-N 2 2 337.427 2.118 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001566940121 1342655772 /nfs/dbraw/zinc/65/57/72/1342655772.db2.gz YBQUBXPEEFAVEU-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001566940121 1342655775 /nfs/dbraw/zinc/65/57/75/1342655775.db2.gz YBQUBXPEEFAVEU-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC[C@H]1CC1(Cl)Cl ZINC001567386618 1342751162 /nfs/dbraw/zinc/75/11/62/1342751162.db2.gz KCMDLBLLHCJOLB-STQMWFEESA-N 2 2 345.274 2.048 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CC[C@H]1CC1(Cl)Cl ZINC001567386618 1342751164 /nfs/dbraw/zinc/75/11/64/1342751164.db2.gz KCMDLBLLHCJOLB-STQMWFEESA-N 2 2 345.274 2.048 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[NH2+]Cc1cscn1 ZINC001567497154 1342769747 /nfs/dbraw/zinc/76/97/47/1342769747.db2.gz MOGLLYFOSBQAPM-CYBMUJFWSA-N 2 2 335.477 2.101 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001567519907 1342777223 /nfs/dbraw/zinc/77/72/23/1342777223.db2.gz DSCLCADMQAJXHR-MOTZXUDYSA-N 2 2 338.455 2.207 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@H]2C)cc1 ZINC001569856210 1342959444 /nfs/dbraw/zinc/95/94/44/1342959444.db2.gz SJBYPFQUFLMALV-MJGOQNOKSA-N 2 2 340.471 2.118 10 0 EEAELP C[C@@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001570676695 1343101294 /nfs/dbraw/zinc/10/12/94/1343101294.db2.gz FCTLINBZQYMENP-HUUCEWRRSA-N 2 2 338.471 2.268 10 0 EEAELP COCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001571360613 1343197518 /nfs/dbraw/zinc/19/75/18/1343197518.db2.gz WNUPLGRGOSOSOU-KRWDZBQOSA-N 2 2 344.459 2.119 10 0 EEAELP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001571362109 1343199110 /nfs/dbraw/zinc/19/91/10/1343199110.db2.gz BVBCPAFRLIIIRI-DLBZAZTESA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCc1c[nH]c[nH+]1 ZINC001676734669 1357189132 /nfs/dbraw/zinc/18/91/32/1357189132.db2.gz GEILZJGWOLGJLE-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCc1c[nH+]c[nH]1 ZINC001676734669 1357189135 /nfs/dbraw/zinc/18/91/35/1357189135.db2.gz GEILZJGWOLGJLE-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP COCCCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CC1(C)C ZINC001677008822 1357261496 /nfs/dbraw/zinc/26/14/96/1357261496.db2.gz WNKAAUDAHIOTBB-INIZCTEOSA-N 2 2 344.459 2.201 10 0 EEAELP C[N@@H+]1CCCC[C@H]1c1nnc(N2CC[NH+](C3CC3)CC2)n1CC1CC1 ZINC001649273061 1353450164 /nfs/dbraw/zinc/45/01/64/1353450164.db2.gz UHMCYZYLUOEZHZ-KRWDZBQOSA-N 2 2 344.507 2.129 10 0 EEAELP C[N@H+]1CCCC[C@H]1c1nnc(N2CC[NH+](C3CC3)CC2)n1CC1CC1 ZINC001649273061 1353450169 /nfs/dbraw/zinc/45/01/69/1353450169.db2.gz UHMCYZYLUOEZHZ-KRWDZBQOSA-N 2 2 344.507 2.129 10 0 EEAELP COCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001656551293 1354247245 /nfs/dbraw/zinc/24/72/45/1354247245.db2.gz SMDOTLSNWCRAHK-YYIAUSFCSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001656551293 1354247249 /nfs/dbraw/zinc/24/72/49/1354247249.db2.gz SMDOTLSNWCRAHK-YYIAUSFCSA-N 2 2 348.491 2.157 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001661321573 1354627825 /nfs/dbraw/zinc/62/78/25/1354627825.db2.gz TXGNBWSGXBVSFQ-RCCFBDPRSA-N 2 2 338.455 2.337 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001661321573 1354627828 /nfs/dbraw/zinc/62/78/28/1354627828.db2.gz TXGNBWSGXBVSFQ-RCCFBDPRSA-N 2 2 338.455 2.337 10 0 EEAELP CC[N@H+](CCNC(=O)c1cccc2[nH+]ccn21)CCc1ccns1 ZINC001663403231 1354958202 /nfs/dbraw/zinc/95/82/02/1354958202.db2.gz CWDQMEGECZQHCO-UHFFFAOYSA-N 2 2 343.456 2.085 10 0 EEAELP CC[N@@H+](CCNC(=O)c1cccc2[nH+]ccn21)CCc1ccns1 ZINC001663403231 1354958204 /nfs/dbraw/zinc/95/82/04/1354958204.db2.gz CWDQMEGECZQHCO-UHFFFAOYSA-N 2 2 343.456 2.085 10 0 EEAELP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001664027999 1355076868 /nfs/dbraw/zinc/07/68/68/1355076868.db2.gz GTXBFFCGNHYHFT-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001664029897 1355077667 /nfs/dbraw/zinc/07/76/67/1355077667.db2.gz YDRPVQWAQIAERL-QGZVFWFLSA-N 2 2 340.471 2.311 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001664213374 1355114342 /nfs/dbraw/zinc/11/43/42/1355114342.db2.gz IREZCNSTJSPLTI-UHFFFAOYSA-N 2 2 328.460 2.498 10 0 EEAELP C[C@H]([NH2+]CCCF)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001664441824 1355165015 /nfs/dbraw/zinc/16/50/15/1355165015.db2.gz GYDCNZFPVMPHJV-GOEBONIOSA-N 2 2 336.455 2.022 10 0 EEAELP CC(C)C[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001667123491 1355652421 /nfs/dbraw/zinc/65/24/21/1355652421.db2.gz GCVWVTUZKWQTRK-OAHLLOKOSA-N 2 2 349.866 2.252 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CC=C(C)C)[C@H](C)C1 ZINC001667184639 1355667711 /nfs/dbraw/zinc/66/77/11/1355667711.db2.gz SXRXXQKYHOCONR-WBVHZDCISA-N 2 2 331.460 2.426 10 0 EEAELP C[C@H](F)CC[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001667302018 1355703638 /nfs/dbraw/zinc/70/36/38/1355703638.db2.gz OCFLZJHPUQMKCK-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c(C)o1 ZINC001668229429 1355904620 /nfs/dbraw/zinc/90/46/20/1355904620.db2.gz NCKRDWXAUKVCKI-STQMWFEESA-N 2 2 333.436 2.124 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001671374211 1356333076 /nfs/dbraw/zinc/33/30/76/1356333076.db2.gz YRZWUAHVRLPULJ-NSHDSACASA-N 2 2 331.247 2.160 10 0 EEAELP C[C@@]1(C[NH2+]CC=C(Cl)Cl)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001671816423 1356420592 /nfs/dbraw/zinc/42/05/92/1356420592.db2.gz XQTZSSOQEZTBHC-AWEZNQCLSA-N 2 2 331.247 2.030 10 0 EEAELP C[C@H]([NH2+]CCCc1ccsc1)[C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001672235912 1356486051 /nfs/dbraw/zinc/48/60/51/1356486051.db2.gz YODRMRSBBIJKOW-HOCLYGCPSA-N 2 2 346.500 2.473 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)on1 ZINC001672876364 1356604941 /nfs/dbraw/zinc/60/49/41/1356604941.db2.gz ZTRSGNXFWBRVJM-CVEARBPZSA-N 2 2 345.447 2.159 10 0 EEAELP C[C@H](CCC[NH2+]C/C=C\Cl)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001675904558 1357066755 /nfs/dbraw/zinc/06/67/55/1357066755.db2.gz VPIRFGLEGMJBIY-BMWLXYDHSA-N 2 2 338.883 2.389 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C(=O)CCn1cc[nH+]c1 ZINC001698838820 1405100107 /nfs/dbraw/zinc/10/01/07/1405100107.db2.gz YCKBBULTSCUILL-QWHCGFSZSA-N 2 2 347.290 2.294 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001699751820 1405466413 /nfs/dbraw/zinc/46/64/13/1405466413.db2.gz IDBLBXMLQSXNAV-HOTGVXAUSA-N 2 2 342.443 2.326 10 0 EEAELP CCN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000912306714 788103877 /nfs/dbraw/zinc/10/38/77/788103877.db2.gz MHAQBLNTEWRROQ-GOSISDBHSA-N 2 2 341.459 2.161 10 0 EEAELP CCN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000912306714 788103882 /nfs/dbraw/zinc/10/38/82/788103882.db2.gz MHAQBLNTEWRROQ-GOSISDBHSA-N 2 2 341.459 2.161 10 0 EEAELP C[C@@H]1C[N@@H+](CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@H](C)CO1 ZINC000912391964 788156269 /nfs/dbraw/zinc/15/62/69/788156269.db2.gz OSTPMKLSVYUCKV-HUUCEWRRSA-N 2 2 344.459 2.130 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000844188339 788894058 /nfs/dbraw/zinc/89/40/58/788894058.db2.gz QMNYEXIIENHANK-QEJZJMRPSA-N 2 2 329.435 2.095 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000844188339 788894070 /nfs/dbraw/zinc/89/40/70/788894070.db2.gz QMNYEXIIENHANK-QEJZJMRPSA-N 2 2 329.435 2.095 10 0 EEAELP [NH3+][C@]1(CO)CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000923477677 789630777 /nfs/dbraw/zinc/63/07/77/789630777.db2.gz VOVLRSCNQBASGZ-OAHLLOKOSA-N 2 2 332.366 2.260 10 0 EEAELP [NH3+][C@]1(CO)CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000923477677 789630780 /nfs/dbraw/zinc/63/07/80/789630780.db2.gz VOVLRSCNQBASGZ-OAHLLOKOSA-N 2 2 332.366 2.260 10 0 EEAELP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000712986769 794533696 /nfs/dbraw/zinc/53/36/96/794533696.db2.gz ANVFOEXYFHAWAF-MSOLQXFVSA-N 2 2 347.503 2.013 10 0 EEAELP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000712986769 794533701 /nfs/dbraw/zinc/53/37/01/794533701.db2.gz ANVFOEXYFHAWAF-MSOLQXFVSA-N 2 2 347.503 2.013 10 0 EEAELP C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000716071614 795598154 /nfs/dbraw/zinc/59/81/54/795598154.db2.gz KTTGVWIODWFJOO-SEEUUAMPSA-N 2 2 336.501 2.062 10 0 EEAELP C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000716071614 795598160 /nfs/dbraw/zinc/59/81/60/795598160.db2.gz KTTGVWIODWFJOO-SEEUUAMPSA-N 2 2 336.501 2.062 10 0 EEAELP 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/nfs/dbraw/zinc/89/40/65/1087894065.db2.gz XJHHBJQRPLPQBC-UHOSZYNNSA-N 2 2 344.503 2.368 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH2+]CC[C@H](C)F)C3CC3)ccn12 ZINC001436781945 1088331350 /nfs/dbraw/zinc/33/13/50/1088331350.db2.gz BWVKFWUQZMHLOK-BLLLJJGKSA-N 2 2 332.423 2.489 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001436833530 1088452171 /nfs/dbraw/zinc/45/21/71/1088452171.db2.gz NPJPIOVLSCIEAW-KRWDZBQOSA-N 2 2 330.407 2.015 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)oc1C ZINC001437216585 1089296655 /nfs/dbraw/zinc/29/66/55/1089296655.db2.gz RREMAGZAAHNOOJ-DZGCQCFKSA-N 2 2 336.480 2.150 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)CCNC(=O)CCc2c[nH+]cn2C)c1 ZINC001437552113 1090015080 /nfs/dbraw/zinc/01/50/80/1090015080.db2.gz MHHDUULJCRBHME-HNNXBMFYSA-N 2 2 344.459 2.171 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)CCNC(=O)CCc2c[nH+]cn2C)c1 ZINC001437552113 1090015093 /nfs/dbraw/zinc/01/50/93/1090015093.db2.gz MHHDUULJCRBHME-HNNXBMFYSA-N 2 2 344.459 2.171 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCc1ccccc1 ZINC001438331889 1090806151 /nfs/dbraw/zinc/80/61/51/1090806151.db2.gz DCNQWMPNTFOREY-ZWKOTPCHSA-N 2 2 340.471 2.173 10 0 EEAELP Cc1cc(C[NH2+]C[C@@]2(NC(=O)Cn3cc[nH+]c3)CCCC[C@H]2C)on1 ZINC001438434756 1090936221 /nfs/dbraw/zinc/93/62/21/1090936221.db2.gz SNSSKIMLJNORRM-KDOFPFPSSA-N 2 2 345.447 2.034 10 0 EEAELP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445401439 1091149064 /nfs/dbraw/zinc/14/90/64/1091149064.db2.gz WLFPJKSGKLQQKK-SJORKVTESA-N 2 2 340.471 2.357 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001438671557 1091162494 /nfs/dbraw/zinc/16/24/94/1091162494.db2.gz BEPHRQFXHGTCHC-ZFWWWQNUSA-N 2 2 336.480 2.355 10 0 EEAELP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001445533656 1091301972 /nfs/dbraw/zinc/30/19/72/1091301972.db2.gz CCWVUWKRFBWFPQ-GUYCJALGSA-N 2 2 347.507 2.321 10 0 EEAELP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001445533656 1091301986 /nfs/dbraw/zinc/30/19/86/1091301986.db2.gz CCWVUWKRFBWFPQ-GUYCJALGSA-N 2 2 347.507 2.321 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(N(C)C)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001439155312 1091798344 /nfs/dbraw/zinc/79/83/44/1091798344.db2.gz KQMKDFFMWTZWJX-CVEARBPZSA-N 2 2 343.475 2.195 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]Cc2sc(C)nc2C)c[nH+]1 ZINC001439225364 1091871421 /nfs/dbraw/zinc/87/14/21/1091871421.db2.gz NDEMKGLWOMWBIZ-NSHDSACASA-N 2 2 349.504 2.294 10 0 EEAELP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001439323896 1092000684 /nfs/dbraw/zinc/00/06/84/1092000684.db2.gz HCTAJBLLGHKVEN-CXAGYDPISA-N 2 2 333.480 2.027 10 0 EEAELP C[C@H](C[N@@H+](C)CC1CCC1)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001439323896 1092000692 /nfs/dbraw/zinc/00/06/92/1092000692.db2.gz HCTAJBLLGHKVEN-CXAGYDPISA-N 2 2 333.480 2.027 10 0 EEAELP C[C@H](C[NH+](C)CC1CCC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001439323896 1092000700 /nfs/dbraw/zinc/00/07/00/1092000700.db2.gz HCTAJBLLGHKVEN-CXAGYDPISA-N 2 2 333.480 2.027 10 0 EEAELP C[C@H](C[NH+](C)CC1CCC1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001439323896 1092000707 /nfs/dbraw/zinc/00/07/07/1092000707.db2.gz HCTAJBLLGHKVEN-CXAGYDPISA-N 2 2 333.480 2.027 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CC[C@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC001439545638 1092413823 /nfs/dbraw/zinc/41/38/23/1092413823.db2.gz IMTOSYDSBMSKEM-WBVHZDCISA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CC[C@H]2CNC(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001439545638 1092413828 /nfs/dbraw/zinc/41/38/28/1092413828.db2.gz IMTOSYDSBMSKEM-WBVHZDCISA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001439545638 1092413832 /nfs/dbraw/zinc/41/38/32/1092413832.db2.gz IMTOSYDSBMSKEM-WBVHZDCISA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001439545638 1092413836 /nfs/dbraw/zinc/41/38/36/1092413836.db2.gz IMTOSYDSBMSKEM-WBVHZDCISA-N 2 2 333.451 2.166 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1)c1cccc(F)c1 ZINC001439633565 1092553678 /nfs/dbraw/zinc/55/36/78/1092553678.db2.gz SDAWONKWQJHAHD-CQSZACIVSA-N 2 2 330.407 2.412 10 0 EEAELP COCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001446351224 1092564812 /nfs/dbraw/zinc/56/48/12/1092564812.db2.gz LHLUTTDGTFJHOA-HKUYNNGSSA-N 2 2 348.491 2.041 10 0 EEAELP COCC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001446351224 1092564823 /nfs/dbraw/zinc/56/48/23/1092564823.db2.gz LHLUTTDGTFJHOA-HKUYNNGSSA-N 2 2 348.491 2.041 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1cccc(F)c1)C1CCCC1 ZINC001439813520 1092781564 /nfs/dbraw/zinc/78/15/64/1092781564.db2.gz LITCARYMBFICBE-GOSISDBHSA-N 2 2 344.434 2.487 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@](C)(NC(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001439860265 1092889995 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BFSAZMVAGXDBMW-LZWOXQAQSA-N 2 2 347.488 2.378 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)[C@H]2C)sn1 ZINC001440495640 1093734283 /nfs/dbraw/zinc/73/42/83/1093734283.db2.gz BFSAZMVAGXDBMW-LZWOXQAQSA-N 2 2 347.488 2.378 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC(C)(C)C1 ZINC001448687699 1093751575 /nfs/dbraw/zinc/75/15/75/1093751575.db2.gz WEOPVWRFYROIHA-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCc2ccnn2C)c(C)[nH+]1 ZINC001440815308 1094068508 /nfs/dbraw/zinc/06/85/08/1094068508.db2.gz RLWMXSBUGMHDOU-GJZGRUSLSA-N 2 2 343.475 2.079 10 0 EEAELP CCc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001440827080 1094079359 /nfs/dbraw/zinc/07/93/59/1094079359.db2.gz BRJWMDMMEUIXTD-HUUCEWRRSA-N 2 2 328.460 2.208 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH+]cn2C)s1 ZINC001440846676 1094104167 /nfs/dbraw/zinc/10/41/67/1094104167.db2.gz PTKYQCOFKBFPSX-NEPJUHHUSA-N 2 2 349.504 2.109 10 0 EEAELP CC(C)c1cnc(C[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)o1 ZINC001441016194 1094297499 /nfs/dbraw/zinc/29/74/99/1094297499.db2.gz QOKSYHDKRRKMOZ-UHFFFAOYSA-N 2 2 336.480 2.173 10 0 EEAELP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441034529 1094328177 /nfs/dbraw/zinc/32/81/77/1094328177.db2.gz PLLLHITZOKNZJT-SJLPKXTDSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ccncc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441034529 1094328185 /nfs/dbraw/zinc/32/81/85/1094328185.db2.gz PLLLHITZOKNZJT-SJLPKXTDSA-N 2 2 341.459 2.318 10 0 EEAELP C[C@H](CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1)n1cc[nH+]c1 ZINC001449386663 1094360480 /nfs/dbraw/zinc/36/04/80/1094360480.db2.gz OSRYHVCRNZPCHE-WLYUNCDWSA-N 2 2 347.488 2.112 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)C1C[NH+](Cc2cncs2)C1 ZINC001441195369 1094555052 /nfs/dbraw/zinc/55/50/52/1094555052.db2.gz QMBZZYFGPLVBOY-ZDUSSCGKSA-N 2 2 347.488 2.065 10 0 EEAELP CC1(C)CC(C[NH2+][C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C2CC2)C1 ZINC001441207317 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EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001480596956 1106736143 /nfs/dbraw/zinc/73/61/43/1106736143.db2.gz NFZATRRXWNQDPK-KGLIPLIRSA-N 2 2 338.496 2.468 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1F)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001498043812 1106828694 /nfs/dbraw/zinc/82/86/94/1106828694.db2.gz CPBJTKFRJCAUTH-AWEZNQCLSA-N 2 2 344.434 2.196 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001480740234 1107026770 /nfs/dbraw/zinc/02/67/70/1107026770.db2.gz WYHOFNDXHWDWLY-QGZVFWFLSA-N 2 2 348.491 2.317 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001480740234 1107026784 /nfs/dbraw/zinc/02/67/84/1107026784.db2.gz WYHOFNDXHWDWLY-QGZVFWFLSA-N 2 2 348.491 2.317 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001480740234 1107026800 /nfs/dbraw/zinc/02/68/00/1107026800.db2.gz WYHOFNDXHWDWLY-QGZVFWFLSA-N 2 2 348.491 2.317 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 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2 333.451 2.200 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168591879 311392236 /nfs/dbraw/zinc/39/22/36/311392236.db2.gz QFNCAIAWZYKNTE-CQSZACIVSA-N 2 2 339.430 2.434 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168591879 311392239 /nfs/dbraw/zinc/39/22/39/311392239.db2.gz QFNCAIAWZYKNTE-CQSZACIVSA-N 2 2 339.430 2.434 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000411250025 312519038 /nfs/dbraw/zinc/51/90/38/312519038.db2.gz YAPKBWMQBJCZGX-UHFFFAOYSA-N 2 2 346.475 2.184 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414906502 313111823 /nfs/dbraw/zinc/11/18/23/313111823.db2.gz PYMCYXCROJIJNU-IVSAIRAKSA-N 2 2 346.475 2.249 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414906502 313111826 /nfs/dbraw/zinc/11/18/26/313111826.db2.gz PYMCYXCROJIJNU-IVSAIRAKSA-N 2 2 346.475 2.249 10 0 EEAELP [NH3+]C1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCCCC1 ZINC000416949170 313369904 /nfs/dbraw/zinc/36/99/04/313369904.db2.gz ZXOSEANNHNWNAD-UHFFFAOYSA-N 2 2 335.839 2.449 10 0 EEAELP CCc1[nH+]c2cc(CNC(=O)N[C@H](C)[C@H](C)[NH3+])ccc2n1C1CC1 ZINC000418161189 313730152 /nfs/dbraw/zinc/73/01/52/313730152.db2.gz SSHALADAYJPMOO-NWDGAFQWSA-N 2 2 329.448 2.469 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)C(C)(F)F)CC2)CC1 ZINC000448837716 315390542 /nfs/dbraw/zinc/39/05/42/315390542.db2.gz UJMOOQCBDWUDPX-UHFFFAOYSA-N 2 2 331.451 2.343 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)C2 ZINC000525997861 317102861 /nfs/dbraw/zinc/10/28/61/317102861.db2.gz HHQFGYNPZLXRAZ-GJZGRUSLSA-N 2 2 332.492 2.485 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)C2 ZINC000525997861 317102865 /nfs/dbraw/zinc/10/28/65/317102865.db2.gz HHQFGYNPZLXRAZ-GJZGRUSLSA-N 2 2 332.492 2.485 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)CC2 ZINC000525997861 317102869 /nfs/dbraw/zinc/10/28/69/317102869.db2.gz HHQFGYNPZLXRAZ-GJZGRUSLSA-N 2 2 332.492 2.485 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000525997861 317102872 /nfs/dbraw/zinc/10/28/72/317102872.db2.gz HHQFGYNPZLXRAZ-GJZGRUSLSA-N 2 2 332.492 2.485 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000527728691 317253231 /nfs/dbraw/zinc/25/32/31/317253231.db2.gz UULGWXBTETXNSL-ZACQAIPSSA-N 2 2 348.535 2.280 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cccc3[nH]ccc32)C1=O ZINC000541205353 318093989 /nfs/dbraw/zinc/09/39/89/318093989.db2.gz YQLGLQOPKNGJMH-KRWDZBQOSA-N 2 2 337.427 2.182 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1=O ZINC000542157502 318122794 /nfs/dbraw/zinc/12/27/94/318122794.db2.gz AZTOOUOFIXZCAT-IAGOWNOFSA-N 2 2 342.418 2.327 10 0 EEAELP C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000543692775 318166133 /nfs/dbraw/zinc/16/61/33/318166133.db2.gz YLVXWPLELNDUEP-YOEHRIQHSA-N 2 2 327.432 2.068 10 0 EEAELP C[NH+](C)CCN(C(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCC1 ZINC000548765640 318410534 /nfs/dbraw/zinc/41/05/34/318410534.db2.gz XEQDWFJFDFMQAV-UHFFFAOYSA-N 2 2 327.432 2.214 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000563231979 318986847 /nfs/dbraw/zinc/98/68/47/318986847.db2.gz RGRWHWRQACBDDP-CQSZACIVSA-N 2 2 334.460 2.219 10 0 EEAELP COCC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000565891742 319224326 /nfs/dbraw/zinc/22/43/26/319224326.db2.gz CJKDMLWCRRKIHY-IBGZPJMESA-N 2 2 331.504 2.351 10 0 EEAELP COCC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000565891742 319224328 /nfs/dbraw/zinc/22/43/28/319224328.db2.gz CJKDMLWCRRKIHY-IBGZPJMESA-N 2 2 331.504 2.351 10 0 EEAELP COCC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565891742 319224330 /nfs/dbraw/zinc/22/43/30/319224330.db2.gz CJKDMLWCRRKIHY-IBGZPJMESA-N 2 2 331.504 2.351 10 0 EEAELP COCC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565891742 319224332 /nfs/dbraw/zinc/22/43/32/319224332.db2.gz CJKDMLWCRRKIHY-IBGZPJMESA-N 2 2 331.504 2.351 10 0 EEAELP COCCN(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565891742 319224333 /nfs/dbraw/zinc/22/43/33/319224333.db2.gz CJKDMLWCRRKIHY-IBGZPJMESA-N 2 2 331.504 2.351 10 0 EEAELP COCCN(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565891742 319224335 /nfs/dbraw/zinc/22/43/35/319224335.db2.gz CJKDMLWCRRKIHY-IBGZPJMESA-N 2 2 331.504 2.351 10 0 EEAELP CC(C)n1c[nH+]cc1C[NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O ZINC000566094552 319244246 /nfs/dbraw/zinc/24/42/46/319244246.db2.gz BWWFQEFZQQUVLW-KRWDZBQOSA-N 2 2 330.407 2.494 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3CCc4ccccc4[C@H]3C[NH3+])cn21 ZINC000580772741 324126130 /nfs/dbraw/zinc/12/61/30/324126130.db2.gz TXYPADNELIDWCT-GOSISDBHSA-N 2 2 349.438 2.410 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726945 450574306 /nfs/dbraw/zinc/57/43/06/450574306.db2.gz HOZGDGUTCOOEPP-HUUCEWRRSA-N 2 2 348.495 2.102 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(C(C)C)[nH+]1 ZINC000623726945 450574308 /nfs/dbraw/zinc/57/43/08/450574308.db2.gz HOZGDGUTCOOEPP-HUUCEWRRSA-N 2 2 348.495 2.102 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)NCCc1cccs1 ZINC000083967504 463569143 /nfs/dbraw/zinc/56/91/43/463569143.db2.gz LXAWLQJHHXRHGR-KBPBESRZSA-N 2 2 332.473 2.159 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000453309076 467479163 /nfs/dbraw/zinc/47/91/63/467479163.db2.gz OVWXHPPYDVEMLS-SCDSUCTJSA-N 2 2 327.270 2.145 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000453309076 467479168 /nfs/dbraw/zinc/47/91/68/467479168.db2.gz OVWXHPPYDVEMLS-SCDSUCTJSA-N 2 2 327.270 2.145 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@](F)(c3ccccc3C)C2)CC1 ZINC000337423780 465359985 /nfs/dbraw/zinc/35/99/85/465359985.db2.gz VUJJJIUXYHJFJE-YLJYHZDGSA-N 2 2 347.478 2.418 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@](F)(c3ccccc3C)C2)CC1 ZINC000337423780 465359987 /nfs/dbraw/zinc/35/99/87/465359987.db2.gz VUJJJIUXYHJFJE-YLJYHZDGSA-N 2 2 347.478 2.418 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000298345018 465369974 /nfs/dbraw/zinc/36/99/74/465369974.db2.gz GUQSZDPQEKEADG-UHFFFAOYSA-N 2 2 341.459 2.498 10 0 EEAELP C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000551984008 468289266 /nfs/dbraw/zinc/28/92/66/468289266.db2.gz MUAHWNXMNCLJBE-YDHLFZDLSA-N 2 2 328.416 2.418 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)nc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918986 462554295 /nfs/dbraw/zinc/55/42/95/462554295.db2.gz PNLZWUSMHVWAGL-UHFFFAOYSA-N 2 2 339.443 2.215 10 0 EEAELP CC(C)C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000128492529 462644791 /nfs/dbraw/zinc/64/47/91/462644791.db2.gz XNDGIECOFXUNIX-XNHLSEOASA-N 2 2 336.524 2.373 10 0 EEAELP CC(C)C[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000128492529 462644795 /nfs/dbraw/zinc/64/47/95/462644795.db2.gz XNDGIECOFXUNIX-XNHLSEOASA-N 2 2 336.524 2.373 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066176846 462859216 /nfs/dbraw/zinc/85/92/16/462859216.db2.gz WMJPVKJUFIFXCR-OAHLLOKOSA-N 2 2 347.850 2.367 10 0 EEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[NH+]3C)CC[N@H+]2C2CC2)c1 ZINC000155743980 462936364 /nfs/dbraw/zinc/93/63/64/462936364.db2.gz AMXMIMLTGHYNFA-GUDVDZBRSA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000155743980 462936367 /nfs/dbraw/zinc/93/63/67/462936367.db2.gz AMXMIMLTGHYNFA-GUDVDZBRSA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000155743980 462936370 /nfs/dbraw/zinc/93/63/70/462936370.db2.gz AMXMIMLTGHYNFA-GUDVDZBRSA-N 2 2 343.471 2.183 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000081095025 463394767 /nfs/dbraw/zinc/39/47/67/463394767.db2.gz PMBZDDOBQOTTQB-OCCSQVGLSA-N 2 2 336.505 2.232 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000081095025 463394769 /nfs/dbraw/zinc/39/47/69/463394769.db2.gz PMBZDDOBQOTTQB-OCCSQVGLSA-N 2 2 336.505 2.232 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000081095025 463394772 /nfs/dbraw/zinc/39/47/72/463394772.db2.gz PMBZDDOBQOTTQB-OCCSQVGLSA-N 2 2 336.505 2.232 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000081095025 463394775 /nfs/dbraw/zinc/39/47/75/463394775.db2.gz PMBZDDOBQOTTQB-OCCSQVGLSA-N 2 2 336.505 2.232 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150756528 463421953 /nfs/dbraw/zinc/42/19/53/463421953.db2.gz KVADKOKQEYNUNG-HZPDHXFCSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000150756528 463421957 /nfs/dbraw/zinc/42/19/57/463421957.db2.gz KVADKOKQEYNUNG-HZPDHXFCSA-N 2 2 333.451 2.421 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000071857254 463442680 /nfs/dbraw/zinc/44/26/80/463442680.db2.gz WBDCYFWHSFJOEK-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000105875709 463484881 /nfs/dbraw/zinc/48/48/81/463484881.db2.gz WXPZPZDRCBBOHO-UHFFFAOYSA-N 2 2 338.455 2.264 10 0 EEAELP CCc1ccc([C@@H](C[NH2+]C[C@H]2CNc3ccnn3C2)[NH+](C)C)cc1 ZINC000058296344 463571464 /nfs/dbraw/zinc/57/14/64/463571464.db2.gz MRFDXFKQHUZTGJ-FUHWJXTLSA-N 2 2 327.476 2.380 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)NCc1ccccc1F ZINC000084001257 463573624 /nfs/dbraw/zinc/57/36/24/463573624.db2.gz RLKJRPWFURRLGM-HIFRSBDPSA-N 2 2 330.407 2.194 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000084632993 463617990 /nfs/dbraw/zinc/61/79/90/463617990.db2.gz HVZHQLPDAVSMGK-KBPBESRZSA-N 2 2 330.436 2.155 10 0 EEAELP CC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000126633241 463652711 /nfs/dbraw/zinc/65/27/11/463652711.db2.gz USROXAAJDQPFRM-HNNXBMFYSA-N 2 2 329.444 2.445 10 0 EEAELP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000168595528 463667023 /nfs/dbraw/zinc/66/70/23/463667023.db2.gz XCSXZDMZOKULJY-UONOGXRCSA-N 2 2 337.414 2.188 10 0 EEAELP O=C(C[C@@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000168595528 463667027 /nfs/dbraw/zinc/66/70/27/463667027.db2.gz XCSXZDMZOKULJY-UONOGXRCSA-N 2 2 337.414 2.188 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc(CC(=O)NC)n2)C1 ZINC000177599907 463746585 /nfs/dbraw/zinc/74/65/85/463746585.db2.gz HEQKJTMHVRSOAT-CQSZACIVSA-N 2 2 347.488 2.028 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc(CC(=O)NC)n2)C1 ZINC000177599907 463746591 /nfs/dbraw/zinc/74/65/91/463746591.db2.gz HEQKJTMHVRSOAT-CQSZACIVSA-N 2 2 347.488 2.028 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000194351999 463843399 /nfs/dbraw/zinc/84/33/99/463843399.db2.gz RZKRBFUMHXSKIT-QGZVFWFLSA-N 2 2 346.475 2.125 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000194351999 463843403 /nfs/dbraw/zinc/84/34/03/463843403.db2.gz RZKRBFUMHXSKIT-QGZVFWFLSA-N 2 2 346.475 2.125 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1F ZINC000261895747 463891008 /nfs/dbraw/zinc/89/10/08/463891008.db2.gz HCDDWEZUYFERSA-UHOSZYNNSA-N 3 2 335.467 2.134 10 0 EEAELP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000178722648 463951951 /nfs/dbraw/zinc/95/19/51/463951951.db2.gz JSCYVVQVZNKBNN-UHFFFAOYSA-N 2 2 343.475 2.413 10 0 EEAELP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000287714763 463978239 /nfs/dbraw/zinc/97/82/39/463978239.db2.gz OHEHBJZFWZYNOT-STQMWFEESA-N 2 2 326.322 2.467 10 0 EEAELP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000262261192 463985175 /nfs/dbraw/zinc/98/51/75/463985175.db2.gz RFMJKPHSLBLSRG-FRQCXROJSA-N 2 2 340.427 2.343 10 0 EEAELP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccnn2-c2ccccc2)C[C@@H](C)O1 ZINC000279033295 464025948 /nfs/dbraw/zinc/02/59/48/464025948.db2.gz BQTYOKUHKLYVRS-IAGOWNOFSA-N 2 2 328.460 2.461 10 0 EEAELP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000352082182 465473061 /nfs/dbraw/zinc/47/30/61/465473061.db2.gz IGGQTJGNWLXJTI-KZNAEPCWSA-N 2 2 337.895 2.130 10 0 EEAELP CN1CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@H]1c1ccc(Cl)cc1 ZINC000352082182 465473066 /nfs/dbraw/zinc/47/30/66/465473066.db2.gz IGGQTJGNWLXJTI-KZNAEPCWSA-N 2 2 337.895 2.130 10 0 EEAELP C[N@@H+](C[C@H](O)CN[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082182 465473081 /nfs/dbraw/zinc/47/30/81/465473081.db2.gz IGGQTJGNWLXJTI-KZNAEPCWSA-N 2 2 337.895 2.130 10 0 EEAELP C[NH+](C[C@H](O)CN[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082182 465473087 /nfs/dbraw/zinc/47/30/87/465473087.db2.gz IGGQTJGNWLXJTI-KZNAEPCWSA-N 2 2 337.895 2.130 10 0 EEAELP C[NH+](C[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082182 465473096 /nfs/dbraw/zinc/47/30/96/465473096.db2.gz IGGQTJGNWLXJTI-KZNAEPCWSA-N 2 2 337.895 2.130 10 0 EEAELP COC(=O)c1ccccc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182210755 464599326 /nfs/dbraw/zinc/59/93/26/464599326.db2.gz FKFZPKZNWNBYPY-GOSISDBHSA-N 2 2 345.487 2.075 10 0 EEAELP COC(=O)c1ccccc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182210755 464599330 /nfs/dbraw/zinc/59/93/30/464599330.db2.gz FKFZPKZNWNBYPY-GOSISDBHSA-N 2 2 345.487 2.075 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719975 464609509 /nfs/dbraw/zinc/60/95/09/464609509.db2.gz KWFCBYPQNAOLQT-ZBFHGGJFSA-N 2 2 347.459 2.058 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719975 464609512 /nfs/dbraw/zinc/60/95/12/464609512.db2.gz KWFCBYPQNAOLQT-ZBFHGGJFSA-N 2 2 347.459 2.058 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719975 464609517 /nfs/dbraw/zinc/60/95/17/464609517.db2.gz KWFCBYPQNAOLQT-ZBFHGGJFSA-N 2 2 347.459 2.058 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175719975 464609519 /nfs/dbraw/zinc/60/95/19/464609519.db2.gz KWFCBYPQNAOLQT-ZBFHGGJFSA-N 2 2 347.459 2.058 10 0 EEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248384988 464746957 /nfs/dbraw/zinc/74/69/57/464746957.db2.gz GUAQEAUJBIVFHB-RHSMWYFYSA-N 2 2 347.459 2.264 10 0 EEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000248384988 464746963 /nfs/dbraw/zinc/74/69/63/464746963.db2.gz GUAQEAUJBIVFHB-RHSMWYFYSA-N 2 2 347.459 2.264 10 0 EEAELP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)CCO1 ZINC000275502789 464776943 /nfs/dbraw/zinc/77/69/43/464776943.db2.gz JUDGGUMFYPDMGO-WMLDXEAASA-N 2 2 329.400 2.201 10 0 EEAELP C[C@@H](C(=O)NCCc1cccs1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266757949 464811604 /nfs/dbraw/zinc/81/16/04/464811604.db2.gz PJUFAFQXNJKMBA-ZDUSSCGKSA-N 2 2 332.473 2.398 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C/C=C/c2cccc(F)c2)CC1 ZINC000177065620 464922047 /nfs/dbraw/zinc/92/20/47/464922047.db2.gz HQSHQRAIJDDVCZ-GQCTYLIASA-N 2 2 333.451 2.371 10 0 EEAELP Cn1c[nH+]cc1CC[N@@H+]1CCN(Cc2ccccc2)C(=O)C1(C)C ZINC000298150262 465316481 /nfs/dbraw/zinc/31/64/81/465316481.db2.gz RNXXLTVWPFQKNK-UHFFFAOYSA-N 2 2 326.444 2.086 10 0 EEAELP Cn1c[nH+]cc1CC[N@H+]1CCN(Cc2ccccc2)C(=O)C1(C)C ZINC000298150262 465316483 /nfs/dbraw/zinc/31/64/83/465316483.db2.gz RNXXLTVWPFQKNK-UHFFFAOYSA-N 2 2 326.444 2.086 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000357220035 465867832 /nfs/dbraw/zinc/86/78/32/465867832.db2.gz LJOIXCKURCRXHN-QGZVFWFLSA-N 2 2 347.507 2.219 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000357220035 465867837 /nfs/dbraw/zinc/86/78/37/465867837.db2.gz LJOIXCKURCRXHN-QGZVFWFLSA-N 2 2 347.507 2.219 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000346171085 465960003 /nfs/dbraw/zinc/96/00/03/465960003.db2.gz NVTDIDLGAMEPIQ-LPHOPBHVSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000346171085 465960008 /nfs/dbraw/zinc/96/00/08/465960008.db2.gz NVTDIDLGAMEPIQ-LPHOPBHVSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000346171085 465960015 /nfs/dbraw/zinc/96/00/15/465960015.db2.gz NVTDIDLGAMEPIQ-LPHOPBHVSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000346171085 465960024 /nfs/dbraw/zinc/96/00/24/465960024.db2.gz NVTDIDLGAMEPIQ-LPHOPBHVSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1cc(NC(=O)C[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)n(C)n1 ZINC000371734458 465969053 /nfs/dbraw/zinc/96/90/53/465969053.db2.gz NWRSTXGUUGPMKI-UHFFFAOYSA-N 2 2 327.432 2.250 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357829668 466245891 /nfs/dbraw/zinc/24/58/91/466245891.db2.gz LLTCPVQEZWBYLA-OAGGEKHMSA-N 2 2 347.507 2.324 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357829668 466245900 /nfs/dbraw/zinc/24/59/00/466245900.db2.gz LLTCPVQEZWBYLA-OAGGEKHMSA-N 2 2 347.507 2.324 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](C3CC3)C1)C2 ZINC000372406811 466358178 /nfs/dbraw/zinc/35/81/78/466358178.db2.gz ZZWZMMRJIWHZQM-MJBXVCDLSA-N 2 2 330.476 2.379 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@H]1C[C@H](C)[N@H+](C3CC3)C1)C2 ZINC000372406811 466358182 /nfs/dbraw/zinc/35/81/82/466358182.db2.gz ZZWZMMRJIWHZQM-MJBXVCDLSA-N 2 2 330.476 2.379 10 0 EEAELP COc1ccc(OC)c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000367615792 466450533 /nfs/dbraw/zinc/45/05/33/466450533.db2.gz DDAZETQWPRYRAP-SFHVURJKSA-N 2 2 347.503 2.304 10 0 EEAELP COc1ccc(OC)c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000367615792 466450536 /nfs/dbraw/zinc/45/05/36/466450536.db2.gz DDAZETQWPRYRAP-SFHVURJKSA-N 2 2 347.503 2.304 10 0 EEAELP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H](C)[NH3+] ZINC000415366869 466656262 /nfs/dbraw/zinc/65/62/62/466656262.db2.gz XDRFJKZWWOPZRX-QWHCGFSZSA-N 2 2 325.416 2.459 10 0 EEAELP CCCc1occc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373040117 466672553 /nfs/dbraw/zinc/67/25/53/466672553.db2.gz AIMNIIBGJBTQHW-INIZCTEOSA-N 2 2 333.476 2.473 10 0 EEAELP CCCc1occc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373040117 466672557 /nfs/dbraw/zinc/67/25/57/466672557.db2.gz AIMNIIBGJBTQHW-INIZCTEOSA-N 2 2 333.476 2.473 10 0 EEAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423577084 466776799 /nfs/dbraw/zinc/77/67/99/466776799.db2.gz RVFGBSQHUWFIPU-RNCFNFMXSA-N 2 2 329.213 2.154 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4[nH]ccc4s3)C2)CC1 ZINC000373510153 466827610 /nfs/dbraw/zinc/82/76/10/466827610.db2.gz RTNGCRFEPWERRV-GFCCVEGCSA-N 2 2 332.473 2.128 10 0 EEAELP [NH3+]C[C@H](NC(=O)NCc1[nH+]ccn1CC(F)(F)F)C1CCCCC1 ZINC000417469864 466865853 /nfs/dbraw/zinc/86/58/53/466865853.db2.gz RAXUMHNFVROVCG-LBPRGKRZSA-N 2 2 347.385 2.152 10 0 EEAELP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366105387 467060448 /nfs/dbraw/zinc/06/04/48/467060448.db2.gz LNWARXCZYAPHNV-MRXNPFEDSA-N 2 2 347.507 2.421 10 0 EEAELP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366105387 467060451 /nfs/dbraw/zinc/06/04/51/467060451.db2.gz LNWARXCZYAPHNV-MRXNPFEDSA-N 2 2 347.507 2.421 10 0 EEAELP CCCC[N@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366105387 467060454 /nfs/dbraw/zinc/06/04/54/467060454.db2.gz LNWARXCZYAPHNV-MRXNPFEDSA-N 2 2 347.507 2.421 10 0 EEAELP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366105387 467060456 /nfs/dbraw/zinc/06/04/56/467060456.db2.gz LNWARXCZYAPHNV-MRXNPFEDSA-N 2 2 347.507 2.421 10 0 EEAELP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418559554 467128790 /nfs/dbraw/zinc/12/87/90/467128790.db2.gz QXQCFAMSFILAQC-DOTOQJQBSA-N 2 2 333.480 2.083 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000378075688 467192758 /nfs/dbraw/zinc/19/27/58/467192758.db2.gz HDCABUOGSOZVEL-IBGZPJMESA-N 2 2 341.459 2.274 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000378075688 467192761 /nfs/dbraw/zinc/19/27/61/467192761.db2.gz HDCABUOGSOZVEL-IBGZPJMESA-N 2 2 341.459 2.274 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000378079004 467193275 /nfs/dbraw/zinc/19/32/75/467193275.db2.gz MBDQDRQYEBOBOH-RHSMWYFYSA-N 2 2 333.480 2.077 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000378079004 467193278 /nfs/dbraw/zinc/19/32/78/467193278.db2.gz MBDQDRQYEBOBOH-RHSMWYFYSA-N 2 2 333.480 2.077 10 0 EEAELP Cc1cccc2[nH+]cc(CNc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)n21 ZINC000433177404 467301373 /nfs/dbraw/zinc/30/13/73/467301373.db2.gz SHIVZCCJQTUIJE-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP Cc1cccc2[nH+]cc(CNc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)n21 ZINC000433177404 467301375 /nfs/dbraw/zinc/30/13/75/467301375.db2.gz SHIVZCCJQTUIJE-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP Cc1cccn2c(CNc3ccc4c(c3)C[N@@H+](CC(N)=O)CC4)c[nH+]c12 ZINC000433199728 467306090 /nfs/dbraw/zinc/30/60/90/467306090.db2.gz DRCNVGGTPXZIQC-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP Cc1cccn2c(CNc3ccc4c(c3)C[N@H+](CC(N)=O)CC4)c[nH+]c12 ZINC000433199728 467306093 /nfs/dbraw/zinc/30/60/93/467306093.db2.gz DRCNVGGTPXZIQC-UHFFFAOYSA-N 2 2 349.438 2.098 10 0 EEAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000414128399 467380154 /nfs/dbraw/zinc/38/01/54/467380154.db2.gz UAIRSDFPVWYFKB-NEPJUHHUSA-N 2 2 342.281 2.072 10 0 EEAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000414128399 467380157 /nfs/dbraw/zinc/38/01/57/467380157.db2.gz UAIRSDFPVWYFKB-NEPJUHHUSA-N 2 2 342.281 2.072 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420384551 467388825 /nfs/dbraw/zinc/38/88/25/467388825.db2.gz UFDCBUWUKOWHNB-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420384551 467388827 /nfs/dbraw/zinc/38/88/27/467388827.db2.gz UFDCBUWUKOWHNB-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000386557689 467390698 /nfs/dbraw/zinc/39/06/98/467390698.db2.gz UYIQGEAHRZLAGK-BZUAXINKSA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000386557689 467390699 /nfs/dbraw/zinc/39/06/99/467390699.db2.gz UYIQGEAHRZLAGK-BZUAXINKSA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)nc[nH+]c1N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000386557689 467390702 /nfs/dbraw/zinc/39/07/02/467390702.db2.gz UYIQGEAHRZLAGK-BZUAXINKSA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)nc[nH+]c1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000386557689 467390704 /nfs/dbraw/zinc/39/07/04/467390704.db2.gz UYIQGEAHRZLAGK-BZUAXINKSA-N 2 2 339.443 2.390 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266383 467398628 /nfs/dbraw/zinc/39/86/28/467398628.db2.gz PVEPJUOLWQKHOZ-HRCADAONSA-N 2 2 341.496 2.085 10 0 EEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266383 467398631 /nfs/dbraw/zinc/39/86/31/467398631.db2.gz PVEPJUOLWQKHOZ-HRCADAONSA-N 2 2 341.496 2.085 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277680 467476902 /nfs/dbraw/zinc/47/69/02/467476902.db2.gz YGPQXQIMWPUONW-PKOBYXMFSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277680 467476903 /nfs/dbraw/zinc/47/69/03/467476903.db2.gz YGPQXQIMWPUONW-PKOBYXMFSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449392512 467636799 /nfs/dbraw/zinc/63/67/99/467636799.db2.gz KFMISFAGKWSJQN-CVEARBPZSA-N 2 2 330.476 2.320 10 0 EEAELP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449392512 467636801 /nfs/dbraw/zinc/63/68/01/467636801.db2.gz KFMISFAGKWSJQN-CVEARBPZSA-N 2 2 330.476 2.320 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OC(F)F ZINC000449392181 467636882 /nfs/dbraw/zinc/63/68/82/467636882.db2.gz JLHUTIKFOOQIIA-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OC(F)F ZINC000449392181 467636884 /nfs/dbraw/zinc/63/68/84/467636884.db2.gz JLHUTIKFOOQIIA-AWEZNQCLSA-N 2 2 344.402 2.233 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1C ZINC000449392321 467637031 /nfs/dbraw/zinc/63/70/31/467637031.db2.gz JRZWDLCVIXLKGN-SJLPKXTDSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1C ZINC000449392321 467637034 /nfs/dbraw/zinc/63/70/34/467637034.db2.gz JRZWDLCVIXLKGN-SJLPKXTDSA-N 2 2 347.503 2.457 10 0 EEAELP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457779142 467702337 /nfs/dbraw/zinc/70/23/37/467702337.db2.gz FGSXHQVBSMJMMD-KRWDZBQOSA-N 2 2 345.491 2.176 10 0 EEAELP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000457779142 467702340 /nfs/dbraw/zinc/70/23/40/467702340.db2.gz FGSXHQVBSMJMMD-KRWDZBQOSA-N 2 2 345.491 2.176 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000529209246 467828243 /nfs/dbraw/zinc/82/82/43/467828243.db2.gz TUURPYQLCAFQFI-UHFFFAOYSA-N 2 2 327.432 2.131 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000529291661 467840758 /nfs/dbraw/zinc/84/07/58/467840758.db2.gz QJUYXJKFNWWDOQ-HZPDHXFCSA-N 2 2 339.443 2.093 10 0 EEAELP C[C@@H](CCNC(=O)NCCc1cn(C)c[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000458497295 467845988 /nfs/dbraw/zinc/84/59/88/467845988.db2.gz JRJLBBKNRKEUEU-INIZCTEOSA-N 2 2 343.475 2.172 10 0 EEAELP C[C@@H](CCNC(=O)NCCc1cn(C)c[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000458497295 467845992 /nfs/dbraw/zinc/84/59/92/467845992.db2.gz JRJLBBKNRKEUEU-INIZCTEOSA-N 2 2 343.475 2.172 10 0 EEAELP COc1ccccc1-n1nccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514861229 467959330 /nfs/dbraw/zinc/95/93/30/467959330.db2.gz BLDIEBBZQGIRDV-IBGZPJMESA-N 2 2 326.444 2.456 10 0 EEAELP COc1ccccc1-n1nccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514861229 467959333 /nfs/dbraw/zinc/95/93/33/467959333.db2.gz BLDIEBBZQGIRDV-IBGZPJMESA-N 2 2 326.444 2.456 10 0 EEAELP COc1ccc([C@H](N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000567639726 468175939 /nfs/dbraw/zinc/17/59/39/468175939.db2.gz QKDHTCXCYIKZRI-BJZITVGISA-N 2 2 326.444 2.359 10 0 EEAELP O=C(Nc1nccs1)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000519828360 468218057 /nfs/dbraw/zinc/21/80/57/468218057.db2.gz OKQODEHKSQZEOT-MRXNPFEDSA-N 2 2 342.468 2.392 10 0 EEAELP O=C(Nc1nccs1)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000519828360 468218060 /nfs/dbraw/zinc/21/80/60/468218060.db2.gz OKQODEHKSQZEOT-MRXNPFEDSA-N 2 2 342.468 2.392 10 0 EEAELP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000519855339 468222400 /nfs/dbraw/zinc/22/24/00/468222400.db2.gz FDSIXOYVTASLCY-UAGQMJEPSA-N 2 2 330.476 2.493 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000582720443 468583987 /nfs/dbraw/zinc/58/39/87/468583987.db2.gz NDQQEPQWLUZNHD-INIZCTEOSA-N 2 2 339.867 2.369 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000582720443 468583990 /nfs/dbraw/zinc/58/39/90/468583990.db2.gz NDQQEPQWLUZNHD-INIZCTEOSA-N 2 2 339.867 2.369 10 0 EEAELP CN(C)C(=O)CC[NH+]1CCC(Nc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000563037901 469146744 /nfs/dbraw/zinc/14/67/44/469146744.db2.gz HRUSKGIFDSBSCC-UHFFFAOYSA-N 2 2 344.434 2.729 10 0 EEAELP Cc1cccn2c(NC(=O)[C@H]([NH2+]C3CCOCC3)C(C)C)c[nH+]c12 ZINC000622174463 469394560 /nfs/dbraw/zinc/39/45/60/469394560.db2.gz DOVKTRHOXSVJJI-MRXNPFEDSA-N 2 2 330.432 2.374 10 0 EEAELP C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[NH2+]1 ZINC000625859209 469413351 /nfs/dbraw/zinc/41/33/51/469413351.db2.gz HOMRKAKYCZWHAW-LSDHHAIUSA-N 2 2 343.431 2.224 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000625859654 469414698 /nfs/dbraw/zinc/41/46/98/469414698.db2.gz XTZQGPXEEIFXOV-LSDHHAIUSA-N 2 2 343.431 2.224 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](C)[C@H](n3cc[nH+]c3)C1)CC2 ZINC000626092976 469500226 /nfs/dbraw/zinc/50/02/26/469500226.db2.gz LOKOGYZUYFHJRB-FVQBIDKESA-N 2 2 327.432 2.060 10 0 EEAELP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C(F)(F)F ZINC000626270060 469560526 /nfs/dbraw/zinc/56/05/26/469560526.db2.gz MOJJOMXWYHKRQQ-JKXDFHQYSA-N 2 2 347.425 2.344 10 0 EEAELP C[C@H](CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(F)(F)F ZINC000626270060 469560530 /nfs/dbraw/zinc/56/05/30/469560530.db2.gz MOJJOMXWYHKRQQ-JKXDFHQYSA-N 2 2 347.425 2.344 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000629525781 469572881 /nfs/dbraw/zinc/57/28/81/469572881.db2.gz BPBVJGREXZXSPC-XOKHGSTOSA-N 2 2 337.489 2.018 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428915 469653759 /nfs/dbraw/zinc/65/37/59/469653759.db2.gz DXDBWUQUYQDPEB-ICSRJNTNSA-N 3 2 331.504 2.086 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428915 469653763 /nfs/dbraw/zinc/65/37/63/469653763.db2.gz DXDBWUQUYQDPEB-ICSRJNTNSA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623428915 469653767 /nfs/dbraw/zinc/65/37/67/469653767.db2.gz DXDBWUQUYQDPEB-ICSRJNTNSA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+]1CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623428915 469653771 /nfs/dbraw/zinc/65/37/71/469653771.db2.gz DXDBWUQUYQDPEB-ICSRJNTNSA-N 3 2 331.504 2.086 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1OC1CC1 ZINC000623427184 469654556 /nfs/dbraw/zinc/65/45/56/469654556.db2.gz PNKPXFZQONLJQC-HNNXBMFYSA-N 2 2 334.460 2.294 10 0 EEAELP CCC(CC)[C@@H](C(=O)Nc1ccc2[nH+]ccn2c1)[NH+]1CCOCC1 ZINC000607906638 469724993 /nfs/dbraw/zinc/72/49/93/469724993.db2.gz MZUSCGLGVKQIHP-KRWDZBQOSA-N 2 2 330.432 2.410 10 0 EEAELP Cc1[nH]c2ccccc2c1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768307 469798479 /nfs/dbraw/zinc/79/84/79/469798479.db2.gz YGQNAAZKAQPKFO-UHFFFAOYSA-N 2 2 330.476 2.019 10 0 EEAELP Cc1[nH]c2ccccc2c1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768307 469798481 /nfs/dbraw/zinc/79/84/81/469798481.db2.gz YGQNAAZKAQPKFO-UHFFFAOYSA-N 2 2 330.476 2.019 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC([N@H+](C)Cc3ccccc3)C1)CC2 ZINC000627124478 469819829 /nfs/dbraw/zinc/81/98/29/469819829.db2.gz UEIJBXDQQBDHDN-QGZVFWFLSA-N 2 2 338.455 2.097 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC([N@@H+](C)Cc3ccccc3)C1)CC2 ZINC000627124478 469819835 /nfs/dbraw/zinc/81/98/35/469819835.db2.gz UEIJBXDQQBDHDN-QGZVFWFLSA-N 2 2 338.455 2.097 10 0 EEAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630732464 469972553 /nfs/dbraw/zinc/97/25/53/469972553.db2.gz YZFPKHTUUSXTSK-INIZCTEOSA-N 2 2 326.444 2.405 10 0 EEAELP c1nc(NC[C@H]2CC[N@@H+]2C2CCCC2)cc(N2CCSCC2)[nH+]1 ZINC000624639152 469995813 /nfs/dbraw/zinc/99/58/13/469995813.db2.gz FJKLESVKNKELQB-OAHLLOKOSA-N 2 2 333.505 2.459 10 0 EEAELP c1nc(NC[C@H]2CC[N@H+]2C2CCCC2)cc(N2CCSCC2)[nH+]1 ZINC000624639152 469995816 /nfs/dbraw/zinc/99/58/16/469995816.db2.gz FJKLESVKNKELQB-OAHLLOKOSA-N 2 2 333.505 2.459 10 0 EEAELP c1nc(NC[C@@H]2CC[N@@H+]2C2CCCC2)cc(N2CCSCC2)[nH+]1 ZINC000624639151 469995890 /nfs/dbraw/zinc/99/58/90/469995890.db2.gz FJKLESVKNKELQB-HNNXBMFYSA-N 2 2 333.505 2.459 10 0 EEAELP c1nc(NC[C@@H]2CC[N@H+]2C2CCCC2)cc(N2CCSCC2)[nH+]1 ZINC000624639151 469995894 /nfs/dbraw/zinc/99/58/94/469995894.db2.gz FJKLESVKNKELQB-HNNXBMFYSA-N 2 2 333.505 2.459 10 0 EEAELP C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630924217 470028845 /nfs/dbraw/zinc/02/88/45/470028845.db2.gz OCMNDXXVGFIDTH-GOSISDBHSA-N 2 2 326.444 2.358 10 0 EEAELP COc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631843453 470187477 /nfs/dbraw/zinc/18/74/77/470187477.db2.gz OELNPAAJXNROQJ-ZYHUDNBSSA-N 2 2 343.265 2.493 10 0 EEAELP COc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000631843453 470187478 /nfs/dbraw/zinc/18/74/78/470187478.db2.gz OELNPAAJXNROQJ-ZYHUDNBSSA-N 2 2 343.265 2.493 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634685998 470279750 /nfs/dbraw/zinc/27/97/50/470279750.db2.gz ZLAXYWDEJGSFCR-OALUTQOASA-N 2 2 331.504 2.350 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000634685998 470279752 /nfs/dbraw/zinc/27/97/52/470279752.db2.gz ZLAXYWDEJGSFCR-OALUTQOASA-N 2 2 331.504 2.350 10 0 EEAELP C[C@](O)(C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000634704384 470282194 /nfs/dbraw/zinc/28/21/94/470282194.db2.gz KFOZLYUFWGKQKL-AQNXPRMDSA-N 2 2 332.488 2.153 10 0 EEAELP C[C@](O)(C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000634704384 470282195 /nfs/dbraw/zinc/28/21/95/470282195.db2.gz KFOZLYUFWGKQKL-AQNXPRMDSA-N 2 2 332.488 2.153 10 0 EEAELP c1cnn(C2CC([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000639104746 470389850 /nfs/dbraw/zinc/38/98/50/470389850.db2.gz MKQBWXPAYLJCNW-MHJFOBGBSA-N 2 2 340.471 2.467 10 0 EEAELP c1cnn(C2CC([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000639104746 470389854 /nfs/dbraw/zinc/38/98/54/470389854.db2.gz MKQBWXPAYLJCNW-MHJFOBGBSA-N 2 2 340.471 2.467 10 0 EEAELP O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634979146 470390465 /nfs/dbraw/zinc/39/04/65/470390465.db2.gz WOFDURLKBHCMNA-ZWKOTPCHSA-N 2 2 336.501 2.065 10 0 EEAELP O=S1(=O)CCC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634979146 470390469 /nfs/dbraw/zinc/39/04/69/470390469.db2.gz WOFDURLKBHCMNA-ZWKOTPCHSA-N 2 2 336.501 2.065 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649294420 470533790 /nfs/dbraw/zinc/53/37/90/470533790.db2.gz SMTCKVPWENVRPI-UTXMOHQDSA-N 2 2 333.863 2.011 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)[nH+]c12 ZINC000646138079 470541320 /nfs/dbraw/zinc/54/13/20/470541320.db2.gz ALVUBKXBVODFCJ-KRWDZBQOSA-N 2 2 340.402 2.183 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647339844 470884984 /nfs/dbraw/zinc/88/49/84/470884984.db2.gz BEXINFWGNSTDLS-POAQFYNOSA-N 2 2 347.503 2.059 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647339844 470884990 /nfs/dbraw/zinc/88/49/90/470884990.db2.gz BEXINFWGNSTDLS-POAQFYNOSA-N 2 2 347.503 2.059 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000650670513 470935913 /nfs/dbraw/zinc/93/59/13/470935913.db2.gz QCTLJZCRDXDKOY-UHFFFAOYSA-N 2 2 347.507 2.328 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000650670513 470935920 /nfs/dbraw/zinc/93/59/20/470935920.db2.gz QCTLJZCRDXDKOY-UHFFFAOYSA-N 2 2 347.507 2.328 10 0 EEAELP CCO[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000650715153 470949190 /nfs/dbraw/zinc/94/91/90/470949190.db2.gz ROJRGAJRAWXDEO-RTBURBONSA-N 3 2 333.520 2.440 10 0 EEAELP CCO[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000650715153 470949195 /nfs/dbraw/zinc/94/91/95/470949195.db2.gz ROJRGAJRAWXDEO-RTBURBONSA-N 3 2 333.520 2.440 10 0 EEAELP CCO[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000650715153 470949197 /nfs/dbraw/zinc/94/91/97/470949197.db2.gz ROJRGAJRAWXDEO-RTBURBONSA-N 3 2 333.520 2.440 10 0 EEAELP CCO[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000650715153 470949199 /nfs/dbraw/zinc/94/91/99/470949199.db2.gz ROJRGAJRAWXDEO-RTBURBONSA-N 3 2 333.520 2.440 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901449 471011961 /nfs/dbraw/zinc/01/19/61/471011961.db2.gz OXNJKXALMYWCFW-SJLPKXTDSA-N 2 2 336.501 2.314 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901449 471011964 /nfs/dbraw/zinc/01/19/64/471011964.db2.gz OXNJKXALMYWCFW-SJLPKXTDSA-N 2 2 336.501 2.314 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000651190820 471083247 /nfs/dbraw/zinc/08/32/47/471083247.db2.gz AOIPQDRZNDTJDP-UHFFFAOYSA-N 2 2 336.480 2.085 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000651190820 471083251 /nfs/dbraw/zinc/08/32/51/471083251.db2.gz AOIPQDRZNDTJDP-UHFFFAOYSA-N 2 2 336.480 2.085 10 0 EEAELP CC[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CO1 ZINC000657331362 471100382 /nfs/dbraw/zinc/10/03/82/471100382.db2.gz ZUUQOVIDOVAHFR-ROUUACIJSA-N 2 2 334.460 2.055 10 0 EEAELP Nc1nc(NCc2[nH+]ccn2CCc2ccccc2)c2c([nH+]1)CCCC2 ZINC000645187851 471169789 /nfs/dbraw/zinc/16/97/89/471169789.db2.gz PMSNZBQFQRDMPC-UHFFFAOYSA-N 2 2 348.454 2.411 10 0 EEAELP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596970 471179116 /nfs/dbraw/zinc/17/91/16/471179116.db2.gz PTTONCFCOMJBSC-LJQANCHMSA-N 3 2 340.471 2.004 10 0 EEAELP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596970 471179118 /nfs/dbraw/zinc/17/91/18/471179118.db2.gz PTTONCFCOMJBSC-LJQANCHMSA-N 3 2 340.471 2.004 10 0 EEAELP O[C@@]1(CC[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CCOC1 ZINC000651944569 471179724 /nfs/dbraw/zinc/17/97/24/471179724.db2.gz ZATRDAMSCFRAFE-SFHVURJKSA-N 2 2 338.879 2.436 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000645234451 471186392 /nfs/dbraw/zinc/18/63/92/471186392.db2.gz SIOQQBCONOPZDG-FOIPXRHGSA-N 2 2 348.535 2.280 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000645234451 471186396 /nfs/dbraw/zinc/18/63/96/471186396.db2.gz SIOQQBCONOPZDG-FOIPXRHGSA-N 2 2 348.535 2.280 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000657801216 471235729 /nfs/dbraw/zinc/23/57/29/471235729.db2.gz OYWABQMPEAIVKB-UXHICEINSA-N 2 2 343.515 2.494 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000657801216 471235731 /nfs/dbraw/zinc/23/57/31/471235731.db2.gz OYWABQMPEAIVKB-UXHICEINSA-N 2 2 343.515 2.494 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)NCCCNc1cccc[nH+]1 ZINC000652130771 471241570 /nfs/dbraw/zinc/24/15/70/471241570.db2.gz ZFPICLYIKKHCOY-UHFFFAOYSA-N 2 2 327.432 2.102 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000655106862 471266257 /nfs/dbraw/zinc/26/62/57/471266257.db2.gz NEIIOTWLVGQLKM-GOSISDBHSA-N 2 2 326.444 2.134 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000655106862 471266259 /nfs/dbraw/zinc/26/62/59/471266259.db2.gz NEIIOTWLVGQLKM-GOSISDBHSA-N 2 2 326.444 2.134 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658340549 471290040 /nfs/dbraw/zinc/29/00/40/471290040.db2.gz CIVDGBFOLGXUHM-OALUTQOASA-N 2 2 329.488 2.104 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000658340549 471290042 /nfs/dbraw/zinc/29/00/42/471290042.db2.gz CIVDGBFOLGXUHM-OALUTQOASA-N 2 2 329.488 2.104 10 0 EEAELP CC[N@@H+]1CC[C@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344924 471290925 /nfs/dbraw/zinc/29/09/25/471290925.db2.gz SOZZCTRWIAFHMN-GIVPXCGWSA-N 2 2 344.547 2.123 10 0 EEAELP CC[N@H+]1CC[C@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344924 471290927 /nfs/dbraw/zinc/29/09/27/471290927.db2.gz SOZZCTRWIAFHMN-GIVPXCGWSA-N 2 2 344.547 2.123 10 0 EEAELP CC[NH+]1CC[C@H](NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344924 471290928 /nfs/dbraw/zinc/29/09/28/471290928.db2.gz SOZZCTRWIAFHMN-GIVPXCGWSA-N 2 2 344.547 2.123 10 0 EEAELP CC[NH+]1CC[C@H](NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658344924 471290930 /nfs/dbraw/zinc/29/09/30/471290930.db2.gz SOZZCTRWIAFHMN-GIVPXCGWSA-N 2 2 344.547 2.123 10 0 EEAELP Cc1[nH]ncc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000666234737 471324000 /nfs/dbraw/zinc/32/40/00/471324000.db2.gz RMRQNKOFXWPWMS-HNNXBMFYSA-N 2 2 328.460 2.396 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663374961 471346544 /nfs/dbraw/zinc/34/65/44/471346544.db2.gz INNVSKLCQWKHNE-DBVUQKKJSA-N 2 2 328.456 2.191 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663374961 471346549 /nfs/dbraw/zinc/34/65/49/471346549.db2.gz INNVSKLCQWKHNE-DBVUQKKJSA-N 2 2 328.456 2.191 10 0 EEAELP c1cn(Cc2ccccc2)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000655718897 471454572 /nfs/dbraw/zinc/45/45/72/471454572.db2.gz FXKJGHLQSYFVDX-IBGZPJMESA-N 2 2 340.471 2.274 10 0 EEAELP C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000663736747 471497637 /nfs/dbraw/zinc/49/76/37/471497637.db2.gz YQTWVKXICXPZRK-GDBMZVCRSA-N 2 2 336.480 2.086 10 0 EEAELP C[C@@H]1C[C@H]1c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000663736747 471497642 /nfs/dbraw/zinc/49/76/42/471497642.db2.gz YQTWVKXICXPZRK-GDBMZVCRSA-N 2 2 336.480 2.086 10 0 EEAELP [NH3+]CCC[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000653162403 471514575 /nfs/dbraw/zinc/51/45/75/471514575.db2.gz FYEBGYTYTJZERT-KRWDZBQOSA-N 2 2 326.444 2.358 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659442151 471630446 /nfs/dbraw/zinc/63/04/46/471630446.db2.gz ZDSZMWGAQOAFAG-QGZVFWFLSA-N 2 2 333.480 2.085 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[N@@H+]1C ZINC000653564900 471667989 /nfs/dbraw/zinc/66/79/89/471667989.db2.gz QXISLSLMJMODFJ-WCQYABFASA-N 2 2 332.370 2.332 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[N@H+]1C ZINC000653564900 471667995 /nfs/dbraw/zinc/66/79/95/471667995.db2.gz QXISLSLMJMODFJ-WCQYABFASA-N 2 2 332.370 2.332 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[NH+]1C ZINC000653564900 471667999 /nfs/dbraw/zinc/66/79/99/471667999.db2.gz QXISLSLMJMODFJ-WCQYABFASA-N 2 2 332.370 2.332 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[NH+]1C ZINC000653564900 471668000 /nfs/dbraw/zinc/66/80/00/471668000.db2.gz QXISLSLMJMODFJ-WCQYABFASA-N 2 2 332.370 2.332 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670077927 471669854 /nfs/dbraw/zinc/66/98/54/471669854.db2.gz JYOFYFGQZXBMHW-GASCZTMLSA-N 2 2 347.507 2.448 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670077927 471669859 /nfs/dbraw/zinc/66/98/59/471669859.db2.gz JYOFYFGQZXBMHW-GASCZTMLSA-N 2 2 347.507 2.448 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]CCc2ccc(Cl)cc2)C1=O ZINC000656536930 471750997 /nfs/dbraw/zinc/75/09/97/471750997.db2.gz CGASYKSMLSWRLK-INIZCTEOSA-N 2 2 346.862 2.397 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]CCc2ccc(Cl)cc2)C1=O ZINC000656536931 471751303 /nfs/dbraw/zinc/75/13/03/471751303.db2.gz CGASYKSMLSWRLK-MRXNPFEDSA-N 2 2 346.862 2.397 10 0 EEAELP C[C@@H]1CC(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)C[C@@H](C)C1 ZINC000664537523 471786130 /nfs/dbraw/zinc/78/61/30/471786130.db2.gz NQZIDFWXXKTEEF-HOTGVXAUSA-N 2 2 338.540 2.384 10 0 EEAELP Cc1cc(NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cn2cc[nH+]c12 ZINC000654102276 471837873 /nfs/dbraw/zinc/83/78/73/471837873.db2.gz OVRBRMMISNBFOV-SOUVJXGZSA-N 2 2 345.447 2.262 10 0 EEAELP Cc1cc(NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn2cc[nH+]c12 ZINC000654102276 471837877 /nfs/dbraw/zinc/83/78/77/471837877.db2.gz OVRBRMMISNBFOV-SOUVJXGZSA-N 2 2 345.447 2.262 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661705785 471858011 /nfs/dbraw/zinc/85/80/11/471858011.db2.gz XJQCQUPBAPKZMS-WTANOLMUSA-N 2 2 340.427 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661705785 471858014 /nfs/dbraw/zinc/85/80/14/471858014.db2.gz XJQCQUPBAPKZMS-WTANOLMUSA-N 2 2 340.427 2.372 10 0 EEAELP O=C1CCCCN1C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667676281 471863851 /nfs/dbraw/zinc/86/38/51/471863851.db2.gz KYCWKAWXAAGARK-UHFFFAOYSA-N 2 2 339.443 2.244 10 0 EEAELP C[C@@H](NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1)c1[nH+]ccn1C ZINC000660280826 471926768 /nfs/dbraw/zinc/92/67/68/471926768.db2.gz BPZVGTYETSEJPD-LSDHHAIUSA-N 2 2 341.459 2.227 10 0 EEAELP C[C@@H](NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1[nH+]ccn1C ZINC000660280826 471926773 /nfs/dbraw/zinc/92/67/73/471926773.db2.gz BPZVGTYETSEJPD-LSDHHAIUSA-N 2 2 341.459 2.227 10 0 EEAELP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000662015359 471958227 /nfs/dbraw/zinc/95/82/27/471958227.db2.gz VPGYZVVZQJBTPP-QGZVFWFLSA-N 2 2 327.432 2.060 10 0 EEAELP CN(C)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000662015359 471958236 /nfs/dbraw/zinc/95/82/36/471958236.db2.gz VPGYZVVZQJBTPP-QGZVFWFLSA-N 2 2 327.432 2.060 10 0 EEAELP C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(OCc2nccn2C)cc1 ZINC000665276551 471987903 /nfs/dbraw/zinc/98/79/03/471987903.db2.gz GEIRBLKYDIRHOU-TZGCNFNXSA-N 2 2 326.444 2.402 10 0 EEAELP COc1ccccc1-c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)on1 ZINC000665300030 471994689 /nfs/dbraw/zinc/99/46/89/471994689.db2.gz WXIQHZOTTRBOCB-RTBURBONSA-N 2 2 343.427 2.207 10 0 EEAELP Cc1cn2ccc(NC(=O)N3CCO[C@H](CCC[NH+](C)C)C3)cc2[nH+]1 ZINC000668168819 472036089 /nfs/dbraw/zinc/03/60/89/472036089.db2.gz BMVQFPSNDKGTCG-MRXNPFEDSA-N 2 2 345.447 2.217 10 0 EEAELP CC(C)N(C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662315265 472066730 /nfs/dbraw/zinc/06/67/30/472066730.db2.gz DEYAPYSZFFASPQ-LJQANCHMSA-N 2 2 347.503 2.471 10 0 EEAELP CC(C)N(C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662315265 472066736 /nfs/dbraw/zinc/06/67/36/472066736.db2.gz DEYAPYSZFFASPQ-LJQANCHMSA-N 2 2 347.503 2.471 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000668299051 472075008 /nfs/dbraw/zinc/07/50/08/472075008.db2.gz SBCUQGZUUKFCKU-QGZVFWFLSA-N 2 2 332.492 2.374 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000668299051 472075011 /nfs/dbraw/zinc/07/50/11/472075011.db2.gz SBCUQGZUUKFCKU-QGZVFWFLSA-N 2 2 332.492 2.374 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662537265 472143975 /nfs/dbraw/zinc/14/39/75/472143975.db2.gz ZEQCZFGYJLNQAM-OFQRWUPVSA-N 2 2 343.393 2.353 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662537265 472143980 /nfs/dbraw/zinc/14/39/80/472143980.db2.gz ZEQCZFGYJLNQAM-OFQRWUPVSA-N 2 2 343.393 2.353 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662711742 472218617 /nfs/dbraw/zinc/21/86/17/472218617.db2.gz NWDZYDADLRMBSE-OZVIIMIRSA-N 2 2 325.403 2.344 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662711742 472218623 /nfs/dbraw/zinc/21/86/23/472218623.db2.gz NWDZYDADLRMBSE-OZVIIMIRSA-N 2 2 325.403 2.344 10 0 EEAELP C[C@H]1CC2(CCC2)CN1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683355408 485493295 /nfs/dbraw/zinc/49/32/95/485493295.db2.gz WKKFQKCXSSNYLQ-JKSUJKDBSA-N 2 2 334.508 2.129 10 0 EEAELP C[C@H]1CC2(CCC2)CN1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683355408 485493301 /nfs/dbraw/zinc/49/33/01/485493301.db2.gz WKKFQKCXSSNYLQ-JKSUJKDBSA-N 2 2 334.508 2.129 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532482322 485544516 /nfs/dbraw/zinc/54/45/16/485544516.db2.gz GKKNPDCDVABOLS-RHSMWYFYSA-N 2 2 331.460 2.333 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532482322 485544519 /nfs/dbraw/zinc/54/45/19/485544519.db2.gz GKKNPDCDVABOLS-RHSMWYFYSA-N 2 2 331.460 2.333 10 0 EEAELP Cc1ccc([C@@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000664183004 485599876 /nfs/dbraw/zinc/59/98/76/485599876.db2.gz LEKOEOYTYATZHC-KRWDZBQOSA-N 2 2 334.508 2.281 10 0 EEAELP Cc1ccc([C@@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000664183004 485599883 /nfs/dbraw/zinc/59/98/83/485599883.db2.gz LEKOEOYTYATZHC-KRWDZBQOSA-N 2 2 334.508 2.281 10 0 EEAELP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629545746 485731218 /nfs/dbraw/zinc/73/12/18/485731218.db2.gz PJDQGMHZRGUIHH-GRDNDAEWSA-N 2 2 339.505 2.118 10 0 EEAELP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cccc21 ZINC000684089791 485758200 /nfs/dbraw/zinc/75/82/00/485758200.db2.gz RWUPRVXVIRFLIA-CJNGLKHVSA-N 2 2 340.427 2.469 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000679897573 485837877 /nfs/dbraw/zinc/83/78/77/485837877.db2.gz OHUGXCPRBJIUMU-SJLPKXTDSA-N 2 2 339.443 2.162 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000679897573 485837884 /nfs/dbraw/zinc/83/78/84/485837884.db2.gz OHUGXCPRBJIUMU-SJLPKXTDSA-N 2 2 339.443 2.162 10 0 EEAELP Cc1ccc(C[NH+](CCO)C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000679952031 485853874 /nfs/dbraw/zinc/85/38/74/485853874.db2.gz FEFPULUUZGSQJG-NRFANRHFSA-N 2 2 342.483 2.282 10 0 EEAELP Cc1ccc(C[NH+](CCO)C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000679952031 485853883 /nfs/dbraw/zinc/85/38/83/485853883.db2.gz FEFPULUUZGSQJG-NRFANRHFSA-N 2 2 342.483 2.282 10 0 EEAELP Cc1ccc(C[N@@H+](CCO)C[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000679952031 485853891 /nfs/dbraw/zinc/85/38/91/485853891.db2.gz FEFPULUUZGSQJG-NRFANRHFSA-N 2 2 342.483 2.282 10 0 EEAELP Cc1ccc(C[N@H+](CCO)C[C@@H](O)C[NH+](C)Cc2ccccc2)cc1 ZINC000679952031 485853895 /nfs/dbraw/zinc/85/38/95/485853895.db2.gz FEFPULUUZGSQJG-NRFANRHFSA-N 2 2 342.483 2.282 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000671624638 485954614 /nfs/dbraw/zinc/95/46/14/485954614.db2.gz DVCRYXKPPRZBAT-CABCVRRESA-N 2 2 342.443 2.498 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H](CCO)C1 ZINC000671624638 485954619 /nfs/dbraw/zinc/95/46/19/485954619.db2.gz DVCRYXKPPRZBAT-CABCVRRESA-N 2 2 342.443 2.498 10 0 EEAELP c1ccc(N2CCC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)[nH+]c1 ZINC000675882653 486089274 /nfs/dbraw/zinc/08/92/74/486089274.db2.gz UASKGQAYYZDBRJ-LJQANCHMSA-N 3 2 344.503 2.283 10 0 EEAELP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682609772 486517236 /nfs/dbraw/zinc/51/72/36/486517236.db2.gz UGSJSVWRHLJHGP-KRWDZBQOSA-N 2 2 331.464 2.022 10 0 EEAELP Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000682609772 486517240 /nfs/dbraw/zinc/51/72/40/486517240.db2.gz UGSJSVWRHLJHGP-KRWDZBQOSA-N 2 2 331.464 2.022 10 0 EEAELP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000732456243 577181229 /nfs/dbraw/zinc/18/12/29/577181229.db2.gz UGGOZFYIJPULTG-SFHVURJKSA-N 2 2 339.443 2.250 10 0 EEAELP CN(C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732456243 577181230 /nfs/dbraw/zinc/18/12/30/577181230.db2.gz UGGOZFYIJPULTG-SFHVURJKSA-N 2 2 339.443 2.250 10 0 EEAELP c1cn(-c2cc(C[NH2+]Cc3ccc(-n4cncn4)cc3)ccn2)c[nH+]1 ZINC000742696642 577875489 /nfs/dbraw/zinc/87/54/89/577875489.db2.gz HFRRGWYKPWUUDP-UHFFFAOYSA-N 2 2 331.383 2.138 10 0 EEAELP O=C(NCc1cccnc1-n1cc[nH+]c1)Nc1ccc2[nH+]ccn2c1 ZINC000743170859 577881275 /nfs/dbraw/zinc/88/12/75/577881275.db2.gz NTRROCAZGHUYGQ-UHFFFAOYSA-N 2 2 333.355 2.237 10 0 EEAELP CC[NH+](CC)C[C@@H]1CC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743388616 577884522 /nfs/dbraw/zinc/88/45/22/577884522.db2.gz UOTWTGISWTURMV-HNNXBMFYSA-N 2 2 344.459 2.444 10 0 EEAELP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743388616 577884523 /nfs/dbraw/zinc/88/45/23/577884523.db2.gz UOTWTGISWTURMV-HNNXBMFYSA-N 2 2 344.459 2.444 10 0 EEAELP Cc1cccc(C2(O)CC[NH+](C[C@@H](O)C[NH+]3CCCC3)CC2)c1C ZINC000741811885 578124843 /nfs/dbraw/zinc/12/48/43/578124843.db2.gz VAIYMFZJXQRTDN-SFHVURJKSA-N 2 2 332.488 2.044 10 0 EEAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000924900220 681338004 /nfs/dbraw/zinc/33/80/04/681338004.db2.gz BDEJDALGEQITOR-CXAGYDPISA-N 2 2 337.439 2.125 10 0 EEAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000924900220 681338007 /nfs/dbraw/zinc/33/80/07/681338007.db2.gz BDEJDALGEQITOR-CXAGYDPISA-N 2 2 337.439 2.125 10 0 EEAELP C/C(=C/C(=O)NCC1([NH+](C)C)CCCCCC1)C[NH+]1CCOCC1 ZINC000899976704 693951983 /nfs/dbraw/zinc/95/19/83/693951983.db2.gz BYNQEYIESNWDDE-VKAVYKQESA-N 2 2 337.508 2.036 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CC([C@H](C)NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001485518774 1191823535 /nfs/dbraw/zinc/82/35/35/1191823535.db2.gz QRPWRMYYAFAMTK-HNNXBMFYSA-N 2 2 344.434 2.357 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740591 1191917436 /nfs/dbraw/zinc/91/74/36/1191917436.db2.gz QMLUMCMQJFLILN-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001272733729 1192403951 /nfs/dbraw/zinc/40/39/51/1192403951.db2.gz FOEQLXNXPHQQBK-WKILWMFISA-N 2 2 332.492 2.437 10 0 EEAELP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001671337846 1176864285 /nfs/dbraw/zinc/86/42/85/1176864285.db2.gz UHBMTAHZJLFMNQ-ZWKOTPCHSA-N 2 2 337.508 2.011 10 0 EEAELP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001671337846 1176864291 /nfs/dbraw/zinc/86/42/91/1176864291.db2.gz UHBMTAHZJLFMNQ-ZWKOTPCHSA-N 2 2 337.508 2.011 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001266749783 1177346516 /nfs/dbraw/zinc/34/65/16/1177346516.db2.gz XJFLZJYXFPJLIW-KRWDZBQOSA-N 2 2 340.471 2.311 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1cccc(Cl)c1F ZINC001480890831 1177505421 /nfs/dbraw/zinc/50/54/21/1177505421.db2.gz DFCRJQRLTHCPNA-UHFFFAOYSA-N 2 2 338.814 2.232 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1cccc(Cl)c1F ZINC001480890831 1177505423 /nfs/dbraw/zinc/50/54/23/1177505423.db2.gz DFCRJQRLTHCPNA-UHFFFAOYSA-N 2 2 338.814 2.232 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266838864 1177515108 /nfs/dbraw/zinc/51/51/08/1177515108.db2.gz BVMBGKSVXGORGG-OKMWKSJFSA-N 2 2 338.455 2.285 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCCO1 ZINC001266886444 1177709195 /nfs/dbraw/zinc/70/91/95/1177709195.db2.gz NMDYBBQWVKVFJN-ROUUACIJSA-N 2 2 348.491 2.203 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001691234215 1177750843 /nfs/dbraw/zinc/75/08/43/1177750843.db2.gz URYRTFXIGJGTIW-GVDBMIGSSA-N 2 2 330.476 2.286 10 0 EEAELP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001691296983 1177847689 /nfs/dbraw/zinc/84/76/89/1177847689.db2.gz BIPRDYAXUQANKQ-NVXWUHKLSA-N 2 2 332.492 2.389 10 0 EEAELP Cc1cc(C)c(C[NH2+]CCN(C)C(=O)CCn2cc[nH+]c2)c(C)c1 ZINC001691417930 1178029667 /nfs/dbraw/zinc/02/96/67/1178029667.db2.gz AWHWWRNPHFPMAD-UHFFFAOYSA-N 2 2 328.460 2.447 10 0 EEAELP CC[C@H](C(=O)NC1C[NH+](CCCOc2c(C)cccc2C)C1)[NH+](C)C ZINC001267650001 1180097862 /nfs/dbraw/zinc/09/78/62/1180097862.db2.gz FVKWQNXXGKWXLO-GOSISDBHSA-N 2 2 347.503 2.213 10 0 EEAELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267821319 1180581951 /nfs/dbraw/zinc/58/19/51/1180581951.db2.gz BSIWIHHCGPCMIO-TZMCWYRMSA-N 2 2 349.866 2.321 10 0 EEAELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267821319 1180581955 /nfs/dbraw/zinc/58/19/55/1180581955.db2.gz BSIWIHHCGPCMIO-TZMCWYRMSA-N 2 2 349.866 2.321 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001267938119 1180791688 /nfs/dbraw/zinc/79/16/88/1180791688.db2.gz LLLFMAOKEBCTOY-KRWDZBQOSA-N 2 2 326.444 2.262 10 0 EEAELP Cc1cncc(C[NH2+]Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)c1 ZINC001267940249 1180793882 /nfs/dbraw/zinc/79/38/82/1180793882.db2.gz HJOUROSKTLTXJW-UHFFFAOYSA-N 2 2 349.438 2.193 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]CCC[C@@H](C)O)c(C)[nH+]1 ZINC001267961861 1180852170 /nfs/dbraw/zinc/85/21/70/1180852170.db2.gz SFHZQVSXAKMCRM-NVXWUHKLSA-N 2 2 333.476 2.362 10 0 EEAELP CN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001481304709 1180974868 /nfs/dbraw/zinc/97/48/68/1180974868.db2.gz ZPEGWYXTGNZLFW-UXBLZVDNSA-N 2 2 326.444 2.114 10 0 EEAELP C[C@H]([NH2+]CC[C@@H]1CCCCO1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001481345880 1181081093 /nfs/dbraw/zinc/08/10/93/1181081093.db2.gz IFVVSXVIMSGPDA-WMZOPIPTSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](CCNC(=O)C[C@H](C)n3cc[nH+]c3)C2)on1 ZINC001481451768 1181386466 /nfs/dbraw/zinc/38/64/66/1181386466.db2.gz SEKCJXQFGNIQOA-HOTGVXAUSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](CCNC(=O)C[C@H](C)n3cc[nH+]c3)C2)on1 ZINC001481451768 1181386472 /nfs/dbraw/zinc/38/64/72/1181386472.db2.gz SEKCJXQFGNIQOA-HOTGVXAUSA-N 2 2 345.447 2.159 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001481461578 1181452213 /nfs/dbraw/zinc/45/22/13/1181452213.db2.gz FCWQWYBGLKVGHL-CQSZACIVSA-N 2 2 348.397 2.190 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001481461578 1181452215 /nfs/dbraw/zinc/45/22/15/1181452215.db2.gz FCWQWYBGLKVGHL-CQSZACIVSA-N 2 2 348.397 2.190 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268070805 1181668673 /nfs/dbraw/zinc/66/86/73/1181668673.db2.gz JSGTZJNBZIXNJX-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)N(C)C(=O)CCc1c[nH+]cn1C ZINC001268096419 1181739264 /nfs/dbraw/zinc/73/92/64/1181739264.db2.gz OQLWFELJPXTNRN-OAHLLOKOSA-N 2 2 346.450 2.171 10 0 EEAELP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268239671 1182061574 /nfs/dbraw/zinc/06/15/74/1182061574.db2.gz DLKKVQZLQMIESF-KRWDZBQOSA-N 2 2 330.476 2.336 10 0 EEAELP CN(CC[N@@H+](C)CC1=CCCCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268239671 1182061579 /nfs/dbraw/zinc/06/15/79/1182061579.db2.gz DLKKVQZLQMIESF-KRWDZBQOSA-N 2 2 330.476 2.336 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001481690672 1182216098 /nfs/dbraw/zinc/21/60/98/1182216098.db2.gz TVFIEVDZTOSBLQ-XLYSIVADSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001481690672 1182216107 /nfs/dbraw/zinc/21/61/07/1182216107.db2.gz TVFIEVDZTOSBLQ-XLYSIVADSA-N 2 2 330.476 2.382 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ns1 ZINC001268376278 1182395262 /nfs/dbraw/zinc/39/52/62/1182395262.db2.gz WWHUHBKRYHPSDB-GFCCVEGCSA-N 2 2 348.472 2.082 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001268407375 1182523727 /nfs/dbraw/zinc/52/37/27/1182523727.db2.gz TUMAKHGRFJNJMD-CHWSQXEVSA-N 2 2 335.477 2.284 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@](C)(C[NH2+]CC1CCC1)C1CC1 ZINC001481932789 1182983753 /nfs/dbraw/zinc/98/37/53/1182983753.db2.gz CHLARVGRAIHBRB-IBGZPJMESA-N 2 2 331.460 2.307 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CC=C(Cl)Cl ZINC001482119109 1183355649 /nfs/dbraw/zinc/35/56/49/1183355649.db2.gz TWMKMRIKWDKLLT-VXGBXAGGSA-N 2 2 345.274 2.106 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CC1CC2(CCC2)C1 ZINC001482119713 1183356651 /nfs/dbraw/zinc/35/66/51/1183356651.db2.gz ZQEMXOYXJUOGSF-WBVHZDCISA-N 2 2 344.503 2.368 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CCc1ccccc1 ZINC001482144782 1183462206 /nfs/dbraw/zinc/46/22/06/1183462206.db2.gz XLVFKNQYVGQGPC-CGTJXYLNSA-N 2 2 340.471 2.108 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)c2cccc(C[NH+](C)C)c2)co1 ZINC001268629246 1183553411 /nfs/dbraw/zinc/55/34/11/1183553411.db2.gz UZTHGCJKAZAVLQ-SNAWJCMRSA-N 2 2 342.443 2.120 10 0 EEAELP CCCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001482190463 1183597639 /nfs/dbraw/zinc/59/76/39/1183597639.db2.gz MNHKJAZCIPVMJX-IRXDYDNUSA-N 2 2 336.480 2.087 10 0 EEAELP CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001482190463 1183597644 /nfs/dbraw/zinc/59/76/44/1183597644.db2.gz MNHKJAZCIPVMJX-IRXDYDNUSA-N 2 2 336.480 2.087 10 0 EEAELP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268803550 1183721004 /nfs/dbraw/zinc/72/10/04/1183721004.db2.gz LPYFTXPCQVBLIF-GFCCVEGCSA-N 2 2 345.274 2.203 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C\Cl)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268803612 1183722004 /nfs/dbraw/zinc/72/20/04/1183722004.db2.gz NAVYOIFZLSBMMC-GMCKNXKJSA-N 2 2 345.274 2.203 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269252298 1184103692 /nfs/dbraw/zinc/10/36/92/1184103692.db2.gz XIZJTUHKLGNUGP-DLBZAZTESA-N 2 2 336.480 2.040 10 0 EEAELP CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269252298 1184103695 /nfs/dbraw/zinc/10/36/95/1184103695.db2.gz XIZJTUHKLGNUGP-DLBZAZTESA-N 2 2 336.480 2.040 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)oc1C ZINC001269290857 1184143641 /nfs/dbraw/zinc/14/36/41/1184143641.db2.gz BWEQHIAEASRSLO-MRXNPFEDSA-N 2 2 336.480 2.056 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)oc1C ZINC001269290857 1184143644 /nfs/dbraw/zinc/14/36/44/1184143644.db2.gz BWEQHIAEASRSLO-MRXNPFEDSA-N 2 2 336.480 2.056 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001269770423 1184609120 /nfs/dbraw/zinc/60/91/20/1184609120.db2.gz LMWTYYLZXRBSGX-BRWVUGGUSA-N 2 2 330.476 2.152 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001270215661 1184930169 /nfs/dbraw/zinc/93/01/69/1184930169.db2.gz QNPHNFDEJOYDPC-GOSISDBHSA-N 2 2 326.444 2.166 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001270215661 1184930172 /nfs/dbraw/zinc/93/01/72/1184930172.db2.gz QNPHNFDEJOYDPC-GOSISDBHSA-N 2 2 326.444 2.166 10 0 EEAELP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001270700317 1185324655 /nfs/dbraw/zinc/32/46/55/1185324655.db2.gz FPFSUHIJQSCATR-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001270700317 1185324658 /nfs/dbraw/zinc/32/46/58/1185324658.db2.gz FPFSUHIJQSCATR-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP C[C@]1(C[NH2+]Cc2ccnc(Cl)c2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001270814506 1185416314 /nfs/dbraw/zinc/41/63/14/1185416314.db2.gz OXIFGKMXHGHLFN-QGZVFWFLSA-N 2 2 347.850 2.029 10 0 EEAELP C[C@@H](C[NH2+][C@@H](C)c1nc2ccccc2o1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482376481 1185551884 /nfs/dbraw/zinc/55/18/84/1185551884.db2.gz ZOQRHAONTTWDLF-KBPBESRZSA-N 2 2 341.415 2.222 10 0 EEAELP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001482446162 1185764650 /nfs/dbraw/zinc/76/46/50/1185764650.db2.gz PYBDFXYKYFLUGK-ZWKOTPCHSA-N 2 2 339.524 2.258 10 0 EEAELP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001482446162 1185764653 /nfs/dbraw/zinc/76/46/53/1185764653.db2.gz PYBDFXYKYFLUGK-ZWKOTPCHSA-N 2 2 339.524 2.258 10 0 EEAELP C[C@H](C[NH2+]CCC[C@H]1CCOC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271037095 1185832222 /nfs/dbraw/zinc/83/22/22/1185832222.db2.gz ZITZQACYCIKUOO-CVEARBPZSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482886860 1187803425 /nfs/dbraw/zinc/80/34/25/1187803425.db2.gz VLBXWZAAABBMPZ-CYBMUJFWSA-N 2 2 334.851 2.333 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001482959644 1187897563 /nfs/dbraw/zinc/89/75/63/1187897563.db2.gz FSVCOYJSBLMUBI-UHFFFAOYSA-N 2 2 334.851 2.286 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cs1 ZINC001483020371 1188007386 /nfs/dbraw/zinc/00/73/86/1188007386.db2.gz AXDANTYBWLCMTA-OKYAQOQYSA-N 2 2 330.457 2.345 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483129652 1188614715 /nfs/dbraw/zinc/61/47/15/1188614715.db2.gz IDRZTFLYWFHXRS-MRXNPFEDSA-N 2 2 340.471 2.365 10 0 EEAELP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC001409632865 1190133361 /nfs/dbraw/zinc/13/33/61/1190133361.db2.gz RPFZBLGXSQEGQG-STQMWFEESA-N 2 2 327.419 2.414 10 0 EEAELP C[C@@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC001409632865 1190133366 /nfs/dbraw/zinc/13/33/66/1190133366.db2.gz RPFZBLGXSQEGQG-STQMWFEESA-N 2 2 327.419 2.414 10 0 EEAELP CC(C)Oc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001409694748 1190203918 /nfs/dbraw/zinc/20/39/18/1190203918.db2.gz PTTLNWNRYDYYHB-INIZCTEOSA-N 2 2 344.459 2.307 10 0 EEAELP CC(C)Oc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001409694748 1190203922 /nfs/dbraw/zinc/20/39/22/1190203922.db2.gz PTTLNWNRYDYYHB-INIZCTEOSA-N 2 2 344.459 2.307 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483242270 1190270593 /nfs/dbraw/zinc/27/05/93/1190270593.db2.gz CSOQWWMSYUXKAJ-GXTWGEPZSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483353680 1190390195 /nfs/dbraw/zinc/39/01/95/1190390195.db2.gz UGOMSGOPOVMTQP-HOCLYGCPSA-N 2 2 348.491 2.357 10 0 EEAELP Cc1cnc([C@H](C)[N@H+](C)C[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483353680 1190390199 /nfs/dbraw/zinc/39/01/99/1190390199.db2.gz UGOMSGOPOVMTQP-HOCLYGCPSA-N 2 2 348.491 2.357 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccns1 ZINC001483393807 1190438842 /nfs/dbraw/zinc/43/88/42/1190438842.db2.gz VAXXGABXICDEHM-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccns1 ZINC001483393807 1190438844 /nfs/dbraw/zinc/43/88/44/1190438844.db2.gz VAXXGABXICDEHM-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccns1 ZINC001483393807 1190438849 /nfs/dbraw/zinc/43/88/49/1190438849.db2.gz VAXXGABXICDEHM-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccns1 ZINC001483393807 1190438851 /nfs/dbraw/zinc/43/88/51/1190438851.db2.gz VAXXGABXICDEHM-GOEBONIOSA-N 2 2 338.521 2.343 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001272598718 1190913182 /nfs/dbraw/zinc/91/31/82/1190913182.db2.gz JKRZFPXPEAUINH-CQSZACIVSA-N 2 2 332.473 2.085 10 0 EEAELP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001484068736 1191195721 /nfs/dbraw/zinc/19/57/21/1191195721.db2.gz UXFDHYCMQNIDFL-RHSMWYFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001484068736 1191195722 /nfs/dbraw/zinc/19/57/22/1191195722.db2.gz UXFDHYCMQNIDFL-RHSMWYFYSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1C[N@H+](CC2CC2)CCC1(F)F)n1cc[nH+]c1 ZINC001484195192 1191267590 /nfs/dbraw/zinc/26/75/90/1191267590.db2.gz FCKNPLMSTUZVQF-HIFRSBDPSA-N 2 2 340.418 2.318 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1C[N@@H+](CC2CC2)CCC1(F)F)n1cc[nH+]c1 ZINC001484195192 1191267591 /nfs/dbraw/zinc/26/75/91/1191267591.db2.gz 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RPOUIXQMKXNRGT-ARJAWSKDSA-N 2 2 332.473 2.483 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]c[nH]2)c(C)s1 ZINC001321085160 1333015588 /nfs/dbraw/zinc/01/55/88/1333015588.db2.gz RPOUIXQMKXNRGT-ARJAWSKDSA-N 2 2 332.473 2.483 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001321126972 1333026068 /nfs/dbraw/zinc/02/60/68/1333026068.db2.gz OZSYQYYUBMXSCZ-WOMSROEHSA-N 2 2 344.484 2.278 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001321253386 1333056614 /nfs/dbraw/zinc/05/66/14/1333056614.db2.gz URZKMAQPHHURFD-MBZYTVFJSA-N 2 2 330.476 2.366 10 0 EEAELP CN(CCC[NH2+]CCC(F)(F)F)C(=O)c1cccc2[nH+]ccn21 ZINC001322613346 1333294058 /nfs/dbraw/zinc/29/40/58/1333294058.db2.gz LGDGPEJLBUGDFL-UHFFFAOYSA-N 2 2 328.338 2.338 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001323695367 1333518495 /nfs/dbraw/zinc/51/84/95/1333518495.db2.gz DEQDVFUXRDHVFK-KSZLIROESA-N 2 2 348.491 2.326 10 0 EEAELP 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/nfs/dbraw/zinc/39/10/43/1334391043.db2.gz IIODTRCXWOZGPA-BFYDXBDKSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328080769 1334391048 /nfs/dbraw/zinc/39/10/48/1334391048.db2.gz IIODTRCXWOZGPA-BFYDXBDKSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001328080769 1334391055 /nfs/dbraw/zinc/39/10/55/1334391055.db2.gz IIODTRCXWOZGPA-BFYDXBDKSA-N 2 2 348.491 2.157 10 0 EEAELP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CCCOc2ccccc2)C1 ZINC001333131312 1335968209 /nfs/dbraw/zinc/96/82/09/1335968209.db2.gz UVBRXENDAKDLNX-UHFFFAOYSA-N 2 2 342.443 2.000 10 0 EEAELP Cn1c(Cl)ncc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000848530620 1338715267 /nfs/dbraw/zinc/71/52/67/1338715267.db2.gz ILLOWSTXELGAFW-UHFFFAOYSA-N 2 2 347.894 2.111 10 0 EEAELP Cc1ncoc1C[N@@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001667592995 1355766264 /nfs/dbraw/zinc/76/62/64/1355766264.db2.gz YLCKBAJNYBEZOO-UHFFFAOYSA-N 2 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ZINC001675998711 1357085067 /nfs/dbraw/zinc/08/50/67/1357085067.db2.gz WSNRBBDEZYAISM-SNVBAGLBSA-N 2 2 341.868 2.137 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001567131220 1342698100 /nfs/dbraw/zinc/69/81/00/1342698100.db2.gz NYXHVHQNJSNALL-OAZXXZECSA-N 2 2 330.476 2.240 10 0 EEAELP CCc1nc(C)c(C[NH2+]CCN(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)o1 ZINC001567514909 1342775639 /nfs/dbraw/zinc/77/56/39/1342775639.db2.gz IUMZFXRYINZIES-UHFFFAOYSA-N 2 2 347.463 2.034 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCCC1CCC1 ZINC001676377453 1357142922 /nfs/dbraw/zinc/14/29/22/1357142922.db2.gz ZDEDCYSJSCMOPS-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCc1ccc(C[NH2+]C/C=C\Cl)cc1F ZINC001677648463 1357383182 /nfs/dbraw/zinc/38/31/82/1357383182.db2.gz QSJXQYLZTMDTGN-RJRFIUFISA-N 2 2 336.798 2.250 10 0 EEAELP CC[NH+]1CCC(C(=O)NCCCn2cc[nH+]c2)(c2ccccc2)CC1 ZINC001624103706 1352413791 /nfs/dbraw/zinc/41/37/91/1352413791.db2.gz XPQAGOQEIPDSPW-UHFFFAOYSA-N 2 2 340.471 2.443 10 0 EEAELP CCNc1cc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)cc[nH+]1 ZINC001646949535 1353066949 /nfs/dbraw/zinc/06/69/49/1353066949.db2.gz KZSKUXRXEHJDOD-YESZJQIVSA-N 2 2 345.491 2.385 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ncc(C(C)(C)C)o1)NC(=O)Cn1cc[nH+]c1 ZINC001649474032 1353525398 /nfs/dbraw/zinc/52/53/98/1353525398.db2.gz QCNQAEZEGMSJMP-AWEZNQCLSA-N 2 2 347.463 2.243 10 0 EEAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CC(C)(C)CO1 ZINC001660194649 1354413627 /nfs/dbraw/zinc/41/36/27/1354413627.db2.gz HQZYBOHCLIHJQA-HNNXBMFYSA-N 2 2 344.459 2.430 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CC(C)(C)CO1 ZINC001660194649 1354413628 /nfs/dbraw/zinc/41/36/28/1354413628.db2.gz HQZYBOHCLIHJQA-HNNXBMFYSA-N 2 2 344.459 2.430 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](C[N@H+](C)CCCCCF)C1 ZINC001661231101 1354613110 /nfs/dbraw/zinc/61/31/10/1354613110.db2.gz DLRPAMBDZZLOJS-INIZCTEOSA-N 2 2 338.471 2.273 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H](C[N@@H+](C)CCCCCF)C1 ZINC001661231101 1354613112 /nfs/dbraw/zinc/61/31/12/1354613112.db2.gz DLRPAMBDZZLOJS-INIZCTEOSA-N 2 2 338.471 2.273 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CCC(F)(F)F ZINC001663119528 1354921151 /nfs/dbraw/zinc/92/11/51/1354921151.db2.gz KDODNCBNELUXQF-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[C@H]1CCC[N@H+]1CCC(F)(F)F ZINC001663119528 1354921153 /nfs/dbraw/zinc/92/11/53/1354921153.db2.gz KDODNCBNELUXQF-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)CCc1c[nH]c[nH+]1 ZINC001663971911 1355065527 /nfs/dbraw/zinc/06/55/27/1355065527.db2.gz JACPFTDBSKYCMU-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)CCc1c[nH+]c[nH]1 ZINC001663971911 1355065534 /nfs/dbraw/zinc/06/55/34/1355065534.db2.gz JACPFTDBSKYCMU-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001664036781 1355078875 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EEAELP C[C@@H]([NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1)c1nc2ccccc2o1 ZINC001668333342 1355925401 /nfs/dbraw/zinc/92/54/01/1355925401.db2.gz YUSFIMADLXNUGN-UONOGXRCSA-N 2 2 341.415 2.270 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001668865179 1356027618 /nfs/dbraw/zinc/02/76/18/1356027618.db2.gz RNJIAVSYXGOXIM-VGOKWCNXSA-N 2 2 346.475 2.152 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001668865179 1356027623 /nfs/dbraw/zinc/02/76/23/1356027623.db2.gz RNJIAVSYXGOXIM-VGOKWCNXSA-N 2 2 346.475 2.152 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001672287495 1356494496 /nfs/dbraw/zinc/49/44/96/1356494496.db2.gz PLBHFNVRYHCCLV-NWDGAFQWSA-N 2 2 345.274 2.345 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001672287495 1356494499 /nfs/dbraw/zinc/49/44/99/1356494499.db2.gz PLBHFNVRYHCCLV-NWDGAFQWSA-N 2 2 345.274 2.345 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001672796015 1356585634 /nfs/dbraw/zinc/58/56/34/1356585634.db2.gz IDDSDNZLMLHMFL-QGZVFWFLSA-N 2 2 344.503 2.390 10 0 EEAELP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001672816826 1356591543 /nfs/dbraw/zinc/59/15/43/1356591543.db2.gz XNPUUCAHKSMOMY-IAGOWNOFSA-N 2 2 332.492 2.320 10 0 EEAELP C[C@@H]([NH2+]Cc1cccc(Cl)n1)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001674711251 1356882015 /nfs/dbraw/zinc/88/20/15/1356882015.db2.gz XQCWVRBCJOWGMN-OLZOCXBDSA-N 2 2 335.839 2.005 10 0 EEAELP CC(C)C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001698869551 1405123140 /nfs/dbraw/zinc/12/31/40/1405123140.db2.gz CPYXTOAKFNMSIW-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001699409727 1405349704 /nfs/dbraw/zinc/34/97/04/1405349704.db2.gz WUTNSSOTJBLOGP-USXIJHARSA-N 2 2 326.444 2.240 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001699409727 1405349714 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CC1CC[NH+](CC(=O)NCCn2c[nH+]cc2-c2ccccc2)CC1 ZINC000913711045 794164038 /nfs/dbraw/zinc/16/40/38/794164038.db2.gz IXYQFDNOTZKEIK-UHFFFAOYSA-N 2 2 326.444 2.398 10 0 EEAELP C[C@@H]1[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCN1C ZINC000922558805 801293298 /nfs/dbraw/zinc/29/32/98/801293298.db2.gz WYFXLOJAHKTKDZ-RHSMWYFYSA-N 2 2 336.911 2.274 10 0 EEAELP CC(C)CC[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001566589679 1125778208 /nfs/dbraw/zinc/77/82/08/1125778208.db2.gz CTVQTRCUUIMNEM-INIZCTEOSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CC[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001566589679 1125778213 /nfs/dbraw/zinc/77/82/13/1125778213.db2.gz CTVQTRCUUIMNEM-INIZCTEOSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001436419961 1087779259 /nfs/dbraw/zinc/77/92/59/1087779259.db2.gz WJKPRQCZAUFNAG-GOEBONIOSA-N 2 2 330.407 2.166 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001437062102 1088973414 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RMVXWQUULSPQIT-GASCZTMLSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+](C)Cc1nc2ccccc2o1 ZINC001437566129 1090043039 /nfs/dbraw/zinc/04/30/39/1090043039.db2.gz RMVXWQUULSPQIT-GASCZTMLSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC001437566129 1090043053 /nfs/dbraw/zinc/04/30/53/1090043053.db2.gz RMVXWQUULSPQIT-GASCZTMLSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001437566129 1090043064 /nfs/dbraw/zinc/04/30/64/1090043064.db2.gz RMVXWQUULSPQIT-GASCZTMLSA-N 2 2 344.459 2.249 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001437913015 1090494442 /nfs/dbraw/zinc/49/44/42/1090494442.db2.gz RHMJGDRYCMXARS-ROUUACIJSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001437913015 1090494444 /nfs/dbraw/zinc/49/44/44/1090494444.db2.gz RHMJGDRYCMXARS-ROUUACIJSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H]1CC[NH+](Cc2cnoc2C)C1 ZINC001437913015 1090494446 /nfs/dbraw/zinc/49/44/46/1090494446.db2.gz RHMJGDRYCMXARS-ROUUACIJSA-N 2 2 348.491 2.280 10 0 EEAELP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001438269578 1090753083 /nfs/dbraw/zinc/75/30/83/1090753083.db2.gz VPDJQGVDEXGVRM-QGZVFWFLSA-N 2 2 348.491 2.317 10 0 EEAELP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2coc(C3CC3)n2)C1 ZINC001438269578 1090753086 /nfs/dbraw/zinc/75/30/86/1090753086.db2.gz VPDJQGVDEXGVRM-QGZVFWFLSA-N 2 2 348.491 2.317 10 0 EEAELP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1cc(C)ns1 ZINC001438317327 1090794329 /nfs/dbraw/zinc/79/43/29/1090794329.db2.gz JZCGHHHEFAJAAC-CQSZACIVSA-N 2 2 349.504 2.376 10 0 EEAELP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445476615 1091253851 /nfs/dbraw/zinc/25/38/51/1091253851.db2.gz SPQMMVPOWFLFLS-HZPDHXFCSA-N 2 2 328.460 2.435 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)CCC(F)(F)F)c[nH+]1 ZINC001438887856 1091531942 /nfs/dbraw/zinc/53/19/42/1091531942.db2.gz CNJIMUXAUITPOV-UHFFFAOYSA-N 2 2 334.386 2.269 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)CCC(F)(F)F)c[nH+]1 ZINC001438887856 1091531951 /nfs/dbraw/zinc/53/19/51/1091531951.db2.gz CNJIMUXAUITPOV-UHFFFAOYSA-N 2 2 334.386 2.269 10 0 EEAELP CC(C)C[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1cncc(F)c1)n1cc[nH+]c1 ZINC001439118609 1091762434 /nfs/dbraw/zinc/76/24/34/1091762434.db2.gz HRYHBVZJAAYFNJ-PBHICJAKSA-N 2 2 347.438 2.299 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001439262791 1091916430 /nfs/dbraw/zinc/91/64/30/1091916430.db2.gz ICXPPOKUJBUSII-KGLIPLIRSA-N 2 2 332.423 2.330 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001439262791 1091916434 /nfs/dbraw/zinc/91/64/34/1091916434.db2.gz ICXPPOKUJBUSII-KGLIPLIRSA-N 2 2 332.423 2.330 10 0 EEAELP Cc1nocc1C[NH2+]C1(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001446197704 1092273819 /nfs/dbraw/zinc/27/38/19/1092273819.db2.gz QTHPJVDZQKROGY-MRXNPFEDSA-N 2 2 345.447 2.205 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccsc2)C1 ZINC001439856146 1092880749 /nfs/dbraw/zinc/88/07/49/1092880749.db2.gz PKKIOTIRFHDGAE-QGZVFWFLSA-N 2 2 332.473 2.195 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccsc2)C1 ZINC001439856146 1092880756 /nfs/dbraw/zinc/88/07/56/1092880756.db2.gz PKKIOTIRFHDGAE-QGZVFWFLSA-N 2 2 332.473 2.195 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001448440560 1093451993 /nfs/dbraw/zinc/45/19/93/1093451993.db2.gz SIPMQQKLXPAISD-OSYLJGHBSA-N 2 2 344.503 2.083 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001448440560 1093451999 /nfs/dbraw/zinc/45/19/99/1093451999.db2.gz SIPMQQKLXPAISD-OSYLJGHBSA-N 2 2 344.503 2.083 10 0 EEAELP Cc1cccc(C)c1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001448440458 1093452079 /nfs/dbraw/zinc/45/20/79/1093452079.db2.gz OQTZIHUNWWCKSE-XGWQRUHWSA-N 2 2 338.455 2.063 10 0 EEAELP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001448440458 1093452084 /nfs/dbraw/zinc/45/20/84/1093452084.db2.gz OQTZIHUNWWCKSE-XGWQRUHWSA-N 2 2 338.455 2.063 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2nccn2C)[C@@H]1CC)[NH+](CC)CC ZINC001440449378 1093662372 /nfs/dbraw/zinc/66/23/72/1093662372.db2.gz JNDKPBSDVDTQTO-GVDBMIGSSA-N 2 2 349.523 2.010 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2nccn2C)[C@@H]1CC)[NH+](CC)CC ZINC001440449378 1093662374 /nfs/dbraw/zinc/66/23/74/1093662374.db2.gz JNDKPBSDVDTQTO-GVDBMIGSSA-N 2 2 349.523 2.010 10 0 EEAELP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001448687393 1093751329 /nfs/dbraw/zinc/75/13/29/1093751329.db2.gz VVMIELIOJUFRGQ-UKRRQHHQSA-N 2 2 344.459 2.428 10 0 EEAELP CC1([NH2+]CCF)CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001440602271 1093867560 /nfs/dbraw/zinc/86/75/60/1093867560.db2.gz MOCFBWPZOVTATR-UHFFFAOYSA-N 2 2 330.407 2.426 10 0 EEAELP Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001440857241 1094117910 /nfs/dbraw/zinc/11/79/10/1094117910.db2.gz XKIFVZWIKCOGMG-DLBZAZTESA-N 2 2 328.460 2.491 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC001440857726 1094118692 /nfs/dbraw/zinc/11/86/92/1094118692.db2.gz WKPDAUMZOSLNJR-WDEREUQCSA-N 2 2 338.814 2.428 10 0 EEAELP CC(C)N(CC[N@@H+](C)C[C@H](C)O)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001449257554 1094205981 /nfs/dbraw/zinc/20/59/81/1094205981.db2.gz XOVZUUYMUMWWLM-INIZCTEOSA-N 2 2 344.459 2.036 10 0 EEAELP CC(C)N(CC[N@H+](C)C[C@H](C)O)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001449257554 1094205985 /nfs/dbraw/zinc/20/59/85/1094205985.db2.gz XOVZUUYMUMWWLM-INIZCTEOSA-N 2 2 344.459 2.036 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001440981099 1094243154 /nfs/dbraw/zinc/24/31/54/1094243154.db2.gz RVQQWNOYOIMYPQ-RYUDHWBXSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001440981099 1094243159 /nfs/dbraw/zinc/24/31/59/1094243159.db2.gz RVQQWNOYOIMYPQ-RYUDHWBXSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001440981099 1094243164 /nfs/dbraw/zinc/24/31/64/1094243164.db2.gz RVQQWNOYOIMYPQ-RYUDHWBXSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001440981099 1094243168 /nfs/dbraw/zinc/24/31/68/1094243168.db2.gz RVQQWNOYOIMYPQ-RYUDHWBXSA-N 2 2 328.407 2.070 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001441321334 1094777132 /nfs/dbraw/zinc/77/71/32/1094777132.db2.gz SHFRPQSPOPXCGT-NNZMDNLPSA-N 2 2 346.519 2.473 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001441321334 1094777143 /nfs/dbraw/zinc/77/71/43/1094777143.db2.gz SHFRPQSPOPXCGT-NNZMDNLPSA-N 2 2 346.519 2.473 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1cncs1)C(=O)C[NH+](C)C(C)C ZINC001442127360 1096367140 /nfs/dbraw/zinc/36/71/40/1096367140.db2.gz IJPAAXMXYOZVKE-UHFFFAOYSA-N 2 2 326.510 2.152 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1cncs1)C(=O)C[NH+](C)C(C)C ZINC001442127360 1096367145 /nfs/dbraw/zinc/36/71/45/1096367145.db2.gz IJPAAXMXYOZVKE-UHFFFAOYSA-N 2 2 326.510 2.152 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1cncs1)C(=O)C[N@H+](C)C(C)C ZINC001442127360 1096367152 /nfs/dbraw/zinc/36/71/52/1096367152.db2.gz IJPAAXMXYOZVKE-UHFFFAOYSA-N 2 2 326.510 2.152 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1cncs1)C(=O)C[N@@H+](C)C(C)C ZINC001442127360 1096367160 /nfs/dbraw/zinc/36/71/60/1096367160.db2.gz IJPAAXMXYOZVKE-UHFFFAOYSA-N 2 2 326.510 2.152 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccon1 ZINC001442954548 1097372522 /nfs/dbraw/zinc/37/25/22/1097372522.db2.gz WYZMRMMKMWJSRZ-WBVHZDCISA-N 2 2 336.480 2.123 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccon1 ZINC001442954548 1097372526 /nfs/dbraw/zinc/37/25/26/1097372526.db2.gz WYZMRMMKMWJSRZ-WBVHZDCISA-N 2 2 336.480 2.123 10 0 EEAELP CC[C@@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001443136454 1097563106 /nfs/dbraw/zinc/56/31/06/1097563106.db2.gz FZCJNQBRKWTGDL-GOEBONIOSA-N 2 2 338.471 2.318 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC1C[NH+](CCC2CCCCC2)C1 ZINC001443596448 1098088709 /nfs/dbraw/zinc/08/87/09/1098088709.db2.gz JZFHNHAZJQBUBS-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC001479482470 1098559836 /nfs/dbraw/zinc/55/98/36/1098559836.db2.gz PVTUYDQNBCMDPL-DLBZAZTESA-N 2 2 348.491 2.034 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001444423649 1099046334 /nfs/dbraw/zinc/04/63/34/1099046334.db2.gz TZFIGRWHELUPRT-UONOGXRCSA-N 2 2 328.407 2.051 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccncc2Cl)CCCC1 ZINC001444537336 1099312650 /nfs/dbraw/zinc/31/26/50/1099312650.db2.gz PEFYHDURTAAXAW-UHFFFAOYSA-N 2 2 347.850 2.150 10 0 EEAELP Cc1csc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001444674566 1099516336 /nfs/dbraw/zinc/51/63/36/1099516336.db2.gz BHHROBNQPISXJF-KBPBESRZSA-N 2 2 335.477 2.236 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccccc1 ZINC001444902774 1099959479 /nfs/dbraw/zinc/95/94/79/1099959479.db2.gz YVCUDOZWYCZEFN-ZWKOTPCHSA-N 2 2 340.471 2.376 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccccc1 ZINC001444910990 1099984003 /nfs/dbraw/zinc/98/40/03/1099984003.db2.gz LSRQHILEKWIXMO-KZNAEPCWSA-N 2 2 340.471 2.454 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001480342592 1100108501 /nfs/dbraw/zinc/10/85/01/1100108501.db2.gz VMXQOHHBOOELKU-DLBZAZTESA-N 2 2 339.524 2.114 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001480342592 1100108506 /nfs/dbraw/zinc/10/85/06/1100108506.db2.gz VMXQOHHBOOELKU-DLBZAZTESA-N 2 2 339.524 2.114 10 0 EEAELP 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O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CCCC2CCOCC2)CCCC1 ZINC001495195544 1100875018 /nfs/dbraw/zinc/87/50/18/1100875018.db2.gz RSJCZFVKMWBJAK-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP Cc1ccc(C[NH+]2CCC(C)(NC(=O)Cc3[nH]cc[nH+]3)CC2)c(C)n1 ZINC001446482426 1100914323 /nfs/dbraw/zinc/91/43/23/1100914323.db2.gz YVUMPSJQMBJLHX-UHFFFAOYSA-N 2 2 341.459 2.135 10 0 EEAELP C[C@H](CC(=O)N[C@](C)(C[NH2+]CC1CCOCC1)C1CC1)n1cc[nH+]c1 ZINC001495279655 1100977293 /nfs/dbraw/zinc/97/72/93/1100977293.db2.gz CHVLPUMVJFJHGW-DNVCBOLYSA-N 2 2 348.491 2.135 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001495303564 1101005397 /nfs/dbraw/zinc/00/53/97/1101005397.db2.gz PWSSUXGSXLVPOJ-IBGZPJMESA-N 2 2 344.434 2.405 10 0 EEAELP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001446696688 1101260792 /nfs/dbraw/zinc/26/07/92/1101260792.db2.gz LRYMQUPUVDBUNC-QFBILLFUSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001446696688 1101260795 /nfs/dbraw/zinc/26/07/95/1101260795.db2.gz LRYMQUPUVDBUNC-QFBILLFUSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1cc(C)c(C(=O)NCC2([NH2+]CC3CC3)CCOCC2)c(C)[nH+]1 ZINC001446713249 1101279869 /nfs/dbraw/zinc/27/98/69/1101279869.db2.gz MDLFPSWENVHVOJ-UHFFFAOYSA-N 2 2 331.460 2.285 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)o1 ZINC001496796315 1101485978 /nfs/dbraw/zinc/48/59/78/1101485978.db2.gz DNKFQRFFXDKDCM-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)o1 ZINC001496796315 1101485983 /nfs/dbraw/zinc/48/59/83/1101485983.db2.gz DNKFQRFFXDKDCM-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001496796315 1101485987 /nfs/dbraw/zinc/48/59/87/1101485987.db2.gz DNKFQRFFXDKDCM-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)o1 ZINC001496796315 1101485992 /nfs/dbraw/zinc/48/59/92/1101485992.db2.gz 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ZRXPTWGBUWRYND-OLZOCXBDSA-N 2 2 339.361 2.479 10 0 EEAELP COc1ccc([C@@H]([NH2+]C2CCC(C(N)=O)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000573952411 319981893 /nfs/dbraw/zinc/98/18/93/319981893.db2.gz DDZOXCAKQJTNLW-NANBGGJNSA-N 2 2 331.460 2.122 10 0 EEAELP C[NH2+][C@H]1CCN(C(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1 ZINC000574668261 320046322 /nfs/dbraw/zinc/04/63/22/320046322.db2.gz LUZQHLVFXPAATI-WMZOPIPTSA-N 2 2 341.459 2.245 10 0 EEAELP c1ccc(C[NH+]2CC[C@@H](NCC[N@@H+]3CCCOCC3)CC23CC3)cc1 ZINC000577063198 320229014 /nfs/dbraw/zinc/22/90/14/320229014.db2.gz XTLJOZZOEIHALL-HXUWFJFHSA-N 2 2 343.515 2.496 10 0 EEAELP c1ccc(C[NH+]2CC[C@@H](NCC[N@H+]3CCCOCC3)CC23CC3)cc1 ZINC000577063198 320229016 /nfs/dbraw/zinc/22/90/16/320229016.db2.gz XTLJOZZOEIHALL-HXUWFJFHSA-N 2 2 343.515 2.496 10 0 EEAELP c1ccc(C[N@H+]2CC[C@@H](NCC[NH+]3CCCOCC3)CC23CC3)cc1 ZINC000577063198 320229018 /nfs/dbraw/zinc/22/90/18/320229018.db2.gz XTLJOZZOEIHALL-HXUWFJFHSA-N 2 2 343.515 2.496 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@@H](NCC[NH+]3CCCOCC3)CC23CC3)cc1 ZINC000577063198 320229021 /nfs/dbraw/zinc/22/90/21/320229021.db2.gz XTLJOZZOEIHALL-HXUWFJFHSA-N 2 2 343.515 2.496 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000185622423 323436743 /nfs/dbraw/zinc/43/67/43/323436743.db2.gz BIRYPHXBXMTSAZ-UHFFFAOYSA-N 2 2 333.411 2.105 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc[nH+]c(N(C)C)n2)cc1 ZINC000528141018 448443729 /nfs/dbraw/zinc/44/37/29/448443729.db2.gz SOOUDMWBDNBHAH-OAHLLOKOSA-N 2 2 327.432 2.238 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@@H]2CNc2cc[nH+]c(N(C)C)n2)cc1 ZINC000528141018 448443737 /nfs/dbraw/zinc/44/37/37/448443737.db2.gz SOOUDMWBDNBHAH-OAHLLOKOSA-N 2 2 327.432 2.238 10 0 EEAELP Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000351447154 465160679 /nfs/dbraw/zinc/16/06/79/465160679.db2.gz USSOYFBVBUZAQW-IBGZPJMESA-N 2 2 330.472 2.345 10 0 EEAELP Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000351447154 465160680 /nfs/dbraw/zinc/16/06/80/465160680.db2.gz USSOYFBVBUZAQW-IBGZPJMESA-N 2 2 330.472 2.345 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000351515577 465196266 /nfs/dbraw/zinc/19/62/66/465196266.db2.gz BXGRMDHMOANVNP-FUHWJXTLSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC000351515577 465196271 /nfs/dbraw/zinc/19/62/71/465196271.db2.gz BXGRMDHMOANVNP-FUHWJXTLSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000351515577 465196279 /nfs/dbraw/zinc/19/62/79/465196279.db2.gz BXGRMDHMOANVNP-FUHWJXTLSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000351515577 465196285 /nfs/dbraw/zinc/19/62/85/465196285.db2.gz BXGRMDHMOANVNP-FUHWJXTLSA-N 2 2 334.508 2.469 10 0 EEAELP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000355784223 465272195 /nfs/dbraw/zinc/27/21/95/465272195.db2.gz OPFCGLBJRNOXAZ-FGTMMUONSA-N 2 2 344.503 2.487 10 0 EEAELP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000355784223 465272200 /nfs/dbraw/zinc/27/22/00/465272200.db2.gz OPFCGLBJRNOXAZ-FGTMMUONSA-N 2 2 344.503 2.487 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)n1cc[nH+]c1 ZINC000521263557 468300746 /nfs/dbraw/zinc/30/07/46/468300746.db2.gz PJPQJXPORQFWNY-XKQJLSEDSA-N 2 2 330.407 2.317 10 0 EEAELP Cc1cc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)nc(C2CC2)[nH+]1 ZINC000116261506 462752088 /nfs/dbraw/zinc/75/20/88/462752088.db2.gz QRBIVNZIKVJSJI-UHFFFAOYSA-N 2 2 326.448 2.108 10 0 EEAELP Cc1cc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)nc(C2CC2)[nH+]1 ZINC000116261506 462752093 /nfs/dbraw/zinc/75/20/93/462752093.db2.gz QRBIVNZIKVJSJI-UHFFFAOYSA-N 2 2 326.448 2.108 10 0 EEAELP CC(=O)Nc1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090004006 462764514 /nfs/dbraw/zinc/76/45/14/462764514.db2.gz FQHGXMZNEJPBFT-CYBMUJFWSA-N 2 2 333.461 2.290 10 0 EEAELP CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090004006 462764517 /nfs/dbraw/zinc/76/45/17/462764517.db2.gz FQHGXMZNEJPBFT-CYBMUJFWSA-N 2 2 333.461 2.290 10 0 EEAELP C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000078714408 463142962 /nfs/dbraw/zinc/14/29/62/463142962.db2.gz HSBQKVGQUHZORI-GOSISDBHSA-N 2 2 344.503 2.488 10 0 EEAELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC000158989578 463263013 /nfs/dbraw/zinc/26/30/13/463263013.db2.gz RCONEEJNZKOLGM-CYBMUJFWSA-N 2 2 328.913 2.398 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@H](C)C1 ZINC000081097016 463394689 /nfs/dbraw/zinc/39/46/89/463394689.db2.gz TYLVKSBVYMYLOP-CABCVRRESA-N 2 2 349.523 2.318 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@H](C)C1 ZINC000081097016 463394692 /nfs/dbraw/zinc/39/46/92/463394692.db2.gz TYLVKSBVYMYLOP-CABCVRRESA-N 2 2 349.523 2.318 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@H](C)C1 ZINC000081097016 463394695 /nfs/dbraw/zinc/39/46/95/463394695.db2.gz TYLVKSBVYMYLOP-CABCVRRESA-N 2 2 349.523 2.318 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)[C@H](C)C1 ZINC000081097016 463394699 /nfs/dbraw/zinc/39/46/99/463394699.db2.gz TYLVKSBVYMYLOP-CABCVRRESA-N 2 2 349.523 2.318 10 0 EEAELP c1cn(-c2ccc(C[N@@H+]3CCCN(c4cccnn4)CC3)cc2)c[nH+]1 ZINC000105799233 463467557 /nfs/dbraw/zinc/46/75/57/463467557.db2.gz KNOHIZHUEZTBFP-UHFFFAOYSA-N 2 2 334.427 2.375 10 0 EEAELP c1cn(-c2ccc(C[N@H+]3CCCN(c4cccnn4)CC3)cc2)c[nH+]1 ZINC000105799233 463467561 /nfs/dbraw/zinc/46/75/61/463467561.db2.gz KNOHIZHUEZTBFP-UHFFFAOYSA-N 2 2 334.427 2.375 10 0 EEAELP COc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000105916010 463497903 /nfs/dbraw/zinc/49/79/03/463497903.db2.gz RZTJINSAGOLYGF-UHFFFAOYSA-N 2 2 328.460 2.488 10 0 EEAELP COc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000105916010 463497909 /nfs/dbraw/zinc/49/79/09/463497909.db2.gz RZTJINSAGOLYGF-UHFFFAOYSA-N 2 2 328.460 2.488 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NCc1ccccc1F ZINC000084001260 463573596 /nfs/dbraw/zinc/57/35/96/463573596.db2.gz RLKJRPWFURRLGM-DZGCQCFKSA-N 2 2 330.407 2.194 10 0 EEAELP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000073906817 463668861 /nfs/dbraw/zinc/66/88/61/463668861.db2.gz WLUATASOQJEFTI-DOTOQJQBSA-N 2 2 343.475 2.343 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000268883907 463793955 /nfs/dbraw/zinc/79/39/55/463793955.db2.gz YNQMAQDLWOWRNI-GIVPXCGWSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000268883907 463793958 /nfs/dbraw/zinc/79/39/58/463793958.db2.gz YNQMAQDLWOWRNI-GIVPXCGWSA-N 3 2 345.531 2.333 10 0 EEAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000261720696 463839150 /nfs/dbraw/zinc/83/91/50/463839150.db2.gz FBGROCRJDZWFTH-INIZCTEOSA-N 2 2 336.395 2.130 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171423364 463860124 /nfs/dbraw/zinc/86/01/24/463860124.db2.gz NIOQPNLIKGPJSH-GOSISDBHSA-N 2 2 326.444 2.422 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171423364 463860128 /nfs/dbraw/zinc/86/01/28/463860128.db2.gz NIOQPNLIKGPJSH-GOSISDBHSA-N 2 2 326.444 2.422 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2ccccc2c(=O)n1C ZINC000178753607 463963481 /nfs/dbraw/zinc/96/34/81/463963481.db2.gz CMFOOPICJCEJSF-HNNXBMFYSA-N 2 2 337.427 2.103 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1C ZINC000178753607 463963488 /nfs/dbraw/zinc/96/34/88/463963488.db2.gz CMFOOPICJCEJSF-HNNXBMFYSA-N 2 2 337.427 2.103 10 0 EEAELP Cc1csc2nc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C)cc(=O)n12 ZINC000178753588 463963748 /nfs/dbraw/zinc/96/37/48/463963748.db2.gz SAAXYYGIYWSMCD-HNNXBMFYSA-N 2 2 343.456 2.234 10 0 EEAELP Cc1csc2nc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C)cc(=O)n12 ZINC000178753588 463963751 /nfs/dbraw/zinc/96/37/51/463963751.db2.gz SAAXYYGIYWSMCD-HNNXBMFYSA-N 2 2 343.456 2.234 10 0 EEAELP CCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281289 464030990 /nfs/dbraw/zinc/03/09/90/464030990.db2.gz IJIUYFGEKCJCPL-SJLPKXTDSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281289 464030994 /nfs/dbraw/zinc/03/09/94/464030994.db2.gz IJIUYFGEKCJCPL-SJLPKXTDSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281289 464030998 /nfs/dbraw/zinc/03/09/98/464030998.db2.gz IJIUYFGEKCJCPL-SJLPKXTDSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281289 464031001 /nfs/dbraw/zinc/03/10/01/464031001.db2.gz IJIUYFGEKCJCPL-SJLPKXTDSA-N 2 2 332.492 2.140 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C2)[nH+]1 ZINC000195516312 464063881 /nfs/dbraw/zinc/06/38/81/464063881.db2.gz BUBZLWTWXUUZHJ-ZDUSSCGKSA-N 2 2 344.381 2.145 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N(C)CC(F)(F)F)C2)[nH+]1 ZINC000195516312 464063885 /nfs/dbraw/zinc/06/38/85/464063885.db2.gz BUBZLWTWXUUZHJ-ZDUSSCGKSA-N 2 2 344.381 2.145 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000263271506 464075412 /nfs/dbraw/zinc/07/54/12/464075412.db2.gz SGFPXTARBNAGKU-BPUTZDHNSA-N 2 2 337.414 2.010 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263271506 464075415 /nfs/dbraw/zinc/07/54/15/464075415.db2.gz SGFPXTARBNAGKU-BPUTZDHNSA-N 2 2 337.414 2.010 10 0 EEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000263312050 464083477 /nfs/dbraw/zinc/08/34/77/464083477.db2.gz YVYPXTOQUYSAKG-CABCVRRESA-N 2 2 329.435 2.098 10 0 EEAELP CC(C)C[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784819 464394029 /nfs/dbraw/zinc/39/40/29/464394029.db2.gz PSPRMSQBKFXHSJ-IRXDYDNUSA-N 2 2 347.507 2.306 10 0 EEAELP CCOCC[N@@H+]1CCN(Cc2[nH+]ccc(OC)c2OC)C[C@H]1CC ZINC000190524015 464667353 /nfs/dbraw/zinc/66/73/53/464667353.db2.gz VOITYAZKYLYRAI-OAHLLOKOSA-N 2 2 337.464 2.032 10 0 EEAELP CCOCC[N@H+]1CCN(Cc2[nH+]ccc(OC)c2OC)C[C@H]1CC ZINC000190524015 464667360 /nfs/dbraw/zinc/66/73/60/464667360.db2.gz VOITYAZKYLYRAI-OAHLLOKOSA-N 2 2 337.464 2.032 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247463671 464681678 /nfs/dbraw/zinc/68/16/78/464681678.db2.gz QZVWYVNJCPTSRW-HZPDHXFCSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000247463671 464681680 /nfs/dbraw/zinc/68/16/80/464681680.db2.gz QZVWYVNJCPTSRW-HZPDHXFCSA-N 2 2 335.496 2.459 10 0 EEAELP COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C ZINC000266688402 464787380 /nfs/dbraw/zinc/78/73/80/464787380.db2.gz AEAFJICVBLMVBI-UHFFFAOYSA-N 2 2 344.415 2.204 10 0 EEAELP Cc1ccn2cc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)[nH+]c2c1 ZINC000266755763 464810220 /nfs/dbraw/zinc/81/02/20/464810220.db2.gz OJFKLZFIIBMJNZ-GDBMZVCRSA-N 2 2 329.448 2.267 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000249703398 464905710 /nfs/dbraw/zinc/90/57/10/464905710.db2.gz ZRZXDUDZZYEWSR-IAGOWNOFSA-N 2 2 326.444 2.352 10 0 EEAELP CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1cn2ccccc2[nH+]1 ZINC000249703398 464905715 /nfs/dbraw/zinc/90/57/15/464905715.db2.gz ZRZXDUDZZYEWSR-IAGOWNOFSA-N 2 2 326.444 2.352 10 0 EEAELP Cn1c2ccc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3)cc2sc1=O ZINC000192721141 464984503 /nfs/dbraw/zinc/98/45/03/464984503.db2.gz IJRNXOPHMLSPIG-AWEZNQCLSA-N 2 2 328.441 2.461 10 0 EEAELP Cn1c2ccc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3)cc2sc1=O ZINC000192721141 464984509 /nfs/dbraw/zinc/98/45/09/464984509.db2.gz IJRNXOPHMLSPIG-AWEZNQCLSA-N 2 2 328.441 2.461 10 0 EEAELP O=C1[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CCN1Cc1ccc(F)cc1 ZINC000298180390 465324783 /nfs/dbraw/zinc/32/47/83/465324783.db2.gz VLCKKPIPACJLPW-GOSISDBHSA-N 2 2 331.435 2.143 10 0 EEAELP CCN(CCC[NH+]1CCCC1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000351785006 465360626 /nfs/dbraw/zinc/36/06/26/465360626.db2.gz QCJUTZAEDPEDAQ-UHFFFAOYSA-N 2 2 327.432 2.215 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCCOC2)CC1 ZINC000352195793 465503691 /nfs/dbraw/zinc/50/36/91/465503691.db2.gz UICAYJWKIYUCFX-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCOC2)CC1 ZINC000352195793 465503700 /nfs/dbraw/zinc/50/37/00/465503700.db2.gz UICAYJWKIYUCFX-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000344615342 465724018 /nfs/dbraw/zinc/72/40/18/465724018.db2.gz FWFDFIYXRBWVLQ-SMDDNHRTSA-N 2 2 325.840 2.217 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000344615342 465724029 /nfs/dbraw/zinc/72/40/29/465724029.db2.gz FWFDFIYXRBWVLQ-SMDDNHRTSA-N 2 2 325.840 2.217 10 0 EEAELP OC[C@H](C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000348642145 465724807 /nfs/dbraw/zinc/72/48/07/465724807.db2.gz NPIJBZRPVDUAKP-VQTJNVASSA-N 2 2 325.456 2.412 10 0 EEAELP OC[C@H](C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000348642145 465724812 /nfs/dbraw/zinc/72/48/12/465724812.db2.gz NPIJBZRPVDUAKP-VQTJNVASSA-N 2 2 325.456 2.412 10 0 EEAELP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2Cc3ccccc3[C@H]2C)C1 ZINC000361074347 465746952 /nfs/dbraw/zinc/74/69/52/465746952.db2.gz UFQACIPJCRFWPX-SJLPKXTDSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2Cc3ccccc3[C@H]2C)C1 ZINC000361074347 465746961 /nfs/dbraw/zinc/74/69/61/465746961.db2.gz UFQACIPJCRFWPX-SJLPKXTDSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2Cc3ccccc3[C@H]2C)C1 ZINC000361074347 465746969 /nfs/dbraw/zinc/74/69/69/465746969.db2.gz UFQACIPJCRFWPX-SJLPKXTDSA-N 2 2 345.487 2.036 10 0 EEAELP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2Cc3ccccc3[C@H]2C)C1 ZINC000361074347 465746978 /nfs/dbraw/zinc/74/69/78/465746978.db2.gz UFQACIPJCRFWPX-SJLPKXTDSA-N 2 2 345.487 2.036 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000580022844 468450564 /nfs/dbraw/zinc/45/05/64/468450564.db2.gz YTNBAMNWVRRZJI-RTBURBONSA-N 2 2 338.455 2.396 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580022844 468450568 /nfs/dbraw/zinc/45/05/68/468450568.db2.gz YTNBAMNWVRRZJI-RTBURBONSA-N 2 2 338.455 2.396 10 0 EEAELP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309895823 466505550 /nfs/dbraw/zinc/50/55/50/466505550.db2.gz DLINPSOQIORQGK-JKSUJKDBSA-N 2 2 343.512 2.190 10 0 EEAELP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309895823 466505559 /nfs/dbraw/zinc/50/55/59/466505559.db2.gz DLINPSOQIORQGK-JKSUJKDBSA-N 2 2 343.512 2.190 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000313285434 466539257 /nfs/dbraw/zinc/53/92/57/466539257.db2.gz TVAMIHJTVAUBIK-LBPRGKRZSA-N 2 2 344.242 2.299 10 0 EEAELP O=C(CC[N@@H+]1CCc2ccccc2C1)NCCCNc1cccc[nH+]1 ZINC000416167165 466724099 /nfs/dbraw/zinc/72/40/99/466724099.db2.gz QFTCFJHXAMPZJV-UHFFFAOYSA-N 2 2 338.455 2.448 10 0 EEAELP O=C(CC[N@H+]1CCc2ccccc2C1)NCCCNc1cccc[nH+]1 ZINC000416167165 466724101 /nfs/dbraw/zinc/72/41/01/466724101.db2.gz QFTCFJHXAMPZJV-UHFFFAOYSA-N 2 2 338.455 2.448 10 0 EEAELP C[NH+](C)CC1(CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)CCCC1 ZINC000373375202 466784080 /nfs/dbraw/zinc/78/40/80/466784080.db2.gz CQOPRMAELQRGTG-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP C[NH+](C)CC1(CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)CCCC1 ZINC000373375202 466784084 /nfs/dbraw/zinc/78/40/84/466784084.db2.gz CQOPRMAELQRGTG-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411994124 466961710 /nfs/dbraw/zinc/96/17/10/466961710.db2.gz YVKSNGYHFHKNNN-GOSISDBHSA-N 2 2 327.472 2.030 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411994124 466961713 /nfs/dbraw/zinc/96/17/13/466961713.db2.gz YVKSNGYHFHKNNN-GOSISDBHSA-N 2 2 327.472 2.030 10 0 EEAELP CCn1nncc1C[NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000417922718 466986654 /nfs/dbraw/zinc/98/66/54/466986654.db2.gz JLHFZFVMWQFPCS-INIZCTEOSA-N 2 2 343.475 2.288 10 0 EEAELP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377769284 467137241 /nfs/dbraw/zinc/13/72/41/467137241.db2.gz UASCUNTYAUACRP-CQSZACIVSA-N 2 2 343.431 2.029 10 0 EEAELP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377769284 467137242 /nfs/dbraw/zinc/13/72/42/467137242.db2.gz UASCUNTYAUACRP-CQSZACIVSA-N 2 2 343.431 2.029 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000377879734 467158569 /nfs/dbraw/zinc/15/85/69/467158569.db2.gz PQIRFRJYOPELFC-UHFFFAOYSA-N 2 2 337.427 2.148 10 0 EEAELP Cn1cc(Br)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000432937313 467276959 /nfs/dbraw/zinc/27/69/59/467276959.db2.gz HJSIIKGRKSMSON-UHFFFAOYSA-N 2 2 341.297 2.490 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428907294 467279990 /nfs/dbraw/zinc/27/99/90/467279990.db2.gz QMZBRUIVOUHZJZ-UHFFFAOYSA-N 2 2 333.480 2.213 10 0 EEAELP CC(C)[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC(C)(C)C1 ZINC000452098234 467322236 /nfs/dbraw/zinc/32/22/36/467322236.db2.gz AMJDBIHMCBPRTA-UHFFFAOYSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)C1CC(C)(C)C1 ZINC000452098234 467322239 /nfs/dbraw/zinc/32/22/39/467322239.db2.gz AMJDBIHMCBPRTA-UHFFFAOYSA-N 2 2 339.524 2.112 10 0 EEAELP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420354581 467375298 /nfs/dbraw/zinc/37/52/98/467375298.db2.gz OVAMFRUBDWPAQV-YOEHRIQHSA-N 2 2 341.459 2.239 10 0 EEAELP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420354581 467375300 /nfs/dbraw/zinc/37/53/00/467375300.db2.gz OVAMFRUBDWPAQV-YOEHRIQHSA-N 2 2 341.459 2.239 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364796 467379886 /nfs/dbraw/zinc/37/98/86/467379886.db2.gz IRXYLNNFKHJVDT-RZQQEMMASA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420364796 467379892 /nfs/dbraw/zinc/37/98/92/467379892.db2.gz IRXYLNNFKHJVDT-RZQQEMMASA-N 2 2 345.487 2.336 10 0 EEAELP O=C(CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000434984874 467440348 /nfs/dbraw/zinc/44/03/48/467440348.db2.gz CNLRNQYIVVFHEQ-UHFFFAOYSA-N 2 2 342.399 2.347 10 0 EEAELP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000453269480 467474242 /nfs/dbraw/zinc/47/42/42/467474242.db2.gz RKQZLGIBTKHKLR-KGLIPLIRSA-N 2 2 340.439 2.340 10 0 EEAELP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OC ZINC000453269480 467474247 /nfs/dbraw/zinc/47/42/47/467474247.db2.gz RKQZLGIBTKHKLR-KGLIPLIRSA-N 2 2 340.439 2.340 10 0 EEAELP OC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccsc1 ZINC000420915357 467512114 /nfs/dbraw/zinc/51/21/14/467512114.db2.gz DTFLLYLYNUZSTL-SFHVURJKSA-N 2 2 332.469 2.404 10 0 EEAELP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000449397050 467638355 /nfs/dbraw/zinc/63/83/55/467638355.db2.gz UJMBDPANRVVHGV-SFHVURJKSA-N 2 2 328.460 2.322 10 0 EEAELP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000449397050 467638357 /nfs/dbraw/zinc/63/83/57/467638357.db2.gz UJMBDPANRVVHGV-SFHVURJKSA-N 2 2 328.460 2.322 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000449399180 467639880 /nfs/dbraw/zinc/63/98/80/467639880.db2.gz YFNUPTXUCHZOJA-AWEZNQCLSA-N 2 2 332.366 2.347 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000449399180 467639882 /nfs/dbraw/zinc/63/98/82/467639882.db2.gz YFNUPTXUCHZOJA-AWEZNQCLSA-N 2 2 332.366 2.347 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@@H](C)CO ZINC000529468583 467867998 /nfs/dbraw/zinc/86/79/98/467867998.db2.gz OCJUYXMOYBSCKN-LBPRGKRZSA-N 2 2 327.388 2.042 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000550491376 468217918 /nfs/dbraw/zinc/21/79/18/468217918.db2.gz MSXVKAGXJXANGD-HUUCEWRRSA-N 2 2 342.443 2.498 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000550491376 468217920 /nfs/dbraw/zinc/21/79/20/468217920.db2.gz MSXVKAGXJXANGD-HUUCEWRRSA-N 2 2 342.443 2.498 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)nc1 ZINC000569809234 468546930 /nfs/dbraw/zinc/54/69/30/468546930.db2.gz QEHMOVMDQIEZAN-UHFFFAOYSA-N 2 2 326.400 2.340 10 0 EEAELP Cc1cccn2cc(CN3CCN(C[C@H]4CCCC[N@H+]4C)CC3)[nH+]c12 ZINC000600645817 468609662 /nfs/dbraw/zinc/60/96/62/468609662.db2.gz OBWKYWDBMCIIQE-LJQANCHMSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccn2cc(CN3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)[nH+]c12 ZINC000600645817 468609666 /nfs/dbraw/zinc/60/96/66/468609666.db2.gz OBWKYWDBMCIIQE-LJQANCHMSA-N 2 2 341.503 2.245 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C[N@@H+]1C1CC1 ZINC000592372374 468684680 /nfs/dbraw/zinc/68/46/80/468684680.db2.gz HFPJQALVOYNUEM-LSDHHAIUSA-N 2 2 338.492 2.340 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C[N@H+]1C1CC1 ZINC000592372374 468684684 /nfs/dbraw/zinc/68/46/84/468684684.db2.gz HFPJQALVOYNUEM-LSDHHAIUSA-N 2 2 338.492 2.340 10 0 EEAELP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000570797574 468694393 /nfs/dbraw/zinc/69/43/93/468694393.db2.gz AMZRBRGZFYMKEO-UONOGXRCSA-N 2 2 339.430 2.434 10 0 EEAELP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000570797574 468694399 /nfs/dbraw/zinc/69/43/99/468694399.db2.gz AMZRBRGZFYMKEO-UONOGXRCSA-N 2 2 339.430 2.434 10 0 EEAELP C[NH+](C)CCn1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cn1 ZINC000600979324 468704983 /nfs/dbraw/zinc/70/49/83/468704983.db2.gz UOBZSYONLIEBHP-INIZCTEOSA-N 2 2 349.866 2.340 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583753598 468751374 /nfs/dbraw/zinc/75/13/74/468751374.db2.gz WFQCRTZWUDAKDS-WRWLIDTKSA-N 2 2 343.471 2.090 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583753598 468751379 /nfs/dbraw/zinc/75/13/79/468751379.db2.gz WFQCRTZWUDAKDS-WRWLIDTKSA-N 2 2 343.471 2.090 10 0 EEAELP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000562603621 469003165 /nfs/dbraw/zinc/00/31/65/469003165.db2.gz XBAPDULZCMHPCM-NRSFXHEJSA-N 2 2 336.501 2.205 10 0 EEAELP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)S(C)(=O)=O ZINC000562603621 469003172 /nfs/dbraw/zinc/00/31/72/469003172.db2.gz XBAPDULZCMHPCM-NRSFXHEJSA-N 2 2 336.501 2.205 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614800308 469058718 /nfs/dbraw/zinc/05/87/18/469058718.db2.gz PCMXEKPTXPHJHO-AWEZNQCLSA-N 2 2 330.432 2.088 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000614800308 469058723 /nfs/dbraw/zinc/05/87/23/469058723.db2.gz PCMXEKPTXPHJHO-AWEZNQCLSA-N 2 2 330.432 2.088 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccco1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614800308 469058729 /nfs/dbraw/zinc/05/87/29/469058729.db2.gz PCMXEKPTXPHJHO-AWEZNQCLSA-N 2 2 330.432 2.088 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000614800308 469058734 /nfs/dbraw/zinc/05/87/34/469058734.db2.gz PCMXEKPTXPHJHO-AWEZNQCLSA-N 2 2 330.432 2.088 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000595905879 469075530 /nfs/dbraw/zinc/07/55/30/469075530.db2.gz IDBVLYNSRSDLDU-HNNXBMFYSA-N 2 2 338.423 2.155 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000595905879 469075535 /nfs/dbraw/zinc/07/55/35/469075535.db2.gz IDBVLYNSRSDLDU-HNNXBMFYSA-N 2 2 338.423 2.155 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)Cc1ccc(F)cc1C ZINC000573964100 469238051 /nfs/dbraw/zinc/23/80/51/469238051.db2.gz RWULESNIHSVBSK-QILLFSRXSA-N 2 2 347.478 2.254 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)Cc1ccc(F)cc1C ZINC000573964100 469238054 /nfs/dbraw/zinc/23/80/54/469238054.db2.gz RWULESNIHSVBSK-QILLFSRXSA-N 2 2 347.478 2.254 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000616381545 469436267 /nfs/dbraw/zinc/43/62/67/469436267.db2.gz UHHRVYJRHPILBD-QXAKKESOSA-N 2 2 333.520 2.441 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000616381545 469436271 /nfs/dbraw/zinc/43/62/71/469436271.db2.gz UHHRVYJRHPILBD-QXAKKESOSA-N 2 2 333.520 2.441 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629384992 469527670 /nfs/dbraw/zinc/52/76/70/469527670.db2.gz KXKPJUFMPIBVBL-LJQANCHMSA-N 2 2 340.471 2.296 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629384992 469527676 /nfs/dbraw/zinc/52/76/76/469527676.db2.gz KXKPJUFMPIBVBL-LJQANCHMSA-N 2 2 340.471 2.296 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)CC2 ZINC000626220143 469546644 /nfs/dbraw/zinc/54/66/44/469546644.db2.gz GVFQYHZJUGPFGR-SOLBZPMBSA-N 2 2 342.487 2.229 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)CC2 ZINC000626220143 469546649 /nfs/dbraw/zinc/54/66/49/469546649.db2.gz GVFQYHZJUGPFGR-SOLBZPMBSA-N 2 2 342.487 2.229 10 0 EEAELP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000623254019 469598261 /nfs/dbraw/zinc/59/82/61/469598261.db2.gz ADHGSPGXPYVLTN-RDJZCZTQSA-N 2 2 344.846 2.242 10 0 EEAELP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000623254019 469598263 /nfs/dbraw/zinc/59/82/63/469598263.db2.gz ADHGSPGXPYVLTN-RDJZCZTQSA-N 2 2 344.846 2.242 10 0 EEAELP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000629660593 469601014 /nfs/dbraw/zinc/60/10/14/469601014.db2.gz WFMCSBBQPTXOHC-WMZOPIPTSA-N 3 2 330.520 2.447 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)CC2 ZINC000626614363 469664025 /nfs/dbraw/zinc/66/40/25/469664025.db2.gz IFCPLFKOBGJIFC-GOSISDBHSA-N 2 2 340.471 2.174 10 0 EEAELP CC(C)OCC[NH+]1CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000624011670 469816539 /nfs/dbraw/zinc/81/65/39/469816539.db2.gz GBTMDNVVDQOPKK-UHFFFAOYSA-N 2 2 339.443 2.430 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000624171898 469863685 /nfs/dbraw/zinc/86/36/85/469863685.db2.gz DUASALCZTWATFZ-YQQAZPJKSA-N 2 2 332.492 2.238 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)CC2 ZINC000627284828 469866221 /nfs/dbraw/zinc/86/62/21/469866221.db2.gz LEDLOQPIFDEGTM-WBVHZDCISA-N 2 2 344.434 2.312 10 0 EEAELP CN(CC1CC[NH+](C)CC1)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630925686 470029252 /nfs/dbraw/zinc/02/92/52/470029252.db2.gz NBGMREJAHSTRRQ-UHFFFAOYSA-N 2 2 326.444 2.215 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000624914326 470044004 /nfs/dbraw/zinc/04/40/04/470044004.db2.gz RVEIOJFSSHVOSP-UHFFFAOYSA-N 2 2 330.457 2.379 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C(F)F)c1F ZINC000628062378 470049902 /nfs/dbraw/zinc/04/99/02/470049902.db2.gz DRVHYROMGOOSIB-UHFFFAOYSA-N 2 2 331.382 2.377 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C(F)F)c1F ZINC000628062378 470049906 /nfs/dbraw/zinc/04/99/06/470049906.db2.gz DRVHYROMGOOSIB-UHFFFAOYSA-N 2 2 331.382 2.377 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000628092998 470054991 /nfs/dbraw/zinc/05/49/91/470054991.db2.gz ZKCVLPJNVXOBGB-HZPDHXFCSA-N 2 2 330.476 2.277 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000628092998 470054993 /nfs/dbraw/zinc/05/49/93/470054993.db2.gz ZKCVLPJNVXOBGB-HZPDHXFCSA-N 2 2 330.476 2.277 10 0 EEAELP OC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631158819 470082534 /nfs/dbraw/zinc/08/25/34/470082534.db2.gz GXEUKBHBFHKXDJ-RTBURBONSA-N 2 2 348.487 2.038 10 0 EEAELP CCOc1cncc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000621715489 470097479 /nfs/dbraw/zinc/09/74/79/470097479.db2.gz WLCMACZYBUYTMI-SFHVURJKSA-N 2 2 332.492 2.082 10 0 EEAELP CCOc1cncc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000621715489 470097482 /nfs/dbraw/zinc/09/74/82/470097482.db2.gz WLCMACZYBUYTMI-SFHVURJKSA-N 2 2 332.492 2.082 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000625500804 470156324 /nfs/dbraw/zinc/15/63/24/470156324.db2.gz BWGSBSCIADCIDL-TZMCWYRMSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000625500804 470156327 /nfs/dbraw/zinc/15/63/27/470156327.db2.gz BWGSBSCIADCIDL-TZMCWYRMSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H]1C[N@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC000631839352 470186725 /nfs/dbraw/zinc/18/67/25/470186725.db2.gz FAHHHHZOVRPQAA-HUUCEWRRSA-N 2 2 338.517 2.284 10 0 EEAELP C[C@@H]1C[N@@H+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1C[NH3+] ZINC000631839352 470186726 /nfs/dbraw/zinc/18/67/26/470186726.db2.gz FAHHHHZOVRPQAA-HUUCEWRRSA-N 2 2 338.517 2.284 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H]1C[NH3+] ZINC000631843022 470187174 /nfs/dbraw/zinc/18/71/74/470187174.db2.gz IMRGGKVGNYOAOR-RBSFLKMASA-N 2 2 333.501 2.431 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)C[C@H]1C[NH3+] ZINC000631843022 470187175 /nfs/dbraw/zinc/18/71/75/470187175.db2.gz IMRGGKVGNYOAOR-RBSFLKMASA-N 2 2 333.501 2.431 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885799 470189169 /nfs/dbraw/zinc/18/91/69/470189169.db2.gz DWSYNRIPZIRYHQ-SJLPKXTDSA-N 2 2 333.451 2.248 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885799 470189170 /nfs/dbraw/zinc/18/91/70/470189170.db2.gz DWSYNRIPZIRYHQ-SJLPKXTDSA-N 2 2 333.451 2.248 10 0 EEAELP C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633197051 470381498 /nfs/dbraw/zinc/38/14/98/470381498.db2.gz OPIBADFKPVVYIJ-ZWKOTPCHSA-N 2 2 340.427 2.012 10 0 EEAELP C[N@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633197051 470381502 /nfs/dbraw/zinc/38/15/02/470381502.db2.gz OPIBADFKPVVYIJ-ZWKOTPCHSA-N 2 2 340.427 2.012 10 0 EEAELP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000642010439 470516356 /nfs/dbraw/zinc/51/63/56/470516356.db2.gz NJKMFPHHDJNZIH-OAGGEKHMSA-N 2 2 345.491 2.236 10 0 EEAELP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3OC3CC3)CC2)C1 ZINC000649382124 470566865 /nfs/dbraw/zinc/56/68/65/470566865.db2.gz LYMQKZQUGMSQGK-GOSISDBHSA-N 2 2 329.488 2.440 10 0 EEAELP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3OC3CC3)CC2)C1 ZINC000649382124 470566872 /nfs/dbraw/zinc/56/68/72/470566872.db2.gz LYMQKZQUGMSQGK-GOSISDBHSA-N 2 2 329.488 2.440 10 0 EEAELP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000649591604 470635850 /nfs/dbraw/zinc/63/58/50/470635850.db2.gz BWUINGHNKFIPBT-KXBFYZLASA-N 2 2 325.460 2.223 10 0 EEAELP Cc1cncc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000649591604 470635856 /nfs/dbraw/zinc/63/58/56/470635856.db2.gz BWUINGHNKFIPBT-KXBFYZLASA-N 2 2 325.460 2.223 10 0 EEAELP C[N@@H+]1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](c2ccccc2)C1 ZINC000647249167 470867896 /nfs/dbraw/zinc/86/78/96/470867896.db2.gz GJLGPPLNQFYGBJ-AEFFLSMTSA-N 2 2 327.476 2.468 10 0 EEAELP C[N@H+]1C[C@@H](C[NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](c2ccccc2)C1 ZINC000647249167 470867898 /nfs/dbraw/zinc/86/78/98/470867898.db2.gz GJLGPPLNQFYGBJ-AEFFLSMTSA-N 2 2 327.476 2.468 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CCC[C@@H](CO)C3)c2cc1C ZINC000647526869 470922719 /nfs/dbraw/zinc/92/27/19/470922719.db2.gz PFBBZKNOGDAACO-BRWVUGGUSA-N 2 2 331.460 2.155 10 0 EEAELP C[C@H](OC[C@H](O)C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000644548247 470979643 /nfs/dbraw/zinc/97/96/43/470979643.db2.gz WVMUCNAKPHEYKE-RRQGHBQHSA-N 2 2 326.868 2.462 10 0 EEAELP C[C@H](OC[C@H](O)C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000644548247 470979647 /nfs/dbraw/zinc/97/96/47/470979647.db2.gz WVMUCNAKPHEYKE-RRQGHBQHSA-N 2 2 326.868 2.462 10 0 EEAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2snc(OC)c2Br)C1 ZINC000638380273 471067931 /nfs/dbraw/zinc/06/79/31/471067931.db2.gz AREDTGKMSJUVPL-VIFPVBQESA-N 2 2 334.283 2.346 10 0 EEAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2snc(OC)c2Br)C1 ZINC000638380273 471067924 /nfs/dbraw/zinc/06/79/24/471067924.db2.gz AREDTGKMSJUVPL-VIFPVBQESA-N 2 2 334.283 2.346 10 0 EEAELP c1nn2c(c1C[NH2+]CCC[NH+]1CCN(c3ccccc3)CC1)CCC2 ZINC000657301177 471090718 /nfs/dbraw/zinc/09/07/18/471090718.db2.gz UQGURXPXTYVYKL-UHFFFAOYSA-N 2 2 339.487 2.131 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162072 471105984 /nfs/dbraw/zinc/10/59/84/471105984.db2.gz GFFPEBVTCFPSRN-NPODOCJWSA-N 2 2 337.826 2.091 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162072 471105989 /nfs/dbraw/zinc/10/59/89/471105989.db2.gz GFFPEBVTCFPSRN-NPODOCJWSA-N 2 2 337.826 2.091 10 0 EEAELP C[C@@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649272 471112354 /nfs/dbraw/zinc/11/23/54/471112354.db2.gz AXKKATSEDCQGQI-JONQDZQNSA-N 2 2 349.479 2.144 10 0 EEAELP C[C@@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649272 471112359 /nfs/dbraw/zinc/11/23/59/471112359.db2.gz AXKKATSEDCQGQI-JONQDZQNSA-N 2 2 349.479 2.144 10 0 EEAELP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000657847163 471240902 /nfs/dbraw/zinc/24/09/02/471240902.db2.gz VGXGLAQFGREBIR-HXUWFJFHSA-N 2 2 347.503 2.467 10 0 EEAELP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658283025 471284513 /nfs/dbraw/zinc/28/45/13/471284513.db2.gz ADDXENRDUMATDN-GXTWGEPZSA-N 2 2 342.281 2.073 10 0 EEAELP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000658283025 471284514 /nfs/dbraw/zinc/28/45/14/471284514.db2.gz ADDXENRDUMATDN-GXTWGEPZSA-N 2 2 342.281 2.073 10 0 EEAELP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000652713723 471338235 /nfs/dbraw/zinc/33/82/35/471338235.db2.gz VXMYDGWLNHNWKV-GVDBMIGSSA-N 2 2 326.444 2.393 10 0 EEAELP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Cn1cc[nH+]c1 ZINC000652713723 471338240 /nfs/dbraw/zinc/33/82/40/471338240.db2.gz VXMYDGWLNHNWKV-GVDBMIGSSA-N 2 2 326.444 2.393 10 0 EEAELP CC[C@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[C@H]1[NH3+] ZINC000669024549 471353818 /nfs/dbraw/zinc/35/38/18/471353818.db2.gz UFBYLATYSPYMHH-SMDDNHRTSA-N 2 2 335.839 2.257 10 0 EEAELP c1ccc(OCCOCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660471841 471356551 /nfs/dbraw/zinc/35/65/51/471356551.db2.gz FLQRXGJBJNMSEV-IBGZPJMESA-N 2 2 348.487 2.269 10 0 EEAELP c1ccc(OCCOCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660471841 471356558 /nfs/dbraw/zinc/35/65/58/471356558.db2.gz FLQRXGJBJNMSEV-IBGZPJMESA-N 2 2 348.487 2.269 10 0 EEAELP CC[N@H+](CC(=O)N[C@@H](C[NH3+])C(F)(F)F)Cc1ccccc1Cl ZINC000655519393 471362513 /nfs/dbraw/zinc/36/25/13/471362513.db2.gz SONIMWMXUPOJMB-LBPRGKRZSA-N 2 2 337.773 2.168 10 0 EEAELP CC[N@@H+](CC(=O)N[C@@H](C[NH3+])C(F)(F)F)Cc1ccccc1Cl ZINC000655519393 471362519 /nfs/dbraw/zinc/36/25/19/471362519.db2.gz SONIMWMXUPOJMB-LBPRGKRZSA-N 2 2 337.773 2.168 10 0 EEAELP C[C@H](NC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1[nH+]ccn1C ZINC000660697555 471448123 /nfs/dbraw/zinc/44/81/23/471448123.db2.gz HVZXNQUUOWFGID-WFASDCNBSA-N 2 2 333.411 2.222 10 0 EEAELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@H]1CCC[NH2+]CC1 ZINC000666676784 471493318 /nfs/dbraw/zinc/49/33/18/471493318.db2.gz ZNZJSUNIAUWCMC-ZDUSSCGKSA-N 2 2 337.493 2.393 10 0 EEAELP C[C@@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000656149059 471606969 /nfs/dbraw/zinc/60/69/69/471606969.db2.gz SQDKRLDXQJLECG-CABCVRRESA-N 2 2 333.480 2.234 10 0 EEAELP C[C@@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000656149059 471606970 /nfs/dbraw/zinc/60/69/70/471606970.db2.gz SQDKRLDXQJLECG-CABCVRRESA-N 2 2 333.480 2.234 10 0 EEAELP O[C@H]1CC[N@H+](Cc2ccc(CNc3cc(NC4CC4)[nH+]cn3)cc2)C1 ZINC000664235791 471689951 /nfs/dbraw/zinc/68/99/51/471689951.db2.gz GOKYVFXBWKPPKI-KRWDZBQOSA-N 2 2 339.443 2.230 10 0 EEAELP O[C@H]1CC[N@@H+](Cc2ccc(CNc3cc(NC4CC4)[nH+]cn3)cc2)C1 ZINC000664235791 471689955 /nfs/dbraw/zinc/68/99/55/471689955.db2.gz GOKYVFXBWKPPKI-KRWDZBQOSA-N 2 2 339.443 2.230 10 0 EEAELP O[C@H]1CC[N@H+](Cc2ccc(CNc3cc(NC4CC4)nc[nH+]3)cc2)C1 ZINC000664235791 471689959 /nfs/dbraw/zinc/68/99/59/471689959.db2.gz GOKYVFXBWKPPKI-KRWDZBQOSA-N 2 2 339.443 2.230 10 0 EEAELP O[C@H]1CC[N@@H+](Cc2ccc(CNc3cc(NC4CC4)nc[nH+]3)cc2)C1 ZINC000664235791 471689963 /nfs/dbraw/zinc/68/99/63/471689963.db2.gz GOKYVFXBWKPPKI-KRWDZBQOSA-N 2 2 339.443 2.230 10 0 EEAELP C[C@H](NC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667247036 471708587 /nfs/dbraw/zinc/70/85/87/471708587.db2.gz XNJNUKUPGBZJFW-KXBFYZLASA-N 2 2 341.459 2.445 10 0 EEAELP C[C@H](NC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667247036 471708593 /nfs/dbraw/zinc/70/85/93/471708593.db2.gz XNJNUKUPGBZJFW-KXBFYZLASA-N 2 2 341.459 2.445 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656701895 471811703 /nfs/dbraw/zinc/81/17/03/471811703.db2.gz FOADRAZSHVUSGK-IRXDYDNUSA-N 2 2 336.476 2.035 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656701895 471811706 /nfs/dbraw/zinc/81/17/06/471811706.db2.gz FOADRAZSHVUSGK-IRXDYDNUSA-N 2 2 336.476 2.035 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000656701975 471812070 /nfs/dbraw/zinc/81/20/70/471812070.db2.gz HIGULGOCBFEMLJ-LSDHHAIUSA-N 2 2 331.460 2.370 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000656701975 471812074 /nfs/dbraw/zinc/81/20/74/471812074.db2.gz HIGULGOCBFEMLJ-LSDHHAIUSA-N 2 2 331.460 2.370 10 0 EEAELP CO[C@@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)[C@H]1CCOC1 ZINC000659990888 471817740 /nfs/dbraw/zinc/81/77/40/471817740.db2.gz ISMCEEMFQDHFEA-PXNSSMCTSA-N 2 2 347.503 2.072 10 0 EEAELP CO[C@@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)[C@H]1CCOC1 ZINC000659990888 471817745 /nfs/dbraw/zinc/81/77/45/471817745.db2.gz ISMCEEMFQDHFEA-PXNSSMCTSA-N 2 2 347.503 2.072 10 0 EEAELP CO[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)[C@@H]1CCOC1 ZINC000659990893 471817866 /nfs/dbraw/zinc/81/78/66/471817866.db2.gz ISMCEEMFQDHFEA-YLJYHZDGSA-N 2 2 347.503 2.072 10 0 EEAELP CO[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)[C@@H]1CCOC1 ZINC000659990893 471817870 /nfs/dbraw/zinc/81/78/70/471817870.db2.gz ISMCEEMFQDHFEA-YLJYHZDGSA-N 2 2 347.503 2.072 10 0 EEAELP CSc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000660012119 471826037 /nfs/dbraw/zinc/82/60/37/471826037.db2.gz LHAVOQLMBACZAK-QGZVFWFLSA-N 2 2 333.501 2.147 10 0 EEAELP CSc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000660012119 471826046 /nfs/dbraw/zinc/82/60/46/471826046.db2.gz LHAVOQLMBACZAK-QGZVFWFLSA-N 2 2 333.501 2.147 10 0 EEAELP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000667710180 471876068 /nfs/dbraw/zinc/87/60/68/471876068.db2.gz XYPNUAWVYDXQQC-FGTMMUONSA-N 2 2 328.416 2.036 10 0 EEAELP CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000667710180 471876072 /nfs/dbraw/zinc/87/60/72/471876072.db2.gz XYPNUAWVYDXQQC-FGTMMUONSA-N 2 2 328.416 2.036 10 0 EEAELP Cc1cccn2c(NC(=O)NC[C@@H]3C[N@H+](CC(C)C)CCO3)c[nH+]c12 ZINC000667947957 471958876 /nfs/dbraw/zinc/95/88/76/471958876.db2.gz IRZQUDBERDBHFM-OAHLLOKOSA-N 2 2 345.447 2.121 10 0 EEAELP Cc1cccn2c(NC(=O)NC[C@@H]3C[N@@H+](CC(C)C)CCO3)c[nH+]c12 ZINC000667947957 471958879 /nfs/dbraw/zinc/95/88/79/471958879.db2.gz IRZQUDBERDBHFM-OAHLLOKOSA-N 2 2 345.447 2.121 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)c2[nH+]ccn2C)cc1F ZINC000665260190 471983945 /nfs/dbraw/zinc/98/39/45/471983945.db2.gz YYZVNLCPPZFWIC-NOLJZWGESA-N 2 2 332.423 2.364 10 0 EEAELP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)n1C ZINC000668141214 472024661 /nfs/dbraw/zinc/02/46/61/472024661.db2.gz YLLBWFZKTOGZLU-GFCCVEGCSA-N 2 2 332.370 2.009 10 0 EEAELP Cc1[nH+]cc(C[N@H+]2CCC[C@H](CNC(=O)CC(F)(F)F)C2)n1C ZINC000668141214 472024665 /nfs/dbraw/zinc/02/46/65/472024665.db2.gz YLLBWFZKTOGZLU-GFCCVEGCSA-N 2 2 332.370 2.009 10 0 EEAELP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000662298365 472059878 /nfs/dbraw/zinc/05/98/78/472059878.db2.gz BKZDIHPDWBDFHP-RXVVDRJESA-N 2 2 335.451 2.457 10 0 EEAELP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000662298365 472059884 /nfs/dbraw/zinc/05/98/84/472059884.db2.gz BKZDIHPDWBDFHP-RXVVDRJESA-N 2 2 335.451 2.457 10 0 EEAELP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320185 472068432 /nfs/dbraw/zinc/06/84/32/472068432.db2.gz RVWIJYVCNVFMJG-WMZOPIPTSA-N 2 2 333.476 2.081 10 0 EEAELP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320185 472068435 /nfs/dbraw/zinc/06/84/35/472068435.db2.gz RVWIJYVCNVFMJG-WMZOPIPTSA-N 2 2 333.476 2.081 10 0 EEAELP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662320333 472069245 /nfs/dbraw/zinc/06/92/45/472069245.db2.gz SYRSWUMOAJPZFS-MJGOQNOKSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662320333 472069248 /nfs/dbraw/zinc/06/92/48/472069248.db2.gz SYRSWUMOAJPZFS-MJGOQNOKSA-N 2 2 347.503 2.042 10 0 EEAELP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320432 472069556 /nfs/dbraw/zinc/06/95/56/472069556.db2.gz UGBZHFCMMQGMQW-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@@H](C(=O)NCC1CCCCC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320432 472069560 /nfs/dbraw/zinc/06/95/60/472069560.db2.gz UGBZHFCMMQGMQW-WMZOPIPTSA-N 2 2 339.524 2.114 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](CCOCC(F)(F)C(F)(F)F)CCO1 ZINC000662323245 472071910 /nfs/dbraw/zinc/07/19/10/472071910.db2.gz NBIYUQITQAVLKB-LBPRGKRZSA-N 2 2 348.356 2.243 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](CCOCC(F)(F)C(F)(F)F)CCO1 ZINC000662323245 472071913 /nfs/dbraw/zinc/07/19/13/472071913.db2.gz NBIYUQITQAVLKB-LBPRGKRZSA-N 2 2 348.356 2.243 10 0 EEAELP Cn1nccc1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000673810961 485541330 /nfs/dbraw/zinc/54/13/30/485541330.db2.gz CCLOVKJENUDNDA-UHFFFAOYSA-N 2 2 333.867 2.115 10 0 EEAELP C[N@H+](C[C@H](O)C[NH2+]Cc1cc(F)c(Br)cc1F)C1CC1 ZINC000629597250 485738342 /nfs/dbraw/zinc/73/83/42/485738342.db2.gz HQCFLTVMDXZHDS-LLVKDONJSA-N 2 2 349.219 2.272 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH2+]Cc1cc(F)c(Br)cc1F)C1CC1 ZINC000629597250 485738346 /nfs/dbraw/zinc/73/83/46/485738346.db2.gz HQCFLTVMDXZHDS-LLVKDONJSA-N 2 2 349.219 2.272 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000676154682 486155686 /nfs/dbraw/zinc/15/56/86/486155686.db2.gz QFHAOHRHBNVCLZ-UNGSAITNSA-N 2 2 334.508 2.033 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC4CCC3CC4)C2)CC1 ZINC000676154682 486155690 /nfs/dbraw/zinc/15/56/90/486155690.db2.gz QFHAOHRHBNVCLZ-UNGSAITNSA-N 2 2 334.508 2.033 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000677940733 486530026 /nfs/dbraw/zinc/53/00/26/486530026.db2.gz YIKLXGSUDPFNSR-GVDBMIGSSA-N 2 2 337.414 2.311 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000677940733 486530032 /nfs/dbraw/zinc/53/00/32/486530032.db2.gz YIKLXGSUDPFNSR-GVDBMIGSSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000677940733 486530036 /nfs/dbraw/zinc/53/00/36/486530036.db2.gz YIKLXGSUDPFNSR-GVDBMIGSSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000677940733 486530041 /nfs/dbraw/zinc/53/00/41/486530041.db2.gz YIKLXGSUDPFNSR-GVDBMIGSSA-N 2 2 337.414 2.311 10 0 EEAELP Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682806894 486558650 /nfs/dbraw/zinc/55/86/50/486558650.db2.gz FEUUNGJWCISFFS-OAHLLOKOSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1nc(CC(C)C)oc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682806894 486558653 /nfs/dbraw/zinc/55/86/53/486558653.db2.gz FEUUNGJWCISFFS-OAHLLOKOSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888657 528683210 /nfs/dbraw/zinc/68/32/10/528683210.db2.gz UDSKXHMMRARQCT-JKSUJKDBSA-N 2 2 344.459 2.454 10 0 EEAELP CCC[C@@H](C(=O)N1CC[NH+](Cc2ccccc2OC)CC1)[NH+](C)C ZINC000132762669 528840230 /nfs/dbraw/zinc/84/02/30/528840230.db2.gz IBTPUPLYYODNOZ-KRWDZBQOSA-N 2 2 333.476 2.070 10 0 EEAELP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000429531720 536136687 /nfs/dbraw/zinc/13/66/87/536136687.db2.gz WJNOHBAJMCSAPU-KGLIPLIRSA-N 2 2 335.414 2.203 10 0 EEAELP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000429531720 536136690 /nfs/dbraw/zinc/13/66/90/536136690.db2.gz WJNOHBAJMCSAPU-KGLIPLIRSA-N 2 2 335.414 2.203 10 0 EEAELP COc1cccc(COCC(N)=[NH+]OCCCn2cc[nH+]c2C)c1 ZINC000769565474 577580683 /nfs/dbraw/zinc/58/06/83/577580683.db2.gz XTDGGTMTXHTRCI-UHFFFAOYSA-N 2 2 332.404 2.305 10 0 EEAELP COC(=O)CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000753544512 577789646 /nfs/dbraw/zinc/78/96/46/577789646.db2.gz MYWUTCWNBFQWMS-UHFFFAOYSA-N 2 2 349.456 2.478 10 0 EEAELP COC(=O)CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCOCC1 ZINC000753544512 577789647 /nfs/dbraw/zinc/78/96/47/577789647.db2.gz MYWUTCWNBFQWMS-UHFFFAOYSA-N 2 2 349.456 2.478 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000755790553 577831429 /nfs/dbraw/zinc/83/14/29/577831429.db2.gz MWVXDHPPVJJJDX-AWEZNQCLSA-N 2 2 339.399 2.003 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000755790553 577831430 /nfs/dbraw/zinc/83/14/30/577831430.db2.gz MWVXDHPPVJJJDX-AWEZNQCLSA-N 2 2 339.399 2.003 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)c3ccc(F)cc3C)CC2)c1 ZINC000746665602 577931919 /nfs/dbraw/zinc/93/19/19/577931919.db2.gz FHBGMUVNURARET-GOSISDBHSA-N 2 2 345.418 2.393 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000895459971 684608041 /nfs/dbraw/zinc/60/80/41/684608041.db2.gz CUQARRXJHCTXSP-SUMWQHHRSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000895459971 684608043 /nfs/dbraw/zinc/60/80/43/684608043.db2.gz CUQARRXJHCTXSP-SUMWQHHRSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000895459971 684608044 /nfs/dbraw/zinc/60/80/44/684608044.db2.gz CUQARRXJHCTXSP-SUMWQHHRSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000895459971 684608045 /nfs/dbraw/zinc/60/80/45/684608045.db2.gz CUQARRXJHCTXSP-SUMWQHHRSA-N 2 2 327.428 2.481 10 0 EEAELP CCc1[nH]c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1C(=O)OC ZINC000895556186 684641351 /nfs/dbraw/zinc/64/13/51/684641351.db2.gz GNHNVYHMHDOQLA-AWEZNQCLSA-N 2 2 342.443 2.469 10 0 EEAELP CCc1[nH]c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1C(=O)OC ZINC000895556186 684641354 /nfs/dbraw/zinc/64/13/54/684641354.db2.gz GNHNVYHMHDOQLA-AWEZNQCLSA-N 2 2 342.443 2.469 10 0 EEAELP C[C@H]1C[N@H+](Cc2c3c(nn2C)CCSC3)CCN1c1cc[nH+]cc1 ZINC000895558730 684642013 /nfs/dbraw/zinc/64/20/13/684642013.db2.gz VZUWLGGNWWHAAK-AWEZNQCLSA-N 2 2 343.500 2.315 10 0 EEAELP C[C@H]1C[N@@H+](Cc2c3c(nn2C)CCSC3)CCN1c1cc[nH+]cc1 ZINC000895558730 684642014 /nfs/dbraw/zinc/64/20/14/684642014.db2.gz VZUWLGGNWWHAAK-AWEZNQCLSA-N 2 2 343.500 2.315 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)c[nH+]1 ZINC000896388638 684962967 /nfs/dbraw/zinc/96/29/67/684962967.db2.gz FLUVPRSIXZEAHK-UHFFFAOYSA-N 2 2 332.423 2.444 10 0 EEAELP CN(C(=O)C[C@H]1CCC2(CCC2)O1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989811 686037474 /nfs/dbraw/zinc/03/74/74/686037474.db2.gz WFWRKIWJALRDFR-ZWKOTPCHSA-N 2 2 349.519 2.105 10 0 EEAELP CN(C(=O)C[C@H]1CCC2(CCC2)O1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989811 686037477 /nfs/dbraw/zinc/03/74/77/686037477.db2.gz WFWRKIWJALRDFR-ZWKOTPCHSA-N 2 2 349.519 2.105 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001485538270 1191827692 /nfs/dbraw/zinc/82/76/92/1191827692.db2.gz FAHXBCLDJQRFIT-HNNXBMFYSA-N 2 2 338.455 2.397 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001485541330 1191829023 /nfs/dbraw/zinc/82/90/23/1191829023.db2.gz ZRRZNZZFXHVMML-ZDUSSCGKSA-N 2 2 339.430 2.242 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)cc(F)c2)C1 ZINC001485541330 1191829024 /nfs/dbraw/zinc/82/90/24/1191829024.db2.gz ZRRZNZZFXHVMML-ZDUSSCGKSA-N 2 2 339.430 2.242 10 0 EEAELP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2nc3ccccc3o2)C1)[NH+](C)C ZINC001485534010 1191830435 /nfs/dbraw/zinc/83/04/35/1191830435.db2.gz XJWLKFQDBZZWEB-XJKSGUPXSA-N 2 2 344.459 2.105 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2csc(C)n2)CC1(C)C ZINC001485581764 1191848343 /nfs/dbraw/zinc/84/83/43/1191848343.db2.gz JVJVTFXISFTARE-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2csc(C)n2)CC1(C)C ZINC001485581764 1191848345 /nfs/dbraw/zinc/84/83/45/1191848345.db2.gz JVJVTFXISFTARE-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1C[N@H+](Cc2csc(C)n2)CC1(C)C ZINC001485581764 1191848348 /nfs/dbraw/zinc/84/83/48/1191848348.db2.gz JVJVTFXISFTARE-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC001485581764 1191848350 /nfs/dbraw/zinc/84/83/50/1191848350.db2.gz JVJVTFXISFTARE-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@H+](CC2CCCC2)CC1(C)C ZINC001485572871 1191850976 /nfs/dbraw/zinc/85/09/76/1191850976.db2.gz PKVCPPOGSQEIFP-MRXNPFEDSA-N 2 2 332.492 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)CC1(C)C ZINC001485572871 1191850977 /nfs/dbraw/zinc/85/09/77/1191850977.db2.gz PKVCPPOGSQEIFP-MRXNPFEDSA-N 2 2 332.492 2.370 10 0 EEAELP CCC[NH2+]C[C@@H]1CC2(CO1)CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)CC2 ZINC001485672288 1191890571 /nfs/dbraw/zinc/89/05/71/1191890571.db2.gz FNJRTZKUHMZBSM-SJORKVTESA-N 2 2 348.491 2.232 10 0 EEAELP C[C@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485727022 1191911790 /nfs/dbraw/zinc/91/17/90/1191911790.db2.gz ITMYXGIGBLNLMX-NEPJUHHUSA-N 2 2 341.393 2.246 10 0 EEAELP C[C@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001485727022 1191911793 /nfs/dbraw/zinc/91/17/93/1191911793.db2.gz ITMYXGIGBLNLMX-NEPJUHHUSA-N 2 2 341.393 2.246 10 0 EEAELP C[C@H](CCC[NH2+]Cc1nccs1)NC(=O)c1cccc2[nH+]ccn21 ZINC001485731023 1191921420 /nfs/dbraw/zinc/92/14/20/1191921420.db2.gz WWBQXGYNHLGWKQ-CYBMUJFWSA-N 2 2 343.456 2.479 10 0 EEAELP CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266520031 1176722287 /nfs/dbraw/zinc/72/22/87/1176722287.db2.gz DOHKLPOIMFKUJB-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP CCCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266520031 1176722293 /nfs/dbraw/zinc/72/22/93/1176722293.db2.gz DOHKLPOIMFKUJB-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001485818407 1192762359 /nfs/dbraw/zinc/76/23/59/1192762359.db2.gz YWGOPCVWFOMQKO-FNKCSIJBSA-N 2 2 336.867 2.025 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001670490093 1176830176 /nfs/dbraw/zinc/83/01/76/1176830176.db2.gz GTWAIMDRDHZQSW-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001691182278 1177681644 /nfs/dbraw/zinc/68/16/44/1177681644.db2.gz UXQAJIFDWWZUBE-WKILWMFISA-N 2 2 346.500 2.439 10 0 EEAELP CN(CC[NH2+]CC1=CCCCC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001691327750 1177917063 /nfs/dbraw/zinc/91/70/63/1177917063.db2.gz YBMZLGARCZZMFS-UHFFFAOYSA-N 2 2 330.476 2.310 10 0 EEAELP COCc1cccc(C[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001266988183 1178044561 /nfs/dbraw/zinc/04/45/61/1178044561.db2.gz GLWYILULXNTCHG-UHFFFAOYSA-N 2 2 344.459 2.082 10 0 EEAELP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267047905 1178146639 /nfs/dbraw/zinc/14/66/39/1178146639.db2.gz PZVYQWOFQKMGHT-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP CC/C=C/CC[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001267213641 1178510410 /nfs/dbraw/zinc/51/04/10/1178510410.db2.gz SMKSQVRPVZSFFR-SHCNBLLESA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001267213641 1178510418 /nfs/dbraw/zinc/51/04/18/1178510418.db2.gz SMKSQVRPVZSFFR-SHCNBLLESA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001267213641 1178510427 /nfs/dbraw/zinc/51/04/27/1178510427.db2.gz SMKSQVRPVZSFFR-SHCNBLLESA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001267213641 1178510432 /nfs/dbraw/zinc/51/04/32/1178510432.db2.gz SMKSQVRPVZSFFR-SHCNBLLESA-N 2 2 337.508 2.034 10 0 EEAELP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001267826761 1180593267 /nfs/dbraw/zinc/59/32/67/1180593267.db2.gz LYDKUBPVVXJFMA-INIZCTEOSA-N 2 2 339.443 2.129 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC1(C[NH2+]CC[C@H](C)F)CCCC1 ZINC001267838855 1180614320 /nfs/dbraw/zinc/61/43/20/1180614320.db2.gz BLRPXMVOQBUJFZ-AWEZNQCLSA-N 2 2 337.439 2.399 10 0 EEAELP Cc1oncc1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001481371271 1181144868 /nfs/dbraw/zinc/14/48/68/1181144868.db2.gz BWBAGOSHXXPXJH-SFHVURJKSA-N 2 2 342.443 2.026 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001268224584 1182036209 /nfs/dbraw/zinc/03/62/09/1182036209.db2.gz MHQOREMXWCRIND-DZEIUGAOSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001268224584 1182036217 /nfs/dbraw/zinc/03/62/17/1182036217.db2.gz MHQOREMXWCRIND-DZEIUGAOSA-N 2 2 330.476 2.461 10 0 EEAELP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001481780138 1182683583 /nfs/dbraw/zinc/68/35/83/1182683583.db2.gz ZJQOVANQBTXTAV-IAGOWNOFSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001481780138 1182683587 /nfs/dbraw/zinc/68/35/87/1182683587.db2.gz ZJQOVANQBTXTAV-IAGOWNOFSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001481780138 1182683594 /nfs/dbraw/zinc/68/35/94/1182683594.db2.gz ZJQOVANQBTXTAV-IAGOWNOFSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001481780138 1182683597 /nfs/dbraw/zinc/68/35/97/1182683597.db2.gz ZJQOVANQBTXTAV-IAGOWNOFSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)Cc1c[nH+]cn1C ZINC001268491074 1182987012 /nfs/dbraw/zinc/98/70/12/1182987012.db2.gz KOODCQLCCOBENZ-UHFFFAOYSA-N 2 2 334.851 2.254 10 0 EEAELP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001482000057 1183114010 /nfs/dbraw/zinc/11/40/10/1183114010.db2.gz DVDDMHGCJXUSKW-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c2ncc(C)o2)CC[N@@H+]1C ZINC001268542907 1183214871 /nfs/dbraw/zinc/21/48/71/1183214871.db2.gz SFENIWJPTQOORT-SNJGYRBVSA-N 2 2 334.464 2.036 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c2ncc(C)o2)CC[N@H+]1C ZINC001268542907 1183214875 /nfs/dbraw/zinc/21/48/75/1183214875.db2.gz SFENIWJPTQOORT-SNJGYRBVSA-N 2 2 334.464 2.036 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)Cc2c[nH+]cn2C)c1 ZINC001268613506 1183528190 /nfs/dbraw/zinc/52/81/90/1183528190.db2.gz NNBVSNAEVGBNAX-PLNGDYQASA-N 2 2 326.444 2.042 10 0 EEAELP COc1cc(C[NH2+]C/C=C\CNC(=O)Cn2cc[nH+]c2)ccc1Cl ZINC001268635015 1183564226 /nfs/dbraw/zinc/56/42/26/1183564226.db2.gz VWFIGBJFWJEESN-IHWYPQMZSA-N 2 2 348.834 2.007 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)Cc2c[nH+]cn2C)c1 ZINC001268914859 1183823155 /nfs/dbraw/zinc/82/31/55/1183823155.db2.gz GOBOFJQAHLKYRI-OAHLLOKOSA-N 2 2 344.459 2.171 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC001269422565 1184255033 /nfs/dbraw/zinc/25/50/33/1184255033.db2.gz GQQPYFPXWQAQOX-NSHDSACASA-N 2 2 345.274 2.165 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CC1 ZINC001269422565 1184255038 /nfs/dbraw/zinc/25/50/38/1184255038.db2.gz GQQPYFPXWQAQOX-NSHDSACASA-N 2 2 345.274 2.165 10 0 EEAELP C[C@@H](O)CCC[NH2+]C[C@@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001269622209 1184447790 /nfs/dbraw/zinc/44/77/90/1184447790.db2.gz DIABYKJMYPEFKQ-BFUOFWGJSA-N 2 2 344.459 2.212 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC(CC[NH2+]C/C(Cl)=C/Cl)CC1 ZINC001269913303 1184712252 /nfs/dbraw/zinc/71/22/52/1184712252.db2.gz KJOLHYZCWXICPN-JYRVWZFOSA-N 2 2 345.274 2.490 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001280273759 1185325028 /nfs/dbraw/zinc/32/50/28/1185325028.db2.gz IKWSSWFLSVZWBM-GFCCVEGCSA-N 2 2 345.274 2.408 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001270797214 1185391955 /nfs/dbraw/zinc/39/19/55/1185391955.db2.gz NBWJQDAYOIEFFI-MDZRGWNJSA-N 2 2 330.476 2.152 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccn1 ZINC001482460049 1185923341 /nfs/dbraw/zinc/92/33/41/1185923341.db2.gz AJHGSZDDECXTKZ-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccsc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001271171812 1186050294 /nfs/dbraw/zinc/05/02/94/1186050294.db2.gz UEVXNFZBWAJWLP-CQSZACIVSA-N 2 2 334.489 2.093 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCC(F)(F)F ZINC001482537656 1186591964 /nfs/dbraw/zinc/59/19/64/1186591964.db2.gz FQZDZNDRNHQUPT-OLZOCXBDSA-N 2 2 346.397 2.128 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)Cc1ccc(Cl)s1 ZINC001496743232 1186723449 /nfs/dbraw/zinc/72/34/49/1186723449.db2.gz VKJYLDAYSMVXEG-UHFFFAOYSA-N 2 2 340.880 2.497 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC001496743232 1186723455 /nfs/dbraw/zinc/72/34/55/1186723455.db2.gz VKJYLDAYSMVXEG-UHFFFAOYSA-N 2 2 340.880 2.497 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001482688331 1187663347 /nfs/dbraw/zinc/66/33/47/1187663347.db2.gz GPGKITMGRXLSSL-CRAIPNDOSA-N 2 2 344.434 2.209 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2cncc(C)c2)c[nH+]1 ZINC001482842674 1187761736 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2.391 10 0 EEAELP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCC(F)(F)F)CC2 ZINC001409632991 1190133193 /nfs/dbraw/zinc/13/31/93/1190133193.db2.gz SRUINDTZQIJOCJ-DGCLKSJQSA-N 2 2 346.397 2.143 10 0 EEAELP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCC(F)(F)F)CC2 ZINC001409632991 1190133195 /nfs/dbraw/zinc/13/31/95/1190133195.db2.gz SRUINDTZQIJOCJ-DGCLKSJQSA-N 2 2 346.397 2.143 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC001409685510 1190186951 /nfs/dbraw/zinc/18/69/51/1190186951.db2.gz CEXKQGFKSZHCBU-WMZOPIPTSA-N 2 2 340.471 2.440 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC[C@@H]1CCc2ccccc21 ZINC001409685510 1190186955 /nfs/dbraw/zinc/18/69/55/1190186955.db2.gz CEXKQGFKSZHCBU-WMZOPIPTSA-N 2 2 340.471 2.440 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001483589366 1190576358 /nfs/dbraw/zinc/57/63/58/1190576358.db2.gz FBVOGZZGHKAKHV-HNNXBMFYSA-N 2 2 345.447 2.057 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001272598717 1190913274 /nfs/dbraw/zinc/91/32/74/1190913274.db2.gz JKRZFPXPEAUINH-AWEZNQCLSA-N 2 2 332.473 2.085 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]Cc2cccc(C(C)C)n2)CC1 ZINC001483786437 1191028250 /nfs/dbraw/zinc/02/82/50/1191028250.db2.gz YEFJHZFZBQNFFI-UHFFFAOYSA-N 2 2 341.459 2.218 10 0 EEAELP CCOCC[NH+]1CCC2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001483836833 1191087739 /nfs/dbraw/zinc/08/77/39/1191087739.db2.gz MTHIANBUELPUFM-QGZVFWFLSA-N 2 2 348.491 2.185 10 0 EEAELP CC(C)COCC[NH+]1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001483892743 1191111898 /nfs/dbraw/zinc/11/18/98/1191111898.db2.gz GEFPSZSCXOWYNK-UHFFFAOYSA-N 2 2 347.503 2.177 10 0 EEAELP C[C@@]1(C[NH2+]CC[C@H]2CCCO2)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001484127535 1191225009 /nfs/dbraw/zinc/22/50/09/1191225009.db2.gz ANOYKMIKJIYFJK-MJGOQNOKSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCOC(C)C)C2 ZINC001484321121 1191303609 /nfs/dbraw/zinc/30/36/09/1191303609.db2.gz CQJOYAXEAHSUHK-ULQDDVLXSA-N 2 2 348.491 2.045 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCOC(C)C)C2 ZINC001484321121 1191303610 /nfs/dbraw/zinc/30/36/10/1191303610.db2.gz CQJOYAXEAHSUHK-ULQDDVLXSA-N 2 2 348.491 2.045 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001691647197 1191343791 /nfs/dbraw/zinc/34/37/91/1191343791.db2.gz XWJRSBAVUYAVOU-DOTOQJQBSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CCCCCF)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001691647197 1191343793 /nfs/dbraw/zinc/34/37/93/1191343793.db2.gz XWJRSBAVUYAVOU-DOTOQJQBSA-N 2 2 336.455 2.118 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001484616967 1191443628 /nfs/dbraw/zinc/44/36/28/1191443628.db2.gz VKXYZJOTEBQQQD-CDNPWBLBSA-N 2 2 336.867 2.169 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001485235457 1191701242 /nfs/dbraw/zinc/70/12/42/1191701242.db2.gz XIRXFUIDRNZHNU-LSDHHAIUSA-N 2 2 326.444 2.444 10 0 EEAELP COCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001485239132 1191705624 /nfs/dbraw/zinc/70/56/24/1191705624.db2.gz BMKQIHOWTVMWPR-BHUNQDJPSA-N 2 2 348.491 2.299 10 0 EEAELP COCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001485239132 1191705626 /nfs/dbraw/zinc/70/56/26/1191705626.db2.gz BMKQIHOWTVMWPR-BHUNQDJPSA-N 2 2 348.491 2.299 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001486178942 1193717159 /nfs/dbraw/zinc/71/71/59/1193717159.db2.gz WOCHDTFDXVHLSQ-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP COCCC[N@H+]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001486178942 1193717161 /nfs/dbraw/zinc/71/71/61/1193717161.db2.gz WOCHDTFDXVHLSQ-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH2+]Cc1nc(C)c(C)o1)C(C)(C)C ZINC001486404733 1193929025 /nfs/dbraw/zinc/92/90/25/1193929025.db2.gz KHEAFKMLYFWKBM-HNNXBMFYSA-N 2 2 347.463 2.117 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1C ZINC000872149440 1198058228 /nfs/dbraw/zinc/05/82/28/1198058228.db2.gz NXPGWQYOJDMMHF-OCCSQVGLSA-N 2 2 330.350 2.351 10 0 EEAELP COC(=O)c1cc(C[N@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)ccc1C ZINC000872149440 1198058237 /nfs/dbraw/zinc/05/82/37/1198058237.db2.gz NXPGWQYOJDMMHF-OCCSQVGLSA-N 2 2 330.350 2.351 10 0 EEAELP CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000872235192 1198103018 /nfs/dbraw/zinc/10/30/18/1198103018.db2.gz DGTKPXNZHCVWIS-IRXDYDNUSA-N 2 2 326.481 2.077 10 0 EEAELP CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000872235192 1198103022 /nfs/dbraw/zinc/10/30/22/1198103022.db2.gz DGTKPXNZHCVWIS-IRXDYDNUSA-N 2 2 326.481 2.077 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC[C@H](C)F)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001411193782 1198889707 /nfs/dbraw/zinc/88/97/07/1198889707.db2.gz DVRIMZHLUQSNFZ-JKSUJKDBSA-N 2 2 338.471 2.362 10 0 EEAELP CC(C)N(CC[N@H+](C)CC[C@H](C)F)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001411193782 1198889710 /nfs/dbraw/zinc/88/97/10/1198889710.db2.gz DVRIMZHLUQSNFZ-JKSUJKDBSA-N 2 2 338.471 2.362 10 0 EEAELP C[C@H](F)CC[NH+]1CCC(C2(NC(=O)CCn3cc[nH+]c3)CC2)CC1 ZINC001411251436 1198975935 /nfs/dbraw/zinc/97/59/35/1198975935.db2.gz JGPPNROWDKHNJV-HNNXBMFYSA-N 2 2 336.455 2.382 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC[NH2+]CC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000870911437 1200948701 /nfs/dbraw/zinc/94/87/01/1200948701.db2.gz WWLMECJZMWVWDI-FUHWJXTLSA-N 2 2 337.414 2.216 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC[NH2+]CC2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000870911437 1200948710 /nfs/dbraw/zinc/94/87/10/1200948710.db2.gz WWLMECJZMWVWDI-FUHWJXTLSA-N 2 2 337.414 2.216 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000869105722 1201940354 /nfs/dbraw/zinc/94/03/54/1201940354.db2.gz YKTQOYXVIXZXCI-MJGOQNOKSA-N 2 2 342.487 2.443 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000869105722 1201940356 /nfs/dbraw/zinc/94/03/56/1201940356.db2.gz YKTQOYXVIXZXCI-MJGOQNOKSA-N 2 2 342.487 2.443 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000869105720 1201940821 /nfs/dbraw/zinc/94/08/21/1201940821.db2.gz YKTQOYXVIXZXCI-HKUYNNGSSA-N 2 2 342.487 2.443 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000869105720 1201940822 /nfs/dbraw/zinc/94/08/22/1201940822.db2.gz YKTQOYXVIXZXCI-HKUYNNGSSA-N 2 2 342.487 2.443 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CC[C@H]1CCCC1(F)F ZINC001274534366 1205070165 /nfs/dbraw/zinc/07/01/65/1205070165.db2.gz LNUAIFJZLHOITP-PYLYLYNFSA-N 2 2 340.418 2.348 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1cccc(C(F)F)c1 ZINC001274630444 1205105627 /nfs/dbraw/zinc/10/56/27/1205105627.db2.gz FDBFDXUOYSFTEO-OWOJBTEDSA-N 2 2 334.370 2.283 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001275120899 1205262288 /nfs/dbraw/zinc/26/22/88/1205262288.db2.gz IEFIIXVYOLSDPV-DLBZAZTESA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001275120899 1205262290 /nfs/dbraw/zinc/26/22/90/1205262290.db2.gz IEFIIXVYOLSDPV-DLBZAZTESA-N 2 2 330.476 2.335 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)CCc1[nH+]ccn1C ZINC001276144139 1205796708 /nfs/dbraw/zinc/79/67/08/1205796708.db2.gz JRFKSKJUXYXNSC-UHFFFAOYSA-N 2 2 332.423 2.130 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001276253414 1205856033 /nfs/dbraw/zinc/85/60/33/1205856033.db2.gz URFIXGJPRBHBSY-CYBMUJFWSA-N 2 2 333.436 2.077 10 0 EEAELP CCNC(=O)COc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924718183 1206023485 /nfs/dbraw/zinc/02/34/85/1206023485.db2.gz MNYGVYSSIFQSER-OALUTQOASA-N 2 2 345.487 2.308 10 0 EEAELP CCNC(=O)COc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924718183 1206023488 /nfs/dbraw/zinc/02/34/88/1206023488.db2.gz MNYGVYSSIFQSER-OALUTQOASA-N 2 2 345.487 2.308 10 0 EEAELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)OCCO2 ZINC000925792776 1206154489 /nfs/dbraw/zinc/15/44/89/1206154489.db2.gz HAGXXZBLWOHGRR-ZBFHGGJFSA-N 2 2 332.444 2.267 10 0 EEAELP [NH3+][C@H]1CN(C(=O)Nc2ccn3cc[nH+]c3c2)CC[C@H]1C(F)(F)F ZINC000926105335 1206192711 /nfs/dbraw/zinc/19/27/11/1206192711.db2.gz CCYZSPANTRXILA-MNOVXSKESA-N 2 2 327.310 2.078 10 0 EEAELP Cc1cccc(C)c1OC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310280 1206623465 /nfs/dbraw/zinc/62/34/65/1206623465.db2.gz XUMYKHUFZVNCJG-HOJAQTOUSA-N 2 2 332.488 2.317 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+]([C@@H]3CCCN(c4ccccc4)C3=O)C[C@]2(C)C1 ZINC000931311473 1206623880 /nfs/dbraw/zinc/62/38/80/1206623880.db2.gz QAZMGOOBOVFWRO-RLLQIKCJSA-N 2 2 327.472 2.456 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+]([C@@H]3CCCN(c4ccccc4)C3=O)C[C@]2(C)C1 ZINC000931311473 1206623881 /nfs/dbraw/zinc/62/38/81/1206623881.db2.gz QAZMGOOBOVFWRO-RLLQIKCJSA-N 2 2 327.472 2.456 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+]([C@@H]3CCCN(c4ccccc4)C3=O)C[C@]2(C)C1 ZINC000931311473 1206623882 /nfs/dbraw/zinc/62/38/82/1206623882.db2.gz QAZMGOOBOVFWRO-RLLQIKCJSA-N 2 2 327.472 2.456 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+]([C@@H]3CCCN(c4ccccc4)C3=O)C[C@]2(C)C1 ZINC000931311473 1206623883 /nfs/dbraw/zinc/62/38/83/1206623883.db2.gz QAZMGOOBOVFWRO-RLLQIKCJSA-N 2 2 327.472 2.456 10 0 EEAELP C/C(=C\C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)C[NH+]1CCOCC1 ZINC000900952456 1235037481 /nfs/dbraw/zinc/03/74/81/1235037481.db2.gz RLFXOOPYCFYWJY-GXDHUFHOSA-N 2 2 335.423 2.104 10 0 EEAELP C[N@H+](CC(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)Cc1ccccc1 ZINC001413395156 1236281049 /nfs/dbraw/zinc/28/10/49/1236281049.db2.gz QKAJZYNFTDTLCA-HXUWFJFHSA-N 2 2 337.467 2.162 10 0 EEAELP C[N@@H+](CC(=O)N1CC[NH2+][C@H](Cc2ccccc2)C1)Cc1ccccc1 ZINC001413395156 1236281054 /nfs/dbraw/zinc/28/10/54/1236281054.db2.gz QKAJZYNFTDTLCA-HXUWFJFHSA-N 2 2 337.467 2.162 10 0 EEAELP C[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)CN1CCOCC1 ZINC000902811775 1238597499 /nfs/dbraw/zinc/59/74/99/1238597499.db2.gz GMKFOMQJIYHZOM-IAGOWNOFSA-N 2 2 328.460 2.491 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001267900820 1276832039 /nfs/dbraw/zinc/83/20/39/1276832039.db2.gz OKAPWSLFNYTRIE-INIZCTEOSA-N 2 2 344.434 2.441 10 0 EEAELP CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647017 1286320595 /nfs/dbraw/zinc/32/05/95/1286320595.db2.gz CGOYAJPHVVWHFY-MSOLQXFVSA-N 2 2 344.503 2.283 10 0 EEAELP CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647017 1286320599 /nfs/dbraw/zinc/32/05/99/1286320599.db2.gz CGOYAJPHVVWHFY-MSOLQXFVSA-N 2 2 344.503 2.283 10 0 EEAELP CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647017 1286320609 /nfs/dbraw/zinc/32/06/09/1286320609.db2.gz CGOYAJPHVVWHFY-MSOLQXFVSA-N 2 2 344.503 2.283 10 0 EEAELP CC[NH+]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647017 1286320617 /nfs/dbraw/zinc/32/06/17/1286320617.db2.gz CGOYAJPHVVWHFY-MSOLQXFVSA-N 2 2 344.503 2.283 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001489133267 1290391765 /nfs/dbraw/zinc/39/17/65/1290391765.db2.gz RTNBVSQNGDCIJG-DLBZAZTESA-N 2 2 348.491 2.363 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1coc(C2CC2)n1 ZINC001489133267 1290391771 /nfs/dbraw/zinc/39/17/71/1290391771.db2.gz RTNBVSQNGDCIJG-DLBZAZTESA-N 2 2 348.491 2.363 10 0 EEAELP Cc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001490216379 1291033229 /nfs/dbraw/zinc/03/32/29/1291033229.db2.gz COPJVYDZGHLENC-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001490216379 1291033235 /nfs/dbraw/zinc/03/32/35/1291033235.db2.gz COPJVYDZGHLENC-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1ccncc1Cl ZINC001490338376 1291238772 /nfs/dbraw/zinc/23/87/72/1291238772.db2.gz YRNXKMFKDPAUCM-UHFFFAOYSA-N 2 2 349.866 2.268 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1ccncc1Cl ZINC001490338376 1291238783 /nfs/dbraw/zinc/23/87/83/1291238783.db2.gz YRNXKMFKDPAUCM-UHFFFAOYSA-N 2 2 349.866 2.268 10 0 EEAELP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001490761545 1291693131 /nfs/dbraw/zinc/69/31/31/1291693131.db2.gz BZNBBMZRAIFYSN-IRXDYDNUSA-N 2 2 332.492 2.416 10 0 EEAELP CCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001490761545 1291693142 /nfs/dbraw/zinc/69/31/42/1291693142.db2.gz BZNBBMZRAIFYSN-IRXDYDNUSA-N 2 2 332.492 2.416 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C/c1ccnc2ccccc12 ZINC000855415335 1293209398 /nfs/dbraw/zinc/20/93/98/1293209398.db2.gz VLFGJRJSJKFVEE-MDZDMXLPSA-N 2 2 340.471 2.248 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C/c1ccnc2ccccc12 ZINC000855415335 1293209401 /nfs/dbraw/zinc/20/94/01/1293209401.db2.gz VLFGJRJSJKFVEE-MDZDMXLPSA-N 2 2 340.471 2.248 10 0 EEAELP Cc1nc(Cl)c(Cl)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855415555 1293209754 /nfs/dbraw/zinc/20/97/54/1293209754.db2.gz ZGVBZOVMRHADJC-UHFFFAOYSA-N 2 2 347.290 2.310 10 0 EEAELP Cc1nc(Cl)c(Cl)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855415555 1293209764 /nfs/dbraw/zinc/20/97/64/1293209764.db2.gz ZGVBZOVMRHADJC-UHFFFAOYSA-N 2 2 347.290 2.310 10 0 EEAELP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856593051 1293576014 /nfs/dbraw/zinc/57/60/14/1293576014.db2.gz YZUAKNJOYUOUNQ-QZTJIDSGSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856593051 1293576019 /nfs/dbraw/zinc/57/60/19/1293576019.db2.gz YZUAKNJOYUOUNQ-QZTJIDSGSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@@H](CC)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856593051 1293576024 /nfs/dbraw/zinc/57/60/24/1293576024.db2.gz YZUAKNJOYUOUNQ-QZTJIDSGSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@@H](CC)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856593051 1293576026 /nfs/dbraw/zinc/57/60/26/1293576026.db2.gz YZUAKNJOYUOUNQ-QZTJIDSGSA-N 2 2 349.475 2.328 10 0 EEAELP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1Cl ZINC000858433536 1294116923 /nfs/dbraw/zinc/11/69/23/1294116923.db2.gz ZYCHRYFZIBBLDI-LLVKDONJSA-N 2 2 325.840 2.484 10 0 EEAELP COC(=O)c1nc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)ccc1Cl ZINC000858433536 1294116927 /nfs/dbraw/zinc/11/69/27/1294116927.db2.gz ZYCHRYFZIBBLDI-LLVKDONJSA-N 2 2 325.840 2.484 10 0 EEAELP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000796779560 1304579354 /nfs/dbraw/zinc/57/93/54/1304579354.db2.gz OZBKTMWJECABJZ-WDSOQIARSA-N 2 2 340.471 2.260 10 0 EEAELP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000796779560 1304579355 /nfs/dbraw/zinc/57/93/55/1304579355.db2.gz OZBKTMWJECABJZ-WDSOQIARSA-N 2 2 340.471 2.260 10 0 EEAELP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001278427229 1310222113 /nfs/dbraw/zinc/22/21/13/1310222113.db2.gz PWEMVYACLYCZRJ-WMLDXEAASA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001278427229 1310222118 /nfs/dbraw/zinc/22/21/18/1310222118.db2.gz PWEMVYACLYCZRJ-WMLDXEAASA-N 2 2 338.883 2.156 10 0 EEAELP CCC/C=C\CC[NH+]1CC(N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001671145372 1320760861 /nfs/dbraw/zinc/76/08/61/1320760861.db2.gz WPXJESJMBNJWGS-OGZRUICASA-N 2 2 330.476 2.335 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)C[N@H+](Cc2ccccc2)C1 ZINC000843420134 1315912130 /nfs/dbraw/zinc/91/21/30/1315912130.db2.gz MYQIIEMTSQYDQJ-FUHWJXTLSA-N 2 2 327.476 2.248 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCc2ncn(C)n2)C[N@@H+](Cc2ccccc2)C1 ZINC000843420134 1315912132 /nfs/dbraw/zinc/91/21/32/1315912132.db2.gz MYQIIEMTSQYDQJ-FUHWJXTLSA-N 2 2 327.476 2.248 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@@](C)(C[NH2+]CCCF)C3)[nH+]c12 ZINC001278561739 1317249851 /nfs/dbraw/zinc/24/98/51/1317249851.db2.gz CZORAOVHITZEKW-IBGZPJMESA-N 2 2 346.450 2.373 10 0 EEAELP CCOCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001278681264 1317686878 /nfs/dbraw/zinc/68/68/78/1317686878.db2.gz BUORSNQABNSYFU-FUHWJXTLSA-N 2 2 336.480 2.089 10 0 EEAELP CCOCC[N@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001278681264 1317686882 /nfs/dbraw/zinc/68/68/82/1317686882.db2.gz BUORSNQABNSYFU-FUHWJXTLSA-N 2 2 336.480 2.089 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)OCCC[NH+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529788 1322488507 /nfs/dbraw/zinc/48/85/07/1322488507.db2.gz QHTRBDFZBTXOMD-AEFFLSMTSA-N 2 2 334.460 2.333 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)OCCC[NH+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529788 1322488510 /nfs/dbraw/zinc/48/85/10/1322488510.db2.gz QHTRBDFZBTXOMD-AEFFLSMTSA-N 2 2 334.460 2.333 10 0 EEAELP CC[NH+](C)[C@H](C(=O)OCCC[N@@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529788 1322488513 /nfs/dbraw/zinc/48/85/13/1322488513.db2.gz QHTRBDFZBTXOMD-AEFFLSMTSA-N 2 2 334.460 2.333 10 0 EEAELP CC[NH+](C)[C@H](C(=O)OCCC[N@H+]1CCO[C@H](C)C1)c1ccccc1 ZINC001263529788 1322488516 /nfs/dbraw/zinc/48/85/16/1322488516.db2.gz QHTRBDFZBTXOMD-AEFFLSMTSA-N 2 2 334.460 2.333 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001264433792 1322700716 /nfs/dbraw/zinc/70/07/16/1322700716.db2.gz OWJXEEHYFQEYQJ-KONPQCLYSA-N 2 2 348.491 2.032 10 0 EEAELP CC(C)c1ocnc1C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001264995194 1322842919 /nfs/dbraw/zinc/84/29/19/1322842919.db2.gz XKSPWIVPALFTTK-UHFFFAOYSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1ocnc1C[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001264995194 1322842923 /nfs/dbraw/zinc/84/29/23/1322842923.db2.gz XKSPWIVPALFTTK-UHFFFAOYSA-N 2 2 336.480 2.220 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001265551725 1323216821 /nfs/dbraw/zinc/21/68/21/1323216821.db2.gz JPPQMYLJBCHLRZ-UPJWGTAASA-N 2 2 345.274 2.094 10 0 EEAELP Cc1nsc(C)c1C[N@@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001265965048 1323526259 /nfs/dbraw/zinc/52/62/59/1323526259.db2.gz RDTXXCGOIALBAQ-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP Cc1nsc(C)c1C[N@H+](C)CCCNC(=O)CCc1c[nH+]cn1C ZINC001265965048 1323526264 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GBUPLVSBJWAVLC-GPMSIDNRSA-N 2 2 348.491 2.037 10 0 EEAELP CC(C)COCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001281430453 1325084612 /nfs/dbraw/zinc/08/46/12/1325084612.db2.gz ONASFWRZZGRWAY-HOTGVXAUSA-N 2 2 344.459 2.057 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCc1ccccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284630228 1326639130 /nfs/dbraw/zinc/63/91/30/1326639130.db2.gz IBPOXBJYLWBMMT-KRWDZBQOSA-N 2 2 346.450 2.455 10 0 EEAELP Cc1cccc(CCC[NH2+]C2CC(N(C)C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001284813276 1326725977 /nfs/dbraw/zinc/72/59/77/1326725977.db2.gz YRPWFEZYRVUSDO-UHFFFAOYSA-N 2 2 340.471 2.472 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nccs1)c1ccccc1 ZINC001491641538 1330194477 /nfs/dbraw/zinc/19/44/77/1330194477.db2.gz SQRVINCAFLNQOC-PBHICJAKSA-N 2 2 346.500 2.430 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1nccs1)c1ccccc1 ZINC001491641538 1330194479 /nfs/dbraw/zinc/19/44/79/1330194479.db2.gz SQRVINCAFLNQOC-PBHICJAKSA-N 2 2 346.500 2.430 10 0 EEAELP 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CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1nc2ccccc2o1 ZINC001437471168 1089805560 /nfs/dbraw/zinc/80/55/60/1089805560.db2.gz LZHJDANNCFHQKT-MRXNPFEDSA-N 2 2 344.459 2.250 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)Cc1nc2ccccc2o1 ZINC001437471168 1089805578 /nfs/dbraw/zinc/80/55/78/1089805578.db2.gz LZHJDANNCFHQKT-MRXNPFEDSA-N 2 2 344.459 2.250 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC001437471168 1089805591 /nfs/dbraw/zinc/80/55/91/1089805591.db2.gz LZHJDANNCFHQKT-MRXNPFEDSA-N 2 2 344.459 2.250 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001437471168 1089805601 /nfs/dbraw/zinc/80/56/01/1089805601.db2.gz LZHJDANNCFHQKT-MRXNPFEDSA-N 2 2 344.459 2.250 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001437729781 1090286061 /nfs/dbraw/zinc/28/60/61/1090286061.db2.gz MWHPGXRFJZMKAY-CZUORRHYSA-N 2 2 345.447 2.077 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001437729781 1090286069 /nfs/dbraw/zinc/28/60/69/1090286069.db2.gz MWHPGXRFJZMKAY-CZUORRHYSA-N 2 2 345.447 2.077 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCc1ccccc1F ZINC001438311152 1090789281 /nfs/dbraw/zinc/78/92/81/1090789281.db2.gz ODAHZRYEOKRJOX-BZUAXINKSA-N 2 2 344.434 2.379 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCc1ccccc1F ZINC001438311152 1090789286 /nfs/dbraw/zinc/78/92/86/1090789286.db2.gz ODAHZRYEOKRJOX-BZUAXINKSA-N 2 2 344.434 2.379 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]CC2(NC(=O)CCc3c[nH]c[nH+]3)CCCC2)CCO1 ZINC001438387406 1090872224 /nfs/dbraw/zinc/87/22/24/1090872224.db2.gz RYQLMNPGRCMPLT-CVEARBPZSA-N 2 2 348.491 2.176 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]CC2(NC(=O)CCc3c[nH+]c[nH]3)CCCC2)CCO1 ZINC001438387406 1090872231 /nfs/dbraw/zinc/87/22/31/1090872231.db2.gz RYQLMNPGRCMPLT-CVEARBPZSA-N 2 2 348.491 2.176 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CCCC1 ZINC001438809386 1091422653 /nfs/dbraw/zinc/42/26/53/1091422653.db2.gz SYEQLGOWCJPVJP-AEFFLSMTSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1nc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C(C)C)co1 ZINC001438834402 1091456857 /nfs/dbraw/zinc/45/68/57/1091456857.db2.gz LFLAHHSAYUCVJZ-INIZCTEOSA-N 2 2 347.463 2.234 10 0 EEAELP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1cc(C2CC2)no1 ZINC001445717383 1091531051 /nfs/dbraw/zinc/53/10/51/1091531051.db2.gz LFAQYRGQZIQVKT-KDOFPFPSSA-N 2 2 348.491 2.361 10 0 EEAELP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001445717383 1091531056 /nfs/dbraw/zinc/53/10/56/1091531056.db2.gz LFAQYRGQZIQVKT-KDOFPFPSSA-N 2 2 348.491 2.361 10 0 EEAELP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C2CC2)no1 ZINC001445717383 1091531063 /nfs/dbraw/zinc/53/10/63/1091531063.db2.gz LFAQYRGQZIQVKT-KDOFPFPSSA-N 2 2 348.491 2.361 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C2CC2)no1 ZINC001445717383 1091531064 /nfs/dbraw/zinc/53/10/64/1091531064.db2.gz LFAQYRGQZIQVKT-KDOFPFPSSA-N 2 2 348.491 2.361 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001439132353 1091776977 /nfs/dbraw/zinc/77/69/77/1091776977.db2.gz XHMUUQHTYCLVLQ-OCCSQVGLSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@H](C[N@H+](C)[C@@H]1CCc2c1cc(F)cc2F)NC(=O)Cn1cc[nH+]c1 ZINC001445863291 1091783471 /nfs/dbraw/zinc/78/34/71/1091783471.db2.gz CMHRYWAZGMYRNP-SJKOYZFVSA-N 2 2 348.397 2.285 10 0 EEAELP C[C@H](C[N@@H+](C)[C@@H]1CCc2c1cc(F)cc2F)NC(=O)Cn1cc[nH+]c1 ZINC001445863291 1091783476 /nfs/dbraw/zinc/78/34/76/1091783476.db2.gz CMHRYWAZGMYRNP-SJKOYZFVSA-N 2 2 348.397 2.285 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c(C)o1 ZINC001439182252 1091829925 /nfs/dbraw/zinc/82/99/25/1091829925.db2.gz PHHOGXKBKQWUNQ-FZKQIMNGSA-N 2 2 344.459 2.189 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439381851 1092125578 /nfs/dbraw/zinc/12/55/78/1092125578.db2.gz MBFZJDCQSNTMSI-UONOGXRCSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439381851 1092125580 /nfs/dbraw/zinc/12/55/80/1092125580.db2.gz MBFZJDCQSNTMSI-UONOGXRCSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)c1ccccc1F ZINC001446266695 1092411914 /nfs/dbraw/zinc/41/19/14/1092411914.db2.gz LXHHHAZWHYQEJQ-CYBMUJFWSA-N 2 2 330.407 2.101 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439546271 1092415253 /nfs/dbraw/zinc/41/52/53/1092415253.db2.gz KFWNGXCRVVYCAR-KDOFPFPSSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439546271 1092415262 /nfs/dbraw/zinc/41/52/62/1092415262.db2.gz KFWNGXCRVVYCAR-KDOFPFPSSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439546271 1092415267 /nfs/dbraw/zinc/41/52/67/1092415267.db2.gz KFWNGXCRVVYCAR-KDOFPFPSSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439546271 1092415274 /nfs/dbraw/zinc/41/52/74/1092415274.db2.gz KFWNGXCRVVYCAR-KDOFPFPSSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001439575106 1092465466 /nfs/dbraw/zinc/46/54/66/1092465466.db2.gz VPCYELSNVJTBGB-OAHLLOKOSA-N 2 2 336.505 2.018 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)s1 ZINC001439575106 1092465470 /nfs/dbraw/zinc/46/54/70/1092465470.db2.gz VPCYELSNVJTBGB-OAHLLOKOSA-N 2 2 336.505 2.018 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2nc3ccccc3o2)CC1 ZINC001439620430 1092531064 /nfs/dbraw/zinc/53/10/64/1092531064.db2.gz JCKSHANZMUGGTM-HNNXBMFYSA-N 2 2 342.443 2.051 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2nc3ccccc3o2)CC1 ZINC001439620430 1092531071 /nfs/dbraw/zinc/53/10/71/1092531071.db2.gz JCKSHANZMUGGTM-HNNXBMFYSA-N 2 2 342.443 2.051 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1(C)CC[NH+](Cc2nccs2)CC1 ZINC001439915951 1092990917 /nfs/dbraw/zinc/99/09/17/1092990917.db2.gz OGXPKJDMNWNBFB-UHFFFAOYSA-N 2 2 347.488 2.067 10 0 EEAELP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001440127692 1093190076 /nfs/dbraw/zinc/19/00/76/1093190076.db2.gz JJLLIWPBBVWUBP-WKILWMFISA-N 2 2 332.492 2.294 10 0 EEAELP Cc1cccnc1C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001448379830 1093356855 /nfs/dbraw/zinc/35/68/55/1093356855.db2.gz GADGYLAWOXWXDH-QGZVFWFLSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1cccnc1C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001448379830 1093356865 /nfs/dbraw/zinc/35/68/65/1093356865.db2.gz GADGYLAWOXWXDH-QGZVFWFLSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)s1 ZINC001440361409 1093524779 /nfs/dbraw/zinc/52/47/79/1093524779.db2.gz CLGXRCYDURNWCS-QEJZJMRPSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@H+](C)CC[C@H]1CCCCO1 ZINC001440481833 1093713998 /nfs/dbraw/zinc/71/39/98/1093713998.db2.gz WUHQNRDZDTUMGG-MRXNPFEDSA-N 2 2 336.480 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[N@@H+](C)CC[C@H]1CCCCO1 ZINC001440481833 1093714003 /nfs/dbraw/zinc/71/40/03/1093714003.db2.gz WUHQNRDZDTUMGG-MRXNPFEDSA-N 2 2 336.480 2.000 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)[C@@H]1C)[NH+](C)C ZINC001440488894 1093724992 /nfs/dbraw/zinc/72/49/92/1093724992.db2.gz JWHRSVQJYOUTEL-DQYPLSBCSA-N 2 2 339.430 2.384 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)[C@@H]1C)[NH+](C)C ZINC001440488894 1093724993 /nfs/dbraw/zinc/72/49/93/1093724993.db2.gz JWHRSVQJYOUTEL-DQYPLSBCSA-N 2 2 339.430 2.384 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001448708845 1093776205 /nfs/dbraw/zinc/77/62/05/1093776205.db2.gz GNNMDBRZAHZINR-UONOGXRCSA-N 2 2 342.434 2.225 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]C/C(Cl)=C/Cl)C(C)(C)C1 ZINC001449095443 1094105643 /nfs/dbraw/zinc/10/56/43/1094105643.db2.gz YMMFMTCIUDAXPT-ZRVMKQEGSA-N 2 2 345.274 2.108 10 0 EEAELP CCc1onc(C)c1C[NH2+]CC(C)(C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001440886318 1094144669 /nfs/dbraw/zinc/14/46/69/1094144669.db2.gz DYAMVFWNQLKROU-UHFFFAOYSA-N 2 2 347.463 2.085 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1cncs1)C(=O)C1CC[NH+](C)CC1 ZINC001449270503 1094219460 /nfs/dbraw/zinc/21/94/60/1094219460.db2.gz ZSPZVMQNDQWTMS-UHFFFAOYSA-N 2 2 338.521 2.154 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1cncs1)C(=O)C1CC[NH+](C)CC1 ZINC001449270503 1094219465 /nfs/dbraw/zinc/21/94/65/1094219465.db2.gz ZSPZVMQNDQWTMS-UHFFFAOYSA-N 2 2 338.521 2.154 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C2CC2)sn1 ZINC001441257170 1094656195 /nfs/dbraw/zinc/65/61/95/1094656195.db2.gz JVDKUPYDXOHLJO-ZBEGNZNMSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C2CC2)sn1 ZINC001441257170 1094656199 /nfs/dbraw/zinc/65/61/99/1094656199.db2.gz JVDKUPYDXOHLJO-ZBEGNZNMSA-N 2 2 347.488 2.038 10 0 EEAELP CC[C@H](C[NH2+]C1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1)OC ZINC001441738916 1095727448 /nfs/dbraw/zinc/72/74/48/1095727448.db2.gz SDPWDINBPAJVFP-OFLPRAFFSA-N 2 2 349.475 2.075 10 0 EEAELP O=C(NCC[N@H+](Cc1ccsc1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001443019132 1097429089 /nfs/dbraw/zinc/42/90/89/1097429089.db2.gz SNWFZZPMLMCCEI-HNNXBMFYSA-N 2 2 344.484 2.288 10 0 EEAELP O=C(NCC[N@@H+](Cc1ccsc1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001443019132 1097429094 /nfs/dbraw/zinc/42/90/94/1097429094.db2.gz SNWFZZPMLMCCEI-HNNXBMFYSA-N 2 2 344.484 2.288 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001443186171 1097629220 /nfs/dbraw/zinc/62/92/20/1097629220.db2.gz JUYKZRLKJQSXAP-MRXNPFEDSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001443186171 1097629224 /nfs/dbraw/zinc/62/92/24/1097629224.db2.gz JUYKZRLKJQSXAP-MRXNPFEDSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2nocc2C)C1 ZINC001443186171 1097629228 /nfs/dbraw/zinc/62/92/28/1097629228.db2.gz JUYKZRLKJQSXAP-MRXNPFEDSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2nocc2C)C1 ZINC001443186171 1097629229 /nfs/dbraw/zinc/62/92/29/1097629229.db2.gz JUYKZRLKJQSXAP-MRXNPFEDSA-N 2 2 336.480 2.136 10 0 EEAELP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1)[NH+](C)C ZINC001443876125 1098401550 /nfs/dbraw/zinc/40/15/50/1098401550.db2.gz BLZSUBQMLGCGRX-WBVHZDCISA-N 2 2 336.480 2.054 10 0 EEAELP CC[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1)[NH+](C)C ZINC001443876125 1098401553 /nfs/dbraw/zinc/40/15/53/1098401553.db2.gz BLZSUBQMLGCGRX-WBVHZDCISA-N 2 2 336.480 2.054 10 0 EEAELP C[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@H]1CC(C)(C)CO1 ZINC001479784685 1098979025 /nfs/dbraw/zinc/97/90/25/1098979025.db2.gz TVFHNFZUZYXSCQ-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@H]1CC(C)(C)CO1 ZINC001479784685 1098979036 /nfs/dbraw/zinc/97/90/36/1098979036.db2.gz TVFHNFZUZYXSCQ-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]([NH2+][C@H]1CCc2ccccc21)C1CC1 ZINC001480063484 1099593130 /nfs/dbraw/zinc/59/31/30/1099593130.db2.gz QBRWCCVAYIBIEI-HKUYNNGSSA-N 2 2 338.455 2.433 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1)c1ccccc1F ZINC001480207969 1099812665 /nfs/dbraw/zinc/81/26/65/1099812665.db2.gz QASCIBXXOBILNW-AEGPPILISA-N 2 2 330.407 2.479 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)c1ccccc1F ZINC001480207969 1099812670 /nfs/dbraw/zinc/81/26/70/1099812670.db2.gz QASCIBXXOBILNW-AEGPPILISA-N 2 2 330.407 2.479 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001480286066 1099993256 /nfs/dbraw/zinc/99/32/56/1099993256.db2.gz FOKNZCHCSHWDLE-DLBZAZTESA-N 2 2 332.492 2.320 10 0 EEAELP Cc1cc(C[N@@H+](C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)sn1 ZINC001445074662 1100283039 /nfs/dbraw/zinc/28/30/39/1100283039.db2.gz POUAQBCCUPDJMA-GJZGRUSLSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cc(C[N@H+](C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)sn1 ZINC001445074662 1100283044 /nfs/dbraw/zinc/28/30/44/1100283044.db2.gz POUAQBCCUPDJMA-GJZGRUSLSA-N 2 2 338.521 2.215 10 0 EEAELP CC(C)C[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001496280536 1100862512 /nfs/dbraw/zinc/86/25/12/1100862512.db2.gz RRCBUENEXUCPOY-SJORKVTESA-N 2 2 332.492 2.366 10 0 EEAELP CC[C@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001495371345 1101086749 /nfs/dbraw/zinc/08/67/49/1101086749.db2.gz KHRKGEXXAZMHHP-HOTGVXAUSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@H]1C[C@H](C[N@H+](C)CCN(C)C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001496743623 1101384562 /nfs/dbraw/zinc/38/45/62/1101384562.db2.gz BVNMBSRZECHRNZ-JKSUJKDBSA-N 2 2 344.459 2.153 10 0 EEAELP C[C@H]1C[C@H](C[N@@H+](C)CCN(C)C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001496743623 1101384574 /nfs/dbraw/zinc/38/45/74/1101384574.db2.gz BVNMBSRZECHRNZ-JKSUJKDBSA-N 2 2 344.459 2.153 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)o1 ZINC001496796297 1101485466 /nfs/dbraw/zinc/48/54/66/1101485466.db2.gz DNKFQRFFXDKDCM-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)o1 ZINC001496796297 1101485469 /nfs/dbraw/zinc/48/54/69/1101485469.db2.gz DNKFQRFFXDKDCM-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001496796297 1101485472 /nfs/dbraw/zinc/48/54/72/1101485472.db2.gz DNKFQRFFXDKDCM-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C)c(C[NH+](C)CCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)o1 ZINC001496796297 1101485477 /nfs/dbraw/zinc/48/54/77/1101485477.db2.gz DNKFQRFFXDKDCM-IAGOWNOFSA-N 2 2 348.491 2.199 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCCCCF)C1 ZINC001496860212 1101622264 /nfs/dbraw/zinc/62/22/64/1101622264.db2.gz PQXWTAUYKNTZBN-RDJZCZTQSA-N 2 2 336.455 2.405 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001496860212 1101622272 /nfs/dbraw/zinc/62/22/72/1101622272.db2.gz PQXWTAUYKNTZBN-RDJZCZTQSA-N 2 2 336.455 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@H+]2CCCCCF)C1 ZINC001496860212 1101622278 /nfs/dbraw/zinc/62/22/78/1101622278.db2.gz PQXWTAUYKNTZBN-RDJZCZTQSA-N 2 2 336.455 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCCCF)C1 ZINC001496860212 1101622286 /nfs/dbraw/zinc/62/22/86/1101622286.db2.gz PQXWTAUYKNTZBN-RDJZCZTQSA-N 2 2 336.455 2.405 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001447042816 1101837193 /nfs/dbraw/zinc/83/71/93/1101837193.db2.gz LNTTVVYLZBAJDU-OKZBNKHCSA-N 2 2 332.492 2.488 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001447042816 1101837209 /nfs/dbraw/zinc/83/72/09/1101837209.db2.gz LNTTVVYLZBAJDU-OKZBNKHCSA-N 2 2 332.492 2.488 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CCc2cnn(C)c2)c(C)[nH+]1 ZINC001496114844 1102090064 /nfs/dbraw/zinc/09/00/64/1102090064.db2.gz AQMKTCAMWRBEPT-OAHLLOKOSA-N 2 2 343.475 2.033 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCN(C)C(=O)Cc2[nH]c[nH+]c2C)sn1 ZINC001447377050 1102559768 /nfs/dbraw/zinc/55/97/68/1102559768.db2.gz LSEOOJWTIYAEKU-UHFFFAOYSA-N 2 2 335.477 2.006 10 0 EEAELP Cc1cc(C[N@H+](C)CCCN(C)C(=O)Cc2[nH]c[nH+]c2C)sn1 ZINC001447377050 1102559777 /nfs/dbraw/zinc/55/97/77/1102559777.db2.gz LSEOOJWTIYAEKU-UHFFFAOYSA-N 2 2 335.477 2.006 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001493951808 1103181777 /nfs/dbraw/zinc/18/17/77/1103181777.db2.gz OQLSAZZYCNFSBR-BRWVUGGUSA-N 2 2 348.491 2.136 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001493951808 1103181789 /nfs/dbraw/zinc/18/17/89/1103181789.db2.gz OQLSAZZYCNFSBR-BRWVUGGUSA-N 2 2 348.491 2.136 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001493951808 1103181806 /nfs/dbraw/zinc/18/18/06/1103181806.db2.gz OQLSAZZYCNFSBR-BRWVUGGUSA-N 2 2 348.491 2.136 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ncc(C)o2)C1 ZINC001493951808 1103181814 /nfs/dbraw/zinc/18/18/14/1103181814.db2.gz OQLSAZZYCNFSBR-BRWVUGGUSA-N 2 2 348.491 2.136 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2[nH+]ccn2C)c1 ZINC001447899408 1103549629 /nfs/dbraw/zinc/54/96/29/1103549629.db2.gz XTXKOYFGFJXEHY-LSDHHAIUSA-N 2 2 346.450 2.483 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001494576156 1104165082 /nfs/dbraw/zinc/16/50/82/1104165082.db2.gz JPHZODKANCNZGK-CQSZACIVSA-N 2 2 340.418 2.147 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001480735150 1107007502 /nfs/dbraw/zinc/00/75/02/1107007502.db2.gz QSCLHKUCUCWDAH-OAHLLOKOSA-N 2 2 338.521 2.134 10 0 EEAELP Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c(C)s1 ZINC001480735150 1107007510 /nfs/dbraw/zinc/00/75/10/1107007510.db2.gz QSCLHKUCUCWDAH-OAHLLOKOSA-N 2 2 338.521 2.134 10 0 EEAELP C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323656 1107292258 /nfs/dbraw/zinc/29/22/58/1107292258.db2.gz PHTVFDAFYCXKME-HUUCEWRRSA-N 2 2 346.500 2.186 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323656 1107292269 /nfs/dbraw/zinc/29/22/69/1107292269.db2.gz PHTVFDAFYCXKME-HUUCEWRRSA-N 2 2 346.500 2.186 10 0 EEAELP Cc1nc(C(C)C)ccc1C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001498466880 1107585253 /nfs/dbraw/zinc/58/52/53/1107585253.db2.gz XFVYBLRZNFYXSL-HNNXBMFYSA-N 2 2 343.475 2.347 10 0 EEAELP Cc1nc(C(C)C)ccc1C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001498466880 1107585261 /nfs/dbraw/zinc/58/52/61/1107585261.db2.gz XFVYBLRZNFYXSL-HNNXBMFYSA-N 2 2 343.475 2.347 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC[N@@H+](Cc1cccc(F)c1F)C1CC1 ZINC001493443567 1108166055 /nfs/dbraw/zinc/16/60/55/1108166055.db2.gz GDLDCVPEWFYQLQ-UHFFFAOYSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC[N@H+](Cc1cccc(F)c1F)C1CC1 ZINC001493443567 1108166061 /nfs/dbraw/zinc/16/60/61/1108166061.db2.gz GDLDCVPEWFYQLQ-UHFFFAOYSA-N 2 2 337.414 2.141 10 0 EEAELP CC(C)c1[nH]c(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)c[nH+]1 ZINC001456347312 1109151078 /nfs/dbraw/zinc/15/10/78/1109151078.db2.gz WSYSBZITZXXDTF-UHFFFAOYSA-N 2 2 334.464 2.184 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+](C)C1(Cc2ccccc2)CCCC1 ZINC001460735987 1110322312 /nfs/dbraw/zinc/32/23/12/1110322312.db2.gz HYFVYVQYEPRRHD-LJQANCHMSA-N 2 2 334.504 2.413 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+](C)C1(Cc2ccccc2)CCCC1 ZINC001460735987 1110322314 /nfs/dbraw/zinc/32/23/14/1110322314.db2.gz HYFVYVQYEPRRHD-LJQANCHMSA-N 2 2 334.504 2.413 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+](C)C1(Cc2ccccc2)CCCC1 ZINC001460735987 1110322316 /nfs/dbraw/zinc/32/23/16/1110322316.db2.gz HYFVYVQYEPRRHD-LJQANCHMSA-N 2 2 334.504 2.413 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+](C)C1(Cc2ccccc2)CCCC1 ZINC001460735987 1110322317 /nfs/dbraw/zinc/32/23/17/1110322317.db2.gz HYFVYVQYEPRRHD-LJQANCHMSA-N 2 2 334.504 2.413 10 0 EEAELP CC[N@@H+]1CC[C@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001463660327 1110378475 /nfs/dbraw/zinc/37/84/75/1110378475.db2.gz OLZVGBMOIQKERQ-RBUKOAKNSA-N 2 2 345.487 2.433 10 0 EEAELP CC[N@H+]1CC[C@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001463660327 1110378476 /nfs/dbraw/zinc/37/84/76/1110378476.db2.gz OLZVGBMOIQKERQ-RBUKOAKNSA-N 2 2 345.487 2.433 10 0 EEAELP c1ccc(NCCCC[NH2+]Cc2cnc(N3CCCC3)nc2)[nH+]c1 ZINC001473978216 1110587420 /nfs/dbraw/zinc/58/74/20/1110587420.db2.gz BJKNCVNORGXZNL-UHFFFAOYSA-N 2 2 326.448 2.454 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001479370657 1110687877 /nfs/dbraw/zinc/68/78/77/1110687877.db2.gz QJEASRUTXYGLGD-ATNYBXOESA-N 2 2 347.507 2.321 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001479370657 1110687878 /nfs/dbraw/zinc/68/78/78/1110687878.db2.gz QJEASRUTXYGLGD-ATNYBXOESA-N 2 2 347.507 2.321 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1nc(C)oc1C ZINC001500151646 1112639696 /nfs/dbraw/zinc/63/96/96/1112639696.db2.gz JTNGXAAPAKITNT-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1nc(C)oc1C ZINC001500151646 1112639698 /nfs/dbraw/zinc/63/96/98/1112639698.db2.gz JTNGXAAPAKITNT-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C)oc1C ZINC001500151646 1112639699 /nfs/dbraw/zinc/63/96/99/1112639699.db2.gz JTNGXAAPAKITNT-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP CCC[NH+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C)oc1C ZINC001500151646 1112639701 /nfs/dbraw/zinc/63/97/01/1112639701.db2.gz JTNGXAAPAKITNT-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001501574143 1113387870 /nfs/dbraw/zinc/38/78/70/1113387870.db2.gz HSSCWHVDWUJUIX-LBPRGKRZSA-N 2 2 332.370 2.123 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001501574143 1113387874 /nfs/dbraw/zinc/38/78/74/1113387874.db2.gz HSSCWHVDWUJUIX-LBPRGKRZSA-N 2 2 332.370 2.123 10 0 EEAELP Cc1ccc(C[NH2+]CC2CC(NC(=O)CCn3cc[nH+]c3)C2)cc1F ZINC001505511008 1114029810 /nfs/dbraw/zinc/02/98/10/1114029810.db2.gz XLIRQMVTQILYKO-UHFFFAOYSA-N 2 2 344.434 2.405 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001505526220 1114035258 /nfs/dbraw/zinc/03/52/58/1114035258.db2.gz PYYHHVBPJDFHLU-UHFFFAOYSA-N 2 2 346.862 2.333 10 0 EEAELP C[C@H]1C[C@H](C[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCCC2)CCO1 ZINC001506523980 1114672799 /nfs/dbraw/zinc/67/27/99/1114672799.db2.gz PRASJLADLGUNJZ-JKSUJKDBSA-N 2 2 348.491 2.176 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCC[N@H+](CCCCCF)C2 ZINC001506864568 1114933002 /nfs/dbraw/zinc/93/30/02/1114933002.db2.gz GITSZBQIVGCHBD-UHFFFAOYSA-N 2 2 336.455 2.325 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCC[N@@H+](CCCCCF)C2 ZINC001506864568 1114933006 /nfs/dbraw/zinc/93/30/06/1114933006.db2.gz GITSZBQIVGCHBD-UHFFFAOYSA-N 2 2 336.455 2.325 10 0 EEAELP CC(C)COCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001506887733 1114951549 /nfs/dbraw/zinc/95/15/49/1114951549.db2.gz OQHCPBJHQRPJFI-KOMQPUFPSA-N 2 2 344.459 2.334 10 0 EEAELP C[C@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506924057 1114977233 /nfs/dbraw/zinc/97/72/33/1114977233.db2.gz SJQUIYFOTHHHPH-IJLUTSLNSA-N 2 2 341.393 2.102 10 0 EEAELP C[C@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506924057 1114977237 /nfs/dbraw/zinc/97/72/37/1114977237.db2.gz SJQUIYFOTHHHPH-IJLUTSLNSA-N 2 2 341.393 2.102 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001507093399 1115104158 /nfs/dbraw/zinc/10/41/58/1115104158.db2.gz VVTFWSOREDFJNK-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP COCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001507315457 1115188064 /nfs/dbraw/zinc/18/80/64/1115188064.db2.gz HGZZQRGRGNYGBP-HOTGVXAUSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CCc1ccccc1 ZINC001568176611 1124340797 /nfs/dbraw/zinc/34/07/97/1124340797.db2.gz IVEFYQCKQZWKHE-DJIMGWMZSA-N 2 2 326.444 2.098 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CCc1ccccc1 ZINC001568176611 1124340803 /nfs/dbraw/zinc/34/08/03/1124340803.db2.gz IVEFYQCKQZWKHE-DJIMGWMZSA-N 2 2 326.444 2.098 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)CC[NH2+]Cc1cccc(F)c1 ZINC001568647053 1124658910 /nfs/dbraw/zinc/65/89/10/1124658910.db2.gz UZZQUHSVMOJFFP-CQSZACIVSA-N 2 2 345.418 2.456 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001568753984 1124769388 /nfs/dbraw/zinc/76/93/88/1124769388.db2.gz RFYKNQVYAKFPIS-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP CN(CCC[NH2+]C[C@H]1CCCCO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569214818 1125171158 /nfs/dbraw/zinc/17/11/58/1125171158.db2.gz SBTPIAODYMFSLA-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)CCc1c[nH+]cn1C ZINC001569261742 1125203927 /nfs/dbraw/zinc/20/39/27/1125203927.db2.gz AZYWISSZFIFQSV-UHFFFAOYSA-N 2 2 332.423 2.130 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001565865991 1125443549 /nfs/dbraw/zinc/44/35/49/1125443549.db2.gz UUTMYPHRQTYCAK-WKILWMFISA-N 2 2 332.492 2.437 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(OC)cc1Br ZINC000050247929 214051743 /nfs/dbraw/zinc/05/17/43/214051743.db2.gz ABTDEZZWEUALGT-SNVBAGLBSA-N 2 2 329.238 2.247 10 0 EEAELP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(OC)cc1Br ZINC000050247929 214051747 /nfs/dbraw/zinc/05/17/47/214051747.db2.gz ABTDEZZWEUALGT-SNVBAGLBSA-N 2 2 329.238 2.247 10 0 EEAELP C[NH2+][C@@H](C)c1cc(Br)ccc1OCC[NH+]1CCOCC1 ZINC000052067076 214115451 /nfs/dbraw/zinc/11/54/51/214115451.db2.gz DFDPXKQSDLMETF-LBPRGKRZSA-N 2 2 343.265 2.441 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000088687416 539370597 /nfs/dbraw/zinc/37/05/97/539370597.db2.gz IMDRBQDPOXORLG-IBGZPJMESA-N 3 2 330.520 2.402 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000088687416 539370600 /nfs/dbraw/zinc/37/06/00/539370600.db2.gz IMDRBQDPOXORLG-IBGZPJMESA-N 3 2 330.520 2.402 10 0 EEAELP C[C@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H](C)[NH+]1CCC[NH+](C)C ZINC000036124986 213071715 /nfs/dbraw/zinc/07/17/15/213071715.db2.gz CUDNRKINWWXVAJ-HOTGVXAUSA-N 2 2 335.467 2.241 10 0 EEAELP CCC[C@@H](C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)[NH+](C)C ZINC000162160481 283474077 /nfs/dbraw/zinc/47/40/77/283474077.db2.gz PGVNZSUFXQZTSM-LSDHHAIUSA-N 2 2 327.419 2.414 10 0 EEAELP CC(C)c1ccc(CCNC(=O)C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422632972 240166313 /nfs/dbraw/zinc/16/63/13/240166313.db2.gz HMSFPYMKBRIVNO-UHFFFAOYSA-N 2 2 329.488 2.297 10 0 EEAELP Brc1ccsc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422945121 240301031 /nfs/dbraw/zinc/30/10/31/240301031.db2.gz MNUZYUWJIPSIMT-YPMHNXCESA-N 2 2 331.279 2.367 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1c[nH+]ccc1N ZINC000423035924 240337300 /nfs/dbraw/zinc/33/73/00/240337300.db2.gz SKGNGRBMJLCLSY-CRAIPNDOSA-N 3 2 340.471 2.302 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1c[nH+]ccc1N ZINC000423035924 240337304 /nfs/dbraw/zinc/33/73/04/240337304.db2.gz SKGNGRBMJLCLSY-CRAIPNDOSA-N 3 2 340.471 2.302 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@H](O)COCC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422971708 240314898 /nfs/dbraw/zinc/31/48/98/240314898.db2.gz JPCQFLUZWWGEGY-WDSOQIARSA-N 2 2 336.476 2.111 10 0 EEAELP CS[C@@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)C[C@@H]1[NH+](C)C ZINC000270662624 256158585 /nfs/dbraw/zinc/15/85/85/256158585.db2.gz PFGRIPIQNGGTFI-DLBZAZTESA-N 2 2 330.501 2.409 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(-c2cnn(C)c2)c1 ZINC000449399167 292105940 /nfs/dbraw/zinc/10/59/40/292105940.db2.gz YDQIUTZQLCECCS-LJQANCHMSA-N 2 2 342.487 2.332 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(-c2cnn(C)c2)c1 ZINC000449399167 292105941 /nfs/dbraw/zinc/10/59/41/292105941.db2.gz YDQIUTZQLCECCS-LJQANCHMSA-N 2 2 342.487 2.332 10 0 EEAELP COCc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1 ZINC000093562744 292223319 /nfs/dbraw/zinc/22/33/19/292223319.db2.gz XFMACIRMNCJLKQ-UHFFFAOYSA-N 2 2 341.459 2.011 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262596939 152295817 /nfs/dbraw/zinc/29/58/17/152295817.db2.gz XDQSVGYMSQPWFK-KKUMJFAQSA-N 2 2 327.831 2.468 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262596939 152295819 /nfs/dbraw/zinc/29/58/19/152295819.db2.gz XDQSVGYMSQPWFK-KKUMJFAQSA-N 2 2 327.831 2.468 10 0 EEAELP CCn1cc[nH+]c1CN(C(=O)[C@@H]1CC1(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262880141 152332129 /nfs/dbraw/zinc/33/21/29/152332129.db2.gz FHUUFGKTLMIYQR-LSDHHAIUSA-N 2 2 330.476 2.420 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262954678 152344474 /nfs/dbraw/zinc/34/44/74/152344474.db2.gz KAVUPBYALPIKMQ-NHYWBVRUSA-N 2 2 334.370 2.355 10 0 EEAELP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000105140610 159297170 /nfs/dbraw/zinc/29/71/70/159297170.db2.gz OCRCCHMQMRWIHL-GOSISDBHSA-N 2 2 341.459 2.167 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000106122594 159312781 /nfs/dbraw/zinc/31/27/81/159312781.db2.gz YCOIOPMGBOMTOS-HXUWFJFHSA-N 2 2 331.504 2.222 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000106122594 159312783 /nfs/dbraw/zinc/31/27/83/159312783.db2.gz YCOIOPMGBOMTOS-HXUWFJFHSA-N 2 2 331.504 2.222 10 0 EEAELP C[C@@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000184666915 160014014 /nfs/dbraw/zinc/01/40/14/160014014.db2.gz WSVIYZDNKNGGGL-ZACQAIPSSA-N 2 2 330.476 2.382 10 0 EEAELP CC[C@@H](C)[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000245855568 160254463 /nfs/dbraw/zinc/25/44/63/160254463.db2.gz CGVGSUHLIVUAHP-WXCOAYGQSA-N 2 2 336.524 2.373 10 0 EEAELP CC[C@@H](C)[C@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000245855568 160254464 /nfs/dbraw/zinc/25/44/64/160254464.db2.gz CGVGSUHLIVUAHP-WXCOAYGQSA-N 2 2 336.524 2.373 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247142329 160312351 /nfs/dbraw/zinc/31/23/51/160312351.db2.gz ZTLSMMCNHISFOF-DOTOQJQBSA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247142329 160312353 /nfs/dbraw/zinc/31/23/53/160312353.db2.gz ZTLSMMCNHISFOF-DOTOQJQBSA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247142329 160312355 /nfs/dbraw/zinc/31/23/55/160312355.db2.gz ZTLSMMCNHISFOF-DOTOQJQBSA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247142329 160312356 /nfs/dbraw/zinc/31/23/56/160312356.db2.gz ZTLSMMCNHISFOF-DOTOQJQBSA-N 2 2 333.476 2.116 10 0 EEAELP CC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[C@@H](C)C1 ZINC000341835373 161017222 /nfs/dbraw/zinc/01/72/22/161017222.db2.gz BFJYRALUXQTAAZ-LBPRGKRZSA-N 2 2 349.385 2.371 10 0 EEAELP CC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)[C@@H](C)C1 ZINC000341835373 161017223 /nfs/dbraw/zinc/01/72/23/161017223.db2.gz BFJYRALUXQTAAZ-LBPRGKRZSA-N 2 2 349.385 2.371 10 0 EEAELP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@H]1C ZINC000345750645 161328783 /nfs/dbraw/zinc/32/87/83/161328783.db2.gz AZUXRQKQIJPWLH-VXGBXAGGSA-N 2 2 347.385 2.070 10 0 EEAELP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C[C@H]1C ZINC000345750645 161328784 /nfs/dbraw/zinc/32/87/84/161328784.db2.gz AZUXRQKQIJPWLH-VXGBXAGGSA-N 2 2 347.385 2.070 10 0 EEAELP COc1cc(C)c(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c(C)n1 ZINC000355655493 163260252 /nfs/dbraw/zinc/26/02/52/163260252.db2.gz UCSWUUQCOCRPFV-UHFFFAOYSA-N 2 2 342.443 2.433 10 0 EEAELP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000359335788 164115628 /nfs/dbraw/zinc/11/56/28/164115628.db2.gz RTEZNDZPZZSWTI-HEHGZKQESA-N 2 2 345.447 2.289 10 0 EEAELP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000359335788 164115631 /nfs/dbraw/zinc/11/56/31/164115631.db2.gz RTEZNDZPZZSWTI-HEHGZKQESA-N 2 2 345.447 2.289 10 0 EEAELP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000359335790 164115756 /nfs/dbraw/zinc/11/57/56/164115756.db2.gz RTEZNDZPZZSWTI-WOSRLPQWSA-N 2 2 345.447 2.289 10 0 EEAELP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000359335790 164115757 /nfs/dbraw/zinc/11/57/57/164115757.db2.gz RTEZNDZPZZSWTI-WOSRLPQWSA-N 2 2 345.447 2.289 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000360027607 164220024 /nfs/dbraw/zinc/22/00/24/164220024.db2.gz MFMVTKBAERADMJ-INIZCTEOSA-N 2 2 332.492 2.060 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000360027607 164220027 /nfs/dbraw/zinc/22/00/27/164220027.db2.gz MFMVTKBAERADMJ-INIZCTEOSA-N 2 2 332.492 2.060 10 0 EEAELP C[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)[NH+]1CCCCCC1 ZINC000369323267 166236391 /nfs/dbraw/zinc/23/63/91/166236391.db2.gz JXGUORIGQYSQSW-MRXNPFEDSA-N 2 2 330.476 2.431 10 0 EEAELP c1[nH+]cn2ccc(-c3noc(CCCC[NH+]4CCOCC4)n3)cc12 ZINC000279527285 269285123 /nfs/dbraw/zinc/28/51/23/269285123.db2.gz KTCGPBNAYGAYJN-UHFFFAOYSA-N 2 2 327.388 2.039 10 0 EEAELP COC[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCOCC1 ZINC000187757161 274026941 /nfs/dbraw/zinc/02/69/41/274026941.db2.gz OHRXBNSSTNBTCZ-IBGZPJMESA-N 2 2 329.444 2.463 10 0 EEAELP COCCC1(C)C[NH+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000290023730 275172227 /nfs/dbraw/zinc/17/22/27/275172227.db2.gz GKERUQJGXJQYBM-INIZCTEOSA-N 2 2 331.460 2.372 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292131902 275381472 /nfs/dbraw/zinc/38/14/72/275381472.db2.gz LJABSOMMWCSRFO-HXUWFJFHSA-N 2 2 329.488 2.235 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292131902 275381473 /nfs/dbraw/zinc/38/14/73/275381473.db2.gz LJABSOMMWCSRFO-HXUWFJFHSA-N 2 2 329.488 2.235 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292131902 275381475 /nfs/dbraw/zinc/38/14/75/275381475.db2.gz LJABSOMMWCSRFO-HXUWFJFHSA-N 2 2 329.488 2.235 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292131902 275381476 /nfs/dbraw/zinc/38/14/76/275381476.db2.gz LJABSOMMWCSRFO-HXUWFJFHSA-N 2 2 329.488 2.235 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCn2c[nH+]cc2C1 ZINC000292641760 275458582 /nfs/dbraw/zinc/45/85/82/275458582.db2.gz YEFLBYMUFQOXMX-UHFFFAOYSA-N 2 2 339.443 2.204 10 0 EEAELP CN(C)c1noc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000281384187 292753458 /nfs/dbraw/zinc/75/34/58/292753458.db2.gz PIZGVFBDTMNKKN-UHFFFAOYSA-N 2 2 330.436 2.048 10 0 EEAELP COc1cc[nH+]c(N2CCN(C(=O)Nc3c(C)cc[nH+]c3C)CC2)c1 ZINC000287400756 293053674 /nfs/dbraw/zinc/05/36/74/293053674.db2.gz DMGHXLAWANSZCV-UHFFFAOYSA-N 2 2 341.415 2.456 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000333115489 312095073 /nfs/dbraw/zinc/09/50/73/312095073.db2.gz HEZFWPMZXUGFFW-TZMCWYRMSA-N 2 2 337.493 2.249 10 0 EEAELP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416947408 313369219 /nfs/dbraw/zinc/36/92/19/313369219.db2.gz YAZUQPRDWVYYQN-BXUZGUMPSA-N 2 2 335.839 2.399 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000418578846 313851353 /nfs/dbraw/zinc/85/13/53/313851353.db2.gz QMNAAMIQMIOPTO-KBMXLJTQSA-N 2 2 327.432 2.139 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418591665 313855283 /nfs/dbraw/zinc/85/52/83/313855283.db2.gz NLVZBPLCZYEZAS-CABCVRRESA-N 2 2 333.480 2.106 10 0 EEAELP COCC[NH+](CCOC)C1CCN(Cc2c[nH+]cn2C(C)C)CC1 ZINC000425378503 314382137 /nfs/dbraw/zinc/38/21/37/314382137.db2.gz JYIFXIZDRUJBOO-UHFFFAOYSA-N 2 2 338.496 2.023 10 0 EEAELP CC(C)[C@@H]1C[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000458477738 315710701 /nfs/dbraw/zinc/71/07/01/315710701.db2.gz PFTVXLLOMRECBC-DLBZAZTESA-N 2 2 336.524 2.280 10 0 EEAELP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCCO1 ZINC000527753928 317256200 /nfs/dbraw/zinc/25/62/00/317256200.db2.gz BSHJFUDSAZKSRV-QZTJIDSGSA-N 2 2 338.879 2.434 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000528036158 317306931 /nfs/dbraw/zinc/30/69/31/317306931.db2.gz ONRJBRPJZBGWFB-IYBDPMFKSA-N 2 2 342.443 2.439 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000528036158 317306932 /nfs/dbraw/zinc/30/69/32/317306932.db2.gz ONRJBRPJZBGWFB-IYBDPMFKSA-N 2 2 342.443 2.439 10 0 EEAELP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]c2cc(F)ccc12 ZINC000528134614 317325822 /nfs/dbraw/zinc/32/58/22/317325822.db2.gz RZZCBJQYMKPWME-LJQANCHMSA-N 2 2 345.418 2.402 10 0 EEAELP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1cc[nH+]c2cc(F)ccc12 ZINC000528134614 317325824 /nfs/dbraw/zinc/32/58/24/317325824.db2.gz RZZCBJQYMKPWME-LJQANCHMSA-N 2 2 345.418 2.402 10 0 EEAELP CC(C)(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)c1c[nH]c[nH+]1 ZINC000548092075 318354083 /nfs/dbraw/zinc/35/40/83/318354083.db2.gz MTPWSEUNDDBJSV-UHFFFAOYSA-N 2 2 348.491 2.086 10 0 EEAELP CC(C)[NH2+]C1(CO)CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000565163089 319154958 /nfs/dbraw/zinc/15/49/58/319154958.db2.gz NPPPKHQHVJHBDG-UHFFFAOYSA-N 2 2 328.460 2.197 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000566226978 319262180 /nfs/dbraw/zinc/26/21/80/319262180.db2.gz RZZYYCIKFLHBCD-RYUDHWBXSA-N 2 2 325.482 2.376 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1cc(Cl)ccc1OC ZINC000566428211 319285624 /nfs/dbraw/zinc/28/56/24/319285624.db2.gz BJZLBTCYBSNWNC-CQSZACIVSA-N 2 2 344.883 2.112 10 0 EEAELP CC[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@@H](O)C(F)F ZINC000572243191 319828487 /nfs/dbraw/zinc/82/84/87/319828487.db2.gz PYCFYTKAFWOPPE-HEHGZKQESA-N 2 2 341.402 2.008 10 0 EEAELP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1cccnc1 ZINC000575850205 320119494 /nfs/dbraw/zinc/11/94/94/320119494.db2.gz BPFNTNHDBFDHOY-GOSISDBHSA-N 2 2 326.444 2.173 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+]C2CCN(C(N)=O)CC2)c(C)c1 ZINC000358341848 465069619 /nfs/dbraw/zinc/06/96/19/465069619.db2.gz CQNFWYZYMYFUFY-GOSISDBHSA-N 2 2 341.459 2.374 10 0 EEAELP CC(C)N1CC[C@@H]([N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000337429833 465363796 /nfs/dbraw/zinc/36/37/96/465363796.db2.gz DWYZHDBEJDYENB-NVXWUHKLSA-N 2 2 330.476 2.408 10 0 EEAELP CC(C)N1CC[C@@H]([N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1=O ZINC000337429833 465363798 /nfs/dbraw/zinc/36/37/98/465363798.db2.gz DWYZHDBEJDYENB-NVXWUHKLSA-N 2 2 330.476 2.408 10 0 EEAELP CN(CC1CC1)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337446547 465374143 /nfs/dbraw/zinc/37/41/43/465374143.db2.gz QLYQKAVDHVUKTQ-INIZCTEOSA-N 2 2 330.476 2.267 10 0 EEAELP CN(CC1CC1)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337446547 465374147 /nfs/dbraw/zinc/37/41/47/465374147.db2.gz QLYQKAVDHVUKTQ-INIZCTEOSA-N 2 2 330.476 2.267 10 0 EEAELP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000089689369 462709650 /nfs/dbraw/zinc/70/96/50/462709650.db2.gz JIEORRDGOSTQOS-KRWDZBQOSA-N 2 2 340.471 2.299 10 0 EEAELP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000089689369 462709655 /nfs/dbraw/zinc/70/96/55/462709655.db2.gz JIEORRDGOSTQOS-KRWDZBQOSA-N 2 2 340.471 2.299 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N3CCOCC3)s2)[C@H](C)C1 ZINC000130478269 462759159 /nfs/dbraw/zinc/75/91/59/462759159.db2.gz MCFZSTVUCWKVAT-GDBMZVCRSA-N 2 2 338.521 2.142 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N3CCOCC3)s2)[C@H](C)C1 ZINC000130478269 462759161 /nfs/dbraw/zinc/75/91/61/462759161.db2.gz MCFZSTVUCWKVAT-GDBMZVCRSA-N 2 2 338.521 2.142 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N3CCOCC3)s2)[C@H](C)C1 ZINC000130478269 462759165 /nfs/dbraw/zinc/75/91/65/462759165.db2.gz MCFZSTVUCWKVAT-GDBMZVCRSA-N 2 2 338.521 2.142 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N3CCOCC3)s2)[C@H](C)C1 ZINC000130478269 462759167 /nfs/dbraw/zinc/75/91/67/462759167.db2.gz MCFZSTVUCWKVAT-GDBMZVCRSA-N 2 2 338.521 2.142 10 0 EEAELP COCCCC(=O)N[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000065610006 462809325 /nfs/dbraw/zinc/80/93/25/462809325.db2.gz BIWCHFIBNKKAEG-IBGZPJMESA-N 2 2 347.503 2.297 10 0 EEAELP COCCCC(=O)N[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000065610006 462809331 /nfs/dbraw/zinc/80/93/31/462809331.db2.gz BIWCHFIBNKKAEG-IBGZPJMESA-N 2 2 347.503 2.297 10 0 EEAELP C[NH+](C)C1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCC1 ZINC000047835067 462827390 /nfs/dbraw/zinc/82/73/90/462827390.db2.gz AXKLZPXCQUBFBO-UHFFFAOYSA-N 2 2 345.491 2.224 10 0 EEAELP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccnc1 ZINC000091316474 462873234 /nfs/dbraw/zinc/87/32/34/462873234.db2.gz AOOPLWUQBKFJFK-QZTJIDSGSA-N 2 2 332.492 2.311 10 0 EEAELP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccnc1 ZINC000091316474 462873240 /nfs/dbraw/zinc/87/32/40/462873240.db2.gz AOOPLWUQBKFJFK-QZTJIDSGSA-N 2 2 332.492 2.311 10 0 EEAELP Cc1cc(NC[C@@H](C)C[NH+]2CCOCC2)nc(-c2ccncc2)[nH+]1 ZINC000077995664 463079080 /nfs/dbraw/zinc/07/90/80/463079080.db2.gz ATTOYSJRXLKCAM-CQSZACIVSA-N 2 2 327.432 2.227 10 0 EEAELP O=C(N[C@@H]1CCCN(c2cccc[nH+]2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000097136144 463332377 /nfs/dbraw/zinc/33/23/77/463332377.db2.gz AOXDSLWNGFBLPJ-SJLPKXTDSA-N 2 2 328.460 2.041 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccccc2c1=O ZINC000097200612 463346202 /nfs/dbraw/zinc/34/62/02/463346202.db2.gz ICYLWKDTBIGFDA-HNNXBMFYSA-N 2 2 349.438 2.263 10 0 EEAELP Cn1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccccc2c1=O ZINC000097200612 463346206 /nfs/dbraw/zinc/34/62/06/463346206.db2.gz ICYLWKDTBIGFDA-HNNXBMFYSA-N 2 2 349.438 2.263 10 0 EEAELP Cc1ccsc1CNC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123587293 463352613 /nfs/dbraw/zinc/35/26/13/463352613.db2.gz DKCSNZKKTFOEIB-HNNXBMFYSA-N 2 2 346.500 2.361 10 0 EEAELP Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123587293 463352620 /nfs/dbraw/zinc/35/26/20/463352620.db2.gz DKCSNZKKTFOEIB-HNNXBMFYSA-N 2 2 346.500 2.361 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123709191 463363357 /nfs/dbraw/zinc/36/33/57/463363357.db2.gz FDFFGXOJBCISLM-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123709191 463363362 /nfs/dbraw/zinc/36/33/62/463363362.db2.gz FDFFGXOJBCISLM-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123709191 463363366 /nfs/dbraw/zinc/36/33/66/463363366.db2.gz FDFFGXOJBCISLM-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123709191 463363372 /nfs/dbraw/zinc/36/33/72/463363372.db2.gz FDFFGXOJBCISLM-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123845557 463373793 /nfs/dbraw/zinc/37/37/93/463373793.db2.gz WMFRWHXFSNWRJB-SFHVURJKSA-N 2 2 340.471 2.299 10 0 EEAELP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123845557 463373797 /nfs/dbraw/zinc/37/37/97/463373797.db2.gz WMFRWHXFSNWRJB-SFHVURJKSA-N 2 2 340.471 2.299 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000151290875 463508132 /nfs/dbraw/zinc/50/81/32/463508132.db2.gz RTFKRAKEHPPVTE-CRAIPNDOSA-N 2 2 347.459 2.141 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000073958932 463674505 /nfs/dbraw/zinc/67/45/05/463674505.db2.gz MMKKDCUQVCHBLN-QGZVFWFLSA-N 2 2 341.459 2.215 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000073958932 463674509 /nfs/dbraw/zinc/67/45/09/463674509.db2.gz MMKKDCUQVCHBLN-QGZVFWFLSA-N 2 2 341.459 2.215 10 0 EEAELP CCC[NH+]1CCC([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000184948028 463723376 /nfs/dbraw/zinc/72/33/76/463723376.db2.gz DZTRRXRGYVOCSZ-UHFFFAOYSA-N 2 2 336.455 2.021 10 0 EEAELP CC(C)[NH+]1CCC([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)CC1 ZINC000184949931 463725710 /nfs/dbraw/zinc/72/57/10/463725710.db2.gz HGWOLFMXBJQRMI-UHFFFAOYSA-N 2 2 336.455 2.020 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261836663 463874256 /nfs/dbraw/zinc/87/42/56/463874256.db2.gz UDQWGIWKFPOXLR-SFHVURJKSA-N 2 2 349.438 2.167 10 0 EEAELP COc1ccc(-c2noc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000261849664 463878120 /nfs/dbraw/zinc/87/81/20/463878120.db2.gz JHPHSTUQMJKQBB-YIONKMFJSA-N 2 2 328.416 2.460 10 0 EEAELP COc1ccc(-c2noc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000261849664 463878123 /nfs/dbraw/zinc/87/81/23/463878123.db2.gz JHPHSTUQMJKQBB-YIONKMFJSA-N 2 2 328.416 2.460 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2ccc[nH]c2=S)([NH+]2CCCCC2)CC1 ZINC000172850316 464154839 /nfs/dbraw/zinc/15/48/39/464154839.db2.gz BPUBPEVJKHLAEO-UHFFFAOYSA-N 2 2 348.516 2.424 10 0 EEAELP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)[C@@H]1C ZINC000280021156 464182162 /nfs/dbraw/zinc/18/21/62/464182162.db2.gz TZFIXOUUWYNXCJ-IJEWVQPXSA-N 2 2 328.416 2.335 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452862 464263483 /nfs/dbraw/zinc/26/34/83/464263483.db2.gz NNRNGLWDLSTQBE-CRAIPNDOSA-N 2 2 339.443 2.423 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452862 464263489 /nfs/dbraw/zinc/26/34/89/464263489.db2.gz NNRNGLWDLSTQBE-CRAIPNDOSA-N 2 2 339.443 2.423 10 0 EEAELP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccccc1F ZINC000173952598 464338118 /nfs/dbraw/zinc/33/81/18/464338118.db2.gz AKIHJCGEBKEZIW-UHFFFAOYSA-N 2 2 349.450 2.341 10 0 EEAELP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CCN(c2cccc[nH+]2)CC1 ZINC000237881494 464396012 /nfs/dbraw/zinc/39/60/12/464396012.db2.gz MZUZMQPNKQIYLK-ZXFUBFMLSA-N 2 2 328.460 2.087 10 0 EEAELP O=S(=O)(CC[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000238017393 464419186 /nfs/dbraw/zinc/41/91/86/464419186.db2.gz WYWJVVZLWDKTPN-UHFFFAOYSA-N 2 2 345.468 2.114 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000245655677 464503565 /nfs/dbraw/zinc/50/35/65/464503565.db2.gz CMAZBCHHBABLPX-HOTGVXAUSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000245655677 464503569 /nfs/dbraw/zinc/50/35/69/464503569.db2.gz CMAZBCHHBABLPX-HOTGVXAUSA-N 2 2 335.496 2.459 10 0 EEAELP CC[NH+](CC)CCC[C@H](C)Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000245686566 464507427 /nfs/dbraw/zinc/50/74/27/464507427.db2.gz NFVUQYGJCQLRIB-HOTGVXAUSA-N 2 2 335.496 2.360 10 0 EEAELP CC[NH+](CC)CCC[C@H](C)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245686566 464507432 /nfs/dbraw/zinc/50/74/32/464507432.db2.gz NFVUQYGJCQLRIB-HOTGVXAUSA-N 2 2 335.496 2.360 10 0 EEAELP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000272325266 464565501 /nfs/dbraw/zinc/56/55/01/464565501.db2.gz LFARDUKUMGWTTA-OAHLLOKOSA-N 2 2 327.432 2.071 10 0 EEAELP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265460469 464567857 /nfs/dbraw/zinc/56/78/57/464567857.db2.gz FPZBRQFERJTNAO-CQSZACIVSA-N 2 2 342.443 2.303 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000175815095 464633750 /nfs/dbraw/zinc/63/37/50/464633750.db2.gz WXCWULUCWWGCTO-UHFFFAOYSA-N 2 2 343.475 2.470 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000175815095 464633754 /nfs/dbraw/zinc/63/37/54/464633754.db2.gz WXCWULUCWWGCTO-UHFFFAOYSA-N 2 2 343.475 2.470 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000246999801 464640885 /nfs/dbraw/zinc/64/08/85/464640885.db2.gz KWFCBYPQNAOLQT-HOCLYGCPSA-N 2 2 347.459 2.058 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000246999801 464640888 /nfs/dbraw/zinc/64/08/88/464640888.db2.gz KWFCBYPQNAOLQT-HOCLYGCPSA-N 2 2 347.459 2.058 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000246999801 464640894 /nfs/dbraw/zinc/64/08/94/464640894.db2.gz KWFCBYPQNAOLQT-HOCLYGCPSA-N 2 2 347.459 2.058 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000246999801 464640899 /nfs/dbraw/zinc/64/08/99/464640899.db2.gz KWFCBYPQNAOLQT-HOCLYGCPSA-N 2 2 347.459 2.058 10 0 EEAELP CC(C)(C)n1cc(CN2CC[NH+](CCCn3cc[nH+]c3)CC2)cn1 ZINC000182756124 464722745 /nfs/dbraw/zinc/72/27/45/464722745.db2.gz WPYRSCHTBNZSAQ-UHFFFAOYSA-N 2 2 330.480 2.043 10 0 EEAELP c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000282251702 464751455 /nfs/dbraw/zinc/75/14/55/464751455.db2.gz BHXONBKHYZMEAR-SFHVURJKSA-N 2 2 340.471 2.417 10 0 EEAELP c1cc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000282251702 464751459 /nfs/dbraw/zinc/75/14/59/464751459.db2.gz BHXONBKHYZMEAR-SFHVURJKSA-N 2 2 340.471 2.417 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC000248641102 464777056 /nfs/dbraw/zinc/77/70/56/464777056.db2.gz CIODXHXABNHVGW-ROUUACIJSA-N 2 2 335.492 2.011 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC000248641102 464777060 /nfs/dbraw/zinc/77/70/60/464777060.db2.gz CIODXHXABNHVGW-ROUUACIJSA-N 2 2 335.492 2.011 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000248641102 464777066 /nfs/dbraw/zinc/77/70/66/464777066.db2.gz CIODXHXABNHVGW-ROUUACIJSA-N 2 2 335.492 2.011 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000248641102 464777073 /nfs/dbraw/zinc/77/70/73/464777073.db2.gz CIODXHXABNHVGW-ROUUACIJSA-N 2 2 335.492 2.011 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)c2cccc(CO)c2)nc[nH+]1 ZINC000183292544 464844339 /nfs/dbraw/zinc/84/43/39/464844339.db2.gz DSZDVQWPUCCMMJ-YOEHRIQHSA-N 2 2 341.459 2.330 10 0 EEAELP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177430738 465013739 /nfs/dbraw/zinc/01/37/39/465013739.db2.gz NOXOLRHUAJBLDZ-MRXNPFEDSA-N 2 2 333.480 2.320 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000361014568 465704261 /nfs/dbraw/zinc/70/42/61/465704261.db2.gz UWEGPDHLOBFUIV-XLIONFOSSA-N 2 2 347.503 2.285 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000361014568 465704266 /nfs/dbraw/zinc/70/42/66/465704266.db2.gz UWEGPDHLOBFUIV-XLIONFOSSA-N 2 2 347.503 2.285 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000371443728 465799005 /nfs/dbraw/zinc/79/90/05/465799005.db2.gz SRCDLFOZZPGLKY-LPHOPBHVSA-N 2 2 338.455 2.438 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000371443728 465799010 /nfs/dbraw/zinc/79/90/10/465799010.db2.gz SRCDLFOZZPGLKY-LPHOPBHVSA-N 2 2 338.455 2.438 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000371443728 465799014 /nfs/dbraw/zinc/79/90/14/465799014.db2.gz SRCDLFOZZPGLKY-LPHOPBHVSA-N 2 2 338.455 2.438 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000371443728 465799017 /nfs/dbraw/zinc/79/90/17/465799017.db2.gz SRCDLFOZZPGLKY-LPHOPBHVSA-N 2 2 338.455 2.438 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000353432754 465877796 /nfs/dbraw/zinc/87/77/96/465877796.db2.gz CKSNGTUJIVAVSP-QHAWAJNXSA-N 3 2 343.515 2.481 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)N(C(C)C)C(C)C)CC1 ZINC000361528843 466077459 /nfs/dbraw/zinc/07/74/59/466077459.db2.gz BNNFQGHBYBEGKS-INIZCTEOSA-N 2 2 348.491 2.246 10 0 EEAELP COc1cccc(N2C[C@@H]([NH2+]Cc3c[nH+]ccc3N(C)C)CC2=O)c1 ZINC000371938597 466078658 /nfs/dbraw/zinc/07/86/58/466078658.db2.gz OMKKQMXORPCMJM-HNNXBMFYSA-N 2 2 340.427 2.051 10 0 EEAELP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346333796 466083705 /nfs/dbraw/zinc/08/37/05/466083705.db2.gz JMTPQQRTHKZNIW-VXGBXAGGSA-N 2 2 349.385 2.370 10 0 EEAELP CN(C(=O)c1ccc(NCc2[nH+]ccn2C)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000367063967 466105889 /nfs/dbraw/zinc/10/58/89/466105889.db2.gz AEHAUSQAMNOVIE-KRWDZBQOSA-N 2 2 341.459 2.198 10 0 EEAELP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000600202158 468493772 /nfs/dbraw/zinc/49/37/72/468493772.db2.gz ATKCHJFZGMSVTD-KRWDZBQOSA-N 2 2 332.444 2.345 10 0 EEAELP COC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000600202158 468493774 /nfs/dbraw/zinc/49/37/74/468493774.db2.gz ATKCHJFZGMSVTD-KRWDZBQOSA-N 2 2 332.444 2.345 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@H]2CCCCS2)([NH+]2CCCCC2)CC1 ZINC000341139119 466611618 /nfs/dbraw/zinc/61/16/18/466611618.db2.gz BTZVSDQSXUGLSD-MRXNPFEDSA-N 2 2 339.549 2.339 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCCc2ccccc21 ZINC000324614404 466648637 /nfs/dbraw/zinc/64/86/37/466648637.db2.gz LVABHKVOXYPGHX-ZWKOTPCHSA-N 2 2 327.472 2.430 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCCc2ccccc21 ZINC000324614404 466648640 /nfs/dbraw/zinc/64/86/40/466648640.db2.gz LVABHKVOXYPGHX-ZWKOTPCHSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000415366868 466656182 /nfs/dbraw/zinc/65/61/82/466656182.db2.gz XDRFJKZWWOPZRX-OLZOCXBDSA-N 2 2 325.416 2.459 10 0 EEAELP CC[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422803396 466683288 /nfs/dbraw/zinc/68/32/88/466683288.db2.gz FTJVLIXFQNCHPD-NJDAHSKKSA-N 2 2 343.515 2.180 10 0 EEAELP CC[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422803396 466683292 /nfs/dbraw/zinc/68/32/92/466683292.db2.gz FTJVLIXFQNCHPD-NJDAHSKKSA-N 2 2 343.515 2.180 10 0 EEAELP CC[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422803396 466683295 /nfs/dbraw/zinc/68/32/95/466683295.db2.gz FTJVLIXFQNCHPD-NJDAHSKKSA-N 2 2 343.515 2.180 10 0 EEAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422842462 466685401 /nfs/dbraw/zinc/68/54/01/466685401.db2.gz YGGQJDMZJJEIJZ-ATZDWAIDSA-N 3 2 349.544 2.317 10 0 EEAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422842462 466685406 /nfs/dbraw/zinc/68/54/06/466685406.db2.gz YGGQJDMZJJEIJZ-ATZDWAIDSA-N 3 2 349.544 2.317 10 0 EEAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)c1 ZINC000422842462 466685411 /nfs/dbraw/zinc/68/54/11/466685411.db2.gz YGGQJDMZJJEIJZ-ATZDWAIDSA-N 2 2 349.544 2.317 10 0 EEAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)c1 ZINC000422842462 466685414 /nfs/dbraw/zinc/68/54/14/466685414.db2.gz YGGQJDMZJJEIJZ-ATZDWAIDSA-N 2 2 349.544 2.317 10 0 EEAELP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000423199328 466695940 /nfs/dbraw/zinc/69/59/40/466695940.db2.gz JRLSDDSELKPFFS-CYBMUJFWSA-N 2 2 325.478 2.036 10 0 EEAELP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423247208 466703336 /nfs/dbraw/zinc/70/33/36/466703336.db2.gz QHPFEQBYIPVOEB-DYVFJYSZSA-N 2 2 333.457 2.409 10 0 EEAELP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423251519 466703950 /nfs/dbraw/zinc/70/39/50/466703950.db2.gz WNEARMVVJDFYFP-DYVFJYSZSA-N 2 2 333.457 2.409 10 0 EEAELP COCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423405925 466740516 /nfs/dbraw/zinc/74/05/16/466740516.db2.gz JVKRXYUCELRCSV-MOPGFXCFSA-N 3 2 347.503 2.094 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657479370 471148435 /nfs/dbraw/zinc/14/84/35/471148435.db2.gz DAOHGOVYIMYERW-CQSZACIVSA-N 2 2 332.366 2.364 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000657479370 471148441 /nfs/dbraw/zinc/14/84/41/471148441.db2.gz DAOHGOVYIMYERW-CQSZACIVSA-N 2 2 332.366 2.364 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)[C@H](C)[NH3+])c(C)c1 ZINC000417931169 466990212 /nfs/dbraw/zinc/99/02/12/466990212.db2.gz LCQKBYSTXQQKRM-ZOBUZTSGSA-N 2 2 329.448 2.276 10 0 EEAELP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418450096 467113108 /nfs/dbraw/zinc/11/31/08/467113108.db2.gz UMTMMDXZHCVRDN-HOTGVXAUSA-N 2 2 347.507 2.482 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418553387 467127637 /nfs/dbraw/zinc/12/76/37/467127637.db2.gz MYVFCJTZBHMWFG-IJEWVQPXSA-N 2 2 336.505 2.134 10 0 EEAELP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@H]1c1ccccc1 ZINC000432121881 467216708 /nfs/dbraw/zinc/21/67/08/467216708.db2.gz YYIPLFQTTCTDKP-IPELMVKDSA-N 2 2 329.488 2.178 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000420372438 467382570 /nfs/dbraw/zinc/38/25/70/467382570.db2.gz MHERNTCLJYOZRT-DRZUXFPHSA-N 2 2 331.504 2.147 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC12CC3CC(CC(C3)C1)C2 ZINC000420372438 467382572 /nfs/dbraw/zinc/38/25/72/467382572.db2.gz MHERNTCLJYOZRT-DRZUXFPHSA-N 2 2 331.504 2.147 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420389404 467390889 /nfs/dbraw/zinc/39/08/89/467390889.db2.gz XMDVUFWPLLAYOI-OXQOHEQNSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420389404 467390892 /nfs/dbraw/zinc/39/08/92/467390892.db2.gz XMDVUFWPLLAYOI-OXQOHEQNSA-N 2 2 327.472 2.430 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n1C ZINC000414251600 467394710 /nfs/dbraw/zinc/39/47/10/467394710.db2.gz HFDQEYDDFLLEIB-UHFFFAOYSA-N 3 2 327.476 2.372 10 0 EEAELP Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc(N)[nH+]1 ZINC000391011658 467418403 /nfs/dbraw/zinc/41/84/03/467418403.db2.gz XHJXKBCMWQMLEJ-HNNXBMFYSA-N 2 2 326.448 2.475 10 0 EEAELP Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc(N)[nH+]1 ZINC000391011658 467418407 /nfs/dbraw/zinc/41/84/07/467418407.db2.gz XHJXKBCMWQMLEJ-HNNXBMFYSA-N 2 2 326.448 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH+]1 ZINC000391011658 467418409 /nfs/dbraw/zinc/41/84/09/467418409.db2.gz XHJXKBCMWQMLEJ-HNNXBMFYSA-N 2 2 326.448 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH+]1 ZINC000391011658 467418413 /nfs/dbraw/zinc/41/84/13/467418413.db2.gz XHJXKBCMWQMLEJ-HNNXBMFYSA-N 2 2 326.448 2.475 10 0 EEAELP CC[N@@H+]1CCO[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000420507948 467422034 /nfs/dbraw/zinc/42/20/34/467422034.db2.gz YMUDUGMYYYXQSO-HNNXBMFYSA-N 2 2 325.372 2.316 10 0 EEAELP CC[N@H+]1CCO[C@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000420507948 467422037 /nfs/dbraw/zinc/42/20/37/467422037.db2.gz YMUDUGMYYYXQSO-HNNXBMFYSA-N 2 2 325.372 2.316 10 0 EEAELP CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000391852397 467423569 /nfs/dbraw/zinc/42/35/69/467423569.db2.gz ZYYYEOKAWBISJP-QAPCUYQASA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000391852397 467423572 /nfs/dbraw/zinc/42/35/72/467423572.db2.gz ZYYYEOKAWBISJP-QAPCUYQASA-N 2 2 331.460 2.488 10 0 EEAELP CN(Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000420911400 467510619 /nfs/dbraw/zinc/51/06/19/467510619.db2.gz GLOTYEOEIUWILQ-FQEVSTJZSA-N 2 2 329.488 2.187 10 0 EEAELP CN(Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000420911400 467510622 /nfs/dbraw/zinc/51/06/22/467510622.db2.gz GLOTYEOEIUWILQ-FQEVSTJZSA-N 2 2 329.488 2.187 10 0 EEAELP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000420911400 467510625 /nfs/dbraw/zinc/51/06/25/467510625.db2.gz GLOTYEOEIUWILQ-FQEVSTJZSA-N 2 2 329.488 2.187 10 0 EEAELP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCN(C2CC2)C1 ZINC000420911400 467510631 /nfs/dbraw/zinc/51/06/31/467510631.db2.gz GLOTYEOEIUWILQ-FQEVSTJZSA-N 2 2 329.488 2.187 10 0 EEAELP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449193562 467622727 /nfs/dbraw/zinc/62/27/27/467622727.db2.gz RKSQCMBBRLFUNK-INIZCTEOSA-N 2 2 341.427 2.491 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449232141 467624617 /nfs/dbraw/zinc/62/46/17/467624617.db2.gz SDBNLJVWSRLPEY-INIZCTEOSA-N 2 2 347.484 2.278 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000449232141 467624618 /nfs/dbraw/zinc/62/46/18/467624618.db2.gz SDBNLJVWSRLPEY-INIZCTEOSA-N 2 2 347.484 2.278 10 0 EEAELP C[C@@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000457117922 467757981 /nfs/dbraw/zinc/75/79/81/467757981.db2.gz JSMPSAQUFCGCRA-OAHLLOKOSA-N 2 2 341.411 2.013 10 0 EEAELP C[C@@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000457117922 467757985 /nfs/dbraw/zinc/75/79/85/467757985.db2.gz JSMPSAQUFCGCRA-OAHLLOKOSA-N 2 2 341.411 2.013 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000457456361 467828102 /nfs/dbraw/zinc/82/81/02/467828102.db2.gz BKCXLRLORJKFFN-MRXNPFEDSA-N 2 2 349.866 2.218 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000529291662 467840740 /nfs/dbraw/zinc/84/07/40/467840740.db2.gz QJUYXJKFNWWDOQ-JKSUJKDBSA-N 2 2 339.443 2.093 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000516162940 468016276 /nfs/dbraw/zinc/01/62/76/468016276.db2.gz YHSZHDHJPVDIOR-INIZCTEOSA-N 2 2 325.416 2.445 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000531631524 468066143 /nfs/dbraw/zinc/06/61/43/468066143.db2.gz YVKUPRLYNLJAIX-GASCZTMLSA-N 2 2 329.448 2.396 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000531631524 468066146 /nfs/dbraw/zinc/06/61/46/468066146.db2.gz YVKUPRLYNLJAIX-GASCZTMLSA-N 2 2 329.448 2.396 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000569577217 468512634 /nfs/dbraw/zinc/51/26/34/468512634.db2.gz KSKJFWLXYZRUGS-DNVCBOLYSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000569577217 468512639 /nfs/dbraw/zinc/51/26/39/468512639.db2.gz KSKJFWLXYZRUGS-DNVCBOLYSA-N 2 2 331.460 2.488 10 0 EEAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N[C@@H](c1ccccc1)C1CC1 ZINC000569724139 468534740 /nfs/dbraw/zinc/53/47/40/468534740.db2.gz ZLPMDRZBARSJTM-PMACEKPBSA-N 2 2 327.472 2.329 10 0 EEAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N[C@@H](c1ccccc1)C1CC1 ZINC000569724139 468534748 /nfs/dbraw/zinc/53/47/48/468534748.db2.gz ZLPMDRZBARSJTM-PMACEKPBSA-N 2 2 327.472 2.329 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000570221959 468606618 /nfs/dbraw/zinc/60/66/18/468606618.db2.gz CQPYUGKIYSZBDW-OALUTQOASA-N 2 2 349.519 2.356 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000570221959 468606623 /nfs/dbraw/zinc/60/66/23/468606623.db2.gz CQPYUGKIYSZBDW-OALUTQOASA-N 2 2 349.519 2.356 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000570221959 468606626 /nfs/dbraw/zinc/60/66/26/468606626.db2.gz CQPYUGKIYSZBDW-OALUTQOASA-N 2 2 349.519 2.356 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000570221959 468606629 /nfs/dbraw/zinc/60/66/29/468606629.db2.gz CQPYUGKIYSZBDW-OALUTQOASA-N 2 2 349.519 2.356 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)CCC2 ZINC000594494779 468607978 /nfs/dbraw/zinc/60/79/78/468607978.db2.gz FZRFSFYZJHELBU-HNAYVOBHSA-N 2 2 346.471 2.409 10 0 EEAELP Cc1c(Cl)cc(F)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c1F ZINC000582892891 468611492 /nfs/dbraw/zinc/61/14/92/468611492.db2.gz DXHQAPLUZOIFTA-VIFPVBQESA-N 2 2 332.782 2.033 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000595005015 468741890 /nfs/dbraw/zinc/74/18/90/468741890.db2.gz WRPNSAIBEHOSKD-JYJNAYRXSA-N 2 2 328.497 2.443 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000595003317 468742166 /nfs/dbraw/zinc/74/21/66/468742166.db2.gz GZYBOFJERCTDGT-HOTGVXAUSA-N 2 2 328.497 2.301 10 0 EEAELP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000595003317 468742172 /nfs/dbraw/zinc/74/21/72/468742172.db2.gz GZYBOFJERCTDGT-HOTGVXAUSA-N 2 2 328.497 2.301 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCOc2ccccc2C1 ZINC000588691695 469157748 /nfs/dbraw/zinc/15/77/48/469157748.db2.gz QLCLKMOSGSGBBY-IBGZPJMESA-N 2 2 326.440 2.374 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCOc2ccccc2C1 ZINC000588691695 469157756 /nfs/dbraw/zinc/15/77/56/469157756.db2.gz QLCLKMOSGSGBBY-IBGZPJMESA-N 2 2 326.440 2.374 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCOc2ccccc2C1 ZINC000588691695 469157760 /nfs/dbraw/zinc/15/77/60/469157760.db2.gz QLCLKMOSGSGBBY-IBGZPJMESA-N 2 2 326.440 2.374 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCOc2ccccc2C1 ZINC000588691695 469157766 /nfs/dbraw/zinc/15/77/66/469157766.db2.gz QLCLKMOSGSGBBY-IBGZPJMESA-N 2 2 326.440 2.374 10 0 EEAELP Cc1cc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)ccc1OCC[NH+](C)C ZINC000616236510 469403163 /nfs/dbraw/zinc/40/31/63/469403163.db2.gz HARAYFYFZPEQCS-CQSZACIVSA-N 2 2 342.443 2.402 10 0 EEAELP Cc1cc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)ccc1OCC[NH+](C)C ZINC000616236510 469403167 /nfs/dbraw/zinc/40/31/67/469403167.db2.gz HARAYFYFZPEQCS-CQSZACIVSA-N 2 2 342.443 2.402 10 0 EEAELP O[C@@H]1CC[C@H]2CC[N@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)[C@@H]12 ZINC000626139823 469515089 /nfs/dbraw/zinc/51/50/89/469515089.db2.gz ASENCDWPZUBVQJ-VNTMZGSJSA-N 2 2 330.472 2.123 10 0 EEAELP O[C@@H]1CC[C@H]2CC[N@@H+](C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)[C@@H]12 ZINC000626139823 469515094 /nfs/dbraw/zinc/51/50/94/469515094.db2.gz ASENCDWPZUBVQJ-VNTMZGSJSA-N 2 2 330.472 2.123 10 0 EEAELP O[C@@H]1CC[C@H]2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)[C@@H]12 ZINC000626139823 469515097 /nfs/dbraw/zinc/51/50/97/469515097.db2.gz ASENCDWPZUBVQJ-VNTMZGSJSA-N 2 2 330.472 2.123 10 0 EEAELP O[C@@H]1CC[C@H]2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)[C@@H]12 ZINC000626139823 469515101 /nfs/dbraw/zinc/51/51/01/469515101.db2.gz ASENCDWPZUBVQJ-VNTMZGSJSA-N 2 2 330.472 2.123 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000626370879 469589219 /nfs/dbraw/zinc/58/92/19/469589219.db2.gz YIHFSRUDIKSDIT-CRAIPNDOSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1nc2c(F)cccc2cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763132 469796234 /nfs/dbraw/zinc/79/62/34/469796234.db2.gz GGDPGJFCPWINHQ-UHFFFAOYSA-N 2 2 346.450 2.296 10 0 EEAELP Cc1nc2c(F)cccc2cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763132 469796237 /nfs/dbraw/zinc/79/62/37/469796237.db2.gz GGDPGJFCPWINHQ-UHFFFAOYSA-N 2 2 346.450 2.296 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(-c2ccoc2)n1 ZINC000617766398 469797995 /nfs/dbraw/zinc/79/79/95/469797995.db2.gz IZDUPVJRTXJHSI-UHFFFAOYSA-N 2 2 336.461 2.016 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(-c2ccoc2)n1 ZINC000617766398 469797999 /nfs/dbraw/zinc/79/79/99/469797999.db2.gz IZDUPVJRTXJHSI-UHFFFAOYSA-N 2 2 336.461 2.016 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000617767474 469798621 /nfs/dbraw/zinc/79/86/21/469798621.db2.gz XDUIPHVSPDRWFX-FQEVSTJZSA-N 2 2 331.504 2.280 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000617767474 469798625 /nfs/dbraw/zinc/79/86/25/469798625.db2.gz XDUIPHVSPDRWFX-FQEVSTJZSA-N 2 2 331.504 2.280 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000627164771 469830913 /nfs/dbraw/zinc/83/09/13/469830913.db2.gz HPMHQXPFZMTUGH-OSDWJDLUSA-N 2 2 342.487 2.168 10 0 EEAELP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614098191 469852620 /nfs/dbraw/zinc/85/26/20/469852620.db2.gz QLKRHXIOUIWRBF-QZTJIDSGSA-N 2 2 342.418 2.190 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242929 469854415 /nfs/dbraw/zinc/85/44/15/469854415.db2.gz YCLJDUZCMWSUCM-NUEKZKHPSA-N 2 2 341.459 2.269 10 0 EEAELP [NH3+][C@H](c1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nn1)C1CCOCC1 ZINC000630589321 469913753 /nfs/dbraw/zinc/91/37/53/469913753.db2.gz FRSGSZDPKWWECZ-INIZCTEOSA-N 2 2 346.822 2.054 10 0 EEAELP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000627487607 469913930 /nfs/dbraw/zinc/91/39/30/469913930.db2.gz HHZLEZKJZNCMAM-CGTJXYLNSA-N 2 2 347.890 2.467 10 0 EEAELP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000627487607 469913933 /nfs/dbraw/zinc/91/39/33/469913933.db2.gz HHZLEZKJZNCMAM-CGTJXYLNSA-N 2 2 347.890 2.467 10 0 EEAELP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000627487607 469913935 /nfs/dbraw/zinc/91/39/35/469913935.db2.gz HHZLEZKJZNCMAM-CGTJXYLNSA-N 2 2 347.890 2.467 10 0 EEAELP C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3Cc3ccc(Cl)cc3)[C@@H]2C1 ZINC000627487607 469913938 /nfs/dbraw/zinc/91/39/38/469913938.db2.gz HHZLEZKJZNCMAM-CGTJXYLNSA-N 2 2 347.890 2.467 10 0 EEAELP C[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631110157 470070388 /nfs/dbraw/zinc/07/03/88/470070388.db2.gz KWOZWNWYMNTHLI-GVDBMIGSSA-N 2 2 347.507 2.057 10 0 EEAELP C[C@H]([NH2+]Cc1cn(C[C@H]2CCOC2)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000631110157 470070390 /nfs/dbraw/zinc/07/03/90/470070390.db2.gz KWOZWNWYMNTHLI-GVDBMIGSSA-N 2 2 347.507 2.057 10 0 EEAELP OC[C@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631158816 470082188 /nfs/dbraw/zinc/08/21/88/470082188.db2.gz GXEUKBHBFHKXDJ-OALUTQOASA-N 2 2 348.487 2.038 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]c(NC(=O)[C@H]3CC(C)(C)OC3(C)C)c2)CC1 ZINC000634193686 470229669 /nfs/dbraw/zinc/22/96/69/470229669.db2.gz FLOIERJYSRHJDV-OAHLLOKOSA-N 2 2 346.475 2.366 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000634707784 470282958 /nfs/dbraw/zinc/28/29/58/470282958.db2.gz LKNMXXBHWCDMEA-TTYHFUOFSA-N 2 2 332.488 2.151 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000634707784 470282960 /nfs/dbraw/zinc/28/29/60/470282960.db2.gz LKNMXXBHWCDMEA-TTYHFUOFSA-N 2 2 332.488 2.151 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000648828486 470361523 /nfs/dbraw/zinc/36/15/23/470361523.db2.gz FZKKXJQNJJYIDU-IKGGRYGDSA-N 2 2 348.491 2.156 10 0 EEAELP C[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000633208771 470386966 /nfs/dbraw/zinc/38/69/66/470386966.db2.gz ZDKHFLLGSWYCLD-FQEVSTJZSA-N 2 2 338.455 2.359 10 0 EEAELP C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000633208771 470386971 /nfs/dbraw/zinc/38/69/71/470386971.db2.gz ZDKHFLLGSWYCLD-FQEVSTJZSA-N 2 2 338.455 2.359 10 0 EEAELP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633367675 470441062 /nfs/dbraw/zinc/44/10/62/470441062.db2.gz CIMIGUVRDLGILX-GOSISDBHSA-N 2 2 326.444 2.356 10 0 EEAELP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633367675 470441067 /nfs/dbraw/zinc/44/10/67/470441067.db2.gz CIMIGUVRDLGILX-GOSISDBHSA-N 2 2 326.444 2.356 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000639328447 470469283 /nfs/dbraw/zinc/46/92/83/470469283.db2.gz XFCBFIJNRHUAEF-HXUWFJFHSA-N 2 2 331.504 2.209 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]CCC2CCOCC2)C1 ZINC000639328447 470469287 /nfs/dbraw/zinc/46/92/87/470469287.db2.gz XFCBFIJNRHUAEF-HXUWFJFHSA-N 2 2 331.504 2.209 10 0 EEAELP O[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1Oc1ccccc1 ZINC000639361698 470479897 /nfs/dbraw/zinc/47/98/97/470479897.db2.gz OAINGKSBGJCTLN-WOJBJXKFSA-N 2 2 335.407 2.496 10 0 EEAELP O[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1Oc1ccccc1 ZINC000639361698 470479903 /nfs/dbraw/zinc/47/99/03/470479903.db2.gz OAINGKSBGJCTLN-WOJBJXKFSA-N 2 2 335.407 2.496 10 0 EEAELP C[N@H+](CC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1)[C@H]1CCSC1 ZINC000633523394 470494577 /nfs/dbraw/zinc/49/45/77/470494577.db2.gz JZMFXIKZCZWVLX-HNNXBMFYSA-N 2 2 330.457 2.130 10 0 EEAELP C[N@@H+](CC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1)[C@H]1CCSC1 ZINC000633523394 470494583 /nfs/dbraw/zinc/49/45/83/470494583.db2.gz JZMFXIKZCZWVLX-HNNXBMFYSA-N 2 2 330.457 2.130 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641864426 470503742 /nfs/dbraw/zinc/50/37/42/470503742.db2.gz FDLAICJCYHOCQC-ISZGNANSSA-N 2 2 336.867 2.243 10 0 EEAELP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000649306741 470539515 /nfs/dbraw/zinc/53/95/15/470539515.db2.gz LZENJMXXHLAFFC-NJAFHUGGSA-N 2 2 338.455 2.106 10 0 EEAELP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC000635535478 470639857 /nfs/dbraw/zinc/63/98/57/470639857.db2.gz NQPPOYUNHTYDLC-HZPDHXFCSA-N 2 2 328.416 2.482 10 0 EEAELP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC000635535478 470639860 /nfs/dbraw/zinc/63/98/60/470639860.db2.gz NQPPOYUNHTYDLC-HZPDHXFCSA-N 2 2 328.416 2.482 10 0 EEAELP CC[N@H+](CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)Cc1ccccc1Cl ZINC000646912181 470773233 /nfs/dbraw/zinc/77/32/33/470773233.db2.gz OSWSAHWNXCZMBF-RDJZCZTQSA-N 2 2 335.879 2.324 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)Cc1ccccc1Cl ZINC000646912181 470773236 /nfs/dbraw/zinc/77/32/36/470773236.db2.gz OSWSAHWNXCZMBF-RDJZCZTQSA-N 2 2 335.879 2.324 10 0 EEAELP CC[NH+](CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)Cc1ccccc1Cl ZINC000646912181 470773240 /nfs/dbraw/zinc/77/32/40/470773240.db2.gz OSWSAHWNXCZMBF-RDJZCZTQSA-N 2 2 335.879 2.324 10 0 EEAELP CC[NH+](CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21)Cc1ccccc1Cl ZINC000646912181 470773245 /nfs/dbraw/zinc/77/32/45/470773245.db2.gz OSWSAHWNXCZMBF-RDJZCZTQSA-N 2 2 335.879 2.324 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647339845 470884370 /nfs/dbraw/zinc/88/43/70/470884370.db2.gz BEXINFWGNSTDLS-YVWKXTFCSA-N 2 2 347.503 2.059 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647339845 470884374 /nfs/dbraw/zinc/88/43/74/470884374.db2.gz BEXINFWGNSTDLS-YVWKXTFCSA-N 2 2 347.503 2.059 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1F ZINC000647528153 470923389 /nfs/dbraw/zinc/92/33/89/470923389.db2.gz PNNVEULJTDGVGK-VPWXQRGCSA-N 2 2 346.446 2.330 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1F ZINC000647528153 470923393 /nfs/dbraw/zinc/92/33/93/470923393.db2.gz PNNVEULJTDGVGK-VPWXQRGCSA-N 2 2 346.446 2.330 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000650714799 470948643 /nfs/dbraw/zinc/94/86/43/470948643.db2.gz CSBBIJRUHCGDGP-RHSMWYFYSA-N 2 2 334.851 2.321 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000650714799 470948648 /nfs/dbraw/zinc/94/86/48/470948648.db2.gz CSBBIJRUHCGDGP-RHSMWYFYSA-N 2 2 334.851 2.321 10 0 EEAELP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000647814768 470991171 /nfs/dbraw/zinc/99/11/71/470991171.db2.gz FCQZZNGSDDTUKJ-GFCCVEGCSA-N 2 2 333.398 2.004 10 0 EEAELP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000647814768 470991174 /nfs/dbraw/zinc/99/11/74/470991174.db2.gz FCQZZNGSDDTUKJ-GFCCVEGCSA-N 2 2 333.398 2.004 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000647900868 471011757 /nfs/dbraw/zinc/01/17/57/471011757.db2.gz GGEVRJIEWVMLRM-SOUVJXGZSA-N 2 2 347.425 2.251 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000647900868 471011760 /nfs/dbraw/zinc/01/17/60/471011760.db2.gz GGEVRJIEWVMLRM-SOUVJXGZSA-N 2 2 347.425 2.251 10 0 EEAELP c1cnc(N2CC[NH+](CCC[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)nc1 ZINC000638353590 471053345 /nfs/dbraw/zinc/05/33/45/471053345.db2.gz XGAKBQWQGKDYKC-KURKYZTESA-N 2 2 329.492 2.015 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651198838 471087876 /nfs/dbraw/zinc/08/78/76/471087876.db2.gz KWSZQDYSPJNMTJ-UHFFFAOYSA-N 2 2 340.471 2.352 10 0 EEAELP CN(C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000654663684 471120178 /nfs/dbraw/zinc/12/01/78/471120178.db2.gz USFHYDFYLUGJNI-UAGQMJEPSA-N 2 2 341.459 2.481 10 0 EEAELP CC(C)n1cc(C[NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801642 471235281 /nfs/dbraw/zinc/23/52/81/471235281.db2.gz UVHILNBVXDWCKL-FQEVSTJZSA-N 2 2 341.503 2.370 10 0 EEAELP CC(C)n1cc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801642 471235284 /nfs/dbraw/zinc/23/52/84/471235284.db2.gz UVHILNBVXDWCKL-FQEVSTJZSA-N 2 2 341.503 2.370 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000657801218 471235949 /nfs/dbraw/zinc/23/59/49/471235949.db2.gz OYWABQMPEAIVKB-WOJBJXKFSA-N 2 2 343.515 2.494 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000657801218 471235952 /nfs/dbraw/zinc/23/59/52/471235952.db2.gz OYWABQMPEAIVKB-WOJBJXKFSA-N 2 2 343.515 2.494 10 0 EEAELP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCO1 ZINC000657802404 471236407 /nfs/dbraw/zinc/23/64/07/471236407.db2.gz ZSVHMXXFAZEMEH-XUVXKRRUSA-N 2 2 331.504 2.350 10 0 EEAELP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCO1 ZINC000657802404 471236409 /nfs/dbraw/zinc/23/64/09/471236409.db2.gz ZSVHMXXFAZEMEH-XUVXKRRUSA-N 2 2 331.504 2.350 10 0 EEAELP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658056483 471263491 /nfs/dbraw/zinc/26/34/91/471263491.db2.gz LMHXRSHUZLOCJS-HIFRSBDPSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658056483 471263494 /nfs/dbraw/zinc/26/34/94/471263494.db2.gz LMHXRSHUZLOCJS-HIFRSBDPSA-N 2 2 339.505 2.118 10 0 EEAELP COc1ccc(C2CC[NH+](Cc3nc(C(C)(C)[NH3+])no3)CC2)nc1 ZINC000652344595 471274638 /nfs/dbraw/zinc/27/46/38/471274638.db2.gz PKNJALOIKXVOSX-UHFFFAOYSA-N 2 2 331.420 2.047 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C[NH3+] ZINC000652358328 471278998 /nfs/dbraw/zinc/27/89/98/471278998.db2.gz WWJBBJNOORJCSV-GVDBMIGSSA-N 2 2 333.476 2.234 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C[C@H]1C[NH3+] ZINC000652358328 471278999 /nfs/dbraw/zinc/27/89/99/471278999.db2.gz WWJBBJNOORJCSV-GVDBMIGSSA-N 2 2 333.476 2.234 10 0 EEAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000652713722 471338755 /nfs/dbraw/zinc/33/87/55/471338755.db2.gz VXMYDGWLNHNWKV-BRWVUGGUSA-N 2 2 326.444 2.393 10 0 EEAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000652713722 471338760 /nfs/dbraw/zinc/33/87/60/471338760.db2.gz VXMYDGWLNHNWKV-BRWVUGGUSA-N 2 2 326.444 2.393 10 0 EEAELP Cc1nc(NCCCC[NH+]2CCOCC2)c(Br)c(C)[nH+]1 ZINC000663390898 471353033 /nfs/dbraw/zinc/35/30/33/471353033.db2.gz BTCQNQDIBKQYJR-UHFFFAOYSA-N 2 2 343.269 2.380 10 0 EEAELP COCC[N@@H+]1CCCN(c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663391144 471353991 /nfs/dbraw/zinc/35/39/91/471353991.db2.gz MVRLZMREEWXNKB-UHFFFAOYSA-N 2 2 343.269 2.014 10 0 EEAELP COCC[N@H+]1CCCN(c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663391144 471353992 /nfs/dbraw/zinc/35/39/92/471353992.db2.gz MVRLZMREEWXNKB-UHFFFAOYSA-N 2 2 343.269 2.014 10 0 EEAELP Cc1[nH+]c2cc(OCC(=O)NC3CC[NH+](C4CC4)CC3)ccc2n1C ZINC000664046892 471620959 /nfs/dbraw/zinc/62/09/59/471620959.db2.gz RVCFQHDXKCHFIO-UHFFFAOYSA-N 2 2 342.443 2.004 10 0 EEAELP C[C@H](c1ccccc1)[C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664299087 471711241 /nfs/dbraw/zinc/71/12/41/471711241.db2.gz NENZEALKDLJSSI-IRXDYDNUSA-N 2 2 334.508 2.361 10 0 EEAELP C[C@H](c1ccccc1)[C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664299087 471711243 /nfs/dbraw/zinc/71/12/43/471711243.db2.gz NENZEALKDLJSSI-IRXDYDNUSA-N 2 2 334.508 2.361 10 0 EEAELP C[C@H]1c2ccccc2C[C@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000664537907 471786009 /nfs/dbraw/zinc/78/60/09/471786009.db2.gz UFUFWDLYIACKEK-HNAYVOBHSA-N 2 2 344.503 2.040 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000667681415 471864553 /nfs/dbraw/zinc/86/45/53/471864553.db2.gz IYUKJNSJBXXCDA-CQSZACIVSA-N 2 2 348.413 2.372 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000667681415 471864559 /nfs/dbraw/zinc/86/45/59/471864559.db2.gz IYUKJNSJBXXCDA-CQSZACIVSA-N 2 2 348.413 2.372 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868312 471883936 /nfs/dbraw/zinc/88/39/36/471883936.db2.gz NTFNQKBNBVSHEM-SFHVURJKSA-N 2 2 342.487 2.287 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868312 471883939 /nfs/dbraw/zinc/88/39/39/471883939.db2.gz NTFNQKBNBVSHEM-SFHVURJKSA-N 2 2 342.487 2.287 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868312 471883944 /nfs/dbraw/zinc/88/39/44/471883944.db2.gz NTFNQKBNBVSHEM-SFHVURJKSA-N 2 2 342.487 2.287 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868312 471883948 /nfs/dbraw/zinc/88/39/48/471883948.db2.gz NTFNQKBNBVSHEM-SFHVURJKSA-N 2 2 342.487 2.287 10 0 EEAELP C[C@@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000660280824 471926932 /nfs/dbraw/zinc/92/69/32/471926932.db2.gz BPZVGTYETSEJPD-GJZGRUSLSA-N 2 2 341.459 2.227 10 0 EEAELP C[C@@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000660280824 471926933 /nfs/dbraw/zinc/92/69/33/471926933.db2.gz BPZVGTYETSEJPD-GJZGRUSLSA-N 2 2 341.459 2.227 10 0 EEAELP C[C@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1[nH+]ccn1C ZINC000660323313 471942236 /nfs/dbraw/zinc/94/22/36/471942236.db2.gz ROHRKHXLWYMQMF-HNNXBMFYSA-N 2 2 341.459 2.229 10 0 EEAELP C[C@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1[nH+]ccn1C ZINC000660323313 471942239 /nfs/dbraw/zinc/94/22/39/471942239.db2.gz ROHRKHXLWYMQMF-HNNXBMFYSA-N 2 2 341.459 2.229 10 0 EEAELP C[C@H](NC(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1[nH+]ccn1C ZINC000662094402 471983540 /nfs/dbraw/zinc/98/35/40/471983540.db2.gz BDEYWNLFTOZENQ-AWEZNQCLSA-N 2 2 333.436 2.238 10 0 EEAELP C[C@H](NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1[nH+]ccn1C ZINC000662094402 471983542 /nfs/dbraw/zinc/98/35/42/471983542.db2.gz BDEYWNLFTOZENQ-AWEZNQCLSA-N 2 2 333.436 2.238 10 0 EEAELP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665562033 472094771 /nfs/dbraw/zinc/09/47/71/472094771.db2.gz GVVMDDADBDXAGE-OAHLLOKOSA-N 2 2 338.455 2.427 10 0 EEAELP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665562033 472094775 /nfs/dbraw/zinc/09/47/75/472094775.db2.gz GVVMDDADBDXAGE-OAHLLOKOSA-N 2 2 338.455 2.427 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[N@H+](C)Cc1ccccc1 ZINC000668568682 472178564 /nfs/dbraw/zinc/17/85/64/472178564.db2.gz JMVNLYNDXKYDDK-ZBFHGGJFSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000668568682 472178568 /nfs/dbraw/zinc/17/85/68/472178568.db2.gz JMVNLYNDXKYDDK-ZBFHGGJFSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000668568682 472178571 /nfs/dbraw/zinc/17/85/71/472178571.db2.gz JMVNLYNDXKYDDK-ZBFHGGJFSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000668568682 472178578 /nfs/dbraw/zinc/17/85/78/472178578.db2.gz JMVNLYNDXKYDDK-ZBFHGGJFSA-N 2 2 326.444 2.151 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000629570629 485735942 /nfs/dbraw/zinc/73/59/42/485735942.db2.gz FKCCUMWNCKJGIH-UHFFFAOYSA-N 2 2 335.473 2.487 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)Cc1csc(-c2ccc(OC)cc2)n1 ZINC000629570629 485735950 /nfs/dbraw/zinc/73/59/50/485735950.db2.gz FKCCUMWNCKJGIH-UHFFFAOYSA-N 2 2 335.473 2.487 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596687 485738710 /nfs/dbraw/zinc/73/87/10/485738710.db2.gz UFBXFLDZENUSDJ-DOPJRALCSA-N 2 2 335.879 2.276 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596687 485738716 /nfs/dbraw/zinc/73/87/16/485738716.db2.gz UFBXFLDZENUSDJ-DOPJRALCSA-N 2 2 335.879 2.276 10 0 EEAELP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631065920 485764246 /nfs/dbraw/zinc/76/42/46/485764246.db2.gz WUVREBAMQCZNQC-GOSISDBHSA-N 2 2 343.475 2.056 10 0 EEAELP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)c1 ZINC000631065920 485764253 /nfs/dbraw/zinc/76/42/53/485764253.db2.gz WUVREBAMQCZNQC-GOSISDBHSA-N 2 2 343.475 2.056 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNc2nccn3nc(C4CC4)cc23)CC1 ZINC000631147649 485775087 /nfs/dbraw/zinc/77/50/87/485775087.db2.gz NOIZFSKKJKNVAV-UHFFFAOYSA-N 2 2 328.464 2.045 10 0 EEAELP CO[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684373869 485862809 /nfs/dbraw/zinc/86/28/09/485862809.db2.gz DDFAOXXVQLIAGS-HKUYNNGSSA-N 3 2 332.492 2.141 10 0 EEAELP CN(C[C@H]1CC=CCC1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680082923 485883572 /nfs/dbraw/zinc/88/35/72/485883572.db2.gz BDRQDWPGUWNJIG-IRXDYDNUSA-N 2 2 334.508 2.153 10 0 EEAELP CN(C[C@H]1CC=CCC1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680082923 485883577 /nfs/dbraw/zinc/88/35/77/485883577.db2.gz BDRQDWPGUWNJIG-IRXDYDNUSA-N 2 2 334.508 2.153 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc[nH]c3C3CCC3)C2)CC1 ZINC000685191280 486087154 /nfs/dbraw/zinc/08/71/54/486087154.db2.gz YJNBQLQWSPCUCE-HNNXBMFYSA-N 2 2 330.476 2.181 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc[nH]c3C3CCC3)C2)CC1 ZINC000685191280 486087160 /nfs/dbraw/zinc/08/71/60/486087160.db2.gz YJNBQLQWSPCUCE-HNNXBMFYSA-N 2 2 330.476 2.181 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(s1)CCC2 ZINC000675886431 486089508 /nfs/dbraw/zinc/08/95/08/486089508.db2.gz RQVPPBUOGXHBOV-NVXWUHKLSA-N 2 2 349.544 2.294 10 0 EEAELP CCC[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1CCOC ZINC000678005161 486547231 /nfs/dbraw/zinc/54/72/31/486547231.db2.gz IXUPESOBZSGDRG-INIZCTEOSA-N 2 2 345.447 2.299 10 0 EEAELP CCC[C@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1CCOC ZINC000678005161 486547240 /nfs/dbraw/zinc/54/72/40/486547240.db2.gz IXUPESOBZSGDRG-INIZCTEOSA-N 2 2 345.447 2.299 10 0 EEAELP Cc1nc(N2CC[NH+](CCC(=O)OCc3ccccc3)CC2)cc[nH+]1 ZINC000183780227 534756958 /nfs/dbraw/zinc/75/69/58/534756958.db2.gz OAKSVCPOZFTHLL-UHFFFAOYSA-N 2 2 340.427 2.041 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000363366360 527444373 /nfs/dbraw/zinc/44/43/73/527444373.db2.gz CSOQXZDRPXTHKR-CYBMUJFWSA-N 2 2 330.436 2.140 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000363366360 527444380 /nfs/dbraw/zinc/44/43/80/527444380.db2.gz CSOQXZDRPXTHKR-CYBMUJFWSA-N 2 2 330.436 2.140 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NCc1[nH+]ccn1CC(F)(F)F ZINC000729373512 576637937 /nfs/dbraw/zinc/63/79/37/576637937.db2.gz FRXNIRDGGFISHI-UHFFFAOYSA-N 2 2 332.370 2.328 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)OCc3c[nH+]cn3C)cc2F)CC1 ZINC000777321911 577476631 /nfs/dbraw/zinc/47/66/31/577476631.db2.gz CWRSHJPQAJSENO-UHFFFAOYSA-N 2 2 346.406 2.058 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc[nH]1 ZINC000760353427 577661388 /nfs/dbraw/zinc/66/13/88/577661388.db2.gz DESHVUBYTXPSDP-PMRDEQMMSA-N 2 2 345.491 2.028 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccc[nH]1 ZINC000760353427 577661389 /nfs/dbraw/zinc/66/13/89/577661389.db2.gz DESHVUBYTXPSDP-PMRDEQMMSA-N 2 2 345.491 2.028 10 0 EEAELP CC(C)c1ocnc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000742010084 578126641 /nfs/dbraw/zinc/12/66/41/578126641.db2.gz APBBHSFLPLDSQA-UHFFFAOYSA-N 2 2 348.491 2.478 10 0 EEAELP CC(C)[C@@H](C(=O)NCc1nc(C[NH+](C)C)cs1)[NH+]1CCCCC1 ZINC000927772569 682138482 /nfs/dbraw/zinc/13/84/82/682138482.db2.gz WYMZZGNZIMUOCC-INIZCTEOSA-N 2 2 338.521 2.331 10 0 EEAELP CCNc1ccc(C)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896325385 684937906 /nfs/dbraw/zinc/93/79/06/684937906.db2.gz PGFKBQZMYRCDOO-MRXNPFEDSA-N 2 2 344.503 2.325 10 0 EEAELP CCNc1ccc(C)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896325385 684937908 /nfs/dbraw/zinc/93/79/08/684937908.db2.gz PGFKBQZMYRCDOO-MRXNPFEDSA-N 2 2 344.503 2.325 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931310145 684949541 /nfs/dbraw/zinc/94/95/41/684949541.db2.gz IMYOICNYVODOSX-FFZOFVMBSA-N 2 2 343.471 2.074 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931310145 684949542 /nfs/dbraw/zinc/94/95/42/684949542.db2.gz IMYOICNYVODOSX-FFZOFVMBSA-N 2 2 343.471 2.074 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000931310145 684949544 /nfs/dbraw/zinc/94/95/44/684949544.db2.gz IMYOICNYVODOSX-FFZOFVMBSA-N 2 2 343.471 2.074 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000931310145 684949545 /nfs/dbraw/zinc/94/95/45/684949545.db2.gz IMYOICNYVODOSX-FFZOFVMBSA-N 2 2 343.471 2.074 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001485704251 1191898996 /nfs/dbraw/zinc/89/89/96/1191898996.db2.gz KUEKYVCWGJOHOY-UYTYNIKBSA-N 2 2 344.503 2.273 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001485698586 1191904200 /nfs/dbraw/zinc/90/42/00/1191904200.db2.gz SUPZMORRGFXKJZ-UMVBOHGHSA-N 2 2 340.418 2.364 10 0 EEAELP Cc1cc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)on1 ZINC001480882471 1176799713 /nfs/dbraw/zinc/79/97/13/1176799713.db2.gz LIUOPUXLXPBFSO-UHFFFAOYSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1cc(C[N@@H+](C)CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)on1 ZINC001480882471 1176799722 /nfs/dbraw/zinc/79/97/22/1176799722.db2.gz LIUOPUXLXPBFSO-UHFFFAOYSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)on1 ZINC001480882471 1176799731 /nfs/dbraw/zinc/79/97/31/1176799731.db2.gz LIUOPUXLXPBFSO-UHFFFAOYSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)on1 ZINC001480882471 1176799736 /nfs/dbraw/zinc/79/97/36/1176799736.db2.gz LIUOPUXLXPBFSO-UHFFFAOYSA-N 2 2 336.480 2.184 10 0 EEAELP CN(CC[NH2+]Cc1ccc(F)cc1Cl)C(=O)CCn1cc[nH+]c1 ZINC001266794636 1177439642 /nfs/dbraw/zinc/43/96/42/1177439642.db2.gz XJHGNSCQJDHHAW-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001691096066 1177569110 /nfs/dbraw/zinc/56/91/10/1177569110.db2.gz TYOWSOGIGOBJRA-RVKKMQEKSA-N 2 2 347.507 2.465 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001691096066 1177569114 /nfs/dbraw/zinc/56/91/14/1177569114.db2.gz TYOWSOGIGOBJRA-RVKKMQEKSA-N 2 2 347.507 2.465 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691146125 1177636608 /nfs/dbraw/zinc/63/66/08/1177636608.db2.gz NQIURPILNCHSCZ-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP COCCCC[N@H+]1CC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001691146125 1177636610 /nfs/dbraw/zinc/63/66/10/1177636610.db2.gz NQIURPILNCHSCZ-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001266870890 1177660462 /nfs/dbraw/zinc/66/04/62/1177660462.db2.gz VQVVIIOCGVNKHM-CHWSQXEVSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001266870890 1177660468 /nfs/dbraw/zinc/66/04/68/1177660468.db2.gz VQVVIIOCGVNKHM-CHWSQXEVSA-N 2 2 328.407 2.072 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC001266886150 1177708530 /nfs/dbraw/zinc/70/85/30/1177708530.db2.gz KBPRWXMTHMALET-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP CN(CC[NH2+]CCc1c(F)cccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001691352220 1177952099 /nfs/dbraw/zinc/95/20/99/1177952099.db2.gz PFBWRJHXPAEBFA-ZIAGYGMSSA-N 2 2 348.397 2.082 10 0 EEAELP CN(CC[NH2+]CCc1c(F)cccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001691352220 1177952107 /nfs/dbraw/zinc/95/21/07/1177952107.db2.gz PFBWRJHXPAEBFA-ZIAGYGMSSA-N 2 2 348.397 2.082 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001267389926 1178954301 /nfs/dbraw/zinc/95/43/01/1178954301.db2.gz HPVCSQVDOJCDAW-OWCLPIDISA-N 2 2 331.460 2.117 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001267390120 1178955517 /nfs/dbraw/zinc/95/55/17/1178955517.db2.gz KNLMKFQXHKBZHE-UHFFFAOYSA-N 2 2 345.418 2.063 10 0 EEAELP CN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267391445 1178958144 /nfs/dbraw/zinc/95/81/44/1178958144.db2.gz WPATVUWKBSBWDU-CQSZACIVSA-N 2 2 330.432 2.040 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1 ZINC001267439342 1179012682 /nfs/dbraw/zinc/01/26/82/1179012682.db2.gz CYVSTFKHYAZDCB-ZDUSSCGKSA-N 2 2 334.851 2.490 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]Cc1ccc(Cl)cc1 ZINC001267439342 1179012688 /nfs/dbraw/zinc/01/26/88/1179012688.db2.gz CYVSTFKHYAZDCB-ZDUSSCGKSA-N 2 2 334.851 2.490 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)oc1C ZINC001267474346 1179108338 /nfs/dbraw/zinc/10/83/38/1179108338.db2.gz QIWVYFZGHKZEIL-GOSISDBHSA-N 2 2 344.459 2.142 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)CCCC[NH+](C)C)cs1 ZINC001481066428 1179669170 /nfs/dbraw/zinc/66/91/70/1179669170.db2.gz UPCBVQZVSRCWCQ-INIZCTEOSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)CCCC[NH+](C)C)cs1 ZINC001481066428 1179669172 /nfs/dbraw/zinc/66/91/72/1179669172.db2.gz UPCBVQZVSRCWCQ-INIZCTEOSA-N 2 2 338.521 2.264 10 0 EEAELP CC[C@H](C)C[N@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001481169424 1179976034 /nfs/dbraw/zinc/97/60/34/1179976034.db2.gz ODXFOKOAJOVEFC-KBXCAEBGSA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@H](C)C[N@@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001481169424 1179976040 /nfs/dbraw/zinc/97/60/40/1179976040.db2.gz ODXFOKOAJOVEFC-KBXCAEBGSA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@H](C)C[NH+](CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001481169424 1179976046 /nfs/dbraw/zinc/97/60/46/1179976046.db2.gz ODXFOKOAJOVEFC-KBXCAEBGSA-N 2 2 347.507 2.417 10 0 EEAELP CC[C@H](C)C[NH+](CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001481169424 1179976054 /nfs/dbraw/zinc/97/60/54/1179976054.db2.gz ODXFOKOAJOVEFC-KBXCAEBGSA-N 2 2 347.507 2.417 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)Cc2c[nH+]cn2C)cc1 ZINC001267970762 1180876362 /nfs/dbraw/zinc/87/63/62/1180876362.db2.gz VCSIZEBXDCWJQI-GOSISDBHSA-N 2 2 340.471 2.094 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1)[NH+](C)C ZINC001481729644 1182398240 /nfs/dbraw/zinc/39/82/40/1182398240.db2.gz DEECSLFEVNSMNO-GDBMZVCRSA-N 2 2 339.430 2.338 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1)[NH+](C)C ZINC001481729644 1182398245 /nfs/dbraw/zinc/39/82/45/1182398245.db2.gz DEECSLFEVNSMNO-GDBMZVCRSA-N 2 2 339.430 2.338 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268404744 1182514415 /nfs/dbraw/zinc/51/44/15/1182514415.db2.gz KHRJYPKHVQZKTJ-UONOGXRCSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268404744 1182514420 /nfs/dbraw/zinc/51/44/20/1182514420.db2.gz KHRJYPKHVQZKTJ-UONOGXRCSA-N 2 2 332.423 2.412 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001481752523 1182550224 /nfs/dbraw/zinc/55/02/24/1182550224.db2.gz DHFBWOOTZIGOCQ-QGZVFWFLSA-N 2 2 349.523 2.011 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001481752523 1182550232 /nfs/dbraw/zinc/55/02/32/1182550232.db2.gz DHFBWOOTZIGOCQ-QGZVFWFLSA-N 2 2 349.523 2.011 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001481752523 1182550239 /nfs/dbraw/zinc/55/02/39/1182550239.db2.gz DHFBWOOTZIGOCQ-QGZVFWFLSA-N 2 2 349.523 2.011 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001481752523 1182550247 /nfs/dbraw/zinc/55/02/47/1182550247.db2.gz DHFBWOOTZIGOCQ-QGZVFWFLSA-N 2 2 349.523 2.011 10 0 EEAELP CCCCCC[NH+]1CC(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001268466057 1182793714 /nfs/dbraw/zinc/79/37/14/1182793714.db2.gz ASLPKJZJKURAMC-UHFFFAOYSA-N 2 2 327.432 2.262 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001481861007 1182827379 /nfs/dbraw/zinc/82/73/79/1182827379.db2.gz HCCRZBNQXYAMHG-QAPCUYQASA-N 2 2 340.471 2.242 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CCCC1CCC1 ZINC001482117214 1183349553 /nfs/dbraw/zinc/34/95/53/1183349553.db2.gz GJBFEOGCWZROHJ-WBVHZDCISA-N 2 2 332.492 2.368 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C[NH2+]CC=C(Cl)Cl ZINC001482119107 1183355884 /nfs/dbraw/zinc/35/58/84/1183355884.db2.gz TWMKMRIKWDKLLT-NWDGAFQWSA-N 2 2 345.274 2.106 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001482164585 1183490759 /nfs/dbraw/zinc/49/07/59/1183490759.db2.gz WEOLMWBHHWSADZ-TZMCWYRMSA-N 2 2 342.434 2.428 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001268610225 1183519354 /nfs/dbraw/zinc/51/93/54/1183519354.db2.gz VSRDLLCLTALADI-YYZONTRBSA-N 2 2 342.418 2.431 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@H+]1CCCCCF ZINC001269234681 1184081920 /nfs/dbraw/zinc/08/19/20/1184081920.db2.gz CZQQBMOXSQWXPM-INIZCTEOSA-N 2 2 336.455 2.092 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@@H+]1CCCCCF ZINC001269234681 1184081927 /nfs/dbraw/zinc/08/19/27/1184081927.db2.gz CZQQBMOXSQWXPM-INIZCTEOSA-N 2 2 336.455 2.092 10 0 EEAELP COCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001269700526 1184530676 /nfs/dbraw/zinc/53/06/76/1184530676.db2.gz ZNYKPQCNSYUFKZ-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP COCCC[N@H+]1CCC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001269700526 1184530683 /nfs/dbraw/zinc/53/06/83/1184530683.db2.gz ZNYKPQCNSYUFKZ-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC001269770707 1184609030 /nfs/dbraw/zinc/60/90/30/1184609030.db2.gz QVUQTUXISWOEDO-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)CCc1c[nH+]cn1C ZINC001671256694 1185039374 /nfs/dbraw/zinc/03/93/74/1185039374.db2.gz JDXSKOMNFANLCM-HZPDHXFCSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCCc2ccccc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482373913 1185544345 /nfs/dbraw/zinc/54/43/45/1185544345.db2.gz KVQMMHPWZHKJAT-QAPCUYQASA-N 2 2 326.444 2.397 10 0 EEAELP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482446003 1185760957 /nfs/dbraw/zinc/76/09/57/1185760957.db2.gz NGOVIHFWPSGALK-VMLVWOMUSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482446003 1185760961 /nfs/dbraw/zinc/76/09/61/1185760961.db2.gz NGOVIHFWPSGALK-VMLVWOMUSA-N 2 2 337.508 2.034 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001280408299 1186329226 /nfs/dbraw/zinc/32/92/26/1186329226.db2.gz ARZIJXKTPYZDJJ-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001280408299 1186329230 /nfs/dbraw/zinc/32/92/30/1186329230.db2.gz ARZIJXKTPYZDJJ-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001280408299 1186329235 /nfs/dbraw/zinc/32/92/35/1186329235.db2.gz ARZIJXKTPYZDJJ-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001280408299 1186329240 /nfs/dbraw/zinc/32/92/40/1186329240.db2.gz ARZIJXKTPYZDJJ-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP CCCC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001271846814 1186548630 /nfs/dbraw/zinc/54/86/30/1186548630.db2.gz UIYSQKYAVDQAPS-IAGOWNOFSA-N 2 2 335.496 2.321 10 0 EEAELP CCCC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001271846814 1186548635 /nfs/dbraw/zinc/54/86/35/1186548635.db2.gz UIYSQKYAVDQAPS-IAGOWNOFSA-N 2 2 335.496 2.321 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001482693319 1187659988 /nfs/dbraw/zinc/65/99/88/1187659988.db2.gz LWLLZAHYTWQPGM-GOEBONIOSA-N 2 2 346.500 2.439 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001482696031 1187666129 /nfs/dbraw/zinc/66/61/29/1187666129.db2.gz BJGFMKAVDYIMGP-KBPBESRZSA-N 2 2 346.397 2.490 10 0 EEAELP CCN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)Cc1[nH]c[nH+]c1C ZINC001482966269 1187902810 /nfs/dbraw/zinc/90/28/10/1187902810.db2.gz XHANUJCYLYUWRK-KRWDZBQOSA-N 2 2 326.444 2.386 10 0 EEAELP Cc1ccc(F)c(C[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001691556318 1188262053 /nfs/dbraw/zinc/26/20/53/1188262053.db2.gz ULLXDEMAICLBFZ-UHFFFAOYSA-N 2 2 332.423 2.383 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483142279 1188729740 /nfs/dbraw/zinc/72/97/40/1188729740.db2.gz PXXAYFDGRIDGKV-GDOYXMMASA-N 2 2 338.455 2.253 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC=C(Cl)Cl ZINC001485923528 1193641451 /nfs/dbraw/zinc/64/14/51/1193641451.db2.gz HHQKOKUYBLFOQL-QJPTWQEYSA-N 2 2 345.274 2.279 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483353678 1190390027 /nfs/dbraw/zinc/39/00/27/1190390027.db2.gz UGOMSGOPOVMTQP-GOEBONIOSA-N 2 2 348.491 2.357 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483353678 1190390029 /nfs/dbraw/zinc/39/00/29/1190390029.db2.gz UGOMSGOPOVMTQP-GOEBONIOSA-N 2 2 348.491 2.357 10 0 EEAELP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)CCc1c[nH+]cn1C ZINC001483506233 1190521936 /nfs/dbraw/zinc/52/19/36/1190521936.db2.gz KGDQIASDGHSXQR-UHFFFAOYSA-N 2 2 333.263 2.110 10 0 EEAELP CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CC=C(Cl)Cl ZINC001483625361 1190688466 /nfs/dbraw/zinc/68/84/66/1190688466.db2.gz YWKVOLJBZQASDK-CHWSQXEVSA-N 2 2 345.274 2.419 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001272465353 1190836918 /nfs/dbraw/zinc/83/69/18/1190836918.db2.gz DUFSQDGJVGYYJV-JHJVBQTASA-N 2 2 344.381 2.294 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001272465353 1190836920 /nfs/dbraw/zinc/83/69/20/1190836920.db2.gz DUFSQDGJVGYYJV-JHJVBQTASA-N 2 2 344.381 2.294 10 0 EEAELP C[C@@]1(C[NH2+]CC2CC3(CCC3)C2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484113782 1191214255 /nfs/dbraw/zinc/21/42/55/1191214255.db2.gz IUBKWMOVKPDOKK-SFHVURJKSA-N 2 2 330.476 2.361 10 0 EEAELP CO[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001484390437 1191325110 /nfs/dbraw/zinc/32/51/10/1191325110.db2.gz CVUMFLOCCLPHFL-RZFLPCETSA-N 2 2 348.491 2.228 10 0 EEAELP CO[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001484390437 1191325112 /nfs/dbraw/zinc/32/51/12/1191325112.db2.gz CVUMFLOCCLPHFL-RZFLPCETSA-N 2 2 348.491 2.228 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001484550822 1191410252 /nfs/dbraw/zinc/41/02/52/1191410252.db2.gz XNJDEBZGPDKJKD-SFHVURJKSA-N 2 2 340.471 2.332 10 0 EEAELP CCc1cnc(C[NH2+]C2(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CCC2)o1 ZINC001484663017 1191463052 /nfs/dbraw/zinc/46/30/52/1191463052.db2.gz DKHVDFHZEROCRC-HUUCEWRRSA-N 2 2 348.491 2.238 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C)sn1 ZINC001484978720 1191605605 /nfs/dbraw/zinc/60/56/05/1191605605.db2.gz WDJLCMWTTJCJMA-CABCVRRESA-N 2 2 347.488 2.207 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C)sn1 ZINC001484978720 1191605606 /nfs/dbraw/zinc/60/56/06/1191605606.db2.gz WDJLCMWTTJCJMA-CABCVRRESA-N 2 2 347.488 2.207 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccccc1OC1CC1 ZINC001485233569 1191700848 /nfs/dbraw/zinc/70/08/48/1191700848.db2.gz FNNKDKUXEZHTAL-GJZGRUSLSA-N 2 2 342.443 2.107 10 0 EEAELP CC1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]C/C=C\Cl ZINC001486236080 1193762321 /nfs/dbraw/zinc/76/23/21/1193762321.db2.gz LYDAJIBLKADOIP-JLHXHDPKSA-N 2 2 336.867 2.025 10 0 EEAELP CCOCCC[NH2+][C@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC001486244940 1193770822 /nfs/dbraw/zinc/77/08/22/1193770822.db2.gz PVPZIWIUTLEGOD-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP COCC[NH2+]C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C(C)(C)C ZINC001486406272 1193931199 /nfs/dbraw/zinc/93/11/99/1193931199.db2.gz UTMPXKBOKCUGMT-QGZVFWFLSA-N 2 2 344.459 2.253 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC001486519826 1194041282 /nfs/dbraw/zinc/04/12/82/1194041282.db2.gz YDNIZLUTGPYFOR-UHFFFAOYSA-N 2 2 342.418 2.050 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001486519826 1194041287 /nfs/dbraw/zinc/04/12/87/1194041287.db2.gz YDNIZLUTGPYFOR-UHFFFAOYSA-N 2 2 342.418 2.050 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001409976583 1196097122 /nfs/dbraw/zinc/09/71/22/1196097122.db2.gz RBVJSTXNFNMAAE-UONOGXRCSA-N 2 2 330.407 2.220 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H]2CN(C)C(=O)CCCC[NH+](C)C)sn1 ZINC001691674440 1197472492 /nfs/dbraw/zinc/47/24/92/1197472492.db2.gz FUGKXCYJQYJDAY-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H]2CN(C)C(=O)CCCC[NH+](C)C)sn1 ZINC001691674440 1197472495 /nfs/dbraw/zinc/47/24/95/1197472495.db2.gz FUGKXCYJQYJDAY-HNNXBMFYSA-N 2 2 338.521 2.216 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)on1 ZINC001410387725 1197785428 /nfs/dbraw/zinc/78/54/28/1197785428.db2.gz FXRRJSQNROWKFI-DOTOQJQBSA-N 2 2 347.463 2.403 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C ZINC000872149438 1198057736 /nfs/dbraw/zinc/05/77/36/1198057736.db2.gz NXPGWQYOJDMMHF-GXTWGEPZSA-N 2 2 330.350 2.351 10 0 EEAELP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C ZINC000872149438 1198057744 /nfs/dbraw/zinc/05/77/44/1198057744.db2.gz NXPGWQYOJDMMHF-GXTWGEPZSA-N 2 2 330.350 2.351 10 0 EEAELP COCCN(CC1CC[NH+](C)CC1)c1cc(N2CCCCC2)[nH+]cn1 ZINC000865996842 1198448925 /nfs/dbraw/zinc/44/89/25/1198448925.db2.gz SXQIEDUIQKYYOQ-UHFFFAOYSA-N 2 2 347.507 2.262 10 0 EEAELP CC(C)C[C@@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001411115358 1198811209 /nfs/dbraw/zinc/81/12/09/1198811209.db2.gz OGUYGOGQRVBILG-NVXWUHKLSA-N 2 2 334.508 2.471 10 0 EEAELP Cc1cc(C)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC001411275543 1199048628 /nfs/dbraw/zinc/04/86/28/1199048628.db2.gz RCOKXLLKUPETRF-IAGOWNOFSA-N 2 2 341.459 2.414 10 0 EEAELP Cc1cc(C)c(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC001411275543 1199048637 /nfs/dbraw/zinc/04/86/37/1199048637.db2.gz RCOKXLLKUPETRF-IAGOWNOFSA-N 2 2 341.459 2.414 10 0 EEAELP C=C/C=C/CCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000883468121 1202070998 /nfs/dbraw/zinc/07/09/98/1202070998.db2.gz JBMXXVGGYNNOIU-SNAWJCMRSA-N 2 2 334.508 2.368 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCCc1ccccc1 ZINC001274270259 1204981204 /nfs/dbraw/zinc/98/12/04/1204981204.db2.gz MJQJRDUFSXYWIW-AEFFLSMTSA-N 2 2 340.471 2.412 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1C ZINC001411640542 1205468417 /nfs/dbraw/zinc/46/84/17/1205468417.db2.gz MYYULHQNQRCVLY-ZWKOTPCHSA-N 2 2 326.444 2.278 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1C ZINC001411640542 1205468418 /nfs/dbraw/zinc/46/84/18/1205468418.db2.gz MYYULHQNQRCVLY-ZWKOTPCHSA-N 2 2 326.444 2.278 10 0 EEAELP CN(C(=O)NC[C@@]12C[C@@H]1CCCC2)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000924366705 1205965385 /nfs/dbraw/zinc/96/53/85/1205965385.db2.gz SFNPFQDZVIXGSA-XKGZKEIXSA-N 2 2 348.535 2.377 10 0 EEAELP CN(C(=O)NC[C@@]12C[C@@H]1CCCC2)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000924366705 1205965389 /nfs/dbraw/zinc/96/53/89/1205965389.db2.gz SFNPFQDZVIXGSA-XKGZKEIXSA-N 2 2 348.535 2.377 10 0 EEAELP COC1(OC)CC[C@H]1[NH2+]CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000924608876 1206003214 /nfs/dbraw/zinc/00/32/14/1206003214.db2.gz FFNIPKKTTILTNY-LJQANCHMSA-N 2 2 347.503 2.248 10 0 EEAELP Fc1ccc([C@@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)N2CCOCC2)cc1 ZINC000925501649 1206120126 /nfs/dbraw/zinc/12/01/26/1206120126.db2.gz BQDQCMZMOSBGQP-MSOLQXFVSA-N 2 2 333.451 2.073 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000925784738 1206153939 /nfs/dbraw/zinc/15/39/39/1206153939.db2.gz KJRREQCJEPCWFC-SIUPPRGNSA-N 2 2 337.895 2.157 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1CN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000925784738 1206153940 /nfs/dbraw/zinc/15/39/40/1206153940.db2.gz KJRREQCJEPCWFC-SIUPPRGNSA-N 2 2 337.895 2.157 10 0 EEAELP c1nnc([C@@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2cccnc2)[nH]1 ZINC000925809382 1206156221 /nfs/dbraw/zinc/15/62/21/1206156221.db2.gz UJTDPSOENUZYKQ-KRWDZBQOSA-N 2 2 328.464 2.439 10 0 EEAELP CC1(C)CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@H]1[NH3+] ZINC000926030630 1206183665 /nfs/dbraw/zinc/18/36/65/1206183665.db2.gz RJHWAADXWHWYQJ-MRXNPFEDSA-N 2 2 343.431 2.163 10 0 EEAELP CSCCc1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926185207 1206202344 /nfs/dbraw/zinc/20/23/44/1206202344.db2.gz RIVLPAJXKAHREG-UHFFFAOYSA-N 2 2 336.505 2.137 10 0 EEAELP O[C@H](CC[C@@H](O)c1ccccc1)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929991906 1206526676 /nfs/dbraw/zinc/52/66/76/1206526676.db2.gz KXIPCWSNZKIWBP-KZNAEPCWSA-N 2 2 329.444 2.464 10 0 EEAELP O[C@H](CC[C@@H](O)c1ccccc1)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929991906 1206526677 /nfs/dbraw/zinc/52/66/77/1206526677.db2.gz KXIPCWSNZKIWBP-KZNAEPCWSA-N 2 2 329.444 2.464 10 0 EEAELP CCN(C)C(=O)C[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857882 1206588317 /nfs/dbraw/zinc/58/83/17/1206588317.db2.gz IFDZQWCPTKBXNK-CALCHBBNSA-N 2 2 347.503 2.206 10 0 EEAELP CCN(C)C(=O)C[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857882 1206588318 /nfs/dbraw/zinc/58/83/18/1206588318.db2.gz IFDZQWCPTKBXNK-CALCHBBNSA-N 2 2 347.503 2.206 10 0 EEAELP CCN(C)C(=O)C[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857882 1206588319 /nfs/dbraw/zinc/58/83/19/1206588319.db2.gz IFDZQWCPTKBXNK-CALCHBBNSA-N 2 2 347.503 2.206 10 0 EEAELP CCN(C)C(=O)C[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857882 1206588320 /nfs/dbraw/zinc/58/83/20/1206588320.db2.gz IFDZQWCPTKBXNK-CALCHBBNSA-N 2 2 347.503 2.206 10 0 EEAELP c1cc(C[NH+]2CCC([N@@H+]3CCCOCC3)CC2)c2c(c1)COCC2 ZINC000931285996 1206622135 /nfs/dbraw/zinc/62/21/35/1206622135.db2.gz VMAMNCJOTYFOHG-UHFFFAOYSA-N 2 2 330.472 2.446 10 0 EEAELP c1cc(C[NH+]2CCC([N@H+]3CCCOCC3)CC2)c2c(c1)COCC2 ZINC000931285996 1206622136 /nfs/dbraw/zinc/62/21/36/1206622136.db2.gz VMAMNCJOTYFOHG-UHFFFAOYSA-N 2 2 330.472 2.446 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000934622242 1207992294 /nfs/dbraw/zinc/99/22/94/1207992294.db2.gz SPQHMSYELDUHII-BRWVUGGUSA-N 2 2 328.460 2.063 10 0 EEAELP C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000934622874 1207992426 /nfs/dbraw/zinc/99/24/26/1207992426.db2.gz QXWAHHYUHMUQDR-NVXWUHKLSA-N 2 2 333.501 2.337 10 0 EEAELP c1cc(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc(C[NH+]2CCOCC2)c1 ZINC000902754013 1238444618 /nfs/dbraw/zinc/44/46/18/1238444618.db2.gz WNWDFDULJRFVSQ-ALGQRKQJSA-N 2 2 342.483 2.422 10 0 EEAELP C[NH+](C)CCc1cccc(C(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC001413594274 1250463852 /nfs/dbraw/zinc/46/38/52/1250463852.db2.gz XBKYVFRJHKQDCE-UHFFFAOYSA-N 2 2 346.500 2.239 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc2ncccc2c1 ZINC001491486588 1259136458 /nfs/dbraw/zinc/13/64/58/1259136458.db2.gz LDLKFTJEYSKGKY-IAOVAPTHSA-N 2 2 349.438 2.356 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc2ncccc2c1 ZINC001491486588 1259136459 /nfs/dbraw/zinc/13/64/59/1259136459.db2.gz LDLKFTJEYSKGKY-IAOVAPTHSA-N 2 2 349.438 2.356 10 0 EEAELP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001273468835 1278560195 /nfs/dbraw/zinc/56/01/95/1278560195.db2.gz UVHXHXFVAHHFKM-LBPRGKRZSA-N 2 2 345.274 2.203 10 0 EEAELP CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1nc(C)sc1C ZINC001490337756 1291235245 /nfs/dbraw/zinc/23/52/45/1291235245.db2.gz MNBXCAYUDXXIQD-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)Cc1nc(C)sc1C ZINC001490337756 1291235257 /nfs/dbraw/zinc/23/52/57/1291235257.db2.gz MNBXCAYUDXXIQD-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP Cc1ccc(C[N@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C2CC2)c(C)n1 ZINC001490386488 1291274876 /nfs/dbraw/zinc/27/48/76/1291274876.db2.gz UZHLIRPBZLCVCO-UHFFFAOYSA-N 2 2 341.459 2.135 10 0 EEAELP Cc1ccc(C[N@@H+](CCCNC(=O)Cc2c[nH]c[nH+]2)C2CC2)c(C)n1 ZINC001490386488 1291274881 /nfs/dbraw/zinc/27/48/81/1291274881.db2.gz UZHLIRPBZLCVCO-UHFFFAOYSA-N 2 2 341.459 2.135 10 0 EEAELP C[C@@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)c1ccccc1F ZINC001490746175 1291660027 /nfs/dbraw/zinc/66/00/27/1291660027.db2.gz XFWTYCVUAWKJJI-CXAGYDPISA-N 2 2 330.407 2.268 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276996506 1300735931 /nfs/dbraw/zinc/73/59/31/1300735931.db2.gz XZZSTFSMYRQFRH-BRSBDYLESA-N 2 2 338.455 2.240 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276996506 1300735938 /nfs/dbraw/zinc/73/59/38/1300735938.db2.gz XZZSTFSMYRQFRH-BRSBDYLESA-N 2 2 338.455 2.240 10 0 EEAELP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001491556861 1303502389 /nfs/dbraw/zinc/50/23/89/1303502389.db2.gz BZWWSCRCSVPOJX-CRAIPNDOSA-N 2 2 339.524 2.160 10 0 EEAELP CCC(CC)C[NH2+][C@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001491556861 1303502394 /nfs/dbraw/zinc/50/23/94/1303502394.db2.gz BZWWSCRCSVPOJX-CRAIPNDOSA-N 2 2 339.524 2.160 10 0 EEAELP C[C@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]CCc1ccns1 ZINC001277888033 1305020877 /nfs/dbraw/zinc/02/08/77/1305020877.db2.gz VZMGNOQOAIVFED-CYBMUJFWSA-N 2 2 343.456 2.084 10 0 EEAELP COCCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843399740 1315907881 /nfs/dbraw/zinc/90/78/81/1315907881.db2.gz KMBOZNLLTVUBGK-HZPDHXFCSA-N 2 2 343.512 2.190 10 0 EEAELP COCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843399740 1315907884 /nfs/dbraw/zinc/90/78/84/1315907884.db2.gz KMBOZNLLTVUBGK-HZPDHXFCSA-N 2 2 343.512 2.190 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCCC2CCOCC2)C1 ZINC001278595642 1317311262 /nfs/dbraw/zinc/31/12/62/1317311262.db2.gz XILRCTWYLOEZJJ-DLBZAZTESA-N 2 2 348.491 2.034 10 0 EEAELP CCCC[NH2+][C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC001278645103 1317556847 /nfs/dbraw/zinc/55/68/47/1317556847.db2.gz NIUXWFIUAFYDOJ-INIZCTEOSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1CCC[NH2+]CCO ZINC001264018758 1322585681 /nfs/dbraw/zinc/58/56/81/1322585681.db2.gz HVZPEKVTKXTIQW-RDTXWAMCSA-N 2 2 344.459 2.166 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CC[NH2+]Cc1cncs1 ZINC001264520908 1322724333 /nfs/dbraw/zinc/72/43/33/1322724333.db2.gz RCBGDLJYPCDBIK-HOCLYGCPSA-N 2 2 347.488 2.147 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCOC1 ZINC001265119684 1322929560 /nfs/dbraw/zinc/92/95/60/1322929560.db2.gz NGHIKENUPIBSCP-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCOC1 ZINC001265119684 1322929561 /nfs/dbraw/zinc/92/95/61/1322929561.db2.gz NGHIKENUPIBSCP-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH+](CC2CC2)C2CC2)[nH]n1 ZINC001265162700 1322958950 /nfs/dbraw/zinc/95/89/50/1322958950.db2.gz KFOOSITWRDDKMH-SFHVURJKSA-N 2 2 345.491 2.171 10 0 EEAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCCC[NH+](CC2CC2)C2CC2)[nH]n1 ZINC001265162700 1322958952 /nfs/dbraw/zinc/95/89/52/1322958952.db2.gz KFOOSITWRDDKMH-SFHVURJKSA-N 2 2 345.491 2.171 10 0 EEAELP C[NH+]1CCC[C@H]1c1cc(C(=O)NCCC[N@H+](CC2CC2)C2CC2)[nH]n1 ZINC001265162700 1322958955 /nfs/dbraw/zinc/95/89/55/1322958955.db2.gz KFOOSITWRDDKMH-SFHVURJKSA-N 2 2 345.491 2.171 10 0 EEAELP C[NH+]1CCC[C@H]1c1cc(C(=O)NCCC[N@@H+](CC2CC2)C2CC2)[nH]n1 ZINC001265162700 1322958959 /nfs/dbraw/zinc/95/89/59/1322958959.db2.gz KFOOSITWRDDKMH-SFHVURJKSA-N 2 2 345.491 2.171 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001265990559 1323549522 /nfs/dbraw/zinc/54/95/22/1323549522.db2.gz QZKUQCSXHLBTAD-JKSUJKDBSA-N 2 2 336.455 2.023 10 0 EEAELP CO[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001280094167 1324082747 /nfs/dbraw/zinc/08/27/47/1324082747.db2.gz IVEXJFDQVLVBCZ-KBPBESRZSA-N 2 2 330.432 2.040 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001276610254 1324753582 /nfs/dbraw/zinc/75/35/82/1324753582.db2.gz AVHWXKKWICEBNK-WBVHZDCISA-N 2 2 332.492 2.366 10 0 EEAELP COCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC001282992472 1325871556 /nfs/dbraw/zinc/87/15/56/1325871556.db2.gz KRXIBSDMQLTXOX-YTQUADARSA-N 2 2 348.491 2.041 10 0 EEAELP COCCC[N@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@]2(C)C1 ZINC001282992472 1325871561 /nfs/dbraw/zinc/87/15/61/1325871561.db2.gz KRXIBSDMQLTXOX-YTQUADARSA-N 2 2 348.491 2.041 10 0 EEAELP CCn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)n1 ZINC001284154751 1326438474 /nfs/dbraw/zinc/43/84/74/1326438474.db2.gz QACKOBCUPAHEAX-FUHWJXTLSA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)n1 ZINC001284154751 1326438475 /nfs/dbraw/zinc/43/84/75/1326438475.db2.gz QACKOBCUPAHEAX-FUHWJXTLSA-N 2 2 349.523 2.104 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001316632313 1326534393 /nfs/dbraw/zinc/53/43/93/1326534393.db2.gz DRIVZVMBFHLFBH-ULQDDVLXSA-N 2 2 332.492 2.366 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC001491885434 1330289045 /nfs/dbraw/zinc/28/90/45/1330289045.db2.gz WBCYDWVMLNDTTJ-KGLIPLIRSA-N 2 2 347.488 2.026 10 0 EEAELP Cc1ccc2sc(C[N@@H+](C)CCNC(=O)CC[NH+](C)C)nc2c1 ZINC001492402257 1331219191 /nfs/dbraw/zinc/21/91/91/1331219191.db2.gz LUCIAUKFMFWGOS-UHFFFAOYSA-N 2 2 334.489 2.104 10 0 EEAELP Cc1ccc2sc(C[N@H+](C)CCNC(=O)CC[NH+](C)C)nc2c1 ZINC001492402257 1331219194 /nfs/dbraw/zinc/21/91/94/1331219194.db2.gz LUCIAUKFMFWGOS-UHFFFAOYSA-N 2 2 334.489 2.104 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CCC1=CCCCC1 ZINC001317259159 1332156219 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2 2 329.429 2.175 10 0 EEAELP COCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001319692922 1332743398 /nfs/dbraw/zinc/74/33/98/1332743398.db2.gz WNXQZGKTPOFKJP-ZFWWWQNUSA-N 2 2 330.432 2.040 10 0 EEAELP CC[C@@H](C(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1)[NH+](C)C ZINC001323981165 1333583462 /nfs/dbraw/zinc/58/34/62/1333583462.db2.gz JGOUZUAUKLEBKJ-YPMHNXCESA-N 2 2 336.307 2.053 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1 ZINC001324633727 1333728047 /nfs/dbraw/zinc/72/80/47/1333728047.db2.gz WCWRZCSZAFEAIY-IBGZPJMESA-N 2 2 330.476 2.434 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC[N@@H+](CC2=CCCCC2)C1 ZINC001324633727 1333728051 /nfs/dbraw/zinc/72/80/51/1333728051.db2.gz WCWRZCSZAFEAIY-IBGZPJMESA-N 2 2 330.476 2.434 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)C[C@H](NC(=O)C[NH+]1CCC(C)CC1)CO2 ZINC001327413739 1334288300 /nfs/dbraw/zinc/28/83/00/1334288300.db2.gz XLKWTPIAVKVTAN-XDXAGZTOSA-N 2 2 349.519 2.034 10 0 EEAELP 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2 348.491 2.059 10 0 EEAELP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001661942349 1354726294 /nfs/dbraw/zinc/72/62/94/1354726294.db2.gz DNHZUGBPZCTMRN-ZWKOTPCHSA-N 2 2 337.508 2.011 10 0 EEAELP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001661942349 1354726296 /nfs/dbraw/zinc/72/62/96/1354726296.db2.gz DNHZUGBPZCTMRN-ZWKOTPCHSA-N 2 2 337.508 2.011 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCCc1ccsc1 ZINC001662249712 1354768959 /nfs/dbraw/zinc/76/89/59/1354768959.db2.gz OUJIBGMHJCOIKP-NWANDNLSSA-N 2 2 332.473 2.302 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCCc1ccsc1 ZINC001662249712 1354768962 /nfs/dbraw/zinc/76/89/62/1354768962.db2.gz OUJIBGMHJCOIKP-NWANDNLSSA-N 2 2 332.473 2.302 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H](C[NH2+]C/C=C/Cl)C3)ccn12 ZINC001662630955 1354815830 /nfs/dbraw/zinc/81/58/30/1354815830.db2.gz RJTREEJMCHWYAM-JBQRSBCVSA-N 2 2 332.835 2.447 10 0 EEAELP Cc1ncsc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001663114465 1354919287 /nfs/dbraw/zinc/91/92/87/1354919287.db2.gz KRFQYQXIZPTQNK-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1ncsc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001663114465 1354919290 /nfs/dbraw/zinc/91/92/90/1354919290.db2.gz KRFQYQXIZPTQNK-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001664241870 1355120764 /nfs/dbraw/zinc/12/07/64/1355120764.db2.gz XQDAEAGSFSDYLK-INIZCTEOSA-N 2 2 328.460 2.187 10 0 EEAELP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001664241870 1355120771 /nfs/dbraw/zinc/12/07/71/1355120771.db2.gz XQDAEAGSFSDYLK-INIZCTEOSA-N 2 2 328.460 2.187 10 0 EEAELP C[C@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001664441827 1355164896 /nfs/dbraw/zinc/16/48/96/1355164896.db2.gz GYDCNZFPVMPHJV-HOCLYGCPSA-N 2 2 336.455 2.022 10 0 EEAELP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001665641527 1355344549 /nfs/dbraw/zinc/34/45/49/1355344549.db2.gz BMYCYYVWPPSQBO-JKSUJKDBSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001665641527 1355344552 /nfs/dbraw/zinc/34/45/52/1355344552.db2.gz BMYCYYVWPPSQBO-JKSUJKDBSA-N 2 2 336.455 2.118 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C[NH2+]C/C=C/Cl)C1CC1 ZINC001666022269 1355427107 /nfs/dbraw/zinc/42/71/07/1355427107.db2.gz VDOQOFJZXJPRNL-VDNHLIEFSA-N 2 2 336.867 2.151 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001666432867 1355526412 /nfs/dbraw/zinc/52/64/12/1355526412.db2.gz JXCGQLQYLWAVDF-OAZXXZECSA-N 2 2 330.476 2.382 10 0 EEAELP CN(CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)CCc1c[nH]c[nH+]1 ZINC001667574874 1355762482 /nfs/dbraw/zinc/76/24/82/1355762482.db2.gz NRZWXAFRVNWWFZ-GFCCVEGCSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)CCc1c[nH]c[nH+]1 ZINC001667574874 1355762487 /nfs/dbraw/zinc/76/24/87/1355762487.db2.gz NRZWXAFRVNWWFZ-GFCCVEGCSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)CCc1c[nH+]c[nH]1 ZINC001667574874 1355762492 /nfs/dbraw/zinc/76/24/92/1355762492.db2.gz NRZWXAFRVNWWFZ-GFCCVEGCSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)CCc1c[nH+]c[nH]1 ZINC001667574874 1355762496 /nfs/dbraw/zinc/76/24/96/1355762496.db2.gz NRZWXAFRVNWWFZ-GFCCVEGCSA-N 2 2 347.290 2.316 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CCc2ccccc2C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001668224930 1355903434 /nfs/dbraw/zinc/90/34/34/1355903434.db2.gz YNFJGRYWRXOOJQ-JKSUJKDBSA-N 2 2 340.471 2.242 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001669353480 1356148836 /nfs/dbraw/zinc/14/88/36/1356148836.db2.gz SMKRYXCQWUHFHE-OCCSQVGLSA-N 2 2 341.415 2.188 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H]1C[NH2+]CCCc1ccccc1 ZINC001671364209 1356332389 /nfs/dbraw/zinc/33/23/89/1356332389.db2.gz GPHGQESAPCCBJG-KRWDZBQOSA-N 2 2 326.444 2.166 10 0 EEAELP C[C@@]1(C[NH2+]CCc2cccs2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671794144 1356415824 /nfs/dbraw/zinc/41/58/24/1356415824.db2.gz AZTMLGNOPYAFBV-KRWDZBQOSA-N 2 2 332.473 2.085 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001674711250 1356881764 /nfs/dbraw/zinc/88/17/64/1356881764.db2.gz XQCWVRBCJOWGMN-CHWSQXEVSA-N 2 2 335.839 2.005 10 0 EEAELP C[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCCCCF)C1 ZINC001675344017 1356968339 /nfs/dbraw/zinc/96/83/39/1356968339.db2.gz ZQQWNTGBGZAULU-NUEKZKHPSA-N 2 2 336.455 2.100 10 0 EEAELP CN(CCC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)Cc1[nH]cc[nH+]1 ZINC001699540434 1405378677 /nfs/dbraw/zinc/37/86/77/1405378677.db2.gz AIYODPGLKBTTCH-INIZCTEOSA-N 2 2 330.407 2.217 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCCc1ccccc1 ZINC001699766942 1405476708 /nfs/dbraw/zinc/47/67/08/1405476708.db2.gz XYDLRCGWUBJOEI-SFHVURJKSA-N 2 2 326.444 2.097 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000445033261 769507513 /nfs/dbraw/zinc/50/75/13/769507513.db2.gz PIZKMXOMMLROCG-KRWDZBQOSA-N 2 2 347.507 2.431 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC[N@@H+]1C ZINC000920835765 770877558 /nfs/dbraw/zinc/87/75/58/770877558.db2.gz MYZWCMOVOHVUDC-DJIMGWMZSA-N 2 2 341.459 2.096 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)CC[N@H+]1C ZINC000920835765 770877571 /nfs/dbraw/zinc/87/75/71/770877571.db2.gz MYZWCMOVOHVUDC-DJIMGWMZSA-N 2 2 341.459 2.096 10 0 EEAELP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnc1Cl ZINC000821811977 786916840 /nfs/dbraw/zinc/91/68/40/786916840.db2.gz MXUQEKGXOHJLHN-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cnc1Cl ZINC000821811977 786916846 /nfs/dbraw/zinc/91/68/46/786916846.db2.gz MXUQEKGXOHJLHN-UHFFFAOYSA-N 2 2 327.860 2.048 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716636149 796397586 /nfs/dbraw/zinc/39/75/86/796397586.db2.gz HVHASPXNIDGZCJ-SPUZQDLCSA-N 2 2 336.501 2.062 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716636149 796397591 /nfs/dbraw/zinc/39/75/91/796397591.db2.gz HVHASPXNIDGZCJ-SPUZQDLCSA-N 2 2 336.501 2.062 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCc2ccccc21 ZINC001566566754 1125744281 /nfs/dbraw/zinc/74/42/81/1125744281.db2.gz LUCFQJGUNSRFDN-GOSISDBHSA-N 2 2 326.444 2.468 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)[C@@H]1CCc2ccccc21 ZINC001566566754 1125744284 /nfs/dbraw/zinc/74/42/84/1125744284.db2.gz LUCFQJGUNSRFDN-GOSISDBHSA-N 2 2 326.444 2.468 10 0 EEAELP C[C@H]([NH2+]CCC1CCOCC1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001436668368 1088105991 /nfs/dbraw/zinc/10/59/91/1088105991.db2.gz NLAPAGWUSXGCED-WMZOPIPTSA-N 2 2 348.491 2.059 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1CCC([NH2+]C/C(Cl)=C\Cl)CC1 ZINC001437091582 1089044881 /nfs/dbraw/zinc/04/48/81/1089044881.db2.gz NXHSBTNYMSZNHY-YRNVUSSQSA-N 2 2 331.247 2.219 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001437169029 1089190295 /nfs/dbraw/zinc/19/02/95/1089190295.db2.gz JWVHNZXEPQHWJQ-YXMGTMDOSA-N 2 2 339.439 2.440 10 0 EEAELP C[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)Cc1cccc(F)c1 ZINC001437464468 1089785467 /nfs/dbraw/zinc/78/54/67/1089785467.db2.gz BIJHMZYVZYDDRQ-UHFFFAOYSA-N 2 2 344.434 2.149 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)Cc1cccc(F)c1 ZINC001437464468 1089785481 /nfs/dbraw/zinc/78/54/81/1089785481.db2.gz BIJHMZYVZYDDRQ-UHFFFAOYSA-N 2 2 344.434 2.149 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001437531651 1089963137 /nfs/dbraw/zinc/96/31/37/1089963137.db2.gz NWGFWIOHBZMZRZ-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001437531651 1089963149 /nfs/dbraw/zinc/96/31/49/1089963149.db2.gz NWGFWIOHBZMZRZ-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001437531651 1089963162 /nfs/dbraw/zinc/96/31/62/1089963162.db2.gz NWGFWIOHBZMZRZ-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001437531651 1089963178 /nfs/dbraw/zinc/96/31/78/1089963178.db2.gz NWGFWIOHBZMZRZ-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP Cc1cccc(C)c1C[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001437734695 1090292204 /nfs/dbraw/zinc/29/22/04/1090292204.db2.gz BHYKTUZTHRELDF-QGZVFWFLSA-N 2 2 326.444 2.138 10 0 EEAELP Cc1cccc(C)c1C[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001437734695 1090292205 /nfs/dbraw/zinc/29/22/05/1090292205.db2.gz BHYKTUZTHRELDF-QGZVFWFLSA-N 2 2 326.444 2.138 10 0 EEAELP O=C(NCC[N@H+](Cc1cncs1)C1CC1)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001437806336 1090395728 /nfs/dbraw/zinc/39/57/28/1090395728.db2.gz IRRAUDHGTWLTCA-DOTOQJQBSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[N@@H+](Cc1cncs1)C1CC1)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001437806336 1090395734 /nfs/dbraw/zinc/39/57/34/1090395734.db2.gz IRRAUDHGTWLTCA-DOTOQJQBSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001437806336 1090395738 /nfs/dbraw/zinc/39/57/38/1090395738.db2.gz IRRAUDHGTWLTCA-DOTOQJQBSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001437806336 1090395742 /nfs/dbraw/zinc/39/57/42/1090395742.db2.gz IRRAUDHGTWLTCA-DOTOQJQBSA-N 2 2 348.516 2.241 10 0 EEAELP C[C@H](CC(=O)N[C@@](C)(C[NH2+]Cc1cccnc1)C1CC1)n1cc[nH+]c1 ZINC001438423922 1090919671 /nfs/dbraw/zinc/91/96/71/1090919671.db2.gz DKECEMZJSSRYQA-BEFAXECRSA-N 2 2 341.459 2.304 10 0 EEAELP CC[C@@H](F)C[NH+]1CCC(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001438452890 1090960804 /nfs/dbraw/zinc/96/08/04/1090960804.db2.gz LNRMWWOXQTWVCG-MRXNPFEDSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001438554622 1091047885 /nfs/dbraw/zinc/04/78/85/1091047885.db2.gz SAGUBXKKGPUFKO-BLLLJJGKSA-N 2 2 348.397 2.191 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1F)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001438659227 1091146890 /nfs/dbraw/zinc/14/68/90/1091146890.db2.gz FZNYRVFIRSXBTO-LSDHHAIUSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)o1 ZINC001438688065 1091190108 /nfs/dbraw/zinc/19/01/08/1091190108.db2.gz DSVUMAAXOUBCOS-ZBFHGGJFSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001438688065 1091190112 /nfs/dbraw/zinc/19/01/12/1091190112.db2.gz DSVUMAAXOUBCOS-ZBFHGGJFSA-N 2 2 336.480 2.182 10 0 EEAELP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)Cc1c[nH+]cn1C ZINC001438931767 1091612668 /nfs/dbraw/zinc/61/26/68/1091612668.db2.gz JZMWZVBOKUARIQ-SFHVURJKSA-N 2 2 326.444 2.040 10 0 EEAELP CN(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)Cc1c[nH+]cn1C ZINC001438931767 1091612670 /nfs/dbraw/zinc/61/26/70/1091612670.db2.gz JZMWZVBOKUARIQ-SFHVURJKSA-N 2 2 326.444 2.040 10 0 EEAELP C[C@@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001439224963 1091869746 /nfs/dbraw/zinc/86/97/46/1091869746.db2.gz 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EEAELP CO[C@H](C[N@H+]1CC[C@@](C)(NC(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001439860263 1092889365 /nfs/dbraw/zinc/88/93/65/1092889365.db2.gz PTFRYRXSURSZJN-IEBWSBKVSA-N 2 2 348.491 2.128 10 0 EEAELP CCC(CC)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001439976447 1093096945 /nfs/dbraw/zinc/09/69/45/1093096945.db2.gz TZEJCMRICLXSJG-AWEZNQCLSA-N 2 2 342.434 2.462 10 0 EEAELP CCC(CC)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001439976447 1093096953 /nfs/dbraw/zinc/09/69/53/1093096953.db2.gz TZEJCMRICLXSJG-AWEZNQCLSA-N 2 2 342.434 2.462 10 0 EEAELP CCC(CC)C[NH+]1CC2(C1)CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)O2 ZINC001440504408 1093748413 /nfs/dbraw/zinc/74/84/13/1093748413.db2.gz SBMWUKPIVGIQCP-INIZCTEOSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)sn1 ZINC001448731872 1093801969 /nfs/dbraw/zinc/80/19/69/1093801969.db2.gz LVOKXSDNTNGOGU-KBPBESRZSA-N 2 2 335.477 2.236 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 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ZINC001502401578 1113667288 /nfs/dbraw/zinc/66/72/88/1113667288.db2.gz OWXLTCVLIUBBAD-GASCZTMLSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1conc1C[NH2+][C@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001506490982 1114646618 /nfs/dbraw/zinc/64/66/18/1114646618.db2.gz UMMWIBHEECFNAH-OAHLLOKOSA-N 2 2 347.463 2.220 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@@H]2C(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001506798618 1114885671 /nfs/dbraw/zinc/88/56/71/1114885671.db2.gz XSELIXAWZMOMCH-JFVDVKLYSA-N 2 2 342.487 2.096 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@@H]2C(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001506798618 1114885675 /nfs/dbraw/zinc/88/56/75/1114885675.db2.gz XSELIXAWZMOMCH-JFVDVKLYSA-N 2 2 342.487 2.096 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]Cc2cncs2)c[nH+]1 ZINC001506930131 1114981877 /nfs/dbraw/zinc/98/18/77/1114981877.db2.gz VHUZCPNLCTXXIR-ZDUSSCGKSA-N 2 2 349.504 2.458 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CCC[NH2+]Cc1ccncc1Cl ZINC001506945332 1114993734 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10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@H+](C)Cc1cnccc1C)C(C)C ZINC001507816627 1115351122 /nfs/dbraw/zinc/35/11/22/1115351122.db2.gz HOIMHZUMMYLRHL-UHFFFAOYSA-N 2 2 343.475 2.264 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(CC[N@@H+](C)Cc1cnccc1C)C(C)C ZINC001507816627 1115351129 /nfs/dbraw/zinc/35/11/29/1115351129.db2.gz HOIMHZUMMYLRHL-UHFFFAOYSA-N 2 2 343.475 2.264 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001507963033 1115381401 /nfs/dbraw/zinc/38/14/01/1115381401.db2.gz DYMHXBBSOBHCAC-KUTPXYQMSA-N 2 2 338.883 2.319 10 0 EEAELP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CCOC2CCCCCC2)C1 ZINC001508141999 1115426747 /nfs/dbraw/zinc/42/67/47/1115426747.db2.gz IYRYILIZLLGIFX-UHFFFAOYSA-N 2 2 348.491 2.271 10 0 EEAELP COCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001568407725 1124477021 /nfs/dbraw/zinc/47/70/21/1124477021.db2.gz UEMJIOCGRCUFRY-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001568515569 1124578599 /nfs/dbraw/zinc/57/85/99/1124578599.db2.gz MGYKHRISWPIDQB-AEFFLSMTSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@@H]21 ZINC001568515569 1124578604 /nfs/dbraw/zinc/57/86/04/1124578604.db2.gz MGYKHRISWPIDQB-AEFFLSMTSA-N 2 2 332.492 2.466 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001568535606 1124597368 /nfs/dbraw/zinc/59/73/68/1124597368.db2.gz FWVPLGZZVNPFMV-CJNGLKHVSA-N 2 2 332.473 2.131 10 0 EEAELP CCc1onc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568644013 1124656286 /nfs/dbraw/zinc/65/62/86/1124656286.db2.gz JEVDIBHEMINTRV-MRVWCRGKSA-N 2 2 345.447 2.057 10 0 EEAELP CCc1onc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568644013 1124656289 /nfs/dbraw/zinc/65/62/89/1124656289.db2.gz JEVDIBHEMINTRV-MRVWCRGKSA-N 2 2 345.447 2.057 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1 ZINC001568647052 1124659569 /nfs/dbraw/zinc/65/95/69/1124659569.db2.gz UZZQUHSVMOJFFP-AWEZNQCLSA-N 2 2 345.418 2.456 10 0 EEAELP CN(CCC[NH2+]CC1CCC(F)(F)CC1)C(=O)Cn1cc[nH+]c1 ZINC001569271075 1125210441 /nfs/dbraw/zinc/21/04/41/1125210441.db2.gz SJZGHXHHXULWLW-UHFFFAOYSA-N 2 2 328.407 2.147 10 0 EEAELP CC[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCCOC ZINC001569338283 1125238722 /nfs/dbraw/zinc/23/87/22/1125238722.db2.gz KHDDEVXUSMYRSO-ZBFHGGJFSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1cc(C)cc(Oc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)c1 ZINC000040681386 213368343 /nfs/dbraw/zinc/36/83/43/213368343.db2.gz KSMDBYKLWTXLNU-UHFFFAOYSA-N 2 2 328.420 2.042 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@@H](C)[NH+]1CCC[NH+](C)C ZINC000036125037 213071538 /nfs/dbraw/zinc/07/15/38/213071538.db2.gz QMYHJAGLLSTNQQ-QZTJIDSGSA-N 2 2 331.504 2.492 10 0 EEAELP C[C@H]1CN(C(=O)CCc2ccccc2)C[C@H](C)[NH+]1CCC[NH+](C)C ZINC000036125033 213071435 /nfs/dbraw/zinc/07/14/35/213071435.db2.gz QMYHJAGLLSTNQQ-ROUUACIJSA-N 2 2 331.504 2.492 10 0 EEAELP FC(F)(F)COc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422726979 240196393 /nfs/dbraw/zinc/19/63/93/240196393.db2.gz BBHSRALZKXUPBQ-HZPDHXFCSA-N 2 2 344.377 2.484 10 0 EEAELP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422730118 240196410 /nfs/dbraw/zinc/19/64/10/240196410.db2.gz DHHHFNYDZUKYDI-CYBMUJFWSA-N 2 2 348.472 2.032 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951309 240306071 /nfs/dbraw/zinc/30/60/71/240306071.db2.gz XYFFTCBGVRCDKW-DYVFJYSZSA-N 2 2 333.407 2.380 10 0 EEAELP Cc1ccc(OC(F)F)c(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422877152 240272463 /nfs/dbraw/zinc/27/24/63/240272463.db2.gz REBSCUITHASHBW-JKSUJKDBSA-N 2 2 326.387 2.453 10 0 EEAELP Cc1nccnc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000446831443 242223469 /nfs/dbraw/zinc/22/34/69/242223469.db2.gz FCBBSVAETXQWSM-QFBILLFUSA-N 2 2 326.444 2.073 10 0 EEAELP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccn1 ZINC000447520728 242283508 /nfs/dbraw/zinc/28/35/08/242283508.db2.gz LFNFFKLPMFHIKB-UHFFFAOYSA-N 2 2 330.476 2.070 10 0 EEAELP Brc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cs1 ZINC000422866301 532959195 /nfs/dbraw/zinc/95/91/95/532959195.db2.gz QCSXDIDCINRVEI-DGCLKSJQSA-N 2 2 331.279 2.367 10 0 EEAELP COCC[N@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268829469 252278302 /nfs/dbraw/zinc/27/83/02/252278302.db2.gz QIXOVZWRJSQUHU-UYAOXDASSA-N 3 2 333.520 2.455 10 0 EEAELP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268829469 252278305 /nfs/dbraw/zinc/27/83/05/252278305.db2.gz QIXOVZWRJSQUHU-UYAOXDASSA-N 3 2 333.520 2.455 10 0 EEAELP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268829469 252278308 /nfs/dbraw/zinc/27/83/08/252278308.db2.gz QIXOVZWRJSQUHU-UYAOXDASSA-N 3 2 333.520 2.455 10 0 EEAELP COCC[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268829469 252278311 /nfs/dbraw/zinc/27/83/11/252278311.db2.gz QIXOVZWRJSQUHU-UYAOXDASSA-N 3 2 333.520 2.455 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000073712223 292172125 /nfs/dbraw/zinc/17/21/25/292172125.db2.gz BNDUKXXMFDVLNA-SFHVURJKSA-N 2 2 341.459 2.215 10 0 EEAELP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000073712223 292172126 /nfs/dbraw/zinc/17/21/26/292172126.db2.gz BNDUKXXMFDVLNA-SFHVURJKSA-N 2 2 341.459 2.215 10 0 EEAELP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)n1 ZINC000172751353 152115082 /nfs/dbraw/zinc/11/50/82/152115082.db2.gz OZMODNTXSNGHQR-UHFFFAOYSA-N 2 2 344.503 2.379 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262978832 152350329 /nfs/dbraw/zinc/35/03/29/152350329.db2.gz MNPAUSVTAAYNBC-JSGCOSHPSA-N 2 2 343.443 2.074 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262978832 152350333 /nfs/dbraw/zinc/35/03/33/152350333.db2.gz MNPAUSVTAAYNBC-JSGCOSHPSA-N 2 2 343.443 2.074 10 0 EEAELP Cc1ccc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000184220553 160003262 /nfs/dbraw/zinc/00/32/62/160003262.db2.gz JGGWPTDPTOHKTD-SJPCQFCGSA-N 2 2 343.475 2.165 10 0 EEAELP Cc1ccc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000184220553 160003264 /nfs/dbraw/zinc/00/32/64/160003264.db2.gz JGGWPTDPTOHKTD-SJPCQFCGSA-N 2 2 343.475 2.165 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245442408 160235891 /nfs/dbraw/zinc/23/58/91/160235891.db2.gz WGPVFLGIFOYLJY-KBXCAEBGSA-N 2 2 346.475 2.246 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245442408 160235892 /nfs/dbraw/zinc/23/58/92/160235892.db2.gz WGPVFLGIFOYLJY-KBXCAEBGSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245442408 160235894 /nfs/dbraw/zinc/23/58/94/160235894.db2.gz WGPVFLGIFOYLJY-KBXCAEBGSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245442408 160235897 /nfs/dbraw/zinc/23/58/97/160235897.db2.gz WGPVFLGIFOYLJY-KBXCAEBGSA-N 2 2 346.475 2.246 10 0 EEAELP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246131301 160263541 /nfs/dbraw/zinc/26/35/41/160263541.db2.gz BTEWPAXQYJOYQZ-HUUCEWRRSA-N 2 2 347.425 2.205 10 0 EEAELP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246131301 160263543 /nfs/dbraw/zinc/26/35/43/160263543.db2.gz BTEWPAXQYJOYQZ-HUUCEWRRSA-N 2 2 347.425 2.205 10 0 EEAELP COC(=O)[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246164982 160264836 /nfs/dbraw/zinc/26/48/36/160264836.db2.gz YFCVQBUGVXPRGA-MAUKXSAKSA-N 2 2 340.427 2.433 10 0 EEAELP COC(=O)[C@@H](c1cccnc1)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000246164982 160264838 /nfs/dbraw/zinc/26/48/38/160264838.db2.gz YFCVQBUGVXPRGA-MAUKXSAKSA-N 2 2 340.427 2.433 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1N1CCOCC1 ZINC000246428665 160277995 /nfs/dbraw/zinc/27/79/95/160277995.db2.gz LCDOAVATWCTLMS-QFBILLFUSA-N 2 2 326.444 2.025 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1N1CCOCC1 ZINC000246428665 160277997 /nfs/dbraw/zinc/27/79/97/160277997.db2.gz LCDOAVATWCTLMS-QFBILLFUSA-N 2 2 326.444 2.025 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246550111 160284095 /nfs/dbraw/zinc/28/40/95/160284095.db2.gz DAVRDKLIHOCLRZ-WMLDXEAASA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246550111 160284096 /nfs/dbraw/zinc/28/40/96/160284096.db2.gz DAVRDKLIHOCLRZ-WMLDXEAASA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246550111 160284097 /nfs/dbraw/zinc/28/40/97/160284097.db2.gz DAVRDKLIHOCLRZ-WMLDXEAASA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246550111 160284099 /nfs/dbraw/zinc/28/40/99/160284099.db2.gz DAVRDKLIHOCLRZ-WMLDXEAASA-N 2 2 347.459 2.216 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246702599 160290434 /nfs/dbraw/zinc/29/04/34/160290434.db2.gz KUXUJCBOJVBWEY-ROUUACIJSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246702599 160290436 /nfs/dbraw/zinc/29/04/36/160290436.db2.gz KUXUJCBOJVBWEY-ROUUACIJSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246702599 160290437 /nfs/dbraw/zinc/29/04/37/160290437.db2.gz KUXUJCBOJVBWEY-ROUUACIJSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246702599 160290440 /nfs/dbraw/zinc/29/04/40/160290440.db2.gz KUXUJCBOJVBWEY-ROUUACIJSA-N 2 2 347.503 2.213 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147767 160339043 /nfs/dbraw/zinc/33/90/43/160339043.db2.gz QJQURQPHKQIQPF-NVXWUHKLSA-N 2 2 335.879 2.372 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147767 160339044 /nfs/dbraw/zinc/33/90/44/160339044.db2.gz QJQURQPHKQIQPF-NVXWUHKLSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147767 160339045 /nfs/dbraw/zinc/33/90/45/160339045.db2.gz QJQURQPHKQIQPF-NVXWUHKLSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3cccc(Cl)c3)CC[C@H]21 ZINC000248147767 160339046 /nfs/dbraw/zinc/33/90/46/160339046.db2.gz QJQURQPHKQIQPF-NVXWUHKLSA-N 2 2 335.879 2.372 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NCC1CC1 ZINC000248199110 160340641 /nfs/dbraw/zinc/34/06/41/160340641.db2.gz YAFBXURBVSVQNY-VQTJNVASSA-N 2 2 341.499 2.499 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NCC1CC1 ZINC000248199110 160340642 /nfs/dbraw/zinc/34/06/42/160340642.db2.gz YAFBXURBVSVQNY-VQTJNVASSA-N 2 2 341.499 2.499 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)NCC1CC1 ZINC000248199110 160340643 /nfs/dbraw/zinc/34/06/43/160340643.db2.gz YAFBXURBVSVQNY-VQTJNVASSA-N 2 2 341.499 2.499 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)NCC1CC1 ZINC000248199110 160340644 /nfs/dbraw/zinc/34/06/44/160340644.db2.gz YAFBXURBVSVQNY-VQTJNVASSA-N 2 2 341.499 2.499 10 0 EEAELP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000343893911 161178366 /nfs/dbraw/zinc/17/83/66/161178366.db2.gz JOTYQHHQAGKPSJ-OXJNMPFZSA-N 3 2 331.504 2.447 10 0 EEAELP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000343893911 161178367 /nfs/dbraw/zinc/17/83/67/161178367.db2.gz JOTYQHHQAGKPSJ-OXJNMPFZSA-N 3 2 331.504 2.447 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)OCO2 ZINC000344690275 161236480 /nfs/dbraw/zinc/23/64/80/161236480.db2.gz WWMYZUQPFYZOHV-UKRRQHHQSA-N 2 2 336.432 2.013 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)OCO2 ZINC000344690275 161236481 /nfs/dbraw/zinc/23/64/81/161236481.db2.gz WWMYZUQPFYZOHV-UKRRQHHQSA-N 2 2 336.432 2.013 10 0 EEAELP c1cn(-c2csc(C[NH+]3CCN(c4cnccn4)CC3)c2)c[nH+]1 ZINC000346139459 161360552 /nfs/dbraw/zinc/36/05/52/161360552.db2.gz VMYBUQFGZHRRGW-UHFFFAOYSA-N 2 2 326.429 2.046 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000352801056 162292159 /nfs/dbraw/zinc/29/21/59/162292159.db2.gz REIBUPBPXGADQS-UHFFFAOYSA-N 2 2 335.411 2.322 10 0 EEAELP C[C@]1(CNC(=O)CCn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000364452863 165141531 /nfs/dbraw/zinc/14/15/31/165141531.db2.gz XBPHTQWHTPLNAJ-LJQANCHMSA-N 2 2 326.444 2.444 10 0 EEAELP C[C@]1(CNC(=O)CCn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1 ZINC000364452863 165141534 /nfs/dbraw/zinc/14/15/34/165141534.db2.gz XBPHTQWHTPLNAJ-LJQANCHMSA-N 2 2 326.444 2.444 10 0 EEAELP CCc1nnc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000274811693 269056804 /nfs/dbraw/zinc/05/68/04/269056804.db2.gz IBXXPEXUZDOTKG-RDJZCZTQSA-N 2 2 327.476 2.378 10 0 EEAELP CCc1nnc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000274811693 269056806 /nfs/dbraw/zinc/05/68/06/269056806.db2.gz IBXXPEXUZDOTKG-RDJZCZTQSA-N 2 2 327.476 2.378 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@]3(CO)CC[C@H](C)C3)c2cc1C ZINC000275167899 269100101 /nfs/dbraw/zinc/10/01/01/269100101.db2.gz TWVWQDHQUCBOEK-NQYLQCIDSA-N 2 2 345.487 2.497 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@]3(CO)CC[C@H](C)C3)c2cc1C ZINC000275167899 269100103 /nfs/dbraw/zinc/10/01/03/269100103.db2.gz TWVWQDHQUCBOEK-NQYLQCIDSA-N 2 2 345.487 2.497 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000289527280 275124411 /nfs/dbraw/zinc/12/44/11/275124411.db2.gz RYQCBNNYLOLSJY-KRWDZBQOSA-N 2 2 331.395 2.418 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000289527280 275124412 /nfs/dbraw/zinc/12/44/12/275124412.db2.gz RYQCBNNYLOLSJY-KRWDZBQOSA-N 2 2 331.395 2.418 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000343156499 288098211 /nfs/dbraw/zinc/09/82/11/288098211.db2.gz YLACJDSTVSTIQZ-ZTFGCOKTSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N1CCOCC1 ZINC000343156499 288098213 /nfs/dbraw/zinc/09/82/13/288098213.db2.gz YLACJDSTVSTIQZ-ZTFGCOKTSA-N 2 2 337.895 2.253 10 0 EEAELP O=C1NCCC[C@H]1[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000362379296 280288407 /nfs/dbraw/zinc/28/84/07/280288407.db2.gz QMAKLSTVFROHBR-QUCCMNQESA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@H]1[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000362379296 280288410 /nfs/dbraw/zinc/28/84/10/280288410.db2.gz QMAKLSTVFROHBR-QUCCMNQESA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@H]1[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000362379296 280288412 /nfs/dbraw/zinc/28/84/12/280288412.db2.gz QMAKLSTVFROHBR-QUCCMNQESA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@H]1[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000362379296 280288414 /nfs/dbraw/zinc/28/84/14/280288414.db2.gz QMAKLSTVFROHBR-QUCCMNQESA-N 2 2 327.472 2.253 10 0 EEAELP COc1nccnc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000296996800 294124661 /nfs/dbraw/zinc/12/46/61/294124661.db2.gz WBXBMVUTVOUJHO-UHFFFAOYSA-N 2 2 342.443 2.248 10 0 EEAELP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367994191 302128705 /nfs/dbraw/zinc/12/87/05/302128705.db2.gz JGSMGYYWCPFQAW-OXQOHEQNSA-N 2 2 340.471 2.239 10 0 EEAELP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367994191 302128710 /nfs/dbraw/zinc/12/87/10/302128710.db2.gz JGSMGYYWCPFQAW-OXQOHEQNSA-N 2 2 340.471 2.239 10 0 EEAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@H+](CC(=O)NC2CCCCC2)C1 ZINC000333374687 312137593 /nfs/dbraw/zinc/13/75/93/312137593.db2.gz DQVNDFOBTKDXOE-INIZCTEOSA-N 2 2 346.475 2.050 10 0 EEAELP CN(C)c1[nH+]cccc1O[C@H]1CC[N@@H+](CC(=O)NC2CCCCC2)C1 ZINC000333374687 312137595 /nfs/dbraw/zinc/13/75/95/312137595.db2.gz DQVNDFOBTKDXOE-INIZCTEOSA-N 2 2 346.475 2.050 10 0 EEAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N[C@@H]1CCCC[NH2+]C1 ZINC000333385722 312139101 /nfs/dbraw/zinc/13/91/01/312139101.db2.gz OBVYCXVYKJGXDS-QGZVFWFLSA-N 2 2 345.491 2.403 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227733 312270475 /nfs/dbraw/zinc/27/04/75/312270475.db2.gz GTYSTMLIKDRLNZ-FXAWDEMLSA-N 3 2 331.504 2.339 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000345227733 312270478 /nfs/dbraw/zinc/27/04/78/312270478.db2.gz GTYSTMLIKDRLNZ-FXAWDEMLSA-N 3 2 331.504 2.339 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417008951 313392862 /nfs/dbraw/zinc/39/28/62/313392862.db2.gz JMKCBIHMEBQRJT-QGZVFWFLSA-N 2 2 341.459 2.427 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC(C)(C)[NH3+])c(C)c1 ZINC000417931544 313655054 /nfs/dbraw/zinc/65/50/54/313655054.db2.gz LLRCKOGXYJOFHW-MRXNPFEDSA-N 2 2 329.448 2.278 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000418696194 313882638 /nfs/dbraw/zinc/88/26/38/313882638.db2.gz KMAPEWGCDNODOL-IHRRRGAJSA-N 2 2 338.883 2.464 10 0 EEAELP CN(C)c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1C ZINC000425383991 314383023 /nfs/dbraw/zinc/38/30/23/314383023.db2.gz PYXXXZDJDJYOGU-OAHLLOKOSA-N 2 2 342.491 2.399 10 0 EEAELP CCc1cc(NCC(C)(C)[NH+]2CCS(=O)CC2)c2ccccc2[nH+]1 ZINC000443888928 315263280 /nfs/dbraw/zinc/26/32/80/315263280.db2.gz LZJZKIBBKWEFJJ-UHFFFAOYSA-N 2 2 345.512 2.474 10 0 EEAELP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2noc(-c3ccccc3)n2)CC1 ZINC000451981246 315472993 /nfs/dbraw/zinc/47/29/93/315472993.db2.gz INOKXDHGZWTCMS-UHFFFAOYSA-N 2 2 343.475 2.242 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528430115 317384363 /nfs/dbraw/zinc/38/43/63/317384363.db2.gz WIZQZSFLIALDOE-DLBZAZTESA-N 2 2 343.471 2.475 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H](O)CC1(O)CCC1 ZINC000528430115 317384366 /nfs/dbraw/zinc/38/43/66/317384366.db2.gz WIZQZSFLIALDOE-DLBZAZTESA-N 2 2 343.471 2.475 10 0 EEAELP O[C@H](C[NH2+]Cc1cc(F)c(Br)cc1F)C[NH+]1CCCC1 ZINC000530241642 317703270 /nfs/dbraw/zinc/70/32/70/317703270.db2.gz KWKIQGIZSKERQD-LLVKDONJSA-N 2 2 349.219 2.274 10 0 EEAELP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179230 317696097 /nfs/dbraw/zinc/69/60/97/317696097.db2.gz WHJBTOJZJKMOPG-QGZVFWFLSA-N 2 2 340.427 2.222 10 0 EEAELP CN(CCC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1cc[nH+]cc1 ZINC000540929289 318084933 /nfs/dbraw/zinc/08/49/33/318084933.db2.gz CKUNUVWLCCLTKV-UHFFFAOYSA-N 2 2 339.443 2.220 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000547273539 318276091 /nfs/dbraw/zinc/27/60/91/318276091.db2.gz DQLONZUBQPWGAO-UHFFFAOYSA-N 2 2 348.516 2.227 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000547273539 318276093 /nfs/dbraw/zinc/27/60/93/318276093.db2.gz DQLONZUBQPWGAO-UHFFFAOYSA-N 2 2 348.516 2.227 10 0 EEAELP C[C@H](O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000547363279 318282086 /nfs/dbraw/zinc/28/20/86/318282086.db2.gz WHRRIAJRNBFDNM-OFQRWUPVSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H](O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000547363279 318282088 /nfs/dbraw/zinc/28/20/88/318282088.db2.gz WHRRIAJRNBFDNM-OFQRWUPVSA-N 2 2 342.443 2.497 10 0 EEAELP CN(C(=O)NCC[C@H]1CCC[NH2+]1)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000561215568 318832656 /nfs/dbraw/zinc/83/26/56/318832656.db2.gz DHDIEORSEXYPEI-HZPDHXFCSA-N 2 2 327.432 2.283 10 0 EEAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563811270 319045518 /nfs/dbraw/zinc/04/55/18/319045518.db2.gz WUEMUARJELBZER-KXBFYZLASA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563811270 319045519 /nfs/dbraw/zinc/04/55/19/319045519.db2.gz WUEMUARJELBZER-KXBFYZLASA-N 2 2 331.460 2.488 10 0 EEAELP O=C(CC[NH2+][C@@H]1CCCC12CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000563820799 319046628 /nfs/dbraw/zinc/04/66/28/319046628.db2.gz BRLBGBMLRHQQAV-MRXNPFEDSA-N 2 2 328.460 2.043 10 0 EEAELP COCC[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000566352135 319277892 /nfs/dbraw/zinc/27/78/92/319277892.db2.gz XKOMAPBYZSDXKL-QGZVFWFLSA-N 2 2 347.503 2.042 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)c2[nH+]ccn21 ZINC000572601560 319860611 /nfs/dbraw/zinc/86/06/11/319860611.db2.gz CSKZPCDQECBXFH-HYVNUMGLSA-N 2 2 341.459 2.361 10 0 EEAELP C[N@H+](C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000575376945 320103867 /nfs/dbraw/zinc/10/38/67/320103867.db2.gz AHWANMJYLNCQQA-HXUWFJFHSA-N 3 2 331.504 2.217 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000575376945 320103869 /nfs/dbraw/zinc/10/38/69/320103869.db2.gz AHWANMJYLNCQQA-HXUWFJFHSA-N 3 2 331.504 2.217 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)cc1 ZINC000577623405 320266764 /nfs/dbraw/zinc/26/67/64/320266764.db2.gz OMMCLAPKHBVGSM-UHFFFAOYSA-N 2 2 345.487 2.071 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000580762510 324124751 /nfs/dbraw/zinc/12/47/51/324124751.db2.gz XKKKGFRMJZQGLJ-IYBDPMFKSA-N 2 2 325.416 2.445 10 0 EEAELP OCCC[N@@H+]1CCC[C@H]1CNc1nc2ccccc2n2c[nH+]cc12 ZINC000624248656 450761785 /nfs/dbraw/zinc/76/17/85/450761785.db2.gz YXBUCHAOTUYEMG-AWEZNQCLSA-N 2 2 325.416 2.141 10 0 EEAELP OCCC[N@H+]1CCC[C@H]1CNc1nc2ccccc2n2c[nH+]cc12 ZINC000624248656 450761788 /nfs/dbraw/zinc/76/17/88/450761788.db2.gz YXBUCHAOTUYEMG-AWEZNQCLSA-N 2 2 325.416 2.141 10 0 EEAELP Nc1ccc(N[C@@H]2CCC[N@H+](Cc3cnc4ncccn34)CC2)c[nH+]1 ZINC000328628822 465078877 /nfs/dbraw/zinc/07/88/77/465078877.db2.gz HOZDTOSTEMQFBR-CQSZACIVSA-N 2 2 337.431 2.173 10 0 EEAELP Nc1ccc(N[C@@H]2CCC[N@@H+](Cc3cnc4ncccn34)CC2)c[nH+]1 ZINC000328628822 465078881 /nfs/dbraw/zinc/07/88/81/465078881.db2.gz HOZDTOSTEMQFBR-CQSZACIVSA-N 2 2 337.431 2.173 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cn1 ZINC000339245005 465162207 /nfs/dbraw/zinc/16/22/07/465162207.db2.gz BBZUFILAXCLCRP-UHFFFAOYSA-N 2 2 339.443 2.068 10 0 EEAELP CCCC[C@H](COC)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354859349 465197534 /nfs/dbraw/zinc/19/75/34/465197534.db2.gz CXRLCZBYIGVEAM-XHSDSOJGSA-N 2 2 326.460 2.127 10 0 EEAELP CCOC(=O)c1c(C)onc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000351712033 465310030 /nfs/dbraw/zinc/31/00/30/465310030.db2.gz MUOVQLKESHPJRJ-CQSZACIVSA-N 2 2 346.431 2.348 10 0 EEAELP CCOC(=O)c1c(C)onc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000351712033 465310037 /nfs/dbraw/zinc/31/00/37/465310037.db2.gz MUOVQLKESHPJRJ-CQSZACIVSA-N 2 2 346.431 2.348 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712008 465310461 /nfs/dbraw/zinc/31/04/61/465310461.db2.gz MJORWCCOUQNLKB-MSOLQXFVSA-N 2 2 334.435 2.318 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712008 465310468 /nfs/dbraw/zinc/31/04/68/465310468.db2.gz MJORWCCOUQNLKB-MSOLQXFVSA-N 2 2 334.435 2.318 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712008 465310476 /nfs/dbraw/zinc/31/04/76/465310476.db2.gz MJORWCCOUQNLKB-MSOLQXFVSA-N 2 2 334.435 2.318 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712008 465310483 /nfs/dbraw/zinc/31/04/83/465310483.db2.gz MJORWCCOUQNLKB-MSOLQXFVSA-N 2 2 334.435 2.318 10 0 EEAELP C[C@H]1CCC[N@H+](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000046378985 462675158 /nfs/dbraw/zinc/67/51/58/462675158.db2.gz ULFRMMVIOXOVIL-INIZCTEOSA-N 2 2 345.491 2.082 10 0 EEAELP C[C@H]1CCC[N@@H+](CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000046378985 462675166 /nfs/dbraw/zinc/67/51/66/462675166.db2.gz ULFRMMVIOXOVIL-INIZCTEOSA-N 2 2 345.491 2.082 10 0 EEAELP C[N@H+](C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421849 462702018 /nfs/dbraw/zinc/70/20/18/462702018.db2.gz SPLUHSQEJSMWEN-OALUTQOASA-N 2 2 345.487 2.049 10 0 EEAELP C[N@@H+](C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000064421849 462702022 /nfs/dbraw/zinc/70/20/22/462702022.db2.gz SPLUHSQEJSMWEN-OALUTQOASA-N 2 2 345.487 2.049 10 0 EEAELP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157368040 463124346 /nfs/dbraw/zinc/12/43/46/463124346.db2.gz KRCUYVAWYGEDOO-GOSISDBHSA-N 2 2 345.487 2.262 10 0 EEAELP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157368040 463124349 /nfs/dbraw/zinc/12/43/49/463124349.db2.gz KRCUYVAWYGEDOO-GOSISDBHSA-N 2 2 345.487 2.262 10 0 EEAELP CCc1noc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000078969123 463173083 /nfs/dbraw/zinc/17/30/83/463173083.db2.gz JDXQIFNDSLMRHD-UHFFFAOYSA-N 2 2 330.436 2.140 10 0 EEAELP CCc1noc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)n1 ZINC000078969123 463173088 /nfs/dbraw/zinc/17/30/88/463173088.db2.gz JDXQIFNDSLMRHD-UHFFFAOYSA-N 2 2 330.436 2.140 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000079026083 463180492 /nfs/dbraw/zinc/18/04/92/463180492.db2.gz RICZFHFMDMOOPQ-MRXNPFEDSA-N 2 2 343.475 2.461 10 0 EEAELP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000157905234 463183330 /nfs/dbraw/zinc/18/33/30/463183330.db2.gz FZJOPXKATWYDOS-ZACQAIPSSA-N 2 2 328.416 2.036 10 0 EEAELP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)[C@@H]2C1 ZINC000157905234 463183335 /nfs/dbraw/zinc/18/33/35/463183335.db2.gz FZJOPXKATWYDOS-ZACQAIPSSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136835169 463260586 /nfs/dbraw/zinc/26/05/86/463260586.db2.gz ADJJUYDDHLLGLF-SJORKVTESA-N 2 2 347.507 2.259 10 0 EEAELP CC1CC[NH+](Cc2ccccc2CNC(=O)Cn2cc[nH+]c2)CC1 ZINC000081257820 463410451 /nfs/dbraw/zinc/41/04/51/463410451.db2.gz OGCCCJOVYCSYBN-UHFFFAOYSA-N 2 2 326.444 2.431 10 0 EEAELP C[NH+](C)[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N2CCCCC2)C1 ZINC000072274267 463492542 /nfs/dbraw/zinc/49/25/42/463492542.db2.gz SBZKSVSSKFPCDN-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000151243617 463499569 /nfs/dbraw/zinc/49/95/69/463499569.db2.gz SOTDDQGCDNPAAH-SFHVURJKSA-N 2 2 338.455 2.358 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1NC(C)=O ZINC000151318002 463511072 /nfs/dbraw/zinc/51/10/72/463511072.db2.gz FKLUZRIPGBMTJY-PBHICJAKSA-N 2 2 349.475 2.151 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)N(C)Cc1ccccc1 ZINC000083888335 463566508 /nfs/dbraw/zinc/56/65/08/463566508.db2.gz GQDFPDKLPXBBJH-RDJZCZTQSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCc2sccc2C1 ZINC000083927581 463567878 /nfs/dbraw/zinc/56/78/78/463567878.db2.gz FFAFVCVNMOZYDP-KGLIPLIRSA-N 2 2 344.484 2.385 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000151719080 463580021 /nfs/dbraw/zinc/58/00/21/463580021.db2.gz UGLYMOPMWDNGHP-LJQANCHMSA-N 3 2 330.520 2.402 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000151719080 463580025 /nfs/dbraw/zinc/58/00/25/463580025.db2.gz UGLYMOPMWDNGHP-LJQANCHMSA-N 3 2 330.520 2.402 10 0 EEAELP COc1c(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)c(C)nn1C ZINC000058416314 463595863 /nfs/dbraw/zinc/59/58/63/463595863.db2.gz AJWCMUNMAIYSPM-UHFFFAOYSA-N 2 2 325.416 2.272 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]3(F)CC[NH2+]C3)n2)C1 ZINC000163607000 463599674 /nfs/dbraw/zinc/59/96/74/463599674.db2.gz MFDVFVHRKQRALE-NHYWBVRUSA-N 2 2 326.441 2.015 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]3(F)CC[NH2+]C3)n2)C1 ZINC000163607000 463599681 /nfs/dbraw/zinc/59/96/81/463599681.db2.gz MFDVFVHRKQRALE-NHYWBVRUSA-N 2 2 326.441 2.015 10 0 EEAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261710658 463835400 /nfs/dbraw/zinc/83/54/00/463835400.db2.gz JFLRNHFIVASTDF-IAGOWNOFSA-N 2 2 326.444 2.265 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccccc3)CC2)CCO1 ZINC000171343631 463848432 /nfs/dbraw/zinc/84/84/32/463848432.db2.gz GYZDRYYHGCKLMX-MRXNPFEDSA-N 2 2 331.460 2.200 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccccc3)CC2)CCO1 ZINC000171343631 463848435 /nfs/dbraw/zinc/84/84/35/463848435.db2.gz GYZDRYYHGCKLMX-MRXNPFEDSA-N 2 2 331.460 2.200 10 0 EEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178576578 463924549 /nfs/dbraw/zinc/92/45/49/463924549.db2.gz PRUJCHXJEAUQOP-DJIMGWMZSA-N 2 2 328.460 2.236 10 0 EEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178576578 463924555 /nfs/dbraw/zinc/92/45/55/463924555.db2.gz PRUJCHXJEAUQOP-DJIMGWMZSA-N 2 2 328.460 2.236 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000178707967 463947935 /nfs/dbraw/zinc/94/79/35/463947935.db2.gz HLQHJGWQRBKIPI-INIZCTEOSA-N 3 2 327.476 2.477 10 0 EEAELP C[N@H+](CC[NH2+]CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 ZINC000278868433 464004568 /nfs/dbraw/zinc/00/45/68/464004568.db2.gz MPNUPFCHDTUTEA-UHFFFAOYSA-N 2 2 337.423 2.004 10 0 EEAELP C[N@@H+](CC[NH2+]CCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 ZINC000278868433 464004573 /nfs/dbraw/zinc/00/45/73/464004573.db2.gz MPNUPFCHDTUTEA-UHFFFAOYSA-N 2 2 337.423 2.004 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCn2ccnc2)C1 ZINC000195267336 464028181 /nfs/dbraw/zinc/02/81/81/464028181.db2.gz NJKIOZIAVVMDJS-INIZCTEOSA-N 2 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCn2ccnc2)C1 ZINC000195267336 464028183 /nfs/dbraw/zinc/02/81/83/464028183.db2.gz NJKIOZIAVVMDJS-INIZCTEOSA-N 2 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000195267336 464028184 /nfs/dbraw/zinc/02/81/84/464028184.db2.gz NJKIOZIAVVMDJS-INIZCTEOSA-N 2 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCn2ccnc2)C1 ZINC000195267336 464028185 /nfs/dbraw/zinc/02/81/85/464028185.db2.gz NJKIOZIAVVMDJS-INIZCTEOSA-N 2 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCCn2cc[nH+]c2)C1 ZINC000195267336 464028186 /nfs/dbraw/zinc/02/81/86/464028186.db2.gz NJKIOZIAVVMDJS-INIZCTEOSA-N 3 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCCn2cc[nH+]c2)C1 ZINC000195267336 464028188 /nfs/dbraw/zinc/02/81/88/464028188.db2.gz NJKIOZIAVVMDJS-INIZCTEOSA-N 3 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000195267336 464028189 /nfs/dbraw/zinc/02/81/89/464028189.db2.gz NJKIOZIAVVMDJS-INIZCTEOSA-N 3 2 333.505 2.492 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000195267336 464028190 /nfs/dbraw/zinc/02/81/90/464028190.db2.gz NJKIOZIAVVMDJS-INIZCTEOSA-N 3 2 333.505 2.492 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1 ZINC000187009883 464090155 /nfs/dbraw/zinc/09/01/55/464090155.db2.gz MKEMDVQNGXCBBW-RHSMWYFYSA-N 2 2 335.496 2.148 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C)n2C2CC2)[C@H](C)C1 ZINC000187009883 464090160 /nfs/dbraw/zinc/09/01/60/464090160.db2.gz MKEMDVQNGXCBBW-RHSMWYFYSA-N 2 2 335.496 2.148 10 0 EEAELP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000284500485 464218122 /nfs/dbraw/zinc/21/81/22/464218122.db2.gz KKMYKXAZWVEXPG-HNAYVOBHSA-N 2 2 342.491 2.054 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000579714978 468400591 /nfs/dbraw/zinc/40/05/91/468400591.db2.gz JLBCRMRBKADRLH-ZTFGCOKTSA-N 2 2 332.492 2.186 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000579714978 468400597 /nfs/dbraw/zinc/40/05/97/468400597.db2.gz JLBCRMRBKADRLH-ZTFGCOKTSA-N 2 2 332.492 2.186 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000180621535 464351933 /nfs/dbraw/zinc/35/19/33/464351933.db2.gz JUGFOZIJNLJFQE-LBPRGKRZSA-N 2 2 332.370 2.151 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCCNC(=O)C(F)(F)F)C1 ZINC000180621535 464351939 /nfs/dbraw/zinc/35/19/39/464351939.db2.gz JUGFOZIJNLJFQE-LBPRGKRZSA-N 2 2 332.370 2.151 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1c1ccccc1 ZINC000272362046 464577360 /nfs/dbraw/zinc/57/73/60/464577360.db2.gz SEXGMZPQXACVQB-IEBWSBKVSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H]1c1ccccc1 ZINC000272362046 464577365 /nfs/dbraw/zinc/57/73/65/464577365.db2.gz SEXGMZPQXACVQB-IEBWSBKVSA-N 2 2 347.422 2.443 10 0 EEAELP C[C@H]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1n1cc[nH+]c1 ZINC000272370147 464581964 /nfs/dbraw/zinc/58/19/64/464581964.db2.gz UHNIZYIUFZCUIZ-WMLDXEAASA-N 2 2 336.399 2.187 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000182157444 464586032 /nfs/dbraw/zinc/58/60/32/464586032.db2.gz NCOMQRXLYAYYKQ-MSOLQXFVSA-N 2 2 339.524 2.066 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000182157444 464586035 /nfs/dbraw/zinc/58/60/35/464586035.db2.gz NCOMQRXLYAYYKQ-MSOLQXFVSA-N 2 2 339.524 2.066 10 0 EEAELP O[C@H](COCc1ccccc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000175714089 464608287 /nfs/dbraw/zinc/60/82/87/464608287.db2.gz RIAHFOZCECESIG-OALUTQOASA-N 2 2 341.455 2.393 10 0 EEAELP O[C@H](COCc1ccccc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000175714089 464608290 /nfs/dbraw/zinc/60/82/90/464608290.db2.gz RIAHFOZCECESIG-OALUTQOASA-N 2 2 341.455 2.393 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nnc1-c1ccccc1 ZINC000246994530 464640677 /nfs/dbraw/zinc/64/06/77/464640677.db2.gz PJSCACYSDLVQEV-IRXDYDNUSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)nnc1-c1ccccc1 ZINC000246994530 464640688 /nfs/dbraw/zinc/64/06/88/464640688.db2.gz PJSCACYSDLVQEV-IRXDYDNUSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nnc1-c1ccccc1 ZINC000246994530 464640691 /nfs/dbraw/zinc/64/06/91/464640691.db2.gz PJSCACYSDLVQEV-IRXDYDNUSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nnc1-c1ccccc1 ZINC000246994530 464640696 /nfs/dbraw/zinc/64/06/96/464640696.db2.gz PJSCACYSDLVQEV-IRXDYDNUSA-N 2 2 325.460 2.398 10 0 EEAELP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000248115449 464730819 /nfs/dbraw/zinc/73/08/19/464730819.db2.gz ILFZPULPEXFMCK-KSZLIROESA-N 2 2 342.487 2.383 10 0 EEAELP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000248115449 464730829 /nfs/dbraw/zinc/73/08/29/464730829.db2.gz ILFZPULPEXFMCK-KSZLIROESA-N 2 2 342.487 2.383 10 0 EEAELP CC(C)c1nnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1C ZINC000182956465 464765191 /nfs/dbraw/zinc/76/51/91/464765191.db2.gz WLESZAIWXSHTTL-UHFFFAOYSA-N 2 2 349.523 2.263 10 0 EEAELP COc1ccc(F)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000295487748 464855533 /nfs/dbraw/zinc/85/55/33/464855533.db2.gz XNXGSQZICUTKQK-QGZVFWFLSA-N 2 2 335.467 2.436 10 0 EEAELP COc1ccc(F)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000295487748 464855538 /nfs/dbraw/zinc/85/55/38/464855538.db2.gz XNXGSQZICUTKQK-QGZVFWFLSA-N 2 2 335.467 2.436 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)COC[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000249283398 464859280 /nfs/dbraw/zinc/85/92/80/464859280.db2.gz LEKHDRDWHLHILN-KFKAGJAMSA-N 2 2 345.443 2.079 10 0 EEAELP CC1(C)CC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC(C)(C)[NH2+]1 ZINC000177338898 464989813 /nfs/dbraw/zinc/98/98/13/464989813.db2.gz RFPXXAQJWRPFRA-OAHLLOKOSA-N 2 2 333.480 2.366 10 0 EEAELP CC(C)(C)[NH+]1CCC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000177430752 465013822 /nfs/dbraw/zinc/01/38/22/465013822.db2.gz NOXOLRHUAJBLDZ-INIZCTEOSA-N 2 2 333.480 2.320 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000357219450 465866420 /nfs/dbraw/zinc/86/64/20/465866420.db2.gz LJOIXCKURCRXHN-KRWDZBQOSA-N 2 2 347.507 2.219 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000357219450 465866432 /nfs/dbraw/zinc/86/64/32/465866432.db2.gz LJOIXCKURCRXHN-KRWDZBQOSA-N 2 2 347.507 2.219 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353521812 465950490 /nfs/dbraw/zinc/95/04/90/465950490.db2.gz SQGCPYSIVJKRPE-XSDIEEQYSA-N 3 2 343.515 2.086 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353521812 465950492 /nfs/dbraw/zinc/95/04/92/465950492.db2.gz SQGCPYSIVJKRPE-XSDIEEQYSA-N 3 2 343.515 2.086 10 0 EEAELP C[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353521812 465950496 /nfs/dbraw/zinc/95/04/96/465950496.db2.gz SQGCPYSIVJKRPE-XSDIEEQYSA-N 3 2 343.515 2.086 10 0 EEAELP C[NH+]1CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353521812 465950498 /nfs/dbraw/zinc/95/04/98/465950498.db2.gz SQGCPYSIVJKRPE-XSDIEEQYSA-N 3 2 343.515 2.086 10 0 EEAELP Cc1ccc2[nH+]ccc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)c2c1 ZINC000302157832 466108771 /nfs/dbraw/zinc/10/87/71/466108771.db2.gz NPZMFDLEOMRDSG-HNNXBMFYSA-N 2 2 338.455 2.332 10 0 EEAELP C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000353989020 466305584 /nfs/dbraw/zinc/30/55/84/466305584.db2.gz ZAZALFLLRWOKRV-ZIAGYGMSSA-N 2 2 333.457 2.489 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)C2 ZINC000372455607 466393815 /nfs/dbraw/zinc/39/38/15/466393815.db2.gz PMWZJEXRNISRRD-RHSMWYFYSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)C2 ZINC000372455607 466393825 /nfs/dbraw/zinc/39/38/25/466393825.db2.gz PMWZJEXRNISRRD-RHSMWYFYSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)CC2 ZINC000372455607 466393829 /nfs/dbraw/zinc/39/38/29/466393829.db2.gz PMWZJEXRNISRRD-RHSMWYFYSA-N 2 2 332.492 2.437 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000358067230 466427974 /nfs/dbraw/zinc/42/79/74/466427974.db2.gz XAKDEHLVIMBVLN-DNVCBOLYSA-N 2 2 327.472 2.364 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000358067230 466427983 /nfs/dbraw/zinc/42/79/83/466427983.db2.gz XAKDEHLVIMBVLN-DNVCBOLYSA-N 2 2 327.472 2.364 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000358189436 466526644 /nfs/dbraw/zinc/52/66/44/466526644.db2.gz MIFNPALUYOPAJZ-FDMITFGQSA-N 2 2 327.472 2.421 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000358189436 466526655 /nfs/dbraw/zinc/52/66/55/466526655.db2.gz MIFNPALUYOPAJZ-FDMITFGQSA-N 2 2 327.472 2.421 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000321118912 466618384 /nfs/dbraw/zinc/61/83/84/466618384.db2.gz CFDUIXLVJUQAAC-GDBMZVCRSA-N 2 2 333.501 2.097 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000321118912 466618387 /nfs/dbraw/zinc/61/83/87/466618387.db2.gz CFDUIXLVJUQAAC-GDBMZVCRSA-N 2 2 333.501 2.097 10 0 EEAELP COCC[NH2+]CC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423340071 466723107 /nfs/dbraw/zinc/72/31/07/466723107.db2.gz SRYKVROZDXWEST-ZDUSSCGKSA-N 2 2 331.229 2.401 10 0 EEAELP C[C@H]1CN(C(=O)c2cc[nH]c2C2CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000375072195 466795807 /nfs/dbraw/zinc/79/58/07/466795807.db2.gz YFBMUJAHEDAAJZ-AWEZNQCLSA-N 2 2 330.476 2.133 10 0 EEAELP C[C@H]1CN(C(=O)c2cc[nH]c2C2CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000375072195 466795809 /nfs/dbraw/zinc/79/58/09/466795809.db2.gz YFBMUJAHEDAAJZ-AWEZNQCLSA-N 2 2 330.476 2.133 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000370376592 466854712 /nfs/dbraw/zinc/85/47/12/466854712.db2.gz CYTQEUGPJISFBW-QGZVFWFLSA-N 2 2 340.427 2.403 10 0 EEAELP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000370680893 466963668 /nfs/dbraw/zinc/96/36/68/466963668.db2.gz MALSCKTXTXSAQU-OAHLLOKOSA-N 2 2 333.480 2.222 10 0 EEAELP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000370680893 466963669 /nfs/dbraw/zinc/96/36/69/466963669.db2.gz MALSCKTXTXSAQU-OAHLLOKOSA-N 2 2 333.480 2.222 10 0 EEAELP C[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417916661 466984822 /nfs/dbraw/zinc/98/48/22/466984822.db2.gz AAMGVYINAXGKMF-LSDHHAIUSA-N 2 2 342.846 2.133 10 0 EEAELP C[NH2+]CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417916661 466984829 /nfs/dbraw/zinc/98/48/29/466984829.db2.gz AAMGVYINAXGKMF-LSDHHAIUSA-N 2 2 342.846 2.133 10 0 EEAELP CC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945143 466996989 /nfs/dbraw/zinc/99/69/89/466996989.db2.gz QTELUPJWHXPARV-LSDHHAIUSA-N 2 2 342.846 2.133 10 0 EEAELP CC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945143 466996993 /nfs/dbraw/zinc/99/69/93/466996993.db2.gz QTELUPJWHXPARV-LSDHHAIUSA-N 2 2 342.846 2.133 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)C[N@H+](Cc2ccccc2)C1 ZINC000425355706 467092362 /nfs/dbraw/zinc/09/23/62/467092362.db2.gz PBCUJIRHHRSJJM-BHIYHBOVSA-N 2 2 329.488 2.355 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000425355706 467092365 /nfs/dbraw/zinc/09/23/65/467092365.db2.gz PBCUJIRHHRSJJM-BHIYHBOVSA-N 2 2 329.488 2.355 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427845832 467182337 /nfs/dbraw/zinc/18/23/37/467182337.db2.gz GAZVXTSBHCWMST-KSSFIOAISA-N 2 2 327.428 2.379 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427845832 467182339 /nfs/dbraw/zinc/18/23/39/467182339.db2.gz GAZVXTSBHCWMST-KSSFIOAISA-N 2 2 327.428 2.379 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccco1 ZINC000378374332 467283878 /nfs/dbraw/zinc/28/38/78/467283878.db2.gz FPMRDKPVFKAMKL-MRXNPFEDSA-N 2 2 349.475 2.034 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000433066747 467289152 /nfs/dbraw/zinc/28/91/52/467289152.db2.gz KSJQMPLGSXOSAH-AQEOSJORSA-N 2 2 342.487 2.287 10 0 EEAELP COC(=O)C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000420363871 467378727 /nfs/dbraw/zinc/37/87/27/467378727.db2.gz PXHLMEAIDMAIRM-CYBMUJFWSA-N 2 2 326.387 2.330 10 0 EEAELP COC(=O)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(F)c(F)c1 ZINC000420363871 467378730 /nfs/dbraw/zinc/37/87/30/467378730.db2.gz PXHLMEAIDMAIRM-CYBMUJFWSA-N 2 2 326.387 2.330 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC000391954298 467423428 /nfs/dbraw/zinc/42/34/28/467423428.db2.gz VLSKJGJUBJKSBR-RTBURBONSA-N 2 2 327.472 2.035 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC000391954298 467423431 /nfs/dbraw/zinc/42/34/31/467423431.db2.gz VLSKJGJUBJKSBR-RTBURBONSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C[N@@H+]1Cc1ccccc1 ZINC000398225145 467448410 /nfs/dbraw/zinc/44/84/10/467448410.db2.gz XOOBDPPHOUBSFG-QRQLOZEOSA-N 2 2 344.455 2.410 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCc2ccco2)C[N@H+]1Cc1ccccc1 ZINC000398225145 467448415 /nfs/dbraw/zinc/44/84/15/467448415.db2.gz XOOBDPPHOUBSFG-QRQLOZEOSA-N 2 2 344.455 2.410 10 0 EEAELP COC[C@]1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC[NH2+]1 ZINC000414948648 467457640 /nfs/dbraw/zinc/45/76/40/467457640.db2.gz XYQVMLASGOUFLK-OAHLLOKOSA-N 2 2 332.366 2.486 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cccn2)cc1 ZINC000453266989 467473836 /nfs/dbraw/zinc/47/38/36/467473836.db2.gz OVHFRDWEGMOBAL-LPHOPBHVSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(-n2cccn2)cc1 ZINC000453266989 467473838 /nfs/dbraw/zinc/47/38/38/467473838.db2.gz OVHFRDWEGMOBAL-LPHOPBHVSA-N 2 2 328.460 2.370 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000405402531 467481620 /nfs/dbraw/zinc/48/16/20/467481620.db2.gz WLXOUBIGFBAUOR-TZMCWYRMSA-N 2 2 336.823 2.186 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C[NH3+] ZINC000405402531 467481622 /nfs/dbraw/zinc/48/16/22/467481622.db2.gz WLXOUBIGFBAUOR-TZMCWYRMSA-N 2 2 336.823 2.186 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000449388808 467635459 /nfs/dbraw/zinc/63/54/59/467635459.db2.gz BFBQWDJRKAUTGM-OAHLLOKOSA-N 2 2 327.266 2.386 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000449388808 467635461 /nfs/dbraw/zinc/63/54/61/467635461.db2.gz BFBQWDJRKAUTGM-OAHLLOKOSA-N 2 2 327.266 2.386 10 0 EEAELP O=C(Cn1cc[nH+]c1)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000487702535 468050046 /nfs/dbraw/zinc/05/00/46/468050046.db2.gz ZTBANVAUXBTDHT-UHFFFAOYSA-N 2 2 343.818 2.462 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055223 468081799 /nfs/dbraw/zinc/08/17/99/468081799.db2.gz ZRWVZBQURIOSDU-YJBOKZPZSA-N 2 2 333.476 2.150 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055223 468081801 /nfs/dbraw/zinc/08/18/01/468081801.db2.gz ZRWVZBQURIOSDU-YJBOKZPZSA-N 2 2 333.476 2.150 10 0 EEAELP Cc1cccc(Cl)c1CC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000488752239 468101482 /nfs/dbraw/zinc/10/14/82/468101482.db2.gz OGTQCMNIYAGAQC-UHFFFAOYSA-N 2 2 337.895 2.333 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000519743837 468203489 /nfs/dbraw/zinc/20/34/89/468203489.db2.gz LCVARSAOVITZGP-QHCPKHFHSA-N 2 2 332.473 2.309 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000519743837 468203497 /nfs/dbraw/zinc/20/34/97/468203497.db2.gz LCVARSAOVITZGP-QHCPKHFHSA-N 2 2 332.473 2.309 10 0 EEAELP Cc1cc(C)c(NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)c(C)[nH+]1 ZINC000582289448 468518367 /nfs/dbraw/zinc/51/83/67/468518367.db2.gz IOIPDTDGHFNIMN-UHFFFAOYSA-N 2 2 345.491 2.345 10 0 EEAELP Cc1cc(C)c(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)c(C)[nH+]1 ZINC000582289448 468518370 /nfs/dbraw/zinc/51/83/70/468518370.db2.gz IOIPDTDGHFNIMN-UHFFFAOYSA-N 2 2 345.491 2.345 10 0 EEAELP CS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605739 468565624 /nfs/dbraw/zinc/56/56/24/468565624.db2.gz RKBNIPFNAMLOHI-QGZVFWFLSA-N 2 2 348.512 2.350 10 0 EEAELP CS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605739 468565628 /nfs/dbraw/zinc/56/56/28/468565628.db2.gz RKBNIPFNAMLOHI-QGZVFWFLSA-N 2 2 348.512 2.350 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000570251321 468610961 /nfs/dbraw/zinc/61/09/61/468610961.db2.gz NXIVLKSADGYSDM-XAUMDUMWSA-N 2 2 340.471 2.319 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000570251321 468610967 /nfs/dbraw/zinc/61/09/67/468610967.db2.gz NXIVLKSADGYSDM-XAUMDUMWSA-N 2 2 340.471 2.319 10 0 EEAELP CC(C)(C)OC(=O)C1CCC(O)(C[NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000600734996 468642372 /nfs/dbraw/zinc/64/23/72/468642372.db2.gz LKEIUPLTEUONGS-HVEKOLDVSA-N 2 2 349.475 2.051 10 0 EEAELP CCc1ncc(C[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000583688980 468741487 /nfs/dbraw/zinc/74/14/87/468741487.db2.gz MWTJLLZQGGJEEC-CQSZACIVSA-N 2 2 328.416 2.354 10 0 EEAELP C[C@@H](CSCCF)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000595018017 468744177 /nfs/dbraw/zinc/74/41/77/468744177.db2.gz ZPRMQSAOOVPOPL-INIZCTEOSA-N 3 2 340.512 2.275 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc3occc3c2)C1=O ZINC000560494053 468819725 /nfs/dbraw/zinc/81/97/25/468819725.db2.gz SHAJEONTHVCEQW-INIZCTEOSA-N 2 2 338.411 2.447 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](c2ccncn2)C1 ZINC000588691532 469157159 /nfs/dbraw/zinc/15/71/59/469157159.db2.gz OTDKCXIADKGXAJ-RBUKOAKNSA-N 2 2 340.471 2.149 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](c2ccncn2)C1 ZINC000588691532 469157165 /nfs/dbraw/zinc/15/71/65/469157165.db2.gz OTDKCXIADKGXAJ-RBUKOAKNSA-N 2 2 340.471 2.149 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000588691532 469157168 /nfs/dbraw/zinc/15/71/68/469157168.db2.gz OTDKCXIADKGXAJ-RBUKOAKNSA-N 2 2 340.471 2.149 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000588691532 469157176 /nfs/dbraw/zinc/15/71/76/469157176.db2.gz OTDKCXIADKGXAJ-RBUKOAKNSA-N 2 2 340.471 2.149 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](CO)C[C@H]3C)c2cc1C ZINC000626118138 469506880 /nfs/dbraw/zinc/50/68/80/469506880.db2.gz CLGKGVDZIAZWNE-ZACQAIPSSA-N 2 2 331.460 2.107 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](CO)C[C@H]3C)c2cc1C ZINC000626118138 469506883 /nfs/dbraw/zinc/50/68/83/469506883.db2.gz CLGKGVDZIAZWNE-ZACQAIPSSA-N 2 2 331.460 2.107 10 0 EEAELP C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C[NH2+]1 ZINC000629393916 469530259 /nfs/dbraw/zinc/53/02/59/469530259.db2.gz DWGBFKLKIOOQON-KOLCDFICSA-N 2 2 327.222 2.408 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000626285730 469563630 /nfs/dbraw/zinc/56/36/30/469563630.db2.gz AFZYXPPZFPIKMD-ZIFCJYIRSA-N 2 2 338.455 2.316 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)CC2 ZINC000626285730 469563634 /nfs/dbraw/zinc/56/36/34/469563634.db2.gz AFZYXPPZFPIKMD-ZIFCJYIRSA-N 2 2 338.455 2.316 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000629584068 469584677 /nfs/dbraw/zinc/58/46/77/469584677.db2.gz KVNPIEOTEXXABQ-DOPJRALCSA-N 2 2 335.879 2.449 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000629584068 469584681 /nfs/dbraw/zinc/58/46/81/469584681.db2.gz KVNPIEOTEXXABQ-DOPJRALCSA-N 2 2 335.879 2.449 10 0 EEAELP C/C=C\c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000629612214 469592048 /nfs/dbraw/zinc/59/20/48/469592048.db2.gz YAZWQZKECAIWCX-QKVQGTQPSA-N 2 2 334.460 2.152 10 0 EEAELP C/C=C\c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2C)c(OC)c1 ZINC000629612214 469592054 /nfs/dbraw/zinc/59/20/54/469592054.db2.gz YAZWQZKECAIWCX-QKVQGTQPSA-N 2 2 334.460 2.152 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3NC(=O)[C@H]2C)CC1 ZINC000623291440 469611865 /nfs/dbraw/zinc/61/18/65/469611865.db2.gz KYXUPVRQMMRSRR-QGZVFWFLSA-N 2 2 344.503 2.245 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3NC(=O)[C@H]2C)CC1 ZINC000623291440 469611868 /nfs/dbraw/zinc/61/18/68/469611868.db2.gz KYXUPVRQMMRSRR-QGZVFWFLSA-N 2 2 344.503 2.245 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)s1 ZINC000629963860 469683281 /nfs/dbraw/zinc/68/32/81/469683281.db2.gz UICIYXLQSPXRTJ-UHFFFAOYSA-N 2 2 335.517 2.439 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)s1 ZINC000629963860 469683287 /nfs/dbraw/zinc/68/32/87/469683287.db2.gz UICIYXLQSPXRTJ-UHFFFAOYSA-N 2 2 335.517 2.439 10 0 EEAELP C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[NH2+]1 ZINC000626931553 469759403 /nfs/dbraw/zinc/75/94/03/469759403.db2.gz IXUCSWJBSRBDOX-DOTOQJQBSA-N 2 2 345.491 2.402 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000617764635 469795600 /nfs/dbraw/zinc/79/56/00/469795600.db2.gz APZIPFDPGLQOMQ-UHFFFAOYSA-N 2 2 335.467 2.148 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(Cc2ccc(F)cc2)CC1 ZINC000617764635 469795604 /nfs/dbraw/zinc/79/56/04/469795604.db2.gz APZIPFDPGLQOMQ-UHFFFAOYSA-N 2 2 335.467 2.148 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000617767387 469799407 /nfs/dbraw/zinc/79/94/07/469799407.db2.gz SBRCLZKGCMMMCR-UHFFFAOYSA-N 2 2 349.523 2.129 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000617767387 469799408 /nfs/dbraw/zinc/79/94/08/469799408.db2.gz SBRCLZKGCMMMCR-UHFFFAOYSA-N 2 2 349.523 2.129 10 0 EEAELP Cc1csc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)n1 ZINC000623958801 469805709 /nfs/dbraw/zinc/80/57/09/469805709.db2.gz ZTMLEBAOVJREFV-QWHCGFSZSA-N 2 2 333.461 2.027 10 0 EEAELP Cc1nc(NC2CC([NH+]3CCOCC3)C2)c(Br)c(C)[nH+]1 ZINC000624332249 469906537 /nfs/dbraw/zinc/90/65/37/469906537.db2.gz WUDDSPWWETXNPQ-UHFFFAOYSA-N 2 2 341.253 2.131 10 0 EEAELP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614376726 469924290 /nfs/dbraw/zinc/92/42/90/469924290.db2.gz KEBIWAMEQYSNQY-GDBMZVCRSA-N 2 2 330.476 2.428 10 0 EEAELP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000614376726 469924295 /nfs/dbraw/zinc/92/42/95/469924295.db2.gz KEBIWAMEQYSNQY-GDBMZVCRSA-N 2 2 330.476 2.428 10 0 EEAELP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614376726 469924300 /nfs/dbraw/zinc/92/43/00/469924300.db2.gz KEBIWAMEQYSNQY-GDBMZVCRSA-N 2 2 330.476 2.428 10 0 EEAELP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000614376726 469924304 /nfs/dbraw/zinc/92/43/04/469924304.db2.gz KEBIWAMEQYSNQY-GDBMZVCRSA-N 2 2 330.476 2.428 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)CC2 ZINC000624712794 470006527 /nfs/dbraw/zinc/00/65/27/470006527.db2.gz NZNZPTFEROFIGM-QZTJIDSGSA-N 2 2 340.471 2.481 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000628092997 470054886 /nfs/dbraw/zinc/05/48/86/470054886.db2.gz ZKCVLPJNVXOBGB-HOTGVXAUSA-N 2 2 330.476 2.277 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000628092997 470054888 /nfs/dbraw/zinc/05/48/88/470054888.db2.gz ZKCVLPJNVXOBGB-HOTGVXAUSA-N 2 2 330.476 2.277 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000625549005 470163215 /nfs/dbraw/zinc/16/32/15/470163215.db2.gz NEORQMJHOOHQKV-QGZVFWFLSA-N 2 2 330.476 2.088 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886981 470189454 /nfs/dbraw/zinc/18/94/54/470189454.db2.gz NPCKFSLJRCFJMS-MOPGFXCFSA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886981 470189455 /nfs/dbraw/zinc/18/94/55/470189455.db2.gz NPCKFSLJRCFJMS-MOPGFXCFSA-N 2 2 329.488 2.498 10 0 EEAELP Cc1ccsc1[C@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721395 470286273 /nfs/dbraw/zinc/28/62/73/470286273.db2.gz YEAYVGZDLXHBQU-HKUYNNGSSA-N 2 2 346.496 2.317 10 0 EEAELP Cc1ccsc1[C@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721395 470286274 /nfs/dbraw/zinc/28/62/74/470286274.db2.gz YEAYVGZDLXHBQU-HKUYNNGSSA-N 2 2 346.496 2.317 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc2c1CCOC2 ZINC000634727998 470287142 /nfs/dbraw/zinc/28/71/42/470287142.db2.gz MERJUPRZFXFAOQ-HXUWFJFHSA-N 2 2 340.467 2.342 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc2c1CCOC2 ZINC000634727998 470287144 /nfs/dbraw/zinc/28/71/44/470287144.db2.gz MERJUPRZFXFAOQ-HXUWFJFHSA-N 2 2 340.467 2.342 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000648778329 470343761 /nfs/dbraw/zinc/34/37/61/470343761.db2.gz UXMAEIFRQLAXFO-DLBZAZTESA-N 2 2 348.491 2.110 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)C1CC1 ZINC000649916735 470743079 /nfs/dbraw/zinc/74/30/79/470743079.db2.gz MIBLZRNFDNGCPX-FYQPLNBISA-N 2 2 330.472 2.436 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)C1CC1 ZINC000649916735 470743081 /nfs/dbraw/zinc/74/30/81/470743081.db2.gz MIBLZRNFDNGCPX-FYQPLNBISA-N 2 2 330.472 2.436 10 0 EEAELP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)C1CC1 ZINC000649916735 470743082 /nfs/dbraw/zinc/74/30/82/470743082.db2.gz MIBLZRNFDNGCPX-FYQPLNBISA-N 2 2 330.472 2.436 10 0 EEAELP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)C1CC1 ZINC000649916735 470743086 /nfs/dbraw/zinc/74/30/86/470743086.db2.gz MIBLZRNFDNGCPX-FYQPLNBISA-N 2 2 330.472 2.436 10 0 EEAELP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647189106 470852700 /nfs/dbraw/zinc/85/27/00/470852700.db2.gz CMVAOWBFRPGHKU-UHFFFAOYSA-N 2 2 343.475 2.246 10 0 EEAELP COc1ncncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000647189874 470853029 /nfs/dbraw/zinc/85/30/29/470853029.db2.gz WENREZCCCPPUIU-YJBOKZPZSA-N 2 2 326.444 2.485 10 0 EEAELP COc1ncncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000647189874 470853033 /nfs/dbraw/zinc/85/30/33/470853033.db2.gz WENREZCCCPPUIU-YJBOKZPZSA-N 2 2 326.444 2.485 10 0 EEAELP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650780847 470965201 /nfs/dbraw/zinc/96/52/01/470965201.db2.gz GBYCHEPPCGPJQL-WBVHZDCISA-N 2 2 343.475 2.343 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647899761 471011581 /nfs/dbraw/zinc/01/15/81/471011581.db2.gz VOLTYZQPLXNVCY-ZBFHGGJFSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000647899761 471011585 /nfs/dbraw/zinc/01/15/85/471011585.db2.gz VOLTYZQPLXNVCY-ZBFHGGJFSA-N 2 2 347.459 2.106 10 0 EEAELP CCc1[nH+]c2ccccc2n1C1CC[NH+]([C@H]2CON(CC)C2=O)CC1 ZINC000647970091 471031160 /nfs/dbraw/zinc/03/11/60/471031160.db2.gz CCAXERYUMFKTOU-KRWDZBQOSA-N 2 2 342.443 2.398 10 0 EEAELP C[C@H]1CCC[C@@](CNC(=O)Cc2cn3c([nH+]2)CCCC3)([NH+](C)C)C1 ZINC000651164777 471074468 /nfs/dbraw/zinc/07/44/68/471074468.db2.gz GMOCGFLPKYLTAT-HNAYVOBHSA-N 2 2 332.492 2.389 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3C3CCCC3)CC2)CC1 ZINC000651207325 471090122 /nfs/dbraw/zinc/09/01/22/471090122.db2.gz NXCYNFSNQAZGBM-RBUKOAKNSA-N 2 2 333.520 2.488 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000657401252 471126258 /nfs/dbraw/zinc/12/62/58/471126258.db2.gz TWLJIEZOQSQYFU-MJGOQNOKSA-N 2 2 332.492 2.155 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000651550577 471208318 /nfs/dbraw/zinc/20/83/18/471208318.db2.gz ZVMULXQOCHKPGO-QAPCUYQASA-N 2 2 342.487 2.237 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000651550577 471208319 /nfs/dbraw/zinc/20/83/19/471208319.db2.gz ZVMULXQOCHKPGO-QAPCUYQASA-N 2 2 342.487 2.237 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357365 471278532 /nfs/dbraw/zinc/27/85/32/471278532.db2.gz LLWHKOJMRDXSQD-OHDICMOHSA-N 2 2 347.503 2.110 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357365 471278533 /nfs/dbraw/zinc/27/85/33/471278533.db2.gz LLWHKOJMRDXSQD-OHDICMOHSA-N 2 2 347.503 2.110 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3CCC(O)CC3)c2cc1C ZINC000663366865 471342410 /nfs/dbraw/zinc/34/24/10/471342410.db2.gz QLKXABLSIYSYCB-OFLPRAFFSA-N 2 2 331.460 2.155 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000663410282 471363253 /nfs/dbraw/zinc/36/32/53/471363253.db2.gz SPEMOZVQZRVSEJ-GOSISDBHSA-N 2 2 332.492 2.247 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000663410282 471363259 /nfs/dbraw/zinc/36/32/59/471363259.db2.gz SPEMOZVQZRVSEJ-GOSISDBHSA-N 2 2 332.492 2.247 10 0 EEAELP C[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)[N@H+](C)Cc1ccccc1 ZINC000660636554 471426543 /nfs/dbraw/zinc/42/65/43/471426543.db2.gz VRIIPNWIIKZNHZ-CABCVRRESA-N 2 2 329.448 2.301 10 0 EEAELP C[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)[N@@H+](C)Cc1ccccc1 ZINC000660636554 471426549 /nfs/dbraw/zinc/42/65/49/471426549.db2.gz VRIIPNWIIKZNHZ-CABCVRRESA-N 2 2 329.448 2.301 10 0 EEAELP CCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@H+](CC)C1 ZINC000663590337 471440759 /nfs/dbraw/zinc/44/07/59/471440759.db2.gz ITQNGAJQMQBELU-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@@H+](CC)C1 ZINC000663590337 471440764 /nfs/dbraw/zinc/44/07/64/471440764.db2.gz ITQNGAJQMQBELU-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)c1 ZINC000653105957 471489188 /nfs/dbraw/zinc/48/91/88/471489188.db2.gz NYORLMNHCLTCJG-RTBURBONSA-N 2 2 327.472 2.170 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCC[NH2+]2)CC1 ZINC000666770172 471530965 /nfs/dbraw/zinc/53/09/65/471530965.db2.gz OBQCEIHNLNRUKL-IBGZPJMESA-N 3 2 330.520 2.450 10 0 EEAELP CC(C)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c(=O)c1 ZINC000663910869 471573665 /nfs/dbraw/zinc/57/36/65/471573665.db2.gz QPRPLIGRKMLIJN-SFHVURJKSA-N 2 2 348.487 2.418 10 0 EEAELP CC(C)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(O)c(=O)c1 ZINC000663910869 471573668 /nfs/dbraw/zinc/57/36/68/471573668.db2.gz QPRPLIGRKMLIJN-SFHVURJKSA-N 2 2 348.487 2.418 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667046704 471634641 /nfs/dbraw/zinc/63/46/41/471634641.db2.gz FSEJKDJBNGMEEX-RBSFLKMASA-N 2 2 332.492 2.387 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667046704 471634646 /nfs/dbraw/zinc/63/46/46/471634646.db2.gz FSEJKDJBNGMEEX-RBSFLKMASA-N 2 2 332.492 2.387 10 0 EEAELP C[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1[nH+]ccn1C ZINC000667248641 471707994 /nfs/dbraw/zinc/70/79/94/471707994.db2.gz CGLOAMJVMIPFTJ-SWLSCSKDSA-N 2 2 333.411 2.222 10 0 EEAELP c1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000664403644 471741150 /nfs/dbraw/zinc/74/11/50/471741150.db2.gz PRNYZWJCLPVEFU-HNNXBMFYSA-N 2 2 331.464 2.132 10 0 EEAELP c1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000664403644 471741157 /nfs/dbraw/zinc/74/11/57/471741157.db2.gz PRNYZWJCLPVEFU-HNNXBMFYSA-N 2 2 331.464 2.132 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000656702404 471812351 /nfs/dbraw/zinc/81/23/51/471812351.db2.gz PRQPNHFYYLLBFF-IAGOWNOFSA-N 2 2 334.460 2.091 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000656702404 471812355 /nfs/dbraw/zinc/81/23/55/471812355.db2.gz PRQPNHFYYLLBFF-IAGOWNOFSA-N 2 2 334.460 2.091 10 0 EEAELP COc1c(C)[nH+]c(C2CC2)nc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664657629 471825715 /nfs/dbraw/zinc/82/57/15/471825715.db2.gz MCSASMFZGDBDLX-HNNXBMFYSA-N 2 2 334.464 2.218 10 0 EEAELP Cc1nc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)co1 ZINC000660076227 471850589 /nfs/dbraw/zinc/85/05/89/471850589.db2.gz IDDAEVQCTQCCLZ-UHFFFAOYSA-N 2 2 344.459 2.246 10 0 EEAELP C[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000660280823 471927039 /nfs/dbraw/zinc/92/70/39/471927039.db2.gz BPZVGTYETSEJPD-CABCVRRESA-N 2 2 341.459 2.227 10 0 EEAELP C[C@H](CNC(=O)N[C@@H](C)c1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000660280823 471927044 /nfs/dbraw/zinc/92/70/44/471927044.db2.gz BPZVGTYETSEJPD-CABCVRRESA-N 2 2 341.459 2.227 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662092417 471981634 /nfs/dbraw/zinc/98/16/34/471981634.db2.gz AELWBKPSEVVONS-HLLBOEOZSA-N 2 2 341.459 2.443 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662092417 471981640 /nfs/dbraw/zinc/98/16/40/471981640.db2.gz AELWBKPSEVVONS-HLLBOEOZSA-N 2 2 341.459 2.443 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662092419 471982324 /nfs/dbraw/zinc/98/23/24/471982324.db2.gz AELWBKPSEVVONS-YQQAZPJKSA-N 2 2 341.459 2.443 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662092419 471982327 /nfs/dbraw/zinc/98/23/27/471982327.db2.gz AELWBKPSEVVONS-YQQAZPJKSA-N 2 2 341.459 2.443 10 0 EEAELP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319208 472068353 /nfs/dbraw/zinc/06/83/53/472068353.db2.gz KRBGLRBMVHTXRJ-IEBWSBKVSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319208 472068357 /nfs/dbraw/zinc/06/83/57/472068357.db2.gz KRBGLRBMVHTXRJ-IEBWSBKVSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1cn2cc(NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000665951461 472249019 /nfs/dbraw/zinc/24/90/19/472249019.db2.gz LLRDHTVRCLZPKH-INIZCTEOSA-N 2 2 343.431 2.018 10 0 EEAELP Cc1cn2cc(NC(=O)N3CCO[C@H](CCC[NH+](C)C)C3)ccc2[nH+]1 ZINC000665951165 472249769 /nfs/dbraw/zinc/24/97/69/472249769.db2.gz GTFOUABPQKKVBU-MRXNPFEDSA-N 2 2 345.447 2.217 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000668784420 472266833 /nfs/dbraw/zinc/26/68/33/472266833.db2.gz CIZPVJPWQAQFEP-MRXNPFEDSA-N 3 2 334.489 2.476 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CCO1 ZINC000668784420 472266841 /nfs/dbraw/zinc/26/68/41/472266841.db2.gz CIZPVJPWQAQFEP-MRXNPFEDSA-N 3 2 334.489 2.476 10 0 EEAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000679044522 485573211 /nfs/dbraw/zinc/57/32/11/485573211.db2.gz OPZOFUXPOSLNSX-PXNSSMCTSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000679044522 485573216 /nfs/dbraw/zinc/57/32/16/485573216.db2.gz OPZOFUXPOSLNSX-PXNSSMCTSA-N 2 2 332.488 2.418 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](C)[C@@H](F)C3)CC2)c1 ZINC000679218437 485619802 /nfs/dbraw/zinc/61/98/02/485619802.db2.gz LZAKHBGWLWIHMT-MJGOQNOKSA-N 2 2 347.478 2.319 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)[C@@H](F)C3)CC2)c1 ZINC000679218437 485619804 /nfs/dbraw/zinc/61/98/04/485619804.db2.gz LZAKHBGWLWIHMT-MJGOQNOKSA-N 2 2 347.478 2.319 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629542319 485730402 /nfs/dbraw/zinc/73/04/02/485730402.db2.gz DOBUMIXRSPNAIG-HFTRVMKXSA-N 2 2 329.448 2.148 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)Cc1ncc(Br)cc1Cl ZINC000629572596 485736215 /nfs/dbraw/zinc/73/62/15/485736215.db2.gz YFJJTWMLSZNFDB-UHFFFAOYSA-N 2 2 336.661 2.165 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)Cc1ncc(Br)cc1Cl ZINC000629572596 485736221 /nfs/dbraw/zinc/73/62/21/485736221.db2.gz YFJJTWMLSZNFDB-UHFFFAOYSA-N 2 2 336.661 2.165 10 0 EEAELP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCc4[nH+]ccn4C3)cccc21 ZINC000684089792 485757307 /nfs/dbraw/zinc/75/73/07/485757307.db2.gz RWUPRVXVIRFLIA-CZUORRHYSA-N 2 2 340.427 2.469 10 0 EEAELP C[NH+]1CCC(CNC(=O)C2(C(F)F)CCC2)([NH+]2CCCCC2)CC1 ZINC000631530858 485811960 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CRSQWPNGYBDDMJ-XFHKUXJCSA-N 2 2 343.471 2.426 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC001266901880 1177761436 /nfs/dbraw/zinc/76/14/36/1177761436.db2.gz CRSQWPNGYBDDMJ-XFHKUXJCSA-N 2 2 343.471 2.426 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CCCc1ccccc1Cl ZINC001266975524 1177957807 /nfs/dbraw/zinc/95/78/07/1177957807.db2.gz OEGHDGJJIKGSAV-CYBMUJFWSA-N 2 2 334.851 2.333 10 0 EEAELP CC(C)=CC[N@@H+]1CC[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267295049 1178702955 /nfs/dbraw/zinc/70/29/55/1178702955.db2.gz PSNLZALORBGMCV-INIZCTEOSA-N 2 2 330.476 2.166 10 0 EEAELP CC(C)=CC[N@H+]1CC[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267295049 1178702963 /nfs/dbraw/zinc/70/29/63/1178702963.db2.gz PSNLZALORBGMCV-INIZCTEOSA-N 2 2 330.476 2.166 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@H+](CCC1CC1)C1CC1 ZINC001481169643 1179980629 /nfs/dbraw/zinc/98/06/29/1179980629.db2.gz RTXPNYHSPRDICU-UHFFFAOYSA-N 2 2 330.476 2.143 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@@H+](CCC1CC1)C1CC1 ZINC001481169643 1179980634 /nfs/dbraw/zinc/98/06/34/1179980634.db2.gz RTXPNYHSPRDICU-UHFFFAOYSA-N 2 2 330.476 2.143 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC001481199614 1180082594 /nfs/dbraw/zinc/08/25/94/1180082594.db2.gz JARWLUHHZQXYBX-CQSZACIVSA-N 2 2 340.418 2.289 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC001481199614 1180082601 /nfs/dbraw/zinc/08/26/01/1180082601.db2.gz JARWLUHHZQXYBX-CQSZACIVSA-N 2 2 340.418 2.289 10 0 EEAELP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481248475 1180459659 /nfs/dbraw/zinc/45/96/59/1180459659.db2.gz PVZZDVLOTHVHNA-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)c1ccccc1 ZINC001481370507 1181143590 /nfs/dbraw/zinc/14/35/90/1181143590.db2.gz GMUHYHRSIMXQKF-ZACQAIPSSA-N 2 2 326.444 2.381 10 0 EEAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC[C@H]2CC[NH+](CC3CC3)C2)[nH]n1 ZINC001481430748 1181318020 /nfs/dbraw/zinc/31/80/20/1181318020.db2.gz BTNGJLDPWHXGSI-MAUKXSAKSA-N 2 2 345.491 2.028 10 0 EEAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC[C@H]2CC[NH+](CC3CC3)C2)[nH]n1 ZINC001481430748 1181318030 /nfs/dbraw/zinc/31/80/30/1181318030.db2.gz BTNGJLDPWHXGSI-MAUKXSAKSA-N 2 2 345.491 2.028 10 0 EEAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCC[C@H]2CC[N@H+](CC3CC3)C2)[nH]n1 ZINC001481430748 1181318038 /nfs/dbraw/zinc/31/80/38/1181318038.db2.gz BTNGJLDPWHXGSI-MAUKXSAKSA-N 2 2 345.491 2.028 10 0 EEAELP C[NH+]1CCC[C@@H]1c1cc(C(=O)NCC[C@H]2CC[N@@H+](CC3CC3)C2)[nH]n1 ZINC001481430748 1181318046 /nfs/dbraw/zinc/31/80/46/1181318046.db2.gz BTNGJLDPWHXGSI-MAUKXSAKSA-N 2 2 345.491 2.028 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481662498 1182176323 /nfs/dbraw/zinc/17/63/23/1182176323.db2.gz AWUSAEMGCLPPMO-ZDUSSCGKSA-N 2 2 332.835 2.346 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2nccs2)c[nH+]1 ZINC001268373329 1182382162 /nfs/dbraw/zinc/38/21/62/1182382162.db2.gz BLCYUVYHFOPCEN-LBPRGKRZSA-N 2 2 335.477 2.068 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001482048654 1183233351 /nfs/dbraw/zinc/23/33/51/1183233351.db2.gz ZLXCKEPSUOFWLB-SFHVURJKSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CC1CC(C)(C)C1 ZINC001482116353 1183354692 /nfs/dbraw/zinc/35/46/92/1183354692.db2.gz CSGUBZYZANGTCE-ZBFHGGJFSA-N 2 2 332.492 2.224 10 0 EEAELP Cc1cccc(Cl)c1C[NH2+]C/C=C/CNC(=O)Cc1c[nH]c[nH+]1 ZINC001268595579 1183439102 /nfs/dbraw/zinc/43/91/02/1183439102.db2.gz FQIIIIGBMOFADU-NSCUHMNNSA-N 2 2 332.835 2.376 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268952093 1183846289 /nfs/dbraw/zinc/84/62/89/1183846289.db2.gz QIVOAEOUJOMSBY-ZOPGNSJXSA-N 2 2 342.487 2.477 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268952093 1183846292 /nfs/dbraw/zinc/84/62/92/1183846292.db2.gz QIVOAEOUJOMSBY-ZOPGNSJXSA-N 2 2 342.487 2.477 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C1CC1 ZINC001269625762 1184451630 /nfs/dbraw/zinc/45/16/30/1184451630.db2.gz BGTIYDWAHBEUIJ-OAHLLOKOSA-N 2 2 346.397 2.180 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001269736290 1184568798 /nfs/dbraw/zinc/56/87/98/1184568798.db2.gz JPOALLDZUYKNFH-SFHVURJKSA-N 2 2 336.455 2.337 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001269736290 1184568808 /nfs/dbraw/zinc/56/88/08/1184568808.db2.gz JPOALLDZUYKNFH-SFHVURJKSA-N 2 2 336.455 2.337 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CCc1ccccc1 ZINC001270436631 1185097602 /nfs/dbraw/zinc/09/76/02/1185097602.db2.gz PSEURSZCALCLHI-FUHWJXTLSA-N 2 2 340.471 2.030 10 0 EEAELP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001482301097 1185211057 /nfs/dbraw/zinc/21/10/57/1185211057.db2.gz IXUPMKIBYLYJGV-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCc1cccs1 ZINC001271648724 1186353647 /nfs/dbraw/zinc/35/36/47/1186353647.db2.gz LWIZNFHIJRGDSX-HOTGVXAUSA-N 2 2 346.500 2.262 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001482697633 1187667760 /nfs/dbraw/zinc/66/77/60/1187667760.db2.gz YEKGHBWJOHXLLF-DZGCQCFKSA-N 2 2 332.473 2.131 10 0 EEAELP C[C@@H](CC[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482886103 1187802067 /nfs/dbraw/zinc/80/20/67/1187802067.db2.gz QSSINZXVWRLMEN-STQMWFEESA-N 2 2 328.407 2.262 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(Cl)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001482892492 1187819096 /nfs/dbraw/zinc/81/90/96/1187819096.db2.gz XKZGKXZAMRYKOW-CYBMUJFWSA-N 2 2 334.851 2.301 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)Cn1cc[nH+]c1 ZINC001482906302 1187832482 /nfs/dbraw/zinc/83/24/82/1187832482.db2.gz VMRJWNXRMHOARC-AWEZNQCLSA-N 2 2 325.416 2.049 10 0 EEAELP Cc1nocc1C[NH2+]C/C=C\CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001483097384 1188472571 /nfs/dbraw/zinc/47/25/71/1188472571.db2.gz JPPKXZXJYBGVOJ-ZEVQVBBLSA-N 2 2 342.443 2.048 10 0 EEAELP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001483127026 1188593121 /nfs/dbraw/zinc/59/31/21/1188593121.db2.gz FFNWGOQGHZUGOY-ZBFHGGJFSA-N 2 2 348.491 2.021 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001483127026 1188593123 /nfs/dbraw/zinc/59/31/23/1188593123.db2.gz FFNWGOQGHZUGOY-ZBFHGGJFSA-N 2 2 348.491 2.021 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001483175706 1189027161 /nfs/dbraw/zinc/02/71/61/1189027161.db2.gz WUSCYPKMFQDVIZ-NWDGAFQWSA-N 2 2 336.386 2.161 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001483175706 1189027165 /nfs/dbraw/zinc/02/71/65/1189027165.db2.gz WUSCYPKMFQDVIZ-NWDGAFQWSA-N 2 2 336.386 2.161 10 0 EEAELP CC(C)COCC[NH2+][C@@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485892151 1193631802 /nfs/dbraw/zinc/63/18/02/1193631802.db2.gz MYSPVGHBFRWPSQ-AWEZNQCLSA-N 2 2 332.448 2.286 10 0 EEAELP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1cc(O)ccc1Cl ZINC001409680741 1190180030 /nfs/dbraw/zinc/18/00/30/1190180030.db2.gz KTKAZLDLKMWXHG-CYBMUJFWSA-N 2 2 339.867 2.078 10 0 EEAELP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001409680741 1190180034 /nfs/dbraw/zinc/18/00/34/1190180034.db2.gz KTKAZLDLKMWXHG-CYBMUJFWSA-N 2 2 339.867 2.078 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001483242113 1190271741 /nfs/dbraw/zinc/27/17/41/1190271741.db2.gz BEOZHKCPFAOGTI-DLBZAZTESA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](C[N@H+](C)CCC1CCOCC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001483392523 1190436530 /nfs/dbraw/zinc/43/65/30/1190436530.db2.gz ZNAAEAYJPQUVKO-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H](C[N@@H+](C)CCC1CCOCC1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001483392523 1190436532 /nfs/dbraw/zinc/43/65/32/1190436532.db2.gz ZNAAEAYJPQUVKO-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483571857 1190559919 /nfs/dbraw/zinc/55/99/19/1190559919.db2.gz UOWFTEDZMKLNPY-MSOLQXFVSA-N 2 2 342.487 2.430 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001272598219 1190913232 /nfs/dbraw/zinc/91/32/32/1190913232.db2.gz BIADTIUSCCSSEL-MRXNPFEDSA-N 2 2 326.444 2.289 10 0 EEAELP CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1)[NH+](C)C ZINC001409905088 1190992685 /nfs/dbraw/zinc/99/26/85/1190992685.db2.gz CJJCODZPUOBMMB-IUODEOHRSA-N 2 2 338.521 2.037 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1)c1ccc(F)cc1F ZINC001483796134 1191027419 /nfs/dbraw/zinc/02/74/19/1191027419.db2.gz CGYBFZAAFSYNIH-GFCCVEGCSA-N 2 2 334.370 2.161 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CCC1CCOCC1)C1CCCC1 ZINC001484007459 1191152368 /nfs/dbraw/zinc/15/23/68/1191152368.db2.gz CRSRSUMYIWDXKZ-SFHVURJKSA-N 2 2 348.491 2.034 10 0 EEAELP CC(C)(C(=O)N1CC[C@H](CC[NH2+]Cc2ccccn2)C1)c1c[nH+]c[nH]1 ZINC001484547932 1191408759 /nfs/dbraw/zinc/40/87/59/1191408759.db2.gz UYIPWGZWGSKVNF-HNNXBMFYSA-N 2 2 341.459 2.111 10 0 EEAELP Cc1csc(C[NH2+]CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)n1 ZINC001484550933 1191410063 /nfs/dbraw/zinc/41/00/63/1191410063.db2.gz YQYSUHQCNROXFB-AWEZNQCLSA-N 2 2 347.488 2.054 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCO[C@H](C[NH2+]CCC3CC3)C2)c(C)[nH+]1 ZINC001484684203 1191470335 /nfs/dbraw/zinc/47/03/35/1191470335.db2.gz NCTQVAMYAHNIGZ-QGZVFWFLSA-N 2 2 331.460 2.238 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCCCF ZINC001485044832 1191624612 /nfs/dbraw/zinc/62/46/12/1191624612.db2.gz DJHDZZCKCSAALO-VQIMIIECSA-N 2 2 344.434 2.464 10 0 EEAELP CO[C@@H](C[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001485069146 1191636537 /nfs/dbraw/zinc/63/65/37/1191636537.db2.gz JPVLWLBTCWSJKL-ROUUACIJSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@@H](C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1)C1CCCC1 ZINC001485069146 1191636538 /nfs/dbraw/zinc/63/65/38/1191636538.db2.gz JPVLWLBTCWSJKL-ROUUACIJSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC[C@H]1CCCCO1 ZINC001485077045 1191645045 /nfs/dbraw/zinc/64/50/45/1191645045.db2.gz XRFDYKGQMJUOOE-IAGOWNOFSA-N 2 2 348.491 2.143 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC[C@H]1CCCCO1 ZINC001485077045 1191645047 /nfs/dbraw/zinc/64/50/47/1191645047.db2.gz XRFDYKGQMJUOOE-IAGOWNOFSA-N 2 2 348.491 2.143 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1cccnc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485254279 1191704945 /nfs/dbraw/zinc/70/49/45/1191704945.db2.gz PWEOVLHLNJFBQW-HZPDHXFCSA-N 2 2 341.459 2.183 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1cccnc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485254279 1191704946 /nfs/dbraw/zinc/70/49/46/1191704946.db2.gz PWEOVLHLNJFBQW-HZPDHXFCSA-N 2 2 341.459 2.183 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)Cn2cc[nH+]c2)o1 ZINC001485265722 1191711059 /nfs/dbraw/zinc/71/10/59/1191711059.db2.gz KZTFXPMCLLJKCF-AWEZNQCLSA-N 2 2 333.436 2.015 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485355402 1191760201 /nfs/dbraw/zinc/76/02/01/1191760201.db2.gz GBFZGAGAHGHYJW-UONOGXRCSA-N 2 2 330.432 2.159 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485355402 1191760202 /nfs/dbraw/zinc/76/02/02/1191760202.db2.gz GBFZGAGAHGHYJW-UONOGXRCSA-N 2 2 330.432 2.159 10 0 EEAELP CCCC[NH2+][C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@H]1C(F)(F)F ZINC001486453021 1193975181 /nfs/dbraw/zinc/97/51/81/1193975181.db2.gz UAZBZYVLBJLCQI-OCCSQVGLSA-N 2 2 346.397 2.430 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccon2)CC1)[NH+](CC)CC ZINC001486515074 1194034260 /nfs/dbraw/zinc/03/42/60/1194034260.db2.gz ATFIEAGSNYNDPD-KRWDZBQOSA-N 2 2 334.464 2.043 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2ccon2)CC1)[NH+](CC)CC ZINC001486515074 1194034265 /nfs/dbraw/zinc/03/42/65/1194034265.db2.gz ATFIEAGSNYNDPD-KRWDZBQOSA-N 2 2 334.464 2.043 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@@H+](C/C=C\c2ccccc2)CC1 ZINC001486521819 1194044066 /nfs/dbraw/zinc/04/40/66/1194044066.db2.gz NNWYRZYSIDYHIG-DAXSKMNVSA-N 2 2 336.439 2.345 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC001410893354 1198547617 /nfs/dbraw/zinc/54/76/17/1198547617.db2.gz GWHMHZRVIJWLFX-RDJZCZTQSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1cscn1)CC2 ZINC001410893354 1198547624 /nfs/dbraw/zinc/54/76/24/1198547624.db2.gz GWHMHZRVIJWLFX-RDJZCZTQSA-N 2 2 336.505 2.098 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870093876 1200462964 /nfs/dbraw/zinc/46/29/64/1200462964.db2.gz XPWLZLQUQZBMRN-PBHICJAKSA-N 2 2 342.443 2.275 10 0 EEAELP Cc1cc(F)ncc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000866116013 1201437699 /nfs/dbraw/zinc/43/76/99/1201437699.db2.gz ZVLXYHFDHGNAFB-UHFFFAOYSA-N 2 2 348.466 2.209 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000866703314 1201584755 /nfs/dbraw/zinc/58/47/55/1201584755.db2.gz KYJUORXAHPDLND-IBGZPJMESA-N 2 2 349.475 2.339 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000866703314 1201584759 /nfs/dbraw/zinc/58/47/59/1201584759.db2.gz KYJUORXAHPDLND-IBGZPJMESA-N 2 2 349.475 2.339 10 0 EEAELP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866708608 1201586370 /nfs/dbraw/zinc/58/63/70/1201586370.db2.gz SBTSVMZTCRWCMT-LJQANCHMSA-N 2 2 347.459 2.109 10 0 EEAELP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866708608 1201586374 /nfs/dbraw/zinc/58/63/74/1201586374.db2.gz SBTSVMZTCRWCMT-LJQANCHMSA-N 2 2 347.459 2.109 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001274243848 1204972635 /nfs/dbraw/zinc/97/26/35/1204972635.db2.gz COMJFLUSLYYMRN-ZMXQLYDGSA-N 2 2 342.418 2.362 10 0 EEAELP Cc1ncsc1C[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275452476 1205367605 /nfs/dbraw/zinc/36/76/05/1205367605.db2.gz PTFLRKZTDLAIII-NEPJUHHUSA-N 2 2 343.456 2.396 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001275718225 1205497332 /nfs/dbraw/zinc/49/73/32/1205497332.db2.gz VUOVBLFDOAMGAH-QAMKJQMISA-N 2 2 338.883 2.350 10 0 EEAELP CN(CCC[NH2+]Cc1c(F)cccc1Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001276298158 1205873489 /nfs/dbraw/zinc/87/34/89/1205873489.db2.gz QDGLSVWNNFIXRF-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP O=C(CC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)N1CCN(c2cccc[nH+]2)CC1 ZINC000924876882 1206045336 /nfs/dbraw/zinc/04/53/36/1206045336.db2.gz AETDTNQODOYJBJ-KSZLIROESA-N 2 2 340.471 2.065 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000925564081 1206128804 /nfs/dbraw/zinc/12/88/04/1206128804.db2.gz QVGVRPLVDLIHPJ-KBXCAEBGSA-N 2 2 343.471 2.279 10 0 EEAELP COc1ccc2c(c1)C[C@H](C[N@@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)O2 ZINC000930319584 1206549048 /nfs/dbraw/zinc/54/90/48/1206549048.db2.gz NBPRHEGNGPYTTL-IEBWSBKVSA-N 2 2 346.471 2.185 10 0 EEAELP COc1ccc2c(c1)C[C@H](C[N@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)O2 ZINC000930319584 1206549049 /nfs/dbraw/zinc/54/90/49/1206549049.db2.gz NBPRHEGNGPYTTL-IEBWSBKVSA-N 2 2 346.471 2.185 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440036 1207380499 /nfs/dbraw/zinc/38/04/99/1207380499.db2.gz DJZCPRWKHQETDQ-OWCLPIDISA-N 2 2 345.512 2.397 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440036 1207380501 /nfs/dbraw/zinc/38/05/01/1207380501.db2.gz DJZCPRWKHQETDQ-OWCLPIDISA-N 2 2 345.512 2.397 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440036 1207380502 /nfs/dbraw/zinc/38/05/02/1207380502.db2.gz DJZCPRWKHQETDQ-OWCLPIDISA-N 2 2 345.512 2.397 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440036 1207380506 /nfs/dbraw/zinc/38/05/06/1207380506.db2.gz DJZCPRWKHQETDQ-OWCLPIDISA-N 2 2 345.512 2.397 10 0 EEAELP CC(C)(C)OC(=O)N1CC[C@@H](C[N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931512955 1207401810 /nfs/dbraw/zinc/40/18/10/1207401810.db2.gz OYAGBTCCHOPYNW-ZDUSSCGKSA-N 2 2 332.448 2.279 10 0 EEAELP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931512955 1207401814 /nfs/dbraw/zinc/40/18/14/1207401814.db2.gz OYAGBTCCHOPYNW-ZDUSSCGKSA-N 2 2 332.448 2.279 10 0 EEAELP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902796075 1238550875 /nfs/dbraw/zinc/55/08/75/1238550875.db2.gz MGHPTRILIBKZAM-IRXDYDNUSA-N 3 2 327.476 2.159 10 0 EEAELP COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902958999 1239194093 /nfs/dbraw/zinc/19/40/93/1239194093.db2.gz AHCWGPWDOTWTFG-AYOQOUSVSA-N 2 2 345.443 2.343 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)c1cccc(-n2ccnc2)c1 ZINC000903005267 1239314858 /nfs/dbraw/zinc/31/48/58/1239314858.db2.gz QDPCLNYQRIWQPZ-QFBILLFUSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)c1cccc(-n2ccnc2)c1 ZINC000903005267 1239314867 /nfs/dbraw/zinc/31/48/67/1239314867.db2.gz QDPCLNYQRIWQPZ-QFBILLFUSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000903087703 1239699410 /nfs/dbraw/zinc/69/94/10/1239699410.db2.gz HAQKZHPRYFDOKI-RHSMWYFYSA-N 2 2 333.457 2.490 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001273466518 1278558457 /nfs/dbraw/zinc/55/84/57/1278558457.db2.gz HOCHDLZSKSCOMS-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)Cc1c[nH+]cn1C ZINC001273709905 1283826044 /nfs/dbraw/zinc/82/60/44/1283826044.db2.gz BVPXPBYHWYGYLW-UHFFFAOYSA-N 2 2 334.851 2.254 10 0 EEAELP C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccn1)[NH+]1CCCCCC1 ZINC001488666826 1290117929 /nfs/dbraw/zinc/11/79/29/1290117929.db2.gz HFZNKOXOTYGNDE-PKOBYXMFSA-N 2 2 344.503 2.379 10 0 EEAELP C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccn1)[NH+]1CCCCCC1 ZINC001488666826 1290117935 /nfs/dbraw/zinc/11/79/35/1290117935.db2.gz HFZNKOXOTYGNDE-PKOBYXMFSA-N 2 2 344.503 2.379 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@@H+]1C ZINC000851798122 1291841496 /nfs/dbraw/zinc/84/14/96/1291841496.db2.gz YIDYJSYQPNZVSZ-OWCLPIDISA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@H+]1C ZINC000851798122 1291841505 /nfs/dbraw/zinc/84/15/05/1291841505.db2.gz YIDYJSYQPNZVSZ-OWCLPIDISA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH+]1C ZINC000851798122 1291841514 /nfs/dbraw/zinc/84/15/14/1291841514.db2.gz YIDYJSYQPNZVSZ-OWCLPIDISA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH+]1C ZINC000851798122 1291841525 /nfs/dbraw/zinc/84/15/25/1291841525.db2.gz YIDYJSYQPNZVSZ-OWCLPIDISA-N 2 2 341.496 2.037 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590978 1293574457 /nfs/dbraw/zinc/57/44/57/1293574457.db2.gz GCUVWQMHLAUJFJ-DYVFJYSZSA-N 2 2 345.447 2.439 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590978 1293574460 /nfs/dbraw/zinc/57/44/60/1293574460.db2.gz GCUVWQMHLAUJFJ-DYVFJYSZSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590978 1293574464 /nfs/dbraw/zinc/57/44/64/1293574464.db2.gz GCUVWQMHLAUJFJ-DYVFJYSZSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590978 1293574468 /nfs/dbraw/zinc/57/44/68/1293574468.db2.gz GCUVWQMHLAUJFJ-DYVFJYSZSA-N 2 2 345.447 2.439 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCc2ccsc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC001278316571 1309365156 /nfs/dbraw/zinc/36/51/56/1309365156.db2.gz SZLNHNHFIBUYNF-PBHICJAKSA-N 2 2 346.500 2.236 10 0 EEAELP C[C@@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@@H+]1Cc1ccon1 ZINC001278532249 1317160955 /nfs/dbraw/zinc/16/09/55/1317160955.db2.gz ALWSGUQOSDETLQ-SJLPKXTDSA-N 2 2 348.491 2.410 10 0 EEAELP C[C@@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@H+]1Cc1ccon1 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2 2 348.491 2.363 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2Cl)C1 ZINC001265563772 1323222313 /nfs/dbraw/zinc/22/23/13/1323222313.db2.gz QZGDHABPCBNENY-GASCZTMLSA-N 2 2 346.862 2.475 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001265611414 1323265600 /nfs/dbraw/zinc/26/56/00/1323265600.db2.gz OUNBWZHAUUCXAH-OAHLLOKOSA-N 2 2 346.500 2.475 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001265611414 1323265609 /nfs/dbraw/zinc/26/56/09/1323265609.db2.gz OUNBWZHAUUCXAH-OAHLLOKOSA-N 2 2 346.500 2.475 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CCOC1CCCCCC1 ZINC001265856076 1323430370 /nfs/dbraw/zinc/43/03/70/1323430370.db2.gz IULUNARXCFLAAC-AWEZNQCLSA-N 2 2 336.480 2.094 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001265990324 1323548749 /nfs/dbraw/zinc/54/87/49/1323548749.db2.gz PKHJRXDNOOCBGU-CVEARBPZSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCOCC3CC3)C2)c(C)[nH+]1 ZINC001266002646 1323557911 /nfs/dbraw/zinc/55/79/11/1323557911.db2.gz ZAMFOKFHUWWBER-GOSISDBHSA-N 2 2 345.487 2.485 10 0 EEAELP CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001266084826 1323642128 /nfs/dbraw/zinc/64/21/28/1323642128.db2.gz JLMNSGAPKQXPCU-GOSISDBHSA-N 2 2 340.471 2.304 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](Cc1ccsc1)C1CC1 ZINC001266171858 1323740093 /nfs/dbraw/zinc/74/00/93/1323740093.db2.gz NCVVZJQFGYQSCD-UHFFFAOYSA-N 2 2 332.473 2.493 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](Cc1ccsc1)C1CC1 ZINC001266171858 1323740096 /nfs/dbraw/zinc/74/00/96/1323740096.db2.gz NCVVZJQFGYQSCD-UHFFFAOYSA-N 2 2 332.473 2.493 10 0 EEAELP O=C(Cn1cc[nH+]c1)N(CC[NH2+]C/C=C\Cl)Cc1ccccc1 ZINC001279327294 1323875048 /nfs/dbraw/zinc/87/50/48/1323875048.db2.gz BKWPAZKYNLYEHW-DAXSKMNVSA-N 2 2 332.835 2.254 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001281888079 1325499529 /nfs/dbraw/zinc/49/95/29/1325499529.db2.gz XISXIIFPNDWVIX-RDJZCZTQSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001281888079 1325499532 /nfs/dbraw/zinc/49/95/32/1325499532.db2.gz XISXIIFPNDWVIX-RDJZCZTQSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284630239 1326638955 /nfs/dbraw/zinc/63/89/55/1326638955.db2.gz IHAZAETVCHPIHK-CQSZACIVSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)C[N@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001284917877 1326775667 /nfs/dbraw/zinc/77/56/67/1326775667.db2.gz SJWBLLVFHYIGSU-UHFFFAOYSA-N 2 2 330.476 2.166 10 0 EEAELP CC(C)C[N@@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001284917877 1326775670 /nfs/dbraw/zinc/77/56/70/1326775670.db2.gz SJWBLLVFHYIGSU-UHFFFAOYSA-N 2 2 330.476 2.166 10 0 EEAELP COc1cccc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1C ZINC001491595137 1330178019 /nfs/dbraw/zinc/17/80/19/1330178019.db2.gz MFXDKPPUEOWIBC-HUUCEWRRSA-N 2 2 344.459 2.446 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001491767511 1330248048 /nfs/dbraw/zinc/24/80/48/1330248048.db2.gz MACDCACUQRJMPD-LBPRGKRZSA-N 2 2 332.370 2.184 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)CCc2c[nH+]cn2C)c(C)n1 ZINC001492120873 1330489946 /nfs/dbraw/zinc/48/99/46/1330489946.db2.gz YHBSVNKJGZLDFV-CQSZACIVSA-N 2 2 343.475 2.049 10 0 EEAELP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCC(F)(F)C1 ZINC001316839723 1331926198 /nfs/dbraw/zinc/92/61/98/1331926198.db2.gz RCXLCOCSWHFHNB-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)C[C@H]1CCC(F)(F)C1 ZINC001316839723 1331926201 /nfs/dbraw/zinc/92/62/01/1331926201.db2.gz RCXLCOCSWHFHNB-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001316942295 1332005185 /nfs/dbraw/zinc/00/51/85/1332005185.db2.gz AKCBOQAUVKDJIS-INIZCTEOSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)COCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001316942295 1332005186 /nfs/dbraw/zinc/00/51/86/1332005186.db2.gz 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347.488 2.073 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC001327923237 1334364264 /nfs/dbraw/zinc/36/42/64/1334364264.db2.gz IWTINCLTHJQEKN-QFBILLFUSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc3cccnc3)ccn12 ZINC001329037096 1334572839 /nfs/dbraw/zinc/57/28/39/1334572839.db2.gz PNJKPXAPLNPHGV-GJZGRUSLSA-N 2 2 337.427 2.334 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001330322739 1334823318 /nfs/dbraw/zinc/82/33/18/1334823318.db2.gz XIHCODPJNUYGFS-YPQRDLJASA-N 2 2 330.476 2.003 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@@H]2C(CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001330322739 1334823320 /nfs/dbraw/zinc/82/33/20/1334823320.db2.gz XIHCODPJNUYGFS-YPQRDLJASA-N 2 2 330.476 2.003 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001330403995 1334837361 /nfs/dbraw/zinc/83/73/61/1334837361.db2.gz KRHVKHASMABJQY-ZBFHGGJFSA-N 2 2 337.439 2.186 10 0 EEAELP 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EEAELP C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)[C@H]2C1 ZINC001650603881 1354017415 /nfs/dbraw/zinc/01/74/15/1354017415.db2.gz AAPHGOLBXQMCLQ-MHORFTMASA-N 2 2 338.455 2.388 10 0 EEAELP C[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[C@@H](c3[nH]cc[nH+]3)c3ccccc3)[C@H]2C1 ZINC001650603881 1354017423 /nfs/dbraw/zinc/01/74/23/1354017423.db2.gz AAPHGOLBXQMCLQ-MHORFTMASA-N 2 2 338.455 2.388 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001660197676 1354415378 /nfs/dbraw/zinc/41/53/78/1354415378.db2.gz IOTRHSBDTFECSI-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001660197676 1354415381 /nfs/dbraw/zinc/41/53/81/1354415381.db2.gz IOTRHSBDTFECSI-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001661035159 1354577224 /nfs/dbraw/zinc/57/72/24/1354577224.db2.gz SFJZZMLFZCRVIT-CQSZACIVSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001661035159 1354577226 /nfs/dbraw/zinc/57/72/26/1354577226.db2.gz SFJZZMLFZCRVIT-CQSZACIVSA-N 2 2 339.430 2.387 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCOCC1 ZINC001663119541 1354921123 /nfs/dbraw/zinc/92/11/23/1354921123.db2.gz KGPIPDVUQSKSGU-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CCOCC1 ZINC001663119541 1354921126 /nfs/dbraw/zinc/92/11/26/1354921126.db2.gz KGPIPDVUQSKSGU-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC001664027432 1355076477 /nfs/dbraw/zinc/07/64/77/1355076477.db2.gz BRFGHURKFBIYFL-OAHLLOKOSA-N 2 2 346.500 2.372 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001666939277 1355618469 /nfs/dbraw/zinc/61/84/69/1355618469.db2.gz WTNBQLJWDJKYTI-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)c(Cl)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001668258438 1355910285 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344.434 2.379 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC001669974507 1356254077 /nfs/dbraw/zinc/25/40/77/1356254077.db2.gz VVBFSIUYTAIGEJ-WMZOPIPTSA-N 2 2 348.491 2.034 10 0 EEAELP CCC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CCCC1 ZINC001671530613 1356357477 /nfs/dbraw/zinc/35/74/77/1356357477.db2.gz PXAMJJXSKQAXOX-MSOLQXFVSA-N 2 2 347.507 2.465 10 0 EEAELP CCC[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CCCC1 ZINC001671530613 1356357478 /nfs/dbraw/zinc/35/74/78/1356357478.db2.gz PXAMJJXSKQAXOX-MSOLQXFVSA-N 2 2 347.507 2.465 10 0 EEAELP CC(C)OCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001672286639 1356493609 /nfs/dbraw/zinc/49/36/09/1356493609.db2.gz JWUSDHMDMKQYGN-ZBFHGGJFSA-N 2 2 344.459 2.286 10 0 EEAELP CCCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001673045155 1356636975 /nfs/dbraw/zinc/63/69/75/1356636975.db2.gz WUOFQDNTLLVLRM-ROUUACIJSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001673045155 1356636981 /nfs/dbraw/zinc/63/69/81/1356636981.db2.gz WUOFQDNTLLVLRM-ROUUACIJSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001673045155 1356636987 /nfs/dbraw/zinc/63/69/87/1356636987.db2.gz WUOFQDNTLLVLRM-ROUUACIJSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001673045155 1356636990 /nfs/dbraw/zinc/63/69/90/1356636990.db2.gz WUOFQDNTLLVLRM-ROUUACIJSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1C[NH+](CCCCc2ccccc2)C1 ZINC001675349307 1356969181 /nfs/dbraw/zinc/96/91/81/1356969181.db2.gz QCBSPQVBEAKUFP-MRXNPFEDSA-N 2 2 340.471 2.412 10 0 EEAELP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001699842508 1405522434 /nfs/dbraw/zinc/52/24/34/1405522434.db2.gz NHGPDJZJQTUULP-VQIMIIECSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000906091861 783694753 /nfs/dbraw/zinc/69/47/53/783694753.db2.gz ZLZXYZMKIGCWFJ-BZUAXINKSA-N 2 2 325.403 2.200 10 0 EEAELP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908415774 785395643 /nfs/dbraw/zinc/39/56/43/785395643.db2.gz YDDONYUKXKMCPH-CRAIPNDOSA-N 2 2 341.459 2.160 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/C3(C)CCOCC3)CC2)CC1 ZINC001136491293 786856459 /nfs/dbraw/zinc/85/64/59/786856459.db2.gz LRXUBYKUMFRDLV-FPYGCLRLSA-N 2 2 349.519 2.034 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@H+]2C)c(C)c1 ZINC000921596978 789839566 /nfs/dbraw/zinc/83/95/66/789839566.db2.gz RCOQOAWBMQVTIS-SJLPKXTDSA-N 2 2 341.459 2.245 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CC[N@@H+]2C)c(C)c1 ZINC000921596978 789839571 /nfs/dbraw/zinc/83/95/71/789839571.db2.gz RCOQOAWBMQVTIS-SJLPKXTDSA-N 2 2 341.459 2.245 10 0 EEAELP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000913637655 794011296 /nfs/dbraw/zinc/01/12/96/794011296.db2.gz JJKVPFMXLYARHM-MRXNPFEDSA-N 2 2 333.863 2.269 10 0 EEAELP O=C(NC12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000913637655 794011304 /nfs/dbraw/zinc/01/13/04/794011304.db2.gz JJKVPFMXLYARHM-MRXNPFEDSA-N 2 2 333.863 2.269 10 0 EEAELP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716703269 796443673 /nfs/dbraw/zinc/44/36/73/796443673.db2.gz XNRUCMLICFQQCQ-XXQMMXQMSA-N 2 2 348.512 2.062 10 0 EEAELP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703269 796443676 /nfs/dbraw/zinc/44/36/76/796443676.db2.gz XNRUCMLICFQQCQ-XXQMMXQMSA-N 2 2 348.512 2.062 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001566070873 1125544966 /nfs/dbraw/zinc/54/49/66/1125544966.db2.gz JQWLTAWUXQHJEH-QGZVFWFLSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCCC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC001566070873 1125544974 /nfs/dbraw/zinc/54/49/74/1125544974.db2.gz JQWLTAWUXQHJEH-QGZVFWFLSA-N 2 2 348.491 2.272 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1cccc2F ZINC001566520935 1125692190 /nfs/dbraw/zinc/69/21/90/1125692190.db2.gz FRURHNXAVVBHFH-QGZVFWFLSA-N 2 2 330.407 2.148 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1cccc2F ZINC001566520935 1125692192 /nfs/dbraw/zinc/69/21/92/1125692192.db2.gz FRURHNXAVVBHFH-QGZVFWFLSA-N 2 2 330.407 2.148 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001437033376 1088860192 /nfs/dbraw/zinc/86/01/92/1088860192.db2.gz OWGQBMDTSDJYLW-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC001437033376 1088860220 /nfs/dbraw/zinc/86/02/20/1088860220.db2.gz OWGQBMDTSDJYLW-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001437172529 1089201098 /nfs/dbraw/zinc/20/10/98/1089201098.db2.gz SSBKLKVBDPTINV-RDJZCZTQSA-N 2 2 326.444 2.048 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cncs1)[NH+]1CCCC1 ZINC001437670281 1090198466 /nfs/dbraw/zinc/19/84/66/1090198466.db2.gz XTNKRGVYLKTSJW-AWEZNQCLSA-N 2 2 336.505 2.098 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1Cc1cncs1)[NH+]1CCCC1 ZINC001437670281 1090198472 /nfs/dbraw/zinc/19/84/72/1090198472.db2.gz XTNKRGVYLKTSJW-AWEZNQCLSA-N 2 2 336.505 2.098 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)CC[C@H]3CCC[NH+]3C)C2)oc1C ZINC001438228636 1090708039 /nfs/dbraw/zinc/70/80/39/1090708039.db2.gz AFULVMIZNCEQQS-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)CC[C@H]3CCC[NH+]3C)C2)oc1C ZINC001438228636 1090708044 /nfs/dbraw/zinc/70/80/44/1090708044.db2.gz AFULVMIZNCEQQS-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)CC[C@H]3CCC[N@@H+]3C)C2)oc1C ZINC001438228636 1090708050 /nfs/dbraw/zinc/70/80/50/1090708050.db2.gz AFULVMIZNCEQQS-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)CC[C@H]3CCC[N@H+]3C)C2)oc1C ZINC001438228636 1090708056 /nfs/dbraw/zinc/70/80/56/1090708056.db2.gz AFULVMIZNCEQQS-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001445402155 1091149827 /nfs/dbraw/zinc/14/98/27/1091149827.db2.gz ZWKDTBCXQPXKGY-WBVHZDCISA-N 2 2 326.444 2.048 10 0 EEAELP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001445569067 1091347384 /nfs/dbraw/zinc/34/73/84/1091347384.db2.gz HISNBAAWJJEPSO-YJBOKZPZSA-N 2 2 340.471 2.302 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1csc(C)n1 ZINC001445732827 1091555601 /nfs/dbraw/zinc/55/56/01/1091555601.db2.gz KNAUFYRIOPWBEN-BBRMVZONSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1csc(C)n1 ZINC001445732827 1091555605 /nfs/dbraw/zinc/55/56/05/1091555605.db2.gz KNAUFYRIOPWBEN-BBRMVZONSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1csc(C)n1 ZINC001445732827 1091555614 /nfs/dbraw/zinc/55/56/14/1091555614.db2.gz KNAUFYRIOPWBEN-BBRMVZONSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1csc(C)n1 ZINC001445732827 1091555620 /nfs/dbraw/zinc/55/56/20/1091555620.db2.gz KNAUFYRIOPWBEN-BBRMVZONSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1nc(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CCn2cc[nH+]c2)co1 ZINC001445893574 1091821655 /nfs/dbraw/zinc/82/16/55/1091821655.db2.gz TXLSBANGFJFSSD-NVXWUHKLSA-N 2 2 345.447 2.034 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CC[C@H]2CNC(=O)C[NH+](C)CC(C)(C)C)cn1 ZINC001446094841 1092121799 /nfs/dbraw/zinc/12/17/99/1092121799.db2.gz IUCINOMNYIUORM-HOTGVXAUSA-N 2 2 347.507 2.014 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CC[C@H]2CNC(=O)C[NH+](C)CC(C)(C)C)cn1 ZINC001446094841 1092121803 /nfs/dbraw/zinc/12/18/03/1092121803.db2.gz IUCINOMNYIUORM-HOTGVXAUSA-N 2 2 347.507 2.014 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC[C@H]2CNC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001446094841 1092121809 /nfs/dbraw/zinc/12/18/09/1092121809.db2.gz IUCINOMNYIUORM-HOTGVXAUSA-N 2 2 347.507 2.014 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC[C@H]2CNC(=O)C[N@@H+](C)CC(C)(C)C)cn1 ZINC001446094841 1092121814 /nfs/dbraw/zinc/12/18/14/1092121814.db2.gz IUCINOMNYIUORM-HOTGVXAUSA-N 2 2 347.507 2.014 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H]2CNC(=O)C[NH+](C)CC(C)(C)C)cn1 ZINC001446094836 1092121839 /nfs/dbraw/zinc/12/18/39/1092121839.db2.gz IUCINOMNYIUORM-CVEARBPZSA-N 2 2 347.507 2.014 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2CC[C@H]2CNC(=O)C[NH+](C)CC(C)(C)C)cn1 ZINC001446094836 1092121844 /nfs/dbraw/zinc/12/18/44/1092121844.db2.gz IUCINOMNYIUORM-CVEARBPZSA-N 2 2 347.507 2.014 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CC[C@H]2CNC(=O)C[N@H+](C)CC(C)(C)C)cn1 ZINC001446094836 1092121848 /nfs/dbraw/zinc/12/18/48/1092121848.db2.gz IUCINOMNYIUORM-CVEARBPZSA-N 2 2 347.507 2.014 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CC[C@H]2CNC(=O)C[N@@H+](C)CC(C)(C)C)cn1 ZINC001446094836 1092121855 /nfs/dbraw/zinc/12/18/55/1092121855.db2.gz IUCINOMNYIUORM-CVEARBPZSA-N 2 2 347.507 2.014 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cc(O)ccc1Cl ZINC001439408778 1092172199 /nfs/dbraw/zinc/17/21/99/1092172199.db2.gz OYUQXACXLGNEQJ-ZDUSSCGKSA-N 2 2 341.883 2.322 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1cc(O)ccc1Cl ZINC001439408778 1092172204 /nfs/dbraw/zinc/17/22/04/1092172204.db2.gz OYUQXACXLGNEQJ-ZDUSSCGKSA-N 2 2 341.883 2.322 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(O)ccc1Cl ZINC001439408778 1092172209 /nfs/dbraw/zinc/17/22/09/1092172209.db2.gz OYUQXACXLGNEQJ-ZDUSSCGKSA-N 2 2 341.883 2.322 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001439408778 1092172215 /nfs/dbraw/zinc/17/22/15/1092172215.db2.gz OYUQXACXLGNEQJ-ZDUSSCGKSA-N 2 2 341.883 2.322 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C[NH2+]Cc2cncs2)C2CC2)c[nH+]1 ZINC001439460959 1092239925 /nfs/dbraw/zinc/23/99/25/1092239925.db2.gz FYGNWAYKGKTYFQ-HNNXBMFYSA-N 2 2 347.488 2.068 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001446181617 1092252299 /nfs/dbraw/zinc/25/22/99/1092252299.db2.gz MCRDNSNNRUUNHV-LSDHHAIUSA-N 2 2 334.464 2.157 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001446181617 1092252312 /nfs/dbraw/zinc/25/23/12/1092252312.db2.gz MCRDNSNNRUUNHV-LSDHHAIUSA-N 2 2 334.464 2.157 10 0 EEAELP COCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001446351233 1092564659 /nfs/dbraw/zinc/56/46/59/1092564659.db2.gz LHLUTTDGTFJHOA-PKOBYXMFSA-N 2 2 348.491 2.041 10 0 EEAELP COCC[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001446351233 1092564672 /nfs/dbraw/zinc/56/46/72/1092564672.db2.gz LHLUTTDGTFJHOA-PKOBYXMFSA-N 2 2 348.491 2.041 10 0 EEAELP CO[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CCC1 ZINC001439791348 1092750272 /nfs/dbraw/zinc/75/02/72/1092750272.db2.gz TVBYOENOLKKWNJ-HOTGVXAUSA-N 2 2 348.491 2.083 10 0 EEAELP CC(C)[NH+]1CCC2(CO[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)CC1 ZINC001439811817 1092780887 /nfs/dbraw/zinc/78/08/87/1092780887.db2.gz QNQFDWLGKYXLQX-DLBZAZTESA-N 2 2 348.491 2.230 10 0 EEAELP CCO[C@@H](C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC1 ZINC001440257131 1093355666 /nfs/dbraw/zinc/35/56/66/1093355666.db2.gz CEAMYKJDWRZKHF-CVEARBPZSA-N 2 2 348.491 2.035 10 0 EEAELP CCO[C@@H](C[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC1 ZINC001440257131 1093355674 /nfs/dbraw/zinc/35/56/74/1093355674.db2.gz CEAMYKJDWRZKHF-CVEARBPZSA-N 2 2 348.491 2.035 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/Cl)[NH+]1CCCC1 ZINC001440275441 1093390996 /nfs/dbraw/zinc/39/09/96/1093390996.db2.gz PJZGXUUMHWBPPV-BWVNKGDMSA-N 2 2 327.900 2.392 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/Cl)[NH+]1CCCC1 ZINC001440275441 1093391007 /nfs/dbraw/zinc/39/10/07/1093391007.db2.gz PJZGXUUMHWBPPV-BWVNKGDMSA-N 2 2 327.900 2.392 10 0 EEAELP O=C(NCC1([NH2+]CCC(F)(F)F)CCC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001440319345 1093455253 /nfs/dbraw/zinc/45/52/53/1093455253.db2.gz XNTIECPFQRJHCA-GHMZBOCLSA-N 2 2 330.354 2.094 10 0 EEAELP O=C(NCC1([NH2+]CCC(F)(F)F)CCC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001440319345 1093455262 /nfs/dbraw/zinc/45/52/62/1093455262.db2.gz XNTIECPFQRJHCA-GHMZBOCLSA-N 2 2 330.354 2.094 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001440410574 1093605108 /nfs/dbraw/zinc/60/51/08/1093605108.db2.gz NKDDTWUMMODCTH-DOTOQJQBSA-N 2 2 344.503 2.417 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001440489535 1093724576 /nfs/dbraw/zinc/72/45/76/1093724576.db2.gz MFLAYKKYXBOIMC-NFAWXSAZSA-N 2 2 340.418 2.357 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001440489535 1093724579 /nfs/dbraw/zinc/72/45/79/1093724579.db2.gz MFLAYKKYXBOIMC-NFAWXSAZSA-N 2 2 340.418 2.357 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001440489535 1093724586 /nfs/dbraw/zinc/72/45/86/1093724586.db2.gz MFLAYKKYXBOIMC-NFAWXSAZSA-N 2 2 340.418 2.357 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C[C@@H]1CCC(F)(F)C1 ZINC001440489535 1093724592 /nfs/dbraw/zinc/72/45/92/1093724592.db2.gz MFLAYKKYXBOIMC-NFAWXSAZSA-N 2 2 340.418 2.357 10 0 EEAELP Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001440839435 1094093918 /nfs/dbraw/zinc/09/39/18/1094093918.db2.gz LIVMJAYEJBZDNG-HZPDHXFCSA-N 2 2 328.460 2.262 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001440852087 1094111432 /nfs/dbraw/zinc/11/14/32/1094111432.db2.gz FVJNIEOKLRGRMR-RYUDHWBXSA-N 2 2 336.386 2.153 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCc1cccs1 ZINC001440940909 1094194007 /nfs/dbraw/zinc/19/40/07/1094194007.db2.gz JDMHQXJMXQRWBB-LSDHHAIUSA-N 2 2 346.500 2.186 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCc1cccs1 ZINC001440940909 1094194010 /nfs/dbraw/zinc/19/40/10/1094194010.db2.gz JDMHQXJMXQRWBB-LSDHHAIUSA-N 2 2 346.500 2.186 10 0 EEAELP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001441165898 1094516605 /nfs/dbraw/zinc/51/66/05/1094516605.db2.gz HDXUTRLAPQHLGC-GJZGRUSLSA-N 2 2 332.492 2.245 10 0 EEAELP Cc1csc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)n1 ZINC001441369895 1094897181 /nfs/dbraw/zinc/89/71/81/1094897181.db2.gz XCTJPQQBDLZLAE-SHTZXODSSA-N 2 2 347.488 2.113 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)n1 ZINC001441646099 1095577955 /nfs/dbraw/zinc/57/79/55/1095577955.db2.gz WMHBDJRTVVKRSB-OAHLLOKOSA-N 2 2 329.448 2.038 10 0 EEAELP Cc1cccnc1C[NH2+][C@H](C)CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001441847268 1095928631 /nfs/dbraw/zinc/92/86/31/1095928631.db2.gz UGWNXTOZVFFJPH-SJLPKXTDSA-N 2 2 343.475 2.468 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1F ZINC001441885963 1096015649 /nfs/dbraw/zinc/01/56/49/1096015649.db2.gz ZHORZEMXQGWYAZ-HOCLYGCPSA-N 2 2 344.434 2.188 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1F ZINC001441885959 1096017155 /nfs/dbraw/zinc/01/71/55/1096017155.db2.gz ZHORZEMXQGWYAZ-GDBMZVCRSA-N 2 2 344.434 2.188 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001442165369 1096424999 /nfs/dbraw/zinc/42/49/99/1096424999.db2.gz RADZHOQISYWSNV-MRXNPFEDSA-N 2 2 347.463 2.132 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001442277672 1096587862 /nfs/dbraw/zinc/58/78/62/1096587862.db2.gz UHSRMXXGNOKWCK-HOCLYGCPSA-N 2 2 344.434 2.269 10 0 EEAELP CC[N@@H+](CC=C(Cl)Cl)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001442705191 1097075533 /nfs/dbraw/zinc/07/55/33/1097075533.db2.gz NOQKZWXQSYXYFN-STQMWFEESA-N 2 2 336.307 2.474 10 0 EEAELP CC[N@H+](CC=C(Cl)Cl)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001442705191 1097075539 /nfs/dbraw/zinc/07/55/39/1097075539.db2.gz NOQKZWXQSYXYFN-STQMWFEESA-N 2 2 336.307 2.474 10 0 EEAELP CC[NH+](CC=C(Cl)Cl)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001442705191 1097075543 /nfs/dbraw/zinc/07/55/43/1097075543.db2.gz NOQKZWXQSYXYFN-STQMWFEESA-N 2 2 336.307 2.474 10 0 EEAELP CC[NH+](CC=C(Cl)Cl)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001442705191 1097075546 /nfs/dbraw/zinc/07/55/46/1097075546.db2.gz NOQKZWXQSYXYFN-STQMWFEESA-N 2 2 336.307 2.474 10 0 EEAELP Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1C ZINC001442842736 1097234119 /nfs/dbraw/zinc/23/41/19/1097234119.db2.gz HQLZYXFSULMKQT-GOSISDBHSA-N 2 2 326.444 2.281 10 0 EEAELP Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1C ZINC001442842736 1097234122 /nfs/dbraw/zinc/23/41/22/1097234122.db2.gz HQLZYXFSULMKQT-GOSISDBHSA-N 2 2 326.444 2.281 10 0 EEAELP O=C(CCC[NH+]1CCCCC1)NCC1C[NH+](Cc2cncc(F)c2)C1 ZINC001443647625 1098144062 /nfs/dbraw/zinc/14/40/62/1098144062.db2.gz DSBBDQGREMHQND-UHFFFAOYSA-N 2 2 348.466 2.035 10 0 EEAELP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001443825823 1098328038 /nfs/dbraw/zinc/32/80/38/1098328038.db2.gz RISVTJYIWBQTHZ-UKRRQHHQSA-N 2 2 347.488 2.332 10 0 EEAELP Cc1ncsc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001443825823 1098328050 /nfs/dbraw/zinc/32/80/50/1098328050.db2.gz RISVTJYIWBQTHZ-UKRRQHHQSA-N 2 2 347.488 2.332 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001443932041 1098452152 /nfs/dbraw/zinc/45/21/52/1098452152.db2.gz ASUJETUXKYGNIB-GJZGRUSLSA-N 2 2 336.480 2.267 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001443932041 1098452154 /nfs/dbraw/zinc/45/21/54/1098452154.db2.gz ASUJETUXKYGNIB-GJZGRUSLSA-N 2 2 336.480 2.267 10 0 EEAELP CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1c(C)noc1C ZINC001444010558 1098526998 /nfs/dbraw/zinc/52/69/98/1098526998.db2.gz PSHREVVQJURWKD-DOMZBBRYSA-N 2 2 333.436 2.124 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)o1 ZINC001444270667 1098828454 /nfs/dbraw/zinc/82/84/54/1098828454.db2.gz XTHQMRWPLNHJFA-UHFFFAOYSA-N 2 2 342.443 2.131 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)co1 ZINC001479808548 1099057330 /nfs/dbraw/zinc/05/73/30/1099057330.db2.gz HAKRGOIKPYJWIZ-RDJZCZTQSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)co1 ZINC001479808548 1099057342 /nfs/dbraw/zinc/05/73/42/1099057342.db2.gz HAKRGOIKPYJWIZ-RDJZCZTQSA-N 2 2 336.480 2.042 10 0 EEAELP CC(C)n1ccc(C[NH+]2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)n1 ZINC001479896052 1099276600 /nfs/dbraw/zinc/27/66/00/1099276600.db2.gz HVBALEBJLMLEAD-UHFFFAOYSA-N 2 2 349.523 2.227 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NCC1([NH2+]Cc2cncs2)CCCC1 ZINC001444535184 1099307605 /nfs/dbraw/zinc/30/76/05/1099307605.db2.gz JVNXHVSCXITGAB-UHFFFAOYSA-N 2 2 347.488 2.339 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc2cscn2)c[nH+]1 ZINC001444650633 1099482729 /nfs/dbraw/zinc/48/27/29/1099482729.db2.gz YPQTXCKIVDQGSK-ZDUSSCGKSA-N 2 2 335.477 2.020 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001480342599 1100108073 /nfs/dbraw/zinc/10/80/73/1100108073.db2.gz VMXQOHHBOOELKU-IRXDYDNUSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001480342599 1100108077 /nfs/dbraw/zinc/10/80/77/1100108077.db2.gz VMXQOHHBOOELKU-IRXDYDNUSA-N 2 2 339.524 2.114 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001480373704 1100154082 /nfs/dbraw/zinc/15/40/82/1100154082.db2.gz RVLUSOIFMJEXMR-QZTJIDSGSA-N 2 2 348.491 2.143 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001480373704 1100154085 /nfs/dbraw/zinc/15/40/85/1100154085.db2.gz RVLUSOIFMJEXMR-QZTJIDSGSA-N 2 2 348.491 2.143 10 0 EEAELP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001480404566 1100218069 /nfs/dbraw/zinc/21/80/69/1100218069.db2.gz BTZRREZPKIMUST-KLAILNCOSA-N 2 2 330.476 2.429 10 0 EEAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1F ZINC001480545701 1100379513 /nfs/dbraw/zinc/37/95/13/1100379513.db2.gz DZOLGNSHKGQEAG-OLZOCXBDSA-N 2 2 336.386 2.407 10 0 EEAELP CCC[N@H+](C)CCC(=O)N(C)C1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001446408602 1100814033 /nfs/dbraw/zinc/81/40/33/1100814033.db2.gz JMYPRWMNKUJQLH-UHFFFAOYSA-N 2 2 346.519 2.127 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N(C)C1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001446408602 1100814039 /nfs/dbraw/zinc/81/40/39/1100814039.db2.gz JMYPRWMNKUJQLH-UHFFFAOYSA-N 2 2 346.519 2.127 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)cc1 ZINC001495302731 1101003551 /nfs/dbraw/zinc/00/35/51/1101003551.db2.gz KSURKAUURZJTEZ-LJQANCHMSA-N 2 2 326.444 2.266 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@]2(C)CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001446610474 1101111023 /nfs/dbraw/zinc/11/10/23/1101111023.db2.gz QUXXDEATYHTKGL-IBGZPJMESA-N 2 2 344.434 2.428 10 0 EEAELP CC(C)c1cccc(C[NH2+]C[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)n1 ZINC001495749694 1101528708 /nfs/dbraw/zinc/52/87/08/1101528708.db2.gz WZNVMEOJMLEUAY-CQSZACIVSA-N 2 2 329.448 2.013 10 0 EEAELP CC(=O)NCC[NH+]1CCC([NH2+]CC[C@H]2CCc3ccccc32)CC1 ZINC001446990916 1101715120 /nfs/dbraw/zinc/71/51/20/1101715120.db2.gz QMUOPWCCPGZQGD-GOSISDBHSA-N 2 2 329.488 2.297 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496078232 1102018693 /nfs/dbraw/zinc/01/86/93/1102018693.db2.gz GFYBUGKAIJEFEF-OAHLLOKOSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496078232 1102018705 /nfs/dbraw/zinc/01/87/05/1102018705.db2.gz GFYBUGKAIJEFEF-OAHLLOKOSA-N 2 2 343.475 2.045 10 0 EEAELP CC[C@H](C)C[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC001447194057 1102175586 /nfs/dbraw/zinc/17/55/86/1102175586.db2.gz BSSMZKYQCWLDSD-HNNXBMFYSA-N 2 2 332.492 2.437 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]CC2CCCCC2)CCOCC1 ZINC001447486357 1102731546 /nfs/dbraw/zinc/73/15/46/1102731546.db2.gz AMGLZKILGSXENH-UHFFFAOYSA-N 2 2 348.491 2.109 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001497838426 1103172555 /nfs/dbraw/zinc/17/25/55/1103172555.db2.gz AIUWCWFEURUDNQ-AEFFLSMTSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)NC(=O)Cc1c[nH+]cn1C ZINC001497963549 1103425174 /nfs/dbraw/zinc/42/51/74/1103425174.db2.gz YHGSAQVCJXTUQN-SJKOYZFVSA-N 2 2 346.862 2.398 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC001447928370 1103620634 /nfs/dbraw/zinc/62/06/34/1103620634.db2.gz LKXFDZWOJXLOFT-UONOGXRCSA-N 2 2 348.878 2.342 10 0 EEAELP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@H+](C)CCC(F)(F)F ZINC001448030224 1103834841 /nfs/dbraw/zinc/83/48/41/1103834841.db2.gz CQHORDJTDXSNAJ-GFCCVEGCSA-N 2 2 346.397 2.151 10 0 EEAELP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@@H+](C)CCC(F)(F)F ZINC001448030224 1103834853 /nfs/dbraw/zinc/83/48/53/1103834853.db2.gz CQHORDJTDXSNAJ-GFCCVEGCSA-N 2 2 346.397 2.151 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](Cc2ccc(C)cc2Cl)C1 ZINC001494573416 1104161296 /nfs/dbraw/zinc/16/12/96/1104161296.db2.gz ZLWCKTKISMPMLQ-UHFFFAOYSA-N 2 2 346.862 2.402 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC001494606437 1104191464 /nfs/dbraw/zinc/19/14/64/1104191464.db2.gz KBTROVNMIGYRIE-UHFFFAOYSA-N 2 2 338.455 2.468 10 0 EEAELP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001494850930 1104453041 /nfs/dbraw/zinc/45/30/41/1104453041.db2.gz NMKVZDAAKCYRSH-WMZOPIPTSA-N 2 2 341.459 2.271 10 0 EEAELP Cc1cncc(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001494850930 1104453042 /nfs/dbraw/zinc/45/30/42/1104453042.db2.gz NMKVZDAAKCYRSH-WMZOPIPTSA-N 2 2 341.459 2.271 10 0 EEAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cncc(F)c1 ZINC001495025829 1104668003 /nfs/dbraw/zinc/66/80/03/1104668003.db2.gz ZUPQLICKSPFACS-HNNXBMFYSA-N 2 2 341.390 2.167 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@H]2CCCNC(=O)CCn2cc[nH+]c2)on1 ZINC001480825754 1107202908 /nfs/dbraw/zinc/20/29/08/1107202908.db2.gz DIDPMTMTNRELSA-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@H]2CCCNC(=O)CCn2cc[nH+]c2)on1 ZINC001480825754 1107202918 /nfs/dbraw/zinc/20/29/18/1107202918.db2.gz DIDPMTMTNRELSA-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001498464682 1107580409 /nfs/dbraw/zinc/58/04/09/1107580409.db2.gz JOZVOFNCBHVTRC-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001498464682 1107580415 /nfs/dbraw/zinc/58/04/15/1107580415.db2.gz JOZVOFNCBHVTRC-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001498464682 1107580421 /nfs/dbraw/zinc/58/04/21/1107580421.db2.gz JOZVOFNCBHVTRC-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001498464682 1107580424 /nfs/dbraw/zinc/58/04/24/1107580424.db2.gz JOZVOFNCBHVTRC-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1 ZINC001493158812 1107610652 /nfs/dbraw/zinc/61/06/52/1107610652.db2.gz JJRRNABLKPFZJS-OAHLLOKOSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC001493158812 1107610656 /nfs/dbraw/zinc/61/06/56/1107610656.db2.gz JJRRNABLKPFZJS-OAHLLOKOSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001493240276 1107749007 /nfs/dbraw/zinc/74/90/07/1107749007.db2.gz IRXLZHSDFRYKQM-LBPRGKRZSA-N 2 2 332.370 2.123 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001493240276 1107749021 /nfs/dbraw/zinc/74/90/21/1107749021.db2.gz IRXLZHSDFRYKQM-LBPRGKRZSA-N 2 2 332.370 2.123 10 0 EEAELP Cc1ccncc1C[NH2+]CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001493587680 1108361474 /nfs/dbraw/zinc/36/14/74/1108361474.db2.gz VHQYOUNILDUXFZ-SFHVURJKSA-N 2 2 343.475 2.422 10 0 EEAELP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001479244228 1110666650 /nfs/dbraw/zinc/66/66/50/1110666650.db2.gz HXSZTRXDZPEGKR-MSOLQXFVSA-N 2 2 332.492 2.235 10 0 EEAELP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001479244228 1110666652 /nfs/dbraw/zinc/66/66/52/1110666652.db2.gz HXSZTRXDZPEGKR-MSOLQXFVSA-N 2 2 332.492 2.235 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1([NH2+]Cc2conc2C)CC1 ZINC001499231049 1112190652 /nfs/dbraw/zinc/19/06/52/1112190652.db2.gz SJAKPSBHWUCIGA-ZDUSSCGKSA-N 2 2 345.447 2.132 10 0 EEAELP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001499488785 1112318566 /nfs/dbraw/zinc/31/85/66/1112318566.db2.gz XTONVBGRJMSQBP-UMNVOXEQSA-N 2 2 349.519 2.175 10 0 EEAELP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001499488785 1112318569 /nfs/dbraw/zinc/31/85/69/1112318569.db2.gz XTONVBGRJMSQBP-UMNVOXEQSA-N 2 2 349.519 2.175 10 0 EEAELP CC[NH+](CC)C[C@@H](F)C(=O)N(C)C1C[NH+](CCc2ccccc2)C1 ZINC001499673174 1112439699 /nfs/dbraw/zinc/43/96/99/1112439699.db2.gz GDPRXCGDCBRDKI-GOSISDBHSA-N 2 2 335.467 2.052 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2F)C1 ZINC001500240744 1112697588 /nfs/dbraw/zinc/69/75/88/1112697588.db2.gz IBOVZIACFIDJGM-SFHVURJKSA-N 2 2 330.407 2.111 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2F)C1 ZINC001500240744 1112697589 /nfs/dbraw/zinc/69/75/89/1112697589.db2.gz IBOVZIACFIDJGM-SFHVURJKSA-N 2 2 330.407 2.111 10 0 EEAELP CC(C)C[C@@H](C(=O)NCC1([NH2+]CC2CC2)CCOCC1)n1cc[nH+]c1 ZINC001500573530 1112949737 /nfs/dbraw/zinc/94/97/37/1112949737.db2.gz DFVFOGNDWBFRCP-KRWDZBQOSA-N 2 2 348.491 2.135 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001501143030 1113213335 /nfs/dbraw/zinc/21/33/35/1113213335.db2.gz HWAMYOHGBUKZFV-OLZOCXBDSA-N 2 2 346.397 2.369 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001501622587 1113403101 /nfs/dbraw/zinc/40/31/01/1113403101.db2.gz ZZYLKWWFDOOPMQ-ZDUSSCGKSA-N 2 2 348.397 2.259 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)on1 ZINC001505764096 1114176543 /nfs/dbraw/zinc/17/65/43/1114176543.db2.gz CMBOAOZHDRQCHC-CVEARBPZSA-N 2 2 344.459 2.098 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)on1 ZINC001505764096 1114176546 /nfs/dbraw/zinc/17/65/46/1114176546.db2.gz CMBOAOZHDRQCHC-CVEARBPZSA-N 2 2 344.459 2.098 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)Cc1ccc(F)cc1 ZINC001505948680 1114295471 /nfs/dbraw/zinc/29/54/71/1114295471.db2.gz SSWWLLBWDKVMMN-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001505948680 1114295473 /nfs/dbraw/zinc/29/54/73/1114295473.db2.gz SSWWLLBWDKVMMN-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP CCCC[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001506537458 1114682714 /nfs/dbraw/zinc/68/27/14/1114682714.db2.gz NOWMVDKMVJXBAH-DGPIVGRDSA-N 2 2 338.883 2.463 10 0 EEAELP C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001506926356 1114978920 /nfs/dbraw/zinc/97/89/20/1114978920.db2.gz FIJJEFCQMHHLSK-IACUBPJLSA-N 2 2 340.418 2.433 10 0 EEAELP C[C@@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001506926356 1114978924 /nfs/dbraw/zinc/97/89/24/1114978924.db2.gz FIJJEFCQMHHLSK-IACUBPJLSA-N 2 2 340.418 2.433 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001507086000 1115100488 /nfs/dbraw/zinc/10/04/88/1115100488.db2.gz AMRXBZZIWWVLRE-AWEZNQCLSA-N 2 2 345.418 2.409 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001507091943 1115103664 /nfs/dbraw/zinc/10/36/64/1115103664.db2.gz LAIBAGJJTNMPBM-DOTOQJQBSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1c[nH+]cn1C ZINC001507293179 1115177354 /nfs/dbraw/zinc/17/73/54/1115177354.db2.gz LBWLZCYXJLJQAJ-TZMCWYRMSA-N 2 2 346.397 2.274 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]C/C=C/Cl)C1 ZINC001507403508 1115252827 /nfs/dbraw/zinc/25/28/27/1115252827.db2.gz OTPVCHYJPFPHND-RGNKIYOUSA-N 2 2 337.851 2.260 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CC[C@@H]1CCOC1)C1CCCCC1 ZINC001568347254 1124430383 /nfs/dbraw/zinc/43/03/83/1124430383.db2.gz YPMJVDRCCXJEBM-WBVHZDCISA-N 2 2 348.491 2.034 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)co1 ZINC001568397941 1124469197 /nfs/dbraw/zinc/46/91/97/1124469197.db2.gz LHMDBFPQFAWXFC-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCC[C@@H]([C@H](C)[NH2+]CCCO)C2)c(C)[nH+]1 ZINC001568408721 1124477916 /nfs/dbraw/zinc/47/79/16/1124477916.db2.gz DGEIOQFBRDYVRR-DOTOQJQBSA-N 2 2 333.476 2.220 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001568649951 1124660822 /nfs/dbraw/zinc/66/08/22/1124660822.db2.gz RGZRZTOXHVNZGR-QGWDSQMDSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH+]cn2C)s1 ZINC001568703749 1124719979 /nfs/dbraw/zinc/71/99/79/1124719979.db2.gz ULPCSTFFQQFIPW-GFCCVEGCSA-N 2 2 349.504 2.111 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)s1)C(=O)CCc1c[nH+]cn1C ZINC001568795207 1124809017 /nfs/dbraw/zinc/80/90/17/1124809017.db2.gz OLJNVYWIIVCIMY-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1cccc(F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC001568875188 1124900291 /nfs/dbraw/zinc/90/02/91/1124900291.db2.gz IBOOOMVJGZISQO-PYKQWIPUSA-N 2 2 342.418 2.047 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001569144118 1125125406 /nfs/dbraw/zinc/12/54/06/1125125406.db2.gz RVDXYHKOGPMPHW-ZDUSSCGKSA-N 2 2 325.416 2.070 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001569144118 1125125409 /nfs/dbraw/zinc/12/54/09/1125125409.db2.gz RVDXYHKOGPMPHW-ZDUSSCGKSA-N 2 2 325.416 2.070 10 0 EEAELP COCCCC[NH2+][C@H]1C[C@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001565866145 1125444492 /nfs/dbraw/zinc/44/44/92/1125444492.db2.gz YWBNBNQCIHVEJX-JCNLHEQBSA-N 2 2 344.459 2.167 10 0 EEAELP Fc1cc(C[NH2+]CCc2cn3c([nH+]2)CCCC3)ccc1-n1cncn1 ZINC000097731772 219052286 /nfs/dbraw/zinc/05/22/86/219052286.db2.gz ZNGCEENRVXTVQV-UHFFFAOYSA-N 2 2 340.406 2.272 10 0 EEAELP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CCC1 ZINC000131350718 539415753 /nfs/dbraw/zinc/41/57/53/539415753.db2.gz XZDRPZUKKZMQLL-MRXNPFEDSA-N 2 2 336.524 2.425 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189548802 539628431 /nfs/dbraw/zinc/62/84/31/539628431.db2.gz VAONHBAWNNTILD-WBVHZDCISA-N 2 2 334.370 2.182 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189548802 539628433 /nfs/dbraw/zinc/62/84/33/539628433.db2.gz VAONHBAWNNTILD-WBVHZDCISA-N 2 2 334.370 2.182 10 0 EEAELP COCc1noc([C@H](C)[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000181901137 234372538 /nfs/dbraw/zinc/37/25/38/234372538.db2.gz DQHFIXFXNCEKKS-UONOGXRCSA-N 2 2 331.420 2.414 10 0 EEAELP COCc1noc([C@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000181901137 234372541 /nfs/dbraw/zinc/37/25/41/234372541.db2.gz DQHFIXFXNCEKKS-UONOGXRCSA-N 2 2 331.420 2.414 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1c[nH+]ccc1N ZINC000422705880 240183537 /nfs/dbraw/zinc/18/35/37/240183537.db2.gz CVDUYPRCJNSEGL-MRXNPFEDSA-N 3 2 339.487 2.092 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1c[nH+]ccc1N ZINC000422705880 240183542 /nfs/dbraw/zinc/18/35/42/240183542.db2.gz CVDUYPRCJNSEGL-MRXNPFEDSA-N 3 2 339.487 2.092 10 0 EEAELP c1ccc(C[N@@H+]2CCC[C@H](N[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826548 240248427 /nfs/dbraw/zinc/24/84/27/240248427.db2.gz CLUZIRAHOGFYDB-UFYCRDLUSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(C[N@H+]2CCC[C@H](N[C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826548 240248430 /nfs/dbraw/zinc/24/84/30/240248430.db2.gz CLUZIRAHOGFYDB-UFYCRDLUSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(CN2CCC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826548 240248437 /nfs/dbraw/zinc/24/84/37/240248437.db2.gz CLUZIRAHOGFYDB-UFYCRDLUSA-N 2 2 329.488 2.008 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1c[nH+]ccc1N ZINC000422773936 240219631 /nfs/dbraw/zinc/21/96/31/240219631.db2.gz VJQYHOJICGIZNG-OAHLLOKOSA-N 3 2 326.444 2.177 10 0 EEAELP COc1ccc(OC(F)F)c(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422875579 240272241 /nfs/dbraw/zinc/27/22/41/240272241.db2.gz PGPYXTAITOJVKA-JKSUJKDBSA-N 2 2 342.386 2.153 10 0 EEAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000268869447 252318645 /nfs/dbraw/zinc/31/86/45/252318645.db2.gz FYVYQPVMMSPVJZ-GDBMZVCRSA-N 2 2 341.446 2.445 10 0 EEAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000268869447 252318647 /nfs/dbraw/zinc/31/86/47/252318647.db2.gz FYVYQPVMMSPVJZ-GDBMZVCRSA-N 2 2 341.446 2.445 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000093404826 285039558 /nfs/dbraw/zinc/03/95/58/285039558.db2.gz GYASQRQPCQOHPL-ZBFHGGJFSA-N 2 2 331.464 2.108 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000093404826 285039559 /nfs/dbraw/zinc/03/95/59/285039559.db2.gz GYASQRQPCQOHPL-ZBFHGGJFSA-N 2 2 331.464 2.108 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC(C)C)C1 ZINC000195252196 256008431 /nfs/dbraw/zinc/00/84/31/256008431.db2.gz SNFIPKHVYXBIOH-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC(C)C)C1 ZINC000195252196 256008434 /nfs/dbraw/zinc/00/84/34/256008434.db2.gz SNFIPKHVYXBIOH-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC(C)C)C1 ZINC000195252196 256008436 /nfs/dbraw/zinc/00/84/36/256008436.db2.gz SNFIPKHVYXBIOH-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC(C)C)C1 ZINC000195252196 256008438 /nfs/dbraw/zinc/00/84/38/256008438.db2.gz SNFIPKHVYXBIOH-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000073828235 292172917 /nfs/dbraw/zinc/17/29/17/292172917.db2.gz CMAZBCHHBABLPX-JKSUJKDBSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000073828235 292172920 /nfs/dbraw/zinc/17/29/20/292172920.db2.gz CMAZBCHHBABLPX-JKSUJKDBSA-N 2 2 335.496 2.459 10 0 EEAELP O=C(C[NH2+]CC1CC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000262667259 152303578 /nfs/dbraw/zinc/30/35/78/152303578.db2.gz KRYRIPBFKBSPKF-AWEZNQCLSA-N 2 2 337.414 2.045 10 0 EEAELP O=C(C[NH2+]CC1CC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000262667259 152303580 /nfs/dbraw/zinc/30/35/80/152303580.db2.gz KRYRIPBFKBSPKF-AWEZNQCLSA-N 2 2 337.414 2.045 10 0 EEAELP Cn1ncc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000130307594 292371117 /nfs/dbraw/zinc/37/11/17/292371117.db2.gz FJMBFICTCHSBQE-UHFFFAOYSA-N 2 2 334.851 2.196 10 0 EEAELP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCn2cc[nH+]c21)[NH+]1CCOCC1 ZINC000081535992 159154461 /nfs/dbraw/zinc/15/44/61/159154461.db2.gz WDHJHROQHCGSQJ-IAGOWNOFSA-N 2 2 348.491 2.014 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656910 160185529 /nfs/dbraw/zinc/18/55/29/160185529.db2.gz ZAJJITOZEHZTOZ-LQKXBSAESA-N 2 2 335.879 2.399 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193656910 160185530 /nfs/dbraw/zinc/18/55/30/160185530.db2.gz ZAJJITOZEHZTOZ-LQKXBSAESA-N 2 2 335.879 2.399 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193656910 160185531 /nfs/dbraw/zinc/18/55/31/160185531.db2.gz ZAJJITOZEHZTOZ-LQKXBSAESA-N 2 2 335.879 2.399 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193656910 160185532 /nfs/dbraw/zinc/18/55/32/160185532.db2.gz ZAJJITOZEHZTOZ-LQKXBSAESA-N 2 2 335.879 2.399 10 0 EEAELP C[C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202415 160230292 /nfs/dbraw/zinc/23/02/92/160230292.db2.gz SDQJALUYKYHRAX-QLFBSQMISA-N 2 2 327.432 2.145 10 0 EEAELP C[C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202415 160230294 /nfs/dbraw/zinc/23/02/94/160230294.db2.gz SDQJALUYKYHRAX-QLFBSQMISA-N 2 2 327.432 2.145 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108473 160310208 /nfs/dbraw/zinc/31/02/08/160310208.db2.gz YFZVDGDJYHDHHI-YOEHRIQHSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108473 160310210 /nfs/dbraw/zinc/31/02/10/160310210.db2.gz YFZVDGDJYHDHHI-YOEHRIQHSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108473 160310212 /nfs/dbraw/zinc/31/02/12/160310212.db2.gz YFZVDGDJYHDHHI-YOEHRIQHSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)C2CC2)o1 ZINC000247108473 160310215 /nfs/dbraw/zinc/31/02/15/160310215.db2.gz YFZVDGDJYHDHHI-YOEHRIQHSA-N 2 2 333.476 2.494 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247277622 160317986 /nfs/dbraw/zinc/31/79/86/160317986.db2.gz DRZFXBHRZIIJHI-HKUYNNGSSA-N 2 2 340.471 2.433 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247277622 160317989 /nfs/dbraw/zinc/31/79/89/160317989.db2.gz DRZFXBHRZIIJHI-HKUYNNGSSA-N 2 2 340.471 2.433 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000247534306 160328290 /nfs/dbraw/zinc/32/82/90/160328290.db2.gz XVSJSHVTAKDSEH-CABCVRRESA-N 2 2 326.444 2.294 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247534306 160328292 /nfs/dbraw/zinc/32/82/92/160328292.db2.gz XVSJSHVTAKDSEH-CABCVRRESA-N 2 2 326.444 2.294 10 0 EEAELP CC(C)[NH+]1CCC(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000345860214 161337973 /nfs/dbraw/zinc/33/79/73/161337973.db2.gz ROKJXLVOMYUZSJ-UHFFFAOYSA-N 2 2 332.370 2.182 10 0 EEAELP COc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1S(C)(=O)=O ZINC000368101444 166050607 /nfs/dbraw/zinc/05/06/07/166050607.db2.gz KHXIUHFKPHOXAS-YPMHNXCESA-N 2 2 349.456 2.030 10 0 EEAELP COc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1S(C)(=O)=O ZINC000368101444 166050608 /nfs/dbraw/zinc/05/06/08/166050608.db2.gz KHXIUHFKPHOXAS-YPMHNXCESA-N 2 2 349.456 2.030 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000369945718 166362925 /nfs/dbraw/zinc/36/29/25/166362925.db2.gz ZQPODHCTPHTFJM-FUHWJXTLSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000369945718 166362927 /nfs/dbraw/zinc/36/29/27/166362927.db2.gz ZQPODHCTPHTFJM-FUHWJXTLSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000369945718 166362929 /nfs/dbraw/zinc/36/29/29/166362929.db2.gz ZQPODHCTPHTFJM-FUHWJXTLSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000369945718 166362930 /nfs/dbraw/zinc/36/29/30/166362930.db2.gz ZQPODHCTPHTFJM-FUHWJXTLSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1n1cc[nH+]c1 ZINC000370043754 166382899 /nfs/dbraw/zinc/38/28/99/166382899.db2.gz VNRRHKHQJRNFBV-AQEOSJORSA-N 2 2 345.491 2.493 10 0 EEAELP CN(CCC[NH+]1CCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000375637239 167172440 /nfs/dbraw/zinc/17/24/40/167172440.db2.gz WSEGCPUORURFNI-UHFFFAOYSA-N 2 2 345.491 2.178 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)CCCOc2ccccc2)CC[N@@H+]1C ZINC000123646891 222310312 /nfs/dbraw/zinc/31/03/12/222310312.db2.gz KVVROKXCAOTZPN-ZWKOTPCHSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)N(C)CCCOc2ccccc2)CC[N@H+]1C ZINC000123646891 222310317 /nfs/dbraw/zinc/31/03/17/222310317.db2.gz KVVROKXCAOTZPN-ZWKOTPCHSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)N(C)CCCOc2ccccc2)CC[NH+]1C ZINC000123646891 222310322 /nfs/dbraw/zinc/31/03/22/222310322.db2.gz KVVROKXCAOTZPN-ZWKOTPCHSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)N(C)CCCOc2ccccc2)CC[NH+]1C ZINC000123646891 222310327 /nfs/dbraw/zinc/31/03/27/222310327.db2.gz KVVROKXCAOTZPN-ZWKOTPCHSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)CCCOc2ccccc2)CC[N@@H+]1C ZINC000123647324 222310861 /nfs/dbraw/zinc/31/08/61/222310861.db2.gz KVVROKXCAOTZPN-ROUUACIJSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)N(C)CCCOc2ccccc2)CC[N@H+]1C ZINC000123647324 222310866 /nfs/dbraw/zinc/31/08/66/222310866.db2.gz KVVROKXCAOTZPN-ROUUACIJSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)N(C)CCCOc2ccccc2)CC[NH+]1C ZINC000123647324 222310870 /nfs/dbraw/zinc/31/08/70/222310870.db2.gz KVVROKXCAOTZPN-ROUUACIJSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)CCCOc2ccccc2)CC[NH+]1C ZINC000123647324 222310874 /nfs/dbraw/zinc/31/08/74/222310874.db2.gz KVVROKXCAOTZPN-ROUUACIJSA-N 2 2 347.503 2.328 10 0 EEAELP Cc1cc(N2CCC[C@H]([NH2+]Cc3c[nH+]c4ccc(C)cn34)C2)n(C)n1 ZINC000277663726 269169432 /nfs/dbraw/zinc/16/94/32/269169432.db2.gz HERWUDKSRLMBNL-INIZCTEOSA-N 2 2 338.459 2.443 10 0 EEAELP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000277570840 274311920 /nfs/dbraw/zinc/31/19/20/274311920.db2.gz QPIZOOKDWGAMNX-MRXNPFEDSA-N 2 2 325.416 2.014 10 0 EEAELP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000277570840 274311923 /nfs/dbraw/zinc/31/19/23/274311923.db2.gz QPIZOOKDWGAMNX-MRXNPFEDSA-N 2 2 325.416 2.014 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292103606 275376758 /nfs/dbraw/zinc/37/67/58/275376758.db2.gz IHBNIDPWQBRQOP-DNVCBOLYSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292103606 275376760 /nfs/dbraw/zinc/37/67/60/275376760.db2.gz IHBNIDPWQBRQOP-DNVCBOLYSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292103606 275376762 /nfs/dbraw/zinc/37/67/62/275376762.db2.gz IHBNIDPWQBRQOP-DNVCBOLYSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292103606 275376764 /nfs/dbraw/zinc/37/67/64/275376764.db2.gz IHBNIDPWQBRQOP-DNVCBOLYSA-N 2 2 331.460 2.440 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292139884 275383133 /nfs/dbraw/zinc/38/31/33/275383133.db2.gz MGPLNGACUUQYET-UZLBHIALSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292139884 275383134 /nfs/dbraw/zinc/38/31/34/275383134.db2.gz MGPLNGACUUQYET-UZLBHIALSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292139884 275383135 /nfs/dbraw/zinc/38/31/35/275383135.db2.gz MGPLNGACUUQYET-UZLBHIALSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292139884 275383136 /nfs/dbraw/zinc/38/31/36/275383136.db2.gz MGPLNGACUUQYET-UZLBHIALSA-N 2 2 327.472 2.382 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267211052 277047103 /nfs/dbraw/zinc/04/71/03/277047103.db2.gz LSHHUFHGHGUOSH-INIZCTEOSA-N 2 2 325.460 2.236 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3ccncc32)CC1 ZINC000267211052 277047104 /nfs/dbraw/zinc/04/71/04/277047104.db2.gz LSHHUFHGHGUOSH-INIZCTEOSA-N 2 2 325.460 2.236 10 0 EEAELP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642042 279196133 /nfs/dbraw/zinc/19/61/33/279196133.db2.gz GPWINVHGJQWJPW-WCVJEAGWSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642042 279196136 /nfs/dbraw/zinc/19/61/36/279196136.db2.gz GPWINVHGJQWJPW-WCVJEAGWSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193642042 279196139 /nfs/dbraw/zinc/19/61/39/279196139.db2.gz GPWINVHGJQWJPW-WCVJEAGWSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193642042 279196140 /nfs/dbraw/zinc/19/61/40/279196140.db2.gz GPWINVHGJQWJPW-WCVJEAGWSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177446683 279322706 /nfs/dbraw/zinc/32/27/06/279322706.db2.gz VWFUPEQGJIGAOM-XMTFNYHQSA-N 2 2 347.507 2.424 10 0 EEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177446683 279322707 /nfs/dbraw/zinc/32/27/07/279322707.db2.gz VWFUPEQGJIGAOM-XMTFNYHQSA-N 2 2 347.507 2.424 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)cn21 ZINC000113620305 281317484 /nfs/dbraw/zinc/31/74/84/281317484.db2.gz YOWANVKBZFMSCE-GOEBONIOSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)cn21 ZINC000113620305 281317487 /nfs/dbraw/zinc/31/74/87/281317487.db2.gz YOWANVKBZFMSCE-GOEBONIOSA-N 2 2 327.432 2.021 10 0 EEAELP COc1ccc(C[C@H](C)C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC ZINC000423021124 295140006 /nfs/dbraw/zinc/14/00/06/295140006.db2.gz DLRGDWSCLTYWBQ-KPOBHBOGSA-N 2 2 348.487 2.239 10 0 EEAELP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccn1 ZINC000158941707 311334770 /nfs/dbraw/zinc/33/47/70/311334770.db2.gz YNUWDWZRKOFVLT-SJLPKXTDSA-N 2 2 332.492 2.455 10 0 EEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)C2 ZINC000332884767 312065290 /nfs/dbraw/zinc/06/52/90/312065290.db2.gz VJTQVTYHLDVVOL-QAPCUYQASA-N 2 2 344.503 2.486 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc[nH+]1 ZINC000333887862 312210316 /nfs/dbraw/zinc/21/03/16/312210316.db2.gz GHAHFWQDOJOVOY-FPXQBCRKSA-N 2 2 345.491 2.280 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH+]cn1 ZINC000333887862 312210318 /nfs/dbraw/zinc/21/03/18/312210318.db2.gz GHAHFWQDOJOVOY-FPXQBCRKSA-N 2 2 345.491 2.280 10 0 EEAELP C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[C@H](C)[NH3+] ZINC000414732129 313071521 /nfs/dbraw/zinc/07/15/21/313071521.db2.gz FZYICRMLIFIZDO-GRYCIOLGSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[C@H](C)[NH3+] ZINC000414732129 313071525 /nfs/dbraw/zinc/07/15/25/313071525.db2.gz FZYICRMLIFIZDO-GRYCIOLGSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000416941107 313368025 /nfs/dbraw/zinc/36/80/25/313368025.db2.gz QDHHNRKSHCXECS-NWDGAFQWSA-N 2 2 335.839 2.257 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528430118 317384558 /nfs/dbraw/zinc/38/45/58/317384558.db2.gz WIZQZSFLIALDOE-SJORKVTESA-N 2 2 343.471 2.475 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H](O)CC1(O)CCC1 ZINC000528430118 317384562 /nfs/dbraw/zinc/38/45/62/317384562.db2.gz WIZQZSFLIALDOE-SJORKVTESA-N 2 2 343.471 2.475 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c32)C1=O ZINC000543103393 318150904 /nfs/dbraw/zinc/15/09/04/318150904.db2.gz HAPXPIAKZDEBHW-INIZCTEOSA-N 2 2 337.427 2.182 10 0 EEAELP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC(=O)NCCc2ccccc2)CC1 ZINC000545865665 318229146 /nfs/dbraw/zinc/22/91/46/318229146.db2.gz UOHNHWZXJBWNCG-SFHVURJKSA-N 2 2 329.488 2.366 10 0 EEAELP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC(=O)NCCc2ccccc2)CC1 ZINC000545865665 318229148 /nfs/dbraw/zinc/22/91/48/318229148.db2.gz UOHNHWZXJBWNCG-SFHVURJKSA-N 2 2 329.488 2.366 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)NCC[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000561146956 318826612 /nfs/dbraw/zinc/82/66/12/318826612.db2.gz KODUYUCVTXEAMV-CVEARBPZSA-N 2 2 345.422 2.090 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000563546695 319021997 /nfs/dbraw/zinc/02/19/97/319021997.db2.gz JFTIBXJARAFGHZ-INIZCTEOSA-N 2 2 330.476 2.420 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000563546695 319021998 /nfs/dbraw/zinc/02/19/98/319021998.db2.gz JFTIBXJARAFGHZ-INIZCTEOSA-N 2 2 330.476 2.420 10 0 EEAELP C[C@H](C[C@H](C)[NH3+])NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000566226976 319262347 /nfs/dbraw/zinc/26/23/47/319262347.db2.gz RZZYYCIKFLHBCD-NWDGAFQWSA-N 2 2 325.482 2.376 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000581429940 324252693 /nfs/dbraw/zinc/25/26/93/324252693.db2.gz QTRXLJNERFALND-KRWDZBQOSA-N 2 2 337.851 2.363 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1Cl ZINC000581429940 324252695 /nfs/dbraw/zinc/25/26/95/324252695.db2.gz QTRXLJNERFALND-KRWDZBQOSA-N 2 2 337.851 2.363 10 0 EEAELP Cc1nc(NC2CC[NH+](CCc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000532626318 448285418 /nfs/dbraw/zinc/28/54/18/448285418.db2.gz UGLACPXVIITHDY-UHFFFAOYSA-N 2 2 340.475 2.365 10 0 EEAELP Cc1nc(N(C)C)nc(NC2CC[NH+](CCc3ccccc3)CC2)[nH+]1 ZINC000532626318 448285425 /nfs/dbraw/zinc/28/54/25/448285425.db2.gz UGLACPXVIITHDY-UHFFFAOYSA-N 2 2 340.475 2.365 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NCCc1cccs1 ZINC000083967511 463569225 /nfs/dbraw/zinc/56/92/25/463569225.db2.gz LXAWLQJHHXRHGR-ZIAGYGMSSA-N 2 2 332.473 2.159 10 0 EEAELP Cc1cc(C)n2c(C[NH2+][C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cnc2n1 ZINC000328628850 465078964 /nfs/dbraw/zinc/07/89/64/465078964.db2.gz HQRMUNNUNRXBIQ-RHSMWYFYSA-N 2 2 340.431 2.090 10 0 EEAELP CCN(CC)C(=O)C1CC[NH+](Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347852439 465266373 /nfs/dbraw/zinc/26/63/73/465266373.db2.gz WSLNMGGBFPCSJA-UHFFFAOYSA-N 2 2 338.521 2.285 10 0 EEAELP Cc1cccn2cc(CNC(=O)[C@H](Cc3ccccc3)[NH+](C)C)[nH+]c12 ZINC000112907663 462552340 /nfs/dbraw/zinc/55/23/40/462552340.db2.gz XENCAXFPSQVLPP-SFHVURJKSA-N 2 2 336.439 2.432 10 0 EEAELP C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@@H]1C ZINC000074767403 462633107 /nfs/dbraw/zinc/63/31/07/462633107.db2.gz HYHNQSDWUXNERH-IRXDYDNUSA-N 2 2 336.524 2.234 10 0 EEAELP CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccn(CCCn2cc[nH+]c2)n1 ZINC000075140693 462684440 /nfs/dbraw/zinc/68/44/40/462684440.db2.gz QOOUGHARMAAYSS-INIZCTEOSA-N 2 2 344.463 2.373 10 0 EEAELP CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccn(CCCn2cc[nH+]c2)n1 ZINC000075140693 462684445 /nfs/dbraw/zinc/68/44/45/462684445.db2.gz QOOUGHARMAAYSS-INIZCTEOSA-N 2 2 344.463 2.373 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C[C@H]1C ZINC000117282595 462793971 /nfs/dbraw/zinc/79/39/71/462793971.db2.gz AEWXXEUQZWPETR-MJGOQNOKSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C[C@H]1C ZINC000117282595 462793972 /nfs/dbraw/zinc/79/39/72/462793972.db2.gz AEWXXEUQZWPETR-MJGOQNOKSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC000117282595 462793974 /nfs/dbraw/zinc/79/39/74/462793974.db2.gz AEWXXEUQZWPETR-MJGOQNOKSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C[C@H]1C ZINC000117282595 462793976 /nfs/dbraw/zinc/79/39/76/462793976.db2.gz AEWXXEUQZWPETR-MJGOQNOKSA-N 2 2 347.503 2.249 10 0 EEAELP C[C@@H]1CC[C@@H](C)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076149756 462816040 /nfs/dbraw/zinc/81/60/40/462816040.db2.gz CKHSMRPEXSSPIE-IAGOWNOFSA-N 2 2 330.476 2.241 10 0 EEAELP C[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076149756 462816043 /nfs/dbraw/zinc/81/60/43/462816043.db2.gz CKHSMRPEXSSPIE-IAGOWNOFSA-N 2 2 330.476 2.241 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3cccc(F)c3F)CC2)cc[nH+]1 ZINC000134138609 463008751 /nfs/dbraw/zinc/00/87/51/463008751.db2.gz HMRLLBCFMFFPAA-UHFFFAOYSA-N 2 2 333.386 2.143 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000136820880 463260742 /nfs/dbraw/zinc/26/07/42/463260742.db2.gz HCYIXDOHZYRDST-UHFFFAOYSA-N 2 2 345.491 2.308 10 0 EEAELP CC(C)CCc1noc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000158987385 463262853 /nfs/dbraw/zinc/26/28/53/463262853.db2.gz MIJWVUAPKYSXRJ-QGZVFWFLSA-N 2 2 349.523 2.260 10 0 EEAELP CC(C)CCc1noc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000158987385 463262857 /nfs/dbraw/zinc/26/28/57/463262857.db2.gz MIJWVUAPKYSXRJ-QGZVFWFLSA-N 2 2 349.523 2.260 10 0 EEAELP COc1ccc([C@@H](CN2CC[NH+](C)CC2)[NH2+]Cc2cccnc2)cc1 ZINC000071792592 463425839 /nfs/dbraw/zinc/42/58/39/463425839.db2.gz QHQACKDQVIFVFK-HXUWFJFHSA-N 2 2 340.471 2.169 10 0 EEAELP Cc1cnn(C[C@@H](C)[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)c1 ZINC000071874993 463449779 /nfs/dbraw/zinc/44/97/79/463449779.db2.gz SMKBLHWMWBMPAE-SJORKVTESA-N 2 2 341.459 2.197 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000105875763 463484047 /nfs/dbraw/zinc/48/40/47/463484047.db2.gz BZMXNPTVHUWDBW-UHFFFAOYSA-N 2 2 344.434 2.130 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000072277919 463494887 /nfs/dbraw/zinc/49/48/87/463494887.db2.gz VNAVPSFEJNZPJR-CRAIPNDOSA-N 2 2 338.455 2.069 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C)[N@H+]1CCc3ccccc3C1)C2 ZINC000072277919 463494891 /nfs/dbraw/zinc/49/48/91/463494891.db2.gz VNAVPSFEJNZPJR-CRAIPNDOSA-N 2 2 338.455 2.069 10 0 EEAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000073812015 463659745 /nfs/dbraw/zinc/65/97/45/463659745.db2.gz NNYKCRXAALWLPQ-KRWDZBQOSA-N 2 2 341.459 2.167 10 0 EEAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000073812015 463659748 /nfs/dbraw/zinc/65/97/48/463659748.db2.gz NNYKCRXAALWLPQ-KRWDZBQOSA-N 2 2 341.459 2.167 10 0 EEAELP COc1cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1O ZINC000044683880 463688957 /nfs/dbraw/zinc/68/89/57/463688957.db2.gz RORCEBHVIQPNMN-NSHDSACASA-N 2 2 341.249 2.490 10 0 EEAELP COc1cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc(Br)c1O ZINC000044683880 463688960 /nfs/dbraw/zinc/68/89/60/463688960.db2.gz RORCEBHVIQPNMN-NSHDSACASA-N 2 2 341.249 2.490 10 0 EEAELP Cc1cc(N2CCN(c3ccc(N)[nH+]c3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000112077737 463689737 /nfs/dbraw/zinc/68/97/37/463689737.db2.gz RWPSJSAEOOQNBI-UHFFFAOYSA-N 2 2 347.426 2.151 10 0 EEAELP COC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000193990636 463768626 /nfs/dbraw/zinc/76/86/26/463768626.db2.gz DWXBZNFTSKZTKP-SJORKVTESA-N 2 2 326.868 2.464 10 0 EEAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@@]1(C)CC[NH2+]C1)CC2 ZINC000261929045 463902996 /nfs/dbraw/zinc/90/29/96/463902996.db2.gz CNDGJEMSVMAXFF-RDJZCZTQSA-N 3 2 334.533 2.429 10 0 EEAELP Cc1nc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000262111819 463949857 /nfs/dbraw/zinc/94/98/57/463949857.db2.gz KLYGJHPYJYXDKW-HNNXBMFYSA-N 2 2 331.489 2.329 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000178750780 463962839 /nfs/dbraw/zinc/96/28/39/463962839.db2.gz CATBZDJHMOBTOB-OAHLLOKOSA-N 2 2 337.427 2.135 10 0 EEAELP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262732583 464040248 /nfs/dbraw/zinc/04/02/48/464040248.db2.gz BSXWTVLQLPJFBZ-HNNXBMFYSA-N 2 2 341.402 2.343 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173527234 464277773 /nfs/dbraw/zinc/27/77/73/464277773.db2.gz RRFDKFLYRGCRGL-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000173527234 464277777 /nfs/dbraw/zinc/27/77/77/464277777.db2.gz RRFDKFLYRGCRGL-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000173527234 464277782 /nfs/dbraw/zinc/27/77/82/464277782.db2.gz RRFDKFLYRGCRGL-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000173527234 464277784 /nfs/dbraw/zinc/27/77/84/464277784.db2.gz RRFDKFLYRGCRGL-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180673627 464366876 /nfs/dbraw/zinc/36/68/76/464366876.db2.gz OAHINNBMMNHWKA-LSDHHAIUSA-N 2 2 330.432 2.064 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000189083584 464429837 /nfs/dbraw/zinc/42/98/37/464429837.db2.gz LCKYCMZXPNBVQR-GPANFISMSA-N 2 2 341.455 2.278 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000189083584 464429844 /nfs/dbraw/zinc/42/98/44/464429844.db2.gz LCKYCMZXPNBVQR-GPANFISMSA-N 2 2 341.455 2.278 10 0 EEAELP CC[C@H]1CN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000174737651 464444883 /nfs/dbraw/zinc/44/48/83/464444883.db2.gz LOIMZKMWZPMDDF-IRXDYDNUSA-N 2 2 347.507 2.260 10 0 EEAELP CC[C@H]1CN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC[N@H+]1CCOC ZINC000174737651 464444888 /nfs/dbraw/zinc/44/48/88/464444888.db2.gz LOIMZKMWZPMDDF-IRXDYDNUSA-N 2 2 347.507 2.260 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000175541831 464571292 /nfs/dbraw/zinc/57/12/92/464571292.db2.gz OKYJDMXYTLCIQK-JKSUJKDBSA-N 2 2 345.447 2.261 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265484259 464577176 /nfs/dbraw/zinc/57/71/76/464577176.db2.gz LQMCZHWOXAYUJL-UHFFFAOYSA-N 2 2 338.411 2.275 10 0 EEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000273200260 464708365 /nfs/dbraw/zinc/70/83/65/464708365.db2.gz JQYSGIURMCDDAQ-MRXNPFEDSA-N 2 2 330.476 2.019 10 0 EEAELP COCc1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282173421 464723026 /nfs/dbraw/zinc/72/30/26/464723026.db2.gz VFDZJRTVDSFLJE-CYBMUJFWSA-N 2 2 331.420 2.128 10 0 EEAELP COCc1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282173421 464723032 /nfs/dbraw/zinc/72/30/32/464723032.db2.gz VFDZJRTVDSFLJE-CYBMUJFWSA-N 2 2 331.420 2.128 10 0 EEAELP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661170 464782595 /nfs/dbraw/zinc/78/25/95/464782595.db2.gz WSALCFRHJHGTPG-JZXOWHBKSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248661170 464782600 /nfs/dbraw/zinc/78/26/00/464782600.db2.gz WSALCFRHJHGTPG-JZXOWHBKSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248661170 464782603 /nfs/dbraw/zinc/78/26/03/464782603.db2.gz WSALCFRHJHGTPG-JZXOWHBKSA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248661170 464782607 /nfs/dbraw/zinc/78/26/07/464782607.db2.gz WSALCFRHJHGTPG-JZXOWHBKSA-N 2 2 332.492 2.139 10 0 EEAELP c1cc(-c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)o2)n[nH]1 ZINC000282754133 464933057 /nfs/dbraw/zinc/93/30/57/464933057.db2.gz OHLSOPVDTBCZRY-HNNXBMFYSA-N 2 2 330.432 2.214 10 0 EEAELP c1cc(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCOCC4)C3)o2)n[nH]1 ZINC000282754133 464933063 /nfs/dbraw/zinc/93/30/63/464933063.db2.gz OHLSOPVDTBCZRY-HNNXBMFYSA-N 2 2 330.432 2.214 10 0 EEAELP CC(C)c1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)on1 ZINC000329606750 465386409 /nfs/dbraw/zinc/38/64/09/465386409.db2.gz MQLITSOESZJPDU-UHFFFAOYSA-N 2 2 348.491 2.478 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(COC)s2)C1 ZINC000342920323 465389108 /nfs/dbraw/zinc/38/91/08/465389108.db2.gz SUSMBHQLMCAFRQ-AWEZNQCLSA-N 2 2 327.494 2.222 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(COC)s2)C1 ZINC000342920323 465389110 /nfs/dbraw/zinc/38/91/10/465389110.db2.gz SUSMBHQLMCAFRQ-AWEZNQCLSA-N 2 2 327.494 2.222 10 0 EEAELP C[C@H]([NH2+][C@@H](C)c1cnn(C)c1)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348326470 465551290 /nfs/dbraw/zinc/55/12/90/465551290.db2.gz YQRWTQNTVWWKNW-STQMWFEESA-N 2 2 338.415 2.488 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000361014566 465703594 /nfs/dbraw/zinc/70/35/94/465703594.db2.gz UWEGPDHLOBFUIV-PXNSSMCTSA-N 2 2 347.503 2.285 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000361014566 465703606 /nfs/dbraw/zinc/70/36/06/465703606.db2.gz UWEGPDHLOBFUIV-PXNSSMCTSA-N 2 2 347.503 2.285 10 0 EEAELP C[C@@H]1C[C@H]1c1ccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)o1 ZINC000361043103 465725713 /nfs/dbraw/zinc/72/57/13/465725713.db2.gz NPKLKRGFWMSBJQ-FVQBIDKESA-N 2 2 342.443 2.417 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000362573466 465841317 /nfs/dbraw/zinc/84/13/17/465841317.db2.gz SSJXVDSLFVPEBK-ZIAGYGMSSA-N 2 2 346.500 2.500 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2occ3c2CCC3)([NH+]2CCCCC2)CC1 ZINC000353493526 465928490 /nfs/dbraw/zinc/92/84/90/465928490.db2.gz UDKDUECLHBGOLO-UHFFFAOYSA-N 2 2 345.487 2.448 10 0 EEAELP c1cn(-c2csc(C[N@H+]3CCC[C@H]3CN3CCOCC3)c2)c[nH+]1 ZINC000346160481 465948477 /nfs/dbraw/zinc/94/84/77/465948477.db2.gz WTPOWQNTDBAGRH-HNNXBMFYSA-N 2 2 332.473 2.230 10 0 EEAELP c1cn(-c2csc(C[N@@H+]3CCC[C@H]3CN3CCOCC3)c2)c[nH+]1 ZINC000346160481 465948481 /nfs/dbraw/zinc/94/84/81/465948481.db2.gz WTPOWQNTDBAGRH-HNNXBMFYSA-N 2 2 332.473 2.230 10 0 EEAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1([NH+](C)C)CCC1 ZINC000340503869 466136780 /nfs/dbraw/zinc/13/67/80/466136780.db2.gz OLLVRCSNYZUFAX-GFCCVEGCSA-N 2 2 342.281 2.073 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2)cn1 ZINC000367121164 466143894 /nfs/dbraw/zinc/14/38/94/466143894.db2.gz MDLUTZGSLIMNCL-UHFFFAOYSA-N 2 2 335.411 2.259 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000361825893 466325014 /nfs/dbraw/zinc/32/50/14/466325014.db2.gz PGQRPRXXFTXYMF-OAHLLOKOSA-N 2 2 333.457 2.047 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000361825893 466325016 /nfs/dbraw/zinc/32/50/16/466325016.db2.gz PGQRPRXXFTXYMF-OAHLLOKOSA-N 2 2 333.457 2.047 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000361986428 466461823 /nfs/dbraw/zinc/46/18/23/466461823.db2.gz OJCBYNKRAJPQHV-DOTOQJQBSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000361986428 466461825 /nfs/dbraw/zinc/46/18/25/466461825.db2.gz OJCBYNKRAJPQHV-DOTOQJQBSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000340995944 466499445 /nfs/dbraw/zinc/49/94/45/466499445.db2.gz YLPHOBMYTNRJJA-YJBOKZPZSA-N 2 2 341.459 2.213 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000340995944 466499453 /nfs/dbraw/zinc/49/94/53/466499453.db2.gz YLPHOBMYTNRJJA-YJBOKZPZSA-N 2 2 341.459 2.213 10 0 EEAELP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[C@H](C)O1 ZINC000341135490 466610323 /nfs/dbraw/zinc/61/03/23/466610323.db2.gz QSBDWQBUPZFPFB-KBPBESRZSA-N 2 2 349.500 2.189 10 0 EEAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422842464 466685022 /nfs/dbraw/zinc/68/50/22/466685022.db2.gz YGGQJDMZJJEIJZ-LZQZEXGQSA-N 3 2 349.544 2.317 10 0 EEAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422842464 466685026 /nfs/dbraw/zinc/68/50/26/466685026.db2.gz YGGQJDMZJJEIJZ-LZQZEXGQSA-N 3 2 349.544 2.317 10 0 EEAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)c1 ZINC000422842464 466685027 /nfs/dbraw/zinc/68/50/27/466685027.db2.gz YGGQJDMZJJEIJZ-LZQZEXGQSA-N 2 2 349.544 2.317 10 0 EEAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)c1 ZINC000422842464 466685031 /nfs/dbraw/zinc/68/50/31/466685031.db2.gz YGGQJDMZJJEIJZ-LZQZEXGQSA-N 2 2 349.544 2.317 10 0 EEAELP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1S(C)(=O)=O ZINC000423239260 466702663 /nfs/dbraw/zinc/70/26/63/466702663.db2.gz JQWNSFWHUPUTKO-CJNGLKHVSA-N 2 2 348.468 2.449 10 0 EEAELP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000375366749 466837765 /nfs/dbraw/zinc/83/77/65/466837765.db2.gz CZHGKMPOQMBUSJ-MAUKXSAKSA-N 2 2 336.524 2.375 10 0 EEAELP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000375366749 466837771 /nfs/dbraw/zinc/83/77/71/466837771.db2.gz CZHGKMPOQMBUSJ-MAUKXSAKSA-N 2 2 336.524 2.375 10 0 EEAELP Cc1cc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)no1 ZINC000377817058 467144992 /nfs/dbraw/zinc/14/49/92/467144992.db2.gz OXKDBZMHIBEIHQ-OAHLLOKOSA-N 2 2 346.479 2.018 10 0 EEAELP Cc1cc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)no1 ZINC000377817058 467144996 /nfs/dbraw/zinc/14/49/96/467144996.db2.gz OXKDBZMHIBEIHQ-OAHLLOKOSA-N 2 2 346.479 2.018 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453104230 467460641 /nfs/dbraw/zinc/46/06/41/467460641.db2.gz FFCLGKUYRRWNPT-SJKOYZFVSA-N 2 2 328.395 2.464 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453104230 467460646 /nfs/dbraw/zinc/46/06/46/467460646.db2.gz FFCLGKUYRRWNPT-SJKOYZFVSA-N 2 2 328.395 2.464 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453104230 467460650 /nfs/dbraw/zinc/46/06/50/467460650.db2.gz FFCLGKUYRRWNPT-SJKOYZFVSA-N 2 2 328.395 2.464 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277678 467476088 /nfs/dbraw/zinc/47/60/88/467476088.db2.gz YGPQXQIMWPUONW-MJGOQNOKSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc(OCC[NH+](C)C)cc1 ZINC000453277678 467476093 /nfs/dbraw/zinc/47/60/93/467476093.db2.gz YGPQXQIMWPUONW-MJGOQNOKSA-N 3 2 349.519 2.124 10 0 EEAELP Cc1[nH+]ccn1CC(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000457582480 467656698 /nfs/dbraw/zinc/65/66/98/467656698.db2.gz DKIQKPNXFXWOJA-GJZGRUSLSA-N 2 2 342.443 2.439 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@]2(C)CCCCO2)([NH+]2CCCCC2)CC1 ZINC000457621618 467664851 /nfs/dbraw/zinc/66/48/51/467664851.db2.gz QJRYMXZABHAOPQ-SFHVURJKSA-N 2 2 337.508 2.012 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)s1 ZINC000455433517 467680988 /nfs/dbraw/zinc/68/09/88/467680988.db2.gz OTDDGPIOMDQBNJ-AWEZNQCLSA-N 2 2 338.521 2.088 10 0 EEAELP O[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC1(O)CCC1 ZINC000528492367 467686662 /nfs/dbraw/zinc/68/66/62/467686662.db2.gz KZIXNPUGZZSOMR-WBVHZDCISA-N 2 2 333.476 2.065 10 0 EEAELP O[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CC1(O)CCC1 ZINC000528492367 467686664 /nfs/dbraw/zinc/68/66/64/467686664.db2.gz KZIXNPUGZZSOMR-WBVHZDCISA-N 2 2 333.476 2.065 10 0 EEAELP OC[C@H]1CCC2(CCOCC2)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000528644261 467720181 /nfs/dbraw/zinc/72/01/81/467720181.db2.gz JAURTHWGVXZKKH-QGZVFWFLSA-N 2 2 342.443 2.021 10 0 EEAELP OC[C@H]1CCC2(CCOCC2)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000528644261 467720184 /nfs/dbraw/zinc/72/01/84/467720184.db2.gz JAURTHWGVXZKKH-QGZVFWFLSA-N 2 2 342.443 2.021 10 0 EEAELP Cc1nc(N2CC[NH+](C[C@H](O)[C@@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000450749491 467901648 /nfs/dbraw/zinc/90/16/48/467901648.db2.gz ZIOFSOKVLFZDDE-YJBOKZPZSA-N 2 2 326.444 2.072 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC(C)(F)F ZINC000458906514 467919736 /nfs/dbraw/zinc/91/97/36/467919736.db2.gz XWLLGTLWWZURJP-UHFFFAOYSA-N 2 2 334.455 2.089 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCCC(C)(F)F ZINC000458906514 467919737 /nfs/dbraw/zinc/91/97/37/467919737.db2.gz XWLLGTLWWZURJP-UHFFFAOYSA-N 2 2 334.455 2.089 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055220 468081727 /nfs/dbraw/zinc/08/17/27/468081727.db2.gz ZRWVZBQURIOSDU-CRAIPNDOSA-N 2 2 333.476 2.150 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055220 468081729 /nfs/dbraw/zinc/08/17/29/468081729.db2.gz ZRWVZBQURIOSDU-CRAIPNDOSA-N 2 2 333.476 2.150 10 0 EEAELP c1nnn(Cc2ccccc2)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000490592582 468223509 /nfs/dbraw/zinc/22/35/09/468223509.db2.gz KKRILDXPZJAVOR-UHFFFAOYSA-N 2 2 325.460 2.290 10 0 EEAELP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](c4[nH+]ccn4C)C3)no2)cc1 ZINC000534581359 468265826 /nfs/dbraw/zinc/26/58/26/468265826.db2.gz HQUYNOBWMHKVEO-CQSZACIVSA-N 2 2 339.399 2.468 10 0 EEAELP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](c4[nH+]ccn4C)C3)no2)cc1 ZINC000534581359 468265832 /nfs/dbraw/zinc/26/58/32/468265832.db2.gz HQUYNOBWMHKVEO-CQSZACIVSA-N 2 2 339.399 2.468 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000594310334 468548993 /nfs/dbraw/zinc/54/89/93/468548993.db2.gz BKYWFXZZOIMIRF-BBWFWOEESA-N 2 2 333.480 2.493 10 0 EEAELP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC1([NH3+])CCOCC1)CCC2 ZINC000600708938 468627681 /nfs/dbraw/zinc/62/76/81/468627681.db2.gz MAFWYGPKPBIGAV-CYBMUJFWSA-N 2 2 336.432 2.240 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000571592606 468808940 /nfs/dbraw/zinc/80/89/40/468808940.db2.gz UAUZXCFEMCPYRT-LLVKDONJSA-N 2 2 346.341 2.220 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COCc1ccc(Cl)cc1 ZINC000584346749 468850272 /nfs/dbraw/zinc/85/02/72/468850272.db2.gz ABGQRHVWTINWKO-HUUCEWRRSA-N 2 2 335.835 2.088 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)COCc1ccc(Cl)cc1 ZINC000584346749 468850278 /nfs/dbraw/zinc/85/02/78/468850278.db2.gz ABGQRHVWTINWKO-HUUCEWRRSA-N 2 2 335.835 2.088 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N(C)CCC[NH3+])c(C)c1 ZINC000561191043 468873350 /nfs/dbraw/zinc/87/33/50/468873350.db2.gz SAVKVFIZUZXMLH-KRWDZBQOSA-N 2 2 329.448 2.231 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000584719273 468921260 /nfs/dbraw/zinc/92/12/60/468921260.db2.gz NAOQDSVOYLJXTM-PBHICJAKSA-N 2 2 341.377 2.107 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000584719273 468921265 /nfs/dbraw/zinc/92/12/65/468921265.db2.gz NAOQDSVOYLJXTM-PBHICJAKSA-N 2 2 341.377 2.107 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(F)ccc(F)c1Cl ZINC000622144030 469380777 /nfs/dbraw/zinc/38/07/77/469380777.db2.gz QXHLUXIOOQCMNV-UHFFFAOYSA-N 2 2 333.810 2.232 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(F)ccc(F)c1Cl ZINC000622144030 469380782 /nfs/dbraw/zinc/38/07/82/469380782.db2.gz QXHLUXIOOQCMNV-UHFFFAOYSA-N 2 2 333.810 2.232 10 0 EEAELP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000618665573 469418962 /nfs/dbraw/zinc/41/89/62/469418962.db2.gz KUMCZEVASVYWTO-OAHLLOKOSA-N 2 2 339.443 2.404 10 0 EEAELP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000618665573 469418965 /nfs/dbraw/zinc/41/89/65/469418965.db2.gz KUMCZEVASVYWTO-OAHLLOKOSA-N 2 2 339.443 2.404 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000629603327 469590789 /nfs/dbraw/zinc/59/07/89/469590789.db2.gz MMOUGNZTOLRYDJ-MOPGFXCFSA-N 2 2 348.487 2.179 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000629603327 469590791 /nfs/dbraw/zinc/59/07/91/469590791.db2.gz MMOUGNZTOLRYDJ-MOPGFXCFSA-N 2 2 348.487 2.179 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NCc3[nH+]ccn3C)CC2)s1 ZINC000606510462 469613938 /nfs/dbraw/zinc/61/39/38/469613938.db2.gz XOMYIZDTHRUCHE-UHFFFAOYSA-N 2 2 347.488 2.071 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000619771120 469679148 /nfs/dbraw/zinc/67/91/48/469679148.db2.gz PODVUHMTWYIZDV-HNNXBMFYSA-N 2 2 328.416 2.032 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000619771120 469679149 /nfs/dbraw/zinc/67/91/49/469679149.db2.gz PODVUHMTWYIZDV-HNNXBMFYSA-N 2 2 328.416 2.032 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[NH2+]1 ZINC000626931554 469758918 /nfs/dbraw/zinc/75/89/18/469758918.db2.gz IXUCSWJBSRBDOX-NVXWUHKLSA-N 2 2 345.491 2.402 10 0 EEAELP Cc1ccccc1C1(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617765051 469795851 /nfs/dbraw/zinc/79/58/51/469795851.db2.gz RMCALJZZTVLCRF-UHFFFAOYSA-N 2 2 331.504 2.416 10 0 EEAELP Cc1ccccc1C1(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617765051 469795854 /nfs/dbraw/zinc/79/58/54/469795854.db2.gz RMCALJZZTVLCRF-UHFFFAOYSA-N 2 2 331.504 2.416 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000617766877 469797301 /nfs/dbraw/zinc/79/73/01/469797301.db2.gz XMIDPCHBIUHIJG-TZIWHRDSSA-N 2 2 343.515 2.280 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000617766877 469797308 /nfs/dbraw/zinc/79/73/08/469797308.db2.gz XMIDPCHBIUHIJG-TZIWHRDSSA-N 2 2 343.515 2.280 10 0 EEAELP CC[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000631160001 470083220 /nfs/dbraw/zinc/08/32/20/470083220.db2.gz FRVOHMRWOIDCAN-MOPGFXCFSA-N 2 2 348.487 2.445 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000625257196 470106326 /nfs/dbraw/zinc/10/63/26/470106326.db2.gz XUKZLXCTAYMSHF-KBPBESRZSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000625257196 470106327 /nfs/dbraw/zinc/10/63/27/470106327.db2.gz XUKZLXCTAYMSHF-KBPBESRZSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000625257196 470106328 /nfs/dbraw/zinc/10/63/28/470106328.db2.gz XUKZLXCTAYMSHF-KBPBESRZSA-N 2 2 337.430 2.449 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000625257196 470106329 /nfs/dbraw/zinc/10/63/29/470106329.db2.gz XUKZLXCTAYMSHF-KBPBESRZSA-N 2 2 337.430 2.449 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621782089 470106534 /nfs/dbraw/zinc/10/65/34/470106534.db2.gz MGQBSNAEQQZVKU-FNHZYXHNSA-N 2 2 331.435 2.443 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621782089 470106537 /nfs/dbraw/zinc/10/65/37/470106537.db2.gz MGQBSNAEQQZVKU-FNHZYXHNSA-N 2 2 331.435 2.443 10 0 EEAELP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000625332207 470121085 /nfs/dbraw/zinc/12/10/85/470121085.db2.gz VJZZTOKNIYOSHT-QAPCUYQASA-N 2 2 326.444 2.485 10 0 EEAELP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000625332207 470121089 /nfs/dbraw/zinc/12/10/89/470121089.db2.gz VJZZTOKNIYOSHT-QAPCUYQASA-N 2 2 326.444 2.485 10 0 EEAELP COc1cncc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000625332209 470121339 /nfs/dbraw/zinc/12/13/39/470121339.db2.gz VJZZTOKNIYOSHT-YJBOKZPZSA-N 2 2 326.444 2.485 10 0 EEAELP COc1cncc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000625332209 470121340 /nfs/dbraw/zinc/12/13/40/470121340.db2.gz VJZZTOKNIYOSHT-YJBOKZPZSA-N 2 2 326.444 2.485 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccncc1Br)CCO2 ZINC000625509377 470158413 /nfs/dbraw/zinc/15/84/13/470158413.db2.gz PSTPVPXDBJXSOI-UHFFFAOYSA-N 2 2 340.265 2.141 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccncc1Br)CCO2 ZINC000625509377 470158417 /nfs/dbraw/zinc/15/84/17/470158417.db2.gz PSTPVPXDBJXSOI-UHFFFAOYSA-N 2 2 340.265 2.141 10 0 EEAELP CC[N@@H+]1C[C@H](C)N(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000632216669 470208279 /nfs/dbraw/zinc/20/82/79/470208279.db2.gz KYPWWXPNBVXHQL-HOTGVXAUSA-N 2 2 326.444 2.356 10 0 EEAELP CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C ZINC000632216669 470208280 /nfs/dbraw/zinc/20/82/80/470208280.db2.gz KYPWWXPNBVXHQL-HOTGVXAUSA-N 2 2 326.444 2.356 10 0 EEAELP CCC1([NH+](C)C)CCN(C(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000632846706 470277837 /nfs/dbraw/zinc/27/78/37/470277837.db2.gz HVQVATRTCWCRBU-UHFFFAOYSA-N 2 2 343.475 2.393 10 0 EEAELP C[C@H](CC1CCC1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000632978894 470305976 /nfs/dbraw/zinc/30/59/76/470305976.db2.gz JSPCKRMJECXRJS-OAHLLOKOSA-N 2 2 336.524 2.423 10 0 EEAELP c1cc(NCCC[C@@H]2CCO2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000638881722 470315546 /nfs/dbraw/zinc/31/55/46/470315546.db2.gz MUHXGCTWAYARQD-MRXNPFEDSA-N 2 2 344.459 2.419 10 0 EEAELP OC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C(F)(F)F ZINC000639384606 470490080 /nfs/dbraw/zinc/49/00/80/470490080.db2.gz OLFYYTGKCQDIFF-DZGCQCFKSA-N 2 2 325.334 2.475 10 0 EEAELP OC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C(F)(F)F ZINC000639384606 470490085 /nfs/dbraw/zinc/49/00/85/470490085.db2.gz OLFYYTGKCQDIFF-DZGCQCFKSA-N 2 2 325.334 2.475 10 0 EEAELP Cn1cc(C2=CCC[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000639794744 470671610 /nfs/dbraw/zinc/67/16/10/470671610.db2.gz SNDBHWHIIKQRDS-FQEVSTJZSA-N 2 2 340.471 2.002 10 0 EEAELP Cn1cc(C2=CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000639794744 470671615 /nfs/dbraw/zinc/67/16/15/470671615.db2.gz SNDBHWHIIKQRDS-FQEVSTJZSA-N 2 2 340.471 2.002 10 0 EEAELP Cn1cc(C2=CCC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC000639794744 470671619 /nfs/dbraw/zinc/67/16/19/470671619.db2.gz SNDBHWHIIKQRDS-FQEVSTJZSA-N 2 2 340.471 2.002 10 0 EEAELP Cn1cc(C2=CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000639794744 470671624 /nfs/dbraw/zinc/67/16/24/470671624.db2.gz SNDBHWHIIKQRDS-FQEVSTJZSA-N 2 2 340.471 2.002 10 0 EEAELP COc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899771 471011638 /nfs/dbraw/zinc/01/16/38/471011638.db2.gz WFPLAPGCIIIBJM-HRCADAONSA-N 2 2 331.460 2.486 10 0 EEAELP COc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899771 471011640 /nfs/dbraw/zinc/01/16/40/471011640.db2.gz WFPLAPGCIIIBJM-HRCADAONSA-N 2 2 331.460 2.486 10 0 EEAELP c1cnn(C2CC([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)C2)c1 ZINC000638386644 471071677 /nfs/dbraw/zinc/07/16/77/471071677.db2.gz PNRFYQBXSNVESO-UHFFFAOYSA-N 2 2 326.444 2.209 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000651239606 471100205 /nfs/dbraw/zinc/10/02/05/471100205.db2.gz VBKJGPQERNDCEX-QGZVFWFLSA-N 2 2 330.476 2.239 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657345876 471107120 /nfs/dbraw/zinc/10/71/20/471107120.db2.gz SROGUJVIYPJAKS-HKUYNNGSSA-N 2 2 334.460 2.055 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657345876 471107123 /nfs/dbraw/zinc/10/71/23/471107123.db2.gz SROGUJVIYPJAKS-HKUYNNGSSA-N 2 2 334.460 2.055 10 0 EEAELP Fc1cncc(Br)c1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000657440491 471137021 /nfs/dbraw/zinc/13/70/21/471137021.db2.gz SZDZHGVCVVTFGZ-SECBINFHSA-N 2 2 325.185 2.284 10 0 EEAELP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3n[nH]c4ccccc43)cc2)C1 ZINC000657595590 471179237 /nfs/dbraw/zinc/17/92/37/471179237.db2.gz RFVNUSSQCRXDQR-QGZVFWFLSA-N 2 2 336.439 2.419 10 0 EEAELP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3n[nH]c4ccccc43)cc2)C1 ZINC000657595590 471179241 /nfs/dbraw/zinc/17/92/41/471179241.db2.gz RFVNUSSQCRXDQR-QGZVFWFLSA-N 2 2 336.439 2.419 10 0 EEAELP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nn1C ZINC000657595298 471180371 /nfs/dbraw/zinc/18/03/71/471180371.db2.gz GOQKIQDRNUFEDX-MRXNPFEDSA-N 2 2 348.878 2.238 10 0 EEAELP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)nn1C ZINC000657595298 471180376 /nfs/dbraw/zinc/18/03/76/471180376.db2.gz GOQKIQDRNUFEDX-MRXNPFEDSA-N 2 2 348.878 2.238 10 0 EEAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C(F)F ZINC000657832110 471239037 /nfs/dbraw/zinc/23/90/37/471239037.db2.gz HLCNKXZQKOFZGJ-AWEZNQCLSA-N 2 2 341.450 2.258 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663390565 471353636 /nfs/dbraw/zinc/35/36/36/471353636.db2.gz OLLWQLRDUJHFIY-OAHLLOKOSA-N 2 2 333.480 2.114 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000663390565 471353640 /nfs/dbraw/zinc/35/36/40/471353640.db2.gz OLLWQLRDUJHFIY-OAHLLOKOSA-N 2 2 333.480 2.114 10 0 EEAELP CC[C@@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[C@H]1[NH3+] ZINC000669024542 471353989 /nfs/dbraw/zinc/35/39/89/471353989.db2.gz UFBYLATYSPYMHH-BXUZGUMPSA-N 2 2 335.839 2.257 10 0 EEAELP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655757374 471471795 /nfs/dbraw/zinc/47/17/95/471471795.db2.gz GDICJPZMPZOWBM-FQEVSTJZSA-N 2 2 340.471 2.076 10 0 EEAELP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000655757374 471471800 /nfs/dbraw/zinc/47/18/00/471471800.db2.gz GDICJPZMPZOWBM-FQEVSTJZSA-N 2 2 340.471 2.076 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000666662705 471486086 /nfs/dbraw/zinc/48/60/86/471486086.db2.gz FOLIEXWKRGAIJG-HNNXBMFYSA-N 2 2 331.464 2.124 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000666662705 471486090 /nfs/dbraw/zinc/48/60/90/471486090.db2.gz FOLIEXWKRGAIJG-HNNXBMFYSA-N 2 2 331.464 2.124 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000666775199 471532897 /nfs/dbraw/zinc/53/28/97/471532897.db2.gz IZVHIRNKZZBHHY-LBPRGKRZSA-N 2 2 340.434 2.146 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000666775199 471532898 /nfs/dbraw/zinc/53/28/98/471532898.db2.gz IZVHIRNKZZBHHY-LBPRGKRZSA-N 2 2 340.434 2.146 10 0 EEAELP CCN(C(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1CC[N@H+](CC)C1 ZINC000663850391 471547726 /nfs/dbraw/zinc/54/77/26/471547726.db2.gz CZPAFBYROLASCL-SFHVURJKSA-N 2 2 330.476 2.128 10 0 EEAELP CCN(C(=O)NCC[NH+]1Cc2ccccc2C1)[C@H]1CC[N@@H+](CC)C1 ZINC000663850391 471547728 /nfs/dbraw/zinc/54/77/28/471547728.db2.gz CZPAFBYROLASCL-SFHVURJKSA-N 2 2 330.476 2.128 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(F)c(Cl)c1 ZINC000663918986 471576811 /nfs/dbraw/zinc/57/68/11/471576811.db2.gz ZCKJJCFFESEMEL-UHFFFAOYSA-N 2 2 344.862 2.162 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(F)c(Cl)c1 ZINC000663918986 471576817 /nfs/dbraw/zinc/57/68/17/471576817.db2.gz ZCKJJCFFESEMEL-UHFFFAOYSA-N 2 2 344.862 2.162 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670078715 471672229 /nfs/dbraw/zinc/67/22/29/471672229.db2.gz ROVBIMKCNHNETQ-HOTGVXAUSA-N 2 2 347.507 2.449 10 0 EEAELP FC1(F)C[C@@H]1OCCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000656473995 471727024 /nfs/dbraw/zinc/72/70/24/471727024.db2.gz VTRFYOSTMLTSGO-LBPRGKRZSA-N 2 2 332.314 2.047 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@](O)(C4CC4)C3)c2cc1C ZINC000661631615 471835612 /nfs/dbraw/zinc/83/56/12/471835612.db2.gz GZTSPNUVMYLVMI-FXAWDEMLSA-N 2 2 343.471 2.251 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@](O)(C4CC4)C3)c2cc1C ZINC000661631615 471835617 /nfs/dbraw/zinc/83/56/17/471835617.db2.gz GZTSPNUVMYLVMI-FXAWDEMLSA-N 2 2 343.471 2.251 10 0 EEAELP C[C@]12COC[C@H]1C[N@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000661705870 471858206 /nfs/dbraw/zinc/85/82/06/471858206.db2.gz XRVXBKPOJDYINH-AABGKKOBSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@H]1C[N@@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000661705870 471858211 /nfs/dbraw/zinc/85/82/11/471858211.db2.gz XRVXBKPOJDYINH-AABGKKOBSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@H]1C[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000661705870 471858216 /nfs/dbraw/zinc/85/82/16/471858216.db2.gz XRVXBKPOJDYINH-AABGKKOBSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@H]1C[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000661705870 471858220 /nfs/dbraw/zinc/85/82/20/471858220.db2.gz XRVXBKPOJDYINH-AABGKKOBSA-N 2 2 330.472 2.246 10 0 EEAELP [NH3+][C@H]1C[C@@H](N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c2ccccc21 ZINC000665274850 471987051 /nfs/dbraw/zinc/98/70/51/471987051.db2.gz ZPIFOEZNJGBSPR-WJFTUGDTSA-N 2 2 327.472 2.364 10 0 EEAELP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c2ccccc21 ZINC000665274850 471987054 /nfs/dbraw/zinc/98/70/54/471987054.db2.gz ZPIFOEZNJGBSPR-WJFTUGDTSA-N 2 2 327.472 2.364 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000668109488 472012461 /nfs/dbraw/zinc/01/24/61/472012461.db2.gz DZEMXMQDPDAWEX-MRXNPFEDSA-N 2 2 332.492 2.232 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000668109488 472012465 /nfs/dbraw/zinc/01/24/65/472012465.db2.gz DZEMXMQDPDAWEX-MRXNPFEDSA-N 2 2 332.492 2.232 10 0 EEAELP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000665368296 472022512 /nfs/dbraw/zinc/02/25/12/472022512.db2.gz WXPSERKJFBTDGE-AQNXPRMDSA-N 2 2 341.499 2.417 10 0 EEAELP CN(C(=O)[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000665368296 472022514 /nfs/dbraw/zinc/02/25/14/472022514.db2.gz WXPSERKJFBTDGE-AQNXPRMDSA-N 2 2 341.499 2.417 10 0 EEAELP COc1c(Cl)cccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665843095 472211600 /nfs/dbraw/zinc/21/16/00/472211600.db2.gz DDYUTXVPZKQLJS-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP COc1c(Cl)cccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665843095 472211604 /nfs/dbraw/zinc/21/16/04/472211604.db2.gz DDYUTXVPZKQLJS-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662799239 472257052 /nfs/dbraw/zinc/25/70/52/472257052.db2.gz VMONDSGIUDQKCQ-MMYVAXCBSA-N 2 2 341.377 2.093 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662799239 472257059 /nfs/dbraw/zinc/25/70/59/472257059.db2.gz VMONDSGIUDQKCQ-MMYVAXCBSA-N 2 2 341.377 2.093 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)[NH+](C)C)cc1 ZINC000651195015 485534263 /nfs/dbraw/zinc/53/42/63/485534263.db2.gz XYPGYAQCWDZOQG-GOSISDBHSA-N 2 2 340.471 2.489 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000673810207 485540792 /nfs/dbraw/zinc/54/07/92/485540792.db2.gz MAIYJQBQMIQOLR-UHFFFAOYSA-N 2 2 349.398 2.016 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042431 485572976 /nfs/dbraw/zinc/57/29/76/485572976.db2.gz BNGOKTZMYITGOK-HOJAQTOUSA-N 2 2 331.504 2.086 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000679042431 485572982 /nfs/dbraw/zinc/57/29/82/485572982.db2.gz BNGOKTZMYITGOK-HOJAQTOUSA-N 2 2 331.504 2.086 10 0 EEAELP C[N@@H+]1CC[C@H](Nc2nc(N3CCOCC3)cc[nH+]2)[C@H]1c1ccccc1 ZINC000683752883 485629235 /nfs/dbraw/zinc/62/92/35/485629235.db2.gz DQJHILPOOVEETH-FUHWJXTLSA-N 2 2 339.443 2.171 10 0 EEAELP C[N@H+]1CC[C@H](Nc2nc(N3CCOCC3)cc[nH+]2)[C@H]1c1ccccc1 ZINC000683752883 485629244 /nfs/dbraw/zinc/62/92/44/485629244.db2.gz DQJHILPOOVEETH-FUHWJXTLSA-N 2 2 339.443 2.171 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000680389211 485959328 /nfs/dbraw/zinc/95/93/28/485959328.db2.gz RJRYJXSVIQTSNH-FHWLQOOXSA-N 2 2 334.504 2.208 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000680389211 485959333 /nfs/dbraw/zinc/95/93/33/485959333.db2.gz RJRYJXSVIQTSNH-FHWLQOOXSA-N 2 2 334.504 2.208 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000680389211 485959336 /nfs/dbraw/zinc/95/93/36/485959336.db2.gz RJRYJXSVIQTSNH-FHWLQOOXSA-N 2 2 334.504 2.208 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000680389211 485959343 /nfs/dbraw/zinc/95/93/43/485959343.db2.gz RJRYJXSVIQTSNH-FHWLQOOXSA-N 2 2 334.504 2.208 10 0 EEAELP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000685458551 486125968 /nfs/dbraw/zinc/12/59/68/486125968.db2.gz CLJBOQPZOBLNKD-UHFFFAOYSA-N 3 2 329.488 2.441 10 0 EEAELP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000685458551 486125975 /nfs/dbraw/zinc/12/59/75/486125975.db2.gz CLJBOQPZOBLNKD-UHFFFAOYSA-N 3 2 329.488 2.441 10 0 EEAELP Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681695684 486307750 /nfs/dbraw/zinc/30/77/50/486307750.db2.gz JVFZLEGDNFOZPL-SJORKVTESA-N 2 2 334.485 2.172 10 0 EEAELP Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681695684 486307754 /nfs/dbraw/zinc/30/77/54/486307754.db2.gz JVFZLEGDNFOZPL-SJORKVTESA-N 2 2 334.485 2.172 10 0 EEAELP CC1(C)NC(=O)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000494921106 534966504 /nfs/dbraw/zinc/96/65/04/534966504.db2.gz HXXXGAWAYZBVSH-KRWDZBQOSA-N 2 2 333.451 2.437 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCN2CCCCC2=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000422864533 536929557 /nfs/dbraw/zinc/92/95/57/536929557.db2.gz VDQNJIFHJAPMHF-ICSRJNTNSA-N 2 2 345.487 2.481 10 0 EEAELP Cn1nccc1[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796721 576300534 /nfs/dbraw/zinc/30/05/34/576300534.db2.gz MBYXHABYBZOBOH-MOPGFXCFSA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000726796721 576300537 /nfs/dbraw/zinc/30/05/37/576300537.db2.gz MBYXHABYBZOBOH-MOPGFXCFSA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000726796721 576300538 /nfs/dbraw/zinc/30/05/38/576300538.db2.gz MBYXHABYBZOBOH-MOPGFXCFSA-N 2 2 342.487 2.092 10 0 EEAELP Cn1nccc1[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000726796721 576300540 /nfs/dbraw/zinc/30/05/40/576300540.db2.gz MBYXHABYBZOBOH-MOPGFXCFSA-N 2 2 342.487 2.092 10 0 EEAELP C[C@@H](CNC(=O)NCc1[nH+]ccn1CC(F)(F)F)[NH+]1CCCCC1 ZINC000727941303 576463792 /nfs/dbraw/zinc/46/37/92/576463792.db2.gz YDHGFQUWBMEWLI-LBPRGKRZSA-N 2 2 347.385 2.119 10 0 EEAELP C[C@H](C[C@H]1CCOC1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000777023983 577471181 /nfs/dbraw/zinc/47/11/81/577471181.db2.gz LIYHFHFVDJNKRL-MISYRCLQSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H](C[C@H]1CCOC1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000777023983 577471182 /nfs/dbraw/zinc/47/11/82/577471182.db2.gz LIYHFHFVDJNKRL-MISYRCLQSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnnc1 ZINC000924928990 681650028 /nfs/dbraw/zinc/65/00/28/681650028.db2.gz UGQKTCJKBRUGCV-QFBILLFUSA-N 2 2 325.460 2.116 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000927766116 682037879 /nfs/dbraw/zinc/03/78/79/682037879.db2.gz KJKOPUPITULRCB-OAHLLOKOSA-N 2 2 336.505 2.228 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000927766116 682037888 /nfs/dbraw/zinc/03/78/88/682037888.db2.gz KJKOPUPITULRCB-OAHLLOKOSA-N 2 2 336.505 2.228 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000895459969 684607987 /nfs/dbraw/zinc/60/79/87/684607987.db2.gz CUQARRXJHCTXSP-DYVFJYSZSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000895459969 684607988 /nfs/dbraw/zinc/60/79/88/684607988.db2.gz CUQARRXJHCTXSP-DYVFJYSZSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000895459969 684607990 /nfs/dbraw/zinc/60/79/90/684607990.db2.gz CUQARRXJHCTXSP-DYVFJYSZSA-N 2 2 327.428 2.481 10 0 EEAELP COC(=O)c1[nH]c2ccccc2c1C[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000895459969 684607992 /nfs/dbraw/zinc/60/79/92/684607992.db2.gz CUQARRXJHCTXSP-DYVFJYSZSA-N 2 2 327.428 2.481 10 0 EEAELP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000898901616 693514919 /nfs/dbraw/zinc/51/49/19/693514919.db2.gz LMOWLIFFHIZKLG-QGZVFWFLSA-N 2 2 326.444 2.399 10 0 EEAELP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)n1cc[nH+]c1 ZINC000898901616 693514923 /nfs/dbraw/zinc/51/49/23/693514923.db2.gz LMOWLIFFHIZKLG-QGZVFWFLSA-N 2 2 326.444 2.399 10 0 EEAELP Cc1cc(NCCNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)nc(C(C)C)[nH+]1 ZINC000899135621 693628935 /nfs/dbraw/zinc/62/89/35/693628935.db2.gz INMJYAIVWJNYSE-AWEZNQCLSA-N 2 2 333.480 2.309 10 0 EEAELP Cc1cc(NCCNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)nc(C(C)C)[nH+]1 ZINC000899135621 693628937 /nfs/dbraw/zinc/62/89/37/693628937.db2.gz INMJYAIVWJNYSE-AWEZNQCLSA-N 2 2 333.480 2.309 10 0 EEAELP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000899220424 693668289 /nfs/dbraw/zinc/66/82/89/693668289.db2.gz BZQCPORYICYLBJ-MRXNPFEDSA-N 2 2 339.524 2.209 10 0 EEAELP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000899220424 693668292 /nfs/dbraw/zinc/66/82/92/693668292.db2.gz BZQCPORYICYLBJ-MRXNPFEDSA-N 2 2 339.524 2.209 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2cc(C)on2)CC1(C)C ZINC001485582570 1191849257 /nfs/dbraw/zinc/84/92/57/1191849257.db2.gz RJNPQDCVBCFJJA-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2cc(C)on2)CC1(C)C ZINC001485582570 1191849259 /nfs/dbraw/zinc/84/92/59/1191849259.db2.gz RJNPQDCVBCFJJA-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1C[N@H+](Cc2cc(C)on2)CC1(C)C ZINC001485582570 1191849260 /nfs/dbraw/zinc/84/92/60/1191849260.db2.gz RJNPQDCVBCFJJA-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1C[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC001485582570 1191849262 /nfs/dbraw/zinc/84/92/62/1191849262.db2.gz RJNPQDCVBCFJJA-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001485740590 1191917156 /nfs/dbraw/zinc/91/71/56/1191917156.db2.gz QMLUMCMQJFLILN-GFCCVEGCSA-N 2 2 336.386 2.305 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(C(F)F)cc1)C(=O)Cn1cc[nH+]c1 ZINC001670365292 1176463001 /nfs/dbraw/zinc/46/30/01/1176463001.db2.gz ORICETDEJFWTRA-UHFFFAOYSA-N 2 2 336.386 2.459 10 0 EEAELP CC(C)CCC[NH2+][C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266414553 1176505181 /nfs/dbraw/zinc/50/51/81/1176505181.db2.gz DYCJJVDZEJGCKL-DLBZAZTESA-N 2 2 332.492 2.366 10 0 EEAELP Cc1c(C(=O)NCC[N@@H+](C)Cc2cncc(F)c2)ccc2c[nH+]cn21 ZINC001480883209 1176819613 /nfs/dbraw/zinc/81/96/13/1176819613.db2.gz ANNGGQXZHDRHBH-UHFFFAOYSA-N 2 2 341.390 2.039 10 0 EEAELP Cc1c(C(=O)NCC[N@H+](C)Cc2cncc(F)c2)ccc2c[nH+]cn21 ZINC001480883209 1176819624 /nfs/dbraw/zinc/81/96/24/1176819624.db2.gz ANNGGQXZHDRHBH-UHFFFAOYSA-N 2 2 341.390 2.039 10 0 EEAELP CN(CC[NH2+]Cc1ccccc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266706412 1177235648 /nfs/dbraw/zinc/23/56/48/1177235648.db2.gz OBSVTBXUTITWSK-UHFFFAOYSA-N 2 2 326.444 2.010 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001266739274 1177327894 /nfs/dbraw/zinc/32/78/94/1177327894.db2.gz YHBPJNLPEWTMGR-UHFFFAOYSA-N 2 2 345.418 2.350 10 0 EEAELP CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001266748495 1177342268 /nfs/dbraw/zinc/34/22/68/1177342268.db2.gz GHJSGFGNJSNBMM-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC001266748433 1177342625 /nfs/dbraw/zinc/34/26/25/1177342625.db2.gz FEPLHFUVHQXTLK-HNNXBMFYSA-N 2 2 346.500 2.372 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1Cc1cc2ccccc2o1)C(=O)Cn1cc[nH+]c1 ZINC001691074866 1177528429 /nfs/dbraw/zinc/52/84/29/1177528429.db2.gz IVUGIVZAFWQNJJ-INIZCTEOSA-N 2 2 338.411 2.362 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1Cc1cc2ccccc2o1)C(=O)Cn1cc[nH+]c1 ZINC001691074866 1177528434 /nfs/dbraw/zinc/52/84/34/1177528434.db2.gz IVUGIVZAFWQNJJ-INIZCTEOSA-N 2 2 338.411 2.362 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CC[C@H]3CCCCO3)ccn12 ZINC001691319540 1177904565 /nfs/dbraw/zinc/90/45/65/1177904565.db2.gz MPXRGVHQVKVXFN-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ncc(C)o1 ZINC001481146612 1179922401 /nfs/dbraw/zinc/92/24/01/1179922401.db2.gz UPBPTWARFIFFFX-HOCLYGCPSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ncc(C)o1 ZINC001481146612 1179922410 /nfs/dbraw/zinc/92/24/10/1179922410.db2.gz UPBPTWARFIFFFX-HOCLYGCPSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)Cc1ncc(C)o1 ZINC001481146612 1179922418 /nfs/dbraw/zinc/92/24/18/1179922418.db2.gz UPBPTWARFIFFFX-HOCLYGCPSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ncc(C)o1 ZINC001481146612 1179922428 /nfs/dbraw/zinc/92/24/28/1179922428.db2.gz UPBPTWARFIFFFX-HOCLYGCPSA-N 2 2 336.480 2.042 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](Cc1cncs1)C1CC1 ZINC001481201365 1180099572 /nfs/dbraw/zinc/09/95/72/1180099572.db2.gz YJDSLCFAHCSWOQ-INIZCTEOSA-N 2 2 336.505 2.098 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](Cc1cncs1)C1CC1 ZINC001481201365 1180099579 /nfs/dbraw/zinc/09/95/79/1180099579.db2.gz YJDSLCFAHCSWOQ-INIZCTEOSA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](Cc1cncs1)C1CC1 ZINC001481201365 1180099586 /nfs/dbraw/zinc/09/95/86/1180099586.db2.gz YJDSLCFAHCSWOQ-INIZCTEOSA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](Cc1cncs1)C1CC1 ZINC001481201365 1180099592 /nfs/dbraw/zinc/09/95/92/1180099592.db2.gz YJDSLCFAHCSWOQ-INIZCTEOSA-N 2 2 336.505 2.098 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267745517 1180377651 /nfs/dbraw/zinc/37/76/51/1180377651.db2.gz TVFIEVDZTOSBLQ-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001267745517 1180377657 /nfs/dbraw/zinc/37/76/57/1180377657.db2.gz TVFIEVDZTOSBLQ-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC001481246758 1180440779 /nfs/dbraw/zinc/44/07/79/1180440779.db2.gz YXZHWZUSDIZCJS-ZACQAIPSSA-N 2 2 332.492 2.411 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001267823601 1180586070 /nfs/dbraw/zinc/58/60/70/1180586070.db2.gz LJOSINTVSLUEPM-HNNXBMFYSA-N 2 2 325.416 2.118 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC[C@H](C)F ZINC001481350311 1181092557 /nfs/dbraw/zinc/09/25/57/1181092557.db2.gz KMWHVTGVTBRSKL-JKSUJKDBSA-N 2 2 338.471 2.410 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC[C@H](C)F ZINC001481350311 1181092562 /nfs/dbraw/zinc/09/25/62/1181092562.db2.gz KMWHVTGVTBRSKL-JKSUJKDBSA-N 2 2 338.471 2.410 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001481528298 1181652230 /nfs/dbraw/zinc/65/22/30/1181652230.db2.gz FTDRAQFPORIVEP-JFIYKMOQSA-N 2 2 347.507 2.013 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cn1 ZINC001481528298 1181652231 /nfs/dbraw/zinc/65/22/31/1181652231.db2.gz FTDRAQFPORIVEP-JFIYKMOQSA-N 2 2 347.507 2.013 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCOC1 ZINC001268163083 1181877752 /nfs/dbraw/zinc/87/77/52/1181877752.db2.gz RBBJPHAGJMQSDR-SJORKVTESA-N 2 2 348.491 2.048 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C[NH2+]CCOC1CCC1 ZINC001268184683 1181969347 /nfs/dbraw/zinc/96/93/47/1181969347.db2.gz BGXHQJBGWMXITD-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCOC1CCC1 ZINC001268184683 1181969351 /nfs/dbraw/zinc/96/93/51/1181969351.db2.gz BGXHQJBGWMXITD-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001268382989 1182414380 /nfs/dbraw/zinc/41/43/80/1182414380.db2.gz GUXWMOWWKRSOGP-OAHLLOKOSA-N 2 2 332.423 2.405 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001268407383 1182523169 /nfs/dbraw/zinc/52/31/69/1182523169.db2.gz TUMAKHGRFJNJMD-STQMWFEESA-N 2 2 335.477 2.284 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(C(C)C)n1 ZINC001481860732 1182824700 /nfs/dbraw/zinc/82/47/00/1182824700.db2.gz CVTSVNDWIAGQKK-CQSZACIVSA-N 2 2 329.448 2.155 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1Cl ZINC001481883590 1182872241 /nfs/dbraw/zinc/87/22/41/1182872241.db2.gz BYIZEDNRGOEOEY-CQSZACIVSA-N 2 2 338.814 2.360 10 0 EEAELP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CCCC1 ZINC001481900377 1182913859 /nfs/dbraw/zinc/91/38/59/1182913859.db2.gz WDGVTWWTLXOIBQ-HUUCEWRRSA-N 2 2 336.455 2.212 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001482000332 1183115235 /nfs/dbraw/zinc/11/52/35/1183115235.db2.gz NIUKYUFOWRPFTG-GOSISDBHSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001482065730 1183282188 /nfs/dbraw/zinc/28/21/88/1183282188.db2.gz QADLUWVTYQOETR-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP Cc1ncc(C[NH2+]C/C=C/CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001268596606 1183447763 /nfs/dbraw/zinc/44/77/63/1183447763.db2.gz JVKKFRROBGNTSX-OOPCZODUSA-N 2 2 333.461 2.061 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001482340011 1185436281 /nfs/dbraw/zinc/43/62/81/1185436281.db2.gz YWLAPLKJMPNAND-OLZOCXBDSA-N 2 2 335.477 2.236 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001482369505 1185532861 /nfs/dbraw/zinc/53/28/61/1185532861.db2.gz MWOZSLNNWCQPHR-HOCLYGCPSA-N 2 2 348.491 2.363 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001482369505 1185532866 /nfs/dbraw/zinc/53/28/66/1185532866.db2.gz MWOZSLNNWCQPHR-HOCLYGCPSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC001482373075 1185541609 /nfs/dbraw/zinc/54/16/09/1185541609.db2.gz GQGSMYRXZIGSBE-QWHCGFSZSA-N 2 2 336.386 2.359 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1 ZINC001482539121 1186597897 /nfs/dbraw/zinc/59/78/97/1186597897.db2.gz PEJBQEUDRWRFJC-PKOBYXMFSA-N 2 2 340.471 2.376 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482556739 1186728940 /nfs/dbraw/zinc/72/89/40/1186728940.db2.gz LTWHTIXVIGBXMF-GOSISDBHSA-N 2 2 339.443 2.364 10 0 EEAELP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CCc1[nH+]ccn1C ZINC001482615856 1187422040 /nfs/dbraw/zinc/42/20/40/1187422040.db2.gz UBCMIKIYFVYSSQ-UHFFFAOYSA-N 2 2 332.492 2.323 10 0 EEAELP CN(CC[N@@H+](C)CC1CC2(CCC2)C1)C(=O)CCc1[nH+]ccn1C ZINC001482615856 1187422043 /nfs/dbraw/zinc/42/20/43/1187422043.db2.gz UBCMIKIYFVYSSQ-UHFFFAOYSA-N 2 2 332.492 2.323 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001482693324 1187660200 /nfs/dbraw/zinc/66/02/00/1187660200.db2.gz LWLLZAHYTWQPGM-ZBFHGGJFSA-N 2 2 346.500 2.439 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)CCc1c[nH+]cn1C ZINC001482966951 1187903736 /nfs/dbraw/zinc/90/37/36/1187903736.db2.gz DMCZEPLACNUIMO-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001483043012 1188194206 /nfs/dbraw/zinc/19/42/06/1188194206.db2.gz SCGUWZUJMQGJOK-AATRIKPKSA-N 2 2 348.491 2.434 10 0 EEAELP CCc1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001483068681 1188413730 /nfs/dbraw/zinc/41/37/30/1188413730.db2.gz MGMKMCLYFOIQIK-JUPLKNRCSA-N 2 2 346.475 2.016 10 0 EEAELP CCc1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)o1 ZINC001483068681 1188413734 /nfs/dbraw/zinc/41/37/34/1188413734.db2.gz MGMKMCLYFOIQIK-JUPLKNRCSA-N 2 2 346.475 2.016 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)oc1C ZINC001483070854 1188419516 /nfs/dbraw/zinc/41/95/16/1188419516.db2.gz SPBPGOCMJDCPJF-JTGQJZMRSA-N 2 2 348.491 2.316 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)oc1C ZINC001483070854 1188419518 /nfs/dbraw/zinc/41/95/18/1188419518.db2.gz SPBPGOCMJDCPJF-JTGQJZMRSA-N 2 2 348.491 2.316 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCc2ccc(Cl)cc21)NC(=O)Cc1c[nH]c[nH+]1 ZINC001483170856 1189017437 /nfs/dbraw/zinc/01/74/37/1189017437.db2.gz VTGAUHVFLVNERB-BDJLRTHQSA-N 2 2 332.835 2.387 10 0 EEAELP CCc1nocc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001409347771 1189558603 /nfs/dbraw/zinc/55/86/03/1189558603.db2.gz FZBVWXXBKFXLNP-ZIAGYGMSSA-N 2 2 347.463 2.160 10 0 EEAELP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001409445184 1189685912 /nfs/dbraw/zinc/68/59/12/1189685912.db2.gz IJLXQYDVDXHLQZ-HUUCEWRRSA-N 2 2 338.471 2.268 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)Cc1cncc(F)c1 ZINC001409625363 1190119385 /nfs/dbraw/zinc/11/93/85/1190119385.db2.gz LOFWIURDJTVPJB-AWEZNQCLSA-N 2 2 347.438 2.177 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)Cc1cncc(F)c1 ZINC001409625363 1190119387 /nfs/dbraw/zinc/11/93/87/1190119387.db2.gz LOFWIURDJTVPJB-AWEZNQCLSA-N 2 2 347.438 2.177 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)cc1F)n1cc[nH+]c1 ZINC001483269319 1190292883 /nfs/dbraw/zinc/29/28/83/1190292883.db2.gz HTNXKGJHOVRWOL-QWHCGFSZSA-N 2 2 336.386 2.407 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cscn1 ZINC001409838370 1190670072 /nfs/dbraw/zinc/67/00/72/1190670072.db2.gz ZFXIFHWNJYMWOW-MRXNPFEDSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1cscn1 ZINC001409838370 1190670074 /nfs/dbraw/zinc/67/00/74/1190670074.db2.gz ZFXIFHWNJYMWOW-MRXNPFEDSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCC[C@@H]2NC(=O)Cn2cc[nH+]c2)cc1 ZINC001272343665 1190777224 /nfs/dbraw/zinc/77/72/24/1190777224.db2.gz OMBACVKHEKEQKX-MOPGFXCFSA-N 2 2 340.471 2.309 10 0 EEAELP CC[C@H](C[N@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC001483818904 1191047249 /nfs/dbraw/zinc/04/72/49/1191047249.db2.gz WEHFGMVXDUOYQP-GOSISDBHSA-N 2 2 348.491 2.011 10 0 EEAELP CC[C@H](C[N@@H+](CC1CC1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1)OC ZINC001483818904 1191047252 /nfs/dbraw/zinc/04/72/52/1191047252.db2.gz WEHFGMVXDUOYQP-GOSISDBHSA-N 2 2 348.491 2.011 10 0 EEAELP C[C@H](O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001483814121 1191059161 /nfs/dbraw/zinc/05/91/61/1191059161.db2.gz PHCXMFHPBURRLL-USXIJHARSA-N 2 2 348.491 2.035 10 0 EEAELP C[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001483814121 1191059165 /nfs/dbraw/zinc/05/91/65/1191059165.db2.gz PHCXMFHPBURRLL-USXIJHARSA-N 2 2 348.491 2.035 10 0 EEAELP C[C@H](O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001483814121 1191059168 /nfs/dbraw/zinc/05/91/68/1191059168.db2.gz PHCXMFHPBURRLL-USXIJHARSA-N 2 2 348.491 2.035 10 0 EEAELP C[C@H](O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001483814121 1191059170 /nfs/dbraw/zinc/05/91/70/1191059170.db2.gz PHCXMFHPBURRLL-USXIJHARSA-N 2 2 348.491 2.035 10 0 EEAELP CC/C=C/CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001483876510 1191104373 /nfs/dbraw/zinc/10/43/73/1191104373.db2.gz WNQPCIJHMFDSEI-JFDDCEBESA-N 2 2 330.476 2.253 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001484121860 1191221813 /nfs/dbraw/zinc/22/18/13/1191221813.db2.gz KIGGJWREECOANY-LJQANCHMSA-N 2 2 330.476 2.291 10 0 EEAELP CC[C@@H](C[NH2+]CC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)OC ZINC001484530006 1191400062 /nfs/dbraw/zinc/40/00/62/1191400062.db2.gz OXOKHBBUCYBRSC-CVEARBPZSA-N 2 2 344.459 2.201 10 0 EEAELP COc1ccc(C)cc1C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001484664080 1191463511 /nfs/dbraw/zinc/46/35/11/1191463511.db2.gz ATIHRPLDRCYQGA-UHFFFAOYSA-N 2 2 342.443 2.029 10 0 EEAELP CN(CCC[N@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)Cn1cc[nH+]c1 ZINC001484769312 1191512744 /nfs/dbraw/zinc/51/27/44/1191512744.db2.gz CODVHGIHRZDTEQ-GOSISDBHSA-N 2 2 344.434 2.490 10 0 EEAELP CN(CCC[N@@H+](C)[C@@H]1CCc2c1cccc2F)C(=O)Cn1cc[nH+]c1 ZINC001484769312 1191512746 /nfs/dbraw/zinc/51/27/46/1191512746.db2.gz CODVHGIHRZDTEQ-GOSISDBHSA-N 2 2 344.434 2.490 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H](C)[C@H](C)[NH2+]CCOC(C)C)[nH+]c12 ZINC001485198524 1191682662 /nfs/dbraw/zinc/68/26/62/1191682662.db2.gz KITHBANVNCRMHZ-JKSUJKDBSA-N 2 2 346.475 2.093 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001485234535 1191701102 /nfs/dbraw/zinc/70/11/02/1191701102.db2.gz LSHOILQSVIIJOE-SJORKVTESA-N 2 2 328.460 2.307 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[C@@H]([NH2+]CCF)C(C)C)c[nH+]1 ZINC001485434370 1191783924 /nfs/dbraw/zinc/78/39/24/1191783924.db2.gz LCHIAVQMWZRZDD-OAHLLOKOSA-N 2 2 326.460 2.359 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C)s1 ZINC001486407534 1193915537 /nfs/dbraw/zinc/91/55/37/1193915537.db2.gz QNTYFPTZBUYUIN-OAHLLOKOSA-N 2 2 349.504 2.359 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCc1ccns1)NC(=O)CCn1cc[nH+]c1 ZINC001486407513 1193915775 /nfs/dbraw/zinc/91/57/75/1193915775.db2.gz QBOOYNLFLHJPEE-HNNXBMFYSA-N 2 2 349.504 2.093 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CC1=CCCCC1)C(=O)CCc1c[nH+]cn1C ZINC001691674362 1197471624 /nfs/dbraw/zinc/47/16/24/1197471624.db2.gz DDIKROKMGOOBAK-GOSISDBHSA-N 2 2 330.476 2.386 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CC1=CCCCC1)C(=O)CCc1c[nH+]cn1C ZINC001691674362 1197471627 /nfs/dbraw/zinc/47/16/27/1197471627.db2.gz DDIKROKMGOOBAK-GOSISDBHSA-N 2 2 330.476 2.386 10 0 EEAELP CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001410103595 1197550481 /nfs/dbraw/zinc/55/04/81/1197550481.db2.gz BEKFDMATNCANRO-XDKFSHSGSA-N 2 2 332.492 2.319 10 0 EEAELP CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001410103595 1197550486 /nfs/dbraw/zinc/55/04/86/1197550486.db2.gz BEKFDMATNCANRO-XDKFSHSGSA-N 2 2 332.492 2.319 10 0 EEAELP CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001410103595 1197550490 /nfs/dbraw/zinc/55/04/90/1197550490.db2.gz BEKFDMATNCANRO-XDKFSHSGSA-N 2 2 332.492 2.319 10 0 EEAELP CCC(CC)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001410103595 1197550494 /nfs/dbraw/zinc/55/04/94/1197550494.db2.gz BEKFDMATNCANRO-XDKFSHSGSA-N 2 2 332.492 2.319 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000871624026 1197794982 /nfs/dbraw/zinc/79/49/82/1197794982.db2.gz RBNLPPFVUJCWDL-MRXNPFEDSA-N 2 2 333.480 2.322 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001410441897 1197904416 /nfs/dbraw/zinc/90/44/16/1197904416.db2.gz CHHRQMJFKHOFPN-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659313 1198320655 /nfs/dbraw/zinc/32/06/55/1198320655.db2.gz LUBUYFHGBWCAKT-NEWSRXKRSA-N 2 2 331.504 2.257 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C1 ZINC000865659313 1198320662 /nfs/dbraw/zinc/32/06/62/1198320662.db2.gz LUBUYFHGBWCAKT-NEWSRXKRSA-N 2 2 331.504 2.257 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000865659313 1198320672 /nfs/dbraw/zinc/32/06/72/1198320672.db2.gz LUBUYFHGBWCAKT-NEWSRXKRSA-N 2 2 331.504 2.257 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C1 ZINC000865659313 1198320680 /nfs/dbraw/zinc/32/06/80/1198320680.db2.gz LUBUYFHGBWCAKT-NEWSRXKRSA-N 2 2 331.504 2.257 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@@H]1[N@H+](Cc1cccnc1)CC2 ZINC001410915461 1198570389 /nfs/dbraw/zinc/57/03/89/1198570389.db2.gz VPWLSKXNCADWOH-PKOBYXMFSA-N 2 2 339.443 2.051 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@@H]1[N@@H+](Cc1cccnc1)CC2 ZINC001410915461 1198570395 /nfs/dbraw/zinc/57/03/95/1198570395.db2.gz VPWLSKXNCADWOH-PKOBYXMFSA-N 2 2 339.443 2.051 10 0 EEAELP Cc1csc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)n1 ZINC001410930882 1198595889 /nfs/dbraw/zinc/59/58/89/1198595889.db2.gz QDPLGDRMJCGDBZ-GJZGRUSLSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1csc(C[NH+]2CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]2C)n1 ZINC001410930882 1198595892 /nfs/dbraw/zinc/59/58/92/1198595892.db2.gz QDPLGDRMJCGDBZ-GJZGRUSLSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1csc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]2C)n1 ZINC001410930882 1198595896 /nfs/dbraw/zinc/59/58/96/1198595896.db2.gz QDPLGDRMJCGDBZ-GJZGRUSLSA-N 2 2 338.521 2.261 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001410965634 1198645681 /nfs/dbraw/zinc/64/56/81/1198645681.db2.gz VGNFXGXTRQDJQV-GOEBONIOSA-N 2 2 346.500 2.489 10 0 EEAELP C(C[NH+]1CCOCC1)C1CC[NH+](Cc2nc3c(o2)CCCC3)CC1 ZINC000878015910 1200214024 /nfs/dbraw/zinc/21/40/24/1200214024.db2.gz NBPJGIOMFHUZFD-UHFFFAOYSA-N 2 2 333.476 2.488 10 0 EEAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC=CC[NH2+]CCC(C)(C)C)[nH]n1 ZINC001274050155 1204347120 /nfs/dbraw/zinc/34/71/20/1204347120.db2.gz YRCANZSIHKNXTK-KEGWNNHHSA-N 2 2 347.507 2.488 10 0 EEAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC=CC[NH2+]CCC(C)(C)C)[nH]n1 ZINC001274050155 1204347123 /nfs/dbraw/zinc/34/71/23/1204347123.db2.gz YRCANZSIHKNXTK-KEGWNNHHSA-N 2 2 347.507 2.488 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001274243845 1204972796 /nfs/dbraw/zinc/97/27/96/1204972796.db2.gz COMJFLUSLYYMRN-KROLTMCQSA-N 2 2 342.418 2.362 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)[C@H](CC)[N@@H+]2CCO[C@@H](CC)C2)CC1 ZINC001411738536 1205506547 /nfs/dbraw/zinc/50/65/47/1205506547.db2.gz DHAWBVQXJYRPGE-ROUUACIJSA-N 2 2 339.524 2.114 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)[C@H](CC)[N@H+]2CCO[C@@H](CC)C2)CC1 ZINC001411738536 1205506548 /nfs/dbraw/zinc/50/65/48/1205506548.db2.gz DHAWBVQXJYRPGE-ROUUACIJSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]CCc2ccns2)c[nH+]1 ZINC001276070270 1205760774 /nfs/dbraw/zinc/76/07/74/1205760774.db2.gz DSGBNDHGWUGBGU-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP Fc1cccc([C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)N2CCOCC2)c1 ZINC000925486074 1206118627 /nfs/dbraw/zinc/11/86/27/1206118627.db2.gz DWDLJOYIOUOODE-RBUKOAKNSA-N 2 2 347.478 2.463 10 0 EEAELP COc1cc(Br)cc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c1 ZINC000925828757 1206157976 /nfs/dbraw/zinc/15/79/76/1206157976.db2.gz IAJJZDAHNHGWBI-RISCZKNCSA-N 2 2 343.265 2.314 10 0 EEAELP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929813516 1206504765 /nfs/dbraw/zinc/50/47/65/1206504765.db2.gz KXKNXZSGXHIJER-FYQPLNBISA-N 2 2 332.488 2.420 10 0 EEAELP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929813516 1206504766 /nfs/dbraw/zinc/50/47/66/1206504766.db2.gz KXKNXZSGXHIJER-FYQPLNBISA-N 2 2 332.488 2.420 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929813516 1206504768 /nfs/dbraw/zinc/50/47/68/1206504768.db2.gz KXKNXZSGXHIJER-FYQPLNBISA-N 2 2 332.488 2.420 10 0 EEAELP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000929813516 1206504769 /nfs/dbraw/zinc/50/47/69/1206504769.db2.gz KXKNXZSGXHIJER-FYQPLNBISA-N 2 2 332.488 2.420 10 0 EEAELP C[C@@H]1C[N@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930136539 1206537134 /nfs/dbraw/zinc/53/71/34/1206537134.db2.gz MRYBDZSRDKHXCI-FXUDXRNXSA-N 2 2 349.441 2.054 10 0 EEAELP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000930136539 1206537135 /nfs/dbraw/zinc/53/71/35/1206537135.db2.gz MRYBDZSRDKHXCI-FXUDXRNXSA-N 2 2 349.441 2.054 10 0 EEAELP COc1ccc2c(c1)C[C@H](C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1)O2 ZINC000930625729 1206571530 /nfs/dbraw/zinc/57/15/30/1206571530.db2.gz IOHZGCMHWMCYOM-GOSISDBHSA-N 2 2 348.487 2.071 10 0 EEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@]1(C)C[NH+](C[C@@H]1CCC(=O)N1)C2 ZINC000931226292 1206617636 /nfs/dbraw/zinc/61/76/36/1206617636.db2.gz YJNNITGSUVIKRO-DFQSSKMNSA-N 2 2 327.472 2.109 10 0 EEAELP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932575618 1207629489 /nfs/dbraw/zinc/62/94/89/1207629489.db2.gz DHGNYIGRYLOPOR-DSLXNQLJSA-N 2 2 333.520 2.440 10 0 EEAELP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932575618 1207629491 /nfs/dbraw/zinc/62/94/91/1207629491.db2.gz DHGNYIGRYLOPOR-DSLXNQLJSA-N 2 2 333.520 2.440 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)C[C@]2(C)C1 ZINC000933738394 1207830344 /nfs/dbraw/zinc/83/03/44/1207830344.db2.gz YSVKITLZERWNDM-BJZITVGISA-N 2 2 331.435 2.205 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)C[C@]2(C)C1 ZINC000933738394 1207830350 /nfs/dbraw/zinc/83/03/50/1207830350.db2.gz YSVKITLZERWNDM-BJZITVGISA-N 2 2 331.435 2.205 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccccc4F)C3=O)C[C@]2(C)C1 ZINC000933738394 1207830353 /nfs/dbraw/zinc/83/03/53/1207830353.db2.gz YSVKITLZERWNDM-BJZITVGISA-N 2 2 331.435 2.205 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccccc4F)C3=O)C[C@]2(C)C1 ZINC000933738394 1207830356 /nfs/dbraw/zinc/83/03/56/1207830356.db2.gz YSVKITLZERWNDM-BJZITVGISA-N 2 2 331.435 2.205 10 0 EEAELP CNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001413055997 1225557784 /nfs/dbraw/zinc/55/77/84/1225557784.db2.gz FJMXFTIHHQVVSF-INIZCTEOSA-N 2 2 327.432 2.074 10 0 EEAELP CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2C)C1 ZINC001413055997 1225557790 /nfs/dbraw/zinc/55/77/90/1225557790.db2.gz FJMXFTIHHQVVSF-INIZCTEOSA-N 2 2 327.432 2.074 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000796573616 1221420469 /nfs/dbraw/zinc/42/04/69/1221420469.db2.gz AFOGPYXBFFIUBR-QGZVFWFLSA-N 2 2 331.391 2.085 10 0 EEAELP c1cc(C[NH+]2CCOCC2)cc(-c2noc(C3=CCC[NH2+]CC3)n2)c1 ZINC000900000930 1233962903 /nfs/dbraw/zinc/96/29/03/1233962903.db2.gz ZNZIXSQXPBQZBR-UHFFFAOYSA-N 2 2 340.427 2.336 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900485489 1234406097 /nfs/dbraw/zinc/40/60/97/1234406097.db2.gz TWRVIPMTILKOGP-UHFFFAOYSA-N 2 2 341.459 2.067 10 0 EEAELP C[NH+](C)CCCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900689297 1234663745 /nfs/dbraw/zinc/66/37/45/1234663745.db2.gz IHJKHEHVRKJWJO-UHFFFAOYSA-N 2 2 329.448 2.067 10 0 EEAELP O=S(=O)(CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2)c1ccc(F)cc1 ZINC000903484649 1240620850 /nfs/dbraw/zinc/62/08/50/1240620850.db2.gz UMOWDRQSIYSRFC-MRXNPFEDSA-N 2 2 340.464 2.254 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001490921846 1258489145 /nfs/dbraw/zinc/48/91/45/1258489145.db2.gz FJLVGVAFUBQBSG-XDLLTMSPSA-N 2 2 349.519 2.223 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001490921846 1258489147 /nfs/dbraw/zinc/48/91/47/1258489147.db2.gz FJLVGVAFUBQBSG-XDLLTMSPSA-N 2 2 349.519 2.223 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001491018491 1258574817 /nfs/dbraw/zinc/57/48/17/1258574817.db2.gz NIHFYOMWRHKONM-AEGPPILISA-N 2 2 345.447 2.130 10 0 EEAELP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001491031190 1258588725 /nfs/dbraw/zinc/58/87/25/1258588725.db2.gz DWPIMIVEYUXHHE-AXLMZEGOSA-N 2 2 330.476 2.429 10 0 EEAELP CCC[NH2+]C[C@@H]1CCCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001491175861 1258738916 /nfs/dbraw/zinc/73/89/16/1258738916.db2.gz HFTVCOMSEDIITF-INIZCTEOSA-N 2 2 328.460 2.423 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001491275766 1258873763 /nfs/dbraw/zinc/87/37/63/1258873763.db2.gz LTUFBUCELLQKSH-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001491294120 1258918548 /nfs/dbraw/zinc/91/85/48/1258918548.db2.gz BCCWCMMLLJTCSJ-GOEBONIOSA-N 2 2 346.500 2.441 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001491294120 1258918559 /nfs/dbraw/zinc/91/85/59/1258918559.db2.gz BCCWCMMLLJTCSJ-GOEBONIOSA-N 2 2 346.500 2.441 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001491456043 1259100157 /nfs/dbraw/zinc/10/01/57/1259100157.db2.gz VVPMTEJODGGAET-CABCVRRESA-N 2 2 336.480 2.265 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)CCc1c[nH+]cn1C ZINC001273731577 1284350911 /nfs/dbraw/zinc/35/09/11/1284350911.db2.gz CXKCIFOWYIGEEK-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP O=C(NC[C@H]1C[C@@H]([NH2+]CCCCCF)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001488747956 1290199589 /nfs/dbraw/zinc/19/95/89/1290199589.db2.gz OHGWFMANIKBMAL-OAGGEKHMSA-N 2 2 336.455 2.070 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCOCC[N@@H+](C)CC(C)C)ccn12 ZINC001489212668 1290452450 /nfs/dbraw/zinc/45/24/50/1290452450.db2.gz WWXJYYKZVLPTRS-UHFFFAOYSA-N 2 2 346.475 2.319 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCOCC[N@H+](C)CC(C)C)ccn12 ZINC001489212668 1290452470 /nfs/dbraw/zinc/45/24/70/1290452470.db2.gz WWXJYYKZVLPTRS-UHFFFAOYSA-N 2 2 346.475 2.319 10 0 EEAELP Cc1cccn2cc(CC(=O)NCCC[N@@H+](C)CC[C@@H](C)F)[nH+]c12 ZINC001490259341 1291076760 /nfs/dbraw/zinc/07/67/60/1291076760.db2.gz SLCUQABUPONOIQ-OAHLLOKOSA-N 2 2 334.439 2.371 10 0 EEAELP Cc1cccn2cc(CC(=O)NCCC[N@H+](C)CC[C@@H](C)F)[nH+]c12 ZINC001490259341 1291076778 /nfs/dbraw/zinc/07/67/78/1291076778.db2.gz SLCUQABUPONOIQ-OAHLLOKOSA-N 2 2 334.439 2.371 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852008915 1291951903 /nfs/dbraw/zinc/95/19/03/1291951903.db2.gz JTGWYCMVQYDZRE-PKOBYXMFSA-N 2 2 336.451 2.354 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852008915 1291951907 /nfs/dbraw/zinc/95/19/07/1291951907.db2.gz JTGWYCMVQYDZRE-PKOBYXMFSA-N 2 2 336.451 2.354 10 0 EEAELP O=C(C=C1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000852866646 1292220333 /nfs/dbraw/zinc/22/03/33/1292220333.db2.gz JMWBMJQIMTWGNI-HNNXBMFYSA-N 2 2 349.425 2.355 10 0 EEAELP O=C(C=C1CC[NH2+]CC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000852866646 1292220341 /nfs/dbraw/zinc/22/03/41/1292220341.db2.gz JMWBMJQIMTWGNI-HNNXBMFYSA-N 2 2 349.425 2.355 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591054 1293573854 /nfs/dbraw/zinc/57/38/54/1293573854.db2.gz HJRICJQZQBSFEF-CXAGYDPISA-N 2 2 345.447 2.439 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591054 1293573858 /nfs/dbraw/zinc/57/38/58/1293573858.db2.gz HJRICJQZQBSFEF-CXAGYDPISA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591054 1293573862 /nfs/dbraw/zinc/57/38/62/1293573862.db2.gz HJRICJQZQBSFEF-CXAGYDPISA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591054 1293573868 /nfs/dbraw/zinc/57/38/68/1293573868.db2.gz HJRICJQZQBSFEF-CXAGYDPISA-N 2 2 345.447 2.439 10 0 EEAELP CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@@H]1[NH2+]CCCCCF ZINC001276758775 1297490202 /nfs/dbraw/zinc/49/02/02/1297490202.db2.gz CUBIWVHXVDMNCB-RDJZCZTQSA-N 2 2 338.471 2.319 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC[C@@H]1CCCCO1)C1CCCC1 ZINC001278274794 1308946837 /nfs/dbraw/zinc/94/68/37/1308946837.db2.gz LJLBVHMCQNUEPF-ROUUACIJSA-N 2 2 348.491 2.176 10 0 EEAELP CCOCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001278392090 1310008293 /nfs/dbraw/zinc/00/82/93/1310008293.db2.gz RWOWOVAHRUIGKQ-NVXWUHKLSA-N 2 2 342.443 2.101 10 0 EEAELP Cn1c[nH+]cc1Cc1noc(-c2ccc3c(ccn3CCC[NH3+])c2)n1 ZINC000843199743 1315865471 /nfs/dbraw/zinc/86/54/71/1315865471.db2.gz HJTUUEZXMLBYRK-UHFFFAOYSA-N 2 2 336.399 2.364 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCNC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001265041672 1322882873 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SRWATASVPKYCTN-ROUUACIJSA-N 2 2 348.491 2.143 10 0 EEAELP CC/C=C\CC[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001567830558 1342847407 /nfs/dbraw/zinc/84/74/07/1342847407.db2.gz SPEZZQROLMXLDK-ARJAWSKDSA-N 2 2 330.476 2.166 10 0 EEAELP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001571363269 1343199910 /nfs/dbraw/zinc/19/99/10/1343199910.db2.gz ZJDFEDBQXMXZJS-DIZWUGPBSA-N 2 2 336.867 2.025 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCOc2ccccc2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001676651436 1357175178 /nfs/dbraw/zinc/17/51/78/1357175178.db2.gz YJJWTMYJWWZJNN-QAPCUYQASA-N 2 2 342.443 2.000 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCOc2ccccc2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001676651436 1357175180 /nfs/dbraw/zinc/17/51/80/1357175180.db2.gz YJJWTMYJWWZJNN-QAPCUYQASA-N 2 2 342.443 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676968941 1357251569 /nfs/dbraw/zinc/25/15/69/1357251569.db2.gz FDSWWPKMGYEHFY-RYUDHWBXSA-N 2 2 332.370 2.088 10 0 EEAELP CC(C)OCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001677266367 1357304291 /nfs/dbraw/zinc/30/42/91/1357304291.db2.gz GSQDQNFQVJRFMD-INIZCTEOSA-N 2 2 346.475 2.493 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001671233685 1353204210 /nfs/dbraw/zinc/20/42/10/1353204210.db2.gz XRVZCWLMUXWQJX-RDJZCZTQSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)CCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001671233685 1353204215 /nfs/dbraw/zinc/20/42/15/1353204215.db2.gz XRVZCWLMUXWQJX-RDJZCZTQSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(NC[C@H]([NH2+]CCOC1CCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001661143632 1354597586 /nfs/dbraw/zinc/59/75/86/1354597586.db2.gz YGVDVNBQNGXWEA-SFHVURJKSA-N 2 2 342.443 2.230 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)c(C)[nH+]1 ZINC001662287426 1354775560 /nfs/dbraw/zinc/77/55/60/1354775560.db2.gz DCFPXIRAWIPZKA-OCCSQVGLSA-N 2 2 341.402 2.139 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCCO1 ZINC001663110984 1354917888 /nfs/dbraw/zinc/91/78/88/1354917888.db2.gz XIIKYYBRGJFTQH-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1CC[C@H]1CCCCO1 ZINC001663110984 1354917890 /nfs/dbraw/zinc/91/78/90/1354917890.db2.gz XIIKYYBRGJFTQH-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001664309387 1355136186 /nfs/dbraw/zinc/13/61/86/1355136186.db2.gz OJDWDGFUEPQPAX-UHFFFAOYSA-N 2 2 335.477 2.009 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)no1 ZINC001664395536 1355154181 /nfs/dbraw/zinc/15/41/81/1355154181.db2.gz SXTXGRQANSVLFA-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(F)c1 ZINC001665425274 1355306115 /nfs/dbraw/zinc/30/61/15/1355306115.db2.gz OZTRFUPTOODWJM-ROUUACIJSA-N 2 2 333.451 2.343 10 0 EEAELP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(F)c1 ZINC001665425274 1355306120 /nfs/dbraw/zinc/30/61/20/1355306120.db2.gz OZTRFUPTOODWJM-ROUUACIJSA-N 2 2 333.451 2.343 10 0 EEAELP COCC[NH2+]C[C@@](C)(NC(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC001666011998 1355425265 /nfs/dbraw/zinc/42/52/65/1355425265.db2.gz UCDGLZQUUMUFDS-LJQANCHMSA-N 2 2 342.443 2.007 10 0 EEAELP CCC/C=C\CC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001666708991 1355572406 /nfs/dbraw/zinc/57/24/06/1355572406.db2.gz VHXPQFWSEANKDD-OSFIAYCASA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C\CC[N@H+]1CCO[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001666708991 1355572411 /nfs/dbraw/zinc/57/24/11/1355572411.db2.gz VHXPQFWSEANKDD-OSFIAYCASA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C\CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001666708991 1355572417 /nfs/dbraw/zinc/57/24/17/1355572417.db2.gz VHXPQFWSEANKDD-OSFIAYCASA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C\CC[NH+]1CCO[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001666708991 1355572423 /nfs/dbraw/zinc/57/24/23/1355572423.db2.gz VHXPQFWSEANKDD-OSFIAYCASA-N 2 2 337.508 2.034 10 0 EEAELP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001666937413 1355618347 /nfs/dbraw/zinc/61/83/47/1355618347.db2.gz BTMWUKWMNYMHMH-CABCVRRESA-N 2 2 346.500 2.186 10 0 EEAELP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001667267415 1355693495 /nfs/dbraw/zinc/69/34/95/1355693495.db2.gz JPCGKRJPHKUFAV-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001668895376 1356038898 /nfs/dbraw/zinc/03/88/98/1356038898.db2.gz YVGITFITWSBWLI-MMUANNJHSA-N 2 2 338.455 2.469 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@H](c2ccccc2)[NH+](C)C)co1 ZINC001669207337 1356126063 /nfs/dbraw/zinc/12/60/63/1356126063.db2.gz LVYSZNZWAHNWLH-DVBCCOPCSA-N 2 2 342.443 2.048 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC001674735179 1356885908 /nfs/dbraw/zinc/88/59/08/1356885908.db2.gz ONWPPKDDLCSOMQ-KBPBESRZSA-N 2 2 332.423 2.207 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)Cn1cc[nH+]c1 ZINC001699555325 1405394198 /nfs/dbraw/zinc/39/41/98/1405394198.db2.gz CBULIZPVVGUBET-UHFFFAOYSA-N 2 2 326.853 2.236 10 0 EEAELP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@H](C)Cn2cc[nH+]c2)cc(Cl)n1 ZINC000844174917 788887378 /nfs/dbraw/zinc/88/73/78/788887378.db2.gz DNMMIYDUQMCVKF-FZMZJTMJSA-N 2 2 335.839 2.082 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000923392619 789480691 /nfs/dbraw/zinc/48/06/91/789480691.db2.gz KGVLSHZNZFCESW-KOHRHEQBSA-N 2 2 334.460 2.028 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000923392619 789480700 /nfs/dbraw/zinc/48/07/00/789480700.db2.gz KGVLSHZNZFCESW-KOHRHEQBSA-N 2 2 334.460 2.028 10 0 EEAELP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000846064708 790050429 /nfs/dbraw/zinc/05/04/29/790050429.db2.gz UMMSOBAMUGWJKK-QGZVFWFLSA-N 2 2 331.460 2.183 10 0 EEAELP CCON(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000846064708 790050434 /nfs/dbraw/zinc/05/04/34/790050434.db2.gz UMMSOBAMUGWJKK-QGZVFWFLSA-N 2 2 331.460 2.183 10 0 EEAELP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921861504 797697152 /nfs/dbraw/zinc/69/71/52/797697152.db2.gz XBQMBWDPDIWPDB-PMACEKPBSA-N 2 2 329.488 2.428 10 0 EEAELP Cc1ncsc1C[N@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001566474411 1125635888 /nfs/dbraw/zinc/63/58/88/1125635888.db2.gz ZQYHZBNDZNCDMC-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP Cc1ncsc1C[N@@H+](C)CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001566474411 1125635890 /nfs/dbraw/zinc/63/58/90/1125635890.db2.gz ZQYHZBNDZNCDMC-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP CC[C@@H](C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]c[nH+]c2C)C1)OC ZINC001436474789 1087941246 /nfs/dbraw/zinc/94/12/46/1087941246.db2.gz JGNZTAMHRNKBRT-CVEARBPZSA-N 2 2 336.480 2.046 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001436910534 1088568415 /nfs/dbraw/zinc/56/84/15/1088568415.db2.gz FSIDZPYLBHWVJS-CRWXNKLISA-N 2 2 340.418 2.261 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCC(F)(F)C2)C1 ZINC001436910534 1088568423 /nfs/dbraw/zinc/56/84/23/1088568423.db2.gz FSIDZPYLBHWVJS-CRWXNKLISA-N 2 2 340.418 2.261 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C2)n1 ZINC001436961464 1088650591 /nfs/dbraw/zinc/65/05/91/1088650591.db2.gz VKTISVYMPMOZQO-CALCHBBNSA-N 2 2 341.459 2.229 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001437021098 1088812530 /nfs/dbraw/zinc/81/25/30/1088812530.db2.gz WEORZFLCDJKYFS-OAHLLOKOSA-N 2 2 345.447 2.023 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001437021098 1088812545 /nfs/dbraw/zinc/81/25/45/1088812545.db2.gz WEORZFLCDJKYFS-OAHLLOKOSA-N 2 2 345.447 2.023 10 0 EEAELP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cncc(F)c2)CCC1 ZINC001437029442 1088841594 /nfs/dbraw/zinc/84/15/94/1088841594.db2.gz AKAUTRBIHGCFJM-QGZVFWFLSA-N 2 2 348.466 2.176 10 0 EEAELP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cncc(F)c2)CCC1 ZINC001437029442 1088841612 /nfs/dbraw/zinc/84/16/12/1088841612.db2.gz AKAUTRBIHGCFJM-QGZVFWFLSA-N 2 2 348.466 2.176 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001437247142 1089364761 /nfs/dbraw/zinc/36/47/61/1089364761.db2.gz MQQHHCJFMMWWHU-OAHLLOKOSA-N 2 2 332.492 2.417 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001437391824 1089644464 /nfs/dbraw/zinc/64/44/64/1089644464.db2.gz ZRHWVACHWLVNRL-GDBMZVCRSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001437668100 1090195836 /nfs/dbraw/zinc/19/58/36/1090195836.db2.gz RZEKHCUTSRCHFV-JKSUJKDBSA-N 2 2 348.491 2.499 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CCC[C@@H]2CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001437668100 1090195844 /nfs/dbraw/zinc/19/58/44/1090195844.db2.gz RZEKHCUTSRCHFV-JKSUJKDBSA-N 2 2 348.491 2.499 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccnc2)c[nH+]1 ZINC001437682185 1090218427 /nfs/dbraw/zinc/21/84/27/1090218427.db2.gz SIIUYDNRBRRPOX-KRWDZBQOSA-N 2 2 341.459 2.102 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccnc2)c[nH+]1 ZINC001437682185 1090218431 /nfs/dbraw/zinc/21/84/31/1090218431.db2.gz SIIUYDNRBRRPOX-KRWDZBQOSA-N 2 2 341.459 2.102 10 0 EEAELP CCc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001437702894 1090247887 /nfs/dbraw/zinc/24/78/87/1090247887.db2.gz UXLJMYMWOGLDPL-GOSISDBHSA-N 2 2 326.444 2.226 10 0 EEAELP CCc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001437702894 1090247893 /nfs/dbraw/zinc/24/78/93/1090247893.db2.gz UXLJMYMWOGLDPL-GOSISDBHSA-N 2 2 326.444 2.226 10 0 EEAELP C[C@@H]([NH2+]CCc1cccs1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001437859902 1090439955 /nfs/dbraw/zinc/43/99/55/1090439955.db2.gz XTDCWDRCCTZFQY-OAHLLOKOSA-N 2 2 346.500 2.404 10 0 EEAELP CCC[NH2+][C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001437866348 1090445846 /nfs/dbraw/zinc/44/58/46/1090445846.db2.gz LQTDUYQPECBVEQ-FUHWJXTLSA-N 2 2 326.444 2.303 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC001438095421 1090638974 /nfs/dbraw/zinc/63/89/74/1090638974.db2.gz HUBLKEZYJMOFPQ-UHFFFAOYSA-N 2 2 325.403 2.265 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC1C[NH+](Cc2ccc(C(F)F)cc2)C1 ZINC001438095421 1090638976 /nfs/dbraw/zinc/63/89/76/1090638976.db2.gz HUBLKEZYJMOFPQ-UHFFFAOYSA-N 2 2 325.403 2.265 10 0 EEAELP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(F)(F)F)[NH+](CC)CC ZINC001438175778 1090683607 /nfs/dbraw/zinc/68/36/07/1090683607.db2.gz YEQICRDAYPRUHT-IHRRRGAJSA-N 2 2 335.414 2.344 10 0 EEAELP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(F)(F)F)[NH+](CC)CC ZINC001438175778 1090683609 /nfs/dbraw/zinc/68/36/09/1090683609.db2.gz YEQICRDAYPRUHT-IHRRRGAJSA-N 2 2 335.414 2.344 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445397757 1091143781 /nfs/dbraw/zinc/14/37/81/1091143781.db2.gz MLKUQJCXFHDKEO-CRAIPNDOSA-N 2 2 340.471 2.302 10 0 EEAELP Cc1noc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001438694358 1091195905 /nfs/dbraw/zinc/19/59/05/1091195905.db2.gz OLXQMBVDMQXRAS-OLZOCXBDSA-N 2 2 333.436 2.076 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1F ZINC001445459838 1091227343 /nfs/dbraw/zinc/22/73/43/1091227343.db2.gz XMIXEYGEZNJQLP-UONOGXRCSA-N 2 2 332.423 2.330 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1F ZINC001445459838 1091227350 /nfs/dbraw/zinc/22/73/50/1091227350.db2.gz XMIXEYGEZNJQLP-UONOGXRCSA-N 2 2 332.423 2.330 10 0 EEAELP CCO[C@@H](C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001445563374 1091338462 /nfs/dbraw/zinc/33/84/62/1091338462.db2.gz ATQODOCRYIMXAF-SJCJKPOMSA-N 2 2 330.432 2.086 10 0 EEAELP Cc1nc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C(C)C)co1 ZINC001438834403 1091456492 /nfs/dbraw/zinc/45/64/92/1091456492.db2.gz LFLAHHSAYUCVJZ-MRXNPFEDSA-N 2 2 347.463 2.234 10 0 EEAELP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001438847087 1091485512 /nfs/dbraw/zinc/48/55/12/1091485512.db2.gz IHCFKLDOLNNSQO-INIZCTEOSA-N 2 2 336.386 2.092 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1csc(C)n1 ZINC001445732843 1091555673 /nfs/dbraw/zinc/55/56/73/1091555673.db2.gz KNAUFYRIOPWBEN-XJKSGUPXSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1csc(C)n1 ZINC001445732843 1091555679 /nfs/dbraw/zinc/55/56/79/1091555679.db2.gz KNAUFYRIOPWBEN-XJKSGUPXSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1csc(C)n1 ZINC001445732843 1091555684 /nfs/dbraw/zinc/55/56/84/1091555684.db2.gz KNAUFYRIOPWBEN-XJKSGUPXSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1csc(C)n1 ZINC001445732843 1091555691 /nfs/dbraw/zinc/55/56/91/1091555691.db2.gz KNAUFYRIOPWBEN-XJKSGUPXSA-N 2 2 338.521 2.262 10 0 EEAELP CC[C@@H](C(=O)N(C)CC[N@@H+](C)Cc1nc2ccccc2o1)[NH+](C)C ZINC001438911384 1091571171 /nfs/dbraw/zinc/57/11/71/1091571171.db2.gz TUBXYYSUNZYXHH-HNNXBMFYSA-N 2 2 332.448 2.058 10 0 EEAELP Cc1ncoc1C[N@@H+](C)CCN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001438940593 1091624712 /nfs/dbraw/zinc/62/47/12/1091624712.db2.gz OGOBBILBUQKKEI-UHFFFAOYSA-N 2 2 344.459 2.005 10 0 EEAELP Cc1ncoc1C[N@H+](C)CCN(C)C(=O)C[NH+](C)Cc1ccccc1 ZINC001438940593 1091624713 /nfs/dbraw/zinc/62/47/13/1091624713.db2.gz OGOBBILBUQKKEI-UHFFFAOYSA-N 2 2 344.459 2.005 10 0 EEAELP Cc1ncoc1C[NH+](C)CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001438940593 1091624714 /nfs/dbraw/zinc/62/47/14/1091624714.db2.gz OGOBBILBUQKKEI-UHFFFAOYSA-N 2 2 344.459 2.005 10 0 EEAELP Cc1ncoc1C[NH+](C)CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001438940593 1091624715 /nfs/dbraw/zinc/62/47/15/1091624715.db2.gz OGOBBILBUQKKEI-UHFFFAOYSA-N 2 2 344.459 2.005 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001445772016 1091631892 /nfs/dbraw/zinc/63/18/92/1091631892.db2.gz WUOJSMDXFVETLW-HOCLYGCPSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001445772016 1091631897 /nfs/dbraw/zinc/63/18/97/1091631897.db2.gz WUOJSMDXFVETLW-HOCLYGCPSA-N 2 2 332.492 2.318 10 0 EEAELP O=C(NCC1([NH2+]CC2CC3(CCC3)C2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001446214659 1092307412 /nfs/dbraw/zinc/30/74/12/1092307412.db2.gz KSEJALKOKUJUAQ-INIZCTEOSA-N 2 2 342.487 2.264 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1([NH2+]Cc2cnc(C)o2)CC1 ZINC001439608211 1092513126 /nfs/dbraw/zinc/51/31/26/1092513126.db2.gz QIKRLNOJVJMULI-CYBMUJFWSA-N 2 2 345.447 2.132 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001439657860 1092588619 /nfs/dbraw/zinc/58/86/19/1092588619.db2.gz OXGWPXYYOLLGFI-STQMWFEESA-N 2 2 340.418 2.262 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001439657860 1092588629 /nfs/dbraw/zinc/58/86/29/1092588629.db2.gz OXGWPXYYOLLGFI-STQMWFEESA-N 2 2 340.418 2.262 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001448436128 1093447805 /nfs/dbraw/zinc/44/78/05/1093447805.db2.gz QQMNORXBYCSXNJ-HHARLNAUSA-N 2 2 330.476 2.243 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001448436128 1093447808 /nfs/dbraw/zinc/44/78/08/1093447808.db2.gz QQMNORXBYCSXNJ-HHARLNAUSA-N 2 2 330.476 2.243 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001448436128 1093447814 /nfs/dbraw/zinc/44/78/14/1093447814.db2.gz QQMNORXBYCSXNJ-HHARLNAUSA-N 2 2 330.476 2.243 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001448436128 1093447815 /nfs/dbraw/zinc/44/78/15/1093447815.db2.gz QQMNORXBYCSXNJ-HHARLNAUSA-N 2 2 330.476 2.243 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001440396854 1093576433 /nfs/dbraw/zinc/57/64/33/1093576433.db2.gz XSPLAYVRNNFRMG-DLBZAZTESA-N 2 2 332.492 2.417 10 0 EEAELP CN(CCC[N@H+](C)C/C(Cl)=C/Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001440466884 1093690686 /nfs/dbraw/zinc/69/06/86/1093690686.db2.gz FIGPBYQXMIQIBW-RAXLEYEMSA-N 2 2 334.291 2.182 10 0 EEAELP CN(CCC[N@@H+](C)C/C(Cl)=C/Cl)C(=O)C12CC[NH+](CC1)C2 ZINC001440466884 1093690690 /nfs/dbraw/zinc/69/06/90/1093690690.db2.gz FIGPBYQXMIQIBW-RAXLEYEMSA-N 2 2 334.291 2.182 10 0 EEAELP C[C@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001440620608 1093889967 /nfs/dbraw/zinc/88/99/67/1093889967.db2.gz DWNODADJMRBLHT-GJZGRUSLSA-N 2 2 338.471 2.318 10 0 EEAELP C[C@H](F)CC[N@H+]1CC[C@H](NC(=O)CCc2[nH+]ccn2C)C(C)(C)C1 ZINC001440620608 1093889978 /nfs/dbraw/zinc/88/99/78/1093889978.db2.gz DWNODADJMRBLHT-GJZGRUSLSA-N 2 2 338.471 2.318 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH+]cn2C)s1 ZINC001440846684 1094104543 /nfs/dbraw/zinc/10/45/43/1094104543.db2.gz PTKYQCOFKBFPSX-NWDGAFQWSA-N 2 2 349.504 2.109 10 0 EEAELP CO[C@@H](C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C1CCC1 ZINC001449399589 1094379387 /nfs/dbraw/zinc/37/93/87/1094379387.db2.gz IBKHRLFFMCEAGV-GPANFISMSA-N 2 2 348.491 2.081 10 0 EEAELP CC(C)OCC[NH+]1CCC2(C[C@@H]2NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001441156486 1094499904 /nfs/dbraw/zinc/49/99/04/1094499904.db2.gz MTXDRUPNEFXKDK-SJORKVTESA-N 2 2 348.491 2.230 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001441486768 1095163326 /nfs/dbraw/zinc/16/33/26/1095163326.db2.gz LSALFMHSVVMWRZ-GASCZTMLSA-N 2 2 348.397 2.100 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001441486768 1095163337 /nfs/dbraw/zinc/16/33/37/1095163337.db2.gz LSALFMHSVVMWRZ-GASCZTMLSA-N 2 2 348.397 2.100 10 0 EEAELP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001441561035 1095310039 /nfs/dbraw/zinc/31/00/39/1095310039.db2.gz RLURYBWPMCUIPR-IAGOWNOFSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CN(C)C(=O)Cc1c[nH+]cn1C ZINC001441653950 1095613223 /nfs/dbraw/zinc/61/32/23/1095613223.db2.gz RJJHWZZEBKJKCZ-CYBMUJFWSA-N 2 2 347.463 2.019 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC001441870789 1095984529 /nfs/dbraw/zinc/98/45/29/1095984529.db2.gz JLQWAIPVLVLZLT-SJORKVTESA-N 2 2 340.471 2.357 10 0 EEAELP CO[C@@H](C)C[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001441929932 1096117506 /nfs/dbraw/zinc/11/75/06/1096117506.db2.gz QPXYYAPSHMWZNB-HOCLYGCPSA-N 2 2 344.459 2.118 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001442270698 1096576828 /nfs/dbraw/zinc/57/68/28/1096576828.db2.gz CTSZNJLMUWRRGV-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](C)Cc1cccnc1 ZINC001442409643 1096729296 /nfs/dbraw/zinc/72/92/96/1096729296.db2.gz HBVPSMZMNNQNBT-OAHLLOKOSA-N 2 2 329.448 2.040 10 0 EEAELP CCO[C@@H](C[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001442423737 1096748204 /nfs/dbraw/zinc/74/82/04/1096748204.db2.gz ALWFGBRJUGXUBG-KRWDZBQOSA-N 2 2 330.432 2.040 10 0 EEAELP CCO[C@@H](C[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001442423737 1096748208 /nfs/dbraw/zinc/74/82/08/1096748208.db2.gz ALWFGBRJUGXUBG-KRWDZBQOSA-N 2 2 330.432 2.040 10 0 EEAELP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1nc(C)oc1C ZINC001442756971 1097133025 /nfs/dbraw/zinc/13/30/25/1097133025.db2.gz QXBUBXUBOIFFRF-OKILXGFUSA-N 2 2 336.480 2.102 10 0 EEAELP CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1nc(C)oc1C ZINC001442756971 1097133030 /nfs/dbraw/zinc/13/30/30/1097133030.db2.gz QXBUBXUBOIFFRF-OKILXGFUSA-N 2 2 336.480 2.102 10 0 EEAELP CC[NH+](CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)Cc1nc(C)oc1C ZINC001442756971 1097133031 /nfs/dbraw/zinc/13/30/31/1097133031.db2.gz QXBUBXUBOIFFRF-OKILXGFUSA-N 2 2 336.480 2.102 10 0 EEAELP CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)Cc1nc(C)oc1C ZINC001442756971 1097133035 /nfs/dbraw/zinc/13/30/35/1097133035.db2.gz QXBUBXUBOIFFRF-OKILXGFUSA-N 2 2 336.480 2.102 10 0 EEAELP C[C@@H](c1cccc(F)c1)[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001443070804 1097481806 /nfs/dbraw/zinc/48/18/06/1097481806.db2.gz ZVXFLRDANOAYNL-AWEZNQCLSA-N 2 2 330.407 2.364 10 0 EEAELP C[N@H+](C/C=C/c1ccccc1)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001443330042 1097836219 /nfs/dbraw/zinc/83/62/19/1097836219.db2.gz DHHIUOSNMLYDHF-MTCRFPMVSA-N 2 2 338.455 2.377 10 0 EEAELP C[N@@H+](C/C=C/c1ccccc1)C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001443330042 1097836224 /nfs/dbraw/zinc/83/62/24/1097836224.db2.gz DHHIUOSNMLYDHF-MTCRFPMVSA-N 2 2 338.455 2.377 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001443809987 1098304399 /nfs/dbraw/zinc/30/43/99/1098304399.db2.gz GDTOVCIWOFKJAT-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001443809987 1098304403 /nfs/dbraw/zinc/30/44/03/1098304403.db2.gz GDTOVCIWOFKJAT-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001443809987 1098304409 /nfs/dbraw/zinc/30/44/09/1098304409.db2.gz GDTOVCIWOFKJAT-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001443809987 1098304414 /nfs/dbraw/zinc/30/44/14/1098304414.db2.gz GDTOVCIWOFKJAT-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)co1 ZINC001479523711 1098589980 /nfs/dbraw/zinc/58/99/80/1098589980.db2.gz NOEBORGHICANQN-SUMWQHHRSA-N 2 2 345.447 2.056 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C/C(Cl)=C\Cl ZINC001479845488 1099139564 /nfs/dbraw/zinc/13/95/64/1099139564.db2.gz KHQOBLIVQBVBOB-AOSXOHOOSA-N 2 2 336.307 2.474 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C/C(Cl)=C\Cl ZINC001479845488 1099139566 /nfs/dbraw/zinc/13/95/66/1099139566.db2.gz KHQOBLIVQBVBOB-AOSXOHOOSA-N 2 2 336.307 2.474 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C/C(Cl)=C\Cl ZINC001479845488 1099139578 /nfs/dbraw/zinc/13/95/78/1099139578.db2.gz KHQOBLIVQBVBOB-AOSXOHOOSA-N 2 2 336.307 2.474 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C/C(Cl)=C\Cl ZINC001479845488 1099139596 /nfs/dbraw/zinc/13/95/96/1099139596.db2.gz KHQOBLIVQBVBOB-AOSXOHOOSA-N 2 2 336.307 2.474 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001444635516 1099462935 /nfs/dbraw/zinc/46/29/35/1099462935.db2.gz KAOGQIAKXNRNQP-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001480111156 1099678153 /nfs/dbraw/zinc/67/81/53/1099678153.db2.gz FIOHINGZWPCLEV-SFHVURJKSA-N 2 2 344.434 2.305 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001480111156 1099678157 /nfs/dbraw/zinc/67/81/57/1099678157.db2.gz FIOHINGZWPCLEV-SFHVURJKSA-N 2 2 344.434 2.305 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)C)o1 ZINC001444903052 1099964174 /nfs/dbraw/zinc/96/41/74/1099964174.db2.gz ANYJRDLZXGHDGO-CZUORRHYSA-N 2 2 333.436 2.061 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001480300825 1100018040 /nfs/dbraw/zinc/01/80/40/1100018040.db2.gz QRCVUDWKYMLIGV-OAHLLOKOSA-N 2 2 346.500 2.095 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001480488990 1100298601 /nfs/dbraw/zinc/29/86/01/1100298601.db2.gz CSNILBVDWNCVTG-JSGCOSHPSA-N 2 2 348.397 2.018 10 0 EEAELP CC(C)C[C@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001496280534 1100861105 /nfs/dbraw/zinc/86/11/05/1100861105.db2.gz RRCBUENEXUCPOY-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001496375592 1100969108 /nfs/dbraw/zinc/96/91/08/1100969108.db2.gz NJYNBIYYPZQHPR-SJLPKXTDSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H](CC(=O)N[C@](C)(C[NH2+]CC1CCOCC1)C1CC1)n1cc[nH+]c1 ZINC001495279657 1100976900 /nfs/dbraw/zinc/97/69/00/1100976900.db2.gz CHVLPUMVJFJHGW-HNAYVOBHSA-N 2 2 348.491 2.135 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2c(F)cccc2F)C1 ZINC001446551930 1101021849 /nfs/dbraw/zinc/02/18/49/1101021849.db2.gz QAZNKKRTPALAHM-GOSISDBHSA-N 2 2 339.430 2.387 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2c(F)cccc2F)C1 ZINC001446551930 1101021857 /nfs/dbraw/zinc/02/18/57/1101021857.db2.gz QAZNKKRTPALAHM-GOSISDBHSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001446551930 1101021862 /nfs/dbraw/zinc/02/18/62/1101021862.db2.gz QAZNKKRTPALAHM-GOSISDBHSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001446551930 1101021869 /nfs/dbraw/zinc/02/18/69/1101021869.db2.gz QAZNKKRTPALAHM-GOSISDBHSA-N 2 2 339.430 2.387 10 0 EEAELP CC1CC(C[NH2+]CC[C@H]2CCCN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001495377586 1101095394 /nfs/dbraw/zinc/09/53/94/1101095394.db2.gz FELCLLKNBADXIK-AQFXKWCLSA-N 2 2 332.492 2.227 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CC1)C2 ZINC001446926174 1101606554 /nfs/dbraw/zinc/60/65/54/1101606554.db2.gz SBXMIOLGHNJPIZ-JZXOWHBKSA-N 2 2 330.476 2.122 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001446926174 1101606575 /nfs/dbraw/zinc/60/65/75/1101606575.db2.gz SBXMIOLGHNJPIZ-JZXOWHBKSA-N 2 2 330.476 2.122 10 0 EEAELP O=C(NCC1([NH2+]C[C@H]2CCOC2)CCCC1)c1cccc2[nH+]ccn21 ZINC001495929156 1101777771 /nfs/dbraw/zinc/77/77/71/1101777771.db2.gz INYHOQGDNLSBHI-OAHLLOKOSA-N 2 2 342.443 2.003 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCC2(C[NH+](C(C)C)C2)O1 ZINC001447387927 1102576371 /nfs/dbraw/zinc/57/63/71/1102576371.db2.gz OEJPWIHVVXYAIR-HOTGVXAUSA-N 2 2 348.491 2.155 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1COC2(C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001447402268 1102594421 /nfs/dbraw/zinc/59/44/21/1102594421.db2.gz AIFUOKPVKCBFRC-FUHWJXTLSA-N 2 2 345.487 2.047 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1COC2(C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001447402268 1102594430 /nfs/dbraw/zinc/59/44/30/1102594430.db2.gz AIFUOKPVKCBFRC-FUHWJXTLSA-N 2 2 345.487 2.047 10 0 EEAELP CC(C)CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001497589220 1102708358 /nfs/dbraw/zinc/70/83/58/1102708358.db2.gz ZKSXCHAESHXLFS-VGOKWCNXSA-N 2 2 333.480 2.098 10 0 EEAELP CC(C)CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001497589220 1102708373 /nfs/dbraw/zinc/70/83/73/1102708373.db2.gz ZKSXCHAESHXLFS-VGOKWCNXSA-N 2 2 333.480 2.098 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497617311 1102755481 /nfs/dbraw/zinc/75/54/81/1102755481.db2.gz UFLXGQMFLOFRHP-OGZRUICASA-N 2 2 334.464 2.044 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001497617311 1102755489 /nfs/dbraw/zinc/75/54/89/1102755489.db2.gz UFLXGQMFLOFRHP-OGZRUICASA-N 2 2 334.464 2.044 10 0 EEAELP Cc1nc(CC[NH2+]C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001497837647 1103169619 /nfs/dbraw/zinc/16/96/19/1103169619.db2.gz PWMOTGDFXOSABL-LLVKDONJSA-N 2 2 343.456 2.278 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497843525 1103182079 /nfs/dbraw/zinc/18/20/79/1103182079.db2.gz ROHDOIDNLWTSEJ-GDBMZVCRSA-N 2 2 348.491 2.267 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497843525 1103182083 /nfs/dbraw/zinc/18/20/83/1103182083.db2.gz ROHDOIDNLWTSEJ-GDBMZVCRSA-N 2 2 348.491 2.267 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001494087170 1103502849 /nfs/dbraw/zinc/50/28/49/1103502849.db2.gz WQAFCWPMPYUWNP-AWEZNQCLSA-N 2 2 346.397 2.444 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001494087170 1103502859 /nfs/dbraw/zinc/50/28/59/1103502859.db2.gz WQAFCWPMPYUWNP-AWEZNQCLSA-N 2 2 346.397 2.444 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1F ZINC001447923793 1103607733 /nfs/dbraw/zinc/60/77/33/1103607733.db2.gz RCGXYTQAEMYVLW-STQMWFEESA-N 2 2 332.423 2.125 10 0 EEAELP Cc1nc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC001448032400 1103841189 /nfs/dbraw/zinc/84/11/89/1103841189.db2.gz BGBQROWCJWLYSV-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)c(C)o1 ZINC001448032400 1103841204 /nfs/dbraw/zinc/84/12/04/1103841204.db2.gz BGBQROWCJWLYSV-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)c(C)o1 ZINC001448032400 1103841216 /nfs/dbraw/zinc/84/12/16/1103841216.db2.gz BGBQROWCJWLYSV-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)c(C)o1 ZINC001448032400 1103841232 /nfs/dbraw/zinc/84/12/32/1103841232.db2.gz BGBQROWCJWLYSV-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@H](C[NH2+]CCC(F)(F)F)C2)c[nH+]1 ZINC001480648763 1106817665 /nfs/dbraw/zinc/81/76/65/1106817665.db2.gz PFBSLCJEBKCCJE-ZDUSSCGKSA-N 2 2 346.397 2.317 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccns1 ZINC001498326495 1107299451 /nfs/dbraw/zinc/29/94/51/1107299451.db2.gz MGSLWARKCSKQPN-HOCLYGCPSA-N 2 2 338.521 2.200 10 0 EEAELP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccns1 ZINC001498326495 1107299457 /nfs/dbraw/zinc/29/94/57/1107299457.db2.gz MGSLWARKCSKQPN-HOCLYGCPSA-N 2 2 338.521 2.200 10 0 EEAELP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccns1 ZINC001498326495 1107299464 /nfs/dbraw/zinc/29/94/64/1107299464.db2.gz MGSLWARKCSKQPN-HOCLYGCPSA-N 2 2 338.521 2.200 10 0 EEAELP CC(C)C[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccns1 ZINC001498326495 1107299466 /nfs/dbraw/zinc/29/94/66/1107299466.db2.gz MGSLWARKCSKQPN-HOCLYGCPSA-N 2 2 338.521 2.200 10 0 EEAELP C[NH+](C)[C@H](C(=O)N1CC[NH2+][C@@H](Cc2ccccc2)C1)c1ccccc1 ZINC001454580498 1107410788 /nfs/dbraw/zinc/41/07/88/1107410788.db2.gz VOLYCHHKXGJYPB-PMACEKPBSA-N 2 2 337.467 2.332 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1cc(F)cc2F ZINC001493066653 1107430860 /nfs/dbraw/zinc/43/08/60/1107430860.db2.gz GSVGNPOROJUDSX-QGZVFWFLSA-N 2 2 348.397 2.287 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1cc(F)cc2F ZINC001493066653 1107430870 /nfs/dbraw/zinc/43/08/70/1107430870.db2.gz GSVGNPOROJUDSX-QGZVFWFLSA-N 2 2 348.397 2.287 10 0 EEAELP CC1CC(C[N@@H+]2CC[C@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001493208153 1107685084 /nfs/dbraw/zinc/68/50/84/1107685084.db2.gz WBYPFBZJMNXURY-AQFXKWCLSA-N 2 2 344.503 2.246 10 0 EEAELP CC1CC(C[N@H+]2CC[C@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)C2)C1 ZINC001493208153 1107685095 /nfs/dbraw/zinc/68/50/95/1107685095.db2.gz WBYPFBZJMNXURY-AQFXKWCLSA-N 2 2 344.503 2.246 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001493250996 1107772187 /nfs/dbraw/zinc/77/21/87/1107772187.db2.gz RRLVKZPNNCBVQK-OAHLLOKOSA-N 2 2 337.427 2.072 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001493250996 1107772203 /nfs/dbraw/zinc/77/22/03/1107772203.db2.gz RRLVKZPNNCBVQK-OAHLLOKOSA-N 2 2 337.427 2.072 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2CCc2ccccc2Cl)C1 ZINC001499066633 1108531259 /nfs/dbraw/zinc/53/12/59/1108531259.db2.gz MHTDMKBJQPZHBT-NVXWUHKLSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2CCc2ccccc2Cl)C1 ZINC001499066633 1108531262 /nfs/dbraw/zinc/53/12/62/1108531262.db2.gz MHTDMKBJQPZHBT-NVXWUHKLSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2CCc2ccccc2Cl)C1 ZINC001499066633 1108531269 /nfs/dbraw/zinc/53/12/69/1108531269.db2.gz MHTDMKBJQPZHBT-NVXWUHKLSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2CCc2ccccc2Cl)C1 ZINC001499066633 1108531274 /nfs/dbraw/zinc/53/12/74/1108531274.db2.gz MHTDMKBJQPZHBT-NVXWUHKLSA-N 2 2 349.906 2.415 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CCC(Nc3cccc[nH+]3)CC2)o1 ZINC001455894311 1108979239 /nfs/dbraw/zinc/97/92/39/1108979239.db2.gz HGOUWEZTEHJTEF-UHFFFAOYSA-N 2 2 328.416 2.453 10 0 EEAELP C[C@@H](c1cccc(NC(=O)CC[N@@H+]2CC[C@H](F)C2)c1)[NH+]1CCOCC1 ZINC001464998568 1110409148 /nfs/dbraw/zinc/40/91/48/1110409148.db2.gz YLGXOIAGXFCHSI-RDJZCZTQSA-N 2 2 349.450 2.452 10 0 EEAELP C[C@@H](c1cccc(NC(=O)CC[N@H+]2CC[C@H](F)C2)c1)[NH+]1CCOCC1 ZINC001464998568 1110409150 /nfs/dbraw/zinc/40/91/50/1110409150.db2.gz YLGXOIAGXFCHSI-RDJZCZTQSA-N 2 2 349.450 2.452 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001479337296 1110682711 /nfs/dbraw/zinc/68/27/11/1110682711.db2.gz IHJIMOPFYDNXDD-BETUJISGSA-N 2 2 346.397 2.180 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001479418615 1110694477 /nfs/dbraw/zinc/69/44/77/1110694477.db2.gz PQAGEMGECDKJEY-WGSAOQKQSA-N 2 2 340.471 2.309 10 0 EEAELP O=C(NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001499254252 1112202590 /nfs/dbraw/zinc/20/25/90/1112202590.db2.gz LHPGFVBZFXQWJY-HZPDHXFCSA-N 2 2 349.438 2.433 10 0 EEAELP O=C(NCC1([NH2+]Cc2ccc3cc[nH]c3c2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001499254252 1112202594 /nfs/dbraw/zinc/20/25/94/1112202594.db2.gz LHPGFVBZFXQWJY-HZPDHXFCSA-N 2 2 349.438 2.433 10 0 EEAELP CCOCC[NH2+]CC[C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001501569472 1113386192 /nfs/dbraw/zinc/38/61/92/1113386192.db2.gz YVRGACZAMLJXOG-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1csc(C2CC2)n1 ZINC001505663612 1114117311 /nfs/dbraw/zinc/11/73/11/1114117311.db2.gz GYYXYAMSFLIFFT-CHWSQXEVSA-N 2 2 347.488 2.290 10 0 EEAELP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001505819924 1114213190 /nfs/dbraw/zinc/21/31/90/1114213190.db2.gz CXYGNZCSEKGUNY-CABCVRRESA-N 2 2 338.471 2.268 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC=C(Cl)Cl ZINC001507091955 1115103935 /nfs/dbraw/zinc/10/39/35/1115103935.db2.gz LEXRNLWGWAHPCZ-NEPJUHHUSA-N 2 2 345.274 2.201 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001507325214 1115193650 /nfs/dbraw/zinc/19/36/50/1115193650.db2.gz OXCAOIIVVGHQEH-CVEARBPZSA-N 2 2 342.443 2.000 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC001508231164 1115455530 /nfs/dbraw/zinc/45/55/30/1115455530.db2.gz WOSCQHZIHMCBAX-HUUCEWRRSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC001508231164 1115455531 /nfs/dbraw/zinc/45/55/31/1115455531.db2.gz WOSCQHZIHMCBAX-HUUCEWRRSA-N 2 2 346.475 2.104 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567892276 1124160835 /nfs/dbraw/zinc/16/08/35/1124160835.db2.gz CMBPRXWIVCYCAG-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567892276 1124160837 /nfs/dbraw/zinc/16/08/37/1124160837.db2.gz CMBPRXWIVCYCAG-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CCc1ccccc1 ZINC001568178813 1124341472 /nfs/dbraw/zinc/34/14/72/1124341472.db2.gz IPFUNOTWRZYARA-AEFFLSMTSA-N 2 2 340.471 2.030 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1CC[NH2+]CC1CC(F)(F)C1 ZINC001568397327 1124467761 /nfs/dbraw/zinc/46/77/61/1124467761.db2.gz XUJLWOOERQHZCO-AWEZNQCLSA-N 2 2 340.418 2.358 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001568516010 1124579108 /nfs/dbraw/zinc/57/91/08/1124579108.db2.gz RZRTVDFVHRZVAS-NVXWUHKLSA-N 2 2 336.455 2.025 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCCCF)C1 ZINC001568516010 1124579114 /nfs/dbraw/zinc/57/91/14/1124579114.db2.gz RZRTVDFVHRZVAS-NVXWUHKLSA-N 2 2 336.455 2.025 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568644917 1124657518 /nfs/dbraw/zinc/65/75/18/1124657518.db2.gz XQWZZGUXJLYROL-DAXOMENPSA-N 2 2 330.407 2.337 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568644917 1124657520 /nfs/dbraw/zinc/65/75/20/1124657520.db2.gz XQWZZGUXJLYROL-DAXOMENPSA-N 2 2 330.407 2.337 10 0 EEAELP O=C(NC/C=C/C[NH2+]CCCC1CCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001568876354 1124902299 /nfs/dbraw/zinc/90/22/99/1124902299.db2.gz STXFTBLHIRCZMD-IMLGJKEDSA-N 2 2 330.476 2.288 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C\C[NH2+]Cc1ccccc1Cl ZINC001568890993 1124918147 /nfs/dbraw/zinc/91/81/47/1124918147.db2.gz PGEHKMNDWXKAAQ-PLNGDYQASA-N 2 2 346.862 2.468 10 0 EEAELP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001569065821 1125075958 /nfs/dbraw/zinc/07/59/58/1125075958.db2.gz XKZAKVBVQOJDHR-RDJZCZTQSA-N 2 2 330.476 2.430 10 0 EEAELP CCCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001569117857 1125108935 /nfs/dbraw/zinc/10/89/35/1125108935.db2.gz JUCQKDJTTFVGBH-RHSMWYFYSA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001569117857 1125108939 /nfs/dbraw/zinc/10/89/39/1125108939.db2.gz JUCQKDJTTFVGBH-RHSMWYFYSA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001569117857 1125108941 /nfs/dbraw/zinc/10/89/41/1125108941.db2.gz JUCQKDJTTFVGBH-RHSMWYFYSA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001569117857 1125108949 /nfs/dbraw/zinc/10/89/49/1125108949.db2.gz JUCQKDJTTFVGBH-RHSMWYFYSA-N 2 2 335.496 2.417 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCCCO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569214817 1125170712 /nfs/dbraw/zinc/17/07/12/1125170712.db2.gz SBTPIAODYMFSLA-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000181076510 529899006 /nfs/dbraw/zinc/89/90/06/529899006.db2.gz ZIAJHEORPIZGSF-QGZVFWFLSA-N 2 2 337.851 2.436 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000181076510 529899007 /nfs/dbraw/zinc/89/90/07/529899007.db2.gz ZIAJHEORPIZGSF-QGZVFWFLSA-N 2 2 337.851 2.436 10 0 EEAELP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000423577083 283009028 /nfs/dbraw/zinc/00/90/28/283009028.db2.gz RVFGBSQHUWFIPU-NOZJJQNGSA-N 2 2 329.213 2.154 10 0 EEAELP CCOC1CC(O)(C[NH2+][C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000423081591 240356520 /nfs/dbraw/zinc/35/65/20/240356520.db2.gz DEHYCSNIQYMCDL-IAFLDTSXSA-N 2 2 334.460 2.008 10 0 EEAELP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423103870 240368374 /nfs/dbraw/zinc/36/83/74/240368374.db2.gz LOTMCVCCHZNSON-MOPGFXCFSA-N 2 2 333.451 2.283 10 0 EEAELP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422739777 240201451 /nfs/dbraw/zinc/20/14/51/240201451.db2.gz LUROGLXAIOGSIC-AQNXPRMDSA-N 2 2 329.488 2.008 10 0 EEAELP FC(F)(F)Oc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422794473 240229933 /nfs/dbraw/zinc/22/99/33/240229933.db2.gz GTBFAXBBBHYXRH-GJZGRUSLSA-N 2 2 330.350 2.442 10 0 EEAELP c1sc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc1-c1ccncc1 ZINC000422913606 240288206 /nfs/dbraw/zinc/28/82/06/240288206.db2.gz QLIMYYVCQUQTQD-FUHWJXTLSA-N 2 2 344.484 2.104 10 0 EEAELP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422916052 240288378 /nfs/dbraw/zinc/28/83/78/240288378.db2.gz ZQOXAMKTYHDVIN-PMACEKPBSA-N 3 2 331.504 2.383 10 0 EEAELP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422916052 240288380 /nfs/dbraw/zinc/28/83/80/240288380.db2.gz ZQOXAMKTYHDVIN-PMACEKPBSA-N 3 2 331.504 2.383 10 0 EEAELP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422916055 240290577 /nfs/dbraw/zinc/29/05/77/240290577.db2.gz ZQOXAMKTYHDVIN-WOJBJXKFSA-N 3 2 331.504 2.383 10 0 EEAELP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422916055 240290583 /nfs/dbraw/zinc/29/05/83/240290583.db2.gz ZQOXAMKTYHDVIN-WOJBJXKFSA-N 3 2 331.504 2.383 10 0 EEAELP C[C@@H]([NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1)c1c[nH+]ccc1N ZINC000422996744 240324811 /nfs/dbraw/zinc/32/48/11/240324811.db2.gz UGMBAFAGHKMUFH-MNOVXSKESA-N 2 2 332.354 2.228 10 0 EEAELP Cc1[nH+]ccn1CC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425045722 241109136 /nfs/dbraw/zinc/10/91/36/241109136.db2.gz SWHVEGPYIFVIFY-UHFFFAOYSA-N 2 2 333.461 2.443 10 0 EEAELP Cc1[nH+]ccn1CC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425045722 241109144 /nfs/dbraw/zinc/10/91/44/241109144.db2.gz SWHVEGPYIFVIFY-UHFFFAOYSA-N 2 2 333.461 2.443 10 0 EEAELP CC[N@H+](CCNC(=O)c1c[nH+]ccc1N(C)C)CCC(F)(F)F ZINC000427258918 241399585 /nfs/dbraw/zinc/39/95/85/241399585.db2.gz UUSQNSFOZCRYPP-UHFFFAOYSA-N 2 2 332.370 2.152 10 0 EEAELP CC[N@@H+](CCNC(=O)c1c[nH+]ccc1N(C)C)CCC(F)(F)F ZINC000427258918 241399591 /nfs/dbraw/zinc/39/95/91/241399591.db2.gz UUSQNSFOZCRYPP-UHFFFAOYSA-N 2 2 332.370 2.152 10 0 EEAELP c1[nH+]cn(Cc2ccccc2)c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000445816883 242134149 /nfs/dbraw/zinc/13/41/49/242134149.db2.gz YQUZCYDZKWEQLU-IBGZPJMESA-N 2 2 340.471 2.086 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000081094785 217360722 /nfs/dbraw/zinc/36/07/22/217360722.db2.gz VCNVRNKMWJKPPL-PBHICJAKSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000081094785 217360723 /nfs/dbraw/zinc/36/07/23/217360723.db2.gz VCNVRNKMWJKPPL-PBHICJAKSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000081094785 217360727 /nfs/dbraw/zinc/36/07/27/217360727.db2.gz VCNVRNKMWJKPPL-PBHICJAKSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000081094785 217360730 /nfs/dbraw/zinc/36/07/30/217360730.db2.gz VCNVRNKMWJKPPL-PBHICJAKSA-N 2 2 349.475 2.304 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(OC)c1 ZINC000093146552 218198124 /nfs/dbraw/zinc/19/81/24/218198124.db2.gz JYXYMISSAWXSOY-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(OC)c1 ZINC000093146552 218198126 /nfs/dbraw/zinc/19/81/26/218198126.db2.gz JYXYMISSAWXSOY-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP Cc1cc(CC(C)C)nc(N2CC[C@H]([N@@H+]3CCc4[nH+]c[nH]c4C3)C2)n1 ZINC000095362469 218295743 /nfs/dbraw/zinc/29/57/43/218295743.db2.gz XODSBRQCZFMTNE-INIZCTEOSA-N 2 2 340.475 2.344 10 0 EEAELP Cc1cc(CC(C)C)nc(N2CC[C@H]([N@H+]3CCc4[nH+]c[nH]c4C3)C2)n1 ZINC000095362469 218295745 /nfs/dbraw/zinc/29/57/45/218295745.db2.gz XODSBRQCZFMTNE-INIZCTEOSA-N 2 2 340.475 2.344 10 0 EEAELP COCC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268829463 252278236 /nfs/dbraw/zinc/27/82/36/252278236.db2.gz QIXOVZWRJSQUHU-ICSRJNTNSA-N 3 2 333.520 2.455 10 0 EEAELP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268829463 252278238 /nfs/dbraw/zinc/27/82/38/252278238.db2.gz QIXOVZWRJSQUHU-ICSRJNTNSA-N 3 2 333.520 2.455 10 0 EEAELP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268829463 252278242 /nfs/dbraw/zinc/27/82/42/252278242.db2.gz QIXOVZWRJSQUHU-ICSRJNTNSA-N 3 2 333.520 2.455 10 0 EEAELP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268829463 252278245 /nfs/dbraw/zinc/27/82/45/252278245.db2.gz QIXOVZWRJSQUHU-ICSRJNTNSA-N 3 2 333.520 2.455 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000112745436 220396059 /nfs/dbraw/zinc/39/60/59/220396059.db2.gz YMLSBGNEKHWDNB-CQSZACIVSA-N 2 2 333.480 2.096 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCc3c([nH+]c(C(C)C)n3C)C2)C1 ZINC000112745436 220396063 /nfs/dbraw/zinc/39/60/63/220396063.db2.gz YMLSBGNEKHWDNB-CQSZACIVSA-N 2 2 333.480 2.096 10 0 EEAELP Cc1[nH+]ccn1CC[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000270678477 256159625 /nfs/dbraw/zinc/15/96/25/256159625.db2.gz TVMBYASXIPGFGX-UHFFFAOYSA-N 2 2 326.444 2.394 10 0 EEAELP c1ccc(C2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CCOCC2)cc1 ZINC000422850950 285472027 /nfs/dbraw/zinc/47/20/27/285472027.db2.gz WJNGCGMRXJRZGN-RTBURBONSA-N 2 2 330.472 2.091 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000074102578 292174060 /nfs/dbraw/zinc/17/40/60/292174060.db2.gz JLWJFVQHEYKVDE-INIZCTEOSA-N 2 2 335.496 2.459 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1n1cc[nH+]c1 ZINC000248998435 160370015 /nfs/dbraw/zinc/37/00/15/160370015.db2.gz MOQYVVIHNGFPAR-CXAGYDPISA-N 2 2 326.404 2.355 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C[C@H]1n1cc[nH+]c1 ZINC000248998435 160370017 /nfs/dbraw/zinc/37/00/17/160370017.db2.gz MOQYVVIHNGFPAR-CXAGYDPISA-N 2 2 326.404 2.355 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000073570728 159054473 /nfs/dbraw/zinc/05/44/73/159054473.db2.gz HKFHPVZUHUKIKU-UHFFFAOYSA-N 2 2 343.475 2.298 10 0 EEAELP C[C@H](CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[N@H+](C)C1CC1 ZINC000105104169 159295939 /nfs/dbraw/zinc/29/59/39/159295939.db2.gz UDMXACCGQNJMCW-LLVKDONJSA-N 2 2 335.839 2.270 10 0 EEAELP C[C@H](CNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[N@@H+](C)C1CC1 ZINC000105104169 159295940 /nfs/dbraw/zinc/29/59/40/159295940.db2.gz UDMXACCGQNJMCW-LLVKDONJSA-N 2 2 335.839 2.270 10 0 EEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2 ZINC000106454640 159316048 /nfs/dbraw/zinc/31/60/48/159316048.db2.gz SYIJVCQHOKIRSQ-OAHLLOKOSA-N 2 2 344.484 2.242 10 0 EEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2 ZINC000106454640 159316049 /nfs/dbraw/zinc/31/60/49/159316049.db2.gz SYIJVCQHOKIRSQ-OAHLLOKOSA-N 2 2 344.484 2.242 10 0 EEAELP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1cccs1 ZINC000246869612 160299040 /nfs/dbraw/zinc/29/90/40/160299040.db2.gz PZHISBMNWDSFNS-YOEHRIQHSA-N 2 2 333.501 2.313 10 0 EEAELP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1cccs1 ZINC000246869612 160299041 /nfs/dbraw/zinc/29/90/41/160299041.db2.gz PZHISBMNWDSFNS-YOEHRIQHSA-N 2 2 333.501 2.313 10 0 EEAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1cccs1 ZINC000246869612 160299043 /nfs/dbraw/zinc/29/90/43/160299043.db2.gz PZHISBMNWDSFNS-YOEHRIQHSA-N 2 2 333.501 2.313 10 0 EEAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1cccs1 ZINC000246869612 160299045 /nfs/dbraw/zinc/29/90/45/160299045.db2.gz PZHISBMNWDSFNS-YOEHRIQHSA-N 2 2 333.501 2.313 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1CC ZINC000246987821 160304441 /nfs/dbraw/zinc/30/44/41/160304441.db2.gz LGFDZARTQWVXRV-MOPGFXCFSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1CC ZINC000246987821 160304442 /nfs/dbraw/zinc/30/44/42/160304442.db2.gz LGFDZARTQWVXRV-MOPGFXCFSA-N 2 2 347.503 2.249 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247972747 160335428 /nfs/dbraw/zinc/33/54/28/160335428.db2.gz HMPVDTPQEYYWRQ-SJLPKXTDSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247972747 160335430 /nfs/dbraw/zinc/33/54/30/160335430.db2.gz HMPVDTPQEYYWRQ-SJLPKXTDSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247972747 160335432 /nfs/dbraw/zinc/33/54/32/160335432.db2.gz HMPVDTPQEYYWRQ-SJLPKXTDSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247972747 160335434 /nfs/dbraw/zinc/33/54/34/160335434.db2.gz HMPVDTPQEYYWRQ-SJLPKXTDSA-N 2 2 345.487 2.070 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)[C@H]1c1ccccc1 ZINC000248061082 160337145 /nfs/dbraw/zinc/33/71/45/160337145.db2.gz PEXVARDWQNILLW-FXAWDEMLSA-N 2 2 334.423 2.438 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)Cc2cn3ccccc3[nH+]2)[C@H]1c1ccccc1 ZINC000248061082 160337146 /nfs/dbraw/zinc/33/71/46/160337146.db2.gz PEXVARDWQNILLW-FXAWDEMLSA-N 2 2 334.423 2.438 10 0 EEAELP C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900451 161022769 /nfs/dbraw/zinc/02/27/69/161022769.db2.gz IXTANURZNDUJAH-UYAOXDASSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@]1(C(N)=O)CCCC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900451 161022770 /nfs/dbraw/zinc/02/27/70/161022770.db2.gz IXTANURZNDUJAH-UYAOXDASSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@]1(C(N)=O)CCCC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341900451 161022771 /nfs/dbraw/zinc/02/27/71/161022771.db2.gz IXTANURZNDUJAH-UYAOXDASSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@]1(C(N)=O)CCCC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341900451 161022772 /nfs/dbraw/zinc/02/27/72/161022772.db2.gz IXTANURZNDUJAH-UYAOXDASSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927620 161181159 /nfs/dbraw/zinc/18/11/59/161181159.db2.gz SJJSIEOHMYAITI-OWCLPIDISA-N 2 2 349.523 2.386 10 0 EEAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927620 161181160 /nfs/dbraw/zinc/18/11/60/161181160.db2.gz SJJSIEOHMYAITI-OWCLPIDISA-N 2 2 349.523 2.386 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000368105492 166051550 /nfs/dbraw/zinc/05/15/50/166051550.db2.gz SSKWOIOSJNNUNA-CMPLNLGQSA-N 2 2 337.420 2.160 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000368105492 166051553 /nfs/dbraw/zinc/05/15/53/166051553.db2.gz SSKWOIOSJNNUNA-CMPLNLGQSA-N 2 2 337.420 2.160 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N1CC[NH+](CC3CC3)CC1)C2 ZINC000364570424 165191182 /nfs/dbraw/zinc/19/11/82/165191182.db2.gz PFIARJHMHFYMST-OAHLLOKOSA-N 2 2 330.476 2.192 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N1CC[NH+](CC3CC3)CC1)CC2 ZINC000364570424 165191185 /nfs/dbraw/zinc/19/11/85/165191185.db2.gz PFIARJHMHFYMST-OAHLLOKOSA-N 2 2 330.476 2.192 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376651337 167367879 /nfs/dbraw/zinc/36/78/79/167367879.db2.gz DZBCNLPADAYNAB-HOTGVXAUSA-N 2 2 333.480 2.307 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123383230 222268272 /nfs/dbraw/zinc/26/82/72/222268272.db2.gz ZTLSMMCNHISFOF-NVXWUHKLSA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123383230 222268273 /nfs/dbraw/zinc/26/82/73/222268273.db2.gz ZTLSMMCNHISFOF-NVXWUHKLSA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123383230 222268275 /nfs/dbraw/zinc/26/82/75/222268275.db2.gz ZTLSMMCNHISFOF-NVXWUHKLSA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123383230 222268276 /nfs/dbraw/zinc/26/82/76/222268276.db2.gz ZTLSMMCNHISFOF-NVXWUHKLSA-N 2 2 333.476 2.116 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123726599 222324111 /nfs/dbraw/zinc/32/41/11/222324111.db2.gz SMAIYWAMHPMYGX-PMPSAXMXSA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123726599 222324114 /nfs/dbraw/zinc/32/41/14/222324114.db2.gz SMAIYWAMHPMYGX-PMPSAXMXSA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123726599 222324117 /nfs/dbraw/zinc/32/41/17/222324117.db2.gz SMAIYWAMHPMYGX-PMPSAXMXSA-N 2 2 333.476 2.287 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123726599 222324122 /nfs/dbraw/zinc/32/41/22/222324122.db2.gz SMAIYWAMHPMYGX-PMPSAXMXSA-N 2 2 333.476 2.287 10 0 EEAELP Cn1ncc2c1nc(NC1CC[NH+](CC3CCCC3)CC1)[nH+]c2N ZINC000278487365 269233001 /nfs/dbraw/zinc/23/30/01/269233001.db2.gz VYZXEHNXLFYBHC-UHFFFAOYSA-N 2 2 329.452 2.012 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188978863 274035366 /nfs/dbraw/zinc/03/53/66/274035366.db2.gz QFFNZOHPXUHFQO-HPEDKQMDSA-N 2 2 343.805 2.041 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188978863 274035367 /nfs/dbraw/zinc/03/53/67/274035367.db2.gz QFFNZOHPXUHFQO-HPEDKQMDSA-N 2 2 343.805 2.041 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292060648 275369731 /nfs/dbraw/zinc/36/97/31/275369731.db2.gz CLVBIIBVHKIUQQ-OXFYSEKESA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292060648 275369733 /nfs/dbraw/zinc/36/97/33/275369733.db2.gz CLVBIIBVHKIUQQ-OXFYSEKESA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292060648 275369734 /nfs/dbraw/zinc/36/97/34/275369734.db2.gz CLVBIIBVHKIUQQ-OXFYSEKESA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292060648 275369736 /nfs/dbraw/zinc/36/97/36/275369736.db2.gz CLVBIIBVHKIUQQ-OXFYSEKESA-N 2 2 343.471 2.043 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106670 275377060 /nfs/dbraw/zinc/37/70/60/275377060.db2.gz IMTAEZUNSYAEIS-WMZOPIPTSA-N 2 2 333.863 2.473 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106670 275377062 /nfs/dbraw/zinc/37/70/62/275377062.db2.gz IMTAEZUNSYAEIS-WMZOPIPTSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106670 275377063 /nfs/dbraw/zinc/37/70/63/275377063.db2.gz IMTAEZUNSYAEIS-WMZOPIPTSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106670 275377065 /nfs/dbraw/zinc/37/70/65/275377065.db2.gz IMTAEZUNSYAEIS-WMZOPIPTSA-N 2 2 333.863 2.473 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292147920 275384504 /nfs/dbraw/zinc/38/45/04/275384504.db2.gz NESGUNSSVFAPSL-UWVAXJGDSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292147920 275384505 /nfs/dbraw/zinc/38/45/05/275384505.db2.gz NESGUNSSVFAPSL-UWVAXJGDSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292147920 275384506 /nfs/dbraw/zinc/38/45/06/275384506.db2.gz NESGUNSSVFAPSL-UWVAXJGDSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292147920 275384507 /nfs/dbraw/zinc/38/45/07/275384507.db2.gz NESGUNSSVFAPSL-UWVAXJGDSA-N 2 2 329.488 2.322 10 0 EEAELP CC1(C)NC(=O)CC[C@H]1[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000494947652 278405477 /nfs/dbraw/zinc/40/54/77/278405477.db2.gz ANGWRZVDFXYIHF-JXQTWKCFSA-N 2 2 347.425 2.439 10 0 EEAELP Fc1cc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1Cl ZINC000423152504 279459640 /nfs/dbraw/zinc/45/96/40/279459640.db2.gz LQDJBPPOURTPAK-CVEARBPZSA-N 2 2 328.815 2.215 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479619 289296620 /nfs/dbraw/zinc/29/66/20/289296620.db2.gz FGEINTOZMJTLOG-HUUCEWRRSA-N 2 2 333.501 2.397 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114479619 289296623 /nfs/dbraw/zinc/29/66/23/289296623.db2.gz FGEINTOZMJTLOG-HUUCEWRRSA-N 2 2 333.501 2.397 10 0 EEAELP Cc1ccc2[nH+]ccc(N3CC[NH+](CC(=O)N4CCCC4)CC3)c2c1 ZINC000302149855 294934646 /nfs/dbraw/zinc/93/46/46/294934646.db2.gz JUOKMJICQIOPDM-UHFFFAOYSA-N 2 2 338.455 2.288 10 0 EEAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2nc(C3CC3)[nH+]c3c2CCC3)CC1 ZINC000328859419 311626814 /nfs/dbraw/zinc/62/68/14/311626814.db2.gz VBFCRDJMVGJUBB-CQSZACIVSA-N 2 2 344.503 2.372 10 0 EEAELP Cc1ccn2c(C[NH2+][C@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cnc2c1 ZINC000333019308 312079824 /nfs/dbraw/zinc/07/98/24/312079824.db2.gz HZXZAPSWEJXLJE-WMLDXEAASA-N 2 2 325.416 2.386 10 0 EEAELP c1cn(-c2csc(CN3CC[NH+](C4CCOCC4)CC3)c2)c[nH+]1 ZINC000346184768 312272113 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OWPFZRVKMHBQOO-MRXNPFEDSA-N 2 2 348.516 2.333 10 0 EEAELP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000566443228 319287844 /nfs/dbraw/zinc/28/78/44/319287844.db2.gz OWPFZRVKMHBQOO-MRXNPFEDSA-N 2 2 348.516 2.333 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[C@@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000579887903 323948458 /nfs/dbraw/zinc/94/84/58/323948458.db2.gz AVCPSEZEHWQEDI-GOSISDBHSA-N 2 2 332.492 2.224 10 0 EEAELP CN(CCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000580186338 324011172 /nfs/dbraw/zinc/01/11/72/324011172.db2.gz QHGNOGXHTBRPKK-UHFFFAOYSA-N 2 2 327.476 2.064 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000358283672 465037312 /nfs/dbraw/zinc/03/73/12/465037312.db2.gz GMZPGQQVUNFSHP-QAPCUYQASA-N 2 2 336.911 2.002 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000358283672 465037318 /nfs/dbraw/zinc/03/73/18/465037318.db2.gz GMZPGQQVUNFSHP-QAPCUYQASA-N 2 2 336.911 2.002 10 0 EEAELP Cc1ccc2[nH+]ccc(NCC(C)(C)[NH+]3CCS(=O)CC3)c2c1 ZINC000354601672 465048459 /nfs/dbraw/zinc/04/84/59/465048459.db2.gz LKBIKOWJHPKGKP-UHFFFAOYSA-N 2 2 331.485 2.220 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339285120 465188438 /nfs/dbraw/zinc/18/84/38/465188438.db2.gz SUEKQPBRBWAASL-MLHJIOFPSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000339285120 465188442 /nfs/dbraw/zinc/18/84/42/465188442.db2.gz SUEKQPBRBWAASL-MLHJIOFPSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000339285120 465188449 /nfs/dbraw/zinc/18/84/49/465188449.db2.gz SUEKQPBRBWAASL-MLHJIOFPSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000339285120 465188458 /nfs/dbraw/zinc/18/84/58/465188458.db2.gz SUEKQPBRBWAASL-MLHJIOFPSA-N 2 2 339.524 2.065 10 0 EEAELP C[NH+]1CCC(CNC(=O)Cc2ccc(F)cc2)([NH+]2CCCCC2)CC1 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VMHJSLDYSJLCOD-VQIMIIECSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(OC)cc2)[C@H](C)C1 ZINC000079461052 463217366 /nfs/dbraw/zinc/21/73/66/463217366.db2.gz VMHJSLDYSJLCOD-VQIMIIECSA-N 2 2 347.503 2.316 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000124383483 463416652 /nfs/dbraw/zinc/41/66/52/463416652.db2.gz ULZIMXPQWDPXON-UHFFFAOYSA-N 2 2 343.456 2.192 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000124383483 463416657 /nfs/dbraw/zinc/41/66/57/463416657.db2.gz ULZIMXPQWDPXON-UHFFFAOYSA-N 2 2 343.456 2.192 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000056896143 463432911 /nfs/dbraw/zinc/43/29/11/463432911.db2.gz XQGGZDPCEZTVHU-INIZCTEOSA-N 2 2 327.432 2.156 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000056896143 463432915 /nfs/dbraw/zinc/43/29/15/463432915.db2.gz XQGGZDPCEZTVHU-INIZCTEOSA-N 2 2 327.432 2.156 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000105897168 463492456 /nfs/dbraw/zinc/49/24/56/463492456.db2.gz IBVYLHJSBXNGKO-RDJZCZTQSA-N 2 2 330.407 2.448 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C1 ZINC000105897168 463492461 /nfs/dbraw/zinc/49/24/61/463492461.db2.gz IBVYLHJSBXNGKO-RDJZCZTQSA-N 2 2 330.407 2.448 10 0 EEAELP CN(CC[NH+]1CCOCC1)C(=O)c1cccc(Nc2cc[nH+]cc2)c1 ZINC000072289398 463500470 /nfs/dbraw/zinc/50/04/70/463500470.db2.gz DOOAMCATNMZWCO-UHFFFAOYSA-N 2 2 340.427 2.229 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000151329808 463514468 /nfs/dbraw/zinc/51/44/68/463514468.db2.gz QKAJEHOUTHCQCJ-QFBILLFUSA-N 2 2 345.487 2.311 10 0 EEAELP CCc1noc([C@H](C)N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000162997336 463555443 /nfs/dbraw/zinc/55/54/43/463555443.db2.gz NIUXOXRUKDBOHY-HNNXBMFYSA-N 2 2 346.479 2.296 10 0 EEAELP Cc1[nH+]cc(C[NH2+]Cc2cccnc2-n2cncn2)n1-c1ccccc1 ZINC000084014894 463573697 /nfs/dbraw/zinc/57/36/97/463573697.db2.gz JYKCEVODIVRIBI-UHFFFAOYSA-N 2 2 345.410 2.446 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163445293 463589493 /nfs/dbraw/zinc/58/94/93/463589493.db2.gz PYQULNQZUDCILY-QAPCUYQASA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163445293 463589497 /nfs/dbraw/zinc/58/94/97/463589497.db2.gz PYQULNQZUDCILY-QAPCUYQASA-N 2 2 329.448 2.029 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000184949247 463723998 /nfs/dbraw/zinc/72/39/98/463723998.db2.gz CIXUAZATOLZDKX-OTWHNJEPSA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000184949247 463724001 /nfs/dbraw/zinc/72/40/01/463724001.db2.gz CIXUAZATOLZDKX-OTWHNJEPSA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000193816793 463744869 /nfs/dbraw/zinc/74/48/69/463744869.db2.gz MGCACWUMRWHCFD-QUCCMNQESA-N 2 2 332.488 2.468 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000195084210 463988709 /nfs/dbraw/zinc/98/87/09/463988709.db2.gz CRGDEAWDFOZKNO-HNNXBMFYSA-N 2 2 326.444 2.295 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000195084210 463988712 /nfs/dbraw/zinc/98/87/12/463988712.db2.gz CRGDEAWDFOZKNO-HNNXBMFYSA-N 2 2 326.444 2.295 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000283846561 464030220 /nfs/dbraw/zinc/03/02/20/464030220.db2.gz HLLHZQOCPZVMGD-UHFFFAOYSA-N 2 2 328.460 2.008 10 0 EEAELP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285134 464031230 /nfs/dbraw/zinc/03/12/30/464031230.db2.gz ULKQHXXLKCHKGD-SJLPKXTDSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195285134 464031234 /nfs/dbraw/zinc/03/12/34/464031234.db2.gz ULKQHXXLKCHKGD-SJLPKXTDSA-N 2 2 332.492 2.092 10 0 EEAELP CCN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195285134 464031239 /nfs/dbraw/zinc/03/12/39/464031239.db2.gz ULKQHXXLKCHKGD-SJLPKXTDSA-N 2 2 332.492 2.092 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279103442 464039440 /nfs/dbraw/zinc/03/94/40/464039440.db2.gz AYVSQDOMOIIVPY-PBHICJAKSA-N 2 2 334.370 2.182 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000279103442 464039445 /nfs/dbraw/zinc/03/94/45/464039445.db2.gz AYVSQDOMOIIVPY-PBHICJAKSA-N 2 2 334.370 2.182 10 0 EEAELP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)on1 ZINC000222198738 464127628 /nfs/dbraw/zinc/12/76/28/464127628.db2.gz ZKWSDPNFFIIGCI-KGLIPLIRSA-N 2 2 329.404 2.139 10 0 EEAELP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)on1 ZINC000222198738 464127632 /nfs/dbraw/zinc/12/76/32/464127632.db2.gz ZKWSDPNFFIIGCI-KGLIPLIRSA-N 2 2 329.404 2.139 10 0 EEAELP CS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000280991607 464290852 /nfs/dbraw/zinc/29/08/52/464290852.db2.gz MTQGYNVUHUNGQB-NNZMDNLPSA-N 2 2 348.512 2.349 10 0 EEAELP CS(=O)(=O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000280991607 464290857 /nfs/dbraw/zinc/29/08/57/464290857.db2.gz MTQGYNVUHUNGQB-NNZMDNLPSA-N 2 2 348.512 2.349 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)NC2C3CC4CC(C3)CC2C4)CC1 ZINC000175545142 464571262 /nfs/dbraw/zinc/57/12/62/464571262.db2.gz XIEHOXHPKVPLII-UHFFFAOYSA-N 2 2 348.535 2.136 10 0 EEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000247396776 464674793 /nfs/dbraw/zinc/67/47/93/464674793.db2.gz PBSHGXFOTWWXHL-WBVHZDCISA-N 2 2 343.475 2.060 10 0 EEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000247396776 464674799 /nfs/dbraw/zinc/67/47/99/464674799.db2.gz PBSHGXFOTWWXHL-WBVHZDCISA-N 2 2 343.475 2.060 10 0 EEAELP COc1ccnc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1OC ZINC000190592493 464683918 /nfs/dbraw/zinc/68/39/18/464683918.db2.gz UYRONEVDVDAWOW-CQSZACIVSA-N 2 2 328.416 2.428 10 0 EEAELP COc1ccnc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1OC ZINC000190592493 464683921 /nfs/dbraw/zinc/68/39/21/464683921.db2.gz UYRONEVDVDAWOW-CQSZACIVSA-N 2 2 328.416 2.428 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266782969 464820313 /nfs/dbraw/zinc/82/03/13/464820313.db2.gz VOCWSLIFIAEXGY-UHFFFAOYSA-N 2 2 342.443 2.256 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1N1CCOCC1 ZINC000177217116 464960668 /nfs/dbraw/zinc/96/06/68/464960668.db2.gz LCDOAVATWCTLMS-LPHOPBHVSA-N 2 2 326.444 2.025 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1N1CCOCC1 ZINC000177217116 464960674 /nfs/dbraw/zinc/96/06/74/464960674.db2.gz LCDOAVATWCTLMS-LPHOPBHVSA-N 2 2 326.444 2.025 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000597054851 468429582 /nfs/dbraw/zinc/42/95/82/468429582.db2.gz VIIGVNSUWIXCCE-CQSZACIVSA-N 2 2 340.851 2.327 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000597054851 468429588 /nfs/dbraw/zinc/42/95/88/468429588.db2.gz VIIGVNSUWIXCCE-CQSZACIVSA-N 2 2 340.851 2.327 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](F)(c3ccccc3C)C2)CC1 ZINC000337423777 465360195 /nfs/dbraw/zinc/36/01/95/465360195.db2.gz VUJJJIUXYHJFJE-XLIONFOSSA-N 2 2 347.478 2.418 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](F)(c3ccccc3C)C2)CC1 ZINC000337423777 465360201 /nfs/dbraw/zinc/36/02/01/465360201.db2.gz VUJJJIUXYHJFJE-XLIONFOSSA-N 2 2 347.478 2.418 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000351897289 465426585 /nfs/dbraw/zinc/42/65/85/465426585.db2.gz KVADKOKQEYNUNG-CVEARBPZSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000351897289 465426591 /nfs/dbraw/zinc/42/65/91/465426591.db2.gz KVADKOKQEYNUNG-CVEARBPZSA-N 2 2 333.451 2.421 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000353159424 465682885 /nfs/dbraw/zinc/68/28/85/465682885.db2.gz RYYXCBNFLLTOID-GFCCVEGCSA-N 2 2 332.370 2.326 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000353159424 465682892 /nfs/dbraw/zinc/68/28/92/465682892.db2.gz RYYXCBNFLLTOID-GFCCVEGCSA-N 2 2 332.370 2.326 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000366534766 465787870 /nfs/dbraw/zinc/78/78/70/465787870.db2.gz LVSVGTXNGZNVID-AUUYWEPGSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000366534766 465787875 /nfs/dbraw/zinc/78/78/75/465787875.db2.gz LVSVGTXNGZNVID-AUUYWEPGSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000366534766 465787881 /nfs/dbraw/zinc/78/78/81/465787881.db2.gz LVSVGTXNGZNVID-AUUYWEPGSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000366534766 465787886 /nfs/dbraw/zinc/78/78/86/465787886.db2.gz LVSVGTXNGZNVID-AUUYWEPGSA-N 2 2 347.459 2.058 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362517371 465799021 /nfs/dbraw/zinc/79/90/21/465799021.db2.gz ZCTACAYLJBPDAT-AWEZNQCLSA-N 2 2 329.448 2.311 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362517371 465799027 /nfs/dbraw/zinc/79/90/27/465799027.db2.gz ZCTACAYLJBPDAT-AWEZNQCLSA-N 2 2 329.448 2.311 10 0 EEAELP CN(C)c1ccc(CNC(=O)NCC[N@H+](C)C2CCCCC2)c[nH+]1 ZINC000338296528 465993796 /nfs/dbraw/zinc/99/37/96/465993796.db2.gz NTFUGFHHVZXIEQ-UHFFFAOYSA-N 2 2 333.480 2.211 10 0 EEAELP CN(C)c1ccc(CNC(=O)NCC[N@@H+](C)C2CCCCC2)c[nH+]1 ZINC000338296528 465993802 /nfs/dbraw/zinc/99/38/02/465993802.db2.gz NTFUGFHHVZXIEQ-UHFFFAOYSA-N 2 2 333.480 2.211 10 0 EEAELP CCc1ccc(C[NH+]2CCN(c3nc(N(C)C)cc[nH+]3)CC2)s1 ZINC000301754184 466025083 /nfs/dbraw/zinc/02/50/83/466025083.db2.gz JSLPLJYBWNNECN-UHFFFAOYSA-N 2 2 331.489 2.489 10 0 EEAELP Cc1nc(Cl)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000301814842 466038561 /nfs/dbraw/zinc/03/85/61/466038561.db2.gz CUSRWUMEMAZJLJ-YIONKMFJSA-N 2 2 335.883 2.186 10 0 EEAELP Cc1nc(Cl)cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000301814842 466038567 /nfs/dbraw/zinc/03/85/67/466038567.db2.gz CUSRWUMEMAZJLJ-YIONKMFJSA-N 2 2 335.883 2.186 10 0 EEAELP CNc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)[nH+]cc1Br ZINC000302767211 466182577 /nfs/dbraw/zinc/18/25/77/466182577.db2.gz YVLBFWLPVLMJSR-ZYHUDNBSSA-N 2 2 340.269 2.201 10 0 EEAELP CNc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)[nH+]cc1Br ZINC000302767211 466182583 /nfs/dbraw/zinc/18/25/83/466182583.db2.gz YVLBFWLPVLMJSR-ZYHUDNBSSA-N 2 2 340.269 2.201 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH+]3CC4(C3)CCCOC4)c2cc1C ZINC000367490023 466373206 /nfs/dbraw/zinc/37/32/06/466373206.db2.gz MYNPJGKDAVDGOJ-INIZCTEOSA-N 2 2 329.444 2.126 10 0 EEAELP CCc1[nH]ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000367517347 466387784 /nfs/dbraw/zinc/38/77/84/466387784.db2.gz ACBFWRYSDAUDFP-UHFFFAOYSA-N 2 2 332.492 2.257 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000312513995 466531585 /nfs/dbraw/zinc/53/15/85/466531585.db2.gz HFXPDIQSBALWHJ-IUODEOHRSA-N 2 2 345.281 2.039 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(Br)c1 ZINC000312513995 466531594 /nfs/dbraw/zinc/53/15/94/466531594.db2.gz HFXPDIQSBALWHJ-IUODEOHRSA-N 2 2 345.281 2.039 10 0 EEAELP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C[C@@H](C)O1 ZINC000341135499 466609980 /nfs/dbraw/zinc/60/99/80/466609980.db2.gz QSBDWQBUPZFPFB-ZIAGYGMSSA-N 2 2 349.500 2.189 10 0 EEAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422842463 466685768 /nfs/dbraw/zinc/68/57/68/466685768.db2.gz YGGQJDMZJJEIJZ-AYOQOUSVSA-N 3 2 349.544 2.317 10 0 EEAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422842463 466685772 /nfs/dbraw/zinc/68/57/72/466685772.db2.gz YGGQJDMZJJEIJZ-AYOQOUSVSA-N 3 2 349.544 2.317 10 0 EEAELP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)c1 ZINC000422842463 466685776 /nfs/dbraw/zinc/68/57/76/466685776.db2.gz YGGQJDMZJJEIJZ-AYOQOUSVSA-N 2 2 349.544 2.317 10 0 EEAELP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)c1 ZINC000422842463 466685782 /nfs/dbraw/zinc/68/57/82/466685782.db2.gz YGGQJDMZJJEIJZ-AYOQOUSVSA-N 2 2 349.544 2.317 10 0 EEAELP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000657480228 471149084 /nfs/dbraw/zinc/14/90/84/471149084.db2.gz KZFHUGRSKVBSTN-FUHWJXTLSA-N 2 2 336.476 2.037 10 0 EEAELP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1 ZINC000657480228 471149089 /nfs/dbraw/zinc/14/90/89/471149089.db2.gz KZFHUGRSKVBSTN-FUHWJXTLSA-N 2 2 336.476 2.037 10 0 EEAELP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104014 466693846 /nfs/dbraw/zinc/69/38/46/466693846.db2.gz KXEHMWWFZWEBKJ-DLBZAZTESA-N 2 2 329.444 2.348 10 0 EEAELP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104014 466693851 /nfs/dbraw/zinc/69/38/51/466693851.db2.gz KXEHMWWFZWEBKJ-DLBZAZTESA-N 2 2 329.444 2.348 10 0 EEAELP COC(=O)c1coc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000423236222 466701685 /nfs/dbraw/zinc/70/16/85/466701685.db2.gz RVRNIWTUXULPOV-GFCCVEGCSA-N 2 2 330.388 2.044 10 0 EEAELP COC(=O)c1coc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)c1 ZINC000423236223 466701747 /nfs/dbraw/zinc/70/17/47/466701747.db2.gz RVRNIWTUXULPOV-LBPRGKRZSA-N 2 2 330.388 2.044 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)CC2 ZINC000374697235 466717866 /nfs/dbraw/zinc/71/78/66/466717866.db2.gz MUXWOKUMTANRAC-UHFFFAOYSA-N 2 2 341.459 2.239 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCC[N@H+](C)Cc1ccccc1)CC2 ZINC000374697235 466717870 /nfs/dbraw/zinc/71/78/70/466717870.db2.gz MUXWOKUMTANRAC-UHFFFAOYSA-N 2 2 341.459 2.239 10 0 EEAELP [NH3+]C[C@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCCC1 ZINC000417075338 466772060 /nfs/dbraw/zinc/77/20/60/466772060.db2.gz JPUMHWKQBCQEEZ-KRWDZBQOSA-N 2 2 345.491 2.257 10 0 EEAELP [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000417880965 466968298 /nfs/dbraw/zinc/96/82/98/466968298.db2.gz DKRKNBWPFKHHOS-UHFFFAOYSA-N 2 2 337.427 2.047 10 0 EEAELP C[C@@H]1CC(C)(C)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412035598 466972669 /nfs/dbraw/zinc/97/26/69/466972669.db2.gz GBOAJBUBPLIYOO-MRXNPFEDSA-N 2 2 330.476 2.241 10 0 EEAELP C[C@@H]1CC(C)(C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000412035598 466972675 /nfs/dbraw/zinc/97/26/75/466972675.db2.gz GBOAJBUBPLIYOO-MRXNPFEDSA-N 2 2 330.476 2.241 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428531339 467243436 /nfs/dbraw/zinc/24/34/36/467243436.db2.gz CTAPXLWSADFIHD-IVMMDQJWSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428531339 467243437 /nfs/dbraw/zinc/24/34/37/467243437.db2.gz CTAPXLWSADFIHD-IVMMDQJWSA-N 2 2 341.293 2.140 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420371161 467382517 /nfs/dbraw/zinc/38/25/17/467382517.db2.gz LNEPVCGRLASFJL-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420371161 467382520 /nfs/dbraw/zinc/38/25/20/467382520.db2.gz LNEPVCGRLASFJL-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000414923451 467450352 /nfs/dbraw/zinc/45/03/52/467450352.db2.gz HERWGZDZVQTBAR-IINYFYTJSA-N 2 2 325.250 2.472 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@@H](NC[C@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088987 467486903 /nfs/dbraw/zinc/48/69/03/467486903.db2.gz WASTZGNBQDIHTN-IAGOWNOFSA-N 2 2 335.492 2.241 10 0 EEAELP COc1cc(C[N@H+]2CC[C@@H](NC[C@H]([NH3+])CC(C)C)C2)cc(OC)c1 ZINC000415088987 467486905 /nfs/dbraw/zinc/48/69/05/467486905.db2.gz WASTZGNBQDIHTN-IAGOWNOFSA-N 2 2 335.492 2.241 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000449388593 467635571 /nfs/dbraw/zinc/63/55/71/467635571.db2.gz ASXYNXROTGPUJX-OAHLLOKOSA-N 2 2 327.266 2.386 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000449388593 467635573 /nfs/dbraw/zinc/63/55/73/467635573.db2.gz ASXYNXROTGPUJX-OAHLLOKOSA-N 2 2 327.266 2.386 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000457752001 467696573 /nfs/dbraw/zinc/69/65/73/467696573.db2.gz NWOVVSBIVOGOHC-GOSISDBHSA-N 2 2 341.459 2.099 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530221566 467964595 /nfs/dbraw/zinc/96/45/95/467964595.db2.gz FMXQCGRNHOPITE-CQSZACIVSA-N 2 2 336.867 2.044 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909194 468054337 /nfs/dbraw/zinc/05/43/37/468054337.db2.gz HIZOVMUXGOGCLL-GDBMZVCRSA-N 2 2 345.487 2.414 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000516909194 468054340 /nfs/dbraw/zinc/05/43/40/468054340.db2.gz HIZOVMUXGOGCLL-GDBMZVCRSA-N 2 2 345.487 2.414 10 0 EEAELP Cc1nc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000488387354 468084880 /nfs/dbraw/zinc/08/48/80/468084880.db2.gz PUULVGHTKYNPAJ-HOCLYGCPSA-N 2 2 332.496 2.337 10 0 EEAELP Cc1nc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc(N(C)C)[nH+]1 ZINC000488387354 468084881 /nfs/dbraw/zinc/08/48/81/468084881.db2.gz PUULVGHTKYNPAJ-HOCLYGCPSA-N 2 2 332.496 2.337 10 0 EEAELP CSC1(C[NH2+][C@@H](c2cnn[nH]2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000582468807 468543167 /nfs/dbraw/zinc/54/31/67/468543167.db2.gz NFIUMYGHUIFWOY-MRXNPFEDSA-N 2 2 349.479 2.450 10 0 EEAELP CSC1(C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000582468807 468543171 /nfs/dbraw/zinc/54/31/71/468543171.db2.gz NFIUMYGHUIFWOY-MRXNPFEDSA-N 2 2 349.479 2.450 10 0 EEAELP CSC1(C[NH2+][C@@H](c2c[nH]nn2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000582468807 468543177 /nfs/dbraw/zinc/54/31/77/468543177.db2.gz NFIUMYGHUIFWOY-MRXNPFEDSA-N 2 2 349.479 2.450 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)o1 ZINC000594616392 468637533 /nfs/dbraw/zinc/63/75/33/468637533.db2.gz ADPAEAITDHPIMH-INIZCTEOSA-N 2 2 336.432 2.061 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(C)o1 ZINC000594616392 468637537 /nfs/dbraw/zinc/63/75/37/468637537.db2.gz ADPAEAITDHPIMH-INIZCTEOSA-N 2 2 336.432 2.061 10 0 EEAELP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000570797575 468694649 /nfs/dbraw/zinc/69/46/49/468694649.db2.gz AMZRBRGZFYMKEO-ZIAGYGMSSA-N 2 2 339.430 2.434 10 0 EEAELP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000570797575 468694651 /nfs/dbraw/zinc/69/46/51/468694651.db2.gz AMZRBRGZFYMKEO-ZIAGYGMSSA-N 2 2 339.430 2.434 10 0 EEAELP CCN(CC)[C@H](C)C[NH2+]C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000583748666 468749478 /nfs/dbraw/zinc/74/94/78/468749478.db2.gz RMWCIBASBVEVNI-IAGOWNOFSA-N 2 2 332.492 2.334 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC000560514663 468823776 /nfs/dbraw/zinc/82/37/76/468823776.db2.gz AUIGCQKUMMPDRE-SHTZXODSSA-N 2 2 327.432 2.287 10 0 EEAELP C[N@@H+]1CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000571746132 468831718 /nfs/dbraw/zinc/83/17/18/468831718.db2.gz GXVGHJCTOLDCKA-PWSUYJOCSA-N 2 2 342.896 2.063 10 0 EEAELP C[N@H+]1CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)[C@H](C[NH3+])C1 ZINC000571746132 468831720 /nfs/dbraw/zinc/83/17/20/468831720.db2.gz GXVGHJCTOLDCKA-PWSUYJOCSA-N 2 2 342.896 2.063 10 0 EEAELP O=C(NCC[C@H]1CC[NH2+]C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000584338683 468848220 /nfs/dbraw/zinc/84/82/20/468848220.db2.gz LNEBYOUAGNEFIO-CYBMUJFWSA-N 2 2 337.493 2.250 10 0 EEAELP CC[C@@H]1CN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)C[C@H](C)[NH2+]1 ZINC000598535797 468904761 /nfs/dbraw/zinc/90/47/61/468904761.db2.gz HSIOAOHINOQFEI-LSDHHAIUSA-N 2 2 346.500 2.475 10 0 EEAELP C[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C[NH2+]C3CC[NH+](C)CC3)CC2)CC1 ZINC000584615432 468907267 /nfs/dbraw/zinc/90/72/67/468907267.db2.gz STMCRUBVLOKMKB-IYARVYRRSA-N 4 2 336.568 2.160 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000625846364 469408861 /nfs/dbraw/zinc/40/88/61/469408861.db2.gz BAEYHMOGBAUQGM-IRXDYDNUSA-N 2 2 330.476 2.088 10 0 EEAELP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000618665572 469418819 /nfs/dbraw/zinc/41/88/19/469418819.db2.gz KUMCZEVASVYWTO-HNNXBMFYSA-N 2 2 339.443 2.404 10 0 EEAELP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000618665572 469418820 /nfs/dbraw/zinc/41/88/20/469418820.db2.gz KUMCZEVASVYWTO-HNNXBMFYSA-N 2 2 339.443 2.404 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000617014536 469572586 /nfs/dbraw/zinc/57/25/86/469572586.db2.gz LMFUPUCVQMGOBV-SFHVURJKSA-N 2 2 345.487 2.121 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000617014536 469572591 /nfs/dbraw/zinc/57/25/91/469572591.db2.gz LMFUPUCVQMGOBV-SFHVURJKSA-N 2 2 345.487 2.121 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000629595873 469588604 /nfs/dbraw/zinc/58/86/04/469588604.db2.gz SHRLCXVFJAMFOE-QRQLOZEOSA-N 2 2 331.435 2.253 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000629595873 469588607 /nfs/dbraw/zinc/58/86/07/469588607.db2.gz SHRLCXVFJAMFOE-QRQLOZEOSA-N 2 2 331.435 2.253 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000629603330 469590684 /nfs/dbraw/zinc/59/06/84/469590684.db2.gz MMOUGNZTOLRYDJ-OALUTQOASA-N 2 2 348.487 2.179 10 0 EEAELP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000629603330 469590686 /nfs/dbraw/zinc/59/06/86/469590686.db2.gz MMOUGNZTOLRYDJ-OALUTQOASA-N 2 2 348.487 2.179 10 0 EEAELP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629666117 469602814 /nfs/dbraw/zinc/60/28/14/469602814.db2.gz MRLRYHYYDGWVPR-KDURUIRLSA-N 2 2 325.460 2.316 10 0 EEAELP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629666117 469602820 /nfs/dbraw/zinc/60/28/20/469602820.db2.gz MRLRYHYYDGWVPR-KDURUIRLSA-N 2 2 325.460 2.316 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000612993627 469603270 /nfs/dbraw/zinc/60/32/70/469603270.db2.gz CVZCBVIRZDJDRW-GJZGRUSLSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000612993627 469603273 /nfs/dbraw/zinc/60/32/73/469603273.db2.gz CVZCBVIRZDJDRW-GJZGRUSLSA-N 2 2 339.842 2.435 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC000623341396 469629403 /nfs/dbraw/zinc/62/94/03/469629403.db2.gz ACHSXOBBLDMCSM-LJQANCHMSA-N 3 2 331.504 2.481 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC000623341396 469629407 /nfs/dbraw/zinc/62/94/07/469629407.db2.gz ACHSXOBBLDMCSM-LJQANCHMSA-N 2 2 331.504 2.481 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CN3CCOCC3)cc2)CC1(C)C ZINC000623341396 469629412 /nfs/dbraw/zinc/62/94/12/469629412.db2.gz ACHSXOBBLDMCSM-LJQANCHMSA-N 2 2 331.504 2.481 10 0 EEAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623398288 469642743 /nfs/dbraw/zinc/64/27/43/469642743.db2.gz BHHLUJURRIDTIT-UKRRQHHQSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623398288 469642748 /nfs/dbraw/zinc/64/27/48/469642748.db2.gz BHHLUJURRIDTIT-UKRRQHHQSA-N 2 2 339.505 2.118 10 0 EEAELP Clc1ccc(N2CCO[C@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000623655205 469724783 /nfs/dbraw/zinc/72/47/83/469724783.db2.gz REIWBQSFULLEHZ-QGZVFWFLSA-N 2 2 346.862 2.478 10 0 EEAELP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627004523 469786974 /nfs/dbraw/zinc/78/69/74/469786974.db2.gz LULNZCWVHQGPGN-HUUCEWRRSA-N 2 2 342.846 2.215 10 0 EEAELP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627004523 469786975 /nfs/dbraw/zinc/78/69/75/469786975.db2.gz LULNZCWVHQGPGN-HUUCEWRRSA-N 2 2 342.846 2.215 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000617764685 469796189 /nfs/dbraw/zinc/79/61/89/469796189.db2.gz CBZZZDOZYZSQCW-IBGZPJMESA-N 2 2 347.503 2.194 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc([C@H]2CCCOC2)cc1 ZINC000617764685 469796195 /nfs/dbraw/zinc/79/61/95/469796195.db2.gz CBZZZDOZYZSQCW-IBGZPJMESA-N 2 2 347.503 2.194 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000617766182 469797353 /nfs/dbraw/zinc/79/73/53/469797353.db2.gz AZCFFQUJDJOTSY-UHFFFAOYSA-N 2 2 346.450 2.434 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]cc1-c1ccc(F)cc1 ZINC000617766182 469797356 /nfs/dbraw/zinc/79/73/56/469797356.db2.gz AZCFFQUJDJOTSY-UHFFFAOYSA-N 2 2 346.450 2.434 10 0 EEAELP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000617931204 469844319 /nfs/dbraw/zinc/84/43/19/469844319.db2.gz SIOQSGYELYGIEQ-GOSISDBHSA-N 2 2 326.444 2.488 10 0 EEAELP CCN(C(=O)c1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617931204 469844321 /nfs/dbraw/zinc/84/43/21/469844321.db2.gz SIOQSGYELYGIEQ-GOSISDBHSA-N 2 2 326.444 2.488 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)CC2 ZINC000624712787 470006852 /nfs/dbraw/zinc/00/68/52/470006852.db2.gz NZNZPTFEROFIGM-MSOLQXFVSA-N 2 2 340.471 2.481 10 0 EEAELP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+](CCCF)CC1 ZINC000627956592 470032354 /nfs/dbraw/zinc/03/23/54/470032354.db2.gz NZQGGCDSUTYXSI-UHFFFAOYSA-N 2 2 330.407 2.049 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000624953470 470049947 /nfs/dbraw/zinc/04/99/47/470049947.db2.gz OHLDZNFUEVCUTP-OAHLLOKOSA-N 2 2 342.443 2.333 10 0 EEAELP Cc1ncc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000628163557 470068232 /nfs/dbraw/zinc/06/82/32/470068232.db2.gz HPVSUBKIFUMWAJ-UHFFFAOYSA-N 2 2 328.460 2.233 10 0 EEAELP Cc1ncc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000628163557 470068233 /nfs/dbraw/zinc/06/82/33/470068233.db2.gz HPVSUBKIFUMWAJ-UHFFFAOYSA-N 2 2 328.460 2.233 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2Cc3ccc(Cl)cc32)CC1 ZINC000631624111 470174982 /nfs/dbraw/zinc/17/49/82/470174982.db2.gz BOBCKJWEFKOKOI-KRWDZBQOSA-N 2 2 335.879 2.122 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888454 470189779 /nfs/dbraw/zinc/18/97/79/470189779.db2.gz ZLJPXQYOTXRHPB-MOPGFXCFSA-N 2 2 329.488 2.281 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888454 470189780 /nfs/dbraw/zinc/18/97/80/470189780.db2.gz ZLJPXQYOTXRHPB-MOPGFXCFSA-N 2 2 329.488 2.281 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000632795211 470271644 /nfs/dbraw/zinc/27/16/44/470271644.db2.gz WDEMGLRORUWSMK-QZTJIDSGSA-N 2 2 342.418 2.060 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634700297 470281153 /nfs/dbraw/zinc/28/11/53/470281153.db2.gz WWZUTEHOKVUNNG-APWZRJJASA-N 2 2 331.460 2.236 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](Cc2ccncc2)CC1 ZINC000648718528 470322793 /nfs/dbraw/zinc/32/27/93/470322793.db2.gz OVQPJBPWNCHZEZ-INIZCTEOSA-N 2 2 341.459 2.136 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000648728294 470327109 /nfs/dbraw/zinc/32/71/09/470327109.db2.gz YFKQVKZTMXHIPL-AWEZNQCLSA-N 2 2 329.448 2.288 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269512 470587320 /nfs/dbraw/zinc/58/73/20/470587320.db2.gz IEMAJBWXGFYHEG-HIFRSBDPSA-N 2 2 327.831 2.468 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269512 470587322 /nfs/dbraw/zinc/58/73/22/470587322.db2.gz IEMAJBWXGFYHEG-HIFRSBDPSA-N 2 2 327.831 2.468 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899172 471010389 /nfs/dbraw/zinc/01/03/89/471010389.db2.gz BPCGVKWNWNERAY-SZVBFZGTSA-N 2 2 347.478 2.337 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899172 471010390 /nfs/dbraw/zinc/01/03/90/471010390.db2.gz BPCGVKWNWNERAY-SZVBFZGTSA-N 2 2 347.478 2.337 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccc(F)c1 ZINC000651028010 471028307 /nfs/dbraw/zinc/02/83/07/471028307.db2.gz BSCFGDMBGBAOHO-KRWDZBQOSA-N 2 2 344.434 2.320 10 0 EEAELP C[NH+](C)CCCC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651622666 471060699 /nfs/dbraw/zinc/06/06/99/471060699.db2.gz FAYDNEAWTSGWMY-UHFFFAOYSA-N 2 2 332.492 2.342 10 0 EEAELP CC(C)Cn1nccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000648035448 471062970 /nfs/dbraw/zinc/06/29/70/471062970.db2.gz DEDBAKFBDJLZJX-UFRUDQCGSA-N 2 2 345.535 2.282 10 0 EEAELP CC(C)Cn1nccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000648035448 471062976 /nfs/dbraw/zinc/06/29/76/471062976.db2.gz DEDBAKFBDJLZJX-UFRUDQCGSA-N 2 2 345.535 2.282 10 0 EEAELP Cn1cc[nH+]c1[C@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccccc1 ZINC000645104682 471138342 /nfs/dbraw/zinc/13/83/42/471138342.db2.gz VKFZTYDVHMJCFY-MRXNPFEDSA-N 2 2 334.427 2.295 10 0 EEAELP COc1cc(C[N@@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc2ccccc21 ZINC000651891093 471159431 /nfs/dbraw/zinc/15/94/31/471159431.db2.gz GWTBKJHXGHMIFE-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP COc1cc(C[N@H+]2CCN(CC[NH+](C)C)C(=O)C2)cc2ccccc21 ZINC000651891093 471159434 /nfs/dbraw/zinc/15/94/34/471159434.db2.gz GWTBKJHXGHMIFE-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648440119 471206253 /nfs/dbraw/zinc/20/62/53/471206253.db2.gz MPNKSAUEOXZNDC-VQTJNVASSA-N 2 2 343.515 2.466 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648440119 471206256 /nfs/dbraw/zinc/20/62/56/471206256.db2.gz MPNKSAUEOXZNDC-VQTJNVASSA-N 2 2 343.515 2.466 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490335 471363657 /nfs/dbraw/zinc/36/36/57/471363657.db2.gz RBCXQTRQAKINKE-FHLIZLRMSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490335 471363661 /nfs/dbraw/zinc/36/36/61/471363661.db2.gz RBCXQTRQAKINKE-FHLIZLRMSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490335 471363664 /nfs/dbraw/zinc/36/36/64/471363664.db2.gz RBCXQTRQAKINKE-FHLIZLRMSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490335 471363667 /nfs/dbraw/zinc/36/36/67/471363667.db2.gz RBCXQTRQAKINKE-FHLIZLRMSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)CN[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490335 471363672 /nfs/dbraw/zinc/36/36/72/471363672.db2.gz RBCXQTRQAKINKE-FHLIZLRMSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)CN[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000660490335 471363675 /nfs/dbraw/zinc/36/36/75/471363675.db2.gz RBCXQTRQAKINKE-FHLIZLRMSA-N 2 2 341.446 2.001 10 0 EEAELP Cc1ccc2oc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2c1 ZINC000666470711 471413306 /nfs/dbraw/zinc/41/33/06/471413306.db2.gz MOIZUQZCKZNLDS-UHFFFAOYSA-N 2 2 346.475 2.424 10 0 EEAELP Cc1ccc2oc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2c1 ZINC000666470711 471413314 /nfs/dbraw/zinc/41/33/14/471413314.db2.gz MOIZUQZCKZNLDS-UHFFFAOYSA-N 2 2 346.475 2.424 10 0 EEAELP CNC(=O)C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655764940 471475343 /nfs/dbraw/zinc/47/53/43/471475343.db2.gz VOXQHMXLPZSYCG-OALUTQOASA-N 2 2 345.487 2.097 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000653106136 471489310 /nfs/dbraw/zinc/48/93/10/471489310.db2.gz VIHDWTVKUIMHRF-HNNXBMFYSA-N 2 2 337.427 2.447 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@@H](C[NH3+])C2)c(C)c1 ZINC000669540660 471541842 /nfs/dbraw/zinc/54/18/42/471541842.db2.gz ZTWUKVZBPKWTBZ-WMZOPIPTSA-N 2 2 341.459 2.231 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])COC(C)C)cc1 ZINC000659288056 471568647 /nfs/dbraw/zinc/56/86/47/471568647.db2.gz QDDYCIOOUWKEHQ-GUYCJALGSA-N 2 2 330.432 2.110 10 0 EEAELP C[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)c1[nH+]ccn1C ZINC000667246955 471708065 /nfs/dbraw/zinc/70/80/65/471708065.db2.gz VNFLWHWMRUKKEB-DOTOQJQBSA-N 2 2 341.459 2.049 10 0 EEAELP C[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)c1[nH+]ccn1C ZINC000667246955 471708066 /nfs/dbraw/zinc/70/80/66/471708066.db2.gz VNFLWHWMRUKKEB-DOTOQJQBSA-N 2 2 341.459 2.049 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1[nH+]ccn1C ZINC000667248257 471708233 /nfs/dbraw/zinc/70/82/33/471708233.db2.gz UUWSCVARSWOJDF-HNNXBMFYSA-N 2 2 327.432 2.009 10 0 EEAELP CCN1CC[C@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000656488169 471732669 /nfs/dbraw/zinc/73/26/69/471732669.db2.gz LQJBSSCWJCYSRV-ZWKOTPCHSA-N 2 2 326.444 2.452 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000653777591 471736631 /nfs/dbraw/zinc/73/66/31/471736631.db2.gz PZKQMHCXMFRGGD-RTBURBONSA-N 2 2 330.472 2.319 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000653777591 471736637 /nfs/dbraw/zinc/73/66/37/471736637.db2.gz PZKQMHCXMFRGGD-RTBURBONSA-N 2 2 330.472 2.319 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000653777591 471736641 /nfs/dbraw/zinc/73/66/41/471736641.db2.gz PZKQMHCXMFRGGD-RTBURBONSA-N 2 2 330.472 2.319 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000653777591 471736644 /nfs/dbraw/zinc/73/66/44/471736644.db2.gz PZKQMHCXMFRGGD-RTBURBONSA-N 2 2 330.472 2.319 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000656701894 471812207 /nfs/dbraw/zinc/81/22/07/471812207.db2.gz FOADRAZSHVUSGK-IAGOWNOFSA-N 2 2 336.476 2.035 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000656701894 471812211 /nfs/dbraw/zinc/81/22/11/471812211.db2.gz FOADRAZSHVUSGK-IAGOWNOFSA-N 2 2 336.476 2.035 10 0 EEAELP Cc1cccn2c(NC(=O)NC[C@@]3([NH+](C)C)CCSC3)c[nH+]c12 ZINC000667951638 471960455 /nfs/dbraw/zinc/96/04/55/471960455.db2.gz FKOKVLGAYMYIAI-INIZCTEOSA-N 2 2 333.461 2.202 10 0 EEAELP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)n1C ZINC000668141215 472025116 /nfs/dbraw/zinc/02/51/16/472025116.db2.gz YLLBWFZKTOGZLU-LBPRGKRZSA-N 2 2 332.370 2.009 10 0 EEAELP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)n1C ZINC000668141215 472025120 /nfs/dbraw/zinc/02/51/20/472025120.db2.gz YLLBWFZKTOGZLU-LBPRGKRZSA-N 2 2 332.370 2.009 10 0 EEAELP CCCn1nccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000668166811 472034830 /nfs/dbraw/zinc/03/48/30/472034830.db2.gz INBVYMJVRKCBRC-JJTKIYQPSA-N 2 2 331.508 2.036 10 0 EEAELP CCCn1nccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000668166811 472034836 /nfs/dbraw/zinc/03/48/36/472034836.db2.gz INBVYMJVRKCBRC-JJTKIYQPSA-N 2 2 331.508 2.036 10 0 EEAELP CCCn1nccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000668166811 472034837 /nfs/dbraw/zinc/03/48/37/472034837.db2.gz INBVYMJVRKCBRC-JJTKIYQPSA-N 2 2 331.508 2.036 10 0 EEAELP CCCn1nccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000668166811 472034843 /nfs/dbraw/zinc/03/48/43/472034843.db2.gz INBVYMJVRKCBRC-JJTKIYQPSA-N 2 2 331.508 2.036 10 0 EEAELP CC1CCC(N(C)C(=O)C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662316657 472067582 /nfs/dbraw/zinc/06/75/82/472067582.db2.gz LMFICQBKWJHADF-ABHNRTSZSA-N 2 2 339.524 2.066 10 0 EEAELP CC1CCC(N(C)C(=O)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000662316657 472067588 /nfs/dbraw/zinc/06/75/88/472067588.db2.gz LMFICQBKWJHADF-ABHNRTSZSA-N 2 2 339.524 2.066 10 0 EEAELP Cc1[nH+]cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1-c1ccccc1 ZINC000668739758 472248647 /nfs/dbraw/zinc/24/86/47/472248647.db2.gz CLMHNWYAUAKBQV-FQEVSTJZSA-N 2 2 340.471 2.212 10 0 EEAELP Cc1[nH+]cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)n1-c1ccccc1 ZINC000668739758 472248654 /nfs/dbraw/zinc/24/86/54/472248654.db2.gz CLMHNWYAUAKBQV-FQEVSTJZSA-N 2 2 340.471 2.212 10 0 EEAELP CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cn1 ZINC000668785207 472266240 /nfs/dbraw/zinc/26/62/40/472266240.db2.gz NYHCBWRPTYUPFL-SFHVURJKSA-N 2 2 334.508 2.469 10 0 EEAELP CC(C)N(C)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cn1 ZINC000668785207 472266245 /nfs/dbraw/zinc/26/62/45/472266245.db2.gz NYHCBWRPTYUPFL-SFHVURJKSA-N 2 2 334.508 2.469 10 0 EEAELP Cc1nc(NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631058460 486739205 /nfs/dbraw/zinc/73/92/05/486739205.db2.gz HHDGUCCOQCEQRQ-CQSZACIVSA-N 2 2 332.839 2.087 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678769485 485497905 /nfs/dbraw/zinc/49/79/05/485497905.db2.gz FRHVPMPONUIELT-HOCLYGCPSA-N 2 2 335.473 2.117 10 0 EEAELP CN(C)c1ccc(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c[nH+]1 ZINC000673809920 485539456 /nfs/dbraw/zinc/53/94/56/485539456.db2.gz OYCWDHWCAYDDAP-UHFFFAOYSA-N 2 2 337.387 2.050 10 0 EEAELP NC(=O)Cc1ccc(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)cc1 ZINC000685624430 486162045 /nfs/dbraw/zinc/16/20/45/486162045.db2.gz RZOPJENTWHBMIP-UHFFFAOYSA-N 2 2 326.425 2.251 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000171595541 534687033 /nfs/dbraw/zinc/68/70/33/534687033.db2.gz NIFXIYNRFAGMEB-INIZCTEOSA-N 2 2 341.459 2.224 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000171595541 534687035 /nfs/dbraw/zinc/68/70/35/534687035.db2.gz NIFXIYNRFAGMEB-INIZCTEOSA-N 2 2 341.459 2.224 10 0 EEAELP CCOCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000189888711 528687639 /nfs/dbraw/zinc/68/76/39/528687639.db2.gz UDSKXHMMRARQCT-CVEARBPZSA-N 2 2 344.459 2.454 10 0 EEAELP COc1ccc([C@H]([NH2+]CCC(=O)N2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422693818 536930245 /nfs/dbraw/zinc/93/02/45/536930245.db2.gz MQYKUCMGMWUSRA-QUCCMNQESA-N 2 2 345.487 2.481 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000730785078 577055610 /nfs/dbraw/zinc/05/56/10/577055610.db2.gz DDSUDXWHUZTUPA-GJZGRUSLSA-N 2 2 327.432 2.260 10 0 EEAELP Cc1ccccc1NC(=S)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000732720525 577189980 /nfs/dbraw/zinc/18/99/80/577189980.db2.gz IULHMBVIHGHQMY-OAHLLOKOSA-N 2 2 332.517 2.450 10 0 EEAELP Cc1ccccc1NC(=S)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000732720525 577189982 /nfs/dbraw/zinc/18/99/82/577189982.db2.gz IULHMBVIHGHQMY-OAHLLOKOSA-N 2 2 332.517 2.450 10 0 EEAELP CC[N@H+](C)C[C@H]1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743398904 577884674 /nfs/dbraw/zinc/88/46/74/577884674.db2.gz ODEZCVOXCUOKJG-CQSZACIVSA-N 2 2 330.432 2.054 10 0 EEAELP CC[N@@H+](C)C[C@H]1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743398904 577884675 /nfs/dbraw/zinc/88/46/75/577884675.db2.gz ODEZCVOXCUOKJG-CQSZACIVSA-N 2 2 330.432 2.054 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743398904 577884676 /nfs/dbraw/zinc/88/46/76/577884676.db2.gz ODEZCVOXCUOKJG-CQSZACIVSA-N 2 2 330.432 2.054 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743398904 577884677 /nfs/dbraw/zinc/88/46/77/577884677.db2.gz ODEZCVOXCUOKJG-CQSZACIVSA-N 2 2 330.432 2.054 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000051234669 676685257 /nfs/dbraw/zinc/68/52/57/676685257.db2.gz WOELYGYBCHSQSD-AWEZNQCLSA-N 2 2 334.464 2.381 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1C ZINC000051234669 676685260 /nfs/dbraw/zinc/68/52/60/676685260.db2.gz WOELYGYBCHSQSD-AWEZNQCLSA-N 2 2 334.464 2.381 10 0 EEAELP C[NH+](C)CC[C@H](NC(=O)NCCCCn1cc[nH+]c1)c1cccnc1 ZINC000914308224 683485025 /nfs/dbraw/zinc/48/50/25/683485025.db2.gz OEGMUUPCUPFBAK-KRWDZBQOSA-N 2 2 344.463 2.051 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCF)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000898490164 693335987 /nfs/dbraw/zinc/33/59/87/693335987.db2.gz RPUSMASVLODZRY-IBGZPJMESA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCF)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000898490164 693335994 /nfs/dbraw/zinc/33/59/94/693335994.db2.gz RPUSMASVLODZRY-IBGZPJMESA-N 2 2 347.478 2.449 10 0 EEAELP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001485722036 1191909590 /nfs/dbraw/zinc/90/95/90/1191909590.db2.gz CDPYSASJMOEMIX-PBHICJAKSA-N 2 2 335.496 2.321 10 0 EEAELP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001485722036 1191909592 /nfs/dbraw/zinc/90/95/92/1191909592.db2.gz CDPYSASJMOEMIX-PBHICJAKSA-N 2 2 335.496 2.321 10 0 EEAELP CC(C)CCC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001266414443 1176505090 /nfs/dbraw/zinc/50/50/90/1176505090.db2.gz BZMYEJGUHKQFDJ-SJLPKXTDSA-N 2 2 332.492 2.366 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1)[NH+](C)C ZINC001266483116 1176615919 /nfs/dbraw/zinc/61/59/19/1176615919.db2.gz OIDIHGXANRZGSZ-GJZGRUSLSA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1)[NH+](C)C ZINC001266483116 1176615925 /nfs/dbraw/zinc/61/59/25/1176615925.db2.gz OIDIHGXANRZGSZ-GJZGRUSLSA-N 2 2 338.883 2.156 10 0 EEAELP CN(CC[NH2+]CCCC1CCOCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001266744042 1177336297 /nfs/dbraw/zinc/33/62/97/1177336297.db2.gz OEIISINGCUQOBR-UHFFFAOYSA-N 2 2 344.459 2.431 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001691305734 1177869594 /nfs/dbraw/zinc/86/95/94/1177869594.db2.gz OTDSEFZKSJLQFO-DYVFJYSZSA-N 2 2 345.447 2.056 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001691308785 1177882208 /nfs/dbraw/zinc/88/22/08/1177882208.db2.gz GXRWAUIEPIKGCU-SJLPKXTDSA-N 2 2 341.459 2.085 10 0 EEAELP Cc1ccc2sc(C[NH2+][C@@H](C)CNC(=O)Cn3cc[nH+]c3)nc2c1 ZINC001266997041 1178055603 /nfs/dbraw/zinc/05/56/03/1178055603.db2.gz XWSIGMRLFQINSB-ZDUSSCGKSA-N 2 2 343.456 2.096 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CCCc1ccccc1C ZINC001267017599 1178099017 /nfs/dbraw/zinc/09/90/17/1178099017.db2.gz LOONUGARTANXEL-UHFFFAOYSA-N 2 2 328.460 2.250 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@@H](C[NH2+]CC[C@H]2CCOC2)C1 ZINC001267048329 1178149866 /nfs/dbraw/zinc/14/98/66/1178149866.db2.gz VZDBYKQJXWXGJU-GJZGRUSLSA-N 2 2 342.443 2.041 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001267073791 1178193577 /nfs/dbraw/zinc/19/35/77/1178193577.db2.gz ZEYQWFHWKBOAOZ-INIZCTEOSA-N 2 2 332.473 2.016 10 0 EEAELP Cc1cc(C)c(C(=O)NCc2ccc(CC[NH2+]CCO)cc2)c(C)[nH+]1 ZINC001267096558 1178230743 /nfs/dbraw/zinc/23/07/43/1178230743.db2.gz SWRNLWJJVBGXLJ-UHFFFAOYSA-N 2 2 341.455 2.061 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC001267168504 1178384013 /nfs/dbraw/zinc/38/40/13/1178384013.db2.gz ULWJUGFJKYVUDU-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC001267168504 1178384021 /nfs/dbraw/zinc/38/40/21/1178384021.db2.gz ULWJUGFJKYVUDU-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC001267168504 1178384028 /nfs/dbraw/zinc/38/40/28/1178384028.db2.gz ULWJUGFJKYVUDU-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC001267168504 1178384035 /nfs/dbraw/zinc/38/40/35/1178384035.db2.gz ULWJUGFJKYVUDU-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]Cc2sc(C)nc2C)c[nH+]1 ZINC001267390132 1178955795 /nfs/dbraw/zinc/95/57/95/1178955795.db2.gz KTGRLFGSXDSNKL-UHFFFAOYSA-N 2 2 349.504 2.248 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)N(C)CC[NH2+]C/C(Cl)=C/Cl)CC2 ZINC001267418720 1178984878 /nfs/dbraw/zinc/98/48/78/1178984878.db2.gz CGGYRTNGDDBOOL-BPLGCGBFSA-N 2 2 345.274 2.121 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)o1 ZINC001267473093 1179104868 /nfs/dbraw/zinc/10/48/68/1179104868.db2.gz APBCOYLOZHEJPY-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[N@H+]1C/C=C\Cl ZINC001481039291 1179592218 /nfs/dbraw/zinc/59/22/18/1179592218.db2.gz LJTVQILIXMWMCK-QZDDGCDVSA-N 2 2 336.867 2.095 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[N@@H+]1C/C=C\Cl ZINC001481039291 1179592222 /nfs/dbraw/zinc/59/22/22/1179592222.db2.gz LJTVQILIXMWMCK-QZDDGCDVSA-N 2 2 336.867 2.095 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CC[C@@H]1CCCC1(F)F ZINC001481073610 1179684350 /nfs/dbraw/zinc/68/43/50/1179684350.db2.gz PFWHKABAAQDJIG-LSDHHAIUSA-N 2 2 340.418 2.289 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCC1(F)F ZINC001481073610 1179684352 /nfs/dbraw/zinc/68/43/52/1179684352.db2.gz PFWHKABAAQDJIG-LSDHHAIUSA-N 2 2 340.418 2.289 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1C[NH+](CCCCc2ccccc2)C1 ZINC001267655137 1180110149 /nfs/dbraw/zinc/11/01/49/1180110149.db2.gz JCWKVDSLAUIARQ-UHFFFAOYSA-N 2 2 326.444 2.097 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001267938120 1180791491 /nfs/dbraw/zinc/79/14/91/1180791491.db2.gz LLLFMAOKEBCTOY-QGZVFWFLSA-N 2 2 326.444 2.262 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]CCOC3CCC3)ccn12 ZINC001267985174 1180920371 /nfs/dbraw/zinc/92/03/71/1180920371.db2.gz BRLIYRLUEPPJAF-AWEZNQCLSA-N 2 2 344.459 2.167 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001481535265 1181673190 /nfs/dbraw/zinc/67/31/90/1181673190.db2.gz WCOBEWHNWNNHPM-HNNXBMFYSA-N 2 2 339.505 2.040 10 0 EEAELP CCOCC[N@H+]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001481535265 1181673197 /nfs/dbraw/zinc/67/31/97/1181673197.db2.gz WCOBEWHNWNNHPM-HNNXBMFYSA-N 2 2 339.505 2.040 10 0 EEAELP COCCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001268280936 1182148037 /nfs/dbraw/zinc/14/80/37/1182148037.db2.gz OLLKCCHGXLEAJY-HZPDHXFCSA-N 2 2 344.459 2.249 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001268287538 1182166146 /nfs/dbraw/zinc/16/61/46/1182166146.db2.gz HCXCWERIBMAEAN-MNOVXSKESA-N 2 2 331.247 2.146 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2nccs2)c[nH+]1 ZINC001268373327 1182382077 /nfs/dbraw/zinc/38/20/77/1182382077.db2.gz BLCYUVYHFOPCEN-GFCCVEGCSA-N 2 2 335.477 2.068 10 0 EEAELP Cc1nn(C)cc1C[NH2+]CC[C@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001268389088 1182440988 /nfs/dbraw/zinc/44/09/88/1182440988.db2.gz ZAKANPJVAVKNRB-ZDUSSCGKSA-N 2 2 343.475 2.347 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]Cc1ncc(Cl)s1 ZINC001268417883 1182579944 /nfs/dbraw/zinc/57/99/44/1182579944.db2.gz BCELFRKTLNGKQJ-SECBINFHSA-N 2 2 341.868 2.055 10 0 EEAELP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cnc(C)o1 ZINC001481824023 1182743500 /nfs/dbraw/zinc/74/35/00/1182743500.db2.gz OUPNKIUGGRTRFR-ZDUSSCGKSA-N 2 2 327.388 2.158 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1F)C(=O)Cc1[nH]c[nH+]c1C ZINC001268493454 1182994634 /nfs/dbraw/zinc/99/46/34/1182994634.db2.gz DUGVINCNTWNSFS-UHFFFAOYSA-N 2 2 332.423 2.081 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001268560590 1183257560 /nfs/dbraw/zinc/25/75/60/1183257560.db2.gz KOOLZWKEZGWZHI-DCKQQPRJSA-N 2 2 338.455 2.216 10 0 EEAELP CC(C)=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001269634939 1184461248 /nfs/dbraw/zinc/46/12/48/1184461248.db2.gz WJNNENCRZIVADQ-MDZRGWNJSA-N 2 2 330.476 2.364 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001269877757 1184688692 /nfs/dbraw/zinc/68/86/92/1184688692.db2.gz SKEVTHJGRHJQHL-SFHVURJKSA-N 2 2 344.503 2.464 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@@]2(C)CC[N@H+](CCCCCF)C2)no1 ZINC001270599938 1185194784 /nfs/dbraw/zinc/19/47/84/1185194784.db2.gz QHFXWGFTRPFUAB-KRWDZBQOSA-N 2 2 340.443 2.070 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@@]2(C)CC[N@@H+](CCCCCF)C2)no1 ZINC001270599938 1185194786 /nfs/dbraw/zinc/19/47/86/1185194786.db2.gz QHFXWGFTRPFUAB-KRWDZBQOSA-N 2 2 340.443 2.070 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001691508211 1185362487 /nfs/dbraw/zinc/36/24/87/1185362487.db2.gz HHDDHBQFRLHJHB-CQSZACIVSA-N 2 2 339.443 2.318 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001691508211 1185362493 /nfs/dbraw/zinc/36/24/93/1185362493.db2.gz HHDDHBQFRLHJHB-CQSZACIVSA-N 2 2 339.443 2.318 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001482358631 1185506687 /nfs/dbraw/zinc/50/66/87/1185506687.db2.gz QKUBMMONKATHNR-UONOGXRCSA-N 2 2 344.459 2.467 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)CC[C@@H]1[NH2+]CCCCCF ZINC001271416607 1186202998 /nfs/dbraw/zinc/20/29/98/1186202998.db2.gz MLNUIFMDERXKGS-CVEARBPZSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)s1 ZINC001482642854 1187474374 /nfs/dbraw/zinc/47/43/74/1187474374.db2.gz VZWWQNNGNPJOJL-UHFFFAOYSA-N 2 2 349.504 2.351 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)s1 ZINC001482642854 1187474377 /nfs/dbraw/zinc/47/43/77/1187474377.db2.gz VZWWQNNGNPJOJL-UHFFFAOYSA-N 2 2 349.504 2.351 10 0 EEAELP C[C@H](CC[NH2+]CCC[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482848020 1187766477 /nfs/dbraw/zinc/76/64/77/1187766477.db2.gz WEGCRZQCBUEMFZ-CABCVRRESA-N 2 2 344.459 2.478 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@@H](C)CC[NH2+]CCC3CC3)[nH+]c12 ZINC001482880552 1187804470 /nfs/dbraw/zinc/80/44/70/1187804470.db2.gz QPOFDZSKZXRFNA-HNNXBMFYSA-N 2 2 328.460 2.470 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CCCCC(F)(F)F ZINC001272158164 1187965151 /nfs/dbraw/zinc/96/51/51/1187965151.db2.gz DASADFNBHQVFKT-UHFFFAOYSA-N 2 2 334.386 2.383 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CCCCC(F)(F)F ZINC001272158164 1187965152 /nfs/dbraw/zinc/96/51/52/1187965152.db2.gz DASADFNBHQVFKT-UHFFFAOYSA-N 2 2 334.386 2.383 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483011587 1187996441 /nfs/dbraw/zinc/99/64/41/1187996441.db2.gz QXZZAILLJQAKJF-AATRIKPKSA-N 2 2 334.464 2.010 10 0 EEAELP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001483137724 1188687084 /nfs/dbraw/zinc/68/70/84/1188687084.db2.gz DALJXNIQRCUZIH-CZUORRHYSA-N 2 2 347.463 2.370 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccsc1 ZINC001485895959 1193632977 /nfs/dbraw/zinc/63/29/77/1193632977.db2.gz WWDXQEBDIWRWRM-UKRRQHHQSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC/C=C/c1ccccc1 ZINC001485937794 1193651807 /nfs/dbraw/zinc/65/18/07/1193651807.db2.gz JKYOBOUVHUDEJC-DHINHOHASA-N 2 2 326.444 2.492 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CCCCC(F)(F)F ZINC001485944895 1193654313 /nfs/dbraw/zinc/65/43/13/1193654313.db2.gz JTJWTOVLWNCDRV-GFCCVEGCSA-N 2 2 334.386 2.132 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC001409632804 1190133231 /nfs/dbraw/zinc/13/32/31/1190133231.db2.gz RPFZBLGXSQEGQG-CHWSQXEVSA-N 2 2 327.419 2.414 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC001409632804 1190133234 /nfs/dbraw/zinc/13/32/34/1190133234.db2.gz RPFZBLGXSQEGQG-CHWSQXEVSA-N 2 2 327.419 2.414 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC001409685489 1190187009 /nfs/dbraw/zinc/18/70/09/1190187009.db2.gz CEXKQGFKSZHCBU-FUHWJXTLSA-N 2 2 340.471 2.440 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC[C@H]1CCc2ccccc21 ZINC001409685489 1190187010 /nfs/dbraw/zinc/18/70/10/1190187010.db2.gz CEXKQGFKSZHCBU-FUHWJXTLSA-N 2 2 340.471 2.440 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1 ZINC001483497243 1190514198 /nfs/dbraw/zinc/51/41/98/1190514198.db2.gz JDNAHVQYWYHBEU-CYBMUJFWSA-N 2 2 349.866 2.275 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CCC[NH2+]Cc1cccc(Cl)n1 ZINC001483497243 1190514200 /nfs/dbraw/zinc/51/42/00/1190514200.db2.gz JDNAHVQYWYHBEU-CYBMUJFWSA-N 2 2 349.866 2.275 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC1CCCC1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483571710 1190560400 /nfs/dbraw/zinc/56/04/00/1190560400.db2.gz SCTQYVJMGKGDJU-AEFFLSMTSA-N 2 2 330.476 2.120 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC[C@H]1CCCO1)C1CC1)c1cccc2[nH+]ccn21 ZINC001483574948 1190564516 /nfs/dbraw/zinc/56/45/16/1190564516.db2.gz JIINSBBYSOQGBV-CVEARBPZSA-N 2 2 342.443 2.001 10 0 EEAELP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@@H+]1Cc1csc(C)c1 ZINC001483653010 1190711064 /nfs/dbraw/zinc/71/10/64/1190711064.db2.gz LBZIAMGHNZVIMB-CVEARBPZSA-N 2 2 341.496 2.427 10 0 EEAELP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CC[N@H+]1Cc1csc(C)c1 ZINC001483653010 1190711068 /nfs/dbraw/zinc/71/10/68/1190711068.db2.gz LBZIAMGHNZVIMB-CVEARBPZSA-N 2 2 341.496 2.427 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001272474920 1190840526 /nfs/dbraw/zinc/84/05/26/1190840526.db2.gz KRLWLNWKQKWKLA-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001484128264 1191224995 /nfs/dbraw/zinc/22/49/95/1191224995.db2.gz NSZRVOFUJUARMZ-SFHVURJKSA-N 2 2 345.447 2.023 10 0 EEAELP CC[C@@H](F)C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001484184928 1191263825 /nfs/dbraw/zinc/26/38/25/1191263825.db2.gz CQZQWSNCRXIXIV-CQSZACIVSA-N 2 2 348.422 2.180 10 0 EEAELP CN(CCC[N@H+](C)CCc1ccccc1F)C(=O)Cn1cc[nH+]c1 ZINC001484770154 1191513307 /nfs/dbraw/zinc/51/33/07/1191513307.db2.gz ZVRLHFSBQDTSAG-UHFFFAOYSA-N 2 2 332.423 2.045 10 0 EEAELP CN(CCC[N@@H+](C)CCc1ccccc1F)C(=O)Cn1cc[nH+]c1 ZINC001484770154 1191513309 /nfs/dbraw/zinc/51/33/09/1191513309.db2.gz ZVRLHFSBQDTSAG-UHFFFAOYSA-N 2 2 332.423 2.045 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](C)[NH2+]Cc3cscn3)ccn12 ZINC001485149236 1191665776 /nfs/dbraw/zinc/66/57/76/1191665776.db2.gz YGWDKXMAWHLZAO-QWHCGFSZSA-N 2 2 343.456 2.396 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485175474 1191677051 /nfs/dbraw/zinc/67/70/51/1191677051.db2.gz DGXMXPOQGAMGBU-STQMWFEESA-N 2 2 336.386 2.234 10 0 EEAELP CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486370840 1193874295 /nfs/dbraw/zinc/87/42/95/1193874295.db2.gz ANKRPVYEJGGGBV-KRWDZBQOSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCC1CC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486370840 1193874300 /nfs/dbraw/zinc/87/43/00/1193874300.db2.gz ANKRPVYEJGGGBV-KRWDZBQOSA-N 2 2 332.492 2.414 10 0 EEAELP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001486466026 1193981314 /nfs/dbraw/zinc/98/13/14/1193981314.db2.gz XGSMTPFQGZYPKN-UHFFFAOYSA-N 2 2 347.850 2.170 10 0 EEAELP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001486466026 1193981316 /nfs/dbraw/zinc/98/13/16/1193981316.db2.gz XGSMTPFQGZYPKN-UHFFFAOYSA-N 2 2 347.850 2.170 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCc1ccc(C[NH2+]C/C=C\Cl)cc1F ZINC001486526078 1194048431 /nfs/dbraw/zinc/04/84/31/1194048431.db2.gz JBZGNQJJIGKBJW-RJRFIUFISA-N 2 2 336.798 2.181 10 0 EEAELP CCCCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001671059065 1195013031 /nfs/dbraw/zinc/01/30/31/1195013031.db2.gz BRKGVENVJGQXKY-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP COCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001691690269 1197507304 /nfs/dbraw/zinc/50/73/04/1197507304.db2.gz PTMZTJOKSGCSGL-QGZVFWFLSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)o1 ZINC001410235140 1197621919 /nfs/dbraw/zinc/62/19/19/1197621919.db2.gz YPSSBYIUWDDKGZ-BZUAXINKSA-N 2 2 345.447 2.205 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccccc1 ZINC001410446854 1197915993 /nfs/dbraw/zinc/91/59/93/1197915993.db2.gz XWEZUBUTNZCSEK-USXIJHARSA-N 2 2 326.444 2.160 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000872154744 1198061627 /nfs/dbraw/zinc/06/16/27/1198061627.db2.gz XZWLDIJDRWNYPH-HIFRSBDPSA-N 2 2 332.366 2.391 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1 ZINC000872154744 1198061635 /nfs/dbraw/zinc/06/16/35/1198061635.db2.gz XZWLDIJDRWNYPH-HIFRSBDPSA-N 2 2 332.366 2.391 10 0 EEAELP CC(C)COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001490798953 1198421826 /nfs/dbraw/zinc/42/18/26/1198421826.db2.gz OGKXXXQJYHJEHO-OKZBNKHCSA-N 2 2 348.491 2.182 10 0 EEAELP CC(C)COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001490798953 1198421831 /nfs/dbraw/zinc/42/18/31/1198421831.db2.gz OGKXXXQJYHJEHO-OKZBNKHCSA-N 2 2 348.491 2.182 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1c(F)cccc1F ZINC001411022010 1198696776 /nfs/dbraw/zinc/69/67/76/1198696776.db2.gz BEWACXPUTKAYQX-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1c(F)cccc1F ZINC001411022010 1198696781 /nfs/dbraw/zinc/69/67/81/1198696781.db2.gz BEWACXPUTKAYQX-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP COCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273429140 1198814563 /nfs/dbraw/zinc/81/45/63/1198814563.db2.gz UYJSJVPSDBLNMT-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273429140 1198814567 /nfs/dbraw/zinc/81/45/67/1198814567.db2.gz UYJSJVPSDBLNMT-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273429140 1198814572 /nfs/dbraw/zinc/81/45/72/1198814572.db2.gz UYJSJVPSDBLNMT-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273429140 1198814578 /nfs/dbraw/zinc/81/45/78/1198814578.db2.gz UYJSJVPSDBLNMT-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)CC[NH2+]CC3CC3)CC2)s1 ZINC000870890791 1200935565 /nfs/dbraw/zinc/93/55/65/1200935565.db2.gz GTDOQLIFTQQQAO-UHFFFAOYSA-N 2 2 335.517 2.344 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000870909921 1200947650 /nfs/dbraw/zinc/94/76/50/1200947650.db2.gz DORHKCRNBFYMSO-BQGCOEIASA-N 2 2 337.414 2.344 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000870909921 1200947658 /nfs/dbraw/zinc/94/76/58/1200947658.db2.gz DORHKCRNBFYMSO-BQGCOEIASA-N 2 2 337.414 2.344 10 0 EEAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000866702429 1201584254 /nfs/dbraw/zinc/58/42/54/1201584254.db2.gz APTFMOOWPQIHER-IBGZPJMESA-N 2 2 347.459 2.093 10 0 EEAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000866702429 1201584256 /nfs/dbraw/zinc/58/42/56/1201584256.db2.gz APTFMOOWPQIHER-IBGZPJMESA-N 2 2 347.459 2.093 10 0 EEAELP c1ccc(-c2nnn(CCCCC[N@@H+]3CCC[C@@H]4[NH2+]CC[C@@H]43)n2)cc1 ZINC000866725670 1201590254 /nfs/dbraw/zinc/59/02/54/1201590254.db2.gz SGQCMXCPJYZESN-ROUUACIJSA-N 2 2 340.475 2.337 10 0 EEAELP c1ccc(-c2nnn(CCCCC[N@H+]3CCC[C@@H]4[NH2+]CC[C@@H]43)n2)cc1 ZINC000866725670 1201590255 /nfs/dbraw/zinc/59/02/55/1201590255.db2.gz SGQCMXCPJYZESN-ROUUACIJSA-N 2 2 340.475 2.337 10 0 EEAELP Fc1cc(C[NH2+][C@@H]2CCOC23CCOCC3)ccc1-n1cc[nH+]c1 ZINC000924777317 1206029873 /nfs/dbraw/zinc/02/98/73/1206029873.db2.gz QBGGIWFMNHUISF-QGZVFWFLSA-N 2 2 331.391 2.439 10 0 EEAELP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925539042 1206125027 /nfs/dbraw/zinc/12/50/27/1206125027.db2.gz YHPYJFSINGJKTG-FQEVSTJZSA-N 3 2 342.531 2.069 10 0 EEAELP Cc1cccc(C)c1OC[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310282 1206623564 /nfs/dbraw/zinc/62/35/64/1206623564.db2.gz XUMYKHUFZVNCJG-RLLQIKCJSA-N 2 2 332.488 2.317 10 0 EEAELP Cc1cccc(C)c1OC[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310282 1206623565 /nfs/dbraw/zinc/62/35/65/1206623565.db2.gz XUMYKHUFZVNCJG-RLLQIKCJSA-N 2 2 332.488 2.317 10 0 EEAELP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310282 1206623567 /nfs/dbraw/zinc/62/35/67/1206623567.db2.gz XUMYKHUFZVNCJG-RLLQIKCJSA-N 2 2 332.488 2.317 10 0 EEAELP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310282 1206623568 /nfs/dbraw/zinc/62/35/68/1206623568.db2.gz XUMYKHUFZVNCJG-RLLQIKCJSA-N 2 2 332.488 2.317 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158025588 1208387390 /nfs/dbraw/zinc/38/73/90/1208387390.db2.gz XDWBAALRYMVHAS-HNNXBMFYSA-N 2 2 348.834 2.023 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158025588 1208387393 /nfs/dbraw/zinc/38/73/93/1208387393.db2.gz XDWBAALRYMVHAS-HNNXBMFYSA-N 2 2 348.834 2.023 10 0 EEAELP c1nn(-c2ccccc2)nc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000078969217 1210473096 /nfs/dbraw/zinc/47/30/96/1210473096.db2.gz GUMAZHUQRHFPAD-UHFFFAOYSA-N 2 2 334.427 2.421 10 0 EEAELP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(Br)n1 ZINC000720624379 1217186381 /nfs/dbraw/zinc/18/63/81/1217186381.db2.gz JCDAUHODNDORPU-JHJVBQTASA-N 2 2 327.270 2.193 10 0 EEAELP C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900530568 1234449011 /nfs/dbraw/zinc/44/90/11/1234449011.db2.gz SWLRDPCORCWWMR-SFHVURJKSA-N 2 2 341.459 2.161 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/C=C(Cl)Cl ZINC000900693551 1234668696 /nfs/dbraw/zinc/66/86/96/1234668696.db2.gz WNTVNAPOHHZVRW-GQCTYLIASA-N 2 2 334.291 2.346 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)/C=C/C=C(Cl)Cl ZINC000900693551 1234668697 /nfs/dbraw/zinc/66/86/97/1234668697.db2.gz WNTVNAPOHHZVRW-GQCTYLIASA-N 2 2 334.291 2.346 10 0 EEAELP [NH2+]=C(NOCCc1ccns1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000902326116 1237407276 /nfs/dbraw/zinc/40/72/76/1237407276.db2.gz UXOZIVDAZIZXND-INIZCTEOSA-N 2 2 346.456 2.085 10 0 EEAELP [NH2+]=C(NOCCc1ccns1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000902326116 1237407277 /nfs/dbraw/zinc/40/72/77/1237407277.db2.gz UXOZIVDAZIZXND-INIZCTEOSA-N 2 2 346.456 2.085 10 0 EEAELP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000903902776 1242409705 /nfs/dbraw/zinc/40/97/05/1242409705.db2.gz CBMMJJSBJPPVDS-GDBMZVCRSA-N 2 2 329.448 2.491 10 0 EEAELP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@H](C)c1cccc(O)c1 ZINC000903902776 1242409714 /nfs/dbraw/zinc/40/97/14/1242409714.db2.gz CBMMJJSBJPPVDS-GDBMZVCRSA-N 2 2 329.448 2.491 10 0 EEAELP COCCC[NH2+]C1CCC(NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001491356870 1258990625 /nfs/dbraw/zinc/99/06/25/1258990625.db2.gz VUKFYZFGJSIPDA-UHFFFAOYSA-N 2 2 330.432 2.230 10 0 EEAELP CCC/C=C\CC[NH+]1CC2(C1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC001273624217 1281585992 /nfs/dbraw/zinc/58/59/92/1281585992.db2.gz QOTOROKWUDMQMI-SREVYHEPSA-N 2 2 349.519 2.130 10 0 EEAELP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001488778298 1290188737 /nfs/dbraw/zinc/18/87/37/1290188737.db2.gz ACUPSMUTVYTEBX-WCXIOVBPSA-N 2 2 348.491 2.032 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCC(F)(F)F ZINC001490335053 1291226705 /nfs/dbraw/zinc/22/67/05/1291226705.db2.gz LOEQACCTIBDWIO-CYBMUJFWSA-N 2 2 346.397 2.226 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCC(F)(F)F ZINC001490335053 1291226716 /nfs/dbraw/zinc/22/67/16/1291226716.db2.gz LOEQACCTIBDWIO-CYBMUJFWSA-N 2 2 346.397 2.226 10 0 EEAELP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001490666432 1291548567 /nfs/dbraw/zinc/54/85/67/1291548567.db2.gz DCRVUYACQFZZAS-PBHICJAKSA-N 2 2 332.492 2.292 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC001490746302 1291659703 /nfs/dbraw/zinc/65/97/03/1291659703.db2.gz ZBKQTWANNQYQPB-QGZVFWFLSA-N 2 2 338.411 2.314 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001490762267 1291692552 /nfs/dbraw/zinc/69/25/52/1291692552.db2.gz HZVYXVQPXVANMM-DLBZAZTESA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001490762267 1291692555 /nfs/dbraw/zinc/69/25/55/1291692555.db2.gz HZVYXVQPXVANMM-DLBZAZTESA-N 2 2 332.492 2.272 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852008909 1291952303 /nfs/dbraw/zinc/95/23/03/1291952303.db2.gz JTGWYCMVQYDZRE-IEBWSBKVSA-N 2 2 336.451 2.354 10 0 EEAELP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000852008909 1291952310 /nfs/dbraw/zinc/95/23/10/1291952310.db2.gz JTGWYCMVQYDZRE-IEBWSBKVSA-N 2 2 336.451 2.354 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000852122662 1292000029 /nfs/dbraw/zinc/00/00/29/1292000029.db2.gz PJMFXHLXKVLXCB-SFHVURJKSA-N 2 2 338.467 2.240 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCc2cccc(F)c2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001278332932 1309520177 /nfs/dbraw/zinc/52/01/77/1309520177.db2.gz AVTBLLGFXYHOQP-MAUKXSAKSA-N 2 2 344.434 2.234 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@@H+]1CCCCC(F)(F)F ZINC001264168430 1322647220 /nfs/dbraw/zinc/64/72/20/1322647220.db2.gz ULRNNZYVQYJHRY-OCCSQVGLSA-N 2 2 346.397 2.274 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)Cc2c[nH+]cn2C)CC[N@H+]1CCCCC(F)(F)F ZINC001264168430 1322647224 /nfs/dbraw/zinc/64/72/24/1322647224.db2.gz ULRNNZYVQYJHRY-OCCSQVGLSA-N 2 2 346.397 2.274 10 0 EEAELP CCCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001264191748 1322658498 /nfs/dbraw/zinc/65/84/98/1322658498.db2.gz XKUPQIIKZLBMAU-UHFFFAOYSA-N 2 2 347.488 2.273 10 0 EEAELP O=C(NC[C@H]1C[C@@H]([NH2+]CCCCCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001264395415 1322689739 /nfs/dbraw/zinc/68/97/39/1322689739.db2.gz TYJZGTNYNJOEGX-OAGGEKHMSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCCCC1CCOCC1 ZINC001264735192 1322795488 /nfs/dbraw/zinc/79/54/88/1322795488.db2.gz UFLORGUDTWUCGM-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCCCC1CCOCC1 ZINC001264735192 1322795494 /nfs/dbraw/zinc/79/54/94/1322795494.db2.gz UFLORGUDTWUCGM-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001265806416 1323389878 /nfs/dbraw/zinc/38/98/78/1323389878.db2.gz DHTBVHWJPMBFFZ-CQSZACIVSA-N 2 2 325.416 2.049 10 0 EEAELP Cc1cc(C[N@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)no1 ZINC001276625195 1324861935 /nfs/dbraw/zinc/86/19/35/1324861935.db2.gz SMGODSWNMICVEQ-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)no1 ZINC001276625195 1324861941 /nfs/dbraw/zinc/86/19/41/1324861941.db2.gz SMGODSWNMICVEQ-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)no1 ZINC001282128844 1325629932 /nfs/dbraw/zinc/62/99/32/1325629932.db2.gz OMCUILJCZIJPJD-KGLIPLIRSA-N 2 2 341.415 2.236 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)no1 ZINC001282128846 1325630237 /nfs/dbraw/zinc/63/02/37/1325630237.db2.gz OMCUILJCZIJPJD-ZIAGYGMSSA-N 2 2 341.415 2.236 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284028783 1326370006 /nfs/dbraw/zinc/37/00/06/1326370006.db2.gz BMDDPZLWSLDALO-HKUYNNGSSA-N 2 2 340.471 2.403 10 0 EEAELP C[C@H](CC(=O)NC[C@H](C)[NH2+]CCc1ccccc1F)n1cc[nH+]c1 ZINC001491594842 1330178141 /nfs/dbraw/zinc/17/81/41/1330178141.db2.gz KDZLCBSLGZMIRK-LSDHHAIUSA-N 2 2 332.423 2.310 10 0 EEAELP Cc1ncc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)C2)o1 ZINC001491895626 1330293803 /nfs/dbraw/zinc/29/38/03/1330293803.db2.gz HPZLWQHQSVRCDS-JKSUJKDBSA-N 2 2 345.447 2.177 10 0 EEAELP Cc1conc1C[N@@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001491965246 1330359954 /nfs/dbraw/zinc/35/99/54/1330359954.db2.gz IKYGIJPRHFFJOG-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1conc1C[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001491965246 1330359957 /nfs/dbraw/zinc/35/99/57/1330359957.db2.gz IKYGIJPRHFFJOG-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001316863869 1331768438 /nfs/dbraw/zinc/76/84/38/1331768438.db2.gz AOGHVEULDJPPFB-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)CCc2c[nH+]cn2C)cc1 ZINC001316863869 1331768440 /nfs/dbraw/zinc/76/84/40/1331768440.db2.gz AOGHVEULDJPPFB-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@H+](CCCCC(F)(F)F)C1 ZINC001316955479 1332014451 /nfs/dbraw/zinc/01/44/51/1332014451.db2.gz RXRVUYBMQKDEOV-CYBMUJFWSA-N 2 2 346.397 2.276 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[N@@H+](CCCCC(F)(F)F)C1 ZINC001316955479 1332014453 /nfs/dbraw/zinc/01/44/53/1332014453.db2.gz RXRVUYBMQKDEOV-CYBMUJFWSA-N 2 2 346.397 2.276 10 0 EEAELP O=C(NCCC[C@@H]1CCC[N@H+]1CCCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001317427122 1332230879 /nfs/dbraw/zinc/23/08/79/1332230879.db2.gz JXJGWLBXYGHJLZ-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NCCC[C@@H]1CCC[N@@H+]1CCCF)[C@H]1CCc2c[nH+]cn2C1 ZINC001317427122 1332230880 /nfs/dbraw/zinc/23/08/80/1332230880.db2.gz JXJGWLBXYGHJLZ-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)Cc1c[nH+]cn1C ZINC001317652648 1332350511 /nfs/dbraw/zinc/35/05/11/1332350511.db2.gz BIVWPARWSTZNDX-UHFFFAOYSA-N 2 2 328.460 2.334 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)Cn1cc[nH+]c1 ZINC001317666825 1332360327 /nfs/dbraw/zinc/36/03/27/1332360327.db2.gz JGXNQBTWRRBZSR-UHFFFAOYSA-N 2 2 328.460 2.429 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001318927587 1332625081 /nfs/dbraw/zinc/62/50/81/1332625081.db2.gz AAQZAZDQQBFIFW-PBHICJAKSA-N 2 2 348.491 2.046 10 0 EEAELP CCN(CC[NH2+]Cc1csc(C2CC2)n1)C(=O)Cn1cc[nH+]c1C ZINC001320921457 1332979321 /nfs/dbraw/zinc/97/93/21/1332979321.db2.gz RUVVOKZBRNLSJC-UHFFFAOYSA-N 2 2 347.488 2.164 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]C[C@@H]3CCCCO3)ccn12 ZINC001321065456 1333009402 /nfs/dbraw/zinc/00/94/02/1333009402.db2.gz TUOHMBVAEJYYNE-IDOMTICXSA-N 2 2 342.443 2.087 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)Cc1[nH]cc[nH+]1)c1ccc(F)c(F)c1 ZINC001321306938 1333070009 /nfs/dbraw/zinc/07/00/09/1333070009.db2.gz KBEITKRJIQASTR-JDGPPOGSSA-N 2 2 334.370 2.254 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCOC2CCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001324100615 1333609756 /nfs/dbraw/zinc/60/97/56/1333609756.db2.gz GGNBHHHANWMESO-IRXDYDNUSA-N 2 2 348.491 2.202 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001324262470 1333645305 /nfs/dbraw/zinc/64/53/05/1333645305.db2.gz FXONSHCYVXPMLZ-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001326369037 1334077905 /nfs/dbraw/zinc/07/79/05/1334077905.db2.gz KFLBOGCPEIODSE-GGQLTLKSSA-N 2 2 331.247 2.099 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001329166664 1334598304 /nfs/dbraw/zinc/59/83/04/1334598304.db2.gz IHVRNRFPOCSVOP-UONOGXRCSA-N 2 2 339.443 2.127 10 0 EEAELP C[N@H+](CCOCC1CCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001331029184 1334948596 /nfs/dbraw/zinc/94/85/96/1334948596.db2.gz NRLBAKWLYKLVGE-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CCOCC1CCC1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001331029184 1334948597 /nfs/dbraw/zinc/94/85/97/1334948597.db2.gz NRLBAKWLYKLVGE-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@H+](CCOCC1CCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001331029184 1334948598 /nfs/dbraw/zinc/94/85/98/1334948598.db2.gz NRLBAKWLYKLVGE-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CCOCC1CCC1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001331029184 1334948603 /nfs/dbraw/zinc/94/86/03/1334948603.db2.gz NRLBAKWLYKLVGE-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001332320136 1335800937 /nfs/dbraw/zinc/80/09/37/1335800937.db2.gz FDWPHGDRBPWBPY-IRXDYDNUSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001669162679 1356112641 /nfs/dbraw/zinc/11/26/41/1356112641.db2.gz QDZHMAYOBCZUPX-NSCUHMNNSA-N 2 2 338.455 2.212 10 0 EEAELP CC1([NH+]2CCCC2)CCC(NC(=O)NCc2ccc[nH+]c2N)CC1 ZINC001434832528 1341955746 /nfs/dbraw/zinc/95/57/46/1341955746.db2.gz CJVMKDKLZCGPOB-UHFFFAOYSA-N 2 2 331.464 2.260 10 0 EEAELP Cc1ncoc1C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480380227 1342095685 /nfs/dbraw/zinc/09/56/85/1342095685.db2.gz QYTFYSRWUREFMZ-DZGCQCFKSA-N 2 2 345.447 2.056 10 0 EEAELP Cc1ncoc1C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001480380227 1342095689 /nfs/dbraw/zinc/09/56/89/1342095689.db2.gz QYTFYSRWUREFMZ-DZGCQCFKSA-N 2 2 345.447 2.056 10 0 EEAELP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001500295041 1342141310 /nfs/dbraw/zinc/14/13/10/1342141310.db2.gz GJUOHZBZJOTRMC-PKOBYXMFSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@@]1(NC(=O)CCCn2cc[nH+]c2)CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001500295041 1342141311 /nfs/dbraw/zinc/14/13/11/1342141311.db2.gz GJUOHZBZJOTRMC-PKOBYXMFSA-N 2 2 348.491 2.203 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001505716791 1342238574 /nfs/dbraw/zinc/23/85/74/1342238574.db2.gz LOGMHUCOGFUVMQ-KBPBESRZSA-N 2 2 329.448 2.154 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001566896681 1342648210 /nfs/dbraw/zinc/64/82/10/1342648210.db2.gz IRSWIVUBSYECKD-INIZCTEOSA-N 2 2 331.460 2.261 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001567519906 1342777064 /nfs/dbraw/zinc/77/70/64/1342777064.db2.gz DSCLCADMQAJXHR-KRZKXXONSA-N 2 2 338.455 2.207 10 0 EEAELP Cc1cnc(C[NH+]2CC=C(CNC(=O)C[N@H+]3CC[C@H](C)C3)CC2)s1 ZINC001571695238 1343277050 /nfs/dbraw/zinc/27/70/50/1343277050.db2.gz HZWOBRLMNOVICD-AWEZNQCLSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1cnc(C[NH+]2CC=C(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)s1 ZINC001571695238 1343277053 /nfs/dbraw/zinc/27/70/53/1343277053.db2.gz HZWOBRLMNOVICD-AWEZNQCLSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)C[NH+]3CC[C@H](C)C3)CC2)s1 ZINC001571695238 1343277055 /nfs/dbraw/zinc/27/70/55/1343277055.db2.gz HZWOBRLMNOVICD-AWEZNQCLSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3CC[C@H](C)C3)CC2)s1 ZINC001571695238 1343277057 /nfs/dbraw/zinc/27/70/57/1343277057.db2.gz HZWOBRLMNOVICD-AWEZNQCLSA-N 2 2 348.516 2.042 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001676819621 1357212474 /nfs/dbraw/zinc/21/24/74/1357212474.db2.gz AFXXEQZQFWHMJU-PKVWGGKHSA-N 2 2 330.476 2.432 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@@H]12 ZINC001676819621 1357212477 /nfs/dbraw/zinc/21/24/77/1357212477.db2.gz AFXXEQZQFWHMJU-PKVWGGKHSA-N 2 2 330.476 2.432 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001676958908 1357249489 /nfs/dbraw/zinc/24/94/89/1357249489.db2.gz OZHXHUACSUULKD-GHMZBOCLSA-N 2 2 331.247 2.146 10 0 EEAELP CC(C)CC[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2)c(F)c1 ZINC001677648452 1357383041 /nfs/dbraw/zinc/38/30/41/1357383041.db2.gz QNSYGORRJKCWKK-UHFFFAOYSA-N 2 2 332.423 2.474 10 0 EEAELP Cc1cc[nH+]c(N2CCN(C(=O)Nc3cc(C)[nH+]c(C)c3)CC2)c1 ZINC001649731243 1353576920 /nfs/dbraw/zinc/57/69/20/1353576920.db2.gz XGPLUTIRIQQBDL-UHFFFAOYSA-N 2 2 325.416 2.178 10 0 EEAELP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC001649917132 1353648725 /nfs/dbraw/zinc/64/87/25/1353648725.db2.gz OSDDFWIRQXVDIB-IEBWSBKVSA-N 2 2 338.455 2.287 10 0 EEAELP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC001649917132 1353648727 /nfs/dbraw/zinc/64/87/27/1353648727.db2.gz OSDDFWIRQXVDIB-IEBWSBKVSA-N 2 2 338.455 2.287 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001656309556 1354222647 /nfs/dbraw/zinc/22/26/47/1354222647.db2.gz RTVYYDWWULGMIZ-DOTOQJQBSA-N 2 2 331.460 2.473 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)Cc1ccccc1C ZINC001660613803 1354501728 /nfs/dbraw/zinc/50/17/28/1354501728.db2.gz HEPQYXAHTBBDKH-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)Cc1ccccc1C ZINC001660613803 1354501732 /nfs/dbraw/zinc/50/17/32/1354501732.db2.gz HEPQYXAHTBBDKH-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001661554696 1354656484 /nfs/dbraw/zinc/65/64/84/1354656484.db2.gz FBTSUYFMCPWEEI-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP CCOCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001661554696 1354656489 /nfs/dbraw/zinc/65/64/89/1354656489.db2.gz FBTSUYFMCPWEEI-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001662845813 1354863508 /nfs/dbraw/zinc/86/35/08/1354863508.db2.gz RPDGPADRPDWDMC-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP CCOCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001662845813 1354863514 /nfs/dbraw/zinc/86/35/14/1354863514.db2.gz RPDGPADRPDWDMC-OAHLLOKOSA-N 2 2 330.432 2.136 10 0 EEAELP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001663536918 1354982193 /nfs/dbraw/zinc/98/21/93/1354982193.db2.gz GVZGVVLGOYMQNH-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001663536918 1354982196 /nfs/dbraw/zinc/98/21/96/1354982196.db2.gz GVZGVVLGOYMQNH-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001663536918 1354982198 /nfs/dbraw/zinc/98/21/98/1354982198.db2.gz GVZGVVLGOYMQNH-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001663536918 1354982200 /nfs/dbraw/zinc/98/22/00/1354982200.db2.gz GVZGVVLGOYMQNH-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]Cc2c(C)nsc2C)c[nH+]1 ZINC001664009303 1355073320 /nfs/dbraw/zinc/07/33/20/1355073320.db2.gz UTGVIRXWACNTBD-UHFFFAOYSA-N 2 2 349.504 2.248 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001664190711 1355110668 /nfs/dbraw/zinc/11/06/68/1355110668.db2.gz LSODOIRPKXGXOQ-QZTJIDSGSA-N 2 2 340.471 2.204 10 0 EEAELP C[C@@H](CC(=O)NC1(C[NH2+]CC[C@@H]2CCCO2)CCCC1)n1cc[nH+]c1 ZINC001665951631 1355414776 /nfs/dbraw/zinc/41/47/76/1355414776.db2.gz JZEJUZNUCROJSD-IRXDYDNUSA-N 2 2 348.491 2.422 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001666563778 1355545295 /nfs/dbraw/zinc/54/52/95/1355545295.db2.gz VQCFUZADMVGPQZ-MRVWCRGKSA-N 2 2 347.850 2.104 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001666563778 1355545300 /nfs/dbraw/zinc/54/53/00/1355545300.db2.gz VQCFUZADMVGPQZ-MRVWCRGKSA-N 2 2 347.850 2.104 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001666563777 1355545728 /nfs/dbraw/zinc/54/57/28/1355545728.db2.gz VQCFUZADMVGPQZ-IACUBPJLSA-N 2 2 347.850 2.104 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]Cc1ccnc(Cl)c1 ZINC001666563777 1355545731 /nfs/dbraw/zinc/54/57/31/1355545731.db2.gz VQCFUZADMVGPQZ-IACUBPJLSA-N 2 2 347.850 2.104 10 0 EEAELP CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001667729804 1355799292 /nfs/dbraw/zinc/79/92/92/1355799292.db2.gz UGLNAFGNIVQONS-RDJZCZTQSA-N 2 2 332.492 2.437 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)CCn1cc[nH+]c1 ZINC001668512795 1355955327 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ZZIYJZOMLHUWMX-MJGOQNOKSA-N 2 2 348.491 2.202 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12 ZINC001449028328 1094035930 /nfs/dbraw/zinc/03/59/30/1094035930.db2.gz ZZIYJZOMLHUWMX-MJGOQNOKSA-N 2 2 348.491 2.202 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001440811922 1094061990 /nfs/dbraw/zinc/06/19/90/1094061990.db2.gz MMRDKAIBPVVZAF-HZPDHXFCSA-N 2 2 328.460 2.344 10 0 EEAELP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441028659 1094318046 /nfs/dbraw/zinc/31/80/46/1094318046.db2.gz UDINGGGCRWFYFA-AWEZNQCLSA-N 2 2 334.851 2.482 10 0 EEAELP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001441028659 1094318054 /nfs/dbraw/zinc/31/80/54/1094318054.db2.gz UDINGGGCRWFYFA-AWEZNQCLSA-N 2 2 334.851 2.482 10 0 EEAELP Cc1cncc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001441375321 1094911141 /nfs/dbraw/zinc/91/11/41/1094911141.db2.gz YTJVIAPDKORMST-BQFCYCMXSA-N 2 2 341.459 2.222 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001441611119 1095470668 /nfs/dbraw/zinc/47/06/68/1095470668.db2.gz ASVNBXZQAMHGPO-FIKOHSHLSA-N 2 2 331.247 2.030 10 0 EEAELP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001441866432 1095974751 /nfs/dbraw/zinc/97/47/51/1095974751.db2.gz GQCNNMATOLPKSB-IAGOWNOFSA-N 2 2 340.471 2.357 10 0 EEAELP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1nccs1)CC2)[NH+](C)C ZINC001441890291 1096024596 /nfs/dbraw/zinc/02/45/96/1096024596.db2.gz XFYWXXHZLREHEZ-JKIFEVAISA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1nccs1)CC2)[NH+](C)C ZINC001441890291 1096024607 /nfs/dbraw/zinc/02/46/07/1096024607.db2.gz XFYWXXHZLREHEZ-JKIFEVAISA-N 2 2 336.505 2.097 10 0 EEAELP COC[C@H](C)[NH2+][C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001441913281 1096089134 /nfs/dbraw/zinc/08/91/34/1096089134.db2.gz ASGNLYMTCIESMP-BBRMVZONSA-N 2 2 344.459 2.118 10 0 EEAELP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001442243853 1096545725 /nfs/dbraw/zinc/54/57/25/1096545725.db2.gz QNELRBKZCOAUES-UQPPLGOBSA-N 2 2 332.492 2.461 10 0 EEAELP Cc1cc(C[NH2+]C2CC(N(C)C(=O)CCCn3cc[nH+]c3)C2)sn1 ZINC001442260068 1096563108 /nfs/dbraw/zinc/56/31/08/1096563108.db2.gz OOGPSLOLNAFEKL-UHFFFAOYSA-N 2 2 347.488 2.207 10 0 EEAELP CC[C@H](C[NH+]1CCC(C2(NC(=O)Cc3[nH]c[nH+]c3C)CC2)CC1)OC ZINC001442270232 1096575262 /nfs/dbraw/zinc/57/52/62/1096575262.db2.gz VIWJIMROEZVTEX-MRXNPFEDSA-N 2 2 348.491 2.046 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001442336380 1096658914 /nfs/dbraw/zinc/65/89/14/1096658914.db2.gz NRCDKUGVJAKXHR-SJKOYZFVSA-N 2 2 348.397 2.333 10 0 EEAELP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001443114537 1097529897 /nfs/dbraw/zinc/52/98/97/1097529897.db2.gz AEMZLOMMIDIMHH-USXIJHARSA-N 2 2 332.492 2.396 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001443190490 1097636042 /nfs/dbraw/zinc/63/60/42/1097636042.db2.gz JFWZBFWZXCCNEH-CVEARBPZSA-N 2 2 336.480 2.309 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001443190490 1097636045 /nfs/dbraw/zinc/63/60/45/1097636045.db2.gz JFWZBFWZXCCNEH-CVEARBPZSA-N 2 2 336.480 2.309 10 0 EEAELP CC[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CCC(C)C ZINC001443927834 1098447387 /nfs/dbraw/zinc/44/73/87/1098447387.db2.gz CLNZNTWSQWZFJD-WMLDXEAASA-N 2 2 335.496 2.321 10 0 EEAELP CC[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CCC(C)C ZINC001443927834 1098447389 /nfs/dbraw/zinc/44/73/89/1098447389.db2.gz CLNZNTWSQWZFJD-WMLDXEAASA-N 2 2 335.496 2.321 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001479489114 1098562056 /nfs/dbraw/zinc/56/20/56/1098562056.db2.gz SIBIVGSOBDKXDL-NWDGAFQWSA-N 2 2 332.370 2.088 10 0 EEAELP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001480079323 1099624603 /nfs/dbraw/zinc/62/46/03/1099624603.db2.gz KDOKLEWDLNSAIO-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001480079323 1099624608 /nfs/dbraw/zinc/62/46/08/1099624608.db2.gz KDOKLEWDLNSAIO-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001480174801 1099755433 /nfs/dbraw/zinc/75/54/33/1099755433.db2.gz JRDYELPMQIPHTG-IYARVYRRSA-N 2 2 326.444 2.143 10 0 EEAELP CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001444829053 1099775482 /nfs/dbraw/zinc/77/54/82/1099775482.db2.gz LGXVZZDKAGYYBM-HOTGVXAUSA-N 2 2 332.492 2.389 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001480217432 1099833189 /nfs/dbraw/zinc/83/31/89/1099833189.db2.gz TUKURGUUNMHNAJ-IYBDPMFKSA-N 2 2 332.835 2.364 10 0 EEAELP Cc1ccncc1C[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001444908434 1099978327 /nfs/dbraw/zinc/97/83/27/1099978327.db2.gz DULZVRNJHUJJNY-CRAIPNDOSA-N 2 2 343.475 2.222 10 0 EEAELP Cc1ccncc1C[NH2+][C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001444908434 1099978335 /nfs/dbraw/zinc/97/83/35/1099978335.db2.gz DULZVRNJHUJJNY-CRAIPNDOSA-N 2 2 343.475 2.222 10 0 EEAELP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001480489132 1100298757 /nfs/dbraw/zinc/29/87/57/1100298757.db2.gz DEUYVGZEPZJDSF-MAUKXSAKSA-N 2 2 340.471 2.302 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001480546728 1100381533 /nfs/dbraw/zinc/38/15/33/1100381533.db2.gz SAFBIEVBCBHVSB-RYUDHWBXSA-N 2 2 335.477 2.202 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001495116464 1100772688 /nfs/dbraw/zinc/77/26/88/1100772688.db2.gz HLEIPQNOAZIKNQ-GOSISDBHSA-N 2 2 326.444 2.445 10 0 EEAELP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001495170373 1100844650 /nfs/dbraw/zinc/84/46/50/1100844650.db2.gz ZYGIWQUJZWKNGR-HUUCEWRRSA-N 2 2 336.455 2.212 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001446615759 1101119316 /nfs/dbraw/zinc/11/93/16/1101119316.db2.gz NXTNIRPZXRVDMU-GOSISDBHSA-N 2 2 345.447 2.023 10 0 EEAELP CC[C@H](F)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001495521048 1101233776 /nfs/dbraw/zinc/23/37/76/1101233776.db2.gz QOYLWIDXVLUWQX-ARFHVFGLSA-N 2 2 336.455 2.480 10 0 EEAELP CC[C@H](F)C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001495521048 1101233785 /nfs/dbraw/zinc/23/37/85/1101233785.db2.gz QOYLWIDXVLUWQX-ARFHVFGLSA-N 2 2 336.455 2.480 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496796714 1101486266 /nfs/dbraw/zinc/48/62/66/1101486266.db2.gz KZSPWSCLGBVQIO-AEFFLSMTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496796714 1101486273 /nfs/dbraw/zinc/48/62/73/1101486273.db2.gz KZSPWSCLGBVQIO-AEFFLSMTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001496796714 1101486276 /nfs/dbraw/zinc/48/62/76/1101486276.db2.gz KZSPWSCLGBVQIO-AEFFLSMTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001496796714 1101486280 /nfs/dbraw/zinc/48/62/80/1101486280.db2.gz KZSPWSCLGBVQIO-AEFFLSMTSA-N 2 2 348.491 2.144 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001496860890 1101623693 /nfs/dbraw/zinc/62/36/93/1101623693.db2.gz QZPNXSRFNOPQDS-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001496860890 1101623697 /nfs/dbraw/zinc/62/36/97/1101623697.db2.gz QZPNXSRFNOPQDS-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001496860892 1101625276 /nfs/dbraw/zinc/62/52/76/1101625276.db2.gz QZPNXSRFNOPQDS-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H]2CN(C(=O)CCn3cc[nH+]c3)CC[C@@H]21 ZINC001496860892 1101625282 /nfs/dbraw/zinc/62/52/82/1101625282.db2.gz QZPNXSRFNOPQDS-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001496888708 1101670635 /nfs/dbraw/zinc/67/06/35/1101670635.db2.gz PMIFIGOUEQNVEI-GDBMZVCRSA-N 2 2 332.473 2.479 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001496888708 1101670640 /nfs/dbraw/zinc/67/06/40/1101670640.db2.gz PMIFIGOUEQNVEI-GDBMZVCRSA-N 2 2 332.473 2.479 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2ncc(C)s2)c[nH+]1 ZINC001497207598 1102128462 /nfs/dbraw/zinc/12/84/62/1102128462.db2.gz FKMQZVJALDHYNL-GFCCVEGCSA-N 2 2 349.504 2.376 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1ccccc1 ZINC001447885849 1103517246 /nfs/dbraw/zinc/51/72/46/1103517246.db2.gz QPELMULWNSKGRP-JKSUJKDBSA-N 2 2 341.455 2.358 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001447932831 1103633584 /nfs/dbraw/zinc/63/35/84/1103633584.db2.gz ZSIHXWCQWRDNLY-JKSUJKDBSA-N 2 2 328.460 2.344 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001448046936 1103889762 /nfs/dbraw/zinc/88/97/62/1103889762.db2.gz OANKLDBZKYYFGR-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001448046936 1103889776 /nfs/dbraw/zinc/88/97/76/1103889776.db2.gz OANKLDBZKYYFGR-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP COCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001448117352 1104044620 /nfs/dbraw/zinc/04/46/20/1104044620.db2.gz FYKZURJRMVINEH-CQSZACIVSA-N 2 2 344.459 2.044 10 0 EEAELP COCc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001448117352 1104044630 /nfs/dbraw/zinc/04/46/30/1104044630.db2.gz FYKZURJRMVINEH-CQSZACIVSA-N 2 2 344.459 2.044 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1cc(-c2ccco2)on1 ZINC001448146367 1104107456 /nfs/dbraw/zinc/10/74/56/1104107456.db2.gz SKMJUOFDOXBFGA-CQSZACIVSA-N 2 2 348.447 2.211 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1cc(-c2ccco2)on1 ZINC001448146367 1104107464 /nfs/dbraw/zinc/10/74/64/1104107464.db2.gz SKMJUOFDOXBFGA-CQSZACIVSA-N 2 2 348.447 2.211 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(-c2ccco2)on1 ZINC001448146367 1104107468 /nfs/dbraw/zinc/10/74/68/1104107468.db2.gz SKMJUOFDOXBFGA-CQSZACIVSA-N 2 2 348.447 2.211 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(-c2ccco2)on1 ZINC001448146367 1104107476 /nfs/dbraw/zinc/10/74/76/1104107476.db2.gz SKMJUOFDOXBFGA-CQSZACIVSA-N 2 2 348.447 2.211 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1nccs1 ZINC001448253794 1104250850 /nfs/dbraw/zinc/25/08/50/1104250850.db2.gz DZMGOXUNBAQXOU-OAHLLOKOSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1nccs1 ZINC001448253794 1104250859 /nfs/dbraw/zinc/25/08/59/1104250859.db2.gz DZMGOXUNBAQXOU-OAHLLOKOSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1nccs1 ZINC001448253794 1104250867 /nfs/dbraw/zinc/25/08/67/1104250867.db2.gz DZMGOXUNBAQXOU-OAHLLOKOSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCCC[N@H+]1Cc1nccs1 ZINC001448253794 1104250876 /nfs/dbraw/zinc/25/08/76/1104250876.db2.gz DZMGOXUNBAQXOU-OAHLLOKOSA-N 2 2 338.521 2.344 10 0 EEAELP Cc1ccc(F)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+](C)C(C)C)c1 ZINC001494685965 1104275598 /nfs/dbraw/zinc/27/55/98/1104275598.db2.gz PFBZCLCMDUVVNV-IRXDYDNUSA-N 2 2 333.451 2.259 10 0 EEAELP Cc1ccc(F)c(C[NH+]2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+](C)C(C)C)c1 ZINC001494685965 1104275604 /nfs/dbraw/zinc/27/56/04/1104275604.db2.gz PFBZCLCMDUVVNV-IRXDYDNUSA-N 2 2 333.451 2.259 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C(C)C)c1 ZINC001494685965 1104275608 /nfs/dbraw/zinc/27/56/08/1104275608.db2.gz PFBZCLCMDUVVNV-IRXDYDNUSA-N 2 2 333.451 2.259 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+](C)C(C)C)c1 ZINC001494685965 1104275615 /nfs/dbraw/zinc/27/56/15/1104275615.db2.gz PFBZCLCMDUVVNV-IRXDYDNUSA-N 2 2 333.451 2.259 10 0 EEAELP Cc1nc(C[NH+]2CCCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)co1 ZINC001448265980 1104280217 /nfs/dbraw/zinc/28/02/17/1104280217.db2.gz ZBMJGVHOEKIWQC-KRWDZBQOSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1nc(C[NH+]2CCCCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)co1 ZINC001448265980 1104280222 /nfs/dbraw/zinc/28/02/22/1104280222.db2.gz ZBMJGVHOEKIWQC-KRWDZBQOSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1nc(C[N@@H+]2CCCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)co1 ZINC001448265980 1104280231 /nfs/dbraw/zinc/28/02/31/1104280231.db2.gz ZBMJGVHOEKIWQC-KRWDZBQOSA-N 2 2 336.480 2.184 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC001494793837 1104379125 /nfs/dbraw/zinc/37/91/25/1104379125.db2.gz REJZXZBRAYCEOP-GOSISDBHSA-N 2 2 348.466 2.177 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1 ZINC001494793837 1104379136 /nfs/dbraw/zinc/37/91/36/1104379136.db2.gz REJZXZBRAYCEOP-GOSISDBHSA-N 2 2 348.466 2.177 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001495078770 1104716975 /nfs/dbraw/zinc/71/69/75/1104716975.db2.gz COSIPQDPGWKOGA-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1c(F)cccc1F ZINC001480603489 1106754203 /nfs/dbraw/zinc/75/42/03/1106754203.db2.gz VEAPULQVNGVQJA-CYBMUJFWSA-N 2 2 336.386 2.236 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001498287432 1107220078 /nfs/dbraw/zinc/22/00/78/1107220078.db2.gz GVIDOKMAFWGZFI-PBHICJAKSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001498287432 1107220085 /nfs/dbraw/zinc/22/00/85/1107220085.db2.gz GVIDOKMAFWGZFI-PBHICJAKSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001498287432 1107220097 /nfs/dbraw/zinc/22/00/97/1107220097.db2.gz GVIDOKMAFWGZFI-PBHICJAKSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001498287432 1107220102 /nfs/dbraw/zinc/22/01/02/1107220102.db2.gz GVIDOKMAFWGZFI-PBHICJAKSA-N 2 2 333.480 2.193 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)Cc1ocnc1C ZINC001493062550 1107423390 /nfs/dbraw/zinc/42/33/90/1107423390.db2.gz PFPJLYCZOIJYHM-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)Cc1ocnc1C ZINC001493062550 1107423395 /nfs/dbraw/zinc/42/33/95/1107423395.db2.gz PFPJLYCZOIJYHM-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1ccncc1C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498393115 1107443337 /nfs/dbraw/zinc/44/33/37/1107443337.db2.gz QIKZOYGRRYQQRN-CVEARBPZSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ccncc1C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498393115 1107443340 /nfs/dbraw/zinc/44/33/40/1107443340.db2.gz QIKZOYGRRYQQRN-CVEARBPZSA-N 2 2 329.448 2.174 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CCC[NH2+]Cc1ccccc1F ZINC001498588483 1107768219 /nfs/dbraw/zinc/76/82/19/1107768219.db2.gz UQFLOBMSTXYFGQ-UHFFFAOYSA-N 2 2 345.418 2.410 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001498620166 1107824920 /nfs/dbraw/zinc/82/49/20/1107824920.db2.gz HUXXQRPNLDJXPQ-UKRRQHHQSA-N 2 2 333.436 2.330 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001493605483 1108391983 /nfs/dbraw/zinc/39/19/83/1108391983.db2.gz YKIJEASNZSSTGE-HNNXBMFYSA-N 2 2 332.473 2.064 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)C2)C1 ZINC001479379859 1110688922 /nfs/dbraw/zinc/68/89/22/1110688922.db2.gz RXYGQFPGICPNDX-FBQYLZLTSA-N 2 2 331.460 2.163 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@@H]2CCCN2C(=O)Cn2cc[nH+]c2)c1 ZINC001499958078 1112556107 /nfs/dbraw/zinc/55/61/07/1112556107.db2.gz MXVKORXWEGRTFR-IBGZPJMESA-N 2 2 340.471 2.405 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001500552756 1112942912 /nfs/dbraw/zinc/94/29/12/1112942912.db2.gz KYESIDFUHJTABD-IEBWSBKVSA-N 2 2 348.491 2.267 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001500552756 1112942914 /nfs/dbraw/zinc/94/29/14/1112942914.db2.gz KYESIDFUHJTABD-IEBWSBKVSA-N 2 2 348.491 2.267 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccon2)C1 ZINC001500552756 1112942916 /nfs/dbraw/zinc/94/29/16/1112942916.db2.gz KYESIDFUHJTABD-IEBWSBKVSA-N 2 2 348.491 2.267 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccon2)C1 ZINC001500552756 1112942917 /nfs/dbraw/zinc/94/29/17/1112942917.db2.gz KYESIDFUHJTABD-IEBWSBKVSA-N 2 2 348.491 2.267 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccon1)[NH+](CC)CC ZINC001501399321 1113343473 /nfs/dbraw/zinc/34/34/73/1113343473.db2.gz FMZAUYPDWJVDDK-SQNIBIBYSA-N 2 2 348.491 2.360 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccon1)[NH+](CC)CC ZINC001501399321 1113343477 /nfs/dbraw/zinc/34/34/77/1113343477.db2.gz FMZAUYPDWJVDDK-SQNIBIBYSA-N 2 2 348.491 2.360 10 0 EEAELP CCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001501427394 1113354489 /nfs/dbraw/zinc/35/44/89/1113354489.db2.gz KIDPPOTZXNWJRL-FUHWJXTLSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]cn3C)[C@@H]2C1 ZINC001501427394 1113354492 /nfs/dbraw/zinc/35/44/92/1113354492.db2.gz KIDPPOTZXNWJRL-FUHWJXTLSA-N 2 2 332.492 2.466 10 0 EEAELP C[C@H](CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccns2)C1)n1cc[nH+]c1 ZINC001501625151 1113404183 /nfs/dbraw/zinc/40/41/83/1113404183.db2.gz DQABYYLRJZSMSA-HUUCEWRRSA-N 2 2 347.488 2.319 10 0 EEAELP C[C@H](CC(=O)N1CC[C@H](CC[NH2+]Cc2ccns2)C1)n1cc[nH+]c1 ZINC001501625149 1113404411 /nfs/dbraw/zinc/40/44/11/1113404411.db2.gz DQABYYLRJZSMSA-CABCVRRESA-N 2 2 347.488 2.319 10 0 EEAELP O=C(NCC1([NH2+]CCCCCF)CCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001501971067 1113543074 /nfs/dbraw/zinc/54/30/74/1113543074.db2.gz OJWOSDGGGXSQSC-OAHLLOKOSA-N 2 2 336.455 2.214 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC3CCOCC3)ccn12 ZINC001505605796 1114081064 /nfs/dbraw/zinc/08/10/64/1114081064.db2.gz JKMRGXIHEXLCEC-HUUCEWRRSA-N 2 2 344.459 2.166 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC001506069914 1114393408 /nfs/dbraw/zinc/39/34/08/1114393408.db2.gz YMRCNMFLJVZEAI-CYBMUJFWSA-N 2 2 336.386 2.457 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC001506069914 1114393410 /nfs/dbraw/zinc/39/34/10/1114393410.db2.gz YMRCNMFLJVZEAI-CYBMUJFWSA-N 2 2 336.386 2.457 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[N@H+](CCOCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001506747941 1114860534 /nfs/dbraw/zinc/86/05/34/1114860534.db2.gz PVULWRKRPQGATK-WBVHZDCISA-N 2 2 348.491 2.087 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[N@@H+](CCOCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001506747941 1114860539 /nfs/dbraw/zinc/86/05/39/1114860539.db2.gz PVULWRKRPQGATK-WBVHZDCISA-N 2 2 348.491 2.087 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@@H]2C(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001506798624 1114885653 /nfs/dbraw/zinc/88/56/53/1114885653.db2.gz XSELIXAWZMOMCH-SEVOWFDESA-N 2 2 342.487 2.096 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@@H]2C(CNC(=O)[C@@H]3CCc4c[nH+]cn4C3)[C@@H]2C1 ZINC001506798624 1114885656 /nfs/dbraw/zinc/88/56/56/1114885656.db2.gz XSELIXAWZMOMCH-SEVOWFDESA-N 2 2 342.487 2.096 10 0 EEAELP Cc1nc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001507132632 1115125652 /nfs/dbraw/zinc/12/56/52/1115125652.db2.gz WADSQCYRTDFQNG-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cs1 ZINC001507132632 1115125656 /nfs/dbraw/zinc/12/56/56/1115125656.db2.gz WADSQCYRTDFQNG-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001507952202 1115379607 /nfs/dbraw/zinc/37/96/07/1115379607.db2.gz OXLHSZIBESGYDN-GFCCVEGCSA-N 2 2 334.386 2.415 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CCC(F)(F)F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001507952202 1115379610 /nfs/dbraw/zinc/37/96/10/1115379610.db2.gz OXLHSZIBESGYDN-GFCCVEGCSA-N 2 2 334.386 2.415 10 0 EEAELP CC[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1nc2ccccc2o1 ZINC001567970051 1124210409 /nfs/dbraw/zinc/21/04/09/1124210409.db2.gz AOUYFRNRWFVCOM-CQSZACIVSA-N 2 2 341.415 2.099 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001568281958 1124402942 /nfs/dbraw/zinc/40/29/42/1124402942.db2.gz ALXYTXAUAUMTGN-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CCCCC(F)(F)F ZINC001568314576 1124416908 /nfs/dbraw/zinc/41/69/08/1124416908.db2.gz OYUUQNVVDQHPMF-LLVKDONJSA-N 2 2 334.386 2.430 10 0 EEAELP CC(C)C[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001568875595 1124901781 /nfs/dbraw/zinc/90/17/81/1124901781.db2.gz LESHZWSJNJMNNV-XLYSIVADSA-N 2 2 332.492 2.390 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001568955405 1124990958 /nfs/dbraw/zinc/99/09/58/1124990958.db2.gz YSGMPGAFHMGPBP-NSCUHMNNSA-N 2 2 337.427 2.204 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]Cc2ccc(F)cn2)c[nH+]1 ZINC001569214187 1125170760 /nfs/dbraw/zinc/17/07/60/1125170760.db2.gz YMJUQIYELGIQRG-UHFFFAOYSA-N 2 2 347.438 2.099 10 0 EEAELP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccncc1 ZINC000051759653 214103902 /nfs/dbraw/zinc/10/39/02/214103902.db2.gz BSUGHZZRNLUCMI-OAHLLOKOSA-N 2 2 345.491 2.000 10 0 EEAELP FC(F)(F)Oc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422799525 240232580 /nfs/dbraw/zinc/23/25/80/240232580.db2.gz XCTSRBDUSNCFPJ-LSDHHAIUSA-N 2 2 330.350 2.442 10 0 EEAELP FC(F)COc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422941031 240301045 /nfs/dbraw/zinc/30/10/45/240301045.db2.gz HMBMVDPAAKUKPJ-WBVHZDCISA-N 2 2 326.387 2.187 10 0 EEAELP Fc1ccc(Br)c(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422947896 240302769 /nfs/dbraw/zinc/30/27/69/240302769.db2.gz QSGZBJPFJFIASA-CABCVRRESA-N 2 2 343.240 2.445 10 0 EEAELP COCCCOc1cc(C)ccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422865877 240265048 /nfs/dbraw/zinc/26/50/48/240265048.db2.gz PRQGPZTVSVZPNC-PMACEKPBSA-N 2 2 348.487 2.267 10 0 EEAELP CCS(=O)(=O)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000446854198 242225811 /nfs/dbraw/zinc/22/58/11/242225811.db2.gz VDVOGNQWARDDOV-UHFFFAOYSA-N 2 2 339.486 2.333 10 0 EEAELP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000344078363 284215814 /nfs/dbraw/zinc/21/58/14/284215814.db2.gz QBAQKIPYBXMOCT-QRQLOZEOSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000344078363 284215817 /nfs/dbraw/zinc/21/58/17/284215817.db2.gz QBAQKIPYBXMOCT-QRQLOZEOSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000344078363 284215822 /nfs/dbraw/zinc/21/58/22/284215822.db2.gz QBAQKIPYBXMOCT-QRQLOZEOSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000344078363 284215825 /nfs/dbraw/zinc/21/58/25/284215825.db2.gz QBAQKIPYBXMOCT-QRQLOZEOSA-N 2 2 345.487 2.001 10 0 EEAELP Cn1nccc1[C@H](CO)[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000459726563 245226479 /nfs/dbraw/zinc/22/64/79/245226479.db2.gz XXKPRDHEGDHJMB-KRWDZBQOSA-N 2 2 348.878 2.361 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000271739229 256239382 /nfs/dbraw/zinc/23/93/82/256239382.db2.gz BTVYJRWOCUKQIX-RDJZCZTQSA-N 2 2 327.432 2.007 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000271739229 256239383 /nfs/dbraw/zinc/23/93/83/256239383.db2.gz BTVYJRWOCUKQIX-RDJZCZTQSA-N 2 2 327.432 2.007 10 0 EEAELP COc1c(C)c[nH+]c(CN(C)C(=O)c2c[nH+]ccc2N(C)C)c1C ZINC000183473315 533410653 /nfs/dbraw/zinc/41/06/53/533410653.db2.gz BRGAFEMGFOSXSG-UHFFFAOYSA-N 2 2 328.416 2.440 10 0 EEAELP CCN(C(=O)[C@@H](C)C[NH3+])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000262479192 152283904 /nfs/dbraw/zinc/28/39/04/152283904.db2.gz ZGHRKSKDGGXWBQ-AWEZNQCLSA-N 2 2 347.507 2.321 10 0 EEAELP CCc1cccc(F)c1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000354126183 153122657 /nfs/dbraw/zinc/12/26/57/153122657.db2.gz VMVLMVHAHCUAIF-SFHVURJKSA-N 2 2 335.467 2.420 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201652 154001694 /nfs/dbraw/zinc/00/16/94/154001694.db2.gz WRKHMXWOVGJBRR-UHFFFAOYSA-N 2 2 342.443 2.256 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000248873487 160365819 /nfs/dbraw/zinc/36/58/19/160365819.db2.gz LAWSEAOGINOXPP-DOTOQJQBSA-N 2 2 336.443 2.125 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1nnc2ccccn21 ZINC000248873487 160365820 /nfs/dbraw/zinc/36/58/20/160365820.db2.gz LAWSEAOGINOXPP-DOTOQJQBSA-N 2 2 336.443 2.125 10 0 EEAELP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003812 159191305 /nfs/dbraw/zinc/19/13/05/159191305.db2.gz RJJBYMZJHDOODI-QZTJIDSGSA-N 2 2 343.471 2.423 10 0 EEAELP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003812 159191307 /nfs/dbraw/zinc/19/13/07/159191307.db2.gz RJJBYMZJHDOODI-QZTJIDSGSA-N 2 2 343.471 2.423 10 0 EEAELP C[NH+](C)[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000105140615 159296832 /nfs/dbraw/zinc/29/68/32/159296832.db2.gz OCRCCHMQMRWIHL-SFHVURJKSA-N 2 2 341.459 2.167 10 0 EEAELP CCOCC[N@H+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000107791610 159336990 /nfs/dbraw/zinc/33/69/90/159336990.db2.gz YMVCAADDQRAMOR-SFHVURJKSA-N 2 2 347.503 2.250 10 0 EEAELP CCOCC[N@@H+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000107791610 159336992 /nfs/dbraw/zinc/33/69/92/159336992.db2.gz YMVCAADDQRAMOR-SFHVURJKSA-N 2 2 347.503 2.250 10 0 EEAELP CCO[C@@H]1C[C@](O)(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000189430797 160141541 /nfs/dbraw/zinc/14/15/41/160141541.db2.gz JZBGNEWDMGPIDP-QUCCMNQESA-N 2 2 347.503 2.202 10 0 EEAELP CC[C@@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000192000856 160165000 /nfs/dbraw/zinc/16/50/00/160165000.db2.gz FNYUTEYHXIEGSP-IEBWSBKVSA-N 2 2 342.487 2.458 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342843650 161095056 /nfs/dbraw/zinc/09/50/56/161095056.db2.gz DAVXRMCDFLMHTI-UHFFFAOYSA-N 2 2 341.459 2.500 10 0 EEAELP CCn1nccc1C[N@H+](CCO)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000355482446 163204798 /nfs/dbraw/zinc/20/47/98/163204798.db2.gz GXCNELRSNMVYTF-UHFFFAOYSA-N 2 2 331.445 2.145 10 0 EEAELP CCn1nccc1C[N@@H+](CCO)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000355482446 163204800 /nfs/dbraw/zinc/20/48/00/163204800.db2.gz GXCNELRSNMVYTF-UHFFFAOYSA-N 2 2 331.445 2.145 10 0 EEAELP C[C@@H](c1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000263184161 287138616 /nfs/dbraw/zinc/13/86/16/287138616.db2.gz HCLIKFITQJYUMY-WFASDCNBSA-N 2 2 339.386 2.016 10 0 EEAELP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000366278719 165707205 /nfs/dbraw/zinc/70/72/05/165707205.db2.gz CQEWNKKMQDCJSY-SFHVURJKSA-N 2 2 347.890 2.326 10 0 EEAELP Cc1ccc(CCC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369275883 166226836 /nfs/dbraw/zinc/22/68/36/166226836.db2.gz ZJZPOWHNABOQQA-SFHVURJKSA-N 2 2 329.488 2.212 10 0 EEAELP Cc1ccc(CCC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369275883 166226839 /nfs/dbraw/zinc/22/68/39/166226839.db2.gz ZJZPOWHNABOQQA-SFHVURJKSA-N 2 2 329.488 2.212 10 0 EEAELP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000369343075 166241103 /nfs/dbraw/zinc/24/11/03/166241103.db2.gz KNMPQICEUXGVRD-CQSZACIVSA-N 2 2 342.443 2.303 10 0 EEAELP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000369343075 166241104 /nfs/dbraw/zinc/24/11/04/166241104.db2.gz KNMPQICEUXGVRD-CQSZACIVSA-N 2 2 342.443 2.303 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000369923773 166357527 /nfs/dbraw/zinc/35/75/27/166357527.db2.gz PGNSXOHBRQQZLZ-IYBDPMFKSA-N 2 2 347.507 2.475 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000369923773 166357529 /nfs/dbraw/zinc/35/75/29/166357529.db2.gz PGNSXOHBRQQZLZ-IYBDPMFKSA-N 2 2 347.507 2.475 10 0 EEAELP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422691900 276110189 /nfs/dbraw/zinc/11/01/89/276110189.db2.gz JCNBGVMZJNMSKR-PMACEKPBSA-N 3 2 331.504 2.385 10 0 EEAELP C[NH+](C)CCS[C@@H]1Nc2sc3c(c2C(=[NH2+])N1)CC(C)(C)OC3 ZINC000036618867 276763792 /nfs/dbraw/zinc/76/37/92/276763792.db2.gz NIGOHKDRIPDAHJ-AWEZNQCLSA-N 2 2 340.518 2.309 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000093147842 277045397 /nfs/dbraw/zinc/04/53/97/277045397.db2.gz WUJPXPZZEYRMRW-QGZVFWFLSA-N 2 2 333.524 2.309 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000093147842 277045399 /nfs/dbraw/zinc/04/53/99/277045399.db2.gz WUJPXPZZEYRMRW-QGZVFWFLSA-N 2 2 333.524 2.309 10 0 EEAELP O=S1(=O)CCC(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000362737677 280342550 /nfs/dbraw/zinc/34/25/50/280342550.db2.gz RICAZHAXQLWMJL-SFHVURJKSA-N 2 2 342.549 2.399 10 0 EEAELP O=S1(=O)CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000362737677 280342552 /nfs/dbraw/zinc/34/25/52/280342552.db2.gz RICAZHAXQLWMJL-SFHVURJKSA-N 2 2 342.549 2.399 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420394824 298072515 /nfs/dbraw/zinc/07/25/15/298072515.db2.gz CVEBDPLCUYXWKE-KFWWJZLASA-N 2 2 333.501 2.431 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420394824 298072516 /nfs/dbraw/zinc/07/25/16/298072516.db2.gz CVEBDPLCUYXWKE-KFWWJZLASA-N 2 2 333.501 2.431 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)c[nH+]2)CC1 ZINC000333913751 312213192 /nfs/dbraw/zinc/21/31/92/312213192.db2.gz MGLNAFGPPKEPNX-RDJZCZTQSA-N 2 2 345.491 2.115 10 0 EEAELP COc1cccc(N2CCC[C@@H]([NH2+]Cc3c[nH+]c(N(C)C)n3C)C2)c1 ZINC000414392605 313010814 /nfs/dbraw/zinc/01/08/14/313010814.db2.gz MZOFIAOFPRWXSE-OAHLLOKOSA-N 2 2 343.475 2.253 10 0 EEAELP COc1ccc(OC)c(C[NH+]2CCN(C[C@H]([NH3+])CC(C)C)CC2)c1 ZINC000414676028 313061835 /nfs/dbraw/zinc/06/18/35/313061835.db2.gz HCFGBNHFJIVGFB-QGZVFWFLSA-N 2 2 335.492 2.195 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C1=O ZINC000541229120 318094466 /nfs/dbraw/zinc/09/44/66/318094466.db2.gz NDZBRADPNRJQSG-SJORKVTESA-N 2 2 342.418 2.327 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563958257 319059533 /nfs/dbraw/zinc/05/95/33/319059533.db2.gz OLOBODLCNSOAFJ-AUUYWEPGSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563958257 319059536 /nfs/dbraw/zinc/05/95/36/319059536.db2.gz OLOBODLCNSOAFJ-AUUYWEPGSA-N 2 2 347.459 2.106 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961779 319132975 /nfs/dbraw/zinc/13/29/75/319132975.db2.gz YWUAZRIVXJKRTJ-QZTJIDSGSA-N 2 2 340.471 2.240 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961779 319132977 /nfs/dbraw/zinc/13/29/77/319132977.db2.gz YWUAZRIVXJKRTJ-QZTJIDSGSA-N 2 2 340.471 2.240 10 0 EEAELP CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@@H](C[NH3+])C1)n2CC ZINC000566244678 319264331 /nfs/dbraw/zinc/26/43/31/319264331.db2.gz QRGXSSQMMJZQKC-AWEZNQCLSA-N 2 2 344.459 2.404 10 0 EEAELP CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@@H](C[NH3+])C1)n2CC ZINC000566244678 319264332 /nfs/dbraw/zinc/26/43/32/319264332.db2.gz QRGXSSQMMJZQKC-AWEZNQCLSA-N 2 2 344.459 2.404 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1C(F)(F)F ZINC000567043889 319342462 /nfs/dbraw/zinc/34/24/62/319342462.db2.gz ZRXPTWGBUWRYND-QWHCGFSZSA-N 2 2 339.361 2.479 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1C(F)(F)F ZINC000567043889 319342464 /nfs/dbraw/zinc/34/24/64/319342464.db2.gz ZRXPTWGBUWRYND-QWHCGFSZSA-N 2 2 339.361 2.479 10 0 EEAELP COc1ccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000576227975 320152709 /nfs/dbraw/zinc/15/27/09/320152709.db2.gz PEFRXNREFLGMEX-SFHVURJKSA-N 2 2 328.416 2.321 10 0 EEAELP COc1ccc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000576227975 320152710 /nfs/dbraw/zinc/15/27/10/320152710.db2.gz PEFRXNREFLGMEX-SFHVURJKSA-N 2 2 328.416 2.321 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000576715555 320197918 /nfs/dbraw/zinc/19/79/18/320197918.db2.gz MDLMTMNJLDSRQU-HNNXBMFYSA-N 2 2 333.451 2.373 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577474023 320257139 /nfs/dbraw/zinc/25/71/39/320257139.db2.gz LPABQFLDAKZZGP-HZPDHXFCSA-N 2 2 333.480 2.070 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1(C)C ZINC000181934765 323360341 /nfs/dbraw/zinc/36/03/41/323360341.db2.gz YPXOWJQKBYXCJE-SOUVJXGZSA-N 2 2 333.480 2.280 10 0 EEAELP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CS(=O)(=O)c4ccccc43)n2c1 ZINC000580515644 324076244 /nfs/dbraw/zinc/07/62/44/324076244.db2.gz AHLFIQDPQXHXEK-AWEZNQCLSA-N 2 2 341.436 2.303 10 0 EEAELP COC1CC[NH+](C2(CNc3nc(C)[nH+]c(N(C)C)n3)CCCC2)CC1 ZINC000488375302 447845925 /nfs/dbraw/zinc/84/59/25/447845925.db2.gz CBLMZQSYVXDSGY-UHFFFAOYSA-N 2 2 348.495 2.082 10 0 EEAELP CC(C)(CNc1nc2ccccc2n2c[nH+]cc12)[NH+]1CCOCC1 ZINC000623797822 450589677 /nfs/dbraw/zinc/58/96/77/450589677.db2.gz CTUGOXNVYVFNPD-UHFFFAOYSA-N 2 2 325.416 2.405 10 0 EEAELP CCC[N@@H+]1CC[C@@H](NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000624380319 450821599 /nfs/dbraw/zinc/82/15/99/450821599.db2.gz BJWYMTMSGNXVEC-OAHLLOKOSA-N 2 2 348.495 2.104 10 0 EEAELP CCC[N@H+]1CC[C@@H](NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)C1 ZINC000624380319 450821604 /nfs/dbraw/zinc/82/16/04/450821604.db2.gz BJWYMTMSGNXVEC-OAHLLOKOSA-N 2 2 348.495 2.104 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479499 464247799 /nfs/dbraw/zinc/24/77/99/464247799.db2.gz DFMORIVDOJJBFC-IEBWSBKVSA-N 2 2 325.460 2.243 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479499 464247806 /nfs/dbraw/zinc/24/78/06/464247806.db2.gz DFMORIVDOJJBFC-IEBWSBKVSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479499 464247812 /nfs/dbraw/zinc/24/78/12/464247812.db2.gz DFMORIVDOJJBFC-IEBWSBKVSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479499 464247816 /nfs/dbraw/zinc/24/78/16/464247816.db2.gz DFMORIVDOJJBFC-IEBWSBKVSA-N 2 2 325.460 2.243 10 0 EEAELP Cc1ccncc1CCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000347881801 465283904 /nfs/dbraw/zinc/28/39/04/465283904.db2.gz OMXWSYKYOQKUBZ-UHFFFAOYSA-N 2 2 340.475 2.001 10 0 EEAELP Cc1cccn2cc(CNC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)[nH+]c12 ZINC000112907660 462552242 /nfs/dbraw/zinc/55/22/42/462552242.db2.gz XENCAXFPSQVLPP-GOSISDBHSA-N 2 2 336.439 2.432 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000045839572 462622781 /nfs/dbraw/zinc/62/27/81/462622781.db2.gz ULWLERXKXUMVQU-KURKYZTESA-N 2 2 345.487 2.001 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)OC[C@H]2C)CC1 ZINC000045839572 462622784 /nfs/dbraw/zinc/62/27/84/462622784.db2.gz ULWLERXKXUMVQU-KURKYZTESA-N 2 2 345.487 2.001 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875887 462649174 /nfs/dbraw/zinc/64/91/74/462649174.db2.gz QIKBGBAJNMIBLH-HNNXBMFYSA-N 2 2 339.443 2.423 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCCSCC3)CC2)c1 ZINC000089981938 462760821 /nfs/dbraw/zinc/76/08/21/462760821.db2.gz WQYOKBLRILWJGT-UHFFFAOYSA-N 2 2 347.528 2.078 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCCSCC3)CC2)c1 ZINC000089981938 462760824 /nfs/dbraw/zinc/76/08/24/462760824.db2.gz WQYOKBLRILWJGT-UHFFFAOYSA-N 2 2 347.528 2.078 10 0 EEAELP C[NH+](C)[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1CO ZINC000075876326 462768827 /nfs/dbraw/zinc/76/88/27/462768827.db2.gz CIHLJWQITICQHU-UKRRQHHQSA-N 2 2 332.366 2.330 10 0 EEAELP C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C[C@@H]1CO ZINC000075876326 462768832 /nfs/dbraw/zinc/76/88/32/462768832.db2.gz CIHLJWQITICQHU-UKRRQHHQSA-N 2 2 332.366 2.330 10 0 EEAELP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067684286 463036320 /nfs/dbraw/zinc/03/63/20/463036320.db2.gz WKBWZHQFPAVMHD-MRXNPFEDSA-N 2 2 345.491 2.080 10 0 EEAELP CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000067684286 463036324 /nfs/dbraw/zinc/03/63/24/463036324.db2.gz WKBWZHQFPAVMHD-MRXNPFEDSA-N 2 2 345.491 2.080 10 0 EEAELP CCCn1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000123040376 463312746 /nfs/dbraw/zinc/31/27/46/463312746.db2.gz VKWZXMKVGDWRQU-QZTJIDSGSA-N 2 2 333.524 2.284 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nnc1-c1ccccc1 ZINC000139935626 463334001 /nfs/dbraw/zinc/33/40/01/463334001.db2.gz PJSCACYSDLVQEV-IAGOWNOFSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)nnc1-c1ccccc1 ZINC000139935626 463334005 /nfs/dbraw/zinc/33/40/05/463334005.db2.gz PJSCACYSDLVQEV-IAGOWNOFSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nnc1-c1ccccc1 ZINC000139935626 463334008 /nfs/dbraw/zinc/33/40/08/463334008.db2.gz PJSCACYSDLVQEV-IAGOWNOFSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nnc1-c1ccccc1 ZINC000139935626 463334009 /nfs/dbraw/zinc/33/40/09/463334009.db2.gz PJSCACYSDLVQEV-IAGOWNOFSA-N 2 2 325.460 2.398 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000105896546 463491626 /nfs/dbraw/zinc/49/16/26/463491626.db2.gz QOMSSSXLRXSVOO-KRWDZBQOSA-N 2 2 326.444 2.399 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000105896546 463491633 /nfs/dbraw/zinc/49/16/33/463491633.db2.gz QOMSSSXLRXSVOO-KRWDZBQOSA-N 2 2 326.444 2.399 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151248752 463500643 /nfs/dbraw/zinc/50/06/43/463500643.db2.gz VMLMGPTVIOIEMP-IEBWSBKVSA-N 3 2 349.519 2.124 10 0 EEAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151275711 463505072 /nfs/dbraw/zinc/50/50/72/463505072.db2.gz RPKKPEUHYXQBAK-SJLPKXTDSA-N 2 2 336.476 2.209 10 0 EEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000106120708 463506024 /nfs/dbraw/zinc/50/60/24/463506024.db2.gz QBXYXXOKPAKRLG-GOSISDBHSA-N 2 2 335.467 2.053 10 0 EEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000106120708 463506026 /nfs/dbraw/zinc/50/60/26/463506026.db2.gz QBXYXXOKPAKRLG-GOSISDBHSA-N 2 2 335.467 2.053 10 0 EEAELP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H]1C[N@H+](C)CCO1 ZINC000108945602 463630186 /nfs/dbraw/zinc/63/01/86/463630186.db2.gz PNCMWHRCNOAAND-CYBMUJFWSA-N 2 2 329.400 2.154 10 0 EEAELP CCOC(=O)c1c[nH+]c2ccccc2c1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000108945602 463630189 /nfs/dbraw/zinc/63/01/89/463630189.db2.gz PNCMWHRCNOAAND-CYBMUJFWSA-N 2 2 329.400 2.154 10 0 EEAELP CC(C)C[N@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCc2cccnc21 ZINC000127089211 463681201 /nfs/dbraw/zinc/68/12/01/463681201.db2.gz ZXFQPZNSVBYGPE-GOSISDBHSA-N 2 2 344.503 2.191 10 0 EEAELP CC(C)C[N@@H+](CC(=O)N1CC[NH+](C)CC1)[C@@H]1CCCc2cccnc21 ZINC000127089211 463681202 /nfs/dbraw/zinc/68/12/02/463681202.db2.gz ZXFQPZNSVBYGPE-GOSISDBHSA-N 2 2 344.503 2.191 10 0 EEAELP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177593248 463744836 /nfs/dbraw/zinc/74/48/36/463744836.db2.gz MIGNSJRXWZAELS-GOSISDBHSA-N 2 2 345.491 2.464 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000185274185 463792462 /nfs/dbraw/zinc/79/24/62/463792462.db2.gz OZFDGFLOHWFJDX-INIZCTEOSA-N 2 2 347.438 2.242 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261990234 463918797 /nfs/dbraw/zinc/91/87/97/463918797.db2.gz SPWULUCEEPXQJJ-ZRSRNVLSSA-N 3 2 337.552 2.490 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261990234 463918804 /nfs/dbraw/zinc/91/88/04/463918804.db2.gz SPWULUCEEPXQJJ-ZRSRNVLSSA-N 3 2 337.552 2.490 10 0 EEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000178576592 463924286 /nfs/dbraw/zinc/92/42/86/463924286.db2.gz PRUJCHXJEAUQOP-OIISXLGYSA-N 2 2 328.460 2.236 10 0 EEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178576592 463924288 /nfs/dbraw/zinc/92/42/88/463924288.db2.gz PRUJCHXJEAUQOP-OIISXLGYSA-N 2 2 328.460 2.236 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC000269503357 464003653 /nfs/dbraw/zinc/00/36/53/464003653.db2.gz FNHHTPRSNDPUAE-GOEBONIOSA-N 2 2 333.480 2.019 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC000269503357 464003658 /nfs/dbraw/zinc/00/36/58/464003658.db2.gz FNHHTPRSNDPUAE-GOEBONIOSA-N 2 2 333.480 2.019 10 0 EEAELP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000269687397 464058420 /nfs/dbraw/zinc/05/84/20/464058420.db2.gz NDFZMUBOVBVVFC-WMZOPIPTSA-N 2 2 347.528 2.157 10 0 EEAELP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCSCC1 ZINC000269687397 464058428 /nfs/dbraw/zinc/05/84/28/464058428.db2.gz NDFZMUBOVBVVFC-WMZOPIPTSA-N 2 2 347.528 2.157 10 0 EEAELP C[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000226047817 464183644 /nfs/dbraw/zinc/18/36/44/464183644.db2.gz HTFSPTXXWUIAEM-VXGBXAGGSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000226047817 464183648 /nfs/dbraw/zinc/18/36/48/464183648.db2.gz HTFSPTXXWUIAEM-VXGBXAGGSA-N 2 2 333.259 2.417 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000245437325 464481263 /nfs/dbraw/zinc/48/12/63/464481263.db2.gz RLCKAGPGIAUEQS-WMZOPIPTSA-N 2 2 347.503 2.016 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000245437325 464481268 /nfs/dbraw/zinc/48/12/68/464481268.db2.gz RLCKAGPGIAUEQS-WMZOPIPTSA-N 2 2 347.503 2.016 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000245437325 464481270 /nfs/dbraw/zinc/48/12/70/464481270.db2.gz RLCKAGPGIAUEQS-WMZOPIPTSA-N 2 2 347.503 2.016 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000245437325 464481275 /nfs/dbraw/zinc/48/12/75/464481275.db2.gz RLCKAGPGIAUEQS-WMZOPIPTSA-N 2 2 347.503 2.016 10 0 EEAELP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)s1 ZINC000181388968 464482383 /nfs/dbraw/zinc/48/23/83/464482383.db2.gz SVBJZSSXVSKKCI-DZGCQCFKSA-N 2 2 341.521 2.138 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000245655675 464503597 /nfs/dbraw/zinc/50/35/97/464503597.db2.gz CMAZBCHHBABLPX-CVEARBPZSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245655675 464503604 /nfs/dbraw/zinc/50/36/04/464503604.db2.gz CMAZBCHHBABLPX-CVEARBPZSA-N 2 2 335.496 2.459 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000272187445 464511172 /nfs/dbraw/zinc/51/11/72/464511172.db2.gz AXSHHQOFRWMCEX-QGZVFWFLSA-N 2 2 339.443 2.358 10 0 EEAELP C[NH+](C)C1(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)CCCCC1 ZINC000272221162 464523135 /nfs/dbraw/zinc/52/31/35/464523135.db2.gz PTERNTKVQDUDCN-UHFFFAOYSA-N 2 2 327.432 2.262 10 0 EEAELP C[NH+](C)CCC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272356050 464576786 /nfs/dbraw/zinc/57/67/86/464576786.db2.gz RHZPYAHFSRCPKV-UHFFFAOYSA-N 2 2 327.432 2.071 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000182157390 464585706 /nfs/dbraw/zinc/58/57/06/464585706.db2.gz NCOMQRXLYAYYKQ-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000182157390 464585715 /nfs/dbraw/zinc/58/57/15/464585715.db2.gz NCOMQRXLYAYYKQ-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3sccc3C2)[C@H](C)C1 ZINC000175731616 464612793 /nfs/dbraw/zinc/61/27/93/464612793.db2.gz CIZULMNEBMYPIM-GDBMZVCRSA-N 2 2 335.517 2.295 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCc3sccc3C2)[C@H](C)C1 ZINC000175731616 464612800 /nfs/dbraw/zinc/61/28/00/464612800.db2.gz CIZULMNEBMYPIM-GDBMZVCRSA-N 2 2 335.517 2.295 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3sccc3C2)[C@H](C)C1 ZINC000175731616 464612805 /nfs/dbraw/zinc/61/28/05/464612805.db2.gz CIZULMNEBMYPIM-GDBMZVCRSA-N 2 2 335.517 2.295 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCc3sccc3C2)[C@H](C)C1 ZINC000175731616 464612810 /nfs/dbraw/zinc/61/28/10/464612810.db2.gz CIZULMNEBMYPIM-GDBMZVCRSA-N 2 2 335.517 2.295 10 0 EEAELP C[N@H+](C[C@@H](O)COC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784995 464624538 /nfs/dbraw/zinc/62/45/38/464624538.db2.gz VDDAYUNVWSLHTR-LJQANCHMSA-N 2 2 349.519 2.196 10 0 EEAELP C[N@@H+](C[C@@H](O)COC(C)(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000175784995 464624544 /nfs/dbraw/zinc/62/45/44/464624544.db2.gz VDDAYUNVWSLHTR-LJQANCHMSA-N 2 2 349.519 2.196 10 0 EEAELP CN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000191983696 464840420 /nfs/dbraw/zinc/84/04/20/464840420.db2.gz DZWXSRAUTXSTAO-UHFFFAOYSA-N 2 2 336.480 2.011 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@@H+]1C ZINC000266911139 464868675 /nfs/dbraw/zinc/86/86/75/464868675.db2.gz SMROAISJABFXTH-AEFFLSMTSA-N 2 2 345.487 2.074 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2C[NH+]2CCOCC2)CC[N@H+]1C ZINC000266911139 464868679 /nfs/dbraw/zinc/86/86/79/464868679.db2.gz SMROAISJABFXTH-AEFFLSMTSA-N 2 2 345.487 2.074 10 0 EEAELP O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1 ZINC000177040820 464914299 /nfs/dbraw/zinc/91/42/99/464914299.db2.gz DRSDVADPCLYXIC-SFHVURJKSA-N 2 2 347.422 2.331 10 0 EEAELP O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)CCN1 ZINC000177040820 464914305 /nfs/dbraw/zinc/91/43/05/464914305.db2.gz DRSDVADPCLYXIC-SFHVURJKSA-N 2 2 347.422 2.331 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1(CO)CC1 ZINC000348223754 465498645 /nfs/dbraw/zinc/49/86/45/465498645.db2.gz MAFAZROCICSPLE-ZDUSSCGKSA-N 2 2 328.416 2.108 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1(CO)CC1 ZINC000348223754 465498653 /nfs/dbraw/zinc/49/86/53/465498653.db2.gz MAFAZROCICSPLE-ZDUSSCGKSA-N 2 2 328.416 2.108 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)Nc1ccnn1CC[NH+](C)C ZINC000359509152 465421558 /nfs/dbraw/zinc/42/15/58/465421558.db2.gz XSCDHMDIMCNPON-UHFFFAOYSA-N 2 2 340.431 2.132 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000348663358 465733365 /nfs/dbraw/zinc/73/33/65/465733365.db2.gz SNLMDHDXFTWVGK-DZGCQCFKSA-N 2 2 333.432 2.016 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000348663358 465733369 /nfs/dbraw/zinc/73/33/69/465733369.db2.gz SNLMDHDXFTWVGK-DZGCQCFKSA-N 2 2 333.432 2.016 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000348663358 465733373 /nfs/dbraw/zinc/73/33/73/465733373.db2.gz SNLMDHDXFTWVGK-DZGCQCFKSA-N 2 2 333.432 2.016 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000348663358 465733379 /nfs/dbraw/zinc/73/33/79/465733379.db2.gz SNLMDHDXFTWVGK-DZGCQCFKSA-N 2 2 333.432 2.016 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)C2CC2)o1 ZINC000366485371 465757023 /nfs/dbraw/zinc/75/70/23/465757023.db2.gz VPPCNMMHLOZAPS-LJQANCHMSA-N 2 2 331.460 2.107 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)C2CC2)o1 ZINC000366485371 465757032 /nfs/dbraw/zinc/75/70/32/465757032.db2.gz VPPCNMMHLOZAPS-LJQANCHMSA-N 2 2 331.460 2.107 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C2CC2)o1 ZINC000366485371 465757040 /nfs/dbraw/zinc/75/70/40/465757040.db2.gz VPPCNMMHLOZAPS-LJQANCHMSA-N 2 2 331.460 2.107 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)C2CC2)o1 ZINC000366485371 465757047 /nfs/dbraw/zinc/75/70/47/465757047.db2.gz VPPCNMMHLOZAPS-LJQANCHMSA-N 2 2 331.460 2.107 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000348937086 465883107 /nfs/dbraw/zinc/88/31/07/465883107.db2.gz YWLKQFRQEJJVOJ-UHFFFAOYSA-N 2 2 338.455 2.212 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000348937086 465883112 /nfs/dbraw/zinc/88/31/12/465883112.db2.gz YWLKQFRQEJJVOJ-UHFFFAOYSA-N 2 2 338.455 2.212 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[NH+]1CCN(CCO)CC1 ZINC000361289981 465885722 /nfs/dbraw/zinc/88/57/22/465885722.db2.gz REPBUYCRFIVCGL-UHFFFAOYSA-N 2 2 330.476 2.125 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000340334330 466000469 /nfs/dbraw/zinc/00/04/69/466000469.db2.gz RNJSXJGZPCVCMH-QZTJIDSGSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000340334330 466000478 /nfs/dbraw/zinc/00/04/78/466000478.db2.gz RNJSXJGZPCVCMH-QZTJIDSGSA-N 2 2 345.487 2.003 10 0 EEAELP COCCN1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361528 468480257 /nfs/dbraw/zinc/48/02/57/468480257.db2.gz DDEDUNXRLUTBSN-PMACEKPBSA-N 2 2 343.515 2.494 10 0 EEAELP COCCN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361528 468480262 /nfs/dbraw/zinc/48/02/62/468480262.db2.gz DDEDUNXRLUTBSN-PMACEKPBSA-N 2 2 343.515 2.494 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000340952753 466462682 /nfs/dbraw/zinc/46/26/82/466462682.db2.gz BNGBSACXSUTCOY-OAHLLOKOSA-N 2 2 345.834 2.143 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000361986430 466462977 /nfs/dbraw/zinc/46/29/77/466462977.db2.gz OJCBYNKRAJPQHV-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000361986430 466462983 /nfs/dbraw/zinc/46/29/83/466462983.db2.gz OJCBYNKRAJPQHV-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)c1 ZINC000313277335 466540036 /nfs/dbraw/zinc/54/00/36/466540036.db2.gz DMDWDCUZJZFMKE-GFCCVEGCSA-N 2 2 344.242 2.299 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000367911958 466555005 /nfs/dbraw/zinc/55/50/05/466555005.db2.gz RDGQJFAKBPGNMW-JOQOYGCGSA-N 2 2 341.459 2.258 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000367911958 466555013 /nfs/dbraw/zinc/55/50/13/466555013.db2.gz RDGQJFAKBPGNMW-JOQOYGCGSA-N 2 2 341.459 2.258 10 0 EEAELP COc1nsc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1Br ZINC000638358638 471055644 /nfs/dbraw/zinc/05/56/44/471055644.db2.gz HJGANXCAYFNFFH-QMMMGPOBSA-N 2 2 331.239 2.289 10 0 EEAELP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417063029 466768495 /nfs/dbraw/zinc/76/84/95/466768495.db2.gz DHSDPMANUFJADZ-ROUUACIJSA-N 2 2 341.459 2.248 10 0 EEAELP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)CCCO2 ZINC000423532525 466769730 /nfs/dbraw/zinc/76/97/30/466769730.db2.gz ZVJAFDWYRQPBDL-TZMCWYRMSA-N 2 2 341.249 2.241 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366137932 467069550 /nfs/dbraw/zinc/06/95/50/467069550.db2.gz QBQFJVMGAURDLL-MRXNPFEDSA-N 2 2 341.459 2.040 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366137932 467069553 /nfs/dbraw/zinc/06/95/53/467069553.db2.gz QBQFJVMGAURDLL-MRXNPFEDSA-N 2 2 341.459 2.040 10 0 EEAELP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418450095 467113151 /nfs/dbraw/zinc/11/31/51/467113151.db2.gz UMTMMDXZHCVRDN-CVEARBPZSA-N 2 2 347.507 2.482 10 0 EEAELP CC(C)Oc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncn1 ZINC000413204979 467189245 /nfs/dbraw/zinc/18/92/45/467189245.db2.gz PBRDYXPHPABBJM-SJPCQFCGSA-N 2 2 345.491 2.011 10 0 EEAELP CC(C)Oc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncn1 ZINC000413204979 467189247 /nfs/dbraw/zinc/18/92/47/467189247.db2.gz PBRDYXPHPABBJM-SJPCQFCGSA-N 2 2 345.491 2.011 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000378104424 467198810 /nfs/dbraw/zinc/19/88/10/467198810.db2.gz VWMFRXHMOPCDRX-PBHICJAKSA-N 2 2 345.422 2.008 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000378104424 467198813 /nfs/dbraw/zinc/19/88/13/467198813.db2.gz VWMFRXHMOPCDRX-PBHICJAKSA-N 2 2 345.422 2.008 10 0 EEAELP C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)[N@H+](C)C1CC1 ZINC000414128400 467380100 /nfs/dbraw/zinc/38/01/00/467380100.db2.gz UAIRSDFPVWYFKB-NWDGAFQWSA-N 2 2 342.281 2.072 10 0 EEAELP C[C@H](C[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)[N@@H+](C)C1CC1 ZINC000414128400 467380101 /nfs/dbraw/zinc/38/01/01/467380101.db2.gz UAIRSDFPVWYFKB-NWDGAFQWSA-N 2 2 342.281 2.072 10 0 EEAELP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnnn2Cc2ccccc2)C1 ZINC000430236057 467411124 /nfs/dbraw/zinc/41/11/24/467411124.db2.gz MRDFACWJZNVOCK-LJQANCHMSA-N 2 2 339.487 2.490 10 0 EEAELP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cnnn2Cc2ccccc2)C1 ZINC000430236057 467411128 /nfs/dbraw/zinc/41/11/28/467411128.db2.gz MRDFACWJZNVOCK-LJQANCHMSA-N 2 2 339.487 2.490 10 0 EEAELP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cnnn2Cc2ccccc2)C1 ZINC000430236057 467411132 /nfs/dbraw/zinc/41/11/32/467411132.db2.gz MRDFACWJZNVOCK-LJQANCHMSA-N 2 2 339.487 2.490 10 0 EEAELP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cnnn2Cc2ccccc2)C1 ZINC000430236057 467411136 /nfs/dbraw/zinc/41/11/36/467411136.db2.gz MRDFACWJZNVOCK-LJQANCHMSA-N 2 2 339.487 2.490 10 0 EEAELP COCCN1CC[C@@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397928924 467444796 /nfs/dbraw/zinc/44/47/96/467444796.db2.gz CQDZKNYDYSBNOL-WOJBJXKFSA-N 2 2 331.504 2.351 10 0 EEAELP COCCN1CC[C@@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397928924 467444797 /nfs/dbraw/zinc/44/47/97/467444797.db2.gz CQDZKNYDYSBNOL-WOJBJXKFSA-N 2 2 331.504 2.351 10 0 EEAELP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000430811934 467467945 /nfs/dbraw/zinc/46/79/45/467467945.db2.gz AMIWGMLHHIBKBM-CYBMUJFWSA-N 2 2 341.415 2.326 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415164516 467506719 /nfs/dbraw/zinc/50/67/19/467506719.db2.gz YOARZLFEMQBCBN-HUUCEWRRSA-N 2 2 343.431 2.082 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449038301 467614640 /nfs/dbraw/zinc/61/46/40/467614640.db2.gz SSKCLHXEUOLGRI-INIZCTEOSA-N 2 2 333.457 2.260 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(S(C)(=O)=O)c1 ZINC000449038301 467614642 /nfs/dbraw/zinc/61/46/42/467614642.db2.gz SSKCLHXEUOLGRI-INIZCTEOSA-N 2 2 333.457 2.260 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528716939 467736202 /nfs/dbraw/zinc/73/62/02/467736202.db2.gz XBJDMUCIMGPMOC-UHFFFAOYSA-N 2 2 343.431 2.343 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C2(C)CCC(F)(F)CC2)CC1 ZINC000528782385 467751841 /nfs/dbraw/zinc/75/18/41/467751841.db2.gz JPTBQZLRLRBPFR-UHFFFAOYSA-N 2 2 331.451 2.344 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)Nc1nc(C[NH+](C)C)cs1 ZINC000457283868 467793422 /nfs/dbraw/zinc/79/34/22/467793422.db2.gz DMJUDEJJWHDBOC-UHFFFAOYSA-N 2 2 348.472 2.397 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000533574046 468215128 /nfs/dbraw/zinc/21/51/28/468215128.db2.gz NJBZWUOMGIHMHJ-BBWFWOEESA-N 2 2 345.491 2.222 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000533574046 468215134 /nfs/dbraw/zinc/21/51/34/468215134.db2.gz NJBZWUOMGIHMHJ-BBWFWOEESA-N 2 2 345.491 2.222 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000583331770 468681952 /nfs/dbraw/zinc/68/19/52/468681952.db2.gz NMLOEHVQJYTILZ-HNNXBMFYSA-N 2 2 330.476 2.267 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000594995234 468740317 /nfs/dbraw/zinc/74/03/17/468740317.db2.gz HFANPXABJLGHJU-BXUZGUMPSA-N 2 2 344.240 2.373 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000594995234 468740323 /nfs/dbraw/zinc/74/03/23/468740323.db2.gz HFANPXABJLGHJU-BXUZGUMPSA-N 2 2 344.240 2.373 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)CC(F)(F)C[NH3+])n2)C1 ZINC000571532616 468803392 /nfs/dbraw/zinc/80/33/92/468803392.db2.gz VSOAPENLLOTYQZ-JTQLQIEISA-N 2 2 332.420 2.298 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)CC(F)(F)C[NH3+])n2)C1 ZINC000571532616 468803394 /nfs/dbraw/zinc/80/33/94/468803394.db2.gz VSOAPENLLOTYQZ-JTQLQIEISA-N 2 2 332.420 2.298 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571801533 468840991 /nfs/dbraw/zinc/84/09/91/468840991.db2.gz YRUBBDLYXZFIOS-XLIONFOSSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571801533 468840996 /nfs/dbraw/zinc/84/09/96/468840996.db2.gz YRUBBDLYXZFIOS-XLIONFOSSA-N 2 2 329.488 2.118 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cs1 ZINC000595904714 469073178 /nfs/dbraw/zinc/07/31/78/469073178.db2.gz BNVLQFQEIBHTTC-CQSZACIVSA-N 2 2 326.462 2.077 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cs1 ZINC000595904714 469073182 /nfs/dbraw/zinc/07/31/82/469073182.db2.gz BNVLQFQEIBHTTC-CQSZACIVSA-N 2 2 326.462 2.077 10 0 EEAELP CCc1oc(C(=O)OC)cc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906559 469074886 /nfs/dbraw/zinc/07/48/86/469074886.db2.gz KWYKNCHDWNEWAT-HNNXBMFYSA-N 2 2 338.448 2.171 10 0 EEAELP CCc1oc(C(=O)OC)cc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906559 469074895 /nfs/dbraw/zinc/07/48/95/469074895.db2.gz KWYKNCHDWNEWAT-HNNXBMFYSA-N 2 2 338.448 2.171 10 0 EEAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N(Cc1ccccc1)C1CC1 ZINC000574084569 469258053 /nfs/dbraw/zinc/25/80/53/469258053.db2.gz ODJITMJTLHAQOD-FQEVSTJZSA-N 2 2 327.472 2.253 10 0 EEAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)N(Cc1ccccc1)C1CC1 ZINC000574084569 469258060 /nfs/dbraw/zinc/25/80/60/469258060.db2.gz ODJITMJTLHAQOD-FQEVSTJZSA-N 2 2 327.472 2.253 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCO[C@H](CCF)C3)c2cc1C ZINC000626002275 469465350 /nfs/dbraw/zinc/46/53/50/469465350.db2.gz JZMKKXIXRBGYRQ-HZPDHXFCSA-N 2 2 335.423 2.074 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCO[C@H](CCF)C3)c2cc1C ZINC000626002275 469465353 /nfs/dbraw/zinc/46/53/53/469465353.db2.gz JZMKKXIXRBGYRQ-HZPDHXFCSA-N 2 2 335.423 2.074 10 0 EEAELP COc1nsc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1Br ZINC000623051645 469534887 /nfs/dbraw/zinc/53/48/87/469534887.db2.gz GNWXDKIECXHFAV-IUCAKERBSA-N 2 2 334.283 2.487 10 0 EEAELP COc1nsc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1Br ZINC000623051645 469534891 /nfs/dbraw/zinc/53/48/91/469534891.db2.gz GNWXDKIECXHFAV-IUCAKERBSA-N 2 2 334.283 2.487 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000616998396 469564648 /nfs/dbraw/zinc/56/46/48/469564648.db2.gz NFSNQHIKBPWQSX-AWEZNQCLSA-N 2 2 327.432 2.118 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000616998396 469564654 /nfs/dbraw/zinc/56/46/54/469564654.db2.gz NFSNQHIKBPWQSX-AWEZNQCLSA-N 2 2 327.432 2.118 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000617012965 469571408 /nfs/dbraw/zinc/57/14/08/469571408.db2.gz LBUFNTGCWKSCRV-SJORKVTESA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000617012965 469571409 /nfs/dbraw/zinc/57/14/09/469571409.db2.gz LBUFNTGCWKSCRV-SJORKVTESA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000617012965 469571414 /nfs/dbraw/zinc/57/14/14/469571414.db2.gz LBUFNTGCWKSCRV-SJORKVTESA-N 2 2 330.476 2.035 10 0 EEAELP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000617012965 469571415 /nfs/dbraw/zinc/57/14/15/469571415.db2.gz LBUFNTGCWKSCRV-SJORKVTESA-N 2 2 330.476 2.035 10 0 EEAELP CCc1ccc([C@H](C[NH+]2CCOCC2)N[C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000629527536 469573185 /nfs/dbraw/zinc/57/31/85/469573185.db2.gz YAEDLSUQSRYZJI-ZCNNSNEGSA-N 2 2 331.504 2.352 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000617014772 469574623 /nfs/dbraw/zinc/57/46/23/469574623.db2.gz PEXRENJPJBADLY-YVSFHVDLSA-N 2 2 339.524 2.109 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000617014772 469574628 /nfs/dbraw/zinc/57/46/28/469574628.db2.gz PEXRENJPJBADLY-YVSFHVDLSA-N 2 2 339.524 2.109 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000617014772 469574631 /nfs/dbraw/zinc/57/46/31/469574631.db2.gz PEXRENJPJBADLY-YVSFHVDLSA-N 2 2 339.524 2.109 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000617014772 469574634 /nfs/dbraw/zinc/57/46/34/469574634.db2.gz PEXRENJPJBADLY-YVSFHVDLSA-N 2 2 339.524 2.109 10 0 EEAELP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)COCc1ccccc1F ZINC000629600700 469589778 /nfs/dbraw/zinc/58/97/78/469589778.db2.gz BBNQGNXNGAUWRK-ZWKOTPCHSA-N 2 2 336.451 2.310 10 0 EEAELP O[C@H](C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)COCc1ccccc1F ZINC000629600700 469589783 /nfs/dbraw/zinc/58/97/83/469589783.db2.gz BBNQGNXNGAUWRK-ZWKOTPCHSA-N 2 2 336.451 2.310 10 0 EEAELP COc1c(Br)cccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629655156 469599902 /nfs/dbraw/zinc/59/99/02/469599902.db2.gz STPOHKDOLAEBFB-UHFFFAOYSA-N 2 2 329.238 2.055 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)CC2 ZINC000626614364 469664150 /nfs/dbraw/zinc/66/41/50/469664150.db2.gz IFCPLFKOBGJIFC-SFHVURJKSA-N 2 2 340.471 2.174 10 0 EEAELP C[C@H]1CC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[NH2+]1 ZINC000626928724 469757886 /nfs/dbraw/zinc/75/78/86/469757886.db2.gz CHYMBWPONLFUSP-GOEBONIOSA-N 2 2 331.464 2.012 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000608712991 469866672 /nfs/dbraw/zinc/86/66/72/469866672.db2.gz WIXJJFQFLHQRSL-KRWDZBQOSA-N 2 2 333.480 2.352 10 0 EEAELP Cc1nc(N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)nc(N)[nH+]1 ZINC000631038712 470053490 /nfs/dbraw/zinc/05/34/90/470053490.db2.gz HSGSWJPUUGMUJY-UHFFFAOYSA-N 2 2 326.448 2.208 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)c[nH+]1 ZINC000628476747 470110896 /nfs/dbraw/zinc/11/08/96/470110896.db2.gz LDQBOYMVOSPSER-HXUWFJFHSA-N 2 2 340.471 2.208 10 0 EEAELP c1cnn(C2CC([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000639104749 470389840 /nfs/dbraw/zinc/38/98/40/470389840.db2.gz MKQBWXPAYLJCNW-SOAGJPPSSA-N 2 2 340.471 2.467 10 0 EEAELP c1cnn(C2CC([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C2)c1 ZINC000639104749 470389843 /nfs/dbraw/zinc/38/98/43/470389843.db2.gz MKQBWXPAYLJCNW-SOAGJPPSSA-N 2 2 340.471 2.467 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649215926 470501959 /nfs/dbraw/zinc/50/19/59/470501959.db2.gz RURRCVAUOJNOIF-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC000649215926 470501964 /nfs/dbraw/zinc/50/19/64/470501964.db2.gz RURRCVAUOJNOIF-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP CCCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000633552749 470506992 /nfs/dbraw/zinc/50/69/92/470506992.db2.gz QZACFAMCMFNYAJ-GOSISDBHSA-N 2 2 326.444 2.358 10 0 EEAELP CCCN(C(=O)Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000633552749 470506997 /nfs/dbraw/zinc/50/69/97/470506997.db2.gz QZACFAMCMFNYAJ-GOSISDBHSA-N 2 2 326.444 2.358 10 0 EEAELP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000642010441 470516779 /nfs/dbraw/zinc/51/67/79/470516779.db2.gz NJKMFPHHDJNZIH-PMPSAXMXSA-N 2 2 345.491 2.236 10 0 EEAELP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@]1(O)CCOC1 ZINC000647247746 470867345 /nfs/dbraw/zinc/86/73/45/470867345.db2.gz ZTRSFEDPSMFFBC-HNNXBMFYSA-N 2 2 338.414 2.170 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957127 471026971 /nfs/dbraw/zinc/02/69/71/471026971.db2.gz SMBSHKVWLWKGDJ-PKOBYXMFSA-N 2 2 331.460 2.488 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957127 471026975 /nfs/dbraw/zinc/02/69/75/471026975.db2.gz SMBSHKVWLWKGDJ-PKOBYXMFSA-N 2 2 331.460 2.488 10 0 EEAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000638437326 471095076 /nfs/dbraw/zinc/09/50/76/471095076.db2.gz RQLDFINRGYYZMG-GOSISDBHSA-N 2 2 334.460 2.056 10 0 EEAELP c1cc2c(nc[nH+]c2N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000651415048 471164585 /nfs/dbraw/zinc/16/45/85/471164585.db2.gz XGWVDLSZGYDTKW-MSOLQXFVSA-N 2 2 349.438 2.438 10 0 EEAELP c1cc2c(nc[nH+]c2N2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)[nH]1 ZINC000651415048 471164593 /nfs/dbraw/zinc/16/45/93/471164593.db2.gz XGWVDLSZGYDTKW-MSOLQXFVSA-N 2 2 349.438 2.438 10 0 EEAELP CC(C)[C@@]1(CO)CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000645248263 471191233 /nfs/dbraw/zinc/19/12/33/471191233.db2.gz XBKUQZZOCKQKKG-UXHICEINSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@@]1(CO)CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000645248263 471191235 /nfs/dbraw/zinc/19/12/35/471191235.db2.gz XBKUQZZOCKQKKG-UXHICEINSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000645248263 471191240 /nfs/dbraw/zinc/19/12/40/471191240.db2.gz XBKUQZZOCKQKKG-UXHICEINSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@@]1(CO)CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000645248263 471191244 /nfs/dbraw/zinc/19/12/44/471191244.db2.gz XBKUQZZOCKQKKG-UXHICEINSA-N 2 2 334.504 2.210 10 0 EEAELP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CS1(=O)=O ZINC000657637341 471194340 /nfs/dbraw/zinc/19/43/40/471194340.db2.gz HIRXGGSKQKTIOZ-ZBFHGGJFSA-N 2 2 328.522 2.339 10 0 EEAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C(C)(C)C(F)F ZINC000657832111 471238695 /nfs/dbraw/zinc/23/86/95/471238695.db2.gz HLCNKXZQKOFZGJ-CQSZACIVSA-N 2 2 341.450 2.258 10 0 EEAELP COC[C@@H](CC1CCOCC1)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000657835379 471239747 /nfs/dbraw/zinc/23/97/47/471239747.db2.gz FTSVPZMOJRCTSP-GOSISDBHSA-N 2 2 333.476 2.472 10 0 EEAELP c1cc(N2CC[NH+](CCC[NH2+][C@H]3CCCSCC3)CC2)cc[nH+]1 ZINC000657863588 471242226 /nfs/dbraw/zinc/24/22/26/471242226.db2.gz LCMMCQFTWBMBJO-KRWDZBQOSA-N 3 2 334.533 2.469 10 0 EEAELP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358043 471278773 /nfs/dbraw/zinc/27/87/73/471278773.db2.gz ZZTZYOJTBIUJHI-OQIJWPOYSA-N 2 2 347.503 2.328 10 0 EEAELP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1)c1ccccc1 ZINC000652358043 471278776 /nfs/dbraw/zinc/27/87/76/471278776.db2.gz ZZTZYOJTBIUJHI-OQIJWPOYSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249404 471279805 /nfs/dbraw/zinc/27/98/05/471279805.db2.gz DZIMTIOXFDZNSD-MOPGFXCFSA-N 2 2 342.531 2.414 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249404 471279808 /nfs/dbraw/zinc/27/98/08/471279808.db2.gz DZIMTIOXFDZNSD-MOPGFXCFSA-N 2 2 342.531 2.414 10 0 EEAELP C[C@@H]1C[C@@H](NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249404 471279811 /nfs/dbraw/zinc/27/98/11/471279811.db2.gz DZIMTIOXFDZNSD-MOPGFXCFSA-N 2 2 342.531 2.414 10 0 EEAELP C[C@@H]1C[C@@H](NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249404 471279814 /nfs/dbraw/zinc/27/98/14/471279814.db2.gz DZIMTIOXFDZNSD-MOPGFXCFSA-N 2 2 342.531 2.414 10 0 EEAELP CCc1nc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)sc1C ZINC000666222778 471322038 /nfs/dbraw/zinc/32/20/38/471322038.db2.gz MXJDVWBKZKPWMS-UHFFFAOYSA-N 2 2 327.498 2.019 10 0 EEAELP CCc1nc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)sc1C ZINC000666222778 471322042 /nfs/dbraw/zinc/32/20/42/471322042.db2.gz MXJDVWBKZKPWMS-UHFFFAOYSA-N 2 2 327.498 2.019 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CC2)s1 ZINC000655447397 471329023 /nfs/dbraw/zinc/32/90/23/471329023.db2.gz QSRNFMRDBOQFIT-PKOBYXMFSA-N 2 2 347.528 2.344 10 0 EEAELP 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10 0 EEAELP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000678961136 485551939 /nfs/dbraw/zinc/55/19/39/485551939.db2.gz NYXBPTFZJAGBIF-UHFFFAOYSA-N 2 2 345.447 2.156 10 0 EEAELP CC[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCOC2)O1 ZINC000668096401 485621280 /nfs/dbraw/zinc/62/12/80/485621280.db2.gz GXZMUGFZPRIKSR-ZWKOTPCHSA-N 2 2 328.416 2.037 10 0 EEAELP CC[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCOC2)O1 ZINC000668096401 485621286 /nfs/dbraw/zinc/62/12/86/485621286.db2.gz GXZMUGFZPRIKSR-ZWKOTPCHSA-N 2 2 328.416 2.037 10 0 EEAELP Cc1cccn2cc(CCNC(=O)CCN(C)c3cc[nH+]cc3)[nH+]c12 ZINC000679410245 485688230 /nfs/dbraw/zinc/68/82/30/485688230.db2.gz DJBHRYAIGQLQBV-UHFFFAOYSA-N 2 2 337.427 2.223 10 0 EEAELP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000683928042 485688563 /nfs/dbraw/zinc/68/85/63/485688563.db2.gz SLRIAECUDRTQSX-UHFFFAOYSA-N 2 2 336.427 2.278 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@]23CCC[C@H]2OCC3)([NH+]2CCCCC2)CC1 ZINC000631530148 485812289 /nfs/dbraw/zinc/81/22/89/485812289.db2.gz NBFMEPZEGCXYLN-XLIONFOSSA-N 2 2 349.519 2.012 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3coc4cc(F)ccc34)C2)CC1 ZINC000684441103 485885455 /nfs/dbraw/zinc/88/54/55/485885455.db2.gz XWMPDPLDXNUGKD-AWEZNQCLSA-N 2 2 345.418 2.470 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3coc4cc(F)ccc34)C2)CC1 ZINC000684441103 485885461 /nfs/dbraw/zinc/88/54/61/485885461.db2.gz XWMPDPLDXNUGKD-AWEZNQCLSA-N 2 2 345.418 2.470 10 0 EEAELP CCC(C)(C)N(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000684913035 486035273 /nfs/dbraw/zinc/03/52/73/486035273.db2.gz BTMHOFWLXZQQEJ-SJPCQFCGSA-N 2 2 336.524 2.470 10 0 EEAELP CCC(C)(C)N(C)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000684913035 486035278 /nfs/dbraw/zinc/03/52/78/486035278.db2.gz BTMHOFWLXZQQEJ-SJPCQFCGSA-N 2 2 336.524 2.470 10 0 EEAELP CC[C@H](C)n1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682900515 486580293 /nfs/dbraw/zinc/58/02/93/486580293.db2.gz VAQMELFMKMPATB-HOCLYGCPSA-N 2 2 347.507 2.061 10 0 EEAELP CC[C@H](C)n1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682900515 486580298 /nfs/dbraw/zinc/58/02/98/486580298.db2.gz VAQMELFMKMPATB-HOCLYGCPSA-N 2 2 347.507 2.061 10 0 EEAELP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C[NH+]1CCOCC1 ZINC000153142186 534126101 /nfs/dbraw/zinc/12/61/01/534126101.db2.gz MPFQQRIIZFZWMQ-HZPDHXFCSA-N 2 2 347.459 2.262 10 0 EEAELP COc1ccccc1N1CCC([NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000422838266 537061692 /nfs/dbraw/zinc/06/16/92/537061692.db2.gz NXJQHWXWGCNLIZ-NVXWUHKLSA-N 2 2 333.476 2.021 10 0 EEAELP c1cn(-c2cc(C[NH2+]Cc3cn(-c4ccccc4)nn3)ccn2)c[nH+]1 ZINC000729679795 576671759 /nfs/dbraw/zinc/67/17/59/576671759.db2.gz PQRSCKITQJCZEO-UHFFFAOYSA-N 2 2 331.383 2.138 10 0 EEAELP COC(=O)[C@H]1[C@@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1(F)F ZINC000894777500 683086619 /nfs/dbraw/zinc/08/66/19/683086619.db2.gz QZIRLESCOVTLGB-HUUCEWRRSA-N 2 2 341.402 2.430 10 0 EEAELP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000899220423 693668386 /nfs/dbraw/zinc/66/83/86/693668386.db2.gz BZQCPORYICYLBJ-INIZCTEOSA-N 2 2 339.524 2.209 10 0 EEAELP CC(C)(C)OCCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000899220423 693668388 /nfs/dbraw/zinc/66/83/88/693668388.db2.gz BZQCPORYICYLBJ-INIZCTEOSA-N 2 2 339.524 2.209 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](CCc2ccc(Cl)cc2)C1 ZINC001485539523 1191828217 /nfs/dbraw/zinc/82/82/17/1191828217.db2.gz OYOOFAHNROTLKP-CQSZACIVSA-N 2 2 346.862 2.216 10 0 EEAELP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485615570 1191862936 /nfs/dbraw/zinc/86/29/36/1191862936.db2.gz DZCATXQZQNCYCX-OSMBCOQSSA-N 2 2 342.418 2.147 10 0 EEAELP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485615570 1191862939 /nfs/dbraw/zinc/86/29/39/1191862939.db2.gz DZCATXQZQNCYCX-OSMBCOQSSA-N 2 2 342.418 2.147 10 0 EEAELP C[N@H+](CCCF)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001485757763 1191926225 /nfs/dbraw/zinc/92/62/25/1191926225.db2.gz NZMRGJKSCGIUBY-UHFFFAOYSA-N 2 2 336.455 2.044 10 0 EEAELP C[N@@H+](CCCF)C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001485757763 1191926227 /nfs/dbraw/zinc/92/62/27/1191926227.db2.gz NZMRGJKSCGIUBY-UHFFFAOYSA-N 2 2 336.455 2.044 10 0 EEAELP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485814650 1191978523 /nfs/dbraw/zinc/97/85/23/1191978523.db2.gz CETYYWUMEJILFN-SJLPKXTDSA-N 2 2 332.492 2.318 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001266353663 1176380456 /nfs/dbraw/zinc/38/04/56/1176380456.db2.gz ZKJGOMOPDQXRRE-ZBFHGGJFSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001266353663 1176380465 /nfs/dbraw/zinc/38/04/65/1176380465.db2.gz ZKJGOMOPDQXRRE-ZBFHGGJFSA-N 2 2 338.883 2.012 10 0 EEAELP CCCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266520029 1176722633 /nfs/dbraw/zinc/72/26/33/1176722633.db2.gz DOHKLPOIMFKUJB-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP CCCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266520029 1176722638 /nfs/dbraw/zinc/72/26/38/1176722638.db2.gz DOHKLPOIMFKUJB-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001691305733 1177870316 /nfs/dbraw/zinc/87/03/16/1177870316.db2.gz OTDSEFZKSJLQFO-CXAGYDPISA-N 2 2 345.447 2.056 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267047574 1178147303 /nfs/dbraw/zinc/14/73/03/1178147303.db2.gz OMFLHYQHZIOYAF-YIEVGGLXSA-N 2 2 331.460 2.427 10 0 EEAELP COCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001267274621 1178657974 /nfs/dbraw/zinc/65/79/74/1178657974.db2.gz CCRLVXUPXQWJLI-SFHVURJKSA-N 2 2 342.443 2.103 10 0 EEAELP COCCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001267274621 1178657980 /nfs/dbraw/zinc/65/79/80/1178657980.db2.gz CCRLVXUPXQWJLI-SFHVURJKSA-N 2 2 342.443 2.103 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCC1CC1 ZINC001267284894 1178681586 /nfs/dbraw/zinc/68/15/86/1178681586.db2.gz VYVSWUPLLIKYPK-KRWDZBQOSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCC1CC1 ZINC001267284894 1178681590 /nfs/dbraw/zinc/68/15/90/1178681590.db2.gz VYVSWUPLLIKYPK-KRWDZBQOSA-N 2 2 332.492 2.462 10 0 EEAELP CC[N@@H+](C/C=C/Cl)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001481001426 1179457765 /nfs/dbraw/zinc/45/77/65/1179457765.db2.gz QWCYDOWTWABPHO-AATRIKPKSA-N 2 2 340.855 2.075 10 0 EEAELP CC[N@H+](C/C=C/Cl)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001481001426 1179457769 /nfs/dbraw/zinc/45/77/69/1179457769.db2.gz QWCYDOWTWABPHO-AATRIKPKSA-N 2 2 340.855 2.075 10 0 EEAELP CCCCC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001267682532 1180153510 /nfs/dbraw/zinc/15/35/10/1180153510.db2.gz BJBRFRVKZYTERM-KRWDZBQOSA-N 2 2 333.480 2.028 10 0 EEAELP CCCCC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001267682532 1180153513 /nfs/dbraw/zinc/15/35/13/1180153513.db2.gz BJBRFRVKZYTERM-KRWDZBQOSA-N 2 2 333.480 2.028 10 0 EEAELP COCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001267709678 1180235336 /nfs/dbraw/zinc/23/53/36/1180235336.db2.gz UIAKQHFQXFOQLF-OKZBNKHCSA-N 2 2 348.491 2.182 10 0 EEAELP COCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001267709678 1180235340 /nfs/dbraw/zinc/23/53/40/1180235340.db2.gz UIAKQHFQXFOQLF-OKZBNKHCSA-N 2 2 348.491 2.182 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001481242698 1180418371 /nfs/dbraw/zinc/41/83/71/1180418371.db2.gz SRJOKPUCVYAMFE-ZACQAIPSSA-N 2 2 342.418 2.388 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001481242698 1180418376 /nfs/dbraw/zinc/41/83/76/1180418376.db2.gz SRJOKPUCVYAMFE-ZACQAIPSSA-N 2 2 342.418 2.388 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CCc1ccccc1Cl ZINC001268011211 1180971397 /nfs/dbraw/zinc/97/13/97/1180971397.db2.gz UQLRQYSPEPAHEV-CQSZACIVSA-N 2 2 348.878 2.201 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC[C@@H](C)F ZINC001481350308 1181092751 /nfs/dbraw/zinc/09/27/51/1181092751.db2.gz KMWHVTGVTBRSKL-CVEARBPZSA-N 2 2 338.471 2.410 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC[C@@H](C)F ZINC001481350308 1181092756 /nfs/dbraw/zinc/09/27/56/1181092756.db2.gz KMWHVTGVTBRSKL-CVEARBPZSA-N 2 2 338.471 2.410 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2ccn(CC)n2)C1 ZINC001481412588 1181256085 /nfs/dbraw/zinc/25/60/85/1181256085.db2.gz ZNUQJTWPCSPWCB-SFHVURJKSA-N 2 2 349.523 2.056 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001481412588 1181256090 /nfs/dbraw/zinc/25/60/90/1181256090.db2.gz ZNUQJTWPCSPWCB-SFHVURJKSA-N 2 2 349.523 2.056 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001481412588 1181256098 /nfs/dbraw/zinc/25/60/98/1181256098.db2.gz ZNUQJTWPCSPWCB-SFHVURJKSA-N 2 2 349.523 2.056 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](Cc2ccn(CC)n2)C1 ZINC001481412588 1181256103 /nfs/dbraw/zinc/25/61/03/1181256103.db2.gz ZNUQJTWPCSPWCB-SFHVURJKSA-N 2 2 349.523 2.056 10 0 EEAELP CC[C@H](C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)OC ZINC001481516056 1181621927 /nfs/dbraw/zinc/62/19/27/1181621927.db2.gz LERMAODWHFPWGU-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC[C@H](C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1)OC ZINC001481516056 1181621934 /nfs/dbraw/zinc/62/19/34/1181621934.db2.gz LERMAODWHFPWGU-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC[C@H](C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)OC ZINC001481516056 1181621936 /nfs/dbraw/zinc/62/19/36/1181621936.db2.gz LERMAODWHFPWGU-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC[C@H](C[N@@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1)OC ZINC001481516056 1181621941 /nfs/dbraw/zinc/62/19/41/1181621941.db2.gz LERMAODWHFPWGU-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC3C[NH+](CCCOC(C)C)C3)ccn12 ZINC001481625318 1181919536 /nfs/dbraw/zinc/91/95/36/1181919536.db2.gz CSRNZXJAFYOCAQ-UHFFFAOYSA-N 2 2 344.459 2.119 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1 ZINC001481770948 1182664790 /nfs/dbraw/zinc/66/47/90/1182664790.db2.gz PEHHKPFBGSUMJB-OAHLLOKOSA-N 2 2 347.488 2.079 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC001481770948 1182664794 /nfs/dbraw/zinc/66/47/94/1182664794.db2.gz PEHHKPFBGSUMJB-OAHLLOKOSA-N 2 2 347.488 2.079 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)s1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268458398 1182737220 /nfs/dbraw/zinc/73/72/20/1182737220.db2.gz MJRNMMGXFOXNFG-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001482000056 1183113706 /nfs/dbraw/zinc/11/37/06/1183113706.db2.gz DVDDMHGCJXUSKW-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC(CC[NH2+]CCCF)CC1 ZINC001481999958 1183113764 /nfs/dbraw/zinc/11/37/64/1183113764.db2.gz BIXLVNYUTANVOU-INIZCTEOSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001482016482 1183134575 /nfs/dbraw/zinc/13/45/75/1183134575.db2.gz FPDKKGYVEHVPOY-BRWVUGGUSA-N 2 2 348.491 2.176 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001482016482 1183134581 /nfs/dbraw/zinc/13/45/81/1183134581.db2.gz FPDKKGYVEHVPOY-BRWVUGGUSA-N 2 2 348.491 2.176 10 0 EEAELP CCOCCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001482018117 1183138636 /nfs/dbraw/zinc/13/86/36/1183138636.db2.gz BIJLCSKWEIIHBY-WKILWMFISA-N 2 2 344.459 2.392 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1Cl)C(=O)Cc1c[nH+]cn1C ZINC001268916107 1183825134 /nfs/dbraw/zinc/82/51/34/1183825134.db2.gz XRZMGHHOJSWVOR-UHFFFAOYSA-N 2 2 334.851 2.254 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001269025899 1183905659 /nfs/dbraw/zinc/90/56/59/1183905659.db2.gz KKKOXPRQFFVVNQ-PUBSZHEZSA-N 2 2 345.491 2.337 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001269025899 1183905666 /nfs/dbraw/zinc/90/56/66/1183905666.db2.gz KKKOXPRQFFVVNQ-PUBSZHEZSA-N 2 2 345.491 2.337 10 0 EEAELP CC/C=C/CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001269025899 1183905669 /nfs/dbraw/zinc/90/56/69/1183905669.db2.gz KKKOXPRQFFVVNQ-PUBSZHEZSA-N 2 2 345.491 2.337 10 0 EEAELP CC/C=C/CC[NH+]1CC[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001269025899 1183905675 /nfs/dbraw/zinc/90/56/75/1183905675.db2.gz KKKOXPRQFFVVNQ-PUBSZHEZSA-N 2 2 345.491 2.337 10 0 EEAELP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001269558743 1184388748 /nfs/dbraw/zinc/38/87/48/1184388748.db2.gz GFOXKTOXBATHJV-INIZCTEOSA-N 2 2 330.476 2.430 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001269742187 1184580240 /nfs/dbraw/zinc/58/02/40/1184580240.db2.gz SPSGCAOJJSKMNZ-CQSZACIVSA-N 2 2 347.488 2.217 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001269742187 1184580244 /nfs/dbraw/zinc/58/02/44/1184580244.db2.gz SPSGCAOJJSKMNZ-CQSZACIVSA-N 2 2 347.488 2.217 10 0 EEAELP Cc1ccncc1C[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001269926854 1184723911 /nfs/dbraw/zinc/72/39/11/1184723911.db2.gz GKCYSCDLXPXCDL-UHFFFAOYSA-N 2 2 341.459 2.074 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001691506091 1184848018 /nfs/dbraw/zinc/84/80/18/1184848018.db2.gz FHURHJQFEIWPKK-KQFSBCPLSA-N 2 2 330.476 2.286 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)C[NH2+]CCc1ccccc1 ZINC001270436257 1185097188 /nfs/dbraw/zinc/09/71/88/1185097188.db2.gz MBVFBNFQGVKPQU-SJLPKXTDSA-N 2 2 340.471 2.030 10 0 EEAELP C[C@@H](C[NH2+]Cc1cncs1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001482308455 1185267990 /nfs/dbraw/zinc/26/79/90/1185267990.db2.gz JHNMJWGEQFGKTF-LBPRGKRZSA-N 2 2 329.429 2.041 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482349237 1185478019 /nfs/dbraw/zinc/47/80/19/1185478019.db2.gz SXXHCRLEDVKNFG-ZDUSSCGKSA-N 2 2 334.851 2.285 10 0 EEAELP COCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001482472641 1186004585 /nfs/dbraw/zinc/00/45/85/1186004585.db2.gz OCVVEULSPUHTQG-KGLIPLIRSA-N 2 2 330.432 2.040 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001271544117 1186303418 /nfs/dbraw/zinc/30/34/18/1186303418.db2.gz NGGPGLJBEGYZCF-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCOC1 ZINC001271544117 1186303422 /nfs/dbraw/zinc/30/34/22/1186303422.db2.gz NGGPGLJBEGYZCF-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP CC/C(C)=C\C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1 ZINC001271911329 1186613007 /nfs/dbraw/zinc/61/30/07/1186613007.db2.gz DVWLUSJOHBPVNK-WWVZVDDJSA-N 2 2 337.508 2.080 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2scnc2C)c[nH+]1 ZINC001482842330 1187761671 /nfs/dbraw/zinc/76/16/71/1187761671.db2.gz AFONVDNTWARLDC-GFCCVEGCSA-N 2 2 349.504 2.376 10 0 EEAELP CC(C)(C(=O)NC/C=C\C[NH2+]Cc1ncc(C2CC2)o1)[NH+]1CCCC1 ZINC001483043457 1188200087 /nfs/dbraw/zinc/20/00/87/1188200087.db2.gz VGWVWDZBWUSPNW-ARJAWSKDSA-N 2 2 346.475 2.188 10 0 EEAELP Cc1ccncc1CONC(=[NH2+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000842040463 1188240043 /nfs/dbraw/zinc/24/00/43/1188240043.db2.gz YBLPCBCSRLOYCR-GOSISDBHSA-N 2 2 340.427 2.289 10 0 EEAELP Cc1ccncc1CONC(=[NH2+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000842040463 1188240049 /nfs/dbraw/zinc/24/00/49/1188240049.db2.gz YBLPCBCSRLOYCR-GOSISDBHSA-N 2 2 340.427 2.289 10 0 EEAELP CCc1ccccc1CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001409428814 1189663957 /nfs/dbraw/zinc/66/39/57/1189663957.db2.gz ZCYXCIGWCDFXOZ-JKSUJKDBSA-N 2 2 342.487 2.251 10 0 EEAELP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@H+](C)CC1CCCC1 ZINC001409563622 1190039847 /nfs/dbraw/zinc/03/98/47/1190039847.db2.gz GBCQTDVANWSSAL-HNNXBMFYSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[N@@H+](C)CC1CCCC1 ZINC001409563622 1190039850 /nfs/dbraw/zinc/03/98/50/1190039850.db2.gz GBCQTDVANWSSAL-HNNXBMFYSA-N 2 2 332.492 2.389 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001409571481 1190051577 /nfs/dbraw/zinc/05/15/77/1190051577.db2.gz IMYKMVFOVKQBFR-LBPRGKRZSA-N 2 2 341.402 2.115 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001409571481 1190051583 /nfs/dbraw/zinc/05/15/83/1190051583.db2.gz IMYKMVFOVKQBFR-LBPRGKRZSA-N 2 2 341.402 2.115 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001409623507 1190117027 /nfs/dbraw/zinc/11/70/27/1190117027.db2.gz KREBDLJPSWHQIN-CHWSQXEVSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001409623507 1190117031 /nfs/dbraw/zinc/11/70/31/1190117031.db2.gz KREBDLJPSWHQIN-CHWSQXEVSA-N 2 2 335.477 2.236 10 0 EEAELP CC(C)Oc1cccc(C[N@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001409694752 1190204373 /nfs/dbraw/zinc/20/43/73/1190204373.db2.gz PTTLNWNRYDYYHB-MRXNPFEDSA-N 2 2 344.459 2.307 10 0 EEAELP CC(C)Oc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001409694752 1190204377 /nfs/dbraw/zinc/20/43/77/1190204377.db2.gz PTTLNWNRYDYYHB-MRXNPFEDSA-N 2 2 344.459 2.307 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483351646 1190387703 /nfs/dbraw/zinc/38/77/03/1190387703.db2.gz AZYYBDLCJIDZKI-WCQYABFASA-N 2 2 344.912 2.217 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483351646 1190387706 /nfs/dbraw/zinc/38/77/06/1190387706.db2.gz AZYYBDLCJIDZKI-WCQYABFASA-N 2 2 344.912 2.217 10 0 EEAELP C[C@@H](C[NH+](C)Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483351646 1190387709 /nfs/dbraw/zinc/38/77/09/1190387709.db2.gz AZYYBDLCJIDZKI-WCQYABFASA-N 2 2 344.912 2.217 10 0 EEAELP C[C@@H](C[NH+](C)Cc1cnc(Cl)s1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483351646 1190387712 /nfs/dbraw/zinc/38/77/12/1190387712.db2.gz AZYYBDLCJIDZKI-WCQYABFASA-N 2 2 344.912 2.217 10 0 EEAELP C[C@@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1c[nH+]cn1C ZINC001483415190 1190462856 /nfs/dbraw/zinc/46/28/56/1190462856.db2.gz MTNRZIUDAORMKO-KXBFYZLASA-N 2 2 340.471 2.477 10 0 EEAELP C[C@@H](C[N@@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1c[nH+]cn1C ZINC001483415190 1190462860 /nfs/dbraw/zinc/46/28/60/1190462860.db2.gz MTNRZIUDAORMKO-KXBFYZLASA-N 2 2 340.471 2.477 10 0 EEAELP C[C@@H](C[N@H+](C)CC[C@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001483426552 1190473467 /nfs/dbraw/zinc/47/34/67/1190473467.db2.gz FAEOTJMNPNQPNP-FUHWJXTLSA-N 2 2 340.471 2.440 10 0 EEAELP C[C@@H](C[N@@H+](C)CC[C@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001483426552 1190473468 /nfs/dbraw/zinc/47/34/68/1190473468.db2.gz FAEOTJMNPNQPNP-FUHWJXTLSA-N 2 2 340.471 2.440 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001483670702 1190730444 /nfs/dbraw/zinc/73/04/44/1190730444.db2.gz QFCJZBDNCSCRBT-QGZVFWFLSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001483670702 1190730448 /nfs/dbraw/zinc/73/04/48/1190730448.db2.gz QFCJZBDNCSCRBT-QGZVFWFLSA-N 2 2 333.451 2.391 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001272320712 1190759632 /nfs/dbraw/zinc/75/96/32/1190759632.db2.gz CMBWRATUNISVCL-IRXDYDNUSA-N 2 2 348.491 2.034 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001272511448 1190861252 /nfs/dbraw/zinc/86/12/52/1190861252.db2.gz BNKMWODYPURUFG-INIZCTEOSA-N 2 2 344.434 2.441 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001272574654 1190889503 /nfs/dbraw/zinc/88/95/03/1190889503.db2.gz SOTSIBPYZUZVCC-IHKLICDZSA-N 2 2 336.867 2.104 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001272654661 1190966517 /nfs/dbraw/zinc/96/65/17/1190966517.db2.gz ZTLDZFQBYKIAAC-CQSZACIVSA-N 2 2 346.397 2.444 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001483778654 1191023174 /nfs/dbraw/zinc/02/31/74/1191023174.db2.gz JBHWFRVHUVJVCQ-HNNXBMFYSA-N 2 2 328.391 2.017 10 0 EEAELP CC[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1CC ZINC001484324672 1191305453 /nfs/dbraw/zinc/30/54/53/1191305453.db2.gz VRJAGLNDZQPQHF-SJLPKXTDSA-N 2 2 340.471 2.475 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCCF ZINC001484466946 1191371585 /nfs/dbraw/zinc/37/15/85/1191371585.db2.gz YHWYDRHSJIBDAK-SJORKVTESA-N 2 2 336.455 2.466 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCCF ZINC001484466946 1191371586 /nfs/dbraw/zinc/37/15/86/1191371586.db2.gz YHWYDRHSJIBDAK-SJORKVTESA-N 2 2 336.455 2.466 10 0 EEAELP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001484526772 1191395565 /nfs/dbraw/zinc/39/55/65/1191395565.db2.gz HQHSFKYAFYEFFQ-IRXDYDNUSA-N 2 2 330.476 2.240 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@H](CC[NH2+]Cc2cncs2)C1)n1cc[nH+]c1 ZINC001484541360 1191406297 /nfs/dbraw/zinc/40/62/97/1191406297.db2.gz LDTFZWCSFZEGIB-GJZGRUSLSA-N 2 2 347.488 2.319 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001484646642 1191452830 /nfs/dbraw/zinc/45/28/30/1191452830.db2.gz UFAZMPHBAPYCFW-IXDOHACOSA-N 2 2 330.476 2.338 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484772122 1191514612 /nfs/dbraw/zinc/51/46/12/1191514612.db2.gz LXQLIFFPIKBWGB-SJORKVTESA-N 2 2 348.491 2.082 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484772122 1191514613 /nfs/dbraw/zinc/51/46/13/1191514613.db2.gz LXQLIFFPIKBWGB-SJORKVTESA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001484828739 1191537394 /nfs/dbraw/zinc/53/73/94/1191537394.db2.gz CDHNOMGKGKZEOB-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001484828739 1191537396 /nfs/dbraw/zinc/53/73/96/1191537396.db2.gz CDHNOMGKGKZEOB-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP C[C@H](CC(=O)N1CCC(C)([NH2+]CC[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001484924223 1191577198 /nfs/dbraw/zinc/57/71/98/1191577198.db2.gz LIEAZBAVMBRMRO-IAGOWNOFSA-N 2 2 348.491 2.232 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC1CC(C[NH2+]CCc2cccs2)C1 ZINC001485108522 1191657141 /nfs/dbraw/zinc/65/71/41/1191657141.db2.gz GJJQQHOEBZSBPS-UHFFFAOYSA-N 2 2 346.500 2.141 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001485177154 1191677639 /nfs/dbraw/zinc/67/76/39/1191677639.db2.gz NBIDDLZGVZHMFL-CHWSQXEVSA-N 2 2 335.839 2.005 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)oc1C ZINC001486424976 1193939075 /nfs/dbraw/zinc/93/90/75/1193939075.db2.gz YVOOLWSCLVENGW-HNNXBMFYSA-N 2 2 336.480 2.008 10 0 EEAELP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001486478085 1193992928 /nfs/dbraw/zinc/99/29/28/1193992928.db2.gz MZYIESHUZBKEEV-UQPPLGOBSA-N 2 2 341.459 2.071 10 0 EEAELP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001486478085 1193992931 /nfs/dbraw/zinc/99/29/31/1193992931.db2.gz MZYIESHUZBKEEV-UQPPLGOBSA-N 2 2 341.459 2.071 10 0 EEAELP CCO[C@H](C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C1CC1 ZINC001486480988 1193994722 /nfs/dbraw/zinc/99/47/22/1193994722.db2.gz VWXUAJLBCFNWET-UYSNPLJNSA-N 2 2 348.491 2.081 10 0 EEAELP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)[C@H](C[NH2+]Cc1ccccn1)C1CC1 ZINC001410331017 1197713367 /nfs/dbraw/zinc/71/33/67/1197713367.db2.gz ZJOSRDXQVRMNKV-MRXNPFEDSA-N 2 2 341.459 2.109 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147221 1198055418 /nfs/dbraw/zinc/05/54/18/1198055418.db2.gz GESYEQQTOZQVAZ-VHDGCEQUSA-N 2 2 343.393 2.103 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147221 1198055424 /nfs/dbraw/zinc/05/54/24/1198055424.db2.gz GESYEQQTOZQVAZ-VHDGCEQUSA-N 2 2 343.393 2.103 10 0 EEAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000866115693 1201436917 /nfs/dbraw/zinc/43/69/17/1201436917.db2.gz VCMZJWKEPNIZKW-VSZNYVQBSA-N 2 2 333.520 2.345 10 0 EEAELP C[C@@H](C[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)NC(=O)OC(C)(C)C ZINC000866413017 1201511739 /nfs/dbraw/zinc/51/17/39/1201511739.db2.gz DXFOYJLPVKRACD-KKUMJFAQSA-N 2 2 343.512 2.113 10 0 EEAELP C[C@@H](C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)NC(=O)OC(C)(C)C ZINC000866413017 1201511741 /nfs/dbraw/zinc/51/17/41/1201511741.db2.gz DXFOYJLPVKRACD-KKUMJFAQSA-N 2 2 343.512 2.113 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000866673405 1201576569 /nfs/dbraw/zinc/57/65/69/1201576569.db2.gz BOZPYSMRADFQRW-HZPDHXFCSA-N 2 2 330.476 2.142 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C[C@H]1C[NH3+] ZINC000866673405 1201576574 /nfs/dbraw/zinc/57/65/74/1201576574.db2.gz BOZPYSMRADFQRW-HZPDHXFCSA-N 2 2 330.476 2.142 10 0 EEAELP C[NH+](C)C1(C)CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000869006783 1201922721 /nfs/dbraw/zinc/92/27/21/1201922721.db2.gz DCZWZQZAEZCUGQ-UHFFFAOYSA-N 2 2 345.491 2.176 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001691732165 1204238956 /nfs/dbraw/zinc/23/89/56/1204238956.db2.gz JTXSRHCKTGSTOH-DYVFJYSZSA-N 2 2 345.447 2.056 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001274140712 1204402249 /nfs/dbraw/zinc/40/22/49/1204402249.db2.gz BSARPNLKXVCYOF-ZMUQKWFASA-N 2 2 338.455 2.216 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001274371937 1205010151 /nfs/dbraw/zinc/01/01/51/1205010151.db2.gz ZSVIOYSMRACDPR-PJHKVULZSA-N 2 2 338.455 2.294 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)oc1C ZINC001274611651 1205098007 /nfs/dbraw/zinc/09/80/07/1205098007.db2.gz VPRJNHMQWZUHCA-OOFWQKGWSA-N 2 2 348.491 2.174 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274624884 1205103236 /nfs/dbraw/zinc/10/32/36/1205103236.db2.gz SSJBSIHPKYVNBM-CVEARBPZSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@H]1C ZINC001274624884 1205103238 /nfs/dbraw/zinc/10/32/38/1205103238.db2.gz SSJBSIHPKYVNBM-CVEARBPZSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274624884 1205103240 /nfs/dbraw/zinc/10/32/40/1205103240.db2.gz SSJBSIHPKYVNBM-CVEARBPZSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@H]1C ZINC001274624884 1205103244 /nfs/dbraw/zinc/10/32/44/1205103244.db2.gz SSJBSIHPKYVNBM-CVEARBPZSA-N 2 2 336.480 2.127 10 0 EEAELP Cc1ncsc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275452479 1205367539 /nfs/dbraw/zinc/36/75/39/1205367539.db2.gz PTFLRKZTDLAIII-VXGBXAGGSA-N 2 2 343.456 2.396 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001275505544 1205388051 /nfs/dbraw/zinc/38/80/51/1205388051.db2.gz XNGGWVUWIZKDIN-HOTGVXAUSA-N 2 2 344.459 2.131 10 0 EEAELP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001412545084 1205758691 /nfs/dbraw/zinc/75/86/91/1205758691.db2.gz VGMDOOSPEILYGY-RUJXFNLJSA-N 2 2 329.488 2.432 10 0 EEAELP COc1ccc([C@H](C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)N(C)C)cc1OC ZINC000925623798 1206137080 /nfs/dbraw/zinc/13/70/80/1206137080.db2.gz XBAQQYAUVHKEFR-JCGIZDLHSA-N 2 2 333.476 2.166 10 0 EEAELP Cc1cc(F)ccc1[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000926224776 1206205600 /nfs/dbraw/zinc/20/56/00/1206205600.db2.gz QYYQUKYXGGLDCO-OAHLLOKOSA-N 2 2 338.471 2.378 10 0 EEAELP Cc1cc(F)ccc1[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000926224776 1206205602 /nfs/dbraw/zinc/20/56/02/1206205602.db2.gz QYYQUKYXGGLDCO-OAHLLOKOSA-N 2 2 338.471 2.378 10 0 EEAELP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926332391 1206214121 /nfs/dbraw/zinc/21/41/21/1206214121.db2.gz XOGYCGIFJSOPBB-MWTAGDMHSA-N 2 2 347.425 2.439 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C1CC(Sc2ccccc2)C1 ZINC000926751240 1206240895 /nfs/dbraw/zinc/24/08/95/1206240895.db2.gz ZOCMMILQSDKCFG-PREGVCBESA-N 2 2 333.501 2.239 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C1CC(Sc2ccccc2)C1 ZINC000926751240 1206240896 /nfs/dbraw/zinc/24/08/96/1206240896.db2.gz ZOCMMILQSDKCFG-PREGVCBESA-N 2 2 333.501 2.239 10 0 EEAELP O[C@H](COc1ccc2cc[nH]c2c1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804945 1206503982 /nfs/dbraw/zinc/50/39/82/1206503982.db2.gz ZZHPYEUGWDAZNM-KRWDZBQOSA-N 2 2 340.427 2.441 10 0 EEAELP Cc1ccc(N2CC[C@H]([NH+]3C[C@@]4(C)C[NH+](C)C[C@]4(C)C3)C2=O)cc1 ZINC000931310447 1206623612 /nfs/dbraw/zinc/62/36/12/1206623612.db2.gz KKPHIWZMFHIENQ-DFQSSKMNSA-N 2 2 327.472 2.374 10 0 EEAELP c1cncc([C@H]2C[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCO2)c1 ZINC001413236611 1234953877 /nfs/dbraw/zinc/95/38/77/1234953877.db2.gz ZXBJNEZXIBQDNB-GUDVDZBRSA-N 2 2 331.460 2.145 10 0 EEAELP CC[C@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCOCC1 ZINC000902835615 1238661080 /nfs/dbraw/zinc/66/10/80/1238661080.db2.gz LIZALTDDLMTGFW-QAPCUYQASA-N 2 2 342.443 2.160 10 0 EEAELP CC(C)OCC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001491354407 1258986437 /nfs/dbraw/zinc/98/64/37/1258986437.db2.gz KJSZRTNBZAWDEY-UHFFFAOYSA-N 2 2 344.459 2.390 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273456475 1278432728 /nfs/dbraw/zinc/43/27/28/1278432728.db2.gz AWZVOOGFKPIVEG-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)on1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001273771749 1285343179 /nfs/dbraw/zinc/34/31/79/1285343179.db2.gz LFTPNHLMTMPJIY-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1nocc1C)[NH+](CC)CC ZINC001493135971 1290181178 /nfs/dbraw/zinc/18/11/78/1290181178.db2.gz OLFJFWHFNWCENB-DOTOQJQBSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1nocc1C)[NH+](CC)CC ZINC001493135971 1290181183 /nfs/dbraw/zinc/18/11/83/1290181183.db2.gz OLFJFWHFNWCENB-DOTOQJQBSA-N 2 2 336.480 2.184 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1sccc1Cl ZINC001490286889 1291118693 /nfs/dbraw/zinc/11/86/93/1291118693.db2.gz ZZXZDRSHIOSRLC-UHFFFAOYSA-N 2 2 326.853 2.236 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1sccc1Cl ZINC001490286889 1291118699 /nfs/dbraw/zinc/11/86/99/1291118699.db2.gz ZZXZDRSHIOSRLC-UHFFFAOYSA-N 2 2 326.853 2.236 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001490722071 1291606971 /nfs/dbraw/zinc/60/69/71/1291606971.db2.gz HZYYIWKUYMKXNH-LRDDRELGSA-N 2 2 332.473 2.334 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001490722071 1291606984 /nfs/dbraw/zinc/60/69/84/1291606984.db2.gz HZYYIWKUYMKXNH-LRDDRELGSA-N 2 2 332.473 2.334 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760632 1292189473 /nfs/dbraw/zinc/18/94/73/1292189473.db2.gz JVYVCYGCTIHJIQ-MSOLQXFVSA-N 2 2 347.459 2.054 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760632 1292189480 /nfs/dbraw/zinc/18/94/80/1292189480.db2.gz JVYVCYGCTIHJIQ-MSOLQXFVSA-N 2 2 347.459 2.054 10 0 EEAELP Cc1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cnc2ccccc12 ZINC000855414316 1293208374 /nfs/dbraw/zinc/20/83/74/1293208374.db2.gz APALJICTZYMOHB-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP Cc1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cnc2ccccc12 ZINC000855414316 1293208379 /nfs/dbraw/zinc/20/83/79/1293208379.db2.gz APALJICTZYMOHB-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP COC(=O)c1nc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccc1Cl ZINC000858433537 1294116765 /nfs/dbraw/zinc/11/67/65/1294116765.db2.gz ZYCHRYFZIBBLDI-NSHDSACASA-N 2 2 325.840 2.484 10 0 EEAELP COC(=O)c1nc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)ccc1Cl ZINC000858433537 1294116768 /nfs/dbraw/zinc/11/67/68/1294116768.db2.gz ZYCHRYFZIBBLDI-NSHDSACASA-N 2 2 325.840 2.484 10 0 EEAELP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000926861247 1296943370 /nfs/dbraw/zinc/94/33/70/1296943370.db2.gz YCNWAYQLRCPKOA-AYBZRNKSSA-N 2 2 342.487 2.440 10 0 EEAELP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000926861247 1296943372 /nfs/dbraw/zinc/94/33/72/1296943372.db2.gz YCNWAYQLRCPKOA-AYBZRNKSSA-N 2 2 342.487 2.440 10 0 EEAELP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000796779561 1304579020 /nfs/dbraw/zinc/57/90/20/1304579020.db2.gz OZBKTMWJECABJZ-YTQUADARSA-N 2 2 340.471 2.260 10 0 EEAELP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000796779561 1304579024 /nfs/dbraw/zinc/57/90/24/1304579024.db2.gz OZBKTMWJECABJZ-YTQUADARSA-N 2 2 340.471 2.260 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001118303186 1306340742 /nfs/dbraw/zinc/34/07/42/1306340742.db2.gz GJOJHNHRJQNYDU-QGZVFWFLSA-N 2 2 349.523 2.362 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001118303186 1306340757 /nfs/dbraw/zinc/34/07/57/1306340757.db2.gz GJOJHNHRJQNYDU-QGZVFWFLSA-N 2 2 349.523 2.362 10 0 EEAELP CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278405019 1310084276 /nfs/dbraw/zinc/08/42/76/1310084276.db2.gz KHKHKDGFZKGGEI-WMZOPIPTSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278405019 1310084288 /nfs/dbraw/zinc/08/42/88/1310084288.db2.gz KHKHKDGFZKGGEI-WMZOPIPTSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH+]cn1C ZINC001278408377 1310112778 /nfs/dbraw/zinc/11/27/78/1310112778.db2.gz DHPYSVOQWJMBMQ-SJLPKXTDSA-N 2 2 340.471 2.174 10 0 EEAELP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1I ZINC000841063714 1315465387 /nfs/dbraw/zinc/46/53/87/1315465387.db2.gz MYNSILBVIGZVNC-GXFFZTMASA-N 2 2 330.213 2.379 10 0 EEAELP C[C@@]1(C[NH2+]CC=C(Cl)Cl)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001278556199 1317223066 /nfs/dbraw/zinc/22/30/66/1317223066.db2.gz KZHYGJCGGLYVMN-AWEZNQCLSA-N 2 2 331.247 2.099 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001278571463 1317258388 /nfs/dbraw/zinc/25/83/88/1317258388.db2.gz HDZNPTICHMYNHF-OAHLLOKOSA-N 2 2 345.274 2.110 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1CC[NH2+]CC1CC1 ZINC001264514628 1322719415 /nfs/dbraw/zinc/71/94/15/1322719415.db2.gz CUUMTDPBVQOJQB-NVXWUHKLSA-N 2 2 332.492 2.370 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)[C@@H](C)c1ncc(C)o1 ZINC001265123883 1322932796 /nfs/dbraw/zinc/93/27/96/1322932796.db2.gz UXLYYNLBKPDXDI-HNNXBMFYSA-N 2 2 333.436 2.077 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)[C@H](C)c1ncc(C)o1 ZINC001265123884 1322932853 /nfs/dbraw/zinc/93/28/53/1322932853.db2.gz UXLYYNLBKPDXDI-OAHLLOKOSA-N 2 2 333.436 2.077 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1c(C)nsc1C ZINC001265143914 1322946010 /nfs/dbraw/zinc/94/60/10/1322946010.db2.gz VFUQNWFKRRPNLR-UHFFFAOYSA-N 2 2 349.504 2.362 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001265478438 1323175096 /nfs/dbraw/zinc/17/50/96/1323175096.db2.gz DBGXJAZLAMYSKJ-HKELOZAFSA-N 2 2 345.491 2.383 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001265478438 1323175104 /nfs/dbraw/zinc/17/51/04/1323175104.db2.gz DBGXJAZLAMYSKJ-HKELOZAFSA-N 2 2 345.491 2.383 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCc1ccccc1 ZINC001265792179 1323383265 /nfs/dbraw/zinc/38/32/65/1323383265.db2.gz JDSVIMZIVUQDSY-FUHWJXTLSA-N 2 2 340.471 2.173 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001265914163 1323483090 /nfs/dbraw/zinc/48/30/90/1323483090.db2.gz FPCUZUODSJPPHB-SJORKVTESA-N 2 2 330.476 2.216 10 0 EEAELP O=C(NCCC[N@@H+](C/C=C/Cl)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001266145375 1323714960 /nfs/dbraw/zinc/71/49/60/1323714960.db2.gz RORAQMRSTVPEEI-UWTJGZSJSA-N 2 2 336.867 2.169 10 0 EEAELP O=C(NCCC[N@H+](C/C=C/Cl)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001266145375 1323714965 /nfs/dbraw/zinc/71/49/65/1323714965.db2.gz RORAQMRSTVPEEI-UWTJGZSJSA-N 2 2 336.867 2.169 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001282487760 1325731528 /nfs/dbraw/zinc/73/15/28/1325731528.db2.gz YCPQMJVUCIPRGG-ZYHUDNBSSA-N 2 2 347.290 2.281 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001282487760 1325731530 /nfs/dbraw/zinc/73/15/30/1325731530.db2.gz YCPQMJVUCIPRGG-ZYHUDNBSSA-N 2 2 347.290 2.281 10 0 EEAELP CC(C)OCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001283061753 1325904546 /nfs/dbraw/zinc/90/45/46/1325904546.db2.gz IPWARBJFLGKNSG-WKILWMFISA-N 2 2 344.459 2.247 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]Cc2cccnc2)c[nH+]1 ZINC001283191048 1325950507 /nfs/dbraw/zinc/95/05/07/1325950507.db2.gz GUUSCQKRYSZQLH-HNNXBMFYSA-N 2 2 343.475 2.396 10 0 EEAELP C[C@H](CCC[NH2+]Cc1ccc(F)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001283259065 1325975745 /nfs/dbraw/zinc/97/57/45/1325975745.db2.gz DZKLDCBEXILXLF-CQSZACIVSA-N 2 2 332.423 2.176 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCc2ccccc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001283921060 1326320607 /nfs/dbraw/zinc/32/06/07/1326320607.db2.gz BOFDQMVVOCIVOO-DOTOQJQBSA-N 2 2 326.444 2.164 10 0 EEAELP COCCC[NH2+][C@@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)CC1(C)C ZINC001284309721 1326498758 /nfs/dbraw/zinc/49/87/58/1326498758.db2.gz KTCWDZPRCPDWSQ-MRXNPFEDSA-N 2 2 333.476 2.484 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001491809340 1330277899 /nfs/dbraw/zinc/27/78/99/1330277899.db2.gz VAMHDSBLJKVTRO-GOSISDBHSA-N 2 2 340.471 2.413 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CCCc2ccccc2)C1 ZINC001491809340 1330277901 /nfs/dbraw/zinc/27/79/01/1330277901.db2.gz VAMHDSBLJKVTRO-GOSISDBHSA-N 2 2 340.471 2.413 10 0 EEAELP Cc1cncc(C[NH2+][C@H](C)CCNC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001492089682 1330996804 /nfs/dbraw/zinc/99/68/04/1330996804.db2.gz FJQQWNXYUQCCOG-CVEARBPZSA-N 2 2 329.448 2.222 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1CC1CC(F)(F)C1 ZINC001492179026 1331057977 /nfs/dbraw/zinc/05/79/77/1331057977.db2.gz UZVMBTMSEGWXKH-HNNXBMFYSA-N 2 2 340.418 2.289 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001492179026 1331057983 /nfs/dbraw/zinc/05/79/83/1331057983.db2.gz UZVMBTMSEGWXKH-HNNXBMFYSA-N 2 2 340.418 2.289 10 0 EEAELP COCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317378465 1332205064 /nfs/dbraw/zinc/20/50/64/1332205064.db2.gz XUOZZKWFANKIPA-BRWVUGGUSA-N 2 2 348.491 2.253 10 0 EEAELP COCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001317378465 1332205066 /nfs/dbraw/zinc/20/50/66/1332205066.db2.gz XUOZZKWFANKIPA-BRWVUGGUSA-N 2 2 348.491 2.253 10 0 EEAELP COCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317378465 1332205069 /nfs/dbraw/zinc/20/50/69/1332205069.db2.gz XUOZZKWFANKIPA-BRWVUGGUSA-N 2 2 348.491 2.253 10 0 EEAELP COCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001317378465 1332205073 /nfs/dbraw/zinc/20/50/73/1332205073.db2.gz XUOZZKWFANKIPA-BRWVUGGUSA-N 2 2 348.491 2.253 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)NCC[N@H+](CC2=CCCCC2)C2CC2)no1 ZINC001317553035 1332295331 /nfs/dbraw/zinc/29/53/31/1332295331.db2.gz FBWJBITWKKAGRA-UHFFFAOYSA-N 2 2 346.475 2.431 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)NCC[N@@H+](CC2=CCCCC2)C2CC2)no1 ZINC001317553035 1332295334 /nfs/dbraw/zinc/29/53/34/1332295334.db2.gz FBWJBITWKKAGRA-UHFFFAOYSA-N 2 2 346.475 2.431 10 0 EEAELP CN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317598357 1332318229 /nfs/dbraw/zinc/31/82/29/1332318229.db2.gz QQAYEGYIAYQDLC-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP CN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317598357 1332318233 /nfs/dbraw/zinc/31/82/33/1332318233.db2.gz QQAYEGYIAYQDLC-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001317606803 1332322665 /nfs/dbraw/zinc/32/26/65/1332322665.db2.gz VXELHHOSLCNKGB-SFHVURJKSA-N 2 2 340.471 2.045 10 0 EEAELP CN(CC[NH2+]CCCCC(F)(F)F)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317606593 1332323019 /nfs/dbraw/zinc/32/30/19/1332323019.db2.gz RBUQONMWPDCTRX-CYBMUJFWSA-N 2 2 346.397 2.226 10 0 EEAELP Cc1ccncc1C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001317728197 1332391146 /nfs/dbraw/zinc/39/11/46/1332391146.db2.gz FWVCHBBJUFONMB-LJQANCHMSA-N 2 2 349.438 2.234 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1 ZINC001318232391 1332494044 /nfs/dbraw/zinc/49/40/44/1332494044.db2.gz HDEHGYXCOGITCZ-OALUTQOASA-N 2 2 342.487 2.133 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1 ZINC001318232391 1332494046 /nfs/dbraw/zinc/49/40/46/1332494046.db2.gz HDEHGYXCOGITCZ-OALUTQOASA-N 2 2 342.487 2.133 10 0 EEAELP CC(C)OCCC[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001319477195 1332709274 /nfs/dbraw/zinc/70/92/74/1332709274.db2.gz LYBYERQDFLCLES-CQSZACIVSA-N 2 2 332.448 2.428 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)sn1 ZINC001319790999 1332769421 /nfs/dbraw/zinc/76/94/21/1332769421.db2.gz OKJNHUGZEYJSFJ-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)on1 ZINC001319791549 1332769811 /nfs/dbraw/zinc/76/98/11/1332769811.db2.gz MSFPZJFVQVLJTK-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP O=C(NCC[NH+]1CC=CC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001320053018 1332816667 /nfs/dbraw/zinc/81/66/67/1332816667.db2.gz JAZSZZPKJPJGNM-KRWDZBQOSA-N 2 2 342.487 2.481 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001320780566 1332951595 /nfs/dbraw/zinc/95/15/95/1332951595.db2.gz UFVLAFUPBOYIAG-GOSISDBHSA-N 2 2 340.471 2.126 10 0 EEAELP CCN(CC[NH2+]Cc1csc(C2CC2)n1)C(=O)Cn1c[nH+]cc1C ZINC001320798004 1332954738 /nfs/dbraw/zinc/95/47/38/1332954738.db2.gz GGAFZHMXKMFGGY-UHFFFAOYSA-N 2 2 347.488 2.164 10 0 EEAELP CCc1cnc(C[NH2+]CCN(CC)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)o1 ZINC001320930204 1332981609 /nfs/dbraw/zinc/98/16/09/1332981609.db2.gz WOYWDNBRKNAYPW-HUUCEWRRSA-N 2 2 336.480 2.048 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)cc1Cl)C(=O)Cn1cc[nH+]c1 ZINC001320932263 1332982782 /nfs/dbraw/zinc/98/27/82/1332982782.db2.gz LHMSASCDLPWRKY-UHFFFAOYSA-N 2 2 334.851 2.483 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001321126971 1333026223 /nfs/dbraw/zinc/02/62/23/1333026223.db2.gz OZSYQYYUBMXSCZ-RXYHWBRQSA-N 2 2 344.484 2.278 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)o1 ZINC001321134315 1333027238 /nfs/dbraw/zinc/02/72/38/1333027238.db2.gz BOPKGYXCFVPZEQ-JOGGYFKDSA-N 2 2 348.491 2.426 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001321134315 1333027241 /nfs/dbraw/zinc/02/72/41/1333027241.db2.gz BOPKGYXCFVPZEQ-JOGGYFKDSA-N 2 2 348.491 2.426 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(Cl)nc1)n1cc[nH+]c1 ZINC001322003865 1333194188 /nfs/dbraw/zinc/19/41/88/1333194188.db2.gz FGTFZCLFHWKCPS-QWHCGFSZSA-N 2 2 335.839 2.177 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001322579521 1333287410 /nfs/dbraw/zinc/28/74/10/1333287410.db2.gz GQFXJZGOHYOVJV-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(Cl)cc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001322709225 1333311324 /nfs/dbraw/zinc/31/13/24/1333311324.db2.gz ABGIMYYQMYAARX-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP COCCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001324729565 1333747811 /nfs/dbraw/zinc/74/78/11/1333747811.db2.gz ZPLVNIMOGKRBAP-IBGZPJMESA-N 2 2 344.459 2.121 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)CCOCC1 ZINC001325005902 1333806502 /nfs/dbraw/zinc/80/65/02/1333806502.db2.gz UONKWLFZORZYLH-UHFFFAOYSA-N 2 2 348.491 2.148 10 0 EEAELP CCCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001326635284 1334129626 /nfs/dbraw/zinc/12/96/26/1334129626.db2.gz VSGSATTVZHLXSO-FGTMMUONSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001326635284 1334129628 /nfs/dbraw/zinc/12/96/28/1334129628.db2.gz VSGSATTVZHLXSO-FGTMMUONSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001326635284 1334129631 /nfs/dbraw/zinc/12/96/31/1334129631.db2.gz VSGSATTVZHLXSO-FGTMMUONSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001326635284 1334129633 /nfs/dbraw/zinc/12/96/33/1334129633.db2.gz VSGSATTVZHLXSO-FGTMMUONSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)on1 ZINC001329069423 1334579022 /nfs/dbraw/zinc/57/90/22/1334579022.db2.gz OIZLMCHFACIKJN-RYUDHWBXSA-N 2 2 327.388 2.156 10 0 EEAELP C[C@@](O)(C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(F)(F)C(F)(F)F ZINC001334901356 1336310979 /nfs/dbraw/zinc/31/09/79/1336310979.db2.gz FPBPXGZMYKBYRY-VXGBXAGGSA-N 2 2 340.292 2.483 10 0 EEAELP C[C@@](O)(C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)C(F)(F)C(F)(F)F ZINC001334901356 1336310982 /nfs/dbraw/zinc/31/09/82/1336310982.db2.gz FPBPXGZMYKBYRY-VXGBXAGGSA-N 2 2 340.292 2.483 10 0 EEAELP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccnc1)[NH+]1CCCCCC1 ZINC001436318404 1342023384 /nfs/dbraw/zinc/02/33/84/1342023384.db2.gz HGTSUFGEBJPOJW-IEBWSBKVSA-N 2 2 344.503 2.379 10 0 EEAELP C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccnc1)[NH+]1CCCCCC1 ZINC001436318404 1342023389 /nfs/dbraw/zinc/02/33/89/1342023389.db2.gz HGTSUFGEBJPOJW-IEBWSBKVSA-N 2 2 344.503 2.379 10 0 EEAELP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001566692063 1342604149 /nfs/dbraw/zinc/60/41/49/1342604149.db2.gz ZEEAWHLEZZYULD-INIZCTEOSA-N 2 2 330.476 2.290 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)sn1 ZINC001567016016 1342678834 /nfs/dbraw/zinc/67/88/34/1342678834.db2.gz CHAZYNDSEKJWRS-GFCCVEGCSA-N 2 2 343.456 2.316 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCCC(F)(F)F ZINC001567028992 1342683764 /nfs/dbraw/zinc/68/37/64/1342683764.db2.gz OAQDSDJBIFAXNK-CHWSQXEVSA-N 2 2 346.397 2.272 10 0 EEAELP CN(C)c1ccccc1C[NH+]1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001569504827 1342888518 /nfs/dbraw/zinc/88/85/18/1342888518.db2.gz SOQAEVXBWGEGDC-UHFFFAOYSA-N 2 2 346.519 2.127 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001569910384 1342974510 /nfs/dbraw/zinc/97/45/10/1342974510.db2.gz QMNBASUAHPZDHD-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001569910384 1342974513 /nfs/dbraw/zinc/97/45/13/1342974513.db2.gz QMNBASUAHPZDHD-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001569910384 1342974516 /nfs/dbraw/zinc/97/45/16/1342974516.db2.gz QMNBASUAHPZDHD-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001569910384 1342974519 /nfs/dbraw/zinc/97/45/19/1342974519.db2.gz QMNBASUAHPZDHD-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001569911006 1342974704 /nfs/dbraw/zinc/97/47/04/1342974704.db2.gz YSQYTLANCNPJSV-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH]c[nH+]1 ZINC001569911006 1342974706 /nfs/dbraw/zinc/97/47/06/1342974706.db2.gz YSQYTLANCNPJSV-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001569911006 1342974707 /nfs/dbraw/zinc/97/47/07/1342974707.db2.gz YSQYTLANCNPJSV-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCc1c[nH+]c[nH]1 ZINC001569911006 1342974710 /nfs/dbraw/zinc/97/47/10/1342974710.db2.gz YSQYTLANCNPJSV-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001571143613 1343165080 /nfs/dbraw/zinc/16/50/80/1343165080.db2.gz DLZYAKRAQRJUIP-JCNLHEQBSA-N 2 2 344.434 2.139 10 0 EEAELP CCOCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001676654419 1357175218 /nfs/dbraw/zinc/17/52/18/1357175218.db2.gz AVISRBOOEFXVLL-HIFRSBDPSA-N 2 2 330.432 2.182 10 0 EEAELP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CCOC2CCCCCC2)C1 ZINC001677448507 1357332686 /nfs/dbraw/zinc/33/26/86/1357332686.db2.gz LIJBNCXCMDWAQC-UHFFFAOYSA-N 2 2 348.491 2.202 10 0 EEAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC001650058870 1353705031 /nfs/dbraw/zinc/70/50/31/1353705031.db2.gz NZELGNJCGVLZNF-MRXNPFEDSA-N 2 2 334.460 2.289 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCC(F)(F)F ZINC001660150267 1354404807 /nfs/dbraw/zinc/40/48/07/1354404807.db2.gz PFIBRRCJPHBONP-UHFFFAOYSA-N 2 2 346.397 2.152 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCC(F)(F)F ZINC001660150267 1354404810 /nfs/dbraw/zinc/40/48/10/1354404810.db2.gz PFIBRRCJPHBONP-UHFFFAOYSA-N 2 2 346.397 2.152 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001661610467 1354665017 /nfs/dbraw/zinc/66/50/17/1354665017.db2.gz SGTNGWFICKORHH-XMTFNYHQSA-N 2 2 338.455 2.383 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001661610467 1354665021 /nfs/dbraw/zinc/66/50/21/1354665021.db2.gz SGTNGWFICKORHH-XMTFNYHQSA-N 2 2 338.455 2.383 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@H](C[NH2+]CCCF)C3)[nH+]c12 ZINC001661822866 1354703192 /nfs/dbraw/zinc/70/31/92/1354703192.db2.gz FZMAYJONBYRMMC-MRXNPFEDSA-N 2 2 346.450 2.373 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001662694058 1354826929 /nfs/dbraw/zinc/82/69/29/1354826929.db2.gz DQKKUKHRIBBUPK-LSDHHAIUSA-N 2 2 346.500 2.331 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001662694058 1354826935 /nfs/dbraw/zinc/82/69/35/1354826935.db2.gz DQKKUKHRIBBUPK-LSDHHAIUSA-N 2 2 346.500 2.331 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1cccc(C(C)C)n1 ZINC001664331610 1355140932 /nfs/dbraw/zinc/14/09/32/1355140932.db2.gz HQOHOTCEPYAQGD-UHFFFAOYSA-N 2 2 329.448 2.027 10 0 EEAELP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001665934019 1355412591 /nfs/dbraw/zinc/41/25/91/1355412591.db2.gz VYGSPOVTWRNHLO-MRXNPFEDSA-N 2 2 330.476 2.430 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001668472562 1355948192 /nfs/dbraw/zinc/94/81/92/1355948192.db2.gz GBZWQZCBRLXAQX-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH]c[nH+]1 ZINC001669576985 1356177925 /nfs/dbraw/zinc/17/79/25/1356177925.db2.gz LKGGDTIVDMBECO-QWRGUYRKSA-N 2 2 333.263 2.021 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH+]c[nH]1 ZINC001669576985 1356177929 /nfs/dbraw/zinc/17/79/29/1356177929.db2.gz LKGGDTIVDMBECO-QWRGUYRKSA-N 2 2 333.263 2.021 10 0 EEAELP CN(CCC[NH2+]Cc1cc(Cl)ccc1F)C(=O)Cc1c[nH+]c[nH]1 ZINC001670261699 1356307091 /nfs/dbraw/zinc/30/70/91/1356307091.db2.gz UCYWJXKUGOWNCI-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC001672886139 1356607652 /nfs/dbraw/zinc/60/76/52/1356607652.db2.gz UPIQOVUQOFIGIQ-AWEZNQCLSA-N 2 2 347.488 2.054 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001672896123 1356608932 /nfs/dbraw/zinc/60/89/32/1356608932.db2.gz BTPUOPOAFYKECU-OAHLLOKOSA-N 2 2 344.434 2.130 10 0 EEAELP COCCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001673382112 1356681545 /nfs/dbraw/zinc/68/15/45/1356681545.db2.gz WYZLWJRBHLQRSQ-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP COCCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001673382112 1356681548 /nfs/dbraw/zinc/68/15/48/1356681548.db2.gz WYZLWJRBHLQRSQ-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCC[C@H]2CCOC2)CCCC1 ZINC001698804984 1405077947 /nfs/dbraw/zinc/07/79/47/1405077947.db2.gz CFAPAADYBSGQOO-INIZCTEOSA-N 2 2 348.491 2.096 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001699279239 1405311822 /nfs/dbraw/zinc/31/18/22/1405311822.db2.gz WQSIZJPMBRCFME-QDLOVBKTSA-N 2 2 330.476 2.144 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)cs1 ZINC001699827335 1405513525 /nfs/dbraw/zinc/51/35/25/1405513525.db2.gz PLDAEMFAQWAZDI-QGZVFWFLSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)cs1 ZINC001699827335 1405513528 /nfs/dbraw/zinc/51/35/28/1405513528.db2.gz PLDAEMFAQWAZDI-QGZVFWFLSA-N 2 2 338.521 2.264 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC12CCCCC2 ZINC000908572767 785537748 /nfs/dbraw/zinc/53/77/48/785537748.db2.gz IREOZCHZQUDEOD-UHFFFAOYSA-N 2 2 339.443 2.358 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC12CCCCC2 ZINC000908572767 785537755 /nfs/dbraw/zinc/53/77/55/785537755.db2.gz IREOZCHZQUDEOD-UHFFFAOYSA-N 2 2 339.443 2.358 10 0 EEAELP CC[N@@H+]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@H](C)C1 ZINC000910267898 786595657 /nfs/dbraw/zinc/59/56/57/786595657.db2.gz UCIKUNCXWSLXGA-OLZOCXBDSA-N 2 2 332.370 2.319 10 0 EEAELP CC[N@H+]1CCCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)[C@H](C)C1 ZINC000910267898 786595658 /nfs/dbraw/zinc/59/56/58/786595658.db2.gz UCIKUNCXWSLXGA-OLZOCXBDSA-N 2 2 332.370 2.319 10 0 EEAELP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)nn1 ZINC000714854271 795168664 /nfs/dbraw/zinc/16/86/64/795168664.db2.gz IRHXXCKNGUWWCK-BHIYHBOVSA-N 2 2 325.460 2.298 10 0 EEAELP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)nn1 ZINC000714854271 795168667 /nfs/dbraw/zinc/16/86/67/795168667.db2.gz IRHXXCKNGUWWCK-BHIYHBOVSA-N 2 2 325.460 2.298 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716636150 796397865 /nfs/dbraw/zinc/39/78/65/796397865.db2.gz HVHASPXNIDGZCJ-UBDQQSCGSA-N 2 2 336.501 2.062 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716636150 796397872 /nfs/dbraw/zinc/39/78/72/796397872.db2.gz HVHASPXNIDGZCJ-UBDQQSCGSA-N 2 2 336.501 2.062 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1nccs1 ZINC001436436404 1087818934 /nfs/dbraw/zinc/81/89/34/1087818934.db2.gz BXNXVXFIKLODMY-LSDHHAIUSA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@H+]1Cc1nccs1 ZINC001436436404 1087818962 /nfs/dbraw/zinc/81/89/62/1087818962.db2.gz BXNXVXFIKLODMY-LSDHHAIUSA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC[NH+]1Cc1nccs1 ZINC001436436404 1087818992 /nfs/dbraw/zinc/81/89/92/1087818992.db2.gz BXNXVXFIKLODMY-LSDHHAIUSA-N 2 2 336.505 2.097 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CC[NH+]1Cc1nccs1 ZINC001436436404 1087819016 /nfs/dbraw/zinc/81/90/16/1087819016.db2.gz BXNXVXFIKLODMY-LSDHHAIUSA-N 2 2 336.505 2.097 10 0 EEAELP CCc1ccccc1CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001437158476 1089160652 /nfs/dbraw/zinc/16/06/52/1089160652.db2.gz QJMOGOCYJZALEF-ZTFGCOKTSA-N 2 2 340.471 2.413 10 0 EEAELP CCc1ccccc1CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001437158476 1089160657 /nfs/dbraw/zinc/16/06/57/1089160657.db2.gz QJMOGOCYJZALEF-ZTFGCOKTSA-N 2 2 340.471 2.413 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1csc(Cl)n1 ZINC001437262392 1089404707 /nfs/dbraw/zinc/40/47/07/1089404707.db2.gz GAMJUTWSKUSWST-DGCLKSJQSA-N 2 2 344.912 2.265 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1csc(Cl)n1 ZINC001437262392 1089404717 /nfs/dbraw/zinc/40/47/17/1089404717.db2.gz GAMJUTWSKUSWST-DGCLKSJQSA-N 2 2 344.912 2.265 10 0 EEAELP COc1cccc(C[N@H+](C)CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)c1 ZINC001437488060 1089853280 /nfs/dbraw/zinc/85/32/80/1089853280.db2.gz ZMNKXONZLXQEBU-UHFFFAOYSA-N 2 2 344.459 2.183 10 0 EEAELP COc1cccc(C[N@@H+](C)CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)c1 ZINC001437488060 1089853289 /nfs/dbraw/zinc/85/32/89/1089853289.db2.gz ZMNKXONZLXQEBU-UHFFFAOYSA-N 2 2 344.459 2.183 10 0 EEAELP CN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)CCn1cc[nH+]c1 ZINC001437833631 1090421041 /nfs/dbraw/zinc/42/10/41/1090421041.db2.gz CRFAVYLUEPVFHE-QGZVFWFLSA-N 2 2 348.397 2.287 10 0 EEAELP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ncoc2C(C)C)C1 ZINC001438269588 1090753242 /nfs/dbraw/zinc/75/32/42/1090753242.db2.gz HEHOBVFYBZYBFD-MRXNPFEDSA-N 2 2 348.491 2.317 10 0 EEAELP CCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ncoc2C(C)C)C1 ZINC001438269588 1090753244 /nfs/dbraw/zinc/75/32/44/1090753244.db2.gz HEHOBVFYBZYBFD-MRXNPFEDSA-N 2 2 348.491 2.317 10 0 EEAELP Cc1nocc1C[NH2+]C[C@@]1(NC(=O)Cn2cc[nH+]c2)CCCC[C@@H]1C ZINC001438431496 1090931208 /nfs/dbraw/zinc/93/12/08/1090931208.db2.gz BIEYABDZNQSHDC-KSSFIOAISA-N 2 2 345.447 2.034 10 0 EEAELP C[C@H](C[NH2+]Cc1cnc(Cl)s1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445442796 1091202758 /nfs/dbraw/zinc/20/27/58/1091202758.db2.gz DDDYPNTUGXYLNK-MNOVXSKESA-N 2 2 341.868 2.239 10 0 EEAELP C[C@H](C[NH2+]Cc1cscn1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001438710323 1091225749 /nfs/dbraw/zinc/22/57/49/1091225749.db2.gz DSEGIRLTEGKHCD-PBHICJAKSA-N 2 2 346.500 2.383 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001445479251 1091258794 /nfs/dbraw/zinc/25/87/94/1091258794.db2.gz JDEHKNDRJWQMGV-MEBBXXQBSA-N 2 2 348.397 2.321 10 0 EEAELP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)on1 ZINC001445755625 1091595127 /nfs/dbraw/zinc/59/51/27/1091595127.db2.gz DLHIIGJFHNKTTC-DOTOQJQBSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)on1 ZINC001445755625 1091595135 /nfs/dbraw/zinc/59/51/35/1091595135.db2.gz DLHIIGJFHNKTTC-DOTOQJQBSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2CC(C)C)on1 ZINC001445755625 1091595147 /nfs/dbraw/zinc/59/51/47/1091595147.db2.gz DLHIIGJFHNKTTC-DOTOQJQBSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2CC(C)C)on1 ZINC001445755625 1091595156 /nfs/dbraw/zinc/59/51/56/1091595156.db2.gz DLHIIGJFHNKTTC-DOTOQJQBSA-N 2 2 336.480 2.040 10 0 EEAELP C[C@@H](C[NH2+]Cc1cnn(C(C)(C)C)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001439259476 1091910777 /nfs/dbraw/zinc/91/07/77/1091910777.db2.gz FUSFOBLHUWCJOC-GJZGRUSLSA-N 2 2 346.479 2.080 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cc(O)ccc1Cl ZINC001439408744 1092172091 /nfs/dbraw/zinc/17/20/91/1092172091.db2.gz OYUQXACXLGNEQJ-CYBMUJFWSA-N 2 2 341.883 2.322 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1cc(O)ccc1Cl ZINC001439408744 1092172096 /nfs/dbraw/zinc/17/20/96/1092172096.db2.gz OYUQXACXLGNEQJ-CYBMUJFWSA-N 2 2 341.883 2.322 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cc(O)ccc1Cl ZINC001439408744 1092172103 /nfs/dbraw/zinc/17/21/03/1092172103.db2.gz OYUQXACXLGNEQJ-CYBMUJFWSA-N 2 2 341.883 2.322 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(O)ccc1Cl ZINC001439408744 1092172108 /nfs/dbraw/zinc/17/21/08/1092172108.db2.gz OYUQXACXLGNEQJ-CYBMUJFWSA-N 2 2 341.883 2.322 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1[C@H]1CCc2c1cc(F)cc2F ZINC001439548071 1092416976 /nfs/dbraw/zinc/41/69/76/1092416976.db2.gz ACYWEJNXRNITCC-DYVFJYSZSA-N 2 2 337.414 2.094 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCc2c1cc(F)cc2F ZINC001439548071 1092416982 /nfs/dbraw/zinc/41/69/82/1092416982.db2.gz ACYWEJNXRNITCC-DYVFJYSZSA-N 2 2 337.414 2.094 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001439888162 1092943313 /nfs/dbraw/zinc/94/33/13/1092943313.db2.gz RYHYHXHTYCRXDT-LPHOPBHVSA-N 2 2 341.459 2.258 10 0 EEAELP CC1(CNC(=O)Cc2[nH]cc[nH+]2)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001439923905 1093003362 /nfs/dbraw/zinc/00/33/62/1093003362.db2.gz SQIJDFWINJJMQT-INIZCTEOSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCn3cc[nH+]c3)C2)c(C)s1 ZINC001448509044 1093534790 /nfs/dbraw/zinc/53/47/90/1093534790.db2.gz HAGUAVINRCZVAY-SHTZXODSSA-N 2 2 347.488 2.031 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001448670938 1093739447 /nfs/dbraw/zinc/73/94/47/1093739447.db2.gz XPDDVDHGWQVULZ-NSHDSACASA-N 2 2 335.477 2.052 10 0 EEAELP CC[NH+]1CCN(c2ccc(NC(=O)Cc3[nH]c[nH+]c3C)cc2)CC1 ZINC001440621925 1093891508 /nfs/dbraw/zinc/89/15/08/1093891508.db2.gz XCKJWNRVYKXMBV-UHFFFAOYSA-N 2 2 327.432 2.041 10 0 EEAELP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@H+](C)Cc1ccsc1 ZINC001440935431 1094187731 /nfs/dbraw/zinc/18/77/31/1094187731.db2.gz AEQOJHJAMFFGPO-LBPRGKRZSA-N 2 2 336.461 2.048 10 0 EEAELP C[C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@@H+](C)Cc1ccsc1 ZINC001440935431 1094187736 /nfs/dbraw/zinc/18/77/36/1094187736.db2.gz AEQOJHJAMFFGPO-LBPRGKRZSA-N 2 2 336.461 2.048 10 0 EEAELP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001440977307 1094237284 /nfs/dbraw/zinc/23/72/84/1094237284.db2.gz PFXBJVVWBYICTC-KBAYOESNSA-N 2 2 340.471 2.469 10 0 EEAELP Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001440977307 1094237286 /nfs/dbraw/zinc/23/72/86/1094237286.db2.gz PFXBJVVWBYICTC-KBAYOESNSA-N 2 2 340.471 2.469 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]Cc1cncs1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001449288907 1094239544 /nfs/dbraw/zinc/23/95/44/1094239544.db2.gz FVHARKKQQMAFIW-UMVBOHGHSA-N 2 2 347.488 2.290 10 0 EEAELP C[C@@H]([NH2+]CCc1ccns1)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001440999236 1094270600 /nfs/dbraw/zinc/27/06/00/1094270600.db2.gz VRMSTSOIWGMPLE-HIFRSBDPSA-N 2 2 347.488 2.011 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccon2)CCCCC1 ZINC001441103589 1094409168 /nfs/dbraw/zinc/40/91/68/1094409168.db2.gz OQHYTZYJBMGRAA-INIZCTEOSA-N 2 2 334.464 2.068 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccon2)CCCCC1 ZINC001441103589 1094409171 /nfs/dbraw/zinc/40/91/71/1094409171.db2.gz OQHYTZYJBMGRAA-INIZCTEOSA-N 2 2 334.464 2.068 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001441214432 1094580010 /nfs/dbraw/zinc/58/00/10/1094580010.db2.gz VSYYUYICKVPILM-HUUCEWRRSA-N 2 2 348.491 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001441214432 1094580019 /nfs/dbraw/zinc/58/00/19/1094580019.db2.gz VSYYUYICKVPILM-HUUCEWRRSA-N 2 2 348.491 2.076 10 0 EEAELP Cc1cc(C[NH2+][C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C2CC2)sn1 ZINC001441257165 1094655458 /nfs/dbraw/zinc/65/54/58/1094655458.db2.gz JVDKUPYDXOHLJO-BDJLRTHQSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cc(C[NH2+][C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C2CC2)sn1 ZINC001441257165 1094655464 /nfs/dbraw/zinc/65/54/64/1094655464.db2.gz JVDKUPYDXOHLJO-BDJLRTHQSA-N 2 2 347.488 2.038 10 0 EEAELP 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/nfs/dbraw/zinc/47/34/37/1104473437.db2.gz YUCIZVMYTZYDGH-OAHLLOKOSA-N 2 2 336.480 2.037 10 0 EEAELP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CCc1ccns1 ZINC001495005120 1104647574 /nfs/dbraw/zinc/64/75/74/1104647574.db2.gz XCOVPAYINNSTGW-AWEZNQCLSA-N 2 2 349.504 2.110 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001480672183 1106857433 /nfs/dbraw/zinc/85/74/33/1106857433.db2.gz USPIRVYWJXIZEE-GOSISDBHSA-N 2 2 340.471 2.195 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001480683094 1106875482 /nfs/dbraw/zinc/87/54/82/1106875482.db2.gz KGNAEYISEUZOGC-ZDUSSCGKSA-N 2 2 332.370 2.054 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCOC1CCCCCC1 ZINC001498172027 1107022393 /nfs/dbraw/zinc/02/23/93/1107022393.db2.gz CVLMACQUQJZCBO-AWEZNQCLSA-N 2 2 336.480 2.094 10 0 EEAELP Cc1nocc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001480834481 1107235097 /nfs/dbraw/zinc/23/50/97/1107235097.db2.gz PNPYFGFMHGBOSW-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1nocc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001480834481 1107235103 /nfs/dbraw/zinc/23/51/03/1107235103.db2.gz PNPYFGFMHGBOSW-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323025 1107291074 /nfs/dbraw/zinc/29/10/74/1107291074.db2.gz LNBORCSCURTGNK-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323025 1107291083 /nfs/dbraw/zinc/29/10/83/1107291083.db2.gz LNBORCSCURTGNK-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001493168393 1107629798 /nfs/dbraw/zinc/62/97/98/1107629798.db2.gz SANGDDPRXHUPTL-ROUUACIJSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC001493168393 1107629802 /nfs/dbraw/zinc/62/98/02/1107629802.db2.gz SANGDDPRXHUPTL-ROUUACIJSA-N 2 2 348.491 2.203 10 0 EEAELP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001493206032 1107680515 /nfs/dbraw/zinc/68/05/15/1107680515.db2.gz HHZASBAQQHPGMI-HZPDHXFCSA-N 2 2 332.492 2.246 10 0 EEAELP CC[C@@H](C)C[N@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001493206032 1107680519 /nfs/dbraw/zinc/68/05/19/1107680519.db2.gz HHZASBAQQHPGMI-HZPDHXFCSA-N 2 2 332.492 2.246 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001493240274 1107749193 /nfs/dbraw/zinc/74/91/93/1107749193.db2.gz IRXLZHSDFRYKQM-GFCCVEGCSA-N 2 2 332.370 2.123 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001493240274 1107749209 /nfs/dbraw/zinc/74/92/09/1107749209.db2.gz IRXLZHSDFRYKQM-GFCCVEGCSA-N 2 2 332.370 2.123 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001493269786 1107817843 /nfs/dbraw/zinc/81/78/43/1107817843.db2.gz KRXKEJNIZDVHPH-OAHLLOKOSA-N 2 2 332.835 2.175 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001493269786 1107817859 /nfs/dbraw/zinc/81/78/59/1107817859.db2.gz KRXKEJNIZDVHPH-OAHLLOKOSA-N 2 2 332.835 2.175 10 0 EEAELP CCC[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CCC1 ZINC001493292513 1107869480 /nfs/dbraw/zinc/86/94/80/1107869480.db2.gz BVDNNWZFSCZDPG-UHFFFAOYSA-N 2 2 332.492 2.390 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CCC1 ZINC001493292513 1107869493 /nfs/dbraw/zinc/86/94/93/1107869493.db2.gz BVDNNWZFSCZDPG-UHFFFAOYSA-N 2 2 332.492 2.390 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1C ZINC001493604203 1108390212 /nfs/dbraw/zinc/39/02/12/1108390212.db2.gz SNZGBZQHTYGOSY-GOSISDBHSA-N 2 2 340.471 2.311 10 0 EEAELP CCc1nc(C[NH2+]CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)cs1 ZINC001493708691 1108543323 /nfs/dbraw/zinc/54/33/23/1108543323.db2.gz BWSYDXCYOVBRAI-CYBMUJFWSA-N 2 2 335.477 2.101 10 0 EEAELP C[C@@H]([NH2+]CC[C@@H]1CCCCO1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001493842317 1108726200 /nfs/dbraw/zinc/72/62/00/1108726200.db2.gz DBHPAOXIOVXMHV-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP O=c1[nH]c2cccnc2n1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001460780190 1110323965 /nfs/dbraw/zinc/32/39/65/1110323965.db2.gz WNDGUVJPVMJVBK-UHFFFAOYSA-N 2 2 326.404 2.061 10 0 EEAELP c1cnn(CC[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)c1 ZINC001460833492 1110325542 /nfs/dbraw/zinc/32/55/42/1110325542.db2.gz GRAGREGLJOFYCM-UHFFFAOYSA-N 2 2 328.460 2.108 10 0 EEAELP c1cnn(CC[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)c1 ZINC001460833492 1110325543 /nfs/dbraw/zinc/32/55/43/1110325543.db2.gz GRAGREGLJOFYCM-UHFFFAOYSA-N 2 2 328.460 2.108 10 0 EEAELP c1cnn(CC[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)c1 ZINC001460833492 1110325546 /nfs/dbraw/zinc/32/55/46/1110325546.db2.gz GRAGREGLJOFYCM-UHFFFAOYSA-N 2 2 328.460 2.108 10 0 EEAELP c1cnn(CC[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)c1 ZINC001460833492 1110325547 /nfs/dbraw/zinc/32/55/47/1110325547.db2.gz GRAGREGLJOFYCM-UHFFFAOYSA-N 2 2 328.460 2.108 10 0 EEAELP Cc1nocc1C[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001502139034 1113611883 /nfs/dbraw/zinc/61/18/83/1113611883.db2.gz ZXHCNBCJLSHTSX-RHSMWYFYSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001502139034 1113611886 /nfs/dbraw/zinc/61/18/86/1113611886.db2.gz ZXHCNBCJLSHTSX-RHSMWYFYSA-N 2 2 345.447 2.302 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC[C@@H](C)F ZINC001505436300 1113969712 /nfs/dbraw/zinc/96/97/12/1113969712.db2.gz YVCSSEUJUGYQQQ-GDBMZVCRSA-N 2 2 337.439 2.304 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC[C@@H](C)F ZINC001505436300 1113969713 /nfs/dbraw/zinc/96/97/13/1113969713.db2.gz YVCSSEUJUGYQQQ-GDBMZVCRSA-N 2 2 337.439 2.304 10 0 EEAELP CCCC[C@@H](C[NH2+]Cc1cc(C)on1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506541266 1114685807 /nfs/dbraw/zinc/68/58/07/1114685807.db2.gz YMKFGCMJZORABM-DOTOQJQBSA-N 2 2 336.480 2.232 10 0 EEAELP CCCC[C@@H](C[NH2+]Cc1cc(C)on1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001506541266 1114685808 /nfs/dbraw/zinc/68/58/08/1114685808.db2.gz YMKFGCMJZORABM-DOTOQJQBSA-N 2 2 336.480 2.232 10 0 EEAELP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001506746517 1114859976 /nfs/dbraw/zinc/85/99/76/1114859976.db2.gz DLCPDLHBKQMECD-XJKSGUPXSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001506746517 1114859977 /nfs/dbraw/zinc/85/99/77/1114859977.db2.gz DLCPDLHBKQMECD-XJKSGUPXSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC001508215547 1115448405 /nfs/dbraw/zinc/44/84/05/1115448405.db2.gz QGJRKEWIPSXZPO-UHFFFAOYSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC001508215547 1115448406 /nfs/dbraw/zinc/44/84/06/1115448406.db2.gz QGJRKEWIPSXZPO-UHFFFAOYSA-N 2 2 346.475 2.106 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001568058343 1124264567 /nfs/dbraw/zinc/26/45/67/1124264567.db2.gz QRMGYRWFNOBJIC-QGZVFWFLSA-N 2 2 344.503 2.390 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]CCc1ccccc1 ZINC001568176612 1124340538 /nfs/dbraw/zinc/34/05/38/1124340538.db2.gz IVEFYQCKQZWKHE-USXIJHARSA-N 2 2 326.444 2.098 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]CCc1ccccc1 ZINC001568176612 1124340541 /nfs/dbraw/zinc/34/05/41/1124340541.db2.gz IVEFYQCKQZWKHE-USXIJHARSA-N 2 2 326.444 2.098 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CC[C@@H]1CCOC1)C1CCCCC1 ZINC001568347252 1124430087 /nfs/dbraw/zinc/43/00/87/1124430087.db2.gz YPMJVDRCCXJEBM-NVXWUHKLSA-N 2 2 348.491 2.034 10 0 EEAELP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001568386844 1124457002 /nfs/dbraw/zinc/45/70/02/1124457002.db2.gz LEBNTJKBKASIGV-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001568539596 1124600489 /nfs/dbraw/zinc/60/04/89/1124600489.db2.gz CREFADIICPHWFD-VXGBXAGGSA-N 2 2 345.274 2.454 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001568922582 1124950867 /nfs/dbraw/zinc/95/08/67/1124950867.db2.gz ZIWLDUATRTVGHH-GVKUHWBJSA-N 2 2 338.455 2.294 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001569064992 1125075330 /nfs/dbraw/zinc/07/53/30/1125075330.db2.gz RAFYKFCTONOUTA-HWYHOQROSA-N 2 2 339.439 2.440 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001565876844 1125447782 /nfs/dbraw/zinc/44/77/82/1125447782.db2.gz UYBNWEZOPCGWTM-IYARVYRRSA-N 2 2 340.471 2.378 10 0 EEAELP C[NH+]1CCC(CC(=O)Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000347017313 539851722 /nfs/dbraw/zinc/85/17/22/539851722.db2.gz GPOHMVMWMGGTBR-UHFFFAOYSA-N 2 2 331.460 2.189 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2nc(C3CC3)no2)nc[nH+]1 ZINC000072276623 216103561 /nfs/dbraw/zinc/10/35/61/216103561.db2.gz BRZMHWPCANVDHG-WCQYABFASA-N 2 2 343.435 2.098 10 0 EEAELP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422775651 240222269 /nfs/dbraw/zinc/22/22/69/240222269.db2.gz AZGAIFZZGWYMMW-NJDAHSKKSA-N 2 2 343.515 2.398 10 0 EEAELP c1ccc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422909107 240287611 /nfs/dbraw/zinc/28/76/11/240287611.db2.gz ZXHNQEYCAYDIAF-SFTDATJTSA-N 3 2 343.515 2.255 10 0 EEAELP Fc1ccc(OCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1Cl ZINC000423157645 240388070 /nfs/dbraw/zinc/38/80/70/240388070.db2.gz MVIHGALGDWFYDB-CVEARBPZSA-N 2 2 328.815 2.215 10 0 EEAELP CCc1[nH]c(C[NH2+][C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)c(C)[nH+]1 ZINC000012304015 211339101 /nfs/dbraw/zinc/33/91/01/211339101.db2.gz IATYWLICOGJPMN-INIZCTEOSA-N 2 2 338.455 2.138 10 0 EEAELP COc1ccccc1[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000095405555 218340953 /nfs/dbraw/zinc/34/09/53/218340953.db2.gz XHYDGDJHVVTVGS-DLBZAZTESA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000095405555 218340956 /nfs/dbraw/zinc/34/09/56/218340956.db2.gz XHYDGDJHVVTVGS-DLBZAZTESA-N 2 2 345.487 2.242 10 0 EEAELP CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195254182 256008302 /nfs/dbraw/zinc/00/83/02/256008302.db2.gz XIOHEJQMLIJUOW-UKRRQHHQSA-N 2 2 338.521 2.120 10 0 EEAELP CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195254182 256008305 /nfs/dbraw/zinc/00/83/05/256008305.db2.gz XIOHEJQMLIJUOW-UKRRQHHQSA-N 2 2 338.521 2.120 10 0 EEAELP CC[C@@H](C)NC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195254182 256008306 /nfs/dbraw/zinc/00/83/06/256008306.db2.gz XIOHEJQMLIJUOW-UKRRQHHQSA-N 2 2 338.521 2.120 10 0 EEAELP CC[C@@H](C)NC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195254182 256008308 /nfs/dbraw/zinc/00/83/08/256008308.db2.gz XIOHEJQMLIJUOW-UKRRQHHQSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCS(=O)(=O)C(C)C)C2)[nH+]1 ZINC000119541846 221343938 /nfs/dbraw/zinc/34/39/38/221343938.db2.gz BRBNJVVFXNXAOI-INIZCTEOSA-N 2 2 339.505 2.337 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CCCS(=O)(=O)C(C)C)C2)[nH+]1 ZINC000119541846 221343941 /nfs/dbraw/zinc/34/39/41/221343941.db2.gz BRBNJVVFXNXAOI-INIZCTEOSA-N 2 2 339.505 2.337 10 0 EEAELP COc1cc(C[NH2+][C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc2c1OCO2 ZINC000328635319 258025501 /nfs/dbraw/zinc/02/55/01/258025501.db2.gz NGXWUEXLIHVTGN-UKRRQHHQSA-N 2 2 345.399 2.167 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000091633716 292221741 /nfs/dbraw/zinc/22/17/41/292221741.db2.gz DNTGTVCZXGICEF-IRXDYDNUSA-N 2 2 335.467 2.225 10 0 EEAELP CSC[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752805 152115837 /nfs/dbraw/zinc/11/58/37/152115837.db2.gz UKIARNKPMFVNPD-HNNXBMFYSA-N 2 2 327.538 2.052 10 0 EEAELP C[NH+](C)C1(CNC(=O)C2([NH+]3CCOCC3)CCC2)CCCCCC1 ZINC000355858869 153174191 /nfs/dbraw/zinc/17/41/91/153174191.db2.gz CZQFDIGHOOVUQL-UHFFFAOYSA-N 2 2 337.508 2.012 10 0 EEAELP COc1ccc(CCC2CC[NH+](Cc3noc(C[NH3+])n3)CC2)cc1 ZINC000262280199 160449121 /nfs/dbraw/zinc/44/91/21/160449121.db2.gz UMOMVFZHDCPLBO-UHFFFAOYSA-N 2 2 330.432 2.382 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2OC)[C@@H](C)C1 ZINC000245427143 160234307 /nfs/dbraw/zinc/23/43/07/160234307.db2.gz LVOVPFCWYSBFLZ-WMZOPIPTSA-N 2 2 347.503 2.316 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2OC)[C@@H](C)C1 ZINC000245427143 160234308 /nfs/dbraw/zinc/23/43/08/160234308.db2.gz LVOVPFCWYSBFLZ-WMZOPIPTSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2OC)[C@@H](C)C1 ZINC000245427143 160234310 /nfs/dbraw/zinc/23/43/10/160234310.db2.gz LVOVPFCWYSBFLZ-WMZOPIPTSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2OC)[C@@H](C)C1 ZINC000245427143 160234312 /nfs/dbraw/zinc/23/43/12/160234312.db2.gz LVOVPFCWYSBFLZ-WMZOPIPTSA-N 2 2 347.503 2.316 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCc4sccc4C3)CC[C@H]21 ZINC000247992939 160335834 /nfs/dbraw/zinc/33/58/34/160335834.db2.gz JOWUPAGPTXPPAL-GOEBONIOSA-N 2 2 333.501 2.049 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCc4sccc4C3)CC[C@H]21 ZINC000247992939 160335837 /nfs/dbraw/zinc/33/58/37/160335837.db2.gz JOWUPAGPTXPPAL-GOEBONIOSA-N 2 2 333.501 2.049 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCc4sccc4C3)CC[C@H]21 ZINC000247992939 160335839 /nfs/dbraw/zinc/33/58/39/160335839.db2.gz JOWUPAGPTXPPAL-GOEBONIOSA-N 2 2 333.501 2.049 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCc4sccc4C3)CC[C@H]21 ZINC000247992939 160335841 /nfs/dbraw/zinc/33/58/41/160335841.db2.gz JOWUPAGPTXPPAL-GOEBONIOSA-N 2 2 333.501 2.049 10 0 EEAELP OC1CC[NH+](CCC[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000343719341 161161859 /nfs/dbraw/zinc/16/18/59/161161859.db2.gz RGCCQVVLPDGJRJ-UHFFFAOYSA-N 2 2 332.473 2.142 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344050701 161193566 /nfs/dbraw/zinc/19/35/66/161193566.db2.gz HUTUSDWBBRYPII-ZWKOTPCHSA-N 2 2 342.487 2.407 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344050701 161193567 /nfs/dbraw/zinc/19/35/67/161193567.db2.gz HUTUSDWBBRYPII-ZWKOTPCHSA-N 2 2 342.487 2.407 10 0 EEAELP O=C(NC1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1)C1CC1 ZINC000346145500 161360968 /nfs/dbraw/zinc/36/09/68/161360968.db2.gz SKOLZYSTRXGIMQ-UHFFFAOYSA-N 2 2 330.457 2.424 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)CC2 ZINC000367823796 166007426 /nfs/dbraw/zinc/00/74/26/166007426.db2.gz WAKXMTXWFYTKEC-OAHLLOKOSA-N 2 2 343.431 2.147 10 0 EEAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000356265624 163386664 /nfs/dbraw/zinc/38/66/64/163386664.db2.gz OJRWVTJZFYVFKY-GJZGRUSLSA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000356265624 163386668 /nfs/dbraw/zinc/38/66/68/163386668.db2.gz OJRWVTJZFYVFKY-GJZGRUSLSA-N 2 2 332.492 2.438 10 0 EEAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000356265624 163386670 /nfs/dbraw/zinc/38/66/70/163386670.db2.gz OJRWVTJZFYVFKY-GJZGRUSLSA-N 2 2 332.492 2.438 10 0 EEAELP 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/nfs/dbraw/zinc/34/46/90/276344690.db2.gz LTZKIKJTOYANKS-UYAOXDASSA-N 2 2 331.504 2.476 10 0 EEAELP CCN(CC[NH+]1CCOCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000340817345 276344691 /nfs/dbraw/zinc/34/46/91/276344691.db2.gz LTZKIKJTOYANKS-UYAOXDASSA-N 2 2 331.504 2.476 10 0 EEAELP c1sc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nc1-c1ccncc1 ZINC000422913605 304865392 /nfs/dbraw/zinc/86/53/92/304865392.db2.gz QLIMYYVCQUQTQD-AEFFLSMTSA-N 2 2 344.484 2.104 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000158108160 311324618 /nfs/dbraw/zinc/32/46/18/311324618.db2.gz LAEFQKACZFSOBR-MRXNPFEDSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000158108160 311324619 /nfs/dbraw/zinc/32/46/19/311324619.db2.gz LAEFQKACZFSOBR-MRXNPFEDSA-N 2 2 335.496 2.459 10 0 EEAELP Cc1cc(C)c(NC(=O)N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c(C)[nH+]1 ZINC000333158030 312102828 /nfs/dbraw/zinc/10/28/28/312102828.db2.gz GTBZOTIIZYQPQS-BBRMVZONSA-N 2 2 332.448 2.191 10 0 EEAELP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000414120268 312972367 /nfs/dbraw/zinc/97/23/67/312972367.db2.gz BRALPNSLGUEBJM-FQEVSTJZSA-N 2 2 342.487 2.188 10 0 EEAELP COC(=O)[C@H](C)Oc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000414825510 313098381 /nfs/dbraw/zinc/09/83/81/313098381.db2.gz CJYBWVOFCFACMU-KSSFIOAISA-N 2 2 328.412 2.417 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000416863525 313340274 /nfs/dbraw/zinc/34/02/74/313340274.db2.gz ZYALGMNDBVDQED-UKRRQHHQSA-N 2 2 329.448 2.032 10 0 EEAELP O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416938090 313366624 /nfs/dbraw/zinc/36/66/24/313366624.db2.gz KKPVCXPZWGOGBG-CYBMUJFWSA-N 2 2 335.839 2.319 10 0 EEAELP [NH3+]CC[C@@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000416945037 313368534 /nfs/dbraw/zinc/36/85/34/313368534.db2.gz VURWLFBQVNRXRJ-LBPRGKRZSA-N 2 2 335.839 2.258 10 0 EEAELP CC[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1OCC(=O)N(C)C ZINC000530224208 317701739 /nfs/dbraw/zinc/70/17/39/317701739.db2.gz VLQQGRVDRUQXFH-WMZOPIPTSA-N 2 2 345.487 2.479 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3ccnc4ccccc34)CC2)cc[nH+]1 ZINC000538719769 318043305 /nfs/dbraw/zinc/04/33/05/318043305.db2.gz GRPROTASDNLSDL-UHFFFAOYSA-N 2 2 348.454 2.413 10 0 EEAELP C[C@@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(F)c1 ZINC000542158754 318122691 /nfs/dbraw/zinc/12/26/91/318122691.db2.gz NLNFZOIRQKJWQJ-CJNGLKHVSA-N 2 2 330.407 2.401 10 0 EEAELP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000563534505 319020523 /nfs/dbraw/zinc/02/05/23/319020523.db2.gz PBIONTVYSAEPMI-KRWDZBQOSA-N 2 2 339.443 2.151 10 0 EEAELP CS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565539231 319191925 /nfs/dbraw/zinc/19/19/25/319191925.db2.gz SGWLECKRPKKLEP-KRWDZBQOSA-N 2 2 336.501 2.208 10 0 EEAELP CS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565539231 319191927 /nfs/dbraw/zinc/19/19/27/319191927.db2.gz SGWLECKRPKKLEP-KRWDZBQOSA-N 2 2 336.501 2.208 10 0 EEAELP C[C@@H]([NH3+])C[C@H](C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000566226969 319262324 /nfs/dbraw/zinc/26/23/24/319262324.db2.gz RZZYYCIKFLHBCD-NEPJUHHUSA-N 2 2 325.482 2.376 10 0 EEAELP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n[nH]1 ZINC000567254635 319364054 /nfs/dbraw/zinc/36/40/54/319364054.db2.gz LXBYAWKIKSLEMC-SFHVURJKSA-N 2 2 340.471 2.428 10 0 EEAELP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n[nH]1 ZINC000567254635 319364057 /nfs/dbraw/zinc/36/40/57/319364057.db2.gz LXBYAWKIKSLEMC-SFHVURJKSA-N 2 2 340.471 2.428 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C1CC1 ZINC000577614922 320265975 /nfs/dbraw/zinc/26/59/75/320265975.db2.gz YPZIYQAJPUFRSG-DNVCBOLYSA-N 2 2 344.503 2.201 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C1CC1 ZINC000577614922 320265977 /nfs/dbraw/zinc/26/59/77/320265977.db2.gz YPZIYQAJPUFRSG-DNVCBOLYSA-N 2 2 344.503 2.201 10 0 EEAELP OC1CC[NH+](CCCNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623876359 450622691 /nfs/dbraw/zinc/62/26/91/450622691.db2.gz RJPJHPOQXMMXKG-UHFFFAOYSA-N 2 2 325.416 2.141 10 0 EEAELP OCCC[N@@H+]1CCC[C@@H]1CNc1nc2ccccc2n2c[nH+]cc12 ZINC000624248657 450761682 /nfs/dbraw/zinc/76/16/82/450761682.db2.gz YXBUCHAOTUYEMG-CQSZACIVSA-N 2 2 325.416 2.141 10 0 EEAELP OCCC[N@H+]1CCC[C@@H]1CNc1nc2ccccc2n2c[nH+]cc12 ZINC000624248657 450761684 /nfs/dbraw/zinc/76/16/84/450761684.db2.gz YXBUCHAOTUYEMG-CQSZACIVSA-N 2 2 325.416 2.141 10 0 EEAELP C[C@@H]1CCC[C@@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000337002343 465142330 /nfs/dbraw/zinc/14/23/30/465142330.db2.gz VSIYIJSELUBPEW-WKUFJEKOSA-N 2 2 334.508 2.127 10 0 EEAELP C[C@@H]1CCC[C@@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000337002343 465142337 /nfs/dbraw/zinc/14/23/37/465142337.db2.gz VSIYIJSELUBPEW-WKUFJEKOSA-N 2 2 334.508 2.127 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)n1 ZINC000339432316 465269266 /nfs/dbraw/zinc/26/92/66/465269266.db2.gz IVKHIEHJDWOPJO-FQEVSTJZSA-N 2 2 346.519 2.472 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)n1 ZINC000339432316 465269273 /nfs/dbraw/zinc/26/92/73/465269273.db2.gz IVKHIEHJDWOPJO-FQEVSTJZSA-N 2 2 346.519 2.472 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)n1 ZINC000339432316 465269278 /nfs/dbraw/zinc/26/92/78/465269278.db2.gz IVKHIEHJDWOPJO-FQEVSTJZSA-N 2 2 346.519 2.472 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000339432316 465269283 /nfs/dbraw/zinc/26/92/83/465269283.db2.gz IVKHIEHJDWOPJO-FQEVSTJZSA-N 2 2 346.519 2.472 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(=O)OCC)CC1 ZINC000128567807 462653132 /nfs/dbraw/zinc/65/31/32/462653132.db2.gz ZXJGRQHYGSCPRO-UHFFFAOYSA-N 2 2 333.476 2.214 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CC(=O)OCC)CC1 ZINC000128567807 462653134 /nfs/dbraw/zinc/65/31/34/462653134.db2.gz ZXJGRQHYGSCPRO-UHFFFAOYSA-N 2 2 333.476 2.214 10 0 EEAELP CC[C@@H]1C[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCO1 ZINC000051736323 463046607 /nfs/dbraw/zinc/04/66/07/463046607.db2.gz UEXVJZAZXCKWNM-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP CC[C@@H]1C[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCO1 ZINC000051736323 463046611 /nfs/dbraw/zinc/04/66/11/463046611.db2.gz UEXVJZAZXCKWNM-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP Cc1cn2nc(NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)sc2n1 ZINC000078457647 463117939 /nfs/dbraw/zinc/11/79/39/463117939.db2.gz DINTXRYPOPJREH-UHFFFAOYSA-N 2 2 348.520 2.461 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000069452891 463249555 /nfs/dbraw/zinc/24/95/55/463249555.db2.gz TYKQFCFHUHLXCR-QZTJIDSGSA-N 2 2 326.444 2.430 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000069452891 463249557 /nfs/dbraw/zinc/24/95/57/463249557.db2.gz TYKQFCFHUHLXCR-QZTJIDSGSA-N 2 2 326.444 2.430 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[N@@H+]1C ZINC000123621572 463357107 /nfs/dbraw/zinc/35/71/07/463357107.db2.gz SGCHNCMKYNKSPM-SJLPKXTDSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[N@H+]1C ZINC000123621572 463357112 /nfs/dbraw/zinc/35/71/12/463357112.db2.gz SGCHNCMKYNKSPM-SJLPKXTDSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[NH+]1C ZINC000123621572 463357115 /nfs/dbraw/zinc/35/71/15/463357115.db2.gz SGCHNCMKYNKSPM-SJLPKXTDSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[NH+]1C ZINC000123621572 463357119 /nfs/dbraw/zinc/35/71/19/463357119.db2.gz SGCHNCMKYNKSPM-SJLPKXTDSA-N 2 2 329.488 2.249 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123659401 463359604 /nfs/dbraw/zinc/35/96/04/463359604.db2.gz WSZPWVBWRIVNEI-KGLIPLIRSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123659401 463359606 /nfs/dbraw/zinc/35/96/06/463359606.db2.gz WSZPWVBWRIVNEI-KGLIPLIRSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123659401 463359607 /nfs/dbraw/zinc/35/96/07/463359607.db2.gz WSZPWVBWRIVNEI-KGLIPLIRSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123659401 463359608 /nfs/dbraw/zinc/35/96/08/463359608.db2.gz WSZPWVBWRIVNEI-KGLIPLIRSA-N 2 2 337.430 2.448 10 0 EEAELP COCc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)ccc1OC ZINC000151314432 463511673 /nfs/dbraw/zinc/51/16/73/463511673.db2.gz IPSACCONVKCEMA-YJBOKZPZSA-N 2 2 336.476 2.339 10 0 EEAELP Cc1noc([C@@H](C)N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000162973318 463554356 /nfs/dbraw/zinc/55/43/56/463554356.db2.gz KSXCQGCVOLQWQQ-CQSZACIVSA-N 2 2 332.452 2.042 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC000058341309 463581551 /nfs/dbraw/zinc/58/15/51/463581551.db2.gz PETVWITXMVIXGW-XMTFNYHQSA-N 2 2 339.524 2.111 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCC1 ZINC000058341309 463581556 /nfs/dbraw/zinc/58/15/56/463581556.db2.gz PETVWITXMVIXGW-XMTFNYHQSA-N 2 2 339.524 2.111 10 0 EEAELP CCCc1cc(N2CC[NH+]([C@H](C)C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000125925306 463591894 /nfs/dbraw/zinc/59/18/94/463591894.db2.gz VFKUTOHIFPVSMW-CQSZACIVSA-N 2 2 326.444 2.183 10 0 EEAELP c1cn(Cc2ccccc2)c(CN2CC[NH2+]C[C@H]2c2cccnc2)[nH+]1 ZINC000261663788 463820144 /nfs/dbraw/zinc/82/01/44/463820144.db2.gz HCNKTZHEQKYFJM-IBGZPJMESA-N 2 2 333.439 2.473 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262341190 464005667 /nfs/dbraw/zinc/00/56/67/464005667.db2.gz HXFOMSSUYILWTB-FXAWDEMLSA-N 2 2 343.471 2.237 10 0 EEAELP Cc1csc(=O)n1CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278133 464029916 /nfs/dbraw/zinc/02/99/16/464029916.db2.gz PEPWSZVINFKZNJ-KRWDZBQOSA-N 2 2 346.500 2.067 10 0 EEAELP Cc1csc(=O)n1CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278133 464029921 /nfs/dbraw/zinc/02/99/21/464029921.db2.gz PEPWSZVINFKZNJ-KRWDZBQOSA-N 2 2 346.500 2.067 10 0 EEAELP Cc1csc(=O)n1CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278133 464029924 /nfs/dbraw/zinc/02/99/24/464029924.db2.gz PEPWSZVINFKZNJ-KRWDZBQOSA-N 2 2 346.500 2.067 10 0 EEAELP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195278133 464029930 /nfs/dbraw/zinc/02/99/30/464029930.db2.gz PEPWSZVINFKZNJ-KRWDZBQOSA-N 2 2 346.500 2.067 10 0 EEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000195359100 464046125 /nfs/dbraw/zinc/04/61/25/464046125.db2.gz GLWDIBPBXAXONQ-UHFFFAOYSA-N 2 2 338.455 2.422 10 0 EEAELP C[C@@H]1[C@@H](C)CCN1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174949028 464471723 /nfs/dbraw/zinc/47/17/23/464471723.db2.gz RLIQCXUMFPABNC-DLBZAZTESA-N 2 2 336.524 2.377 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@@H+]1C ZINC000265920494 464734061 /nfs/dbraw/zinc/73/40/61/464734061.db2.gz BWUPEMFDJXKYKJ-YJBOKZPZSA-N 2 2 326.444 2.486 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC[N@H+]1C ZINC000265920494 464734064 /nfs/dbraw/zinc/73/40/64/464734064.db2.gz BWUPEMFDJXKYKJ-YJBOKZPZSA-N 2 2 326.444 2.486 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000176320363 464748307 /nfs/dbraw/zinc/74/83/07/464748307.db2.gz UNGDVROPKFLLJC-KRWDZBQOSA-N 2 2 344.463 2.351 10 0 EEAELP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248652872 464780819 /nfs/dbraw/zinc/78/08/19/464780819.db2.gz OFUBTYOTVIDZNC-AEFFLSMTSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248652872 464780825 /nfs/dbraw/zinc/78/08/25/464780825.db2.gz OFUBTYOTVIDZNC-AEFFLSMTSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@H](C(=O)NC1CCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248652872 464780833 /nfs/dbraw/zinc/78/08/33/464780833.db2.gz OFUBTYOTVIDZNC-AEFFLSMTSA-N 2 2 344.503 2.283 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CC3(CC3)c3ccccc32)CC1 ZINC000176747125 464839727 /nfs/dbraw/zinc/83/97/27/464839727.db2.gz JSKUOSJGGFXJLY-UHFFFAOYSA-N 2 2 342.487 2.274 10 0 EEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183439499 464864810 /nfs/dbraw/zinc/86/48/10/464864810.db2.gz GUAQEAUJBIVFHB-WMLDXEAASA-N 2 2 347.459 2.264 10 0 EEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)C1 ZINC000183439499 464864813 /nfs/dbraw/zinc/86/48/13/464864813.db2.gz GUAQEAUJBIVFHB-WMLDXEAASA-N 2 2 347.459 2.264 10 0 EEAELP C[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184660493 465014915 /nfs/dbraw/zinc/01/49/15/465014915.db2.gz SVPRTYMWDNJKAP-HZPDHXFCSA-N 2 2 330.476 2.287 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000343505443 465520329 /nfs/dbraw/zinc/52/03/29/465520329.db2.gz FCIMFFVAYBTVLN-LTDCPUDJSA-N 2 2 327.472 2.248 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C ZINC000343505443 465520339 /nfs/dbraw/zinc/52/03/39/465520339.db2.gz FCIMFFVAYBTVLN-LTDCPUDJSA-N 2 2 327.472 2.248 10 0 EEAELP CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348294379 465536399 /nfs/dbraw/zinc/53/63/99/465536399.db2.gz VJZMXMYTVLDKPM-BBRMVZONSA-N 2 2 330.432 2.400 10 0 EEAELP O[C@H](C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000348323158 465550909 /nfs/dbraw/zinc/55/09/09/465550909.db2.gz FZQWGWWQYJBWIV-OAGGEKHMSA-N 2 2 328.378 2.364 10 0 EEAELP CCCCNC(=O)NC(=O)C[NH+]1CCC(c2ccc(C)[nH+]c2)CC1 ZINC000361088256 465757650 /nfs/dbraw/zinc/75/76/50/465757650.db2.gz OWCMCSZIIZXYQN-UHFFFAOYSA-N 2 2 332.448 2.195 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000362573465 465842058 /nfs/dbraw/zinc/84/20/58/465842058.db2.gz SSJXVDSLFVPEBK-UONOGXRCSA-N 2 2 346.500 2.500 10 0 EEAELP CC(C)c1nc(N2CCC(C[NH+]3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000301861108 466047899 /nfs/dbraw/zinc/04/78/99/466047899.db2.gz AEFNKUTYYIXPDG-UHFFFAOYSA-N 2 2 332.496 2.373 10 0 EEAELP CSCC(C)(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000367153884 466162490 /nfs/dbraw/zinc/16/24/90/466162490.db2.gz PJNBQHZYRQSXQW-UHFFFAOYSA-N 2 2 341.565 2.442 10 0 EEAELP C[C@H]1C[N@H+](CCN2CC[NH+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250112 466216397 /nfs/dbraw/zinc/21/63/97/466216397.db2.gz FJSSVFANSZVSGS-OALUTQOASA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H]1C[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250112 466216401 /nfs/dbraw/zinc/21/64/01/466216401.db2.gz FJSSVFANSZVSGS-OALUTQOASA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H]1C[NH+](CCN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250112 466216411 /nfs/dbraw/zinc/21/64/11/466216411.db2.gz FJSSVFANSZVSGS-OALUTQOASA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H]1C[NH+](CCN2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250112 466216420 /nfs/dbraw/zinc/21/64/20/466216420.db2.gz FJSSVFANSZVSGS-OALUTQOASA-N 2 2 331.504 2.304 10 0 EEAELP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1[nH+]cc(C)c(OC)c1C ZINC000372279733 466271510 /nfs/dbraw/zinc/27/15/10/466271510.db2.gz ASXSYPJLFFAQJV-GJZGRUSLSA-N 2 2 336.432 2.250 10 0 EEAELP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1[nH+]cc(C)c(OC)c1C ZINC000372279733 466271514 /nfs/dbraw/zinc/27/15/14/466271514.db2.gz ASXSYPJLFFAQJV-GJZGRUSLSA-N 2 2 336.432 2.250 10 0 EEAELP Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000367385545 466306839 /nfs/dbraw/zinc/30/68/39/466306839.db2.gz YWRHRNUOFMTHIK-QGZVFWFLSA-N 2 2 331.464 2.396 10 0 EEAELP Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000367385545 466306846 /nfs/dbraw/zinc/30/68/46/466306846.db2.gz YWRHRNUOFMTHIK-QGZVFWFLSA-N 2 2 331.464 2.396 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)C2 ZINC000372406810 466358252 /nfs/dbraw/zinc/35/82/52/466358252.db2.gz ZZWZMMRJIWHZQM-MGPQQGTHSA-N 2 2 330.476 2.379 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)C2 ZINC000372406810 466358260 /nfs/dbraw/zinc/35/82/60/466358260.db2.gz ZZWZMMRJIWHZQM-MGPQQGTHSA-N 2 2 330.476 2.379 10 0 EEAELP COc1ccccc1/C=C/C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000367472332 466361340 /nfs/dbraw/zinc/36/13/40/466361340.db2.gz IYUWVRLZDACNLH-MTCRFPMVSA-N 2 2 329.488 2.420 10 0 EEAELP COc1ccccc1/C=C/C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000367472332 466361349 /nfs/dbraw/zinc/36/13/49/466361349.db2.gz IYUWVRLZDACNLH-MTCRFPMVSA-N 2 2 329.488 2.420 10 0 EEAELP CC1CC[NH+](CCCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000338799489 466385334 /nfs/dbraw/zinc/38/53/34/466385334.db2.gz JHRGQVQSGUHJPL-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP FC(F)[C@@H]1C[NH2+]CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000569457197 468493924 /nfs/dbraw/zinc/49/39/24/468493924.db2.gz UVNDSFTVBGAJJZ-NSHDSACASA-N 2 2 345.191 2.136 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000367707957 466508117 /nfs/dbraw/zinc/50/81/17/466508117.db2.gz PQUTVAAHFLTVLL-MRXNPFEDSA-N 2 2 337.427 2.079 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000367707957 466508121 /nfs/dbraw/zinc/50/81/21/466508121.db2.gz PQUTVAAHFLTVLL-MRXNPFEDSA-N 2 2 337.427 2.079 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@@H+]1C ZINC000341141887 466614611 /nfs/dbraw/zinc/61/46/11/466614611.db2.gz NKBLGQFSJOPDPP-NWDGAFQWSA-N 2 2 347.385 2.070 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@H+]1C ZINC000341141887 466614617 /nfs/dbraw/zinc/61/46/17/466614617.db2.gz NKBLGQFSJOPDPP-NWDGAFQWSA-N 2 2 347.385 2.070 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324240519 466645396 /nfs/dbraw/zinc/64/53/96/466645396.db2.gz XUHGMWONNJAILY-RTBURBONSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000324240519 466645398 /nfs/dbraw/zinc/64/53/98/466645398.db2.gz XUHGMWONNJAILY-RTBURBONSA-N 2 2 329.488 2.417 10 0 EEAELP C[C@@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C[C@H]1C[NH3+] ZINC000417068910 466770245 /nfs/dbraw/zinc/77/02/45/466770245.db2.gz JQPURPCDTZCHDP-CRAIPNDOSA-N 2 2 341.459 2.058 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1=O ZINC000370376591 466854764 /nfs/dbraw/zinc/85/47/64/466854764.db2.gz CYTQEUGPJISFBW-KRWDZBQOSA-N 2 2 340.427 2.403 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H](C)[NH3+] ZINC000423913198 466906475 /nfs/dbraw/zinc/90/64/75/466906475.db2.gz JITLOPQEHMXNIJ-CXAGYDPISA-N 2 2 337.895 2.434 10 0 EEAELP CC(C)[C@@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H](C)[NH3+] ZINC000423913198 466906480 /nfs/dbraw/zinc/90/64/80/466906480.db2.gz JITLOPQEHMXNIJ-CXAGYDPISA-N 2 2 337.895 2.434 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000365798848 466942956 /nfs/dbraw/zinc/94/29/56/466942956.db2.gz LPXZCKDHUKXLLV-OAHLLOKOSA-N 2 2 341.459 2.237 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000365798848 466942961 /nfs/dbraw/zinc/94/29/61/466942961.db2.gz LPXZCKDHUKXLLV-OAHLLOKOSA-N 2 2 341.459 2.237 10 0 EEAELP [NH3+]CCCNC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000418357082 467098404 /nfs/dbraw/zinc/09/84/04/467098404.db2.gz QLEJSUWYJWAHHJ-UHFFFAOYSA-N 2 2 335.839 2.097 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407455 467397751 /nfs/dbraw/zinc/39/77/51/467397751.db2.gz VJQBFMWLWLYAPA-HUUCEWRRSA-N 2 2 349.441 2.497 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407455 467397756 /nfs/dbraw/zinc/39/77/56/467397756.db2.gz VJQBFMWLWLYAPA-HUUCEWRRSA-N 2 2 349.441 2.497 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420410598 467399578 /nfs/dbraw/zinc/39/95/78/467399578.db2.gz YASRGHYAPZTXTN-WMZOPIPTSA-N 2 2 336.501 2.314 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420410598 467399581 /nfs/dbraw/zinc/39/95/81/467399581.db2.gz YASRGHYAPZTXTN-WMZOPIPTSA-N 2 2 336.501 2.314 10 0 EEAELP CC1=C[C@H](C)C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000430278233 467416545 /nfs/dbraw/zinc/41/65/45/467416545.db2.gz ICFKOHLHRJTAIL-INIZCTEOSA-N 2 2 343.471 2.355 10 0 EEAELP CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000430278233 467416549 /nfs/dbraw/zinc/41/65/49/467416549.db2.gz ICFKOHLHRJTAIL-INIZCTEOSA-N 2 2 343.471 2.355 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(OC)c1 ZINC000414908061 467447345 /nfs/dbraw/zinc/44/73/45/467447345.db2.gz AYGGCQHVNOZCOR-XEZPLFJOSA-N 2 2 335.448 2.009 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000449395424 467638839 /nfs/dbraw/zinc/63/88/39/467638839.db2.gz PXSHZUXRECDCQC-SFHVURJKSA-N 2 2 348.878 2.462 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000449395424 467638840 /nfs/dbraw/zinc/63/88/40/467638840.db2.gz PXSHZUXRECDCQC-SFHVURJKSA-N 2 2 348.878 2.462 10 0 EEAELP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458598 467854040 /nfs/dbraw/zinc/85/40/40/467854040.db2.gz YKQTZSXLQJUMAW-WOJBJXKFSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458598 467854044 /nfs/dbraw/zinc/85/40/44/467854044.db2.gz YKQTZSXLQJUMAW-WOJBJXKFSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450458598 467854048 /nfs/dbraw/zinc/85/40/48/467854048.db2.gz YKQTZSXLQJUMAW-WOJBJXKFSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450458598 467854053 /nfs/dbraw/zinc/85/40/53/467854053.db2.gz YKQTZSXLQJUMAW-WOJBJXKFSA-N 2 2 330.472 2.315 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@H]2CCC[NH+](Cc3cc(C)ncn3)CC2)ncn1 ZINC000516269721 468022434 /nfs/dbraw/zinc/02/24/34/468022434.db2.gz IILCMPDKOUFWJE-IBGZPJMESA-N 2 2 340.475 2.370 10 0 EEAELP Cc1cc(C[N@H+](C)[C@H]2CCC[NH+](Cc3cc(C)ncn3)CC2)ncn1 ZINC000516269721 468022438 /nfs/dbraw/zinc/02/24/38/468022438.db2.gz IILCMPDKOUFWJE-IBGZPJMESA-N 2 2 340.475 2.370 10 0 EEAELP Cc1cc(C[NH+](C)[C@H]2CCC[N@H+](Cc3cc(C)ncn3)CC2)ncn1 ZINC000516269721 468022441 /nfs/dbraw/zinc/02/24/41/468022441.db2.gz IILCMPDKOUFWJE-IBGZPJMESA-N 2 2 340.475 2.370 10 0 EEAELP Cc1cc(C[NH+](C)[C@H]2CCC[N@@H+](Cc3cc(C)ncn3)CC2)ncn1 ZINC000516269721 468022443 /nfs/dbraw/zinc/02/24/43/468022443.db2.gz IILCMPDKOUFWJE-IBGZPJMESA-N 2 2 340.475 2.370 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)o1 ZINC000532747411 468135959 /nfs/dbraw/zinc/13/59/59/468135959.db2.gz SWBZMXLYSBUSLH-HRCADAONSA-N 2 2 336.432 2.058 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)o1 ZINC000532747411 468135964 /nfs/dbraw/zinc/13/59/64/468135964.db2.gz SWBZMXLYSBUSLH-HRCADAONSA-N 2 2 336.432 2.058 10 0 EEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000519824805 468218192 /nfs/dbraw/zinc/21/81/92/468218192.db2.gz OUXUOLRXJMDUSV-IBGZPJMESA-N 2 2 348.512 2.227 10 0 EEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)c1 ZINC000519824805 468218197 /nfs/dbraw/zinc/21/81/97/468218197.db2.gz OUXUOLRXJMDUSV-IBGZPJMESA-N 2 2 348.512 2.227 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCCSc1ccccc1 ZINC000567888471 468230218 /nfs/dbraw/zinc/23/02/18/468230218.db2.gz GURRTBXGGNMINM-LJQANCHMSA-N 2 2 347.528 2.361 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NCCCSc1ccccc1 ZINC000567888471 468230224 /nfs/dbraw/zinc/23/02/24/468230224.db2.gz GURRTBXGGNMINM-LJQANCHMSA-N 2 2 347.528 2.361 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000570222465 468606990 /nfs/dbraw/zinc/60/69/90/468606990.db2.gz AKOJUTPZLZRWQO-RDJZCZTQSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000570222465 468606994 /nfs/dbraw/zinc/60/69/94/468606994.db2.gz AKOJUTPZLZRWQO-RDJZCZTQSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000570222465 468606997 /nfs/dbraw/zinc/60/69/97/468606997.db2.gz AKOJUTPZLZRWQO-RDJZCZTQSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000570222465 468607000 /nfs/dbraw/zinc/60/70/00/468607000.db2.gz AKOJUTPZLZRWQO-RDJZCZTQSA-N 2 2 326.868 2.068 10 0 EEAELP COC(=O)c1oc([C@@H](C)[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000592184578 468648365 /nfs/dbraw/zinc/64/83/65/468648365.db2.gz NMFIAJNWNQSOCV-CQSZACIVSA-N 2 2 336.432 2.232 10 0 EEAELP COC(=O)c1oc([C@@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000592184578 468648369 /nfs/dbraw/zinc/64/83/69/468648369.db2.gz NMFIAJNWNQSOCV-CQSZACIVSA-N 2 2 336.432 2.232 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000583151906 468652385 /nfs/dbraw/zinc/65/23/85/468652385.db2.gz LXDOXPRDEVTERJ-GOSISDBHSA-N 2 2 344.503 2.236 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000583151906 468652390 /nfs/dbraw/zinc/65/23/90/468652390.db2.gz LXDOXPRDEVTERJ-GOSISDBHSA-N 2 2 344.503 2.236 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)ccc2n1C ZINC000584289778 468838007 /nfs/dbraw/zinc/83/80/07/468838007.db2.gz IJAYQCVQIHNESW-IYJAJMOOSA-N 2 2 342.443 2.353 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000595556258 468900835 /nfs/dbraw/zinc/90/08/35/468900835.db2.gz BEXHJMVAKOVXBZ-HNNXBMFYSA-N 2 2 328.497 2.131 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000595556258 468900839 /nfs/dbraw/zinc/90/08/39/468900839.db2.gz BEXHJMVAKOVXBZ-HNNXBMFYSA-N 2 2 328.497 2.131 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000562371895 468945323 /nfs/dbraw/zinc/94/53/23/468945323.db2.gz AWNYAHZHXKCTBA-AWEZNQCLSA-N 2 2 339.443 2.184 10 0 EEAELP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000615650156 469292320 /nfs/dbraw/zinc/29/23/20/469292320.db2.gz FWGXFMCNMBACGP-JLSDUUJJSA-N 2 2 340.427 2.349 10 0 EEAELP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000615650156 469292323 /nfs/dbraw/zinc/29/23/23/469292323.db2.gz FWGXFMCNMBACGP-JLSDUUJJSA-N 2 2 340.427 2.349 10 0 EEAELP C[C@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000617013279 469571586 /nfs/dbraw/zinc/57/15/86/469571586.db2.gz PXKDRMDIJZOBGI-CRAIPNDOSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000617013279 469571587 /nfs/dbraw/zinc/57/15/87/469571587.db2.gz PXKDRMDIJZOBGI-CRAIPNDOSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC000617013279 469571592 /nfs/dbraw/zinc/57/15/92/469571592.db2.gz PXKDRMDIJZOBGI-CRAIPNDOSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC000617013279 469571596 /nfs/dbraw/zinc/57/15/96/469571596.db2.gz PXKDRMDIJZOBGI-CRAIPNDOSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(-n2cncn2)cc1Cl ZINC000629521862 469572004 /nfs/dbraw/zinc/57/20/04/469572004.db2.gz SMDCWIUVRCRMJL-LBPRGKRZSA-N 2 2 335.839 2.079 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(OC)c1 ZINC000629536659 469574754 /nfs/dbraw/zinc/57/47/54/469574754.db2.gz IHWKQTXTYXSRKL-HZSPNIEDSA-N 2 2 335.448 2.151 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000623548515 469689308 /nfs/dbraw/zinc/68/93/08/469689308.db2.gz XKLQVSXGOAEUJC-ZWKOTPCHSA-N 2 2 340.471 2.043 10 0 EEAELP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)nn1C1CCCCC1 ZINC000617765033 469795641 /nfs/dbraw/zinc/79/56/41/469795641.db2.gz QYMCRUYHAQFVNE-UHFFFAOYSA-N 2 2 349.523 2.310 10 0 EEAELP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)nn1C1CCCCC1 ZINC000617765033 469795643 /nfs/dbraw/zinc/79/56/43/469795643.db2.gz QYMCRUYHAQFVNE-UHFFFAOYSA-N 2 2 349.523 2.310 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000617766310 469797151 /nfs/dbraw/zinc/79/71/51/469797151.db2.gz GDQXRTOTLGDNIW-KBPBESRZSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000617766310 469797156 /nfs/dbraw/zinc/79/71/56/469797156.db2.gz GDQXRTOTLGDNIW-KBPBESRZSA-N 2 2 339.430 2.068 10 0 EEAELP Cc1[nH]c2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2c1C ZINC000617768463 469798439 /nfs/dbraw/zinc/79/84/39/469798439.db2.gz FEYVDXKTLXTQFH-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP Cc1[nH]c2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2c1C ZINC000617768463 469798441 /nfs/dbraw/zinc/79/84/41/469798441.db2.gz FEYVDXKTLXTQFH-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627204039 469843351 /nfs/dbraw/zinc/84/33/51/469843351.db2.gz AREBSKNIFMBARE-YCPHGPKFSA-N 2 2 336.505 2.277 10 0 EEAELP [NH3+]Cc1cccc(-n2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)c1 ZINC000630607339 469917560 /nfs/dbraw/zinc/91/75/60/469917560.db2.gz GXZFLSFXQZFYAX-UHFFFAOYSA-N 2 2 348.454 2.048 10 0 EEAELP C[NH+](C)CCC[C@@H]1CN(c2nc3ccccc3n3c[nH+]cc23)CCO1 ZINC000624410957 469931557 /nfs/dbraw/zinc/93/15/57/469931557.db2.gz OKJNDAMWMQXFDO-OAHLLOKOSA-N 2 2 339.443 2.430 10 0 EEAELP CCOc1cc2[nH+]ccc(NC[C@H]3COCC[N@@H+]3C)c2cc1OCC ZINC000624619918 469991446 /nfs/dbraw/zinc/99/14/46/469991446.db2.gz PQEUDBQEJIQNFY-AWEZNQCLSA-N 2 2 345.443 2.197 10 0 EEAELP CCOc1cc2[nH+]ccc(NC[C@H]3COCC[N@H+]3C)c2cc1OCC ZINC000624619918 469991449 /nfs/dbraw/zinc/99/14/49/469991449.db2.gz PQEUDBQEJIQNFY-AWEZNQCLSA-N 2 2 345.443 2.197 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000621333595 470032630 /nfs/dbraw/zinc/03/26/30/470032630.db2.gz JSSMBFYSNHHQFH-LJQANCHMSA-N 2 2 342.487 2.326 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000621333595 470032633 /nfs/dbraw/zinc/03/26/33/470032633.db2.gz JSSMBFYSNHHQFH-LJQANCHMSA-N 2 2 342.487 2.326 10 0 EEAELP CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631177507 470087302 /nfs/dbraw/zinc/08/73/02/470087302.db2.gz OUFOUWBQUGVHGY-SFHVURJKSA-N 2 2 348.487 2.302 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000621674008 470089583 /nfs/dbraw/zinc/08/95/83/470089583.db2.gz KTFMXNNKCGDBJW-CQSZACIVSA-N 2 2 343.393 2.480 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621782088 470106787 /nfs/dbraw/zinc/10/67/87/470106787.db2.gz MGQBSNAEQQZVKU-DKSSEZFCSA-N 2 2 331.435 2.443 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@H]([N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621782088 470106790 /nfs/dbraw/zinc/10/67/90/470106790.db2.gz MGQBSNAEQQZVKU-DKSSEZFCSA-N 2 2 331.435 2.443 10 0 EEAELP COc1cncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000625332206 470121327 /nfs/dbraw/zinc/12/13/27/470121327.db2.gz VJZZTOKNIYOSHT-MAUKXSAKSA-N 2 2 326.444 2.485 10 0 EEAELP COc1cncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000625332206 470121330 /nfs/dbraw/zinc/12/13/30/470121330.db2.gz VJZZTOKNIYOSHT-MAUKXSAKSA-N 2 2 326.444 2.485 10 0 EEAELP CC[C@@H](C[NH+]1CCCC1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631332139 470124027 /nfs/dbraw/zinc/12/40/27/470124027.db2.gz YWNNPAHENCWFOA-KRWDZBQOSA-N 2 2 326.444 2.405 10 0 EEAELP C[N@H+](CC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@@H]1CCSC1 ZINC000628774960 470154339 /nfs/dbraw/zinc/15/43/39/470154339.db2.gz XPRAUHGOFCWEMX-ZBFHGGJFSA-N 2 2 348.447 2.192 10 0 EEAELP C[N@@H+](CC(=O)N[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@@H]1CCSC1 ZINC000628774960 470154341 /nfs/dbraw/zinc/15/43/41/470154341.db2.gz XPRAUHGOFCWEMX-ZBFHGGJFSA-N 2 2 348.447 2.192 10 0 EEAELP CCN(CC(F)(F)F)C(=O)C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000631825762 470186025 /nfs/dbraw/zinc/18/60/25/470186025.db2.gz SWGMXJHTXMUIIB-UHFFFAOYSA-N 2 2 331.382 2.248 10 0 EEAELP CCN(CC(F)(F)F)C(=O)C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000631825762 470186026 /nfs/dbraw/zinc/18/60/26/470186026.db2.gz SWGMXJHTXMUIIB-UHFFFAOYSA-N 2 2 331.382 2.248 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887125 470189376 /nfs/dbraw/zinc/18/93/76/470189376.db2.gz OANFMEZUKAWXLL-UWWQBHOKSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631887125 470189377 /nfs/dbraw/zinc/18/93/77/470189377.db2.gz OANFMEZUKAWXLL-UWWQBHOKSA-N 2 2 333.451 2.419 10 0 EEAELP CC(C)(C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000634640536 470273323 /nfs/dbraw/zinc/27/33/23/470273323.db2.gz BHXNIGJKTJPGOL-FPOVZHCZSA-N 2 2 346.515 2.325 10 0 EEAELP CC(C)(C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000634640536 470273324 /nfs/dbraw/zinc/27/33/24/470273324.db2.gz BHXNIGJKTJPGOL-FPOVZHCZSA-N 2 2 346.515 2.325 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)cn21 ZINC000645932460 470464342 /nfs/dbraw/zinc/46/43/42/470464342.db2.gz MQINHKSDCYOROJ-QGZVFWFLSA-N 2 2 341.459 2.063 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)cn21 ZINC000645932460 470464346 /nfs/dbraw/zinc/46/43/46/470464346.db2.gz MQINHKSDCYOROJ-QGZVFWFLSA-N 2 2 341.459 2.063 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1nccn1-c1ccccc1)CCO2 ZINC000646105770 470529036 /nfs/dbraw/zinc/52/90/36/470529036.db2.gz HLFZXCAVANTJES-UHFFFAOYSA-N 2 2 326.444 2.169 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nccn1-c1ccccc1)CCO2 ZINC000646105770 470529038 /nfs/dbraw/zinc/52/90/38/470529038.db2.gz HLFZXCAVANTJES-UHFFFAOYSA-N 2 2 326.444 2.169 10 0 EEAELP [NH3+]Cc1ccc(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)o1 ZINC000646544909 470673519 /nfs/dbraw/zinc/67/35/19/470673519.db2.gz ZFITYIAIQVAZMS-UHFFFAOYSA-N 2 2 333.819 2.180 10 0 EEAELP [NH3+]Cc1ccc(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)o1 ZINC000646544909 470673522 /nfs/dbraw/zinc/67/35/22/470673522.db2.gz ZFITYIAIQVAZMS-UHFFFAOYSA-N 2 2 333.819 2.180 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000647246562 470866185 /nfs/dbraw/zinc/86/61/85/470866185.db2.gz JRBXJLMWDYGTPE-YVWKXTFCSA-N 2 2 332.488 2.417 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000647246562 470866189 /nfs/dbraw/zinc/86/61/89/470866189.db2.gz JRBXJLMWDYGTPE-YVWKXTFCSA-N 2 2 332.488 2.417 10 0 EEAELP CC[N@H+](CC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C)C1CC1 ZINC000650684038 470940301 /nfs/dbraw/zinc/94/03/01/470940301.db2.gz PHSMCFJWDFDZDX-KRWDZBQOSA-N 2 2 326.444 2.304 10 0 EEAELP CC[N@@H+](CC(=O)N[C@@H](Cc1ccccc1)c1[nH+]ccn1C)C1CC1 ZINC000650684038 470940307 /nfs/dbraw/zinc/94/03/07/470940307.db2.gz PHSMCFJWDFDZDX-KRWDZBQOSA-N 2 2 326.444 2.304 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899712 471010379 /nfs/dbraw/zinc/01/03/79/471010379.db2.gz SXOOLFXAIIMSEE-AEFFLSMTSA-N 2 2 345.487 2.118 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899712 471010381 /nfs/dbraw/zinc/01/03/81/471010381.db2.gz SXOOLFXAIIMSEE-AEFFLSMTSA-N 2 2 345.487 2.118 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000647899492 471010528 /nfs/dbraw/zinc/01/05/28/471010528.db2.gz MUTNOVBZOVEZSD-RYQLBKOJSA-N 2 2 343.471 2.090 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N[C@@H]1CCOc2ccccc21 ZINC000647899492 471010530 /nfs/dbraw/zinc/01/05/30/471010530.db2.gz MUTNOVBZOVEZSD-RYQLBKOJSA-N 2 2 343.471 2.090 10 0 EEAELP CN1CC[NH+](C[C@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)CC1 ZINC000644689382 471013657 /nfs/dbraw/zinc/01/36/57/471013657.db2.gz JWWHTUOILDFXJQ-HXUWFJFHSA-N 2 2 346.519 2.451 10 0 EEAELP C[NH+]1CCN(C[C@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)CC1 ZINC000644689382 471013660 /nfs/dbraw/zinc/01/36/60/471013660.db2.gz JWWHTUOILDFXJQ-HXUWFJFHSA-N 2 2 346.519 2.451 10 0 EEAELP COC1(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCCC1 ZINC000657800483 471235343 /nfs/dbraw/zinc/23/53/43/471235343.db2.gz FNBUOYTXJARFQS-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP COC1(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCCC1 ZINC000657800483 471235346 /nfs/dbraw/zinc/23/53/46/471235346.db2.gz FNBUOYTXJARFQS-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP [NH3+]CC1(CCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000652123929 471239846 /nfs/dbraw/zinc/23/98/46/471239846.db2.gz GIJGPIKMIWXPNS-UHFFFAOYSA-N 2 2 331.464 2.000 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000658340855 471290520 /nfs/dbraw/zinc/29/05/20/471290520.db2.gz FCNLINUQSZUVSZ-ZCNNSNEGSA-N 2 2 331.504 2.207 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000658340855 471290523 /nfs/dbraw/zinc/29/05/23/471290523.db2.gz FCNLINUQSZUVSZ-ZCNNSNEGSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244187 471290917 /nfs/dbraw/zinc/29/09/17/471290917.db2.gz NXGRCXQHXIPVED-LISAXSMJSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244187 471290919 /nfs/dbraw/zinc/29/09/19/471290919.db2.gz NXGRCXQHXIPVED-LISAXSMJSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244187 471290920 /nfs/dbraw/zinc/29/09/20/471290920.db2.gz NXGRCXQHXIPVED-LISAXSMJSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244187 471290923 /nfs/dbraw/zinc/29/09/23/471290923.db2.gz NXGRCXQHXIPVED-LISAXSMJSA-N 2 2 337.508 2.007 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC3(C4CCC4)CCC3)C2)CC1 ZINC000655552316 471378984 /nfs/dbraw/zinc/37/89/84/471378984.db2.gz VDUKTNNUPSWQJP-INIZCTEOSA-N 2 2 334.508 2.177 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC3(C4CCC4)CCC3)C2)CC1 ZINC000655552316 471378985 /nfs/dbraw/zinc/37/89/85/471378985.db2.gz VDUKTNNUPSWQJP-INIZCTEOSA-N 2 2 334.508 2.177 10 0 EEAELP COc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)ccc1OCC(F)(F)F ZINC000663498592 471401063 /nfs/dbraw/zinc/40/10/63/471401063.db2.gz QNNITHFNLVYEIP-UHFFFAOYSA-N 2 2 330.350 2.478 10 0 EEAELP CCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@H+](CC)C1 ZINC000663590342 471440717 /nfs/dbraw/zinc/44/07/17/471440717.db2.gz ITQNGAJQMQBELU-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CCN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663590342 471440721 /nfs/dbraw/zinc/44/07/21/471440721.db2.gz ITQNGAJQMQBELU-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1nnc2ccccn21 ZINC000655704894 471448476 /nfs/dbraw/zinc/44/84/76/471448476.db2.gz PIFWULNPPPFVPF-WMZOPIPTSA-N 2 2 343.475 2.269 10 0 EEAELP O=C(NC[C@H]1CCCC[NH2+]1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000666676764 471493117 /nfs/dbraw/zinc/49/31/17/471493117.db2.gz UREGPGOVOFKFLT-CYBMUJFWSA-N 2 2 337.493 2.393 10 0 EEAELP CC[C@](C)(NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000663876378 471559577 /nfs/dbraw/zinc/55/95/77/471559577.db2.gz FHMOUIHJOJMGHJ-IBGZPJMESA-N 2 2 336.524 2.423 10 0 EEAELP O=C(Cc1cn2ccccc2[nH+]1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659365284 471593783 /nfs/dbraw/zinc/59/37/83/471593783.db2.gz FXGLKPYLEQDLRI-QGZVFWFLSA-N 2 2 336.395 2.176 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667046702 471635288 /nfs/dbraw/zinc/63/52/88/471635288.db2.gz FSEJKDJBNGMEEX-KFWWJZLASA-N 2 2 332.492 2.387 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667046702 471635293 /nfs/dbraw/zinc/63/52/93/471635293.db2.gz FSEJKDJBNGMEEX-KFWWJZLASA-N 2 2 332.492 2.387 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000659474093 471645894 /nfs/dbraw/zinc/64/58/94/471645894.db2.gz QTDXUEYFJQQGKJ-NZVBXONLSA-N 2 2 342.846 2.131 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000659474093 471645898 /nfs/dbraw/zinc/64/58/98/471645898.db2.gz QTDXUEYFJQQGKJ-NZVBXONLSA-N 2 2 342.846 2.131 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000659622385 471701876 /nfs/dbraw/zinc/70/18/76/471701876.db2.gz QHPWIPGSGLDQEZ-QGZVFWFLSA-N 2 2 336.455 2.026 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000659621473 471702091 /nfs/dbraw/zinc/70/20/91/471702091.db2.gz FQMZPNVOMYPWMH-QGZVFWFLSA-N 2 2 335.496 2.458 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000659640395 471707564 /nfs/dbraw/zinc/70/75/64/471707564.db2.gz UOHLPPMFXFHBBY-KBPBESRZSA-N 2 2 338.883 2.336 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000656702405 471812558 /nfs/dbraw/zinc/81/25/58/471812558.db2.gz PRQPNHFYYLLBFF-IRXDYDNUSA-N 2 2 334.460 2.091 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000656702405 471812562 /nfs/dbraw/zinc/81/25/62/471812562.db2.gz PRQPNHFYYLLBFF-IRXDYDNUSA-N 2 2 334.460 2.091 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667735091 471885138 /nfs/dbraw/zinc/88/51/38/471885138.db2.gz HRLUXQLDZGFOBQ-UHFFFAOYSA-N 2 2 325.416 2.203 10 0 EEAELP C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1[nH+]ccn1C ZINC000660215328 471907620 /nfs/dbraw/zinc/90/76/20/471907620.db2.gz PNVMGSSGPPRFRD-ZIAGYGMSSA-N 2 2 331.420 2.210 10 0 EEAELP C[C@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)[N@@H+]1CCc2sccc2C1 ZINC000660321023 471941759 /nfs/dbraw/zinc/94/17/59/471941759.db2.gz KUSPXXSLCMXZFG-CHWSQXEVSA-N 2 2 347.488 2.289 10 0 EEAELP C[C@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)[N@H+]1CCc2sccc2C1 ZINC000660321023 471941763 /nfs/dbraw/zinc/94/17/63/471941763.db2.gz KUSPXXSLCMXZFG-CHWSQXEVSA-N 2 2 347.488 2.289 10 0 EEAELP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000665267790 471985607 /nfs/dbraw/zinc/98/56/07/471985607.db2.gz BXXMRLBPNUPDBY-AWEZNQCLSA-N 2 2 348.482 2.383 10 0 EEAELP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000665267790 471985613 /nfs/dbraw/zinc/98/56/13/471985613.db2.gz BXXMRLBPNUPDBY-AWEZNQCLSA-N 2 2 348.482 2.383 10 0 EEAELP OCCC[N@H+](C[C@H]1C[NH2+]CCO1)C(c1ccccc1)c1ccccc1 ZINC000662258488 472046601 /nfs/dbraw/zinc/04/66/01/472046601.db2.gz VFIUQLDYZQSGJH-HXUWFJFHSA-N 2 2 340.467 2.449 10 0 EEAELP OCCC[N@@H+](C[C@H]1C[NH2+]CCO1)C(c1ccccc1)c1ccccc1 ZINC000662258488 472046606 /nfs/dbraw/zinc/04/66/06/472046606.db2.gz VFIUQLDYZQSGJH-HXUWFJFHSA-N 2 2 340.467 2.449 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)CCO1 ZINC000662319105 472068841 /nfs/dbraw/zinc/06/88/41/472068841.db2.gz DLSZBTKBJVHBIT-MOPGFXCFSA-N 2 2 345.487 2.225 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)CCO1 ZINC000662319105 472068845 /nfs/dbraw/zinc/06/88/45/472068845.db2.gz DLSZBTKBJVHBIT-MOPGFXCFSA-N 2 2 345.487 2.225 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000665506836 472070789 /nfs/dbraw/zinc/07/07/89/472070789.db2.gz CWXYYCMTVFGGJM-QZTJIDSGSA-N 2 2 338.455 2.436 10 0 EEAELP COc1cc(C[N@H+](C)CC2C[NH+](C)C2)cc(OC)c1OCC(F)F ZINC000668538821 472164118 /nfs/dbraw/zinc/16/41/18/472164118.db2.gz HJNDHVRPXMMSEO-UHFFFAOYSA-N 2 2 344.402 2.341 10 0 EEAELP COc1cc(C[N@@H+](C)CC2C[NH+](C)C2)cc(OC)c1OCC(F)F ZINC000668538821 472164121 /nfs/dbraw/zinc/16/41/21/472164121.db2.gz HJNDHVRPXMMSEO-UHFFFAOYSA-N 2 2 344.402 2.341 10 0 EEAELP C[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)Cn1cc[nH+]c1 ZINC000662687931 472207108 /nfs/dbraw/zinc/20/71/08/472207108.db2.gz KUZOURGWDJKZER-YOEHRIQHSA-N 2 2 326.444 2.328 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)C1([NH2+]C2CC2)CCC1 ZINC000662695010 472211759 /nfs/dbraw/zinc/21/17/59/472211759.db2.gz VZEFZCZUCZFZKK-UHFFFAOYSA-N 2 2 329.444 2.132 10 0 EEAELP [NH3+]C1(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC2(CCC2)C1 ZINC000662751988 472235239 /nfs/dbraw/zinc/23/52/39/472235239.db2.gz NOVSENUHCZILRZ-UHFFFAOYSA-N 2 2 338.455 2.404 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662800132 472258019 /nfs/dbraw/zinc/25/80/19/472258019.db2.gz ZCHOPAJOOIXOQV-UKRRQHHQSA-N 2 2 325.815 2.222 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662800132 472258024 /nfs/dbraw/zinc/25/80/24/472258024.db2.gz ZCHOPAJOOIXOQV-UKRRQHHQSA-N 2 2 325.815 2.222 10 0 EEAELP CC1(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCC1 ZINC000683436499 485527226 /nfs/dbraw/zinc/52/72/26/485527226.db2.gz WWRZRJPWQSHOGE-MRXNPFEDSA-N 2 2 345.491 2.062 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000651364145 485538446 /nfs/dbraw/zinc/53/84/46/485538446.db2.gz UPHSBSLAOKKVPI-INIZCTEOSA-N 2 2 335.496 2.075 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000651364145 485538451 /nfs/dbraw/zinc/53/84/51/485538451.db2.gz UPHSBSLAOKKVPI-INIZCTEOSA-N 2 2 335.496 2.075 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000651364145 485538458 /nfs/dbraw/zinc/53/84/58/485538458.db2.gz UPHSBSLAOKKVPI-INIZCTEOSA-N 2 2 335.496 2.075 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000651364145 485538462 /nfs/dbraw/zinc/53/84/62/485538462.db2.gz UPHSBSLAOKKVPI-INIZCTEOSA-N 2 2 335.496 2.075 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccccc1)CC2 ZINC000624760699 485679802 /nfs/dbraw/zinc/67/98/02/485679802.db2.gz FYYFWTKDYINJRO-GOSISDBHSA-N 2 2 340.471 2.344 10 0 EEAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674364809 485712732 /nfs/dbraw/zinc/71/27/32/485712732.db2.gz VTZUWCIDABOQAZ-SFHVURJKSA-N 2 2 339.443 2.175 10 0 EEAELP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674364809 485712741 /nfs/dbraw/zinc/71/27/41/485712741.db2.gz VTZUWCIDABOQAZ-SFHVURJKSA-N 2 2 339.443 2.175 10 0 EEAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674364809 485712748 /nfs/dbraw/zinc/71/27/48/485712748.db2.gz VTZUWCIDABOQAZ-SFHVURJKSA-N 2 2 339.443 2.175 10 0 EEAELP O=C([C@@H]1CCC[N@H+]1Cc1ccccn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674364809 485712756 /nfs/dbraw/zinc/71/27/56/485712756.db2.gz VTZUWCIDABOQAZ-SFHVURJKSA-N 2 2 339.443 2.175 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000634699731 485821077 /nfs/dbraw/zinc/82/10/77/485821077.db2.gz OCPLNJNKRAEFHJ-AABGKKOBSA-N 2 2 332.488 2.153 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000634699731 485821079 /nfs/dbraw/zinc/82/10/79/485821079.db2.gz OCPLNJNKRAEFHJ-AABGKKOBSA-N 2 2 332.488 2.153 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000679889342 485836936 /nfs/dbraw/zinc/83/69/36/485836936.db2.gz NMEIXXAEMAKUOQ-OAHLLOKOSA-N 2 2 333.480 2.229 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000679889342 485836941 /nfs/dbraw/zinc/83/69/41/485836941.db2.gz NMEIXXAEMAKUOQ-OAHLLOKOSA-N 2 2 333.480 2.229 10 0 EEAELP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C1 ZINC000130589715 526421209 /nfs/dbraw/zinc/42/12/09/526421209.db2.gz BPLRBGZBPVUFLW-HNNXBMFYSA-N 2 2 343.431 2.366 10 0 EEAELP CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422641143 536182753 /nfs/dbraw/zinc/18/27/53/536182753.db2.gz XDDBCUJJMNOAOV-HNNXBMFYSA-N 2 2 333.501 2.412 10 0 EEAELP O=C(C[N@@H+]1CC[C@H]2C[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000761085554 577676199 /nfs/dbraw/zinc/67/61/99/577676199.db2.gz NBOJRPRRTFVCRU-DOTOQJQBSA-N 2 2 331.485 2.268 10 0 EEAELP O=C(C[N@H+]1CC[C@H]2C[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000761085554 577676200 /nfs/dbraw/zinc/67/62/00/577676200.db2.gz NBOJRPRRTFVCRU-DOTOQJQBSA-N 2 2 331.485 2.268 10 0 EEAELP CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000753951293 577797347 /nfs/dbraw/zinc/79/73/47/577797347.db2.gz UXUNLMJZPGVBRU-MOPGFXCFSA-N 2 2 346.471 2.303 10 0 EEAELP CC(C)[N@H+]1CCO[C@@H](COC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000753951293 577797348 /nfs/dbraw/zinc/79/73/48/577797348.db2.gz UXUNLMJZPGVBRU-MOPGFXCFSA-N 2 2 346.471 2.303 10 0 EEAELP CC(C)[NH+]1CCO[C@@H](COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000753951293 577797349 /nfs/dbraw/zinc/79/73/49/577797349.db2.gz UXUNLMJZPGVBRU-MOPGFXCFSA-N 2 2 346.471 2.303 10 0 EEAELP CC(C)[NH+]1CCO[C@@H](COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000753951293 577797350 /nfs/dbraw/zinc/79/73/50/577797350.db2.gz UXUNLMJZPGVBRU-MOPGFXCFSA-N 2 2 346.471 2.303 10 0 EEAELP CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000926255529 676862055 /nfs/dbraw/zinc/86/20/55/676862055.db2.gz XCZODALQRBJALS-ZFWWWQNUSA-N 2 2 337.489 2.469 10 0 EEAELP CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000926255529 676862057 /nfs/dbraw/zinc/86/20/57/676862057.db2.gz XCZODALQRBJALS-ZFWWWQNUSA-N 2 2 337.489 2.469 10 0 EEAELP C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894538183 682960775 /nfs/dbraw/zinc/96/07/75/682960775.db2.gz IOZSBMWSVJEZFA-ZWNOBZJWSA-N 2 2 328.359 2.025 10 0 EEAELP C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894538183 682960780 /nfs/dbraw/zinc/96/07/80/682960780.db2.gz IOZSBMWSVJEZFA-ZWNOBZJWSA-N 2 2 328.359 2.025 10 0 EEAELP O=C1CC[C@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCN1 ZINC000895648625 684670684 /nfs/dbraw/zinc/67/06/84/684670684.db2.gz WMWXBRVEPLQLFD-WMZOPIPTSA-N 2 2 328.460 2.052 10 0 EEAELP O=C1CC[C@H]([NH2+]c2ccc(N3CC[N@H+]4CCC[C@H]4C3)cc2)CCN1 ZINC000895648625 684670686 /nfs/dbraw/zinc/67/06/86/684670686.db2.gz WMWXBRVEPLQLFD-WMZOPIPTSA-N 2 2 328.460 2.052 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCC[N@H+](CCF)C2)CC1 ZINC000898494368 693339726 /nfs/dbraw/zinc/33/97/26/693339726.db2.gz LDNYEOLIDUJYMD-KRWDZBQOSA-N 2 2 348.466 2.157 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCC[N@@H+](CCF)C2)CC1 ZINC000898494368 693339732 /nfs/dbraw/zinc/33/97/32/693339732.db2.gz LDNYEOLIDUJYMD-KRWDZBQOSA-N 2 2 348.466 2.157 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ncc(C)s2)CC1(C)C ZINC001485582026 1191848532 /nfs/dbraw/zinc/84/85/32/1191848532.db2.gz MDYLXGHHUYQYRR-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ncc(C)s2)CC1(C)C ZINC001485582026 1191848534 /nfs/dbraw/zinc/84/85/34/1191848534.db2.gz MDYLXGHHUYQYRR-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC001485582026 1191848536 /nfs/dbraw/zinc/84/85/36/1191848536.db2.gz MDYLXGHHUYQYRR-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC001485582026 1191848538 /nfs/dbraw/zinc/84/85/38/1191848538.db2.gz MDYLXGHHUYQYRR-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(Cl)nc1)n1cc[nH+]c1 ZINC001690981077 1176417821 /nfs/dbraw/zinc/41/78/21/1176417821.db2.gz ZFZWIIKNIDGZII-CYBMUJFWSA-N 2 2 335.839 2.131 10 0 EEAELP C[C@H](CC(=O)NCC[N@@H+](C)Cc1ccc(Cl)nc1)n1cc[nH+]c1 ZINC001690981077 1176417823 /nfs/dbraw/zinc/41/78/23/1176417823.db2.gz ZFZWIIKNIDGZII-CYBMUJFWSA-N 2 2 335.839 2.131 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1)c1c(F)cccc1F ZINC001670365246 1176463572 /nfs/dbraw/zinc/46/35/72/1176463572.db2.gz MLEREJJBYHTLAT-CYBMUJFWSA-N 2 2 336.386 2.361 10 0 EEAELP CC(C)CCC[NH2+][C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001266414444 1176505106 /nfs/dbraw/zinc/50/51/06/1176505106.db2.gz BZMYEJGUHKQFDJ-WMZOPIPTSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001670544691 1176876488 /nfs/dbraw/zinc/87/64/88/1176876488.db2.gz PCAXVKOJVCXVOL-GFCCVEGCSA-N 2 2 331.247 2.064 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC001266746638 1177339200 /nfs/dbraw/zinc/33/92/00/1177339200.db2.gz YBSOOMMNHXTTHI-KRWDZBQOSA-N 2 2 340.471 2.311 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CCC[C@H]3CCOC3)ccn12 ZINC001691319661 1177904554 /nfs/dbraw/zinc/90/45/54/1177904554.db2.gz QGLFTQXMPAGNLC-INIZCTEOSA-N 2 2 344.459 2.121 10 0 EEAELP CCc1noc(C)c1C[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691362002 1177965236 /nfs/dbraw/zinc/96/52/36/1177965236.db2.gz DBUSNTRJXLKSAQ-UHFFFAOYSA-N 2 2 341.415 2.284 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001267073110 1178192059 /nfs/dbraw/zinc/19/20/59/1178192059.db2.gz NWXRANWWDGKQLA-RRGNZLCHSA-N 2 2 338.455 2.425 10 0 EEAELP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001267396363 1178966436 /nfs/dbraw/zinc/96/64/36/1178966436.db2.gz STZXQYDVIDBBHI-GOSISDBHSA-N 2 2 340.471 2.311 10 0 EEAELP CN(CC[NH2+]Cc1cc2ccccc2s1)C(=O)Cn1cc[nH+]c1 ZINC001267479623 1179126517 /nfs/dbraw/zinc/12/65/17/1179126517.db2.gz XKIWLOKKVUPWTL-UHFFFAOYSA-N 2 2 328.441 2.346 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c(C)s1 ZINC001481247252 1180446452 /nfs/dbraw/zinc/44/64/52/1180446452.db2.gz BWBHJEHCDPBPEF-OAHLLOKOSA-N 2 2 346.500 2.372 10 0 EEAELP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001481249370 1180461506 /nfs/dbraw/zinc/46/15/06/1180461506.db2.gz DOHBCEOBWMSJCD-HNNXBMFYSA-N 2 2 346.862 2.347 10 0 EEAELP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC001267790170 1180535047 /nfs/dbraw/zinc/53/50/47/1180535047.db2.gz NKWGJDSUMIHIAA-KRWDZBQOSA-N 2 2 348.491 2.000 10 0 EEAELP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC001267790170 1180535051 /nfs/dbraw/zinc/53/50/51/1180535051.db2.gz NKWGJDSUMIHIAA-KRWDZBQOSA-N 2 2 348.491 2.000 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1 ZINC001268088789 1181707841 /nfs/dbraw/zinc/70/78/41/1181707841.db2.gz CYJQXBHEHFQMSN-KGLIPLIRSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1 ZINC001268088789 1181707847 /nfs/dbraw/zinc/70/78/47/1181707847.db2.gz CYJQXBHEHFQMSN-KGLIPLIRSA-N 2 2 334.489 2.329 10 0 EEAELP Cc1ccccc1C[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481605004 1181856741 /nfs/dbraw/zinc/85/67/41/1181856741.db2.gz SRIDLANQRZLJAE-LJQANCHMSA-N 2 2 329.488 2.416 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)oc1C ZINC001268168415 1181916925 /nfs/dbraw/zinc/91/69/25/1181916925.db2.gz YENOMUUKKBTNMO-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268278394 1182144166 /nfs/dbraw/zinc/14/41/66/1182144166.db2.gz NROHVNHBLCGKGS-YPMHNXCESA-N 2 2 332.370 2.169 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268278394 1182144170 /nfs/dbraw/zinc/14/41/70/1182144170.db2.gz NROHVNHBLCGKGS-YPMHNXCESA-N 2 2 332.370 2.169 10 0 EEAELP COCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001268280935 1182147894 /nfs/dbraw/zinc/14/78/94/1182147894.db2.gz OLLKCCHGXLEAJY-HOTGVXAUSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268377169 1182393227 /nfs/dbraw/zinc/39/32/27/1182393227.db2.gz HKDDFXZBWXYEDG-DQSXNGOJSA-N 2 2 345.274 2.249 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1C ZINC001481826691 1182756144 /nfs/dbraw/zinc/75/61/44/1182756144.db2.gz TVYUMDZXAOIKIA-WMZOPIPTSA-N 2 2 340.471 2.439 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1F)C(=O)CCn1cc[nH+]c1 ZINC001268466874 1182799819 /nfs/dbraw/zinc/79/98/19/1182799819.db2.gz ACBKDRPPMNQFTO-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP CC[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+][C@@H]1CCc2ccccc21 ZINC001481870360 1182844517 /nfs/dbraw/zinc/84/45/17/1182844517.db2.gz MGWAETFYYLGFPA-MAUKXSAKSA-N 2 2 326.444 2.135 10 0 EEAELP CC(C)C[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268559843 1183256239 /nfs/dbraw/zinc/25/62/39/1183256239.db2.gz GYGUHVXVMHPQIS-XPQDNOAISA-N 2 2 332.492 2.390 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)Cn1cc[nH+]c1 ZINC001268964126 1183853921 /nfs/dbraw/zinc/85/39/21/1183853921.db2.gz GZOXANZUKNLOLT-QGZVFWFLSA-N 2 2 340.471 2.126 10 0 EEAELP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482301530 1185213144 /nfs/dbraw/zinc/21/31/44/1185213144.db2.gz NWWFMWYSCIXGCE-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC001482301950 1185215543 /nfs/dbraw/zinc/21/55/43/1185215543.db2.gz XNIIWMGKIMAJBE-XJKSGUPXSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1oncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001482448436 1185800950 /nfs/dbraw/zinc/80/09/50/1185800950.db2.gz CNMFNIMRWNOQFU-KRWDZBQOSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1oncc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001482448436 1185800962 /nfs/dbraw/zinc/80/09/62/1185800962.db2.gz CNMFNIMRWNOQFU-KRWDZBQOSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001271120058 1185911311 /nfs/dbraw/zinc/91/13/11/1185911311.db2.gz DWDONXPHPQINPS-INIZCTEOSA-N 2 2 344.459 2.085 10 0 EEAELP C[C@H]([NH2+]CCCc1ccccc1)[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001271529403 1186293371 /nfs/dbraw/zinc/29/33/71/1186293371.db2.gz FLPKCFKSQNHTIN-WMZOPIPTSA-N 2 2 340.471 2.412 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)CCc1[nH+]ccn1C ZINC001482938745 1187861717 /nfs/dbraw/zinc/86/17/17/1187861717.db2.gz CBZXFKJDMXMGFR-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP CCN(CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001482952837 1187879062 /nfs/dbraw/zinc/87/90/62/1187879062.db2.gz YNYSESFVPLLTOA-QGZVFWFLSA-N 2 2 348.397 2.356 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1 ZINC001483016874 1188003971 /nfs/dbraw/zinc/00/39/71/1188003971.db2.gz GNETWIGGLGIDPP-AATRIKPKSA-N 2 2 334.464 2.044 10 0 EEAELP Cc1noc(C)c1C[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001409272996 1188523817 /nfs/dbraw/zinc/52/38/17/1188523817.db2.gz MMSQGVUADQTBMK-UWTIGNOOSA-N 2 2 345.447 2.124 10 0 EEAELP C[C@@H]([NH2+]Cc1ccncc1Cl)[C@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001409473370 1189780367 /nfs/dbraw/zinc/78/03/67/1189780367.db2.gz PZTDAQQKAKRLQJ-KGLIPLIRSA-N 2 2 349.866 2.395 10 0 EEAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC=C(Cl)Cl ZINC001485944113 1193654019 /nfs/dbraw/zinc/65/40/19/1193654019.db2.gz KUBWINMUEHHBCX-JTQLQIEISA-N 2 2 333.263 2.443 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)c1csnn1 ZINC001483473420 1190494827 /nfs/dbraw/zinc/49/48/27/1190494827.db2.gz FCOQESDMABSBIP-LLVKDONJSA-N 2 2 344.444 2.227 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]Cc4cncs4)CC3)ccn12 ZINC001483735694 1190853953 /nfs/dbraw/zinc/85/39/53/1190853953.db2.gz VARCPMPYJKVQQS-UHFFFAOYSA-N 2 2 341.440 2.151 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC001483780057 1191024520 /nfs/dbraw/zinc/02/45/20/1191024520.db2.gz ZGOKXKZITFSZKY-HNNXBMFYSA-N 2 2 346.381 2.156 10 0 EEAELP C[C@@H](O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001483814120 1191058893 /nfs/dbraw/zinc/05/88/93/1191058893.db2.gz PHCXMFHPBURRLL-DJIMGWMZSA-N 2 2 348.491 2.035 10 0 EEAELP C[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CCCCCC1 ZINC001483814120 1191058896 /nfs/dbraw/zinc/05/88/96/1191058896.db2.gz PHCXMFHPBURRLL-DJIMGWMZSA-N 2 2 348.491 2.035 10 0 EEAELP C[C@@H](O)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001483814120 1191058899 /nfs/dbraw/zinc/05/88/99/1191058899.db2.gz PHCXMFHPBURRLL-DJIMGWMZSA-N 2 2 348.491 2.035 10 0 EEAELP C[C@@H](O)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CCCCCC1 ZINC001483814120 1191058901 /nfs/dbraw/zinc/05/89/01/1191058901.db2.gz PHCXMFHPBURRLL-DJIMGWMZSA-N 2 2 348.491 2.035 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](NC(=O)CCn2cc[nH+]c2)C2CCCC2)o1 ZINC001484004514 1191149093 /nfs/dbraw/zinc/14/90/93/1191149093.db2.gz AIGINQCFUODRTG-KRWDZBQOSA-N 2 2 345.447 2.034 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001484534292 1191402092 /nfs/dbraw/zinc/40/20/92/1191402092.db2.gz VVBKTVYTGRTORS-OAHLLOKOSA-N 2 2 332.473 2.363 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)sn1 ZINC001484546799 1191408382 /nfs/dbraw/zinc/40/83/82/1191408382.db2.gz HJKMEQIJOVHMKX-AWEZNQCLSA-N 2 2 347.488 2.054 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CCC2)o1 ZINC001484660338 1191461353 /nfs/dbraw/zinc/46/13/53/1191461353.db2.gz GOSUDAXUMCWVNW-CVEARBPZSA-N 2 2 348.491 2.232 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC[C@H]2CC2(Cl)Cl)CCC1 ZINC001484664956 1191463973 /nfs/dbraw/zinc/46/39/73/1191463973.db2.gz VXRZDFMSBLHBBJ-LBPRGKRZSA-N 2 2 345.274 2.096 10 0 EEAELP COCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484772664 1191515044 /nfs/dbraw/zinc/51/50/44/1191515044.db2.gz YRYXWVRRMLXUAP-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484772664 1191515047 /nfs/dbraw/zinc/51/50/47/1191515047.db2.gz YRYXWVRRMLXUAP-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484772668 1191515070 /nfs/dbraw/zinc/51/50/70/1191515070.db2.gz YRYXWVRRMLXUAP-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484772668 1191515072 /nfs/dbraw/zinc/51/50/72/1191515072.db2.gz YRYXWVRRMLXUAP-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCC[N@@H+]1CCOC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001485008487 1191613741 /nfs/dbraw/zinc/61/37/41/1191613741.db2.gz KNNZIVQYPFSKNE-UHFFFAOYSA-N 2 2 348.491 2.157 10 0 EEAELP CCCCC[N@H+]1CCOC2(CCN(C(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001485008487 1191613742 /nfs/dbraw/zinc/61/37/42/1191613742.db2.gz KNNZIVQYPFSKNE-UHFFFAOYSA-N 2 2 348.491 2.157 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001485176611 1191677522 /nfs/dbraw/zinc/67/75/22/1191677522.db2.gz KLYXPYPWVHSCAZ-CVEARBPZSA-N 2 2 344.459 2.273 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001485336207 1191740412 /nfs/dbraw/zinc/74/04/12/1191740412.db2.gz KREXITZUCREMQF-UONOGXRCSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001485336207 1191740413 /nfs/dbraw/zinc/74/04/13/1191740413.db2.gz KREXITZUCREMQF-UONOGXRCSA-N 2 2 328.407 2.145 10 0 EEAELP CCOCCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC001486244943 1193770986 /nfs/dbraw/zinc/77/09/86/1193770986.db2.gz PVPZIWIUTLEGOD-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP C[NH+](C)C1(C)CCC(NC(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000871359359 1197699139 /nfs/dbraw/zinc/69/91/39/1197699139.db2.gz DHHDHZMJMZTDMJ-UHFFFAOYSA-N 2 2 327.432 2.260 10 0 EEAELP CCCNc1cc(N2CCN(c3cc[nH+]cc3OC)CC2)nc[nH+]1 ZINC000865750342 1198360225 /nfs/dbraw/zinc/36/02/25/1198360225.db2.gz NYYDYPAENMNRPX-UHFFFAOYSA-N 2 2 328.420 2.029 10 0 EEAELP CCCNc1cc(N2CCN(c3cc[nH+]cc3OC)CC2)[nH+]cn1 ZINC000865750342 1198360230 /nfs/dbraw/zinc/36/02/30/1198360230.db2.gz NYYDYPAENMNRPX-UHFFFAOYSA-N 2 2 328.420 2.029 10 0 EEAELP CCCNc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nc[nH+]1 ZINC000865936069 1198429664 /nfs/dbraw/zinc/42/96/64/1198429664.db2.gz DMVCURSZUUYEBA-KRWDZBQOSA-N 2 2 341.459 2.477 10 0 EEAELP CCCNc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nc[nH+]1 ZINC000865936069 1198429671 /nfs/dbraw/zinc/42/96/71/1198429671.db2.gz DMVCURSZUUYEBA-KRWDZBQOSA-N 2 2 341.459 2.477 10 0 EEAELP CCCNc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH+]cn1 ZINC000865936069 1198429678 /nfs/dbraw/zinc/42/96/78/1198429678.db2.gz DMVCURSZUUYEBA-KRWDZBQOSA-N 2 2 341.459 2.477 10 0 EEAELP CCCNc1cc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH+]cn1 ZINC000865936069 1198429682 /nfs/dbraw/zinc/42/96/82/1198429682.db2.gz DMVCURSZUUYEBA-KRWDZBQOSA-N 2 2 341.459 2.477 10 0 EEAELP C[N@H+](CC(=O)OC[C@H]1CCC[NH+]1Cc1ccco1)[C@@H]1CCSC1 ZINC000127203364 1200557552 /nfs/dbraw/zinc/55/75/52/1200557552.db2.gz DFNYUERXQBGZSG-HUUCEWRRSA-N 2 2 338.473 2.225 10 0 EEAELP C[N@@H+](CC(=O)OC[C@H]1CCC[NH+]1Cc1ccco1)[C@@H]1CCSC1 ZINC000127203364 1200557560 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ITXJMBFMEYQDOV-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001566824426 1342637301 /nfs/dbraw/zinc/63/73/01/1342637301.db2.gz ITXJMBFMEYQDOV-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001567626898 1342796235 /nfs/dbraw/zinc/79/62/35/1342796235.db2.gz KBOBROPELCMNPJ-ZBFHGGJFSA-N 2 2 336.455 2.022 10 0 EEAELP CCN(CC[NH2+]Cc1c(F)cccc1F)C(=O)Cn1c[nH+]cc1C ZINC001568760483 1342849015 /nfs/dbraw/zinc/84/90/15/1342849015.db2.gz PCZOLFBZJRODGW-UHFFFAOYSA-N 2 2 336.386 2.108 10 0 EEAELP CCOCC[N@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001676049283 1357095604 /nfs/dbraw/zinc/09/56/04/1357095604.db2.gz DHQCLARZQKBIFK-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP CCOCC[N@@H+](C)C1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001676049283 1357095607 /nfs/dbraw/zinc/09/56/07/1357095607.db2.gz DHQCLARZQKBIFK-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP 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1357302158 /nfs/dbraw/zinc/30/21/58/1357302158.db2.gz QTANOIZJAJDQMR-JKSUJKDBSA-N 2 2 335.496 2.321 10 0 EEAELP CCC(CC)Nc1cc[nH+]cc1NC(=O)C=C(C)C[NH+]1CCOCC1 ZINC001625222681 1352443171 /nfs/dbraw/zinc/44/31/71/1352443171.db2.gz QMUYKMPHFPGYKI-QINSGFPZSA-N 2 2 346.475 2.321 10 0 EEAELP CCNc1cc(CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc[nH+]1 ZINC001650533456 1353977067 /nfs/dbraw/zinc/97/70/67/1353977067.db2.gz ASMHFGLJXDTIAO-ZDUSSCGKSA-N 2 2 330.436 2.154 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001650606884 1354019528 /nfs/dbraw/zinc/01/95/28/1354019528.db2.gz YIUOWKLYLRAYQO-LALPHHSUSA-N 2 2 348.397 2.079 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001650606884 1354019531 /nfs/dbraw/zinc/01/95/31/1354019531.db2.gz YIUOWKLYLRAYQO-LALPHHSUSA-N 2 2 348.397 2.079 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001656179123 1354211105 /nfs/dbraw/zinc/21/11/05/1354211105.db2.gz NQQZIVDKEOJELD-CALCHBBNSA-N 2 2 348.491 2.107 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001661258122 1354619384 /nfs/dbraw/zinc/61/93/84/1354619384.db2.gz WTAJCCKHAGFHMQ-ZFULPLIJSA-N 2 2 342.487 2.477 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001661258122 1354619388 /nfs/dbraw/zinc/61/93/88/1354619388.db2.gz WTAJCCKHAGFHMQ-ZFULPLIJSA-N 2 2 342.487 2.477 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2ccns2)c[nH+]1 ZINC001668107278 1355873389 /nfs/dbraw/zinc/87/33/89/1355873389.db2.gz SGLGXJMHPZQMLN-GFCCVEGCSA-N 2 2 335.477 2.068 10 0 EEAELP O=C(NCC=CC[NH2+]CCC[C@H]1CCOC1)c1cc2c[nH+]ccc2[nH]1 ZINC001668887900 1356036139 /nfs/dbraw/zinc/03/61/39/1356036139.db2.gz ROYGKPUEGLYZDQ-OYADATRGSA-N 2 2 342.443 2.255 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)c1ncc(C(C)(C)C)o1 ZINC001668979149 1356060338 /nfs/dbraw/zinc/06/03/38/1356060338.db2.gz QUETYOCFGDUVOI-YOVCOIKASA-N 2 2 348.491 2.389 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C)c1ncc(C(C)(C)C)o1 ZINC001668979149 1356060343 /nfs/dbraw/zinc/06/03/43/1356060343.db2.gz QUETYOCFGDUVOI-YOVCOIKASA-N 2 2 348.491 2.389 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001669080401 1356087846 /nfs/dbraw/zinc/08/78/46/1356087846.db2.gz ONXFCPVVXIKGFO-DHMVDLOISA-N 2 2 340.418 2.286 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001669080401 1356087852 /nfs/dbraw/zinc/08/78/52/1356087852.db2.gz ONXFCPVVXIKGFO-DHMVDLOISA-N 2 2 340.418 2.286 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001669330527 1356146655 /nfs/dbraw/zinc/14/66/55/1356146655.db2.gz BYOGCLSKNOQWAL-SJLPKXTDSA-N 2 2 340.471 2.091 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)n1 ZINC001670130625 1356281870 /nfs/dbraw/zinc/28/18/70/1356281870.db2.gz OAXVLGKVXIVHGY-IAGOWNOFSA-N 2 2 341.459 2.163 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)n1 ZINC001670130625 1356281875 /nfs/dbraw/zinc/28/18/75/1356281875.db2.gz OAXVLGKVXIVHGY-IAGOWNOFSA-N 2 2 341.459 2.163 10 0 EEAELP CN(CCC[NH2+]Cc1cncs1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001670145316 1356284951 /nfs/dbraw/zinc/28/49/51/1356284951.db2.gz YIFCTGDYNUSXEW-UHFFFAOYSA-N 2 2 329.429 2.271 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC001670148781 1356285634 /nfs/dbraw/zinc/28/56/34/1356285634.db2.gz HLWXMEFZGQXYQM-MRXNPFEDSA-N 2 2 346.500 2.454 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001671388901 1356334282 /nfs/dbraw/zinc/33/42/82/1356334282.db2.gz HPFMZXXEOFUVJE-CABCVRRESA-N 2 2 340.418 2.289 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N(CC[NH2+]CC1CCC1)Cc1ccccc1 ZINC001672400489 1356515467 /nfs/dbraw/zinc/51/54/67/1356515467.db2.gz FYASJPIFIRSAIT-UHFFFAOYSA-N 2 2 340.471 2.381 10 0 EEAELP Cc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001672874027 1356603830 /nfs/dbraw/zinc/60/38/30/1356603830.db2.gz BRRATJBYUHZSMS-HOCLYGCPSA-N 2 2 345.447 2.159 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001672880719 1356606587 /nfs/dbraw/zinc/60/65/87/1356606587.db2.gz XRDQMEDVZIQDBY-HZPDHXFCSA-N 2 2 341.459 2.012 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccccn2)C1 ZINC001672880719 1356606592 /nfs/dbraw/zinc/60/65/92/1356606592.db2.gz XRDQMEDVZIQDBY-HZPDHXFCSA-N 2 2 341.459 2.012 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]CCc2cccs2)CC1 ZINC001672994046 1356627801 /nfs/dbraw/zinc/62/78/01/1356627801.db2.gz ALTJWNHKWHVJCX-WKILWMFISA-N 2 2 346.500 2.452 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001698947213 1405176586 /nfs/dbraw/zinc/17/65/86/1405176586.db2.gz PHDXMFFRJFGDFJ-VXGBXAGGSA-N 2 2 345.274 2.488 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001699276352 1405309938 /nfs/dbraw/zinc/30/99/38/1405309938.db2.gz JDVAKELWUIQACM-ZMUQKWFASA-N 2 2 338.455 2.216 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001699279238 1405310882 /nfs/dbraw/zinc/31/08/82/1405310882.db2.gz WQSIZJPMBRCFME-MJSXRHKHSA-N 2 2 330.476 2.144 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699316283 1405331594 /nfs/dbraw/zinc/33/15/94/1405331594.db2.gz YLCHZEAOMFPBES-JFDDCEBESA-N 2 2 334.464 2.010 10 0 EEAELP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001699517239 1405368708 /nfs/dbraw/zinc/36/87/08/1405368708.db2.gz MJWXZQYBDYGVGA-GFCCVEGCSA-N 2 2 345.274 2.203 10 0 EEAELP CC(C)c1cccc(C[NH2+]CCCN(C)C(=O)Cn2cc[nH+]c2)n1 ZINC001699555418 1405395556 /nfs/dbraw/zinc/39/55/56/1405395556.db2.gz FYEPSICXMSVSEE-UHFFFAOYSA-N 2 2 329.448 2.040 10 0 EEAELP COCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699941882 1405590340 /nfs/dbraw/zinc/59/03/40/1405590340.db2.gz RUROWIUGOLASQA-LSDHHAIUSA-N 2 2 344.459 2.430 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001699986860 1405635712 /nfs/dbraw/zinc/63/57/12/1405635712.db2.gz AXKATLTWNIYAHA-FPXTWJHWSA-N 2 2 330.476 2.479 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@H]2C1 ZINC001699986860 1405635720 /nfs/dbraw/zinc/63/57/20/1405635720.db2.gz AXKATLTWNIYAHA-FPXTWJHWSA-N 2 2 330.476 2.479 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001699986860 1405635728 /nfs/dbraw/zinc/63/57/28/1405635728.db2.gz AXKATLTWNIYAHA-FPXTWJHWSA-N 2 2 330.476 2.479 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001699986860 1405635736 /nfs/dbraw/zinc/63/57/36/1405635736.db2.gz AXKATLTWNIYAHA-FPXTWJHWSA-N 2 2 330.476 2.479 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000445033263 769507362 /nfs/dbraw/zinc/50/73/62/769507362.db2.gz PIZKMXOMMLROCG-QGZVFWFLSA-N 2 2 347.507 2.431 10 0 EEAELP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000237974138 774485833 /nfs/dbraw/zinc/48/58/33/774485833.db2.gz RVOFLIUBUCKVBP-XIRDDKMYSA-N 2 2 333.501 2.313 10 0 EEAELP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925834516 778966086 /nfs/dbraw/zinc/96/60/86/778966086.db2.gz INEIDMAYHKIYPY-BXUZGUMPSA-N 2 2 326.366 2.487 10 0 EEAELP Cc1ccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c(N(C)C)[nH+]1 ZINC000822085980 787026433 /nfs/dbraw/zinc/02/64/33/787026433.db2.gz PASUVFPFABBUDM-OAHLLOKOSA-N 2 2 349.479 2.031 10 0 EEAELP Cc1cnccc1/C=C/C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266962 787645024 /nfs/dbraw/zinc/64/50/24/787645024.db2.gz KVBUKHYXQCUNER-VZSQWMKGSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cnccc1/C=C/C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266962 787645032 /nfs/dbraw/zinc/64/50/32/787645032.db2.gz KVBUKHYXQCUNER-VZSQWMKGSA-N 2 2 342.487 2.030 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000355264396 788163412 /nfs/dbraw/zinc/16/34/12/788163412.db2.gz VIJLBVGPDWDHAA-KLAILNCOSA-N 2 2 345.491 2.326 10 0 EEAELP CC(C)(CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000912615074 788270603 /nfs/dbraw/zinc/27/06/03/788270603.db2.gz UXWGJTPBBCQAAA-KRWDZBQOSA-N 2 2 326.444 2.257 10 0 EEAELP CC(C)(CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)n1cc[nH+]c1 ZINC000912615074 788270609 /nfs/dbraw/zinc/27/06/09/788270609.db2.gz UXWGJTPBBCQAAA-KRWDZBQOSA-N 2 2 326.444 2.257 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)N2CC[C@H](C)Sc3ccccc32)C[C@H]1C[NH3+] ZINC000923513222 789715125 /nfs/dbraw/zinc/71/51/25/789715125.db2.gz IMRGGKVGNYOAOR-QLFBSQMISA-N 2 2 333.501 2.431 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)N2CC[C@H](C)Sc3ccccc32)C[C@H]1C[NH3+] ZINC000923513222 789715130 /nfs/dbraw/zinc/71/51/30/789715130.db2.gz IMRGGKVGNYOAOR-QLFBSQMISA-N 2 2 333.501 2.431 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@@](C)(O)c2ccccc2)CC1 ZINC000846038809 790033911 /nfs/dbraw/zinc/03/39/11/790033911.db2.gz QLHIBKFSUANPJW-OXJNMPFZSA-N 2 2 348.487 2.290 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)/C=C\Cl)CC2)CC1 ZINC000915501074 796288394 /nfs/dbraw/zinc/28/83/94/796288394.db2.gz YNZFNUQMJSGYHM-HJWRWDBZSA-N 2 2 342.915 2.375 10 0 EEAELP COC(OC)[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000922314115 800484496 /nfs/dbraw/zinc/48/44/96/800484496.db2.gz UXDICPSDXIKCAV-SNVBAGLBSA-N 2 2 346.374 2.167 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)CC2)cc1 ZINC000922726270 801742873 /nfs/dbraw/zinc/74/28/73/801742873.db2.gz SCAAJQZGWUWMRC-YSGRDPCXSA-N 2 2 345.487 2.115 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCOCC1 ZINC000922743932 801811996 /nfs/dbraw/zinc/81/19/96/801811996.db2.gz AAWPMISUZUYPMM-MJGOQNOKSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCOCC1 ZINC000922743932 801812006 /nfs/dbraw/zinc/81/20/06/801812006.db2.gz AAWPMISUZUYPMM-MJGOQNOKSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@@H]1C[NH+](C)C[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000922743932 801812011 /nfs/dbraw/zinc/81/20/11/801812011.db2.gz AAWPMISUZUYPMM-MJGOQNOKSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@@H]1C[NH+](C)C[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000922743932 801812018 /nfs/dbraw/zinc/81/20/18/801812018.db2.gz AAWPMISUZUYPMM-MJGOQNOKSA-N 2 2 331.504 2.207 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C34CC(C(F)(F)F)(C3)C4)C2)CC1 ZINC000786958804 806947549 /nfs/dbraw/zinc/94/75/49/806947549.db2.gz NEDRTHYICNNDIV-JQRITLKVSA-N 2 2 345.409 2.004 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C34CC(C(F)(F)F)(C3)C4)C2)CC1 ZINC000786958804 806947554 /nfs/dbraw/zinc/94/75/54/806947554.db2.gz NEDRTHYICNNDIV-JQRITLKVSA-N 2 2 345.409 2.004 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@H]1CC[NH2+]CC1CC1 ZINC001565941138 1125467018 /nfs/dbraw/zinc/46/70/18/1125467018.db2.gz ISUNOVXWNCTCSX-YJBOKZPZSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)sn1 ZINC001437403029 1089675150 /nfs/dbraw/zinc/67/51/50/1089675150.db2.gz RAGWSFLUMAXXBF-VXGBXAGGSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)sn1 ZINC001437403029 1089675155 /nfs/dbraw/zinc/67/51/55/1089675155.db2.gz RAGWSFLUMAXXBF-VXGBXAGGSA-N 2 2 335.477 2.038 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001437714633 1090262002 /nfs/dbraw/zinc/26/20/02/1090262002.db2.gz GCRKZEGYIVJWCG-KRWDZBQOSA-N 2 2 339.439 2.271 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001437714633 1090262005 /nfs/dbraw/zinc/26/20/05/1090262005.db2.gz GCRKZEGYIVJWCG-KRWDZBQOSA-N 2 2 339.439 2.271 10 0 EEAELP Cc1ccc(C[N@H+](CCNC(=O)Cn2cc[nH+]c2)C2CC2)cc1C ZINC001437823404 1090415117 /nfs/dbraw/zinc/41/51/17/1090415117.db2.gz OEXRWKHBSFYHBF-UHFFFAOYSA-N 2 2 326.444 2.281 10 0 EEAELP Cc1ccc(C[N@@H+](CCNC(=O)Cn2cc[nH+]c2)C2CC2)cc1C ZINC001437823404 1090415118 /nfs/dbraw/zinc/41/51/18/1090415118.db2.gz OEXRWKHBSFYHBF-UHFFFAOYSA-N 2 2 326.444 2.281 10 0 EEAELP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001437858648 1090439282 /nfs/dbraw/zinc/43/92/82/1090439282.db2.gz QAMHMILAQSSCHZ-NVXWUHKLSA-N 2 2 332.492 2.318 10 0 EEAELP CO[C@@H](C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001438054468 1090621926 /nfs/dbraw/zinc/62/19/26/1090621926.db2.gz UNYIUJJWIBWZQE-MOPGFXCFSA-N 2 2 345.487 2.049 10 0 EEAELP CO[C@@H](C[NH+]1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1)c1ccccc1 ZINC001438054468 1090621930 /nfs/dbraw/zinc/62/19/30/1090621930.db2.gz UNYIUJJWIBWZQE-MOPGFXCFSA-N 2 2 345.487 2.049 10 0 EEAELP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)C(C)C ZINC001438177621 1090684444 /nfs/dbraw/zinc/68/44/44/1090684444.db2.gz CIWKCLBHYCCWSK-ROUUACIJSA-N 2 2 333.451 2.259 10 0 EEAELP Cc1cc(F)ccc1C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001438177621 1090684447 /nfs/dbraw/zinc/68/44/47/1090684447.db2.gz CIWKCLBHYCCWSK-ROUUACIJSA-N 2 2 333.451 2.259 10 0 EEAELP Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001438177621 1090684449 /nfs/dbraw/zinc/68/44/49/1090684449.db2.gz CIWKCLBHYCCWSK-ROUUACIJSA-N 2 2 333.451 2.259 10 0 EEAELP Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001438177621 1090684452 /nfs/dbraw/zinc/68/44/52/1090684452.db2.gz CIWKCLBHYCCWSK-ROUUACIJSA-N 2 2 333.451 2.259 10 0 EEAELP CC[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@@H](OC)C1CCC1 ZINC001438343569 1090820561 /nfs/dbraw/zinc/82/05/61/1090820561.db2.gz NUIRSQYIWJJHEI-MAUKXSAKSA-N 2 2 344.459 2.476 10 0 EEAELP Cc1conc1C[NH2+]C[C@](C)(NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001438426941 1090923981 /nfs/dbraw/zinc/92/39/81/1090923981.db2.gz YHBMHYASZCORIP-KSSFIOAISA-N 2 2 345.447 2.205 10 0 EEAELP Cc1conc1C[NH2+]C[C@@](C)(NC(=O)C[C@H](C)n1cc[nH+]c1)C1CC1 ZINC001438426939 1090924536 /nfs/dbraw/zinc/92/45/36/1090924536.db2.gz YHBMHYASZCORIP-KBXCAEBGSA-N 2 2 345.447 2.205 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@@H]1C[N@H+](CC2CCC2)CCO1)n1cc[nH+]c1 ZINC001438573486 1091061555 /nfs/dbraw/zinc/06/15/55/1091061555.db2.gz UPZVLRRMEHGRTH-QZTJIDSGSA-N 2 2 348.491 2.087 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)CCO1)n1cc[nH+]c1 ZINC001438573486 1091061558 /nfs/dbraw/zinc/06/15/58/1091061558.db2.gz UPZVLRRMEHGRTH-QZTJIDSGSA-N 2 2 348.491 2.087 10 0 EEAELP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001438598008 1091087052 /nfs/dbraw/zinc/08/70/52/1091087052.db2.gz BPLGKNLPJWAZBI-HUUCEWRRSA-N 2 2 336.455 2.212 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCC1 ZINC001438614902 1091104871 /nfs/dbraw/zinc/10/48/71/1091104871.db2.gz WJTATWQUMXQOLW-IXDOHACOSA-N 2 2 344.503 2.417 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(F)c(Cl)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438716332 1091238097 /nfs/dbraw/zinc/23/80/97/1091238097.db2.gz SVHKQYSMDZADLU-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP CN(CC[N@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)CCc1c[nH+]cn1C ZINC001438930392 1091610982 /nfs/dbraw/zinc/61/09/82/1091610982.db2.gz FQXSYNOVXWQWMT-CQSZACIVSA-N 2 2 342.434 2.178 10 0 EEAELP CN(CC[N@@H+](C)C[C@@H]1CCC(F)(F)C1)C(=O)CCc1c[nH+]cn1C ZINC001438930392 1091610985 /nfs/dbraw/zinc/61/09/85/1091610985.db2.gz FQXSYNOVXWQWMT-CQSZACIVSA-N 2 2 342.434 2.178 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccns1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001445813530 1091688117 /nfs/dbraw/zinc/68/81/17/1091688117.db2.gz MTGGKBAWXNCAGZ-GJZGRUSLSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccns1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001445813530 1091688121 /nfs/dbraw/zinc/68/81/21/1091688121.db2.gz MTGGKBAWXNCAGZ-GJZGRUSLSA-N 2 2 338.521 2.344 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cs1 ZINC001439130660 1091775579 /nfs/dbraw/zinc/77/55/79/1091775579.db2.gz PNOXSGFMGNFNEI-IUODEOHRSA-N 2 2 332.473 2.110 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C[NH2+]Cc2ccns2)C2CC2)c[nH+]1 ZINC001445951236 1091894060 /nfs/dbraw/zinc/89/40/60/1091894060.db2.gz IZZXYQNGMUPLNT-HNNXBMFYSA-N 2 2 347.488 2.068 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H](C[NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001445988676 1091958647 /nfs/dbraw/zinc/95/86/47/1091958647.db2.gz OBAXZYXDQNXNBG-QGZVFWFLSA-N 2 2 348.397 2.154 10 0 EEAELP CCO[C@H](C[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001439349163 1092057901 /nfs/dbraw/zinc/05/79/01/1092057901.db2.gz OJHQWNUHIKYRMQ-WMLDXEAASA-N 2 2 344.459 2.200 10 0 EEAELP CCO[C@H](C[N@@H+](C)C[C@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001439349163 1092057910 /nfs/dbraw/zinc/05/79/10/1092057910.db2.gz OJHQWNUHIKYRMQ-WMLDXEAASA-N 2 2 344.459 2.200 10 0 EEAELP Cc1conc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001446173833 1092235196 /nfs/dbraw/zinc/23/51/96/1092235196.db2.gz BQPXWSIXUPAPDD-KRWDZBQOSA-N 2 2 346.475 2.128 10 0 EEAELP Cc1conc1C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001446173833 1092235203 /nfs/dbraw/zinc/23/52/03/1092235203.db2.gz BQPXWSIXUPAPDD-KRWDZBQOSA-N 2 2 346.475 2.128 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC001446180076 1092247431 /nfs/dbraw/zinc/24/74/31/1092247431.db2.gz CWNZQUZDDQQTKF-KRWDZBQOSA-N 2 2 342.418 2.407 10 0 EEAELP CC(C)C[C@@H](C(=O)NCC1([NH2+]Cc2ccns2)CC1)n1cc[nH+]c1 ZINC001439618522 1092528817 /nfs/dbraw/zinc/52/88/17/1092528817.db2.gz LJTGCOMRRJULMM-HNNXBMFYSA-N 2 2 347.488 2.365 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC1([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC001439673709 1092614658 /nfs/dbraw/zinc/61/46/58/1092614658.db2.gz WNRRSQNDJRFOAI-LBPRGKRZSA-N 2 2 348.397 2.469 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001448512502 1093538704 /nfs/dbraw/zinc/53/87/04/1093538704.db2.gz WAVFRDRGBOKCSO-SHTZXODSSA-N 2 2 348.397 2.236 10 0 EEAELP CCc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001440827078 1094080330 /nfs/dbraw/zinc/08/03/30/1094080330.db2.gz BRJWMDMMEUIXTD-GJZGRUSLSA-N 2 2 328.460 2.208 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001440839835 1094094432 /nfs/dbraw/zinc/09/44/32/1094094432.db2.gz YEDYLABNJVQHQA-GJZGRUSLSA-N 2 2 332.423 2.404 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001440946211 1094198509 /nfs/dbraw/zinc/19/85/09/1094198509.db2.gz UFRFLIABQVGIDQ-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001440946211 1094198512 /nfs/dbraw/zinc/19/85/12/1094198512.db2.gz UFRFLIABQVGIDQ-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP Cc1ncsc1C[NH+]1CCC([C@@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001449353228 1094313273 /nfs/dbraw/zinc/31/32/73/1094313273.db2.gz QRVGJJHKXGZRND-GFCCVEGCSA-N 2 2 347.488 2.134 10 0 EEAELP C[C@H](CC(=O)N(C)C1CC([NH2+]CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001449386647 1094360759 /nfs/dbraw/zinc/36/07/59/1094360759.db2.gz OMXLVYHTOFJTGU-PNESKVBLSA-N 2 2 332.370 2.366 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)s1 ZINC001441229227 1094605811 /nfs/dbraw/zinc/60/58/11/1094605811.db2.gz APTCCPJILZPYEM-LRDDRELGSA-N 2 2 347.488 2.284 10 0 EEAELP CO[C@@H](C[N@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C1CCC1 ZINC001441386185 1094935201 /nfs/dbraw/zinc/93/52/01/1094935201.db2.gz XDBWXQJYPOOGRO-SFHVURJKSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@@H](C[N@@H+](C)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1)C1CCC1 ZINC001441386185 1094935212 /nfs/dbraw/zinc/93/52/12/1094935212.db2.gz XDBWXQJYPOOGRO-SFHVURJKSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@@H](C[N@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C1CCC1 ZINC001441386185 1094935218 /nfs/dbraw/zinc/93/52/18/1094935218.db2.gz XDBWXQJYPOOGRO-SFHVURJKSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@@H](C[N@@H+](C)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1)C1CCC1 ZINC001441386185 1094935233 /nfs/dbraw/zinc/93/52/33/1094935233.db2.gz XDBWXQJYPOOGRO-SFHVURJKSA-N 2 2 348.491 2.080 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC001441540738 1095258930 /nfs/dbraw/zinc/25/89/30/1095258930.db2.gz QJUQVBWXFMJZRA-NVXWUHKLSA-N 2 2 349.475 2.028 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001441613737 1095476588 /nfs/dbraw/zinc/47/65/88/1095476588.db2.gz UWSLRMLEWMDTQG-CHWSQXEVSA-N 2 2 333.436 2.076 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C\Cl)C2 ZINC001441952411 1096154195 /nfs/dbraw/zinc/15/41/95/1096154195.db2.gz PHSITJNHDPCQEM-KCWYQUPHSA-N 2 2 345.274 2.167 10 0 EEAELP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001442197175 1096475477 /nfs/dbraw/zinc/47/54/77/1096475477.db2.gz XFENMZNVVPIKIQ-QGZVFWFLSA-N 2 2 332.492 2.485 10 0 EEAELP CCCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001442197175 1096475483 /nfs/dbraw/zinc/47/54/83/1096475483.db2.gz XFENMZNVVPIKIQ-QGZVFWFLSA-N 2 2 332.492 2.485 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001442852408 1097245798 /nfs/dbraw/zinc/24/57/98/1097245798.db2.gz WTIQETARFGJACD-MRXNPFEDSA-N 2 2 330.407 2.111 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001442852408 1097245803 /nfs/dbraw/zinc/24/58/03/1097245803.db2.gz WTIQETARFGJACD-MRXNPFEDSA-N 2 2 330.407 2.111 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001442890976 1097288865 /nfs/dbraw/zinc/28/88/65/1097288865.db2.gz HWVBEFNBLZWUDD-KGLIPLIRSA-N 2 2 340.418 2.318 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001442890976 1097288870 /nfs/dbraw/zinc/28/88/70/1097288870.db2.gz HWVBEFNBLZWUDD-KGLIPLIRSA-N 2 2 340.418 2.318 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442909698 1097315377 /nfs/dbraw/zinc/31/53/77/1097315377.db2.gz RWCGYXVILFWWIN-CABCVRRESA-N 2 2 330.407 2.222 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442909698 1097315384 /nfs/dbraw/zinc/31/53/84/1097315384.db2.gz RWCGYXVILFWWIN-CABCVRRESA-N 2 2 330.407 2.222 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001443613166 1098109953 /nfs/dbraw/zinc/10/99/53/1098109953.db2.gz DUVNOICDSGLFIN-AUUYWEPGSA-N 2 2 338.455 2.324 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001443613166 1098109955 /nfs/dbraw/zinc/10/99/55/1098109955.db2.gz DUVNOICDSGLFIN-AUUYWEPGSA-N 2 2 338.455 2.324 10 0 EEAELP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443829740 1098334401 /nfs/dbraw/zinc/33/44/01/1098334401.db2.gz YQVDYYTVHUQGPX-DLBZAZTESA-N 2 2 341.459 2.271 10 0 EEAELP Cc1cccnc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443829740 1098334407 /nfs/dbraw/zinc/33/44/07/1098334407.db2.gz YQVDYYTVHUQGPX-DLBZAZTESA-N 2 2 341.459 2.271 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001443839021 1098352430 /nfs/dbraw/zinc/35/24/30/1098352430.db2.gz GHKKLMCSFLBOSV-MRXNPFEDSA-N 2 2 332.473 2.458 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001443839021 1098352436 /nfs/dbraw/zinc/35/24/36/1098352436.db2.gz GHKKLMCSFLBOSV-MRXNPFEDSA-N 2 2 332.473 2.458 10 0 EEAELP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1oc(C(C)C)nc1C ZINC001443998680 1098512838 /nfs/dbraw/zinc/51/28/38/1098512838.db2.gz AUUMDFNEQQVZNF-ZDUSSCGKSA-N 2 2 333.436 2.057 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]Cc2nccs2)C1 ZINC001479493157 1098563552 /nfs/dbraw/zinc/56/35/52/1098563552.db2.gz DBQGRWAPRVOEGV-LSDHHAIUSA-N 2 2 347.488 2.195 10 0 EEAELP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001479571614 1098614644 /nfs/dbraw/zinc/61/46/44/1098614644.db2.gz CDTXNPAQPUEDSN-YYIAUSFCSA-N 2 2 332.492 2.396 10 0 EEAELP Cc1conc1C[NH2+]CC1(NC(=O)CCCn2cc[nH+]c2)CCCC1 ZINC001444087379 1098616577 /nfs/dbraw/zinc/61/65/77/1098616577.db2.gz HKKGAWXETHFRJW-UHFFFAOYSA-N 2 2 345.447 2.179 10 0 EEAELP CCC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001479624519 1098647980 /nfs/dbraw/zinc/64/79/80/1098647980.db2.gz ADXXCYCTFFIQBF-KGLIPLIRSA-N 2 2 346.397 2.300 10 0 EEAELP C[C@@](C[NH2+]CC1CC2(CCC2)C1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001444179118 1098732273 /nfs/dbraw/zinc/73/22/73/1098732273.db2.gz XJUASYRKZCFFNP-SFHVURJKSA-N 2 2 330.476 2.338 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1ccncc1Cl ZINC001444329745 1098892564 /nfs/dbraw/zinc/89/25/64/1098892564.db2.gz PQIMUJRTVPNKEZ-IACUBPJLSA-N 2 2 347.850 2.104 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]Cc1ccncc1Cl ZINC001444329745 1098892577 /nfs/dbraw/zinc/89/25/77/1098892577.db2.gz PQIMUJRTVPNKEZ-IACUBPJLSA-N 2 2 347.850 2.104 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCCC2)C1 ZINC001444502124 1099232595 /nfs/dbraw/zinc/23/25/95/1099232595.db2.gz UKIYSOAOPKTZNV-INIZCTEOSA-N 2 2 348.491 2.176 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCCC2)C1 ZINC001444502124 1099232603 /nfs/dbraw/zinc/23/26/03/1099232603.db2.gz UKIYSOAOPKTZNV-INIZCTEOSA-N 2 2 348.491 2.176 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480189714 1099787462 /nfs/dbraw/zinc/78/74/62/1099787462.db2.gz RAAWCEFMMQQQGU-AEFFLSMTSA-N 2 2 348.491 2.000 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001480189714 1099787469 /nfs/dbraw/zinc/78/74/69/1099787469.db2.gz RAAWCEFMMQQQGU-AEFFLSMTSA-N 2 2 348.491 2.000 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001480287035 1099997205 /nfs/dbraw/zinc/99/72/05/1099997205.db2.gz BSFPEYPFGPJUES-SJORKVTESA-N 2 2 330.476 2.240 10 0 EEAELP Cc1cnc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)s1 ZINC001480331255 1100088522 /nfs/dbraw/zinc/08/85/22/1100088522.db2.gz LEZIACSMFKUFFW-OAHLLOKOSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)s1 ZINC001480331255 1100088530 /nfs/dbraw/zinc/08/85/30/1100088530.db2.gz LEZIACSMFKUFFW-OAHLLOKOSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)s1 ZINC001480331255 1100088548 /nfs/dbraw/zinc/08/85/48/1100088548.db2.gz LEZIACSMFKUFFW-OAHLLOKOSA-N 2 2 338.521 2.262 10 0 EEAELP C[C@@H](C[NH2+]CC/C=C/c1ccccc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496241303 1100809872 /nfs/dbraw/zinc/80/98/72/1100809872.db2.gz BBRKMSDFRMXPNA-BHMZLHOFSA-N 2 2 326.444 2.423 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)no1 ZINC001496247952 1100817065 /nfs/dbraw/zinc/81/70/65/1100817065.db2.gz IZLFUOBPHYKJMR-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001495361553 1101077143 /nfs/dbraw/zinc/07/71/43/1101077143.db2.gz ZCQXWEHJODKHPN-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)(C(=O)N1CCC(CC[NH2+]Cc2ccon2)CC1)c1c[nH+]c[nH]1 ZINC001495432956 1101150908 /nfs/dbraw/zinc/15/09/08/1101150908.db2.gz QOYOQUZWWICAGH-UHFFFAOYSA-N 2 2 345.447 2.094 10 0 EEAELP CC[C@@H](F)C[NH2+][C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)C ZINC001496569555 1101169692 /nfs/dbraw/zinc/16/96/92/1101169692.db2.gz IBCPZSRZYIIXDS-CABCVRRESA-N 2 2 326.460 2.405 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CC1=CCCCC1 ZINC001495697836 1101452555 /nfs/dbraw/zinc/45/25/55/1101452555.db2.gz XEYOVUVYOZGUDD-RDJZCZTQSA-N 2 2 330.476 2.288 10 0 EEAELP CC1CCC(C[NH2+]C[C@H](O)CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001497002477 1101815656 /nfs/dbraw/zinc/81/56/56/1101815656.db2.gz PBXOPYRKWCGUCK-XUJLQICISA-N 2 2 344.459 2.070 10 0 EEAELP Cc1nc(C[NH+]2CC3(C2)CCN(C(=O)C[N@@H+](C)C(C)C)CC3)oc1C ZINC001495981425 1101891890 /nfs/dbraw/zinc/89/18/90/1101891890.db2.gz WEWYCQKSTJHQEA-UHFFFAOYSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1nc(C[NH+]2CC3(C2)CCN(C(=O)C[N@H+](C)C(C)C)CC3)oc1C ZINC001495981425 1101891907 /nfs/dbraw/zinc/89/19/07/1101891907.db2.gz WEWYCQKSTJHQEA-UHFFFAOYSA-N 2 2 348.491 2.056 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001495987961 1101901827 /nfs/dbraw/zinc/90/18/27/1101901827.db2.gz ZJYZVQNSTHWYTB-PLNGDYQASA-N 2 2 330.476 2.243 10 0 EEAELP Cc1ccncc1C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001497283320 1102250644 /nfs/dbraw/zinc/25/06/44/1102250644.db2.gz NEPKYMZFQFKYNZ-CVEARBPZSA-N 2 2 329.448 2.222 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001497287078 1102257094 /nfs/dbraw/zinc/25/70/94/1102257094.db2.gz TYIYELDZFYVQEN-VXGBXAGGSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001497287078 1102257103 /nfs/dbraw/zinc/25/71/03/1102257103.db2.gz TYIYELDZFYVQEN-VXGBXAGGSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc2cncc(C)c2)c[nH+]1 ZINC001447648820 1103047796 /nfs/dbraw/zinc/04/77/96/1103047796.db2.gz JTJWSKCBXNSLBC-HNNXBMFYSA-N 2 2 343.475 2.315 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001493954846 1103186258 /nfs/dbraw/zinc/18/62/58/1103186258.db2.gz DDBFEQLMHGLMCP-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP CCCN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001493954846 1103186271 /nfs/dbraw/zinc/18/62/71/1103186271.db2.gz DDBFEQLMHGLMCP-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001447810444 1103373450 /nfs/dbraw/zinc/37/34/50/1103373450.db2.gz JICBOOFHLQHXIN-BHUNQDJPSA-N 2 2 332.492 2.444 10 0 EEAELP Cc1csc(C[NH2+]CC2CC(NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)n1 ZINC001447817939 1103380830 /nfs/dbraw/zinc/38/08/30/1103380830.db2.gz NQIJHBXHVYNMQV-LMWSTFAQSA-N 2 2 347.488 2.038 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCc2ccc(Cl)cc21)NC(=O)Cc1c[nH+]cn1C ZINC001497963548 1103424422 /nfs/dbraw/zinc/42/44/22/1103424422.db2.gz YHGSAQVCJXTUQN-PXAZEXFGSA-N 2 2 346.862 2.398 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001448041275 1103873916 /nfs/dbraw/zinc/87/39/16/1103873916.db2.gz DICOLCAMCZLFSO-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001448041275 1103873922 /nfs/dbraw/zinc/87/39/22/1103873922.db2.gz DICOLCAMCZLFSO-GOEBONIOSA-N 2 2 332.492 2.318 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCOc2ccccc2)C1 ZINC001494385037 1103971457 /nfs/dbraw/zinc/97/14/57/1103971457.db2.gz QSNZPAXXYUSISP-LJQANCHMSA-N 2 2 345.487 2.129 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCOc2ccccc2)C1 ZINC001494385037 1103971462 /nfs/dbraw/zinc/97/14/62/1103971462.db2.gz QSNZPAXXYUSISP-LJQANCHMSA-N 2 2 345.487 2.129 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](CCc2ccc(C)cc2)C1 ZINC001494926443 1104569869 /nfs/dbraw/zinc/56/98/69/1104569869.db2.gz UPFODFBRHBJAAT-LJQANCHMSA-N 2 2 340.471 2.357 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC001494926443 1104569871 /nfs/dbraw/zinc/56/98/71/1104569871.db2.gz UPFODFBRHBJAAT-LJQANCHMSA-N 2 2 340.471 2.357 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC(C)(C)C1 ZINC001495011221 1104653993 /nfs/dbraw/zinc/65/39/93/1104653993.db2.gz HMZBZIFJLDCSTE-HOTGVXAUSA-N 2 2 332.492 2.366 10 0 EEAELP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001495066198 1104704420 /nfs/dbraw/zinc/70/44/20/1104704420.db2.gz UGOOQBWHHVVZMZ-ZFWWWQNUSA-N 2 2 330.432 2.206 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/Cl)C1 ZINC001480694818 1106900404 /nfs/dbraw/zinc/90/04/04/1106900404.db2.gz IROQNNABIBVRQJ-OHSAMQRYSA-N 2 2 337.851 2.402 10 0 EEAELP O=C(NCC[N@H+](Cc1cncs1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001493380267 1108031738 /nfs/dbraw/zinc/03/17/38/1108031738.db2.gz DVJRFKAXLIIYKE-UHFFFAOYSA-N 2 2 348.516 2.100 10 0 EEAELP O=C(NCC[N@@H+](Cc1cncs1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001493380267 1108031751 /nfs/dbraw/zinc/03/17/51/1108031751.db2.gz DVJRFKAXLIIYKE-UHFFFAOYSA-N 2 2 348.516 2.100 10 0 EEAELP CCCc1ccc(C[NH2+]CCN(C)C(=O)Cc2c[nH+]cn2C)cc1 ZINC001493763442 1108639363 /nfs/dbraw/zinc/63/93/63/1108639363.db2.gz LUOGEBUQUCIYSO-UHFFFAOYSA-N 2 2 328.460 2.163 10 0 EEAELP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001479322446 1110681350 /nfs/dbraw/zinc/68/13/50/1110681350.db2.gz OWJXEEHYFQEYQJ-XLMAVXFVSA-N 2 2 348.491 2.032 10 0 EEAELP COC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001499496308 1112322538 /nfs/dbraw/zinc/32/25/38/1112322538.db2.gz ZFNFPLCFFOOSBK-WZYMTQMTSA-N 2 2 348.491 2.224 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C)CC[NH+](Cc2ccon2)CC1 ZINC001499985309 1112566255 /nfs/dbraw/zinc/56/62/55/1112566255.db2.gz OIGBMLLBZSMQFE-INIZCTEOSA-N 2 2 334.464 2.020 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)NC1(C)CC[NH+](Cc2ccon2)CC1 ZINC001499985309 1112566257 /nfs/dbraw/zinc/56/62/57/1112566257.db2.gz OIGBMLLBZSMQFE-INIZCTEOSA-N 2 2 334.464 2.020 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1ccsc1)C1CCCC1 ZINC001500130140 1112630521 /nfs/dbraw/zinc/63/05/21/1112630521.db2.gz AXWSKXNHVXVJTE-INIZCTEOSA-N 2 2 332.473 2.409 10 0 EEAELP CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1CC ZINC001501022324 1113170980 /nfs/dbraw/zinc/17/09/80/1113170980.db2.gz OESBNCGPFJGBOM-SJLPKXTDSA-N 2 2 340.471 2.475 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2)C1 ZINC001501597770 1113394858 /nfs/dbraw/zinc/39/48/58/1113394858.db2.gz UMNMQZSFDJQYRE-GOSISDBHSA-N 2 2 340.471 2.381 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[NH+](CCCOC(C)C)CC2 ZINC001501746787 1113460234 /nfs/dbraw/zinc/46/02/34/1113460234.db2.gz RIPMRGJJWDOBRM-UHFFFAOYSA-N 2 2 348.491 2.000 10 0 EEAELP CC(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001501831883 1113488248 /nfs/dbraw/zinc/48/82/48/1113488248.db2.gz RPSIKZJVVGCAKY-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001501831883 1113488249 /nfs/dbraw/zinc/48/82/49/1113488249.db2.gz RPSIKZJVVGCAKY-QZTJIDSGSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCc1cccs1 ZINC001505948699 1114295909 /nfs/dbraw/zinc/29/59/09/1114295909.db2.gz TWIVRABERNSWMU-HUUCEWRRSA-N 2 2 346.500 2.186 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCc1cccs1 ZINC001505948699 1114295910 /nfs/dbraw/zinc/29/59/10/1114295910.db2.gz TWIVRABERNSWMU-HUUCEWRRSA-N 2 2 346.500 2.186 10 0 EEAELP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001506499487 1114652799 /nfs/dbraw/zinc/65/27/99/1114652799.db2.gz JDBIMXXSOXZRHB-KRWDZBQOSA-N 2 2 339.524 2.306 10 0 EEAELP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001506499487 1114652802 /nfs/dbraw/zinc/65/28/02/1114652802.db2.gz JDBIMXXSOXZRHB-KRWDZBQOSA-N 2 2 339.524 2.306 10 0 EEAELP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCOCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001506747934 1114861035 /nfs/dbraw/zinc/86/10/35/1114861035.db2.gz PVULWRKRPQGATK-DOTOQJQBSA-N 2 2 348.491 2.087 10 0 EEAELP C[C@@H](CC(=O)N[C@@H]1C[N@@H+](CCOCC2CC2)CC1(C)C)n1cc[nH+]c1 ZINC001506747934 1114861038 /nfs/dbraw/zinc/86/10/38/1114861038.db2.gz PVULWRKRPQGATK-DOTOQJQBSA-N 2 2 348.491 2.087 10 0 EEAELP Cc1ccccc1[C@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001506828970 1114899082 /nfs/dbraw/zinc/89/90/82/1114899082.db2.gz KCQSMBKUKWLCDE-DSLXNQLJSA-N 2 2 338.455 2.247 10 0 EEAELP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3)[C@@H]2C1 ZINC001506828970 1114899083 /nfs/dbraw/zinc/89/90/83/1114899083.db2.gz KCQSMBKUKWLCDE-DSLXNQLJSA-N 2 2 338.455 2.247 10 0 EEAELP CC1(C)CCC(C[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001506829624 1114899696 /nfs/dbraw/zinc/89/96/96/1114899696.db2.gz MNXCAHHSNAOSCU-NNZMDNLPSA-N 2 2 344.503 2.394 10 0 EEAELP CC1(C)CCC(C[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cn4cc[nH+]c4)[C@@H]3C2)CC1 ZINC001506829624 1114899697 /nfs/dbraw/zinc/89/96/97/1114899697.db2.gz MNXCAHHSNAOSCU-NNZMDNLPSA-N 2 2 344.503 2.394 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001507090820 1115102786 /nfs/dbraw/zinc/10/27/86/1115102786.db2.gz FYNIPGSEVSUNHL-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CCC(F)(F)F ZINC001568179960 1124342854 /nfs/dbraw/zinc/34/28/54/1124342854.db2.gz IFELHNLGAXGLOD-SNVBAGLBSA-N 2 2 328.338 2.471 10 0 EEAELP CCCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001569117856 1125108345 /nfs/dbraw/zinc/10/83/45/1125108345.db2.gz JUCQKDJTTFVGBH-PBHICJAKSA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001569117856 1125108348 /nfs/dbraw/zinc/10/83/48/1125108348.db2.gz JUCQKDJTTFVGBH-PBHICJAKSA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001569117856 1125108353 /nfs/dbraw/zinc/10/83/53/1125108353.db2.gz JUCQKDJTTFVGBH-PBHICJAKSA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[NH+](C)C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001569117856 1125108357 /nfs/dbraw/zinc/10/83/57/1125108357.db2.gz JUCQKDJTTFVGBH-PBHICJAKSA-N 2 2 335.496 2.417 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001565871771 1125446051 /nfs/dbraw/zinc/44/60/51/1125446051.db2.gz SEGAHLRFPFJYLP-ZHALLVOQSA-N 2 2 349.519 2.080 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001565871771 1125446058 /nfs/dbraw/zinc/44/60/58/1125446058.db2.gz SEGAHLRFPFJYLP-ZHALLVOQSA-N 2 2 349.519 2.080 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050031667 214040087 /nfs/dbraw/zinc/04/00/87/214040087.db2.gz ZUCNFKNWVRVXHD-SFHVURJKSA-N 2 2 338.455 2.428 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000050031667 214040089 /nfs/dbraw/zinc/04/00/89/214040089.db2.gz ZUCNFKNWVRVXHD-SFHVURJKSA-N 2 2 338.455 2.428 10 0 EEAELP Brc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422939179 240298224 /nfs/dbraw/zinc/29/82/24/240298224.db2.gz QWCIGAAOZODSQD-GJZGRUSLSA-N 2 2 325.250 2.306 10 0 EEAELP c1cnc2c(c1)cccc2OCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422952604 240305771 /nfs/dbraw/zinc/30/57/71/240305771.db2.gz BNFAMFGPHBDMDC-QUCCMNQESA-N 2 2 341.455 2.360 10 0 EEAELP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422879358 240270444 /nfs/dbraw/zinc/27/04/44/240270444.db2.gz KHNHKVALXUNXQI-CBZIJGRNSA-N 2 2 332.492 2.315 10 0 EEAELP CC[C@H]([NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422885086 240273607 /nfs/dbraw/zinc/27/36/07/240273607.db2.gz UAKXFPHYEJRUQN-LAQRGFTBSA-N 2 2 332.492 2.315 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055221 247059288 /nfs/dbraw/zinc/05/92/88/247059288.db2.gz ZRWVZBQURIOSDU-MAUKXSAKSA-N 2 2 333.476 2.150 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000495055221 247059292 /nfs/dbraw/zinc/05/92/92/247059292.db2.gz ZRWVZBQURIOSDU-MAUKXSAKSA-N 2 2 333.476 2.150 10 0 EEAELP C[NH+](C)CCn1ccc2cc(NC(=O)NCCn3cc[nH+]c3)ccc21 ZINC000095399553 218332634 /nfs/dbraw/zinc/33/26/34/218332634.db2.gz FVWXZCBQHLIVTE-UHFFFAOYSA-N 2 2 340.431 2.221 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191097072 152238834 /nfs/dbraw/zinc/23/88/34/152238834.db2.gz RSFHHFYFVIDXSR-QAPCUYQASA-N 2 2 342.491 2.428 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000191097072 152238836 /nfs/dbraw/zinc/23/88/36/152238836.db2.gz RSFHHFYFVIDXSR-QAPCUYQASA-N 2 2 342.491 2.428 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000356011173 153242989 /nfs/dbraw/zinc/24/29/89/153242989.db2.gz LWVDOYLCTCRWNT-KRWDZBQOSA-N 2 2 348.397 2.176 10 0 EEAELP CC[NH+]1CCC([N@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)CC1 ZINC000077249276 159098395 /nfs/dbraw/zinc/09/83/95/159098395.db2.gz LWIWXEBKTUDRSK-UHFFFAOYSA-N 2 2 337.430 2.449 10 0 EEAELP CC[NH+]1CCC([N@@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F)CC1 ZINC000077249276 159098396 /nfs/dbraw/zinc/09/83/96/159098396.db2.gz LWIWXEBKTUDRSK-UHFFFAOYSA-N 2 2 337.430 2.449 10 0 EEAELP CC[N@H+](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000101982689 159260470 /nfs/dbraw/zinc/26/04/70/159260470.db2.gz WYMYDYDFRBFVSE-UHFFFAOYSA-N 2 2 341.459 2.215 10 0 EEAELP CC[N@@H+](CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CC1 ZINC000101982689 159260474 /nfs/dbraw/zinc/26/04/74/159260474.db2.gz WYMYDYDFRBFVSE-UHFFFAOYSA-N 2 2 341.459 2.215 10 0 EEAELP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000192118922 160167326 /nfs/dbraw/zinc/16/73/26/160167326.db2.gz LYXYFJLKTCDTRZ-IRXDYDNUSA-N 2 2 339.524 2.209 10 0 EEAELP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000192118922 160167328 /nfs/dbraw/zinc/16/73/28/160167328.db2.gz LYXYFJLKTCDTRZ-IRXDYDNUSA-N 2 2 339.524 2.209 10 0 EEAELP O=C(c1ccc(F)cc1)N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000193467522 160181892 /nfs/dbraw/zinc/18/18/92/160181892.db2.gz ZEEXEVOJQSZLAN-UHFFFAOYSA-N 2 2 333.451 2.460 10 0 EEAELP O=C(c1ccc(F)cc1)N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000193467522 160181894 /nfs/dbraw/zinc/18/18/94/160181894.db2.gz ZEEXEVOJQSZLAN-UHFFFAOYSA-N 2 2 333.451 2.460 10 0 EEAELP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246160201 160265123 /nfs/dbraw/zinc/26/51/23/160265123.db2.gz QJMBMAKGCOLWHJ-HZPDHXFCSA-N 2 2 348.472 2.055 10 0 EEAELP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246160201 160265124 /nfs/dbraw/zinc/26/51/24/160265124.db2.gz QJMBMAKGCOLWHJ-HZPDHXFCSA-N 2 2 348.472 2.055 10 0 EEAELP CC[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@@H+]1CCOC ZINC000246158634 160265147 /nfs/dbraw/zinc/26/51/47/160265147.db2.gz LOIMZKMWZPMDDF-IAGOWNOFSA-N 2 2 347.507 2.260 10 0 EEAELP CC[C@@H]1CN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC[N@H+]1CCOC ZINC000246158634 160265148 /nfs/dbraw/zinc/26/51/48/160265148.db2.gz LOIMZKMWZPMDDF-IAGOWNOFSA-N 2 2 347.507 2.260 10 0 EEAELP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccncc2)n1 ZINC000247252745 160317128 /nfs/dbraw/zinc/31/71/28/160317128.db2.gz XGRBLSMDYCUUSD-FUHWJXTLSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccncc2)n1 ZINC000247252745 160317129 /nfs/dbraw/zinc/31/71/29/160317129.db2.gz XGRBLSMDYCUUSD-FUHWJXTLSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccncc2)n1 ZINC000247252745 160317131 /nfs/dbraw/zinc/31/71/31/160317131.db2.gz XGRBLSMDYCUUSD-FUHWJXTLSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccncc2)n1 ZINC000247252745 160317132 /nfs/dbraw/zinc/31/71/32/160317132.db2.gz XGRBLSMDYCUUSD-FUHWJXTLSA-N 2 2 325.460 2.398 10 0 EEAELP CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000342001025 161031054 /nfs/dbraw/zinc/03/10/54/161031054.db2.gz BMHGGJNIESYAIA-WBVHZDCISA-N 2 2 326.444 2.390 10 0 EEAELP CC[N@H+]1CC[C@H](CNC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000342001025 161031055 /nfs/dbraw/zinc/03/10/55/161031055.db2.gz BMHGGJNIESYAIA-WBVHZDCISA-N 2 2 326.444 2.390 10 0 EEAELP O=C(NCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000343157315 161108982 /nfs/dbraw/zinc/10/89/82/161108982.db2.gz ZELZUDHNCJZNEE-UHFFFAOYSA-N 2 2 338.455 2.066 10 0 EEAELP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(c3ccccc3)C2=O)s1 ZINC000352752283 162273250 /nfs/dbraw/zinc/27/32/50/162273250.db2.gz XQHZDDNCQNJZAB-INIZCTEOSA-N 2 2 344.484 2.490 10 0 EEAELP C[N@H+](CCNC(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000354930608 163021716 /nfs/dbraw/zinc/02/17/16/163021716.db2.gz YNIYCZJIJWFSSI-UHFFFAOYSA-N 2 2 329.448 2.398 10 0 EEAELP C[N@@H+](CCNC(=O)NCc1ccn2cc[nH+]c2c1)C1CCCCC1 ZINC000354930608 163021719 /nfs/dbraw/zinc/02/17/19/163021719.db2.gz YNIYCZJIJWFSSI-UHFFFAOYSA-N 2 2 329.448 2.398 10 0 EEAELP CCCN(CC[NH+](C)C)C(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000355239048 163119109 /nfs/dbraw/zinc/11/91/09/163119109.db2.gz ZKFGTFFBPACWAV-UHFFFAOYSA-N 2 2 328.460 2.274 10 0 EEAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368105637 166051665 /nfs/dbraw/zinc/05/16/65/166051665.db2.gz UVXQOFYCHCFMLA-TZMCWYRMSA-N 2 2 328.416 2.283 10 0 EEAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368105637 166051667 /nfs/dbraw/zinc/05/16/67/166051667.db2.gz UVXQOFYCHCFMLA-TZMCWYRMSA-N 2 2 328.416 2.283 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C2 ZINC000364634190 165215838 /nfs/dbraw/zinc/21/58/38/165215838.db2.gz ZOXHTBPPELYTFV-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)C2 ZINC000364634190 165215842 /nfs/dbraw/zinc/21/58/42/165215842.db2.gz ZOXHTBPPELYTFV-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000364634190 165215848 /nfs/dbraw/zinc/21/58/48/165215848.db2.gz ZOXHTBPPELYTFV-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000364634190 165215850 /nfs/dbraw/zinc/21/58/50/165215850.db2.gz ZOXHTBPPELYTFV-CABCVRRESA-N 2 2 332.492 2.486 10 0 EEAELP CCN(C(=O)[C@@H](C)[NH3+])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364852425 165294894 /nfs/dbraw/zinc/29/48/94/165294894.db2.gz ULCFHQHZJUZSPL-CQSZACIVSA-N 2 2 333.480 2.073 10 0 EEAELP CC(C)n1nnnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369650559 166303801 /nfs/dbraw/zinc/30/38/01/166303801.db2.gz WRCJDRYNJQRNAT-WBVHZDCISA-N 2 2 328.464 2.254 10 0 EEAELP CC(C)n1nnnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369650559 166303806 /nfs/dbraw/zinc/30/38/06/166303806.db2.gz WRCJDRYNJQRNAT-WBVHZDCISA-N 2 2 328.464 2.254 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[N@@H+]1C ZINC000123254073 222243437 /nfs/dbraw/zinc/24/34/37/222243437.db2.gz DKALPXMUALORMW-KGLIPLIRSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[N@H+]1C ZINC000123254073 222243439 /nfs/dbraw/zinc/24/34/39/222243439.db2.gz DKALPXMUALORMW-KGLIPLIRSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[NH+]1C ZINC000123254073 222243444 /nfs/dbraw/zinc/24/34/44/222243444.db2.gz DKALPXMUALORMW-KGLIPLIRSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[NH+]1C ZINC000123254073 222243447 /nfs/dbraw/zinc/24/34/47/222243447.db2.gz DKALPXMUALORMW-KGLIPLIRSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292094941 275375366 /nfs/dbraw/zinc/37/53/66/275375366.db2.gz HGIITYXEWMGLTN-OXJNMPFZSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292094941 275375367 /nfs/dbraw/zinc/37/53/67/275375367.db2.gz HGIITYXEWMGLTN-OXJNMPFZSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292094941 275375368 /nfs/dbraw/zinc/37/53/68/275375368.db2.gz HGIITYXEWMGLTN-OXJNMPFZSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292094941 275375369 /nfs/dbraw/zinc/37/53/69/275375369.db2.gz HGIITYXEWMGLTN-OXJNMPFZSA-N 2 2 327.472 2.382 10 0 EEAELP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077378120 289226808 /nfs/dbraw/zinc/22/68/08/289226808.db2.gz RAKSYAGBVCLOOF-GOSISDBHSA-N 3 2 337.533 2.232 10 0 EEAELP C[NH+](C)Cc1csc(C[N@H+]2CCC[C@@](O)(C[NH+]3CCCC3)C2)c1 ZINC000077378120 289226809 /nfs/dbraw/zinc/22/68/09/289226809.db2.gz RAKSYAGBVCLOOF-GOSISDBHSA-N 3 2 337.533 2.232 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000296743649 294055728 /nfs/dbraw/zinc/05/57/28/294055728.db2.gz VKSGPMLRFOETHZ-MRXNPFEDSA-N 2 2 341.459 2.319 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000296743649 294055729 /nfs/dbraw/zinc/05/57/29/294055729.db2.gz VKSGPMLRFOETHZ-MRXNPFEDSA-N 2 2 341.459 2.319 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000297166166 294168578 /nfs/dbraw/zinc/16/85/78/294168578.db2.gz PGMLAIZXLNYGHZ-UHFFFAOYSA-N 2 2 345.487 2.136 10 0 EEAELP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000333366408 312136384 /nfs/dbraw/zinc/13/63/84/312136384.db2.gz LVNUXXAIBZOMIR-RDJZCZTQSA-N 2 2 345.491 2.259 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352925664 312387755 /nfs/dbraw/zinc/38/77/55/312387755.db2.gz PWIDJQMIFZKACA-JKXDFHQYSA-N 2 2 347.425 2.344 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352925664 312387757 /nfs/dbraw/zinc/38/77/57/312387757.db2.gz PWIDJQMIFZKACA-JKXDFHQYSA-N 2 2 347.425 2.344 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352925664 312387758 /nfs/dbraw/zinc/38/77/58/312387758.db2.gz PWIDJQMIFZKACA-JKXDFHQYSA-N 2 2 347.425 2.344 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352925664 312387760 /nfs/dbraw/zinc/38/77/60/312387760.db2.gz PWIDJQMIFZKACA-JKXDFHQYSA-N 2 2 347.425 2.344 10 0 EEAELP C[C@H]1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[C@H]1C[NH3+] ZINC000416942407 313368194 /nfs/dbraw/zinc/36/81/94/313368194.db2.gz RZECFELTHNPYSC-NWDGAFQWSA-N 2 2 335.839 2.114 10 0 EEAELP C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000418434040 313812904 /nfs/dbraw/zinc/81/29/04/313812904.db2.gz UUOQCQQDAOAESL-OIISXLGYSA-N 2 2 327.432 2.176 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527804720 317266434 /nfs/dbraw/zinc/26/64/34/317266434.db2.gz AADCRKOJIHDMHW-GOSISDBHSA-N 2 2 345.487 2.260 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527804720 317266437 /nfs/dbraw/zinc/26/64/37/317266437.db2.gz AADCRKOJIHDMHW-GOSISDBHSA-N 2 2 345.487 2.260 10 0 EEAELP C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNc1[nH+]ccc2ccccc21 ZINC000528132261 317325367 /nfs/dbraw/zinc/32/53/67/317325367.db2.gz QQUXCLITQCATOH-LJQANCHMSA-N 2 2 327.428 2.263 10 0 EEAELP C[N@H+]1C2(CCC2)COC[C@]1(CO)CNc1[nH+]ccc2ccccc21 ZINC000528132261 317325370 /nfs/dbraw/zinc/32/53/70/317325370.db2.gz QQUXCLITQCATOH-LJQANCHMSA-N 2 2 327.428 2.263 10 0 EEAELP CC1(CCCC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)OCCO1 ZINC000528726714 317463428 /nfs/dbraw/zinc/46/34/28/317463428.db2.gz KZMSQPGAFLTJNK-UHFFFAOYSA-N 2 2 326.481 2.106 10 0 EEAELP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543087648 318150516 /nfs/dbraw/zinc/15/05/16/318150516.db2.gz WFJGBXYFQMGZMH-GOEBONIOSA-N 2 2 342.443 2.271 10 0 EEAELP 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ZINC000582003417 324359650 /nfs/dbraw/zinc/35/96/50/324359650.db2.gz IXLOBUHGEIZWFJ-TWOQFEAHSA-N 2 2 345.487 2.336 10 0 EEAELP Cc1nc2[nH]ccc2c(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000531433603 448082705 /nfs/dbraw/zinc/08/27/05/448082705.db2.gz WPVZLBJSODRBND-LJQANCHMSA-N 2 2 337.427 2.315 10 0 EEAELP Cc1nc2[nH]ccc2c(NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000531433603 448082709 /nfs/dbraw/zinc/08/27/09/448082709.db2.gz WPVZLBJSODRBND-LJQANCHMSA-N 2 2 337.427 2.315 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000049160993 462957309 /nfs/dbraw/zinc/95/73/09/462957309.db2.gz MQQHYKRGLXGRFJ-UHFFFAOYSA-N 2 2 341.459 2.209 10 0 EEAELP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccc(C[NH+](C)C)nc2)c1C ZINC000339256882 465171003 /nfs/dbraw/zinc/17/10/03/465171003.db2.gz DBOZYSMVYAZZJN-UHFFFAOYSA-N 2 2 342.443 2.436 10 0 EEAELP CC[C@@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000339287880 465189570 /nfs/dbraw/zinc/18/95/70/465189570.db2.gz RTRPGOPAFZVSPV-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@H+]1CCO[C@H](CC)C1 ZINC000339287880 465189577 /nfs/dbraw/zinc/18/95/77/465189577.db2.gz RTRPGOPAFZVSPV-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP CS[C@@H]1CN(c2cc(C)[nH+]c(-c3ccncc3)n2)C[C@H]1[NH+](C)C ZINC000347770559 465217590 /nfs/dbraw/zinc/21/75/90/465217590.db2.gz WENGALHGWXIBJI-HUUCEWRRSA-N 2 2 329.473 2.329 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000347910785 465303208 /nfs/dbraw/zinc/30/32/08/465303208.db2.gz DOSBQUWDHYEYNN-KRWDZBQOSA-N 2 2 326.444 2.151 10 0 EEAELP c1[nH+]c([C@@H]2CCC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)n2c1CCCC2 ZINC000337447247 465375760 /nfs/dbraw/zinc/37/57/60/465375760.db2.gz QSTYJNJNTXTAHX-QRQLOZEOSA-N 2 2 344.503 2.262 10 0 EEAELP C[C@H](CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)n1cc[nH+]c1 ZINC000521263563 468300796 /nfs/dbraw/zinc/30/07/96/468300796.db2.gz PJPQJXPORQFWNY-XYPHTWIQSA-N 2 2 330.407 2.317 10 0 EEAELP CC(C)COC[C@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479540 465391210 /nfs/dbraw/zinc/39/12/10/465391210.db2.gz CUVBLSONJPXZKF-FUHWJXTLSA-N 2 2 335.492 2.432 10 0 EEAELP CC(C)COC[C@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479540 465391221 /nfs/dbraw/zinc/39/12/21/465391221.db2.gz CUVBLSONJPXZKF-FUHWJXTLSA-N 2 2 335.492 2.432 10 0 EEAELP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000568238557 468305684 /nfs/dbraw/zinc/30/56/84/468305684.db2.gz XLBHKTADGDXZMG-HNNXBMFYSA-N 2 2 326.444 2.468 10 0 EEAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000113405601 462594087 /nfs/dbraw/zinc/59/40/87/462594087.db2.gz CNTRPAUSDOVPRA-MRXNPFEDSA-N 2 2 333.480 2.211 10 0 EEAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000113405601 462594092 /nfs/dbraw/zinc/59/40/92/462594092.db2.gz CNTRPAUSDOVPRA-MRXNPFEDSA-N 2 2 333.480 2.211 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000128315373 462627847 /nfs/dbraw/zinc/62/78/47/462627847.db2.gz JGYVJCLJXQAZJM-ZBFHGGJFSA-N 2 2 333.480 2.019 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)[C@H](C)C1 ZINC000128315373 462627850 /nfs/dbraw/zinc/62/78/50/462627850.db2.gz JGYVJCLJXQAZJM-ZBFHGGJFSA-N 2 2 333.480 2.019 10 0 EEAELP CC1CC[NH+](Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)CC1 ZINC000121763463 463191558 /nfs/dbraw/zinc/19/15/58/463191558.db2.gz JBAPTSMPNZGJCT-UHFFFAOYSA-N 2 2 326.444 2.431 10 0 EEAELP CC(C)[N@H+]1C[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000158105348 463205998 /nfs/dbraw/zinc/20/59/98/463205998.db2.gz CZARXERDUWACHU-RDJZCZTQSA-N 2 2 345.491 2.078 10 0 EEAELP CC(C)[N@@H+]1C[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000158105348 463206004 /nfs/dbraw/zinc/20/60/04/463206004.db2.gz CZARXERDUWACHU-RDJZCZTQSA-N 2 2 345.491 2.078 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000079462296 463217983 /nfs/dbraw/zinc/21/79/83/463217983.db2.gz JWQTUPWBYGTDPL-APWZRJJASA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000079462296 463217985 /nfs/dbraw/zinc/21/79/85/463217985.db2.gz JWQTUPWBYGTDPL-APWZRJJASA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000079462296 463217991 /nfs/dbraw/zinc/21/79/91/463217991.db2.gz JWQTUPWBYGTDPL-APWZRJJASA-N 2 2 347.503 2.364 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000079462296 463217993 /nfs/dbraw/zinc/21/79/93/463217993.db2.gz JWQTUPWBYGTDPL-APWZRJJASA-N 2 2 347.503 2.364 10 0 EEAELP COC(=O)C[NH+]1CCC(Nc2ccc(N3CCCCC3)c[nH+]2)CC1 ZINC000097085090 463319046 /nfs/dbraw/zinc/31/90/46/463319046.db2.gz AZAYUPXZQFRIJI-UHFFFAOYSA-N 2 2 332.448 2.121 10 0 EEAELP CC(C)[N@@H+]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000069772576 463322160 /nfs/dbraw/zinc/32/21/60/463322160.db2.gz WPOLRSCIOCXHFT-UHFFFAOYSA-N 2 2 345.491 2.176 10 0 EEAELP CC(C)[N@H+]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000069772576 463322162 /nfs/dbraw/zinc/32/21/62/463322162.db2.gz WPOLRSCIOCXHFT-UHFFFAOYSA-N 2 2 345.491 2.176 10 0 EEAELP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000150757018 463421801 /nfs/dbraw/zinc/42/18/01/463421801.db2.gz OPRMXLCJJUDMIZ-IAGOWNOFSA-N 2 2 333.480 2.035 10 0 EEAELP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000150757018 463421806 /nfs/dbraw/zinc/42/18/06/463421806.db2.gz OPRMXLCJJUDMIZ-IAGOWNOFSA-N 2 2 333.480 2.035 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000105876150 463484942 /nfs/dbraw/zinc/48/49/42/463484942.db2.gz NRKYUWAFJQGXNF-KRWDZBQOSA-N 2 2 330.407 2.040 10 0 EEAELP CCCC[C@H](C(=O)OC)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915796 463497290 /nfs/dbraw/zinc/49/72/90/463497290.db2.gz YOYGBYAOPBGBDF-QGZVFWFLSA-N 2 2 336.480 2.011 10 0 EEAELP CCCC[C@H](C(=O)OC)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000105915796 463497294 /nfs/dbraw/zinc/49/72/94/463497294.db2.gz YOYGBYAOPBGBDF-QGZVFWFLSA-N 2 2 336.480 2.011 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@@H](C)C1CC[NH2+]CC1)C2 ZINC000168415379 463665957 /nfs/dbraw/zinc/66/59/57/463665957.db2.gz QISNWCUSNLHETI-CQSZACIVSA-N 2 2 332.492 2.454 10 0 EEAELP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1sc2ccccc2c1Cl ZINC000261819699 463869113 /nfs/dbraw/zinc/86/91/13/463869113.db2.gz APQJNILOCQMILN-UHFFFAOYSA-N 2 2 337.876 2.418 10 0 EEAELP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1sc2ccccc2c1Cl ZINC000261819699 463869117 /nfs/dbraw/zinc/86/91/17/463869117.db2.gz APQJNILOCQMILN-UHFFFAOYSA-N 2 2 337.876 2.418 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261929503 463903379 /nfs/dbraw/zinc/90/33/79/463903379.db2.gz LNGFCVVCWZXEJW-JZXOWHBKSA-N 3 2 328.460 2.091 10 0 EEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H]1CC13CC[NH2+]CC3)C2 ZINC000261996404 463921468 /nfs/dbraw/zinc/92/14/68/463921468.db2.gz ZGGPQVIPSBMICR-KBPBESRZSA-N 2 2 330.476 2.001 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+](Cc2cccnc2)CC1 ZINC000178707977 463948349 /nfs/dbraw/zinc/94/83/49/463948349.db2.gz HLQHJGWQRBKIPI-MRXNPFEDSA-N 3 2 327.476 2.477 10 0 EEAELP CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000195515985 464064610 /nfs/dbraw/zinc/06/46/10/464064610.db2.gz SMANNYFEEMSLBS-INIZCTEOSA-N 2 2 330.476 2.462 10 0 EEAELP CC(C)CN(C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)C1CC1 ZINC000195515985 464064618 /nfs/dbraw/zinc/06/46/18/464064618.db2.gz SMANNYFEEMSLBS-INIZCTEOSA-N 2 2 330.476 2.462 10 0 EEAELP Cc1cc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)on1 ZINC000180673876 464367435 /nfs/dbraw/zinc/36/74/35/464367435.db2.gz PLBSLJABXPLCEK-ZDUSSCGKSA-N 2 2 325.372 2.458 10 0 EEAELP Cc1cccc(OC[C@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000237772955 464377384 /nfs/dbraw/zinc/37/73/84/464377384.db2.gz RWOKGHZKKVOGJV-GOSISDBHSA-N 2 2 341.455 2.388 10 0 EEAELP Cn1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nnc1C1CCC1 ZINC000181406498 464485656 /nfs/dbraw/zinc/48/56/56/464485656.db2.gz QXYUQFNMKSPFIN-UHFFFAOYSA-N 2 2 347.507 2.159 10 0 EEAELP Cc1cc2c(ncnc2N2CC[NH+](CCCn3cc[nH+]c3)CC2)s1 ZINC000189513076 464522308 /nfs/dbraw/zinc/52/23/08/464522308.db2.gz OMSKAQFVTPTHTI-UHFFFAOYSA-N 2 2 342.472 2.409 10 0 EEAELP Cc1nocc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000294648660 464563632 /nfs/dbraw/zinc/56/36/32/464563632.db2.gz KRWRYWXDEUZAOK-FQEVSTJZSA-N 2 2 340.471 2.375 10 0 EEAELP Cc1nocc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000294648660 464563634 /nfs/dbraw/zinc/56/36/34/464563634.db2.gz KRWRYWXDEUZAOK-FQEVSTJZSA-N 2 2 340.471 2.375 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182352400 464633532 /nfs/dbraw/zinc/63/35/32/464633532.db2.gz YQQOOHDHXPOWLW-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182352400 464633536 /nfs/dbraw/zinc/63/35/36/464633536.db2.gz YQQOOHDHXPOWLW-ROUUACIJSA-N 2 2 339.524 2.066 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3cc[nH+]c32)[C@H](C)C1 ZINC000176326171 464749604 /nfs/dbraw/zinc/74/96/04/464749604.db2.gz ACTMFLBEEAFRRU-ZACQAIPSSA-N 2 2 348.491 2.014 10 0 EEAELP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3cc[nH+]c32)[C@H](C)C1 ZINC000176326171 464749609 /nfs/dbraw/zinc/74/96/09/464749609.db2.gz ACTMFLBEEAFRRU-ZACQAIPSSA-N 2 2 348.491 2.014 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266762474 464813283 /nfs/dbraw/zinc/81/32/83/464813283.db2.gz PLTUEKQHHUXEEM-IRXDYDNUSA-N 2 2 341.459 2.411 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccc(C)cc2[nH+]1 ZINC000266762474 464813284 /nfs/dbraw/zinc/81/32/84/464813284.db2.gz PLTUEKQHHUXEEM-IRXDYDNUSA-N 2 2 341.459 2.411 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNc2nc3c(cnn3C)c(N)[nH+]2)c1 ZINC000276244538 464861361 /nfs/dbraw/zinc/86/13/61/464861361.db2.gz LALCJQRYJCHCDA-UHFFFAOYSA-N 2 2 325.420 2.009 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNc2nc3c(cnn3C)c(N)[nH+]2)c1 ZINC000276244538 464861367 /nfs/dbraw/zinc/86/13/67/464861367.db2.gz LALCJQRYJCHCDA-UHFFFAOYSA-N 2 2 325.420 2.009 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337523461 465413502 /nfs/dbraw/zinc/41/35/02/465413502.db2.gz ALDCEQTVNCDVLF-HIFRSBDPSA-N 2 2 347.850 2.414 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337523461 465413510 /nfs/dbraw/zinc/41/35/10/465413510.db2.gz ALDCEQTVNCDVLF-HIFRSBDPSA-N 2 2 347.850 2.414 10 0 EEAELP CCC(CC)[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)[NH+]1CCCC1 ZINC000352409877 465526464 /nfs/dbraw/zinc/52/64/64/465526464.db2.gz MOJBVHFALWGNIW-KRWDZBQOSA-N 2 2 347.507 2.626 10 0 EEAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000298932704 465545138 /nfs/dbraw/zinc/54/51/38/465545138.db2.gz HOZCHTBZSOFUDM-GOSISDBHSA-N 2 2 349.438 2.170 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000348695433 465746368 /nfs/dbraw/zinc/74/63/68/465746368.db2.gz JQKQWTWIVOZCSJ-UXPWSPDFSA-N 2 2 325.456 2.410 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000348695433 465746374 /nfs/dbraw/zinc/74/63/74/465746374.db2.gz JQKQWTWIVOZCSJ-UXPWSPDFSA-N 2 2 325.456 2.410 10 0 EEAELP C[N@H+](CCNC(=O)NCCCNc1cccc[nH+]1)C1CCCCC1 ZINC000338269220 465965242 /nfs/dbraw/zinc/96/52/42/465965242.db2.gz JSIVXEYFORBXIB-UHFFFAOYSA-N 2 2 333.480 2.447 10 0 EEAELP C[N@@H+](CCNC(=O)NCCCNc1cccc[nH+]1)C1CCCCC1 ZINC000338269220 465965250 /nfs/dbraw/zinc/96/52/50/465965250.db2.gz JSIVXEYFORBXIB-UHFFFAOYSA-N 2 2 333.480 2.447 10 0 EEAELP COC1(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)CCCCC1 ZINC000361549195 466092860 /nfs/dbraw/zinc/09/28/60/466092860.db2.gz NFFNFXORLRKBDG-UHFFFAOYSA-N 2 2 333.480 2.014 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)CC1 ZINC000597235146 468489903 /nfs/dbraw/zinc/48/99/03/468489903.db2.gz DPPWPLMCZCEAGU-YZGWKJHDSA-N 2 2 346.446 2.471 10 0 EEAELP CC1(C)OC[C@H](C[N@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)O1 ZINC000408521989 466676677 /nfs/dbraw/zinc/67/66/77/466676677.db2.gz BJLZHTDIEVSNSN-HOTGVXAUSA-N 2 2 347.459 2.286 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423250380 466703995 /nfs/dbraw/zinc/70/39/95/466703995.db2.gz UXFMYACHXLFUPT-RDTXWAMCSA-N 2 2 347.484 2.288 10 0 EEAELP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423251112 466704024 /nfs/dbraw/zinc/70/40/24/466704024.db2.gz WBLNXTSGVKKQME-KBXCAEBGSA-N 2 2 347.484 2.288 10 0 EEAELP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000417065184 466769283 /nfs/dbraw/zinc/76/92/83/466769283.db2.gz BIOYLFQXTNOTQF-INIZCTEOSA-N 2 2 333.480 2.065 10 0 EEAELP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCC1CC2 ZINC000373730313 466902761 /nfs/dbraw/zinc/90/27/61/466902761.db2.gz VTJDILZWNQHDJI-LJQANCHMSA-N 2 2 345.462 2.487 10 0 EEAELP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365728662 466920207 /nfs/dbraw/zinc/92/02/07/466920207.db2.gz ISJHSOCAQLBCPI-INIZCTEOSA-N 2 2 333.480 2.419 10 0 EEAELP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000365728662 466920214 /nfs/dbraw/zinc/92/02/14/466920214.db2.gz ISJHSOCAQLBCPI-INIZCTEOSA-N 2 2 333.480 2.419 10 0 EEAELP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000365728662 466920220 /nfs/dbraw/zinc/92/02/20/466920220.db2.gz ISJHSOCAQLBCPI-INIZCTEOSA-N 2 2 333.480 2.419 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417936002 466992753 /nfs/dbraw/zinc/99/27/53/466992753.db2.gz FHGMPXZRSRPARE-UONOGXRCSA-N 2 2 342.846 2.261 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417936002 466992757 /nfs/dbraw/zinc/99/27/57/466992757.db2.gz FHGMPXZRSRPARE-UONOGXRCSA-N 2 2 342.846 2.261 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417952014 467000584 /nfs/dbraw/zinc/00/05/84/467000584.db2.gz ZLEBBAUCYRGROR-CQDKDKBSSA-N 2 2 342.846 2.261 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417952014 467000588 /nfs/dbraw/zinc/00/05/88/467000588.db2.gz ZLEBBAUCYRGROR-CQDKDKBSSA-N 2 2 342.846 2.261 10 0 EEAELP CCNC(=O)C[N@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370865329 467029019 /nfs/dbraw/zinc/02/90/19/467029019.db2.gz QSZHPMBJBLHZPK-UHFFFAOYSA-N 2 2 347.507 2.335 10 0 EEAELP CCNC(=O)C[N@@H+](CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000370865329 467029024 /nfs/dbraw/zinc/02/90/24/467029024.db2.gz QSZHPMBJBLHZPK-UHFFFAOYSA-N 2 2 347.507 2.335 10 0 EEAELP CC(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428224189 467213894 /nfs/dbraw/zinc/21/38/94/467213894.db2.gz CLDCMBUTDOZZGZ-IAGOWNOFSA-N 2 2 330.476 2.097 10 0 EEAELP CC(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428224189 467213898 /nfs/dbraw/zinc/21/38/98/467213898.db2.gz CLDCMBUTDOZZGZ-IAGOWNOFSA-N 2 2 330.476 2.097 10 0 EEAELP CCc1nc(C)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000428310702 467220906 /nfs/dbraw/zinc/22/09/06/467220906.db2.gz PPKPJJBZTDBHHP-SJPCQFCGSA-N 2 2 332.492 2.288 10 0 EEAELP CCc1nc(C)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000428310702 467220912 /nfs/dbraw/zinc/22/09/12/467220912.db2.gz PPKPJJBZTDBHHP-SJPCQFCGSA-N 2 2 332.492 2.288 10 0 EEAELP CCc1nc(C)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000428310702 467220915 /nfs/dbraw/zinc/22/09/15/467220915.db2.gz PPKPJJBZTDBHHP-SJPCQFCGSA-N 2 2 332.492 2.288 10 0 EEAELP CCc1nc(C)c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)o1 ZINC000428310702 467220920 /nfs/dbraw/zinc/22/09/20/467220920.db2.gz PPKPJJBZTDBHHP-SJPCQFCGSA-N 2 2 332.492 2.288 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428551102 467245484 /nfs/dbraw/zinc/24/54/84/467245484.db2.gz SCXSENWGVAEDQQ-WWGRRREGSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428551102 467245488 /nfs/dbraw/zinc/24/54/88/467245488.db2.gz SCXSENWGVAEDQQ-WWGRRREGSA-N 2 2 341.293 2.140 10 0 EEAELP Cn1c[nH+]c(CC[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000414130381 467381168 /nfs/dbraw/zinc/38/11/68/467381168.db2.gz WSGVVEHLQAWCDT-ROUUACIJSA-N 2 2 348.878 2.278 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000386250682 467389988 /nfs/dbraw/zinc/38/99/88/467389988.db2.gz DAJOJYQKRRXADV-LELZANKISA-N 3 2 343.515 2.254 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000386250682 467389991 /nfs/dbraw/zinc/38/99/91/467389991.db2.gz DAJOJYQKRRXADV-LELZANKISA-N 3 2 343.515 2.254 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000389110180 467398681 /nfs/dbraw/zinc/39/86/81/467398681.db2.gz AHTBEEHEGVJYSL-LLVKDONJSA-N 2 2 327.222 2.362 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266385 467399213 /nfs/dbraw/zinc/39/92/13/467399213.db2.gz PVEPJUOLWQKHOZ-JYJNAYRXSA-N 2 2 341.496 2.085 10 0 EEAELP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266385 467399219 /nfs/dbraw/zinc/39/92/19/467399219.db2.gz PVEPJUOLWQKHOZ-JYJNAYRXSA-N 2 2 341.496 2.085 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000449389969 467635812 /nfs/dbraw/zinc/63/58/12/467635812.db2.gz FISHECDGCGNOOE-CQSZACIVSA-N 2 2 334.489 2.210 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000449389969 467635814 /nfs/dbraw/zinc/63/58/14/467635814.db2.gz FISHECDGCGNOOE-CQSZACIVSA-N 2 2 334.489 2.210 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000449394362 467636694 /nfs/dbraw/zinc/63/66/94/467636694.db2.gz NVGIXEKILGEVAS-QGZVFWFLSA-N 2 2 332.423 2.152 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000449394362 467636696 /nfs/dbraw/zinc/63/66/96/467636696.db2.gz NVGIXEKILGEVAS-QGZVFWFLSA-N 2 2 332.423 2.152 10 0 EEAELP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449396139 467639018 /nfs/dbraw/zinc/63/90/18/467639018.db2.gz RPMCSWRJRITOPL-MOPGFXCFSA-N 2 2 338.467 2.210 10 0 EEAELP COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449396139 467639022 /nfs/dbraw/zinc/63/90/22/467639022.db2.gz RPMCSWRJRITOPL-MOPGFXCFSA-N 2 2 338.467 2.210 10 0 EEAELP CC[C@H](C)[NH+]1CCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000458253680 467797881 /nfs/dbraw/zinc/79/78/81/467797881.db2.gz OICRIXKUBMFEGS-LBPRGKRZSA-N 2 2 347.385 2.071 10 0 EEAELP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C[C@H]1COCCO1 ZINC000450768759 467905021 /nfs/dbraw/zinc/90/50/21/467905021.db2.gz WXATXQAXUXLSOO-RBUKOAKNSA-N 2 2 332.488 2.464 10 0 EEAELP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C[C@H]1COCCO1 ZINC000450768759 467905023 /nfs/dbraw/zinc/90/50/23/467905023.db2.gz WXATXQAXUXLSOO-RBUKOAKNSA-N 2 2 332.488 2.464 10 0 EEAELP CC(C)C1CC([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000488429826 468086570 /nfs/dbraw/zinc/08/65/70/468086570.db2.gz JHRFUUWIQKBPNH-UHFFFAOYSA-N 2 2 330.476 2.145 10 0 EEAELP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000518760144 468124871 /nfs/dbraw/zinc/12/48/71/468124871.db2.gz LTXGDVIKMPEIPR-JKSUJKDBSA-N 2 2 329.444 2.222 10 0 EEAELP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000518760144 468124875 /nfs/dbraw/zinc/12/48/75/468124875.db2.gz LTXGDVIKMPEIPR-JKSUJKDBSA-N 2 2 329.444 2.222 10 0 EEAELP O[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000519399459 468158970 /nfs/dbraw/zinc/15/89/70/468158970.db2.gz QBEWBXLWZCCSJD-VQTJNVASSA-N 3 2 343.515 2.230 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccncc1 ZINC000533759277 468223023 /nfs/dbraw/zinc/22/30/23/468223023.db2.gz SIVWMERTKINBMG-QGZVFWFLSA-N 2 2 349.438 2.265 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccncc1 ZINC000533759277 468223027 /nfs/dbraw/zinc/22/30/27/468223027.db2.gz SIVWMERTKINBMG-QGZVFWFLSA-N 2 2 349.438 2.265 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000569577216 468512821 /nfs/dbraw/zinc/51/28/21/468512821.db2.gz KSKJFWLXYZRUGS-BEFAXECRSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000569577216 468512824 /nfs/dbraw/zinc/51/28/24/468512824.db2.gz KSKJFWLXYZRUGS-BEFAXECRSA-N 2 2 331.460 2.488 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000571105725 468741002 /nfs/dbraw/zinc/74/10/02/468741002.db2.gz MZVOOOASLRRLPC-WRSVWVKZSA-N 2 2 333.501 2.225 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000571105725 468741003 /nfs/dbraw/zinc/74/10/03/468741003.db2.gz MZVOOOASLRRLPC-WRSVWVKZSA-N 2 2 333.501 2.225 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000571731221 468828283 /nfs/dbraw/zinc/82/82/83/468828283.db2.gz UFVVZRVJENMDGM-QFBILLFUSA-N 2 2 331.460 2.190 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000571731221 468828288 /nfs/dbraw/zinc/82/82/88/468828288.db2.gz UFVVZRVJENMDGM-QFBILLFUSA-N 2 2 331.460 2.190 10 0 EEAELP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000573091736 469059441 /nfs/dbraw/zinc/05/94/41/469059441.db2.gz SOEFKOSBFPARDN-LIRRHRJNSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000573091736 469059447 /nfs/dbraw/zinc/05/94/47/469059447.db2.gz SOEFKOSBFPARDN-LIRRHRJNSA-N 2 2 347.459 2.106 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629603714 469590733 /nfs/dbraw/zinc/59/07/33/469590733.db2.gz NGVRNYSFDBIYMM-ZWKOTPCHSA-N 2 2 348.487 2.432 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629603714 469590737 /nfs/dbraw/zinc/59/07/37/469590737.db2.gz NGVRNYSFDBIYMM-ZWKOTPCHSA-N 2 2 348.487 2.432 10 0 EEAELP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623471044 469667022 /nfs/dbraw/zinc/66/70/22/469667022.db2.gz MMCIPKLXTQTXAU-CQSZACIVSA-N 2 2 338.345 2.169 10 0 EEAELP FC(F)(F)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)n1cccn1 ZINC000623594812 469705152 /nfs/dbraw/zinc/70/51/52/469705152.db2.gz JWQHMNVKACZHDB-CQSZACIVSA-N 2 2 336.321 2.357 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[NH2+]1 ZINC000626926575 469757440 /nfs/dbraw/zinc/75/74/40/469757440.db2.gz BIYZIRISLJBPEQ-DAXOMENPSA-N 2 2 345.422 2.088 10 0 EEAELP COc1ccc2c(c1)[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC2 ZINC000617763015 469794728 /nfs/dbraw/zinc/79/47/28/469794728.db2.gz ALKJBWPXZPACOI-SFHVURJKSA-N 2 2 347.503 2.115 10 0 EEAELP COc1ccc2c(c1)[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC2 ZINC000617763015 469794732 /nfs/dbraw/zinc/79/47/32/469794732.db2.gz ALKJBWPXZPACOI-SFHVURJKSA-N 2 2 347.503 2.115 10 0 EEAELP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624230571 469881301 /nfs/dbraw/zinc/88/13/01/469881301.db2.gz AGOLAHBRINGEEP-TZMCWYRMSA-N 2 2 327.266 2.475 10 0 EEAELP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624230571 469881302 /nfs/dbraw/zinc/88/13/02/469881302.db2.gz AGOLAHBRINGEEP-TZMCWYRMSA-N 2 2 327.266 2.475 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614091789 469847800 /nfs/dbraw/zinc/84/78/00/469847800.db2.gz BLFGZDQESAOATE-UONOGXRCSA-N 2 2 325.453 2.068 10 0 EEAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334971 469907974 /nfs/dbraw/zinc/90/79/74/469907974.db2.gz IWTJWBJAHAINPQ-RISCZKNCSA-N 2 2 345.256 2.175 10 0 EEAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334971 469907977 /nfs/dbraw/zinc/90/79/77/469907977.db2.gz IWTJWBJAHAINPQ-RISCZKNCSA-N 2 2 345.256 2.175 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630742705 469976973 /nfs/dbraw/zinc/97/69/73/469976973.db2.gz JTOXMNLOQLQPAH-MRXNPFEDSA-N 2 2 326.444 2.405 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630742705 469976975 /nfs/dbraw/zinc/97/69/75/469976975.db2.gz JTOXMNLOQLQPAH-MRXNPFEDSA-N 2 2 326.444 2.405 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)CC2 ZINC000624750713 470015291 /nfs/dbraw/zinc/01/52/91/470015291.db2.gz WRIZFCCZSWCOJJ-INIZCTEOSA-N 2 2 332.492 2.477 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)CC2 ZINC000624750713 470015293 /nfs/dbraw/zinc/01/52/93/470015293.db2.gz WRIZFCCZSWCOJJ-INIZCTEOSA-N 2 2 332.492 2.477 10 0 EEAELP Cc1nc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc(N)[nH+]1 ZINC000631044875 470054896 /nfs/dbraw/zinc/05/48/96/470054896.db2.gz PXXDIPRENFBVRW-UHFFFAOYSA-N 2 2 332.839 2.492 10 0 EEAELP Cc1nc(N)nc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)[nH+]1 ZINC000631044875 470054900 /nfs/dbraw/zinc/05/49/00/470054900.db2.gz PXXDIPRENFBVRW-UHFFFAOYSA-N 2 2 332.839 2.492 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2 ZINC000628092996 470054923 /nfs/dbraw/zinc/05/49/23/470054923.db2.gz ZKCVLPJNVXOBGB-CVEARBPZSA-N 2 2 330.476 2.277 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CC[N@H+](C3CCCCC3)C1)CC2 ZINC000628092996 470054925 /nfs/dbraw/zinc/05/49/25/470054925.db2.gz ZKCVLPJNVXOBGB-CVEARBPZSA-N 2 2 330.476 2.277 10 0 EEAELP Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc(N)[nH+]1 ZINC000631184455 470089046 /nfs/dbraw/zinc/08/90/46/470089046.db2.gz UWDJERMQTIRDFG-QWHCGFSZSA-N 2 2 336.802 2.412 10 0 EEAELP Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc(N)[nH+]1 ZINC000631184455 470089048 /nfs/dbraw/zinc/08/90/48/470089048.db2.gz UWDJERMQTIRDFG-QWHCGFSZSA-N 2 2 336.802 2.412 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)n1C ZINC000631191035 470089477 /nfs/dbraw/zinc/08/94/77/470089477.db2.gz NRCLNXNQOVXJIN-HNNXBMFYSA-N 2 2 340.830 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000628373786 470099727 /nfs/dbraw/zinc/09/97/27/470099727.db2.gz JGPAMNYNTMXOLK-IBGZPJMESA-N 2 2 338.411 2.279 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C3CCC(C)CC3)CC1)CC2 ZINC000625661378 470168860 /nfs/dbraw/zinc/16/88/60/470168860.db2.gz SGLVCAYHNSCAAH-IIIMJFFVSA-N 2 2 344.503 2.477 10 0 EEAELP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832988 470186196 /nfs/dbraw/zinc/18/61/96/470186196.db2.gz QPLWJCWPCOWIBJ-WBVHZDCISA-N 2 2 342.487 2.418 10 0 EEAELP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832988 470186197 /nfs/dbraw/zinc/18/61/97/470186197.db2.gz QPLWJCWPCOWIBJ-WBVHZDCISA-N 2 2 342.487 2.418 10 0 EEAELP CC[C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000634642589 470273477 /nfs/dbraw/zinc/27/34/77/470273477.db2.gz NASKKTPOAOPASL-NJDAHSKKSA-N 2 2 346.515 2.325 10 0 EEAELP CC[C@H](C[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000634642589 470273479 /nfs/dbraw/zinc/27/34/79/470273479.db2.gz NASKKTPOAOPASL-NJDAHSKKSA-N 2 2 346.515 2.325 10 0 EEAELP Cc1ccsc1[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721397 470285980 /nfs/dbraw/zinc/28/59/80/470285980.db2.gz YEAYVGZDLXHBQU-MJGOQNOKSA-N 2 2 346.496 2.317 10 0 EEAELP Cc1ccsc1[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721397 470285983 /nfs/dbraw/zinc/28/59/83/470285983.db2.gz YEAYVGZDLXHBQU-MJGOQNOKSA-N 2 2 346.496 2.317 10 0 EEAELP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480976 470911906 /nfs/dbraw/zinc/91/19/06/470911906.db2.gz KQDRAQHKSKBDHR-JKSUJKDBSA-N 2 2 332.444 2.430 10 0 EEAELP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480976 470911909 /nfs/dbraw/zinc/91/19/09/470911909.db2.gz KQDRAQHKSKBDHR-JKSUJKDBSA-N 2 2 332.444 2.430 10 0 EEAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654491497 471039710 /nfs/dbraw/zinc/03/97/10/471039710.db2.gz ZUCOMLNAYHSRPS-UHFFFAOYSA-N 2 2 329.488 2.371 10 0 EEAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000654491497 471039718 /nfs/dbraw/zinc/03/97/18/471039718.db2.gz ZUCOMLNAYHSRPS-UHFFFAOYSA-N 2 2 329.488 2.371 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000651175281 471078964 /nfs/dbraw/zinc/07/89/64/471078964.db2.gz WJEHWFNZCNIORA-UHFFFAOYSA-N 2 2 330.476 2.239 10 0 EEAELP c1nn2c(c1C[NH2+]C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000657446921 471140057 /nfs/dbraw/zinc/14/00/57/471140057.db2.gz NERZFQONBXHBKD-IBGZPJMESA-N 2 2 340.471 2.210 10 0 EEAELP c1nn2c(c1C[NH2+]C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CCC2 ZINC000657446921 471140063 /nfs/dbraw/zinc/14/00/63/471140063.db2.gz NERZFQONBXHBKD-IBGZPJMESA-N 2 2 340.471 2.210 10 0 EEAELP Nc1nc(NCc2cc[nH+]c(N3CCCCC3)c2)c2c([nH+]1)CCCC2 ZINC000645127894 471147692 /nfs/dbraw/zinc/14/76/92/471147692.db2.gz DBJQHMLEHJVYQN-UHFFFAOYSA-N 2 2 338.459 2.357 10 0 EEAELP O=C(N[C@H]1CCC[NH2+]CC1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000641044134 471177876 /nfs/dbraw/zinc/17/78/76/471177876.db2.gz UNPKLBHSUSJWFU-HOTGVXAUSA-N 2 2 345.491 2.251 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2cnccc2o1 ZINC000657875625 471243675 /nfs/dbraw/zinc/24/36/75/471243675.db2.gz HKDGHHTXXNACMC-CQSZACIVSA-N 2 2 344.459 2.421 10 0 EEAELP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000658166530 471274150 /nfs/dbraw/zinc/27/41/50/471274150.db2.gz PDVNUUQHJKIXPJ-LAUBAEHRSA-N 2 2 343.515 2.101 10 0 EEAELP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000658166530 471274153 /nfs/dbraw/zinc/27/41/53/471274153.db2.gz PDVNUUQHJKIXPJ-LAUBAEHRSA-N 2 2 343.515 2.101 10 0 EEAELP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000658341948 471289963 /nfs/dbraw/zinc/28/99/63/471289963.db2.gz KYXJBOGICHOWFM-YLJYHZDGSA-N 2 2 341.503 2.370 10 0 EEAELP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000658341948 471289965 /nfs/dbraw/zinc/28/99/65/471289965.db2.gz KYXJBOGICHOWFM-YLJYHZDGSA-N 2 2 341.503 2.370 10 0 EEAELP CC[N@@H+]1CC[C@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344925 471291186 /nfs/dbraw/zinc/29/11/86/471291186.db2.gz SOZZCTRWIAFHMN-JBACZVJFSA-N 2 2 344.547 2.123 10 0 EEAELP CC[N@H+]1CC[C@H](NC[C@H]2C[NH+](C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344925 471291188 /nfs/dbraw/zinc/29/11/88/471291188.db2.gz SOZZCTRWIAFHMN-JBACZVJFSA-N 2 2 344.547 2.123 10 0 EEAELP CC[NH+]1CC[C@H](NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344925 471291189 /nfs/dbraw/zinc/29/11/89/471291189.db2.gz SOZZCTRWIAFHMN-JBACZVJFSA-N 2 2 344.547 2.123 10 0 EEAELP CC[NH+]1CC[C@H](NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658344925 471291192 /nfs/dbraw/zinc/29/11/92/471291192.db2.gz SOZZCTRWIAFHMN-JBACZVJFSA-N 2 2 344.547 2.123 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1F ZINC000655714800 471453367 /nfs/dbraw/zinc/45/33/67/471453367.db2.gz DAEPSFRZIFERAS-GOSISDBHSA-N 3 2 335.467 2.230 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000653061409 471468928 /nfs/dbraw/zinc/46/89/28/471468928.db2.gz ODVRHNVRFLIOJR-CQSZACIVSA-N 2 2 336.436 2.091 10 0 EEAELP O=C(Nc1ccccc1)C1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655756013 471472459 /nfs/dbraw/zinc/47/24/59/471472459.db2.gz KJCTTXMRYLJBRQ-SFHVURJKSA-N 2 2 343.471 2.391 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659039275 471480486 /nfs/dbraw/zinc/48/04/86/471480486.db2.gz AWHCLLZRDMWYST-XJKSGUPXSA-N 2 2 343.431 2.447 10 0 EEAELP Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653156804 471510721 /nfs/dbraw/zinc/51/07/21/471510721.db2.gz LZOJBQCSSFMOBN-KRWDZBQOSA-N 2 2 326.444 2.198 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669544301 471543852 /nfs/dbraw/zinc/54/38/52/471543852.db2.gz YBXFQAKZGUXVCV-TZARZLCXSA-N 2 2 340.830 2.038 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NC/C=C/C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669544301 471543857 /nfs/dbraw/zinc/54/38/57/471543857.db2.gz YBXFQAKZGUXVCV-TZARZLCXSA-N 2 2 340.830 2.038 10 0 EEAELP CC[N@@H+]1CCO[C@H](c2nc(CCCCn3c[nH+]c(C)c3C)no2)C1 ZINC000656040377 471576098 /nfs/dbraw/zinc/57/60/98/471576098.db2.gz HYEYMJFNAOECBR-HNNXBMFYSA-N 2 2 333.436 2.299 10 0 EEAELP CC[N@H+]1CCO[C@H](c2nc(CCCCn3c[nH+]c(C)c3C)no2)C1 ZINC000656040377 471576103 /nfs/dbraw/zinc/57/61/03/471576103.db2.gz HYEYMJFNAOECBR-HNNXBMFYSA-N 2 2 333.436 2.299 10 0 EEAELP C[NH2+]C[C@@H](C)NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000659471473 471644683 /nfs/dbraw/zinc/64/46/83/471644683.db2.gz DWSNXYCFQZAVGP-WBVHZDCISA-N 2 2 329.448 2.148 10 0 EEAELP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659475675 471647584 /nfs/dbraw/zinc/64/75/84/471647584.db2.gz PDZRZIGMFQONDX-CABCVRRESA-N 2 2 340.418 2.089 10 0 EEAELP CN(CC(C)(C)[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000659475675 471647589 /nfs/dbraw/zinc/64/75/89/471647589.db2.gz PDZRZIGMFQONDX-CABCVRRESA-N 2 2 340.418 2.089 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000667150347 471672849 /nfs/dbraw/zinc/67/28/49/471672849.db2.gz KYXMKAKLORJVTE-QGZVFWFLSA-N 2 2 348.491 2.196 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000667150347 471672853 /nfs/dbraw/zinc/67/28/53/471672853.db2.gz KYXMKAKLORJVTE-QGZVFWFLSA-N 2 2 348.491 2.196 10 0 EEAELP Cc1nc2[nH]ccc2c(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH+]1 ZINC000664240556 471691394 /nfs/dbraw/zinc/69/13/94/471691394.db2.gz ZEQXGCSLGLTXHR-MRXNPFEDSA-N 2 2 337.427 2.445 10 0 EEAELP Cc1nc2[nH]ccc2c(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH+]1 ZINC000664240556 471691400 /nfs/dbraw/zinc/69/14/00/471691400.db2.gz ZEQXGCSLGLTXHR-MRXNPFEDSA-N 2 2 337.427 2.445 10 0 EEAELP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)c1[nH+]ccn1C ZINC000667255971 471711614 /nfs/dbraw/zinc/71/16/14/471711614.db2.gz ANWFUJJHLXCVOB-CQSZACIVSA-N 2 2 347.438 2.394 10 0 EEAELP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702378 471811812 /nfs/dbraw/zinc/81/18/12/471811812.db2.gz PLTGVOFNXLZAPE-SJORKVTESA-N 2 2 334.460 2.091 10 0 EEAELP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702378 471811815 /nfs/dbraw/zinc/81/18/15/471811815.db2.gz PLTGVOFNXLZAPE-SJORKVTESA-N 2 2 334.460 2.091 10 0 EEAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnc(N)s2)cc1 ZINC000656790517 471841374 /nfs/dbraw/zinc/84/13/74/471841374.db2.gz WXRFPPYSMBDPPJ-HOTGVXAUSA-N 2 2 332.473 2.359 10 0 EEAELP c1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nnn1C1CCC1 ZINC000667675437 471863989 /nfs/dbraw/zinc/86/39/89/471863989.db2.gz IYNITBABJKCUEH-UHFFFAOYSA-N 2 2 333.480 2.080 10 0 EEAELP CSc1cccc(C[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000660120172 471870990 /nfs/dbraw/zinc/87/09/90/471870990.db2.gz DWDDQEFXEJSXBD-KRWDZBQOSA-N 2 2 333.501 2.323 10 0 EEAELP CSc1cccc(C[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000660120172 471870993 /nfs/dbraw/zinc/87/09/93/471870993.db2.gz DWDDQEFXEJSXBD-KRWDZBQOSA-N 2 2 333.501 2.323 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1[nH+]ccn1C ZINC000660215322 471907249 /nfs/dbraw/zinc/90/72/49/471907249.db2.gz PNVMGSSGPPRFRD-KGLIPLIRSA-N 2 2 331.420 2.210 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662142451 472006548 /nfs/dbraw/zinc/00/65/48/472006548.db2.gz IWSYYUVQQOTSNL-KSMMKXTCSA-N 2 2 342.443 2.354 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662142451 472006550 /nfs/dbraw/zinc/00/65/50/472006550.db2.gz IWSYYUVQQOTSNL-KSMMKXTCSA-N 2 2 342.443 2.354 10 0 EEAELP Clc1ccc(O[C@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000662259208 472046872 /nfs/dbraw/zinc/04/68/72/472046872.db2.gz RXDCHSOUDSCGKR-STQMWFEESA-N 2 2 331.243 2.435 10 0 EEAELP Clc1ccc(O[C@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000662259208 472046875 /nfs/dbraw/zinc/04/68/75/472046875.db2.gz RXDCHSOUDSCGKR-STQMWFEESA-N 2 2 331.243 2.435 10 0 EEAELP COc1ccccc1C[NH+]1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662715360 472220115 /nfs/dbraw/zinc/22/01/15/472220115.db2.gz HNXUYCLRPIADCL-UHFFFAOYSA-N 2 2 343.471 2.014 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000673664469 485492414 /nfs/dbraw/zinc/49/24/14/485492414.db2.gz AQBYNTYKQPUVOX-ZIFCJYIRSA-N 2 2 344.503 2.425 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccn1 ZINC000673664469 485492423 /nfs/dbraw/zinc/49/24/23/485492423.db2.gz AQBYNTYKQPUVOX-ZIFCJYIRSA-N 2 2 344.503 2.425 10 0 EEAELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673664469 485492430 /nfs/dbraw/zinc/49/24/30/485492430.db2.gz AQBYNTYKQPUVOX-ZIFCJYIRSA-N 2 2 344.503 2.425 10 0 EEAELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673664469 485492436 /nfs/dbraw/zinc/49/24/36/485492436.db2.gz AQBYNTYKQPUVOX-ZIFCJYIRSA-N 2 2 344.503 2.425 10 0 EEAELP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC000672149299 486054029 /nfs/dbraw/zinc/05/40/29/486054029.db2.gz LBKUGPWPVJFJBW-KRWDZBQOSA-N 2 2 326.444 2.470 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000680913961 486084670 /nfs/dbraw/zinc/08/46/70/486084670.db2.gz IMDBHQGAPDCBKF-GOEBONIOSA-N 2 2 336.505 2.231 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000680913961 486084674 /nfs/dbraw/zinc/08/46/74/486084674.db2.gz IMDBHQGAPDCBKF-GOEBONIOSA-N 2 2 336.505 2.231 10 0 EEAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccnn1C ZINC000192636835 533848833 /nfs/dbraw/zinc/84/88/33/533848833.db2.gz LPZYDSXGTOOYLL-KRWDZBQOSA-N 2 2 327.476 2.283 10 0 EEAELP COc1ccc([C@H](NCC(C)(C)[NH+]2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422757906 536930384 /nfs/dbraw/zinc/93/03/84/536930384.db2.gz NJYKSRILQUOTNA-MOPGFXCFSA-N 2 2 347.503 2.189 10 0 EEAELP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[N@H+](CCO)C1 ZINC000395146162 576096317 /nfs/dbraw/zinc/09/63/17/576096317.db2.gz LHUNCMWYRWOGKE-OAHLLOKOSA-N 2 2 327.266 2.304 10 0 EEAELP Cc1cc(Br)ccc1C[NH2+][C@@H]1CCC[N@@H+](CCO)C1 ZINC000395146162 576096319 /nfs/dbraw/zinc/09/63/19/576096319.db2.gz LHUNCMWYRWOGKE-OAHLLOKOSA-N 2 2 327.266 2.304 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)OCCn3cc[nH+]c3)cc2F)CC1 ZINC000771980821 577243226 /nfs/dbraw/zinc/24/32/26/577243226.db2.gz XZHQTLOHBYVGKC-UHFFFAOYSA-N 2 2 346.406 2.021 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]CC3(C)OCCCO3)CC2)cc1 ZINC000754125527 577800834 /nfs/dbraw/zinc/80/08/34/577800834.db2.gz ZPQTYTJCVLBWSL-UHFFFAOYSA-N 2 2 333.476 2.464 10 0 EEAELP O=C([C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1)N1CCCC1 ZINC000750046686 577986166 /nfs/dbraw/zinc/98/61/66/577986166.db2.gz GOANSNYXCQVHJM-QGZVFWFLSA-N 2 2 339.443 2.102 10 0 EEAELP O=C([C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1)N1CCCC1 ZINC000750046686 577986167 /nfs/dbraw/zinc/98/61/67/577986167.db2.gz GOANSNYXCQVHJM-QGZVFWFLSA-N 2 2 339.443 2.102 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC000894773618 683077274 /nfs/dbraw/zinc/07/72/74/683077274.db2.gz XWNCYEYFEWLBJG-OAHLLOKOSA-N 2 2 342.491 2.496 10 0 EEAELP CCc1[nH]c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1C(=O)OC ZINC000895556188 684641200 /nfs/dbraw/zinc/64/12/00/684641200.db2.gz GNHNVYHMHDOQLA-CQSZACIVSA-N 2 2 342.443 2.469 10 0 EEAELP CCc1[nH]c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1C(=O)OC ZINC000895556188 684641202 /nfs/dbraw/zinc/64/12/02/684641202.db2.gz GNHNVYHMHDOQLA-CQSZACIVSA-N 2 2 342.443 2.469 10 0 EEAELP C(C[NH+]1CCOCC1)N1CCC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000895684513 684686809 /nfs/dbraw/zinc/68/68/09/684686809.db2.gz DGAWYOGMWITGDF-SFHVURJKSA-N 2 2 335.536 2.486 10 0 EEAELP C[NH+]1CCC(OCC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000923794985 692997017 /nfs/dbraw/zinc/99/70/17/692997017.db2.gz RGOWRMNJCLLEOI-UHFFFAOYSA-N 2 2 329.400 2.026 10 0 EEAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001485642811 1191876546 /nfs/dbraw/zinc/87/65/46/1191876546.db2.gz FTAGTPFFPLWUEL-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCC3)C[C@@H]2C1 ZINC001485658954 1191879403 /nfs/dbraw/zinc/87/94/03/1191879403.db2.gz WCHLCKFWAWDMTP-FGTMMUONSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2C1 ZINC001485658954 1191879404 /nfs/dbraw/zinc/87/94/04/1191879404.db2.gz WCHLCKFWAWDMTP-FGTMMUONSA-N 2 2 344.503 2.370 10 0 EEAELP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001485685280 1191896793 /nfs/dbraw/zinc/89/67/93/1191896793.db2.gz RYBJKTXUHHWMNC-CKEIUWERSA-N 2 2 333.480 2.075 10 0 EEAELP CCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001485685280 1191896795 /nfs/dbraw/zinc/89/67/95/1191896795.db2.gz RYBJKTXUHHWMNC-CKEIUWERSA-N 2 2 333.480 2.075 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001266353660 1176381216 /nfs/dbraw/zinc/38/12/16/1176381216.db2.gz ZKJGOMOPDQXRRE-GDBMZVCRSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001266353660 1176381223 /nfs/dbraw/zinc/38/12/23/1176381223.db2.gz ZKJGOMOPDQXRRE-GDBMZVCRSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001266381276 1176451428 /nfs/dbraw/zinc/45/14/28/1176451428.db2.gz YXORNAFUNVFXPZ-KRWDZBQOSA-N 2 2 330.476 2.290 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001670543433 1176875805 /nfs/dbraw/zinc/87/58/05/1176875805.db2.gz AANGMLXHFVJLRM-SFHVURJKSA-N 2 2 330.476 2.338 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)s1 ZINC001279573528 1178231082 /nfs/dbraw/zinc/23/10/82/1178231082.db2.gz FVWDEDRLMFOMJI-UHFFFAOYSA-N 2 2 348.516 2.184 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)s1 ZINC001279573528 1178231089 /nfs/dbraw/zinc/23/10/89/1178231089.db2.gz FVWDEDRLMFOMJI-UHFFFAOYSA-N 2 2 348.516 2.184 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[C@H](C)[NH2+]Cc3ocnc3C)ccn12 ZINC001267129726 1178300458 /nfs/dbraw/zinc/30/04/58/1178300458.db2.gz WKNSFOHYVMXZDG-LBPRGKRZSA-N 2 2 341.415 2.237 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]CC[C@@H]1CCCC1(F)F ZINC001267461438 1179053013 /nfs/dbraw/zinc/05/30/13/1179053013.db2.gz PZOVTLAXBPSBGG-ZDUSSCGKSA-N 2 2 328.407 2.134 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001267629410 1180033633 /nfs/dbraw/zinc/03/36/33/1180033633.db2.gz WSGQICWIGSXNGW-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001267629410 1180033641 /nfs/dbraw/zinc/03/36/41/1180033641.db2.gz WSGQICWIGSXNGW-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP CN(CC[NH2+]CCCc1ccsc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001481250545 1180468464 /nfs/dbraw/zinc/46/84/64/1180468464.db2.gz OAVCKVDASGVCCF-INIZCTEOSA-N 2 2 346.500 2.188 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267966598 1180866040 /nfs/dbraw/zinc/86/60/40/1180866040.db2.gz MHQOREMXWCRIND-ANWGSAMYSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267966598 1180866051 /nfs/dbraw/zinc/86/60/51/1180866051.db2.gz MHQOREMXWCRIND-ANWGSAMYSA-N 2 2 330.476 2.461 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH2+]CCOC3CCC3)ccn12 ZINC001267985175 1180920889 /nfs/dbraw/zinc/92/08/89/1180920889.db2.gz BRLIYRLUEPPJAF-CQSZACIVSA-N 2 2 344.459 2.167 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481437678 1181341228 /nfs/dbraw/zinc/34/12/28/1181341228.db2.gz XERMXCGQWAXMGE-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP CCCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481437678 1181341234 /nfs/dbraw/zinc/34/12/34/1181341234.db2.gz XERMXCGQWAXMGE-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1 ZINC001268088788 1181707990 /nfs/dbraw/zinc/70/79/90/1181707990.db2.gz CYJQXBHEHFQMSN-KBPBESRZSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CCc1cccs1 ZINC001268088788 1181707997 /nfs/dbraw/zinc/70/79/97/1181707997.db2.gz CYJQXBHEHFQMSN-KBPBESRZSA-N 2 2 334.489 2.329 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@@H]2CCc3c2c(F)ccc3F)C1 ZINC001481658593 1182154271 /nfs/dbraw/zinc/15/42/71/1182154271.db2.gz NCCWFMWVYRVDTO-QGZVFWFLSA-N 2 2 349.425 2.096 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ns1 ZINC001268376279 1182395428 /nfs/dbraw/zinc/39/54/28/1182395428.db2.gz WWHUHBKRYHPSDB-LBPRGKRZSA-N 2 2 348.472 2.082 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cc1c[nH+]cn1C ZINC001268413552 1182563726 /nfs/dbraw/zinc/56/37/26/1182563726.db2.gz GXQHHSDWQMRTIF-CYBMUJFWSA-N 2 2 334.851 2.301 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH2+]CC[C@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001268419033 1182583601 /nfs/dbraw/zinc/58/36/01/1182583601.db2.gz JHLDPKDRIQEFGR-ZDUSSCGKSA-N 2 2 346.479 2.031 10 0 EEAELP C[C@@](C[NH2+]CCc1ccccc1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481947701 1183014418 /nfs/dbraw/zinc/01/44/18/1183014418.db2.gz JQPOBIPXQSBEAW-IBGZPJMESA-N 2 2 326.444 2.069 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268549524 1183232405 /nfs/dbraw/zinc/23/24/05/1183232405.db2.gz YNLPYVAWFZQWJK-OWOJBTEDSA-N 2 2 338.455 2.293 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C/C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001268549524 1183232410 /nfs/dbraw/zinc/23/24/10/1183232410.db2.gz YNLPYVAWFZQWJK-OWOJBTEDSA-N 2 2 338.455 2.293 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)c2ccc3c[nH+]cn3c2C)no1 ZINC001268557534 1183250635 /nfs/dbraw/zinc/25/06/35/1183250635.db2.gz DTBLHOSDBGDSAA-ONEGZZNKSA-N 2 2 339.399 2.015 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001268573777 1183315634 /nfs/dbraw/zinc/31/56/34/1183315634.db2.gz FHHREYXDDPPKLY-ONEGZZNKSA-N 2 2 332.473 2.414 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268777533 1183694919 /nfs/dbraw/zinc/69/49/19/1183694919.db2.gz ZVKUCPJITIQKQV-JSGCOSHPSA-N 2 2 346.397 2.180 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001269771156 1184610428 /nfs/dbraw/zinc/61/04/28/1184610428.db2.gz YIDVIMHRZXFPTP-BFTHVDOESA-N 2 2 345.274 2.490 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001269787187 1184619925 /nfs/dbraw/zinc/61/99/25/1184619925.db2.gz ZAJVEKBXRHUHSE-AUWXEVLLSA-N 2 2 345.274 2.490 10 0 EEAELP COCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001270511888 1185137288 /nfs/dbraw/zinc/13/72/88/1185137288.db2.gz DOGCLNWWHBSOHI-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP COCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001270511888 1185137293 /nfs/dbraw/zinc/13/72/93/1185137293.db2.gz DOGCLNWWHBSOHI-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482299988 1185200002 /nfs/dbraw/zinc/20/00/02/1185200002.db2.gz WMGUTPWEVWRFRG-LBPRGKRZSA-N 2 2 327.388 2.110 10 0 EEAELP C[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001482312363 1185291115 /nfs/dbraw/zinc/29/11/15/1185291115.db2.gz GSSDMUSYQNKSLZ-KGLIPLIRSA-N 2 2 328.407 2.145 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482340564 1185439128 /nfs/dbraw/zinc/43/91/28/1185439128.db2.gz JMNNFIOVCILQEI-RYUDHWBXSA-N 2 2 349.504 2.298 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482340564 1185439132 /nfs/dbraw/zinc/43/91/32/1185439132.db2.gz JMNNFIOVCILQEI-RYUDHWBXSA-N 2 2 349.504 2.298 10 0 EEAELP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001482371072 1185534371 /nfs/dbraw/zinc/53/43/71/1185534371.db2.gz IYWZNLDUVRHFID-CQSZACIVSA-N 2 2 349.866 2.348 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001271741189 1186453198 /nfs/dbraw/zinc/45/31/98/1186453198.db2.gz WGQPFWUJFKEILS-DGCLKSJQSA-N 2 2 345.274 2.488 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482846452 1187765429 /nfs/dbraw/zinc/76/54/29/1187765429.db2.gz UAZSYNYBKJSZJG-HOCLYGCPSA-N 2 2 344.434 2.269 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482933952 1187854306 /nfs/dbraw/zinc/85/43/06/1187854306.db2.gz AFNLHSJHJHQGGH-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+][C@H]1CCCc2ccccc21 ZINC001483081839 1188443549 /nfs/dbraw/zinc/44/35/49/1188443549.db2.gz GASVXZLZEUCHGN-HMECNJMJSA-N 2 2 338.455 2.302 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F ZINC001483082363 1188445501 /nfs/dbraw/zinc/44/55/01/1188445501.db2.gz OYXKZVCHLZULMI-DCKQQPRJSA-N 2 2 342.418 2.051 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483229119 1189550991 /nfs/dbraw/zinc/55/09/91/1189550991.db2.gz AAJZTULQFWSABP-KBXCAEBGSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001483229119 1189550993 /nfs/dbraw/zinc/55/09/93/1189550993.db2.gz AAJZTULQFWSABP-KBXCAEBGSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCc2c1c(F)ccc2F ZINC001409687522 1190186024 /nfs/dbraw/zinc/18/60/24/1190186024.db2.gz FJJIZZZFSMRIAY-MLGOLLRUSA-N 2 2 348.397 2.285 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCc2c1c(F)ccc2F ZINC001409687522 1190186029 /nfs/dbraw/zinc/18/60/29/1190186029.db2.gz FJJIZZZFSMRIAY-MLGOLLRUSA-N 2 2 348.397 2.285 10 0 EEAELP C[C@H](C[N@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001483366459 1190409281 /nfs/dbraw/zinc/40/92/81/1190409281.db2.gz OTNOJSJAGRJRLV-CRAIPNDOSA-N 2 2 340.471 2.477 10 0 EEAELP C[C@H](C[N@@H+](C)[C@@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001483366459 1190409285 /nfs/dbraw/zinc/40/92/85/1190409285.db2.gz OTNOJSJAGRJRLV-CRAIPNDOSA-N 2 2 340.471 2.477 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001483803019 1191044457 /nfs/dbraw/zinc/04/44/57/1191044457.db2.gz YMVTWCWOHUFBDI-QZTJIDSGSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001483803019 1191044461 /nfs/dbraw/zinc/04/44/61/1191044461.db2.gz YMVTWCWOHUFBDI-QZTJIDSGSA-N 2 2 348.491 2.011 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001483807543 1191052959 /nfs/dbraw/zinc/05/29/59/1191052959.db2.gz JZWGXZJJVKKNNJ-DRDDEIGGSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001483807543 1191052960 /nfs/dbraw/zinc/05/29/60/1191052960.db2.gz JZWGXZJJVKKNNJ-DRDDEIGGSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001483807543 1191052963 /nfs/dbraw/zinc/05/29/63/1191052963.db2.gz JZWGXZJJVKKNNJ-DRDDEIGGSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001483807543 1191052966 /nfs/dbraw/zinc/05/29/66/1191052966.db2.gz JZWGXZJJVKKNNJ-DRDDEIGGSA-N 2 2 349.519 2.129 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001484058368 1191180926 /nfs/dbraw/zinc/18/09/26/1191180926.db2.gz LVCOAGKFNAAKKM-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001484058368 1191180928 /nfs/dbraw/zinc/18/09/28/1191180928.db2.gz LVCOAGKFNAAKKM-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001484072756 1191194042 /nfs/dbraw/zinc/19/40/42/1191194042.db2.gz BMSNDGMNYKFOAD-MRXNPFEDSA-N 2 2 340.418 2.289 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC001484072756 1191194044 /nfs/dbraw/zinc/19/40/44/1191194044.db2.gz BMSNDGMNYKFOAD-MRXNPFEDSA-N 2 2 340.418 2.289 10 0 EEAELP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)no1 ZINC001484113230 1191213693 /nfs/dbraw/zinc/21/36/93/1191213693.db2.gz DVSYSWNKVQKQED-KDOFPFPSSA-N 2 2 345.447 2.159 10 0 EEAELP CC[C@@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001484681785 1191469671 /nfs/dbraw/zinc/46/96/71/1191469671.db2.gz ZKGHZKWTKURYCP-UKRRQHHQSA-N 2 2 330.432 2.040 10 0 EEAELP COc1cccc(C[N@H+](C)CCCN(C)C(=O)Cn2cc[nH+]c2)c1C ZINC001484769554 1191512548 /nfs/dbraw/zinc/51/25/48/1191512548.db2.gz GMRXHIRHKOYAED-UHFFFAOYSA-N 2 2 344.459 2.181 10 0 EEAELP COc1cccc(C[N@@H+](C)CCCN(C)C(=O)Cn2cc[nH+]c2)c1C ZINC001484769554 1191512549 /nfs/dbraw/zinc/51/25/49/1191512549.db2.gz GMRXHIRHKOYAED-UHFFFAOYSA-N 2 2 344.459 2.181 10 0 EEAELP CC1([NH2+]C/C=C/Cl)CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484919931 1191575456 /nfs/dbraw/zinc/57/54/56/1191575456.db2.gz RWZXLWLPTCGADH-NOYTZHBZSA-N 2 2 336.867 2.169 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc(Cl)s1 ZINC001485216075 1191689020 /nfs/dbraw/zinc/68/90/20/1191689020.db2.gz OOQLHTCNFSONQB-WDEREUQCSA-N 2 2 340.880 2.361 10 0 EEAELP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001485231101 1191699777 /nfs/dbraw/zinc/69/97/77/1191699777.db2.gz CBDSIEFNOLNZOI-GJZGRUSLSA-N 2 2 332.423 2.485 10 0 EEAELP CN(CC(C)(C)C[NH2+]CC(F)(F)C(F)F)C(=O)C[NH+]1CCCC1 ZINC001485264780 1191710814 /nfs/dbraw/zinc/71/08/14/1191710814.db2.gz KJCYSVORJNKZSV-UHFFFAOYSA-N 2 2 341.393 2.057 10 0 EEAELP Cc1cnc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)s1 ZINC001485312986 1191729755 /nfs/dbraw/zinc/72/97/55/1191729755.db2.gz KKWFAIFXPOHHJU-DZGCQCFKSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)s1 ZINC001485312986 1191729757 /nfs/dbraw/zinc/72/97/57/1191729757.db2.gz KKWFAIFXPOHHJU-DZGCQCFKSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)s1 ZINC001485312986 1191729759 /nfs/dbraw/zinc/72/97/59/1191729759.db2.gz KKWFAIFXPOHHJU-DZGCQCFKSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1cnc(C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)s1 ZINC001485312986 1191729760 /nfs/dbraw/zinc/72/97/60/1191729760.db2.gz KKWFAIFXPOHHJU-DZGCQCFKSA-N 2 2 338.521 2.262 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)Cc1ccsc1 ZINC001485353723 1191752481 /nfs/dbraw/zinc/75/24/81/1191752481.db2.gz YJCAQAXTZXNOND-BPLDGKMQSA-N 2 2 332.473 2.222 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)Cc1ccsc1 ZINC001485353723 1191752483 /nfs/dbraw/zinc/75/24/83/1191752483.db2.gz YJCAQAXTZXNOND-BPLDGKMQSA-N 2 2 332.473 2.222 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1(C)C ZINC001486236023 1193762010 /nfs/dbraw/zinc/76/20/10/1193762010.db2.gz LCWUEUVTDMKSCT-HOTGVXAUSA-N 2 2 330.476 2.238 10 0 EEAELP C[C@H](CC[NH2+]Cc1ncc(Cl)s1)NC(=O)CCn1cc[nH+]c1 ZINC001272943143 1193893182 /nfs/dbraw/zinc/89/31/82/1193893182.db2.gz GSXVAFWPBLDRJJ-LLVKDONJSA-N 2 2 341.868 2.068 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1Cc1cccc2cccnc21)C(=O)Cn1cc[nH+]c1 ZINC001691683711 1197493388 /nfs/dbraw/zinc/49/33/88/1197493388.db2.gz SPAJNJAYHBQLLZ-SFHVURJKSA-N 2 2 349.438 2.164 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1Cc1cccc2cccnc21)C(=O)Cn1cc[nH+]c1 ZINC001691683711 1197493390 /nfs/dbraw/zinc/49/33/90/1197493390.db2.gz SPAJNJAYHBQLLZ-SFHVURJKSA-N 2 2 349.438 2.164 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001273212653 1197559802 /nfs/dbraw/zinc/55/98/02/1197559802.db2.gz PQBMKJWPLHWYGT-LBPRGKRZSA-N 2 2 338.814 2.360 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000872154745 1198062526 /nfs/dbraw/zinc/06/25/26/1198062526.db2.gz XZWLDIJDRWNYPH-UKRRQHHQSA-N 2 2 332.366 2.391 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1 ZINC000872154745 1198062532 /nfs/dbraw/zinc/06/25/32/1198062532.db2.gz XZWLDIJDRWNYPH-UKRRQHHQSA-N 2 2 332.366 2.391 10 0 EEAELP Fc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cnc1Cl ZINC000865469591 1198234124 /nfs/dbraw/zinc/23/41/24/1198234124.db2.gz ZZHRQRBWSZPKFP-LBPRGKRZSA-N 2 2 327.831 2.465 10 0 EEAELP CC[NH2+][C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1ccccc1 ZINC001410940042 1198610920 /nfs/dbraw/zinc/61/09/20/1198610920.db2.gz QOGODHHARNHRGZ-RCCFBDPRSA-N 2 2 340.471 2.251 10 0 EEAELP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1nccs1 ZINC001411010645 1198688620 /nfs/dbraw/zinc/68/86/20/1198688620.db2.gz IRXUDUIJSBKVQK-AWEZNQCLSA-N 2 2 347.488 2.147 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cncc(F)c2)[C@@H]1C ZINC001411060568 1198739959 /nfs/dbraw/zinc/73/99/59/1198739959.db2.gz KUGYZIZRDWDARI-PBHICJAKSA-N 2 2 336.455 2.032 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cncc(F)c2)[C@@H]1C ZINC001411060568 1198739962 /nfs/dbraw/zinc/73/99/62/1198739962.db2.gz KUGYZIZRDWDARI-PBHICJAKSA-N 2 2 336.455 2.032 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001411060568 1198739966 /nfs/dbraw/zinc/73/99/66/1198739966.db2.gz KUGYZIZRDWDARI-PBHICJAKSA-N 2 2 336.455 2.032 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@@H]1C ZINC001411060568 1198739969 /nfs/dbraw/zinc/73/99/69/1198739969.db2.gz KUGYZIZRDWDARI-PBHICJAKSA-N 2 2 336.455 2.032 10 0 EEAELP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)CC1 ZINC000874081696 1198785379 /nfs/dbraw/zinc/78/53/79/1198785379.db2.gz GCFLSDSWROZEEE-IAGOWNOFSA-N 2 2 339.443 2.294 10 0 EEAELP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)cc2)CC1 ZINC000874081696 1198785381 /nfs/dbraw/zinc/78/53/81/1198785381.db2.gz GCFLSDSWROZEEE-IAGOWNOFSA-N 2 2 339.443 2.294 10 0 EEAELP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)CC1 ZINC000874081696 1198785383 /nfs/dbraw/zinc/78/53/83/1198785383.db2.gz GCFLSDSWROZEEE-IAGOWNOFSA-N 2 2 339.443 2.294 10 0 EEAELP C[N@H+]1CCCN(c2ccc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)cc2)CC1 ZINC000874081696 1198785384 /nfs/dbraw/zinc/78/53/84/1198785384.db2.gz GCFLSDSWROZEEE-IAGOWNOFSA-N 2 2 339.443 2.294 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(N2CCNC2=O)cc1 ZINC000810253666 1199405787 /nfs/dbraw/zinc/40/57/87/1199405787.db2.gz ZQURHQOZZQEEIZ-TZMCWYRMSA-N 2 2 325.416 2.147 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869104963 1201939875 /nfs/dbraw/zinc/93/98/75/1201939875.db2.gz CNBZRZUNHVIBTD-SFHVURJKSA-N 2 2 341.459 2.410 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869104963 1201939877 /nfs/dbraw/zinc/93/98/77/1201939877.db2.gz CNBZRZUNHVIBTD-SFHVURJKSA-N 2 2 341.459 2.410 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CCCC2CCCC2)CCOCC1 ZINC001274008087 1204311742 /nfs/dbraw/zinc/31/17/42/1204311742.db2.gz PCHMISPPTLKGQE-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCC1 ZINC001274379981 1205015195 /nfs/dbraw/zinc/01/51/95/1205015195.db2.gz YJNSXCALCLJFKV-ADDHZHGLSA-N 2 2 330.476 2.366 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001274611895 1205097617 /nfs/dbraw/zinc/09/76/17/1205097617.db2.gz XJBGYPYOBRYSOK-OOFWQKGWSA-N 2 2 348.491 2.256 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000925914900 1206167704 /nfs/dbraw/zinc/16/77/04/1206167704.db2.gz GONVYLQKPJSPJN-OLZOCXBDSA-N 2 2 337.493 2.106 10 0 EEAELP CCn1nc(C)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000925935703 1206171400 /nfs/dbraw/zinc/17/14/00/1206171400.db2.gz GNJAYPYVPCOCSM-CJNGLKHVSA-N 2 2 343.479 2.315 10 0 EEAELP CCCOc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1F ZINC000926183645 1206202149 /nfs/dbraw/zinc/20/21/49/1206202149.db2.gz NUNNBNKSIFJNML-UHFFFAOYSA-N 2 2 338.427 2.159 10 0 EEAELP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc(C(C)C)ns2)CC1 ZINC000930663050 1206573693 /nfs/dbraw/zinc/57/36/93/1206573693.db2.gz FMRSWOXONHUGLA-UHFFFAOYSA-N 2 2 325.526 2.167 10 0 EEAELP Nc1cc[nH+]c2c1C[N@H+](CCC(=O)N1CCc3sccc3C1)CC2 ZINC000931511118 1207401980 /nfs/dbraw/zinc/40/19/80/1207401980.db2.gz KASKARWPDRIXTI-UHFFFAOYSA-N 2 2 342.468 2.058 10 0 EEAELP Nc1cc[nH+]c2c1C[N@@H+](CCC(=O)N1CCc3sccc3C1)CC2 ZINC000931511118 1207401982 /nfs/dbraw/zinc/40/19/82/1207401982.db2.gz KASKARWPDRIXTI-UHFFFAOYSA-N 2 2 342.468 2.058 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CCNC(=O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC001412951524 1216150171 /nfs/dbraw/zinc/15/01/71/1216150171.db2.gz UABCBVZBOYSPKO-VQIMIIECSA-N 2 2 329.488 2.498 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CCNC(=O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC001412951524 1216150172 /nfs/dbraw/zinc/15/01/72/1216150172.db2.gz UABCBVZBOYSPKO-VQIMIIECSA-N 2 2 329.488 2.498 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CCNC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001412951524 1216150174 /nfs/dbraw/zinc/15/01/74/1216150174.db2.gz UABCBVZBOYSPKO-VQIMIIECSA-N 2 2 329.488 2.498 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CCNC(=O)C2CC2)CC[NH+]1Cc1ccccc1 ZINC001412951524 1216150175 /nfs/dbraw/zinc/15/01/75/1216150175.db2.gz UABCBVZBOYSPKO-VQIMIIECSA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)c2C1 ZINC000901152573 1235288413 /nfs/dbraw/zinc/28/84/13/1235288413.db2.gz PDXJVRZKQPWJBE-HNAYVOBHSA-N 2 2 331.460 2.052 10 0 EEAELP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@H](O)C[NH+]3C)c2C1 ZINC000901152573 1235288416 /nfs/dbraw/zinc/28/84/16/1235288416.db2.gz PDXJVRZKQPWJBE-HNAYVOBHSA-N 2 2 331.460 2.052 10 0 EEAELP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)c2C1 ZINC000901152573 1235288418 /nfs/dbraw/zinc/28/84/18/1235288418.db2.gz PDXJVRZKQPWJBE-HNAYVOBHSA-N 2 2 331.460 2.052 10 0 EEAELP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@]3(C)C[C@H](O)C[N@H+]3C)c2C1 ZINC000901152573 1235288423 /nfs/dbraw/zinc/28/84/23/1235288423.db2.gz PDXJVRZKQPWJBE-HNAYVOBHSA-N 2 2 331.460 2.052 10 0 EEAELP Cn1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C(F)(F)F ZINC000903460591 1240534750 /nfs/dbraw/zinc/53/47/50/1240534750.db2.gz FASIPAJKAVGDAV-MRVWCRGKSA-N 2 2 346.397 2.300 10 0 EEAELP Cn1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C(F)(F)F ZINC000903460591 1240534763 /nfs/dbraw/zinc/53/47/63/1240534763.db2.gz FASIPAJKAVGDAV-MRVWCRGKSA-N 2 2 346.397 2.300 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000903474063 1240581687 /nfs/dbraw/zinc/58/16/87/1240581687.db2.gz HAFBDRSRGWVROP-WXYCVUISSA-N 2 2 339.277 2.412 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000903474063 1240581696 /nfs/dbraw/zinc/58/16/96/1240581696.db2.gz HAFBDRSRGWVROP-WXYCVUISSA-N 2 2 339.277 2.412 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001491542500 1245863555 /nfs/dbraw/zinc/86/35/55/1245863555.db2.gz HWXAKZTUKUPFOH-WBMJQRKESA-N 2 2 348.397 2.333 10 0 EEAELP Cc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)Cn2c[nH+]cc2C)s1 ZINC001491216805 1258795300 /nfs/dbraw/zinc/79/53/00/1258795300.db2.gz LAJJAZNTTPUSHZ-OAHLLOKOSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)Cn2c[nH+]cc2C)s1 ZINC001491216805 1258795309 /nfs/dbraw/zinc/79/53/09/1258795309.db2.gz LAJJAZNTTPUSHZ-OAHLLOKOSA-N 2 2 347.488 2.127 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001491317662 1258947508 /nfs/dbraw/zinc/94/75/08/1258947508.db2.gz DAWYWZICFJVGCI-BCDMZGRMSA-N 2 2 344.503 2.174 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001491317662 1258947515 /nfs/dbraw/zinc/94/75/15/1258947515.db2.gz DAWYWZICFJVGCI-BCDMZGRMSA-N 2 2 344.503 2.174 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)c1ccc(F)c(F)c1 ZINC001488883584 1290275896 /nfs/dbraw/zinc/27/58/96/1290275896.db2.gz ZDZDGKKDQYTSPL-YDHLFZDLSA-N 2 2 348.397 2.407 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(Cl)nc1 ZINC001490352474 1291177276 /nfs/dbraw/zinc/17/72/76/1291177276.db2.gz ZJSIAEMILGGRSL-UHFFFAOYSA-N 2 2 335.839 2.029 10 0 EEAELP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnns3)C2)ccn1 ZINC000856605743 1293579171 /nfs/dbraw/zinc/57/91/71/1293579171.db2.gz YNUKFPASRHHUGN-INIZCTEOSA-N 2 2 347.488 2.427 10 0 EEAELP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cnns3)C2)ccn1 ZINC000856605743 1293579180 /nfs/dbraw/zinc/57/91/80/1293579180.db2.gz YNUKFPASRHHUGN-INIZCTEOSA-N 2 2 347.488 2.427 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cnns3)C2)ccn1 ZINC000856605743 1293579188 /nfs/dbraw/zinc/57/91/88/1293579188.db2.gz YNUKFPASRHHUGN-INIZCTEOSA-N 2 2 347.488 2.427 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cnns3)C2)ccn1 ZINC000856605743 1293579195 /nfs/dbraw/zinc/57/91/95/1293579195.db2.gz YNUKFPASRHHUGN-INIZCTEOSA-N 2 2 347.488 2.427 10 0 EEAELP CCCCOC(=O)CC[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000860026542 1294761834 /nfs/dbraw/zinc/76/18/34/1294761834.db2.gz OLTVOOKABQMDFE-UHFFFAOYSA-N 2 2 326.481 2.297 10 0 EEAELP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001276791477 1297745909 /nfs/dbraw/zinc/74/59/09/1297745909.db2.gz VLTAJZAVHHLDBJ-WMZOPIPTSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001277946071 1305235580 /nfs/dbraw/zinc/23/55/80/1305235580.db2.gz NUSUIUCTOZIFHW-MRXNPFEDSA-N 2 2 344.459 2.085 10 0 EEAELP Cc1[nH+]ccn1CCC[N@@H+](C)CN1CC[C@H](c2ccccc2)C1=O ZINC001116489462 1305889158 /nfs/dbraw/zinc/88/91/58/1305889158.db2.gz NVZCIEJQSRGYIB-GOSISDBHSA-N 2 2 326.444 2.487 10 0 EEAELP Cc1[nH+]ccn1CCC[N@H+](C)CN1CC[C@H](c2ccccc2)C1=O ZINC001116489462 1305889170 /nfs/dbraw/zinc/88/91/70/1305889170.db2.gz NVZCIEJQSRGYIB-GOSISDBHSA-N 2 2 326.444 2.487 10 0 EEAELP CCOCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001278460327 1310373902 /nfs/dbraw/zinc/37/39/02/1310373902.db2.gz QROXZMSUESNLGZ-ZHALLVOQSA-N 2 2 348.491 2.374 10 0 EEAELP CCOCCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@@H]12 ZINC001278460327 1310373909 /nfs/dbraw/zinc/37/39/09/1310373909.db2.gz QROXZMSUESNLGZ-ZHALLVOQSA-N 2 2 348.491 2.374 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001278618068 1317380545 /nfs/dbraw/zinc/38/05/45/1317380545.db2.gz GSWDFDUBOYISOX-SJORKVTESA-N 2 2 346.500 2.452 10 0 EEAELP CCCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCOCC1 ZINC001278711638 1317823710 /nfs/dbraw/zinc/82/37/10/1317823710.db2.gz XANJZUOGGMYRSH-UHFFFAOYSA-N 2 2 330.432 2.232 10 0 EEAELP CCCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278747156 1317956725 /nfs/dbraw/zinc/95/67/25/1317956725.db2.gz HJSLRXAIYMLXOP-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP CCCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001278747156 1317956730 /nfs/dbraw/zinc/95/67/30/1317956730.db2.gz HJSLRXAIYMLXOP-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP COc1ccccc1[C@@H](O)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1C ZINC001293569071 1328750799 /nfs/dbraw/zinc/75/07/99/1328750799.db2.gz VKILMRYDHSWVSV-QGZVFWFLSA-N 2 2 338.367 2.256 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)CC[C@H]1CCCC1(F)F ZINC001265057998 1322897119 /nfs/dbraw/zinc/89/71/19/1322897119.db2.gz DKNJBAXPYQRXJK-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC001265057998 1322897122 /nfs/dbraw/zinc/89/71/22/1322897122.db2.gz DKNJBAXPYQRXJK-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001265940478 1323503978 /nfs/dbraw/zinc/50/39/78/1323503978.db2.gz YXOBNMCEWFKHLR-SFHVURJKSA-N 2 2 340.471 2.094 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001266041016 1323591262 /nfs/dbraw/zinc/59/12/62/1323591262.db2.gz PXKTXGGFRXOUAN-INIZCTEOSA-N 2 2 346.500 2.406 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225205 1323798459 /nfs/dbraw/zinc/79/84/59/1323798459.db2.gz JXQFUJCQTOXNRD-DSLCMKTCSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001266225205 1323798462 /nfs/dbraw/zinc/79/84/62/1323798462.db2.gz JXQFUJCQTOXNRD-DSLCMKTCSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)no1 ZINC001276625196 1324862194 /nfs/dbraw/zinc/86/21/94/1324862194.db2.gz SMGODSWNMICVEQ-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)no1 ZINC001276625196 1324862197 /nfs/dbraw/zinc/86/21/97/1324862197.db2.gz SMGODSWNMICVEQ-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001276678692 1325160455 /nfs/dbraw/zinc/16/04/55/1325160455.db2.gz RBTVWOGFIRATAO-HHARLNAUSA-N 2 2 330.476 2.388 10 0 EEAELP CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)[C@@H]2C1 ZINC001276678692 1325160462 /nfs/dbraw/zinc/16/04/62/1325160462.db2.gz RBTVWOGFIRATAO-HHARLNAUSA-N 2 2 330.476 2.388 10 0 EEAELP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001276678692 1325160469 /nfs/dbraw/zinc/16/04/69/1325160469.db2.gz RBTVWOGFIRATAO-HHARLNAUSA-N 2 2 330.476 2.388 10 0 EEAELP CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)[C@@H]2C1 ZINC001276678692 1325160472 /nfs/dbraw/zinc/16/04/72/1325160472.db2.gz RBTVWOGFIRATAO-HHARLNAUSA-N 2 2 330.476 2.388 10 0 EEAELP COCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001281668815 1325385993 /nfs/dbraw/zinc/38/59/93/1325385993.db2.gz DYLUIZJMAPXVEF-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP COCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001281668815 1325386014 /nfs/dbraw/zinc/38/60/14/1325386014.db2.gz DYLUIZJMAPXVEF-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF ZINC001281911886 1325506400 /nfs/dbraw/zinc/50/64/00/1325506400.db2.gz BMMAEEYMCKQHJE-MORSLUCNSA-N 2 2 344.434 2.320 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF ZINC001281911886 1325506403 /nfs/dbraw/zinc/50/64/03/1325506403.db2.gz BMMAEEYMCKQHJE-MORSLUCNSA-N 2 2 344.434 2.320 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001282220903 1325655321 /nfs/dbraw/zinc/65/53/21/1325655321.db2.gz WRIYQIFWXYBRJM-IRXDYDNUSA-N 2 2 342.487 2.387 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]CCCc2cccc(F)c2)C1 ZINC001283111392 1325922350 /nfs/dbraw/zinc/92/23/50/1325922350.db2.gz QYKIXTCTYLRKRR-SAABIXHNSA-N 2 2 344.434 2.139 10 0 EEAELP CCn1ccc(C[N@@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)n1 ZINC001284154750 1326438370 /nfs/dbraw/zinc/43/83/70/1326438370.db2.gz QACKOBCUPAHEAX-AEFFLSMTSA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)n1 ZINC001284154750 1326438374 /nfs/dbraw/zinc/43/83/74/1326438374.db2.gz QACKOBCUPAHEAX-AEFFLSMTSA-N 2 2 349.523 2.104 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2nocc2C)CC1)[NH+](CC)CC ZINC001284957218 1326795078 /nfs/dbraw/zinc/79/50/78/1326795078.db2.gz IQPPJXHRAOIARC-SFHVURJKSA-N 2 2 348.491 2.352 10 0 EEAELP CC[C@@H](C(=O)NCC1=CC[N@@H+](Cc2nocc2C)CC1)[NH+](CC)CC ZINC001284957218 1326795081 /nfs/dbraw/zinc/79/50/81/1326795081.db2.gz IQPPJXHRAOIARC-SFHVURJKSA-N 2 2 348.491 2.352 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C[NH2+]CCCF)cc1F ZINC001285014898 1326829011 /nfs/dbraw/zinc/82/90/11/1326829011.db2.gz FXRQMXIXXLHYJV-UHFFFAOYSA-N 2 2 336.386 2.165 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CNC(=O)Cn2cc[nH+]c2)sc1C(C)(C)C ZINC001491694215 1330209004 /nfs/dbraw/zinc/20/90/04/1330209004.db2.gz OFBSIQWFHULKSG-LBPRGKRZSA-N 2 2 349.504 2.240 10 0 EEAELP Cc1cc(C)c(C(=O)N2CC[C@H](C[NH2+]CCOC(C)C)C2)c(C)[nH+]1 ZINC001491821074 1330263745 /nfs/dbraw/zinc/26/37/45/1330263745.db2.gz IKZCGUFKUDAAJS-QGZVFWFLSA-N 2 2 333.476 2.484 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001491888518 1330290617 /nfs/dbraw/zinc/29/06/17/1330290617.db2.gz GWJLMJFYUSRDQR-IRXDYDNUSA-N 2 2 348.491 2.176 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCCCc2ccccc2)C1 ZINC001316953655 1332013885 /nfs/dbraw/zinc/01/38/85/1332013885.db2.gz MXUKNDHDRQMGLF-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCCCc2ccccc2)C1 ZINC001316953655 1332013887 /nfs/dbraw/zinc/01/38/87/1332013887.db2.gz MXUKNDHDRQMGLF-IBGZPJMESA-N 2 2 340.471 2.487 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001317066181 1332067268 /nfs/dbraw/zinc/06/72/68/1332067268.db2.gz FMMUFNPLJPLBEL-SFHVURJKSA-N 2 2 340.471 2.176 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001317165909 1332107854 /nfs/dbraw/zinc/10/78/54/1332107854.db2.gz JXFLMIOBKOGOGW-KYLNKMBASA-N 2 2 338.455 2.425 10 0 EEAELP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001317188199 1332121723 /nfs/dbraw/zinc/12/17/23/1332121723.db2.gz CPJYWDGAHUGDCY-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001317188199 1332121727 /nfs/dbraw/zinc/12/17/27/1332121727.db2.gz CPJYWDGAHUGDCY-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CCCc1ccc(Cl)cc1 ZINC001317281857 1332163892 /nfs/dbraw/zinc/16/38/92/1332163892.db2.gz QCNQNMZTCASINV-ZDUSSCGKSA-N 2 2 334.851 2.333 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCCOc2ccccc2)C1 ZINC001317306120 1332172362 /nfs/dbraw/zinc/17/23/62/1332172362.db2.gz WYZHYRATKRDIOF-INIZCTEOSA-N 2 2 342.443 2.002 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001317335695 1332183756 /nfs/dbraw/zinc/18/37/56/1332183756.db2.gz FJSHAPSDFLPDMX-KBPBESRZSA-N 2 2 340.418 2.216 10 0 EEAELP CC[C@H](F)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001318232426 1332493833 /nfs/dbraw/zinc/49/38/33/1332493833.db2.gz IHIQBKDZKXAJPK-ULQDDVLXSA-N 2 2 325.472 2.286 10 0 EEAELP CC[C@H](F)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001318232426 1332493836 /nfs/dbraw/zinc/49/38/36/1332493836.db2.gz IHIQBKDZKXAJPK-ULQDDVLXSA-N 2 2 325.472 2.286 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001318299680 1332504482 /nfs/dbraw/zinc/50/44/82/1332504482.db2.gz KNHHAHPELXAZBC-SFHVURJKSA-N 2 2 340.471 2.474 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC001318299680 1332504487 /nfs/dbraw/zinc/50/44/87/1332504487.db2.gz KNHHAHPELXAZBC-SFHVURJKSA-N 2 2 340.471 2.474 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001318366066 1332517257 /nfs/dbraw/zinc/51/72/57/1332517257.db2.gz RSIVBKWBGFVNGX-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001318366066 1332517261 /nfs/dbraw/zinc/51/72/61/1332517261.db2.gz RSIVBKWBGFVNGX-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001318904277 1332620882 /nfs/dbraw/zinc/62/08/82/1332620882.db2.gz GFRSBIXQPHTORI-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)sc1C ZINC001320622916 1332923155 /nfs/dbraw/zinc/92/31/55/1332923155.db2.gz QRENNFGJLWDEAD-SNVBAGLBSA-N 2 2 335.477 2.019 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)c1cc(C[NH+](C)C)on1 ZINC001320777310 1332950232 /nfs/dbraw/zinc/95/02/32/1332950232.db2.gz KUUBMTDMNVEPQE-UHFFFAOYSA-N 2 2 348.422 2.127 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)co1 ZINC001321062265 1333008545 /nfs/dbraw/zinc/00/85/45/1333008545.db2.gz BPPVWFCDIIYHFU-AATRIKPKSA-N 2 2 334.464 2.010 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c[nH+]1 ZINC001321108211 1333020660 /nfs/dbraw/zinc/02/06/60/1333020660.db2.gz DQKDSIMAYZYEDZ-JOGGYFKDSA-N 2 2 348.491 2.004 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001321127063 1333025789 /nfs/dbraw/zinc/02/57/89/1333025789.db2.gz RVFZNVHOFLLSBR-FPLPWBNLSA-N 2 2 348.491 2.398 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001321127063 1333025795 /nfs/dbraw/zinc/02/57/95/1333025795.db2.gz RVFZNVHOFLLSBR-FPLPWBNLSA-N 2 2 348.491 2.398 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)C[C@@H](C)n2cc[nH+]c2)sn1 ZINC001321270946 1333060546 /nfs/dbraw/zinc/06/05/46/1333060546.db2.gz LNGHSHAQDWNOSM-VQTKUKTRSA-N 2 2 333.461 2.061 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001324628499 1333726953 /nfs/dbraw/zinc/72/69/53/1333726953.db2.gz MADHUTWKKMGVSG-BSCWQEJHSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001324628499 1333726955 /nfs/dbraw/zinc/72/69/55/1333726955.db2.gz MADHUTWKKMGVSG-BSCWQEJHSA-N 2 2 330.476 2.382 10 0 EEAELP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001325694504 1333941963 /nfs/dbraw/zinc/94/19/63/1333941963.db2.gz VBMTXLTYFMRYDP-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP CC[C@@H](C[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1)OC ZINC001326302018 1334063481 /nfs/dbraw/zinc/06/34/81/1334063481.db2.gz FEVWBTFDQKCRJK-HOCLYGCPSA-N 2 2 344.459 2.430 10 0 EEAELP COCCCCC[NH2+]C1(C)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001328048274 1334383974 /nfs/dbraw/zinc/38/39/74/1334383974.db2.gz CASLJTSNGYYKCN-UHFFFAOYSA-N 2 2 336.480 2.048 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001328255027 1334427175 /nfs/dbraw/zinc/42/71/75/1334427175.db2.gz GXSKQQFHNCBWDC-DOTOQJQBSA-N 2 2 349.475 2.028 10 0 EEAELP COCCCC[N@H+]1CC[C@@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@@H]1C ZINC001328255027 1334427177 /nfs/dbraw/zinc/42/71/77/1334427177.db2.gz GXSKQQFHNCBWDC-DOTOQJQBSA-N 2 2 349.475 2.028 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329460684 1334655286 /nfs/dbraw/zinc/65/52/86/1334655286.db2.gz RKRSKBUXJRMKSE-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329460684 1334655290 /nfs/dbraw/zinc/65/52/90/1334655290.db2.gz RKRSKBUXJRMKSE-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329460684 1334655295 /nfs/dbraw/zinc/65/52/95/1334655295.db2.gz RKRSKBUXJRMKSE-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001329460684 1334655303 /nfs/dbraw/zinc/65/53/03/1334655303.db2.gz RKRSKBUXJRMKSE-RYUDHWBXSA-N 2 2 347.290 2.363 10 0 EEAELP CC(C)=CC[NH+]1CC([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001330000997 1334758557 /nfs/dbraw/zinc/75/85/57/1334758557.db2.gz SKEYNYUWGXMUTJ-HNNXBMFYSA-N 2 2 330.476 2.165 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@H](C)[NH2+]CCOCC2CC2)c(C)[nH+]1 ZINC001331517550 1335027448 /nfs/dbraw/zinc/02/74/48/1335027448.db2.gz QEOPFDJTRFHDDK-HNNXBMFYSA-N 2 2 333.476 2.484 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001331926691 1335677885 /nfs/dbraw/zinc/67/78/85/1335677885.db2.gz NADSRPSGRBTJNF-NEPJUHHUSA-N 2 2 332.370 2.264 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001480516675 1338275872 /nfs/dbraw/zinc/27/58/72/1338275872.db2.gz WLTGKKPMQFLPMQ-AWEZNQCLSA-N 2 2 336.480 2.267 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001505716794 1342238520 /nfs/dbraw/zinc/23/85/20/1342238520.db2.gz LOGMHUCOGFUVMQ-ZIAGYGMSSA-N 2 2 329.448 2.154 10 0 EEAELP O=C(NC[C@@H]([NH2+]Cc1cncs1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001566715101 1342612135 /nfs/dbraw/zinc/61/21/35/1342612135.db2.gz SLAOPPVBDDGGDK-MRXNPFEDSA-N 2 2 341.440 2.318 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001567404838 1342755772 /nfs/dbraw/zinc/75/57/72/1342755772.db2.gz GIWKYKUGEJFNEU-NMBNSIPYSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001567404838 1342755775 /nfs/dbraw/zinc/75/57/75/1342755775.db2.gz GIWKYKUGEJFNEU-NMBNSIPYSA-N 2 2 330.476 2.240 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]CCCOC(C)C)ccn12 ZINC001567496837 1342769698 /nfs/dbraw/zinc/76/96/98/1342769698.db2.gz ZKGRNMHQPOJQCB-UHFFFAOYSA-N 2 2 332.448 2.119 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001569647684 1342916882 /nfs/dbraw/zinc/91/68/82/1342916882.db2.gz LJRBYPQRHCZFCZ-CGCIEXPJSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001569647684 1342916884 /nfs/dbraw/zinc/91/68/84/1342916884.db2.gz LJRBYPQRHCZFCZ-CGCIEXPJSA-N 2 2 330.476 2.461 10 0 EEAELP CCC[NH2+]C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001677051284 1357270825 /nfs/dbraw/zinc/27/08/25/1357270825.db2.gz ATLFBMUNNMDFIB-UONOGXRCSA-N 2 2 346.397 2.300 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]3C[C@@H]([NH2+]CCOC(C)C)C3)ccn12 ZINC001656135473 1354207163 /nfs/dbraw/zinc/20/71/63/1354207163.db2.gz OSXNZJMTGFTQSZ-WOVMCDHWSA-N 2 2 344.459 2.166 10 0 EEAELP CCc1cnc(C[N@H+](CCCNC(=O)[C@H]2CCCC[NH+]2C)C2CC2)o1 ZINC001660694821 1354518156 /nfs/dbraw/zinc/51/81/56/1354518156.db2.gz BKQZARIJBVXADL-QGZVFWFLSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[N@@H+](CCCNC(=O)[C@H]2CCCC[NH+]2C)C2CC2)o1 ZINC001660694821 1354518158 /nfs/dbraw/zinc/51/81/58/1354518158.db2.gz BKQZARIJBVXADL-QGZVFWFLSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+](CCCNC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)o1 ZINC001660694821 1354518160 /nfs/dbraw/zinc/51/81/60/1354518160.db2.gz BKQZARIJBVXADL-QGZVFWFLSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)o1 ZINC001660694821 1354518163 /nfs/dbraw/zinc/51/81/63/1354518163.db2.gz BKQZARIJBVXADL-QGZVFWFLSA-N 2 2 348.491 2.192 10 0 EEAELP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)CCc1c[nH]c[nH+]1 ZINC001663971912 1355065311 /nfs/dbraw/zinc/06/53/11/1355065311.db2.gz JACPFTDBSKYCMU-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)CCc1c[nH+]c[nH]1 ZINC001663971912 1355065314 /nfs/dbraw/zinc/06/53/14/1355065314.db2.gz JACPFTDBSKYCMU-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]CC[C@H]2CCCO2)CC1 ZINC001666258701 1355498423 /nfs/dbraw/zinc/49/84/23/1355498423.db2.gz FEMGNPWGRCOHRH-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1ncc(C[NH2+]CCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)s1 ZINC001666263354 1355499050 /nfs/dbraw/zinc/49/90/50/1355499050.db2.gz QFLOXQHMVRWERN-UHFFFAOYSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001666932470 1355617719 /nfs/dbraw/zinc/61/77/19/1355617719.db2.gz GNLMYJZBZBRICY-LLVKDONJSA-N 2 2 327.388 2.110 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001667762459 1355809439 /nfs/dbraw/zinc/80/94/39/1355809439.db2.gz AZNBWUGPPXBYGY-YPMHNXCESA-N 2 2 345.274 2.156 10 0 EEAELP CCN(CC[NH2+]CC[C@H]1CCCO1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001668430667 1355939661 /nfs/dbraw/zinc/93/96/61/1355939661.db2.gz BBLDGGJHQJRWLU-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001669063191 1356080709 /nfs/dbraw/zinc/08/07/09/1356080709.db2.gz GMOICHWCFCKGKU-DWTRPJMMSA-N 2 2 341.459 2.308 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001669595313 1356180530 /nfs/dbraw/zinc/18/05/30/1356180530.db2.gz IZRDLDKNHSGMJB-FUHWJXTLSA-N 2 2 340.471 2.173 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1cccc(F)c1F ZINC001670322370 1356319773 /nfs/dbraw/zinc/31/97/73/1356319773.db2.gz CMHPSAQVNGRWCV-UHFFFAOYSA-N 2 2 336.386 2.177 10 0 EEAELP C[C@@H](O)CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001672814678 1356590527 /nfs/dbraw/zinc/59/05/27/1356590527.db2.gz BKLGOUHIJNNMRG-HUUCEWRRSA-N 2 2 344.459 2.166 10 0 EEAELP CC(C)C[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCC2CC2)C1)n1cc[nH+]c1 ZINC001673283880 1356661205 /nfs/dbraw/zinc/66/12/05/1356661205.db2.gz DHAIWHCFNOKMPC-ROUUACIJSA-N 2 2 348.491 2.087 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)N(C)C(=O)CCn1cc[nH+]c1 ZINC001698838819 1405100878 /nfs/dbraw/zinc/10/08/78/1405100878.db2.gz YCKBBULTSCUILL-OLZOCXBDSA-N 2 2 347.290 2.294 10 0 EEAELP CCCC[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@H]1C ZINC001698899209 1405139943 /nfs/dbraw/zinc/13/99/43/1405139943.db2.gz UBEZRCNWRKKLGE-WBVHZDCISA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H](CC[NH2+]CCC[C@@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001699121731 1405278188 /nfs/dbraw/zinc/27/81/88/1405278188.db2.gz VFRXMOZYKDQINE-JKSUJKDBSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699316286 1405332060 /nfs/dbraw/zinc/33/20/60/1405332060.db2.gz YLCHZEAOMFPBES-KJPDOMRESA-N 2 2 334.464 2.010 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH+]cn1C ZINC001699545457 1405380044 /nfs/dbraw/zinc/38/00/44/1405380044.db2.gz RAWFEMYDLITDCC-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC[N@@H+]1C ZINC000920835769 770877502 /nfs/dbraw/zinc/87/75/02/770877502.db2.gz MYZWCMOVOHVUDC-OIISXLGYSA-N 2 2 341.459 2.096 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC[N@H+]1C ZINC000920835769 770877510 /nfs/dbraw/zinc/87/75/10/770877510.db2.gz MYZWCMOVOHVUDC-OIISXLGYSA-N 2 2 341.459 2.096 10 0 EEAELP CC[N@H+](Cc1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1)C(C)C ZINC000585131591 786658240 /nfs/dbraw/zinc/65/82/40/786658240.db2.gz ZWPXEIAXCBMSRV-KRWDZBQOSA-N 2 2 344.459 2.114 10 0 EEAELP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1)C(C)C ZINC000585131591 786658249 /nfs/dbraw/zinc/65/82/49/786658249.db2.gz ZWPXEIAXCBMSRV-KRWDZBQOSA-N 2 2 344.459 2.114 10 0 EEAELP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CC2(CC[NH+]2Cc2ccccc2)C1 ZINC000910776802 787036201 /nfs/dbraw/zinc/03/62/01/787036201.db2.gz FGUWMBQXOCSMGG-RTBURBONSA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@H]1CC[C@H]2CCCC[N@H+]21)N1CC2(CC[NH+]2Cc2ccccc2)C1 ZINC000910776802 787036212 /nfs/dbraw/zinc/03/62/12/787036212.db2.gz FGUWMBQXOCSMGG-RTBURBONSA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@H]1CC[C@H]2CCCC[NH+]21)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776802 787036223 /nfs/dbraw/zinc/03/62/23/787036223.db2.gz FGUWMBQXOCSMGG-RTBURBONSA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@H]1CC[C@H]2CCCC[NH+]21)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776802 787036228 /nfs/dbraw/zinc/03/62/28/787036228.db2.gz FGUWMBQXOCSMGG-RTBURBONSA-N 2 2 339.483 2.490 10 0 EEAELP CN(C(=O)C(C)(C)C(C)(F)F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823267390 787646713 /nfs/dbraw/zinc/64/67/13/787646713.db2.gz UNEFUISYORHQLH-CQSZACIVSA-N 2 2 331.451 2.295 10 0 EEAELP CN(C(=O)C(C)(C)C(C)(F)F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823267390 787646717 /nfs/dbraw/zinc/64/67/17/787646717.db2.gz UNEFUISYORHQLH-CQSZACIVSA-N 2 2 331.451 2.295 10 0 EEAELP C[NH+](C)C1(C)CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000913393305 788849545 /nfs/dbraw/zinc/84/95/45/788849545.db2.gz VGRSVDOYXCOJSM-UHFFFAOYSA-N 2 2 326.444 2.488 10 0 EEAELP C[NH+](C)C1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900634118 794079792 /nfs/dbraw/zinc/07/97/92/794079792.db2.gz SDSZYTVLPJJPHO-UHFFFAOYSA-N 2 2 341.459 2.161 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1)n1cc[nH+]c1 ZINC001436920040 1088580374 /nfs/dbraw/zinc/58/03/74/1088580374.db2.gz ZWSNLLBIXILKKL-LEUOFYLZSA-N 2 2 348.491 2.012 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(CF)cc1 ZINC001437174418 1089205250 /nfs/dbraw/zinc/20/52/50/1089205250.db2.gz XHQHZERRCSIWTQ-RHSMWYFYSA-N 2 2 344.434 2.210 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(F)c1Cl ZINC001437646989 1090168030 /nfs/dbraw/zinc/16/80/30/1090168030.db2.gz GGJIQIQELGOKJL-CQSZACIVSA-N 2 2 341.858 2.369 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1cccc(F)c1Cl ZINC001437646989 1090168031 /nfs/dbraw/zinc/16/80/31/1090168031.db2.gz GGJIQIQELGOKJL-CQSZACIVSA-N 2 2 341.858 2.369 10 0 EEAELP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1cccc(F)c1Cl ZINC001437646989 1090168033 /nfs/dbraw/zinc/16/80/33/1090168033.db2.gz GGJIQIQELGOKJL-CQSZACIVSA-N 2 2 341.858 2.369 10 0 EEAELP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)Cc1cccc(F)c1Cl ZINC001437646989 1090168036 /nfs/dbraw/zinc/16/80/36/1090168036.db2.gz GGJIQIQELGOKJL-CQSZACIVSA-N 2 2 341.858 2.369 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1F ZINC001437674591 1090206304 /nfs/dbraw/zinc/20/63/04/1090206304.db2.gz VYWXEEQWQVVSMW-KRWDZBQOSA-N 2 2 344.434 2.420 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1F ZINC001437674591 1090206306 /nfs/dbraw/zinc/20/63/06/1090206306.db2.gz VYWXEEQWQVVSMW-KRWDZBQOSA-N 2 2 344.434 2.420 10 0 EEAELP CC[C@H](F)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001437867470 1090447066 /nfs/dbraw/zinc/44/70/66/1090447066.db2.gz CYMLYEVQYQNXAX-IRXDYDNUSA-N 2 2 332.423 2.387 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001438238036 1090717708 /nfs/dbraw/zinc/71/77/08/1090717708.db2.gz XWXHUCGUDWRHMI-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001438238036 1090717712 /nfs/dbraw/zinc/71/77/12/1090717712.db2.gz XWXHUCGUDWRHMI-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001438440530 1090942323 /nfs/dbraw/zinc/94/23/23/1090942323.db2.gz PVHZVWDOOYNPOT-FZKCQIBNSA-N 2 2 336.455 2.211 10 0 EEAELP C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445816351 1091694204 /nfs/dbraw/zinc/69/42/04/1091694204.db2.gz KIPWVCVZWDNKII-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445816351 1091694209 /nfs/dbraw/zinc/69/42/09/1091694209.db2.gz KIPWVCVZWDNKII-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445816351 1091694219 /nfs/dbraw/zinc/69/42/19/1091694219.db2.gz KIPWVCVZWDNKII-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445816351 1091694224 /nfs/dbraw/zinc/69/42/24/1091694224.db2.gz KIPWVCVZWDNKII-JKSUJKDBSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001439323904 1091999222 /nfs/dbraw/zinc/99/92/22/1091999222.db2.gz HCTAJBLLGHKVEN-GUYCJALGSA-N 2 2 333.480 2.027 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CCC1)NC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001439323904 1091999228 /nfs/dbraw/zinc/99/92/28/1091999228.db2.gz HCTAJBLLGHKVEN-GUYCJALGSA-N 2 2 333.480 2.027 10 0 EEAELP C[C@@H](C[NH+](C)CC1CCC1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001439323904 1091999234 /nfs/dbraw/zinc/99/92/34/1091999234.db2.gz HCTAJBLLGHKVEN-GUYCJALGSA-N 2 2 333.480 2.027 10 0 EEAELP C[C@@H](C[NH+](C)CC1CCC1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001439323904 1091999236 /nfs/dbraw/zinc/99/92/36/1091999236.db2.gz HCTAJBLLGHKVEN-GUYCJALGSA-N 2 2 333.480 2.027 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001446068427 1092086376 /nfs/dbraw/zinc/08/63/76/1092086376.db2.gz CCFNNUZNBLPHIB-OAHLLOKOSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001446068427 1092086387 /nfs/dbraw/zinc/08/63/87/1092086387.db2.gz CCFNNUZNBLPHIB-OAHLLOKOSA-N 2 2 348.491 2.139 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1)c1ccc(F)cc1 ZINC001446183445 1092255928 /nfs/dbraw/zinc/25/59/28/1092255928.db2.gz NKLDCUBAYDHDIT-CYBMUJFWSA-N 2 2 330.407 2.481 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CC1)c1ccc(F)cc1 ZINC001446183445 1092255942 /nfs/dbraw/zinc/25/59/42/1092255942.db2.gz NKLDCUBAYDHDIT-CYBMUJFWSA-N 2 2 330.407 2.481 10 0 EEAELP CCc1onc(C)c1C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001446248351 1092370056 /nfs/dbraw/zinc/37/00/56/1092370056.db2.gz DEJGSPZMNDQJPB-ZDUSSCGKSA-N 2 2 345.447 2.132 10 0 EEAELP CCc1ccccc1CC[NH+]1CC(N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001439742620 1092702653 /nfs/dbraw/zinc/70/26/53/1092702653.db2.gz WDNGAPNFBGXODT-UHFFFAOYSA-N 2 2 340.471 2.221 10 0 EEAELP Cc1nocc1C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001439908626 1092975588 /nfs/dbraw/zinc/97/55/88/1092975588.db2.gz YVUXQICCISRQFV-SFHVURJKSA-N 2 2 345.447 2.012 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H]2CC(C)(C)CO2)C1)n1cc[nH+]c1 ZINC001440304168 1093431535 /nfs/dbraw/zinc/43/15/35/1093431535.db2.gz MBPBXEQOCBPISX-MWDXBVQZSA-N 2 2 348.491 2.134 10 0 EEAELP Cc1cccc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001440363404 1093528768 /nfs/dbraw/zinc/52/87/68/1093528768.db2.gz SSWYHECBHAPYPT-QAQDUYKDSA-N 2 2 326.444 2.185 10 0 EEAELP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001448538785 1093575781 /nfs/dbraw/zinc/57/57/81/1093575781.db2.gz SQYPDQUMYNYPAS-JKSUJKDBSA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001448538785 1093575786 /nfs/dbraw/zinc/57/57/86/1093575786.db2.gz SQYPDQUMYNYPAS-JKSUJKDBSA-N 2 2 332.492 2.414 10 0 EEAELP CCC1([NH2+]C[C@H]2CC[C@H](C)O2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001440527049 1093783104 /nfs/dbraw/zinc/78/31/04/1093783104.db2.gz AZABJRWTMZDCLF-DLBZAZTESA-N 2 2 348.491 2.202 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(F)cc1 ZINC001440664100 1093931739 /nfs/dbraw/zinc/93/17/39/1093931739.db2.gz NCWUKKLYXIYIFF-HOCLYGCPSA-N 2 2 344.434 2.269 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001449028321 1094036319 /nfs/dbraw/zinc/03/63/19/1094036319.db2.gz ZZIYJZOMLHUWMX-HKUYNNGSSA-N 2 2 348.491 2.202 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12 ZINC001449028321 1094036325 /nfs/dbraw/zinc/03/63/25/1094036325.db2.gz ZZIYJZOMLHUWMX-HKUYNNGSSA-N 2 2 348.491 2.202 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001440857724 1094118651 /nfs/dbraw/zinc/11/86/51/1094118651.db2.gz WKPDAUMZOSLNJR-MNOVXSKESA-N 2 2 338.814 2.428 10 0 EEAELP CC[NH+]1CCC(C(=O)N[C@H](C)Cn2cc[nH+]c2)(c2ccccc2)CC1 ZINC001441369318 1094897235 /nfs/dbraw/zinc/89/72/35/1094897235.db2.gz KHQGRBJHTHLEIT-QGZVFWFLSA-N 2 2 340.471 2.442 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]([NH2+]Cc1cncs1)C(C)C ZINC001441422134 1095012064 /nfs/dbraw/zinc/01/20/64/1095012064.db2.gz SZBMKUBELLMFBZ-CQSZACIVSA-N 2 2 335.477 2.038 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001441478037 1095146872 /nfs/dbraw/zinc/14/68/72/1095146872.db2.gz SRVDVTBZQFBBKY-SFHVURJKSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001441594863 1095433143 /nfs/dbraw/zinc/43/31/43/1095433143.db2.gz CYVFMEMBOBHJJO-CHWSQXEVSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1C1CC1 ZINC001441643660 1095567968 /nfs/dbraw/zinc/56/79/68/1095567968.db2.gz RDGVJGVOSZQBNT-OAHLLOKOSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC[C@@H]1CCCCO1 ZINC001441904619 1096068530 /nfs/dbraw/zinc/06/85/30/1096068530.db2.gz HPIVJWPIVSWWER-GJZGRUSLSA-N 2 2 330.432 2.001 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C(C)(C)C ZINC001442165367 1096425539 /nfs/dbraw/zinc/42/55/39/1096425539.db2.gz RADZHOQISYWSNV-INIZCTEOSA-N 2 2 347.463 2.132 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC(C)(C)C1 ZINC001442275537 1096584799 /nfs/dbraw/zinc/58/47/99/1096584799.db2.gz OSBUTLTYLCJKFX-GDBMZVCRSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H](C[NH2+]CCCF)C1 ZINC001479567311 1098611962 /nfs/dbraw/zinc/61/19/62/1098611962.db2.gz JTQWFPVSCLWIQN-VYDXJSESSA-N 2 2 336.455 2.022 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@@H+]1Cc1cnoc1C ZINC001479642326 1098672715 /nfs/dbraw/zinc/67/27/15/1098672715.db2.gz JKSHTNLTCRSARL-RRQGHBQHSA-N 2 2 345.447 2.300 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@H+]1Cc1cnoc1C ZINC001479642326 1098672722 /nfs/dbraw/zinc/67/27/22/1098672722.db2.gz JKSHTNLTCRSARL-RRQGHBQHSA-N 2 2 345.447 2.300 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1nocc1C ZINC001479645411 1098675500 /nfs/dbraw/zinc/67/55/00/1098675500.db2.gz PMBZNJIQXUDUIM-UAGQMJEPSA-N 2 2 336.480 2.038 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1nocc1C ZINC001479645411 1098675504 /nfs/dbraw/zinc/67/55/04/1098675504.db2.gz PMBZNJIQXUDUIM-UAGQMJEPSA-N 2 2 336.480 2.038 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1ccncc1Cl ZINC001444329749 1098893786 /nfs/dbraw/zinc/89/37/86/1098893786.db2.gz PQIMUJRTVPNKEZ-MRVWCRGKSA-N 2 2 347.850 2.104 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]Cc1ccncc1Cl ZINC001444329749 1098893799 /nfs/dbraw/zinc/89/37/99/1098893799.db2.gz PQIMUJRTVPNKEZ-MRVWCRGKSA-N 2 2 347.850 2.104 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001444415842 1099029503 /nfs/dbraw/zinc/02/95/03/1099029503.db2.gz AWEOVVDFAGAQHP-SUMWQHHRSA-N 2 2 330.407 2.052 10 0 EEAELP C[C@@H]([NH2+]CCOC1CCC1)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001479827458 1099107828 /nfs/dbraw/zinc/10/78/28/1099107828.db2.gz SBWPPUXJAKNMDR-AEFFLSMTSA-N 2 2 348.491 2.202 10 0 EEAELP CCc1ccccc1C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001480233854 1099861043 /nfs/dbraw/zinc/86/10/43/1099861043.db2.gz DHAHQVBBRCBUGV-HDICACEKSA-N 2 2 340.471 2.352 10 0 EEAELP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001480522829 1100353187 /nfs/dbraw/zinc/35/31/87/1100353187.db2.gz RNSSSYHCYKJEEE-TWZRTHNCSA-N 2 2 337.508 2.080 10 0 EEAELP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001480522829 1100353196 /nfs/dbraw/zinc/35/31/96/1100353196.db2.gz RNSSSYHCYKJEEE-TWZRTHNCSA-N 2 2 337.508 2.080 10 0 EEAELP COc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C ZINC001480552117 1100390416 /nfs/dbraw/zinc/39/04/16/1100390416.db2.gz DSIFSFWLKVWGDP-CABCVRRESA-N 2 2 344.459 2.200 10 0 EEAELP COc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C ZINC001480552117 1100390419 /nfs/dbraw/zinc/39/04/19/1100390419.db2.gz DSIFSFWLKVWGDP-CABCVRRESA-N 2 2 344.459 2.200 10 0 EEAELP CCO[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC1 ZINC001446450301 1100871246 /nfs/dbraw/zinc/87/12/46/1100871246.db2.gz FGSIHCPKDDZHPC-HOTGVXAUSA-N 2 2 348.491 2.083 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001446565538 1101048966 /nfs/dbraw/zinc/04/89/66/1101048966.db2.gz RMJDURWYMAYOLB-LJQANCHMSA-N 2 2 333.451 2.311 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001446565538 1101048974 /nfs/dbraw/zinc/04/89/74/1101048974.db2.gz RMJDURWYMAYOLB-LJQANCHMSA-N 2 2 333.451 2.311 10 0 EEAELP CC(C)c1cccc(C[N@H+](C)CCN(C)C(=O)Cc2c[nH+]cn2C)n1 ZINC001496816191 1101522502 /nfs/dbraw/zinc/52/25/02/1101522502.db2.gz DETRSWBWSNQVJV-UHFFFAOYSA-N 2 2 343.475 2.071 10 0 EEAELP CC(C)c1cccc(C[N@@H+](C)CCN(C)C(=O)Cc2c[nH+]cn2C)n1 ZINC001496816191 1101522510 /nfs/dbraw/zinc/52/25/10/1101522510.db2.gz DETRSWBWSNQVJV-UHFFFAOYSA-N 2 2 343.475 2.071 10 0 EEAELP CC(C)C[C@H](C(=O)NCCN1CCC([NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001446997317 1101726054 /nfs/dbraw/zinc/72/60/54/1101726054.db2.gz RNMMBIJLSQIPCO-GOSISDBHSA-N 2 2 349.523 2.049 10 0 EEAELP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC001447083396 1101954565 /nfs/dbraw/zinc/95/45/65/1101954565.db2.gz UZIWHHXTGBEHJI-GJYPPUQNSA-N 2 2 345.487 2.211 10 0 EEAELP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC001447083396 1101954574 /nfs/dbraw/zinc/95/45/74/1101954574.db2.gz UZIWHHXTGBEHJI-GJYPPUQNSA-N 2 2 345.487 2.211 10 0 EEAELP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC001447083396 1101954580 /nfs/dbraw/zinc/95/45/80/1101954580.db2.gz UZIWHHXTGBEHJI-GJYPPUQNSA-N 2 2 345.487 2.211 10 0 EEAELP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)C[C@H]1C ZINC001447083396 1101954588 /nfs/dbraw/zinc/95/45/88/1101954588.db2.gz UZIWHHXTGBEHJI-GJYPPUQNSA-N 2 2 345.487 2.211 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497218308 1102142727 /nfs/dbraw/zinc/14/27/27/1102142727.db2.gz OZRPFLMBAFNFTR-DLBZAZTESA-N 2 2 340.471 2.439 10 0 EEAELP CCN(CC[NH2+][C@H](C)c1cccc(OC)c1)C(=O)Cc1c[nH+]c[nH]1 ZINC001497461329 1102524750 /nfs/dbraw/zinc/52/47/50/1102524750.db2.gz WHUZTLZWUOLUIA-CQSZACIVSA-N 2 2 330.432 2.160 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C)c(C)o1 ZINC001497681353 1102892597 /nfs/dbraw/zinc/89/25/97/1102892597.db2.gz QPSRCYZACXUZDG-BQYQJAHWSA-N 2 2 336.480 2.031 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccon1)[NH+](CC)CC ZINC001447772332 1103285431 /nfs/dbraw/zinc/28/54/31/1103285431.db2.gz NUYPKJBZKJXKSW-DLBZAZTESA-N 2 2 336.480 2.218 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)Cc1ccon1)[NH+](CC)CC ZINC001447772332 1103285443 /nfs/dbraw/zinc/28/54/43/1103285443.db2.gz NUYPKJBZKJXKSW-DLBZAZTESA-N 2 2 336.480 2.218 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC1CC(C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001447825160 1103396579 /nfs/dbraw/zinc/39/65/79/1103396579.db2.gz TXAVOMLDVOCSAH-MDWZMJQESA-N 2 2 345.274 2.467 10 0 EEAELP CCCc1nc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2c[nH+]cc2C)cs1 ZINC001447886704 1103519000 /nfs/dbraw/zinc/51/90/00/1103519000.db2.gz ZYBVAYHYBOFHSK-UONOGXRCSA-N 2 2 349.504 2.284 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001494327240 1103899895 /nfs/dbraw/zinc/89/98/95/1103899895.db2.gz TWUPDGXPEXDTNI-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001494327240 1103899907 /nfs/dbraw/zinc/89/99/07/1103899907.db2.gz TWUPDGXPEXDTNI-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001494327240 1103899919 /nfs/dbraw/zinc/89/99/19/1103899919.db2.gz TWUPDGXPEXDTNI-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001494327240 1103899932 /nfs/dbraw/zinc/89/99/32/1103899932.db2.gz TWUPDGXPEXDTNI-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCO[C@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1)C1CC1 ZINC001494398593 1103983734 /nfs/dbraw/zinc/98/37/34/1103983734.db2.gz IVMGPNVRZZBTCY-RTBURBONSA-N 2 2 349.519 2.009 10 0 EEAELP CCO[C@H](C[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1)C1CC1 ZINC001494398593 1103983738 /nfs/dbraw/zinc/98/37/38/1103983738.db2.gz IVMGPNVRZZBTCY-RTBURBONSA-N 2 2 349.519 2.009 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001448147696 1104109203 /nfs/dbraw/zinc/10/92/03/1104109203.db2.gz YIXQJFIJRFMPAJ-PBHICJAKSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)o1 ZINC001448147696 1104109207 /nfs/dbraw/zinc/10/92/07/1104109207.db2.gz YIXQJFIJRFMPAJ-PBHICJAKSA-N 2 2 336.480 2.040 10 0 EEAELP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC2)NC(=O)Cn1cc[nH+]c1 ZINC001497997230 1106757391 /nfs/dbraw/zinc/75/73/91/1106757391.db2.gz LXYMRWSYFBWRLF-HUUCEWRRSA-N 2 2 326.444 2.227 10 0 EEAELP Cc1nocc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480711216 1106936200 /nfs/dbraw/zinc/93/62/00/1106936200.db2.gz VRODSHIIRQWLBH-IAGOWNOFSA-N 2 2 345.447 2.177 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]Cc1c(C)cccc1C ZINC001493589673 1108366006 /nfs/dbraw/zinc/36/60/06/1108366006.db2.gz GUMGRCAEKKAZJA-UHFFFAOYSA-N 2 2 341.455 2.498 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001479259920 1110670208 /nfs/dbraw/zinc/67/02/08/1110670208.db2.gz SCTKYIZJHJIQCS-MRXNPFEDSA-N 2 2 345.447 2.001 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001479259920 1110670209 /nfs/dbraw/zinc/67/02/09/1110670209.db2.gz SCTKYIZJHJIQCS-MRXNPFEDSA-N 2 2 345.447 2.001 10 0 EEAELP CC[NH+](CC)C[C@H](F)C(=O)N(C)C1C[NH+](CCc2ccccc2)C1 ZINC001499673177 1112439631 /nfs/dbraw/zinc/43/96/31/1112439631.db2.gz GDPRXCGDCBRDKI-SFHVURJKSA-N 2 2 335.467 2.052 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]CCn2cccn2)c(C)[nH+]1 ZINC001499912526 1112537678 /nfs/dbraw/zinc/53/76/78/1112537678.db2.gz NCHVXQKXNKGYOI-QGZVFWFLSA-N 2 2 341.459 2.098 10 0 EEAELP COCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501054145 1113182305 /nfs/dbraw/zinc/18/23/05/1113182305.db2.gz OOIHDMNNKUDULO-UONOGXRCSA-N 2 2 330.432 2.040 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001502064576 1113574707 /nfs/dbraw/zinc/57/47/07/1113574707.db2.gz NRTQPPGHOJDRPZ-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@@H](CC(=O)NC1CC(C[NH2+]Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001505522124 1114033936 /nfs/dbraw/zinc/03/39/36/1114033936.db2.gz VVRYEKKQVITTIX-CBCUQQMYSA-N 2 2 345.422 2.053 10 0 EEAELP C[C@@H]([NH2+]CCC(F)(F)F)[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001505606366 1114081687 /nfs/dbraw/zinc/08/16/87/1114081687.db2.gz QPOJZCNAXQSGRQ-NEPJUHHUSA-N 2 2 346.397 2.197 10 0 EEAELP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001505819926 1114213249 /nfs/dbraw/zinc/21/32/49/1114213249.db2.gz CXYGNZCSEKGUNY-HUUCEWRRSA-N 2 2 338.471 2.268 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)Cc1ccc(F)cc1 ZINC001505948682 1114295122 /nfs/dbraw/zinc/29/51/22/1114295122.db2.gz SSWWLLBWDKVMMN-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC001505948682 1114295124 /nfs/dbraw/zinc/29/51/24/1114295124.db2.gz SSWWLLBWDKVMMN-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP CC1(C)C[N@H+](CCC(F)(F)F)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001506745639 1114858564 /nfs/dbraw/zinc/85/85/64/1114858564.db2.gz WKWMZLCBLCVZHJ-LBPRGKRZSA-N 2 2 332.370 2.052 10 0 EEAELP CC1(C)C[N@@H+](CCC(F)(F)F)C[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001506745639 1114858565 /nfs/dbraw/zinc/85/85/65/1114858565.db2.gz WKWMZLCBLCVZHJ-LBPRGKRZSA-N 2 2 332.370 2.052 10 0 EEAELP CCCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001506842900 1114906885 /nfs/dbraw/zinc/90/68/85/1114906885.db2.gz XURJAXOZIWMJBF-WBVHZDCISA-N 2 2 344.459 2.344 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001506858963 1114925529 /nfs/dbraw/zinc/92/55/29/1114925529.db2.gz REGITHMBANPRHH-OKZBNKHCSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001506858963 1114925531 /nfs/dbraw/zinc/92/55/31/1114925531.db2.gz REGITHMBANPRHH-OKZBNKHCSA-N 2 2 344.503 2.370 10 0 EEAELP CCc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001506899433 1114959157 /nfs/dbraw/zinc/95/91/57/1114959157.db2.gz VQNVHVBCZUYGAT-DZKIICNBSA-N 2 2 345.447 2.069 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1)n1cc[nH+]c1 ZINC001507027479 1115064536 /nfs/dbraw/zinc/06/45/36/1115064536.db2.gz QKXSWKCWMHQEPD-YJBOKZPZSA-N 2 2 341.459 2.256 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001507093397 1115104284 /nfs/dbraw/zinc/10/42/84/1115104284.db2.gz VVTFWSOREDFJNK-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1cccc(F)c1 ZINC001507146277 1115132368 /nfs/dbraw/zinc/13/23/68/1115132368.db2.gz BZJUVMLGBFJWDI-ZDUSSCGKSA-N 2 2 332.423 2.463 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CCOC1CCCCCC1 ZINC001507163993 1115142816 /nfs/dbraw/zinc/14/28/16/1115142816.db2.gz OLQLQPGMOKZMPA-INIZCTEOSA-N 2 2 336.480 2.059 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CC[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001507403507 1115253104 /nfs/dbraw/zinc/25/31/04/1115253104.db2.gz OTPVCHYJPFPHND-QDXHDONZSA-N 2 2 337.851 2.260 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567913763 1124175051 /nfs/dbraw/zinc/17/50/51/1124175051.db2.gz IQJBGWWNPFYCLM-UIZHIOIMSA-N 2 2 330.476 2.335 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001567913763 1124175055 /nfs/dbraw/zinc/17/50/55/1124175055.db2.gz IQJBGWWNPFYCLM-UIZHIOIMSA-N 2 2 330.476 2.335 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001568007987 1124227311 /nfs/dbraw/zinc/22/73/11/1124227311.db2.gz JSTMLEBUXISHJD-UHFFFAOYSA-N 2 2 330.476 2.482 10 0 EEAELP C[C@@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)CCc1[nH+]ccn1C ZINC001568659937 1124674635 /nfs/dbraw/zinc/67/46/35/1124674635.db2.gz OROQIAUTZSQBAT-UTEVDWOZSA-N 2 2 333.263 2.156 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC/C=C/C[NH2+]Cc1ccccc1C ZINC001568870310 1124897735 /nfs/dbraw/zinc/89/77/35/1124897735.db2.gz AYRXXJYSVVQWFX-AATRIKPKSA-N 2 2 339.439 2.403 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001568875655 1124902065 /nfs/dbraw/zinc/90/20/65/1124902065.db2.gz LGNLBXMCQMRFRX-IMLGJKEDSA-N 2 2 342.487 2.288 10 0 EEAELP CC(C)C[C@H](C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001568875597 1124902137 /nfs/dbraw/zinc/90/21/37/1124902137.db2.gz LESHZWSJNJMNNV-XPQDNOAISA-N 2 2 332.492 2.390 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccc(Cl)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001569083564 1125087082 /nfs/dbraw/zinc/08/70/82/1125087082.db2.gz UBNXHWZHGMYIJW-IBUXWKBASA-N 2 2 332.835 2.413 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cn1 ZINC001569244186 1125190627 /nfs/dbraw/zinc/19/06/27/1125190627.db2.gz GUCXFMWLJYNJQB-HOTGVXAUSA-N 2 2 344.463 2.132 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000174307323 231173524 /nfs/dbraw/zinc/17/35/24/231173524.db2.gz TZFAQXINDRLNFM-DOTOQJQBSA-N 2 2 341.459 2.496 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1Cl ZINC000262994657 282243936 /nfs/dbraw/zinc/24/39/36/282243936.db2.gz OELABDFJRODCER-QWHCGFSZSA-N 2 2 331.794 2.056 10 0 EEAELP FC(F)(F)Oc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422799523 240231959 /nfs/dbraw/zinc/23/19/59/240231959.db2.gz XCTSRBDUSNCFPJ-GJZGRUSLSA-N 2 2 330.350 2.442 10 0 EEAELP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(S(C)(=O)=O)cc1 ZINC000423189050 240397958 /nfs/dbraw/zinc/39/79/58/240397958.db2.gz OSIZXTKBLRYPHQ-HNNXBMFYSA-N 2 2 347.484 2.316 10 0 EEAELP C[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[NH+]1CCSCC1 ZINC000447725820 242309275 /nfs/dbraw/zinc/30/92/75/242309275.db2.gz DTQHFJPWEKVTGH-BBRMVZONSA-N 2 2 349.500 2.448 10 0 EEAELP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000262177466 284004383 /nfs/dbraw/zinc/00/43/83/284004383.db2.gz YTJWHLMKQFRPEQ-ZQIUZPCESA-N 2 2 339.505 2.144 10 0 EEAELP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000262177466 284004384 /nfs/dbraw/zinc/00/43/84/284004384.db2.gz YTJWHLMKQFRPEQ-ZQIUZPCESA-N 2 2 339.505 2.144 10 0 EEAELP O=C(C[NH2+]C1(C2CCC2)CCC1)N1CC[NH+](Cc2ccco2)CC1 ZINC000459757919 245238482 /nfs/dbraw/zinc/23/84/82/245238482.db2.gz HDEJELOPMFGRHG-UHFFFAOYSA-N 2 2 331.460 2.236 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095466000 218404802 /nfs/dbraw/zinc/40/48/02/218404802.db2.gz KEYNKXAIHAJYQA-XHSDSOJGSA-N 2 2 342.443 2.159 10 0 EEAELP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C(C)(C)C(N)=O)CC1 ZINC000274073291 256351266 /nfs/dbraw/zinc/35/12/66/256351266.db2.gz CHKBTUROHYDRPH-UHFFFAOYSA-N 2 2 326.444 2.238 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH+](C)C ZINC000121192765 292261850 /nfs/dbraw/zinc/26/18/50/292261850.db2.gz FOUQTVHXLIYYTR-CRAIPNDOSA-N 2 2 332.492 2.011 10 0 EEAELP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH+](C)C ZINC000121192765 292261853 /nfs/dbraw/zinc/26/18/53/292261853.db2.gz FOUQTVHXLIYYTR-CRAIPNDOSA-N 2 2 332.492 2.011 10 0 EEAELP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263057126 152365867 /nfs/dbraw/zinc/36/58/67/152365867.db2.gz UZCOYONMMOVIQG-JKSUJKDBSA-N 2 2 337.414 2.155 10 0 EEAELP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263057126 152365868 /nfs/dbraw/zinc/36/58/68/152365868.db2.gz UZCOYONMMOVIQG-JKSUJKDBSA-N 2 2 337.414 2.155 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000252735088 160393519 /nfs/dbraw/zinc/39/35/19/160393519.db2.gz HNTRGWOSJVNGIO-SJORKVTESA-N 2 2 337.414 2.168 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000252735088 160393520 /nfs/dbraw/zinc/39/35/20/160393520.db2.gz HNTRGWOSJVNGIO-SJORKVTESA-N 2 2 337.414 2.168 10 0 EEAELP CCO[C@H]1C[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000189431627 160141465 /nfs/dbraw/zinc/14/14/65/160141465.db2.gz AFCCTLWRUJZRRN-AZUAARDMSA-N 2 2 347.503 2.202 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+](Cc3nn(-c4ccc(F)cc4)c4c3CCC4)C[C@@H]2C1 ZINC000193639832 160184715 /nfs/dbraw/zinc/18/47/15/160184715.db2.gz KHYOBMXMKGOAPW-GASCZTMLSA-N 2 2 340.446 2.494 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3nn(-c4ccc(F)cc4)c4c3CCC4)C[C@@H]2C1 ZINC000193639832 160184717 /nfs/dbraw/zinc/18/47/17/160184717.db2.gz KHYOBMXMKGOAPW-GASCZTMLSA-N 2 2 340.446 2.494 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3nn(-c4ccc(F)cc4)c4c3CCC4)C[C@@H]2C1 ZINC000193639832 160184719 /nfs/dbraw/zinc/18/47/19/160184719.db2.gz KHYOBMXMKGOAPW-GASCZTMLSA-N 2 2 340.446 2.494 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+](Cc3nn(-c4ccc(F)cc4)c4c3CCC4)C[C@@H]2C1 ZINC000193639832 160184721 /nfs/dbraw/zinc/18/47/21/160184721.db2.gz KHYOBMXMKGOAPW-GASCZTMLSA-N 2 2 340.446 2.494 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1C ZINC000246745160 160292163 /nfs/dbraw/zinc/29/21/63/160292163.db2.gz MYSBEYQKFVBDEX-OKZBNKHCSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1C ZINC000246745160 160292164 /nfs/dbraw/zinc/29/21/64/160292164.db2.gz MYSBEYQKFVBDEX-OKZBNKHCSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c2cc1C ZINC000246745160 160292166 /nfs/dbraw/zinc/29/21/66/160292166.db2.gz MYSBEYQKFVBDEX-OKZBNKHCSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)c2cc1C ZINC000246745160 160292167 /nfs/dbraw/zinc/29/21/67/160292167.db2.gz MYSBEYQKFVBDEX-OKZBNKHCSA-N 3 2 344.503 2.429 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1n1cc[nH+]c1 ZINC000247307173 160319275 /nfs/dbraw/zinc/31/92/75/160319275.db2.gz FPGACRZDDBCMIU-TZMCWYRMSA-N 2 2 329.429 2.036 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1n1cc[nH+]c1 ZINC000247307173 160319276 /nfs/dbraw/zinc/31/92/76/160319276.db2.gz FPGACRZDDBCMIU-TZMCWYRMSA-N 2 2 329.429 2.036 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000344324135 161217515 /nfs/dbraw/zinc/21/75/15/161217515.db2.gz GGCLJVXYJCXHNR-MRXNPFEDSA-N 2 2 347.507 2.198 10 0 EEAELP CCCC[N@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000352663462 162232844 /nfs/dbraw/zinc/23/28/44/162232844.db2.gz GTOWHBFRUCANQY-UHFFFAOYSA-N 2 2 333.480 2.082 10 0 EEAELP CCCC[N@@H+](C)CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000352663462 162232845 /nfs/dbraw/zinc/23/28/45/162232845.db2.gz GTOWHBFRUCANQY-UHFFFAOYSA-N 2 2 333.480 2.082 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000359948102 164202188 /nfs/dbraw/zinc/20/21/88/164202188.db2.gz XNSQSIPVCJXNRU-UHFFFAOYSA-N 2 2 338.459 2.497 10 0 EEAELP O=C(NCCc1cn2ccccc2[nH+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000366224151 165688546 /nfs/dbraw/zinc/68/85/46/165688546.db2.gz OHSMBZZMILJJQE-UHFFFAOYSA-N 2 2 341.459 2.193 10 0 EEAELP C[NH+](C)CCCC1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000272597252 274176526 /nfs/dbraw/zinc/17/65/26/274176526.db2.gz XZHYHTJAZLJCQK-UHFFFAOYSA-N 2 2 341.459 2.461 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000291453153 275306794 /nfs/dbraw/zinc/30/67/94/275306794.db2.gz JZDIGHFNZCCRLS-SFHVURJKSA-N 2 2 344.434 2.497 10 0 EEAELP CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000339939601 276333157 /nfs/dbraw/zinc/33/31/57/276333157.db2.gz FLOPVIMHGRYMSH-HNNXBMFYSA-N 2 2 333.480 2.080 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000093404829 277221814 /nfs/dbraw/zinc/22/18/14/277221814.db2.gz GYASQRQPCQOHPL-GOEBONIOSA-N 2 2 331.464 2.108 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000093404829 277221816 /nfs/dbraw/zinc/22/18/16/277221816.db2.gz GYASQRQPCQOHPL-GOEBONIOSA-N 2 2 331.464 2.108 10 0 EEAELP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000423365729 288091743 /nfs/dbraw/zinc/09/17/43/288091743.db2.gz PNCYBOOKORQGFS-XIRDDKMYSA-N 2 2 333.476 2.192 10 0 EEAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCCO2 ZINC000151254065 295274689 /nfs/dbraw/zinc/27/46/89/295274689.db2.gz WKWFBIHVWNAIDT-CRAIPNDOSA-N 2 2 334.460 2.345 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000284199063 311470669 /nfs/dbraw/zinc/47/06/69/311470669.db2.gz SJPVARRWAXWKQP-GJZGRUSLSA-N 2 2 333.457 2.348 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000416897974 313353485 /nfs/dbraw/zinc/35/34/85/313353485.db2.gz ZBGQWBUTIDPQPB-CQDKDKBSSA-N 2 2 347.850 2.294 10 0 EEAELP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)Cn1cc[nH+]c1 ZINC000073284971 441307361 /nfs/dbraw/zinc/30/73/61/441307361.db2.gz BAOKWFAGBMGMGF-UHFFFAOYSA-N 2 2 340.431 2.213 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)c2cnn(C)c2)CC1 ZINC000449199926 315431181 /nfs/dbraw/zinc/43/11/81/315431181.db2.gz BHOCAOFCDFJREM-JXFKEZNVSA-N 2 2 342.487 2.139 10 0 EEAELP C[C@@H](Cc1ccccc1F)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000525857363 317084583 /nfs/dbraw/zinc/08/45/83/317084583.db2.gz JJBOYDCJCJDYRM-WMLDXEAASA-N 2 2 344.434 2.271 10 0 EEAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563811268 319045598 /nfs/dbraw/zinc/04/55/98/319045598.db2.gz WUEMUARJELBZER-DNVCBOLYSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563811268 319045601 /nfs/dbraw/zinc/04/56/01/319045601.db2.gz WUEMUARJELBZER-DNVCBOLYSA-N 2 2 331.460 2.488 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564085964 319066075 /nfs/dbraw/zinc/06/60/75/319066075.db2.gz UHTCZZPPWHYFBC-KSSFIOAISA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564085964 319066077 /nfs/dbraw/zinc/06/60/77/319066077.db2.gz UHTCZZPPWHYFBC-KSSFIOAISA-N 2 2 335.879 2.420 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)c1 ZINC000564859592 319118948 /nfs/dbraw/zinc/11/89/48/319118948.db2.gz HBYMSSKUOKFWEK-HNNXBMFYSA-N 2 2 327.350 2.175 10 0 EEAELP Cc1cccn2cc(CC(=O)N(CC[NH3+])CCc3ccccc3)[nH+]c12 ZINC000566294802 319270907 /nfs/dbraw/zinc/27/09/07/319270907.db2.gz LDDIUQQHLOVHIG-UHFFFAOYSA-N 2 2 336.439 2.215 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2ccc(OC)c(OC(F)F)c2)CC1 ZINC000566317694 319274163 /nfs/dbraw/zinc/27/41/63/319274163.db2.gz ZLYQJCGVRKJZIN-UHFFFAOYSA-N 2 2 344.402 2.497 10 0 EEAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)[C@H]1n1cccn1 ZINC000570062728 319633538 /nfs/dbraw/zinc/63/35/38/319633538.db2.gz WKYDKZSBCFLDMW-JFIYKMOQSA-N 2 2 325.416 2.348 10 0 EEAELP C[NH+](C)C1CC([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000574823768 320061161 /nfs/dbraw/zinc/06/11/61/320061161.db2.gz WGQMSIQFRWERCB-UHFFFAOYSA-N 2 2 328.416 2.030 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000575136059 320090176 /nfs/dbraw/zinc/09/01/76/320090176.db2.gz SSXYXDNZCKSOJD-ZTFRIQLXSA-N 2 2 348.397 2.428 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000575136059 320090178 /nfs/dbraw/zinc/09/01/78/320090178.db2.gz SSXYXDNZCKSOJD-ZTFRIQLXSA-N 2 2 348.397 2.428 10 0 EEAELP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000575178925 320093428 /nfs/dbraw/zinc/09/34/28/320093428.db2.gz XGQVJHKOBNWORF-KRWDZBQOSA-N 2 2 335.411 2.102 10 0 EEAELP C[C@H]([NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccccc1F ZINC000583283832 324631780 /nfs/dbraw/zinc/63/17/80/324631780.db2.gz FAAYXMRSQLCBTG-BBRMVZONSA-N 2 2 330.407 2.401 10 0 EEAELP Cc1nc(NC[C@H](C)[N@H+]2CCc3ccccc3C2)nc(N(C)C)[nH+]1 ZINC000488373384 447845841 /nfs/dbraw/zinc/84/58/41/447845841.db2.gz XFJDNSWKDOJYAT-ZDUSSCGKSA-N 2 2 326.448 2.105 10 0 EEAELP CC[C@H]1CN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC[C@@H]1[NH3+] ZINC000529366685 448842170 /nfs/dbraw/zinc/84/21/70/448842170.db2.gz KRSALXRXAOLNOD-GJZGRUSLSA-N 2 2 348.495 2.089 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])nc(C(C)C)[nH+]1 ZINC000627077451 451112326 /nfs/dbraw/zinc/11/23/26/451112326.db2.gz CJOXSVHOTFSYBR-GJZGRUSLSA-N 2 2 348.495 2.137 10 0 EEAELP COc1cc2cc[nH+]c(N[C@H](C)C[NH+]3CCOCC3)c2cc1OC ZINC000325996362 465033694 /nfs/dbraw/zinc/03/36/94/465033694.db2.gz LQDXARMRPFXYRM-CYBMUJFWSA-N 2 2 331.416 2.385 10 0 EEAELP O[C@@H]1CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337266842 465275992 /nfs/dbraw/zinc/27/59/92/465275992.db2.gz VUPPUVRUHFEFSA-GBESFXJTSA-N 2 2 327.428 2.234 10 0 EEAELP O[C@@H]1CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337266842 465275995 /nfs/dbraw/zinc/27/59/95/465275995.db2.gz VUPPUVRUHFEFSA-GBESFXJTSA-N 2 2 327.428 2.234 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)CN3C[C@@H]4CCC[N@H+]4C[C@@H]3C)c2cc1C ZINC000113268530 462583227 /nfs/dbraw/zinc/58/32/27/462583227.db2.gz SYZXIFBXPGEOIX-OKZBNKHCSA-N 2 2 342.487 2.183 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)CN3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)c2cc1C ZINC000113268530 462583230 /nfs/dbraw/zinc/58/32/30/462583230.db2.gz SYZXIFBXPGEOIX-OKZBNKHCSA-N 2 2 342.487 2.183 10 0 EEAELP COc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000114479931 462653893 /nfs/dbraw/zinc/65/38/93/462653893.db2.gz PDUXJNJDERCQOM-QFBILLFUSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000114479931 462653896 /nfs/dbraw/zinc/65/38/96/462653896.db2.gz PDUXJNJDERCQOM-QFBILLFUSA-N 2 2 345.487 2.242 10 0 EEAELP C[C@@H]1CC[C@H](C)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076149757 462815076 /nfs/dbraw/zinc/81/50/76/462815076.db2.gz CKHSMRPEXSSPIE-DLBZAZTESA-N 2 2 330.476 2.241 10 0 EEAELP C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000076149757 462815082 /nfs/dbraw/zinc/81/50/82/462815082.db2.gz CKHSMRPEXSSPIE-DLBZAZTESA-N 2 2 330.476 2.241 10 0 EEAELP C[C@]1(CNC(=O)NCCn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1 ZINC000155262098 462868211 /nfs/dbraw/zinc/86/82/11/462868211.db2.gz OWFVMUAGTKNDLN-LJQANCHMSA-N 2 2 341.459 2.237 10 0 EEAELP C[C@]1(CNC(=O)NCCn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1 ZINC000155262098 462868218 /nfs/dbraw/zinc/86/82/18/462868218.db2.gz OWFVMUAGTKNDLN-LJQANCHMSA-N 2 2 341.459 2.237 10 0 EEAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579230556 468329159 /nfs/dbraw/zinc/32/91/59/468329159.db2.gz OTRBLKDSIBFBNL-OAHLLOKOSA-N 2 2 346.397 2.245 10 0 EEAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579230556 468329161 /nfs/dbraw/zinc/32/91/61/468329161.db2.gz OTRBLKDSIBFBNL-OAHLLOKOSA-N 2 2 346.397 2.245 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000048856068 462942214 /nfs/dbraw/zinc/94/22/14/462942214.db2.gz CUYGQZFIHRNODG-OAHLLOKOSA-N 2 2 333.480 2.211 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000521663793 468328324 /nfs/dbraw/zinc/32/83/24/468328324.db2.gz KEBYZXDBEYGKGE-ZACQAIPSSA-N 2 2 347.507 2.360 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@@H]3[C@H]3CCC[N@H+]3C)[nH+]c12 ZINC000069490135 463257746 /nfs/dbraw/zinc/25/77/46/463257746.db2.gz YBTZUQKYJNIOST-IAGOWNOFSA-N 2 2 326.444 2.270 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@@H]3[C@H]3CCC[N@@H+]3C)[nH+]c12 ZINC000069490135 463257749 /nfs/dbraw/zinc/25/77/49/463257749.db2.gz YBTZUQKYJNIOST-IAGOWNOFSA-N 2 2 326.444 2.270 10 0 EEAELP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000080442430 463319701 /nfs/dbraw/zinc/31/97/01/463319701.db2.gz CZIRFHUBIFXSBB-HNNXBMFYSA-N 2 2 328.416 2.242 10 0 EEAELP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000080442430 463319706 /nfs/dbraw/zinc/31/97/06/463319706.db2.gz CZIRFHUBIFXSBB-HNNXBMFYSA-N 2 2 328.416 2.242 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000123457590 463344267 /nfs/dbraw/zinc/34/42/67/463344267.db2.gz YMVNGOXJCXOKNL-ZBFHGGJFSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[N@H+]1C ZINC000123457590 463344270 /nfs/dbraw/zinc/34/42/70/463344270.db2.gz YMVNGOXJCXOKNL-ZBFHGGJFSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[NH+]1C ZINC000123457590 463344272 /nfs/dbraw/zinc/34/42/72/463344272.db2.gz YMVNGOXJCXOKNL-ZBFHGGJFSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[NH+]1C ZINC000123457590 463344278 /nfs/dbraw/zinc/34/42/78/463344278.db2.gz YMVNGOXJCXOKNL-ZBFHGGJFSA-N 2 2 347.459 2.201 10 0 EEAELP Cc1cccn2cc(CC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[nH+]c12 ZINC000080717292 463349821 /nfs/dbraw/zinc/34/98/21/463349821.db2.gz ZHKHPQSIXSQKKM-ZXFUBFMLSA-N 2 2 326.444 2.317 10 0 EEAELP Cc1cccn2cc(CC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[nH+]c12 ZINC000080717292 463349825 /nfs/dbraw/zinc/34/98/25/463349825.db2.gz ZHKHPQSIXSQKKM-ZXFUBFMLSA-N 2 2 326.444 2.317 10 0 EEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000124401635 463418808 /nfs/dbraw/zinc/41/88/08/463418808.db2.gz WJVPPQVFFFXQGH-QGZVFWFLSA-N 2 2 347.507 2.457 10 0 EEAELP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)CCO3)c2C1 ZINC000081342955 463422964 /nfs/dbraw/zinc/42/29/64/463422964.db2.gz KAQFXMCEJILIHS-GOSISDBHSA-N 2 2 331.460 2.317 10 0 EEAELP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)CCO3)c2C1 ZINC000081342955 463422967 /nfs/dbraw/zinc/42/29/67/463422967.db2.gz KAQFXMCEJILIHS-GOSISDBHSA-N 2 2 331.460 2.317 10 0 EEAELP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@H+](C)CCO3)c2C1 ZINC000081342955 463422971 /nfs/dbraw/zinc/42/29/71/463422971.db2.gz KAQFXMCEJILIHS-GOSISDBHSA-N 2 2 331.460 2.317 10 0 EEAELP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@@H+](C)CCO3)c2C1 ZINC000081342955 463422974 /nfs/dbraw/zinc/42/29/74/463422974.db2.gz KAQFXMCEJILIHS-GOSISDBHSA-N 2 2 331.460 2.317 10 0 EEAELP O=C(CCn1c[nH+]c2cc(F)c(F)cc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000071839780 463437382 /nfs/dbraw/zinc/43/73/82/463437382.db2.gz ZTHCFNICACHMSZ-CYBMUJFWSA-N 2 2 348.397 2.401 10 0 EEAELP O=C(CCn1c[nH+]c2cc(F)c(F)cc21)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000071839780 463437386 /nfs/dbraw/zinc/43/73/86/463437386.db2.gz ZTHCFNICACHMSZ-CYBMUJFWSA-N 2 2 348.397 2.401 10 0 EEAELP CC1CC[NH+]([C@@H](CNC(=O)Cn2cc[nH+]c2)c2ccccc2)CC1 ZINC000073024836 463575871 /nfs/dbraw/zinc/57/58/71/463575871.db2.gz TZPRXAIKHMLLJL-SFHVURJKSA-N 2 2 326.444 2.473 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)Cn3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000073849390 463661917 /nfs/dbraw/zinc/66/19/17/463661917.db2.gz UTCUWISJHKXJEH-GASCZTMLSA-N 2 2 328.416 2.131 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)Cn3cc[nH+]c3)c2)C[C@H](C)O1 ZINC000073849390 463661919 /nfs/dbraw/zinc/66/19/19/463661919.db2.gz UTCUWISJHKXJEH-GASCZTMLSA-N 2 2 328.416 2.131 10 0 EEAELP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000268417460 463735748 /nfs/dbraw/zinc/73/57/48/463735748.db2.gz VUNUBYDATXJXCP-UHFFFAOYSA-N 2 2 346.862 2.489 10 0 EEAELP O=S(=O)(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc(F)cc1 ZINC000279145143 464043218 /nfs/dbraw/zinc/04/32/18/464043218.db2.gz YZEOVMVJCSDWSG-UHFFFAOYSA-N 2 2 337.420 2.202 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000284020102 464071800 /nfs/dbraw/zinc/07/18/00/464071800.db2.gz NPGXQNVYILUUBH-XGXHKWSGSA-N 2 2 334.504 2.397 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000284020102 464071803 /nfs/dbraw/zinc/07/18/03/464071803.db2.gz NPGXQNVYILUUBH-XGXHKWSGSA-N 2 2 334.504 2.397 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000229276470 464196019 /nfs/dbraw/zinc/19/60/19/464196019.db2.gz TYXUIYJFCYIFNP-MSOLQXFVSA-N 2 2 338.455 2.226 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000229276470 464196021 /nfs/dbraw/zinc/19/60/21/464196021.db2.gz TYXUIYJFCYIFNP-MSOLQXFVSA-N 2 2 338.455 2.226 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000229516740 464197321 /nfs/dbraw/zinc/19/73/21/464197321.db2.gz IBOAVJUTIVVKNC-ROUUACIJSA-N 2 2 334.508 2.267 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000229516740 464197323 /nfs/dbraw/zinc/19/73/23/464197323.db2.gz IBOAVJUTIVVKNC-ROUUACIJSA-N 2 2 334.508 2.267 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000173418620 464257458 /nfs/dbraw/zinc/25/74/58/464257458.db2.gz XIXVKASBNHNSQE-UHFFFAOYSA-N 2 2 332.452 2.324 10 0 EEAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180664631 464364496 /nfs/dbraw/zinc/36/44/96/464364496.db2.gz HGCDQFBHUACUPK-KBPBESRZSA-N 2 2 343.431 2.146 10 0 EEAELP Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)n(C)n1 ZINC000180664997 464364811 /nfs/dbraw/zinc/36/48/11/464364811.db2.gz ANDRMSAKSJLGAQ-CQSZACIVSA-N 2 2 338.415 2.204 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000174775934 464450033 /nfs/dbraw/zinc/45/00/33/464450033.db2.gz RLCKAGPGIAUEQS-SJLPKXTDSA-N 2 2 347.503 2.016 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000174775934 464450041 /nfs/dbraw/zinc/45/00/41/464450041.db2.gz RLCKAGPGIAUEQS-SJLPKXTDSA-N 2 2 347.503 2.016 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000174775934 464450047 /nfs/dbraw/zinc/45/00/47/464450047.db2.gz RLCKAGPGIAUEQS-SJLPKXTDSA-N 2 2 347.503 2.016 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000174775934 464450056 /nfs/dbraw/zinc/45/00/56/464450056.db2.gz RLCKAGPGIAUEQS-SJLPKXTDSA-N 2 2 347.503 2.016 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000175518632 464565919 /nfs/dbraw/zinc/56/59/19/464565919.db2.gz QSBHAXPIYDYNDJ-IBGZPJMESA-N 2 2 344.503 2.389 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC000176592492 464806680 /nfs/dbraw/zinc/80/66/80/464806680.db2.gz CXBYAUJUBKFSRI-CABCVRRESA-N 2 2 347.507 2.484 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000183175841 464814831 /nfs/dbraw/zinc/81/48/31/464814831.db2.gz YEDJLMGPRKWTDG-INIZCTEOSA-N 2 2 334.489 2.340 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000183175841 464814835 /nfs/dbraw/zinc/81/48/35/464814835.db2.gz YEDJLMGPRKWTDG-INIZCTEOSA-N 2 2 334.489 2.340 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[N@H+]2CCO[C@H](C)C2)CC1 ZINC000249276080 464856546 /nfs/dbraw/zinc/85/65/46/464856546.db2.gz KYYDJZYHXUOEAP-IAGOWNOFSA-N 2 2 335.467 2.225 10 0 EEAELP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000282578370 464874449 /nfs/dbraw/zinc/87/44/49/464874449.db2.gz VSRDECVSAPBPDK-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)nn1 ZINC000282578370 464874454 /nfs/dbraw/zinc/87/44/54/464874454.db2.gz VSRDECVSAPBPDK-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000249926243 464921736 /nfs/dbraw/zinc/92/17/36/464921736.db2.gz ZYAQFYMLMYVYQG-RDTXWAMCSA-N 2 2 342.418 2.490 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(F)cc3)C2)[nH+]1 ZINC000249926243 464921739 /nfs/dbraw/zinc/92/17/39/464921739.db2.gz ZYAQFYMLMYVYQG-RDTXWAMCSA-N 2 2 342.418 2.490 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000177343898 464991771 /nfs/dbraw/zinc/99/17/71/464991771.db2.gz JCFMWDLXHQEQPW-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000177343898 464991774 /nfs/dbraw/zinc/99/17/74/464991774.db2.gz JCFMWDLXHQEQPW-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP C[N@@H+](CCC[NH+]1CCN(c2ccccc2)CC1)Cc1cnccn1 ZINC000253417507 465005637 /nfs/dbraw/zinc/00/56/37/465005637.db2.gz XADVRRXTPSCAAE-UHFFFAOYSA-N 2 2 325.460 2.121 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579953481 468442133 /nfs/dbraw/zinc/44/21/33/468442133.db2.gz IEVPSXNSWCLSSY-MBOZVWFJSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579953481 468442140 /nfs/dbraw/zinc/44/21/40/468442140.db2.gz IEVPSXNSWCLSSY-MBOZVWFJSA-N 2 2 329.488 2.370 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000348636023 465720859 /nfs/dbraw/zinc/72/08/59/465720859.db2.gz PPCQOADAABCIPK-MAUKXSAKSA-N 2 2 335.467 2.147 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000348636023 465720867 /nfs/dbraw/zinc/72/08/67/465720867.db2.gz PPCQOADAABCIPK-MAUKXSAKSA-N 2 2 335.467 2.147 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000348636023 465720875 /nfs/dbraw/zinc/72/08/75/465720875.db2.gz PPCQOADAABCIPK-MAUKXSAKSA-N 2 2 335.467 2.147 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccc(F)cc2)[C@@H](C)C1 ZINC000348636023 465720883 /nfs/dbraw/zinc/72/08/83/465720883.db2.gz PPCQOADAABCIPK-MAUKXSAKSA-N 2 2 335.467 2.147 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000362418260 465722086 /nfs/dbraw/zinc/72/20/86/465722086.db2.gz FSVGMDBMWDBHPP-MSOLQXFVSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000362418260 465722091 /nfs/dbraw/zinc/72/20/91/465722091.db2.gz FSVGMDBMWDBHPP-MSOLQXFVSA-N 2 2 329.488 2.451 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366554486 465799831 /nfs/dbraw/zinc/79/98/31/465799831.db2.gz MBVLUIPUXWCBKR-MRXNPFEDSA-N 2 2 341.908 2.388 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366554486 465799840 /nfs/dbraw/zinc/79/98/40/465799840.db2.gz MBVLUIPUXWCBKR-MRXNPFEDSA-N 2 2 341.908 2.388 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366554486 465799845 /nfs/dbraw/zinc/79/98/45/465799845.db2.gz MBVLUIPUXWCBKR-MRXNPFEDSA-N 2 2 341.908 2.388 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366554486 465799851 /nfs/dbraw/zinc/79/98/51/465799851.db2.gz MBVLUIPUXWCBKR-MRXNPFEDSA-N 2 2 341.908 2.388 10 0 EEAELP COc1cc(C)[nH+]c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000353338685 465810771 /nfs/dbraw/zinc/81/07/71/465810771.db2.gz PCZKMOMEQYJJCN-DFNIBXOVSA-N 3 2 344.503 2.141 10 0 EEAELP COc1cc(C)[nH+]c(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000353338685 465810772 /nfs/dbraw/zinc/81/07/72/465810772.db2.gz PCZKMOMEQYJJCN-DFNIBXOVSA-N 3 2 344.503 2.141 10 0 EEAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175174 465815082 /nfs/dbraw/zinc/81/50/82/465815082.db2.gz LUDCDKKLLSFOEE-MPGHIAIKSA-N 3 2 334.483 2.178 10 0 EEAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175174 465815089 /nfs/dbraw/zinc/81/50/89/465815089.db2.gz LUDCDKKLLSFOEE-MPGHIAIKSA-N 3 2 334.483 2.178 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)[C@H]2CCC[C@@H]21 ZINC000353682864 466063293 /nfs/dbraw/zinc/06/32/93/466063293.db2.gz PAZJCRSFIIHUTJ-SQNIBIBYSA-N 2 2 343.450 2.428 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)[C@H]2CCC[C@@H]21 ZINC000353682864 466063299 /nfs/dbraw/zinc/06/32/99/466063299.db2.gz PAZJCRSFIIHUTJ-SQNIBIBYSA-N 2 2 343.450 2.428 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc[nH+]1 ZINC000353747866 466116944 /nfs/dbraw/zinc/11/69/44/466116944.db2.gz NUNBFHQSQPOCNG-UHFFFAOYSA-N 2 2 333.386 2.143 10 0 EEAELP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]cc3C(N)=O)CC2)cs1 ZINC000302242406 466126422 /nfs/dbraw/zinc/12/64/22/466126422.db2.gz YKSSVRWQQWOJEC-UHFFFAOYSA-N 2 2 345.472 2.270 10 0 EEAELP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(C)n1C ZINC000353766480 466131265 /nfs/dbraw/zinc/13/12/65/466131265.db2.gz MJENDKIIOJGQTI-UHFFFAOYSA-N 2 2 346.519 2.322 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c[nH+]1 ZINC000349641780 466171235 /nfs/dbraw/zinc/17/12/35/466171235.db2.gz FCAKUPWDNDJWCQ-QGZVFWFLSA-N 2 2 345.491 2.306 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)c[nH+]1 ZINC000349641780 466171246 /nfs/dbraw/zinc/17/12/46/466171246.db2.gz FCAKUPWDNDJWCQ-QGZVFWFLSA-N 2 2 345.491 2.306 10 0 EEAELP CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccn1 ZINC000346985394 466298947 /nfs/dbraw/zinc/29/89/47/466298947.db2.gz QFTQBUUMCZKEBZ-SFHVURJKSA-N 2 2 332.492 2.455 10 0 EEAELP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000372393471 466348557 /nfs/dbraw/zinc/34/85/57/466348557.db2.gz GJNJSPCSXRWWJL-OAHLLOKOSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000372393471 466348562 /nfs/dbraw/zinc/34/85/62/466348562.db2.gz GJNJSPCSXRWWJL-OAHLLOKOSA-N 2 2 332.492 2.438 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000312513997 466531042 /nfs/dbraw/zinc/53/10/42/466531042.db2.gz HFXPDIQSBALWHJ-SWLSCSKDSA-N 2 2 345.281 2.039 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000312513997 466531045 /nfs/dbraw/zinc/53/10/45/466531045.db2.gz HFXPDIQSBALWHJ-SWLSCSKDSA-N 2 2 345.281 2.039 10 0 EEAELP c1ccc(N2CCC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423091050 466691746 /nfs/dbraw/zinc/69/17/46/466691746.db2.gz ZBNNTZXCVKAOEH-UXPWSPDFSA-N 2 2 329.488 2.260 10 0 EEAELP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423242225 466702310 /nfs/dbraw/zinc/70/23/10/466702310.db2.gz DZLHACBEQQGSTM-YOEHRIQHSA-N 2 2 347.484 2.301 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370133750 466772147 /nfs/dbraw/zinc/77/21/47/466772147.db2.gz SSUXMPLMWXXQCN-UHFFFAOYSA-N 2 2 345.487 2.260 10 0 EEAELP COC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCOCC1 ZINC000365403040 466808035 /nfs/dbraw/zinc/80/80/35/466808035.db2.gz DTOSURISYAOUCH-GOSISDBHSA-N 2 2 333.476 2.079 10 0 EEAELP COC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CCOCC1 ZINC000365403040 466808039 /nfs/dbraw/zinc/80/80/39/466808039.db2.gz DTOSURISYAOUCH-GOSISDBHSA-N 2 2 333.476 2.079 10 0 EEAELP CN(C(=O)c1cc2[nH]ccc2s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373504471 466825567 /nfs/dbraw/zinc/82/55/67/466825567.db2.gz VXDCGRLHPWTMDF-CQSZACIVSA-N 2 2 346.500 2.470 10 0 EEAELP CN(C(=O)c1cc2[nH]ccc2s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373504471 466825572 /nfs/dbraw/zinc/82/55/72/466825572.db2.gz VXDCGRLHPWTMDF-CQSZACIVSA-N 2 2 346.500 2.470 10 0 EEAELP O=C(NCc1[nH+]ccn1CCCc1ccccc1)NC[C@@H]1CCC[NH2+]1 ZINC000417844624 466953853 /nfs/dbraw/zinc/95/38/53/466953853.db2.gz OETANVUHLPLBSP-KRWDZBQOSA-N 2 2 341.459 2.067 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945479 466997042 /nfs/dbraw/zinc/99/70/42/466997042.db2.gz QZPMTLNAABQHSW-KMUNFCNLSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945479 466997046 /nfs/dbraw/zinc/99/70/46/466997046.db2.gz QZPMTLNAABQHSW-KMUNFCNLSA-N 2 2 342.846 2.261 10 0 EEAELP CO[C@H]1C[C@H]2C[C@H](Nc3ccc(N4CC[NH+](C)CC4)c[nH+]3)C[C@H]2C1 ZINC000424286988 467022162 /nfs/dbraw/zinc/02/21/62/467022162.db2.gz QXURNYYVDDBUCU-LYEGSJOYSA-N 2 2 330.476 2.449 10 0 EEAELP COc1cccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000378317311 467262683 /nfs/dbraw/zinc/26/26/83/467262683.db2.gz UVPIGUDHIIGTDF-HNNXBMFYSA-N 2 2 349.450 2.075 10 0 EEAELP COc1cccc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1F ZINC000378317311 467262687 /nfs/dbraw/zinc/26/26/87/467262687.db2.gz UVPIGUDHIIGTDF-HNNXBMFYSA-N 2 2 349.450 2.075 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420381699 467387260 /nfs/dbraw/zinc/38/72/60/467387260.db2.gz SBCFCJUDHOBBKB-HXUWFJFHSA-N 2 2 345.487 2.167 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420381699 467387265 /nfs/dbraw/zinc/38/72/65/467387265.db2.gz SBCFCJUDHOBBKB-HXUWFJFHSA-N 2 2 345.487 2.167 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420386731 467389742 /nfs/dbraw/zinc/38/97/42/467389742.db2.gz VMAYSLSOYAQPQA-HNAYVOBHSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420386731 467389746 /nfs/dbraw/zinc/38/97/46/467389746.db2.gz VMAYSLSOYAQPQA-HNAYVOBHSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297753 467398982 /nfs/dbraw/zinc/39/89/82/467398982.db2.gz GNNNCPYUMZBPQS-XLIONFOSSA-N 3 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297753 467398986 /nfs/dbraw/zinc/39/89/86/467398986.db2.gz GNNNCPYUMZBPQS-XLIONFOSSA-N 3 2 343.515 2.086 10 0 EEAELP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)COCc1ccco1 ZINC000390634283 467409736 /nfs/dbraw/zinc/40/97/36/467409736.db2.gz CFKRXILJQBYOOZ-RTBURBONSA-N 2 2 344.455 2.411 10 0 EEAELP O[C@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)COCc1ccco1 ZINC000390634283 467409742 /nfs/dbraw/zinc/40/97/42/467409742.db2.gz CFKRXILJQBYOOZ-RTBURBONSA-N 2 2 344.455 2.411 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398003948 467445896 /nfs/dbraw/zinc/44/58/96/467445896.db2.gz WYDLMIMWMBMIQY-RLLQIKCJSA-N 3 2 331.504 2.398 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398003948 467445900 /nfs/dbraw/zinc/44/59/00/467445900.db2.gz WYDLMIMWMBMIQY-RLLQIKCJSA-N 3 2 331.504 2.398 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000453309079 467478859 /nfs/dbraw/zinc/47/88/59/467478859.db2.gz OVWXHPPYDVEMLS-VHRBIJSZSA-N 2 2 327.270 2.145 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000453309079 467478860 /nfs/dbraw/zinc/47/88/60/467478860.db2.gz OVWXHPPYDVEMLS-VHRBIJSZSA-N 2 2 327.270 2.145 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cc(OC)ccc2Br)C[C@H]1C[NH3+] ZINC000405418403 467481479 /nfs/dbraw/zinc/48/14/79/467481479.db2.gz CPASNTBTLJAUOY-IUODEOHRSA-N 2 2 343.265 2.253 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cc(OC)ccc2Br)C[C@H]1C[NH3+] ZINC000405418403 467481482 /nfs/dbraw/zinc/48/14/82/467481482.db2.gz CPASNTBTLJAUOY-IUODEOHRSA-N 2 2 343.265 2.253 10 0 EEAELP CN(Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000420911401 467510448 /nfs/dbraw/zinc/51/04/48/467510448.db2.gz GLOTYEOEIUWILQ-HXUWFJFHSA-N 2 2 329.488 2.187 10 0 EEAELP CN(Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000420911401 467510454 /nfs/dbraw/zinc/51/04/54/467510454.db2.gz GLOTYEOEIUWILQ-HXUWFJFHSA-N 2 2 329.488 2.187 10 0 EEAELP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000420911401 467510457 /nfs/dbraw/zinc/51/04/57/467510457.db2.gz GLOTYEOEIUWILQ-HXUWFJFHSA-N 2 2 329.488 2.187 10 0 EEAELP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000420911401 467510461 /nfs/dbraw/zinc/51/04/61/467510461.db2.gz GLOTYEOEIUWILQ-HXUWFJFHSA-N 2 2 329.488 2.187 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@](C)(F)C3)CC2)CC1 ZINC000454447353 467593536 /nfs/dbraw/zinc/59/35/36/467593536.db2.gz FSEMHNDCMZEHOQ-GOSISDBHSA-N 2 2 340.487 2.079 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000449397541 467637875 /nfs/dbraw/zinc/63/78/75/467637875.db2.gz VNVLPKSMDUAIQA-HLAWJBBLSA-N 2 2 345.531 2.476 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCCN2CCO)CC[N@H+]1Cc1ccccc1 ZINC000449397541 467637880 /nfs/dbraw/zinc/63/78/80/467637880.db2.gz VNVLPKSMDUAIQA-HLAWJBBLSA-N 2 2 345.531 2.476 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000457491908 467838107 /nfs/dbraw/zinc/83/81/07/467838107.db2.gz OOCSUVNAEGFZHH-HNNXBMFYSA-N 2 2 347.488 2.160 10 0 EEAELP C[N@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515490762 467994456 /nfs/dbraw/zinc/99/44/56/467994456.db2.gz RQGOPWCCJSKUCX-UHFFFAOYSA-N 2 2 335.411 2.409 10 0 EEAELP C[N@@H+](Cc1nc(-c2cccnc2)no1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515490762 467994458 /nfs/dbraw/zinc/99/44/58/467994458.db2.gz RQGOPWCCJSKUCX-UHFFFAOYSA-N 2 2 335.411 2.409 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567889723 468232158 /nfs/dbraw/zinc/23/21/58/468232158.db2.gz NFFQDBIYYQYRFO-IFXJQAMLSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567889723 468232165 /nfs/dbraw/zinc/23/21/65/468232165.db2.gz NFFQDBIYYQYRFO-IFXJQAMLSA-N 2 2 344.459 2.048 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000594614235 468637099 /nfs/dbraw/zinc/63/70/99/468637099.db2.gz KMMDBAZXDCRZSB-IEBWSBKVSA-N 2 2 338.492 2.341 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000571014431 468724920 /nfs/dbraw/zinc/72/49/20/468724920.db2.gz VTULMPWWXMZAJZ-GASCZTMLSA-N 2 2 328.416 2.131 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000571014431 468724925 /nfs/dbraw/zinc/72/49/25/468724925.db2.gz VTULMPWWXMZAJZ-GASCZTMLSA-N 2 2 328.416 2.131 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571523762 468801278 /nfs/dbraw/zinc/80/12/78/468801278.db2.gz VQGHNQBJPKKBKA-SHUKQUCYSA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571523762 468801285 /nfs/dbraw/zinc/80/12/85/468801285.db2.gz VQGHNQBJPKKBKA-SHUKQUCYSA-N 2 2 339.842 2.468 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1c(F)cccc1F ZINC000584788224 468937109 /nfs/dbraw/zinc/93/71/09/468937109.db2.gz FUIPSOKWOIMQHF-KRWDZBQOSA-N 2 2 347.409 2.499 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(F)c1 ZINC000595907024 469075794 /nfs/dbraw/zinc/07/57/94/469075794.db2.gz QTEHXLMBMQLLCA-INIZCTEOSA-N 2 2 338.423 2.155 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(F)c1 ZINC000595907024 469075797 /nfs/dbraw/zinc/07/57/97/469075797.db2.gz QTEHXLMBMQLLCA-INIZCTEOSA-N 2 2 338.423 2.155 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000573709367 469191498 /nfs/dbraw/zinc/19/14/98/469191498.db2.gz XCDXZIJPSDCSAC-QLFBSQMISA-N 2 2 342.443 2.354 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000573709367 469191502 /nfs/dbraw/zinc/19/15/02/469191502.db2.gz XCDXZIJPSDCSAC-QLFBSQMISA-N 2 2 342.443 2.354 10 0 EEAELP COC(=O)[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)O1 ZINC000599604303 469306876 /nfs/dbraw/zinc/30/68/76/469306876.db2.gz HCTNYLXPDFBEJZ-APWZRJJASA-N 2 2 346.471 2.435 10 0 EEAELP COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)O1 ZINC000599604303 469306881 /nfs/dbraw/zinc/30/68/81/469306881.db2.gz HCTNYLXPDFBEJZ-APWZRJJASA-N 2 2 346.471 2.435 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000629523733 469573286 /nfs/dbraw/zinc/57/32/86/469573286.db2.gz IQJXQCRREMPMNO-LDLYASANSA-N 3 2 329.488 2.280 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000629523733 469573290 /nfs/dbraw/zinc/57/32/90/469573290.db2.gz IQJXQCRREMPMNO-LDLYASANSA-N 3 2 329.488 2.280 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000629562247 469580097 /nfs/dbraw/zinc/58/00/97/469580097.db2.gz CQSRQBVQKHSMOE-UHFFFAOYSA-N 2 2 334.247 2.100 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000629562247 469580104 /nfs/dbraw/zinc/58/01/04/469580104.db2.gz CQSRQBVQKHSMOE-UHFFFAOYSA-N 2 2 334.247 2.100 10 0 EEAELP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583486 469584288 /nfs/dbraw/zinc/58/42/88/469584288.db2.gz AUOZAYPGWHCCRQ-HZVDNRATSA-N 2 2 327.472 2.284 10 0 EEAELP C[C@@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583486 469584292 /nfs/dbraw/zinc/58/42/92/469584292.db2.gz AUOZAYPGWHCCRQ-HZVDNRATSA-N 2 2 327.472 2.284 10 0 EEAELP COC(=O)C(C)(C)CC[NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000619426815 469602931 /nfs/dbraw/zinc/60/29/31/469602931.db2.gz JCPPNEFVYAEXMW-FQEVSTJZSA-N 2 2 348.487 2.192 10 0 EEAELP COC(=O)C(C)(C)CC[NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000619426815 469602936 /nfs/dbraw/zinc/60/29/36/469602936.db2.gz JCPPNEFVYAEXMW-FQEVSTJZSA-N 2 2 348.487 2.192 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(Br)cn1 ZINC000623398343 469642195 /nfs/dbraw/zinc/64/21/95/469642195.db2.gz CDDNTWXLUJKWJR-CQSZACIVSA-N 2 2 342.281 2.353 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)c(Br)cn1 ZINC000623398343 469642196 /nfs/dbraw/zinc/64/21/96/469642196.db2.gz CDDNTWXLUJKWJR-CQSZACIVSA-N 2 2 342.281 2.353 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C ZINC000617507002 469705887 /nfs/dbraw/zinc/70/58/87/469705887.db2.gz DVYPVODZEQAXDX-XHSDSOJGSA-N 2 2 339.524 2.016 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C ZINC000617507002 469705891 /nfs/dbraw/zinc/70/58/91/469705891.db2.gz DVYPVODZEQAXDX-XHSDSOJGSA-N 2 2 339.524 2.016 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C[NH2+]1 ZINC000626996344 469782849 /nfs/dbraw/zinc/78/28/49/469782849.db2.gz PSDMCKMINNVAJK-NVXWUHKLSA-N 2 2 341.459 2.066 10 0 EEAELP Cc1nc2ccccc2cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617762426 469794945 /nfs/dbraw/zinc/79/49/45/469794945.db2.gz OPFRLWUNQWPSMY-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP Cc1nc2ccccc2cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617762426 469794948 /nfs/dbraw/zinc/79/49/48/469794948.db2.gz OPFRLWUNQWPSMY-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000617766616 469797698 /nfs/dbraw/zinc/79/76/98/469797698.db2.gz RAZRLRNFDKFHLD-UHFFFAOYSA-N 2 2 346.450 2.230 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000617766616 469797700 /nfs/dbraw/zinc/79/77/00/469797700.db2.gz RAZRLRNFDKFHLD-UHFFFAOYSA-N 2 2 346.450 2.230 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[NH2+]1 ZINC000627205623 469844086 /nfs/dbraw/zinc/84/40/86/469844086.db2.gz CDTJJDOWVAWXMM-FVQBIDKESA-N 2 2 327.432 2.281 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620772917 469912789 /nfs/dbraw/zinc/91/27/89/469912789.db2.gz QLHSYDWMUGFDRO-QGZVFWFLSA-N 2 2 338.455 2.153 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620772917 469912794 /nfs/dbraw/zinc/91/27/94/469912794.db2.gz QLHSYDWMUGFDRO-QGZVFWFLSA-N 2 2 338.455 2.153 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)CC2 ZINC000624520546 469966253 /nfs/dbraw/zinc/96/62/53/469966253.db2.gz RIRSRAQOPXUYBC-GMBSWORKSA-N 2 2 332.492 2.381 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCCC[C@@H]([NH+]3CCCC3)C1)CC2 ZINC000625367656 470128513 /nfs/dbraw/zinc/12/85/13/470128513.db2.gz SVVGEFBSWSXRBJ-DLBZAZTESA-N 2 2 330.476 2.231 10 0 EEAELP c1nnn(-c2ccccc2)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000645468556 470313599 /nfs/dbraw/zinc/31/35/99/470313599.db2.gz UJJVVCJVDOKTSI-UHFFFAOYSA-N 2 2 334.427 2.421 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000645909783 470456686 /nfs/dbraw/zinc/45/66/86/470456686.db2.gz WUFQEADCJVNBLA-KZNAEPCWSA-N 2 2 348.535 2.377 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000645909783 470456693 /nfs/dbraw/zinc/45/66/93/470456693.db2.gz WUFQEADCJVNBLA-KZNAEPCWSA-N 2 2 348.535 2.377 10 0 EEAELP COc1ccc(F)c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000646197099 470562169 /nfs/dbraw/zinc/56/21/69/470562169.db2.gz QYWRDODTPSOERB-QGZVFWFLSA-N 2 2 335.467 2.435 10 0 EEAELP COc1ccc(F)c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000646197099 470562174 /nfs/dbraw/zinc/56/21/74/470562174.db2.gz QYWRDODTPSOERB-QGZVFWFLSA-N 2 2 335.467 2.435 10 0 EEAELP COc1ccc(F)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000646197099 470562182 /nfs/dbraw/zinc/56/21/82/470562182.db2.gz QYWRDODTPSOERB-QGZVFWFLSA-N 2 2 335.467 2.435 10 0 EEAELP COc1ccc(F)c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000646197099 470562187 /nfs/dbraw/zinc/56/21/87/470562187.db2.gz QYWRDODTPSOERB-QGZVFWFLSA-N 2 2 335.467 2.435 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414971 470581093 /nfs/dbraw/zinc/58/10/93/470581093.db2.gz CCGZSMGPEWOBNH-OAGGEKHMSA-N 2 2 333.480 2.255 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649414971 470581096 /nfs/dbraw/zinc/58/10/96/470581096.db2.gz CCGZSMGPEWOBNH-OAGGEKHMSA-N 2 2 333.480 2.255 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269511 470587294 /nfs/dbraw/zinc/58/72/94/470587294.db2.gz IEMAJBWXGFYHEG-DZGCQCFKSA-N 2 2 327.831 2.468 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269511 470587299 /nfs/dbraw/zinc/58/72/99/470587299.db2.gz IEMAJBWXGFYHEG-DZGCQCFKSA-N 2 2 327.831 2.468 10 0 EEAELP COc1ncncc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647199722 470856417 /nfs/dbraw/zinc/85/64/17/470856417.db2.gz NWEIPBVXFMBYRG-NVXWUHKLSA-N 2 2 326.444 2.485 10 0 EEAELP COc1ncncc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647199722 470856420 /nfs/dbraw/zinc/85/64/20/470856420.db2.gz NWEIPBVXFMBYRG-NVXWUHKLSA-N 2 2 326.444 2.485 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000636058023 470863011 /nfs/dbraw/zinc/86/30/11/470863011.db2.gz WRAJZIBHFSINKD-DODZYUBVSA-N 2 2 336.439 2.246 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000636058023 470863017 /nfs/dbraw/zinc/86/30/17/470863017.db2.gz WRAJZIBHFSINKD-DODZYUBVSA-N 2 2 336.439 2.246 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000636058023 470863021 /nfs/dbraw/zinc/86/30/21/470863021.db2.gz WRAJZIBHFSINKD-DODZYUBVSA-N 2 2 336.439 2.246 10 0 EEAELP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480974 470911523 /nfs/dbraw/zinc/91/15/23/470911523.db2.gz KQDRAQHKSKBDHR-HOTGVXAUSA-N 2 2 332.444 2.430 10 0 EEAELP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480974 470911527 /nfs/dbraw/zinc/91/15/27/470911527.db2.gz KQDRAQHKSKBDHR-HOTGVXAUSA-N 2 2 332.444 2.430 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901834 471012438 /nfs/dbraw/zinc/01/24/38/471012438.db2.gz WDPFPLDREBSEAQ-RYQLBKOJSA-N 2 2 345.487 2.164 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901834 471012441 /nfs/dbraw/zinc/01/24/41/471012441.db2.gz WDPFPLDREBSEAQ-RYQLBKOJSA-N 2 2 345.487 2.164 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc3c1OCCCO3)CCO2 ZINC000648071445 471074965 /nfs/dbraw/zinc/07/49/65/471074965.db2.gz CEYAGGACRQIORJ-UHFFFAOYSA-N 2 2 332.444 2.145 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc3c1OCCCO3)CCO2 ZINC000648071445 471074970 /nfs/dbraw/zinc/07/49/70/471074970.db2.gz CEYAGGACRQIORJ-UHFFFAOYSA-N 2 2 332.444 2.145 10 0 EEAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000657357431 471112622 /nfs/dbraw/zinc/11/26/22/471112622.db2.gz NZGKBNQLQAJBCQ-KRWDZBQOSA-N 2 2 330.501 2.454 10 0 EEAELP Cc1ncsc1-c1ccc(C[NH2+]C[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000657357431 471112627 /nfs/dbraw/zinc/11/26/27/471112627.db2.gz NZGKBNQLQAJBCQ-KRWDZBQOSA-N 2 2 330.501 2.454 10 0 EEAELP O=C(N[C@H]1CCC[NH2+]CC1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000641044133 471178102 /nfs/dbraw/zinc/17/81/02/471178102.db2.gz UNPKLBHSUSJWFU-CVEARBPZSA-N 2 2 345.491 2.251 10 0 EEAELP CN1c2ccccc2C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000658109406 471266689 /nfs/dbraw/zinc/26/66/89/471266689.db2.gz BVFMPAUFQKFTJU-QGZVFWFLSA-N 2 2 336.439 2.228 10 0 EEAELP CCC[NH+]1CCC(NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658343080 471291328 /nfs/dbraw/zinc/29/13/28/471291328.db2.gz IPKSCPYOYVJDMY-OAQYLSRUSA-N 2 2 344.547 2.267 10 0 EEAELP CCC[NH+]1CCC(NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658343080 471291330 /nfs/dbraw/zinc/29/13/30/471291330.db2.gz IPKSCPYOYVJDMY-OAQYLSRUSA-N 2 2 344.547 2.267 10 0 EEAELP CCC[NH+]1CCC([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343080 471291332 /nfs/dbraw/zinc/29/13/32/471291332.db2.gz IPKSCPYOYVJDMY-OAQYLSRUSA-N 2 2 344.547 2.267 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000660434086 471340840 /nfs/dbraw/zinc/34/08/40/471340840.db2.gz PCZLEIVLGOOCSZ-MRXNPFEDSA-N 2 2 345.491 2.222 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000660434086 471340846 /nfs/dbraw/zinc/34/08/46/471340846.db2.gz PCZLEIVLGOOCSZ-MRXNPFEDSA-N 2 2 345.491 2.222 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663445636 471381376 /nfs/dbraw/zinc/38/13/76/471381376.db2.gz AYQTVTLCTJCDTM-INIZCTEOSA-N 2 2 334.508 2.493 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663445636 471381381 /nfs/dbraw/zinc/38/13/81/471381381.db2.gz AYQTVTLCTJCDTM-INIZCTEOSA-N 2 2 334.508 2.493 10 0 EEAELP CN(C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666506170 471426967 /nfs/dbraw/zinc/42/69/67/471426967.db2.gz SZDDBVLDXGUPCS-NEPXVJNWSA-N 2 2 348.535 2.233 10 0 EEAELP CN(C(=O)NC[C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666506170 471426970 /nfs/dbraw/zinc/42/69/70/471426970.db2.gz SZDDBVLDXGUPCS-NEPXVJNWSA-N 2 2 348.535 2.233 10 0 EEAELP CC(C)n1ncc2c1C[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000655760190 471473422 /nfs/dbraw/zinc/47/34/22/471473422.db2.gz LQYOTSZULXJQBK-MSOLQXFVSA-N 2 2 332.492 2.164 10 0 EEAELP CN(C(=O)NCCCC(C)(F)F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000656075399 471583049 /nfs/dbraw/zinc/58/30/49/471583049.db2.gz DNNGEILHRBOUFI-HNNXBMFYSA-N 2 2 346.466 2.232 10 0 EEAELP CN(C(=O)NCCCC(C)(F)F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000656075399 471583055 /nfs/dbraw/zinc/58/30/55/471583055.db2.gz DNNGEILHRBOUFI-HNNXBMFYSA-N 2 2 346.466 2.232 10 0 EEAELP Cc1cc(N2CCC(CO)([NH2+]C(C)C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000663957365 471588628 /nfs/dbraw/zinc/58/86/28/471588628.db2.gz GRCWPTGFRADFQS-UHFFFAOYSA-N 2 2 341.459 2.176 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N(CCC3CC3)CC3CC3)C2)CC1 ZINC000664129897 471648342 /nfs/dbraw/zinc/64/83/42/471648342.db2.gz KLOKWZVFLOAPDO-SFHVURJKSA-N 2 2 348.535 2.377 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N(CCC3CC3)CC3CC3)C2)CC1 ZINC000664129897 471648346 /nfs/dbraw/zinc/64/83/46/471648346.db2.gz KLOKWZVFLOAPDO-SFHVURJKSA-N 2 2 348.535 2.377 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CC[NH+](C)C3)n2)O1 ZINC000665009682 471925455 /nfs/dbraw/zinc/92/54/55/471925455.db2.gz PQEIFBAYUBZAEA-OIISXLGYSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CC[NH+](C)C3)n2)O1 ZINC000665009682 471925462 /nfs/dbraw/zinc/92/54/62/471925462.db2.gz PQEIFBAYUBZAEA-OIISXLGYSA-N 2 2 342.443 2.451 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CC[N@H+](C)C3)n2)O1 ZINC000665009682 471925467 /nfs/dbraw/zinc/92/54/67/471925467.db2.gz PQEIFBAYUBZAEA-OIISXLGYSA-N 2 2 342.443 2.451 10 0 EEAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](CC)Cn2cncn2)cc1 ZINC000665255241 471981877 /nfs/dbraw/zinc/98/18/77/471981877.db2.gz MQHQQPGZDRDRCA-WDSOQIARSA-N 2 2 343.475 2.191 10 0 EEAELP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274862 471986621 /nfs/dbraw/zinc/98/66/21/471986621.db2.gz ZSMSJJZCONMZJQ-GSEOLPGOSA-N 2 2 343.515 2.178 10 0 EEAELP C[C@H]1OCC[C@]12C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)O2 ZINC000668087381 472004354 /nfs/dbraw/zinc/00/43/54/472004354.db2.gz GBYLAQQGOHHGFL-RKVPGOIHSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@H]1OCC[C@]12C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@@H](C)O2 ZINC000668087381 472004359 /nfs/dbraw/zinc/00/43/59/472004359.db2.gz GBYLAQQGOHHGFL-RKVPGOIHSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319178 472068825 /nfs/dbraw/zinc/06/88/25/472068825.db2.gz KBZXYCUVVYICIG-AEFFLSMTSA-N 2 2 339.524 2.209 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319178 472068830 /nfs/dbraw/zinc/06/88/30/472068830.db2.gz KBZXYCUVVYICIG-AEFFLSMTSA-N 2 2 339.524 2.209 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000665540407 472085682 /nfs/dbraw/zinc/08/56/82/472085682.db2.gz JSAPFFFEHHQOGD-MRXNPFEDSA-N 2 2 326.444 2.153 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000665540407 472085689 /nfs/dbraw/zinc/08/56/89/472085689.db2.gz JSAPFFFEHHQOGD-MRXNPFEDSA-N 2 2 326.444 2.153 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000665540407 472085693 /nfs/dbraw/zinc/08/56/93/472085693.db2.gz JSAPFFFEHHQOGD-MRXNPFEDSA-N 2 2 326.444 2.153 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000665540407 472085699 /nfs/dbraw/zinc/08/56/99/472085699.db2.gz JSAPFFFEHHQOGD-MRXNPFEDSA-N 2 2 326.444 2.153 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662536935 472144094 /nfs/dbraw/zinc/14/40/94/472144094.db2.gz UZWSDCQMPMTBLN-PBHICJAKSA-N 2 2 343.393 2.353 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662536935 472144100 /nfs/dbraw/zinc/14/41/00/472144100.db2.gz UZWSDCQMPMTBLN-PBHICJAKSA-N 2 2 343.393 2.353 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000668793086 472271014 /nfs/dbraw/zinc/27/10/14/472271014.db2.gz DEGFGIFDWAGLMH-LJQANCHMSA-N 2 2 341.459 2.130 10 0 EEAELP CC1(C)CC(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1 ZINC000662947451 472306416 /nfs/dbraw/zinc/30/64/16/472306416.db2.gz QMQSBCJBKFMNNP-KRWDZBQOSA-N 2 2 326.444 2.106 10 0 EEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596588 485737861 /nfs/dbraw/zinc/73/78/61/485737861.db2.gz SFNFPQHDCSIBKG-GJJHYRHESA-N 2 2 329.488 2.492 10 0 EEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596588 485737868 /nfs/dbraw/zinc/73/78/68/485737868.db2.gz SFNFPQHDCSIBKG-GJJHYRHESA-N 2 2 329.488 2.492 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000677078820 486371412 /nfs/dbraw/zinc/37/14/12/486371412.db2.gz ZVSOBCUFDIEPIR-AWEZNQCLSA-N 2 2 349.398 2.063 10 0 EEAELP CCC[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@@H+]1CCOC ZINC000678005162 486547754 /nfs/dbraw/zinc/54/77/54/486547754.db2.gz IXUPESOBZSGDRG-MRXNPFEDSA-N 2 2 345.447 2.299 10 0 EEAELP CCC[C@@H]1CN(C(=O)Nc2ccc3[nH+]ccn3c2)CC[N@H+]1CCOC ZINC000678005162 486547755 /nfs/dbraw/zinc/54/77/55/486547755.db2.gz IXUPESOBZSGDRG-MRXNPFEDSA-N 2 2 345.447 2.299 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000533847217 490611667 /nfs/dbraw/zinc/61/16/67/490611667.db2.gz JMRAOQVWFXQSGM-SFHVURJKSA-N 2 2 339.443 2.485 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000533847217 490611672 /nfs/dbraw/zinc/61/16/72/490611672.db2.gz JMRAOQVWFXQSGM-SFHVURJKSA-N 2 2 339.443 2.485 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000533847217 490611677 /nfs/dbraw/zinc/61/16/77/490611677.db2.gz JMRAOQVWFXQSGM-SFHVURJKSA-N 2 2 339.443 2.485 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000533847217 490611680 /nfs/dbraw/zinc/61/16/80/490611680.db2.gz JMRAOQVWFXQSGM-SFHVURJKSA-N 2 2 339.443 2.485 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccccc2C)[C@H](C)C1 ZINC000174777544 527830571 /nfs/dbraw/zinc/83/05/71/527830571.db2.gz LHAHFDQHUHBFGZ-MJGOQNOKSA-N 2 2 331.504 2.316 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccccc2C)[C@H](C)C1 ZINC000174777544 527830575 /nfs/dbraw/zinc/83/05/75/527830575.db2.gz LHAHFDQHUHBFGZ-MJGOQNOKSA-N 2 2 331.504 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2ccccc2C)[C@H](C)C1 ZINC000174777544 527830579 /nfs/dbraw/zinc/83/05/79/527830579.db2.gz LHAHFDQHUHBFGZ-MJGOQNOKSA-N 2 2 331.504 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccccc2C)[C@H](C)C1 ZINC000174777544 527830580 /nfs/dbraw/zinc/83/05/80/527830580.db2.gz LHAHFDQHUHBFGZ-MJGOQNOKSA-N 2 2 331.504 2.316 10 0 EEAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000449395004 536527131 /nfs/dbraw/zinc/52/71/31/536527131.db2.gz PAODRHZDGVASJJ-DOTOQJQBSA-N 2 2 336.476 2.071 10 0 EEAELP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OC ZINC000449395004 536527137 /nfs/dbraw/zinc/52/71/37/536527137.db2.gz PAODRHZDGVASJJ-DOTOQJQBSA-N 2 2 336.476 2.071 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000451261012 535963000 /nfs/dbraw/zinc/96/30/00/535963000.db2.gz DUOPEDKEJHEELG-AZUAARDMSA-N 2 2 331.504 2.292 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[N@H+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000451261012 535963004 /nfs/dbraw/zinc/96/30/04/535963004.db2.gz DUOPEDKEJHEELG-AZUAARDMSA-N 2 2 331.504 2.292 10 0 EEAELP COc1ccccc1N1CCC([NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)CC1 ZINC000422838265 537062203 /nfs/dbraw/zinc/06/22/03/537062203.db2.gz NXJQHWXWGCNLIZ-DOTOQJQBSA-N 2 2 333.476 2.021 10 0 EEAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000924900222 681338583 /nfs/dbraw/zinc/33/85/83/681338583.db2.gz BDEJDALGEQITOR-DYVFJYSZSA-N 2 2 337.439 2.125 10 0 EEAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(O)cc(F)c1 ZINC000924900222 681338586 /nfs/dbraw/zinc/33/85/86/681338586.db2.gz BDEJDALGEQITOR-DYVFJYSZSA-N 2 2 337.439 2.125 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899047081 693583992 /nfs/dbraw/zinc/58/39/92/693583992.db2.gz JQRTVSZZTIQLGT-SNVBAGLBSA-N 2 2 346.822 2.252 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899047081 693583994 /nfs/dbraw/zinc/58/39/94/693583994.db2.gz JQRTVSZZTIQLGT-SNVBAGLBSA-N 2 2 346.822 2.252 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485814652 1191978653 /nfs/dbraw/zinc/97/86/53/1191978653.db2.gz CETYYWUMEJILFN-WMZOPIPTSA-N 2 2 332.492 2.318 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001266491424 1176628743 /nfs/dbraw/zinc/62/87/43/1176628743.db2.gz NIGKICAJSTUKDS-PSUYNTKASA-N 2 2 330.476 2.384 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001266491424 1176628747 /nfs/dbraw/zinc/62/87/47/1176628747.db2.gz NIGKICAJSTUKDS-PSUYNTKASA-N 2 2 330.476 2.384 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001266868820 1177637451 /nfs/dbraw/zinc/63/74/51/1177637451.db2.gz KIWZPGJQVPYHTI-CYBMUJFWSA-N 2 2 332.370 2.265 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001266868820 1177637456 /nfs/dbraw/zinc/63/74/56/1177637456.db2.gz KIWZPGJQVPYHTI-CYBMUJFWSA-N 2 2 332.370 2.265 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001266878038 1177687208 /nfs/dbraw/zinc/68/72/08/1177687208.db2.gz OVBWICMLVQMOAM-GOSISDBHSA-N 2 2 326.444 2.166 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@H]1CC[NH2+]CCC1CC1 ZINC001691310158 1177883489 /nfs/dbraw/zinc/88/34/89/1177883489.db2.gz YPHXHKFZWZROSB-YJBOKZPZSA-N 2 2 332.492 2.370 10 0 EEAELP CC(C)=CC[N@@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267295050 1178703475 /nfs/dbraw/zinc/70/34/75/1178703475.db2.gz PSNLZALORBGMCV-MRXNPFEDSA-N 2 2 330.476 2.166 10 0 EEAELP CC(C)=CC[N@H+]1CC[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001267295050 1178703479 /nfs/dbraw/zinc/70/34/79/1178703479.db2.gz PSNLZALORBGMCV-MRXNPFEDSA-N 2 2 330.476 2.166 10 0 EEAELP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1C ZINC001267386149 1178946074 /nfs/dbraw/zinc/94/60/74/1178946074.db2.gz WJFVEZSYYCRJMQ-HZPDHXFCSA-N 2 2 342.443 2.078 10 0 EEAELP COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1C ZINC001267386149 1178946079 /nfs/dbraw/zinc/94/60/79/1178946079.db2.gz WJFVEZSYYCRJMQ-HZPDHXFCSA-N 2 2 342.443 2.078 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]Cc1ccc(C)cc1 ZINC001267390295 1178955076 /nfs/dbraw/zinc/95/50/76/1178955076.db2.gz MFYDMTWQHVSBFR-UHFFFAOYSA-N 2 2 327.428 2.189 10 0 EEAELP CC(C)n1ccc(C[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001267390940 1178956405 /nfs/dbraw/zinc/95/64/05/1178956405.db2.gz QDFFYVDKAHMSQZ-UHFFFAOYSA-N 2 2 340.431 2.202 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001267393843 1178964108 /nfs/dbraw/zinc/96/41/08/1178964108.db2.gz VFEOCZWVDJAJCE-MRXNPFEDSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001267393843 1178964113 /nfs/dbraw/zinc/96/41/13/1178964113.db2.gz VFEOCZWVDJAJCE-MRXNPFEDSA-N 2 2 348.491 2.220 10 0 EEAELP CC[N@H+](CCNC(=O)C(C)(C)[NH+](C)C1CCCC1)Cc1ccn(C)n1 ZINC001480983923 1179424582 /nfs/dbraw/zinc/42/45/82/1179424582.db2.gz AAPIBOGJBVQNBP-UHFFFAOYSA-N 2 2 349.523 2.011 10 0 EEAELP CC[N@@H+](CCNC(=O)C(C)(C)[NH+](C)C1CCCC1)Cc1ccn(C)n1 ZINC001480983923 1179424588 /nfs/dbraw/zinc/42/45/88/1179424588.db2.gz AAPIBOGJBVQNBP-UHFFFAOYSA-N 2 2 349.523 2.011 10 0 EEAELP CC[NH+](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)Cc1ccn(C)n1 ZINC001480983923 1179424596 /nfs/dbraw/zinc/42/45/96/1179424596.db2.gz AAPIBOGJBVQNBP-UHFFFAOYSA-N 2 2 349.523 2.011 10 0 EEAELP CC[NH+](CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1)Cc1ccn(C)n1 ZINC001480983923 1179424600 /nfs/dbraw/zinc/42/46/00/1179424600.db2.gz AAPIBOGJBVQNBP-UHFFFAOYSA-N 2 2 349.523 2.011 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1)[NH+](CC)CC ZINC001481055881 1179643624 /nfs/dbraw/zinc/64/36/24/1179643624.db2.gz CWOGJZSKRDNSQP-IRXDYDNUSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1coc(C)n1)[NH+](CC)CC ZINC001481055881 1179643628 /nfs/dbraw/zinc/64/36/28/1179643628.db2.gz CWOGJZSKRDNSQP-IRXDYDNUSA-N 2 2 336.480 2.184 10 0 EEAELP CN(CC[NH2+]Cc1ccsc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481233707 1180368195 /nfs/dbraw/zinc/36/81/95/1180368195.db2.gz WIQYBHGITWJKMV-UHFFFAOYSA-N 2 2 332.473 2.072 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]CCC(F)(F)F)CCCC1 ZINC001267840481 1180618513 /nfs/dbraw/zinc/61/85/13/1180618513.db2.gz UXRFLLWTLRGWHE-UHFFFAOYSA-N 2 2 332.370 2.244 10 0 EEAELP Cc1cc(C)c(C[NH2+]CCN(C)C(=O)Cc2c[nH+]cn2C)c(C)c1 ZINC001481301878 1180961737 /nfs/dbraw/zinc/96/17/37/1180961737.db2.gz FJAHNQMXDMMIGF-UHFFFAOYSA-N 2 2 328.460 2.136 10 0 EEAELP CCc1cccc(C[NH2+]CCN(C)C(=O)CCc2c[nH+]cn2C)c1 ZINC001481309856 1180994573 /nfs/dbraw/zinc/99/45/73/1180994573.db2.gz KEDPSBXOKKURFO-UHFFFAOYSA-N 2 2 328.460 2.163 10 0 EEAELP COCCC[N@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001481515199 1181621309 /nfs/dbraw/zinc/62/13/09/1181621309.db2.gz FNLUXQBHKJIQCC-UHFFFAOYSA-N 2 2 344.459 2.155 10 0 EEAELP COCCC[N@@H+](C)CC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001481515199 1181621316 /nfs/dbraw/zinc/62/13/16/1181621316.db2.gz FNLUXQBHKJIQCC-UHFFFAOYSA-N 2 2 344.459 2.155 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481662496 1182175987 /nfs/dbraw/zinc/17/59/87/1182175987.db2.gz AWUSAEMGCLPPMO-CYBMUJFWSA-N 2 2 332.835 2.346 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268290939 1182180318 /nfs/dbraw/zinc/18/03/18/1182180318.db2.gz LAXDYTHFGAOYAE-VXGBXAGGSA-N 2 2 332.370 2.088 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]CC[C@H]3CCCO3)ccn12 ZINC001268364268 1182335885 /nfs/dbraw/zinc/33/58/85/1182335885.db2.gz BXTMGQHBPDMAPR-RHSMWYFYSA-N 2 2 344.459 2.310 10 0 EEAELP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268377778 1182401641 /nfs/dbraw/zinc/40/16/41/1182401641.db2.gz NNLPKCWHMAQTEN-GOEBONIOSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cncs1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268383417 1182416856 /nfs/dbraw/zinc/41/68/56/1182416856.db2.gz BAPHBJHUGOPJIM-LBPRGKRZSA-N 2 2 329.429 2.089 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268387227 1182427634 /nfs/dbraw/zinc/42/76/34/1182427634.db2.gz SADUFTOSALXMFD-GJZGRUSLSA-N 2 2 330.432 2.001 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)Cc1c[nH+]cn1C ZINC001268414164 1182567322 /nfs/dbraw/zinc/56/73/22/1182567322.db2.gz JHJMQWFTQJFITR-KBPBESRZSA-N 2 2 342.434 2.273 10 0 EEAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ncccc1C ZINC001481855772 1182815085 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Cc1nnsc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275434675 1205360029 /nfs/dbraw/zinc/36/00/29/1205360029.db2.gz WPOCVDCDVNEVGY-UWVGGRQHSA-N 2 2 344.444 2.019 10 0 EEAELP C[NH+](C)CCCC(C)(C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000924781306 1206031289 /nfs/dbraw/zinc/03/12/89/1206031289.db2.gz COQRBXMOAJHZNZ-UHFFFAOYSA-N 2 2 341.525 2.124 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924839116 1206040188 /nfs/dbraw/zinc/04/01/88/1206040188.db2.gz JSYDVNSRKJZIMI-JTQLQIEISA-N 2 2 335.395 2.192 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cnn(C2CCC2)c1 ZINC000925020873 1206061649 /nfs/dbraw/zinc/06/16/49/1206061649.db2.gz SHGVSEQRVQUUBM-OAHLLOKOSA-N 2 2 347.507 2.201 10 0 EEAELP Fc1ccc([C@@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)N2CCOCC2)cc1 ZINC000925503620 1206120338 /nfs/dbraw/zinc/12/03/38/1206120338.db2.gz IZHRIELDQWDTIY-MOPGFXCFSA-N 2 2 347.478 2.463 10 0 EEAELP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925784792 1206153499 /nfs/dbraw/zinc/15/34/99/1206153499.db2.gz SGSQDBZBDDGYEE-OLZOCXBDSA-N 2 2 342.386 2.134 10 0 EEAELP C[C@H](c1cccc(NC(=O)NC[C@@H]2CC[C@H]([NH3+])C2)c1)[NH+]1CCOCC1 ZINC000926017200 1206182240 /nfs/dbraw/zinc/18/22/40/1206182240.db2.gz HGLDNXKNISQDSD-INMHGKMJSA-N 2 2 346.475 2.329 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1COCC12OCCO2 ZINC000926569116 1206228140 /nfs/dbraw/zinc/22/81/40/1206228140.db2.gz GBIBTEYDWOUSOI-IKGGRYGDSA-N 2 2 338.492 2.009 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1COCC12OCCO2 ZINC000926569116 1206228141 /nfs/dbraw/zinc/22/81/41/1206228141.db2.gz GBIBTEYDWOUSOI-IKGGRYGDSA-N 2 2 338.492 2.009 10 0 EEAELP Cn1cc(CC[N@@H+]2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)nn1 ZINC000931224046 1206617414 /nfs/dbraw/zinc/61/74/14/1206617414.db2.gz HLBKDYPOSDEYSL-BGYRXZFFSA-N 2 2 339.487 2.202 10 0 EEAELP Cn1cc(CC[N@H+]2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@]3(C)C2)nn1 ZINC000931224046 1206617416 /nfs/dbraw/zinc/61/74/16/1206617416.db2.gz HLBKDYPOSDEYSL-BGYRXZFFSA-N 2 2 339.487 2.202 10 0 EEAELP Cn1cc(CC[NH+]2C[C@]3(C)C[N@H+](Cc4ccccc4)C[C@]3(C)C2)nn1 ZINC000931224046 1206617417 /nfs/dbraw/zinc/61/74/17/1206617417.db2.gz HLBKDYPOSDEYSL-BGYRXZFFSA-N 2 2 339.487 2.202 10 0 EEAELP Cn1cc(CC[NH+]2C[C@]3(C)C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)nn1 ZINC000931224046 1206617418 /nfs/dbraw/zinc/61/74/18/1206617418.db2.gz HLBKDYPOSDEYSL-BGYRXZFFSA-N 2 2 339.487 2.202 10 0 EEAELP CN(CCC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1cc[nH+]cc1 ZINC000779500217 1210395868 /nfs/dbraw/zinc/39/58/68/1210395868.db2.gz RCBDGYONTAFDSZ-INIZCTEOSA-N 2 2 329.448 2.336 10 0 EEAELP CCN1CC[C@H]([N@@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001413047965 1217360858 /nfs/dbraw/zinc/36/08/58/1217360858.db2.gz SEOYMCLOAOQKNQ-SESVDKBCSA-N 2 2 341.499 2.451 10 0 EEAELP CCN1CC[C@H]([N@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001413047965 1217360863 /nfs/dbraw/zinc/36/08/63/1217360863.db2.gz SEOYMCLOAOQKNQ-SESVDKBCSA-N 2 2 341.499 2.451 10 0 EEAELP CCN1CC[C@H]([NH+]2C[C@@]3(C)C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001413047965 1217360867 /nfs/dbraw/zinc/36/08/67/1217360867.db2.gz SEOYMCLOAOQKNQ-SESVDKBCSA-N 2 2 341.499 2.451 10 0 EEAELP CCN1CC[C@H]([NH+]2C[C@@]3(C)C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001413047965 1217360870 /nfs/dbraw/zinc/36/08/70/1217360870.db2.gz SEOYMCLOAOQKNQ-SESVDKBCSA-N 2 2 341.499 2.451 10 0 EEAELP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901284436 1235477931 /nfs/dbraw/zinc/47/79/31/1235477931.db2.gz CRDODQWBGSCYTN-HZPDHXFCSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901284436 1235477938 /nfs/dbraw/zinc/47/79/38/1235477938.db2.gz CRDODQWBGSCYTN-HZPDHXFCSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000902793364 1238544470 /nfs/dbraw/zinc/54/44/70/1238544470.db2.gz IKIYBZUFRPVYKT-SJORKVTESA-N 3 2 327.476 2.159 10 0 EEAELP CCCn1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)nn1 ZINC000902948698 1239165610 /nfs/dbraw/zinc/16/56/10/1239165610.db2.gz VFVQNYRBEOUCQD-QAPCUYQASA-N 2 2 343.475 2.106 10 0 EEAELP CCCn1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)nn1 ZINC000902948698 1239165616 /nfs/dbraw/zinc/16/56/16/1239165616.db2.gz VFVQNYRBEOUCQD-QAPCUYQASA-N 2 2 343.475 2.106 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]CCC2SCCS2)CC1 ZINC000827667596 1248626821 /nfs/dbraw/zinc/62/68/21/1248626821.db2.gz ACDIRTKVGWIANA-UHFFFAOYSA-N 2 2 332.535 2.190 10 0 EEAELP CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001490948863 1258502520 /nfs/dbraw/zinc/50/25/20/1258502520.db2.gz ROQSMCWDAVYVGT-GWEOLNPGSA-N 2 2 332.492 2.416 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]Cc2cc(O)ccc2Cl)C1 ZINC001491040370 1258596796 /nfs/dbraw/zinc/59/67/96/1258596796.db2.gz VSJULTFAMXWSBS-OKILXGFUSA-N 2 2 348.834 2.069 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C/Cl)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001491355619 1258988478 /nfs/dbraw/zinc/98/84/78/1258988478.db2.gz HANYVJMHKZGZON-PMWJGJNOSA-N 2 2 336.867 2.215 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC001491456437 1259101196 /nfs/dbraw/zinc/10/11/96/1259101196.db2.gz MXSQVYKWCOMGPC-ZBFHGGJFSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC001491456437 1259101201 /nfs/dbraw/zinc/10/12/01/1259101201.db2.gz MXSQVYKWCOMGPC-ZBFHGGJFSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCc1ccccc1 ZINC001491507426 1259158953 /nfs/dbraw/zinc/15/89/53/1259158953.db2.gz JMAVSZGSHOQLER-AEFFLSMTSA-N 2 2 340.471 2.173 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273616784 1281297351 /nfs/dbraw/zinc/29/73/51/1281297351.db2.gz ZECYSJZEJSQFCV-IAGOWNOFSA-N 2 2 326.444 2.162 10 0 EEAELP Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001488953626 1290293110 /nfs/dbraw/zinc/29/31/10/1290293110.db2.gz MCSXXUDZLKNQTR-DLBZAZTESA-N 2 2 326.444 2.335 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1CC[C@H]1CCCO1 ZINC001489150630 1290408287 /nfs/dbraw/zinc/40/82/87/1290408287.db2.gz QJYQFHBEPZBMDS-FGTMMUONSA-N 2 2 348.491 2.202 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1CC[C@H]1CCCO1 ZINC001489150630 1290408292 /nfs/dbraw/zinc/40/82/92/1290408292.db2.gz QJYQFHBEPZBMDS-FGTMMUONSA-N 2 2 348.491 2.202 10 0 EEAELP CCOCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001490309709 1291181133 /nfs/dbraw/zinc/18/11/33/1291181133.db2.gz MQCDLOYGHBZPPM-WBVHZDCISA-N 2 2 336.480 2.046 10 0 EEAELP COc1ccc2oc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c2c1 ZINC000855416329 1293210601 /nfs/dbraw/zinc/21/06/01/1293210601.db2.gz KZNHGTPTGTYGAR-UHFFFAOYSA-N 2 2 347.459 2.363 10 0 EEAELP COc1ccc2oc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c2c1 ZINC000855416329 1293210605 /nfs/dbraw/zinc/21/06/05/1293210605.db2.gz KZNHGTPTGTYGAR-UHFFFAOYSA-N 2 2 347.459 2.363 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000857990416 1293981635 /nfs/dbraw/zinc/98/16/35/1293981635.db2.gz UAEKKEABFDPANR-KRWDZBQOSA-N 2 2 342.443 2.479 10 0 EEAELP CC[C@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC[C@@H]1[NH2+]CCOC ZINC001276737468 1297114545 /nfs/dbraw/zinc/11/45/45/1297114545.db2.gz ADDRNPGJWDSCLJ-RDJZCZTQSA-N 2 2 344.459 2.119 10 0 EEAELP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000931349142 1297153097 /nfs/dbraw/zinc/15/30/97/1297153097.db2.gz UWFYRORORZICGY-OAHLLOKOSA-N 2 2 326.868 2.496 10 0 EEAELP C[NH+](C)C1(C)CCN(C/C=C/C[NH+]2CCC(C)([NH+](C)C)CC2)CC1 ZINC000931355719 1297154039 /nfs/dbraw/zinc/15/40/39/1297154039.db2.gz WQKDIKCGTHMEMQ-BQYQJAHWSA-N 3 2 336.568 2.375 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001263958409 1322570524 /nfs/dbraw/zinc/57/05/24/1322570524.db2.gz NFCKMCINCXWSBC-DOTOQJQBSA-N 2 2 341.459 2.154 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001264092963 1322616255 /nfs/dbraw/zinc/61/62/55/1322616255.db2.gz CDIBIGIKMJUWML-KKSLTYSGSA-N 2 2 344.503 2.489 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]2C1 ZINC001264092963 1322616259 /nfs/dbraw/zinc/61/62/59/1322616259.db2.gz CDIBIGIKMJUWML-KKSLTYSGSA-N 2 2 344.503 2.489 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH2+]CCOC1CCC1 ZINC001264517273 1322721501 /nfs/dbraw/zinc/72/15/01/1322721501.db2.gz DJHKPLJHECHILW-RDJZCZTQSA-N 2 2 348.491 2.128 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+]1CCOCC(C)C ZINC001264609693 1322750538 /nfs/dbraw/zinc/75/05/38/1322750538.db2.gz ABAUUPZXZNNVAR-XLMAVXFVSA-N 2 2 348.491 2.155 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+]1CCOCC(C)C ZINC001264609693 1322750544 /nfs/dbraw/zinc/75/05/44/1322750544.db2.gz ABAUUPZXZNNVAR-XLMAVXFVSA-N 2 2 348.491 2.155 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+]1CCOCC(C)C ZINC001264609693 1322750548 /nfs/dbraw/zinc/75/05/48/1322750548.db2.gz ABAUUPZXZNNVAR-XLMAVXFVSA-N 2 2 348.491 2.155 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+]1CCOCC(C)C ZINC001264609693 1322750553 /nfs/dbraw/zinc/75/05/53/1322750553.db2.gz ABAUUPZXZNNVAR-XLMAVXFVSA-N 2 2 348.491 2.155 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@@H]([NH2+]CCCc2cccc(C)c2)C1 ZINC001265505062 1323187224 /nfs/dbraw/zinc/18/72/24/1323187224.db2.gz TZQKREPHLUYSII-IYARVYRRSA-N 2 2 340.471 2.439 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001265615912 1323269660 /nfs/dbraw/zinc/26/96/60/1323269660.db2.gz RARXRRZPCGJKEC-DLBZAZTESA-N 2 2 330.476 2.074 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001265625944 1323276456 /nfs/dbraw/zinc/27/64/56/1323276456.db2.gz KYJXZTIPMXYIFV-CHWSQXEVSA-N 2 2 346.397 2.369 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001265625944 1323276461 /nfs/dbraw/zinc/27/64/61/1323276461.db2.gz KYJXZTIPMXYIFV-CHWSQXEVSA-N 2 2 346.397 2.369 10 0 EEAELP CC/C=C/CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001280406218 1324204434 /nfs/dbraw/zinc/20/44/34/1324204434.db2.gz KZVPZOSXZLGWTQ-ZBKUBXTQSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C/CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001280406218 1324204439 /nfs/dbraw/zinc/20/44/39/1324204439.db2.gz KZVPZOSXZLGWTQ-ZBKUBXTQSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001280406218 1324204444 /nfs/dbraw/zinc/20/44/44/1324204444.db2.gz KZVPZOSXZLGWTQ-ZBKUBXTQSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001280406218 1324204448 /nfs/dbraw/zinc/20/44/48/1324204448.db2.gz KZVPZOSXZLGWTQ-ZBKUBXTQSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)[NH2+]CCCN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001283351029 1326024196 /nfs/dbraw/zinc/02/41/96/1326024196.db2.gz OSJURUDZSFVPOA-UHFFFAOYSA-N 2 2 328.460 2.380 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001284067416 1326390830 /nfs/dbraw/zinc/39/08/30/1326390830.db2.gz BDJGEOROAZPRMZ-PKOBYXMFSA-N 2 2 348.491 2.059 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@H]12 ZINC001284067416 1326390833 /nfs/dbraw/zinc/39/08/33/1326390833.db2.gz BDJGEOROAZPRMZ-PKOBYXMFSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@H]1[N@H+](CCOCC(C)C)CC2 ZINC001284073234 1326394488 /nfs/dbraw/zinc/39/44/88/1326394488.db2.gz ZUIOVVUINTXUSK-IEBWSBKVSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCOCC(C)C)CC2 ZINC001284073234 1326394491 /nfs/dbraw/zinc/39/44/91/1326394491.db2.gz ZUIOVVUINTXUSK-IEBWSBKVSA-N 2 2 348.491 2.046 10 0 EEAELP COCCC[NH+]1CCC([C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001284719868 1326681479 /nfs/dbraw/zinc/68/14/79/1326681479.db2.gz SKSLBYGPUPLYNQ-AWEZNQCLSA-N 2 2 344.459 2.430 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001491813245 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2.348 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[NH2+]Cc1cccc(F)c1Cl ZINC001317659037 1332354453 /nfs/dbraw/zinc/35/44/53/1332354453.db2.gz ZIOASTXGOHKOOG-UHFFFAOYSA-N 2 2 338.814 2.301 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC[C@@H](C)F ZINC001317693005 1332375850 /nfs/dbraw/zinc/37/58/50/1332375850.db2.gz GGXAEJCHNOSZFZ-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC[C@@H](C)F ZINC001317693005 1332375851 /nfs/dbraw/zinc/37/58/51/1332375851.db2.gz GGXAEJCHNOSZFZ-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP Cc1ccncc1C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)c1ccccc1 ZINC001317728196 1332391258 /nfs/dbraw/zinc/39/12/58/1332391258.db2.gz FWVCHBBJUFONMB-IBGZPJMESA-N 2 2 349.438 2.234 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]Cc2nccs2)C1 ZINC001318822799 1332604653 /nfs/dbraw/zinc/60/46/53/1332604653.db2.gz UBXJNKUCWZDBOU-HNNXBMFYSA-N 2 2 347.488 2.148 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1 ZINC001318975760 1332631334 /nfs/dbraw/zinc/63/13/34/1332631334.db2.gz FQENZRUKZQPIBL-JYJNAYRXSA-N 2 2 348.491 2.174 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1 ZINC001318975760 1332631338 /nfs/dbraw/zinc/63/13/38/1332631338.db2.gz FQENZRUKZQPIBL-JYJNAYRXSA-N 2 2 348.491 2.174 10 0 EEAELP Cc1cccnc1C[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001319008924 1332636385 /nfs/dbraw/zinc/63/63/85/1332636385.db2.gz NXIUQTMYXNGSQX-UHFFFAOYSA-N 2 2 349.438 2.193 10 0 EEAELP C[C@@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001320608574 1332920220 /nfs/dbraw/zinc/92/02/20/1332920220.db2.gz OOHFUAZNGLXDDQ-ZDUSSCGKSA-N 2 2 342.434 2.273 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CC[C@H](C)O1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001320734961 1332943007 /nfs/dbraw/zinc/94/30/07/1332943007.db2.gz PCTSTXOZNISNQL-DOTOQJQBSA-N 2 2 344.459 2.262 10 0 EEAELP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2cc(C(C)(C)C)on2)CC[N@@H+]1C ZINC001321063878 1333008953 /nfs/dbraw/zinc/00/89/53/1333008953.db2.gz JIBAVYAKTMHQNR-SAABFPIUSA-N 2 2 348.491 2.074 10 0 EEAELP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]Cc2cc(C(C)(C)C)on2)CC[N@H+]1C ZINC001321063878 1333008957 /nfs/dbraw/zinc/00/89/57/1333008957.db2.gz JIBAVYAKTMHQNR-SAABFPIUSA-N 2 2 348.491 2.074 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1ccccc1F)[C@H]1CCn2c[nH+]cc2C1 ZINC001321128254 1333026328 /nfs/dbraw/zinc/02/63/28/1333026328.db2.gz VTKPZPLMJYIUBO-BWPKMQGJSA-N 2 2 342.418 2.047 10 0 EEAELP CC[C@H](F)C[NH2+]C/C=C/CNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001321177967 1333038402 /nfs/dbraw/zinc/03/84/02/1333038402.db2.gz MGBKVSDMTLOPHX-CWDCEQMOSA-N 2 2 330.407 2.496 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001322792220 1333327292 /nfs/dbraw/zinc/32/72/92/1333327292.db2.gz IJNNMCMOWLWTLI-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP CC(C)CCC[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001323442128 1333465364 /nfs/dbraw/zinc/46/53/64/1333465364.db2.gz KGIWXNKUOVFDBM-UHFFFAOYSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)OCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001323660159 1333510791 /nfs/dbraw/zinc/51/07/91/1333510791.db2.gz ITUCVXZNKUQYRA-AYHJJNSGSA-N 2 2 348.491 2.200 10 0 EEAELP CCC/C=C/CC[NH+]1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001323980341 1333583054 /nfs/dbraw/zinc/58/30/54/1333583054.db2.gz AUYQCGADAQAOMO-KGVXHEBISA-N 2 2 330.476 2.413 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCOC2CCC2)CCN1C(=O)CCCn1cc[nH+]c1 ZINC001324100617 1333609794 /nfs/dbraw/zinc/60/97/94/1333609794.db2.gz GGNBHHHANWMESO-SJORKVTESA-N 2 2 348.491 2.202 10 0 EEAELP CC/C=C/CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001328485276 1334466236 /nfs/dbraw/zinc/46/62/36/1334466236.db2.gz HNJLSQGOMVQWSO-ONEGZZNKSA-N 2 2 346.475 2.002 10 0 EEAELP C[C@@H](O)CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001329316187 1334626104 /nfs/dbraw/zinc/62/61/04/1334626104.db2.gz BKRTXYATVQMNOA-OAHLLOKOSA-N 2 2 346.475 2.183 10 0 EEAELP C[NH+](C)CCCCC(=O)NCC1[C@H]2C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001330360902 1334829260 /nfs/dbraw/zinc/82/92/60/1334829260.db2.gz UVWBPJIPXLBHQF-ALKFOKLCSA-N 2 2 348.318 2.331 10 0 EEAELP C[NH+](C)CCCCC(=O)NCC1[C@H]2C[N@H+](C/C(Cl)=C/Cl)C[C@@H]12 ZINC001330360902 1334829265 /nfs/dbraw/zinc/82/92/65/1334829265.db2.gz UVWBPJIPXLBHQF-ALKFOKLCSA-N 2 2 348.318 2.331 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001332084213 1335723468 /nfs/dbraw/zinc/72/34/68/1335723468.db2.gz UXQUQDMAWISXSS-ONXVSQJMSA-N 2 2 349.519 2.177 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001332084213 1335723472 /nfs/dbraw/zinc/72/34/72/1335723472.db2.gz UXQUQDMAWISXSS-ONXVSQJMSA-N 2 2 349.519 2.177 10 0 EEAELP CCC/C=C\CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001332084213 1335723473 /nfs/dbraw/zinc/72/34/73/1335723473.db2.gz UXQUQDMAWISXSS-ONXVSQJMSA-N 2 2 349.519 2.177 10 0 EEAELP CCC/C=C\CC[NH+]1CC[C@]2(NC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001332084213 1335723478 /nfs/dbraw/zinc/72/34/78/1335723478.db2.gz UXQUQDMAWISXSS-ONXVSQJMSA-N 2 2 349.519 2.177 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)[C@@H](C)C[NH2+]CC[C@H](C)F)[nH+]c12 ZINC001667012965 1355632512 /nfs/dbraw/zinc/63/25/12/1355632512.db2.gz HEPDYYDSQWBAAO-GJZGRUSLSA-N 2 2 334.439 2.370 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1ccc(C)c(C)c1 ZINC001669162261 1356112483 /nfs/dbraw/zinc/11/24/83/1356112483.db2.gz NRWWSUGDNBETPU-PLNGDYQASA-N 2 2 326.444 2.340 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1OC1CC1 ZINC001499120836 1342108502 /nfs/dbraw/zinc/10/85/02/1342108502.db2.gz WQHPTOOZLKDRAL-KRWDZBQOSA-N 2 2 343.471 2.014 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1ccccc1OC1CC1 ZINC001499120836 1342108505 /nfs/dbraw/zinc/10/85/05/1342108505.db2.gz WQHPTOOZLKDRAL-KRWDZBQOSA-N 2 2 343.471 2.014 10 0 EEAELP Cc1cncc(C[N@@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001506583167 1342260001 /nfs/dbraw/zinc/26/00/01/1342260001.db2.gz OUNBEHKFXRPKFD-SFHVURJKSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1cncc(C[N@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001506583167 1342260008 /nfs/dbraw/zinc/26/00/08/1342260008.db2.gz OUNBEHKFXRPKFD-SFHVURJKSA-N 2 2 341.459 2.148 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC[C@@H]1CC1(Cl)Cl ZINC001567386616 1342750777 /nfs/dbraw/zinc/75/07/77/1342750777.db2.gz KCMDLBLLHCJOLB-OLZOCXBDSA-N 2 2 345.274 2.048 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CC[C@@H]1CC1(Cl)Cl ZINC001567386616 1342750782 /nfs/dbraw/zinc/75/07/82/1342750782.db2.gz KCMDLBLLHCJOLB-OLZOCXBDSA-N 2 2 345.274 2.048 10 0 EEAELP CCc1cnc(C[NH2+]CCN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001567612663 1342794342 /nfs/dbraw/zinc/79/43/42/1342794342.db2.gz FOAHHEFJJNBAJO-SFHVURJKSA-N 2 2 344.459 2.088 10 0 EEAELP CCC/C=C\CC[NH+]1CC(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567833393 1342848262 /nfs/dbraw/zinc/84/82/62/1342848262.db2.gz OJVKVTRJEGLRDC-CHYADLBTSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001570511504 1343077223 /nfs/dbraw/zinc/07/72/23/1343077223.db2.gz RUYQXKHHGLGLLL-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2=CC[N@H+](CC[C@H](C)F)CC2)c[nH+]1 ZINC001677575512 1357360183 /nfs/dbraw/zinc/36/01/83/1357360183.db2.gz WKQOCUUQDMMEPC-AWEZNQCLSA-N 2 2 336.455 2.423 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2=CC[N@@H+](CC[C@H](C)F)CC2)c[nH+]1 ZINC001677575512 1357360186 /nfs/dbraw/zinc/36/01/86/1357360186.db2.gz WKQOCUUQDMMEPC-AWEZNQCLSA-N 2 2 336.455 2.423 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1[nH]nc2c1COCC2 ZINC001650052964 1353702318 /nfs/dbraw/zinc/70/23/18/1353702318.db2.gz GQRBOKYANXRQPA-YJBOKZPZSA-N 2 2 340.471 2.483 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1[nH]nc2c1COCC2 ZINC001650052964 1353702321 /nfs/dbraw/zinc/70/23/21/1353702321.db2.gz GQRBOKYANXRQPA-YJBOKZPZSA-N 2 2 340.471 2.483 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccon1 ZINC001656768221 1354272352 /nfs/dbraw/zinc/27/23/52/1354272352.db2.gz XRCMEIHMFFTQRK-ZWKOTPCHSA-N 2 2 348.491 2.410 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccon1 ZINC001656768221 1354272357 /nfs/dbraw/zinc/27/23/57/1354272357.db2.gz XRCMEIHMFFTQRK-ZWKOTPCHSA-N 2 2 348.491 2.410 10 0 EEAELP CC(C)C[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001660685852 1354516705 /nfs/dbraw/zinc/51/67/05/1354516705.db2.gz VKLGISPKBXVGOZ-SFHVURJKSA-N 2 2 347.507 2.417 10 0 EEAELP CC(C)C[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)C1CC1 ZINC001660685852 1354516708 /nfs/dbraw/zinc/51/67/08/1354516708.db2.gz VKLGISPKBXVGOZ-SFHVURJKSA-N 2 2 347.507 2.417 10 0 EEAELP CC(C)C[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001660685852 1354516710 /nfs/dbraw/zinc/51/67/10/1354516710.db2.gz VKLGISPKBXVGOZ-SFHVURJKSA-N 2 2 347.507 2.417 10 0 EEAELP CC(C)C[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001660685852 1354516711 /nfs/dbraw/zinc/51/67/11/1354516711.db2.gz VKLGISPKBXVGOZ-SFHVURJKSA-N 2 2 347.507 2.417 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001661723979 1354681741 /nfs/dbraw/zinc/68/17/41/1354681741.db2.gz SRNAOZZOPXNMMQ-OAHLLOKOSA-N 2 2 344.459 2.431 10 0 EEAELP CCOCCC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001661723979 1354681744 /nfs/dbraw/zinc/68/17/44/1354681744.db2.gz SRNAOZZOPXNMMQ-OAHLLOKOSA-N 2 2 344.459 2.431 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001663119994 1354921884 /nfs/dbraw/zinc/92/18/84/1354921884.db2.gz PHTBINKIYRGBQL-DLBZAZTESA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC001663119994 1354921885 /nfs/dbraw/zinc/92/18/85/1354921885.db2.gz PHTBINKIYRGBQL-DLBZAZTESA-N 2 2 348.491 2.048 10 0 EEAELP Cc1ncc(C[N@H+](C)CCNC(=O)c2ccc3c[nH+]cn3c2C)s1 ZINC001663219118 1354937327 /nfs/dbraw/zinc/93/73/27/1354937327.db2.gz ZDDKHQVCPXVMQN-UHFFFAOYSA-N 2 2 343.456 2.269 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCNC(=O)c2ccc3c[nH+]cn3c2C)s1 ZINC001663219118 1354937328 /nfs/dbraw/zinc/93/73/28/1354937328.db2.gz ZDDKHQVCPXVMQN-UHFFFAOYSA-N 2 2 343.456 2.269 10 0 EEAELP O=C(NC[C@H]1CCC[N@H+]1CCCCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001663508259 1354975407 /nfs/dbraw/zinc/97/54/07/1354975407.db2.gz KMLDSONDAPQQPE-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NC[C@H]1CCC[N@@H+]1CCCCCF)[C@H]1CCc2[nH+]ccn2C1 ZINC001663508259 1354975409 /nfs/dbraw/zinc/97/54/09/1354975409.db2.gz KMLDSONDAPQQPE-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)C1([NH+](C)C)CCC1 ZINC001663981797 1355067916 /nfs/dbraw/zinc/06/79/16/1355067916.db2.gz VRBFOGPYMPMCAD-UHFFFAOYSA-N 2 2 336.480 2.004 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001664028233 1355076770 /nfs/dbraw/zinc/07/67/70/1355076770.db2.gz JKCPZKIUHFTGQU-GOSISDBHSA-N 2 2 340.471 2.126 10 0 EEAELP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC001665642811 1355345472 /nfs/dbraw/zinc/34/54/72/1355345472.db2.gz ZPVITIFQFLYJAF-MRXNPFEDSA-N 2 2 342.443 2.136 10 0 EEAELP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC001665642811 1355345476 /nfs/dbraw/zinc/34/54/76/1355345476.db2.gz ZPVITIFQFLYJAF-MRXNPFEDSA-N 2 2 342.443 2.136 10 0 EEAELP CCN(CC[NH2+]CCC1CCCC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001668586330 1355968379 /nfs/dbraw/zinc/96/83/79/1355968379.db2.gz FEXUUHWBPAAFCY-UHFFFAOYSA-N 2 2 339.524 2.116 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1nccs1)c1ccccc1 ZINC001669209120 1356127108 /nfs/dbraw/zinc/12/71/08/1356127108.db2.gz YKIDYQDZIFFVTC-DKRLNXSXSA-N 2 2 344.484 2.208 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCc1ccccc1 ZINC001672314839 1356499286 /nfs/dbraw/zinc/49/92/86/1356499286.db2.gz DLXRBZVBJLBFOP-FUHWJXTLSA-N 2 2 340.471 2.269 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001672538321 1356550318 /nfs/dbraw/zinc/55/03/18/1356550318.db2.gz PCYAVZBRUGRALK-RYQLBKOJSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001672538321 1356550323 /nfs/dbraw/zinc/55/03/23/1356550323.db2.gz PCYAVZBRUGRALK-RYQLBKOJSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001672538321 1356550324 /nfs/dbraw/zinc/55/03/24/1356550324.db2.gz PCYAVZBRUGRALK-RYQLBKOJSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001672538321 1356550327 /nfs/dbraw/zinc/55/03/27/1356550327.db2.gz PCYAVZBRUGRALK-RYQLBKOJSA-N 2 2 348.491 2.080 10 0 EEAELP CN(CC(C)(C)C[NH2+]CC=C(Cl)Cl)C(=O)Cc1c[nH+]cn1C ZINC001674869277 1356904904 /nfs/dbraw/zinc/90/49/04/1356904904.db2.gz HTPIBADRIXNWOC-UHFFFAOYSA-N 2 2 347.290 2.356 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CCCc1ccccc1 ZINC001698854368 1405112175 /nfs/dbraw/zinc/11/21/75/1405112175.db2.gz IASMFLXPRXSKDF-HNNXBMFYSA-N 2 2 328.460 2.330 10 0 EEAELP CN(CCC[NH2+]CC[C@@H]1CCCCO1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699545144 1405379314 /nfs/dbraw/zinc/37/93/14/1405379314.db2.gz GCMFIUIWIMYHGT-HNNXBMFYSA-N 2 2 336.480 2.085 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)CCc2c[nH+]cn2C)s1 ZINC001699549914 1405385293 /nfs/dbraw/zinc/38/52/93/1405385293.db2.gz YMUGRQSZUMCFQV-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)oc(=O)n2C ZINC000816519025 784096074 /nfs/dbraw/zinc/09/60/74/784096074.db2.gz VSQGICJFBYLSJK-OAHLLOKOSA-N 2 2 326.400 2.301 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)oc(=O)n2C ZINC000816519025 784096082 /nfs/dbraw/zinc/09/60/82/784096082.db2.gz VSQGICJFBYLSJK-OAHLLOKOSA-N 2 2 326.400 2.301 10 0 EEAELP C/C(=C\C(=O)Nc1ccc(C[NH+](C)C)cc1F)C[NH+]1CCOCC1 ZINC000910425793 786756284 /nfs/dbraw/zinc/75/62/84/786756284.db2.gz ZUMVSTRREGYGFO-GXDHUFHOSA-N 2 2 335.423 2.104 10 0 EEAELP Cc1cc([C@@H]([NH3+])CC(=O)NC[C@@H](C)Cn2cc[nH+]c2)cc(Cl)n1 ZINC000844174918 788886880 /nfs/dbraw/zinc/88/68/80/788886880.db2.gz DNMMIYDUQMCVKF-RISCZKNCSA-N 2 2 335.839 2.082 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000844188338 788894316 /nfs/dbraw/zinc/89/43/16/788894316.db2.gz QMNYEXIIENHANK-CFVMTHIKSA-N 2 2 329.435 2.095 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000844188338 788894324 /nfs/dbraw/zinc/89/43/24/788894324.db2.gz QMNYEXIIENHANK-CFVMTHIKSA-N 2 2 329.435 2.095 10 0 EEAELP COC(=O)c1ccc(N2CC[N@H+](CCC[NH2+]C3CC3)[C@@H](C)C2)cc1 ZINC000923370606 789447989 /nfs/dbraw/zinc/44/79/89/789447989.db2.gz WMDGHBMUVVYMHU-HNNXBMFYSA-N 2 2 331.460 2.126 10 0 EEAELP COC(=O)c1ccc(N2CC[N@@H+](CCC[NH2+]C3CC3)[C@@H](C)C2)cc1 ZINC000923370606 789447995 /nfs/dbraw/zinc/44/79/95/789447995.db2.gz WMDGHBMUVVYMHU-HNNXBMFYSA-N 2 2 331.460 2.126 10 0 EEAELP c1ccc(-n2nnnc2C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923504412 789688742 /nfs/dbraw/zinc/68/87/42/789688742.db2.gz XGPKZKFKIWCDIU-MRXNPFEDSA-N 2 2 340.475 2.264 10 0 EEAELP COC(=O)[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000952995442 796183276 /nfs/dbraw/zinc/18/32/76/796183276.db2.gz MEROEFKZMBGIRV-SJORKVTESA-N 2 2 346.471 2.303 10 0 EEAELP COC(=O)[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000952995442 796183278 /nfs/dbraw/zinc/18/32/78/796183278.db2.gz MEROEFKZMBGIRV-SJORKVTESA-N 2 2 346.471 2.303 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH2+]Cc1nccs1 ZINC001565940920 1125467486 /nfs/dbraw/zinc/46/74/86/1125467486.db2.gz FWMPTNTYPPVLHA-KGLIPLIRSA-N 2 2 347.488 2.216 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)CC[C@H]3CCCO3)ccn12 ZINC001566453918 1125613765 /nfs/dbraw/zinc/61/37/65/1125613765.db2.gz KJKDFBPCLDSEBF-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)CC[C@H]3CCCO3)ccn12 ZINC001566453918 1125613770 /nfs/dbraw/zinc/61/37/70/1125613770.db2.gz KJKDFBPCLDSEBF-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001566495319 1125662177 /nfs/dbraw/zinc/66/21/77/1125662177.db2.gz DQZGVTQDDYWGLJ-ZDUSSCGKSA-N 2 2 335.477 2.237 10 0 EEAELP Cc1ncc(C[N@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001566495319 1125662182 /nfs/dbraw/zinc/66/21/82/1125662182.db2.gz DQZGVTQDDYWGLJ-ZDUSSCGKSA-N 2 2 335.477 2.237 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cnc(C)s1 ZINC001566574249 1125753953 /nfs/dbraw/zinc/75/39/53/1125753953.db2.gz NOALURWGNUKNAR-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cnc(C)s1 ZINC001566574249 1125753958 /nfs/dbraw/zinc/75/39/58/1125753958.db2.gz NOALURWGNUKNAR-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP CCO[C@@H](C[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1)C1CC1 ZINC001436481273 1087965189 /nfs/dbraw/zinc/96/51/89/1087965189.db2.gz VZUJURDCJFWXFL-WMZOPIPTSA-N 2 2 348.491 2.128 10 0 EEAELP CCc1cnc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001436491411 1087991755 /nfs/dbraw/zinc/99/17/55/1087991755.db2.gz HMUJYJVRBQUHDD-HNNXBMFYSA-N 2 2 336.480 2.002 10 0 EEAELP CCc1cnc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)o1 ZINC001436491411 1087991766 /nfs/dbraw/zinc/99/17/66/1087991766.db2.gz HMUJYJVRBQUHDD-HNNXBMFYSA-N 2 2 336.480 2.002 10 0 EEAELP CC(C)OCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001436996193 1088732526 /nfs/dbraw/zinc/73/25/26/1088732526.db2.gz LULDIYNSATXSHR-IRXDYDNUSA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)OCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001436996193 1088732537 /nfs/dbraw/zinc/73/25/37/1088732537.db2.gz LULDIYNSATXSHR-IRXDYDNUSA-N 2 2 336.480 2.087 10 0 EEAELP CCc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)o1 ZINC001437049140 1088936216 /nfs/dbraw/zinc/93/62/16/1088936216.db2.gz ZGJBWQWASBYDSJ-OAHLLOKOSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)o1 ZINC001437049140 1088936230 /nfs/dbraw/zinc/93/62/30/1088936230.db2.gz ZGJBWQWASBYDSJ-OAHLLOKOSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001437049140 1088936261 /nfs/dbraw/zinc/93/62/61/1088936261.db2.gz ZGJBWQWASBYDSJ-OAHLLOKOSA-N 2 2 336.480 2.048 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001437700155 1090245290 /nfs/dbraw/zinc/24/52/90/1090245290.db2.gz CYMIEARZLMMWHZ-QGZVFWFLSA-N 2 2 344.503 2.390 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001437700155 1090245294 /nfs/dbraw/zinc/24/52/94/1090245294.db2.gz CYMIEARZLMMWHZ-QGZVFWFLSA-N 2 2 344.503 2.390 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C[C@H]2CC[C@@H](C)O2)C2CC2)c[nH+]1 ZINC001437795622 1090381635 /nfs/dbraw/zinc/38/16/35/1090381635.db2.gz SRYKPDUEJIUYBR-NVXWUHKLSA-N 2 2 348.491 2.075 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C[C@H]2CC[C@@H](C)O2)C2CC2)c[nH+]1 ZINC001437795622 1090381640 /nfs/dbraw/zinc/38/16/40/1090381640.db2.gz SRYKPDUEJIUYBR-NVXWUHKLSA-N 2 2 348.491 2.075 10 0 EEAELP C[C@H]1C[C@H](C[NH2+]CC2(NC(=O)CCc3c[nH]c[nH+]3)CCCC2)CCO1 ZINC001438387411 1090872447 /nfs/dbraw/zinc/87/24/47/1090872447.db2.gz RYQLMNPGRCMPLT-JKSUJKDBSA-N 2 2 348.491 2.176 10 0 EEAELP C[C@H]1C[C@H](C[NH2+]CC2(NC(=O)CCc3c[nH+]c[nH]3)CCCC2)CCO1 ZINC001438387411 1090872455 /nfs/dbraw/zinc/87/24/55/1090872455.db2.gz RYQLMNPGRCMPLT-JKSUJKDBSA-N 2 2 348.491 2.176 10 0 EEAELP Cc1cnc(C[NH2+]Cc2ccc(CNC(=O)C[N@H+](C)C(C)C)cc2)o1 ZINC001438445569 1090949774 /nfs/dbraw/zinc/94/97/74/1090949774.db2.gz FXVASYGSYSZPSU-UHFFFAOYSA-N 2 2 344.459 2.229 10 0 EEAELP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001438598005 1091086919 /nfs/dbraw/zinc/08/69/19/1091086919.db2.gz BPLGKNLPJWAZBI-GJZGRUSLSA-N 2 2 336.455 2.212 10 0 EEAELP C[C@H](F)CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001438602755 1091090064 /nfs/dbraw/zinc/09/00/64/1091090064.db2.gz UCZJHOWGASNOFW-LSDHHAIUSA-N 2 2 336.455 2.212 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001445399686 1091146210 /nfs/dbraw/zinc/14/62/10/1091146210.db2.gz RFVZCOSLAJUHRC-IAGOWNOFSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(F)c1Cl)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001438701916 1091209503 /nfs/dbraw/zinc/20/95/03/1091209503.db2.gz QJACKVLLNLUTPR-LLVKDONJSA-N 2 2 338.814 2.381 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001445574728 1091354426 /nfs/dbraw/zinc/35/44/26/1091354426.db2.gz JKOAAABBLGWOLA-KBXCAEBGSA-N 2 2 339.439 2.415 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438897746 1091550642 /nfs/dbraw/zinc/55/06/42/1091550642.db2.gz DBEHGXZGPHRBNC-OAHLLOKOSA-N 2 2 336.480 2.091 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001438897746 1091550646 /nfs/dbraw/zinc/55/06/46/1091550646.db2.gz DBEHGXZGPHRBNC-OAHLLOKOSA-N 2 2 336.480 2.091 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001438897746 1091550649 /nfs/dbraw/zinc/55/06/49/1091550649.db2.gz DBEHGXZGPHRBNC-OAHLLOKOSA-N 2 2 336.480 2.091 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001438897746 1091550652 /nfs/dbraw/zinc/55/06/52/1091550652.db2.gz DBEHGXZGPHRBNC-OAHLLOKOSA-N 2 2 336.480 2.091 10 0 EEAELP C[C@@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001439224962 1091869232 /nfs/dbraw/zinc/86/92/32/1091869232.db2.gz XYAMPIHOAFNOKQ-QWHCGFSZSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001439252972 1091902138 /nfs/dbraw/zinc/90/21/38/1091902138.db2.gz NKYQOIVFSKNRTR-CGTJXYLNSA-N 2 2 340.471 2.435 10 0 EEAELP C[C@@H](C[N@H+](C)CC[C@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001439354488 1092068797 /nfs/dbraw/zinc/06/87/97/1092068797.db2.gz ZMGPJEGGQVQGCY-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@@H](C[N@@H+](C)CC[C@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001439354488 1092068804 /nfs/dbraw/zinc/06/88/04/1092068804.db2.gz ZMGPJEGGQVQGCY-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1Cc1ccc2c(c1)CCC2)C(=O)Cn1cc[nH+]c1 ZINC001440278976 1093397051 /nfs/dbraw/zinc/39/70/51/1093397051.db2.gz UJRUTSMBGJBJSG-IBGZPJMESA-N 2 2 338.455 2.105 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1Cc1ccc2c(c1)CCC2)C(=O)Cn1cc[nH+]c1 ZINC001440278976 1093397060 /nfs/dbraw/zinc/39/70/60/1093397060.db2.gz UJRUTSMBGJBJSG-IBGZPJMESA-N 2 2 338.455 2.105 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001448525117 1093555644 /nfs/dbraw/zinc/55/56/44/1093555644.db2.gz JPZAUKXCDIDINR-DTZQCDIJSA-N 2 2 345.447 2.376 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001440492929 1093730969 /nfs/dbraw/zinc/73/09/69/1093730969.db2.gz DURCZBCXURBVON-NUJGCVRESA-N 2 2 332.492 2.461 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001440492929 1093730975 /nfs/dbraw/zinc/73/09/75/1093730975.db2.gz DURCZBCXURBVON-NUJGCVRESA-N 2 2 332.492 2.461 10 0 EEAELP CC(C)CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1)CO2 ZINC001440510837 1093756666 /nfs/dbraw/zinc/75/66/66/1093756666.db2.gz NWJBLQDFMMWFIS-IRXDYDNUSA-N 2 2 348.491 2.230 10 0 EEAELP Cc1ccncc1C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001448781404 1093862079 /nfs/dbraw/zinc/86/20/79/1093862079.db2.gz YUNDQKLTDWSZNR-CQSZACIVSA-N 2 2 329.448 2.027 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H]2C)c(C)o1 ZINC001449024213 1094030595 /nfs/dbraw/zinc/03/05/95/1094030595.db2.gz RIZHNSKFGIKTHD-SUMWQHHRSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)[C@@H]2C)c(C)o1 ZINC001449024213 1094030602 /nfs/dbraw/zinc/03/06/02/1094030602.db2.gz RIZHNSKFGIKTHD-SUMWQHHRSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H]2C)c(C)o1 ZINC001449024213 1094030607 /nfs/dbraw/zinc/03/06/07/1094030607.db2.gz RIZHNSKFGIKTHD-SUMWQHHRSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)c(C)o1 ZINC001449024213 1094030611 /nfs/dbraw/zinc/03/06/11/1094030611.db2.gz RIZHNSKFGIKTHD-SUMWQHHRSA-N 2 2 348.491 2.245 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001440855260 1094115238 /nfs/dbraw/zinc/11/52/38/1094115238.db2.gz YYORKQSFVCBJIT-KBPBESRZSA-N 2 2 332.423 2.175 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001440931825 1094184605 /nfs/dbraw/zinc/18/46/05/1094184605.db2.gz CXPIXDFAAPGFEN-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001440931825 1094184609 /nfs/dbraw/zinc/18/46/09/1094184609.db2.gz CXPIXDFAAPGFEN-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001440931825 1094184613 /nfs/dbraw/zinc/18/46/13/1094184613.db2.gz CXPIXDFAAPGFEN-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001440931825 1094184617 /nfs/dbraw/zinc/18/46/17/1094184617.db2.gz CXPIXDFAAPGFEN-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1cccnc1 ZINC001441035923 1094330855 /nfs/dbraw/zinc/33/08/55/1094330855.db2.gz LUTZHBAPYIKLMX-QFBILLFUSA-N 2 2 340.471 2.321 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1cccnc1 ZINC001441035923 1094330868 /nfs/dbraw/zinc/33/08/68/1094330868.db2.gz LUTZHBAPYIKLMX-QFBILLFUSA-N 2 2 340.471 2.321 10 0 EEAELP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001449384641 1094357805 /nfs/dbraw/zinc/35/78/05/1094357805.db2.gz UAFVTXRNMVFKJH-GTPINHCMSA-N 2 2 332.492 2.461 10 0 EEAELP Cc1csc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)n1 ZINC001441365693 1094890111 /nfs/dbraw/zinc/89/01/11/1094890111.db2.gz DUANOVRRRCDTOO-RBSFLKMASA-N 2 2 347.488 2.284 10 0 EEAELP C[N@H+](CCC(F)(F)F)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001441381840 1094921301 /nfs/dbraw/zinc/92/13/01/1094921301.db2.gz HUWXFRCSXULMQL-CHWSQXEVSA-N 2 2 344.381 2.388 10 0 EEAELP C[N@@H+](CCC(F)(F)F)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001441381840 1094921308 /nfs/dbraw/zinc/92/13/08/1094921308.db2.gz HUWXFRCSXULMQL-CHWSQXEVSA-N 2 2 344.381 2.388 10 0 EEAELP C[N@H+](CCC(F)(F)F)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001441381840 1094921316 /nfs/dbraw/zinc/92/13/16/1094921316.db2.gz HUWXFRCSXULMQL-CHWSQXEVSA-N 2 2 344.381 2.388 10 0 EEAELP C[N@@H+](CCC(F)(F)F)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001441381840 1094921323 /nfs/dbraw/zinc/92/13/23/1094921323.db2.gz HUWXFRCSXULMQL-CHWSQXEVSA-N 2 2 344.381 2.388 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001441606186 1095460110 /nfs/dbraw/zinc/46/01/10/1095460110.db2.gz NOJHBOIPKXYKPV-CQSZACIVSA-N 2 2 329.448 2.107 10 0 EEAELP CC(C)N(CC[N@H+](C)CCc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001442129143 1096369602 /nfs/dbraw/zinc/36/96/02/1096369602.db2.gz RVRYRHGDJMXJQX-UHFFFAOYSA-N 2 2 342.487 2.374 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001442129143 1096369615 /nfs/dbraw/zinc/36/96/15/1096369615.db2.gz RVRYRHGDJMXJQX-UHFFFAOYSA-N 2 2 342.487 2.374 10 0 EEAELP CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC([NH2+]C/C=C\Cl)C1 ZINC001442230346 1096529858 /nfs/dbraw/zinc/52/98/58/1096529858.db2.gz GTHDHKDKGWYZMU-XQRVVYSFSA-N 2 2 336.867 2.093 10 0 EEAELP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001442258911 1096560955 /nfs/dbraw/zinc/56/09/55/1096560955.db2.gz XUFSBBPGDFRTDD-JEYLPNPQSA-N 2 2 345.447 2.164 10 0 EEAELP Cc1cc(C[N@H+](C)CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)sn1 ZINC001442622471 1096991636 /nfs/dbraw/zinc/99/16/36/1096991636.db2.gz UOGONQFCSJBCDK-QGZVFWFLSA-N 2 2 346.500 2.302 10 0 EEAELP Cc1cc(C[N@@H+](C)CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)sn1 ZINC001442622471 1096991639 /nfs/dbraw/zinc/99/16/39/1096991639.db2.gz UOGONQFCSJBCDK-QGZVFWFLSA-N 2 2 346.500 2.302 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1ccc(CF)cc1 ZINC001442836578 1097228629 /nfs/dbraw/zinc/22/86/29/1097228629.db2.gz ANFZLDYNNFMYLP-KRWDZBQOSA-N 2 2 330.407 2.133 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC001442836578 1097228630 /nfs/dbraw/zinc/22/86/30/1097228630.db2.gz ANFZLDYNNFMYLP-KRWDZBQOSA-N 2 2 330.407 2.133 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1ccc(CF)cc1 ZINC001442836582 1097228738 /nfs/dbraw/zinc/22/87/38/1097228738.db2.gz ANFZLDYNNFMYLP-QGZVFWFLSA-N 2 2 330.407 2.133 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1ccc(CF)cc1 ZINC001442836582 1097228742 /nfs/dbraw/zinc/22/87/42/1097228742.db2.gz ANFZLDYNNFMYLP-QGZVFWFLSA-N 2 2 330.407 2.133 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1cnc(Cl)s1 ZINC001479640902 1098670097 /nfs/dbraw/zinc/67/00/97/1098670097.db2.gz DJBAIHFLVQMDAL-QWHCGFSZSA-N 2 2 344.912 2.217 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1Cc1cnc(Cl)s1 ZINC001479640902 1098670104 /nfs/dbraw/zinc/67/01/04/1098670104.db2.gz DJBAIHFLVQMDAL-QWHCGFSZSA-N 2 2 344.912 2.217 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC2(C1)CC[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC001479759713 1098916539 /nfs/dbraw/zinc/91/65/39/1098916539.db2.gz CVPRIGUDPYOOMZ-KURKYZTESA-N 2 2 342.487 2.244 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC001479759713 1098916548 /nfs/dbraw/zinc/91/65/48/1098916548.db2.gz CVPRIGUDPYOOMZ-KURKYZTESA-N 2 2 342.487 2.244 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001444380520 1098962244 /nfs/dbraw/zinc/96/22/44/1098962244.db2.gz POYQSUVDMBTEBR-KBPBESRZSA-N 2 2 343.475 2.142 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001444380520 1098962254 /nfs/dbraw/zinc/96/22/54/1098962254.db2.gz POYQSUVDMBTEBR-KBPBESRZSA-N 2 2 343.475 2.142 10 0 EEAELP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1cscn1 ZINC001479858533 1099163373 /nfs/dbraw/zinc/16/33/73/1099163373.db2.gz OXWHGSDEWSCSLF-UHFFFAOYSA-N 2 2 338.521 2.203 10 0 EEAELP CC[N@@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1cscn1 ZINC001479858533 1099163375 /nfs/dbraw/zinc/16/33/75/1099163375.db2.gz OXWHGSDEWSCSLF-UHFFFAOYSA-N 2 2 338.521 2.203 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001479912145 1099311815 /nfs/dbraw/zinc/31/18/15/1099311815.db2.gz ZOSLHZGDXUIOQS-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001479912145 1099311826 /nfs/dbraw/zinc/31/18/26/1099311826.db2.gz ZOSLHZGDXUIOQS-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001479912145 1099311836 /nfs/dbraw/zinc/31/18/36/1099311836.db2.gz ZOSLHZGDXUIOQS-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001479912145 1099311848 /nfs/dbraw/zinc/31/18/48/1099311848.db2.gz ZOSLHZGDXUIOQS-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001479973106 1099421763 /nfs/dbraw/zinc/42/17/63/1099421763.db2.gz WRCDDQDSGVQYED-MOPGFXCFSA-N 2 2 347.503 2.152 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001479973106 1099421770 /nfs/dbraw/zinc/42/17/70/1099421770.db2.gz WRCDDQDSGVQYED-MOPGFXCFSA-N 2 2 347.503 2.152 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001480150889 1099719935 /nfs/dbraw/zinc/71/99/35/1099719935.db2.gz PAHAAKSZFXUANS-RBSFLKMASA-N 2 2 340.418 2.336 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001480187389 1099780731 /nfs/dbraw/zinc/78/07/31/1099780731.db2.gz CCGHPYQPFAUPNA-FUHWJXTLSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2c[nH+]cn2C)C1 ZINC001480187389 1099780723 /nfs/dbraw/zinc/78/07/23/1099780723.db2.gz CCGHPYQPFAUPNA-FUHWJXTLSA-N 2 2 332.492 2.466 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)c[nH+]1 ZINC001480486186 1100296262 /nfs/dbraw/zinc/29/62/62/1100296262.db2.gz KICLOAHQUMSQTG-GXTWGEPZSA-N 2 2 342.434 2.456 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1c(F)cccc1F ZINC001480489992 1100300271 /nfs/dbraw/zinc/30/02/71/1100300271.db2.gz LUQLUZDQBNIKMP-OLZOCXBDSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001480489440 1100301367 /nfs/dbraw/zinc/30/13/67/1100301367.db2.gz HZKVDBMMNIVBMO-LSDHHAIUSA-N 2 2 344.434 2.188 10 0 EEAELP C[C@H](CC(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1)n1cc[nH+]c1 ZINC001480547162 1100381005 /nfs/dbraw/zinc/38/10/05/1100381005.db2.gz XGYVJYCALHUUEC-QWHCGFSZSA-N 2 2 336.386 2.407 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@]2(C)CCC[NH+](Cc3ccon3)C2)CC[N@@H+]1C ZINC001446669495 1101202093 /nfs/dbraw/zinc/20/20/93/1101202093.db2.gz BHZSMYKOMOBXEQ-BXWFABGCSA-N 2 2 348.491 2.123 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@]2(C)CCC[NH+](Cc3ccon3)C2)CC[N@H+]1C ZINC001446669495 1101202100 /nfs/dbraw/zinc/20/21/00/1101202100.db2.gz BHZSMYKOMOBXEQ-BXWFABGCSA-N 2 2 348.491 2.123 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@]2(C)CCC[N@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001446669495 1101202103 /nfs/dbraw/zinc/20/21/03/1101202103.db2.gz BHZSMYKOMOBXEQ-BXWFABGCSA-N 2 2 348.491 2.123 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC[C@]2(C)CCC[N@@H+](Cc3ccon3)C2)CC[NH+]1C ZINC001446669495 1101202109 /nfs/dbraw/zinc/20/21/09/1101202109.db2.gz BHZSMYKOMOBXEQ-BXWFABGCSA-N 2 2 348.491 2.123 10 0 EEAELP Cc1oncc1C[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001496617101 1101221803 /nfs/dbraw/zinc/22/18/03/1101221803.db2.gz OGMSRKUYXVJFMN-BBRMVZONSA-N 2 2 333.436 2.061 10 0 EEAELP CCC(CC)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446729267 1101304698 /nfs/dbraw/zinc/30/46/98/1101304698.db2.gz UDNVWDDOXWUUBK-AWEZNQCLSA-N 2 2 342.434 2.462 10 0 EEAELP CCC(CC)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001446729267 1101304709 /nfs/dbraw/zinc/30/47/09/1101304709.db2.gz UDNVWDDOXWUUBK-AWEZNQCLSA-N 2 2 342.434 2.462 10 0 EEAELP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001495987964 1101901388 /nfs/dbraw/zinc/90/13/88/1101901388.db2.gz ZJYZVQNSTHWYTB-SNAWJCMRSA-N 2 2 330.476 2.243 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001496095583 1102049425 /nfs/dbraw/zinc/04/94/25/1102049425.db2.gz XRPUOIWEICXFLM-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001497201351 1102117520 /nfs/dbraw/zinc/11/75/20/1102117520.db2.gz JPJOIZNELGAMCV-OLZOCXBDSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001497201351 1102117523 /nfs/dbraw/zinc/11/75/23/1102117523.db2.gz JPJOIZNELGAMCV-OLZOCXBDSA-N 2 2 328.407 2.262 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H]1COC2(C[NH+](CC(C)C)C2)C1 ZINC001447406885 1102600789 /nfs/dbraw/zinc/60/07/89/1102600789.db2.gz ZXHXEGHAVRFYDS-JKSUJKDBSA-N 2 2 348.491 2.012 10 0 EEAELP CC(C)c1cnc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)o1 ZINC001447766464 1103266538 /nfs/dbraw/zinc/26/65/38/1103266538.db2.gz ACNGBLABQKJIIN-HNNXBMFYSA-N 2 2 336.480 2.173 10 0 EEAELP CC(C)c1cnc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)o1 ZINC001447766464 1103266549 /nfs/dbraw/zinc/26/65/49/1103266549.db2.gz ACNGBLABQKJIIN-HNNXBMFYSA-N 2 2 336.480 2.173 10 0 EEAELP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140146 1103589710 /nfs/dbraw/zinc/58/97/10/1103589710.db2.gz GSMCDSACAZLOME-IRXDYDNUSA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140146 1103589714 /nfs/dbraw/zinc/58/97/14/1103589714.db2.gz GSMCDSACAZLOME-IRXDYDNUSA-N 2 2 332.492 2.416 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC001448032343 1103840396 /nfs/dbraw/zinc/84/03/96/1103840396.db2.gz BGBQROWCJWLYSV-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC001448032343 1103840405 /nfs/dbraw/zinc/84/04/05/1103840405.db2.gz BGBQROWCJWLYSV-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)c(C)o1 ZINC001448032343 1103840412 /nfs/dbraw/zinc/84/04/12/1103840412.db2.gz BGBQROWCJWLYSV-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)c(C)o1 ZINC001448032343 1103840419 /nfs/dbraw/zinc/84/04/19/1103840419.db2.gz BGBQROWCJWLYSV-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP C[NH+]1CCC(CC(=O)NC2C[NH+](CCCCC(F)(F)F)C2)CC1 ZINC001494463473 1104046171 /nfs/dbraw/zinc/04/61/71/1104046171.db2.gz PCXMRRZTMOXJRF-UHFFFAOYSA-N 2 2 335.414 2.251 10 0 EEAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cc(C)ns1 ZINC001495023656 1104664293 /nfs/dbraw/zinc/66/42/93/1104664293.db2.gz LAHIJFUOOPUSJK-ZDUSSCGKSA-N 2 2 343.456 2.397 10 0 EEAELP Cc1ncsc1CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480771923 1107084537 /nfs/dbraw/zinc/08/45/37/1107084537.db2.gz ZIHUJNALOUGFOB-IACUBPJLSA-N 2 2 347.488 2.005 10 0 EEAELP Cc1ncsc1CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480771923 1107084552 /nfs/dbraw/zinc/08/45/52/1107084552.db2.gz ZIHUJNALOUGFOB-IACUBPJLSA-N 2 2 347.488 2.005 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccncc1Cl ZINC001480771403 1107084620 /nfs/dbraw/zinc/08/46/20/1107084620.db2.gz SKECOVRMWZRUSU-MRVWCRGKSA-N 2 2 347.850 2.246 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccncc1Cl ZINC001480771403 1107084635 /nfs/dbraw/zinc/08/46/35/1107084635.db2.gz SKECOVRMWZRUSU-MRVWCRGKSA-N 2 2 347.850 2.246 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)CCc2[nH+]ccn2C)cc1F ZINC001498583153 1107760891 /nfs/dbraw/zinc/76/08/91/1107760891.db2.gz MIOMIMPRLPXPRN-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP CCc1nocc1C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001493401970 1108083037 /nfs/dbraw/zinc/08/30/37/1108083037.db2.gz DUHMFDWUXZZFTO-GJZGRUSLSA-N 2 2 348.491 2.048 10 0 EEAELP CCc1nocc1C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001493401970 1108083051 /nfs/dbraw/zinc/08/30/51/1108083051.db2.gz DUHMFDWUXZZFTO-GJZGRUSLSA-N 2 2 348.491 2.048 10 0 EEAELP CCc1nocc1C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001493401970 1108083065 /nfs/dbraw/zinc/08/30/65/1108083065.db2.gz DUHMFDWUXZZFTO-GJZGRUSLSA-N 2 2 348.491 2.048 10 0 EEAELP CCc1nocc1C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001493401970 1108083082 /nfs/dbraw/zinc/08/30/82/1108083082.db2.gz DUHMFDWUXZZFTO-GJZGRUSLSA-N 2 2 348.491 2.048 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493599974 1108383611 /nfs/dbraw/zinc/38/36/11/1108383611.db2.gz BDGNLUYOZBEHJC-APWZRJJASA-N 2 2 338.455 2.181 10 0 EEAELP CN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493599981 1108383850 /nfs/dbraw/zinc/38/38/50/1108383850.db2.gz BDGNLUYOZBEHJC-VQIMIIECSA-N 2 2 338.455 2.181 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001493600619 1108383892 /nfs/dbraw/zinc/38/38/92/1108383892.db2.gz OQAWZHNQQSDWPP-CQSZACIVSA-N 2 2 336.480 2.004 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001493600619 1108383904 /nfs/dbraw/zinc/38/39/04/1108383904.db2.gz OQAWZHNQQSDWPP-CQSZACIVSA-N 2 2 336.480 2.004 10 0 EEAELP C[C@@H](C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001455507829 1108644216 /nfs/dbraw/zinc/64/42/16/1108644216.db2.gz FEIVKAUHIYEEGS-HQRMLTQVSA-N 2 2 338.455 2.425 10 0 EEAELP C[C@@H](C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1)n1cc[nH+]c1 ZINC001455507829 1108644221 /nfs/dbraw/zinc/64/42/21/1108644221.db2.gz FEIVKAUHIYEEGS-HQRMLTQVSA-N 2 2 338.455 2.425 10 0 EEAELP C[C@H]1COC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001460818015 1110325150 /nfs/dbraw/zinc/32/51/50/1110325150.db2.gz OKHKEXXAFUBXFN-MAUKXSAKSA-N 2 2 337.895 2.477 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1nc2ccccc2o1 ZINC001479271977 1110673549 /nfs/dbraw/zinc/67/35/49/1110673549.db2.gz XXYHXLYDGSMLHI-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1nc2ccccc2o1 ZINC001479271977 1110673550 /nfs/dbraw/zinc/67/35/50/1110673550.db2.gz XXYHXLYDGSMLHI-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1nc2ccccc2o1 ZINC001479271977 1110673551 /nfs/dbraw/zinc/67/35/51/1110673551.db2.gz XXYHXLYDGSMLHI-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1nc2ccccc2o1 ZINC001479271977 1110673552 /nfs/dbraw/zinc/67/35/52/1110673552.db2.gz XXYHXLYDGSMLHI-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001479322257 1110681329 /nfs/dbraw/zinc/68/13/29/1110681329.db2.gz QSEFFXKFXFHNHL-NWSAOIPBSA-N 2 2 330.476 2.364 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001479407917 1110692621 /nfs/dbraw/zinc/69/26/21/1110692621.db2.gz HZDNEXNWESAKMU-QAQDUYKDSA-N 2 2 330.476 2.338 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001499254311 1112202707 /nfs/dbraw/zinc/20/27/07/1112202707.db2.gz MLFYFPOZYXCNAH-MRXNPFEDSA-N 2 2 346.475 2.165 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC001499254311 1112202708 /nfs/dbraw/zinc/20/27/08/1112202708.db2.gz MLFYFPOZYXCNAH-MRXNPFEDSA-N 2 2 346.475 2.165 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1)c1ccccc1 ZINC001499269443 1112209732 /nfs/dbraw/zinc/20/97/32/1112209732.db2.gz UHAWUVKFJRBFQQ-NVXWUHKLSA-N 2 2 338.455 2.445 10 0 EEAELP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001499268862 1112209972 /nfs/dbraw/zinc/20/99/72/1112209972.db2.gz KGLGFZFYPZIUHP-YIEVGGLXSA-N 2 2 330.476 2.430 10 0 EEAELP COCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001499480218 1112310919 /nfs/dbraw/zinc/31/09/19/1112310919.db2.gz DYNBVAHHTJFXRZ-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP COCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCn2cc[nH+]c2)C1 ZINC001499480218 1112310923 /nfs/dbraw/zinc/31/09/23/1112310923.db2.gz DYNBVAHHTJFXRZ-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP CCC[N@H+](CCOC)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001499539030 1112354266 /nfs/dbraw/zinc/35/42/66/1112354266.db2.gz XNKTVDJSLKXLID-INIZCTEOSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[N@@H+](CCOC)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001499539030 1112354271 /nfs/dbraw/zinc/35/42/71/1112354271.db2.gz XNKTVDJSLKXLID-INIZCTEOSA-N 2 2 336.480 2.184 10 0 EEAELP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001501093178 1113196462 /nfs/dbraw/zinc/19/64/62/1113196462.db2.gz WYVLZRLTZIIQDC-MGFNVVHASA-N 2 2 338.455 2.423 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)CCc2[nH+]ccn2C)s1 ZINC001502357083 1113643618 /nfs/dbraw/zinc/64/36/18/1113643618.db2.gz NMMFDYBANUZMAJ-UHFFFAOYSA-N 2 2 349.504 2.098 10 0 EEAELP Cc1ncc(C[N@H+](C)CCCN(C)C(=O)CCc2[nH+]ccn2C)s1 ZINC001502357083 1113643619 /nfs/dbraw/zinc/64/36/19/1113643619.db2.gz NMMFDYBANUZMAJ-UHFFFAOYSA-N 2 2 349.504 2.098 10 0 EEAELP CCOCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)CC1 ZINC001503764131 1113906710 /nfs/dbraw/zinc/90/67/10/1113906710.db2.gz OASMBFNHAYVBJM-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP CCOCC[NH+]1CCC2(CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)CC1 ZINC001503764131 1113906711 /nfs/dbraw/zinc/90/67/11/1113906711.db2.gz OASMBFNHAYVBJM-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)s1 ZINC001505654048 1114111410 /nfs/dbraw/zinc/11/14/10/1114111410.db2.gz ZBAGFNMGLKGLDI-NWDGAFQWSA-N 2 2 343.456 2.396 10 0 EEAELP Cc1cc(C)cc(OCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001505719624 1114149703 /nfs/dbraw/zinc/14/97/03/1114149703.db2.gz FHTVJRFQZQQBOP-HOTGVXAUSA-N 2 2 344.459 2.131 10 0 EEAELP CCOCC[NH2+]CC(C)(C)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001505822388 1114214755 /nfs/dbraw/zinc/21/47/55/1114214755.db2.gz KHKLWDDNYLQWFR-UHFFFAOYSA-N 2 2 332.448 2.059 10 0 EEAELP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001507015734 1115055181 /nfs/dbraw/zinc/05/51/81/1115055181.db2.gz QBKUZJYZSOLVIY-SJORKVTESA-N 2 2 330.476 2.072 10 0 EEAELP CN(C(=O)Cc1[nH]cc[nH+]1)C1CC([NH2+]CCCCC2CCOCC2)C1 ZINC001508142882 1115427301 /nfs/dbraw/zinc/42/73/01/1115427301.db2.gz OXEUSHKRPUWQMF-UHFFFAOYSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(NCC1=CC[N@H+](CCCCCF)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001508211554 1115446591 /nfs/dbraw/zinc/44/65/91/1115446591.db2.gz AJWHMVGZANPHOS-QGZVFWFLSA-N 2 2 348.466 2.334 10 0 EEAELP O=C(NCC1=CC[N@@H+](CCCCCF)CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001508211554 1115446594 /nfs/dbraw/zinc/44/65/94/1115446594.db2.gz AJWHMVGZANPHOS-QGZVFWFLSA-N 2 2 348.466 2.334 10 0 EEAELP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001568087653 1124291411 /nfs/dbraw/zinc/29/14/11/1124291411.db2.gz IUNHWQGQNHIOEI-BZUAXINKSA-N 2 2 336.455 2.480 10 0 EEAELP CC[C@@H](F)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001568087653 1124291417 /nfs/dbraw/zinc/29/14/17/1124291417.db2.gz IUNHWQGQNHIOEI-BZUAXINKSA-N 2 2 336.455 2.480 10 0 EEAELP CCN(CC[NH2+]CC[C@@H]1CCCC1(F)F)C(=O)Cn1cc[nH+]c1 ZINC001568802206 1124816716 /nfs/dbraw/zinc/81/67/16/1124816716.db2.gz YHBMJVORGAUXIH-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCn2cc[nH+]c2)cc1C ZINC001568893331 1124920296 /nfs/dbraw/zinc/92/02/96/1124920296.db2.gz CPXVZLFRIVBQHS-ARJAWSKDSA-N 2 2 326.444 2.352 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccc(Cl)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001569083565 1125086254 /nfs/dbraw/zinc/08/62/54/1125086254.db2.gz UBNXHWZHGMYIJW-ZRMMWKCHSA-N 2 2 332.835 2.413 10 0 EEAELP CC1(C)C[C@H]([NH2+]C[C@]2(CCO)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000090189153 539376096 /nfs/dbraw/zinc/37/60/96/539376096.db2.gz MXSRNWABEQFSMY-ICSRJNTNSA-N 2 2 332.488 2.418 10 0 EEAELP CC1(C)C[C@H]([NH2+]C[C@]2(CCO)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000090189153 539376099 /nfs/dbraw/zinc/37/60/99/539376099.db2.gz MXSRNWABEQFSMY-ICSRJNTNSA-N 2 2 332.488 2.418 10 0 EEAELP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(I)o2)C1 ZINC000037484311 213149324 /nfs/dbraw/zinc/14/93/24/213149324.db2.gz SPGXFFCIFNSEQT-JTQLQIEISA-N 2 2 334.201 2.316 10 0 EEAELP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(I)o2)C1 ZINC000037484311 213149327 /nfs/dbraw/zinc/14/93/27/213149327.db2.gz SPGXFFCIFNSEQT-JTQLQIEISA-N 2 2 334.201 2.316 10 0 EEAELP Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000187793136 236302330 /nfs/dbraw/zinc/30/23/30/236302330.db2.gz MEWBINUKJMRNIS-INIZCTEOSA-N 2 2 326.444 2.468 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072278680 216104734 /nfs/dbraw/zinc/10/47/34/216104734.db2.gz TYXUIYJFCYIFNP-QZTJIDSGSA-N 2 2 338.455 2.226 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000072278680 216104736 /nfs/dbraw/zinc/10/47/36/216104736.db2.gz TYXUIYJFCYIFNP-QZTJIDSGSA-N 2 2 338.455 2.226 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000129701536 223082638 /nfs/dbraw/zinc/08/26/38/223082638.db2.gz RQSHYXUMGKLKCB-GOSISDBHSA-N 2 2 328.460 2.261 10 0 EEAELP c1csc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000422827807 240247586 /nfs/dbraw/zinc/24/75/86/240247586.db2.gz NLJFEJFTOWBTNH-RBUKOAKNSA-N 3 2 349.544 2.317 10 0 EEAELP FC(F)COc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422941030 240300748 /nfs/dbraw/zinc/30/07/48/240300748.db2.gz HMBMVDPAAKUKPJ-RDJZCZTQSA-N 2 2 326.387 2.187 10 0 EEAELP C[C@H]([NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422948428 240303556 /nfs/dbraw/zinc/30/35/56/240303556.db2.gz RGVDLVGAHHYKHS-STQMWFEESA-N 2 2 348.472 2.156 10 0 EEAELP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422866909 240265021 /nfs/dbraw/zinc/26/50/21/240265021.db2.gz RBWSQJDCZQGVTB-PMACEKPBSA-N 3 2 331.504 2.383 10 0 EEAELP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422866909 240265024 /nfs/dbraw/zinc/26/50/24/240265024.db2.gz RBWSQJDCZQGVTB-PMACEKPBSA-N 3 2 331.504 2.383 10 0 EEAELP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422866911 240266567 /nfs/dbraw/zinc/26/65/67/240266567.db2.gz RBWSQJDCZQGVTB-VQTJNVASSA-N 3 2 331.504 2.383 10 0 EEAELP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422866911 240266571 /nfs/dbraw/zinc/26/65/71/240266571.db2.gz RBWSQJDCZQGVTB-VQTJNVASSA-N 3 2 331.504 2.383 10 0 EEAELP c1ccc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422909105 240286766 /nfs/dbraw/zinc/28/67/66/240286766.db2.gz ZXHNQEYCAYDIAF-NHCUHLMSSA-N 3 2 343.515 2.255 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@@H]2CCOC[C@@H]2OC)[C@H]2CCC[NH2+]2)cc1 ZINC000423162604 240389405 /nfs/dbraw/zinc/38/94/05/240389405.db2.gz UFHKTWLXFSULCD-NQYYFHDYSA-N 2 2 334.460 2.129 10 0 EEAELP COc1ccc([C@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1OC ZINC000422985694 240318809 /nfs/dbraw/zinc/31/88/09/240318809.db2.gz FVERGQLJVHORND-GUYCJALGSA-N 2 2 344.459 2.465 10 0 EEAELP Cc1nccnc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000446831444 242223550 /nfs/dbraw/zinc/22/35/50/242223550.db2.gz FCBBSVAETXQWSM-VQIMIIECSA-N 2 2 326.444 2.073 10 0 EEAELP C[C@H](CC[NH+](C)C)[NH2+]CC(=O)Nc1ccccc1Br ZINC000049557742 214018776 /nfs/dbraw/zinc/01/87/76/214018776.db2.gz BIPCHRIBWFORED-LLVKDONJSA-N 2 2 328.254 2.317 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)C[C@H]2CCC[NH2+]C2)[C@@H]1c1cnn(C)c1 ZINC000262002257 285228714 /nfs/dbraw/zinc/22/87/14/285228714.db2.gz UFAGICKYZMGMSX-JENIJYKNSA-N 3 2 333.524 2.125 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)C[C@H]2CCC[NH2+]C2)[C@@H]1c1cnn(C)c1 ZINC000262002257 285228715 /nfs/dbraw/zinc/22/87/15/285228715.db2.gz UFAGICKYZMGMSX-JENIJYKNSA-N 3 2 333.524 2.125 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)C[C@H]2CCC[NH2+]C2)[C@@H]1c1cnn(C)c1 ZINC000262002257 285228717 /nfs/dbraw/zinc/22/87/17/285228717.db2.gz UFAGICKYZMGMSX-JENIJYKNSA-N 3 2 333.524 2.125 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)C[C@H]2CCC[NH2+]C2)[C@@H]1c1cnn(C)c1 ZINC000262002257 285228718 /nfs/dbraw/zinc/22/87/18/285228718.db2.gz UFAGICKYZMGMSX-JENIJYKNSA-N 3 2 333.524 2.125 10 0 EEAELP C[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184660433 255935146 /nfs/dbraw/zinc/93/51/46/255935146.db2.gz SVPRTYMWDNJKAP-HOTGVXAUSA-N 2 2 330.476 2.287 10 0 EEAELP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cncs2)CC1 ZINC000271165267 256215280 /nfs/dbraw/zinc/21/52/80/256215280.db2.gz HGVPRMXQDXRWPG-UHFFFAOYSA-N 2 2 346.500 2.406 10 0 EEAELP Cc1ccc2c(C)cc(N3CC[NH+](CCC(=O)N(C)C)CC3)[nH+]c2c1 ZINC000274111833 256354783 /nfs/dbraw/zinc/35/47/83/256354783.db2.gz YOBNWWFSTKNGAU-UHFFFAOYSA-N 2 2 340.471 2.452 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)[C@@H](C)C1 ZINC000248771906 285398443 /nfs/dbraw/zinc/39/84/43/285398443.db2.gz SXGLICAHUUJLMD-XYJFISCASA-N 2 2 345.487 2.463 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)[C@@H](C)C1 ZINC000248771906 285398445 /nfs/dbraw/zinc/39/84/45/285398445.db2.gz SXGLICAHUUJLMD-XYJFISCASA-N 2 2 345.487 2.463 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)[C@@H](C)C1 ZINC000248771906 285398448 /nfs/dbraw/zinc/39/84/48/285398448.db2.gz SXGLICAHUUJLMD-XYJFISCASA-N 2 2 345.487 2.463 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)[C@@H]2CCN(c3ccccc3OC)C2=O)[C@@H](C)C1 ZINC000248771906 285398450 /nfs/dbraw/zinc/39/84/50/285398450.db2.gz SXGLICAHUUJLMD-XYJFISCASA-N 2 2 345.487 2.463 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000120563322 142392922 /nfs/dbraw/zinc/39/29/22/142392922.db2.gz AOSZADOQAZHROD-ZBFHGGJFSA-N 2 2 327.831 2.292 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000120563322 142392924 /nfs/dbraw/zinc/39/29/24/142392924.db2.gz AOSZADOQAZHROD-ZBFHGGJFSA-N 2 2 327.831 2.292 10 0 EEAELP c1cn(-c2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c[nH+]1 ZINC000261997073 296630891 /nfs/dbraw/zinc/63/08/91/296630891.db2.gz UDZZKMFFGKOGMF-KURKYZTESA-N 3 2 326.444 2.119 10 0 EEAELP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000115800447 152040650 /nfs/dbraw/zinc/04/06/50/152040650.db2.gz PXPAFGWUKLWPRA-INIZCTEOSA-N 2 2 345.491 2.034 10 0 EEAELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000115800447 152040652 /nfs/dbraw/zinc/04/06/52/152040652.db2.gz PXPAFGWUKLWPRA-INIZCTEOSA-N 2 2 345.491 2.034 10 0 EEAELP O[C@@H](COc1ccccc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249856996 160386367 /nfs/dbraw/zinc/38/63/67/160386367.db2.gz DNRDGEDRAQBHQI-DLBZAZTESA-N 2 2 327.428 2.255 10 0 EEAELP O[C@@H](COc1ccccc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000249856996 160386368 /nfs/dbraw/zinc/38/63/68/160386368.db2.gz DNRDGEDRAQBHQI-DLBZAZTESA-N 2 2 327.428 2.255 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)c1coc(C[NH3+])c1)c1cccc(F)c1 ZINC000188043126 160114370 /nfs/dbraw/zinc/11/43/70/160114370.db2.gz LZRLSWUGRAKVTQ-OAHLLOKOSA-N 2 2 328.347 2.130 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2ccc(C(N)=O)cc2)C1 ZINC000190484797 160161240 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2 347.850 2.225 10 0 EEAELP CC(C)[NH2+]C1(CO)CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000568289582 319475448 /nfs/dbraw/zinc/47/54/48/319475448.db2.gz JWBRERJRSACQDW-UHFFFAOYSA-N 2 2 342.487 2.256 10 0 EEAELP O=C(NC[C@H]1CCC[NH2+]C1)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000568605101 319502907 /nfs/dbraw/zinc/50/29/07/319502907.db2.gz SZDIEPJEPAXQIQ-ZDUSSCGKSA-N 2 2 337.493 2.250 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000569467587 319579365 /nfs/dbraw/zinc/57/93/65/319579365.db2.gz DAROIWVSOBRLIA-UHFFFAOYSA-N 2 2 326.444 2.329 10 0 EEAELP CCn1c2cccc(F)c2nc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000577518520 320260627 /nfs/dbraw/zinc/26/06/27/320260627.db2.gz GGDGWEPWTKCTDJ-CQSZACIVSA-N 2 2 346.450 2.383 10 0 EEAELP CCn1c2cccc(F)c2nc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000577518520 320260628 /nfs/dbraw/zinc/26/06/28/320260628.db2.gz GGDGWEPWTKCTDJ-CQSZACIVSA-N 2 2 346.450 2.383 10 0 EEAELP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000577856463 320280112 /nfs/dbraw/zinc/28/01/12/320280112.db2.gz JYYZFQFODZJXSI-OAHLLOKOSA-N 2 2 340.471 2.043 10 0 EEAELP CCC[N@H+](C)C[C@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000608094509 449748074 /nfs/dbraw/zinc/74/80/74/449748074.db2.gz UNPSNXSHGUICDX-OAHLLOKOSA-N 2 2 343.475 2.202 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CCN(c2nc(NCCO)c3ccccc3[nH+]2)C1 ZINC000608094509 449748076 /nfs/dbraw/zinc/74/80/76/449748076.db2.gz UNPSNXSHGUICDX-OAHLLOKOSA-N 2 2 343.475 2.202 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623394914 450513611 /nfs/dbraw/zinc/51/36/11/450513611.db2.gz XQKNDIOCZNXVPY-OAHLLOKOSA-N 2 2 348.495 2.104 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623394914 450513616 /nfs/dbraw/zinc/51/36/16/450513616.db2.gz XQKNDIOCZNXVPY-OAHLLOKOSA-N 2 2 348.495 2.104 10 0 EEAELP C[C@@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C(C)(C)C[NH+](C)C ZINC000085401203 462543706 /nfs/dbraw/zinc/54/37/06/462543706.db2.gz PSIJPWMNNPEWNK-CQSZACIVSA-N 2 2 344.463 2.043 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152950033 462598617 /nfs/dbraw/zinc/59/86/17/462598617.db2.gz XGVCVYDAYXLUSG-RBSFLKMASA-N 2 2 327.831 2.468 10 0 EEAELP CN(Cc1ccco1)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000114717191 462675561 /nfs/dbraw/zinc/67/55/61/462675561.db2.gz IHVRNLLPMPHONF-OAHLLOKOSA-N 2 2 328.416 2.067 10 0 EEAELP CN(Cc1ccco1)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000114717191 462675563 /nfs/dbraw/zinc/67/55/63/462675563.db2.gz IHVRNLLPMPHONF-OAHLLOKOSA-N 2 2 328.416 2.067 10 0 EEAELP CCNC(=O)COc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1 ZINC000089977424 462759300 /nfs/dbraw/zinc/75/93/00/462759300.db2.gz ZZQSVFPTRKCOAD-MRXNPFEDSA-N 2 2 342.443 2.065 10 0 EEAELP Cc1cc(C)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cn1cncn1 ZINC000065398338 462763786 /nfs/dbraw/zinc/76/37/86/462763786.db2.gz HNJDRDUKOAVKPS-MOPGFXCFSA-N 2 2 325.460 2.270 10 0 EEAELP Cc1cc(C)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1Cn1cncn1 ZINC000065398338 462763792 /nfs/dbraw/zinc/76/37/92/462763792.db2.gz HNJDRDUKOAVKPS-MOPGFXCFSA-N 2 2 325.460 2.270 10 0 EEAELP CCOc1cccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000093562654 463041106 /nfs/dbraw/zinc/04/11/06/463041106.db2.gz QIAKFVBUEVBBRO-UHFFFAOYSA-N 2 2 341.459 2.264 10 0 EEAELP C[NH+](C)CCC1CCN(C(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000078714418 463143249 /nfs/dbraw/zinc/14/32/49/463143249.db2.gz HSBQKVGQUHZORI-SFHVURJKSA-N 2 2 344.503 2.488 10 0 EEAELP c1cc2c(cc1C[N@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000069857929 463341248 /nfs/dbraw/zinc/34/12/48/463341248.db2.gz DLNPDWZCGVQZJY-KRWDZBQOSA-N 2 2 332.444 2.002 10 0 EEAELP c1cc2c(cc1C[N@@H+]1CCC[C@@H](C[NH+]3CCOCC3)C1)OCCO2 ZINC000069857929 463341255 /nfs/dbraw/zinc/34/12/55/463341255.db2.gz DLNPDWZCGVQZJY-KRWDZBQOSA-N 2 2 332.444 2.002 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000123530455 463349058 /nfs/dbraw/zinc/34/90/58/463349058.db2.gz AYVQMDWSXSDQOE-OAHLLOKOSA-N 2 2 344.434 2.130 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000123530455 463349061 /nfs/dbraw/zinc/34/90/61/463349061.db2.gz AYVQMDWSXSDQOE-OAHLLOKOSA-N 2 2 344.434 2.130 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@@H+]1C ZINC000123732357 463364447 /nfs/dbraw/zinc/36/44/47/463364447.db2.gz CVYSIBDUYWPGCI-DOMZBBRYSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@H+]1C ZINC000123732357 463364454 /nfs/dbraw/zinc/36/44/54/463364454.db2.gz CVYSIBDUYWPGCI-DOMZBBRYSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1C ZINC000123732357 463364458 /nfs/dbraw/zinc/36/44/58/463364458.db2.gz CVYSIBDUYWPGCI-DOMZBBRYSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1C ZINC000123732357 463364464 /nfs/dbraw/zinc/36/44/64/463364464.db2.gz CVYSIBDUYWPGCI-DOMZBBRYSA-N 2 2 334.851 2.262 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCC2(C3CC3)CC2)([NH+]2CCCCC2)CC1 ZINC000124006567 463385302 /nfs/dbraw/zinc/38/53/02/463385302.db2.gz FOGYALCIQNAHHP-UHFFFAOYSA-N 2 2 348.535 2.426 10 0 EEAELP C[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[C@@H]([NH3+])c1ccccc1 ZINC000164798815 463631600 /nfs/dbraw/zinc/63/16/00/463631600.db2.gz SEAPSQBOAJROBN-WMLDXEAASA-N 2 2 335.411 2.220 10 0 EEAELP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CCC(c2ccccc2)=N1 ZINC000109794712 463649839 /nfs/dbraw/zinc/64/98/39/463649839.db2.gz LXMBAIDJXIZPDL-UHFFFAOYSA-N 2 2 337.427 2.157 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NCCC1CC[NH+](C)CC1)C2 ZINC000112748772 463706903 /nfs/dbraw/zinc/70/69/03/463706903.db2.gz QUURECQEXRMYTC-UHFFFAOYSA-N 2 2 347.507 2.343 10 0 EEAELP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177535644 463730903 /nfs/dbraw/zinc/73/09/03/463730903.db2.gz SJFFMMIQUHQZOG-IAGOWNOFSA-N 2 2 333.480 2.322 10 0 EEAELP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177535644 463730912 /nfs/dbraw/zinc/73/09/12/463730912.db2.gz SJFFMMIQUHQZOG-IAGOWNOFSA-N 2 2 333.480 2.322 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268835310 463791424 /nfs/dbraw/zinc/79/14/24/463791424.db2.gz LNQHWVAZKCJDMJ-GIVPXCGWSA-N 3 2 345.531 2.476 10 0 EEAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261929040 463902829 /nfs/dbraw/zinc/90/28/29/463902829.db2.gz CNDGJEMSVMAXFF-DOTOQJQBSA-N 3 2 334.533 2.429 10 0 EEAELP C[NH+](C)Cc1ccc(N2CCN(c3cc[nH+]c(C4CC4)n3)CC2)nc1 ZINC000171986971 463963389 /nfs/dbraw/zinc/96/33/89/463963389.db2.gz WBELPGRYFMBHGO-UHFFFAOYSA-N 2 2 338.459 2.137 10 0 EEAELP C[C@H]1C[NH+](CCC[NH2+]Cc2ccnn2-c2ccccc2)C[C@H](C)O1 ZINC000279033297 464026825 /nfs/dbraw/zinc/02/68/25/464026825.db2.gz BQTYOKUHKLYVRS-IRXDYDNUSA-N 2 2 328.460 2.461 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195274612 464030195 /nfs/dbraw/zinc/03/01/95/464030195.db2.gz LJMBNJLMTCAYLD-HKUYNNGSSA-N 2 2 338.455 2.062 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195274612 464030201 /nfs/dbraw/zinc/03/02/01/464030201.db2.gz LJMBNJLMTCAYLD-HKUYNNGSSA-N 2 2 338.455 2.062 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195274612 464030206 /nfs/dbraw/zinc/03/02/06/464030206.db2.gz LJMBNJLMTCAYLD-HKUYNNGSSA-N 2 2 338.455 2.062 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195274612 464030212 /nfs/dbraw/zinc/03/02/12/464030212.db2.gz LJMBNJLMTCAYLD-HKUYNNGSSA-N 2 2 338.455 2.062 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)Nc3nccs3)C2)[nH+]1 ZINC000195516236 464063810 /nfs/dbraw/zinc/06/38/10/464063810.db2.gz ZJJGRNILCQWORN-ZDUSSCGKSA-N 2 2 331.445 2.219 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)Nc3nccs3)C2)[nH+]1 ZINC000195516236 464063816 /nfs/dbraw/zinc/06/38/16/464063816.db2.gz ZJJGRNILCQWORN-ZDUSSCGKSA-N 2 2 331.445 2.219 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000180101498 464243266 /nfs/dbraw/zinc/24/32/66/464243266.db2.gz LORYAIYXEKDPNH-FQEVSTJZSA-N 2 2 349.494 2.361 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000180101498 464243270 /nfs/dbraw/zinc/24/32/70/464243270.db2.gz LORYAIYXEKDPNH-FQEVSTJZSA-N 2 2 349.494 2.361 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180663295 464363598 /nfs/dbraw/zinc/36/35/98/464363598.db2.gz MHGZNKIKAJQBNG-XHSDSOJGSA-N 2 2 342.443 2.159 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272292725 464551181 /nfs/dbraw/zinc/55/11/81/464551181.db2.gz VKSFWOKEUZCUQM-HUUCEWRRSA-N 2 2 327.432 2.118 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272292725 464551185 /nfs/dbraw/zinc/55/11/85/464551185.db2.gz VKSFWOKEUZCUQM-HUUCEWRRSA-N 2 2 327.432 2.118 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000175518610 464566541 /nfs/dbraw/zinc/56/65/41/464566541.db2.gz QSBHAXPIYDYNDJ-LJQANCHMSA-N 2 2 344.503 2.389 10 0 EEAELP CCCn1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cn1 ZINC000190312095 464620791 /nfs/dbraw/zinc/62/07/91/464620791.db2.gz FMDPCYJFUQBJJX-FQEVSTJZSA-N 2 2 342.487 2.362 10 0 EEAELP CCCn1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000190312095 464620795 /nfs/dbraw/zinc/62/07/95/464620795.db2.gz FMDPCYJFUQBJJX-FQEVSTJZSA-N 2 2 342.487 2.362 10 0 EEAELP CCCn1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000190312095 464620802 /nfs/dbraw/zinc/62/08/02/464620802.db2.gz FMDPCYJFUQBJJX-FQEVSTJZSA-N 2 2 342.487 2.362 10 0 EEAELP c1cc([C@@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2cc[nH]n2)n[nH]1 ZINC000286200358 464837779 /nfs/dbraw/zinc/83/77/79/464837779.db2.gz PYGQJKYVSZMVJE-ROUUACIJSA-N 2 2 344.463 2.123 10 0 EEAELP CC(C)c1ccc(NC(=O)C[NH+]2CCN(c3[nH+]ccn3C)CC2)cc1 ZINC000266881230 464857199 /nfs/dbraw/zinc/85/71/99/464857199.db2.gz AKDPDTZVPBVSHJ-UHFFFAOYSA-N 2 2 341.459 2.304 10 0 EEAELP Cc1ccc(CCCC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000177114830 464935270 /nfs/dbraw/zinc/93/52/70/464935270.db2.gz SRPGLBKGDSRAJW-UHFFFAOYSA-N 2 2 331.504 2.460 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000337344722 465316619 /nfs/dbraw/zinc/31/66/19/465316619.db2.gz KPVRLRLPXCZKRL-QGZVFWFLSA-N 2 2 341.459 2.250 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CCCCCO ZINC000348184617 465478559 /nfs/dbraw/zinc/47/85/59/465478559.db2.gz OYFYPUYIXGUTNR-CQSZACIVSA-N 2 2 330.432 2.498 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CCCCCO ZINC000348184617 465478562 /nfs/dbraw/zinc/47/85/62/465478562.db2.gz OYFYPUYIXGUTNR-CQSZACIVSA-N 2 2 330.432 2.498 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[NH+](C3CC3)CC2)cc[nH+]1 ZINC000330124663 465540686 /nfs/dbraw/zinc/54/06/86/465540686.db2.gz IDHWEUDMAJJNDR-WMZOPIPTSA-N 2 2 345.491 2.377 10 0 EEAELP NC(=O)c1cccc(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)c1 ZINC000337807539 465597738 /nfs/dbraw/zinc/59/77/38/465597738.db2.gz IQTQPFZFPGOOMA-UHFFFAOYSA-N 2 2 326.425 2.365 10 0 EEAELP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1=O ZINC000360992026 465688679 /nfs/dbraw/zinc/68/86/79/465688679.db2.gz YSOUKRNGDUZAIW-MRVWCRGKSA-N 2 2 333.398 2.002 10 0 EEAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)o1 ZINC000361043105 465725946 /nfs/dbraw/zinc/72/59/46/465725946.db2.gz NPKLKRGFWMSBJQ-VNQPRFMTSA-N 2 2 342.443 2.417 10 0 EEAELP FC(F)(F)CC[NH+]1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000361343847 465923443 /nfs/dbraw/zinc/92/34/43/465923443.db2.gz MMBMIONZBJGVAO-UHFFFAOYSA-N 3 2 337.430 2.105 10 0 EEAELP CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000357304573 465931211 /nfs/dbraw/zinc/93/12/11/465931211.db2.gz KDSYPZCOPNSKSP-NVXWUHKLSA-N 2 2 333.476 2.389 10 0 EEAELP CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000357304573 465931218 /nfs/dbraw/zinc/93/12/18/465931218.db2.gz KDSYPZCOPNSKSP-NVXWUHKLSA-N 2 2 333.476 2.389 10 0 EEAELP CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000357304572 465931559 /nfs/dbraw/zinc/93/15/59/465931559.db2.gz KDSYPZCOPNSKSP-DOTOQJQBSA-N 2 2 333.476 2.389 10 0 EEAELP CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000357304572 465931566 /nfs/dbraw/zinc/93/15/66/465931566.db2.gz KDSYPZCOPNSKSP-DOTOQJQBSA-N 2 2 333.476 2.389 10 0 EEAELP C[NH+](C)CCN(Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H]1CCCO1 ZINC000349070049 465949591 /nfs/dbraw/zinc/94/95/91/465949591.db2.gz AQDIQVLSJRCROA-INIZCTEOSA-N 2 2 334.489 2.476 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569246122 468463369 /nfs/dbraw/zinc/46/33/69/468463369.db2.gz WDDQUGHWNVNURZ-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569246122 468463375 /nfs/dbraw/zinc/46/33/75/468463375.db2.gz WDDQUGHWNVNURZ-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569246123 468463561 /nfs/dbraw/zinc/46/35/61/468463561.db2.gz WDDQUGHWNVNURZ-KXBFYZLASA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569246123 468463566 /nfs/dbraw/zinc/46/35/66/468463566.db2.gz WDDQUGHWNVNURZ-KXBFYZLASA-N 2 2 333.451 2.421 10 0 EEAELP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)CS(C)(=O)=O ZINC000346232735 466012793 /nfs/dbraw/zinc/01/27/93/466012793.db2.gz YNGRVZCUZKHYKZ-GFCCVEGCSA-N 2 2 327.475 2.189 10 0 EEAELP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)[C@H](C)CS(C)(=O)=O ZINC000346232735 466012800 /nfs/dbraw/zinc/01/28/00/466012800.db2.gz YNGRVZCUZKHYKZ-GFCCVEGCSA-N 2 2 327.475 2.189 10 0 EEAELP CCc1cccc(F)c1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000353661235 466047912 /nfs/dbraw/zinc/04/79/12/466047912.db2.gz OQUWMEBLPAEMHV-UHFFFAOYSA-N 2 2 333.451 2.128 10 0 EEAELP C[C@@H]1C[N@H+](CCN(C)c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@H](C)O1 ZINC000302862429 466198849 /nfs/dbraw/zinc/19/88/49/466198849.db2.gz RBVYMKJDBNMJBA-YESZJQIVSA-N 2 2 347.507 2.258 10 0 EEAELP C[C@@H]1C[N@@H+](CCN(C)c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@H](C)O1 ZINC000302862429 466198855 /nfs/dbraw/zinc/19/88/55/466198855.db2.gz RBVYMKJDBNMJBA-YESZJQIVSA-N 2 2 347.507 2.258 10 0 EEAELP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1[nH+]cc(C)c(OC)c1C ZINC000372279734 466271153 /nfs/dbraw/zinc/27/11/53/466271153.db2.gz ASXSYPJLFFAQJV-HUUCEWRRSA-N 2 2 336.432 2.250 10 0 EEAELP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1[nH+]cc(C)c(OC)c1C ZINC000372279734 466271160 /nfs/dbraw/zinc/27/11/60/466271160.db2.gz ASXSYPJLFFAQJV-HUUCEWRRSA-N 2 2 336.432 2.250 10 0 EEAELP CCN(CC[NH+]1CCOCC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000340817342 466358629 /nfs/dbraw/zinc/35/86/29/466358629.db2.gz LTZKIKJTOYANKS-AZUAARDMSA-N 2 2 331.504 2.476 10 0 EEAELP CCN(CC[NH+]1CCOCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000340817342 466358637 /nfs/dbraw/zinc/35/86/37/466358637.db2.gz LTZKIKJTOYANKS-AZUAARDMSA-N 2 2 331.504 2.476 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324410322 466647235 /nfs/dbraw/zinc/64/72/35/466647235.db2.gz VOMXXSGYKMBSRC-BPQIPLTHSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000324410322 466647238 /nfs/dbraw/zinc/64/72/38/466647238.db2.gz VOMXXSGYKMBSRC-BPQIPLTHSA-N 2 2 327.472 2.428 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)CC2 ZINC000374695886 466716562 /nfs/dbraw/zinc/71/65/62/466716562.db2.gz VMYIPLUDLCMNEO-INIZCTEOSA-N 2 2 345.422 2.159 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424165056 466994576 /nfs/dbraw/zinc/99/45/76/466994576.db2.gz DEMUPXUXMWEJOX-KJEVXHAQSA-N 2 2 325.815 2.078 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424165056 466994579 /nfs/dbraw/zinc/99/45/79/466994579.db2.gz DEMUPXUXMWEJOX-KJEVXHAQSA-N 2 2 325.815 2.078 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)C[NH3+])c(C)c1 ZINC000417943736 466997765 /nfs/dbraw/zinc/99/77/65/466997765.db2.gz VICUPNURLSZPCI-INIZCTEOSA-N 2 2 329.448 2.278 10 0 EEAELP F[C@@]1(c2ccccc2)C[C@H]1[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000424331664 467030670 /nfs/dbraw/zinc/03/06/70/467030670.db2.gz SCFGZSLISIASSR-WOJBJXKFSA-N 2 2 347.478 2.010 10 0 EEAELP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000412699852 467113292 /nfs/dbraw/zinc/11/32/92/467113292.db2.gz PPHUSQPRSZTKKW-MRXNPFEDSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000412699852 467113295 /nfs/dbraw/zinc/11/32/95/467113295.db2.gz PPHUSQPRSZTKKW-MRXNPFEDSA-N 2 2 338.455 2.494 10 0 EEAELP CC(C)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378069782 467190277 /nfs/dbraw/zinc/19/02/77/467190277.db2.gz CITRBMNHPDLLEJ-RVKKMQEKSA-N 2 2 348.491 2.250 10 0 EEAELP CC(C)[C@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378069782 467190280 /nfs/dbraw/zinc/19/02/80/467190280.db2.gz CITRBMNHPDLLEJ-RVKKMQEKSA-N 2 2 348.491 2.250 10 0 EEAELP CC(C)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378069782 467190283 /nfs/dbraw/zinc/19/02/83/467190283.db2.gz CITRBMNHPDLLEJ-RVKKMQEKSA-N 2 2 348.491 2.250 10 0 EEAELP CC(C)[C@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000378069782 467190288 /nfs/dbraw/zinc/19/02/88/467190288.db2.gz CITRBMNHPDLLEJ-RVKKMQEKSA-N 2 2 348.491 2.250 10 0 EEAELP CCc1oc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000378162359 467216457 /nfs/dbraw/zinc/21/64/57/467216457.db2.gz VXUSBZWHOFDSFU-INIZCTEOSA-N 2 2 333.476 2.391 10 0 EEAELP CCc1oc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1C ZINC000378162359 467216462 /nfs/dbraw/zinc/21/64/62/467216462.db2.gz VXUSBZWHOFDSFU-INIZCTEOSA-N 2 2 333.476 2.391 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420394825 467393844 /nfs/dbraw/zinc/39/38/44/467393844.db2.gz CVEBDPLCUYXWKE-QLFBSQMISA-N 2 2 333.501 2.431 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420394825 467393849 /nfs/dbraw/zinc/39/38/49/467393849.db2.gz CVEBDPLCUYXWKE-QLFBSQMISA-N 2 2 333.501 2.431 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000389862549 467402983 /nfs/dbraw/zinc/40/29/83/467402983.db2.gz IVWZBDXMIPQMCE-YVWKXTFCSA-N 2 2 344.455 2.267 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000389862549 467402988 /nfs/dbraw/zinc/40/29/88/467402988.db2.gz IVWZBDXMIPQMCE-YVWKXTFCSA-N 2 2 344.455 2.267 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000414923455 467450419 /nfs/dbraw/zinc/45/04/19/467450419.db2.gz HERWGZDZVQTBAR-YGRLFVJLSA-N 2 2 325.250 2.472 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414929292 467452400 /nfs/dbraw/zinc/45/24/00/467452400.db2.gz NRXQKKUUCQWREG-HEHGZKQESA-N 2 2 335.448 2.009 10 0 EEAELP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000453105607 467460978 /nfs/dbraw/zinc/46/09/78/467460978.db2.gz XGNLBJQTEHXXQQ-RNCFNFMXSA-N 2 2 331.229 2.088 10 0 EEAELP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000453267673 467474097 /nfs/dbraw/zinc/47/40/97/467474097.db2.gz PNRSXYHYVQONCF-OCCSQVGLSA-N 2 2 327.856 2.241 10 0 EEAELP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000453267673 467474099 /nfs/dbraw/zinc/47/40/99/467474099.db2.gz PNRSXYHYVQONCF-OCCSQVGLSA-N 2 2 327.856 2.241 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCCO2 ZINC000453268596 467474227 /nfs/dbraw/zinc/47/42/27/467474227.db2.gz QHWPMNASUIXPCW-DLBZAZTESA-N 2 2 334.460 2.345 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCCO2 ZINC000453268596 467474230 /nfs/dbraw/zinc/47/42/30/467474230.db2.gz QHWPMNASUIXPCW-DLBZAZTESA-N 2 2 334.460 2.345 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2nnc(CC)[nH]2)CC1 ZINC000449346027 467632739 /nfs/dbraw/zinc/63/27/39/467632739.db2.gz LHBCKZGINBBNQN-UHFFFAOYSA-N 2 2 342.491 2.189 10 0 EEAELP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1OCC ZINC000449392813 467637344 /nfs/dbraw/zinc/63/73/44/467637344.db2.gz LAXMMVPCJSLHLL-KRWDZBQOSA-N 2 2 336.476 2.420 10 0 EEAELP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1OCC ZINC000449392813 467637348 /nfs/dbraw/zinc/63/73/48/467637348.db2.gz LAXMMVPCJSLHLL-KRWDZBQOSA-N 2 2 336.476 2.420 10 0 EEAELP Cc1nc(N2CC[NH+](C[C@@H](O)[C@H](C)c3ccccc3)CC2)cc[nH+]1 ZINC000450749488 467901293 /nfs/dbraw/zinc/90/12/93/467901293.db2.gz ZIOFSOKVLFZDDE-CRAIPNDOSA-N 2 2 326.444 2.072 10 0 EEAELP CN1CC[NH+](C[C@H](O)CNc2ccc([NH2+]CC3CCCC3)cc2)CC1 ZINC000514933437 467963996 /nfs/dbraw/zinc/96/39/96/467963996.db2.gz XHCUSKUZBDYXPW-HXUWFJFHSA-N 2 2 346.519 2.309 10 0 EEAELP C[NH+]1CCN(C[C@H](O)CNc2ccc([NH2+]CC3CCCC3)cc2)CC1 ZINC000514933437 467963997 /nfs/dbraw/zinc/96/39/97/467963997.db2.gz XHCUSKUZBDYXPW-HXUWFJFHSA-N 2 2 346.519 2.309 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530219698 467965080 /nfs/dbraw/zinc/96/50/80/467965080.db2.gz MRODLSDKJUVZPO-CJNGLKHVSA-N 2 2 337.489 2.383 10 0 EEAELP COc1c(N)[nH+]cnc1NCc1ccccc1C[NH+]1CCCCC1 ZINC000577650549 468189665 /nfs/dbraw/zinc/18/96/65/468189665.db2.gz XRTSINIGFFHWLI-UHFFFAOYSA-N 2 2 327.432 2.665 10 0 EEAELP COc1c(N)nc[nH+]c1NCc1ccccc1C[NH+]1CCCCC1 ZINC000577650549 468189670 /nfs/dbraw/zinc/18/96/70/468189670.db2.gz XRTSINIGFFHWLI-UHFFFAOYSA-N 2 2 327.432 2.665 10 0 EEAELP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cccc1 ZINC000520569663 468259369 /nfs/dbraw/zinc/25/93/69/468259369.db2.gz UQWDNZSDBZFOSR-INIZCTEOSA-N 2 2 332.492 2.114 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569927684 468565161 /nfs/dbraw/zinc/56/51/61/468565161.db2.gz GOABQNPFAMYABN-HNAYVOBHSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569927684 468565166 /nfs/dbraw/zinc/56/51/66/468565166.db2.gz GOABQNPFAMYABN-HNAYVOBHSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000570177345 468600604 /nfs/dbraw/zinc/60/06/04/468600604.db2.gz YUNXWKCQRRTGTN-QGZVFWFLSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@@H]1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000570177345 468600608 /nfs/dbraw/zinc/60/06/08/468600608.db2.gz YUNXWKCQRRTGTN-QGZVFWFLSA-N 2 2 329.488 2.451 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000583820687 468761093 /nfs/dbraw/zinc/76/10/93/468761093.db2.gz MUVWGNLMRDPULF-AEFFLSMTSA-N 2 2 338.455 2.403 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000583820687 468761099 /nfs/dbraw/zinc/76/10/99/468761099.db2.gz MUVWGNLMRDPULF-AEFFLSMTSA-N 2 2 338.455 2.403 10 0 EEAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)CC(F)(F)C[NH3+])n2)C1 ZINC000571532617 468803449 /nfs/dbraw/zinc/80/34/49/468803449.db2.gz VSOAPENLLOTYQZ-SNVBAGLBSA-N 2 2 332.420 2.298 10 0 EEAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)CC(F)(F)C[NH3+])n2)C1 ZINC000571532617 468803451 /nfs/dbraw/zinc/80/34/51/468803451.db2.gz VSOAPENLLOTYQZ-SNVBAGLBSA-N 2 2 332.420 2.298 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000561148557 468867317 /nfs/dbraw/zinc/86/73/17/468867317.db2.gz JNTFIPSZXYYJSA-IRXDYDNUSA-N 2 2 339.443 2.045 10 0 EEAELP COc1cc(C)ccc1C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000562517855 468975968 /nfs/dbraw/zinc/97/59/68/468975968.db2.gz XIBNGTLFAVWDJA-INIZCTEOSA-N 2 2 342.443 2.018 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588963615 469184937 /nfs/dbraw/zinc/18/49/37/469184937.db2.gz CQCCWOMUYNRPRU-HNNXBMFYSA-N 2 2 333.480 2.283 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588963615 469184940 /nfs/dbraw/zinc/18/49/40/469184940.db2.gz CQCCWOMUYNRPRU-HNNXBMFYSA-N 2 2 333.480 2.283 10 0 EEAELP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000573844363 469219027 /nfs/dbraw/zinc/21/90/27/469219027.db2.gz QEQJXJMWANZVCC-MOPGFXCFSA-N 2 2 340.471 2.240 10 0 EEAELP Cn1cc([C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000573844363 469219030 /nfs/dbraw/zinc/21/90/30/469219030.db2.gz QEQJXJMWANZVCC-MOPGFXCFSA-N 2 2 340.471 2.240 10 0 EEAELP CCS[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596457019 469272556 /nfs/dbraw/zinc/27/25/56/469272556.db2.gz BXTSEQKCWPSXSY-JKSUJKDBSA-N 2 2 344.569 2.233 10 0 EEAELP CCS[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596457019 469272562 /nfs/dbraw/zinc/27/25/62/469272562.db2.gz BXTSEQKCWPSXSY-JKSUJKDBSA-N 2 2 344.569 2.233 10 0 EEAELP [NH3+]C[C@H]1C[N@H+](Cc2ccncc2Br)CC12CCOCC2 ZINC000629533409 469574653 /nfs/dbraw/zinc/57/46/53/469574653.db2.gz YUZHJXAQVILBEM-ZDUSSCGKSA-N 2 2 340.265 2.031 10 0 EEAELP [NH3+]C[C@H]1C[N@@H+](Cc2ccncc2Br)CC12CCOCC2 ZINC000629533409 469574659 /nfs/dbraw/zinc/57/46/59/469574659.db2.gz YUZHJXAQVILBEM-ZDUSSCGKSA-N 2 2 340.265 2.031 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623574151 469698495 /nfs/dbraw/zinc/69/84/95/469698495.db2.gz GHDDNLFXIXRFKF-LJQANCHMSA-N 2 2 349.482 2.469 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cccc3n[nH]cc32)C1 ZINC000623574151 469698502 /nfs/dbraw/zinc/69/85/02/469698502.db2.gz GHDDNLFXIXRFKF-LJQANCHMSA-N 2 2 349.482 2.469 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000617551178 469723252 /nfs/dbraw/zinc/72/32/52/469723252.db2.gz MUJFYHZPJJWBJC-DLBZAZTESA-N 2 2 326.444 2.484 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC000617551178 469723258 /nfs/dbraw/zinc/72/32/58/469723258.db2.gz MUJFYHZPJJWBJC-DLBZAZTESA-N 2 2 326.444 2.484 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000623876789 469786526 /nfs/dbraw/zinc/78/65/26/469786526.db2.gz FZKAONLCOMDZRG-IEBWSBKVSA-N 2 2 348.487 2.445 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC([N@H+](C)Cc3ccccc3)C1)CC2 ZINC000627124447 469819777 /nfs/dbraw/zinc/81/97/77/469819777.db2.gz UEIJBXDQQBDHDN-KRWDZBQOSA-N 2 2 338.455 2.097 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC([N@@H+](C)Cc3ccccc3)C1)CC2 ZINC000627124447 469819781 /nfs/dbraw/zinc/81/97/81/469819781.db2.gz UEIJBXDQQBDHDN-KRWDZBQOSA-N 2 2 338.455 2.097 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000627161181 469829032 /nfs/dbraw/zinc/82/90/32/469829032.db2.gz VMKZBYFRFSTFKA-XHSDSOJGSA-N 2 2 327.432 2.281 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccncc1Br ZINC000631062615 470061028 /nfs/dbraw/zinc/06/10/28/470061028.db2.gz XNZDENAKQNYDQB-CYBMUJFWSA-N 2 2 328.254 2.045 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccncc1Br ZINC000631062615 470061031 /nfs/dbraw/zinc/06/10/31/470061031.db2.gz XNZDENAKQNYDQB-CYBMUJFWSA-N 2 2 328.254 2.045 10 0 EEAELP CC[NH+]1CCN(c2cccc(NC(=O)C(C)(C)c3c[nH+]c[nH]3)c2)CC1 ZINC000621957735 470136822 /nfs/dbraw/zinc/13/68/22/470136822.db2.gz FFWINUZWCWUFHP-UHFFFAOYSA-N 2 2 341.459 2.468 10 0 EEAELP CC[NH+]1CCN(c2cccc(NC(=O)C(C)(C)c3c[nH]c[nH+]3)c2)CC1 ZINC000621957735 470136825 /nfs/dbraw/zinc/13/68/25/470136825.db2.gz FFWINUZWCWUFHP-UHFFFAOYSA-N 2 2 341.459 2.468 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCCC1)CC2 ZINC000625483882 470153090 /nfs/dbraw/zinc/15/30/90/470153090.db2.gz XWIMPLLVQABVNJ-INIZCTEOSA-N 2 2 332.492 2.477 10 0 EEAELP C[N@H+](CC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@H]1CCSC1 ZINC000628774957 470154374 /nfs/dbraw/zinc/15/43/74/470154374.db2.gz XPRAUHGOFCWEMX-GOEBONIOSA-N 2 2 348.447 2.192 10 0 EEAELP C[N@@H+](CC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@H]1CCSC1 ZINC000628774957 470154378 /nfs/dbraw/zinc/15/43/78/470154378.db2.gz XPRAUHGOFCWEMX-GOEBONIOSA-N 2 2 348.447 2.192 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCc1ccc(Cl)cc1 ZINC000631886901 470189561 /nfs/dbraw/zinc/18/95/61/470189561.db2.gz MXLZZUIQDIHZSK-RDJZCZTQSA-N 2 2 335.879 2.073 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)NCCc1ccc(Cl)cc1 ZINC000631886901 470189562 /nfs/dbraw/zinc/18/95/62/470189562.db2.gz MXLZZUIQDIHZSK-RDJZCZTQSA-N 2 2 335.879 2.073 10 0 EEAELP C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000649100994 470464133 /nfs/dbraw/zinc/46/41/33/470464133.db2.gz HRKUXKNIBOWOEX-MSOLQXFVSA-N 2 2 326.444 2.125 10 0 EEAELP C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@H](c2ccccc2)C1 ZINC000649100994 470464138 /nfs/dbraw/zinc/46/41/38/470464138.db2.gz HRKUXKNIBOWOEX-MSOLQXFVSA-N 2 2 326.444 2.125 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)[C@@H](C)C1 ZINC000649587808 470635047 /nfs/dbraw/zinc/63/50/47/470635047.db2.gz SKVFAFWSYCQXPW-QFBILLFUSA-N 2 2 334.508 2.446 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)[C@@H](C)C1 ZINC000649587808 470635050 /nfs/dbraw/zinc/63/50/50/470635050.db2.gz SKVFAFWSYCQXPW-QFBILLFUSA-N 2 2 334.508 2.446 10 0 EEAELP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000649591603 470635930 /nfs/dbraw/zinc/63/59/30/470635930.db2.gz BWUINGHNKFIPBT-HNAYVOBHSA-N 2 2 325.460 2.223 10 0 EEAELP Cc1cncc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)n1 ZINC000649591603 470635935 /nfs/dbraw/zinc/63/59/35/470635935.db2.gz BWUINGHNKFIPBT-HNAYVOBHSA-N 2 2 325.460 2.223 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3oc(-c4ccccc4)cc3C2)CC1 ZINC000649675951 470664176 /nfs/dbraw/zinc/66/41/76/470664176.db2.gz OPYQTMNFPWUPLN-UHFFFAOYSA-N 2 2 339.439 2.079 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2CCc3oc(-c4ccccc4)cc3C2)CC1 ZINC000649675951 470664178 /nfs/dbraw/zinc/66/41/78/470664178.db2.gz OPYQTMNFPWUPLN-UHFFFAOYSA-N 2 2 339.439 2.079 10 0 EEAELP Fc1ccccc1Cc1nnc2n1CC[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000649714217 470673313 /nfs/dbraw/zinc/67/33/13/470673313.db2.gz WKHZRSRSRYITIB-UHFFFAOYSA-N 2 2 340.406 2.110 10 0 EEAELP Fc1ccccc1Cc1nnc2n1CC[N@H+](CCCn1cc[nH+]c1)C2 ZINC000649714217 470673320 /nfs/dbraw/zinc/67/33/20/470673320.db2.gz WKHZRSRSRYITIB-UHFFFAOYSA-N 2 2 340.406 2.110 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647179056 470849348 /nfs/dbraw/zinc/84/93/48/470849348.db2.gz ZZHXCFZGWKQIDA-INIZCTEOSA-N 2 2 332.448 2.189 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647179056 470849354 /nfs/dbraw/zinc/84/93/54/470849354.db2.gz ZZHXCFZGWKQIDA-INIZCTEOSA-N 2 2 332.448 2.189 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccc(OC)cc2OC(F)F)C[C@H]1C[NH3+] ZINC000650715213 470948768 /nfs/dbraw/zinc/94/87/68/470948768.db2.gz VBFACZKDAUAGTO-IUODEOHRSA-N 2 2 330.375 2.092 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccc(OC)cc2OC(F)F)C[C@H]1C[NH3+] ZINC000650715213 470948771 /nfs/dbraw/zinc/94/87/71/470948771.db2.gz VBFACZKDAUAGTO-IUODEOHRSA-N 2 2 330.375 2.092 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899419 471010758 /nfs/dbraw/zinc/01/07/58/471010758.db2.gz JTDBNIMQQPDRJA-HKUYNNGSSA-N 2 2 345.487 2.118 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899419 471010760 /nfs/dbraw/zinc/01/07/60/471010760.db2.gz JTDBNIMQQPDRJA-HKUYNNGSSA-N 2 2 345.487 2.118 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1cccs1 ZINC000651007735 471024137 /nfs/dbraw/zinc/02/41/37/471024137.db2.gz GPQMPMZLFGWCMB-CQSZACIVSA-N 2 2 332.473 2.243 10 0 EEAELP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651170765 471076658 /nfs/dbraw/zinc/07/66/58/471076658.db2.gz YQIDHXKGWOHSKL-BZUAXINKSA-N 2 2 332.492 2.245 10 0 EEAELP c1c(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)nn2c1CCC2 ZINC000657391374 471123998 /nfs/dbraw/zinc/12/39/98/471123998.db2.gz RFCHQYRTEJRNAP-UHFFFAOYSA-N 2 2 332.492 2.202 10 0 EEAELP COc1cc2ccccc2cc1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891441 471159483 /nfs/dbraw/zinc/15/94/83/471159483.db2.gz WODWBHVQNOGGPH-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP COc1cc2ccccc2cc1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651891441 471159490 /nfs/dbraw/zinc/15/94/90/471159490.db2.gz WODWBHVQNOGGPH-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cccc(O)c2Cl)C1=O ZINC000645171989 471163790 /nfs/dbraw/zinc/16/37/90/471163790.db2.gz ULRSDEHZFDIQTJ-ZDUSSCGKSA-N 2 2 348.834 2.060 10 0 EEAELP O[C@]1(CC[NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)CCOC1 ZINC000651943222 471178758 /nfs/dbraw/zinc/17/87/58/471178758.db2.gz KBWHMUILNLYIKH-GOSISDBHSA-N 2 2 338.879 2.436 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000658342987 471291516 /nfs/dbraw/zinc/29/15/16/471291516.db2.gz PQGBUKAQNNIHLV-UAFMIMERSA-N 2 2 343.515 2.206 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)C1 ZINC000658342987 471291521 /nfs/dbraw/zinc/29/15/21/471291521.db2.gz PQGBUKAQNNIHLV-UAFMIMERSA-N 2 2 343.515 2.206 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655824970 471496428 /nfs/dbraw/zinc/49/64/28/471496428.db2.gz SDDGHYXNUFIHOH-YESZJQIVSA-N 2 2 328.460 2.460 10 0 EEAELP C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664087635 471633044 /nfs/dbraw/zinc/63/30/44/471633044.db2.gz PDBKAJOTJAAMQX-QAPCUYQASA-N 2 2 332.492 2.103 10 0 EEAELP C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664087635 471633050 /nfs/dbraw/zinc/63/30/50/471633050.db2.gz PDBKAJOTJAAMQX-QAPCUYQASA-N 2 2 332.492 2.103 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667045849 471634129 /nfs/dbraw/zinc/63/41/29/471634129.db2.gz PZMDUNZJOGLOLO-PVAVHDDUSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667045849 471634133 /nfs/dbraw/zinc/63/41/33/471634133.db2.gz PZMDUNZJOGLOLO-PVAVHDDUSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667045849 471634138 /nfs/dbraw/zinc/63/41/38/471634138.db2.gz PZMDUNZJOGLOLO-PVAVHDDUSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667045849 471634143 /nfs/dbraw/zinc/63/41/43/471634143.db2.gz PZMDUNZJOGLOLO-PVAVHDDUSA-N 2 2 338.455 2.466 10 0 EEAELP COc1ccc(-c2noc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n2)cc1 ZINC000664197171 471672668 /nfs/dbraw/zinc/67/26/68/471672668.db2.gz ZZLBRUHIICIDBQ-AWEZNQCLSA-N 2 2 347.463 2.429 10 0 EEAELP COc1ccc(-c2noc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n2)cc1 ZINC000664197171 471672673 /nfs/dbraw/zinc/67/26/73/471672673.db2.gz ZZLBRUHIICIDBQ-AWEZNQCLSA-N 2 2 347.463 2.429 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000653636891 471697208 /nfs/dbraw/zinc/69/72/08/471697208.db2.gz UKDYELCHZPNIDM-AAEUAGOBSA-N 2 2 345.281 2.421 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000653636891 471697210 /nfs/dbraw/zinc/69/72/10/471697210.db2.gz UKDYELCHZPNIDM-AAEUAGOBSA-N 2 2 345.281 2.421 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]CCc2cccc(Cl)c2)C1=O ZINC000656536957 471751340 /nfs/dbraw/zinc/75/13/40/471751340.db2.gz IXTKTHFAMYORTE-MRXNPFEDSA-N 2 2 346.862 2.397 10 0 EEAELP O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667506628 471803123 /nfs/dbraw/zinc/80/31/23/471803123.db2.gz KDWYHRSPAZYTGY-MRXNPFEDSA-N 2 2 339.443 2.006 10 0 EEAELP 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/nfs/dbraw/zinc/87/88/86/485878886.db2.gz RHHVQVKJLHMQPW-UHFFFAOYSA-N 2 2 337.489 2.165 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](CCO)C1 ZINC000671624640 485954295 /nfs/dbraw/zinc/95/42/95/485954295.db2.gz DVCRYXKPPRZBAT-HUUCEWRRSA-N 2 2 342.443 2.498 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](CCO)C1 ZINC000671624640 485954300 /nfs/dbraw/zinc/95/43/00/485954300.db2.gz DVCRYXKPPRZBAT-HUUCEWRRSA-N 2 2 342.443 2.498 10 0 EEAELP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179714496 533741198 /nfs/dbraw/zinc/74/11/98/533741198.db2.gz FWWRHKXTZISCAO-ROUUACIJSA-N 2 2 341.503 2.325 10 0 EEAELP CCOCC[N@@H+]1CCN(c2cc(N3CCCC3)[nH+]cn2)C[C@H]1CC ZINC000192305641 528756673 /nfs/dbraw/zinc/75/66/73/528756673.db2.gz FDJLEIYWGKDSDR-MRXNPFEDSA-N 2 2 333.480 2.014 10 0 EEAELP CCOCC[N@H+]1CCN(c2cc(N3CCCC3)[nH+]cn2)C[C@H]1CC ZINC000192305641 528756675 /nfs/dbraw/zinc/75/66/75/528756675.db2.gz FDJLEIYWGKDSDR-MRXNPFEDSA-N 2 2 333.480 2.014 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344.912 2.075 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)Cc2cnc(Cl)s2)CC[NH+]1C ZINC001480865718 1176138739 /nfs/dbraw/zinc/13/87/39/1176138739.db2.gz MCNHAYSMWLROJO-QWHCGFSZSA-N 2 2 344.912 2.075 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)Cc2cnc(Cl)s2)CC[NH+]1C ZINC001480865718 1176138744 /nfs/dbraw/zinc/13/87/44/1176138744.db2.gz MCNHAYSMWLROJO-QWHCGFSZSA-N 2 2 344.912 2.075 10 0 EEAELP CC/C=C/CC[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001266414525 1176505553 /nfs/dbraw/zinc/50/55/53/1176505553.db2.gz DQMWGCDCODCILK-OAZXXZECSA-N 2 2 330.476 2.286 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001671297899 1176810714 /nfs/dbraw/zinc/81/07/14/1176810714.db2.gz IMMNDNBEOGRLTP-KRWDZBQOSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001266717052 1177259075 /nfs/dbraw/zinc/25/90/75/1177259075.db2.gz UZNDCFLFFOGSEP-RYQLBKOJSA-N 2 2 340.471 2.458 10 0 EEAELP 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1178400798 /nfs/dbraw/zinc/40/07/98/1178400798.db2.gz VLPVKNOPFRADBF-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1conc1C[N@H+]1CCC[C@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001267172089 1178400800 /nfs/dbraw/zinc/40/08/00/1178400800.db2.gz VLPVKNOPFRADBF-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001691450511 1178845137 /nfs/dbraw/zinc/84/51/37/1178845137.db2.gz WOTUKUBFNJFUCM-YESZJQIVSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C1CC1 ZINC001267863929 1180650046 /nfs/dbraw/zinc/65/00/46/1180650046.db2.gz RUZJKQACBRWEKN-CQSZACIVSA-N 2 2 332.370 2.088 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001481410678 1181246956 /nfs/dbraw/zinc/24/69/56/1181246956.db2.gz LQPRICNDXIFCEW-QGZVFWFLSA-N 2 2 332.492 2.466 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001481410678 1181246964 /nfs/dbraw/zinc/24/69/64/1181246964.db2.gz LQPRICNDXIFCEW-QGZVFWFLSA-N 2 2 332.492 2.466 10 0 EEAELP Cc1cc(C)c(C[NH+]2CC(CNC(=O)CCn3cc[nH+]c3)C2)c(C)c1 ZINC001481637703 1182009454 /nfs/dbraw/zinc/00/94/54/1182009454.db2.gz OYLSXEZMLHBECU-UHFFFAOYSA-N 2 2 340.471 2.447 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268377345 1182391962 /nfs/dbraw/zinc/39/19/62/1182391962.db2.gz IXLPOAMSRRIFAI-GJZGRUSLSA-N 2 2 344.434 2.269 10 0 EEAELP C[C@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268377166 1182393204 /nfs/dbraw/zinc/39/32/04/1182393204.db2.gz HJHUSDUAIOIAKO-VXGBXAGGSA-N 2 2 345.274 2.249 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268404742 1182514819 /nfs/dbraw/zinc/51/48/19/1182514819.db2.gz KHRJYPKHVQZKTJ-KBPBESRZSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268404742 1182514822 /nfs/dbraw/zinc/51/48/22/1182514822.db2.gz KHRJYPKHVQZKTJ-KBPBESRZSA-N 2 2 332.423 2.412 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)oc1C ZINC001268407809 1182530405 /nfs/dbraw/zinc/53/04/05/1182530405.db2.gz VRRFXJOPVRVPSD-STQMWFEESA-N 2 2 333.436 2.124 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCC(CC[NH2+]CCCF)CC1 ZINC001481999959 1183114077 /nfs/dbraw/zinc/11/40/77/1183114077.db2.gz BIXLVNYUTANVOU-MRXNPFEDSA-N 2 2 336.455 2.023 10 0 EEAELP CC(C)c1noc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001268579323 1183350004 /nfs/dbraw/zinc/35/00/04/1183350004.db2.gz PMXMOASQYNABFM-WJNHHXLDSA-N 2 2 349.479 2.000 10 0 EEAELP CC(C)c1noc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001268579323 1183350008 /nfs/dbraw/zinc/35/00/08/1183350008.db2.gz PMXMOASQYNABFM-WJNHHXLDSA-N 2 2 349.479 2.000 10 0 EEAELP O=C(N[C@@H](C[NH2+]CCC(F)(F)F)C1CC1)c1cccc2[nH+]ccn21 ZINC001269093667 1183955461 /nfs/dbraw/zinc/95/54/61/1183955461.db2.gz BLUIRXMUDHGKIR-LBPRGKRZSA-N 2 2 340.349 2.385 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCC1([NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001482220570 1184287480 /nfs/dbraw/zinc/28/74/80/1184287480.db2.gz DDFOJAOIBFKMFE-QGZVFWFLSA-N 2 2 348.491 2.320 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCC1([NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001482220570 1184287484 /nfs/dbraw/zinc/28/74/84/1184287484.db2.gz DDFOJAOIBFKMFE-QGZVFWFLSA-N 2 2 348.491 2.320 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001269732886 1184562964 /nfs/dbraw/zinc/56/29/64/1184562964.db2.gz UNMRLOWPWHBHIX-GOSISDBHSA-N 2 2 336.455 2.407 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001269732886 1184562971 /nfs/dbraw/zinc/56/29/71/1184562971.db2.gz UNMRLOWPWHBHIX-GOSISDBHSA-N 2 2 336.455 2.407 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001269732886 1184562975 /nfs/dbraw/zinc/56/29/75/1184562975.db2.gz UNMRLOWPWHBHIX-GOSISDBHSA-N 2 2 336.455 2.407 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001269732886 1184562978 /nfs/dbraw/zinc/56/29/78/1184562978.db2.gz UNMRLOWPWHBHIX-GOSISDBHSA-N 2 2 336.455 2.407 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001269770363 1184608071 /nfs/dbraw/zinc/60/80/71/1184608071.db2.gz KILXYBKJFADTSY-INIZCTEOSA-N 2 2 341.459 2.074 10 0 EEAELP CCOCCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)CC2 ZINC001482246224 1184666883 /nfs/dbraw/zinc/66/68/83/1184666883.db2.gz ZTMGRMWFKHSUFO-UHFFFAOYSA-N 2 2 348.491 2.038 10 0 EEAELP CCCCOCC[N@@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001270335222 1185028655 /nfs/dbraw/zinc/02/86/55/1185028655.db2.gz DKHJDSYTNUJHOY-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP CCCCOCC[N@H+]1CCC2(C1)CCN(C(=O)Cc1c[nH+]c[nH]1)CC2 ZINC001270335222 1185028663 /nfs/dbraw/zinc/02/86/63/1185028663.db2.gz DKHJDSYTNUJHOY-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP O=C(N[C@@H](C[NH2+]CCCF)C1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001270412304 1185086971 /nfs/dbraw/zinc/08/69/71/1185086971.db2.gz FBQUYEXZILMCCH-CVEARBPZSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001482292244 1185126256 /nfs/dbraw/zinc/12/62/56/1185126256.db2.gz POPSOSMDKBXEIO-GFCCVEGCSA-N 2 2 335.839 2.027 10 0 EEAELP C[C@H](C[NH2+]Cc1ccnc(Cl)c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001482292244 1185126258 /nfs/dbraw/zinc/12/62/58/1185126258.db2.gz POPSOSMDKBXEIO-GFCCVEGCSA-N 2 2 335.839 2.027 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001482353727 1185489570 /nfs/dbraw/zinc/48/95/70/1185489570.db2.gz KPWUXRXIIBACAG-ZDUSSCGKSA-N 2 2 332.423 2.463 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001271543459 1186301858 /nfs/dbraw/zinc/30/18/58/1186301858.db2.gz ITHISFZULXPZPQ-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCCCO1 ZINC001271543459 1186301863 /nfs/dbraw/zinc/30/18/63/1186301863.db2.gz ITHISFZULXPZPQ-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP Cc1nc(C[NH2+][C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C(C)C)co1 ZINC001482556192 1186727914 /nfs/dbraw/zinc/72/79/14/1186727914.db2.gz GDHDOHMXUVJAIE-XJKSGUPXSA-N 2 2 333.436 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001280449475 1187937198 /nfs/dbraw/zinc/93/71/98/1187937198.db2.gz ZTARKUBGUIZWDO-CYBMUJFWSA-N 2 2 332.370 2.196 10 0 EEAELP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272838219 1193571706 /nfs/dbraw/zinc/57/17/06/1193571706.db2.gz SRFTUQQAKATUMX-KCPJHIHWSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@H](CC[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272838219 1193571707 /nfs/dbraw/zinc/57/17/07/1193571707.db2.gz SRFTUQQAKATUMX-KCPJHIHWSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001483199627 1189089303 /nfs/dbraw/zinc/08/93/03/1189089303.db2.gz PHRVLXGRTBFNLV-OAHLLOKOSA-N 2 2 328.460 2.475 10 0 EEAELP CCOCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001272262263 1189578896 /nfs/dbraw/zinc/57/88/96/1189578896.db2.gz OHDZQSNQLRPFQX-IAGOWNOFSA-N 2 2 344.459 2.167 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001485928597 1193648564 /nfs/dbraw/zinc/64/85/64/1193648564.db2.gz XKOKZGAONDLIIG-ZIAGYGMSSA-N 2 2 330.432 2.159 10 0 EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2nocc2C)C1 ZINC001409620538 1190110963 /nfs/dbraw/zinc/11/09/63/1190110963.db2.gz XBGXTXUPZROVDR-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2nocc2C)C1 ZINC001409620538 1190110968 /nfs/dbraw/zinc/11/09/68/1190110968.db2.gz XBGXTXUPZROVDR-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc2nocc2C)C1 ZINC001409620538 1190110975 /nfs/dbraw/zinc/11/09/75/1190110975.db2.gz XBGXTXUPZROVDR-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc2nocc2C)C1 ZINC001409620538 1190110978 /nfs/dbraw/zinc/11/09/78/1190110978.db2.gz XBGXTXUPZROVDR-JKSUJKDBSA-N 2 2 336.480 2.042 10 0 EEAELP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483359558 1190402643 /nfs/dbraw/zinc/40/26/43/1190402643.db2.gz XIJFTKSQGBSALK-WBVHZDCISA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483359558 1190402644 /nfs/dbraw/zinc/40/26/44/1190402644.db2.gz XIJFTKSQGBSALK-WBVHZDCISA-N 2 2 330.476 2.382 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)CCc1[nH+]ccn1C ZINC001483482057 1190501440 /nfs/dbraw/zinc/50/14/40/1190501440.db2.gz HTMIXIARRFCBOX-UHFFFAOYSA-N 2 2 332.423 2.130 10 0 EEAELP Cc1nc(C[NH+]2CCCCC[C@H]2CNC(=O)C[N@@H+](C)C2CCC2)co1 ZINC001409832473 1190662977 /nfs/dbraw/zinc/66/29/77/1190662977.db2.gz YFPVFYWHNAKIHL-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[NH+]2CCCCC[C@H]2CNC(=O)C[N@H+](C)C2CCC2)co1 ZINC001409832473 1190662979 /nfs/dbraw/zinc/66/29/79/1190662979.db2.gz YFPVFYWHNAKIHL-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@H+]2CCCCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)co1 ZINC001409832473 1190662981 /nfs/dbraw/zinc/66/29/81/1190662981.db2.gz YFPVFYWHNAKIHL-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CCCCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)co1 ZINC001409832473 1190662983 /nfs/dbraw/zinc/66/29/83/1190662983.db2.gz YFPVFYWHNAKIHL-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483657888 1190721677 /nfs/dbraw/zinc/72/16/77/1190721677.db2.gz FBUBWHDYTCQSFQ-INIZCTEOSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483657888 1190721679 /nfs/dbraw/zinc/72/16/79/1190721679.db2.gz FBUBWHDYTCQSFQ-INIZCTEOSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC001272573326 1190887547 /nfs/dbraw/zinc/88/75/47/1190887547.db2.gz DCTCOOFNUJTXMG-AWEZNQCLSA-N 2 2 347.488 2.054 10 0 EEAELP CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1CC ZINC001484324674 1191305382 /nfs/dbraw/zinc/30/53/82/1191305382.db2.gz VRJAGLNDZQPQHF-WMZOPIPTSA-N 2 2 340.471 2.475 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C)sn1 ZINC001484978727 1191605712 /nfs/dbraw/zinc/60/57/12/1191605712.db2.gz WDJLCMWTTJCJMA-GJZGRUSLSA-N 2 2 347.488 2.207 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C)sn1 ZINC001484978727 1191605714 /nfs/dbraw/zinc/60/57/14/1191605714.db2.gz WDJLCMWTTJCJMA-GJZGRUSLSA-N 2 2 347.488 2.207 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccsc1 ZINC001485165573 1191676380 /nfs/dbraw/zinc/67/63/80/1191676380.db2.gz YERBZSWPRDECQK-STQMWFEESA-N 2 2 333.457 2.377 10 0 EEAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001485231103 1191699620 /nfs/dbraw/zinc/69/96/20/1191699620.db2.gz CBDSIEFNOLNZOI-HUUCEWRRSA-N 2 2 332.423 2.485 10 0 EEAELP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001485341839 1191746720 /nfs/dbraw/zinc/74/67/20/1191746720.db2.gz LQQZDIAKSYEUNN-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001485341839 1191746721 /nfs/dbraw/zinc/74/67/21/1191746721.db2.gz LQQZDIAKSYEUNN-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001485341839 1191746723 /nfs/dbraw/zinc/74/67/23/1191746723.db2.gz LQQZDIAKSYEUNN-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001485341839 1191746725 /nfs/dbraw/zinc/74/67/25/1191746725.db2.gz LQQZDIAKSYEUNN-AEFFLSMTSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC[C@H]1CCCC1(F)F ZINC001485395454 1191772400 /nfs/dbraw/zinc/77/24/00/1191772400.db2.gz MPUQULKMGSUHPK-UONOGXRCSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC001485395454 1191772401 /nfs/dbraw/zinc/77/24/01/1191772401.db2.gz MPUQULKMGSUHPK-UONOGXRCSA-N 2 2 328.407 2.145 10 0 EEAELP CCCC[C@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001485466014 1191795243 /nfs/dbraw/zinc/79/52/43/1191795243.db2.gz LQCXOLSCAXKNHZ-JKSUJKDBSA-N 2 2 344.459 2.249 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2nocc2C)[C@H]1C ZINC001486184487 1193724547 /nfs/dbraw/zinc/72/45/47/1193724547.db2.gz VFLMOSHRLLEFMY-HOTGVXAUSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2nocc2C)[C@H]1C ZINC001486184487 1193724550 /nfs/dbraw/zinc/72/45/50/1193724550.db2.gz VFLMOSHRLLEFMY-HOTGVXAUSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2nocc2C)[C@H]1C ZINC001486184487 1193724551 /nfs/dbraw/zinc/72/45/51/1193724551.db2.gz VFLMOSHRLLEFMY-HOTGVXAUSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2nocc2C)[C@H]1C ZINC001486184487 1193724554 /nfs/dbraw/zinc/72/45/54/1193724554.db2.gz VFLMOSHRLLEFMY-HOTGVXAUSA-N 2 2 336.480 2.184 10 0 EEAELP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001486413001 1193922335 /nfs/dbraw/zinc/92/23/35/1193922335.db2.gz YBXDAFNWBPKUHN-DLBZAZTESA-N 2 2 339.524 2.159 10 0 EEAELP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001486413001 1193922338 /nfs/dbraw/zinc/92/23/38/1193922338.db2.gz YBXDAFNWBPKUHN-DLBZAZTESA-N 2 2 339.524 2.159 10 0 EEAELP Cc1cc(C)c(C[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)c(C)c1 ZINC001409980398 1196130857 /nfs/dbraw/zinc/13/08/57/1196130857.db2.gz VNDDFWUASMVAMW-KRWDZBQOSA-N 2 2 340.471 2.445 10 0 EEAELP C[C@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)CCc1c[nH+]cn1C ZINC001273152148 1197083883 /nfs/dbraw/zinc/08/38/83/1197083883.db2.gz VKESVZPPAOTOBA-LLVKDONJSA-N 2 2 333.263 2.156 10 0 EEAELP CC1(C)[C@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C[C@@H]1[NH3+] ZINC000871783263 1197899843 /nfs/dbraw/zinc/89/98/43/1197899843.db2.gz PIUHHJKHBXGLSC-HOTGVXAUSA-N 2 2 342.443 2.410 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]CCc1cccs1 ZINC001410451938 1197917715 /nfs/dbraw/zinc/91/77/15/1197917715.db2.gz WUJPJVFVTZMQPN-UONOGXRCSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]CCc1cccs1 ZINC001410451938 1197917717 /nfs/dbraw/zinc/91/77/17/1197917717.db2.gz WUJPJVFVTZMQPN-UONOGXRCSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000872118429 1198048799 /nfs/dbraw/zinc/04/87/99/1198048799.db2.gz ZIRRXNXQVZGTDV-RYRKJORJSA-N 2 2 331.460 2.225 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCC[C@H]1CCOC1=O ZINC000872118429 1198048809 /nfs/dbraw/zinc/04/88/09/1198048809.db2.gz ZIRRXNXQVZGTDV-RYRKJORJSA-N 2 2 331.460 2.225 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147222 1198055448 /nfs/dbraw/zinc/05/54/48/1198055448.db2.gz GESYEQQTOZQVAZ-YUELXQCFSA-N 2 2 343.393 2.103 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147222 1198055457 /nfs/dbraw/zinc/05/54/57/1198055457.db2.gz GESYEQQTOZQVAZ-YUELXQCFSA-N 2 2 343.393 2.103 10 0 EEAELP CCN(CC[NH2+]Cc1nccs1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001273376776 1198399250 /nfs/dbraw/zinc/39/92/50/1198399250.db2.gz YMYQDRPNXXTELY-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]Cc1ccncc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001411213702 1198923207 /nfs/dbraw/zinc/92/32/07/1198923207.db2.gz GBIBNMAATNAGLG-OAHLLOKOSA-N 2 2 349.866 2.252 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000866518124 1201538645 /nfs/dbraw/zinc/53/86/45/1201538645.db2.gz VCPKZRSTTYXGHJ-XFUTXVRSSA-N 2 2 348.512 2.454 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000866518124 1201538649 /nfs/dbraw/zinc/53/86/49/1201538649.db2.gz VCPKZRSTTYXGHJ-XFUTXVRSSA-N 2 2 348.512 2.454 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]CCCC2CCCC2)CCOCC1 ZINC001274020625 1204328519 /nfs/dbraw/zinc/32/85/19/1204328519.db2.gz DNSRXIIGYFJVDY-UHFFFAOYSA-N 2 2 348.491 2.109 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ncoc2C(C)C)CC[N@@H+]1C ZINC001274034855 1204339010 /nfs/dbraw/zinc/33/90/10/1204339010.db2.gz IOBRRWWAZPHAMI-WWJLMDQWSA-N 2 2 348.491 2.290 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ncoc2C(C)C)CC[N@H+]1C ZINC001274034855 1204339014 /nfs/dbraw/zinc/33/90/14/1204339014.db2.gz IOBRRWWAZPHAMI-WWJLMDQWSA-N 2 2 348.491 2.290 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C/C[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001274120323 1204384698 /nfs/dbraw/zinc/38/46/98/1204384698.db2.gz YVCPMGXYDBKUII-SNAWJCMRSA-N 2 2 340.418 2.234 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001274760848 1205155053 /nfs/dbraw/zinc/15/50/53/1205155053.db2.gz TYKPKBBMCQUISZ-PBHICJAKSA-N 2 2 335.496 2.321 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001274760848 1205155055 /nfs/dbraw/zinc/15/50/55/1205155055.db2.gz TYKPKBBMCQUISZ-PBHICJAKSA-N 2 2 335.496 2.321 10 0 EEAELP CC(C)OCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001411861139 1205559514 /nfs/dbraw/zinc/55/95/14/1205559514.db2.gz ZDHIEDMCPDJVKS-UHFFFAOYSA-N 2 2 349.475 2.058 10 0 EEAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000924642826 1206009173 /nfs/dbraw/zinc/00/91/73/1206009173.db2.gz LXXCVLCLNAANGX-AABGKKOBSA-N 2 2 332.488 2.056 10 0 EEAELP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000924642826 1206009175 /nfs/dbraw/zinc/00/91/75/1206009175.db2.gz LXXCVLCLNAANGX-AABGKKOBSA-N 2 2 332.488 2.056 10 0 EEAELP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925793960 1206154469 /nfs/dbraw/zinc/15/44/69/1206154469.db2.gz KBERAOAIHDQPPR-DLBZAZTESA-N 2 2 345.487 2.176 10 0 EEAELP COc1cc(Br)cc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000925828755 1206157944 /nfs/dbraw/zinc/15/79/44/1206157944.db2.gz IAJJZDAHNHGWBI-BXUZGUMPSA-N 2 2 343.265 2.314 10 0 EEAELP [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000925914922 1206167809 /nfs/dbraw/zinc/16/78/09/1206167809.db2.gz GTFRTFAOFZUGDU-QWHCGFSZSA-N 2 2 337.493 2.378 10 0 EEAELP CC(F)(F)c1cccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000926095557 1206191321 /nfs/dbraw/zinc/19/13/21/1206191321.db2.gz HOHBUSGIBLXMIN-UHFFFAOYSA-N 2 2 326.391 2.343 10 0 EEAELP Nc1c(Cl)cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000926096896 1206191355 /nfs/dbraw/zinc/19/13/55/1206191355.db2.gz WBLZVVXLYSNADN-UHFFFAOYSA-N 2 2 346.262 2.120 10 0 EEAELP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H](O)c1ccc2c(c1)OCO2 ZINC000926311306 1206212903 /nfs/dbraw/zinc/21/29/03/1206212903.db2.gz ULXCRQIINULJSD-FJXLLPKBSA-N 2 2 332.444 2.444 10 0 EEAELP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H](O)c1ccc2c(c1)OCO2 ZINC000926311306 1206212904 /nfs/dbraw/zinc/21/29/04/1206212904.db2.gz ULXCRQIINULJSD-FJXLLPKBSA-N 2 2 332.444 2.444 10 0 EEAELP CON1CC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000929772029 1206500228 /nfs/dbraw/zinc/50/02/28/1206500228.db2.gz DBZZSGATLPPDJY-AZUAARDMSA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000929772029 1206500230 /nfs/dbraw/zinc/50/02/30/1206500230.db2.gz DBZZSGATLPPDJY-AZUAARDMSA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000929772029 1206500233 /nfs/dbraw/zinc/50/02/33/1206500233.db2.gz DBZZSGATLPPDJY-AZUAARDMSA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000929772029 1206500235 /nfs/dbraw/zinc/50/02/35/1206500235.db2.gz DBZZSGATLPPDJY-AZUAARDMSA-N 2 2 343.471 2.137 10 0 EEAELP Cc1cc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c(C)nn1 ZINC000930045031 1206531109 /nfs/dbraw/zinc/53/11/09/1206531109.db2.gz LUEYKFOQZAEAKS-UHFFFAOYSA-N 2 2 331.508 2.084 10 0 EEAELP CN1CC[C@@H]([N@@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC000931215436 1206616659 /nfs/dbraw/zinc/61/66/59/1206616659.db2.gz XXLPWYKCBMGEOY-RLLQIKCJSA-N 2 2 327.472 2.061 10 0 EEAELP CN1CC[C@@H]([N@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC000931215436 1206616660 /nfs/dbraw/zinc/61/66/60/1206616660.db2.gz XXLPWYKCBMGEOY-RLLQIKCJSA-N 2 2 327.472 2.061 10 0 EEAELP CN1CC[C@@H]([NH+]2C[C@@]3(C)C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC000931215436 1206616661 /nfs/dbraw/zinc/61/66/61/1206616661.db2.gz XXLPWYKCBMGEOY-RLLQIKCJSA-N 2 2 327.472 2.061 10 0 EEAELP CN1CC[C@@H]([NH+]2C[C@@]3(C)C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC000931215436 1206616662 /nfs/dbraw/zinc/61/66/62/1206616662.db2.gz XXLPWYKCBMGEOY-RLLQIKCJSA-N 2 2 327.472 2.061 10 0 EEAELP COC(=O)c1ccccc1OCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310003 1206623489 /nfs/dbraw/zinc/62/34/89/1206623489.db2.gz ALCROMFVASWBGY-KDURUIRLSA-N 2 2 332.444 2.126 10 0 EEAELP COC(=O)c1ccccc1OCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310003 1206623490 /nfs/dbraw/zinc/62/34/90/1206623490.db2.gz ALCROMFVASWBGY-KDURUIRLSA-N 2 2 332.444 2.126 10 0 EEAELP COC(=O)c1ccccc1OCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931310003 1206623491 /nfs/dbraw/zinc/62/34/91/1206623491.db2.gz ALCROMFVASWBGY-KDURUIRLSA-N 2 2 332.444 2.126 10 0 EEAELP COC(=O)c1ccccc1OCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931310003 1206623493 /nfs/dbraw/zinc/62/34/93/1206623493.db2.gz ALCROMFVASWBGY-KDURUIRLSA-N 2 2 332.444 2.126 10 0 EEAELP COC(=O)c1ccccc1OCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931310004 1206623521 /nfs/dbraw/zinc/62/35/21/1206623521.db2.gz ALCROMFVASWBGY-OALUTQOASA-N 2 2 332.444 2.126 10 0 EEAELP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513050 1207402384 /nfs/dbraw/zinc/40/23/84/1207402384.db2.gz WAPLAUXUCXYODW-HNNXBMFYSA-N 2 2 327.428 2.079 10 0 EEAELP Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931513050 1207402385 /nfs/dbraw/zinc/40/23/85/1207402385.db2.gz WAPLAUXUCXYODW-HNNXBMFYSA-N 2 2 327.428 2.079 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310520 1212501641 /nfs/dbraw/zinc/50/16/41/1212501641.db2.gz OJLVQIPSUCZJLN-ICSRJNTNSA-N 2 2 327.472 2.205 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310520 1212501649 /nfs/dbraw/zinc/50/16/49/1212501649.db2.gz OJLVQIPSUCZJLN-ICSRJNTNSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310520 1212501652 /nfs/dbraw/zinc/50/16/52/1212501652.db2.gz OJLVQIPSUCZJLN-ICSRJNTNSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCN(Cc4ccccc4)C3=O)C2)C1 ZINC000795310520 1212501658 /nfs/dbraw/zinc/50/16/58/1212501658.db2.gz OJLVQIPSUCZJLN-ICSRJNTNSA-N 2 2 327.472 2.205 10 0 EEAELP C[C@@H](CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC001412951442 1216149806 /nfs/dbraw/zinc/14/98/06/1216149806.db2.gz GKVACLPIMMJDOO-ICSRJNTNSA-N 2 2 331.504 2.161 10 0 EEAELP C[C@@H](CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC001412951442 1216149807 /nfs/dbraw/zinc/14/98/07/1216149807.db2.gz GKVACLPIMMJDOO-ICSRJNTNSA-N 2 2 331.504 2.161 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001491542390 1245642682 /nfs/dbraw/zinc/64/26/82/1245642682.db2.gz HDCAWGACDWDTSG-IRXDYDNUSA-N 2 2 340.471 2.173 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001490960005 1258511292 /nfs/dbraw/zinc/51/12/92/1258511292.db2.gz JWZYHXMUJLXUBO-IYARVYRRSA-N 2 2 326.444 2.061 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H]([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001491299258 1258923748 /nfs/dbraw/zinc/92/37/48/1258923748.db2.gz GBYCAYCBNMXRJO-DZGCQCFKSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H]([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001491299258 1258923753 /nfs/dbraw/zinc/92/37/53/1258923753.db2.gz GBYCAYCBNMXRJO-DZGCQCFKSA-N 2 2 347.488 2.065 10 0 EEAELP CC(C)OCC[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001491365610 1259006877 /nfs/dbraw/zinc/00/68/77/1259006877.db2.gz GAXFFLVEDIUUFE-QQFBHYJXSA-N 2 2 336.480 2.030 10 0 EEAELP CC(C)OCC[NH2+]C1CCC(NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001491365610 1259006883 /nfs/dbraw/zinc/00/68/83/1259006883.db2.gz GAXFFLVEDIUUFE-QQFBHYJXSA-N 2 2 336.480 2.030 10 0 EEAELP 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2 348.491 2.272 10 0 EEAELP CC(C)c1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001491637857 1330193219 /nfs/dbraw/zinc/19/32/19/1330193219.db2.gz LMPHMJHJAQUYJJ-HNNXBMFYSA-N 2 2 328.460 2.381 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1coc(C)n1 ZINC001492160480 1331024899 /nfs/dbraw/zinc/02/48/99/1331024899.db2.gz YIUVIMSHHQZBDF-QGZVFWFLSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1coc(C)n1 ZINC001492160480 1331024907 /nfs/dbraw/zinc/02/49/07/1331024907.db2.gz YIUVIMSHHQZBDF-QGZVFWFLSA-N 2 2 345.447 2.049 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]Cc1cncs1 ZINC001316681099 1331314204 /nfs/dbraw/zinc/31/42/04/1331314204.db2.gz ISDADJVELCIDGC-CJNGLKHVSA-N 2 2 347.488 2.216 10 0 EEAELP COCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001317052521 1332062229 /nfs/dbraw/zinc/06/22/29/1332062229.db2.gz YNESCOMYWWJFTJ-IYBDPMFKSA-N 2 2 348.491 2.179 10 0 EEAELP COCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001317052521 1332062230 /nfs/dbraw/zinc/06/22/30/1332062230.db2.gz YNESCOMYWWJFTJ-IYBDPMFKSA-N 2 2 348.491 2.179 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001317335703 1332183924 /nfs/dbraw/zinc/18/39/24/1332183924.db2.gz FJSHAPSDFLPDMX-UONOGXRCSA-N 2 2 340.418 2.216 10 0 EEAELP COCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317354063 1332191599 /nfs/dbraw/zinc/19/15/99/1332191599.db2.gz BUUBAJABXPZWFK-JKSUJKDBSA-N 2 2 344.459 2.392 10 0 EEAELP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001319575112 1332722958 /nfs/dbraw/zinc/72/29/58/1332722958.db2.gz AIAGSRHKSFLKEV-CQSZACIVSA-N 2 2 334.489 2.093 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)CNC(=O)c1ccsc1 ZINC001320322365 1332861844 /nfs/dbraw/zinc/86/18/44/1332861844.db2.gz OQYIUSCDPIBMFV-UHFFFAOYSA-N 2 2 341.396 2.006 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]Cc3cncs3)ccn12 ZINC001320416796 1332878554 /nfs/dbraw/zinc/87/85/54/1332878554.db2.gz WFUVUGVZQWZMHW-LBPRGKRZSA-N 2 2 343.456 2.397 10 0 EEAELP Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001321272069 1333060522 /nfs/dbraw/zinc/06/05/22/1333060522.db2.gz RKHGKYUUPWWJGI-DSYXLKISSA-N 2 2 347.488 2.370 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001321559445 1333124257 /nfs/dbraw/zinc/12/42/57/1333124257.db2.gz DXLCCSLTULUFLF-SJLPKXTDSA-N 2 2 340.471 2.091 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCOCC(C)C)CC3)ccn12 ZINC001323444004 1333465422 /nfs/dbraw/zinc/46/54/22/1333465422.db2.gz UDOICTRFCQXHCZ-UHFFFAOYSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1ccccc1CCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001323554432 1333487606 /nfs/dbraw/zinc/48/76/06/1333487606.db2.gz HCEHPQBQKFWGOH-UHFFFAOYSA-N 2 2 326.444 2.132 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(C1)CCC[N@@H+](CCCCCF)C2 ZINC001323815554 1333546072 /nfs/dbraw/zinc/54/60/72/1333546072.db2.gz FNROKVNNJOMLOK-SFHVURJKSA-N 2 2 336.455 2.337 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@]2(C1)CCC[N@H+](CCCCCF)C2 ZINC001323815554 1333546074 /nfs/dbraw/zinc/54/60/74/1333546074.db2.gz FNROKVNNJOMLOK-SFHVURJKSA-N 2 2 336.455 2.337 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001326286357 1334059812 /nfs/dbraw/zinc/05/98/12/1334059812.db2.gz IQVFWHMLXCAYQP-CYBMUJFWSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]CC2CC(F)(F)C2)C1 ZINC001326286357 1334059814 /nfs/dbraw/zinc/05/98/14/1334059814.db2.gz IQVFWHMLXCAYQP-CYBMUJFWSA-N 2 2 340.418 2.216 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001326658720 1334136413 /nfs/dbraw/zinc/13/64/13/1334136413.db2.gz OYZGLJDILSOWNO-ZWKOTPCHSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001326658720 1334136420 /nfs/dbraw/zinc/13/64/20/1334136420.db2.gz OYZGLJDILSOWNO-ZWKOTPCHSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001326658720 1334136421 /nfs/dbraw/zinc/13/64/21/1334136421.db2.gz OYZGLJDILSOWNO-ZWKOTPCHSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+]1CCOC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001326658720 1334136425 /nfs/dbraw/zinc/13/64/25/1334136425.db2.gz OYZGLJDILSOWNO-ZWKOTPCHSA-N 2 2 339.524 2.257 10 0 EEAELP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328004796 1334377428 /nfs/dbraw/zinc/37/74/28/1334377428.db2.gz RRYQAWANNLDHIA-MRXNPFEDSA-N 2 2 330.476 2.382 10 0 EEAELP COCCCC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001328255038 1334427351 /nfs/dbraw/zinc/42/73/51/1334427351.db2.gz GXSKQQFHNCBWDC-WBVHZDCISA-N 2 2 349.475 2.028 10 0 EEAELP COCCCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)C[C@H]1C ZINC001328255038 1334427352 /nfs/dbraw/zinc/42/73/52/1334427352.db2.gz GXSKQQFHNCBWDC-WBVHZDCISA-N 2 2 349.475 2.028 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC/C=C/c1ccccc1 ZINC001331646526 1335051524 /nfs/dbraw/zinc/05/15/24/1335051524.db2.gz JIADCHYSZXUXBO-BHMZLHOFSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)nc1 ZINC001331647719 1335051816 /nfs/dbraw/zinc/05/18/16/1335051816.db2.gz NTTXCXQJTOCFQU-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cnc(Cl)n3C)CC2)CC1 ZINC000848917295 1338805896 /nfs/dbraw/zinc/80/58/96/1338805896.db2.gz FHHLNJTZKHGQBZ-UHFFFAOYSA-N 2 2 339.915 2.066 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3cnc(Cl)n3C)CC2)CC1 ZINC000848917295 1338805898 /nfs/dbraw/zinc/80/58/98/1338805898.db2.gz FHHLNJTZKHGQBZ-UHFFFAOYSA-N 2 2 339.915 2.066 10 0 EEAELP C[C@@H](CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCc1ccns1)n1cc[nH+]c1 ZINC001436318521 1342023277 /nfs/dbraw/zinc/02/32/77/1342023277.db2.gz HQSRPQKOALYYMG-GJZGRUSLSA-N 2 2 347.488 2.066 10 0 EEAELP C[C@@H](CC(=O)N(C)C[C@@H]1CC[N@H+]1CCc1ccns1)n1cc[nH+]c1 ZINC001436318521 1342023278 /nfs/dbraw/zinc/02/32/78/1342023278.db2.gz HQSRPQKOALYYMG-GJZGRUSLSA-N 2 2 347.488 2.066 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001480380160 1342096184 /nfs/dbraw/zinc/09/61/84/1342096184.db2.gz QAMRZQZTRAZTRO-HOTGVXAUSA-N 2 2 332.492 2.387 10 0 EEAELP CC(C)[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001480380160 1342096188 /nfs/dbraw/zinc/09/61/88/1342096188.db2.gz QAMRZQZTRAZTRO-HOTGVXAUSA-N 2 2 332.492 2.387 10 0 EEAELP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001506653561 1342303455 /nfs/dbraw/zinc/30/34/55/1342303455.db2.gz XPCVXIRCJZVTRU-CYBMUJFWSA-N 2 2 338.883 2.013 10 0 EEAELP Cc1nc(C[NH+]2CC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)sc1C ZINC001506677567 1342310608 /nfs/dbraw/zinc/31/06/08/1342310608.db2.gz FUPPDNRWRDMKNA-ZDUSSCGKSA-N 2 2 338.521 2.037 10 0 EEAELP Cc1nc(C[NH+]2CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C2)sc1C ZINC001506677567 1342310611 /nfs/dbraw/zinc/31/06/11/1342310611.db2.gz FUPPDNRWRDMKNA-ZDUSSCGKSA-N 2 2 338.521 2.037 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001566956101 1342660212 /nfs/dbraw/zinc/66/02/12/1342660212.db2.gz SRWATASVPKYCTN-QZTJIDSGSA-N 2 2 348.491 2.143 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001566956101 1342660217 /nfs/dbraw/zinc/66/02/17/1342660217.db2.gz SRWATASVPKYCTN-QZTJIDSGSA-N 2 2 348.491 2.143 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001567236602 1342714323 /nfs/dbraw/zinc/71/43/23/1342714323.db2.gz NPKBJOHNTAEZMJ-ZDUSSCGKSA-N 2 2 339.443 2.427 10 0 EEAELP COCCCC[NH+]1CCC(C)(NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001569573410 1342899238 /nfs/dbraw/zinc/89/92/38/1342899238.db2.gz REVPONFTDRZSBF-UHFFFAOYSA-N 2 2 349.475 2.030 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@@H](C[NH2+]CCC3CC3)C2)c[nH+]1 ZINC001569841319 1342956199 /nfs/dbraw/zinc/95/61/99/1342956199.db2.gz QJCPSPGUMNKYAH-YOEHRIQHSA-N 2 2 332.492 2.411 10 0 EEAELP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001571257787 1343171306 /nfs/dbraw/zinc/17/13/06/1343171306.db2.gz RYAWJRYGQXZVEA-SUMWQHHRSA-N 2 2 333.480 2.075 10 0 EEAELP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001571257787 1343171313 /nfs/dbraw/zinc/17/13/13/1343171313.db2.gz RYAWJRYGQXZVEA-SUMWQHHRSA-N 2 2 333.480 2.075 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1=CC[N@H+](C/C=C\Cl)CC1 ZINC001677566783 1357357929 /nfs/dbraw/zinc/35/79/29/1357357929.db2.gz NRTKTFSLOUWLNR-CLTKARDFSA-N 2 2 348.878 2.263 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001677566783 1357357934 /nfs/dbraw/zinc/35/79/34/1357357934.db2.gz NRTKTFSLOUWLNR-CLTKARDFSA-N 2 2 348.878 2.263 10 0 EEAELP O=C(CCC[NH+]1CCCCC1)NCC1=CC[N@H+](Cc2ccon2)CC1 ZINC001677632216 1357378133 /nfs/dbraw/zinc/37/81/33/1357378133.db2.gz IMCZJXUQTBGMBY-UHFFFAOYSA-N 2 2 346.475 2.189 10 0 EEAELP O=C(CCC[NH+]1CCCCC1)NCC1=CC[N@@H+](Cc2ccon2)CC1 ZINC001677632216 1357378138 /nfs/dbraw/zinc/37/81/38/1357378138.db2.gz IMCZJXUQTBGMBY-UHFFFAOYSA-N 2 2 346.475 2.189 10 0 EEAELP CCNc1cc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc[nH+]1 ZINC001646951378 1353067712 /nfs/dbraw/zinc/06/77/12/1353067712.db2.gz WIBXNPIMXLRMIV-INIZCTEOSA-N 2 2 331.464 2.283 10 0 EEAELP CCNc1cc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC001650536208 1353978373 /nfs/dbraw/zinc/97/83/73/1353978373.db2.gz NWYBISMVSZAJOM-GJZGRUSLSA-N 2 2 333.480 2.433 10 0 EEAELP CCNc1cc(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC001650536208 1353978376 /nfs/dbraw/zinc/97/83/76/1353978376.db2.gz NWYBISMVSZAJOM-GJZGRUSLSA-N 2 2 333.480 2.433 10 0 EEAELP Cc1nocc1C[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001656112688 1354204299 /nfs/dbraw/zinc/20/42/99/1354204299.db2.gz ICHQUFSJOQVMHV-SFHVURJKSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1nocc1C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001656112688 1354204303 /nfs/dbraw/zinc/20/43/03/1354204303.db2.gz ICHQUFSJOQVMHV-SFHVURJKSA-N 2 2 348.491 2.282 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001656899501 1354296537 /nfs/dbraw/zinc/29/65/37/1354296537.db2.gz PVJLCXWSJVSOGZ-BZUAXINKSA-N 2 2 336.455 2.244 10 0 EEAELP COCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001656908468 1354298432 /nfs/dbraw/zinc/29/84/32/1354298432.db2.gz HUTMMEFSNWXVSG-OAHLLOKOSA-N 2 2 336.480 2.085 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC1CCCC1 ZINC001660550786 1354488206 /nfs/dbraw/zinc/48/82/06/1354488206.db2.gz OQUPFHGUOBMMNJ-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC1CCCC1 ZINC001660550786 1354488209 /nfs/dbraw/zinc/48/82/09/1354488209.db2.gz OQUPFHGUOBMMNJ-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](C/C=C/Cl)C1CC1 ZINC001660722611 1354525073 /nfs/dbraw/zinc/52/50/73/1354525073.db2.gz LBSDWSBNWZFTQL-LLXYOUJPSA-N 2 2 336.867 2.247 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](C/C=C/Cl)C1CC1 ZINC001660722611 1354525077 /nfs/dbraw/zinc/52/50/77/1354525077.db2.gz LBSDWSBNWZFTQL-LLXYOUJPSA-N 2 2 336.867 2.247 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC001661963876 1354729576 /nfs/dbraw/zinc/72/95/76/1354729576.db2.gz MQAALWOLOLNWHW-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001662052538 1354745835 /nfs/dbraw/zinc/74/58/35/1354745835.db2.gz OOYDRJXARBPWCF-MXKPLDIFSA-N 2 2 342.487 2.238 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001662052538 1354745842 /nfs/dbraw/zinc/74/58/42/1354745842.db2.gz OOYDRJXARBPWCF-MXKPLDIFSA-N 2 2 342.487 2.238 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001662701460 1354828243 /nfs/dbraw/zinc/82/82/43/1354828243.db2.gz OXNZIDAGUBROOZ-SFHVURJKSA-N 2 2 340.471 2.332 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CC[C@H]1CC1(Cl)Cl ZINC001663447643 1354963210 /nfs/dbraw/zinc/96/32/10/1354963210.db2.gz SHLQGGIHZLPOMV-LBPRGKRZSA-N 2 2 347.290 2.283 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)CC[C@H]1CC1(Cl)Cl ZINC001663447643 1354963213 /nfs/dbraw/zinc/96/32/13/1354963213.db2.gz SHLQGGIHZLPOMV-LBPRGKRZSA-N 2 2 347.290 2.283 10 0 EEAELP CN(CC[NH2+]CCc1ccc(Cl)cc1)C(=O)CCc1[nH+]ccn1C ZINC001664089839 1355089839 /nfs/dbraw/zinc/08/98/39/1355089839.db2.gz IAIPEVVVWBOASN-UHFFFAOYSA-N 2 2 348.878 2.297 10 0 EEAELP CC(C)Cc1ccc(C[NH2+]CCN(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001664268189 1355126017 /nfs/dbraw/zinc/12/60/17/1355126017.db2.gz JKEYZAJQOCKBOD-UHFFFAOYSA-N 2 2 328.460 2.399 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC1CC1 ZINC001664510340 1355181256 /nfs/dbraw/zinc/18/12/56/1355181256.db2.gz FFUDIOLAUWSKKQ-SFHVURJKSA-N 2 2 347.507 2.417 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC1CC1 ZINC001664510340 1355181258 /nfs/dbraw/zinc/18/12/58/1355181258.db2.gz FFUDIOLAUWSKKQ-SFHVURJKSA-N 2 2 347.507 2.417 10 0 EEAELP CC(C)[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)CC1CC1 ZINC001664510340 1355181259 /nfs/dbraw/zinc/18/12/59/1355181259.db2.gz FFUDIOLAUWSKKQ-SFHVURJKSA-N 2 2 347.507 2.417 10 0 EEAELP CC(C)[NH+](CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)CC1CC1 ZINC001664510340 1355181260 /nfs/dbraw/zinc/18/12/60/1355181260.db2.gz FFUDIOLAUWSKKQ-SFHVURJKSA-N 2 2 347.507 2.417 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001665721493 1355372428 /nfs/dbraw/zinc/37/24/28/1355372428.db2.gz SONZKWNQQXWYLS-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP CCOCC[N@H+]1CC[C@H](N(CC)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001665721493 1355372435 /nfs/dbraw/zinc/37/24/35/1355372435.db2.gz SONZKWNQQXWYLS-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCC(CC[NH2+]Cc2ccon2)CC1 ZINC001666262947 1355499015 /nfs/dbraw/zinc/49/90/15/1355499015.db2.gz AMNJXZHUPRFTBZ-UHFFFAOYSA-N 2 2 345.447 2.070 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001667290575 1355700084 /nfs/dbraw/zinc/70/00/84/1355700084.db2.gz LZFQSQGRWYYEGL-IAGOWNOFSA-N 2 2 348.491 2.128 10 0 EEAELP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001667729805 1355799539 /nfs/dbraw/zinc/79/95/39/1355799539.db2.gz UGLNAFGNIVQONS-WBVHZDCISA-N 2 2 332.492 2.437 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001667752821 1355807345 /nfs/dbraw/zinc/80/73/45/1355807345.db2.gz VQBUZPSJFWZYSB-AEFFLSMTSA-N 2 2 348.491 2.034 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001668117984 1355875651 /nfs/dbraw/zinc/87/56/51/1355875651.db2.gz OQCFHZZOBYMSJE-WMZOPIPTSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@H](CC[NH2+]Cc1cc(F)ccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001668223867 1355902471 /nfs/dbraw/zinc/90/24/71/1355902471.db2.gz HNVYNXCEXQCSGN-LLVKDONJSA-N 2 2 338.814 2.429 10 0 EEAELP C[C@@H](CC[NH2+]CC(F)(F)C(F)F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001668253485 1355909031 /nfs/dbraw/zinc/90/90/31/1355909031.db2.gz BQEHOBMXLRZQOY-LBPRGKRZSA-N 2 2 341.393 2.103 10 0 EEAELP C[C@H](CC[NH2+]Cc1cc2ccccc2o1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001668258379 1355910127 /nfs/dbraw/zinc/91/01/27/1355910127.db2.gz KIZUFIIQLNJSSS-CYBMUJFWSA-N 2 2 326.400 2.383 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001668893418 1356037686 /nfs/dbraw/zinc/03/76/86/1356037686.db2.gz MXDCWMVBWRFGAM-WZHGYECESA-N 2 2 342.487 2.288 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)c1ccc(F)c(F)c1 ZINC001670291566 1356312686 /nfs/dbraw/zinc/31/26/86/1356312686.db2.gz PWQVNLZWYPNCNW-GFCCVEGCSA-N 2 2 336.386 2.430 10 0 EEAELP CN(CCC[NH2+][C@H]1CCCc2ccccc21)C(=O)Cc1c[nH+]cn1C ZINC001670312759 1356317230 /nfs/dbraw/zinc/31/72/30/1356317230.db2.gz NKPFOZDBPCSTSU-IBGZPJMESA-N 2 2 340.471 2.478 10 0 EEAELP O=C(C=C1CCCCC1)NCC[NH+]1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC001672451513 1356525459 /nfs/dbraw/zinc/52/54/59/1356525459.db2.gz LQMBPSVJLDKMNL-GOSISDBHSA-N 2 2 349.519 2.084 10 0 EEAELP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001674245620 1356806972 /nfs/dbraw/zinc/80/69/72/1356806972.db2.gz UIJFISPNTZDOJY-QWRGUYRKSA-N 2 2 333.263 2.021 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]CCCc2cccc(F)c2)C1 ZINC001674583737 1356861075 /nfs/dbraw/zinc/86/10/75/1356861075.db2.gz YLRYWKTWCQAVPC-UHFFFAOYSA-N 2 2 344.434 2.209 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CCCc1cccc(F)c1 ZINC001674781492 1356895739 /nfs/dbraw/zinc/89/57/39/1356895739.db2.gz XXNHCVDERPBLCT-HUUCEWRRSA-N 2 2 332.423 2.138 10 0 EEAELP C[C@H](CCC[NH2+]CC[C@@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001675936775 1357073326 /nfs/dbraw/zinc/07/33/26/1357073326.db2.gz SISOJDBQDQDHGM-HZPDHXFCSA-N 2 2 344.459 2.249 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1C(F)(F)F ZINC001691935070 1404966605 /nfs/dbraw/zinc/96/66/05/1404966605.db2.gz BEMONGFWIRMDAJ-JSGCOSHPSA-N 2 2 346.397 2.369 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001699685451 1405439328 /nfs/dbraw/zinc/43/93/28/1405439328.db2.gz SCKKPZLJCDHFPL-MSOLQXFVSA-N 2 2 348.491 2.155 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001699685451 1405439331 /nfs/dbraw/zinc/43/93/31/1405439331.db2.gz SCKKPZLJCDHFPL-MSOLQXFVSA-N 2 2 348.491 2.155 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001699828205 1405513498 /nfs/dbraw/zinc/51/34/98/1405513498.db2.gz ZSHKINQAXBGJNC-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001699828205 1405513501 /nfs/dbraw/zinc/51/35/01/1405513501.db2.gz ZSHKINQAXBGJNC-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001699828205 1405513509 /nfs/dbraw/zinc/51/35/09/1405513509.db2.gz ZSHKINQAXBGJNC-QGZVFWFLSA-N 2 2 338.883 2.157 10 0 EEAELP C[C@H](O)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000809602345 783243172 /nfs/dbraw/zinc/24/31/72/783243172.db2.gz WPEATEPWTFHSPI-AWEZNQCLSA-N 2 2 347.484 2.318 10 0 EEAELP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908415776 785395446 /nfs/dbraw/zinc/39/54/46/785395446.db2.gz YDDONYUKXKMCPH-QAPCUYQASA-N 2 2 341.459 2.160 10 0 EEAELP Cc1ncccc1/C=C/C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266994 787645613 /nfs/dbraw/zinc/64/56/13/787645613.db2.gz LKHZUUMBXZUDBM-OVKVCFKUSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1ncccc1/C=C/C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266994 787645619 /nfs/dbraw/zinc/64/56/19/787645619.db2.gz LKHZUUMBXZUDBM-OVKVCFKUSA-N 2 2 342.487 2.030 10 0 EEAELP CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000912683265 788294474 /nfs/dbraw/zinc/29/44/74/788294474.db2.gz HRBZNDAHUHKKHW-SFHVURJKSA-N 2 2 341.459 2.209 10 0 EEAELP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000912683265 788294478 /nfs/dbraw/zinc/29/44/78/788294478.db2.gz HRBZNDAHUHKKHW-SFHVURJKSA-N 2 2 341.459 2.209 10 0 EEAELP C[NH+]1C[C@@]2(C)CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC000913288242 788764128 /nfs/dbraw/zinc/76/41/28/788764128.db2.gz CBQZOXXLPOYTTP-PMACEKPBSA-N 2 2 338.455 2.345 10 0 EEAELP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000921523437 788837738 /nfs/dbraw/zinc/83/77/38/788837738.db2.gz ZTEMAHGKPHJUMT-UHFFFAOYSA-N 2 2 348.882 2.062 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000844188828 788893812 /nfs/dbraw/zinc/89/38/12/788893812.db2.gz YKOKBWFPPSTFPM-HNNXBMFYSA-N 2 2 343.393 2.056 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000844188828 788893822 /nfs/dbraw/zinc/89/38/22/788893822.db2.gz YKOKBWFPPSTFPM-HNNXBMFYSA-N 2 2 343.393 2.056 10 0 EEAELP CCON(C)C(=O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000846065979 790050569 /nfs/dbraw/zinc/05/05/69/790050569.db2.gz YWQHSRFYARCJFB-MRXNPFEDSA-N 2 2 333.476 2.082 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1sccc1Br ZINC000713034096 794552012 /nfs/dbraw/zinc/55/20/12/794552012.db2.gz FBJDEMLFGXNAFL-MNOVXSKESA-N 2 2 333.295 2.410 10 0 EEAELP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)nn1 ZINC000714854272 795168493 /nfs/dbraw/zinc/16/84/93/795168493.db2.gz IRHXXCKNGUWWCK-NZSAHSFTSA-N 2 2 325.460 2.298 10 0 EEAELP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)nn1 ZINC000714854272 795168498 /nfs/dbraw/zinc/16/84/98/795168498.db2.gz IRHXXCKNGUWWCK-NZSAHSFTSA-N 2 2 325.460 2.298 10 0 EEAELP Brc1cnc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cn1 ZINC001183345625 801578644 /nfs/dbraw/zinc/57/86/44/801578644.db2.gz MNMGUCBZXLSZJC-UHFFFAOYSA-N 2 2 345.204 2.110 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCc3c[nH]c[nH+]3)C2)o1 ZINC001436415754 1087771290 /nfs/dbraw/zinc/77/12/90/1087771290.db2.gz OHEAEFWIAYLNQK-LSDHHAIUSA-N 2 2 345.447 2.022 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCc3c[nH+]c[nH]3)C2)o1 ZINC001436415754 1087771295 /nfs/dbraw/zinc/77/12/95/1087771295.db2.gz OHEAEFWIAYLNQK-LSDHHAIUSA-N 2 2 345.447 2.022 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001436487229 1087980393 /nfs/dbraw/zinc/98/03/93/1087980393.db2.gz CZJULNVNZRUAET-CABCVRRESA-N 2 2 336.480 2.040 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001436487229 1087980409 /nfs/dbraw/zinc/98/04/09/1087980409.db2.gz CZJULNVNZRUAET-CABCVRRESA-N 2 2 336.480 2.040 10 0 EEAELP Cc1conc1C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001436487229 1087980429 /nfs/dbraw/zinc/98/04/29/1087980429.db2.gz CZJULNVNZRUAET-CABCVRRESA-N 2 2 336.480 2.040 10 0 EEAELP Cc1conc1C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001436487229 1087980444 /nfs/dbraw/zinc/98/04/44/1087980444.db2.gz CZJULNVNZRUAET-CABCVRRESA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)sn1 ZINC001436811650 1088399726 /nfs/dbraw/zinc/39/97/26/1088399726.db2.gz FSJNOFFGCBYJQT-BBRMVZONSA-N 2 2 347.488 2.284 10 0 EEAELP CCc1cnc(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C2CC2)o1 ZINC001436832554 1088450638 /nfs/dbraw/zinc/45/06/38/1088450638.db2.gz KPFYBNIOEMRUOK-IAGOWNOFSA-N 2 2 348.491 2.096 10 0 EEAELP CCc1cnc(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C2CC2)o1 ZINC001436832554 1088450648 /nfs/dbraw/zinc/45/06/48/1088450648.db2.gz KPFYBNIOEMRUOK-IAGOWNOFSA-N 2 2 348.491 2.096 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC001437061719 1088972790 /nfs/dbraw/zinc/97/27/90/1088972790.db2.gz YECDZQGDNUVMQW-HKUYNNGSSA-N 2 2 340.471 2.343 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC001437061719 1088972798 /nfs/dbraw/zinc/97/27/98/1088972798.db2.gz YECDZQGDNUVMQW-HKUYNNGSSA-N 2 2 340.471 2.343 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001437273107 1089424123 /nfs/dbraw/zinc/42/41/23/1089424123.db2.gz QLOTWSMJITXZSM-OAHLLOKOSA-N 2 2 328.460 2.475 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCc1ccccc1 ZINC001437387204 1089637918 /nfs/dbraw/zinc/63/79/18/1089637918.db2.gz BJWOBXOOKKDOIU-SJLPKXTDSA-N 2 2 340.471 2.173 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[C@@H](C)[NH2+]CC=C(Cl)Cl ZINC001437387824 1089641514 /nfs/dbraw/zinc/64/15/14/1089641514.db2.gz UNKBYMCBMNWVMK-LLVKDONJSA-N 2 2 346.258 2.436 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccc(C)cc1 ZINC001437596464 1090101105 /nfs/dbraw/zinc/10/11/05/1090101105.db2.gz HYIOCORKBVEPQX-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)Cc1ccc(C)cc1 ZINC001437596464 1090101107 /nfs/dbraw/zinc/10/11/07/1090101107.db2.gz HYIOCORKBVEPQX-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ccc(C)cc1 ZINC001437596464 1090101114 /nfs/dbraw/zinc/10/11/14/1090101114.db2.gz HYIOCORKBVEPQX-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)Cc1ccc(C)cc1 ZINC001437596464 1090101118 /nfs/dbraw/zinc/10/11/18/1090101118.db2.gz HYIOCORKBVEPQX-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001437729119 1090286262 /nfs/dbraw/zinc/28/62/62/1090286262.db2.gz JIFYNQGRNDVFKT-LSDHHAIUSA-N 2 2 345.447 2.023 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001437729119 1090286265 /nfs/dbraw/zinc/28/62/65/1090286265.db2.gz JIFYNQGRNDVFKT-LSDHHAIUSA-N 2 2 345.447 2.023 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1CCCC1 ZINC001437755902 1090324868 /nfs/dbraw/zinc/32/48/68/1090324868.db2.gz WPKGOWGJQZHOCO-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1CCCC1 ZINC001437755902 1090324873 /nfs/dbraw/zinc/32/48/73/1090324873.db2.gz WPKGOWGJQZHOCO-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](CCc1ccc(Cl)cc1)C1CC1 ZINC001437819963 1090413387 /nfs/dbraw/zinc/41/33/87/1090413387.db2.gz CVJCZJZFQNFCKP-UHFFFAOYSA-N 2 2 346.862 2.360 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](CCc1ccc(Cl)cc1)C1CC1 ZINC001437819963 1090413389 /nfs/dbraw/zinc/41/33/89/1090413389.db2.gz CVJCZJZFQNFCKP-UHFFFAOYSA-N 2 2 346.862 2.360 10 0 EEAELP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001437974015 1090565006 /nfs/dbraw/zinc/56/50/06/1090565006.db2.gz HZQLAKKTVHZKNY-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001437974015 1090565008 /nfs/dbraw/zinc/56/50/08/1090565008.db2.gz HZQLAKKTVHZKNY-SJORKVTESA-N 2 2 332.492 2.272 10 0 EEAELP C[C@@H](F)CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001438598003 1091087304 /nfs/dbraw/zinc/08/73/04/1091087304.db2.gz BPLGKNLPJWAZBI-CABCVRRESA-N 2 2 336.455 2.212 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)oc1C ZINC001445390997 1091135254 /nfs/dbraw/zinc/13/52/54/1091135254.db2.gz RTUSQBMCYUBDHB-DYVFJYSZSA-N 2 2 348.491 2.293 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)oc1C ZINC001445390997 1091135258 /nfs/dbraw/zinc/13/52/58/1091135258.db2.gz RTUSQBMCYUBDHB-DYVFJYSZSA-N 2 2 348.491 2.293 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001438663924 1091152100 /nfs/dbraw/zinc/15/21/00/1091152100.db2.gz AXYDPMSVECVAKG-LBPRGKRZSA-N 2 2 336.461 2.048 10 0 EEAELP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001438663923 1091152353 /nfs/dbraw/zinc/15/23/53/1091152353.db2.gz AXYDPMSVECVAKG-GFCCVEGCSA-N 2 2 336.461 2.048 10 0 EEAELP C[C@H](C[NH2+]C/C(Cl)=C\Cl)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001438688269 1091189228 /nfs/dbraw/zinc/18/92/28/1091189228.db2.gz IYZAHZIZLHWVKS-NIUAEAPJSA-N 2 2 345.274 2.279 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC001445568979 1091347564 /nfs/dbraw/zinc/34/75/64/1091347564.db2.gz HGJVKRITLFSVGF-IRXDYDNUSA-N 2 2 340.471 2.357 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]([NH2+]Cc2cncs2)C(C)C)c[nH+]1 ZINC001438805790 1091415123 /nfs/dbraw/zinc/41/51/23/1091415123.db2.gz HRCLVWJEHXFWAI-OAHLLOKOSA-N 2 2 349.504 2.314 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)Cc1c[nH+]cn1C ZINC001445647737 1091438203 /nfs/dbraw/zinc/43/82/03/1091438203.db2.gz PGSBDQPEEMGILE-NSHDSACASA-N 2 2 338.814 2.050 10 0 EEAELP CC(C)C[C@H](C(=O)N(C)CC[N@H+](C)Cc1cccnc1)n1cc[nH+]c1 ZINC001438887750 1091531411 /nfs/dbraw/zinc/53/14/11/1091531411.db2.gz QCZLPUZYMRANNV-GOSISDBHSA-N 2 2 343.475 2.456 10 0 EEAELP CC(C)C[C@H](C(=O)N(C)CC[N@@H+](C)Cc1cccnc1)n1cc[nH+]c1 ZINC001438887750 1091531419 /nfs/dbraw/zinc/53/14/19/1091531419.db2.gz QCZLPUZYMRANNV-GOSISDBHSA-N 2 2 343.475 2.456 10 0 EEAELP CN(CC[N@H+](C)CC[C@@H]1CCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001438938815 1091622362 /nfs/dbraw/zinc/62/23/62/1091622362.db2.gz BIPYEXGXCCNGPB-SFHVURJKSA-N 2 2 340.471 2.393 10 0 EEAELP CN(CC[N@@H+](C)CC[C@@H]1CCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001438938815 1091622364 /nfs/dbraw/zinc/62/23/64/1091622364.db2.gz BIPYEXGXCCNGPB-SFHVURJKSA-N 2 2 340.471 2.393 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC001438959287 1091652254 /nfs/dbraw/zinc/65/22/54/1091652254.db2.gz XEYQWLMZFASOLF-BBRMVZONSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC001438959287 1091652257 /nfs/dbraw/zinc/65/22/57/1091652257.db2.gz XEYQWLMZFASOLF-BBRMVZONSA-N 2 2 347.488 2.182 10 0 EEAELP CCN(CC[NH2+][C@H](C)c1cnc(C)cn1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001439078807 1091726700 /nfs/dbraw/zinc/72/67/00/1091726700.db2.gz HKDIQPFEVZPTMB-HZPDHXFCSA-N 2 2 344.463 2.132 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001439128061 1091773284 /nfs/dbraw/zinc/77/32/84/1091773284.db2.gz JNNFJEPJOPFJOY-WBVHZDCISA-N 2 2 326.444 2.048 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC001445996276 1091971898 /nfs/dbraw/zinc/97/18/98/1091971898.db2.gz ZOZGLKLBQMPQOI-TZMCWYRMSA-N 2 2 340.418 2.262 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001446071376 1092089669 /nfs/dbraw/zinc/08/96/69/1092089669.db2.gz OCURNSRFPLQWSA-INIZCTEOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001446071376 1092089677 /nfs/dbraw/zinc/08/96/77/1092089677.db2.gz OCURNSRFPLQWSA-INIZCTEOSA-N 2 2 348.491 2.186 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC001439553640 1092426271 /nfs/dbraw/zinc/42/62/71/1092426271.db2.gz QPTXXEHYGYGPGR-OAHLLOKOSA-N 2 2 325.403 2.266 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C(F)F)c1 ZINC001439553640 1092426277 /nfs/dbraw/zinc/42/62/77/1092426277.db2.gz QPTXXEHYGYGPGR-OAHLLOKOSA-N 2 2 325.403 2.266 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CC3CC(F)(F)C3)CC2)c[nH+]1 ZINC001439624721 1092536952 /nfs/dbraw/zinc/53/69/52/1092536952.db2.gz IMSYDMNGEAEABX-UHFFFAOYSA-N 2 2 340.418 2.210 10 0 EEAELP CC(C)C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCF)C2)C1)n1cc[nH+]c1 ZINC001439714005 1092673715 /nfs/dbraw/zinc/67/37/15/1092673715.db2.gz WUCQSOZNINOZGO-FUHWJXTLSA-N 2 2 336.455 2.364 10 0 EEAELP CC(C)C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](CCF)C2)C1)n1cc[nH+]c1 ZINC001439714005 1092673721 /nfs/dbraw/zinc/67/37/21/1092673721.db2.gz WUCQSOZNINOZGO-FUHWJXTLSA-N 2 2 336.455 2.364 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@@](C)(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001439850918 1092865994 /nfs/dbraw/zinc/86/59/94/1092865994.db2.gz NJNARDRCDAFWTL-FZKQIMNGSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@@](C)(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001439850918 1092866002 /nfs/dbraw/zinc/86/60/02/1092866002.db2.gz NJNARDRCDAFWTL-FZKQIMNGSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)on1 ZINC001439902491 1092965453 /nfs/dbraw/zinc/96/54/53/1092965453.db2.gz NITPITGRCCUJBX-GOSISDBHSA-N 2 2 345.447 2.012 10 0 EEAELP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCOCC1 ZINC001439957907 1093074475 /nfs/dbraw/zinc/07/44/75/1093074475.db2.gz UFFMHRVZLGONSK-HZPDHXFCSA-N 2 2 348.491 2.204 10 0 EEAELP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCOCC1 ZINC001439957907 1093074483 /nfs/dbraw/zinc/07/44/83/1093074483.db2.gz UFFMHRVZLGONSK-HZPDHXFCSA-N 2 2 348.491 2.204 10 0 EEAELP CCc1ccccc1C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CCC1 ZINC001440357718 1093516133 /nfs/dbraw/zinc/51/61/33/1093516133.db2.gz LMPAQGJJMZFLAG-UHFFFAOYSA-N 2 2 326.444 2.274 10 0 EEAELP COCC[N@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001448534525 1093570454 /nfs/dbraw/zinc/57/04/54/1093570454.db2.gz GUUIGLYIJUGQNT-QGZVFWFLSA-N 2 2 336.480 2.040 10 0 EEAELP COCC[N@@H+](C)C1CCN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001448534525 1093570456 /nfs/dbraw/zinc/57/04/56/1093570456.db2.gz GUUIGLYIJUGQNT-QGZVFWFLSA-N 2 2 336.480 2.040 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)CC1(C)C ZINC001440624809 1093893873 /nfs/dbraw/zinc/89/38/73/1093893873.db2.gz RSUXOFCFKWJZJF-MRXNPFEDSA-N 2 2 348.491 2.220 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ncc(C3CC3)o2)CC1(C)C ZINC001440624809 1093893878 /nfs/dbraw/zinc/89/38/78/1093893878.db2.gz RSUXOFCFKWJZJF-MRXNPFEDSA-N 2 2 348.491 2.220 10 0 EEAELP CC[C@H](F)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001440718644 1093961546 /nfs/dbraw/zinc/96/15/46/1093961546.db2.gz DVLYPEKQZWCKOG-KVSKMBFKSA-N 2 2 344.434 2.393 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC001440852045 1094111523 /nfs/dbraw/zinc/11/15/23/1094111523.db2.gz OGKUXFGPSGCADZ-RYUDHWBXSA-N 2 2 338.814 2.359 10 0 EEAELP CC[C@H](C)C[NH+]1CCN(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001441059535 1094352992 /nfs/dbraw/zinc/35/29/92/1094352992.db2.gz SFHJJPRXYXLCDX-HNNXBMFYSA-N 2 2 346.519 2.400 10 0 EEAELP C[C@@H]1C[C@H](C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)CCO1 ZINC001441106830 1094415709 /nfs/dbraw/zinc/41/57/09/1094415709.db2.gz FKBLVBDUIJGEKP-HZPDHXFCSA-N 2 2 348.491 2.176 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](CC/C=C/c2ccccc2)C1 ZINC001441225041 1094596827 /nfs/dbraw/zinc/59/68/27/1094596827.db2.gz LRKFVSVRJDYCEG-MPNRVQBSSA-N 2 2 338.455 2.423 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@H](CNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001441258748 1094659460 /nfs/dbraw/zinc/65/94/60/1094659460.db2.gz WDSYOZLCQUDGEJ-CXAGYDPISA-N 2 2 342.443 2.206 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C2)cc1C ZINC001441498566 1095180642 /nfs/dbraw/zinc/18/06/42/1095180642.db2.gz BILZBWSIFRBYFE-HDICACEKSA-N 2 2 326.444 2.327 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccccc1 ZINC001441565123 1095325299 /nfs/dbraw/zinc/32/52/99/1095325299.db2.gz VIMQEWTWWZXBND-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP COC[C@@H](C)[N@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001442102266 1096325591 /nfs/dbraw/zinc/32/55/91/1096325591.db2.gz FOMGPBMQZIPQOM-MRXNPFEDSA-N 2 2 346.475 2.460 10 0 EEAELP COC[C@@H](C)[N@@H+](C)CCN(C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001442102266 1096325594 /nfs/dbraw/zinc/32/55/94/1096325594.db2.gz FOMGPBMQZIPQOM-MRXNPFEDSA-N 2 2 346.475 2.460 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC1(C2CC[NH+](CCCF)CC2)CC1 ZINC001442269210 1096574470 /nfs/dbraw/zinc/57/44/70/1096574470.db2.gz RBNLODPOKWMROH-UHFFFAOYSA-N 2 2 336.455 2.073 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001442485002 1096820950 /nfs/dbraw/zinc/82/09/50/1096820950.db2.gz BUOAMXCCNLTNMG-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001442485002 1096820957 /nfs/dbraw/zinc/82/09/57/1096820957.db2.gz BUOAMXCCNLTNMG-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP C[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)CCC(C)(C)C ZINC001442485002 1096820964 /nfs/dbraw/zinc/82/09/64/1096820964.db2.gz BUOAMXCCNLTNMG-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP C[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)CCC(C)(C)C ZINC001442485002 1096820973 /nfs/dbraw/zinc/82/09/73/1096820973.db2.gz BUOAMXCCNLTNMG-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1ncoc1C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001442991104 1097410092 /nfs/dbraw/zinc/41/00/92/1097410092.db2.gz BTMJUNOTGSSLBH-UHFFFAOYSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncoc1C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001442991104 1097410096 /nfs/dbraw/zinc/41/00/96/1097410096.db2.gz BTMJUNOTGSSLBH-UHFFFAOYSA-N 2 2 348.491 2.328 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001443185028 1097626754 /nfs/dbraw/zinc/62/67/54/1097626754.db2.gz JASOHOZXNFOFIW-QGZVFWFLSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001443185028 1097626756 /nfs/dbraw/zinc/62/67/56/1097626756.db2.gz JASOHOZXNFOFIW-QGZVFWFLSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001443185028 1097626761 /nfs/dbraw/zinc/62/67/61/1097626761.db2.gz JASOHOZXNFOFIW-QGZVFWFLSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2cc(C)on2)C1 ZINC001443185028 1097626764 /nfs/dbraw/zinc/62/67/64/1097626764.db2.gz JASOHOZXNFOFIW-QGZVFWFLSA-N 2 2 336.480 2.136 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2conc2C)C1 ZINC001443866116 1098391823 /nfs/dbraw/zinc/39/18/23/1098391823.db2.gz REPHNRJREGNHDN-WMLDXEAASA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2conc2C)C1 ZINC001443866116 1098391827 /nfs/dbraw/zinc/39/18/27/1098391827.db2.gz REPHNRJREGNHDN-WMLDXEAASA-N 2 2 345.447 2.254 10 0 EEAELP CC[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCC(F)(F)F ZINC001443934939 1098454630 /nfs/dbraw/zinc/45/46/30/1098454630.db2.gz LDWJFCGSDUYZPY-LBPRGKRZSA-N 2 2 346.397 2.199 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(F)cn2)c[nH+]1 ZINC001444329212 1098893506 /nfs/dbraw/zinc/89/35/06/1098893506.db2.gz URMRNFBMXSOOEY-ZDUSSCGKSA-N 2 2 347.438 2.003 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc2ccc(F)cn2)c[nH+]1 ZINC001444329210 1098893640 /nfs/dbraw/zinc/89/36/40/1098893640.db2.gz URMRNFBMXSOOEY-CYBMUJFWSA-N 2 2 347.438 2.003 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc2c[nH+]cn2C)c1 ZINC001444395754 1098990150 /nfs/dbraw/zinc/99/01/50/1098990150.db2.gz YHVUNXNRLSDURV-LSDHHAIUSA-N 2 2 344.459 2.074 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001479906370 1099295718 /nfs/dbraw/zinc/29/57/18/1099295718.db2.gz 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O=C([C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)N1CC([NH+]2CCCC2)C1 ZINC001453117044 1105951016 /nfs/dbraw/zinc/95/10/16/1105951016.db2.gz CIJIYSYEOKKBCZ-IBGZPJMESA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)N1CC([NH+]2CCCC2)C1 ZINC001453117044 1105951022 /nfs/dbraw/zinc/95/10/22/1105951022.db2.gz CIJIYSYEOKKBCZ-IBGZPJMESA-N 2 2 345.462 2.487 10 0 EEAELP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001480599444 1106741335 /nfs/dbraw/zinc/74/13/35/1106741335.db2.gz HWCNRJMGQJGDAQ-KBXCAEBGSA-N 2 2 344.459 2.134 10 0 EEAELP CCCCC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001480646123 1106813761 /nfs/dbraw/zinc/81/37/61/1106813761.db2.gz OKAWXPFMSMTGQJ-MRXNPFEDSA-N 2 2 332.492 2.390 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@H+](C)CCOCC2CCC2)C1 ZINC001480741075 1107028362 /nfs/dbraw/zinc/02/83/62/1107028362.db2.gz KNWMWFHEBZXQCA-QGZVFWFLSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([N@@H+](C)CCOCC2CCC2)C1 ZINC001480741075 1107028376 /nfs/dbraw/zinc/02/83/76/1107028376.db2.gz KNWMWFHEBZXQCA-QGZVFWFLSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)CCOCC2CCC2)C1 ZINC001480741074 1107029705 /nfs/dbraw/zinc/02/97/05/1107029705.db2.gz KNWMWFHEBZXQCA-KRWDZBQOSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)CCOCC2CCC2)C1 ZINC001480741074 1107029720 /nfs/dbraw/zinc/02/97/20/1107029720.db2.gz KNWMWFHEBZXQCA-KRWDZBQOSA-N 2 2 348.491 2.000 10 0 EEAELP C[C@H](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCC(F)(F)F ZINC001480765190 1107068603 /nfs/dbraw/zinc/06/86/03/1107068603.db2.gz AQFINFNZTNFGSP-GFCCVEGCSA-N 2 2 346.397 2.199 10 0 EEAELP C[C@@H](C[NH2+]Cc1c(F)cccc1F)NC(=O)CCCn1cc[nH+]c1 ZINC001498204020 1107077524 /nfs/dbraw/zinc/07/75/24/1107077524.db2.gz RYMGHNRWJQPFCJ-ZDUSSCGKSA-N 2 2 336.386 2.236 10 0 EEAELP CCn1ccc(C[N@H+](CC)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001493027531 1107337001 /nfs/dbraw/zinc/33/70/01/1107337001.db2.gz HOIJGDPVNCHMSL-KRWDZBQOSA-N 2 2 349.523 2.106 10 0 EEAELP CCn1ccc(C[N@@H+](CC)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)n1 ZINC001493027531 1107337015 /nfs/dbraw/zinc/33/70/15/1107337015.db2.gz HOIJGDPVNCHMSL-KRWDZBQOSA-N 2 2 349.523 2.106 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)c1cccc2[nH+]ccn21 ZINC001498577341 1107752216 /nfs/dbraw/zinc/75/22/16/1107752216.db2.gz KITACPOBHVHFHF-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]Cc1ccccc1F ZINC001472115764 1110543931 /nfs/dbraw/zinc/54/39/31/1110543931.db2.gz NHJRTAVVPQKURE-RDJZCZTQSA-N 2 2 344.434 2.297 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCc1cccs1 ZINC001479253193 1110669029 /nfs/dbraw/zinc/66/90/29/1110669029.db2.gz PWSQWOBPRDBSOE-HOCLYGCPSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCc1cccs1 ZINC001479253193 1110669031 /nfs/dbraw/zinc/66/90/31/1110669031.db2.gz PWSQWOBPRDBSOE-HOCLYGCPSA-N 2 2 346.500 2.425 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC001499471546 1112302606 /nfs/dbraw/zinc/30/26/06/1112302606.db2.gz HYHALNMVOSBBKE-UHFFFAOYSA-N 2 2 336.798 2.114 10 0 EEAELP CCOCC[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501581253 1113389709 /nfs/dbraw/zinc/38/97/09/1113389709.db2.gz CIEVUKLQCVFXTO-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP Cc1nocc1C[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001502139035 1113612099 /nfs/dbraw/zinc/61/20/99/1113612099.db2.gz ZXHCNBCJLSHTSX-WMLDXEAASA-N 2 2 345.447 2.302 10 0 EEAELP Cc1nocc1C[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001502139035 1113612102 /nfs/dbraw/zinc/61/21/02/1113612102.db2.gz ZXHCNBCJLSHTSX-WMLDXEAASA-N 2 2 345.447 2.302 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)[C@H](C)[NH2+]CC3CCOCC3)ccn12 ZINC001505605797 1114081448 /nfs/dbraw/zinc/08/14/48/1114081448.db2.gz JKMRGXIHEXLCEC-LSDHHAIUSA-N 2 2 344.459 2.166 10 0 EEAELP Cc1cc(C)cc(OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001505719626 1114150095 /nfs/dbraw/zinc/15/00/95/1114150095.db2.gz FHTVJRFQZQQBOP-JKSUJKDBSA-N 2 2 344.459 2.131 10 0 EEAELP CO[C@@H](C[N@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001505946449 1114294191 /nfs/dbraw/zinc/29/41/91/1114294191.db2.gz NXSGBTTVAODSNL-UGSOOPFHSA-N 2 2 344.459 2.428 10 0 EEAELP CO[C@@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001505946449 1114294194 /nfs/dbraw/zinc/29/41/94/1114294194.db2.gz NXSGBTTVAODSNL-UGSOOPFHSA-N 2 2 344.459 2.428 10 0 EEAELP Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001505948991 1114295987 /nfs/dbraw/zinc/29/59/87/1114295987.db2.gz YSVKZPVCSUMNFX-DLBZAZTESA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001505948991 1114295988 /nfs/dbraw/zinc/29/59/88/1114295988.db2.gz YSVKZPVCSUMNFX-DLBZAZTESA-N 2 2 340.471 2.391 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]21 ZINC001506825262 1114897097 /nfs/dbraw/zinc/89/70/97/1114897097.db2.gz JVGRADDBJAIGHK-NNZMDNLPSA-N 2 2 338.455 2.063 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]21 ZINC001506825262 1114897098 /nfs/dbraw/zinc/89/70/98/1114897098.db2.gz JVGRADDBJAIGHK-NNZMDNLPSA-N 2 2 338.455 2.063 10 0 EEAELP CCCCC[NH2+][C@H](C)[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001506842895 1114906575 /nfs/dbraw/zinc/90/65/75/1114906575.db2.gz XURJAXOZIWMJBF-NVXWUHKLSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H](C[NH2+]Cc1cscn1)C1CC1)n1cc[nH+]c1 ZINC001507027825 1115065316 /nfs/dbraw/zinc/06/53/16/1115065316.db2.gz STWPRJGCQKRIGF-BBRMVZONSA-N 2 2 347.488 2.318 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001507092857 1115104343 /nfs/dbraw/zinc/10/43/43/1115104343.db2.gz QVAQWWNOXLMOJB-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1cccc(F)c1 ZINC001507146273 1115132332 /nfs/dbraw/zinc/13/23/32/1115132332.db2.gz BZJUVMLGBFJWDI-CYBMUJFWSA-N 2 2 332.423 2.463 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]CC1CCC(F)(F)CC1 ZINC001507163764 1115142841 /nfs/dbraw/zinc/14/28/41/1115142841.db2.gz NNSPSWWELBCYMW-ZDUSSCGKSA-N 2 2 328.407 2.145 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cscn1)CC2 ZINC001507353855 1115216792 /nfs/dbraw/zinc/21/67/92/1115216792.db2.gz ZUBGLNZCPKOMBI-NVXWUHKLSA-N 2 2 336.505 2.098 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cscn1)CC2 ZINC001507353855 1115216793 /nfs/dbraw/zinc/21/67/93/1115216793.db2.gz ZUBGLNZCPKOMBI-NVXWUHKLSA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2 ZINC001507353855 1115216794 /nfs/dbraw/zinc/21/67/94/1115216794.db2.gz ZUBGLNZCPKOMBI-NVXWUHKLSA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2 ZINC001507353855 1115216795 /nfs/dbraw/zinc/21/67/95/1115216795.db2.gz ZUBGLNZCPKOMBI-NVXWUHKLSA-N 2 2 336.505 2.098 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC001507374126 1115233218 /nfs/dbraw/zinc/23/32/18/1115233218.db2.gz ISVGNEFZQVLMNJ-RHSMWYFYSA-N 2 2 348.466 2.174 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1Cc1cncc(F)c1 ZINC001507374126 1115233220 /nfs/dbraw/zinc/23/32/20/1115233220.db2.gz ISVGNEFZQVLMNJ-RHSMWYFYSA-N 2 2 348.466 2.174 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(F)ccc1F ZINC001507381778 1115240905 /nfs/dbraw/zinc/24/09/05/1115240905.db2.gz JYGFXEPLEDQCKF-GUYCJALGSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(F)ccc1F ZINC001507381778 1115240906 /nfs/dbraw/zinc/24/09/06/1115240906.db2.gz JYGFXEPLEDQCKF-GUYCJALGSA-N 2 2 339.430 2.386 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)o1 ZINC001508028467 1115392751 /nfs/dbraw/zinc/39/27/51/1115392751.db2.gz OYMXRVNIUHFTAG-HUUCEWRRSA-N 2 2 336.480 2.260 10 0 EEAELP CC[C@H](C(=O)NC1(C[NH2+]CC(F)(F)C(F)F)CCCC1)[NH+](C)C ZINC001568000639 1124223245 /nfs/dbraw/zinc/22/32/45/1124223245.db2.gz ATGFGYQWOCGBMQ-LLVKDONJSA-N 2 2 341.393 2.246 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001569021355 1125047751 /nfs/dbraw/zinc/04/77/51/1125047751.db2.gz VFAXISZBMYXNBM-HUUCEWRRSA-N 2 2 332.423 2.310 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569211520 1125167712 /nfs/dbraw/zinc/16/77/12/1125167712.db2.gz FZVPIDYDOQBVAW-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001569211520 1125167714 /nfs/dbraw/zinc/16/77/14/1125167714.db2.gz FZVPIDYDOQBVAW-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166015282 539542651 /nfs/dbraw/zinc/54/26/51/539542651.db2.gz ZLZOFTYRPXGQDD-WOJBJXKFSA-N 3 2 329.488 2.235 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166015282 539542654 /nfs/dbraw/zinc/54/26/54/539542654.db2.gz ZLZOFTYRPXGQDD-WOJBJXKFSA-N 3 2 329.488 2.235 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cnc(NC(=O)NC(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272212 539992517 /nfs/dbraw/zinc/99/25/17/539992517.db2.gz NFRMVNWGXQPJJO-ZYHUDNBSSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cnc(NC(=O)NC(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272212 539992520 /nfs/dbraw/zinc/99/25/20/539992520.db2.gz NFRMVNWGXQPJJO-ZYHUDNBSSA-N 2 2 325.482 2.232 10 0 EEAELP c1ccc(N2CCC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000423091048 240360377 /nfs/dbraw/zinc/36/03/77/240360377.db2.gz ZBNNTZXCVKAOEH-LSTHTHJFSA-N 2 2 329.488 2.260 10 0 EEAELP CN(C)c1nc(N(C)C[C@H](c2cccs2)[NH+]2CCOCC2)cc[nH+]1 ZINC000072293778 216129939 /nfs/dbraw/zinc/12/99/39/216129939.db2.gz AOBPDWQNDVLDTJ-CQSZACIVSA-N 2 2 347.488 2.114 10 0 EEAELP COC(=O)[C@@H](CC(C)C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000351718863 291243802 /nfs/dbraw/zinc/24/38/02/291243802.db2.gz KGHXKFIIOKIVOB-GOSISDBHSA-N 2 2 339.524 2.065 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000422838493 240255494 /nfs/dbraw/zinc/25/54/94/240255494.db2.gz OOFXZIIXGORMDB-RZXSNQJFSA-N 3 2 343.515 2.396 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000422838493 240255499 /nfs/dbraw/zinc/25/54/99/240255499.db2.gz OOFXZIIXGORMDB-RZXSNQJFSA-N 3 2 343.515 2.396 10 0 EEAELP Fc1ccc(-c2nc(CC[NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)co2)cc1 ZINC000422933972 240295376 /nfs/dbraw/zinc/29/53/76/240295376.db2.gz BVBNZDPEBLPUOC-ROUUACIJSA-N 2 2 345.418 2.380 10 0 EEAELP C[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1nc(-c2ccccc2)no1 ZINC000423011946 240328907 /nfs/dbraw/zinc/32/89/07/240328907.db2.gz JROHXDPUMWVERC-KBRIMQKVSA-N 2 2 342.443 2.197 10 0 EEAELP COc1cc(Br)ccc1C[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423062410 240345222 /nfs/dbraw/zinc/34/52/22/240345222.db2.gz MYARUEYHEKWFHO-FZMZJTMJSA-N 2 2 343.265 2.314 10 0 EEAELP Nc1nc(NCc2c[nH]nc2-c2ccccc2)cc(C2CC([NH3+])C2)[nH+]1 ZINC000220383320 241441531 /nfs/dbraw/zinc/44/15/31/241441531.db2.gz JRZCCVNYHAETJX-UHFFFAOYSA-N 2 2 335.415 2.266 10 0 EEAELP FC(F)C1CCC([NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)CC1 ZINC000459703905 245216505 /nfs/dbraw/zinc/21/65/05/245216505.db2.gz FSGMBTITEKAAAH-UHFFFAOYSA-N 2 2 345.478 2.197 10 0 EEAELP FC(F)C1CCC([NH2+]C2CC[NH+](CCN3CCOCC3)CC2)CC1 ZINC000459703905 245216507 /nfs/dbraw/zinc/21/65/07/245216507.db2.gz FSGMBTITEKAAAH-UHFFFAOYSA-N 2 2 345.478 2.197 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000081095762 217361001 /nfs/dbraw/zinc/36/10/01/217361001.db2.gz ZXCFJXDSCIDYHP-KDOFPFPSSA-N 2 2 346.475 2.246 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000081095762 217361004 /nfs/dbraw/zinc/36/10/04/217361004.db2.gz ZXCFJXDSCIDYHP-KDOFPFPSSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000081095762 217361007 /nfs/dbraw/zinc/36/10/07/217361007.db2.gz ZXCFJXDSCIDYHP-KDOFPFPSSA-N 2 2 346.475 2.246 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000081095762 217361010 /nfs/dbraw/zinc/36/10/10/217361010.db2.gz ZXCFJXDSCIDYHP-KDOFPFPSSA-N 2 2 346.475 2.246 10 0 EEAELP COC(=O)c1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000093146549 218198424 /nfs/dbraw/zinc/19/84/24/218198424.db2.gz WJJXQXBXXKUCSL-SFHVURJKSA-N 2 2 345.487 2.075 10 0 EEAELP COC(=O)c1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093146549 218198427 /nfs/dbraw/zinc/19/84/27/218198427.db2.gz WJJXQXBXXKUCSL-SFHVURJKSA-N 2 2 345.487 2.075 10 0 EEAELP COc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1OC ZINC000093147559 218198602 /nfs/dbraw/zinc/19/86/02/218198602.db2.gz XTXZEPMRIMMQBC-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP COc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1OC ZINC000093147559 218198604 /nfs/dbraw/zinc/19/86/04/218198604.db2.gz XTXZEPMRIMMQBC-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172749394 284786719 /nfs/dbraw/zinc/78/67/19/284786719.db2.gz XFDLWPKRSBIVMX-OALUTQOASA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000268869455 252318633 /nfs/dbraw/zinc/31/86/33/252318633.db2.gz FYVYQPVMMSPVJZ-HOCLYGCPSA-N 2 2 341.446 2.445 10 0 EEAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000268869455 252318636 /nfs/dbraw/zinc/31/86/36/252318636.db2.gz FYVYQPVMMSPVJZ-HOCLYGCPSA-N 2 2 341.446 2.445 10 0 EEAELP Cc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)nc(-c2ccccn2)n1 ZINC000267211562 256038332 /nfs/dbraw/zinc/03/83/32/256038332.db2.gz QSTVXMLRLRXJQE-UHFFFAOYSA-N 2 2 340.475 2.285 10 0 EEAELP Cc1cc(NC(=O)N2CC[NH+](C[C@@H](O)c3ccccc3)CC2)cc[nH+]1 ZINC000119719504 221385220 /nfs/dbraw/zinc/38/52/20/221385220.db2.gz STZRPAZDFIZIOF-GOSISDBHSA-N 2 2 340.427 2.273 10 0 EEAELP CCS(=O)(=O)CCCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000190525966 152207778 /nfs/dbraw/zinc/20/77/78/152207778.db2.gz VQGLXOLFOSIBRP-UHFFFAOYSA-N 2 2 341.521 2.280 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[N@@H+]1C ZINC000123713399 292283624 /nfs/dbraw/zinc/28/36/24/292283624.db2.gz FYKRQURUEOIUMB-HOCLYGCPSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[N@H+]1C ZINC000123713399 292283626 /nfs/dbraw/zinc/28/36/26/292283626.db2.gz FYKRQURUEOIUMB-HOCLYGCPSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[NH+]1C ZINC000123713399 292283627 /nfs/dbraw/zinc/28/36/27/292283627.db2.gz FYKRQURUEOIUMB-HOCLYGCPSA-N 2 2 333.480 2.351 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)Nc2ccnn2C2CCCC2)CC[NH+]1C ZINC000123713399 292283628 /nfs/dbraw/zinc/28/36/28/292283628.db2.gz FYKRQURUEOIUMB-HOCLYGCPSA-N 2 2 333.480 2.351 10 0 EEAELP O=c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)nc2ccc(Cl)cn12 ZINC000374208032 154003522 /nfs/dbraw/zinc/00/35/22/154003522.db2.gz KRJDWGXXFXZYJZ-UHFFFAOYSA-N 2 2 343.818 2.451 10 0 EEAELP C[C@H](CC1CC1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074205350 159061854 /nfs/dbraw/zinc/06/18/54/159061854.db2.gz OUFUXSAJLXRMLX-MRXNPFEDSA-N 2 2 336.524 2.425 10 0 EEAELP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186359331 160068172 /nfs/dbraw/zinc/06/81/72/160068172.db2.gz HFARXNVJEMDSGZ-QGZVFWFLSA-N 2 2 345.491 2.035 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186359331 160068173 /nfs/dbraw/zinc/06/81/73/160068173.db2.gz HFARXNVJEMDSGZ-QGZVFWFLSA-N 2 2 345.491 2.035 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000186512192 160073544 /nfs/dbraw/zinc/07/35/44/160073544.db2.gz AMUYKRABKMUKCZ-UHFFFAOYSA-N 2 2 338.455 2.496 10 0 EEAELP CN(C)c1noc(C2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000191908903 160163922 /nfs/dbraw/zinc/16/39/22/160163922.db2.gz MLSBCNSKVSXTDD-UHFFFAOYSA-N 2 2 326.404 2.163 10 0 EEAELP CCOc1ccccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247128782 160311399 /nfs/dbraw/zinc/31/13/99/160311399.db2.gz AQQQSJRYRUONCA-DOTOQJQBSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccccc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247128782 160311400 /nfs/dbraw/zinc/31/14/00/160311400.db2.gz AQQQSJRYRUONCA-DOTOQJQBSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247128782 160311401 /nfs/dbraw/zinc/31/14/01/160311401.db2.gz AQQQSJRYRUONCA-DOTOQJQBSA-N 2 2 331.460 2.440 10 0 EEAELP CCOc1ccccc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247128782 160311402 /nfs/dbraw/zinc/31/14/02/160311402.db2.gz AQQQSJRYRUONCA-DOTOQJQBSA-N 2 2 331.460 2.440 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@H]1c1ccccc1 ZINC000248037157 160337317 /nfs/dbraw/zinc/33/73/17/160337317.db2.gz LMJJLZUBONAHSL-IEBWSBKVSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@H]1c1ccccc1 ZINC000248037157 160337318 /nfs/dbraw/zinc/33/73/18/160337318.db2.gz LMJJLZUBONAHSL-IEBWSBKVSA-N 2 2 347.422 2.443 10 0 EEAELP C[C@@H]1[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC(=O)N1Cc1ccccc1 ZINC000343559697 161146557 /nfs/dbraw/zinc/14/65/57/161146557.db2.gz YFPUPOVBBJAPDD-JHDROBOHSA-N 2 2 327.472 2.391 10 0 EEAELP C[C@@H]1[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC(=O)N1Cc1ccccc1 ZINC000343559697 161146558 /nfs/dbraw/zinc/14/65/58/161146558.db2.gz YFPUPOVBBJAPDD-JHDROBOHSA-N 2 2 327.472 2.391 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@H]2Cc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000358881960 164008160 /nfs/dbraw/zinc/00/81/60/164008160.db2.gz FADFGEKYSNWNQU-IBGZPJMESA-N 2 2 341.499 2.393 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000358962071 164024211 /nfs/dbraw/zinc/02/42/11/164024211.db2.gz XPIFJSJOPODEOB-SJLPKXTDSA-N 2 2 330.476 2.161 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000358962071 164024213 /nfs/dbraw/zinc/02/42/13/164024213.db2.gz XPIFJSJOPODEOB-SJLPKXTDSA-N 2 2 330.476 2.161 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000278309618 269222701 /nfs/dbraw/zinc/22/27/01/269222701.db2.gz BERQDWHZQBOMHM-HOCLYGCPSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000278309618 269222703 /nfs/dbraw/zinc/22/27/03/269222703.db2.gz BERQDWHZQBOMHM-HOCLYGCPSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000278309618 269222704 /nfs/dbraw/zinc/22/27/04/269222704.db2.gz BERQDWHZQBOMHM-HOCLYGCPSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000278309618 269222706 /nfs/dbraw/zinc/22/27/06/269222706.db2.gz BERQDWHZQBOMHM-HOCLYGCPSA-N 2 2 332.444 2.445 10 0 EEAELP COC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)c1ccccc1 ZINC000271830582 274155823 /nfs/dbraw/zinc/15/58/23/274155823.db2.gz QQOILSWBFUWMIS-SFHVURJKSA-N 2 2 334.460 2.381 10 0 EEAELP CCCN(CC[NH+]1CCCC1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000287606811 274975917 /nfs/dbraw/zinc/97/59/17/274975917.db2.gz YNZAOFAHQPAIEE-UHFFFAOYSA-N 2 2 327.432 2.215 10 0 EEAELP C[N@@H+]1CCc2nc(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)sc2C1 ZINC000289302442 275108439 /nfs/dbraw/zinc/10/84/39/275108439.db2.gz CVQASKZJKYUYRG-MRXNPFEDSA-N 2 2 340.468 2.282 10 0 EEAELP C[N@H+]1CCc2nc(NC(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)sc2C1 ZINC000289302442 275108440 /nfs/dbraw/zinc/10/84/40/275108440.db2.gz CVQASKZJKYUYRG-MRXNPFEDSA-N 2 2 340.468 2.282 10 0 EEAELP C[NH+]1CCc2nc(NC(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)sc2C1 ZINC000289302442 275108441 /nfs/dbraw/zinc/10/84/41/275108441.db2.gz CVQASKZJKYUYRG-MRXNPFEDSA-N 2 2 340.468 2.282 10 0 EEAELP C[NH+]1CCc2nc(NC(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)sc2C1 ZINC000289302442 275108442 /nfs/dbraw/zinc/10/84/42/275108442.db2.gz CVQASKZJKYUYRG-MRXNPFEDSA-N 2 2 340.468 2.282 10 0 EEAELP CC(C)Oc1ccc([C@@H](CNC(=O)Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000291516473 275313122 /nfs/dbraw/zinc/31/31/22/275313122.db2.gz RDSSYGUXSKJALZ-QGZVFWFLSA-N 2 2 330.432 2.089 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292147908 275384282 /nfs/dbraw/zinc/38/42/82/275384282.db2.gz NESGUNSSVFAPSL-FUHIMQAGSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1)c1ccccc1 ZINC000292147908 275384283 /nfs/dbraw/zinc/38/42/83/275384283.db2.gz NESGUNSSVFAPSL-FUHIMQAGSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292147908 275384285 /nfs/dbraw/zinc/38/42/85/275384285.db2.gz NESGUNSSVFAPSL-FUHIMQAGSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1)c1ccccc1 ZINC000292147908 275384287 /nfs/dbraw/zinc/38/42/87/275384287.db2.gz NESGUNSSVFAPSL-FUHIMQAGSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642000 278190679 /nfs/dbraw/zinc/19/06/79/278190679.db2.gz GPWINVHGJQWJPW-CAOSSQGBSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642000 278190682 /nfs/dbraw/zinc/19/06/82/278190682.db2.gz GPWINVHGJQWJPW-CAOSSQGBSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193642000 278190684 /nfs/dbraw/zinc/19/06/84/278190684.db2.gz GPWINVHGJQWJPW-CAOSSQGBSA-N 2 2 333.501 2.294 10 0 EEAELP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193642000 278190686 /nfs/dbraw/zinc/19/06/86/278190686.db2.gz GPWINVHGJQWJPW-CAOSSQGBSA-N 2 2 333.501 2.294 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000333887823 312210088 /nfs/dbraw/zinc/21/00/88/312210088.db2.gz GGHYVJOQBOLXHM-UHFFFAOYSA-N 2 2 341.459 2.130 10 0 EEAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414905763 313111531 /nfs/dbraw/zinc/11/15/31/313111531.db2.gz OSILGTBQNUCRGV-LXTVHRRPSA-N 2 2 334.464 2.153 10 0 EEAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414905763 313111533 /nfs/dbraw/zinc/11/15/33/313111533.db2.gz OSILGTBQNUCRGV-LXTVHRRPSA-N 2 2 334.464 2.153 10 0 EEAELP C[NH2+]CCCNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000418276701 313771908 /nfs/dbraw/zinc/77/19/08/313771908.db2.gz GVWDXWXNZJMOBI-UHFFFAOYSA-N 2 2 338.883 2.085 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000418529636 313838222 /nfs/dbraw/zinc/83/82/22/313838222.db2.gz QDLKRRIHFIRPIB-ZIAGYGMSSA-N 2 2 338.883 2.466 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C2 ZINC000526007150 317104587 /nfs/dbraw/zinc/10/45/87/317104587.db2.gz KYCQNTNZLINOKO-LSDHHAIUSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C2 ZINC000526007150 317104590 /nfs/dbraw/zinc/10/45/90/317104590.db2.gz KYCQNTNZLINOKO-LSDHHAIUSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)CC2 ZINC000526007150 317104593 /nfs/dbraw/zinc/10/45/93/317104593.db2.gz KYCQNTNZLINOKO-LSDHHAIUSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000526007150 317104595 /nfs/dbraw/zinc/10/45/95/317104595.db2.gz KYCQNTNZLINOKO-LSDHHAIUSA-N 2 2 332.492 2.438 10 0 EEAELP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000563955528 319058870 /nfs/dbraw/zinc/05/88/70/319058870.db2.gz KDJBAACUUYZUGT-GXTWGEPZSA-N 2 2 337.414 2.186 10 0 EEAELP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000563955528 319058872 /nfs/dbraw/zinc/05/88/72/319058872.db2.gz KDJBAACUUYZUGT-GXTWGEPZSA-N 2 2 337.414 2.186 10 0 EEAELP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000564779836 319109167 /nfs/dbraw/zinc/10/91/67/319109167.db2.gz OKDMQDZMBWKYSU-QGZVFWFLSA-N 2 2 345.491 2.175 10 0 EEAELP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000564779836 319109169 /nfs/dbraw/zinc/10/91/69/319109169.db2.gz OKDMQDZMBWKYSU-QGZVFWFLSA-N 2 2 345.491 2.175 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000576451905 320172872 /nfs/dbraw/zinc/17/28/72/320172872.db2.gz PKTWLBOJBODEBZ-SIIHOXLZSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000576451905 320172874 /nfs/dbraw/zinc/17/28/74/320172874.db2.gz PKTWLBOJBODEBZ-SIIHOXLZSA-N 2 2 342.443 2.497 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577474021 320257136 /nfs/dbraw/zinc/25/71/36/320257136.db2.gz LPABQFLDAKZZGP-CVEARBPZSA-N 2 2 333.480 2.070 10 0 EEAELP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000580309139 324035852 /nfs/dbraw/zinc/03/58/52/324035852.db2.gz JBBKMERMQPZVPM-KRWDZBQOSA-N 2 2 335.411 2.102 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000581186403 324202659 /nfs/dbraw/zinc/20/26/59/324202659.db2.gz MOENEMNHPRBKPX-VQTJNVASSA-N 2 2 344.499 2.487 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCOC2(CCCC2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000581186403 324202663 /nfs/dbraw/zinc/20/26/63/324202663.db2.gz MOENEMNHPRBKPX-VQTJNVASSA-N 2 2 344.499 2.487 10 0 EEAELP Cc1nc(N(C)C)nc(NCc2ccc(C[NH+]3CCCC3)cc2)[nH+]1 ZINC000489531961 447862248 /nfs/dbraw/zinc/86/22/48/447862248.db2.gz HCBAYBUKYXGOPY-UHFFFAOYSA-N 2 2 326.448 2.454 10 0 EEAELP Cc1nc(NCc2ccc(C[NH+]3CCCC3)cc2)nc(N(C)C)[nH+]1 ZINC000489531961 447862251 /nfs/dbraw/zinc/86/22/51/447862251.db2.gz HCBAYBUKYXGOPY-UHFFFAOYSA-N 2 2 326.448 2.454 10 0 EEAELP CC[C@@H]1CN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC[C@@H]1[NH3+] ZINC000529366684 448842643 /nfs/dbraw/zinc/84/26/43/448842643.db2.gz KRSALXRXAOLNOD-CABCVRRESA-N 2 2 348.495 2.089 10 0 EEAELP CCC[N@@H+]1CC[C@H](CNc2cc(CCC(=O)OCC)[nH+]c(C)n2)C1 ZINC000601105717 449692764 /nfs/dbraw/zinc/69/27/64/449692764.db2.gz FCVZAHPGEVWQIM-OAHLLOKOSA-N 2 2 334.464 2.425 10 0 EEAELP CCC[N@H+]1CC[C@H](CNc2cc(CCC(=O)OCC)[nH+]c(C)n2)C1 ZINC000601105717 449692768 /nfs/dbraw/zinc/69/27/68/449692768.db2.gz FCVZAHPGEVWQIM-OAHLLOKOSA-N 2 2 334.464 2.425 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1CNc1nc2ccccc2n2c[nH+]cc12 ZINC000624249016 450762885 /nfs/dbraw/zinc/76/28/85/450762885.db2.gz OKPQZMRXGKRVBG-CQSZACIVSA-N 2 2 325.416 2.141 10 0 EEAELP C[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)CC1 ZINC000328637447 465083158 /nfs/dbraw/zinc/08/31/58/465083158.db2.gz OPYBYKBEARHNQD-GOSISDBHSA-N 2 2 331.508 2.063 10 0 EEAELP C[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2nc3c([nH]2)CCCC3)CC1 ZINC000328637447 465083162 /nfs/dbraw/zinc/08/31/62/465083162.db2.gz OPYBYKBEARHNQD-GOSISDBHSA-N 2 2 331.508 2.063 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+](C)[C@@H]3CCN(C4CC4)C3)c2cc1C ZINC000336892701 465085978 /nfs/dbraw/zinc/08/59/78/465085978.db2.gz SJQCZVGQHOTNEK-MSOLQXFVSA-N 2 2 342.487 2.183 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+](C)[C@@H]3CCN(C4CC4)C3)c2cc1C ZINC000336892701 465085982 /nfs/dbraw/zinc/08/59/82/465085982.db2.gz SJQCZVGQHOTNEK-MSOLQXFVSA-N 2 2 342.487 2.183 10 0 EEAELP OCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1F ZINC000341368859 465134738 /nfs/dbraw/zinc/13/47/38/465134738.db2.gz RJKCRGSAXXNYEE-UHFFFAOYSA-N 2 2 329.419 2.467 10 0 EEAELP C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000358520404 465171969 /nfs/dbraw/zinc/17/19/69/465171969.db2.gz HKPVDZUNJAXUSV-LSDHHAIUSA-N 2 2 333.480 2.059 10 0 EEAELP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC000339438742 465275386 /nfs/dbraw/zinc/27/53/86/465275386.db2.gz XTPDLHJQHZXWGM-HOCLYGCPSA-N 2 2 347.425 2.205 10 0 EEAELP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC000339438742 465275389 /nfs/dbraw/zinc/27/53/89/465275389.db2.gz XTPDLHJQHZXWGM-HOCLYGCPSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC000339438742 465275393 /nfs/dbraw/zinc/27/53/93/465275393.db2.gz XTPDLHJQHZXWGM-HOCLYGCPSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C2)C1 ZINC000339438742 465275396 /nfs/dbraw/zinc/27/53/96/465275396.db2.gz XTPDLHJQHZXWGM-HOCLYGCPSA-N 2 2 347.425 2.205 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000356204567 465299391 /nfs/dbraw/zinc/29/93/91/465299391.db2.gz KGTSHZKCYAHWNP-RBUKOAKNSA-N 2 2 344.503 2.210 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000356204567 465299394 /nfs/dbraw/zinc/29/93/94/465299394.db2.gz KGTSHZKCYAHWNP-RBUKOAKNSA-N 2 2 344.503 2.210 10 0 EEAELP CC[C@@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000339547422 465338974 /nfs/dbraw/zinc/33/89/74/465338974.db2.gz QGXLRKJQERUJDI-NSISKUIASA-N 2 2 332.488 2.200 10 0 EEAELP CC[C@@H]1C[C@H](C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCO1 ZINC000339547422 465338978 /nfs/dbraw/zinc/33/89/78/465338978.db2.gz QGXLRKJQERUJDI-NSISKUIASA-N 2 2 332.488 2.200 10 0 EEAELP C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119688933 462922508 /nfs/dbraw/zinc/92/25/08/462922508.db2.gz JJQSMCZYIKXGNM-JTUUTPGSSA-N 2 2 345.491 2.251 10 0 EEAELP C[C@@H](c1nc(C2CC2)no1)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119688933 462922511 /nfs/dbraw/zinc/92/25/11/462922511.db2.gz JJQSMCZYIKXGNM-JTUUTPGSSA-N 2 2 345.491 2.251 10 0 EEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCn2cc[nH+]c2C1 ZINC000156142359 462985443 /nfs/dbraw/zinc/98/54/43/462985443.db2.gz FBRBXJGFAQFTRU-KRWDZBQOSA-N 2 2 335.411 2.007 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000052520029 463084615 /nfs/dbraw/zinc/08/46/15/463084615.db2.gz SLWGWHHQFALNHI-XJKSGUPXSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000052520029 463084620 /nfs/dbraw/zinc/08/46/20/463084620.db2.gz SLWGWHHQFALNHI-XJKSGUPXSA-N 2 2 345.422 2.042 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCN(CC)CC2)CC1 ZINC000157422133 463130425 /nfs/dbraw/zinc/13/04/25/463130425.db2.gz HLLHFCYTJRKVIW-UHFFFAOYSA-N 2 2 330.520 2.356 10 0 EEAELP Cc1[nH+]c2ccccc2c(N2CC[NH+](CC(N)=O)CC2)c1C(C)C ZINC000096006394 463137641 /nfs/dbraw/zinc/13/76/41/463137641.db2.gz OUSITEPRLOASME-UHFFFAOYSA-N 2 2 326.444 2.274 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000157706723 463159807 /nfs/dbraw/zinc/15/98/07/463159807.db2.gz FNNZHBHKYLQZDH-GOEBONIOSA-N 2 2 349.523 2.150 10 0 EEAELP CC[NH+](CC)CCNC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000033070963 463410825 /nfs/dbraw/zinc/41/08/25/463410825.db2.gz WZQNSZTXQOKCHE-UHFFFAOYSA-N 2 2 343.475 2.237 10 0 EEAELP C[N@H+](C[C@H](O)c1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863447 463480432 /nfs/dbraw/zinc/48/04/32/463480432.db2.gz ARMQXPNFQNNVGD-IBGZPJMESA-N 2 2 346.450 2.152 10 0 EEAELP C[N@@H+](C[C@H](O)c1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863447 463480435 /nfs/dbraw/zinc/48/04/35/463480435.db2.gz ARMQXPNFQNNVGD-IBGZPJMESA-N 2 2 346.450 2.152 10 0 EEAELP CC1CCC([NH+]2CCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CC2)CC1 ZINC000081764205 463489963 /nfs/dbraw/zinc/48/99/63/463489963.db2.gz OOCDSVIVIADIMX-OFLPRAFFSA-N 2 2 330.476 2.483 10 0 EEAELP C[NH+]1CCC(CNC(=O)C(C2CC2)C2CC2)([NH+]2CCCCC2)CC1 ZINC000125501100 463551151 /nfs/dbraw/zinc/55/11/51/463551151.db2.gz LCHDZLAJQMPKDN-UHFFFAOYSA-N 2 2 333.520 2.489 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H]([NH+](C)C)C3)cn2c1 ZINC000170882405 463731054 /nfs/dbraw/zinc/73/10/54/463731054.db2.gz PWGMOPMNOLEEJS-OAHLLOKOSA-N 2 2 332.473 2.038 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000193812144 463743444 /nfs/dbraw/zinc/74/34/44/463743444.db2.gz FUJZJADIQYKVOD-INIZCTEOSA-N 2 2 326.868 2.244 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000268918901 463809066 /nfs/dbraw/zinc/80/90/66/463809066.db2.gz VYSPZEMWNGXWFV-SFHLNBCPSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000268918901 463809068 /nfs/dbraw/zinc/80/90/68/463809068.db2.gz VYSPZEMWNGXWFV-SFHLNBCPSA-N 3 2 344.547 2.123 10 0 EEAELP Cc1nc2ccc(C[N@@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2s1 ZINC000261943893 463907313 /nfs/dbraw/zinc/90/73/13/463907313.db2.gz NBKUNHILLDDPSK-OAHLLOKOSA-N 2 2 344.484 2.001 10 0 EEAELP Cc1nc2ccc(C[N@H+]3CCC[C@@H](N4CC[NH2+]CC4=O)C3)cc2s1 ZINC000261943893 463907317 /nfs/dbraw/zinc/90/73/17/463907317.db2.gz NBKUNHILLDDPSK-OAHLLOKOSA-N 2 2 344.484 2.001 10 0 EEAELP Cn1ccnc1[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CCOCC1 ZINC000284399611 464178749 /nfs/dbraw/zinc/17/87/49/464178749.db2.gz CAVXDMIJEIIENC-KRWDZBQOSA-N 2 2 325.416 2.325 10 0 EEAELP Cc1c(C[NH2+]C[C@@H]2CCC[N@H+](C3CC3)[C@H]2c2ccnn2C)cnn1C ZINC000284503208 464219136 /nfs/dbraw/zinc/21/91/36/464219136.db2.gz KOXIFLMVHYCBCR-HNAYVOBHSA-N 2 2 342.491 2.167 10 0 EEAELP Cc1c(C[NH2+]C[C@@H]2CCC[N@@H+](C3CC3)[C@H]2c2ccnn2C)cnn1C ZINC000284503208 464219142 /nfs/dbraw/zinc/21/91/42/464219142.db2.gz KOXIFLMVHYCBCR-HNAYVOBHSA-N 2 2 342.491 2.167 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000348154726 465453149 /nfs/dbraw/zinc/45/31/49/465453149.db2.gz BLWNHFUCLMUGSD-BLLLJJGKSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000348154726 465453154 /nfs/dbraw/zinc/45/31/54/465453154.db2.gz BLWNHFUCLMUGSD-BLLLJJGKSA-N 2 2 328.416 2.106 10 0 EEAELP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2=O)n(C)n1 ZINC000182358093 464635119 /nfs/dbraw/zinc/63/51/19/464635119.db2.gz SPULLVZBXULCQR-MRXNPFEDSA-N 2 2 347.507 2.076 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000190475329 464654139 /nfs/dbraw/zinc/65/41/39/464654139.db2.gz WTXFIYUJLSRZSE-SFHVURJKSA-N 2 2 338.455 2.134 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000190475329 464654145 /nfs/dbraw/zinc/65/41/45/464654145.db2.gz WTXFIYUJLSRZSE-SFHVURJKSA-N 2 2 338.455 2.134 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000190475329 464654150 /nfs/dbraw/zinc/65/41/50/464654150.db2.gz WTXFIYUJLSRZSE-SFHVURJKSA-N 2 2 338.455 2.134 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000190475329 464654155 /nfs/dbraw/zinc/65/41/55/464654155.db2.gz WTXFIYUJLSRZSE-SFHVURJKSA-N 2 2 338.455 2.134 10 0 EEAELP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183631083 464889737 /nfs/dbraw/zinc/88/97/37/464889737.db2.gz UINVCYHTDUYTKP-INIZCTEOSA-N 2 2 332.835 2.270 10 0 EEAELP CCc1nc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cs1 ZINC000348325680 465552040 /nfs/dbraw/zinc/55/20/40/465552040.db2.gz RFTUDAHYTTZWDH-LBPRGKRZSA-N 2 2 336.505 2.099 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366321510 465651778 /nfs/dbraw/zinc/65/17/78/465651778.db2.gz WNTLQBCVUGGOEF-UHFFFAOYSA-N 2 2 333.480 2.355 10 0 EEAELP c1nc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc(NCC2CC2)[nH+]1 ZINC000340015159 465690499 /nfs/dbraw/zinc/69/04/99/465690499.db2.gz ICJLOYTUCRVRAV-QGZVFWFLSA-N 2 2 345.491 2.380 10 0 EEAELP c1nc(NCC2CC2)cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000340015159 465690506 /nfs/dbraw/zinc/69/05/06/465690506.db2.gz ICJLOYTUCRVRAV-QGZVFWFLSA-N 2 2 345.491 2.380 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000362573464 465841599 /nfs/dbraw/zinc/84/15/99/465841599.db2.gz SSJXVDSLFVPEBK-KGLIPLIRSA-N 2 2 346.500 2.500 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000300689579 465892408 /nfs/dbraw/zinc/89/24/08/465892408.db2.gz HTFSPTXXWUIAEM-RYUDHWBXSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000300689579 465892415 /nfs/dbraw/zinc/89/24/15/465892415.db2.gz HTFSPTXXWUIAEM-RYUDHWBXSA-N 2 2 333.259 2.417 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000580074980 468462140 /nfs/dbraw/zinc/46/21/40/468462140.db2.gz PWLAWXJSWHYWRR-HIFRSBDPSA-N 2 2 336.480 2.286 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000580074980 468462142 /nfs/dbraw/zinc/46/21/42/468462142.db2.gz PWLAWXJSWHYWRR-HIFRSBDPSA-N 2 2 336.480 2.286 10 0 EEAELP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357328420 465953784 /nfs/dbraw/zinc/95/37/84/465953784.db2.gz AIKYZLVGMOPUKK-SFHVURJKSA-N 2 2 335.467 2.099 10 0 EEAELP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1 ZINC000357328420 465953792 /nfs/dbraw/zinc/95/37/92/465953792.db2.gz AIKYZLVGMOPUKK-SFHVURJKSA-N 2 2 335.467 2.099 10 0 EEAELP Brc1ccc2c(NC[C@@H]3C[NH+]4CCN3CC4)cc[nH+]c2c1 ZINC000301775852 466029200 /nfs/dbraw/zinc/02/92/00/466029200.db2.gz LFPJDNMVGSEGKV-CYBMUJFWSA-N 2 2 347.260 2.409 10 0 EEAELP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(C(F)(F)F)s1 ZINC000349323610 466066655 /nfs/dbraw/zinc/06/66/55/466066655.db2.gz AVAITJBCTFUDDF-UHFFFAOYSA-N 2 2 336.427 2.231 10 0 EEAELP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(C(F)(F)F)s1 ZINC000349323610 466066664 /nfs/dbraw/zinc/06/66/64/466066664.db2.gz AVAITJBCTFUDDF-UHFFFAOYSA-N 2 2 336.427 2.231 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000340465115 466108526 /nfs/dbraw/zinc/10/85/26/466108526.db2.gz QEBQKQQXLDCHAA-TZMCWYRMSA-N 2 2 342.281 2.073 10 0 EEAELP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000340465115 466108535 /nfs/dbraw/zinc/10/85/35/466108535.db2.gz QEBQKQQXLDCHAA-TZMCWYRMSA-N 2 2 342.281 2.073 10 0 EEAELP CCOC(=O)c1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000600175793 468485199 /nfs/dbraw/zinc/48/51/99/468485199.db2.gz ZDBBNIQBQJEWOZ-MRXNPFEDSA-N 2 2 331.460 2.470 10 0 EEAELP CCOC(=O)c1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000600175793 468485202 /nfs/dbraw/zinc/48/52/02/468485202.db2.gz ZDBBNIQBQJEWOZ-MRXNPFEDSA-N 2 2 331.460 2.470 10 0 EEAELP COc1cc(F)c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000361887371 466380281 /nfs/dbraw/zinc/38/02/81/466380281.db2.gz OKMHRCWSOPYLMD-ZIAGYGMSSA-N 2 2 340.439 2.462 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)CC(C)C ZINC000358004270 466381346 /nfs/dbraw/zinc/38/13/46/466381346.db2.gz OQUBRSBVEKFRNU-GJZGRUSLSA-N 2 2 335.496 2.323 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)CC(C)C ZINC000358004270 466381353 /nfs/dbraw/zinc/38/13/53/466381353.db2.gz OQUBRSBVEKFRNU-GJZGRUSLSA-N 2 2 335.496 2.323 10 0 EEAELP Cc1cnccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000350420884 466489706 /nfs/dbraw/zinc/48/97/06/466489706.db2.gz XXXHYIYTPUTTRA-UHFFFAOYSA-N 2 2 330.476 2.070 10 0 EEAELP COCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309895818 466504392 /nfs/dbraw/zinc/50/43/92/466504392.db2.gz DLINPSOQIORQGK-CVEARBPZSA-N 2 2 343.512 2.190 10 0 EEAELP COCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309895818 466504403 /nfs/dbraw/zinc/50/44/03/466504403.db2.gz DLINPSOQIORQGK-CVEARBPZSA-N 2 2 343.512 2.190 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)CCC2 ZINC000332685214 466550266 /nfs/dbraw/zinc/55/02/66/466550266.db2.gz MQAHRJMVJQUWHM-SJORKVTESA-N 2 2 345.491 2.339 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCCc2ccccc21 ZINC000324614402 466648880 /nfs/dbraw/zinc/64/88/80/466648880.db2.gz LVABHKVOXYPGHX-ROUUACIJSA-N 2 2 327.472 2.430 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCCc2ccccc21 ZINC000324614402 466648884 /nfs/dbraw/zinc/64/88/84/466648884.db2.gz LVABHKVOXYPGHX-ROUUACIJSA-N 2 2 327.472 2.430 10 0 EEAELP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)CCC2 ZINC000423240297 466702545 /nfs/dbraw/zinc/70/25/45/466702545.db2.gz CBCOJELZDGLDRW-ZWKOTPCHSA-N 2 2 345.468 2.001 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n(-c2ccccc2)n1 ZINC000657751127 471225964 /nfs/dbraw/zinc/22/59/64/471225964.db2.gz GBIHORKTWNLHCT-IBGZPJMESA-N 2 2 326.444 2.215 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@H]2CCC(F)(F)C2)([NH+]2CCCCC2)CC1 ZINC000365411519 466811023 /nfs/dbraw/zinc/81/10/23/466811023.db2.gz CPQIXBRAEXLODG-HNNXBMFYSA-N 2 2 343.462 2.488 10 0 EEAELP CC(C)n1cncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000424136405 466986623 /nfs/dbraw/zinc/98/66/23/466986623.db2.gz AOHZVMLYRDDPRR-QUCCMNQESA-N 2 2 342.487 2.437 10 0 EEAELP c1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(C[NH+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374107884 467002203 /nfs/dbraw/zinc/00/22/03/467002203.db2.gz MBGDPXNNPMRSTF-FGYAAKKASA-N 2 2 328.456 2.413 10 0 EEAELP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C[NH+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374107884 467002206 /nfs/dbraw/zinc/00/22/06/467002206.db2.gz MBGDPXNNPMRSTF-FGYAAKKASA-N 2 2 328.456 2.413 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000377244033 467048291 /nfs/dbraw/zinc/04/82/91/467048291.db2.gz SIEOCNAZXCLUIW-MAUKXSAKSA-N 2 2 341.459 2.408 10 0 EEAELP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366107631 467061211 /nfs/dbraw/zinc/06/12/11/467061211.db2.gz UYQVYNOXNPBEDQ-OAHLLOKOSA-N 2 2 333.480 2.030 10 0 EEAELP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366107631 467061213 /nfs/dbraw/zinc/06/12/13/467061213.db2.gz UYQVYNOXNPBEDQ-OAHLLOKOSA-N 2 2 333.480 2.030 10 0 EEAELP COCC(C)(C)[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000425512029 467102838 /nfs/dbraw/zinc/10/28/38/467102838.db2.gz XVSBAGBNVYFQRF-UHFFFAOYSA-N 2 2 342.487 2.474 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429042205 467296009 /nfs/dbraw/zinc/29/60/09/467296009.db2.gz QOBFPWXQUAHHIW-FQEVSTJZSA-N 2 2 345.487 2.071 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429042205 467296012 /nfs/dbraw/zinc/29/60/12/467296012.db2.gz QOBFPWXQUAHHIW-FQEVSTJZSA-N 2 2 345.487 2.071 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429042205 467296014 /nfs/dbraw/zinc/29/60/14/467296014.db2.gz QOBFPWXQUAHHIW-FQEVSTJZSA-N 2 2 345.487 2.071 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429042205 467296017 /nfs/dbraw/zinc/29/60/17/467296017.db2.gz QOBFPWXQUAHHIW-FQEVSTJZSA-N 2 2 345.487 2.071 10 0 EEAELP CC(C)n1ncnc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000434476162 467402971 /nfs/dbraw/zinc/40/29/71/467402971.db2.gz GIXBXJBCTSCCAB-UHFFFAOYSA-N 2 2 335.496 2.183 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cnn[nH]1)c1ccc(F)cc1 ZINC000453104231 467460955 /nfs/dbraw/zinc/46/09/55/467460955.db2.gz FFCLGKUYRRWNPT-YVEFUNNKSA-N 2 2 328.395 2.464 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000453104231 467460958 /nfs/dbraw/zinc/46/09/58/467460958.db2.gz FFCLGKUYRRWNPT-YVEFUNNKSA-N 2 2 328.395 2.464 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000453104231 467460962 /nfs/dbraw/zinc/46/09/62/467460962.db2.gz FFCLGKUYRRWNPT-YVEFUNNKSA-N 2 2 328.395 2.464 10 0 EEAELP Brc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc2c1OCCO2 ZINC000415063625 467479552 /nfs/dbraw/zinc/47/95/52/467479552.db2.gz AQQJHBLVESNQAO-GFCCVEGCSA-N 2 2 341.249 2.452 10 0 EEAELP COc1nccnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000449169054 467621948 /nfs/dbraw/zinc/62/19/48/467621948.db2.gz FQSYXBHVDDTCTH-DOTOQJQBSA-N 2 2 326.444 2.485 10 0 EEAELP COc1nccnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000449169054 467621949 /nfs/dbraw/zinc/62/19/49/467621949.db2.gz FQSYXBHVDDTCTH-DOTOQJQBSA-N 2 2 326.444 2.485 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449398585 467638502 /nfs/dbraw/zinc/63/85/02/467638502.db2.gz VTSQIZKDAARCBK-QGZVFWFLSA-N 2 2 328.460 2.024 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449398585 467638507 /nfs/dbraw/zinc/63/85/07/467638507.db2.gz VTSQIZKDAARCBK-QGZVFWFLSA-N 2 2 328.460 2.024 10 0 EEAELP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000458258155 467798212 /nfs/dbraw/zinc/79/82/12/467798212.db2.gz UBCWNBHARVEFHO-LBPRGKRZSA-N 2 2 347.385 2.071 10 0 EEAELP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000458258155 467798215 /nfs/dbraw/zinc/79/82/15/467798215.db2.gz UBCWNBHARVEFHO-LBPRGKRZSA-N 2 2 347.385 2.071 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(COC)on2)[C@H](C)C1 ZINC000459417804 467958007 /nfs/dbraw/zinc/95/80/07/467958007.db2.gz RXRVMDPXMKBPKN-RHSMWYFYSA-N 2 2 325.453 2.048 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(COC)on2)[C@H](C)C1 ZINC000459417804 467958010 /nfs/dbraw/zinc/95/80/10/467958010.db2.gz RXRVMDPXMKBPKN-RHSMWYFYSA-N 2 2 325.453 2.048 10 0 EEAELP COCC[N@H+](Cc1ccnn1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000489888348 468174606 /nfs/dbraw/zinc/17/46/06/468174606.db2.gz OWQUSTAYFYZIKH-UHFFFAOYSA-N 2 2 325.416 2.254 10 0 EEAELP COCC[N@@H+](Cc1ccnn1C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000489888348 468174611 /nfs/dbraw/zinc/17/46/11/468174611.db2.gz OWQUSTAYFYZIKH-UHFFFAOYSA-N 2 2 325.416 2.254 10 0 EEAELP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC000519708395 468197902 /nfs/dbraw/zinc/19/79/02/468197902.db2.gz XBADFVKAYDMLOF-ZBFHGGJFSA-N 2 2 328.416 2.016 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCC(c2ccccc2)=N1 ZINC000591867249 468535385 /nfs/dbraw/zinc/53/53/85/468535385.db2.gz NBIYJVSYNQPNPM-QGZVFWFLSA-N 2 2 337.427 2.157 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)N1CCC(c2ccccc2)=N1 ZINC000591867249 468535390 /nfs/dbraw/zinc/53/53/90/468535390.db2.gz NBIYJVSYNQPNPM-QGZVFWFLSA-N 2 2 337.427 2.157 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569794733 468543633 /nfs/dbraw/zinc/54/36/33/468543633.db2.gz DBDUXVGIDXGYMC-BFYDXBDKSA-N 2 2 345.491 2.106 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000570221820 468605812 /nfs/dbraw/zinc/60/58/12/468605812.db2.gz GQBFDVMOZRAJMU-NSHDSACASA-N 2 2 347.356 2.030 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000570221820 468605815 /nfs/dbraw/zinc/60/58/15/468605815.db2.gz GQBFDVMOZRAJMU-NSHDSACASA-N 2 2 347.356 2.030 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000583820689 468761605 /nfs/dbraw/zinc/76/16/05/468761605.db2.gz MUVWGNLMRDPULF-SJLPKXTDSA-N 2 2 338.455 2.403 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000583820689 468761607 /nfs/dbraw/zinc/76/16/07/468761607.db2.gz MUVWGNLMRDPULF-SJLPKXTDSA-N 2 2 338.455 2.403 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000561148555 468867851 /nfs/dbraw/zinc/86/78/51/468867851.db2.gz JNTFIPSZXYYJSA-IAGOWNOFSA-N 2 2 339.443 2.045 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000562668599 469028379 /nfs/dbraw/zinc/02/83/79/469028379.db2.gz UPUPFEDFBJITMC-WMZOPIPTSA-N 2 2 333.476 2.149 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000562668599 469028381 /nfs/dbraw/zinc/02/83/81/469028381.db2.gz UPUPFEDFBJITMC-WMZOPIPTSA-N 2 2 333.476 2.149 10 0 EEAELP COC(=O)c1oc([C@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000595906977 469075335 /nfs/dbraw/zinc/07/53/35/469075335.db2.gz POQALXZTJLRXBN-LSDHHAIUSA-N 2 2 338.448 2.478 10 0 EEAELP COC(=O)c1oc([C@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000595906977 469075341 /nfs/dbraw/zinc/07/53/41/469075341.db2.gz POQALXZTJLRXBN-LSDHHAIUSA-N 2 2 338.448 2.478 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000614863866 469076543 /nfs/dbraw/zinc/07/65/43/469076543.db2.gz DZGFJRXGXKNCNM-CXAGYDPISA-N 2 2 330.407 2.073 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000614863866 469076550 /nfs/dbraw/zinc/07/65/50/469076550.db2.gz DZGFJRXGXKNCNM-CXAGYDPISA-N 2 2 330.407 2.073 10 0 EEAELP O=C(CC[NH2+]C1CC1)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000573338750 469112044 /nfs/dbraw/zinc/11/20/44/469112044.db2.gz XFWXAMLTHOAJOB-AWEZNQCLSA-N 2 2 337.414 2.188 10 0 EEAELP O=C(CC[NH2+]C1CC1)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000573338750 469112048 /nfs/dbraw/zinc/11/20/48/469112048.db2.gz XFWXAMLTHOAJOB-AWEZNQCLSA-N 2 2 337.414 2.188 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000625858974 469413140 /nfs/dbraw/zinc/41/31/40/469413140.db2.gz YHMJNRVLJRKSAH-FHLIZLRMSA-N 2 2 346.475 2.342 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000617009082 469569891 /nfs/dbraw/zinc/56/98/91/469569891.db2.gz RUJPCDKCZOOKCF-QGZVFWFLSA-N 2 2 340.471 2.463 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000617009082 469569894 /nfs/dbraw/zinc/56/98/94/469569894.db2.gz RUJPCDKCZOOKCF-QGZVFWFLSA-N 2 2 340.471 2.463 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@@H]3CCCOC3)c2cc1C ZINC000629587108 469585814 /nfs/dbraw/zinc/58/58/14/469585814.db2.gz YFEWGBUAONEZBR-DLBZAZTESA-N 2 2 331.460 2.420 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1OC1CC1 ZINC000623427185 469654711 /nfs/dbraw/zinc/65/47/11/469654711.db2.gz PNKPXFZQONLJQC-OAHLLOKOSA-N 2 2 334.460 2.294 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)C3([NH+](C)C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000613313543 469685577 /nfs/dbraw/zinc/68/55/77/469685577.db2.gz OGBNMMXXAICXTB-ZWKOTPCHSA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)C3([NH+](C)C)CC3)CC[N@H+]2C2CC2)c1 ZINC000613313543 469685579 /nfs/dbraw/zinc/68/55/79/469685579.db2.gz OGBNMMXXAICXTB-ZWKOTPCHSA-N 2 2 343.471 2.183 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000623548513 469689799 /nfs/dbraw/zinc/68/97/99/469689799.db2.gz XKLQVSXGOAEUJC-QZTJIDSGSA-N 2 2 340.471 2.043 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1N1CCCCC1 ZINC000617764407 469795814 /nfs/dbraw/zinc/79/58/14/469795814.db2.gz VUVLIVOMRUWOBE-UHFFFAOYSA-N 2 2 346.519 2.290 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1N1CCCCC1 ZINC000617764407 469795819 /nfs/dbraw/zinc/79/58/19/469795819.db2.gz VUVLIVOMRUWOBE-UHFFFAOYSA-N 2 2 346.519 2.290 10 0 EEAELP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C(F)(F)F)o1 ZINC000617765270 469796039 /nfs/dbraw/zinc/79/60/39/469796039.db2.gz ZESCURKKJGDDFX-UHFFFAOYSA-N 2 2 335.370 2.220 10 0 EEAELP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C(F)(F)F)o1 ZINC000617765270 469796042 /nfs/dbraw/zinc/79/60/42/469796042.db2.gz ZESCURKKJGDDFX-UHFFFAOYSA-N 2 2 335.370 2.220 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2ccccc2cc1O ZINC000617768016 469799256 /nfs/dbraw/zinc/79/92/56/469799256.db2.gz MEGPYLPHMQFKIL-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2ccccc2cc1O ZINC000617768016 469799260 /nfs/dbraw/zinc/79/92/60/469799260.db2.gz MEGPYLPHMQFKIL-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP c1c[nH+]c(N2CCN(c3nc(N4Cc5ccccc5C4)cc[nH+]3)CC2)[nH]1 ZINC000624160329 469859544 /nfs/dbraw/zinc/85/95/44/469859544.db2.gz QCHIIZHBFNCCLL-UHFFFAOYSA-N 2 2 347.426 2.047 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624171897 469863811 /nfs/dbraw/zinc/86/38/11/469863811.db2.gz DUASALCZTWATFZ-UXLLHSPISA-N 2 2 332.492 2.238 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000624171897 469863815 /nfs/dbraw/zinc/86/38/15/469863815.db2.gz DUASALCZTWATFZ-UXLLHSPISA-N 2 2 332.492 2.238 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[N@@H+]1C ZINC000630529435 469889729 /nfs/dbraw/zinc/88/97/29/469889729.db2.gz UUVIGELRPZPEDJ-ZWKOTPCHSA-N 2 2 331.460 2.188 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC[N@H+]1C ZINC000630529435 469889734 /nfs/dbraw/zinc/88/97/34/469889734.db2.gz UUVIGELRPZPEDJ-ZWKOTPCHSA-N 2 2 331.460 2.188 10 0 EEAELP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)c1ccc2[nH+]ccn2c1 ZINC000620915455 469950482 /nfs/dbraw/zinc/95/04/82/469950482.db2.gz KYLUEFSAPSPZDV-INIZCTEOSA-N 2 2 342.443 2.050 10 0 EEAELP C[N@H+](CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)C1CCCCC1 ZINC000631043754 470055072 /nfs/dbraw/zinc/05/50/72/470055072.db2.gz YSTTVNQWJUSOQK-INIZCTEOSA-N 2 2 335.496 2.059 10 0 EEAELP C[N@@H+](CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)C1CCCCC1 ZINC000631043754 470055075 /nfs/dbraw/zinc/05/50/75/470055075.db2.gz YSTTVNQWJUSOQK-INIZCTEOSA-N 2 2 335.496 2.059 10 0 EEAELP C[N@H+](CC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@@H]1CCSC1 ZINC000628774956 470154643 /nfs/dbraw/zinc/15/46/43/470154643.db2.gz XPRAUHGOFCWEMX-GDBMZVCRSA-N 2 2 348.447 2.192 10 0 EEAELP C[N@@H+](CC(=O)N[C@@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)[C@@H]1CCSC1 ZINC000628774956 470154644 /nfs/dbraw/zinc/15/46/44/470154644.db2.gz XPRAUHGOFCWEMX-GDBMZVCRSA-N 2 2 348.447 2.192 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](C3CCC(C)CC3)CC1)CC2 ZINC000625661379 470168981 /nfs/dbraw/zinc/16/89/81/470168981.db2.gz SGLVCAYHNSCAAH-NXYGQSRBSA-N 2 2 344.503 2.477 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000631842448 470187121 /nfs/dbraw/zinc/18/71/21/470187121.db2.gz AMQLNNQDBLHONR-PWSUYJOCSA-N 2 2 341.249 2.247 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCCO3)C[C@@H]1C[NH3+] ZINC000631842448 470187122 /nfs/dbraw/zinc/18/71/22/470187122.db2.gz AMQLNNQDBLHONR-PWSUYJOCSA-N 2 2 341.249 2.247 10 0 EEAELP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCc2sccc2C1 ZINC000631885894 470189173 /nfs/dbraw/zinc/18/91/73/470189173.db2.gz CKIVUEIJODTHHE-GDBMZVCRSA-N 2 2 333.501 2.097 10 0 EEAELP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N1CCc2sccc2C1 ZINC000631885894 470189174 /nfs/dbraw/zinc/18/91/74/470189174.db2.gz CKIVUEIJODTHHE-GDBMZVCRSA-N 2 2 333.501 2.097 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCCSc1ccccc1 ZINC000631886199 470189358 /nfs/dbraw/zinc/18/93/58/470189358.db2.gz HRIKIOIOMBVRMW-AEFFLSMTSA-N 2 2 347.528 2.359 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NCCCSc1ccccc1 ZINC000631886199 470189359 /nfs/dbraw/zinc/18/93/59/470189359.db2.gz HRIKIOIOMBVRMW-AEFFLSMTSA-N 2 2 347.528 2.359 10 0 EEAELP C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H]1C[NH3+] ZINC000632913374 470286664 /nfs/dbraw/zinc/28/66/64/470286664.db2.gz ZCNYEUXXYFFQSM-CHWSQXEVSA-N 2 2 337.493 2.188 10 0 EEAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000648643954 470310027 /nfs/dbraw/zinc/31/00/27/470310027.db2.gz XTSLWTFSMJSXHJ-KRWDZBQOSA-N 2 2 344.459 2.022 10 0 EEAELP COc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000648643954 470310032 /nfs/dbraw/zinc/31/00/32/470310032.db2.gz XTSLWTFSMJSXHJ-KRWDZBQOSA-N 2 2 344.459 2.022 10 0 EEAELP c1cc(NCCC[C@H]2CCO2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000638881721 470315594 /nfs/dbraw/zinc/31/55/94/470315594.db2.gz MUHXGCTWAYARQD-INIZCTEOSA-N 2 2 344.459 2.419 10 0 EEAELP O=C(NCCNc1ccc2ccccc2[nH+]1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000649306740 470538802 /nfs/dbraw/zinc/53/88/02/470538802.db2.gz LZENJMXXHLAFFC-JQHSSLGASA-N 2 2 338.455 2.106 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@H](C[NH3+])c3ccc(F)cc3)[nH+]c12 ZINC000646138080 470541170 /nfs/dbraw/zinc/54/11/70/470541170.db2.gz ALVUBKXBVODFCJ-QGZVFWFLSA-N 2 2 340.402 2.183 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414972 470581241 /nfs/dbraw/zinc/58/12/41/470581241.db2.gz CCGZSMGPEWOBNH-OWCLPIDISA-N 2 2 333.480 2.255 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414972 470581247 /nfs/dbraw/zinc/58/12/47/470581247.db2.gz CCGZSMGPEWOBNH-OWCLPIDISA-N 2 2 333.480 2.255 10 0 EEAELP c1cn(CCCN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000649751743 470685701 /nfs/dbraw/zinc/68/57/01/470685701.db2.gz QXUPRFXBCIVKMB-VQTJNVASSA-N 2 2 340.471 2.249 10 0 EEAELP c1cn(CCCN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000649751743 470685707 /nfs/dbraw/zinc/68/57/07/470685707.db2.gz QXUPRFXBCIVKMB-VQTJNVASSA-N 2 2 340.471 2.249 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000643440770 470699648 /nfs/dbraw/zinc/69/96/48/470699648.db2.gz PZKDUIPSHUCJQM-GJZGRUSLSA-N 2 2 331.460 2.089 10 0 EEAELP CC(C)C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccncc1 ZINC000647289325 470877067 /nfs/dbraw/zinc/87/70/67/470877067.db2.gz OSNBALFVZJFXSH-WOJBJXKFSA-N 2 2 346.519 2.165 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899838 471011048 /nfs/dbraw/zinc/01/10/48/471011048.db2.gz ZYRMKOXGZMCHQU-CRAIPNDOSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647899838 471011050 /nfs/dbraw/zinc/01/10/50/471011050.db2.gz ZYRMKOXGZMCHQU-CRAIPNDOSA-N 2 2 344.459 2.048 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901180 471012424 /nfs/dbraw/zinc/01/24/24/471012424.db2.gz KLGBBDYNLSILNY-HLLBOEOZSA-N 2 2 347.528 2.485 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901180 471012427 /nfs/dbraw/zinc/01/24/27/471012427.db2.gz KLGBBDYNLSILNY-HLLBOEOZSA-N 2 2 347.528 2.485 10 0 EEAELP c1c(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)nnn1C1CCC1 ZINC000657293522 471087288 /nfs/dbraw/zinc/08/72/88/471087288.db2.gz PKKUCWGRWCXFKN-UHFFFAOYSA-N 2 2 341.459 2.125 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3C3CCCC3)CC2)CC1 ZINC000651207324 471090291 /nfs/dbraw/zinc/09/02/91/471090291.db2.gz NXCYNFSNQAZGBM-OALUTQOASA-N 2 2 333.520 2.488 10 0 EEAELP COCC(COC)[NH+]1CCN(c2[nH+]ccc3c(C)cccc32)CC1 ZINC000645256091 471193652 /nfs/dbraw/zinc/19/36/52/471193652.db2.gz GNJQGDQLCDUUEY-UHFFFAOYSA-N 2 2 329.444 2.327 10 0 EEAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000648437227 471205583 /nfs/dbraw/zinc/20/55/83/471205583.db2.gz FKTIMPYQBHPOAV-NVXWUHKLSA-N 2 2 335.879 2.340 10 0 EEAELP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801643 471236041 /nfs/dbraw/zinc/23/60/41/471236041.db2.gz UVHILNBVXDWCKL-HXUWFJFHSA-N 2 2 341.503 2.370 10 0 EEAELP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801643 471236043 /nfs/dbraw/zinc/23/60/43/471236043.db2.gz UVHILNBVXDWCKL-HXUWFJFHSA-N 2 2 341.503 2.370 10 0 EEAELP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000658114267 471267253 /nfs/dbraw/zinc/26/72/53/471267253.db2.gz JIFRXAFZYGGKDQ-JQHSSLGASA-N 2 2 333.476 2.206 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000655633852 471417286 /nfs/dbraw/zinc/41/72/86/471417286.db2.gz BQTQSODGNLIPFZ-MRXNPFEDSA-N 2 2 349.866 2.218 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000653072459 471473483 /nfs/dbraw/zinc/47/34/83/471473483.db2.gz SDTQMXYMXYFFAS-MLGOLLRUSA-N 2 2 341.858 2.292 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655774711 471478020 /nfs/dbraw/zinc/47/80/20/471478020.db2.gz FBXMVPUXRYJNQI-UHFFFAOYSA-N 2 2 343.475 2.235 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000653159584 471512474 /nfs/dbraw/zinc/51/24/74/471512474.db2.gz HHEYCFYXNOULAH-CQSZACIVSA-N 2 2 335.879 2.204 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000653159584 471512478 /nfs/dbraw/zinc/51/24/78/471512478.db2.gz HHEYCFYXNOULAH-CQSZACIVSA-N 2 2 335.879 2.204 10 0 EEAELP [NH3+]C1(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCCCC1 ZINC000669542825 471542870 /nfs/dbraw/zinc/54/28/70/471542870.db2.gz MCGOQUQEVRRTKO-HNNXBMFYSA-N 2 2 331.464 2.011 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)c1ccco1 ZINC000663848856 471546574 /nfs/dbraw/zinc/54/65/74/471546574.db2.gz NEFOBAZSRYBNNZ-ZIAGYGMSSA-N 2 2 333.436 2.456 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946417 471599454 /nfs/dbraw/zinc/59/94/54/471599454.db2.gz BDWDJKBHAICJFR-ROUUACIJSA-N 3 2 334.483 2.008 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@@H](C)[N@H+](CCO)C[C@@H]3C)c2cc1OC ZINC000664021508 471612481 /nfs/dbraw/zinc/61/24/81/471612481.db2.gz JSIULIUPQVVKTG-KGLIPLIRSA-N 2 2 345.443 2.143 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)c2cc1OC ZINC000664021508 471612485 /nfs/dbraw/zinc/61/24/85/471612485.db2.gz JSIULIUPQVVKTG-KGLIPLIRSA-N 2 2 345.443 2.143 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659428440 471621590 /nfs/dbraw/zinc/62/15/90/471621590.db2.gz WXVNNUYFKKMZFC-OAHLLOKOSA-N 2 2 331.464 2.407 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)[C@@H](CO)Cc1ccccc1 ZINC000661094681 471622241 /nfs/dbraw/zinc/62/22/41/471622241.db2.gz GZWZBXGTWQZJOR-NHCUHLMSSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)[C@@H](CO)Cc1ccccc1 ZINC000661094681 471622248 /nfs/dbraw/zinc/62/22/48/471622248.db2.gz GZWZBXGTWQZJOR-NHCUHLMSSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661094681 471622253 /nfs/dbraw/zinc/62/22/53/471622253.db2.gz GZWZBXGTWQZJOR-NHCUHLMSSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661094681 471622257 /nfs/dbraw/zinc/62/22/57/471622257.db2.gz GZWZBXGTWQZJOR-NHCUHLMSSA-N 2 2 342.483 2.015 10 0 EEAELP C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000667033123 471629442 /nfs/dbraw/zinc/62/94/42/471629442.db2.gz DUSOMHNRHZDGNS-INIZCTEOSA-N 2 2 332.492 2.485 10 0 EEAELP C[NH+](C)CCN(CC1CCCCC1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000667033123 471629446 /nfs/dbraw/zinc/62/94/46/471629446.db2.gz DUSOMHNRHZDGNS-INIZCTEOSA-N 2 2 332.492 2.485 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1cc2ccccc2o1 ZINC000664192347 471670970 /nfs/dbraw/zinc/67/09/70/471670970.db2.gz BFXPXJKFXZOWSX-UHFFFAOYSA-N 2 2 346.475 2.158 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1cc2ccccc2o1 ZINC000664192347 471670975 /nfs/dbraw/zinc/67/09/75/471670975.db2.gz BFXPXJKFXZOWSX-UHFFFAOYSA-N 2 2 346.475 2.158 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000653636893 471696861 /nfs/dbraw/zinc/69/68/61/471696861.db2.gz UKDYELCHZPNIDM-WCQYABFASA-N 2 2 345.281 2.421 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000653636893 471696867 /nfs/dbraw/zinc/69/68/67/471696867.db2.gz UKDYELCHZPNIDM-WCQYABFASA-N 2 2 345.281 2.421 10 0 EEAELP C[C@H](NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667250054 471709783 /nfs/dbraw/zinc/70/97/83/471709783.db2.gz GRQCKGLVIVAOLY-RDJZCZTQSA-N 2 2 341.459 2.049 10 0 EEAELP C[C@H](NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667250054 471709788 /nfs/dbraw/zinc/70/97/88/471709788.db2.gz GRQCKGLVIVAOLY-RDJZCZTQSA-N 2 2 341.459 2.049 10 0 EEAELP COc1cc2c(cc1OC)CC[NH+](Cc1c[nH+]c3n1CCC3)CC2 ZINC000667556894 471821590 /nfs/dbraw/zinc/82/15/90/471821590.db2.gz IPQYPSUTCWENAD-UHFFFAOYSA-N 2 2 327.428 2.447 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030467 471962921 /nfs/dbraw/zinc/96/29/21/471962921.db2.gz FQVALEUJGFOQCX-VNQPRFMTSA-N 2 2 340.427 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030467 471962924 /nfs/dbraw/zinc/96/29/24/471962924.db2.gz FQVALEUJGFOQCX-VNQPRFMTSA-N 2 2 340.427 2.372 10 0 EEAELP Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665219907 471972175 /nfs/dbraw/zinc/97/21/75/471972175.db2.gz LXMJFUKXWXGEJU-ZWKOTPCHSA-N 2 2 332.492 2.034 10 0 EEAELP Cc1ccccc1[C@@H]1C[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665219907 471972177 /nfs/dbraw/zinc/97/21/77/471972177.db2.gz LXMJFUKXWXGEJU-ZWKOTPCHSA-N 2 2 332.492 2.034 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2c(C3CCC3)cnn2C)CC1 ZINC000668097050 472007503 /nfs/dbraw/zinc/00/75/03/472007503.db2.gz XASBYDTUOUKVMF-UHFFFAOYSA-N 2 2 341.459 2.413 10 0 EEAELP FC(F)(F)c1csc([C@@H]2CCC[N@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662278260 472053180 /nfs/dbraw/zinc/05/31/80/472053180.db2.gz DHDBLFWOTBOPQE-GHMZBOCLSA-N 2 2 335.395 2.330 10 0 EEAELP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)n1 ZINC000662278260 472053183 /nfs/dbraw/zinc/05/31/83/472053183.db2.gz DHDBLFWOTBOPQE-GHMZBOCLSA-N 2 2 335.395 2.330 10 0 EEAELP Cc1cccc([C@H]2C(=O)NCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000662315403 472066882 /nfs/dbraw/zinc/06/68/82/472066882.db2.gz FGCSGIDKEMMNAZ-FQEVSTJZSA-N 2 2 335.451 2.314 10 0 EEAELP Cc1cccc([C@H]2C(=O)NCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000662315403 472066885 /nfs/dbraw/zinc/06/68/85/472066885.db2.gz FGCSGIDKEMMNAZ-FQEVSTJZSA-N 2 2 335.451 2.314 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000665535167 472080098 /nfs/dbraw/zinc/08/00/98/472080098.db2.gz MPCPRMUNWSQZNJ-CXAGYDPISA-N 2 2 330.407 2.073 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000665535167 472080102 /nfs/dbraw/zinc/08/01/02/472080102.db2.gz MPCPRMUNWSQZNJ-CXAGYDPISA-N 2 2 330.407 2.073 10 0 EEAELP Cn1c2ccc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc2sc1=O ZINC000668785700 472266961 /nfs/dbraw/zinc/26/69/61/472266961.db2.gz VJUWAYYAAHIADP-HNNXBMFYSA-N 2 2 349.500 2.143 10 0 EEAELP Cn1c2ccc(C[N@H+]3CCO[C@@H](CCC[NH+](C)C)C3)cc2sc1=O ZINC000668785700 472266965 /nfs/dbraw/zinc/26/69/65/472266965.db2.gz VJUWAYYAAHIADP-HNNXBMFYSA-N 2 2 349.500 2.143 10 0 EEAELP C[C@H](c1cccc(NC(=O)N(C)CC2C[NH+](C)C2)c1)[NH+]1CCOCC1 ZINC000666003728 472272166 /nfs/dbraw/zinc/27/21/66/472272166.db2.gz KPEQFSHEEQUPSH-OAHLLOKOSA-N 2 2 346.475 2.105 10 0 EEAELP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000662848999 472278358 /nfs/dbraw/zinc/27/83/58/472278358.db2.gz DMWJQZJQCBURQK-PVAVHDDUSA-N 2 2 328.460 2.219 10 0 EEAELP CC[N@H+](CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)C1CCCCC1 ZINC000631167600 485777599 /nfs/dbraw/zinc/77/75/99/485777599.db2.gz NJVSBPILEQFIHQ-QGZVFWFLSA-N 2 2 349.523 2.449 10 0 EEAELP CC[N@@H+](CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1)C1CCCCC1 ZINC000631167600 485777603 /nfs/dbraw/zinc/77/76/03/485777603.db2.gz NJVSBPILEQFIHQ-QGZVFWFLSA-N 2 2 349.523 2.449 10 0 EEAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(CO)cc2)CCCN1C ZINC000671564042 485927272 /nfs/dbraw/zinc/92/72/72/485927272.db2.gz VLNXXBPWELOQFF-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(CO)cc2)CCCN1C ZINC000671564042 485927279 /nfs/dbraw/zinc/92/72/79/485927279.db2.gz VLNXXBPWELOQFF-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP CN(C(=O)N[C@@H]1CC2CCC1CC2)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681217734 486175399 /nfs/dbraw/zinc/17/53/99/486175399.db2.gz VNDNJZHJCWEPPN-LRMJVLKBSA-N 2 2 348.535 2.375 10 0 EEAELP CN(C(=O)N[C@@H]1CC2CCC1CC2)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681217734 486175403 /nfs/dbraw/zinc/17/54/03/486175403.db2.gz VNDNJZHJCWEPPN-LRMJVLKBSA-N 2 2 348.535 2.375 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000192344600 528857899 /nfs/dbraw/zinc/85/78/99/528857899.db2.gz FQALMSXGOCTTJW-MRXNPFEDSA-N 2 2 335.496 2.351 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000192344600 528857905 /nfs/dbraw/zinc/85/79/05/528857905.db2.gz FQALMSXGOCTTJW-MRXNPFEDSA-N 2 2 335.496 2.351 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000132370606 529087786 /nfs/dbraw/zinc/08/77/86/529087786.db2.gz KCNILHSWMURNNB-CVEARBPZSA-N 2 2 333.480 2.302 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCCCCNc2cccc[nH+]2)C1 ZINC000132370606 529087789 /nfs/dbraw/zinc/08/77/89/529087789.db2.gz KCNILHSWMURNNB-CVEARBPZSA-N 2 2 333.480 2.302 10 0 EEAELP Cc1cncc(/C=C\C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000772691572 577289990 /nfs/dbraw/zinc/28/99/90/577289990.db2.gz AOBKZHZYTJWTCS-PHWHVTFISA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cncc(/C=C\C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000772691572 577289991 /nfs/dbraw/zinc/28/99/91/577289991.db2.gz AOBKZHZYTJWTCS-PHWHVTFISA-N 2 2 342.487 2.030 10 0 EEAELP C[NH+]1CCN(C(=O)CC2CC[NH+](C/C(Cl)=C\Cl)CC2)CC1 ZINC000763543892 577722455 /nfs/dbraw/zinc/72/24/55/577722455.db2.gz SLZWIKYOUACWOG-SDNWHVSQSA-N 2 2 334.291 2.182 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000755790554 577831375 /nfs/dbraw/zinc/83/13/75/577831375.db2.gz MWVXDHPPVJJJDX-CQSZACIVSA-N 2 2 339.399 2.003 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000755790554 577831376 /nfs/dbraw/zinc/83/13/76/577831376.db2.gz MWVXDHPPVJJJDX-CQSZACIVSA-N 2 2 339.399 2.003 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 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Cn1cc[nH+]c1CCC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001483038094 1188081893 /nfs/dbraw/zinc/08/18/93/1188081893.db2.gz RUZVACNKODNDGE-IHWYPQMZSA-N 2 2 346.862 2.468 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC1CC(NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001409264171 1188233903 /nfs/dbraw/zinc/23/39/03/1188233903.db2.gz FQFXKXKOYDWKAK-UHFFFAOYSA-N 2 2 344.434 2.474 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC1CC(NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001409264171 1188233904 /nfs/dbraw/zinc/23/39/04/1188233904.db2.gz FQFXKXKOYDWKAK-UHFFFAOYSA-N 2 2 344.434 2.474 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001483077190 1188437047 /nfs/dbraw/zinc/43/70/47/1188437047.db2.gz HUCLYOSKSTWYKP-ZIYVKSGCSA-N 2 2 326.391 2.040 10 0 EEAELP O=C(CC[NH+]1CCCCC1)NC[C@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001272909971 1193600811 /nfs/dbraw/zinc/60/08/11/1193600811.db2.gz WJEGMZXHYSBVEY-IBGZPJMESA-N 2 2 349.519 2.180 10 0 EEAELP O=C(CC[NH+]1CCCCC1)NC[C@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001272909971 1193600812 /nfs/dbraw/zinc/60/08/12/1193600812.db2.gz WJEGMZXHYSBVEY-IBGZPJMESA-N 2 2 349.519 2.180 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CC1CCC(F)(F)CC1 ZINC001409442782 1189683435 /nfs/dbraw/zinc/68/34/35/1189683435.db2.gz BOFZSYPMBSVWTJ-CHWSQXEVSA-N 2 2 328.407 2.191 10 0 EEAELP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001485893909 1193632412 /nfs/dbraw/zinc/63/24/12/1193632412.db2.gz MFOWEFWWIHWMCC-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592681 1190909124 /nfs/dbraw/zinc/90/91/24/1190909124.db2.gz ZJHWYNHZMZLWJR-ZIAGYGMSSA-N 2 2 347.488 2.073 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CC[NH2+]Cc2ccns2)C1 ZINC001272592681 1190909127 /nfs/dbraw/zinc/90/91/27/1190909127.db2.gz ZJHWYNHZMZLWJR-ZIAGYGMSSA-N 2 2 347.488 2.073 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@H+](CCC2=CCCCC2)C1 ZINC001484068823 1191195367 /nfs/dbraw/zinc/19/53/67/1191195367.db2.gz VOMZENDJGRYUMQ-IBGZPJMESA-N 2 2 330.476 2.434 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001484068823 1191195368 /nfs/dbraw/zinc/19/53/68/1191195368.db2.gz VOMZENDJGRYUMQ-IBGZPJMESA-N 2 2 330.476 2.434 10 0 EEAELP C[C@@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001484100819 1191210833 /nfs/dbraw/zinc/21/08/33/1191210833.db2.gz OWGFOKURMDVAIW-PXNSSMCTSA-N 2 2 344.503 2.464 10 0 EEAELP C/C(=C/C(=O)NCC[NH+]1CCC([NH2+]CC[C@@H](C)F)CC1)C1CC1 ZINC001484416129 1191342180 /nfs/dbraw/zinc/34/21/80/1191342180.db2.gz CBBMIQXSOYCPOE-SEWDUPMJSA-N 2 2 325.472 2.261 10 0 EEAELP CCCC[N@@H+]1CCc2c(CNC(=O)Cc3c[nH+]cn3C)cccc2C1 ZINC001484612205 1191437326 /nfs/dbraw/zinc/43/73/26/1191437326.db2.gz OLMPDPQURNRCFZ-UHFFFAOYSA-N 2 2 340.471 2.437 10 0 EEAELP CCCC[N@H+]1CCc2c(CNC(=O)Cc3c[nH+]cn3C)cccc2C1 ZINC001484612205 1191437327 /nfs/dbraw/zinc/43/73/27/1191437327.db2.gz OLMPDPQURNRCFZ-UHFFFAOYSA-N 2 2 340.471 2.437 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCO[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001484694978 1191475849 /nfs/dbraw/zinc/47/58/49/1191475849.db2.gz GIKPWJNVGIFOCO-KRWDZBQOSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C)sn1 ZINC001484909423 1191570843 /nfs/dbraw/zinc/57/08/43/1191570843.db2.gz MXZMVDSKSDQVFH-XJKSGUPXSA-N 2 2 347.488 2.065 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001484979025 1191605811 /nfs/dbraw/zinc/60/58/11/1191605811.db2.gz XAVVVZXJKBPAAW-IRXDYDNUSA-N 2 2 336.480 2.057 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C[C@@H]1C ZINC001484979025 1191605813 /nfs/dbraw/zinc/60/58/13/1191605813.db2.gz XAVVVZXJKBPAAW-IRXDYDNUSA-N 2 2 336.480 2.057 10 0 EEAELP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001485095790 1191654171 /nfs/dbraw/zinc/65/41/71/1191654171.db2.gz DGTCEKUZFRZZFR-YCZKOUEWSA-N 2 2 330.476 2.286 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485175468 1191677182 /nfs/dbraw/zinc/67/71/82/1191677182.db2.gz DGXMXPOQGAMGBU-QWHCGFSZSA-N 2 2 336.386 2.234 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccc2ncccc2c1 ZINC001485395496 1191772410 /nfs/dbraw/zinc/77/24/10/1191772410.db2.gz NAQUPMRKHRJKDI-HNNXBMFYSA-N 2 2 337.427 2.068 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccc2ncccc2c1 ZINC001485395496 1191772411 /nfs/dbraw/zinc/77/24/11/1191772411.db2.gz NAQUPMRKHRJKDI-HNNXBMFYSA-N 2 2 337.427 2.068 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC001486151545 1193702077 /nfs/dbraw/zinc/70/20/77/1193702077.db2.gz WKIAYQLZXGSOGB-VQIMIIECSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC001486151545 1193702078 /nfs/dbraw/zinc/70/20/78/1193702078.db2.gz WKIAYQLZXGSOGB-VQIMIIECSA-N 2 2 346.475 2.117 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001272945249 1193958575 /nfs/dbraw/zinc/95/85/75/1193958575.db2.gz VYIZVLNLLDSGKU-ZDUSSCGKSA-N 2 2 335.839 2.006 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001273067717 1194366498 /nfs/dbraw/zinc/36/64/98/1194366498.db2.gz VCTPRAGRAPJPDF-NWDGAFQWSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001273067717 1194366495 /nfs/dbraw/zinc/36/64/95/1194366495.db2.gz VCTPRAGRAPJPDF-NWDGAFQWSA-N 2 2 335.477 2.038 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[N@H+](Cc2cccnc2)CC1(C)C)n1cc[nH+]c1 ZINC001410032442 1197479795 /nfs/dbraw/zinc/47/97/95/1197479795.db2.gz RWSVEXNKOBTMJI-WBVHZDCISA-N 2 2 341.459 2.256 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[N@@H+](Cc2cccnc2)CC1(C)C)n1cc[nH+]c1 ZINC001410032442 1197479798 /nfs/dbraw/zinc/47/97/98/1197479798.db2.gz RWSVEXNKOBTMJI-WBVHZDCISA-N 2 2 341.459 2.256 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154054 1198060244 /nfs/dbraw/zinc/06/02/44/1198060244.db2.gz SAZSUPXPWLRRHL-BPQOCRPUSA-N 2 2 329.488 2.356 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000872154054 1198060251 /nfs/dbraw/zinc/06/02/51/1198060251.db2.gz SAZSUPXPWLRRHL-BPQOCRPUSA-N 2 2 329.488 2.356 10 0 EEAELP CO[C@@H](C)C[N@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001411193793 1198889759 /nfs/dbraw/zinc/88/97/59/1198889759.db2.gz FCTBTEUMLFZKPD-AWEZNQCLSA-N 2 2 332.448 2.380 10 0 EEAELP CO[C@@H](C)C[N@@H+](C)CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001411193793 1198889760 /nfs/dbraw/zinc/88/97/60/1198889760.db2.gz FCTBTEUMLFZKPD-AWEZNQCLSA-N 2 2 332.448 2.380 10 0 EEAELP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001411239329 1198955347 /nfs/dbraw/zinc/95/53/47/1198955347.db2.gz VNADCZWZPWZTCQ-GTPINHCMSA-N 2 2 332.492 2.461 10 0 EEAELP Cc1cnc(F)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000866113480 1201436461 /nfs/dbraw/zinc/43/64/61/1201436461.db2.gz AXWHTBFGQJDJPN-UHFFFAOYSA-N 2 2 348.466 2.209 10 0 EEAELP CCN(c1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1)C(C)C ZINC000866673940 1201576680 /nfs/dbraw/zinc/57/66/80/1201576680.db2.gz MPJPDMRSKPLLSS-HZPDHXFCSA-N 2 2 332.492 2.386 10 0 EEAELP CCN(c1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1)C(C)C ZINC000866673940 1201576683 /nfs/dbraw/zinc/57/66/83/1201576683.db2.gz MPJPDMRSKPLLSS-HZPDHXFCSA-N 2 2 332.492 2.386 10 0 EEAELP CC1([NH2+]CCCF)CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001274340444 1205002665 /nfs/dbraw/zinc/00/26/65/1205002665.db2.gz YZMUQKXFGUBSDA-UHFFFAOYSA-N 2 2 336.455 2.092 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1F ZINC001274537125 1205071307 /nfs/dbraw/zinc/07/13/07/1205071307.db2.gz YHYMJKJNWKWGAS-SZZPACECSA-N 2 2 330.407 2.423 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001275209577 1205282363 /nfs/dbraw/zinc/28/23/63/1205282363.db2.gz SWRCXCOJUQFUKC-WIVVLVHASA-N 2 2 338.455 2.253 10 0 EEAELP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001412171380 1205661748 /nfs/dbraw/zinc/66/17/48/1205661748.db2.gz WVSNBWOFDWGGFP-MWDXBVQZSA-N 2 2 328.460 2.215 10 0 EEAELP C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H](Nc4cccc[nH+]4)CC3)[C@@H]2C1 ZINC001412171380 1205661749 /nfs/dbraw/zinc/66/17/49/1205661749.db2.gz WVSNBWOFDWGGFP-MWDXBVQZSA-N 2 2 328.460 2.215 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001412385879 1205710624 /nfs/dbraw/zinc/71/06/24/1205710624.db2.gz PMYBJLJDTIDIBB-UHFFFAOYSA-N 2 2 330.432 2.428 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001412385879 1205710625 /nfs/dbraw/zinc/71/06/25/1205710625.db2.gz PMYBJLJDTIDIBB-UHFFFAOYSA-N 2 2 330.432 2.428 10 0 EEAELP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925097355 1206069429 /nfs/dbraw/zinc/06/94/29/1206069429.db2.gz QHVLIEZZERUQIQ-IPMKNSEASA-N 2 2 334.460 2.344 10 0 EEAELP COc1cc(OC)cc([C@H](O)C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925097355 1206069432 /nfs/dbraw/zinc/06/94/32/1206069432.db2.gz QHVLIEZZERUQIQ-IPMKNSEASA-N 2 2 334.460 2.344 10 0 EEAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@]2([NH+](C)C)CCSC2)n(C)n1 ZINC000925214540 1206084105 /nfs/dbraw/zinc/08/41/05/1206084105.db2.gz KMQKFFALFXAFFH-SZMVWBNQSA-N 2 2 336.549 2.467 10 0 EEAELP COc1ccc2cc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)ccc2c1 ZINC000926114915 1206193988 /nfs/dbraw/zinc/19/39/88/1206193988.db2.gz NAHGARZQEVQFKZ-UHFFFAOYSA-N 2 2 342.443 2.393 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000928434654 1206382867 /nfs/dbraw/zinc/38/28/67/1206382867.db2.gz BAFSSFYFZGKXCR-ZTFGCOKTSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1C ZINC000928434654 1206382868 /nfs/dbraw/zinc/38/28/68/1206382868.db2.gz BAFSSFYFZGKXCR-ZTFGCOKTSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000928434654 1206382870 /nfs/dbraw/zinc/38/28/70/1206382870.db2.gz BAFSSFYFZGKXCR-ZTFGCOKTSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000928434654 1206382871 /nfs/dbraw/zinc/38/28/71/1206382871.db2.gz BAFSSFYFZGKXCR-ZTFGCOKTSA-N 2 2 333.451 2.389 10 0 EEAELP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001691735838 1210525431 /nfs/dbraw/zinc/52/54/31/1210525431.db2.gz AFKHCJBMWSKLPF-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP CC[C@@H](F)C[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001691735838 1210525433 /nfs/dbraw/zinc/52/54/33/1210525433.db2.gz AFKHCJBMWSKLPF-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000305630908 1216817681 /nfs/dbraw/zinc/81/76/81/1216817681.db2.gz MMGHFRQPPKZCOD-IAGOWNOFSA-N 2 2 333.432 2.389 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000305630908 1216817685 /nfs/dbraw/zinc/81/76/85/1216817685.db2.gz MMGHFRQPPKZCOD-IAGOWNOFSA-N 2 2 333.432 2.389 10 0 EEAELP O[C@]12C[C@H]1C[N@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC001413036977 1216975211 /nfs/dbraw/zinc/97/52/11/1216975211.db2.gz VFCGAMAGVICFOG-QFBILLFUSA-N 2 2 349.906 2.309 10 0 EEAELP O[C@]12C[C@H]1C[N@@H+](CCC[NH+]1CCN(c3ccc(Cl)cc3)CC1)CC2 ZINC001413036977 1216975212 /nfs/dbraw/zinc/97/52/12/1216975212.db2.gz VFCGAMAGVICFOG-QFBILLFUSA-N 2 2 349.906 2.309 10 0 EEAELP COC(=O)/C=C/c1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)o1 ZINC000827857228 1248833989 /nfs/dbraw/zinc/83/39/89/1248833989.db2.gz ZBSYTGLTVMCVRL-FDMDGMSGSA-N 2 2 336.432 2.008 10 0 EEAELP COC(=O)/C=C/c1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)o1 ZINC000827857228 1248833995 /nfs/dbraw/zinc/83/39/95/1248833995.db2.gz ZBSYTGLTVMCVRL-FDMDGMSGSA-N 2 2 336.432 2.008 10 0 EEAELP C[C@@H](c1cccc(NC(=O)C23CC[NH+](CC2)C3)c1)[NH+]1CCOCC1 ZINC000900578039 1234509811 /nfs/dbraw/zinc/50/98/11/1234509811.db2.gz YLCQUWAOZITEHY-HNNXBMFYSA-N 2 2 329.444 2.114 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001413271420 1235116777 /nfs/dbraw/zinc/11/67/77/1235116777.db2.gz NEJWSXCWZOXZPM-UHFFFAOYSA-N 2 2 335.536 2.449 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CC1C2CC3CC(C2)CC1C3 ZINC001413271420 1235116779 /nfs/dbraw/zinc/11/67/79/1235116779.db2.gz NEJWSXCWZOXZPM-UHFFFAOYSA-N 2 2 335.536 2.449 10 0 EEAELP CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000903055027 1239633859 /nfs/dbraw/zinc/63/38/59/1239633859.db2.gz WCFNIFRXDBXMND-AWEZNQCLSA-N 2 2 333.457 2.490 10 0 EEAELP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOC1 ZINC000903360947 1240307356 /nfs/dbraw/zinc/30/73/56/1240307356.db2.gz MSAIKVKGGDPIKK-RLLQIKCJSA-N 2 2 347.503 2.466 10 0 EEAELP CC(C)O[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOC1 ZINC000903360947 1240307363 /nfs/dbraw/zinc/30/73/63/1240307363.db2.gz MSAIKVKGGDPIKK-RLLQIKCJSA-N 2 2 347.503 2.466 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000903565566 1240958268 /nfs/dbraw/zinc/95/82/68/1240958268.db2.gz MJRKYTYCDWNRMR-UHFFFAOYSA-N 2 2 344.503 2.074 10 0 EEAELP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955429 1242704009 /nfs/dbraw/zinc/70/40/09/1242704009.db2.gz RMQNBODAKAVTLY-LBPRGKRZSA-N 2 2 330.375 2.047 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001491124805 1258723310 /nfs/dbraw/zinc/72/33/10/1258723310.db2.gz AQOQREIDJYXFPA-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001491124805 1258723320 /nfs/dbraw/zinc/72/33/20/1258723320.db2.gz AQOQREIDJYXFPA-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP Cc1nocc1C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491226324 1258811596 /nfs/dbraw/zinc/81/15/96/1258811596.db2.gz OUOMIRCDKRBMHL-RHSMWYFYSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1nocc1C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001491226324 1258811601 /nfs/dbraw/zinc/81/16/01/1258811601.db2.gz OUOMIRCDKRBMHL-RHSMWYFYSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001488779312 1290189538 /nfs/dbraw/zinc/18/95/38/1290189538.db2.gz JFPBZTPXXKUVMJ-MAEOIBBWSA-N 2 2 340.471 2.378 10 0 EEAELP Cn1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Cl)n1 ZINC000856768636 1293626531 /nfs/dbraw/zinc/62/65/31/1293626531.db2.gz MOVBYKKNVYHWKU-QGZVFWFLSA-N 2 2 347.894 2.152 10 0 EEAELP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000861615678 1295478959 /nfs/dbraw/zinc/47/89/59/1295478959.db2.gz UHABXBCRNWIVBT-COLVAYQJSA-N 2 2 342.846 2.213 10 0 EEAELP C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000861615678 1295478967 /nfs/dbraw/zinc/47/89/67/1295478967.db2.gz UHABXBCRNWIVBT-COLVAYQJSA-N 2 2 342.846 2.213 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]CCOc1ccccc1C ZINC001278001608 1305648341 /nfs/dbraw/zinc/64/83/41/1305648341.db2.gz BWWFCMLXKLBSRT-OAHLLOKOSA-N 2 2 344.459 2.085 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H](O)CN(C)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001278787609 1318090707 /nfs/dbraw/zinc/09/07/07/1318090707.db2.gz ZEKTWECACJNYHV-OZSKJFCKSA-N 2 2 333.476 2.386 10 0 EEAELP Cc1nc(CC[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)cs1 ZINC001279034256 1319053227 /nfs/dbraw/zinc/05/32/27/1319053227.db2.gz LNBAFXYKHOPQQR-OAHLLOKOSA-N 2 2 349.504 2.011 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264677757 1322779899 /nfs/dbraw/zinc/77/98/99/1322779899.db2.gz IOLXJCCFPVACRT-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)sn1 ZINC001265041681 1322883342 /nfs/dbraw/zinc/88/33/42/1322883342.db2.gz HAOKEDBDZKQMEC-AWEZNQCLSA-N 2 2 335.477 2.237 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)C[C@H](C)n2cc[nH+]c2)sn1 ZINC001265041681 1322883346 /nfs/dbraw/zinc/88/33/46/1322883346.db2.gz HAOKEDBDZKQMEC-AWEZNQCLSA-N 2 2 335.477 2.237 10 0 EEAELP CCc1cnc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001265902464 1323471297 /nfs/dbraw/zinc/47/12/97/1323471297.db2.gz OLWUVQVSRRVTBB-UHFFFAOYSA-N 2 2 336.480 2.050 10 0 EEAELP CCc1cnc(C[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001265902464 1323471299 /nfs/dbraw/zinc/47/12/99/1323471299.db2.gz OLWUVQVSRRVTBB-UHFFFAOYSA-N 2 2 336.480 2.050 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001266002015 1323557325 /nfs/dbraw/zinc/55/73/25/1323557325.db2.gz RVNNQBQYWLHHLG-QGZVFWFLSA-N 2 2 332.492 2.371 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C)cc1 ZINC001279169283 1323843012 /nfs/dbraw/zinc/84/30/12/1323843012.db2.gz FUMDKVWCAOZUIW-FUHWJXTLSA-N 2 2 340.471 2.187 10 0 EEAELP COCCCC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001280747767 1324474360 /nfs/dbraw/zinc/47/43/60/1324474360.db2.gz UYQOWWOXHPAZIV-KRWDZBQOSA-N 2 2 349.475 2.030 10 0 EEAELP COCCCC[N@H+]1CCC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001280747767 1324474370 /nfs/dbraw/zinc/47/43/70/1324474370.db2.gz UYQOWWOXHPAZIV-KRWDZBQOSA-N 2 2 349.475 2.030 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)O2 ZINC001280928989 1324646121 /nfs/dbraw/zinc/64/61/21/1324646121.db2.gz BUNQIPCWJGMDBF-VMLVWOMUSA-N 2 2 349.519 2.177 10 0 EEAELP CCCCOCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001282964622 1325857765 /nfs/dbraw/zinc/85/77/65/1325857765.db2.gz KHFOIYCJASLYMX-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP CCCCOCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH]c[nH+]3)C2)C1 ZINC001282964622 1325857768 /nfs/dbraw/zinc/85/77/68/1325857768.db2.gz KHFOIYCJASLYMX-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP CCCCOCC[N@@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001282964622 1325857772 /nfs/dbraw/zinc/85/77/72/1325857772.db2.gz KHFOIYCJASLYMX-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP CCCCOCC[N@H+]1CCCC2(CN(C(=O)CCc3c[nH+]c[nH]3)C2)C1 ZINC001282964622 1325857775 /nfs/dbraw/zinc/85/77/75/1325857775.db2.gz KHFOIYCJASLYMX-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001283042049 1325896610 /nfs/dbraw/zinc/89/66/10/1325896610.db2.gz GKKKBYOCIQDBEK-CTYIDZIISA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001283042049 1325896612 /nfs/dbraw/zinc/89/66/12/1325896612.db2.gz GKKKBYOCIQDBEK-CTYIDZIISA-N 2 2 347.850 2.075 10 0 EEAELP Cc1cnc([C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001492441638 1331255982 /nfs/dbraw/zinc/25/59/82/1331255982.db2.gz MTYMDWSLJFXJPB-DLBZAZTESA-N 2 2 347.507 2.159 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001492441638 1331255984 /nfs/dbraw/zinc/25/59/84/1331255984.db2.gz MTYMDWSLJFXJPB-DLBZAZTESA-N 2 2 347.507 2.159 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001316980838 1332028103 /nfs/dbraw/zinc/02/81/03/1332028103.db2.gz LUPWHZTZTWTORJ-QGZVFWFLSA-N 2 2 337.427 2.145 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001316980838 1332028104 /nfs/dbraw/zinc/02/81/04/1332028104.db2.gz LUPWHZTZTWTORJ-QGZVFWFLSA-N 2 2 337.427 2.145 10 0 EEAELP Cc1cnc([C@H](C)[NH2+][C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001317247751 1332151860 /nfs/dbraw/zinc/15/18/60/1332151860.db2.gz RRLYGJGQWXXDGG-STQMWFEESA-N 2 2 338.415 2.130 10 0 EEAELP CC1CC(C[NH2+]CCc2ccc(CNC(=O)Cc3c[nH]c[nH+]3)cc2)C1 ZINC001317369161 1332198653 /nfs/dbraw/zinc/19/86/53/1332198653.db2.gz VWBVWCBMKWIFOX-UHFFFAOYSA-N 2 2 340.471 2.447 10 0 EEAELP CCO[C@H](C[NH2+]CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317584524 1332309519 /nfs/dbraw/zinc/30/95/19/1332309519.db2.gz GTLKOBKSDLCRAX-QGZVFWFLSA-N 2 2 344.459 2.119 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[NH2+]CC=C(C)C ZINC001318561804 1332561122 /nfs/dbraw/zinc/56/11/22/1332561122.db2.gz KQFYKASGYFLKRT-WMZOPIPTSA-N 2 2 337.508 2.080 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[NH2+]CC=C(C)C ZINC001318561804 1332561125 /nfs/dbraw/zinc/56/11/25/1332561125.db2.gz KQFYKASGYFLKRT-WMZOPIPTSA-N 2 2 337.508 2.080 10 0 EEAELP C[C@](C[NH2+]CCc1ccccc1F)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001318726066 1332583695 /nfs/dbraw/zinc/58/36/95/1332583695.db2.gz DJCNGAVHLNHIIX-LJQANCHMSA-N 2 2 344.434 2.209 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001319503559 1332712722 /nfs/dbraw/zinc/71/27/22/1332712722.db2.gz UZXVJZRUUKSXSP-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCC[C@H]1CCOC1)c1cccc2[nH+]ccn21 ZINC001321159498 1333034142 /nfs/dbraw/zinc/03/41/42/1333034142.db2.gz YSATVQQPJLAAHX-AIMAZDRCSA-N 2 2 342.443 2.027 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]CCOC2CCC2)c[nH+]1 ZINC001324180487 1333629705 /nfs/dbraw/zinc/62/97/05/1333629705.db2.gz JAJUESZFIXBNDR-MRXNPFEDSA-N 2 2 348.491 2.076 10 0 EEAELP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001324661108 1333733177 /nfs/dbraw/zinc/73/31/77/1333733177.db2.gz KYUZDXZNHHTBBD-RHSMWYFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001324661108 1333733179 /nfs/dbraw/zinc/73/31/79/1333733179.db2.gz KYUZDXZNHHTBBD-RHSMWYFYSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001326388052 1334081571 /nfs/dbraw/zinc/08/15/71/1334081571.db2.gz UUMGGXJCCBUFLQ-KGLIPLIRSA-N 2 2 347.488 2.073 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001326388052 1334081574 /nfs/dbraw/zinc/08/15/74/1334081574.db2.gz UUMGGXJCCBUFLQ-KGLIPLIRSA-N 2 2 347.488 2.073 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001326412439 1334088456 /nfs/dbraw/zinc/08/84/56/1334088456.db2.gz SUFIONJSDKGGGH-GFCCVEGCSA-N 2 2 345.274 2.110 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001326417325 1334089373 /nfs/dbraw/zinc/08/93/73/1334089373.db2.gz CBFSFHKNGLKRHE-SJORKVTESA-N 2 2 348.491 2.048 10 0 EEAELP C[C@@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001328447903 1334460252 /nfs/dbraw/zinc/46/02/52/1334460252.db2.gz XITPEKFRDVIKCN-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP C[NH+](C)[C@H](C(=O)NCCC[N@@H+](C)Cc1cncs1)c1ccccc1 ZINC001479816603 1337399070 /nfs/dbraw/zinc/39/90/70/1337399070.db2.gz VVXWHRMAOOZZED-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP C[NH+](C)[C@H](C(=O)NCCC[N@H+](C)Cc1cncs1)c1ccccc1 ZINC001479816603 1337399072 /nfs/dbraw/zinc/39/90/72/1337399072.db2.gz VVXWHRMAOOZZED-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001664023005 1355075539 /nfs/dbraw/zinc/07/55/39/1355075539.db2.gz BANBTFZTINIZSX-QGZVFWFLSA-N 2 2 340.471 2.311 10 0 EEAELP C[C@@H](CC[NH+](C)C)C(=O)N(CCn1cc[nH+]c1)C1CCSCC1 ZINC001433981147 1341737073 /nfs/dbraw/zinc/73/70/73/1341737073.db2.gz YOISMODQIBCMNF-HNNXBMFYSA-N 2 2 338.521 2.195 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001668569553 1355964681 /nfs/dbraw/zinc/96/46/81/1355964681.db2.gz ANWOHOACXUZQJO-AWEZNQCLSA-N 2 2 333.411 2.007 10 0 EEAELP c1nscc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001434500620 1341860126 /nfs/dbraw/zinc/86/01/26/1341860126.db2.gz AVJLBAXNUUNVRX-UHFFFAOYSA-N 2 2 333.457 2.144 10 0 EEAELP Cc1cccc(C)c1C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001436336904 1342040020 /nfs/dbraw/zinc/04/00/20/1342040020.db2.gz YAFRZBALYSZRAT-KRWDZBQOSA-N 2 2 326.444 2.233 10 0 EEAELP Cc1cccc(C)c1C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001436336904 1342040024 /nfs/dbraw/zinc/04/00/24/1342040024.db2.gz YAFRZBALYSZRAT-KRWDZBQOSA-N 2 2 326.444 2.233 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)ccc1F ZINC001499119804 1342107930 /nfs/dbraw/zinc/10/79/30/1342107930.db2.gz HYRFBGIBODOBGY-INIZCTEOSA-N 2 2 330.407 2.030 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(C)ccc1F ZINC001499119804 1342107934 /nfs/dbraw/zinc/10/79/34/1342107934.db2.gz HYRFBGIBODOBGY-INIZCTEOSA-N 2 2 330.407 2.030 10 0 EEAELP CC(C)=CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001673989149 1356767710 /nfs/dbraw/zinc/76/77/10/1356767710.db2.gz PQLYYLOLYPJLSB-UHFFFAOYSA-N 2 2 337.508 2.034 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]Cc2ccns2)c[nH+]1 ZINC001675920971 1357070010 /nfs/dbraw/zinc/07/00/10/1357070010.db2.gz UGECXFFUNAZDHF-ZDUSSCGKSA-N 2 2 349.504 2.458 10 0 EEAELP CC(C)OCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001569920061 1342977883 /nfs/dbraw/zinc/97/78/83/1342977883.db2.gz STEMQNBCHJGCLJ-FUHWJXTLSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001569920061 1342977885 /nfs/dbraw/zinc/97/78/85/1342977885.db2.gz STEMQNBCHJGCLJ-FUHWJXTLSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001569920061 1342977886 /nfs/dbraw/zinc/97/78/86/1342977886.db2.gz STEMQNBCHJGCLJ-FUHWJXTLSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001569920061 1342977889 /nfs/dbraw/zinc/97/78/89/1342977889.db2.gz STEMQNBCHJGCLJ-FUHWJXTLSA-N 2 2 348.491 2.080 10 0 EEAELP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001571402331 1343204950 /nfs/dbraw/zinc/20/49/50/1343204950.db2.gz UQTXEJUKNLLBJO-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001571402331 1343204951 /nfs/dbraw/zinc/20/49/51/1343204951.db2.gz UQTXEJUKNLLBJO-SJLPKXTDSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H](F)CC[N@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001677566933 1357358841 /nfs/dbraw/zinc/35/88/41/1357358841.db2.gz OZRWEOGXZGRFOI-HNNXBMFYSA-N 2 2 348.466 2.258 10 0 EEAELP C[C@H](F)CC[N@@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001677566933 1357358845 /nfs/dbraw/zinc/35/88/45/1357358845.db2.gz OZRWEOGXZGRFOI-HNNXBMFYSA-N 2 2 348.466 2.258 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001660314051 1354438040 /nfs/dbraw/zinc/43/80/40/1354438040.db2.gz ZVMPBDOFXOUEFZ-GFCCVEGCSA-N 2 2 336.386 2.430 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001660314051 1354438044 /nfs/dbraw/zinc/43/80/44/1354438044.db2.gz ZVMPBDOFXOUEFZ-GFCCVEGCSA-N 2 2 336.386 2.430 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](C[NH2+]CCCCC(F)(F)F)C1 ZINC001661845670 1354707765 /nfs/dbraw/zinc/70/77/65/1354707765.db2.gz AHFZHXWHTXIKOC-CQSZACIVSA-N 2 2 346.397 2.444 10 0 EEAELP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001661930024 1354724633 /nfs/dbraw/zinc/72/46/33/1354724633.db2.gz PCKZDGGZRQMNGZ-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001661930746 1354725167 /nfs/dbraw/zinc/72/51/67/1354725167.db2.gz YLZLXFCCBVODTL-SBRLYDIBSA-N 2 2 336.867 2.169 10 0 EEAELP CC(C)C[C@@H](C(=O)N(C)CC[NH2+]Cc1nccs1)n1cc[nH+]c1 ZINC001663999659 1355071199 /nfs/dbraw/zinc/07/11/99/1355071199.db2.gz GNMSDTQUXGYIJD-AWEZNQCLSA-N 2 2 335.477 2.175 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCc2ccccc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001667064191 1355643298 /nfs/dbraw/zinc/64/32/98/1355643298.db2.gz UYAJCOYMDGHBPN-SJLPKXTDSA-N 2 2 340.471 2.440 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001667289886 1355698956 /nfs/dbraw/zinc/69/89/56/1355698956.db2.gz BVIKPIIHYBCQAN-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)cs1 ZINC001667296834 1355702258 /nfs/dbraw/zinc/70/22/58/1355702258.db2.gz UMFYXXSZBAVGNO-HNNXBMFYSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001667693434 1355788065 /nfs/dbraw/zinc/78/80/65/1355788065.db2.gz HWAOQQHVUPSRBI-NVXWUHKLSA-N 2 2 336.455 2.323 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCCCCF)C1 ZINC001667693434 1355788070 /nfs/dbraw/zinc/78/80/70/1355788070.db2.gz HWAOQQHVUPSRBI-NVXWUHKLSA-N 2 2 336.455 2.323 10 0 EEAELP C[C@H](CC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)nc1)n1cc[nH+]c1 ZINC001669064376 1356081614 /nfs/dbraw/zinc/08/16/14/1356081614.db2.gz ULMCGKCTCPVXQN-PYLYLYNFSA-N 2 2 347.850 2.345 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCC2=CCCCC2)CCOCC1 ZINC001671952407 1356443316 /nfs/dbraw/zinc/44/33/16/1356443316.db2.gz MPSVYHOAPXMFLT-UHFFFAOYSA-N 2 2 346.475 2.098 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671971481 1356446443 /nfs/dbraw/zinc/44/64/43/1356446443.db2.gz BSEOLTRQDICVJM-NQHOJNORSA-N 2 2 340.418 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671971481 1356446446 /nfs/dbraw/zinc/44/64/46/1356446446.db2.gz BSEOLTRQDICVJM-NQHOJNORSA-N 2 2 340.418 2.382 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CC3=CCCCC3)C2)C1 ZINC001673576273 1356714452 /nfs/dbraw/zinc/71/44/52/1356714452.db2.gz VJWRNAKTXQCBAE-SFHVURJKSA-N 2 2 349.519 2.178 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@@H]1COC2(C[NH+](CC3=CCCCC3)C2)C1 ZINC001673576273 1356714453 /nfs/dbraw/zinc/71/44/53/1356714453.db2.gz VJWRNAKTXQCBAE-SFHVURJKSA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1c2ccccc2CC[N@H+]1CCF ZINC001674271233 1356809267 /nfs/dbraw/zinc/80/92/67/1356809267.db2.gz DDWYODSIIGYUQF-GOSISDBHSA-N 2 2 335.467 2.403 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CCF ZINC001674271233 1356809268 /nfs/dbraw/zinc/80/92/68/1356809268.db2.gz DDWYODSIIGYUQF-GOSISDBHSA-N 2 2 335.467 2.403 10 0 EEAELP O=C(NC[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001691794775 1404948136 /nfs/dbraw/zinc/94/81/36/1404948136.db2.gz ODCZZCYPXBTMTJ-CTYIDZIISA-N 2 2 342.443 2.230 10 0 EEAELP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]CCc1ccccc1 ZINC001699961866 1405606688 /nfs/dbraw/zinc/60/66/88/1405606688.db2.gz DHLKCBAUUNKZMJ-HKUYNNGSSA-N 2 2 340.471 2.200 10 0 EEAELP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001699984859 1405628488 /nfs/dbraw/zinc/62/84/88/1405628488.db2.gz SULQLDGLBGNGHM-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066986183 776915311 /nfs/dbraw/zinc/91/53/11/776915311.db2.gz UMRXFYZYTHDYEQ-OAHLLOKOSA-N 2 2 329.448 2.402 10 0 EEAELP C/C(=C/C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)C[NH+]1CCOCC1 ZINC000913756976 794233136 /nfs/dbraw/zinc/23/31/36/794233136.db2.gz IUROHLVMNWQLHG-RBAUTDOXSA-N 2 2 349.519 2.178 10 0 EEAELP C/C(=C/C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1)C[NH+]1CCOCC1 ZINC000913756976 794233140 /nfs/dbraw/zinc/23/31/40/794233140.db2.gz IUROHLVMNWQLHG-RBAUTDOXSA-N 2 2 349.519 2.178 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cn(C)nn1 ZINC000715861858 795543581 /nfs/dbraw/zinc/54/35/81/795543581.db2.gz TWWATEPZPBFURU-DZOHQFGASA-N 2 2 325.460 2.376 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cn(C)nn1 ZINC000715861858 795543586 /nfs/dbraw/zinc/54/35/86/795543586.db2.gz TWWATEPZPBFURU-DZOHQFGASA-N 2 2 325.460 2.376 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cn(C)nn1 ZINC000715861859 795543728 /nfs/dbraw/zinc/54/37/28/795543728.db2.gz TWWATEPZPBFURU-LEUOFYLZSA-N 2 2 325.460 2.376 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cn(C)nn1 ZINC000715861859 795543734 /nfs/dbraw/zinc/54/37/34/795543734.db2.gz TWWATEPZPBFURU-LEUOFYLZSA-N 2 2 325.460 2.376 10 0 EEAELP CCO[C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)C[C@H]1C[NH2+]CC=C(C)C ZINC001565952122 1125471799 /nfs/dbraw/zinc/47/17/99/1125471799.db2.gz KVAWTDIRRBMAJR-RCCFBDPRSA-N 2 2 348.491 2.254 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001566094171 1125557001 /nfs/dbraw/zinc/55/70/01/1125557001.db2.gz HIRADOYYYQVLGO-HCDJPTGHSA-N 2 2 334.464 2.285 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)[C@H]1C ZINC001566094171 1125557006 /nfs/dbraw/zinc/55/70/06/1125557006.db2.gz HIRADOYYYQVLGO-HCDJPTGHSA-N 2 2 334.464 2.285 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)CCOC3CCC3)ccn12 ZINC001566454509 1125614631 /nfs/dbraw/zinc/61/46/31/1125614631.db2.gz YHFIHSVMEOHJLZ-UHFFFAOYSA-N 2 2 344.459 2.264 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)CCOC3CCC3)ccn12 ZINC001566454509 1125614633 /nfs/dbraw/zinc/61/46/33/1125614633.db2.gz YHFIHSVMEOHJLZ-UHFFFAOYSA-N 2 2 344.459 2.264 10 0 EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2nccs2)C1 ZINC001566483911 1125646091 /nfs/dbraw/zinc/64/60/91/1125646091.db2.gz AUEKFOZFVPAESD-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2nccs2)C1 ZINC001566483911 1125646095 /nfs/dbraw/zinc/64/60/95/1125646095.db2.gz AUEKFOZFVPAESD-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@H+](C)Cc2nccs2)C1 ZINC001566483911 1125646097 /nfs/dbraw/zinc/64/60/97/1125646097.db2.gz AUEKFOZFVPAESD-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc2nccs2)C1 ZINC001566483911 1125646100 /nfs/dbraw/zinc/64/61/00/1125646100.db2.gz AUEKFOZFVPAESD-OAHLLOKOSA-N 2 2 338.521 2.203 10 0 EEAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc(C)ccc1F ZINC001566576946 1125759014 /nfs/dbraw/zinc/75/90/14/1125759014.db2.gz FYOSJMSYWDCHEI-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc(C)ccc1F ZINC001566576946 1125759022 /nfs/dbraw/zinc/75/90/22/1125759022.db2.gz FYOSJMSYWDCHEI-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2F)C1 ZINC001436420889 1087781492 /nfs/dbraw/zinc/78/14/92/1087781492.db2.gz FRULDTUQKPDRGZ-QWHCGFSZSA-N 2 2 348.397 2.305 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001437729773 1090285893 /nfs/dbraw/zinc/28/58/93/1090285893.db2.gz MWHPGXRFJZMKAY-BBRMVZONSA-N 2 2 345.447 2.077 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001437729773 1090285896 /nfs/dbraw/zinc/28/58/96/1090285896.db2.gz MWHPGXRFJZMKAY-BBRMVZONSA-N 2 2 345.447 2.077 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001437905748 1090486335 /nfs/dbraw/zinc/48/63/35/1090486335.db2.gz QZGXYMSAAQYXRV-QGZVFWFLSA-N 2 2 345.447 2.001 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001437905748 1090486338 /nfs/dbraw/zinc/48/63/38/1090486338.db2.gz QZGXYMSAAQYXRV-QGZVFWFLSA-N 2 2 345.447 2.001 10 0 EEAELP CC(C)C[C@@H](C(=O)NC[C@@H]1C[N@H+](CC2CCC2)CCO1)n1cc[nH+]c1 ZINC001438573482 1091062231 /nfs/dbraw/zinc/06/22/31/1091062231.db2.gz UPZVLRRMEHGRTH-MSOLQXFVSA-N 2 2 348.491 2.087 10 0 EEAELP CC(C)C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)CCO1)n1cc[nH+]c1 ZINC001438573482 1091062238 /nfs/dbraw/zinc/06/22/38/1091062238.db2.gz UPZVLRRMEHGRTH-MSOLQXFVSA-N 2 2 348.491 2.087 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nc2c(o1)CCCC2 ZINC001445494789 1091271490 /nfs/dbraw/zinc/27/14/90/1091271490.db2.gz BSRQQRAKGZHPDU-ZBFHGGJFSA-N 2 2 348.491 2.022 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445834930 1091728094 /nfs/dbraw/zinc/72/80/94/1091728094.db2.gz ZDMYVJFLTCRINW-FVQBIDKESA-N 2 2 344.434 2.299 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445834930 1091728101 /nfs/dbraw/zinc/72/81/01/1091728101.db2.gz ZDMYVJFLTCRINW-FVQBIDKESA-N 2 2 344.434 2.299 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1c(F)cccc1F ZINC001439409205 1092173700 /nfs/dbraw/zinc/17/37/00/1092173700.db2.gz YQCRPVJRBFSFCR-ZDUSSCGKSA-N 2 2 327.419 2.243 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[NH+](C)Cc1c(F)cccc1F ZINC001439409205 1092173704 /nfs/dbraw/zinc/17/37/04/1092173704.db2.gz YQCRPVJRBFSFCR-ZDUSSCGKSA-N 2 2 327.419 2.243 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1c(F)cccc1F ZINC001439409205 1092173705 /nfs/dbraw/zinc/17/37/05/1092173705.db2.gz YQCRPVJRBFSFCR-ZDUSSCGKSA-N 2 2 327.419 2.243 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1c(F)cccc1F ZINC001439409205 1092173710 /nfs/dbraw/zinc/17/37/10/1092173710.db2.gz YQCRPVJRBFSFCR-ZDUSSCGKSA-N 2 2 327.419 2.243 10 0 EEAELP Cc1cccnc1C[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001439574488 1092466083 /nfs/dbraw/zinc/46/60/83/1092466083.db2.gz VBNODXNFOCCQJB-MJGOQNOKSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cccnc1C[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001439574488 1092466086 /nfs/dbraw/zinc/46/60/86/1092466086.db2.gz VBNODXNFOCCQJB-MJGOQNOKSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001439859737 1092888946 /nfs/dbraw/zinc/88/89/46/1092888946.db2.gz PNCZMGHLCDFVJM-VQIMIIECSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c(C)o1 ZINC001439859737 1092888956 /nfs/dbraw/zinc/88/89/56/1092888956.db2.gz PNCZMGHLCDFVJM-VQIMIIECSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439859737 1092888973 /nfs/dbraw/zinc/88/89/73/1092888973.db2.gz PNCZMGHLCDFVJM-VQIMIIECSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439859737 1092888981 /nfs/dbraw/zinc/88/89/81/1092888981.db2.gz PNCZMGHLCDFVJM-VQIMIIECSA-N 2 2 348.491 2.246 10 0 EEAELP C[C@]1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC[N@H+](CCCF)C1 ZINC001439934068 1093021210 /nfs/dbraw/zinc/02/12/10/1093021210.db2.gz RHDYZNKAUHTNQN-CRAIPNDOSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@]1(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCC[N@@H+](CCCF)C1 ZINC001439934068 1093021217 /nfs/dbraw/zinc/02/12/17/1093021217.db2.gz RHDYZNKAUHTNQN-CRAIPNDOSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@H](C[NH2+]Cc2cncs2)CC1 ZINC001440129953 1093194189 /nfs/dbraw/zinc/19/41/89/1093194189.db2.gz WWZDBQOHBHPYSZ-SHTZXODSSA-N 2 2 347.488 2.052 10 0 EEAELP CC(C)C[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCF)C[C@H]21)n1cc[nH+]c1 ZINC001440192816 1093258488 /nfs/dbraw/zinc/25/84/88/1093258488.db2.gz VJAPXICUOXAORR-YESZJQIVSA-N 2 2 336.455 2.363 10 0 EEAELP CC(C)C[C@@H](C(=O)N1CCC[C@H]2C[N@@H+](CCF)C[C@H]21)n1cc[nH+]c1 ZINC001440192816 1093258494 /nfs/dbraw/zinc/25/84/94/1093258494.db2.gz VJAPXICUOXAORR-YESZJQIVSA-N 2 2 336.455 2.363 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001448422647 1093432884 /nfs/dbraw/zinc/43/28/84/1093432884.db2.gz XNLHOVHEJHLEAW-RDJZCZTQSA-N 2 2 334.508 2.471 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001448422647 1093432889 /nfs/dbraw/zinc/43/28/89/1093432889.db2.gz XNLHOVHEJHLEAW-RDJZCZTQSA-N 2 2 334.508 2.471 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]Cc3conc3C)CCC2)c[nH+]1 ZINC001440315095 1093448412 /nfs/dbraw/zinc/44/84/12/1093448412.db2.gz YYJMJEKVHQEECL-UHFFFAOYSA-N 2 2 345.447 2.052 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]C/C(Cl)=C/Cl)C1 ZINC001440390875 1093565980 /nfs/dbraw/zinc/56/59/80/1093565980.db2.gz QZYVNZAIYWNEEC-DOOVCASASA-N 2 2 345.274 2.467 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001440852082 1094110964 /nfs/dbraw/zinc/11/09/64/1094110964.db2.gz FVJNIEOKLRGRMR-NEPJUHHUSA-N 2 2 336.386 2.153 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001449349633 1094307098 /nfs/dbraw/zinc/30/70/98/1094307098.db2.gz CWGVAUINYKJETM-CQSZACIVSA-N 2 2 346.500 2.441 10 0 EEAELP Cc1conc1C[NH+]1CC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001441189558 1094548604 /nfs/dbraw/zinc/54/86/04/1094548604.db2.gz VANYRNMXIZWDAK-CVEARBPZSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[N@H+](Cc2ccccn2)CC1(C)C)n1cc[nH+]c1 ZINC001441269332 1094679365 /nfs/dbraw/zinc/67/93/65/1094679365.db2.gz JHNDKIQDENFDQP-WBVHZDCISA-N 2 2 341.459 2.256 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[N@@H+](Cc2ccccn2)CC1(C)C)n1cc[nH+]c1 ZINC001441269332 1094679368 /nfs/dbraw/zinc/67/93/68/1094679368.db2.gz JHNDKIQDENFDQP-WBVHZDCISA-N 2 2 341.459 2.256 10 0 EEAELP CC[C@@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001441324762 1094781450 /nfs/dbraw/zinc/78/14/50/1094781450.db2.gz BQAVSJSUDDBZDK-OAGGEKHMSA-N 2 2 327.488 2.388 10 0 EEAELP CC[C@@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001441324762 1094781460 /nfs/dbraw/zinc/78/14/60/1094781460.db2.gz BQAVSJSUDDBZDK-OAGGEKHMSA-N 2 2 327.488 2.388 10 0 EEAELP CC[C@@H](F)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001441324762 1094781470 /nfs/dbraw/zinc/78/14/70/1094781470.db2.gz BQAVSJSUDDBZDK-OAGGEKHMSA-N 2 2 327.488 2.388 10 0 EEAELP CC[C@@H](F)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001441324762 1094781478 /nfs/dbraw/zinc/78/14/78/1094781478.db2.gz BQAVSJSUDDBZDK-OAGGEKHMSA-N 2 2 327.488 2.388 10 0 EEAELP CO[C@H](C[NH2+][C@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001441360680 1094879803 /nfs/dbraw/zinc/87/98/03/1094879803.db2.gz KVZWBBPKWMVRNZ-JKSUJKDBSA-N 2 2 348.491 2.083 10 0 EEAELP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001441593293 1095428238 /nfs/dbraw/zinc/42/82/38/1095428238.db2.gz MWBVQOZAFYOXMW-LSDHHAIUSA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001441593293 1095428243 /nfs/dbraw/zinc/42/82/43/1095428243.db2.gz MWBVQOZAFYOXMW-LSDHHAIUSA-N 2 2 344.459 2.234 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC001441864653 1095971656 /nfs/dbraw/zinc/97/16/56/1095971656.db2.gz FYNIBDUTLSDTJB-IUODEOHRSA-N 2 2 346.500 2.418 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1 ZINC001441893493 1096034284 /nfs/dbraw/zinc/03/42/84/1096034284.db2.gz DEHMUDZXRJQIGH-CABCVRRESA-N 2 2 347.488 2.195 10 0 EEAELP CC(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1(C)C ZINC001441939326 1096133528 /nfs/dbraw/zinc/13/35/28/1096133528.db2.gz ZYAIGJDHPBNANH-BFYDXBDKSA-N 2 2 332.492 2.396 10 0 EEAELP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001442191323 1096465804 /nfs/dbraw/zinc/46/58/04/1096465804.db2.gz CQDQNDJPSGAGFQ-IAGOWNOFSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001442191323 1096465806 /nfs/dbraw/zinc/46/58/06/1096465806.db2.gz CQDQNDJPSGAGFQ-IAGOWNOFSA-N 2 2 332.492 2.414 10 0 EEAELP Cc1nc(C[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C2CC2)sc1C ZINC001443060470 1097468806 /nfs/dbraw/zinc/46/88/06/1097468806.db2.gz IWYGPFPRISDMMD-UHFFFAOYSA-N 2 2 338.521 2.181 10 0 EEAELP Cc1nc(C[NH+](CCNC(=O)C[N@H+](C)C(C)C)C2CC2)sc1C ZINC001443060470 1097468808 /nfs/dbraw/zinc/46/88/08/1097468808.db2.gz IWYGPFPRISDMMD-UHFFFAOYSA-N 2 2 338.521 2.181 10 0 EEAELP Cc1nc(C[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C2CC2)sc1C ZINC001443060470 1097468812 /nfs/dbraw/zinc/46/88/12/1097468812.db2.gz IWYGPFPRISDMMD-UHFFFAOYSA-N 2 2 338.521 2.181 10 0 EEAELP Cc1nc(C[N@H+](CCNC(=O)C[NH+](C)C(C)C)C2CC2)sc1C ZINC001443060470 1097468816 /nfs/dbraw/zinc/46/88/16/1097468816.db2.gz IWYGPFPRISDMMD-UHFFFAOYSA-N 2 2 338.521 2.181 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001443190492 1097636572 /nfs/dbraw/zinc/63/65/72/1097636572.db2.gz JFWZBFWZXCCNEH-HZPDHXFCSA-N 2 2 336.480 2.309 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001443190492 1097636575 /nfs/dbraw/zinc/63/65/75/1097636575.db2.gz JFWZBFWZXCCNEH-HZPDHXFCSA-N 2 2 336.480 2.309 10 0 EEAELP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001443230848 1097692330 /nfs/dbraw/zinc/69/23/30/1097692330.db2.gz AOBUROGAUFTDRB-SJORKVTESA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001443230848 1097692335 /nfs/dbraw/zinc/69/23/35/1097692335.db2.gz AOBUROGAUFTDRB-SJORKVTESA-N 2 2 332.492 2.320 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](Cc2nc(C)cs2)C1)[NH+](C)C ZINC001443876445 1098402469 /nfs/dbraw/zinc/40/24/69/1098402469.db2.gz WQOCAPFTRLGQID-HUUCEWRRSA-N 2 2 338.521 2.215 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1)[NH+](C)C ZINC001443876445 1098402473 /nfs/dbraw/zinc/40/24/73/1098402473.db2.gz WQOCAPFTRLGQID-HUUCEWRRSA-N 2 2 338.521 2.215 10 0 EEAELP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1scnc1C ZINC001443948639 1098468381 /nfs/dbraw/zinc/46/83/81/1098468381.db2.gz SKHAEJZYOZYBMK-CQSZACIVSA-N 2 2 349.504 2.376 10 0 EEAELP COC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001479736646 1098846393 /nfs/dbraw/zinc/84/63/93/1098846393.db2.gz MWEJVQCJRJRWAB-HOTGVXAUSA-N 2 2 344.459 2.296 10 0 EEAELP COC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001479736646 1098846405 /nfs/dbraw/zinc/84/64/05/1098846405.db2.gz MWEJVQCJRJRWAB-HOTGVXAUSA-N 2 2 344.459 2.296 10 0 EEAELP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001444340476 1098904540 /nfs/dbraw/zinc/90/45/40/1098904540.db2.gz AVMZGMWFRRPTOK-KBPBESRZSA-N 2 2 342.434 2.130 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc(Cl)c(F)c1 ZINC001479798734 1099022155 /nfs/dbraw/zinc/02/21/55/1099022155.db2.gz FOZJJKOXKWIMQR-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc(Cl)c(F)c1 ZINC001479798734 1099022163 /nfs/dbraw/zinc/02/21/63/1099022163.db2.gz FOZJJKOXKWIMQR-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP Cc1ncc(C[NH2+]C2(CNC(=O)CCc3c[nH]c[nH+]3)CCCC2)s1 ZINC001444500896 1099229583 /nfs/dbraw/zinc/22/95/83/1099229583.db2.gz QGQBRZLXWYTGSB-UHFFFAOYSA-N 2 2 347.488 2.326 10 0 EEAELP Cc1ncc(C[NH2+]C2(CNC(=O)CCc3c[nH+]c[nH]3)CCCC2)s1 ZINC001444500896 1099229597 /nfs/dbraw/zinc/22/95/97/1099229597.db2.gz QGQBRZLXWYTGSB-UHFFFAOYSA-N 2 2 347.488 2.326 10 0 EEAELP CCc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001444605890 1099432587 /nfs/dbraw/zinc/43/25/87/1099432587.db2.gz SXDGNQQGSNWJMS-GOEBONIOSA-N 2 2 336.480 2.046 10 0 EEAELP CCc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001444605890 1099432590 /nfs/dbraw/zinc/43/25/90/1099432590.db2.gz SXDGNQQGSNWJMS-GOEBONIOSA-N 2 2 336.480 2.046 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001479988550 1099449157 /nfs/dbraw/zinc/44/91/57/1099449157.db2.gz RAHIDDJPCWXODG-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001444633981 1099461049 /nfs/dbraw/zinc/46/10/49/1099461049.db2.gz MFRDQYWUZIQAKZ-ZDUSSCGKSA-N 2 2 347.463 2.114 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001444679268 1099523400 /nfs/dbraw/zinc/52/34/00/1099523400.db2.gz GSSWZRYKWBNWNV-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@@H]([NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)c1ccc(F)c(F)c1 ZINC001480068233 1099603098 /nfs/dbraw/zinc/60/30/98/1099603098.db2.gz FJAXAJZOTRIYRL-PXAZEXFGSA-N 2 2 348.397 2.407 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001480123031 1099687576 /nfs/dbraw/zinc/68/75/76/1099687576.db2.gz PPUWWNDBMIKWKX-SFHVURJKSA-N 2 2 326.444 2.097 10 0 EEAELP CC[C@H](F)C[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001444840253 1099804977 /nfs/dbraw/zinc/80/49/77/1099804977.db2.gz PTBNDJCITSISHC-INIZCTEOSA-N 2 2 338.471 2.271 10 0 EEAELP CC[C@H](F)C[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001444840253 1099804986 /nfs/dbraw/zinc/80/49/86/1099804986.db2.gz PTBNDJCITSISHC-INIZCTEOSA-N 2 2 338.471 2.271 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C1)c1ccc(F)cc1 ZINC001480208460 1099814832 /nfs/dbraw/zinc/81/48/32/1099814832.db2.gz WHTMSGDANXYDNA-JLZZUVOBSA-N 2 2 330.407 2.479 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C1)c1ccc(F)cc1 ZINC001480208460 1099814835 /nfs/dbraw/zinc/81/48/35/1099814835.db2.gz WHTMSGDANXYDNA-JLZZUVOBSA-N 2 2 330.407 2.479 10 0 EEAELP COCCCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001480356467 1100127057 /nfs/dbraw/zinc/12/70/57/1100127057.db2.gz WWXKGULWUFEVAR-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP Cc1cnc(C[NH2+]C2CCC(NC(=O)C[C@@H](C)n3cc[nH+]c3)CC2)o1 ZINC001480408489 1100223602 /nfs/dbraw/zinc/22/36/02/1100223602.db2.gz PJHANVUOYMQQGA-IUDNXUCKSA-N 2 2 345.447 2.348 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001480560119 1100402717 /nfs/dbraw/zinc/40/27/17/1100402717.db2.gz BUYXOKVBEBEHIG-JDFRZJQESA-N 2 2 348.397 2.095 10 0 EEAELP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CCCC1 ZINC001446491180 1100930720 /nfs/dbraw/zinc/93/07/20/1100930720.db2.gz BVIHQYSHHUUMGY-BRWVUGGUSA-N 2 2 332.492 2.444 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001495668665 1101409009 /nfs/dbraw/zinc/40/90/09/1101409009.db2.gz OMZYEOUSPWQFEJ-WMLDXEAASA-N 2 2 333.480 2.098 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001495668665 1101409015 /nfs/dbraw/zinc/40/90/15/1101409015.db2.gz OMZYEOUSPWQFEJ-WMLDXEAASA-N 2 2 333.480 2.098 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001495747883 1101525532 /nfs/dbraw/zinc/52/55/32/1101525532.db2.gz OCNDWIIUBIDRBT-CVEARBPZSA-N 2 2 340.471 2.099 10 0 EEAELP CO[C@@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001446969434 1101680384 /nfs/dbraw/zinc/68/03/84/1101680384.db2.gz QGWLFHCCIUPEJN-SMLCLMEVSA-N 2 2 348.491 2.060 10 0 EEAELP CO[C@@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001446969434 1101680394 /nfs/dbraw/zinc/68/03/94/1101680394.db2.gz QGWLFHCCIUPEJN-SMLCLMEVSA-N 2 2 348.491 2.060 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001497218981 1102142596 /nfs/dbraw/zinc/14/25/96/1102142596.db2.gz XSEQODYSKHCISP-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)Cc1c[nH+]cn1C ZINC001497305021 1102287445 /nfs/dbraw/zinc/28/74/45/1102287445.db2.gz SUKXPCBHUREQFC-KBXCAEBGSA-N 2 2 326.444 2.135 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001447391134 1102579572 /nfs/dbraw/zinc/57/95/72/1102579572.db2.gz XFAQVWMDXPTSOW-WMZOPIPTSA-N 2 2 345.487 2.049 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001497693239 1102914539 /nfs/dbraw/zinc/91/45/39/1102914539.db2.gz VKNQZRQPPONCRR-OSJSJHBBSA-N 2 2 334.464 2.008 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001497693239 1102914545 /nfs/dbraw/zinc/91/45/45/1102914545.db2.gz VKNQZRQPPONCRR-OSJSJHBBSA-N 2 2 334.464 2.008 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001497715514 1102955776 /nfs/dbraw/zinc/95/57/76/1102955776.db2.gz UJRXWALALFMIDC-AIMAZDRCSA-N 2 2 346.381 2.180 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C[C@H]1CC[C@@H](C)O1)C(C)C ZINC001493875522 1103011306 /nfs/dbraw/zinc/01/13/06/1103011306.db2.gz QMWVPSOSVPXGFS-GDBMZVCRSA-N 2 2 336.480 2.045 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C[C@H]1CC[C@@H](C)O1)C(C)C ZINC001493875522 1103011320 /nfs/dbraw/zinc/01/13/20/1103011320.db2.gz QMWVPSOSVPXGFS-GDBMZVCRSA-N 2 2 336.480 2.045 10 0 EEAELP CCc1nc(C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cs1 ZINC001497927109 1103351033 /nfs/dbraw/zinc/35/10/33/1103351033.db2.gz LRABFSXCPSAQAX-CHWSQXEVSA-N 2 2 335.477 2.148 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001447873976 1103490031 /nfs/dbraw/zinc/49/00/31/1103490031.db2.gz INCQXQMGPVHNPS-KBPBESRZSA-N 2 2 347.463 2.160 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1 ZINC001447885843 1103517270 /nfs/dbraw/zinc/51/72/70/1103517270.db2.gz QPELMULWNSKGRP-HOTGVXAUSA-N 2 2 341.455 2.358 10 0 EEAELP CCCc1nc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2c[nH+]cc2C)cs1 ZINC001447886705 1103519593 /nfs/dbraw/zinc/51/95/93/1103519593.db2.gz ZYBVAYHYBOFHSK-ZIAGYGMSSA-N 2 2 349.504 2.284 10 0 EEAELP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)cc1F ZINC001447890286 1103527465 /nfs/dbraw/zinc/52/74/65/1103527465.db2.gz UEXMWRFMMQLWHL-KGLIPLIRSA-N 2 2 348.422 2.104 10 0 EEAELP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140144 1103589385 /nfs/dbraw/zinc/58/93/85/1103589385.db2.gz GSMCDSACAZLOME-IAGOWNOFSA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140144 1103589389 /nfs/dbraw/zinc/58/93/89/1103589389.db2.gz GSMCDSACAZLOME-IAGOWNOFSA-N 2 2 332.492 2.416 10 0 EEAELP CN(CC(C)(C)C[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001447970811 1103705304 /nfs/dbraw/zinc/70/53/04/1103705304.db2.gz MCRJYQUHJCOOON-ZDUSSCGKSA-N 2 2 342.434 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCC1CCCC1 ZINC001448043905 1103881954 /nfs/dbraw/zinc/88/19/54/1103881954.db2.gz IZXGLSUXKBSOIV-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCC1CCCC1 ZINC001448043905 1103881963 /nfs/dbraw/zinc/88/19/63/1103881963.db2.gz IZXGLSUXKBSOIV-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCc1ccccc1 ZINC001448047243 1103889011 /nfs/dbraw/zinc/88/90/11/1103889011.db2.gz OTAZTQVCBYNTJI-SJLPKXTDSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCc1ccccc1 ZINC001448047243 1103889023 /nfs/dbraw/zinc/88/90/23/1103889023.db2.gz OTAZTQVCBYNTJI-SJLPKXTDSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](CCN(C)C(=O)Cc2[nH]c[nH+]c2C)C(C)C)o1 ZINC001448228784 1104216260 /nfs/dbraw/zinc/21/62/60/1104216260.db2.gz ZGZYUFNBOGVDJZ-INIZCTEOSA-N 2 2 347.463 2.220 10 0 EEAELP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001494834316 1104431412 /nfs/dbraw/zinc/43/14/12/1104431412.db2.gz MBEGHVARMLZNSV-CQSZACIVSA-N 2 2 340.443 2.022 10 0 EEAELP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001494834316 1104431418 /nfs/dbraw/zinc/43/14/18/1104431418.db2.gz MBEGHVARMLZNSV-CQSZACIVSA-N 2 2 340.443 2.022 10 0 EEAELP CCc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001480734721 1107007836 /nfs/dbraw/zinc/00/78/36/1107007836.db2.gz LCMKPWGWGXOUQT-OAHLLOKOSA-N 2 2 338.521 2.080 10 0 EEAELP CCc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001480734721 1107007847 /nfs/dbraw/zinc/00/78/47/1107007847.db2.gz LCMKPWGWGXOUQT-OAHLLOKOSA-N 2 2 338.521 2.080 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)sn1 ZINC001480774045 1107089586 /nfs/dbraw/zinc/08/95/86/1107089586.db2.gz WXWRZMPSFIDKDW-GFCCVEGCSA-N 2 2 349.504 2.376 10 0 EEAELP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498573146 1107744573 /nfs/dbraw/zinc/74/45/73/1107744573.db2.gz WVNJVIKWISADGR-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC001493390040 1108054413 /nfs/dbraw/zinc/05/44/13/1108054413.db2.gz DUOGHNMMVISLDB-UHFFFAOYSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC001493390040 1108054427 /nfs/dbraw/zinc/05/44/27/1108054427.db2.gz DUOGHNMMVISLDB-UHFFFAOYSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@H](NC(=O)Cc2c[nH+]cn2C)C2CC2)c1 ZINC001498848489 1108217593 /nfs/dbraw/zinc/21/75/93/1108217593.db2.gz DYPMJBXJOSZNIY-SFHVURJKSA-N 2 2 344.434 2.095 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]Cc3c(C)noc3C)ccn12 ZINC001493543729 1108289885 /nfs/dbraw/zinc/28/98/85/1108289885.db2.gz HBDCGUAQEOJMOR-UHFFFAOYSA-N 2 2 341.415 2.109 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493600618 1108382641 /nfs/dbraw/zinc/38/26/41/1108382641.db2.gz OQAWZHNQQSDWPP-AWEZNQCLSA-N 2 2 336.480 2.004 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001493600618 1108382655 /nfs/dbraw/zinc/38/26/55/1108382655.db2.gz OQAWZHNQQSDWPP-AWEZNQCLSA-N 2 2 336.480 2.004 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1C)[NH+](CC)CC ZINC001499059163 1108520127 /nfs/dbraw/zinc/52/01/27/1108520127.db2.gz XYCSRLSGGVVVMH-DOTOQJQBSA-N 2 2 336.480 2.102 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1C)[NH+](CC)CC ZINC001499059163 1108520134 /nfs/dbraw/zinc/52/01/34/1108520134.db2.gz XYCSRLSGGVVVMH-DOTOQJQBSA-N 2 2 336.480 2.102 10 0 EEAELP CC(=O)Oc1ccc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001473792328 1110581108 /nfs/dbraw/zinc/58/11/08/1110581108.db2.gz GZKXEHFLWJSCEY-UHFFFAOYSA-N 2 2 332.444 2.345 10 0 EEAELP CC1(C)OC[C@@H](C[N@@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)O1 ZINC001473830463 1110581817 /nfs/dbraw/zinc/58/18/17/1110581817.db2.gz XVUPMCNXJYIJQO-LJQANCHMSA-N 2 2 348.487 2.362 10 0 EEAELP CC1(C)OC[C@@H](C[N@H+]2CCC[NH+](Cc3ccccc3)CCOCC2)O1 ZINC001473830463 1110581819 /nfs/dbraw/zinc/58/18/19/1110581819.db2.gz XVUPMCNXJYIJQO-LJQANCHMSA-N 2 2 348.487 2.362 10 0 EEAELP CC1(C)OC[C@@H](C[NH+]2CCC[N@H+](Cc3ccccc3)CCOCC2)O1 ZINC001473830463 1110581820 /nfs/dbraw/zinc/58/18/20/1110581820.db2.gz XVUPMCNXJYIJQO-LJQANCHMSA-N 2 2 348.487 2.362 10 0 EEAELP CC1(C)OC[C@@H](C[NH+]2CCC[N@@H+](Cc3ccccc3)CCOCC2)O1 ZINC001473830463 1110581823 /nfs/dbraw/zinc/58/18/23/1110581823.db2.gz XVUPMCNXJYIJQO-LJQANCHMSA-N 2 2 348.487 2.362 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCc1ccccc1F ZINC001479232434 1110663930 /nfs/dbraw/zinc/66/39/30/1110663930.db2.gz XKJNKRMJRQMWAQ-KRWDZBQOSA-N 2 2 344.434 2.106 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H]1CC[N@H+]1CCc1ccccc1F ZINC001479232434 1110663932 /nfs/dbraw/zinc/66/39/32/1110663932.db2.gz XKJNKRMJRQMWAQ-KRWDZBQOSA-N 2 2 344.434 2.106 10 0 EEAELP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001499269087 1112209871 /nfs/dbraw/zinc/20/98/71/1112209871.db2.gz OGXSTXLMJVTWCK-APHBUQMISA-N 2 2 330.476 2.430 10 0 EEAELP COCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001499482098 1112313241 /nfs/dbraw/zinc/31/32/41/1112313241.db2.gz UBRAIIRKYXPDBL-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP COCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001499482098 1112313247 /nfs/dbraw/zinc/31/32/47/1112313247.db2.gz UBRAIIRKYXPDBL-ROUUACIJSA-N 2 2 348.491 2.013 10 0 EEAELP COCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001499482097 1112314105 /nfs/dbraw/zinc/31/41/05/1112314105.db2.gz UBRAIIRKYXPDBL-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP COCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001499482097 1112314110 /nfs/dbraw/zinc/31/41/10/1112314110.db2.gz UBRAIIRKYXPDBL-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP COCC[NH2+]C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001500097176 1112614916 /nfs/dbraw/zinc/61/49/16/1112614916.db2.gz QPPSNCMDZOWPQJ-KRWDZBQOSA-N 2 2 330.432 2.088 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001500552758 1112943035 /nfs/dbraw/zinc/94/30/35/1112943035.db2.gz KYESIDFUHJTABD-PKOBYXMFSA-N 2 2 348.491 2.267 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001500552758 1112943037 /nfs/dbraw/zinc/94/30/37/1112943037.db2.gz KYESIDFUHJTABD-PKOBYXMFSA-N 2 2 348.491 2.267 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccon2)C1 ZINC001500552758 1112943041 /nfs/dbraw/zinc/94/30/41/1112943041.db2.gz KYESIDFUHJTABD-PKOBYXMFSA-N 2 2 348.491 2.267 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[N@@H+](Cc2ccon2)C1 ZINC001500552758 1112943044 /nfs/dbraw/zinc/94/30/44/1112943044.db2.gz KYESIDFUHJTABD-PKOBYXMFSA-N 2 2 348.491 2.267 10 0 EEAELP C[C@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001505416430 1113950268 /nfs/dbraw/zinc/95/02/68/1113950268.db2.gz IVJNYQHHDBXNHO-WBHUJUFNSA-N 2 2 330.407 2.072 10 0 EEAELP CC(C)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001505416847 1113951098 /nfs/dbraw/zinc/95/10/98/1113951098.db2.gz ZLSSTFYIHOIPJG-VQIMIIECSA-N 2 2 326.444 2.370 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001505697215 1114136849 /nfs/dbraw/zinc/13/68/49/1114136849.db2.gz DXGKKCJWGCWVLC-HZPDHXFCSA-N 2 2 344.459 2.131 10 0 EEAELP CCc1ccccc1CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1[nH]cc[nH+]1 ZINC001505719575 1114149941 /nfs/dbraw/zinc/14/99/41/1114149941.db2.gz DNSBBJKASAHABJ-CABCVRRESA-N 2 2 328.460 2.240 10 0 EEAELP Cc1nc(CC[NH2+]CC(C)(C)CN(C)C(=O)Cc2[nH]cc[nH+]2)cs1 ZINC001505841938 1114227933 /nfs/dbraw/zinc/22/79/33/1114227933.db2.gz PYMMQUAGKDIHCQ-UHFFFAOYSA-N 2 2 349.504 2.034 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)Cc1ccccc1C1CC1 ZINC001506069901 1114393826 /nfs/dbraw/zinc/39/38/26/1114393826.db2.gz YHERTAIDZBTLLS-OAHLLOKOSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1C1CC1 ZINC001506069901 1114393830 /nfs/dbraw/zinc/39/38/30/1114393830.db2.gz YHERTAIDZBTLLS-OAHLLOKOSA-N 2 2 326.444 2.397 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]C[C@@H]2CCOC2)CCCCC1 ZINC001506520701 1114669566 /nfs/dbraw/zinc/66/95/66/1114669566.db2.gz ITPNPJTXNGHHQI-HOTGVXAUSA-N 2 2 348.491 2.034 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]C[C@@H]2CCOC2)CCCCC1 ZINC001506520701 1114669570 /nfs/dbraw/zinc/66/95/70/1114669570.db2.gz ITPNPJTXNGHHQI-HOTGVXAUSA-N 2 2 348.491 2.034 10 0 EEAELP C[C@H](CCC[NH2+]CC1CCOCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001506929483 1114981389 /nfs/dbraw/zinc/98/13/89/1114981389.db2.gz FOLRBZQEWIPGQR-OAHLLOKOSA-N 2 2 344.459 2.249 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@@H]([NH2+]CCCCCF)[C@@H]2C1 ZINC001507367700 1115226892 /nfs/dbraw/zinc/22/68/92/1115226892.db2.gz ZCKWNLXSUSHCRN-ARFHVFGLSA-N 2 2 336.455 2.309 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)o1 ZINC001508209475 1115445544 /nfs/dbraw/zinc/44/55/44/1115445544.db2.gz VXMHXAVRJGVTCS-RDJZCZTQSA-N 2 2 348.491 2.379 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)o1 ZINC001508209475 1115445545 /nfs/dbraw/zinc/44/55/45/1115445545.db2.gz VXMHXAVRJGVTCS-RDJZCZTQSA-N 2 2 348.491 2.379 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001568331394 1124422862 /nfs/dbraw/zinc/42/28/62/1124422862.db2.gz QJCMBMYDPKWTSZ-QWZUFBECSA-N 2 2 338.883 2.319 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CC[C@@H]1CCCO1)C1CCCCC1 ZINC001568346581 1124429674 /nfs/dbraw/zinc/42/96/74/1124429674.db2.gz KGMLTABNPISUGO-IRXDYDNUSA-N 2 2 348.491 2.176 10 0 EEAELP CC(C)OCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568531159 1124592777 /nfs/dbraw/zinc/59/27/77/1124592777.db2.gz NKFAIIRVFNKHFC-ZBFHGGJFSA-N 2 2 344.459 2.476 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1ccc(F)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568873461 1124898882 /nfs/dbraw/zinc/89/88/82/1124898882.db2.gz MWUKHEHDHWDSMJ-STOZHHMFSA-N 2 2 342.418 2.047 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1cccc2cccnc21)C1CC1 ZINC001569330700 1125234147 /nfs/dbraw/zinc/23/41/47/1125234147.db2.gz FKJAFFLLCLFFPE-GOSISDBHSA-N 2 2 349.438 2.116 10 0 EEAELP COc1cc(C[NH2+]CCc2cn3c([nH+]2)CCCC3)cc2c1OCCO2 ZINC000097731797 219052254 /nfs/dbraw/zinc/05/22/54/219052254.db2.gz WKQZKXNBGPIODP-UHFFFAOYSA-N 2 2 343.427 2.332 10 0 EEAELP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)nc(C)[nH+]1 ZINC000284533292 539719829 /nfs/dbraw/zinc/71/98/29/539719829.db2.gz DKWJUQUAEGCWHR-MAUKXSAKSA-N 2 2 328.464 2.346 10 0 EEAELP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)nc(C)[nH+]1 ZINC000284533292 539719833 /nfs/dbraw/zinc/71/98/33/539719833.db2.gz DKWJUQUAEGCWHR-MAUKXSAKSA-N 2 2 328.464 2.346 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(I)o1 ZINC000037320231 213140816 /nfs/dbraw/zinc/14/08/16/213140816.db2.gz OAFNLZXNVHLSTJ-SECBINFHSA-N 2 2 331.157 2.259 10 0 EEAELP COc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CCC[NH+](C)C)[C@@H](C)C2)cc1 ZINC000036124861 213070920 /nfs/dbraw/zinc/07/09/20/213070920.db2.gz PMWXRQLYASSHFP-IYBDPMFKSA-N 2 2 333.476 2.182 10 0 EEAELP COc1ccc(C(=O)N2C[C@@H](C)[N@H+](CCC[NH+](C)C)[C@@H](C)C2)cc1 ZINC000036124861 213070921 /nfs/dbraw/zinc/07/09/21/213070921.db2.gz PMWXRQLYASSHFP-IYBDPMFKSA-N 2 2 333.476 2.182 10 0 EEAELP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000193314318 240103462 /nfs/dbraw/zinc/10/34/62/240103462.db2.gz JPMNXQHTAPCCSM-OLZOCXBDSA-N 2 2 325.403 2.173 10 0 EEAELP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000193314318 240103465 /nfs/dbraw/zinc/10/34/65/240103465.db2.gz JPMNXQHTAPCCSM-OLZOCXBDSA-N 2 2 325.403 2.173 10 0 EEAELP Brc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422766600 240215127 /nfs/dbraw/zinc/21/51/27/240215127.db2.gz RZFFJNNSDGBYIM-JKSUJKDBSA-N 2 2 339.277 2.348 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1c[nH+]ccc1N ZINC000422790101 240225530 /nfs/dbraw/zinc/22/55/30/240225530.db2.gz USPQUKFGAHOVTC-CYBMUJFWSA-N 2 2 330.407 2.321 10 0 EEAELP CN(C)c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccccc2n1 ZINC000422801048 240233856 /nfs/dbraw/zinc/23/38/56/240233856.db2.gz AXUVBFPLGNYNNI-AZUAARDMSA-N 2 2 340.471 2.157 10 0 EEAELP O=C(Nc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1)C1CCC1 ZINC000422809585 240238553 /nfs/dbraw/zinc/23/85/53/240238553.db2.gz SFLQVBMHDFZSRI-MOPGFXCFSA-N 2 2 343.471 2.282 10 0 EEAELP COc1ccc([C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422946667 240303109 /nfs/dbraw/zinc/30/31/09/240303109.db2.gz XBFGBQAVAGUFPJ-IPELMVKDSA-N 2 2 326.444 2.359 10 0 EEAELP C[C@@H]([NH2+]CC1(C[NH+]2CCOCC2)CCCCC1)c1c[nH+]ccc1N ZINC000422846059 240256551 /nfs/dbraw/zinc/25/65/51/240256551.db2.gz DQOHFFMGFWRASL-MRXNPFEDSA-N 3 2 332.492 2.427 10 0 EEAELP FC(F)(F)COc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422879734 240272022 /nfs/dbraw/zinc/27/20/22/240272022.db2.gz KXUDKANSENIESC-HOTGVXAUSA-N 2 2 344.377 2.484 10 0 EEAELP COc1ccc([C@H]([NH2+]CCn2cnnc2C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422912584 240290656 /nfs/dbraw/zinc/29/06/56/240290656.db2.gz NLYUXIIYIZWPRC-ROUUACIJSA-N 2 2 341.459 2.247 10 0 EEAELP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423060434 240346171 /nfs/dbraw/zinc/34/61/71/240346171.db2.gz IGPMLEQGXVJAGS-FRYIKTPZSA-N 3 2 331.504 2.383 10 0 EEAELP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423060434 240346176 /nfs/dbraw/zinc/34/61/76/240346176.db2.gz IGPMLEQGXVJAGS-FRYIKTPZSA-N 3 2 331.504 2.383 10 0 EEAELP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000425339988 241130092 /nfs/dbraw/zinc/13/00/92/241130092.db2.gz DHTSWACYNSBBHE-ZWKOTPCHSA-N 2 2 336.501 2.381 10 0 EEAELP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cncn1Cc1ccccc1 ZINC000445813946 242133695 /nfs/dbraw/zinc/13/36/95/242133695.db2.gz PJARQJPUENQHSY-UHFFFAOYSA-N 2 2 341.503 2.001 10 0 EEAELP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cncn1Cc1ccccc1 ZINC000445813946 242133701 /nfs/dbraw/zinc/13/37/01/242133701.db2.gz PJARQJPUENQHSY-UHFFFAOYSA-N 2 2 341.503 2.001 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)c1ccccc1OCC[NH+](C)C ZINC000456369899 244234322 /nfs/dbraw/zinc/23/43/22/244234322.db2.gz DLICQAKHVQFLTF-AWEZNQCLSA-N 2 2 330.432 2.334 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3[C@@H]4CC[C@H]3CC(O)C4)c2cc1C ZINC000111317766 220138932 /nfs/dbraw/zinc/13/89/32/220138932.db2.gz MRBXEENHOTXONW-WFVVYAPDSA-N 2 2 329.444 2.002 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3[C@@H]4CC[C@H]3CC(O)C4)c2cc1C ZINC000111317766 220138936 /nfs/dbraw/zinc/13/89/36/220138936.db2.gz MRBXEENHOTXONW-WFVVYAPDSA-N 2 2 329.444 2.002 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3c(C)csc3n2)[C@H](C)C1 ZINC000081096089 217361444 /nfs/dbraw/zinc/36/14/44/217361444.db2.gz YWUWVBOGXAWOJI-IUODEOHRSA-N 2 2 334.489 2.227 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3c(C)csc3n2)[C@H](C)C1 ZINC000081096089 217361446 /nfs/dbraw/zinc/36/14/46/217361446.db2.gz YWUWVBOGXAWOJI-IUODEOHRSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3c(C)csc3n2)[C@H](C)C1 ZINC000081096089 217361449 /nfs/dbraw/zinc/36/14/49/217361449.db2.gz YWUWVBOGXAWOJI-IUODEOHRSA-N 2 2 334.489 2.227 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3c(C)csc3n2)[C@H](C)C1 ZINC000081096089 217361452 /nfs/dbraw/zinc/36/14/52/217361452.db2.gz YWUWVBOGXAWOJI-IUODEOHRSA-N 2 2 334.489 2.227 10 0 EEAELP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH+]1CCC(C)CC1 ZINC000271309288 256231888 /nfs/dbraw/zinc/23/18/88/256231888.db2.gz KZKWEIMADQRPFG-OAHLLOKOSA-N 2 2 327.432 2.118 10 0 EEAELP COCc1noc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000299742718 258009565 /nfs/dbraw/zinc/00/95/65/258009565.db2.gz IPXRLEHBKJZFRX-ZDUSSCGKSA-N 2 2 331.420 2.047 10 0 EEAELP COCc1noc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)n1 ZINC000299742718 258009566 /nfs/dbraw/zinc/00/95/66/258009566.db2.gz IPXRLEHBKJZFRX-ZDUSSCGKSA-N 2 2 331.420 2.047 10 0 EEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374213788 154007369 /nfs/dbraw/zinc/00/73/69/154007369.db2.gz VXUHGOLMYADIIX-GFCCVEGCSA-N 2 2 342.399 2.345 10 0 EEAELP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C1CCOCC1 ZINC000249189825 160376561 /nfs/dbraw/zinc/37/65/61/160376561.db2.gz NEOHAQBTSZZXQU-DBVUQKKJSA-N 2 2 347.503 2.323 10 0 EEAELP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C1CCOCC1 ZINC000249189825 160376562 /nfs/dbraw/zinc/37/65/62/160376562.db2.gz NEOHAQBTSZZXQU-DBVUQKKJSA-N 2 2 347.503 2.323 10 0 EEAELP C[N@H+](CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000186439129 160070450 /nfs/dbraw/zinc/07/04/50/160070450.db2.gz UIHNETSTHPQBAN-UHFFFAOYSA-N 2 2 345.491 2.178 10 0 EEAELP C[N@@H+](CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000186439129 160070452 /nfs/dbraw/zinc/07/04/52/160070452.db2.gz UIHNETSTHPQBAN-UHFFFAOYSA-N 2 2 345.491 2.178 10 0 EEAELP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617518 160183729 /nfs/dbraw/zinc/18/37/29/160183729.db2.gz MJJIXNQHVZHQLZ-OIISXLGYSA-N 2 2 341.455 2.446 10 0 EEAELP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617518 160183731 /nfs/dbraw/zinc/18/37/31/160183731.db2.gz MJJIXNQHVZHQLZ-OIISXLGYSA-N 2 2 341.455 2.446 10 0 EEAELP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193617518 160183733 /nfs/dbraw/zinc/18/37/33/160183733.db2.gz MJJIXNQHVZHQLZ-OIISXLGYSA-N 2 2 341.455 2.446 10 0 EEAELP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193617518 160183734 /nfs/dbraw/zinc/18/37/34/160183734.db2.gz MJJIXNQHVZHQLZ-OIISXLGYSA-N 2 2 341.455 2.446 10 0 EEAELP CN(C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000193650756 160184929 /nfs/dbraw/zinc/18/49/29/160184929.db2.gz HJFAUKBXTZNPQL-ZIFCJYIRSA-N 2 2 327.472 2.016 10 0 EEAELP CN(C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000193650756 160184930 /nfs/dbraw/zinc/18/49/30/160184930.db2.gz HJFAUKBXTZNPQL-ZIFCJYIRSA-N 2 2 327.472 2.016 10 0 EEAELP CN(C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000193650756 160184931 /nfs/dbraw/zinc/18/49/31/160184931.db2.gz HJFAUKBXTZNPQL-ZIFCJYIRSA-N 2 2 327.472 2.016 10 0 EEAELP CN(C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)[C@@H]1CCCc2ccccc21 ZINC000193650756 160184932 /nfs/dbraw/zinc/18/49/32/160184932.db2.gz HJFAUKBXTZNPQL-ZIFCJYIRSA-N 2 2 327.472 2.016 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1N1CCOCC1 ZINC000246428680 160279005 /nfs/dbraw/zinc/27/90/05/160279005.db2.gz LCDOAVATWCTLMS-VQIMIIECSA-N 2 2 326.444 2.025 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1N1CCOCC1 ZINC000246428680 160279007 /nfs/dbraw/zinc/27/90/07/160279007.db2.gz LCDOAVATWCTLMS-VQIMIIECSA-N 2 2 326.444 2.025 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2cc1C ZINC000246745169 160292146 /nfs/dbraw/zinc/29/21/46/160292146.db2.gz MYSBEYQKFVBDEX-RCCFBDPRSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1C ZINC000246745169 160292148 /nfs/dbraw/zinc/29/21/48/160292148.db2.gz MYSBEYQKFVBDEX-RCCFBDPRSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c2cc1C ZINC000246745169 160292150 /nfs/dbraw/zinc/29/21/50/160292150.db2.gz MYSBEYQKFVBDEX-RCCFBDPRSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H]3CC[NH+](C)[C@@H](C)C3)c2cc1C ZINC000246745169 160292151 /nfs/dbraw/zinc/29/21/51/160292151.db2.gz MYSBEYQKFVBDEX-RCCFBDPRSA-N 3 2 344.503 2.429 10 0 EEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247361176 160321895 /nfs/dbraw/zinc/32/18/95/160321895.db2.gz HIXZAAGRFRQVDB-BRWVUGGUSA-N 2 2 335.496 2.452 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248147698 160339023 /nfs/dbraw/zinc/33/90/23/160339023.db2.gz QJDXFFDEMJKFBK-IEBWSBKVSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248147698 160339024 /nfs/dbraw/zinc/33/90/24/160339024.db2.gz QJDXFFDEMJKFBK-IEBWSBKVSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248147698 160339025 /nfs/dbraw/zinc/33/90/25/160339025.db2.gz QJDXFFDEMJKFBK-IEBWSBKVSA-N 2 2 345.487 2.070 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248147698 160339026 /nfs/dbraw/zinc/33/90/26/160339026.db2.gz QJDXFFDEMJKFBK-IEBWSBKVSA-N 2 2 345.487 2.070 10 0 EEAELP CC(C)NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248165494 160340154 /nfs/dbraw/zinc/34/01/54/160340154.db2.gz SXJNERPDFBATAK-OALUTQOASA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248165494 160340156 /nfs/dbraw/zinc/34/01/56/160340156.db2.gz SXJNERPDFBATAK-OALUTQOASA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248165494 160340158 /nfs/dbraw/zinc/34/01/58/160340158.db2.gz SXJNERPDFBATAK-OALUTQOASA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248165494 160340160 /nfs/dbraw/zinc/34/01/60/160340160.db2.gz SXJNERPDFBATAK-OALUTQOASA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000248470219 160348021 /nfs/dbraw/zinc/34/80/21/160348021.db2.gz HSHOOPFPLXCOAZ-BISRIHTFSA-N 2 2 333.520 2.438 10 0 EEAELP CC(C)[C@]1(C)C[C@@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000248470219 160348023 /nfs/dbraw/zinc/34/80/23/160348023.db2.gz HSHOOPFPLXCOAZ-BISRIHTFSA-N 2 2 333.520 2.438 10 0 EEAELP OC[C@@H]([NH2+]CCC[NH2+][C@H](CO)c1ccsc1)c1ccsc1 ZINC000352031827 162037373 /nfs/dbraw/zinc/03/73/73/162037373.db2.gz HLFWTTCTTYKKCU-HUUCEWRRSA-N 2 2 326.487 2.146 10 0 EEAELP OC[C@H]([NH2+]CCC[NH2+][C@H](CO)c1ccsc1)c1ccsc1 ZINC000352031825 162038030 /nfs/dbraw/zinc/03/80/30/162038030.db2.gz HLFWTTCTTYKKCU-GASCZTMLSA-N 2 2 326.487 2.146 10 0 EEAELP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccccc3)C2=O)s1 ZINC000352771332 162280642 /nfs/dbraw/zinc/28/06/42/162280642.db2.gz ONGNDPMQJVWXOR-HNNXBMFYSA-N 2 2 330.457 2.100 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCCCOC(C)(C)C)CC2)cc[nH+]1 ZINC000354676671 162945847 /nfs/dbraw/zinc/94/58/47/162945847.db2.gz PQZINBYXGLBOCG-UHFFFAOYSA-N 2 2 335.496 2.260 10 0 EEAELP C[C@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289446288 275116426 /nfs/dbraw/zinc/11/64/26/275116426.db2.gz WZICZLDMHYCYMP-GDBMZVCRSA-N 2 2 346.475 2.048 10 0 EEAELP C[C@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289446288 275116427 /nfs/dbraw/zinc/11/64/27/275116427.db2.gz WZICZLDMHYCYMP-GDBMZVCRSA-N 2 2 346.475 2.048 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC000291563791 275317772 /nfs/dbraw/zinc/31/77/72/275317772.db2.gz YFDHWYSARPGJGJ-SFHVURJKSA-N 2 2 344.434 2.497 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052193 275368347 /nfs/dbraw/zinc/36/83/47/275368347.db2.gz BRLATMSJQXZOGR-AEFFLSMTSA-N 2 2 333.863 2.473 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052193 275368349 /nfs/dbraw/zinc/36/83/49/275368349.db2.gz BRLATMSJQXZOGR-AEFFLSMTSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052193 275368351 /nfs/dbraw/zinc/36/83/51/275368351.db2.gz BRLATMSJQXZOGR-AEFFLSMTSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052193 275368353 /nfs/dbraw/zinc/36/83/53/275368353.db2.gz BRLATMSJQXZOGR-AEFFLSMTSA-N 2 2 333.863 2.473 10 0 EEAELP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000375366755 278237162 /nfs/dbraw/zinc/23/71/62/278237162.db2.gz CZHGKMPOQMBUSJ-YJBOKZPZSA-N 2 2 336.524 2.375 10 0 EEAELP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000375366755 278237164 /nfs/dbraw/zinc/23/71/64/278237164.db2.gz CZHGKMPOQMBUSJ-YJBOKZPZSA-N 2 2 336.524 2.375 10 0 EEAELP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000361219830 289209755 /nfs/dbraw/zinc/20/97/55/289209755.db2.gz GXXTWZJPZOKUHX-OCCSQVGLSA-N 2 2 343.265 2.175 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000376280948 302322693 /nfs/dbraw/zinc/32/26/93/302322693.db2.gz JIKJKEZEINGLPM-RBSFLKMASA-N 2 2 333.480 2.083 10 0 EEAELP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(Br)c1O ZINC000414935960 313111610 /nfs/dbraw/zinc/11/16/10/313111610.db2.gz BDHIZTZEETUKNF-GXSJLCMTSA-N 2 2 329.238 2.251 10 0 EEAELP O=C(NCCC1=CC[NH2+]CC1)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417078808 313415711 /nfs/dbraw/zinc/41/57/11/313415711.db2.gz QOYZSTDXSDTWMN-UHFFFAOYSA-N 2 2 339.443 2.040 10 0 EEAELP CN(C(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000418748500 313896410 /nfs/dbraw/zinc/89/64/10/313896410.db2.gz KWCXLVKNXMWIQA-UONOGXRCSA-N 2 2 349.385 2.138 10 0 EEAELP CC(C)[NH+]1CCC([NH+]2CCN(Cc3nn(C)cc3Cl)CC2)CC1 ZINC000420937138 314002804 /nfs/dbraw/zinc/00/28/04/314002804.db2.gz NOSBXRZBVGBPSB-UHFFFAOYSA-N 2 2 339.915 2.064 10 0 EEAELP Cn1cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c2cc(F)ccc21 ZINC000432120782 314680886 /nfs/dbraw/zinc/68/08/86/314680886.db2.gz RRICLYIRZZIXSC-UHFFFAOYSA-N 2 2 346.450 2.073 10 0 EEAELP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cnc(-c2c(F)cccc2F)s1 ZINC000449193563 315429704 /nfs/dbraw/zinc/42/97/04/315429704.db2.gz RKSQCMBBRLFUNK-MRXNPFEDSA-N 2 2 341.427 2.491 10 0 EEAELP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCCO1 ZINC000527753926 317256285 /nfs/dbraw/zinc/25/62/85/317256285.db2.gz BSHJFUDSAZKSRV-MSOLQXFVSA-N 2 2 338.879 2.434 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528011453 317302326 /nfs/dbraw/zinc/30/23/26/317302326.db2.gz LIYNCNXFPALPAD-RDTXWAMCSA-N 2 2 326.448 2.330 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528011453 317302331 /nfs/dbraw/zinc/30/23/31/317302331.db2.gz LIYNCNXFPALPAD-RDTXWAMCSA-N 2 2 326.448 2.330 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015838 317302975 /nfs/dbraw/zinc/30/29/75/317302975.db2.gz ZEJSAOOEMXPWLU-XJKSGUPXSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015838 317302978 /nfs/dbraw/zinc/30/29/78/317302978.db2.gz ZEJSAOOEMXPWLU-XJKSGUPXSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015835 317303376 /nfs/dbraw/zinc/30/33/76/317303376.db2.gz ZEJSAOOEMXPWLU-CZUORRHYSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015835 317303379 /nfs/dbraw/zinc/30/33/79/317303379.db2.gz ZEJSAOOEMXPWLU-CZUORRHYSA-N 2 2 337.489 2.002 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(c2nc(Cc3c[nH+]cn3C)no2)CC1 ZINC000545845744 318228625 /nfs/dbraw/zinc/22/86/25/318228625.db2.gz HEUGRSCPFWJFPW-UHFFFAOYSA-N 2 2 338.415 2.481 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000563376672 319002632 /nfs/dbraw/zinc/00/26/32/319002632.db2.gz LEACAPGWADPHQO-UHFFFAOYSA-N 2 2 326.444 2.182 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000565705337 319206156 /nfs/dbraw/zinc/20/61/56/319206156.db2.gz KLBPGENQEXHLBK-INIZCTEOSA-N 2 2 333.480 2.070 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCCc3occc32)C1=O ZINC000565931959 319227312 /nfs/dbraw/zinc/22/73/12/319227312.db2.gz FKBPPICXVKYUSR-LSDHHAIUSA-N 2 2 328.416 2.171 10 0 EEAELP CC[NH2+]CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000567572683 319391852 /nfs/dbraw/zinc/39/18/52/319391852.db2.gz UDWKOUUBEGFIOO-HNNXBMFYSA-N 2 2 333.480 2.108 10 0 EEAELP O=C(CC[NH2+]C[C@H]1CCCC[N@H+]1CCO)Nc1cccc(Cl)c1 ZINC000576160096 320146132 /nfs/dbraw/zinc/14/61/32/320146132.db2.gz USGGFOKYHWXLNG-MRXNPFEDSA-N 2 2 339.867 2.105 10 0 EEAELP O=C(CC[NH2+]C[C@H]1CCCC[N@@H+]1CCO)Nc1cccc(Cl)c1 ZINC000576160096 320146134 /nfs/dbraw/zinc/14/61/34/320146134.db2.gz USGGFOKYHWXLNG-MRXNPFEDSA-N 2 2 339.867 2.105 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000577491802 320258824 /nfs/dbraw/zinc/25/88/24/320258824.db2.gz MLECXRHREXBSHR-IBGZPJMESA-N 2 2 349.438 2.303 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc[nH+]c(N(C)C)n2)cc1 ZINC000528141017 448443110 /nfs/dbraw/zinc/44/31/10/448443110.db2.gz SOOUDMWBDNBHAH-HNNXBMFYSA-N 2 2 327.432 2.238 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@H]2CNc2cc[nH+]c(N(C)C)n2)cc1 ZINC000528141017 448443118 /nfs/dbraw/zinc/44/31/18/448443118.db2.gz SOOUDMWBDNBHAH-HNNXBMFYSA-N 2 2 327.432 2.238 10 0 EEAELP COC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000089156079 462652999 /nfs/dbraw/zinc/65/29/99/462652999.db2.gz JHILCBKPICJRBA-QAPCUYQASA-N 2 2 346.475 2.112 10 0 EEAELP COC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000089156079 462653002 /nfs/dbraw/zinc/65/30/02/462653002.db2.gz JHILCBKPICJRBA-QAPCUYQASA-N 2 2 346.475 2.112 10 0 EEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114822430 462684106 /nfs/dbraw/zinc/68/41/06/462684106.db2.gz IBKLADRRTCKLMY-IRXDYDNUSA-N 2 2 347.507 2.200 10 0 EEAELP CC(=O)CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000089914129 462740779 /nfs/dbraw/zinc/74/07/79/462740779.db2.gz ATIOJWLMHHFCDT-SFHVURJKSA-N 2 2 345.487 2.115 10 0 EEAELP CC(=O)CC(C)(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000089914129 462740784 /nfs/dbraw/zinc/74/07/84/462740784.db2.gz ATIOJWLMHHFCDT-SFHVURJKSA-N 2 2 345.487 2.115 10 0 EEAELP CCOCC[N@@H+]1CCN(c2cc(NCC3CC3)[nH+]cn2)C[C@H]1CC ZINC000119535570 462909752 /nfs/dbraw/zinc/90/97/52/462909752.db2.gz YFEFZHJQFQBJPF-MRXNPFEDSA-N 2 2 333.480 2.236 10 0 EEAELP CCOCC[N@H+]1CCN(c2cc(NCC3CC3)[nH+]cn2)C[C@H]1CC ZINC000119535570 462909759 /nfs/dbraw/zinc/90/97/59/462909759.db2.gz YFEFZHJQFQBJPF-MRXNPFEDSA-N 2 2 333.480 2.236 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000134089336 463002771 /nfs/dbraw/zinc/00/27/71/463002771.db2.gz JMTHRHJYVOBCJG-SJORKVTESA-N 2 2 347.507 2.260 10 0 EEAELP C[C@@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C(C)(C)C[NH+](C)C ZINC000120616072 463019164 /nfs/dbraw/zinc/01/91/64/463019164.db2.gz IFEQTNLNNBEFCV-HZPDHXFCSA-N 2 2 349.523 2.361 10 0 EEAELP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1F ZINC000093562886 463041256 /nfs/dbraw/zinc/04/12/56/463041256.db2.gz XGVRKFCRKHJNJS-UHFFFAOYSA-N 2 2 329.423 2.312 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000052523234 463086516 /nfs/dbraw/zinc/08/65/16/463086516.db2.gz CUXYKDGTVKRKEF-KRWDZBQOSA-N 2 2 345.491 2.355 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000052523234 463086523 /nfs/dbraw/zinc/08/65/23/463086523.db2.gz CUXYKDGTVKRKEF-KRWDZBQOSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@]1(C[NH2+]C2CCN(C(N)=O)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000121815792 463200327 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Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C1 ZINC000123658966 463359872 /nfs/dbraw/zinc/35/98/72/463359872.db2.gz OVIXGCGHOQXXJE-CYBMUJFWSA-N 2 2 347.850 2.362 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000124529499 463434787 /nfs/dbraw/zinc/43/47/87/463434787.db2.gz RKNSYRQWNOBNEW-UHFFFAOYSA-N 2 2 340.471 2.221 10 0 EEAELP CCC[C@@H](C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C)[NH+](C)C ZINC000162160237 463488216 /nfs/dbraw/zinc/48/82/16/463488216.db2.gz PGVNZSUFXQZTSM-GJZGRUSLSA-N 2 2 327.419 2.414 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H](C)[C@@H](C)n3cccn3)c2cc1C ZINC000072269783 463490740 /nfs/dbraw/zinc/49/07/40/463490740.db2.gz BTAPZOBZIUYYDF-BRWVUGGUSA-N 2 2 341.459 2.450 10 0 EEAELP C[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)c1ccc(-n2cnnn2)cc1 ZINC000151547069 463550406 /nfs/dbraw/zinc/55/04/06/463550406.db2.gz QECDKDIYBYWYJQ-AWEZNQCLSA-N 2 2 346.398 2.094 10 0 EEAELP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)Cn1cc[nH+]c1 ZINC000073225190 463595549 /nfs/dbraw/zinc/59/55/49/463595549.db2.gz QPRAIPAQVCMRLY-UHFFFAOYSA-N 2 2 330.457 2.379 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073656653 463638876 /nfs/dbraw/zinc/63/88/76/463638876.db2.gz YWFWXSQSAUNRKC-INIZCTEOSA-N 2 2 333.480 2.163 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073656653 463638882 /nfs/dbraw/zinc/63/88/82/463638882.db2.gz YWFWXSQSAUNRKC-INIZCTEOSA-N 2 2 333.480 2.163 10 0 EEAELP C[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H]1n1cc[nH+]c1 ZINC000152160492 463654560 /nfs/dbraw/zinc/65/45/60/463654560.db2.gz WNNUKZOOCLUDFL-GDBMZVCRSA-N 2 2 342.447 2.137 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177558592 463737372 /nfs/dbraw/zinc/73/73/72/463737372.db2.gz KNJSSCOENXFKDB-OAHLLOKOSA-N 2 2 330.436 2.110 10 0 EEAELP Clc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cn2c1 ZINC000261915835 463898543 /nfs/dbraw/zinc/89/85/43/463898543.db2.gz JPORZDZAPPTDBW-BZUAXINKSA-N 2 2 334.851 2.234 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCS[C@H](C)C3)CC2)c1 ZINC000171691816 463906321 /nfs/dbraw/zinc/90/63/21/463906321.db2.gz VXHPVCQKHWIWPV-QGZVFWFLSA-N 2 2 347.528 2.077 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCS[C@H](C)C3)CC2)c1 ZINC000171691816 463906326 /nfs/dbraw/zinc/90/63/26/463906326.db2.gz VXHPVCQKHWIWPV-QGZVFWFLSA-N 2 2 347.528 2.077 10 0 EEAELP COC(=O)CC[N@H+](Cc1cccc(F)c1F)C[C@@]1(C)CC[NH2+]C1 ZINC000262118948 463950291 /nfs/dbraw/zinc/95/02/91/463950291.db2.gz XEVMJMQTIAWSQG-KRWDZBQOSA-N 2 2 326.387 2.330 10 0 EEAELP COC(=O)CC[N@@H+](Cc1cccc(F)c1F)C[C@@]1(C)CC[NH2+]C1 ZINC000262118948 463950297 /nfs/dbraw/zinc/95/02/97/463950297.db2.gz XEVMJMQTIAWSQG-KRWDZBQOSA-N 2 2 326.387 2.330 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCOCC2 ZINC000186237909 463958408 /nfs/dbraw/zinc/95/84/08/463958408.db2.gz JCIOWDUEIQYUPI-DLBZAZTESA-N 2 2 342.443 2.331 10 0 EEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000262161768 463962075 /nfs/dbraw/zinc/96/20/75/463962075.db2.gz NJEAHXFCOKGKOD-DOMZBBRYSA-N 2 2 339.892 2.208 10 0 EEAELP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297041 464033535 /nfs/dbraw/zinc/03/35/35/464033535.db2.gz WSALCFRHJHGTPG-XYJFISCASA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195297041 464033538 /nfs/dbraw/zinc/03/35/38/464033538.db2.gz WSALCFRHJHGTPG-XYJFISCASA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195297041 464033543 /nfs/dbraw/zinc/03/35/43/464033543.db2.gz WSALCFRHJHGTPG-XYJFISCASA-N 2 2 332.492 2.139 10 0 EEAELP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195297041 464033549 /nfs/dbraw/zinc/03/35/49/464033549.db2.gz WSALCFRHJHGTPG-XYJFISCASA-N 2 2 332.492 2.139 10 0 EEAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515738 464063020 /nfs/dbraw/zinc/06/30/20/464063020.db2.gz HQZKBTWKDQUXRJ-OAHLLOKOSA-N 2 2 340.427 2.463 10 0 EEAELP COc1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000195515738 464063026 /nfs/dbraw/zinc/06/30/26/464063026.db2.gz HQZKBTWKDQUXRJ-OAHLLOKOSA-N 2 2 340.427 2.463 10 0 EEAELP C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000263271507 464075530 /nfs/dbraw/zinc/07/55/30/464075530.db2.gz SGFPXTARBNAGKU-CWRNSKLLSA-N 2 2 337.414 2.010 10 0 EEAELP C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000263271507 464075536 /nfs/dbraw/zinc/07/55/36/464075536.db2.gz SGFPXTARBNAGKU-CWRNSKLLSA-N 2 2 337.414 2.010 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000225479299 464164057 /nfs/dbraw/zinc/16/40/57/464164057.db2.gz FDXCRMDMHJJYLD-YPMHNXCESA-N 2 2 332.839 2.430 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000225479299 464164059 /nfs/dbraw/zinc/16/40/59/464164059.db2.gz FDXCRMDMHJJYLD-YPMHNXCESA-N 2 2 332.839 2.430 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000173953289 464338138 /nfs/dbraw/zinc/33/81/38/464338138.db2.gz YXAXOCXMWNVHNB-NVXWUHKLSA-N 2 2 345.491 2.175 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000240333520 464446323 /nfs/dbraw/zinc/44/63/23/464446323.db2.gz FDXCRMDMHJJYLD-DGCLKSJQSA-N 2 2 332.839 2.430 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000240333520 464446325 /nfs/dbraw/zinc/44/63/25/464446325.db2.gz FDXCRMDMHJJYLD-DGCLKSJQSA-N 2 2 332.839 2.430 10 0 EEAELP CC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000181235320 464460796 /nfs/dbraw/zinc/46/07/96/464460796.db2.gz YWHVRIPSKYDHMK-JWTNVVGKSA-N 2 2 328.460 2.031 10 0 EEAELP CC(=O)c1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000181235320 464460800 /nfs/dbraw/zinc/46/08/00/464460800.db2.gz YWHVRIPSKYDHMK-JWTNVVGKSA-N 2 2 328.460 2.031 10 0 EEAELP COc1c(O)cccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000272246372 464534055 /nfs/dbraw/zinc/53/40/55/464534055.db2.gz HNOUBVUUUSUDSE-KRWDZBQOSA-N 2 2 333.476 2.003 10 0 EEAELP COc1c(O)cccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000272246372 464534060 /nfs/dbraw/zinc/53/40/60/464534060.db2.gz HNOUBVUUUSUDSE-KRWDZBQOSA-N 2 2 333.476 2.003 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721603 464609820 /nfs/dbraw/zinc/60/98/20/464609820.db2.gz GBSHALBEIXJXCB-QAPCUYQASA-N 2 2 335.467 2.446 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721603 464609824 /nfs/dbraw/zinc/60/98/24/464609824.db2.gz GBSHALBEIXJXCB-QAPCUYQASA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721603 464609831 /nfs/dbraw/zinc/60/98/31/464609831.db2.gz GBSHALBEIXJXCB-QAPCUYQASA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000175721603 464609835 /nfs/dbraw/zinc/60/98/35/464609835.db2.gz GBSHALBEIXJXCB-QAPCUYQASA-N 2 2 335.467 2.446 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COCc1ccccc1 ZINC000175763366 464618681 /nfs/dbraw/zinc/61/86/81/464618681.db2.gz WRKVFHRHQXDMBV-OALUTQOASA-N 2 2 329.444 2.234 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COCc1ccccc1 ZINC000175763366 464618686 /nfs/dbraw/zinc/61/86/86/464618686.db2.gz WRKVFHRHQXDMBV-OALUTQOASA-N 2 2 329.444 2.234 10 0 EEAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000246966078 464638043 /nfs/dbraw/zinc/63/80/43/464638043.db2.gz FYBCZYVWQDKUGU-DOTOQJQBSA-N 2 2 345.491 2.210 10 0 EEAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000246966078 464638050 /nfs/dbraw/zinc/63/80/50/464638050.db2.gz FYBCZYVWQDKUGU-DOTOQJQBSA-N 2 2 345.491 2.210 10 0 EEAELP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000248651786 464778975 /nfs/dbraw/zinc/77/89/75/464778975.db2.gz NAIOSBHTCRQUBN-MJGOQNOKSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000248651786 464778981 /nfs/dbraw/zinc/77/89/81/464778981.db2.gz NAIOSBHTCRQUBN-MJGOQNOKSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000248651786 464778988 /nfs/dbraw/zinc/77/89/88/464778988.db2.gz NAIOSBHTCRQUBN-MJGOQNOKSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000248651786 464778992 /nfs/dbraw/zinc/77/89/92/464778992.db2.gz NAIOSBHTCRQUBN-MJGOQNOKSA-N 2 2 344.503 2.094 10 0 EEAELP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1Cl ZINC000597050186 468427670 /nfs/dbraw/zinc/42/76/70/468427670.db2.gz TVXDUOWRZHOWFV-UHFFFAOYSA-N 2 2 340.851 2.063 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000351728553 465322878 /nfs/dbraw/zinc/32/28/78/465322878.db2.gz DTJHXOSXZXCXBK-UHFFFAOYSA-N 2 2 336.342 2.064 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000360279350 465548357 /nfs/dbraw/zinc/54/83/57/465548357.db2.gz WYYRHHHWVFIDPK-UHFFFAOYSA-N 2 2 331.420 2.053 10 0 EEAELP O[C@H](C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)CC(F)(F)F ZINC000348323155 465550839 /nfs/dbraw/zinc/55/08/39/465550839.db2.gz FZQWGWWQYJBWIV-JYJNAYRXSA-N 2 2 328.378 2.364 10 0 EEAELP CCc1nc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cs1 ZINC000348325679 465551725 /nfs/dbraw/zinc/55/17/25/465551725.db2.gz RFTUDAHYTTZWDH-GFCCVEGCSA-N 2 2 336.505 2.099 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000344763670 465787624 /nfs/dbraw/zinc/78/76/24/465787624.db2.gz HYJKIYRGUXGTBL-UHFFFAOYSA-N 2 2 347.478 2.342 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(F)cc2)CC1 ZINC000344763670 465787631 /nfs/dbraw/zinc/78/76/31/465787631.db2.gz HYJKIYRGUXGTBL-UHFFFAOYSA-N 2 2 347.478 2.342 10 0 EEAELP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000348898802 465864171 /nfs/dbraw/zinc/86/41/71/465864171.db2.gz GKNXRBQNIMPTBR-UHFFFAOYSA-N 2 2 338.455 2.495 10 0 EEAELP O=C(CC[N@H+]1CCc2ccccc2C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000348898802 465864182 /nfs/dbraw/zinc/86/41/82/465864182.db2.gz GKNXRBQNIMPTBR-UHFFFAOYSA-N 2 2 338.455 2.495 10 0 EEAELP c1cn(C[C@H]2CCC[N@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000346189023 465974001 /nfs/dbraw/zinc/97/40/01/465974001.db2.gz CGYGHKKXYMQRHR-AWEZNQCLSA-N 2 2 328.445 2.438 10 0 EEAELP c1cn(C[C@H]2CCC[N@@H+](Cc3cc(-n4cc[nH+]c4)cs3)C2)nn1 ZINC000346189023 465974010 /nfs/dbraw/zinc/97/40/10/465974010.db2.gz CGYGHKKXYMQRHR-AWEZNQCLSA-N 2 2 328.445 2.438 10 0 EEAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1C1CC1 ZINC000349190173 466012041 /nfs/dbraw/zinc/01/20/41/466012041.db2.gz MMFLVJHIFCYKDO-HOCLYGCPSA-N 2 2 329.444 2.462 10 0 EEAELP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)nc1C1CC1 ZINC000349190173 466012048 /nfs/dbraw/zinc/01/20/48/466012048.db2.gz MMFLVJHIFCYKDO-HOCLYGCPSA-N 2 2 329.444 2.462 10 0 EEAELP COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3cc[nH+]cc3OC)CC2)o1 ZINC000361518121 466064302 /nfs/dbraw/zinc/06/43/02/466064302.db2.gz HTWNNPAQZSNQDG-ZDUSSCGKSA-N 2 2 345.399 2.353 10 0 EEAELP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000372169914 466200936 /nfs/dbraw/zinc/20/09/36/466200936.db2.gz QIUSIKXDYMTKFR-ZDUSSCGKSA-N 2 2 341.415 2.326 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000340995940 466499278 /nfs/dbraw/zinc/49/92/78/466499278.db2.gz YLPHOBMYTNRJJA-CRAIPNDOSA-N 2 2 341.459 2.213 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000340995940 466499287 /nfs/dbraw/zinc/49/92/87/466499287.db2.gz YLPHOBMYTNRJJA-CRAIPNDOSA-N 2 2 341.459 2.213 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@H](C)O)CC1 ZINC000597249211 468495641 /nfs/dbraw/zinc/49/56/41/468495641.db2.gz NENGXNRHGCPBKP-KXBFYZLASA-N 2 2 334.460 2.116 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000358189438 466526043 /nfs/dbraw/zinc/52/60/43/466526043.db2.gz MIFNPALUYOPAJZ-YRGVVPAESA-N 2 2 327.472 2.421 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)C1 ZINC000358189438 466526051 /nfs/dbraw/zinc/52/60/51/466526051.db2.gz MIFNPALUYOPAJZ-YRGVVPAESA-N 2 2 327.472 2.421 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc(N(C)C)[nH+]c1 ZINC000341089609 466575390 /nfs/dbraw/zinc/57/53/90/466575390.db2.gz BKASLGYEUDRZDB-HUUCEWRRSA-N 2 2 333.480 2.210 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000341138005 466612003 /nfs/dbraw/zinc/61/20/03/466612003.db2.gz PIHUNBFPHRDQJE-UHFFFAOYSA-N 2 2 330.476 2.290 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000341138005 466612006 /nfs/dbraw/zinc/61/20/06/466612006.db2.gz PIHUNBFPHRDQJE-UHFFFAOYSA-N 2 2 330.476 2.290 10 0 EEAELP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000324583663 466647927 /nfs/dbraw/zinc/64/79/27/466647927.db2.gz BNSJTNIAGIHPFG-FUHWJXTLSA-N 2 2 333.451 2.214 10 0 EEAELP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000324583663 466647929 /nfs/dbraw/zinc/64/79/29/466647929.db2.gz BNSJTNIAGIHPFG-FUHWJXTLSA-N 2 2 333.451 2.214 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000423017404 466689153 /nfs/dbraw/zinc/68/91/53/466689153.db2.gz WHKRSSOJKLPKBO-BNEJOLLZSA-N 2 2 337.895 2.442 10 0 EEAELP CN(C(=O)c1[nH]ccc1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967928 471238598 /nfs/dbraw/zinc/23/85/98/471238598.db2.gz CRCRGZQYYIQRCG-MRXNPFEDSA-N 2 2 330.476 2.133 10 0 EEAELP CN(C(=O)c1[nH]ccc1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967928 471238600 /nfs/dbraw/zinc/23/86/00/471238600.db2.gz CRCRGZQYYIQRCG-MRXNPFEDSA-N 2 2 330.476 2.133 10 0 EEAELP CCOC(=O)C1(COC)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000373472423 466814893 /nfs/dbraw/zinc/81/48/93/466814893.db2.gz YGNBGENYUBACFR-UHFFFAOYSA-N 2 2 331.416 2.126 10 0 EEAELP Cn1cc(-c2cc(C[N@@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)on2)cn1 ZINC000365639624 466891743 /nfs/dbraw/zinc/89/17/43/466891743.db2.gz REAYWJMNOYSQGM-CYBMUJFWSA-N 2 2 326.404 2.188 10 0 EEAELP Cn1cc(-c2cc(C[N@H+]3CCC[C@@H](c4[nH+]ccn4C)C3)on2)cn1 ZINC000365639624 466891749 /nfs/dbraw/zinc/89/17/49/466891749.db2.gz REAYWJMNOYSQGM-CYBMUJFWSA-N 2 2 326.404 2.188 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)CC[NH3+])c(C)c1 ZINC000417907589 466981054 /nfs/dbraw/zinc/98/10/54/466981054.db2.gz ABBGNIZJNIWYNI-RDJZCZTQSA-N 2 2 329.448 2.278 10 0 EEAELP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417938949 466994226 /nfs/dbraw/zinc/99/42/26/466994226.db2.gz JJDWYGVROVSDDC-ONERCXAPSA-N 2 2 342.846 2.213 10 0 EEAELP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417938949 466994229 /nfs/dbraw/zinc/99/42/29/466994229.db2.gz JJDWYGVROVSDDC-ONERCXAPSA-N 2 2 342.846 2.213 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004291 467019731 /nfs/dbraw/zinc/01/97/31/467019731.db2.gz YVHFPAIAPUMSSO-COLVAYQJSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418004291 467019739 /nfs/dbraw/zinc/01/97/39/467019739.db2.gz YVHFPAIAPUMSSO-COLVAYQJSA-N 2 2 342.846 2.261 10 0 EEAELP Cc1nc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000370977212 467061890 /nfs/dbraw/zinc/06/18/90/467061890.db2.gz ZHSIILAODAOGGO-HNNXBMFYSA-N 2 2 336.505 2.000 10 0 EEAELP Cc1nc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000370977212 467061892 /nfs/dbraw/zinc/06/18/92/467061892.db2.gz ZHSIILAODAOGGO-HNNXBMFYSA-N 2 2 336.505 2.000 10 0 EEAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418311561 467091457 /nfs/dbraw/zinc/09/14/57/467091457.db2.gz MHGGBLHQSZCYCB-MRXNPFEDSA-N 2 2 340.418 2.092 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418603014 467134108 /nfs/dbraw/zinc/13/41/08/467134108.db2.gz WJGQIJXRVGYVKP-YCPHGPKFSA-N 2 2 336.505 2.134 10 0 EEAELP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[N@H+](C)C3CCCCC3)nc[nH+]2)C1 ZINC000413084271 467167306 /nfs/dbraw/zinc/16/73/06/467167306.db2.gz MYWFFUYSYWRGCL-HZPDHXFCSA-N 2 2 347.507 2.360 10 0 EEAELP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[N@@H+](C)C3CCCCC3)nc[nH+]2)C1 ZINC000413084271 467167308 /nfs/dbraw/zinc/16/73/08/467167308.db2.gz MYWFFUYSYWRGCL-HZPDHXFCSA-N 2 2 347.507 2.360 10 0 EEAELP OC1(CNc2cc[nH+]c3ccncc23)CC[NH+](Cc2ccccc2)CC1 ZINC000413571649 467269073 /nfs/dbraw/zinc/26/90/73/467269073.db2.gz DBTPRMVLCKAPLV-UHFFFAOYSA-N 2 2 348.450 2.491 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452113814 467328054 /nfs/dbraw/zinc/32/80/54/467328054.db2.gz CTSIQPLCQJNSLZ-CABCVRRESA-N 2 2 342.443 2.498 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452113814 467328055 /nfs/dbraw/zinc/32/80/55/467328055.db2.gz CTSIQPLCQJNSLZ-CABCVRRESA-N 2 2 342.443 2.498 10 0 EEAELP C[N@H+](Cc1ccccc1)C1(C[NH2+]C2CCN(C(N)=O)CC2)CCC1 ZINC000386717707 467390794 /nfs/dbraw/zinc/39/07/94/467390794.db2.gz RDSHYMGXEYFIIB-UHFFFAOYSA-N 2 2 330.476 2.174 10 0 EEAELP C[N@@H+](Cc1ccccc1)C1(C[NH2+]C2CCN(C(N)=O)CC2)CCC1 ZINC000386717707 467390796 /nfs/dbraw/zinc/39/07/96/467390796.db2.gz RDSHYMGXEYFIIB-UHFFFAOYSA-N 2 2 330.476 2.174 10 0 EEAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000453269846 467473357 /nfs/dbraw/zinc/47/33/57/467473357.db2.gz RWOQAQWQPSWMDH-WMLDXEAASA-N 2 2 349.475 2.151 10 0 EEAELP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000453269846 467473361 /nfs/dbraw/zinc/47/33/61/467473361.db2.gz RWOQAQWQPSWMDH-WMLDXEAASA-N 2 2 349.475 2.151 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cnn(Cc2ccccc2)c1 ZINC000453266842 467474290 /nfs/dbraw/zinc/47/42/90/467474290.db2.gz OPQOHYSEGVMHCQ-PXNSSMCTSA-N 2 2 342.487 2.429 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cnn(Cc2ccccc2)c1 ZINC000453266842 467474294 /nfs/dbraw/zinc/47/42/94/467474294.db2.gz OPQOHYSEGVMHCQ-PXNSSMCTSA-N 2 2 342.487 2.429 10 0 EEAELP CO[C@H](CC(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000415234260 467524952 /nfs/dbraw/zinc/52/49/52/467524952.db2.gz XPOCNLREAGEZRK-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NCCn2cc[nH+]c2)CC1 ZINC000454624744 467605487 /nfs/dbraw/zinc/60/54/87/467605487.db2.gz SXGSAEUNDTUBJE-UHFFFAOYSA-N 2 2 335.496 2.425 10 0 EEAELP CN(C)c1nc(N2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)cc[nH+]1 ZINC000450430667 467849031 /nfs/dbraw/zinc/84/90/31/467849031.db2.gz UFFAKJXZZUTFGZ-AWEZNQCLSA-N 2 2 339.434 2.490 10 0 EEAELP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000530245460 467967458 /nfs/dbraw/zinc/96/74/58/467967458.db2.gz YMYWXHLPGQVTPN-QAPCUYQASA-N 2 2 334.460 2.344 10 0 EEAELP COc1ccc(OC)c([C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000530245460 467967461 /nfs/dbraw/zinc/96/74/61/467967461.db2.gz YMYWXHLPGQVTPN-QAPCUYQASA-N 2 2 334.460 2.344 10 0 EEAELP CCCNC(=O)C[NH+]1CCC(Nc2[nH+]ccc3cc(F)ccc32)CC1 ZINC000566150482 468145443 /nfs/dbraw/zinc/14/54/43/468145443.db2.gz SNDHYHKSJCHVCH-UHFFFAOYSA-N 2 2 344.434 2.776 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519638652 468187531 /nfs/dbraw/zinc/18/75/31/468187531.db2.gz ACHZJOZEQUWNJT-HRCADAONSA-N 2 2 339.842 2.468 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000600771843 468653478 /nfs/dbraw/zinc/65/34/78/468653478.db2.gz BMPYGZSINQIPBG-YPMHNXCESA-N 2 2 332.400 2.458 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](CO)C1 ZINC000570770595 468686896 /nfs/dbraw/zinc/68/68/96/468686896.db2.gz WITFYCODSHBYMI-KBPBESRZSA-N 2 2 328.416 2.108 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](CO)C1 ZINC000570770595 468686900 /nfs/dbraw/zinc/68/69/00/468686900.db2.gz WITFYCODSHBYMI-KBPBESRZSA-N 2 2 328.416 2.108 10 0 EEAELP O[C@H](C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CC1CCCC1 ZINC000571198212 468754252 /nfs/dbraw/zinc/75/42/52/468754252.db2.gz HSRCSVLIZJVCJQ-FQEVSTJZSA-N 3 2 346.519 2.125 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(F)cc1 ZINC000614863868 469076389 /nfs/dbraw/zinc/07/63/89/469076389.db2.gz DZGFJRXGXKNCNM-GUYCJALGSA-N 2 2 330.407 2.073 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)c1ccc(F)cc1 ZINC000614863868 469076395 /nfs/dbraw/zinc/07/63/95/469076395.db2.gz DZGFJRXGXKNCNM-GUYCJALGSA-N 2 2 330.407 2.073 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[NH2+]1 ZINC000627047104 469801733 /nfs/dbraw/zinc/80/17/33/469801733.db2.gz ODASEMUTQIEFNR-CHWSQXEVSA-N 2 2 347.850 2.465 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627204036 469843777 /nfs/dbraw/zinc/84/37/77/469843777.db2.gz AREBSKNIFMBARE-FMKPAKJESA-N 2 2 336.505 2.277 10 0 EEAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624334969 469908017 /nfs/dbraw/zinc/90/80/17/469908017.db2.gz IWTJWBJAHAINPQ-FZMZJTMJSA-N 2 2 345.256 2.175 10 0 EEAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624334969 469908020 /nfs/dbraw/zinc/90/80/20/469908020.db2.gz IWTJWBJAHAINPQ-FZMZJTMJSA-N 2 2 345.256 2.175 10 0 EEAELP Cc1nc(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc(N)[nH+]1 ZINC000631042678 470055082 /nfs/dbraw/zinc/05/50/82/470055082.db2.gz LHGULPCMFOOHEP-UHFFFAOYSA-N 2 2 334.427 2.238 10 0 EEAELP COc1nccnc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196054 470090657 /nfs/dbraw/zinc/09/06/57/470090657.db2.gz NHBZWIBIGQARLB-RDJZCZTQSA-N 2 2 326.444 2.343 10 0 EEAELP COc1nccnc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196054 470090659 /nfs/dbraw/zinc/09/06/59/470090659.db2.gz NHBZWIBIGQARLB-RDJZCZTQSA-N 2 2 326.444 2.343 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000625500802 470156528 /nfs/dbraw/zinc/15/65/28/470156528.db2.gz BWGSBSCIADCIDL-JSGCOSHPSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C(F)(F)F ZINC000625500802 470156533 /nfs/dbraw/zinc/15/65/33/470156533.db2.gz BWGSBSCIADCIDL-JSGCOSHPSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000631842452 470187055 /nfs/dbraw/zinc/18/70/55/470187055.db2.gz AOBDEBGYHNZRGE-VHSXEESVSA-N 2 2 344.228 2.053 10 0 EEAELP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000631842452 470187056 /nfs/dbraw/zinc/18/70/56/470187056.db2.gz AOBDEBGYHNZRGE-VHSXEESVSA-N 2 2 344.228 2.053 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000631886536 470189402 /nfs/dbraw/zinc/18/94/02/470189402.db2.gz JZODONARWIIGKC-WFASDCNBSA-N 2 2 337.851 2.361 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1Cl ZINC000631886536 470189403 /nfs/dbraw/zinc/18/94/03/470189403.db2.gz JZODONARWIIGKC-WFASDCNBSA-N 2 2 337.851 2.361 10 0 EEAELP CCCc1ncc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000634716076 470285260 /nfs/dbraw/zinc/28/52/60/470285260.db2.gz ODEIHXMWGHHFQH-LJQANCHMSA-N 2 2 329.444 2.354 10 0 EEAELP CCCc1ncc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000634716076 470285261 /nfs/dbraw/zinc/28/52/61/470285261.db2.gz ODEIHXMWGHHFQH-LJQANCHMSA-N 2 2 329.444 2.354 10 0 EEAELP FC(F)[C@@H]1CC[NH+](CCC[N@@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634756730 470297553 /nfs/dbraw/zinc/29/75/53/470297553.db2.gz COSXZWFWCSIBDN-STQMWFEESA-N 2 2 342.377 2.089 10 0 EEAELP FC(F)[C@@H]1CC[NH+](CCC[N@H+]2CCO[C@H](C(F)F)CC2)CCO1 ZINC000634756730 470297557 /nfs/dbraw/zinc/29/75/57/470297557.db2.gz COSXZWFWCSIBDN-STQMWFEESA-N 2 2 342.377 2.089 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000648828485 470361551 /nfs/dbraw/zinc/36/15/51/470361551.db2.gz FZKKXJQNJJYIDU-BRWVUGGUSA-N 2 2 348.491 2.156 10 0 EEAELP C[N@@H+]1CCC[C@H](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633417124 470457642 /nfs/dbraw/zinc/45/76/42/470457642.db2.gz MGKDEVLXWMFDRX-QGZVFWFLSA-N 2 2 326.444 2.263 10 0 EEAELP C[N@H+]1CCC[C@H](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633417124 470457644 /nfs/dbraw/zinc/45/76/44/470457644.db2.gz MGKDEVLXWMFDRX-QGZVFWFLSA-N 2 2 326.444 2.263 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)[nH+]c12 ZINC000649354035 470556007 /nfs/dbraw/zinc/55/60/07/470556007.db2.gz BXOPZJLIDBJCRH-RDJZCZTQSA-N 2 2 326.444 2.176 10 0 EEAELP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635482429 470611337 /nfs/dbraw/zinc/61/13/37/470611337.db2.gz WJJRLZFTQNZQOS-ZIAGYGMSSA-N 2 2 328.420 2.005 10 0 EEAELP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635482429 470611340 /nfs/dbraw/zinc/61/13/40/470611340.db2.gz WJJRLZFTQNZQOS-ZIAGYGMSSA-N 2 2 328.420 2.005 10 0 EEAELP Cc1[nH+]cc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)n1-c1ccccc1 ZINC000647246318 470866333 /nfs/dbraw/zinc/86/63/33/470866333.db2.gz BYGAPGMQGKZJJB-LJQANCHMSA-N 2 2 329.444 2.448 10 0 EEAELP CN1CC[NH+](C[C@@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)CC1 ZINC000644689381 471013775 /nfs/dbraw/zinc/01/37/75/471013775.db2.gz JWWHTUOILDFXJQ-FQEVSTJZSA-N 2 2 346.519 2.451 10 0 EEAELP C[NH+]1CCN(C[C@@H](O)CNc2ccc([NH2+]C3CCCCC3)cc2)CC1 ZINC000644689381 471013779 /nfs/dbraw/zinc/01/37/79/471013779.db2.gz JWWHTUOILDFXJQ-FQEVSTJZSA-N 2 2 346.519 2.451 10 0 EEAELP C[C@H]1CCC[C@](CNC(=O)Cc2cn3c([nH+]2)CCCC3)([NH+](C)C)C1 ZINC000651164778 471074018 /nfs/dbraw/zinc/07/40/18/471074018.db2.gz GMOCGFLPKYLTAT-KXBFYZLASA-N 2 2 332.492 2.389 10 0 EEAELP C[NH+](C)CCOc1cccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)c1 ZINC000651212567 471092383 /nfs/dbraw/zinc/09/23/83/471092383.db2.gz REWSPYXNMIUNDB-UHFFFAOYSA-N 2 2 342.443 2.341 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000651898655 471161600 /nfs/dbraw/zinc/16/16/00/471161600.db2.gz SPVFXFBYTJCSPN-UHFFFAOYSA-N 2 2 349.442 2.136 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000651898655 471161605 /nfs/dbraw/zinc/16/16/05/471161605.db2.gz SPVFXFBYTJCSPN-UHFFFAOYSA-N 2 2 349.442 2.136 10 0 EEAELP C[C@@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(F)F ZINC000645205024 471174772 /nfs/dbraw/zinc/17/47/72/471174772.db2.gz JIYJCHMHSWUWBS-CYBMUJFWSA-N 2 2 346.466 2.136 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648440118 471206444 /nfs/dbraw/zinc/20/64/44/471206444.db2.gz MPNKSAUEOXZNDC-UXHICEINSA-N 2 2 343.515 2.466 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648440118 471206449 /nfs/dbraw/zinc/20/64/49/471206449.db2.gz MPNKSAUEOXZNDC-UXHICEINSA-N 2 2 343.515 2.466 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000657798501 471234764 /nfs/dbraw/zinc/23/47/64/471234764.db2.gz LOLRNINLPBVIBX-LJQANCHMSA-N 2 2 325.456 2.298 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000657798501 471234766 /nfs/dbraw/zinc/23/47/66/471234766.db2.gz LOLRNINLPBVIBX-LJQANCHMSA-N 2 2 325.456 2.298 10 0 EEAELP [NH3+]CC1(CCNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000652235582 471260120 /nfs/dbraw/zinc/26/01/20/471260120.db2.gz LALXRHBIJDJGQV-UHFFFAOYSA-N 2 2 345.491 2.237 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nccc(OC)c2F)[C@@H](C)C1 ZINC000658228387 471277473 /nfs/dbraw/zinc/27/74/73/471277473.db2.gz QOFWIXYFVVMGRQ-GJZGRUSLSA-N 2 2 339.455 2.456 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nccc(OC)c2F)[C@@H](C)C1 ZINC000658228387 471277476 /nfs/dbraw/zinc/27/74/76/471277476.db2.gz QOFWIXYFVVMGRQ-GJZGRUSLSA-N 2 2 339.455 2.456 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000658340037 471290124 /nfs/dbraw/zinc/29/01/24/471290124.db2.gz AOHJSATZWLNDMO-OALUTQOASA-N 2 2 339.487 2.124 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2CCCn3nccc32)C1 ZINC000658340037 471290127 /nfs/dbraw/zinc/29/01/27/471290127.db2.gz AOHJSATZWLNDMO-OALUTQOASA-N 2 2 339.487 2.124 10 0 EEAELP COc1cc2cc[nH+]c(NC[C@H](C)N3CC[NH+](C)CC3)c2cc1OC ZINC000663530266 471413572 /nfs/dbraw/zinc/41/35/72/471413572.db2.gz WHMHWJGCSDZAQO-AWEZNQCLSA-N 2 2 344.459 2.300 10 0 EEAELP COc1cc2cc[nH+]c(NC[C@H](C)[NH+]3CCN(C)CC3)c2cc1OC ZINC000663530266 471413576 /nfs/dbraw/zinc/41/35/76/471413576.db2.gz WHMHWJGCSDZAQO-AWEZNQCLSA-N 2 2 344.459 2.300 10 0 EEAELP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000660667975 471439089 /nfs/dbraw/zinc/43/90/89/471439089.db2.gz CCCWRAGCEJBGEE-RDJZCZTQSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000660667975 471439094 /nfs/dbraw/zinc/43/90/94/471439094.db2.gz CCCWRAGCEJBGEE-RDJZCZTQSA-N 2 2 341.459 2.445 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(Cl)s1 ZINC000663694978 471478811 /nfs/dbraw/zinc/47/88/11/471478811.db2.gz IXSJVHMFOSEDQF-UHFFFAOYSA-N 2 2 332.901 2.084 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(Cl)s1 ZINC000663694978 471478814 /nfs/dbraw/zinc/47/88/14/471478814.db2.gz IXSJVHMFOSEDQF-UHFFFAOYSA-N 2 2 332.901 2.084 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000653137999 471504220 /nfs/dbraw/zinc/50/42/20/471504220.db2.gz BTDBTZPJFBSYIW-UHFFFAOYSA-N 2 2 328.391 2.185 10 0 EEAELP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nn1 ZINC000655938308 471550595 /nfs/dbraw/zinc/55/05/95/471550595.db2.gz RNBZRPGDCZGEBZ-GXTWGEPZSA-N 2 2 344.381 2.382 10 0 EEAELP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nn1 ZINC000655938308 471550599 /nfs/dbraw/zinc/55/05/99/471550599.db2.gz RNBZRPGDCZGEBZ-GXTWGEPZSA-N 2 2 344.381 2.382 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669727889 471600527 /nfs/dbraw/zinc/60/05/27/471600527.db2.gz XBJXBEAEUHHRJP-DOTOQJQBSA-N 2 2 330.476 2.410 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669727889 471600533 /nfs/dbraw/zinc/60/05/33/471600533.db2.gz XBJXBEAEUHHRJP-DOTOQJQBSA-N 2 2 330.476 2.410 10 0 EEAELP [NH3+]C[C@H](NCc1c[nH+]c2ccc(Br)cn12)C(F)(F)F ZINC000656195919 471629956 /nfs/dbraw/zinc/62/99/56/471629956.db2.gz IISULWPWIDVPQR-VIFPVBQESA-N 2 2 337.143 2.076 10 0 EEAELP [NH3+]CC12CC(C1)CN2C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000659433022 471625544 /nfs/dbraw/zinc/62/55/44/471625544.db2.gz ZUEWBYSHCVUTGU-UHFFFAOYSA-N 2 2 343.475 2.095 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000667352960 471751622 /nfs/dbraw/zinc/75/16/22/471751622.db2.gz HHHSYPSXYXIBCR-CRAIPNDOSA-N 2 2 326.444 2.242 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)cc1 ZINC000667352960 471751626 /nfs/dbraw/zinc/75/16/26/471751626.db2.gz HHHSYPSXYXIBCR-CRAIPNDOSA-N 2 2 326.444 2.242 10 0 EEAELP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)n1C ZINC000667516999 471805479 /nfs/dbraw/zinc/80/54/79/471805479.db2.gz OVDGXHNZICVHFN-HNNXBMFYSA-N 2 2 327.432 2.283 10 0 EEAELP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)n1C ZINC000667516999 471805482 /nfs/dbraw/zinc/80/54/82/471805482.db2.gz OVDGXHNZICVHFN-HNNXBMFYSA-N 2 2 327.432 2.283 10 0 EEAELP CCc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)[nH]1 ZINC000660233957 471913575 /nfs/dbraw/zinc/91/35/75/471913575.db2.gz SARWKRGNXGGPRV-OAHLLOKOSA-N 2 2 335.496 2.253 10 0 EEAELP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)n1 ZINC000665291769 471992327 /nfs/dbraw/zinc/99/23/27/471992327.db2.gz KZTMXGBHMYTESO-CYBMUJFWSA-N 2 2 334.807 2.298 10 0 EEAELP COc1cc2c(c(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)c1)O[C@H](C)C2 ZINC000668739737 472246921 /nfs/dbraw/zinc/24/69/21/472246921.db2.gz BWDBMMOPDRTGEZ-RDTXWAMCSA-N 2 2 346.471 2.050 10 0 EEAELP COc1cc2c(c(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)c1)O[C@H](C)C2 ZINC000668739737 472246926 /nfs/dbraw/zinc/24/69/26/472246926.db2.gz BWDBMMOPDRTGEZ-RDTXWAMCSA-N 2 2 346.471 2.050 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673656218 485487554 /nfs/dbraw/zinc/48/75/54/485487554.db2.gz UEQCPUGDMSYGPV-SFHVURJKSA-N 2 2 348.410 2.265 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673656218 485487566 /nfs/dbraw/zinc/48/75/66/485487566.db2.gz UEQCPUGDMSYGPV-SFHVURJKSA-N 2 2 348.410 2.265 10 0 EEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596589 485738932 /nfs/dbraw/zinc/73/89/32/485738932.db2.gz SFNFPQHDCSIBKG-SMOSDQRPSA-N 2 2 329.488 2.492 10 0 EEAELP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596589 485738937 /nfs/dbraw/zinc/73/89/37/485738937.db2.gz SFNFPQHDCSIBKG-SMOSDQRPSA-N 2 2 329.488 2.492 10 0 EEAELP COc1ccccc1N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000631146467 485775946 /nfs/dbraw/zinc/77/59/46/485775946.db2.gz JNNCHERGYIWRLF-SFHVURJKSA-N 2 2 347.503 2.100 10 0 EEAELP COc1ccccc1N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000631146467 485775951 /nfs/dbraw/zinc/77/59/51/485775951.db2.gz JNNCHERGYIWRLF-SFHVURJKSA-N 2 2 347.503 2.100 10 0 EEAELP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679892216 485838839 /nfs/dbraw/zinc/83/88/39/485838839.db2.gz LNCOOXYXETYLJJ-MRXNPFEDSA-N 2 2 333.480 2.371 10 0 EEAELP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCn2cc(C)[nH+]c2C1 ZINC000679892216 485838845 /nfs/dbraw/zinc/83/88/45/485838845.db2.gz LNCOOXYXETYLJJ-MRXNPFEDSA-N 2 2 333.480 2.371 10 0 EEAELP CC[N@@H+]1CCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1C ZINC000671626329 485955641 /nfs/dbraw/zinc/95/56/41/485955641.db2.gz UNQPUXDXCCMHLB-HUUCEWRRSA-N 2 2 341.459 2.430 10 0 EEAELP CC[N@H+]1CCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1C ZINC000671626329 485955649 /nfs/dbraw/zinc/95/56/49/485955649.db2.gz UNQPUXDXCCMHLB-HUUCEWRRSA-N 2 2 341.459 2.430 10 0 EEAELP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000684908049 486033579 /nfs/dbraw/zinc/03/35/79/486033579.db2.gz UUFMYEGGIACNSM-KRWDZBQOSA-N 2 2 345.491 2.096 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000684968361 486050134 /nfs/dbraw/zinc/05/01/34/486050134.db2.gz XHIRJLXDAXHPEE-UHFFFAOYSA-N 2 2 334.427 2.293 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCOCC2(CCCC2)C1 ZINC000681474007 486249974 /nfs/dbraw/zinc/24/99/74/486249974.db2.gz JRQNHVBSCIBHSS-IBGZPJMESA-N 2 2 332.488 2.372 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCOCC2(CCCC2)C1 ZINC000681474007 486249977 /nfs/dbraw/zinc/24/99/77/486249977.db2.gz JRQNHVBSCIBHSS-IBGZPJMESA-N 2 2 332.488 2.372 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000681474007 486249983 /nfs/dbraw/zinc/24/99/83/486249983.db2.gz JRQNHVBSCIBHSS-IBGZPJMESA-N 2 2 332.488 2.372 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000681474007 486249986 /nfs/dbraw/zinc/24/99/86/486249986.db2.gz JRQNHVBSCIBHSS-IBGZPJMESA-N 2 2 332.488 2.372 10 0 EEAELP COc1ccc([C@H]([NH2+]CCC(=O)N2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422693817 536929547 /nfs/dbraw/zinc/92/95/47/536929547.db2.gz MQYKUCMGMWUSRA-ICSRJNTNSA-N 2 2 345.487 2.481 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(OC)no3)cn2)CC1 ZINC000924688757 693166193 /nfs/dbraw/zinc/16/61/93/693166193.db2.gz DTVHTJVNSPWQTO-AWEZNQCLSA-N 2 2 345.447 2.071 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccnnc1 ZINC000924720551 693276935 /nfs/dbraw/zinc/27/69/35/693276935.db2.gz ADUAHJRTYUFHNF-MRXNPFEDSA-N 2 2 325.460 2.075 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc(-c3nc(C4([NH3+])CC4)no3)cc2)C[C@H](C)O1 ZINC000905318997 694601151 /nfs/dbraw/zinc/60/11/51/694601151.db2.gz KNYQLIIKRNFZSC-BETUJISGSA-N 2 2 328.416 2.294 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc(-c3nc(C4([NH3+])CC4)no3)cc2)C[C@H](C)O1 ZINC000905318997 694601157 /nfs/dbraw/zinc/60/11/57/694601157.db2.gz KNYQLIIKRNFZSC-BETUJISGSA-N 2 2 328.416 2.294 10 0 EEAELP CCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001485556969 1191834937 /nfs/dbraw/zinc/83/49/37/1191834937.db2.gz YIAVFGXPAWNGRI-MJGOQNOKSA-N 2 2 348.491 2.328 10 0 EEAELP CCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001485556969 1191834938 /nfs/dbraw/zinc/83/49/38/1191834938.db2.gz YIAVFGXPAWNGRI-MJGOQNOKSA-N 2 2 348.491 2.328 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266327857 1176305489 /nfs/dbraw/zinc/30/54/89/1176305489.db2.gz NFMGRRQLLWFEBX-FEFZKZJHSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266327857 1176305496 /nfs/dbraw/zinc/30/54/96/1176305496.db2.gz NFMGRRQLLWFEBX-FEFZKZJHSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001670491522 1176830895 /nfs/dbraw/zinc/83/08/95/1176830895.db2.gz ZNKHZVLYJGICER-DSLCMKTCSA-N 2 2 330.476 2.286 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001266812133 1177471227 /nfs/dbraw/zinc/47/12/27/1177471227.db2.gz ZACSBOPKZSOPHD-HNNXBMFYSA-N 2 2 344.434 2.162 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001691369346 1177973451 /nfs/dbraw/zinc/97/34/51/1177973451.db2.gz NFQIWGKBVMGXSX-GNJLHFKMSA-N 2 2 338.455 2.207 10 0 EEAELP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001267016432 1178094332 /nfs/dbraw/zinc/09/43/32/1178094332.db2.gz DGCPYZDHTDLFNS-WMZOPIPTSA-N 2 2 337.508 2.011 10 0 EEAELP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001267016432 1178094340 /nfs/dbraw/zinc/09/43/40/1178094340.db2.gz DGCPYZDHTDLFNS-WMZOPIPTSA-N 2 2 337.508 2.011 10 0 EEAELP C[C@@H](C(=O)N(C)CC[NH2+]Cc1coc(C2CC2)n1)[NH+]1CCCCCC1 ZINC001267437794 1179010674 /nfs/dbraw/zinc/01/06/74/1179010674.db2.gz YDLFLADIRQWRII-HNNXBMFYSA-N 2 2 348.491 2.365 10 0 EEAELP Cc1cnc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2)C(C)C)s1 ZINC001267512100 1179227941 /nfs/dbraw/zinc/22/79/41/1179227941.db2.gz AMCLJAKYJFVMLO-UHFFFAOYSA-N 2 2 335.477 2.065 10 0 EEAELP Cc1cnc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2)C(C)C)s1 ZINC001267512100 1179227948 /nfs/dbraw/zinc/22/79/48/1179227948.db2.gz AMCLJAKYJFVMLO-UHFFFAOYSA-N 2 2 335.477 2.065 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001267746231 1180382352 /nfs/dbraw/zinc/38/23/52/1180382352.db2.gz FEDMFSBMFGYTNZ-QGZVFWFLSA-N 2 2 342.443 2.103 10 0 EEAELP COCCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001267746231 1180382358 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EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001481657354 1182146871 /nfs/dbraw/zinc/14/68/71/1182146871.db2.gz VUGNJRUCCRYWFT-CQSZACIVSA-N 2 2 340.418 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001268292894 1182183185 /nfs/dbraw/zinc/18/31/85/1182183185.db2.gz VOIHBKVAEAKPMU-ROUUACIJSA-N 2 2 340.471 2.378 10 0 EEAELP Cc1cc(C[NH2+]C[C@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)cs1 ZINC001481952769 1183022754 /nfs/dbraw/zinc/02/27/54/1183022754.db2.gz UBOYCBAUSLJVLW-KRWDZBQOSA-N 2 2 332.473 2.328 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)s1 ZINC001481991320 1183098401 /nfs/dbraw/zinc/09/84/01/1183098401.db2.gz MSEYMRSCDTZNEA-OAHLLOKOSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)n1 ZINC001482146917 1183460563 /nfs/dbraw/zinc/46/05/63/1183460563.db2.gz RLWNDRZPJPQDTE-ZBFHGGJFSA-N 2 2 343.475 2.388 10 0 EEAELP CC(C)c1cccc(C[NH2+]C[C@H](C)CNC(=O)Cc2c[nH+]cn2C)n1 ZINC001482157940 1183477066 /nfs/dbraw/zinc/47/70/66/1183477066.db2.gz AONRXNWWNPCADL-HNNXBMFYSA-N 2 2 343.475 2.023 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268649713 1183578308 /nfs/dbraw/zinc/57/83/08/1183578308.db2.gz PYNXTXIDRUNKII-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268649713 1183578312 /nfs/dbraw/zinc/57/83/12/1183578312.db2.gz PYNXTXIDRUNKII-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001268757847 1183672742 /nfs/dbraw/zinc/67/27/42/1183672742.db2.gz FAFVGZJGWHQGLM-SJORKVTESA-N 2 2 344.459 2.167 10 0 EEAELP COCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268765217 1183680220 /nfs/dbraw/zinc/68/02/20/1183680220.db2.gz IVJSSNYCTCUVGT-DZGCQCFKSA-N 2 2 330.432 2.088 10 0 EEAELP Cc1conc1C[NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268801394 1183717108 /nfs/dbraw/zinc/71/71/08/1183717108.db2.gz GPPBENZQBMQWJI-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001269038784 1183911908 /nfs/dbraw/zinc/91/19/08/1183911908.db2.gz HVXRXKREQVFMSF-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP COCCCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001269038784 1183911912 /nfs/dbraw/zinc/91/19/12/1183911912.db2.gz HVXRXKREQVFMSF-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001269255009 1184105262 /nfs/dbraw/zinc/10/52/62/1184105262.db2.gz JXISWDDQZCTNAW-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001269255009 1184105265 /nfs/dbraw/zinc/10/52/65/1184105265.db2.gz JXISWDDQZCTNAW-ADDHZHGLSA-N 2 2 330.476 2.382 10 0 EEAELP COCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001269742250 1184579543 /nfs/dbraw/zinc/57/95/43/1184579543.db2.gz RFYSWOUFCDWIKO-PKOBYXMFSA-N 2 2 348.491 2.185 10 0 EEAELP COCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)C1 ZINC001269742250 1184579549 /nfs/dbraw/zinc/57/95/49/1184579549.db2.gz RFYSWOUFCDWIKO-PKOBYXMFSA-N 2 2 348.491 2.185 10 0 EEAELP COCCC[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001269746987 1184587527 /nfs/dbraw/zinc/58/75/27/1184587527.db2.gz NWQZKQSWUBJTPW-OAHLLOKOSA-N 2 2 344.459 2.431 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001269752310 1184590192 /nfs/dbraw/zinc/59/01/92/1184590192.db2.gz WAKSRUNVADVCBR-GZTQLTBSSA-N 2 2 338.883 2.324 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](CC[NH2+]C/C(Cl)=C\Cl)C1 ZINC001269771158 1184610214 /nfs/dbraw/zinc/61/02/14/1184610214.db2.gz YIDVIMHRZXFPTP-GKWYLQRDSA-N 2 2 345.274 2.490 10 0 EEAELP COCCC[NH+]1CCC(C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001270231629 1184940979 /nfs/dbraw/zinc/94/09/79/1184940979.db2.gz GIRXKSZCSMFPJW-UHFFFAOYSA-N 2 2 344.459 2.264 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001270491888 1185126880 /nfs/dbraw/zinc/12/68/80/1185126880.db2.gz TTYIHFMXRBUNBA-SJORKVTESA-N 2 2 336.455 2.478 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001270491888 1185126884 /nfs/dbraw/zinc/12/68/84/1185126884.db2.gz TTYIHFMXRBUNBA-SJORKVTESA-N 2 2 336.455 2.478 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482340504 1185440097 /nfs/dbraw/zinc/44/00/97/1185440097.db2.gz HUYRNKASFPEBDH-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482340504 1185440101 /nfs/dbraw/zinc/44/01/01/1185440101.db2.gz HUYRNKASFPEBDH-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001482353071 1185485652 /nfs/dbraw/zinc/48/56/52/1185485652.db2.gz BJMFACPBAGSNPZ-GFCCVEGCSA-N 2 2 347.463 2.183 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001280408298 1186329619 /nfs/dbraw/zinc/32/96/19/1186329619.db2.gz ARZIJXKTPYZDJJ-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001280408298 1186329625 /nfs/dbraw/zinc/32/96/25/1186329625.db2.gz ARZIJXKTPYZDJJ-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001280408298 1186329631 /nfs/dbraw/zinc/32/96/31/1186329631.db2.gz ARZIJXKTPYZDJJ-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001280408298 1186329637 /nfs/dbraw/zinc/32/96/37/1186329637.db2.gz ARZIJXKTPYZDJJ-MSOLQXFVSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001482570372 1186904685 /nfs/dbraw/zinc/90/46/85/1186904685.db2.gz CVPNQYQYBLMWDZ-UONOGXRCSA-N 2 2 328.407 2.049 10 0 EEAELP CC1(C)CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001483031448 1188051759 /nfs/dbraw/zinc/05/17/59/1188051759.db2.gz YJBARBPIRHMQLU-QDLOVBKTSA-N 2 2 330.476 2.144 10 0 EEAELP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483130694 1188622239 /nfs/dbraw/zinc/62/22/39/1188622239.db2.gz ZKPMKRMCBWYZHE-CQSZACIVSA-N 2 2 332.492 2.292 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001483175167 1189025827 /nfs/dbraw/zinc/02/58/27/1189025827.db2.gz RKTAGYKIHFLTRF-UONOGXRCSA-N 2 2 332.423 2.064 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001483175167 1189025832 /nfs/dbraw/zinc/02/58/32/1189025832.db2.gz RKTAGYKIHFLTRF-UONOGXRCSA-N 2 2 332.423 2.064 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)on1)c1ccccc1 ZINC001483184230 1189055931 /nfs/dbraw/zinc/05/59/31/1189055931.db2.gz HSYLTLHDOGMORJ-KDOFPFPSSA-N 2 2 344.459 2.270 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1cc(C)on1)c1ccccc1 ZINC001483184230 1189055935 /nfs/dbraw/zinc/05/59/35/1189055935.db2.gz HSYLTLHDOGMORJ-KDOFPFPSSA-N 2 2 344.459 2.270 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CC[C@H]3CCCCO3)ccn12 ZINC001483227781 1189519226 /nfs/dbraw/zinc/51/92/26/1189519226.db2.gz 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C[C@H](C[N@@H+](C)Cc1cncc(F)c1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483354604 1190391816 /nfs/dbraw/zinc/39/18/16/1190391816.db2.gz XKDPAORPDIOECQ-GFCCVEGCSA-N 2 2 341.390 2.347 10 0 EEAELP C[C@H](C[N@H+](C)Cc1cccc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483391920 1190436795 /nfs/dbraw/zinc/43/67/95/1190436795.db2.gz YXNXEFKEFRCXDK-KBRIMQKVSA-N 2 2 344.434 2.299 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1cccc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483391920 1190436800 /nfs/dbraw/zinc/43/68/00/1190436800.db2.gz YXNXEFKEFRCXDK-KBRIMQKVSA-N 2 2 344.434 2.299 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1C[NH+](CCCc2ccccc2)C1 ZINC001483888238 1191109832 /nfs/dbraw/zinc/10/98/32/1191109832.db2.gz IQVDXMDRDMOWNK-UHFFFAOYSA-N 2 2 340.471 2.128 10 0 EEAELP Cc1nsc(C)c1C[N@@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484053947 1191177209 /nfs/dbraw/zinc/17/72/09/1191177209.db2.gz KBMFHEQIKYBOOI-QGZVFWFLSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1nsc(C)c1C[N@H+]1CC[C@@](C)(NC(=O)CCn2cc[nH+]c2)C1 ZINC001484053947 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336.455 2.466 10 0 EEAELP CC[C@H](C)C[NH2+]C[C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001484681779 1191469598 /nfs/dbraw/zinc/46/95/98/1191469598.db2.gz ZKGHZKWTKURYCP-DZGCQCFKSA-N 2 2 330.432 2.040 10 0 EEAELP CCC1([NH2+]C[C@H]2CC[C@@H](C)O2)CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001484819036 1191539171 /nfs/dbraw/zinc/53/91/71/1191539171.db2.gz HSEJYZPTNIOVGU-GDBMZVCRSA-N 2 2 348.491 2.189 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)n1 ZINC001484988062 1191604354 /nfs/dbraw/zinc/60/43/54/1191604354.db2.gz OLNNOOBZOFJIMH-IRXDYDNUSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)n1 ZINC001484988062 1191604355 /nfs/dbraw/zinc/60/43/55/1191604355.db2.gz OLNNOOBZOFJIMH-IRXDYDNUSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)n1 ZINC001484988062 1191604357 /nfs/dbraw/zinc/60/43/57/1191604357.db2.gz OLNNOOBZOFJIMH-IRXDYDNUSA-N 2 2 349.523 2.273 10 0 EEAELP 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ZINC001485329241 1191745448 /nfs/dbraw/zinc/74/54/48/1191745448.db2.gz QMYZOOCUADTTNS-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@H+](C)CC[C@H]1CCCCO1 ZINC001485329243 1191745833 /nfs/dbraw/zinc/74/58/33/1191745833.db2.gz QMYZOOCUADTTNS-HZPDHXFCSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)[N@@H+](C)CC[C@H]1CCCCO1 ZINC001485329243 1191745834 /nfs/dbraw/zinc/74/58/34/1191745834.db2.gz QMYZOOCUADTTNS-HZPDHXFCSA-N 2 2 344.459 2.344 10 0 EEAELP O=C(NC1(C[NH2+]CC2CC2)CCCCC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001485452286 1191790062 /nfs/dbraw/zinc/79/00/62/1191790062.db2.gz BDBQLGQAWQWRCX-MRXNPFEDSA-N 2 2 330.476 2.264 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCOC2CCC2)CCCCC1 ZINC001485456573 1191792281 /nfs/dbraw/zinc/79/22/81/1191792281.db2.gz XNFZYBIXAVXVEI-UHFFFAOYSA-N 2 2 348.491 2.238 10 0 EEAELP CCOCCC[NH2+][C@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1(C)C ZINC001486244941 1193770678 /nfs/dbraw/zinc/77/06/78/1193770678.db2.gz PVPZIWIUTLEGOD-HOTGVXAUSA-N 2 2 336.480 2.087 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCc1ccc(C[NH2+]CC2CCC2)cc1F ZINC001486526815 1194049007 /nfs/dbraw/zinc/04/90/07/1194049007.db2.gz VNXJCTZXZIJNAT-UHFFFAOYSA-N 2 2 330.407 2.228 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001273067716 1194366460 /nfs/dbraw/zinc/36/64/60/1194366460.db2.gz VCTPRAGRAPJPDF-NEPJUHHUSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001273067716 1194366464 /nfs/dbraw/zinc/36/64/64/1194366464.db2.gz VCTPRAGRAPJPDF-NEPJUHHUSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001273140699 1196774643 /nfs/dbraw/zinc/77/46/43/1196774643.db2.gz PFWFDNMEWOMLJB-CMPLNLGQSA-N 2 2 347.290 2.329 10 0 EEAELP CC(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001410083467 1197543709 /nfs/dbraw/zinc/54/37/09/1197543709.db2.gz PVRPZHYBKPURCM-NNZMDNLPSA-N 2 2 344.503 2.102 10 0 EEAELP CC(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3cn4c([nH+]3)CCCC4)[C@@H]2C1 ZINC001410083467 1197543713 /nfs/dbraw/zinc/54/37/13/1197543713.db2.gz PVRPZHYBKPURCM-NNZMDNLPSA-N 2 2 344.503 2.102 10 0 EEAELP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c(C)o1 ZINC001410231878 1197620757 /nfs/dbraw/zinc/62/07/57/1197620757.db2.gz VJMRODOJCRQAEP-RCBQFDQVSA-N 2 2 345.447 2.124 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H](C)O1 ZINC000872278138 1198125709 /nfs/dbraw/zinc/12/57/09/1198125709.db2.gz HNOXMMIEFLZULB-PFLZLVAZSA-N 2 2 343.471 2.362 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C[C@H](C)O1 ZINC000872278138 1198125716 /nfs/dbraw/zinc/12/57/16/1198125716.db2.gz HNOXMMIEFLZULB-PFLZLVAZSA-N 2 2 343.471 2.362 10 0 EEAELP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865495387 1198247224 /nfs/dbraw/zinc/24/72/24/1198247224.db2.gz LJIJFAHNMSPTID-HUUCEWRRSA-N 2 2 327.831 2.342 10 0 EEAELP CCO[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000865799311 1198380000 /nfs/dbraw/zinc/38/00/00/1198380000.db2.gz NXXCZBKCINJIDK-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CCO[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000865799311 1198380005 /nfs/dbraw/zinc/38/00/05/1198380005.db2.gz NXXCZBKCINJIDK-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CCN(CC[NH2+]Cc1cnoc1C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001273374601 1198392315 /nfs/dbraw/zinc/39/23/15/1198392315.db2.gz LAAULUDLISJNIU-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP CC(C)C[C@H](C)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001411115351 1198811257 /nfs/dbraw/zinc/81/12/57/1198811257.db2.gz OGUYGOGQRVBILG-DOTOQJQBSA-N 2 2 334.508 2.471 10 0 EEAELP Cc1cncc(C[N@@H+](C)CCN(C(=O)CCn2cc[nH+]c2)C(C)C)c1 ZINC001411198856 1198897683 /nfs/dbraw/zinc/89/76/83/1198897683.db2.gz JMJOVUMIGYPZBU-UHFFFAOYSA-N 2 2 343.475 2.346 10 0 EEAELP Cc1cncc(C[N@H+](C)CCN(C(=O)CCn2cc[nH+]c2)C(C)C)c1 ZINC001411198856 1198897688 /nfs/dbraw/zinc/89/76/88/1198897688.db2.gz JMJOVUMIGYPZBU-UHFFFAOYSA-N 2 2 343.475 2.346 10 0 EEAELP Cc1nn(C)c2nc(Cl)c(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cc12 ZINC000810171710 1199310550 /nfs/dbraw/zinc/31/05/50/1199310550.db2.gz QVXZUWVIYLACAE-LLVKDONJSA-N 2 2 330.823 2.300 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001274132497 1204394080 /nfs/dbraw/zinc/39/40/80/1204394080.db2.gz AYHZBBGNGLUUDL-VGOKWCNXSA-N 2 2 338.455 2.216 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1cc2ccccc2o1 ZINC001274509095 1205062121 /nfs/dbraw/zinc/06/21/21/1205062121.db2.gz JGXYLLQUVBJUIZ-PLNGDYQASA-N 2 2 338.411 2.171 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)c(C)n1 ZINC001274843382 1205184486 /nfs/dbraw/zinc/18/44/86/1205184486.db2.gz OHFXZHNOJXAHNC-CQSZACIVSA-N 2 2 337.427 2.254 10 0 EEAELP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001275251106 1205291026 /nfs/dbraw/zinc/29/10/26/1205291026.db2.gz OXPVGHGRLVBPJF-QYEFSBCOSA-N 2 2 330.476 2.286 10 0 EEAELP CC1(C)[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925517646 1206121944 /nfs/dbraw/zinc/12/19/44/1206121944.db2.gz XLGAGCBJLCMCRW-AABGKKOBSA-N 3 2 343.515 2.385 10 0 EEAELP COc1cc(Br)cc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)c1 ZINC000925828759 1206158087 /nfs/dbraw/zinc/15/80/87/1206158087.db2.gz IAJJZDAHNHGWBI-SMDDNHRTSA-N 2 2 343.265 2.314 10 0 EEAELP C/C(=C/C(=O)NC1CCC(C)([NH+]2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000928007004 1206325863 /nfs/dbraw/zinc/32/58/63/1206325863.db2.gz USVXGKHRSMYMHC-ICFOKQHNSA-N 2 2 349.519 2.178 10 0 EEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](CCN1CCCC1=O)C2 ZINC000931215426 1206616725 /nfs/dbraw/zinc/61/67/25/1206616725.db2.gz XJRPQNCLPUSRTM-OYRHEFFESA-N 2 2 341.499 2.453 10 0 EEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCN1CCCC1=O)C2 ZINC000931215426 1206616726 /nfs/dbraw/zinc/61/67/26/1206616726.db2.gz XJRPQNCLPUSRTM-OYRHEFFESA-N 2 2 341.499 2.453 10 0 EEAELP C[C@@]12C[NH+](CCN3CCCC3=O)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000931215426 1206616727 /nfs/dbraw/zinc/61/67/27/1206616727.db2.gz XJRPQNCLPUSRTM-OYRHEFFESA-N 2 2 341.499 2.453 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ncccn1 ZINC001276327167 1215734560 /nfs/dbraw/zinc/73/45/60/1215734560.db2.gz QSVWJQZHDCULRS-KRWDZBQOSA-N 2 2 347.507 2.069 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1ncccn1 ZINC001276327167 1215734562 /nfs/dbraw/zinc/73/45/62/1215734562.db2.gz QSVWJQZHDCULRS-KRWDZBQOSA-N 2 2 347.507 2.069 10 0 EEAELP C[C@@H](CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[N@H+](C)C1CC1 ZINC000900544236 1234463873 /nfs/dbraw/zinc/46/38/73/1234463873.db2.gz RIWNTDBNNNNZPZ-HNNXBMFYSA-N 2 2 341.459 2.208 10 0 EEAELP C[C@@H](CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[N@@H+](C)C1CC1 ZINC000900544236 1234463877 /nfs/dbraw/zinc/46/38/77/1234463877.db2.gz RIWNTDBNNNNZPZ-HNNXBMFYSA-N 2 2 341.459 2.208 10 0 EEAELP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902796074 1238551438 /nfs/dbraw/zinc/55/14/38/1238551438.db2.gz MGHPTRILIBKZAM-IAGOWNOFSA-N 3 2 327.476 2.159 10 0 EEAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+]3C)n2)C1 ZINC000902934162 1239121841 /nfs/dbraw/zinc/12/18/41/1239121841.db2.gz NRZITJRREYDPSK-OCCSQVGLSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H]3CC[NH+]3C)n2)C1 ZINC000902934162 1239121847 /nfs/dbraw/zinc/12/18/47/1239121847.db2.gz NRZITJRREYDPSK-OCCSQVGLSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@@H+]3C)n2)C1 ZINC000902934162 1239121856 /nfs/dbraw/zinc/12/18/56/1239121856.db2.gz NRZITJRREYDPSK-OCCSQVGLSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@@H]3CC[N@H+]3C)n2)C1 ZINC000902934162 1239121860 /nfs/dbraw/zinc/12/18/60/1239121860.db2.gz NRZITJRREYDPSK-OCCSQVGLSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000903435109 1240463612 /nfs/dbraw/zinc/46/36/12/1240463612.db2.gz OTYXXNCUPBZRAF-MJGOQNOKSA-N 2 2 329.488 2.009 10 0 EEAELP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000903902778 1242410258 /nfs/dbraw/zinc/41/02/58/1242410258.db2.gz CBMMJJSBJPPVDS-HOCLYGCPSA-N 2 2 329.448 2.491 10 0 EEAELP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000903902778 1242410263 /nfs/dbraw/zinc/41/02/63/1242410263.db2.gz CBMMJJSBJPPVDS-HOCLYGCPSA-N 2 2 329.448 2.491 10 0 EEAELP Cc1nc([C@H]2CCC[N@H+]2C[C@@H](C[NH3+])Cc2cnn(C)c2C)cs1 ZINC000903908271 1242430747 /nfs/dbraw/zinc/43/07/47/1242430747.db2.gz GARXHWAZYPTPFX-RHSMWYFYSA-N 2 2 333.505 2.448 10 0 EEAELP Cc1nc([C@H]2CCC[N@@H+]2C[C@@H](C[NH3+])Cc2cnn(C)c2C)cs1 ZINC000903908271 1242430755 /nfs/dbraw/zinc/43/07/55/1242430755.db2.gz GARXHWAZYPTPFX-RHSMWYFYSA-N 2 2 333.505 2.448 10 0 EEAELP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2nc(C(F)(F)F)cs2)cnn1C ZINC000903924848 1242519530 /nfs/dbraw/zinc/51/95/30/1242519530.db2.gz IORNQCFBJUDJRV-JTQLQIEISA-N 2 2 347.410 2.111 10 0 EEAELP CN(C(=O)C1CC2(CC2(F)F)C1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000827352379 1247937488 /nfs/dbraw/zinc/93/74/88/1247937488.db2.gz GIFGZRSZHJWXJJ-GULBITTBSA-N 2 2 341.446 2.049 10 0 EEAELP CN(C(=O)C1CC2(CC2(F)F)C1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000827352379 1247937495 /nfs/dbraw/zinc/93/74/95/1247937495.db2.gz GIFGZRSZHJWXJJ-GULBITTBSA-N 2 2 341.446 2.049 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@H]([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001491299259 1258923344 /nfs/dbraw/zinc/92/33/44/1258923344.db2.gz GBYCAYCBNMXRJO-HIFRSBDPSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@H]([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001491299259 1258923348 /nfs/dbraw/zinc/92/33/48/1258923348.db2.gz GBYCAYCBNMXRJO-HIFRSBDPSA-N 2 2 347.488 2.065 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001691708254 1287218238 /nfs/dbraw/zinc/21/82/38/1287218238.db2.gz IAJSULXYQBJDJA-QAPCUYQASA-N 2 2 342.443 2.101 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC001691708254 1287218241 /nfs/dbraw/zinc/21/82/41/1287218241.db2.gz IAJSULXYQBJDJA-QAPCUYQASA-N 2 2 342.443 2.101 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001273765106 1285132664 /nfs/dbraw/zinc/13/26/64/1285132664.db2.gz LBBGESJLOKGXKM-HUUCEWRRSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)c1ccc(F)c(F)c1 ZINC001488883583 1290275761 /nfs/dbraw/zinc/27/57/61/1290275761.db2.gz ZDZDGKKDQYTSPL-UMVBOHGHSA-N 2 2 348.397 2.407 10 0 EEAELP CC[C@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1)OC ZINC001489326562 1290511463 /nfs/dbraw/zinc/51/14/63/1290511463.db2.gz USWRFGDITNWKKE-DLBZAZTESA-N 2 2 336.480 2.011 10 0 EEAELP CC[C@H](C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1)OC ZINC001489326562 1290511466 /nfs/dbraw/zinc/51/14/66/1290511466.db2.gz USWRFGDITNWKKE-DLBZAZTESA-N 2 2 336.480 2.011 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)c1c(F)cccc1F ZINC000855415566 1293209548 /nfs/dbraw/zinc/20/95/48/1293209548.db2.gz ZMAGCJDJBWBMGC-UHFFFAOYSA-N 2 2 349.372 2.056 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)c1c(F)cccc1F ZINC000855415566 1293209549 /nfs/dbraw/zinc/20/95/49/1293209549.db2.gz ZMAGCJDJBWBMGC-UHFFFAOYSA-N 2 2 349.372 2.056 10 0 EEAELP CCn1ccnc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856555046 1293565394 /nfs/dbraw/zinc/56/53/94/1293565394.db2.gz YBRXZBFLEDJIDT-SFHVURJKSA-N 2 2 343.475 2.403 10 0 EEAELP CCn1ccnc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856555046 1293565399 /nfs/dbraw/zinc/56/53/99/1293565399.db2.gz YBRXZBFLEDJIDT-SFHVURJKSA-N 2 2 343.475 2.403 10 0 EEAELP CCn1ccnc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856555046 1293565402 /nfs/dbraw/zinc/56/54/02/1293565402.db2.gz YBRXZBFLEDJIDT-SFHVURJKSA-N 2 2 343.475 2.403 10 0 EEAELP CCn1ccnc1C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856555046 1293565404 /nfs/dbraw/zinc/56/54/04/1293565404.db2.gz YBRXZBFLEDJIDT-SFHVURJKSA-N 2 2 343.475 2.403 10 0 EEAELP [NH2+]=C(NOCc1ccnc(F)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000863465741 1296295448 /nfs/dbraw/zinc/29/54/48/1296295448.db2.gz KIBCCPBIANLZFN-MRXNPFEDSA-N 2 2 344.390 2.120 10 0 EEAELP [NH2+]=C(NOCc1ccnc(F)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000863465741 1296295459 /nfs/dbraw/zinc/29/54/59/1296295459.db2.gz KIBCCPBIANLZFN-MRXNPFEDSA-N 2 2 344.390 2.120 10 0 EEAELP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000927105946 1297019024 /nfs/dbraw/zinc/01/90/24/1297019024.db2.gz MPQRWELZMROOJQ-HOCLYGCPSA-N 2 2 325.456 2.478 10 0 EEAELP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000927105946 1297019042 /nfs/dbraw/zinc/01/90/42/1297019042.db2.gz MPQRWELZMROOJQ-HOCLYGCPSA-N 2 2 325.456 2.478 10 0 EEAELP CCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001491132828 1299623801 /nfs/dbraw/zinc/62/38/01/1299623801.db2.gz GPXBQNLAUYBSKO-LJQANCHMSA-N 2 2 340.471 2.474 10 0 EEAELP CCc1ccc(C[N@H+]2CCC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001491132828 1299623808 /nfs/dbraw/zinc/62/38/08/1299623808.db2.gz GPXBQNLAUYBSKO-LJQANCHMSA-N 2 2 340.471 2.474 10 0 EEAELP Cc1cccn2cc(CC(=O)N3C[C@H]([NH2+]CCCF)C[C@@H]3C)[nH+]c12 ZINC001278403319 1310063191 /nfs/dbraw/zinc/06/31/91/1310063191.db2.gz HVERGSCWTOIZEY-LSDHHAIUSA-N 2 2 332.423 2.124 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CN(C(=O)OC(C)(C)C)C1 ZINC000843403225 1315908142 /nfs/dbraw/zinc/90/81/42/1315908142.db2.gz VBTJELPSEPJSAK-KFWWJZLASA-N 2 2 334.464 2.433 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001278617552 1317377858 /nfs/dbraw/zinc/37/78/58/1317377858.db2.gz BRRHGUKLHCOBFC-DOTOQJQBSA-N 2 2 344.434 2.139 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCc1cccs1 ZINC001265004549 1322851143 /nfs/dbraw/zinc/85/11/43/1322851143.db2.gz RIFWCJDRNYXPEF-OAHLLOKOSA-N 2 2 346.500 2.188 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCc1cccs1 ZINC001265004549 1322851147 /nfs/dbraw/zinc/85/11/47/1322851147.db2.gz RIFWCJDRNYXPEF-OAHLLOKOSA-N 2 2 346.500 2.188 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]CCc3ccns3)ccn12 ZINC001265774992 1323374793 /nfs/dbraw/zinc/37/47/93/1323374793.db2.gz LLWZAMMRROTNJL-LBPRGKRZSA-N 2 2 343.456 2.050 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc(F)c(Cl)c1 ZINC001265929391 1323493358 /nfs/dbraw/zinc/49/33/58/1323493358.db2.gz OKAOSTFMLATQCJ-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc(F)c(Cl)c1 ZINC001265929391 1323493363 /nfs/dbraw/zinc/49/33/63/1323493363.db2.gz OKAOSTFMLATQCJ-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP COCCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001266010549 1323562845 /nfs/dbraw/zinc/56/28/45/1323562845.db2.gz KGHSBIPBMGSUMF-DOTOQJQBSA-N 2 2 336.480 2.046 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1ccns1 ZINC001266083326 1323641501 /nfs/dbraw/zinc/64/15/01/1323641501.db2.gz XXBOFVKCJLEWHO-HUUCEWRRSA-N 2 2 347.488 2.009 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1ccns1 ZINC001266083326 1323641510 /nfs/dbraw/zinc/64/15/10/1323641510.db2.gz XXBOFVKCJLEWHO-HUUCEWRRSA-N 2 2 347.488 2.009 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)C3CC([NH2+]CCCF)C3)[nH+]c12 ZINC001279301535 1323867675 /nfs/dbraw/zinc/86/76/75/1323867675.db2.gz MUNVSPRIWKVOEA-UHFFFAOYSA-N 2 2 332.423 2.124 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001282737426 1325775727 /nfs/dbraw/zinc/77/57/27/1325775727.db2.gz BCHQOLZKKPTJBL-ZDUSSCGKSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001282737426 1325775728 /nfs/dbraw/zinc/77/57/28/1325775728.db2.gz BCHQOLZKKPTJBL-ZDUSSCGKSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001283051989 1325901386 /nfs/dbraw/zinc/90/13/86/1325901386.db2.gz GSBHJGINUZUIEJ-ULQDDVLXSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001283249212 1325970772 /nfs/dbraw/zinc/97/07/72/1325970772.db2.gz MTSBRVRHPFGVMJ-GFCCVEGCSA-N 2 2 336.386 2.305 10 0 EEAELP COCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H]1C ZINC001283907843 1326314712 /nfs/dbraw/zinc/31/47/12/1326314712.db2.gz VSYPQTCVBJIXDX-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCOC2CCC2)CN1C(=O)c1cccc2[nH+]ccn21 ZINC001283993957 1326354139 /nfs/dbraw/zinc/35/41/39/1326354139.db2.gz BTXVBYVWPJAQSW-GJZGRUSLSA-N 2 2 342.443 2.096 10 0 EEAELP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001284774583 1326707717 /nfs/dbraw/zinc/70/77/17/1326707717.db2.gz XDZRBKGKCBNUMS-ZPINYZMOSA-N 2 2 330.476 2.381 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CCCc2ccccc2)C1 ZINC001491823809 1330264562 /nfs/dbraw/zinc/26/45/62/1330264562.db2.gz KCAPLAIPHKBZJW-IBGZPJMESA-N 2 2 340.471 2.344 10 0 EEAELP CO[C@@H](C[N@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCC1 ZINC001491945016 1330336277 /nfs/dbraw/zinc/33/62/77/1330336277.db2.gz VQIAAKFXCJATST-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@@H](C[N@@H+](C)[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1)C1CCC1 ZINC001491945016 1330336283 /nfs/dbraw/zinc/33/62/83/1330336283.db2.gz VQIAAKFXCJATST-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP C[C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC001492043713 1330417149 /nfs/dbraw/zinc/41/71/49/1330417149.db2.gz OUWQHRGIANZHRA-HIFRSBDPSA-N 2 2 344.459 2.476 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCCC[C@H]1CCC[N@@H+]1C/C=C\Cl ZINC001492163714 1331028335 /nfs/dbraw/zinc/02/83/35/1331028335.db2.gz LQZKIXDTHMZILN-NOKKCYSASA-N 2 2 338.883 2.466 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCCC[C@H]1CCC[N@H+]1C/C=C\Cl ZINC001492163714 1331028342 /nfs/dbraw/zinc/02/83/42/1331028342.db2.gz LQZKIXDTHMZILN-NOKKCYSASA-N 2 2 338.883 2.466 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cc2ccccc2o1 ZINC001316856855 1331524974 /nfs/dbraw/zinc/52/49/74/1331524974.db2.gz YVFKRGRXPHXXIO-UHFFFAOYSA-N 2 2 326.400 2.337 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cc2ccccc2o1 ZINC001316856855 1331524978 /nfs/dbraw/zinc/52/49/78/1331524978.db2.gz YVFKRGRXPHXXIO-UHFFFAOYSA-N 2 2 326.400 2.337 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(F)c(Cl)c1 ZINC001316856869 1331525286 /nfs/dbraw/zinc/52/52/86/1331525286.db2.gz ZPJMJFSUFKFDOM-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(F)c(Cl)c1 ZINC001316856869 1331525291 /nfs/dbraw/zinc/52/52/91/1331525291.db2.gz ZPJMJFSUFKFDOM-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP CC(C)[C@@H](C(=O)NCCC[N@H+](C)Cc1csc(Cl)n1)[NH+](C)C ZINC001316861750 1331666748 /nfs/dbraw/zinc/66/67/48/1331666748.db2.gz FPRCZNMMEMMGNP-ZDUSSCGKSA-N 2 2 346.928 2.321 10 0 EEAELP CC(C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1csc(Cl)n1)[NH+](C)C ZINC001316861750 1331666750 /nfs/dbraw/zinc/66/67/50/1331666750.db2.gz FPRCZNMMEMMGNP-ZDUSSCGKSA-N 2 2 346.928 2.321 10 0 EEAELP CCO[C@@H](C[NH2+]CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001317584523 1332308594 /nfs/dbraw/zinc/30/85/94/1332308594.db2.gz GTLKOBKSDLCRAX-KRWDZBQOSA-N 2 2 344.459 2.119 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317606097 1332322449 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348.491 2.387 10 0 EEAELP CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2ncoc2C(C)C)CC1)[NH+](C)C ZINC001333433439 1336045689 /nfs/dbraw/zinc/04/56/89/1336045689.db2.gz PAYNSMIUHKNRFG-QGZVFWFLSA-N 2 2 348.491 2.387 10 0 EEAELP C[NH+](C)CCc1cccc(C(=O)NCCCNc2cccc[nH+]2)c1 ZINC001618539066 1352351067 /nfs/dbraw/zinc/35/10/67/1352351067.db2.gz JBFOJYNZSVEPRV-UHFFFAOYSA-N 2 2 326.444 2.418 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001432576826 1341333068 /nfs/dbraw/zinc/33/30/68/1341333068.db2.gz JABJQKINKJFWGI-WBVHZDCISA-N 2 2 346.519 2.473 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1ccc(C)c(C)c1 ZINC001669162262 1356112664 /nfs/dbraw/zinc/11/26/64/1356112664.db2.gz NRWWSUGDNBETPU-SNAWJCMRSA-N 2 2 326.444 2.340 10 0 EEAELP CCC1([NH2+]C[C@H]2CC[C@H](C)O2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502496197 1342198292 /nfs/dbraw/zinc/19/82/92/1342198292.db2.gz KEFBVOHBQAHQEV-DOTOQJQBSA-N 2 2 348.491 2.271 10 0 EEAELP CCC1([NH2+]C[C@H]2CC[C@H](C)O2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502496197 1342198295 /nfs/dbraw/zinc/19/82/95/1342198295.db2.gz KEFBVOHBQAHQEV-DOTOQJQBSA-N 2 2 348.491 2.271 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671971482 1356446608 /nfs/dbraw/zinc/44/66/08/1356446608.db2.gz BSEOLTRQDICVJM-RDFMZFSFSA-N 2 2 340.418 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001671971482 1356446612 /nfs/dbraw/zinc/44/66/12/1356446612.db2.gz BSEOLTRQDICVJM-RDFMZFSFSA-N 2 2 340.418 2.382 10 0 EEAELP O=C(NC[C@@H]([NH2+]CCCF)c1ccccc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001567659516 1342806447 /nfs/dbraw/zinc/80/64/47/1342806447.db2.gz HWHUADMOPQVLTI-BZUAXINKSA-N 2 2 330.407 2.320 10 0 EEAELP O=C(NC[C@@H]([NH2+]CCCF)c1ccccc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001567659516 1342806451 /nfs/dbraw/zinc/80/64/51/1342806451.db2.gz HWHUADMOPQVLTI-BZUAXINKSA-N 2 2 330.407 2.320 10 0 EEAELP CCOCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001567732679 1342827313 /nfs/dbraw/zinc/82/73/13/1342827313.db2.gz BMBBACXUAXFSOG-KRWDZBQOSA-N 2 2 333.476 2.437 10 0 EEAELP CCOCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001567732679 1342827315 /nfs/dbraw/zinc/82/73/15/1342827315.db2.gz BMBBACXUAXFSOG-KRWDZBQOSA-N 2 2 333.476 2.437 10 0 EEAELP C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](CCOCC2CC2)CC1)n1cc[nH+]c1 ZINC001570183642 1343028922 /nfs/dbraw/zinc/02/89/22/1343028922.db2.gz OIZAXYFOZJDBES-FUHWJXTLSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](CCOCC2CC2)CC1)n1cc[nH+]c1 ZINC001570183642 1343028928 /nfs/dbraw/zinc/02/89/28/1343028928.db2.gz OIZAXYFOZJDBES-FUHWJXTLSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001571327395 1343182488 /nfs/dbraw/zinc/18/24/88/1343182488.db2.gz OUECHMJEZYSRJC-OAHLLOKOSA-N 2 2 332.423 2.405 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001676762820 1357195482 /nfs/dbraw/zinc/19/54/82/1357195482.db2.gz OKSBRHAJWXRYAX-CRAIPNDOSA-N 2 2 326.444 2.164 10 0 EEAELP CCOCCC[NH+]1CCC(C2(NC(=O)Cc3[nH]c[nH+]c3C)CC2)CC1 ZINC001677468215 1357336362 /nfs/dbraw/zinc/33/63/62/1357336362.db2.gz ZZNKEQUMEBKZNX-UHFFFAOYSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1nc(C[NH2+]CCC[C@H](C)NC(=O)Cn2cc[nH+]c2)sc1C ZINC001649476778 1353527305 /nfs/dbraw/zinc/52/73/05/1353527305.db2.gz VTCFEGHUAKWAJC-LBPRGKRZSA-N 2 2 335.477 2.031 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001662694052 1354826895 /nfs/dbraw/zinc/82/68/95/1354826895.db2.gz DQKKUKHRIBBUPK-CABCVRRESA-N 2 2 346.500 2.331 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001662694052 1354826900 /nfs/dbraw/zinc/82/69/00/1354826900.db2.gz DQKKUKHRIBBUPK-CABCVRRESA-N 2 2 346.500 2.331 10 0 EEAELP CN(CC[NH2+]Cc1cccc(Cl)c1Cl)C(=O)Cn1cc[nH+]c1 ZINC001664408063 1355156824 /nfs/dbraw/zinc/15/68/24/1355156824.db2.gz IBJNIWGHSLVRAV-UHFFFAOYSA-N 2 2 341.242 2.438 10 0 EEAELP CC[C@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]Cc1nocc1C ZINC001665788995 1355388762 /nfs/dbraw/zinc/38/87/62/1355388762.db2.gz TZIHTUYKUPPFRQ-OAHLLOKOSA-N 2 2 341.415 2.237 10 0 EEAELP C[C@H](C[NH2+]CCC[C@@H]1CCOC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001666933358 1355617650 /nfs/dbraw/zinc/61/76/50/1355617650.db2.gz QTQDRVPXXWZRIV-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCc1ccccc1 ZINC001667395399 1355732152 /nfs/dbraw/zinc/73/21/52/1355732152.db2.gz ZVNJXWRFUYWDIB-VQIMIIECSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@@H](CC[NH2+][C@@H](C)c1nc2ccccc2o1)NC(=O)Cn1cc[nH+]c1 ZINC001668333340 1355925383 /nfs/dbraw/zinc/92/53/83/1355925383.db2.gz YUSFIMADLXNUGN-KBPBESRZSA-N 2 2 341.415 2.270 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1cccc(F)c1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001668893672 1356037811 /nfs/dbraw/zinc/03/78/11/1356037811.db2.gz NXPRDDWIZDOSDR-STOZHHMFSA-N 2 2 342.418 2.047 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C\CNC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001669118045 1356099116 /nfs/dbraw/zinc/09/91/16/1356099116.db2.gz FXRUYHLVVBGMNE-OGZRUICASA-N 2 2 348.491 2.426 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001669381319 1356152890 /nfs/dbraw/zinc/15/28/90/1356152890.db2.gz OZDSUGVLIHXGRZ-SJLPKXTDSA-N 2 2 339.524 2.160 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001669381319 1356152895 /nfs/dbraw/zinc/15/28/95/1356152895.db2.gz OZDSUGVLIHXGRZ-SJLPKXTDSA-N 2 2 339.524 2.160 10 0 EEAELP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001672326659 1356501618 /nfs/dbraw/zinc/50/16/18/1356501618.db2.gz DFTXUZNFACRPEG-NEPJUHHUSA-N 2 2 346.397 2.324 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001672327389 1356502284 /nfs/dbraw/zinc/50/22/84/1356502284.db2.gz HYZFDOAZGJATSV-YJBOKZPZSA-N 2 2 340.471 2.187 10 0 EEAELP C[C@H](O)CCC[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001672814676 1356590650 /nfs/dbraw/zinc/59/06/50/1356590650.db2.gz BKLGOUHIJNNMRG-GJZGRUSLSA-N 2 2 344.459 2.166 10 0 EEAELP C[C@H](CCC[NH2+]CC[C@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001675936771 1357073344 /nfs/dbraw/zinc/07/33/44/1357073344.db2.gz SISOJDBQDQDHGM-CVEARBPZSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001675974681 1357080172 /nfs/dbraw/zinc/08/01/72/1357080172.db2.gz ZYPDZDFBPXQTNZ-JHJVBQTASA-N 2 2 346.397 2.351 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001698921424 1405163898 /nfs/dbraw/zinc/16/38/98/1405163898.db2.gz SCZIMGZPPURMJO-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP C[NH+](C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC=CC1 ZINC000169790673 790577663 /nfs/dbraw/zinc/57/76/63/790577663.db2.gz KWBCUIYOHVTLPT-RTBURBONSA-N 2 2 327.472 2.131 10 0 EEAELP C[NH+](C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC=CC1 ZINC000169790673 790577674 /nfs/dbraw/zinc/57/76/74/790577674.db2.gz KWBCUIYOHVTLPT-RTBURBONSA-N 2 2 327.472 2.131 10 0 EEAELP O=C1CCCCN1c1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000817894718 785049769 /nfs/dbraw/zinc/04/97/69/785049769.db2.gz NLBHKWJKHHOATL-UYAOXDASSA-N 2 2 343.471 2.060 10 0 EEAELP O=C1CCCCN1c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817894715 785050051 /nfs/dbraw/zinc/05/00/51/785050051.db2.gz NLBHKWJKHHOATL-AZUAARDMSA-N 2 2 343.471 2.060 10 0 EEAELP CON(C)C(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000819184888 785453337 /nfs/dbraw/zinc/45/33/37/785453337.db2.gz JKJSAKYYJTVPEK-KRWDZBQOSA-N 2 2 330.432 2.241 10 0 EEAELP C/C(=C/C(=O)Nc1ccc(C[NH+](C)C)cc1F)C[NH+]1CCOCC1 ZINC000910425795 786756174 /nfs/dbraw/zinc/75/61/74/786756174.db2.gz ZUMVSTRREGYGFO-UVTDQMKNSA-N 2 2 335.423 2.104 10 0 EEAELP COCC[N@H+]1[C@H](C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1C ZINC000824026166 788015363 /nfs/dbraw/zinc/01/53/63/788015363.db2.gz PYQCCHGHCUXOME-IXDOHACOSA-N 2 2 336.480 2.038 10 0 EEAELP COCC[N@@H+]1[C@H](C)CN(C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C[C@@H]1C ZINC000824026166 788015372 /nfs/dbraw/zinc/01/53/72/788015372.db2.gz PYQCCHGHCUXOME-IXDOHACOSA-N 2 2 336.480 2.038 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CCCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000355264395 788179051 /nfs/dbraw/zinc/17/90/51/788179051.db2.gz VIJLBVGPDWDHAA-GTPINHCMSA-N 2 2 345.491 2.326 10 0 EEAELP c1cc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000824645952 788253774 /nfs/dbraw/zinc/25/37/74/788253774.db2.gz UBNAVELAEXJAEC-LJQANCHMSA-N 2 2 342.443 2.427 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518258 789707811 /nfs/dbraw/zinc/70/78/11/789707811.db2.gz JWQLRUHKIKQIFS-SOUVJXGZSA-N 2 2 331.485 2.055 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923518258 789707820 /nfs/dbraw/zinc/70/78/20/789707820.db2.gz JWQLRUHKIKQIFS-SOUVJXGZSA-N 2 2 331.485 2.055 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1csc(C2CC2)n1 ZINC001566439643 1125602070 /nfs/dbraw/zinc/60/20/70/1125602070.db2.gz DQMIUFOZXRBRMX-OAHLLOKOSA-N 2 2 336.505 2.053 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1csc(C2CC2)n1 ZINC001566439643 1125602075 /nfs/dbraw/zinc/60/20/75/1125602075.db2.gz DQMIUFOZXRBRMX-OAHLLOKOSA-N 2 2 336.505 2.053 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1csc(C2CC2)n1 ZINC001566439643 1125602079 /nfs/dbraw/zinc/60/20/79/1125602079.db2.gz DQMIUFOZXRBRMX-OAHLLOKOSA-N 2 2 336.505 2.053 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1csc(C2CC2)n1 ZINC001566439643 1125602085 /nfs/dbraw/zinc/60/20/85/1125602085.db2.gz DQMIUFOZXRBRMX-OAHLLOKOSA-N 2 2 336.505 2.053 10 0 EEAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1ncc(C)o1 ZINC001566576313 1125757223 /nfs/dbraw/zinc/75/72/23/1125757223.db2.gz KEOCGMMOSQPANJ-CQSZACIVSA-N 2 2 333.436 2.077 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)[C@H](C)c1ncc(C)o1 ZINC001566576313 1125757229 /nfs/dbraw/zinc/75/72/29/1125757229.db2.gz KEOCGMMOSQPANJ-CQSZACIVSA-N 2 2 333.436 2.077 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC001436416464 1087773445 /nfs/dbraw/zinc/77/34/45/1087773445.db2.gz WKYFJOAKFASCHL-KSZLIROESA-N 2 2 348.491 2.107 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CCCC(C)C)CC[C@@H]2C1 ZINC001436464138 1087917911 /nfs/dbraw/zinc/91/79/11/1087917911.db2.gz YNTUZCYYWQMHMX-SJORKVTESA-N 2 2 332.492 2.477 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)C)CC[C@@H]2C1 ZINC001436464138 1087917930 /nfs/dbraw/zinc/91/79/30/1087917930.db2.gz YNTUZCYYWQMHMX-SJORKVTESA-N 2 2 332.492 2.477 10 0 EEAELP C[C@H]([NH2+]CCC1CCOCC1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001436668355 1088104846 /nfs/dbraw/zinc/10/48/46/1088104846.db2.gz NLAPAGWUSXGCED-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1cc(C[NH2+][C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)sn1 ZINC001436811659 1088399105 /nfs/dbraw/zinc/39/91/05/1088399105.db2.gz FSJNOFFGCBYJQT-XJKSGUPXSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]C/C(Cl)=C\Cl)C2)c[nH+]1 ZINC001436899293 1088551914 /nfs/dbraw/zinc/55/19/14/1088551914.db2.gz IFOWUOBZHVEKAI-XXVYOGPQSA-N 2 2 345.274 2.482 10 0 EEAELP Cc1conc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001437031385 1088851298 /nfs/dbraw/zinc/85/12/98/1088851298.db2.gz AXIZFIKCERIKNZ-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001437031385 1088851315 /nfs/dbraw/zinc/85/13/15/1088851315.db2.gz AXIZFIKCERIKNZ-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC001437053467 1088949851 /nfs/dbraw/zinc/94/98/51/1088949851.db2.gz VSXPIWZOCNOGKV-QGZVFWFLSA-N 2 2 333.451 2.392 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC001437053467 1088949862 /nfs/dbraw/zinc/94/98/62/1088949862.db2.gz VSXPIWZOCNOGKV-QGZVFWFLSA-N 2 2 333.451 2.392 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001437062097 1088972277 /nfs/dbraw/zinc/97/22/77/1088972277.db2.gz ZIRYCZNDWNABQX-JSGCOSHPSA-N 2 2 347.488 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC001437062097 1088972291 /nfs/dbraw/zinc/97/22/91/1088972291.db2.gz ZIRYCZNDWNABQX-JSGCOSHPSA-N 2 2 347.488 2.134 10 0 EEAELP CCO[C@H](C[NH2+][C@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001437137453 1089129273 /nfs/dbraw/zinc/12/92/73/1089129273.db2.gz PGHRPAPEMGOAEB-CXAGYDPISA-N 2 2 344.459 2.166 10 0 EEAELP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1ncc(C)o1 ZINC001437598034 1090104732 /nfs/dbraw/zinc/10/47/32/1090104732.db2.gz UEUKRWFUHJRRKT-HOTGVXAUSA-N 2 2 336.480 2.357 10 0 EEAELP CC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1ncc(C)o1 ZINC001437598034 1090104736 /nfs/dbraw/zinc/10/47/36/1090104736.db2.gz UEUKRWFUHJRRKT-HOTGVXAUSA-N 2 2 336.480 2.357 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1ncc(C)o1 ZINC001437598034 1090104741 /nfs/dbraw/zinc/10/47/41/1090104741.db2.gz UEUKRWFUHJRRKT-HOTGVXAUSA-N 2 2 336.480 2.357 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ncc(C)o1 ZINC001437598034 1090104746 /nfs/dbraw/zinc/10/47/46/1090104746.db2.gz UEUKRWFUHJRRKT-HOTGVXAUSA-N 2 2 336.480 2.357 10 0 EEAELP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001437613366 1090120543 /nfs/dbraw/zinc/12/05/43/1090120543.db2.gz BHLYDFZBRJBPNA-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](C)C[N@@H+](CC)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001437613366 1090120546 /nfs/dbraw/zinc/12/05/46/1090120546.db2.gz BHLYDFZBRJBPNA-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](C)C[NH+](CC)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001437613366 1090120548 /nfs/dbraw/zinc/12/05/48/1090120548.db2.gz BHLYDFZBRJBPNA-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](C)C[NH+](CC)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001437613366 1090120563 /nfs/dbraw/zinc/12/05/63/1090120563.db2.gz BHLYDFZBRJBPNA-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001437683423 1090219822 /nfs/dbraw/zinc/21/98/22/1090219822.db2.gz UQRIEYXYBYJNIY-MAUKXSAKSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001437683423 1090219825 /nfs/dbraw/zinc/21/98/25/1090219825.db2.gz UQRIEYXYBYJNIY-MAUKXSAKSA-N 2 2 341.459 2.318 10 0 EEAELP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001437866351 1090445876 /nfs/dbraw/zinc/44/58/76/1090445876.db2.gz LQTDUYQPECBVEQ-SJLPKXTDSA-N 2 2 326.444 2.303 10 0 EEAELP CCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001438273928 1090759093 /nfs/dbraw/zinc/75/90/93/1090759093.db2.gz QLQGTUFTWFTVOF-MRXNPFEDSA-N 2 2 345.447 2.083 10 0 EEAELP CCN(C(=O)CCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001438273928 1090759096 /nfs/dbraw/zinc/75/90/96/1090759096.db2.gz QLQGTUFTWFTVOF-MRXNPFEDSA-N 2 2 345.447 2.083 10 0 EEAELP Cc1cc(C[NH2+]C[C@]2(NC(=O)Cn3cc[nH+]c3)CCCC[C@@H]2C)on1 ZINC001438434754 1090936330 /nfs/dbraw/zinc/93/63/30/1090936330.db2.gz SNSSKIMLJNORRM-KBXCAEBGSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C[NH2+]Cc1ccsc1 ZINC001438494213 1090991641 /nfs/dbraw/zinc/99/16/41/1090991641.db2.gz RQBAGTKGFUEVAJ-CQSZACIVSA-N 2 2 346.500 2.366 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]Cc1c(F)cccc1F ZINC001438712668 1091230864 /nfs/dbraw/zinc/23/08/64/1091230864.db2.gz NNAJRGZYICMARA-LLVKDONJSA-N 2 2 336.386 2.176 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(F)c1F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445615372 1091410103 /nfs/dbraw/zinc/41/01/03/1091410103.db2.gz IGAIFCVIFDROBP-STQMWFEESA-N 2 2 336.386 2.407 10 0 EEAELP CCc1onc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445812498 1091685978 /nfs/dbraw/zinc/68/59/78/1091685978.db2.gz ILNIALHRYQPMGF-ZIAGYGMSSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1onc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445812498 1091685985 /nfs/dbraw/zinc/68/59/85/1091685985.db2.gz ILNIALHRYQPMGF-ZIAGYGMSSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccns1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001445813531 1091687259 /nfs/dbraw/zinc/68/72/59/1091687259.db2.gz MTGGKBAWXNCAGZ-HUUCEWRRSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccns1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001445813531 1091687264 /nfs/dbraw/zinc/68/72/64/1091687264.db2.gz MTGGKBAWXNCAGZ-HUUCEWRRSA-N 2 2 338.521 2.344 10 0 EEAELP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001439226112 1091870602 /nfs/dbraw/zinc/87/06/02/1091870602.db2.gz ZRRDXYKPDBPNNV-IAOVAPTHSA-N 2 2 326.444 2.370 10 0 EEAELP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001439226112 1091870604 /nfs/dbraw/zinc/87/06/04/1091870604.db2.gz ZRRDXYKPDBPNNV-IAOVAPTHSA-N 2 2 326.444 2.370 10 0 EEAELP O=C(N[C@H](C[NH2+]Cc1ccsc1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445956398 1091901379 /nfs/dbraw/zinc/90/13/79/1091901379.db2.gz MEQCKTJGGFYRCN-HZPDHXFCSA-N 2 2 344.484 2.192 10 0 EEAELP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001446025242 1092016628 /nfs/dbraw/zinc/01/66/28/1092016628.db2.gz ZMSNCMKZOGVRKE-QAPCUYQASA-N 2 2 326.444 2.437 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CC2)o1 ZINC001439466421 1092251512 /nfs/dbraw/zinc/25/15/12/1092251512.db2.gz HZNAPCACGLSUKS-HZPDHXFCSA-N 2 2 348.491 2.267 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)o1 ZINC001439466421 1092251525 /nfs/dbraw/zinc/25/15/25/1092251525.db2.gz HZNAPCACGLSUKS-HZPDHXFCSA-N 2 2 348.491 2.267 10 0 EEAELP CC(C)C[C@H](C(=O)NCC1([NH2+]Cc2ccns2)CC1)n1cc[nH+]c1 ZINC001439618526 1092527901 /nfs/dbraw/zinc/52/79/01/1092527901.db2.gz LJTGCOMRRJULMM-OAHLLOKOSA-N 2 2 347.488 2.365 10 0 EEAELP CCC(CC)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001439976451 1093095111 /nfs/dbraw/zinc/09/51/11/1093095111.db2.gz TZEJCMRICLXSJG-CQSZACIVSA-N 2 2 342.434 2.462 10 0 EEAELP CCC(CC)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001439976451 1093095115 /nfs/dbraw/zinc/09/51/15/1093095115.db2.gz TZEJCMRICLXSJG-CQSZACIVSA-N 2 2 342.434 2.462 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001448422634 1093432818 /nfs/dbraw/zinc/43/28/18/1093432818.db2.gz XNLHOVHEJHLEAW-DOTOQJQBSA-N 2 2 334.508 2.471 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001448422634 1093432820 /nfs/dbraw/zinc/43/28/20/1093432820.db2.gz XNLHOVHEJHLEAW-DOTOQJQBSA-N 2 2 334.508 2.471 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001440315384 1093449163 /nfs/dbraw/zinc/44/91/63/1093449163.db2.gz BXOOXNHRLADSEN-DZVNLGKHSA-N 2 2 344.503 2.273 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)on1 ZINC001448603418 1093668640 /nfs/dbraw/zinc/66/86/40/1093668640.db2.gz LFTBJLONFIBXKA-OAHLLOKOSA-N 2 2 345.447 2.011 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001440836021 1094089423 /nfs/dbraw/zinc/08/94/23/1094089423.db2.gz VYGOEDIQPLMVIJ-HYHHROLSSA-N 2 2 326.444 2.469 10 0 EEAELP C[C@@H](CC(=O)N(C)C[C@H](O)C[N@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001449224666 1094177846 /nfs/dbraw/zinc/17/78/46/1094177846.db2.gz FXYYNXPEWNKXPO-JKSUJKDBSA-N 2 2 338.496 2.022 10 0 EEAELP C[C@@H](CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001449224666 1094177848 /nfs/dbraw/zinc/17/78/48/1094177848.db2.gz FXYYNXPEWNKXPO-JKSUJKDBSA-N 2 2 338.496 2.022 10 0 EEAELP Cc1ccc(C)c(OCC[N@@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001441027264 1094314672 /nfs/dbraw/zinc/31/46/72/1094314672.db2.gz RKAYVPZWAUFVIL-QGZVFWFLSA-N 2 2 344.459 2.015 10 0 EEAELP Cc1ccc(C)c(OCC[N@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001441027264 1094314682 /nfs/dbraw/zinc/31/46/82/1094314682.db2.gz RKAYVPZWAUFVIL-QGZVFWFLSA-N 2 2 344.459 2.015 10 0 EEAELP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001441106094 1094414494 /nfs/dbraw/zinc/41/44/94/1094414494.db2.gz OYGOGWAHHMQYKC-HOTGVXAUSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)(C)CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001441106094 1094414497 /nfs/dbraw/zinc/41/44/97/1094414497.db2.gz OYGOGWAHHMQYKC-HOTGVXAUSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(Cl)s2)C1 ZINC001441192341 1094550947 /nfs/dbraw/zinc/55/09/47/1094550947.db2.gz GRUXMVXNGCVEBP-GFCCVEGCSA-N 2 2 341.908 2.434 10 0 EEAELP CCc1ccc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)cc1 ZINC001441302405 1094749285 /nfs/dbraw/zinc/74/92/85/1094749285.db2.gz PURZXSUOJFHDSJ-SFHVURJKSA-N 2 2 326.444 2.130 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCC4CC4)C[C@H]32)c[nH+]1 ZINC001441302773 1094751353 /nfs/dbraw/zinc/75/13/53/1094751353.db2.gz KECWDXSSGSZJFY-OSYLJGHBSA-N 2 2 330.476 2.021 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2[C@H]3C[N@H+](CCC4CC4)C[C@H]32)c[nH+]1 ZINC001441302773 1094751362 /nfs/dbraw/zinc/75/13/62/1094751362.db2.gz KECWDXSSGSZJFY-OSYLJGHBSA-N 2 2 330.476 2.021 10 0 EEAELP O=C(NC[C@@H](CO)[NH2+]CC1CCCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001441717527 1095695435 /nfs/dbraw/zinc/69/54/35/1095695435.db2.gz QDDIPHZYAREZNE-INIZCTEOSA-N 2 2 344.459 2.214 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@H]2C)o1 ZINC001441902967 1096064313 /nfs/dbraw/zinc/06/43/13/1096064313.db2.gz XXSKXULIYAAABW-RHSMWYFYSA-N 2 2 345.447 2.129 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@H]2C)o1 ZINC001441902967 1096064327 /nfs/dbraw/zinc/06/43/27/1096064327.db2.gz XXSKXULIYAAABW-RHSMWYFYSA-N 2 2 345.447 2.129 10 0 EEAELP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]C/C=C\c1ccccc1 ZINC001441931670 1096121650 /nfs/dbraw/zinc/12/16/50/1096121650.db2.gz OFDVBWXVBJFKTP-KKMIYCERSA-N 2 2 338.455 2.492 10 0 EEAELP CC[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CCC(C)C ZINC001443927830 1098447279 /nfs/dbraw/zinc/44/72/79/1098447279.db2.gz CLNZNTWSQWZFJD-RHSMWYFYSA-N 2 2 335.496 2.321 10 0 EEAELP CC[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CCC(C)C ZINC001443927830 1098447281 /nfs/dbraw/zinc/44/72/81/1098447281.db2.gz CLNZNTWSQWZFJD-RHSMWYFYSA-N 2 2 335.496 2.321 10 0 EEAELP CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ncc(C)s1 ZINC001444010681 1098527376 /nfs/dbraw/zinc/52/73/76/1098527376.db2.gz QEIXVAQRCHYBHV-OCCSQVGLSA-N 2 2 335.477 2.284 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001444022935 1098540285 /nfs/dbraw/zinc/54/02/85/1098540285.db2.gz RVMOZFDDSRFYIC-OLZOCXBDSA-N 2 2 328.407 2.262 10 0 EEAELP COCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001479504079 1098571556 /nfs/dbraw/zinc/57/15/56/1098571556.db2.gz RBBUAPVEFLNXSS-OAHLLOKOSA-N 2 2 348.491 2.000 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](C)Cc2c(F)cccc2F)C1 ZINC001479796396 1099011049 /nfs/dbraw/zinc/01/10/49/1099011049.db2.gz HFBKSFAOROHDPQ-AWEZNQCLSA-N 2 2 339.430 2.245 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2c(F)cccc2F)C1 ZINC001479796396 1099011062 /nfs/dbraw/zinc/01/10/62/1099011062.db2.gz HFBKSFAOROHDPQ-AWEZNQCLSA-N 2 2 339.430 2.245 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2c(F)cccc2F)C1 ZINC001479796396 1099011074 /nfs/dbraw/zinc/01/10/74/1099011074.db2.gz HFBKSFAOROHDPQ-AWEZNQCLSA-N 2 2 339.430 2.245 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2c(F)cccc2F)C1 ZINC001479796396 1099011086 /nfs/dbraw/zinc/01/10/86/1099011086.db2.gz HFBKSFAOROHDPQ-AWEZNQCLSA-N 2 2 339.430 2.245 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479956330 1099393859 /nfs/dbraw/zinc/39/38/59/1099393859.db2.gz FCVXYYNCXIJEFL-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479956330 1099393872 /nfs/dbraw/zinc/39/38/72/1099393872.db2.gz FCVXYYNCXIJEFL-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)s1 ZINC001479964937 1099408382 /nfs/dbraw/zinc/40/83/82/1099408382.db2.gz FPSZLDMYRYACTB-SWLSCSKDSA-N 2 2 347.488 2.298 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)s1 ZINC001479964937 1099408387 /nfs/dbraw/zinc/40/83/87/1099408387.db2.gz FPSZLDMYRYACTB-SWLSCSKDSA-N 2 2 347.488 2.298 10 0 EEAELP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001480030801 1099519790 /nfs/dbraw/zinc/51/97/90/1099519790.db2.gz PXAWSFYNFXTIDZ-IRXDYDNUSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C2CC2)s1 ZINC001480054427 1099568992 /nfs/dbraw/zinc/56/89/92/1099568992.db2.gz XMPXIKHSWOJROL-BDJLRTHQSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C2CC2)s1 ZINC001480054427 1099569003 /nfs/dbraw/zinc/56/90/03/1099569003.db2.gz XMPXIKHSWOJROL-BDJLRTHQSA-N 2 2 347.488 2.038 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001444990652 1100119842 /nfs/dbraw/zinc/11/98/42/1100119842.db2.gz UYTPBCWZYCAIRM-FUHWJXTLSA-N 2 2 348.491 2.173 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)Cc2cc(C3CC3)no2)CC[N@H+]1C ZINC001444990652 1100119851 /nfs/dbraw/zinc/11/98/51/1100119851.db2.gz UYTPBCWZYCAIRM-FUHWJXTLSA-N 2 2 348.491 2.173 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@H+](C)Cc2cc(C3CC3)no2)CC[NH+]1C ZINC001444990652 1100119858 /nfs/dbraw/zinc/11/98/58/1100119858.db2.gz UYTPBCWZYCAIRM-FUHWJXTLSA-N 2 2 348.491 2.173 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)CC[N@@H+](C)Cc2cc(C3CC3)no2)CC[NH+]1C ZINC001444990652 1100119865 /nfs/dbraw/zinc/11/98/65/1100119865.db2.gz UYTPBCWZYCAIRM-FUHWJXTLSA-N 2 2 348.491 2.173 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21 ZINC001480391640 1100196418 /nfs/dbraw/zinc/19/64/18/1100196418.db2.gz DMZRYERMSHKCBS-MYDQCARLSA-N 2 2 336.867 2.196 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21 ZINC001480391640 1100196419 /nfs/dbraw/zinc/19/64/19/1100196419.db2.gz DMZRYERMSHKCBS-MYDQCARLSA-N 2 2 336.867 2.196 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(C(F)F)cc1)C(=O)Cn1cc[nH+]c1 ZINC001445093677 1100317315 /nfs/dbraw/zinc/31/73/15/1100317315.db2.gz RVKOCOPVWKRHPX-UHFFFAOYSA-N 2 2 336.386 2.411 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc(C(F)F)cc1)C(=O)Cn1cc[nH+]c1 ZINC001445093677 1100317324 /nfs/dbraw/zinc/31/73/24/1100317324.db2.gz RVKOCOPVWKRHPX-UHFFFAOYSA-N 2 2 336.386 2.411 10 0 EEAELP C[C@H](C[NH2+]CCOc1ccccc1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001496206351 1100746162 /nfs/dbraw/zinc/74/61/62/1100746162.db2.gz IKEWURQPKADKNY-OAHLLOKOSA-N 2 2 344.459 2.203 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cccc(F)c1Cl ZINC001495115951 1100773683 /nfs/dbraw/zinc/77/36/83/1100773683.db2.gz FGVHRUZHZGEVSF-CYBMUJFWSA-N 2 2 338.814 2.360 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229656 1100919348 /nfs/dbraw/zinc/91/93/48/1100919348.db2.gz JOCKJAXYIVLORU-ICSRJNTNSA-N 2 2 349.519 2.082 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229656 1100919352 /nfs/dbraw/zinc/91/93/52/1100919352.db2.gz JOCKJAXYIVLORU-ICSRJNTNSA-N 2 2 349.519 2.082 10 0 EEAELP CN(CC[N@H+](C)CCOCC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496731209 1101360975 /nfs/dbraw/zinc/36/09/75/1101360975.db2.gz MDLFOBFQFQDZGO-UHFFFAOYSA-N 2 2 344.459 2.383 10 0 EEAELP CN(CC[N@@H+](C)CCOCC1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496731209 1101360988 /nfs/dbraw/zinc/36/09/88/1101360988.db2.gz MDLFOBFQFQDZGO-UHFFFAOYSA-N 2 2 344.459 2.383 10 0 EEAELP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+][C@H]1CCc2ccccc21 ZINC001495708462 1101468875 /nfs/dbraw/zinc/46/88/75/1101468875.db2.gz VAMSGQCSGKCEIZ-YJBOKZPZSA-N 2 2 340.471 2.382 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001496796717 1101485924 /nfs/dbraw/zinc/48/59/24/1101485924.db2.gz KZSPWSCLGBVQIO-WMZOPIPTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001496796717 1101485928 /nfs/dbraw/zinc/48/59/28/1101485928.db2.gz KZSPWSCLGBVQIO-WMZOPIPTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001496796717 1101485933 /nfs/dbraw/zinc/48/59/33/1101485933.db2.gz KZSPWSCLGBVQIO-WMZOPIPTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001496796717 1101485937 /nfs/dbraw/zinc/48/59/37/1101485937.db2.gz KZSPWSCLGBVQIO-WMZOPIPTSA-N 2 2 348.491 2.144 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001495747314 1101523717 /nfs/dbraw/zinc/52/37/17/1101523717.db2.gz JICRRZPTTAILRR-ZBEGNZNMSA-N 2 2 348.397 2.260 10 0 EEAELP CO[C@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001496096129 1102052482 /nfs/dbraw/zinc/05/24/82/1102052482.db2.gz SDXFSVGNCOPZBE-SCLBCKFNSA-N 2 2 344.459 2.428 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001496099111 1102058946 /nfs/dbraw/zinc/05/89/46/1102058946.db2.gz YGGTZNBEKPWNCL-CQSZACIVSA-N 2 2 345.418 2.409 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001497216988 1102140869 /nfs/dbraw/zinc/14/08/69/1102140869.db2.gz HKYFSDPYGDVQJZ-FUHWJXTLSA-N 2 2 340.471 2.173 10 0 EEAELP CC(C)n1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001496169385 1102163525 /nfs/dbraw/zinc/16/35/25/1102163525.db2.gz BRXLZUJSPRKSSV-JKSUJKDBSA-N 2 2 346.479 2.248 10 0 EEAELP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496192343 1102197223 /nfs/dbraw/zinc/19/72/23/1102197223.db2.gz OGRTXEZPFGZXPT-CYBMUJFWSA-N 2 2 334.851 2.285 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001497840698 1103176780 /nfs/dbraw/zinc/17/67/80/1103176780.db2.gz PHLXMWAJXDCAMV-NVXWUHKLSA-N 2 2 340.471 2.302 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1C ZINC001447921834 1103605880 /nfs/dbraw/zinc/60/58/80/1103605880.db2.gz PFDZRSGABHCDEE-OLZOCXBDSA-N 2 2 332.423 2.391 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@H](N(C)C(=O)CCCn3cc[nH+]c3)C2)s1 ZINC001494878227 1104490768 /nfs/dbraw/zinc/49/07/68/1104490768.db2.gz XJFLPDSZRRWCJU-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCn3cc[nH+]c3)C2)s1 ZINC001494878227 1104490773 /nfs/dbraw/zinc/49/07/73/1104490773.db2.gz XJFLPDSZRRWCJU-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC001498062812 1106866736 /nfs/dbraw/zinc/86/67/36/1106866736.db2.gz RPXAGNJKBIGCAD-WFASDCNBSA-N 2 2 346.500 2.418 10 0 EEAELP Cc1nocc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001480834480 1107233494 /nfs/dbraw/zinc/23/34/94/1107233494.db2.gz PNPYFGFMHGBOSW-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1nocc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001480834480 1107233506 /nfs/dbraw/zinc/23/35/06/1107233506.db2.gz PNPYFGFMHGBOSW-INIZCTEOSA-N 2 2 345.447 2.118 10 0 EEAELP C[C@H](C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001498466975 1107586757 /nfs/dbraw/zinc/58/67/57/1107586757.db2.gz XPPTVYRKPNECIS-OLZOCXBDSA-N 2 2 336.386 2.359 10 0 EEAELP C[C@H](C[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001498466975 1107586765 /nfs/dbraw/zinc/58/67/65/1107586765.db2.gz XPPTVYRKPNECIS-OLZOCXBDSA-N 2 2 336.386 2.359 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1nocc1C ZINC001493290259 1107866179 /nfs/dbraw/zinc/86/61/79/1107866179.db2.gz FENUUUORPCFXRU-QGZVFWFLSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1nocc1C ZINC001493290259 1107866194 /nfs/dbraw/zinc/86/61/94/1107866194.db2.gz FENUUUORPCFXRU-QGZVFWFLSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)Cc1nocc1C ZINC001493290259 1107866210 /nfs/dbraw/zinc/86/62/10/1107866210.db2.gz FENUUUORPCFXRU-QGZVFWFLSA-N 2 2 336.480 2.184 10 0 EEAELP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)Cc1nocc1C ZINC001493290259 1107866228 /nfs/dbraw/zinc/86/62/28/1107866228.db2.gz FENUUUORPCFXRU-QGZVFWFLSA-N 2 2 336.480 2.184 10 0 EEAELP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)Cc1c[nH+]cn1C ZINC001493763499 1108639308 /nfs/dbraw/zinc/63/93/08/1108639308.db2.gz MHFGSUPHTQIVDD-KRWDZBQOSA-N 2 2 340.471 2.131 10 0 EEAELP COCC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)OC(C)(C)C ZINC001459487657 1110196050 /nfs/dbraw/zinc/19/60/50/1110196050.db2.gz WBJCRVLOIJQBNJ-UHFFFAOYSA-N 2 2 325.453 2.262 10 0 EEAELP COCC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)OC(C)(C)C ZINC001459487657 1110196051 /nfs/dbraw/zinc/19/60/51/1110196051.db2.gz WBJCRVLOIJQBNJ-UHFFFAOYSA-N 2 2 325.453 2.262 10 0 EEAELP C[NH+](C)CCN1CC[N@H+](CCCSCc2ccccc2)CC1=O ZINC001460340675 1110263129 /nfs/dbraw/zinc/26/31/29/1110263129.db2.gz SBRKTAHSOYILIC-UHFFFAOYSA-N 2 2 335.517 2.016 10 0 EEAELP C[NH+](C)CCN1CC[N@@H+](CCCSCc2ccccc2)CC1=O ZINC001460340675 1110263130 /nfs/dbraw/zinc/26/31/30/1110263130.db2.gz SBRKTAHSOYILIC-UHFFFAOYSA-N 2 2 335.517 2.016 10 0 EEAELP Cn1ccnc1C1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001460723130 1110322037 /nfs/dbraw/zinc/32/20/37/1110322037.db2.gz NYYNGILDSLRVNN-UHFFFAOYSA-N 2 2 337.427 2.089 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001479300080 1110678056 /nfs/dbraw/zinc/67/80/56/1110678056.db2.gz MYGCFJCDGPLILB-OTVXOJSOSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001479300080 1110678058 /nfs/dbraw/zinc/67/80/58/1110678058.db2.gz MYGCFJCDGPLILB-OTVXOJSOSA-N 2 2 347.850 2.075 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001479345178 1110683861 /nfs/dbraw/zinc/68/38/61/1110683861.db2.gz ABABTTUGSQKNBW-WOVMCDHWSA-N 2 2 341.459 2.086 10 0 EEAELP COc1ccc(C)cc1C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001499128199 1112139275 /nfs/dbraw/zinc/13/92/75/1112139275.db2.gz UTECYRYWIZGMCX-KRWDZBQOSA-N 2 2 333.476 2.034 10 0 EEAELP COc1ccc(C)cc1C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001499128199 1112139278 /nfs/dbraw/zinc/13/92/78/1112139278.db2.gz UTECYRYWIZGMCX-KRWDZBQOSA-N 2 2 333.476 2.034 10 0 EEAELP COc1ccc(C)cc1C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001499128199 1112139284 /nfs/dbraw/zinc/13/92/84/1112139284.db2.gz UTECYRYWIZGMCX-KRWDZBQOSA-N 2 2 333.476 2.034 10 0 EEAELP COc1ccc(C)cc1C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001499128199 1112139286 /nfs/dbraw/zinc/13/92/86/1112139286.db2.gz UTECYRYWIZGMCX-KRWDZBQOSA-N 2 2 333.476 2.034 10 0 EEAELP CC[NH2+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1CC ZINC001501022326 1113171177 /nfs/dbraw/zinc/17/11/77/1113171177.db2.gz OESBNCGPFJGBOM-WMZOPIPTSA-N 2 2 340.471 2.475 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C2(CNC(=O)Cc3c[nH]c[nH+]3)CCC2)c1 ZINC001502003139 1113554181 /nfs/dbraw/zinc/55/41/81/1113554181.db2.gz KURBXSWQVHYKGC-UHFFFAOYSA-N 2 2 330.407 2.228 10 0 EEAELP Cc1cccc(CCC[NH2+]CC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001505521917 1114033502 /nfs/dbraw/zinc/03/35/02/1114033502.db2.gz NXQGNHUZSHBCBH-UHFFFAOYSA-N 2 2 340.471 2.378 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc3nccs3)ccn12 ZINC001505606293 1114081117 /nfs/dbraw/zinc/08/11/17/1114081117.db2.gz PTNOCKKNYHXJHY-STQMWFEESA-N 2 2 343.456 2.396 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001505700866 1114139413 /nfs/dbraw/zinc/13/94/13/1114139413.db2.gz DUPDOXFEEAJZGX-UONOGXRCSA-N 2 2 349.504 2.454 10 0 EEAELP Cc1cc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)sn1 ZINC001506753568 1114867220 /nfs/dbraw/zinc/86/72/20/1114867220.db2.gz QNSMGKJVYMPARU-HNNXBMFYSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1cc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C2)sn1 ZINC001506753568 1114867223 /nfs/dbraw/zinc/86/72/23/1114867223.db2.gz QNSMGKJVYMPARU-HNNXBMFYSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1cc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)sn1 ZINC001506753568 1114867225 /nfs/dbraw/zinc/86/72/25/1114867225.db2.gz QNSMGKJVYMPARU-HNNXBMFYSA-N 2 2 338.521 2.118 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)sn1 ZINC001506753568 1114867227 /nfs/dbraw/zinc/86/72/27/1114867227.db2.gz QNSMGKJVYMPARU-HNNXBMFYSA-N 2 2 338.521 2.118 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC=C(Cl)Cl ZINC001506995255 1115039242 /nfs/dbraw/zinc/03/92/42/1115039242.db2.gz KEKLTRVCJAJOQE-CYBMUJFWSA-N 2 2 347.290 2.402 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001507417706 1115259016 /nfs/dbraw/zinc/25/90/16/1115259016.db2.gz YAAYGSLYBSUVFF-IAGOWNOFSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCN(C(=O)[C@@H]2CCCC[NH+]2C)C(C)C)o1 ZINC001507828205 1115353421 /nfs/dbraw/zinc/35/34/21/1115353421.db2.gz LWKCVYCQBBVOSH-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1ncc(C[N@H+](C)CCN(C(=O)[C@@H]2CCCC[NH+]2C)C(C)C)o1 ZINC001507828205 1115353423 /nfs/dbraw/zinc/35/34/23/1115353423.db2.gz LWKCVYCQBBVOSH-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1ncc(C[NH+](C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)o1 ZINC001507828205 1115353427 /nfs/dbraw/zinc/35/34/27/1115353427.db2.gz LWKCVYCQBBVOSH-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1ncc(C[NH+](C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C(C)C)o1 ZINC001507828205 1115353429 /nfs/dbraw/zinc/35/34/29/1115353429.db2.gz LWKCVYCQBBVOSH-KRWDZBQOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001508220821 1115450480 /nfs/dbraw/zinc/45/04/80/1115450480.db2.gz BTOLIMRKRGPEJK-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC=C(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001508220821 1115450481 /nfs/dbraw/zinc/45/04/81/1115450481.db2.gz BTOLIMRKRGPEJK-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567913762 1124175406 /nfs/dbraw/zinc/17/54/06/1124175406.db2.gz IQJBGWWNPFYCLM-FEFZKZJHSA-N 2 2 330.476 2.335 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567913762 1124175408 /nfs/dbraw/zinc/17/54/08/1124175408.db2.gz IQJBGWWNPFYCLM-FEFZKZJHSA-N 2 2 330.476 2.335 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ncc(C)o2)C1 ZINC001567943555 1124197315 /nfs/dbraw/zinc/19/73/15/1124197315.db2.gz CJSFDAGEBLTUQS-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC001567943555 1124197319 /nfs/dbraw/zinc/19/73/19/1124197319.db2.gz CJSFDAGEBLTUQS-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccnc(Cl)c1 ZINC001567970998 1124211900 /nfs/dbraw/zinc/21/19/00/1124211900.db2.gz WCCHRKLGODYGDM-AWEZNQCLSA-N 2 2 335.839 2.006 10 0 EEAELP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001568633867 1124647718 /nfs/dbraw/zinc/64/77/18/1124647718.db2.gz PAIGFSCUUGLREB-KDOFPFPSSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001568633867 1124647722 /nfs/dbraw/zinc/64/77/22/1124647722.db2.gz PAIGFSCUUGLREB-KDOFPFPSSA-N 2 2 347.507 2.465 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001568702576 1124717760 /nfs/dbraw/zinc/71/77/60/1124717760.db2.gz BJDKDWSZZGHOSW-GFCCVEGCSA-N 2 2 349.504 2.111 10 0 EEAELP CCN(CC[NH2+]CC=C(Cl)Cl)C(=O)CCc1c[nH+]cn1C ZINC001568794907 1124807165 /nfs/dbraw/zinc/80/71/65/1124807165.db2.gz GNWQBQDCAYBGQI-UHFFFAOYSA-N 2 2 333.263 2.110 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001568860488 1124885277 /nfs/dbraw/zinc/88/52/77/1124885277.db2.gz PFKJOAHICMOTRK-UPHRSURJSA-N 2 2 332.835 2.458 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001568860488 1124885288 /nfs/dbraw/zinc/88/52/88/1124885288.db2.gz PFKJOAHICMOTRK-UPHRSURJSA-N 2 2 332.835 2.458 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1cccc(F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001568875189 1124900702 /nfs/dbraw/zinc/90/07/02/1124900702.db2.gz IBOOOMVJGZISQO-STOZHHMFSA-N 2 2 342.418 2.047 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001568925866 1124955271 /nfs/dbraw/zinc/95/52/71/1124955271.db2.gz XRSSSTSZKBBSLN-ZMXQLYDGSA-N 2 2 342.418 2.431 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)cc1 ZINC001568954018 1124988807 /nfs/dbraw/zinc/98/88/07/1124988807.db2.gz KKYSOMHQSROFFC-IHWYPQMZSA-N 2 2 332.835 2.376 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(F)c(F)c1 ZINC001569244119 1125190059 /nfs/dbraw/zinc/19/00/59/1125190059.db2.gz FTEFORSRTDWWDQ-LBPRGKRZSA-N 2 2 336.386 2.430 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(Cl)n1)C(=O)CCc1c[nH+]cn1C ZINC001569261920 1125203595 /nfs/dbraw/zinc/20/35/95/1125203595.db2.gz IEZHWTGBLOEPEX-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000367181879 282146171 /nfs/dbraw/zinc/14/61/71/282146171.db2.gz UIPIAMRJDZLZMA-LJQANCHMSA-N 2 2 338.455 2.272 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000367181879 282146172 /nfs/dbraw/zinc/14/61/72/282146172.db2.gz UIPIAMRJDZLZMA-LJQANCHMSA-N 2 2 338.455 2.272 10 0 EEAELP CC(C)n1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000187858692 539617619 /nfs/dbraw/zinc/61/76/19/539617619.db2.gz CMLNVDIFWVIHLS-UHFFFAOYSA-N 2 2 347.507 2.144 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000194211995 539650808 /nfs/dbraw/zinc/65/08/08/539650808.db2.gz ZMMFLSBVWWEKEN-UHFFFAOYSA-N 2 2 332.835 2.170 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000194211995 539650813 /nfs/dbraw/zinc/65/08/13/539650813.db2.gz ZMMFLSBVWWEKEN-UHFFFAOYSA-N 2 2 332.835 2.170 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NC3(c4ccccc4)CCC3)C2)C1 ZINC000429039751 283170293 /nfs/dbraw/zinc/17/02/93/283170293.db2.gz JAIXBMJSSXLICA-IBGZPJMESA-N 2 2 327.472 2.210 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NC3(c4ccccc4)CCC3)C2)C1 ZINC000429039751 283170294 /nfs/dbraw/zinc/17/02/94/283170294.db2.gz JAIXBMJSSXLICA-IBGZPJMESA-N 2 2 327.472 2.210 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)C1 ZINC000429039751 283170295 /nfs/dbraw/zinc/17/02/95/283170295.db2.gz JAIXBMJSSXLICA-IBGZPJMESA-N 2 2 327.472 2.210 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)C1 ZINC000429039751 283170296 /nfs/dbraw/zinc/17/02/96/283170296.db2.gz JAIXBMJSSXLICA-IBGZPJMESA-N 2 2 327.472 2.210 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)co1 ZINC000072423797 216212984 /nfs/dbraw/zinc/21/29/84/216212984.db2.gz HFVININRYUWZTP-HNNXBMFYSA-N 2 2 344.463 2.087 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](c3nnc(C[NH+]4CCCC4)n3C)C2)co1 ZINC000072423797 216212986 /nfs/dbraw/zinc/21/29/86/216212986.db2.gz HFVININRYUWZTP-HNNXBMFYSA-N 2 2 344.463 2.087 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415957564 239020639 /nfs/dbraw/zinc/02/06/39/239020639.db2.gz MQAUMHVCGLJDJS-UHFFFAOYSA-N 2 2 325.416 2.203 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422700636 240183394 /nfs/dbraw/zinc/18/33/94/240183394.db2.gz AMNZMMKEPCQDSR-VQIMIIECSA-N 2 2 348.487 2.239 10 0 EEAELP c1ccc(C[N@@H+]2CCC[C@H](N[C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826549 240246920 /nfs/dbraw/zinc/24/69/20/240246920.db2.gz CLUZIRAHOGFYDB-XUVXKRRUSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(C[N@H+]2CCC[C@H](N[C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826549 240246927 /nfs/dbraw/zinc/24/69/27/240246927.db2.gz CLUZIRAHOGFYDB-XUVXKRRUSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(CN2CCC[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826549 240246933 /nfs/dbraw/zinc/24/69/33/240246933.db2.gz CLUZIRAHOGFYDB-XUVXKRRUSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(CC[NH+]2CCC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422840269 240254806 /nfs/dbraw/zinc/25/48/06/240254806.db2.gz BFTIFLBPTJWXNX-NHCUHLMSSA-N 3 2 343.515 2.050 10 0 EEAELP COc1cc(Br)ccc1C[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423062409 240346681 /nfs/dbraw/zinc/34/66/81/240346681.db2.gz MYARUEYHEKWFHO-BXUZGUMPSA-N 2 2 343.265 2.314 10 0 EEAELP CC(C)[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000438484342 242022089 /nfs/dbraw/zinc/02/20/89/242022089.db2.gz QRTGLLDNRPEZEW-QGZVFWFLSA-N 2 2 335.517 2.370 10 0 EEAELP CC(C)[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000438484342 242022095 /nfs/dbraw/zinc/02/20/95/242022095.db2.gz QRTGLLDNRPEZEW-QGZVFWFLSA-N 2 2 335.517 2.370 10 0 EEAELP C[C@]1(F)CCC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000451120711 243006729 /nfs/dbraw/zinc/00/67/29/243006729.db2.gz LGZNTSPEWWSEBH-IBGZPJMESA-N 2 2 333.451 2.155 10 0 EEAELP C[C@]1(F)CCC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000451120711 243006734 /nfs/dbraw/zinc/00/67/34/243006734.db2.gz LGZNTSPEWWSEBH-IBGZPJMESA-N 2 2 333.451 2.155 10 0 EEAELP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1CC[NH+](C2CC2)CC1 ZINC000264251310 246244000 /nfs/dbraw/zinc/24/40/00/246244000.db2.gz JSYCPZABHCOAPJ-UHFFFAOYSA-N 2 2 343.475 2.062 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc(NC(=O)C[NH+](C)C)c2)C1 ZINC000095410388 218347385 /nfs/dbraw/zinc/34/73/85/218347385.db2.gz GPGGRELVDFJKJY-QAPCUYQASA-N 2 2 332.492 2.005 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NCc2cccc(NC(=O)C[NH+](C)C)c2)C1 ZINC000095410388 218347387 /nfs/dbraw/zinc/34/73/87/218347387.db2.gz GPGGRELVDFJKJY-QAPCUYQASA-N 2 2 332.492 2.005 10 0 EEAELP CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)C[NH+](C)C)c2)C1 ZINC000095410388 218347389 /nfs/dbraw/zinc/34/73/89/218347389.db2.gz GPGGRELVDFJKJY-QAPCUYQASA-N 2 2 332.492 2.005 10 0 EEAELP Brc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000422940910 532964514 /nfs/dbraw/zinc/96/45/14/532964514.db2.gz NSVRNDWCZOGCQR-DGCLKSJQSA-N 2 2 331.279 2.367 10 0 EEAELP CS[C@@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000270662642 256158548 /nfs/dbraw/zinc/15/85/48/256158548.db2.gz PFGRIPIQNGGTFI-IAGOWNOFSA-N 2 2 330.501 2.409 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000273024998 256258233 /nfs/dbraw/zinc/25/82/33/256258233.db2.gz FFOYQPZKVNLMFA-MRXNPFEDSA-N 2 2 348.422 2.119 10 0 EEAELP COCC[N@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000273024998 256258234 /nfs/dbraw/zinc/25/82/34/256258234.db2.gz FFOYQPZKVNLMFA-MRXNPFEDSA-N 2 2 348.422 2.119 10 0 EEAELP CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000119532750 221341183 /nfs/dbraw/zinc/34/11/83/221341183.db2.gz XKOBECSSVUCDBS-OAHLLOKOSA-N 2 2 325.478 2.029 10 0 EEAELP CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000119532750 221341189 /nfs/dbraw/zinc/34/11/89/221341189.db2.gz XKOBECSSVUCDBS-OAHLLOKOSA-N 2 2 325.478 2.029 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000091633719 292221671 /nfs/dbraw/zinc/22/16/71/292221671.db2.gz DNTGTVCZXGICEF-IAGOWNOFSA-N 2 2 335.467 2.225 10 0 EEAELP Cc1cc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000080968059 159146491 /nfs/dbraw/zinc/14/64/91/159146491.db2.gz XVTXTKJLXLVIGG-UHFFFAOYSA-N 2 2 334.464 2.336 10 0 EEAELP Cc1cc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000080968059 159146495 /nfs/dbraw/zinc/14/64/95/159146495.db2.gz XVTXTKJLXLVIGG-UHFFFAOYSA-N 2 2 334.464 2.336 10 0 EEAELP Cc1cccn2c(CN3CCC([N@H+]4CCO[C@@H](C)C4)CC3)c[nH+]c12 ZINC000092079530 159214006 /nfs/dbraw/zinc/21/40/06/159214006.db2.gz CHHRLLPCZYLSBA-INIZCTEOSA-N 2 2 328.460 2.328 10 0 EEAELP Cc1cccn2c(CN3CCC([N@@H+]4CCO[C@@H](C)C4)CC3)c[nH+]c12 ZINC000092079530 159214007 /nfs/dbraw/zinc/21/40/07/159214007.db2.gz CHHRLLPCZYLSBA-INIZCTEOSA-N 2 2 328.460 2.328 10 0 EEAELP O=C(C[N@@H+]1CCOC2(C1)CCCCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000119426777 159378024 /nfs/dbraw/zinc/37/80/24/159378024.db2.gz IEXHGZWKPIMHQX-UHFFFAOYSA-N 2 2 349.519 2.155 10 0 EEAELP O=C(C[N@H+]1CCOC2(C1)CCCCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000119426777 159378026 /nfs/dbraw/zinc/37/80/26/159378026.db2.gz IEXHGZWKPIMHQX-UHFFFAOYSA-N 2 2 349.519 2.155 10 0 EEAELP COc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1F ZINC000192950344 160177241 /nfs/dbraw/zinc/17/72/41/160177241.db2.gz FRCVBQNYLWWGDU-KRWDZBQOSA-N 2 2 335.467 2.436 10 0 EEAELP COc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1F ZINC000192950344 160177243 /nfs/dbraw/zinc/17/72/43/160177243.db2.gz FRCVBQNYLWWGDU-KRWDZBQOSA-N 2 2 335.467 2.436 10 0 EEAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000246390627 160276441 /nfs/dbraw/zinc/27/64/41/160276441.db2.gz PDUXJNJDERCQOM-APWZRJJASA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000246390627 160276442 /nfs/dbraw/zinc/27/64/42/160276442.db2.gz PDUXJNJDERCQOM-APWZRJJASA-N 2 2 345.487 2.242 10 0 EEAELP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000343190485 161111774 /nfs/dbraw/zinc/11/17/74/161111774.db2.gz FPIGKQIMHHSTST-PZJWPPBQSA-N 3 2 344.547 2.437 10 0 EEAELP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000343190485 161111775 /nfs/dbraw/zinc/11/17/75/161111775.db2.gz FPIGKQIMHHSTST-PZJWPPBQSA-N 3 2 344.547 2.437 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC(F)F)CC2)[C@@H](C)C1 ZINC000343498415 161141532 /nfs/dbraw/zinc/14/15/32/161141532.db2.gz AHCTVELUMUATED-DZGCQCFKSA-N 2 2 331.451 2.152 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC(F)F)CC2)[C@@H](C)C1 ZINC000343498415 161141533 /nfs/dbraw/zinc/14/15/33/161141533.db2.gz AHCTVELUMUATED-DZGCQCFKSA-N 2 2 331.451 2.152 10 0 EEAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927623 161181097 /nfs/dbraw/zinc/18/10/97/161181097.db2.gz SJJSIEOHMYAITI-PMPSAXMXSA-N 2 2 349.523 2.386 10 0 EEAELP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343927623 161181098 /nfs/dbraw/zinc/18/10/98/161181098.db2.gz SJJSIEOHMYAITI-PMPSAXMXSA-N 2 2 349.523 2.386 10 0 EEAELP CCC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCOCC1)[NH+](C)C ZINC000137160577 292460136 /nfs/dbraw/zinc/46/01/36/292460136.db2.gz IMABZFRCPRUTCG-OALUTQOASA-N 2 2 347.503 2.215 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)CC(C)C ZINC000360497746 164323205 /nfs/dbraw/zinc/32/32/05/164323205.db2.gz BXCBNIWQYJZOSP-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP Fc1ccc(-n2cc(C[NH2+][C@H]3CCc4[nH+]c[nH]c4C3)nn2)c(Cl)c1 ZINC000368221528 166072162 /nfs/dbraw/zinc/07/21/62/166072162.db2.gz IKAFEZAWYWGHBW-NSHDSACASA-N 2 2 346.797 2.430 10 0 EEAELP Fc1ccc(-n2cc(C[NH2+][C@H]3CCc4[nH]c[nH+]c4C3)nn2)c(Cl)c1 ZINC000368221528 166072163 /nfs/dbraw/zinc/07/21/63/166072163.db2.gz IKAFEZAWYWGHBW-NSHDSACASA-N 2 2 346.797 2.430 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)NC1CC([NH+]2CCCCC2)C1 ZINC000369091538 166186750 /nfs/dbraw/zinc/18/67/50/166186750.db2.gz JEGHLJAVZKJBBC-UHFFFAOYSA-N 2 2 331.464 2.200 10 0 EEAELP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374051453 167010557 /nfs/dbraw/zinc/01/05/57/167010557.db2.gz NVKMRNCPMRPZDY-RKOGWWSCSA-N 2 2 341.499 2.321 10 0 EEAELP C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374051453 167010558 /nfs/dbraw/zinc/01/05/58/167010558.db2.gz NVKMRNCPMRPZDY-RKOGWWSCSA-N 2 2 341.499 2.321 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000375621842 167168800 /nfs/dbraw/zinc/16/88/00/167168800.db2.gz XOVANHLTMIUYJA-LJQANCHMSA-N 2 2 333.524 2.374 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000375621842 167168803 /nfs/dbraw/zinc/16/88/03/167168803.db2.gz XOVANHLTMIUYJA-LJQANCHMSA-N 2 2 333.524 2.374 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376651336 167368106 /nfs/dbraw/zinc/36/81/06/167368106.db2.gz DZBCNLPADAYNAB-CVEARBPZSA-N 2 2 333.480 2.307 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376651338 167368317 /nfs/dbraw/zinc/36/83/17/167368317.db2.gz DZBCNLPADAYNAB-HZPDHXFCSA-N 2 2 333.480 2.307 10 0 EEAELP CCOCc1ccc(CNC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123112423 222218689 /nfs/dbraw/zinc/21/86/89/222218689.db2.gz GZIYSPIZJDEWMJ-VQIMIIECSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123112423 222218694 /nfs/dbraw/zinc/21/86/94/222218694.db2.gz GZIYSPIZJDEWMJ-VQIMIIECSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123112423 222218697 /nfs/dbraw/zinc/21/86/97/222218697.db2.gz GZIYSPIZJDEWMJ-VQIMIIECSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123112423 222218700 /nfs/dbraw/zinc/21/87/00/222218700.db2.gz GZIYSPIZJDEWMJ-VQIMIIECSA-N 2 2 347.503 2.254 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)CCCOc2ccccc2)CC[N@@H+]1C ZINC000123647100 222311081 /nfs/dbraw/zinc/31/10/81/222311081.db2.gz KVVROKXCAOTZPN-MSOLQXFVSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N(C)CCCOc2ccccc2)CC[N@H+]1C ZINC000123647100 222311083 /nfs/dbraw/zinc/31/10/83/222311083.db2.gz KVVROKXCAOTZPN-MSOLQXFVSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)CCCOc2ccccc2)CC[NH+]1C ZINC000123647100 222311086 /nfs/dbraw/zinc/31/10/86/222311086.db2.gz KVVROKXCAOTZPN-MSOLQXFVSA-N 2 2 347.503 2.328 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N(C)CCCOc2ccccc2)CC[NH+]1C ZINC000123647100 222311090 /nfs/dbraw/zinc/31/10/90/222311090.db2.gz KVVROKXCAOTZPN-MSOLQXFVSA-N 2 2 347.503 2.328 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052208 275368425 /nfs/dbraw/zinc/36/84/25/275368425.db2.gz BRLATMSJQXZOGR-WMZOPIPTSA-N 2 2 333.863 2.473 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052208 275368426 /nfs/dbraw/zinc/36/84/26/275368426.db2.gz BRLATMSJQXZOGR-WMZOPIPTSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052208 275368427 /nfs/dbraw/zinc/36/84/27/275368427.db2.gz BRLATMSJQXZOGR-WMZOPIPTSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)C1 ZINC000292052208 275368428 /nfs/dbraw/zinc/36/84/28/275368428.db2.gz BRLATMSJQXZOGR-WMZOPIPTSA-N 2 2 333.863 2.473 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292179630 275389058 /nfs/dbraw/zinc/38/90/58/275389058.db2.gz QLCVNBADYQMTPS-KDOFPFPSSA-N 2 2 333.501 2.049 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292179630 275389060 /nfs/dbraw/zinc/38/90/60/275389060.db2.gz QLCVNBADYQMTPS-KDOFPFPSSA-N 2 2 333.501 2.049 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292179630 275389061 /nfs/dbraw/zinc/38/90/61/275389061.db2.gz QLCVNBADYQMTPS-KDOFPFPSSA-N 2 2 333.501 2.049 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292179630 275389062 /nfs/dbraw/zinc/38/90/62/275389062.db2.gz QLCVNBADYQMTPS-KDOFPFPSSA-N 2 2 333.501 2.049 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1S(C)(=O)=O)CCC2 ZINC000371556091 279004097 /nfs/dbraw/zinc/00/40/97/279004097.db2.gz WPFXQCGTNVRJRS-ZNMIVQPWSA-N 2 2 325.478 2.014 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000298503396 294514016 /nfs/dbraw/zinc/51/40/16/294514016.db2.gz RPUCXLPWBHACFW-UHFFFAOYSA-N 2 2 342.447 2.014 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@@H]3C)n2)C1 ZINC000333189755 312109210 /nfs/dbraw/zinc/10/92/10/312109210.db2.gz UQWBALFMPOAEQY-STQMWFEESA-N 2 2 337.493 2.201 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH2+]C[C@@H]3C)n2)C1 ZINC000333189755 312109212 /nfs/dbraw/zinc/10/92/12/312109212.db2.gz UQWBALFMPOAEQY-STQMWFEESA-N 2 2 337.493 2.201 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC3(CC[NH2+]3)CC2)nc[nH+]1 ZINC000333286779 312125070 /nfs/dbraw/zinc/12/50/70/312125070.db2.gz NMDKDCNRDBCHBE-YJBOKZPZSA-N 2 2 345.491 2.424 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC3(CC[NH2+]3)CC2)[nH+]cn1 ZINC000333286779 312125072 /nfs/dbraw/zinc/12/50/72/312125072.db2.gz NMDKDCNRDBCHBE-YJBOKZPZSA-N 2 2 345.491 2.424 10 0 EEAELP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000333995537 312225529 /nfs/dbraw/zinc/22/55/29/312225529.db2.gz SHGJRTSCRYQKON-HUUCEWRRSA-N 2 2 348.491 2.415 10 0 EEAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527636007 317234582 /nfs/dbraw/zinc/23/45/82/317234582.db2.gz IRXIQWBJCAAPLV-NJAFHUGGSA-N 2 2 329.492 2.013 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528011450 317302257 /nfs/dbraw/zinc/30/22/57/317302257.db2.gz LIYNCNXFPALPAD-KSSFIOAISA-N 2 2 326.448 2.330 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(-n2cnnn2)c1 ZINC000528011450 317302259 /nfs/dbraw/zinc/30/22/59/317302259.db2.gz LIYNCNXFPALPAD-KSSFIOAISA-N 2 2 326.448 2.330 10 0 EEAELP CCc1cccnc1[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000542159847 318122913 /nfs/dbraw/zinc/12/29/13/318122913.db2.gz JUUZFKDBIRDESY-HOCLYGCPSA-N 2 2 341.459 2.219 10 0 EEAELP CN(C)c1nccc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000548018325 318345437 /nfs/dbraw/zinc/34/54/37/318345437.db2.gz JYCZJIHNOPZDFD-OAHLLOKOSA-N 2 2 326.448 2.065 10 0 EEAELP CN(C)c1nccc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)n1 ZINC000548018325 318345439 /nfs/dbraw/zinc/34/54/39/318345439.db2.gz JYCZJIHNOPZDFD-OAHLLOKOSA-N 2 2 326.448 2.065 10 0 EEAELP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1 ZINC000564665310 319099767 /nfs/dbraw/zinc/09/97/67/319099767.db2.gz BTCDAIAFQGLEDM-UHFFFAOYSA-N 2 2 346.475 2.247 10 0 EEAELP O=C(c1cc(C[NH+]2CCCC2)on1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000565759514 319210775 /nfs/dbraw/zinc/21/07/75/319210775.db2.gz UZNQCXLJGFWXNQ-SFHVURJKSA-N 2 2 340.427 2.057 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2sccc2Cl)C1=O ZINC000576053768 320137334 /nfs/dbraw/zinc/13/73/34/320137334.db2.gz JANBFMZJRNYHRB-LBPRGKRZSA-N 2 2 338.864 2.416 10 0 EEAELP CC[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000577646742 320268203 /nfs/dbraw/zinc/26/82/03/320268203.db2.gz VDLBMXDBJARRJH-GOSISDBHSA-N 2 2 329.488 2.281 10 0 EEAELP CC[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000577646742 320268204 /nfs/dbraw/zinc/26/82/04/320268204.db2.gz VDLBMXDBJARRJH-GOSISDBHSA-N 2 2 329.488 2.281 10 0 EEAELP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000577856462 320280268 /nfs/dbraw/zinc/28/02/68/320280268.db2.gz JYYZFQFODZJXSI-HNNXBMFYSA-N 2 2 340.471 2.043 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@@H+]1C ZINC000631461295 450606316 /nfs/dbraw/zinc/60/63/16/450606316.db2.gz CUWXMRGUWIWKPA-DOTOQJQBSA-N 2 2 326.444 2.493 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCCNc2ccc3ccccc3[nH+]2)CC[N@H+]1C ZINC000631461295 450606320 /nfs/dbraw/zinc/60/63/20/450606320.db2.gz CUWXMRGUWIWKPA-DOTOQJQBSA-N 2 2 326.444 2.493 10 0 EEAELP Cc1nc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)nc(N)[nH+]1 ZINC000631109235 451588538 /nfs/dbraw/zinc/58/85/38/451588538.db2.gz AVMBEOQRCSATSG-UHFFFAOYSA-N 2 2 346.866 2.162 10 0 EEAELP Cc1nc(N)nc(NCC2CC[NH+](Cc3ccccc3Cl)CC2)[nH+]1 ZINC000631109235 451588540 /nfs/dbraw/zinc/58/85/40/451588540.db2.gz AVMBEOQRCSATSG-UHFFFAOYSA-N 2 2 346.866 2.162 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000296180188 465107161 /nfs/dbraw/zinc/10/71/61/465107161.db2.gz BDTZSAKCBRANEE-HNNXBMFYSA-N 2 2 345.447 2.441 10 0 EEAELP CN1CC[NH+](CC2(C)CCN(c3cc[nH+]c(C4CC4)n3)CC2)CC1 ZINC000347857566 465268629 /nfs/dbraw/zinc/26/86/29/465268629.db2.gz FOYGOJRSKDHSJR-UHFFFAOYSA-N 2 2 329.492 2.208 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)s1 ZINC000347858266 465268644 /nfs/dbraw/zinc/26/86/44/465268644.db2.gz PNTSEZJRNMKJGM-AWEZNQCLSA-N 2 2 336.505 2.039 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)s1 ZINC000347858266 465268646 /nfs/dbraw/zinc/26/86/46/465268646.db2.gz PNTSEZJRNMKJGM-AWEZNQCLSA-N 2 2 336.505 2.039 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000339432538 465268715 /nfs/dbraw/zinc/26/87/15/465268715.db2.gz AZTBWVCWDWIOGP-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000339432538 465268718 /nfs/dbraw/zinc/26/87/18/465268718.db2.gz AZTBWVCWDWIOGP-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000339432538 465268722 /nfs/dbraw/zinc/26/87/22/465268722.db2.gz AZTBWVCWDWIOGP-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000339432538 465268723 /nfs/dbraw/zinc/26/87/23/465268723.db2.gz AZTBWVCWDWIOGP-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000342802535 465354459 /nfs/dbraw/zinc/35/44/59/465354459.db2.gz NNNOATIXXKUFRC-CQSZACIVSA-N 2 2 348.443 2.484 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000090003893 462763589 /nfs/dbraw/zinc/76/35/89/462763589.db2.gz ZCUHKWRKZWNYQZ-CQSZACIVSA-N 2 2 338.415 2.320 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc(-c3cccnc3)no2)C1 ZINC000090003893 462763595 /nfs/dbraw/zinc/76/35/95/462763595.db2.gz ZCUHKWRKZWNYQZ-CQSZACIVSA-N 2 2 338.415 2.320 10 0 EEAELP C[C@@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)(C)C[NH+](C)C ZINC000120616398 463018722 /nfs/dbraw/zinc/01/87/22/463018722.db2.gz IFEQTNLNNBEFCV-CVEARBPZSA-N 2 2 349.523 2.361 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)o1 ZINC000121046105 463070267 /nfs/dbraw/zinc/07/02/67/463070267.db2.gz VYDWPMVPPSMZIN-IBGZPJMESA-N 2 2 335.492 2.069 10 0 EEAELP CN(C)c1cc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC000057169741 463461943 /nfs/dbraw/zinc/46/19/43/463461943.db2.gz AOQQANCZZJNNPD-GOSISDBHSA-N 2 2 338.455 2.428 10 0 EEAELP CN(C)c1cc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000057169741 463461948 /nfs/dbraw/zinc/46/19/48/463461948.db2.gz AOQQANCZZJNNPD-GOSISDBHSA-N 2 2 338.455 2.428 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NCC[N@H+]3CCCC[C@@H]3C)cn2c1 ZINC000057224530 463468064 /nfs/dbraw/zinc/46/80/64/463468064.db2.gz ADFIRMDURLSFER-HNNXBMFYSA-N 2 2 329.448 2.316 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NCC[N@@H+]3CCCC[C@@H]3C)cn2c1 ZINC000057224530 463468065 /nfs/dbraw/zinc/46/80/65/463468065.db2.gz ADFIRMDURLSFER-HNNXBMFYSA-N 2 2 329.448 2.316 10 0 EEAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000105862422 463480621 /nfs/dbraw/zinc/48/06/21/463480621.db2.gz FHNKOVOITRPFRD-QGZVFWFLSA-N 3 2 342.487 2.397 10 0 EEAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000105862422 463480625 /nfs/dbraw/zinc/48/06/25/463480625.db2.gz FHNKOVOITRPFRD-QGZVFWFLSA-N 3 2 342.487 2.397 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163412023 463586413 /nfs/dbraw/zinc/58/64/13/463586413.db2.gz GMIWTMMJKGGAPM-PBHICJAKSA-N 2 2 349.475 2.415 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163412023 463586419 /nfs/dbraw/zinc/58/64/19/463586419.db2.gz GMIWTMMJKGGAPM-PBHICJAKSA-N 2 2 349.475 2.415 10 0 EEAELP CC[NH+](CC)CCCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000043003846 463612946 /nfs/dbraw/zinc/61/29/46/463612946.db2.gz CZVBTQDDXJXGEN-UHFFFAOYSA-N 2 2 333.480 2.082 10 0 EEAELP COCCN(C)c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cn1 ZINC000276733795 463736276 /nfs/dbraw/zinc/73/62/76/463736276.db2.gz HSULAZCAFNBEQL-UHFFFAOYSA-N 2 2 329.448 2.267 10 0 EEAELP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261968867 463914063 /nfs/dbraw/zinc/91/40/63/463914063.db2.gz QJHLMODRRWIPJM-NCYKPQTJSA-N 2 2 343.515 2.398 10 0 EEAELP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261968867 463914065 /nfs/dbraw/zinc/91/40/65/463914065.db2.gz QJHLMODRRWIPJM-NCYKPQTJSA-N 2 2 343.515 2.398 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000262038403 463931211 /nfs/dbraw/zinc/93/12/11/463931211.db2.gz YEJUZUUZMXWXTA-MTQWCTHYSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000262038403 463931215 /nfs/dbraw/zinc/93/12/15/463931215.db2.gz YEJUZUUZMXWXTA-MTQWCTHYSA-N 2 2 329.488 2.008 10 0 EEAELP [NH3+][C@@H]1CCC[C@@H]2CN(c3[nH+]cnc4c3cnn4-c3ccccc3)C[C@H]21 ZINC000262126467 463953736 /nfs/dbraw/zinc/95/37/36/463953736.db2.gz CQEGZGGUYUUATH-KBRIMQKVSA-N 2 2 334.427 2.379 10 0 EEAELP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263057106 464056762 /nfs/dbraw/zinc/05/67/62/464056762.db2.gz UZCOYONMMOVIQG-CVEARBPZSA-N 2 2 337.414 2.155 10 0 EEAELP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263057106 464056766 /nfs/dbraw/zinc/05/67/66/464056766.db2.gz UZCOYONMMOVIQG-CVEARBPZSA-N 2 2 337.414 2.155 10 0 EEAELP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCCC1 ZINC000237947129 464408954 /nfs/dbraw/zinc/40/89/54/464408954.db2.gz UQRONUSFIDONNX-ZDUSSCGKSA-N 2 2 337.414 2.317 10 0 EEAELP [NH3+]C1(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCCC1 ZINC000237947129 464408958 /nfs/dbraw/zinc/40/89/58/464408958.db2.gz UQRONUSFIDONNX-ZDUSSCGKSA-N 2 2 337.414 2.317 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000174775926 464450586 /nfs/dbraw/zinc/45/05/86/464450586.db2.gz RLCKAGPGIAUEQS-AEFFLSMTSA-N 2 2 347.503 2.016 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000174775926 464450592 /nfs/dbraw/zinc/45/05/92/464450592.db2.gz RLCKAGPGIAUEQS-AEFFLSMTSA-N 2 2 347.503 2.016 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000174775926 464450595 /nfs/dbraw/zinc/45/05/95/464450595.db2.gz RLCKAGPGIAUEQS-AEFFLSMTSA-N 2 2 347.503 2.016 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2ccccc2OC)[C@H](C)C1 ZINC000174775926 464450602 /nfs/dbraw/zinc/45/06/02/464450602.db2.gz RLCKAGPGIAUEQS-AEFFLSMTSA-N 2 2 347.503 2.016 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000175468321 464556225 /nfs/dbraw/zinc/55/62/25/464556225.db2.gz ZGRDLSFLMWAREO-UHFFFAOYSA-N 2 2 335.496 2.412 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247259062 464662153 /nfs/dbraw/zinc/66/21/53/464662153.db2.gz VFLSWTZTKRRSFV-LPHOPBHVSA-N 2 2 347.503 2.316 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247259062 464662156 /nfs/dbraw/zinc/66/21/56/464662156.db2.gz VFLSWTZTKRRSFV-LPHOPBHVSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247259062 464662161 /nfs/dbraw/zinc/66/21/61/464662161.db2.gz VFLSWTZTKRRSFV-LPHOPBHVSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000247259062 464662167 /nfs/dbraw/zinc/66/21/67/464662167.db2.gz VFLSWTZTKRRSFV-LPHOPBHVSA-N 2 2 347.503 2.316 10 0 EEAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCO3)CCO1 ZINC000275502788 464776988 /nfs/dbraw/zinc/77/69/88/464776988.db2.gz JUDGGUMFYPDMGO-RHSMWYFYSA-N 2 2 329.400 2.201 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248639637 464777764 /nfs/dbraw/zinc/77/77/64/464777764.db2.gz BMLDOLNNMALGKZ-YYWHXJBOSA-N 2 2 337.467 2.494 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248639637 464777767 /nfs/dbraw/zinc/77/77/67/464777767.db2.gz BMLDOLNNMALGKZ-YYWHXJBOSA-N 2 2 337.467 2.494 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248639637 464777772 /nfs/dbraw/zinc/77/77/72/464777772.db2.gz BMLDOLNNMALGKZ-YYWHXJBOSA-N 2 2 337.467 2.494 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000248639637 464777775 /nfs/dbraw/zinc/77/77/75/464777775.db2.gz BMLDOLNNMALGKZ-YYWHXJBOSA-N 2 2 337.467 2.494 10 0 EEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000248640173 464778296 /nfs/dbraw/zinc/77/82/96/464778296.db2.gz NDFCYYGVOHFSTH-RTBURBONSA-N 2 2 347.503 2.215 10 0 EEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000248640173 464778303 /nfs/dbraw/zinc/77/83/03/464778303.db2.gz NDFCYYGVOHFSTH-RTBURBONSA-N 2 2 347.503 2.215 10 0 EEAELP CCC(CC)[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)[NH+]1CCOCC1 ZINC000183343553 464852735 /nfs/dbraw/zinc/85/27/35/464852735.db2.gz KXCPAEGRSVPEIM-GOSISDBHSA-N 2 2 348.491 2.014 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000177143581 464941273 /nfs/dbraw/zinc/94/12/73/464941273.db2.gz VFCXAYIPSZCBDN-INIZCTEOSA-N 2 2 336.399 2.077 10 0 EEAELP CC1(C)CC(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC(C)(C)[NH2+]1 ZINC000177338916 464990488 /nfs/dbraw/zinc/99/04/88/464990488.db2.gz RFPXXAQJWRPFRA-HNNXBMFYSA-N 2 2 333.480 2.366 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000184660472 465015304 /nfs/dbraw/zinc/01/53/04/465015304.db2.gz SVPRTYMWDNJKAP-JKSUJKDBSA-N 2 2 330.476 2.287 10 0 EEAELP CC[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)O1 ZINC000362406744 465713044 /nfs/dbraw/zinc/71/30/44/465713044.db2.gz UYDDFXYUZVGAQA-SJORKVTESA-N 2 2 337.508 2.011 10 0 EEAELP Cc1nsc(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)n1 ZINC000346158843 465945660 /nfs/dbraw/zinc/94/56/60/465945660.db2.gz APLGJKDBCAUHTG-UHFFFAOYSA-N 2 2 346.485 2.416 10 0 EEAELP NC(=O)C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000346186224 465972942 /nfs/dbraw/zinc/97/29/42/465972942.db2.gz YFVNXYHHYHFYEH-UHFFFAOYSA-N 2 2 326.425 2.421 10 0 EEAELP NC(=O)C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)Cc1ccccc1 ZINC000346186224 465972946 /nfs/dbraw/zinc/97/29/46/465972946.db2.gz YFVNXYHHYHFYEH-UHFFFAOYSA-N 2 2 326.425 2.421 10 0 EEAELP Cc1nnc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000338279363 465977861 /nfs/dbraw/zinc/97/78/61/465977861.db2.gz YPKACUFQBKGHNF-SLHHOWHOSA-N 2 2 335.521 2.150 10 0 EEAELP Cc1nnc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000338279363 465977867 /nfs/dbraw/zinc/97/78/67/465977867.db2.gz YPKACUFQBKGHNF-SLHHOWHOSA-N 2 2 335.521 2.150 10 0 EEAELP Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)on2)cn1 ZINC000346191828 465978182 /nfs/dbraw/zinc/97/81/82/465978182.db2.gz QWEWNTFFQFEEPF-HNNXBMFYSA-N 2 2 329.448 2.239 10 0 EEAELP Cn1cc(-c2cc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)on2)cn1 ZINC000346191828 465978188 /nfs/dbraw/zinc/97/81/88/465978188.db2.gz QWEWNTFFQFEEPF-HNNXBMFYSA-N 2 2 329.448 2.239 10 0 EEAELP Cn1cc(-c2cc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)on2)cn1 ZINC000346191828 465978191 /nfs/dbraw/zinc/97/81/91/465978191.db2.gz QWEWNTFFQFEEPF-HNNXBMFYSA-N 2 2 329.448 2.239 10 0 EEAELP Cn1cc(-c2cc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)on2)cn1 ZINC000346191828 465978195 /nfs/dbraw/zinc/97/81/95/465978195.db2.gz QWEWNTFFQFEEPF-HNNXBMFYSA-N 2 2 329.448 2.239 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000338294808 465992177 /nfs/dbraw/zinc/99/21/77/465992177.db2.gz ZCHWBSNRUKPSHK-UHFFFAOYSA-N 2 2 347.507 2.183 10 0 EEAELP C[C@H](C[NH+]1CCCCCC1)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000302475122 466145644 /nfs/dbraw/zinc/14/56/44/466145644.db2.gz XEASBCRHZWYYRW-HZPDHXFCSA-N 2 2 333.480 2.114 10 0 EEAELP Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363404849 466380720 /nfs/dbraw/zinc/38/07/20/466380720.db2.gz ATJWMHIJANPAJU-OAHLLOKOSA-N 2 2 337.431 2.082 10 0 EEAELP Cn1ncc2c1nc[nH+]c2NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363404849 466380728 /nfs/dbraw/zinc/38/07/28/466380728.db2.gz ATJWMHIJANPAJU-OAHLLOKOSA-N 2 2 337.431 2.082 10 0 EEAELP C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000332931839 466590023 /nfs/dbraw/zinc/59/00/23/466590023.db2.gz XKULNUZGTPDYIZ-XWDNEUNKSA-N 2 2 345.491 2.491 10 0 EEAELP C[C@H]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1n1cc[nH+]c1 ZINC000332931839 466590029 /nfs/dbraw/zinc/59/00/29/466590029.db2.gz XKULNUZGTPDYIZ-XWDNEUNKSA-N 2 2 345.491 2.491 10 0 EEAELP C[C@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1c[nH+]ccc1N ZINC000422790102 466682377 /nfs/dbraw/zinc/68/23/77/466682377.db2.gz USPQUKFGAHOVTC-ZDUSSCGKSA-N 2 2 330.407 2.321 10 0 EEAELP FC(F)(F)CN1CCC(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000422817966 466683784 /nfs/dbraw/zinc/68/37/84/466683784.db2.gz IXLZETOYKIABJT-HZPDHXFCSA-N 2 2 349.441 2.007 10 0 EEAELP [NH3+]C1(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CCCCC1 ZINC000417073143 466771144 /nfs/dbraw/zinc/77/11/44/466771144.db2.gz HWEATXMYELZOEX-UHFFFAOYSA-N 2 2 331.464 2.011 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000378104429 467198992 /nfs/dbraw/zinc/19/89/92/467198992.db2.gz VWMFRXHMOPCDRX-WMLDXEAASA-N 2 2 345.422 2.008 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000378104429 467198995 /nfs/dbraw/zinc/19/89/95/467198995.db2.gz VWMFRXHMOPCDRX-WMLDXEAASA-N 2 2 345.422 2.008 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000420363401 467378634 /nfs/dbraw/zinc/37/86/34/467378634.db2.gz IBDXLRYTNRLNAD-IBGZPJMESA-N 2 2 347.528 2.361 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NCCCSc1ccccc1 ZINC000420363401 467378636 /nfs/dbraw/zinc/37/86/36/467378636.db2.gz IBDXLRYTNRLNAD-IBGZPJMESA-N 2 2 347.528 2.361 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371712 467382148 /nfs/dbraw/zinc/38/21/48/467382148.db2.gz LVVUPFDXABOPCI-OXQOHEQNSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371712 467382150 /nfs/dbraw/zinc/38/21/50/467382150.db2.gz LVVUPFDXABOPCI-OXQOHEQNSA-N 2 2 327.472 2.430 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420374886 467382950 /nfs/dbraw/zinc/38/29/50/467382950.db2.gz OCHXYAPJWOZAGP-HXUWFJFHSA-N 2 2 329.488 2.283 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420374886 467382952 /nfs/dbraw/zinc/38/29/52/467382952.db2.gz OCHXYAPJWOZAGP-HXUWFJFHSA-N 2 2 329.488 2.283 10 0 EEAELP COc1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1OC(F)F ZINC000414272084 467396520 /nfs/dbraw/zinc/39/65/20/467396520.db2.gz RDEFILJNWASKTQ-UHFFFAOYSA-N 2 2 340.374 2.386 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420410595 467398972 /nfs/dbraw/zinc/39/89/72/467398972.db2.gz YASRGHYAPZTXTN-AEFFLSMTSA-N 2 2 336.501 2.314 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420410595 467398976 /nfs/dbraw/zinc/39/89/76/467398976.db2.gz YASRGHYAPZTXTN-AEFFLSMTSA-N 2 2 336.501 2.314 10 0 EEAELP c1nnn(Cc2ccccc2)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000430251930 467411923 /nfs/dbraw/zinc/41/19/23/467411923.db2.gz ZQFPAZZUDQTYHY-GOSISDBHSA-N 2 2 325.460 2.244 10 0 EEAELP c1nnn(Cc2ccccc2)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000430251930 467411927 /nfs/dbraw/zinc/41/19/27/467411927.db2.gz ZQFPAZZUDQTYHY-GOSISDBHSA-N 2 2 325.460 2.244 10 0 EEAELP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1OC ZINC000453269481 467473616 /nfs/dbraw/zinc/47/36/16/467473616.db2.gz RKQZLGIBTKHKLR-UONOGXRCSA-N 2 2 340.439 2.340 10 0 EEAELP COc1cc(F)c([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1OC ZINC000453269481 467473619 /nfs/dbraw/zinc/47/36/19/467473619.db2.gz RKQZLGIBTKHKLR-UONOGXRCSA-N 2 2 340.439 2.340 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000454475291 467595402 /nfs/dbraw/zinc/59/54/02/467595402.db2.gz DDKJYPRFNKBUPV-UHFFFAOYSA-N 2 2 331.420 2.165 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000449388817 467635851 /nfs/dbraw/zinc/63/58/51/467635851.db2.gz BGYXFWSXTDGVOL-INIZCTEOSA-N 2 2 335.467 2.362 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000449388817 467635853 /nfs/dbraw/zinc/63/58/53/467635853.db2.gz BGYXFWSXTDGVOL-INIZCTEOSA-N 2 2 335.467 2.362 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+][C@H]1CCC[N@H+](CCCO)C1 ZINC000449395097 467636963 /nfs/dbraw/zinc/63/69/63/467636963.db2.gz HNQPWSBZEMCWSP-KRWDZBQOSA-N 2 2 328.460 2.024 10 0 EEAELP Cn1nccc1-c1ccccc1C[NH2+][C@H]1CCC[N@@H+](CCCO)C1 ZINC000449395097 467636968 /nfs/dbraw/zinc/63/69/68/467636968.db2.gz HNQPWSBZEMCWSP-KRWDZBQOSA-N 2 2 328.460 2.024 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)ccc1OC(C)C ZINC000449395081 467637370 /nfs/dbraw/zinc/63/73/70/467637370.db2.gz PMBBEJOSVMHIAB-KRWDZBQOSA-N 2 2 336.476 2.419 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)ccc1OC(C)C ZINC000449395081 467637372 /nfs/dbraw/zinc/63/73/72/467637372.db2.gz PMBBEJOSVMHIAB-KRWDZBQOSA-N 2 2 336.476 2.419 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000528782431 467751718 /nfs/dbraw/zinc/75/17/18/467751718.db2.gz JXSWIKZKPDQIHS-OALUTQOASA-N 2 2 347.478 2.462 10 0 EEAELP CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000582237315 468510834 /nfs/dbraw/zinc/51/08/34/468510834.db2.gz WCAWLNDDYLHEOJ-QWHCGFSZSA-N 2 2 333.457 2.018 10 0 EEAELP CSc1ccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000582237315 468510837 /nfs/dbraw/zinc/51/08/37/468510837.db2.gz WCAWLNDDYLHEOJ-QWHCGFSZSA-N 2 2 333.457 2.018 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000569985791 468573877 /nfs/dbraw/zinc/57/38/77/468573877.db2.gz SLJJMHIQCVIMPP-ZFWWWQNUSA-N 2 2 330.407 2.226 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000569985791 468573881 /nfs/dbraw/zinc/57/38/81/468573881.db2.gz SLJJMHIQCVIMPP-ZFWWWQNUSA-N 2 2 330.407 2.226 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000594928214 468724705 /nfs/dbraw/zinc/72/47/05/468724705.db2.gz GMWOEOSFWDLKCC-RKTXRCNFSA-N 2 2 327.428 2.491 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)CCC(=O)N2 ZINC000560349204 468786931 /nfs/dbraw/zinc/78/69/31/468786931.db2.gz AXMCZMIXSVOBHW-RHSMWYFYSA-N 2 2 331.460 2.069 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)CCC(=O)N2 ZINC000560349204 468786936 /nfs/dbraw/zinc/78/69/36/468786936.db2.gz AXMCZMIXSVOBHW-RHSMWYFYSA-N 2 2 331.460 2.069 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc3occc3c2)C1=O ZINC000560494054 468820019 /nfs/dbraw/zinc/82/00/19/468820019.db2.gz SHAJEONTHVCEQW-MRXNPFEDSA-N 2 2 338.411 2.447 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000573084327 469056683 /nfs/dbraw/zinc/05/66/83/469056683.db2.gz RKEPNYPCVAAJTF-AWEZNQCLSA-N 2 2 340.265 2.462 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000573084327 469056687 /nfs/dbraw/zinc/05/66/87/469056687.db2.gz RKEPNYPCVAAJTF-AWEZNQCLSA-N 2 2 340.265 2.462 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000588969354 469184736 /nfs/dbraw/zinc/18/47/36/469184736.db2.gz GQJWSFLVZJMRQE-IYBDPMFKSA-N 2 2 347.507 2.387 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000588969354 469184740 /nfs/dbraw/zinc/18/47/40/469184740.db2.gz GQJWSFLVZJMRQE-IYBDPMFKSA-N 2 2 347.507 2.387 10 0 EEAELP c1c2ccccc2[nH]c1C[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000626074602 469493890 /nfs/dbraw/zinc/49/38/90/469493890.db2.gz FONJHFAGZVYAQZ-UHFFFAOYSA-N 2 2 342.487 2.008 10 0 EEAELP COc1ccc(-c2nc(C[NH2+]CC3([NH3+])CCOCC3)cs2)cc1 ZINC000629387021 469528167 /nfs/dbraw/zinc/52/81/67/469528167.db2.gz CONSSHUUYXCEHQ-UHFFFAOYSA-N 2 2 333.457 2.416 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000612993629 469602779 /nfs/dbraw/zinc/60/27/79/469602779.db2.gz CVZCBVIRZDJDRW-LSDHHAIUSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000612993629 469602783 /nfs/dbraw/zinc/60/27/83/469602783.db2.gz CVZCBVIRZDJDRW-LSDHHAIUSA-N 2 2 339.842 2.435 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1(C)C ZINC000623341862 469629808 /nfs/dbraw/zinc/62/98/08/469629808.db2.gz VFFHPVDHQRYGKD-IBGZPJMESA-N 3 2 331.504 2.481 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1(C)C ZINC000623341862 469629813 /nfs/dbraw/zinc/62/98/13/469629813.db2.gz VFFHPVDHQRYGKD-IBGZPJMESA-N 2 2 331.504 2.481 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CN2CCOCC2)CC1(C)C ZINC000623341862 469629816 /nfs/dbraw/zinc/62/98/16/469629816.db2.gz VFFHPVDHQRYGKD-IBGZPJMESA-N 2 2 331.504 2.481 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623445425 469658538 /nfs/dbraw/zinc/65/85/38/469658538.db2.gz QVEWCZSCLGOFKK-HUUCEWRRSA-N 2 2 331.460 2.263 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623445425 469658544 /nfs/dbraw/zinc/65/85/44/469658544.db2.gz QVEWCZSCLGOFKK-HUUCEWRRSA-N 2 2 331.460 2.263 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000617551179 469722447 /nfs/dbraw/zinc/72/24/47/469722447.db2.gz MUJFYHZPJJWBJC-IAGOWNOFSA-N 2 2 326.444 2.484 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000617551179 469722451 /nfs/dbraw/zinc/72/24/51/469722451.db2.gz MUJFYHZPJJWBJC-IAGOWNOFSA-N 2 2 326.444 2.484 10 0 EEAELP CN1CCOC[C@H]1C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000623712550 469741288 /nfs/dbraw/zinc/74/12/88/469741288.db2.gz GZTYTQNLLQDYFU-GOSISDBHSA-N 2 2 337.895 2.225 10 0 EEAELP CCN(CC[NH3+])C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000627001332 469785332 /nfs/dbraw/zinc/78/53/32/469785332.db2.gz DOBBDZWARNSCKI-QGZVFWFLSA-N 2 2 329.448 2.231 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCC(C(F)(F)F)CC1 ZINC000617763961 469795445 /nfs/dbraw/zinc/79/54/45/469795445.db2.gz CXCQMMNAEUMJMO-UHFFFAOYSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCC(C(F)(F)F)CC1 ZINC000617763961 469795450 /nfs/dbraw/zinc/79/54/50/469795450.db2.gz CXCQMMNAEUMJMO-UHFFFAOYSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000617765657 469796530 /nfs/dbraw/zinc/79/65/30/469796530.db2.gz LBGLTHJBEXSPOP-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC000617765657 469796536 /nfs/dbraw/zinc/79/65/36/469796536.db2.gz LBGLTHJBEXSPOP-UHFFFAOYSA-N 2 2 349.372 2.458 10 0 EEAELP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627244722 469855287 /nfs/dbraw/zinc/85/52/87/469855287.db2.gz QWGUKIPBUSBBNO-XJKSGUPXSA-N 2 2 341.459 2.442 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c(C)[nH+]1 ZINC000627908454 470024193 /nfs/dbraw/zinc/02/41/93/470024193.db2.gz YBJLLTVYKDVAMR-MRXNPFEDSA-N 2 2 344.459 2.078 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(C)[nH+]1 ZINC000627908454 470024195 /nfs/dbraw/zinc/02/41/95/470024195.db2.gz YBJLLTVYKDVAMR-MRXNPFEDSA-N 2 2 344.459 2.078 10 0 EEAELP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1OC1CC1 ZINC000628117733 470058230 /nfs/dbraw/zinc/05/82/30/470058230.db2.gz SSEXNPBXZMIARN-UHFFFAOYSA-N 2 2 334.460 2.125 10 0 EEAELP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1OC1CC1 ZINC000628117733 470058232 /nfs/dbraw/zinc/05/82/32/470058232.db2.gz SSEXNPBXZMIARN-UHFFFAOYSA-N 2 2 334.460 2.125 10 0 EEAELP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631174021 470085986 /nfs/dbraw/zinc/08/59/86/470085986.db2.gz VFEDZDXDILOQBT-UAPYVXQJSA-N 2 2 334.460 2.055 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887141 470189464 /nfs/dbraw/zinc/18/94/64/470189464.db2.gz MHWWXPSWWZNENX-PKOBYXMFSA-N 2 2 345.487 2.166 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887141 470189465 /nfs/dbraw/zinc/18/94/65/470189465.db2.gz MHWWXPSWWZNENX-PKOBYXMFSA-N 2 2 345.487 2.166 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634685997 470279842 /nfs/dbraw/zinc/27/98/42/470279842.db2.gz ZLAXYWDEJGSFCR-MOPGFXCFSA-N 2 2 331.504 2.350 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634685997 470279844 /nfs/dbraw/zinc/27/98/44/470279844.db2.gz ZLAXYWDEJGSFCR-MOPGFXCFSA-N 2 2 331.504 2.350 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)cn21 ZINC000645932459 470464244 /nfs/dbraw/zinc/46/42/44/470464244.db2.gz MQINHKSDCYOROJ-KRWDZBQOSA-N 2 2 341.459 2.063 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)cn21 ZINC000645932459 470464249 /nfs/dbraw/zinc/46/42/49/470464249.db2.gz MQINHKSDCYOROJ-KRWDZBQOSA-N 2 2 341.459 2.063 10 0 EEAELP C[N@H+](CC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1CCSC1 ZINC000633523395 470494070 /nfs/dbraw/zinc/49/40/70/470494070.db2.gz JZMFXIKZCZWVLX-OAHLLOKOSA-N 2 2 330.457 2.130 10 0 EEAELP C[N@@H+](CC(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1)[C@@H]1CCSC1 ZINC000633523395 470494074 /nfs/dbraw/zinc/49/40/74/470494074.db2.gz JZMFXIKZCZWVLX-OAHLLOKOSA-N 2 2 330.457 2.130 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(-c2c[nH]c[nH+]2)cc1)[NH+]1CCSCC1 ZINC000633524462 470495671 /nfs/dbraw/zinc/49/56/71/470495671.db2.gz ZFWINXQHGMNGKX-ZDUSSCGKSA-N 2 2 330.457 2.130 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901835 471012412 /nfs/dbraw/zinc/01/24/12/471012412.db2.gz WDPFPLDREBSEAQ-SZMVWBNQSA-N 2 2 345.487 2.164 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901835 471012416 /nfs/dbraw/zinc/01/24/16/471012416.db2.gz WDPFPLDREBSEAQ-SZMVWBNQSA-N 2 2 345.487 2.164 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000644784032 471039456 /nfs/dbraw/zinc/03/94/56/471039456.db2.gz YQYKNAWQAWJHPI-VQTJNVASSA-N 2 2 332.488 2.228 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000644784032 471039461 /nfs/dbraw/zinc/03/94/61/471039461.db2.gz YQYKNAWQAWJHPI-VQTJNVASSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000644784032 471039468 /nfs/dbraw/zinc/03/94/68/471039468.db2.gz YQYKNAWQAWJHPI-VQTJNVASSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000644784032 471039473 /nfs/dbraw/zinc/03/94/73/471039473.db2.gz YQYKNAWQAWJHPI-VQTJNVASSA-N 2 2 332.488 2.228 10 0 EEAELP COc1nsc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1Br ZINC000638358637 471056541 /nfs/dbraw/zinc/05/65/41/471056541.db2.gz HJGANXCAYFNFFH-MRVPVSSYSA-N 2 2 331.239 2.289 10 0 EEAELP C[C@H](Cc1cnccn1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000651297771 471119508 /nfs/dbraw/zinc/11/95/08/471119508.db2.gz XBLMBGCBCFVDLR-YLJYHZDGSA-N 2 2 340.471 2.024 10 0 EEAELP C[C@H](Cc1cnccn1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000651297771 471119510 /nfs/dbraw/zinc/11/95/10/471119510.db2.gz XBLMBGCBCFVDLR-YLJYHZDGSA-N 2 2 340.471 2.024 10 0 EEAELP Fc1cncc(Br)c1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000657471025 471145962 /nfs/dbraw/zinc/14/59/62/471145962.db2.gz YKTZIXUUIDCOQW-MRVPVSSYSA-N 2 2 325.185 2.353 10 0 EEAELP Fc1cncc(Br)c1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000657471025 471145969 /nfs/dbraw/zinc/14/59/69/471145969.db2.gz YKTZIXUUIDCOQW-MRVPVSSYSA-N 2 2 325.185 2.353 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2Cc2ccccc2)C[C@H](C)O1 ZINC000657799989 471235202 /nfs/dbraw/zinc/23/52/02/471235202.db2.gz ADCKQRIZLRTAPH-CUDHKJQZSA-N 2 2 331.504 2.348 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)C[C@H](C)O1 ZINC000657799989 471235205 /nfs/dbraw/zinc/23/52/05/471235205.db2.gz ADCKQRIZLRTAPH-CUDHKJQZSA-N 2 2 331.504 2.348 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1 ZINC000655106863 471266198 /nfs/dbraw/zinc/26/61/98/471266198.db2.gz NEIIOTWLVGQLKM-SFHVURJKSA-N 2 2 326.444 2.134 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000655106863 471266199 /nfs/dbraw/zinc/26/61/99/471266199.db2.gz NEIIOTWLVGQLKM-SFHVURJKSA-N 2 2 326.444 2.134 10 0 EEAELP CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000660575112 471399491 /nfs/dbraw/zinc/39/94/91/471399491.db2.gz SBVWADMOLXXLNH-GOSISDBHSA-N 2 2 336.524 2.279 10 0 EEAELP COc1cc2cc[nH+]c(N[C@H](C)CN3CC[NH+](C)CC3)c2cc1OC ZINC000663571778 471432126 /nfs/dbraw/zinc/43/21/26/471432126.db2.gz LVVRADJJEUCCKK-CQSZACIVSA-N 2 2 344.459 2.300 10 0 EEAELP COc1cc2cc[nH+]c(N[C@H](C)C[NH+]3CCN(C)CC3)c2cc1OC ZINC000663571778 471432132 /nfs/dbraw/zinc/43/21/32/471432132.db2.gz LVVRADJJEUCCKK-CQSZACIVSA-N 2 2 344.459 2.300 10 0 EEAELP c1c(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)nn2c1CCCC2 ZINC000655712157 471452674 /nfs/dbraw/zinc/45/26/74/471452674.db2.gz RBRBPNPUCXSHSB-UHFFFAOYSA-N 2 2 325.460 2.369 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1 ZINC000655891337 471522981 /nfs/dbraw/zinc/52/29/81/471522981.db2.gz HCRBJNUWAGYFAL-UHFFFAOYSA-N 2 2 347.507 2.308 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccccc1Cl ZINC000663843858 471544114 /nfs/dbraw/zinc/54/41/14/471544114.db2.gz DNDABIIHPQPIGV-UHFFFAOYSA-N 2 2 340.899 2.065 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccccc1Cl ZINC000663843858 471544121 /nfs/dbraw/zinc/54/41/21/471544121.db2.gz DNDABIIHPQPIGV-UHFFFAOYSA-N 2 2 340.899 2.065 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1cccc(F)c1 ZINC000659429505 471623383 /nfs/dbraw/zinc/62/33/83/471623383.db2.gz PFNLLYBERMISMO-HZPDHXFCSA-N 2 2 347.438 2.321 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)cn2c1 ZINC000661400326 471743974 /nfs/dbraw/zinc/74/39/74/471743974.db2.gz VUKHWVTXOKEVPA-HNNXBMFYSA-N 2 2 329.448 2.315 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)cn2c1 ZINC000661400326 471743977 /nfs/dbraw/zinc/74/39/77/471743977.db2.gz VUKHWVTXOKEVPA-HNNXBMFYSA-N 2 2 329.448 2.315 10 0 EEAELP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cscn1 ZINC000661417514 471750730 /nfs/dbraw/zinc/75/07/30/471750730.db2.gz HBYBOAORJMPOQC-XJKSGUPXSA-N 2 2 332.473 2.213 10 0 EEAELP C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664549614 471791711 /nfs/dbraw/zinc/79/17/11/471791711.db2.gz KAGLLDRKWMVRFY-LPHOPBHVSA-N 2 2 346.519 2.493 10 0 EEAELP C[C@H]1CCc2ccccc2[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664549614 471791714 /nfs/dbraw/zinc/79/17/14/471791714.db2.gz KAGLLDRKWMVRFY-LPHOPBHVSA-N 2 2 346.519 2.493 10 0 EEAELP CN(C)c1nc(N2CCO[C@@H](CCC[NH+](C)C)C2)[nH+]c2ccccc21 ZINC000664658477 471826314 /nfs/dbraw/zinc/82/63/14/471826314.db2.gz RMOGPBTYDLPREF-HNNXBMFYSA-N 2 2 343.475 2.243 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654458551 471966902 /nfs/dbraw/zinc/96/69/02/471966902.db2.gz HHGSMFOHWSZWQY-HOTGVXAUSA-N 2 2 333.480 2.355 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654458551 471966906 /nfs/dbraw/zinc/96/69/06/471966906.db2.gz HHGSMFOHWSZWQY-HOTGVXAUSA-N 2 2 333.480 2.355 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC2(COC2)C1 ZINC000662072712 471976771 /nfs/dbraw/zinc/97/67/71/471976771.db2.gz NTYGTMQZVHSVDM-ZDUSSCGKSA-N 2 2 326.400 2.126 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC2(COC2)C1 ZINC000662072712 471976774 /nfs/dbraw/zinc/97/67/74/471976774.db2.gz NTYGTMQZVHSVDM-ZDUSSCGKSA-N 2 2 326.400 2.126 10 0 EEAELP CCN(C(=O)[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662318533 472067890 /nfs/dbraw/zinc/06/78/90/472067890.db2.gz BBVCNGATSGXXHF-HKUYNNGSSA-N 2 2 347.503 2.471 10 0 EEAELP CCN(C(=O)[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662318533 472067894 /nfs/dbraw/zinc/06/78/94/472067894.db2.gz BBVCNGATSGXXHF-HKUYNNGSSA-N 2 2 347.503 2.471 10 0 EEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318893 472068678 /nfs/dbraw/zinc/06/86/78/472068678.db2.gz AJIBBNVVGKBWBA-SQNIBIBYSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318893 472068683 /nfs/dbraw/zinc/06/86/83/472068683.db2.gz AJIBBNVVGKBWBA-SQNIBIBYSA-N 2 2 339.524 2.066 10 0 EEAELP COCc1ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc1C(F)(F)F ZINC000662659869 472190852 /nfs/dbraw/zinc/19/08/52/472190852.db2.gz VYTWRFSWSZKXPP-CYBMUJFWSA-N 2 2 333.354 2.069 10 0 EEAELP CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662714153 472219355 /nfs/dbraw/zinc/21/93/55/472219355.db2.gz XTTWDKDBCBSBNY-UHFFFAOYSA-N 2 2 330.354 2.079 10 0 EEAELP O=C(c1cc(Cl)c[nH]1)N1CCC([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657463728 485564602 /nfs/dbraw/zinc/56/46/02/485564602.db2.gz PBPXDSQYVZSDHM-UHFFFAOYSA-N 2 2 347.850 2.205 10 0 EEAELP Cc1ccc([C@H](C)CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000664183005 485600292 /nfs/dbraw/zinc/60/02/92/485600292.db2.gz LEKOEOYTYATZHC-QGZVFWFLSA-N 2 2 334.508 2.281 10 0 EEAELP Cc1ccc([C@H](C)CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000664183005 485600298 /nfs/dbraw/zinc/60/02/98/485600298.db2.gz LEKOEOYTYATZHC-QGZVFWFLSA-N 2 2 334.508 2.281 10 0 EEAELP COc1ccccc1N1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000631146465 485775453 /nfs/dbraw/zinc/77/54/53/485775453.db2.gz JNNCHERGYIWRLF-GOSISDBHSA-N 2 2 347.503 2.100 10 0 EEAELP COc1ccccc1N1CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000631146465 485775459 /nfs/dbraw/zinc/77/54/59/485775459.db2.gz JNNCHERGYIWRLF-GOSISDBHSA-N 2 2 347.503 2.100 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1)c1ccccc1 ZINC000684185087 485796252 /nfs/dbraw/zinc/79/62/52/485796252.db2.gz WJQUEMJSSGZFIX-KSZLIROESA-N 2 2 333.451 2.324 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1)c1ccccc1 ZINC000684185087 485796259 /nfs/dbraw/zinc/79/62/59/485796259.db2.gz WJQUEMJSSGZFIX-KSZLIROESA-N 2 2 333.451 2.324 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000679946586 485852651 /nfs/dbraw/zinc/85/26/51/485852651.db2.gz LBUZEEIXGRSOLZ-KRWDZBQOSA-N 2 2 333.480 2.179 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000679946586 485852656 /nfs/dbraw/zinc/85/26/56/485852656.db2.gz LBUZEEIXGRSOLZ-KRWDZBQOSA-N 2 2 333.480 2.179 10 0 EEAELP Cc1ncc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000679993385 485864775 /nfs/dbraw/zinc/86/47/75/485864775.db2.gz DPQGVUGHMHTCGQ-YPMHNXCESA-N 2 2 333.461 2.027 10 0 EEAELP O=C(NCc1c[nH+]c2n1CCCC2)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000671515621 485899166 /nfs/dbraw/zinc/89/91/66/485899166.db2.gz RMTKWKICDWUWRD-UHFFFAOYSA-N 2 2 337.387 2.122 10 0 EEAELP CC[C@H](C[NH+]1CCCC1)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000675185508 485923076 /nfs/dbraw/zinc/92/30/76/485923076.db2.gz BIQFVLWXVHOCBO-GFCCVEGCSA-N 2 2 347.385 2.119 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000685568189 486147469 /nfs/dbraw/zinc/14/74/69/486147469.db2.gz JKBDUIXYOIFGLC-MRXNPFEDSA-N 2 2 328.460 2.008 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000685568189 486147474 /nfs/dbraw/zinc/14/74/74/486147474.db2.gz JKBDUIXYOIFGLC-MRXNPFEDSA-N 2 2 328.460 2.008 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000676153972 486155455 /nfs/dbraw/zinc/15/54/55/486155455.db2.gz IQTJRNCTUDIOEH-UONOGXRCSA-N 2 2 344.450 2.032 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000676153972 486155460 /nfs/dbraw/zinc/15/54/60/486155460.db2.gz IQTJRNCTUDIOEH-UONOGXRCSA-N 2 2 344.450 2.032 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCOC[C@H]2C)CC1 ZINC000676715329 486290864 /nfs/dbraw/zinc/29/08/64/486290864.db2.gz UUXSZTOPQNSIEA-MSOLQXFVSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCOC[C@H]2C)CC1 ZINC000676715329 486290870 /nfs/dbraw/zinc/29/08/70/486290870.db2.gz UUXSZTOPQNSIEA-MSOLQXFVSA-N 2 2 345.487 2.003 10 0 EEAELP Cc1sccc1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000682500570 486486947 /nfs/dbraw/zinc/48/69/47/486486947.db2.gz ULSYXQGOURRMFV-KRWDZBQOSA-N 2 2 335.517 2.226 10 0 EEAELP Cc1sccc1CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000682500570 486486953 /nfs/dbraw/zinc/48/69/53/486486953.db2.gz ULSYXQGOURRMFV-KRWDZBQOSA-N 2 2 335.517 2.226 10 0 EEAELP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1CCOC(C)(C)C1 ZINC000415938066 528355089 /nfs/dbraw/zinc/35/50/89/528355089.db2.gz ACFSQWBKZMHCTM-UHFFFAOYSA-N 2 2 334.464 2.028 10 0 EEAELP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+]1CCOC(C)(C)C1 ZINC000415938066 528355093 /nfs/dbraw/zinc/35/50/93/528355093.db2.gz ACFSQWBKZMHCTM-UHFFFAOYSA-N 2 2 334.464 2.028 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)c2ccnc(-n3cc[nH+]c3)c2)CC1 ZINC000174121370 528967225 /nfs/dbraw/zinc/96/72/25/528967225.db2.gz ZMGWDBVKRWIPHE-UHFFFAOYSA-N 2 2 327.432 2.119 10 0 EEAELP CC(C)n1c[nH+]cc1CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000425322562 535103152 /nfs/dbraw/zinc/10/31/52/535103152.db2.gz HKSDVJSRKZKZNB-HDICACEKSA-N 2 2 333.524 2.454 10 0 EEAELP CC(C)n1c[nH+]cc1CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000425322562 535103158 /nfs/dbraw/zinc/10/31/58/535103158.db2.gz HKSDVJSRKZKZNB-HDICACEKSA-N 2 2 333.524 2.454 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C\c3ccnc(Cl)c3)C2)CC1 ZINC000761736271 577688732 /nfs/dbraw/zinc/68/87/32/577688732.db2.gz BTISUALGNGGNFB-MPNWYJEXSA-N 2 2 348.878 2.033 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C\c3ccnc(Cl)c3)C2)CC1 ZINC000761736271 577688733 /nfs/dbraw/zinc/68/87/33/577688733.db2.gz BTISUALGNGGNFB-MPNWYJEXSA-N 2 2 348.878 2.033 10 0 EEAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000247038740 675580745 /nfs/dbraw/zinc/58/07/45/675580745.db2.gz HZOHWRYPGBRNRT-MAUKXSAKSA-N 2 2 341.459 2.400 10 0 EEAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000247038740 675580747 /nfs/dbraw/zinc/58/07/47/675580747.db2.gz HZOHWRYPGBRNRT-MAUKXSAKSA-N 2 2 341.459 2.400 10 0 EEAELP CN(C)c1ncc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)cn1 ZINC000895110873 683940353 /nfs/dbraw/zinc/94/03/53/683940353.db2.gz BGZVAYLLCAIYEI-WKILWMFISA-N 2 2 326.448 2.214 10 0 EEAELP C[N@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccc2cc[nH]c2c1 ZINC001690966804 1176391121 /nfs/dbraw/zinc/39/11/21/1176391121.db2.gz UYTALTJEHIIXBS-UHFFFAOYSA-N 2 2 325.416 2.003 10 0 EEAELP C[N@@H+](CCNC(=O)CCn1cc[nH+]c1)Cc1ccc2cc[nH]c2c1 ZINC001690966804 1176391130 /nfs/dbraw/zinc/39/11/30/1176391130.db2.gz UYTALTJEHIIXBS-UHFFFAOYSA-N 2 2 325.416 2.003 10 0 EEAELP CC(C)CCC[NH2+][C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001266414442 1176505538 /nfs/dbraw/zinc/50/55/38/1176505538.db2.gz BZMYEJGUHKQFDJ-FUHWJXTLSA-N 2 2 332.492 2.366 10 0 EEAELP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001266480786 1176611573 /nfs/dbraw/zinc/61/15/73/1176611573.db2.gz XTVFFJDQCOEJDC-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001266480786 1176611578 /nfs/dbraw/zinc/61/15/78/1176611578.db2.gz XTVFFJDQCOEJDC-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001266559652 1176843938 /nfs/dbraw/zinc/84/39/38/1176843938.db2.gz HXFMSZLWLREAJU-SFHVURJKSA-N 2 2 340.471 2.094 10 0 EEAELP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266730675 1177316515 /nfs/dbraw/zinc/31/65/15/1177316515.db2.gz CEDKZNDRPMKOOX-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP CN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266730675 1177316522 /nfs/dbraw/zinc/31/65/22/1177316522.db2.gz CEDKZNDRPMKOOX-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP COCCC[N@@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266752017 1177350817 /nfs/dbraw/zinc/35/08/17/1177350817.db2.gz MLGRENPGSFKWQH-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP COCCC[N@H+]1CCC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266752017 1177350823 /nfs/dbraw/zinc/35/08/23/1177350823.db2.gz MLGRENPGSFKWQH-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001266838865 1177515201 /nfs/dbraw/zinc/51/52/01/1177515201.db2.gz BVMBGKSVXGORGG-RPPGEJNMSA-N 2 2 338.455 2.285 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C/C=C\c1ccccc1 ZINC001266869593 1177643096 /nfs/dbraw/zinc/64/30/96/1177643096.db2.gz BZYYVKOJALDORQ-CXOKCQFOSA-N 2 2 326.444 2.350 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C/C=C\c1ccccc1 ZINC001266869593 1177643102 /nfs/dbraw/zinc/64/31/02/1177643102.db2.gz BZYYVKOJALDORQ-CXOKCQFOSA-N 2 2 326.444 2.350 10 0 EEAELP C[C@@H](O)CCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001266873434 1177674993 /nfs/dbraw/zinc/67/49/93/1177674993.db2.gz XTNFRPIBUJHDID-HZPDHXFCSA-N 2 2 344.459 2.080 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)CCc1c[nH+]cn1C ZINC001267019625 1178102566 /nfs/dbraw/zinc/10/25/66/1178102566.db2.gz ADYMOMWTWATRIZ-RMKNXTFCSA-N 2 2 326.444 2.114 10 0 EEAELP C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935013 1178845477 /nfs/dbraw/zinc/84/54/77/1178845477.db2.gz JOHBTEKIZLUGCM-ZDUSSCGKSA-N 2 2 341.858 2.369 10 0 EEAELP C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935013 1178845485 /nfs/dbraw/zinc/84/54/85/1178845485.db2.gz JOHBTEKIZLUGCM-ZDUSSCGKSA-N 2 2 341.858 2.369 10 0 EEAELP C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935013 1178845502 /nfs/dbraw/zinc/84/55/02/1178845502.db2.gz JOHBTEKIZLUGCM-ZDUSSCGKSA-N 2 2 341.858 2.369 10 0 EEAELP C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)Cc1cc(F)ccc1Cl ZINC001480935013 1178845510 /nfs/dbraw/zinc/84/55/10/1178845510.db2.gz JOHBTEKIZLUGCM-ZDUSSCGKSA-N 2 2 341.858 2.369 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001481250079 1180467608 /nfs/dbraw/zinc/46/76/08/1180467608.db2.gz LSDALSKATLLZIP-KRWDZBQOSA-N 2 2 326.444 2.002 10 0 EEAELP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001267924453 1180771518 /nfs/dbraw/zinc/77/15/18/1180771518.db2.gz GCDZWOGTQSSMMW-SHTZXODSSA-N 2 2 330.432 2.230 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CCc2ccnn2C)c(C)[nH+]1 ZINC001268076610 1181677761 /nfs/dbraw/zinc/67/77/61/1181677761.db2.gz ZXYFLQHGDQIUEY-HNNXBMFYSA-N 2 2 343.475 2.033 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001268163362 1181880846 /nfs/dbraw/zinc/88/08/46/1181880846.db2.gz VYEUVMQRMDQKQU-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1C[NH+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC001481635747 1181991532 /nfs/dbraw/zinc/99/15/32/1181991532.db2.gz OQIRDAMXWQBDIS-ZDUSSCGKSA-N 2 2 348.397 2.279 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001481775230 1182671487 /nfs/dbraw/zinc/67/14/87/1182671487.db2.gz LPTKAZKJRUFIFT-WMLDXEAASA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001481775230 1182671493 /nfs/dbraw/zinc/67/14/93/1182671493.db2.gz LPTKAZKJRUFIFT-WMLDXEAASA-N 2 2 345.447 2.254 10 0 EEAELP CO[C@@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481981807 1183077037 /nfs/dbraw/zinc/07/70/37/1183077037.db2.gz YUPMPPQOUSFMPQ-LSDHHAIUSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001268553065 1183244228 /nfs/dbraw/zinc/24/42/28/1183244228.db2.gz WNNUOELZEDKQFO-GXMNPTEKSA-N 2 2 344.912 2.145 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CCC1CCCC1 ZINC001482118890 1183361071 /nfs/dbraw/zinc/36/10/71/1183361071.db2.gz QYMNUPGXTSOJLY-RDJZCZTQSA-N 2 2 332.492 2.368 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268951769 1183845051 /nfs/dbraw/zinc/84/50/51/1183845051.db2.gz DPOSNFDRXYTJCF-SRMUPAJBSA-N 2 2 328.460 2.087 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001268951769 1183845054 /nfs/dbraw/zinc/84/50/54/1183845054.db2.gz DPOSNFDRXYTJCF-SRMUPAJBSA-N 2 2 328.460 2.087 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268952090 1183846438 /nfs/dbraw/zinc/84/64/38/1183846438.db2.gz QIVOAEOUJOMSBY-IREPAONFSA-N 2 2 342.487 2.477 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268952090 1183846442 /nfs/dbraw/zinc/84/64/42/1183846442.db2.gz QIVOAEOUJOMSBY-IREPAONFSA-N 2 2 342.487 2.477 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001482657595 1187494682 /nfs/dbraw/zinc/49/46/82/1187494682.db2.gz AHXAIPPDXUWHFW-IAGOWNOFSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3[nH+]ccn3C)CC[C@H]21 ZINC001482657595 1187494683 /nfs/dbraw/zinc/49/46/83/1187494683.db2.gz AHXAIPPDXUWHFW-IAGOWNOFSA-N 2 2 332.492 2.466 10 0 EEAELP CC[C@H](C[NH2+]CC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1)OC ZINC001482834274 1187754119 /nfs/dbraw/zinc/75/41/19/1187754119.db2.gz TVUWEIJNTQJYFF-CZUORRHYSA-N 2 2 332.448 2.166 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CCCC(F)(F)C1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482886099 1187802099 /nfs/dbraw/zinc/80/20/99/1187802099.db2.gz QSSINZXVWRLMEN-OLZOCXBDSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001482886861 1187803050 /nfs/dbraw/zinc/80/30/50/1187803050.db2.gz VLBXWZAAABBMPZ-ZDUSSCGKSA-N 2 2 334.851 2.333 10 0 EEAELP CCN(CC[NH2+]Cc1ncccc1C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001482964100 1187899707 /nfs/dbraw/zinc/89/97/07/1187899707.db2.gz XJBJOXWNKZFTFZ-UHFFFAOYSA-N 2 2 329.448 2.029 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1ccccc1Cl ZINC001483045033 1188242707 /nfs/dbraw/zinc/24/27/07/1188242707.db2.gz LQIFPQZEZPLIRT-ONEGZZNKSA-N 2 2 332.835 2.389 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001691625324 1188400412 /nfs/dbraw/zinc/40/04/12/1188400412.db2.gz GCMWHQOQXCQEMN-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+][C@H]1CCCc2ccccc21 ZINC001483081841 1188443542 /nfs/dbraw/zinc/44/35/42/1188443542.db2.gz GASVXZLZEUCHGN-PXPVJAHISA-N 2 2 338.455 2.302 10 0 EEAELP Cc1ccc(C[NH2+]CC2CC(NC(=O)CCc3c[nH+]cn3C)C2)cc1 ZINC001409294269 1188608926 /nfs/dbraw/zinc/60/89/26/1188608926.db2.gz SIVWEQIFMVMABL-UHFFFAOYSA-N 2 2 340.471 2.346 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001483152193 1188896887 /nfs/dbraw/zinc/89/68/87/1188896887.db2.gz MRVXASZLJXRYCP-HZPDHXFCSA-N 2 2 342.443 2.007 10 0 EEAELP CCc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001409347768 1189559037 /nfs/dbraw/zinc/55/90/37/1189559037.db2.gz FZBVWXXBKFXLNP-UONOGXRCSA-N 2 2 347.463 2.160 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@H+](C)Cc1cncc(F)c1 ZINC001409625371 1190119705 /nfs/dbraw/zinc/11/97/05/1190119705.db2.gz LOFWIURDJTVPJB-CQSZACIVSA-N 2 2 347.438 2.177 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[N@@H+](C)Cc1cncc(F)c1 ZINC001409625371 1190119707 /nfs/dbraw/zinc/11/97/07/1190119707.db2.gz LOFWIURDJTVPJB-CQSZACIVSA-N 2 2 347.438 2.177 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483348608 1190381276 /nfs/dbraw/zinc/38/12/76/1190381276.db2.gz CCOZZPFGOBPANX-APHBMKBZSA-N 2 2 330.407 2.289 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483348608 1190381281 /nfs/dbraw/zinc/38/12/81/1190381281.db2.gz CCOZZPFGOBPANX-APHBMKBZSA-N 2 2 330.407 2.289 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCOC(C)C)[C@@H]3C)ccn12 ZINC001486077952 1193681864 /nfs/dbraw/zinc/68/18/64/1193681864.db2.gz CFUCUCGLSSIMDU-DOTOQJQBSA-N 2 2 344.459 2.260 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCOC(C)C)[C@H]3C)ccn12 ZINC001486077954 1193681993 /nfs/dbraw/zinc/68/19/93/1193681993.db2.gz CFUCUCGLSSIMDU-WBVHZDCISA-N 2 2 344.459 2.260 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001483655314 1190712094 /nfs/dbraw/zinc/71/20/94/1190712094.db2.gz MVOWTTDJOQKJLQ-INIZCTEOSA-N 2 2 333.451 2.309 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001483655314 1190712095 /nfs/dbraw/zinc/71/20/95/1190712095.db2.gz MVOWTTDJOQKJLQ-INIZCTEOSA-N 2 2 333.451 2.309 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)ccc1C ZINC001483680636 1190741667 /nfs/dbraw/zinc/74/16/67/1190741667.db2.gz FQQDFDKWYZJWRY-CRAIPNDOSA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@@H](C)C2)ccc1C ZINC001483680636 1190741668 /nfs/dbraw/zinc/74/16/68/1190741668.db2.gz FQQDFDKWYZJWRY-CRAIPNDOSA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[NH+]2CC[C@@H]2CNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1C ZINC001483680636 1190741669 /nfs/dbraw/zinc/74/16/69/1190741669.db2.gz FQQDFDKWYZJWRY-CRAIPNDOSA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@@H](C)C2)ccc1C ZINC001483680636 1190741671 /nfs/dbraw/zinc/74/16/71/1190741671.db2.gz FQQDFDKWYZJWRY-CRAIPNDOSA-N 2 2 345.487 2.036 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C2C[NH+](CC3CC(C)C3)C2)c[nH+]1 ZINC001409897434 1190959824 /nfs/dbraw/zinc/95/98/24/1190959824.db2.gz GBYQCQPEYYSLMH-OGVSOVDVSA-N 2 2 332.492 2.409 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001483810270 1191055176 /nfs/dbraw/zinc/05/51/76/1191055176.db2.gz QPKPHPGKQSTZOS-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc[nH+]c1 ZINC001483810270 1191055178 /nfs/dbraw/zinc/05/51/78/1191055178.db2.gz QPKPHPGKQSTZOS-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CC1(NC(=O)Cn2cc[nH+]c2)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001483977048 1191138634 /nfs/dbraw/zinc/13/86/34/1191138634.db2.gz SENOFMAEGXAGDG-UHFFFAOYSA-N 2 2 330.476 2.434 10 0 EEAELP C[C@@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484120815 1191220930 /nfs/dbraw/zinc/22/09/30/1191220930.db2.gz XGNVVAUQLKKFPZ-IBGZPJMESA-N 2 2 326.444 2.023 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CC[C@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001484533072 1191401867 /nfs/dbraw/zinc/40/18/67/1191401867.db2.gz RZGAKQOVESPTGH-ZDUSSCGKSA-N 2 2 346.397 2.133 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]Cc2cncs2)C1)c1c[nH+]c[nH]1 ZINC001484548807 1191409101 /nfs/dbraw/zinc/40/91/01/1191409101.db2.gz ZFHJAUNCZOBYKJ-CYBMUJFWSA-N 2 2 347.488 2.172 10 0 EEAELP C[N@H+](Cc1ccccn1)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001484557966 1191414210 /nfs/dbraw/zinc/41/42/10/1191414210.db2.gz YYUUVPDQQMLQHR-UHFFFAOYSA-N 2 2 349.438 2.227 10 0 EEAELP C[N@@H+](Cc1ccccn1)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC001484557966 1191414211 /nfs/dbraw/zinc/41/42/11/1191414211.db2.gz YYUUVPDQQMLQHR-UHFFFAOYSA-N 2 2 349.438 2.227 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC[C@H]2CCOC2)CC1 ZINC001484573474 1191422592 /nfs/dbraw/zinc/42/25/92/1191422592.db2.gz BSAIZXFNJPIRBE-ULQDDVLXSA-N 2 2 348.491 2.034 10 0 EEAELP CC(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001484592118 1191432353 /nfs/dbraw/zinc/43/23/53/1191432353.db2.gz DNDJQZQSLUGDKH-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CC[N@H+]1CCOC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001484592118 1191432356 /nfs/dbraw/zinc/43/23/56/1191432356.db2.gz DNDJQZQSLUGDKH-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]C[C@@H]2CC(C)(C)CO2)CCC1 ZINC001484655223 1191458072 /nfs/dbraw/zinc/45/80/72/1191458072.db2.gz PKRGPTOPXAWCOL-ZBFHGGJFSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]C[C@@H]2CC(C)(C)CO2)CCC1 ZINC001484655223 1191458073 /nfs/dbraw/zinc/45/80/73/1191458073.db2.gz PKRGPTOPXAWCOL-ZBFHGGJFSA-N 2 2 348.491 2.032 10 0 EEAELP CCC1([NH2+]Cc2cc(C)on2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001484810912 1191532557 /nfs/dbraw/zinc/53/25/57/1191532557.db2.gz PUKQSMCZNXRORN-UHFFFAOYSA-N 2 2 345.447 2.200 10 0 EEAELP CCC1([NH2+]C[C@@H](C)OC)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001484816563 1191538032 /nfs/dbraw/zinc/53/80/32/1191538032.db2.gz MPFCJKPSYWTGGL-HZPDHXFCSA-N 2 2 336.480 2.230 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF ZINC001485042907 1191623759 /nfs/dbraw/zinc/62/37/59/1191623759.db2.gz FBAFTFVMUHLQJO-VQIMIIECSA-N 2 2 344.434 2.084 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)o1 ZINC001485145312 1191664598 /nfs/dbraw/zinc/66/45/98/1191664598.db2.gz CKHSXCNJIAQEAJ-HUUCEWRRSA-N 2 2 336.480 2.230 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001485219369 1191690207 /nfs/dbraw/zinc/69/02/07/1191690207.db2.gz XSXKAJYDIQLDNJ-QWHCGFSZSA-N 2 2 332.423 2.413 10 0 EEAELP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001485341840 1191746769 /nfs/dbraw/zinc/74/67/69/1191746769.db2.gz LQQZDIAKSYEUNN-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001485341840 1191746770 /nfs/dbraw/zinc/74/67/70/1191746770.db2.gz LQQZDIAKSYEUNN-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001485341840 1191746771 /nfs/dbraw/zinc/74/67/71/1191746771.db2.gz LQQZDIAKSYEUNN-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001485341840 1191746772 /nfs/dbraw/zinc/74/67/72/1191746772.db2.gz LQQZDIAKSYEUNN-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)co1 ZINC001486520808 1194042443 /nfs/dbraw/zinc/04/24/43/1194042443.db2.gz JYGGTVPUBLPPKS-HUUCEWRRSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)co1 ZINC001486520808 1194042448 /nfs/dbraw/zinc/04/24/48/1194042448.db2.gz JYGGTVPUBLPPKS-HUUCEWRRSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)o1 ZINC001410015549 1197228614 /nfs/dbraw/zinc/22/86/14/1197228614.db2.gz IUDSQMODMKVVKF-LSDHHAIUSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)o1 ZINC001410015549 1197228615 /nfs/dbraw/zinc/22/86/15/1197228615.db2.gz IUDSQMODMKVVKF-LSDHHAIUSA-N 2 2 348.491 2.355 10 0 EEAELP CC1(C)C[N@H+](Cc2ccccn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001410062556 1197531697 /nfs/dbraw/zinc/53/16/97/1197531697.db2.gz VYKVRPKDDGFZOC-QGZVFWFLSA-N 2 2 341.459 2.085 10 0 EEAELP CC1(C)C[N@@H+](Cc2ccccn2)C[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001410062556 1197531698 /nfs/dbraw/zinc/53/16/98/1197531698.db2.gz VYKVRPKDDGFZOC-QGZVFWFLSA-N 2 2 341.459 2.085 10 0 EEAELP C[C@H](CC(=O)N(C)[C@H](C[NH2+]Cc1cncs1)C1CC1)n1cc[nH+]c1 ZINC001410308412 1197670986 /nfs/dbraw/zinc/67/09/86/1197670986.db2.gz JAOSEIGPKWUOAY-CZUORRHYSA-N 2 2 347.488 2.318 10 0 EEAELP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001410295964 1197676295 /nfs/dbraw/zinc/67/62/95/1197676295.db2.gz PQUAVZGFODBHDH-QZTJIDSGSA-N 2 2 344.503 2.462 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001273275402 1197944139 /nfs/dbraw/zinc/94/41/39/1197944139.db2.gz CDJQDNXXUBTBLI-QGZUEGPWSA-N 2 2 342.443 2.350 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)C1CC1 ZINC000336882056 1198245627 /nfs/dbraw/zinc/24/56/27/1198245627.db2.gz VSXYMVCEPATBFA-CYBMUJFWSA-N 2 2 346.397 2.063 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1)C1CC1 ZINC000336882056 1198245634 /nfs/dbraw/zinc/24/56/34/1198245634.db2.gz VSXYMVCEPATBFA-CYBMUJFWSA-N 2 2 346.397 2.063 10 0 EEAELP C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000874086169 1198787333 /nfs/dbraw/zinc/78/73/33/1198787333.db2.gz HXHOYZLKGNMJDT-IAGOWNOFSA-N 2 2 326.444 2.146 10 0 EEAELP C[NH+](C)CCN(CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000874086169 1198787336 /nfs/dbraw/zinc/78/73/36/1198787336.db2.gz HXHOYZLKGNMJDT-IAGOWNOFSA-N 2 2 326.444 2.146 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810451065 1199527485 /nfs/dbraw/zinc/52/74/85/1199527485.db2.gz ZSOHNJWKDSCVKT-KRWDZBQOSA-N 2 2 349.441 2.387 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810451065 1199527491 /nfs/dbraw/zinc/52/74/91/1199527491.db2.gz ZSOHNJWKDSCVKT-KRWDZBQOSA-N 2 2 349.441 2.387 10 0 EEAELP C[NH+](CC(F)F)C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810451065 1199527496 /nfs/dbraw/zinc/52/74/96/1199527496.db2.gz ZSOHNJWKDSCVKT-KRWDZBQOSA-N 2 2 349.441 2.387 10 0 EEAELP C[NH+](CC(F)F)C1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810451065 1199527501 /nfs/dbraw/zinc/52/75/01/1199527501.db2.gz ZSOHNJWKDSCVKT-KRWDZBQOSA-N 2 2 349.441 2.387 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000870911600 1200948860 /nfs/dbraw/zinc/94/88/60/1200948860.db2.gz YQFMZXYPCGZRQD-HDPXYFPESA-N 2 2 349.425 2.358 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000870911600 1200948870 /nfs/dbraw/zinc/94/88/70/1200948870.db2.gz YQFMZXYPCGZRQD-HDPXYFPESA-N 2 2 349.425 2.358 10 0 EEAELP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413015 1201511172 /nfs/dbraw/zinc/51/11/72/1201511172.db2.gz DXFOYJLPVKRACD-ILXRZTDVSA-N 2 2 343.512 2.113 10 0 EEAELP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413015 1201511176 /nfs/dbraw/zinc/51/11/76/1201511176.db2.gz DXFOYJLPVKRACD-ILXRZTDVSA-N 2 2 343.512 2.113 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001274083050 1204362192 /nfs/dbraw/zinc/36/21/92/1204362192.db2.gz XQRDFGLISHFHJQ-KROLTMCQSA-N 2 2 342.418 2.431 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C/C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001274083050 1204362195 /nfs/dbraw/zinc/36/21/95/1204362195.db2.gz XQRDFGLISHFHJQ-KROLTMCQSA-N 2 2 342.418 2.431 10 0 EEAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@]2([NH+](C)C)CCSC2)n(C)n1 ZINC000925214539 1206083977 /nfs/dbraw/zinc/08/39/77/1206083977.db2.gz KMQKFFALFXAFFH-RYQLBKOJSA-N 2 2 336.549 2.467 10 0 EEAELP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000925543552 1206125747 /nfs/dbraw/zinc/12/57/47/1206125747.db2.gz VSWDHUDOMFYEGZ-HXUWFJFHSA-N 3 2 343.515 2.408 10 0 EEAELP Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000925652632 1206140333 /nfs/dbraw/zinc/14/03/33/1206140333.db2.gz GYSXWHZPMXQNLW-HNNXBMFYSA-N 2 2 330.432 2.486 10 0 EEAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925726599 1206146936 /nfs/dbraw/zinc/14/69/36/1206146936.db2.gz UMLZEIFQRQLONP-TZMCWYRMSA-N 2 2 341.297 2.441 10 0 EEAELP CC(C)Oc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c(F)c1 ZINC000925995371 1206179579 /nfs/dbraw/zinc/17/95/79/1206179579.db2.gz XVJQOHIELUJXDL-UHFFFAOYSA-N 2 2 338.427 2.158 10 0 EEAELP C[NH+](C)[C@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000093290709 1214847542 /nfs/dbraw/zinc/84/75/42/1214847542.db2.gz UQOBYMGTFKYGRH-IRXDYDNUSA-N 2 2 345.491 2.354 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000796574541 1221420613 /nfs/dbraw/zinc/42/06/13/1221420613.db2.gz FPYASHXFWUXPKH-KRWDZBQOSA-N 2 2 331.391 2.085 10 0 EEAELP Cc1cccc(NC(=O)C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)c1 ZINC001413085684 1234002013 /nfs/dbraw/zinc/00/20/13/1234002013.db2.gz GOBVOUWQBLTNOB-UHFFFAOYSA-N 2 2 345.487 2.246 10 0 EEAELP C/C(=C/C(=O)NCCC[N@@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000900106755 1234018832 /nfs/dbraw/zinc/01/88/32/1234018832.db2.gz UTMBGAXDHJJTLF-ICFOKQHNSA-N 2 2 337.508 2.036 10 0 EEAELP C/C(=C/C(=O)NCCC[N@H+](C)C1CCCCC1)C[NH+]1CCOCC1 ZINC000900106755 1234018836 /nfs/dbraw/zinc/01/88/36/1234018836.db2.gz UTMBGAXDHJJTLF-ICFOKQHNSA-N 2 2 337.508 2.036 10 0 EEAELP C/C(=C\C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)C[NH+]1CCOCC1 ZINC000900428260 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FBRJSFYEFMLMOW-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP COCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001661976625 1354731680 /nfs/dbraw/zinc/73/16/80/1354731680.db2.gz FBRJSFYEFMLMOW-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP COCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001661976625 1354731682 /nfs/dbraw/zinc/73/16/82/1354731682.db2.gz FBRJSFYEFMLMOW-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP COCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001661976625 1354731685 /nfs/dbraw/zinc/73/16/85/1354731685.db2.gz FBRJSFYEFMLMOW-ZWKOTPCHSA-N 2 2 348.491 2.224 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@H]2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC001664085297 1355088754 /nfs/dbraw/zinc/08/87/54/1355088754.db2.gz CFEHHKLMCSWDGJ-RDJZCZTQSA-N 2 2 333.476 2.484 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@@H]2CCO[C@H](C)C2)c(C)[nH+]1 ZINC001664085296 1355088927 /nfs/dbraw/zinc/08/89/27/1355088927.db2.gz CFEHHKLMCSWDGJ-NVXWUHKLSA-N 2 2 333.476 2.484 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@@H]2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC001664085295 1355089148 /nfs/dbraw/zinc/08/91/48/1355089148.db2.gz CFEHHKLMCSWDGJ-DOTOQJQBSA-N 2 2 333.476 2.484 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@H]2CCO[C@H](C)C2)c(C)[nH+]1 ZINC001664085298 1355089270 /nfs/dbraw/zinc/08/92/70/1355089270.db2.gz CFEHHKLMCSWDGJ-WBVHZDCISA-N 2 2 333.476 2.484 10 0 EEAELP CN(CC[NH2+]Cc1cc(Cl)ccc1Cl)C(=O)Cn1cc[nH+]c1 ZINC001664408104 1355156973 /nfs/dbraw/zinc/15/69/73/1355156973.db2.gz JVNWHACVMIQVPU-UHFFFAOYSA-N 2 2 341.242 2.438 10 0 EEAELP C[C@@H](F)CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001667302015 1355703664 /nfs/dbraw/zinc/70/36/64/1355703664.db2.gz OCFLZJHPUQMKCK-CVEARBPZSA-N 2 2 338.471 2.462 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001667693436 1355788765 /nfs/dbraw/zinc/78/87/65/1355788765.db2.gz HWAOQQHVUPSRBI-WBVHZDCISA-N 2 2 336.455 2.323 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCCCCF)C1 ZINC001667693436 1355788768 /nfs/dbraw/zinc/78/87/68/1355788768.db2.gz HWAOQQHVUPSRBI-WBVHZDCISA-N 2 2 336.455 2.323 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(OC)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001668455660 1355945262 /nfs/dbraw/zinc/94/52/62/1355945262.db2.gz NWCZJDSLJXOIEG-IAGOWNOFSA-N 2 2 342.443 2.160 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(OC)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001668455660 1355945267 /nfs/dbraw/zinc/94/52/67/1355945267.db2.gz NWCZJDSLJXOIEG-IAGOWNOFSA-N 2 2 342.443 2.160 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001668864938 1356027644 /nfs/dbraw/zinc/02/76/44/1356027644.db2.gz MPKYXPLQLKCOPP-PYTPGESOSA-N 2 2 346.475 2.152 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)no1 ZINC001668864938 1356027647 /nfs/dbraw/zinc/02/76/47/1356027647.db2.gz MPKYXPLQLKCOPP-PYTPGESOSA-N 2 2 346.475 2.152 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccsc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001669331306 1356146815 /nfs/dbraw/zinc/14/68/15/1356146815.db2.gz LWJSKRJCZWXTDW-GDBMZVCRSA-N 2 2 346.500 2.234 10 0 EEAELP CC(C)C[C@H](C(=O)N1CCO[C@H](C[NH2+]CCC2CC2)C1)n1cc[nH+]c1 ZINC001673283879 1356661124 /nfs/dbraw/zinc/66/11/24/1356661124.db2.gz DHAIWHCFNOKMPC-QZTJIDSGSA-N 2 2 348.491 2.087 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001674463281 1356839134 /nfs/dbraw/zinc/83/91/34/1356839134.db2.gz JHOLQFGAIGLNLS-SJORKVTESA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001674463281 1356839136 /nfs/dbraw/zinc/83/91/36/1356839136.db2.gz JHOLQFGAIGLNLS-SJORKVTESA-N 2 2 330.476 2.335 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CCOCC1CCC1 ZINC001675273889 1356956999 /nfs/dbraw/zinc/95/69/99/1356956999.db2.gz CMJUGOVSCZOUAN-SFHVURJKSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CCOCC1CCC1 ZINC001675273889 1356957003 /nfs/dbraw/zinc/95/70/03/1356957003.db2.gz CMJUGOVSCZOUAN-SFHVURJKSA-N 2 2 348.491 2.061 10 0 EEAELP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1F ZINC000886672375 1369643230 /nfs/dbraw/zinc/64/32/30/1369643230.db2.gz NIAOHGJULKAPPR-KRWDZBQOSA-N 2 2 329.419 2.383 10 0 EEAELP CCc1nocc1C[NH2+]CC[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001699122100 1405278698 /nfs/dbraw/zinc/27/86/98/1405278698.db2.gz YBHRDUNEEILNFF-ZDUSSCGKSA-N 2 2 341.415 2.183 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]CCc1ccc(C)cc1 ZINC001699549241 1405384019 /nfs/dbraw/zinc/38/40/19/1405384019.db2.gz ZCQVNAFSKMHPOH-UHFFFAOYSA-N 2 2 328.460 2.250 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817892446 785048647 /nfs/dbraw/zinc/04/86/47/785048647.db2.gz ACHBVWYPWUVMIV-NVXWUHKLSA-N 2 2 331.460 2.060 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000820808391 786462867 /nfs/dbraw/zinc/46/28/67/786462867.db2.gz DVOYHVKOKXEDKH-MAUKXSAKSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000820808391 786462870 /nfs/dbraw/zinc/46/28/70/786462870.db2.gz DVOYHVKOKXEDKH-MAUKXSAKSA-N 2 2 329.448 2.029 10 0 EEAELP CC[N@@H+]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000910266096 786592358 /nfs/dbraw/zinc/59/23/58/786592358.db2.gz KWLPGJJTCZJISP-MRXNPFEDSA-N 2 2 326.444 2.358 10 0 EEAELP CC[N@H+]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)[C@H](C)C1 ZINC000910266096 786592370 /nfs/dbraw/zinc/59/23/70/786592370.db2.gz KWLPGJJTCZJISP-MRXNPFEDSA-N 2 2 326.444 2.358 10 0 EEAELP Cn1nnc2c1C[C@H]([NH2+][C@H]1C[N@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC000922991455 788509045 /nfs/dbraw/zinc/50/90/45/788509045.db2.gz IGDODKYCRWLICZ-IAGOWNOFSA-N 2 2 339.487 2.315 10 0 EEAELP Cn1nnc2c1C[C@H]([NH2+][C@H]1C[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC000922991455 788509051 /nfs/dbraw/zinc/50/90/51/788509051.db2.gz IGDODKYCRWLICZ-IAGOWNOFSA-N 2 2 339.487 2.315 10 0 EEAELP C[N@@H+](Cc1ccc(Br)nc1N)C[C@H]1CCC[NH+](C)C1 ZINC000929701632 793664921 /nfs/dbraw/zinc/66/49/21/793664921.db2.gz LFZRFRFEZBIZCI-NSHDSACASA-N 2 2 327.270 2.200 10 0 EEAELP C[N@H+](Cc1ccc(Br)nc1N)C[C@H]1CCC[NH+](C)C1 ZINC000929701632 793664925 /nfs/dbraw/zinc/66/49/25/793664925.db2.gz LFZRFRFEZBIZCI-NSHDSACASA-N 2 2 327.270 2.200 10 0 EEAELP C[NH+](Cc1ccc(Br)nc1N)C[C@H]1CCC[N@H+](C)C1 ZINC000929701632 793664928 /nfs/dbraw/zinc/66/49/28/793664928.db2.gz LFZRFRFEZBIZCI-NSHDSACASA-N 2 2 327.270 2.200 10 0 EEAELP C[NH+](Cc1ccc(Br)nc1N)C[C@H]1CCC[N@@H+](C)C1 ZINC000929701632 793664934 /nfs/dbraw/zinc/66/49/34/793664934.db2.gz LFZRFRFEZBIZCI-NSHDSACASA-N 2 2 327.270 2.200 10 0 EEAELP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)Oc1ccc(-n2cc[nH+]c2)cc1 ZINC000828387631 800705235 /nfs/dbraw/zinc/70/52/35/800705235.db2.gz AIVIFAHZPGUYQX-KRWDZBQOSA-N 2 2 347.440 2.067 10 0 EEAELP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccnc1 ZINC000922631283 801548479 /nfs/dbraw/zinc/54/84/79/801548479.db2.gz UTZSLLNRKJIPDH-ZWKOTPCHSA-N 2 2 333.476 2.392 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001566053215 1125527944 /nfs/dbraw/zinc/52/79/44/1125527944.db2.gz VGCZSZRVNSJHSC-SJORKVTESA-N 2 2 332.492 2.323 10 0 EEAELP CCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]cn3C)C[C@@H]2C1 ZINC001566053215 1125527952 /nfs/dbraw/zinc/52/79/52/1125527952.db2.gz VGCZSZRVNSJHSC-SJORKVTESA-N 2 2 332.492 2.323 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)cc1C ZINC001566508539 1125678002 /nfs/dbraw/zinc/67/80/02/1125678002.db2.gz IHYWPJNPSWDIJT-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)cc1C ZINC001566508539 1125678011 /nfs/dbraw/zinc/67/80/11/1125678011.db2.gz IHYWPJNPSWDIJT-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCOc1ccccc1 ZINC001436482227 1087968721 /nfs/dbraw/zinc/96/87/21/1087968721.db2.gz UDNWBCXQLMOBHQ-QAPCUYQASA-N 2 2 342.443 2.000 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCOc1ccccc1 ZINC001436482227 1087968733 /nfs/dbraw/zinc/96/87/33/1087968733.db2.gz UDNWBCXQLMOBHQ-QAPCUYQASA-N 2 2 342.443 2.000 10 0 EEAELP C[N@H+](CCC1CC1)C[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001436835672 1088459986 /nfs/dbraw/zinc/45/99/86/1088459986.db2.gz DIQSFGZJQYJASX-ROUUACIJSA-N 2 2 344.503 2.416 10 0 EEAELP C[N@@H+](CCC1CC1)C[C@@H]1CCCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001436835672 1088459994 /nfs/dbraw/zinc/45/99/94/1088459994.db2.gz DIQSFGZJQYJASX-ROUUACIJSA-N 2 2 344.503 2.416 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001436967399 1088659008 /nfs/dbraw/zinc/65/90/08/1088659008.db2.gz PGOPLJDLDJNQSD-PMOUVXMZSA-N 2 2 331.420 2.129 10 0 EEAELP CO[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001437038943 1088896772 /nfs/dbraw/zinc/89/67/72/1088896772.db2.gz TYPMEHBHYCVLMV-MSOLQXFVSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001437038943 1088896789 /nfs/dbraw/zinc/89/67/89/1088896789.db2.gz TYPMEHBHYCVLMV-MSOLQXFVSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC001437038943 1088896810 /nfs/dbraw/zinc/89/68/10/1088896810.db2.gz TYPMEHBHYCVLMV-MSOLQXFVSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC001437038943 1088896829 /nfs/dbraw/zinc/89/68/29/1088896829.db2.gz TYPMEHBHYCVLMV-MSOLQXFVSA-N 2 2 348.491 2.128 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccn(C)n1)[NH+](CC)CC ZINC001437042878 1088912901 /nfs/dbraw/zinc/91/29/01/1088912901.db2.gz SLUIHSRVQLKJFQ-ZWKOTPCHSA-N 2 2 349.523 2.011 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccn(C)n1)[NH+](CC)CC ZINC001437042878 1088912913 /nfs/dbraw/zinc/91/29/13/1088912913.db2.gz SLUIHSRVQLKJFQ-ZWKOTPCHSA-N 2 2 349.523 2.011 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC001437132931 1089120842 /nfs/dbraw/zinc/12/08/42/1089120842.db2.gz RLUUWQFONLDQCT-STQMWFEESA-N 2 2 347.463 2.296 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)o1 ZINC001437170129 1089192917 /nfs/dbraw/zinc/19/29/17/1089192917.db2.gz POVMINKAJRFJLZ-ZDUSSCGKSA-N 2 2 336.480 2.230 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)o1 ZINC001437170129 1089192930 /nfs/dbraw/zinc/19/29/30/1089192930.db2.gz POVMINKAJRFJLZ-ZDUSSCGKSA-N 2 2 336.480 2.230 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001437676013 1090207248 /nfs/dbraw/zinc/20/72/48/1090207248.db2.gz HIXVTOQMUWVKJT-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001437676013 1090207252 /nfs/dbraw/zinc/20/72/52/1090207252.db2.gz HIXVTOQMUWVKJT-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001437676013 1090207257 /nfs/dbraw/zinc/20/72/57/1090207257.db2.gz HIXVTOQMUWVKJT-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001437676013 1090207260 /nfs/dbraw/zinc/20/72/60/1090207260.db2.gz HIXVTOQMUWVKJT-JKSUJKDBSA-N 2 2 348.491 2.220 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001437731027 1090287402 /nfs/dbraw/zinc/28/74/02/1090287402.db2.gz QPGGJZVAWBPQAU-XJKSGUPXSA-N 2 2 345.447 2.077 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001437731027 1090287406 /nfs/dbraw/zinc/28/74/06/1090287406.db2.gz QPGGJZVAWBPQAU-XJKSGUPXSA-N 2 2 345.447 2.077 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC001437743832 1090307605 /nfs/dbraw/zinc/30/76/05/1090307605.db2.gz XSRUDKJTFVDPEH-QGZVFWFLSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC001437743832 1090307609 /nfs/dbraw/zinc/30/76/09/1090307609.db2.gz XSRUDKJTFVDPEH-QGZVFWFLSA-N 2 2 348.491 2.061 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](CCNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001437821190 1090413413 /nfs/dbraw/zinc/41/34/13/1090413413.db2.gz IQJNNLYCBRKVOP-OAHLLOKOSA-N 2 2 342.443 2.234 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](CCNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001437821190 1090413415 /nfs/dbraw/zinc/41/34/15/1090413415.db2.gz IQJNNLYCBRKVOP-OAHLLOKOSA-N 2 2 342.443 2.234 10 0 EEAELP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001437866358 1090445739 /nfs/dbraw/zinc/44/57/39/1090445739.db2.gz LQVRPAIEGUJBDR-SJORKVTESA-N 2 2 326.444 2.303 10 0 EEAELP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2coc(C)n2)C1 ZINC001438268821 1090751200 /nfs/dbraw/zinc/75/12/00/1090751200.db2.gz LGPDFDOOZKZSSD-GOSISDBHSA-N 2 2 348.491 2.138 10 0 EEAELP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC001438268821 1090751204 /nfs/dbraw/zinc/75/12/04/1090751204.db2.gz LGPDFDOOZKZSSD-GOSISDBHSA-N 2 2 348.491 2.138 10 0 EEAELP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC001438269572 1090753101 /nfs/dbraw/zinc/75/31/01/1090753101.db2.gz VPDJQGVDEXGVRM-KRWDZBQOSA-N 2 2 348.491 2.317 10 0 EEAELP 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1091284934 /nfs/dbraw/zinc/28/49/34/1091284934.db2.gz XNGHBNVTOBXBHZ-CXAGYDPISA-N 2 2 346.500 2.349 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001438835151 1091459713 /nfs/dbraw/zinc/45/97/13/1091459713.db2.gz OUPDSXLVRVZAJQ-DZGCQCFKSA-N 2 2 333.436 2.061 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445813727 1091690884 /nfs/dbraw/zinc/69/08/84/1091690884.db2.gz KKYVXKGJJDQBRF-QWHCGFSZSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445813727 1091690886 /nfs/dbraw/zinc/69/08/86/1091690886.db2.gz KKYVXKGJJDQBRF-QWHCGFSZSA-N 2 2 335.477 2.236 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445816349 1091694860 /nfs/dbraw/zinc/69/48/60/1091694860.db2.gz KIPWVCVZWDNKII-HOTGVXAUSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445816349 1091694861 /nfs/dbraw/zinc/69/48/61/1091694861.db2.gz 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C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001439342546 1092046808 /nfs/dbraw/zinc/04/68/08/1092046808.db2.gz YNSQIVBDZYIRJB-DOTOQJQBSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001439342546 1092046814 /nfs/dbraw/zinc/04/68/14/1092046814.db2.gz YNSQIVBDZYIRJB-DOTOQJQBSA-N 2 2 344.503 2.462 10 0 EEAELP Cc1ccc(CCC[N@@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001439404166 1092163564 /nfs/dbraw/zinc/16/35/64/1092163564.db2.gz HQXWKIVDWVYOSS-QGZVFWFLSA-N 2 2 328.460 2.261 10 0 EEAELP Cc1ccc(CCC[N@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)cc1 ZINC001439404166 1092163576 /nfs/dbraw/zinc/16/35/76/1092163576.db2.gz HQXWKIVDWVYOSS-QGZVFWFLSA-N 2 2 328.460 2.261 10 0 EEAELP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC(F)(F)F)[NH+]1CCCC1 ZINC001446131043 1092178889 /nfs/dbraw/zinc/17/88/89/1092178889.db2.gz UCJAQMVNKZRJDF-ZIAGYGMSSA-N 2 2 335.414 2.250 10 0 EEAELP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1CCC(F)(F)F)[NH+]1CCCC1 ZINC001446131043 1092178895 /nfs/dbraw/zinc/17/88/95/1092178895.db2.gz UCJAQMVNKZRJDF-ZIAGYGMSSA-N 2 2 335.414 2.250 10 0 EEAELP CCc1onc(C)c1C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001446248348 1092370269 /nfs/dbraw/zinc/37/02/69/1092370269.db2.gz DEJGSPZMNDQJPB-CYBMUJFWSA-N 2 2 345.447 2.132 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439546273 1092415870 /nfs/dbraw/zinc/41/58/70/1092415870.db2.gz KFWNGXCRVVYCAR-KSSFIOAISA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439546273 1092415876 /nfs/dbraw/zinc/41/58/76/1092415876.db2.gz KFWNGXCRVVYCAR-KSSFIOAISA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001439546273 1092415882 /nfs/dbraw/zinc/41/58/82/1092415882.db2.gz KFWNGXCRVVYCAR-KSSFIOAISA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001439546273 1092415891 /nfs/dbraw/zinc/41/58/91/1092415891.db2.gz KFWNGXCRVVYCAR-KSSFIOAISA-N 2 2 333.451 2.166 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)C1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001439751453 1092707581 /nfs/dbraw/zinc/70/75/81/1092707581.db2.gz MQHODVODABCPBI-SFHVURJKSA-N 2 2 333.451 2.297 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001439751453 1092707584 /nfs/dbraw/zinc/70/75/84/1092707584.db2.gz MQHODVODABCPBI-SFHVURJKSA-N 2 2 333.451 2.297 10 0 EEAELP Cc1nc(C[NH+]2CC[C@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001439859733 1092889722 /nfs/dbraw/zinc/88/97/22/1092889722.db2.gz PNCZMGHLCDFVJM-LPHOPBHVSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[NH+]2CC[C@](C)(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c(C)o1 ZINC001439859733 1092889725 /nfs/dbraw/zinc/88/97/25/1092889725.db2.gz PNCZMGHLCDFVJM-LPHOPBHVSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@](C)(NC(=O)CC[C@@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439859733 1092889728 /nfs/dbraw/zinc/88/97/28/1092889728.db2.gz PNCZMGHLCDFVJM-LPHOPBHVSA-N 2 2 348.491 2.246 10 0 EEAELP 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ZINC001506522097 1114671075 /nfs/dbraw/zinc/67/10/75/1114671075.db2.gz KHALPONJYUJCHQ-UHFFFAOYSA-N 2 2 347.488 2.326 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)C2)o1 ZINC001506748147 1114862063 /nfs/dbraw/zinc/86/20/63/1114862063.db2.gz JEVXWRZYBAFHIN-GJZGRUSLSA-N 2 2 348.491 2.212 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)C2)o1 ZINC001506748147 1114862065 /nfs/dbraw/zinc/86/20/65/1114862065.db2.gz JEVXWRZYBAFHIN-GJZGRUSLSA-N 2 2 348.491 2.212 10 0 EEAELP Cc1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)CCn3cc[nH+]c3)C2)s1 ZINC001506893718 1114955316 /nfs/dbraw/zinc/95/53/16/1114955316.db2.gz RSLNFCAVAVINJS-SHTZXODSSA-N 2 2 347.488 2.031 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567892278 1124161072 /nfs/dbraw/zinc/16/10/72/1124161072.db2.gz CMBPRXWIVCYCAG-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001567892278 1124161073 /nfs/dbraw/zinc/16/10/73/1124161073.db2.gz CMBPRXWIVCYCAG-XPQDNOAISA-N 2 2 330.476 2.382 10 0 EEAELP COCC[NH2+]CC[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001568060013 1124265192 /nfs/dbraw/zinc/26/51/92/1124265192.db2.gz DACVCSOOCTYXOL-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568141591 1124324928 /nfs/dbraw/zinc/32/49/28/1124324928.db2.gz YUJLMCIDWLDPLW-HZPDHXFCSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568198359 1124350448 /nfs/dbraw/zinc/35/04/48/1124350448.db2.gz NDMMXACSECSJBZ-STQMWFEESA-N 2 2 349.866 2.179 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568198359 1124350453 /nfs/dbraw/zinc/35/04/53/1124350453.db2.gz NDMMXACSECSJBZ-STQMWFEESA-N 2 2 349.866 2.179 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CCCc1ccsc1 ZINC001568314547 1124416778 /nfs/dbraw/zinc/41/67/78/1124416778.db2.gz ORBGPGTXPGJLPE-ZDUSSCGKSA-N 2 2 334.489 2.391 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCOC1 ZINC001568385299 1124455035 /nfs/dbraw/zinc/45/50/35/1124455035.db2.gz CUCBKLCVAFRLNL-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CC[C@@H]1CCOC1 ZINC001568385299 1124455045 /nfs/dbraw/zinc/45/50/45/1124455045.db2.gz CUCBKLCVAFRLNL-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC001568874618 1124901001 /nfs/dbraw/zinc/90/10/01/1124901001.db2.gz BWVXMQHUUGRPOR-OZZQIWQLSA-N 2 2 338.455 2.469 10 0 EEAELP C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174353396 231186392 /nfs/dbraw/zinc/18/63/92/231186392.db2.gz CLUHQQLUVZGXFQ-WMLDXEAASA-N 2 2 327.432 2.327 10 0 EEAELP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C)c1cccc(-n2cc[nH+]c2)c1 ZINC000174353396 231186394 /nfs/dbraw/zinc/18/63/94/231186394.db2.gz CLUHQQLUVZGXFQ-WMLDXEAASA-N 2 2 327.432 2.327 10 0 EEAELP Cc1c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccn1C ZINC000195284002 539654830 /nfs/dbraw/zinc/65/48/30/539654830.db2.gz ZGALCLIQGYTFQY-UHFFFAOYSA-N 2 2 332.492 2.014 10 0 EEAELP C[C@H]1C[C@H](C)N(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000466150224 291117367 /nfs/dbraw/zinc/11/73/67/291117367.db2.gz WHWNPAGWMOGRLJ-IRXDYDNUSA-N 2 2 336.524 2.377 10 0 EEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422700634 240182912 /nfs/dbraw/zinc/18/29/12/240182912.db2.gz AMNZMMKEPCQDSR-LPHOPBHVSA-N 2 2 348.487 2.239 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCN2CCCC2=O)[C@H]2CCC[NH2+]2)cc1 ZINC000422773866 240218051 /nfs/dbraw/zinc/21/80/51/240218051.db2.gz UZUVIMXUWUBECO-IEBWSBKVSA-N 2 2 331.460 2.090 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426161015 241228119 /nfs/dbraw/zinc/22/81/19/241228119.db2.gz LJSJJIBQEFBEKD-WBVHZDCISA-N 2 2 336.476 2.422 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000426161015 241228127 /nfs/dbraw/zinc/22/81/27/241228127.db2.gz LJSJJIBQEFBEKD-WBVHZDCISA-N 2 2 336.476 2.422 10 0 EEAELP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000236723405 242335339 /nfs/dbraw/zinc/33/53/39/242335339.db2.gz MLKAAGVFYMAHEO-DYVFJYSZSA-N 2 2 339.430 2.419 10 0 EEAELP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000236723405 242335342 /nfs/dbraw/zinc/33/53/42/242335342.db2.gz MLKAAGVFYMAHEO-DYVFJYSZSA-N 2 2 339.430 2.419 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nnc3n2CCC3)CC1 ZINC000449070428 242487556 /nfs/dbraw/zinc/48/75/56/242487556.db2.gz CNKFBWDZICIWOH-INIZCTEOSA-N 2 2 339.487 2.410 10 0 EEAELP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000344078361 284215956 /nfs/dbraw/zinc/21/59/56/284215956.db2.gz QBAQKIPYBXMOCT-NEWSRXKRSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000344078361 284215959 /nfs/dbraw/zinc/21/59/59/284215959.db2.gz QBAQKIPYBXMOCT-NEWSRXKRSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000344078361 284215961 /nfs/dbraw/zinc/21/59/61/284215961.db2.gz QBAQKIPYBXMOCT-NEWSRXKRSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000344078361 284215963 /nfs/dbraw/zinc/21/59/63/284215963.db2.gz QBAQKIPYBXMOCT-NEWSRXKRSA-N 2 2 345.487 2.001 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459396088 245102827 /nfs/dbraw/zinc/10/28/27/245102827.db2.gz BTJUGXMDBXJUIK-ZDUSSCGKSA-N 2 2 343.265 2.355 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(O)c1Br ZINC000459396088 245102829 /nfs/dbraw/zinc/10/28/29/245102829.db2.gz BTJUGXMDBXJUIK-ZDUSSCGKSA-N 2 2 343.265 2.355 10 0 EEAELP Cn1nccc1[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000459721302 245224574 /nfs/dbraw/zinc/22/45/74/245224574.db2.gz TZLWAIIYSMMVAX-QGZVFWFLSA-N 2 2 348.878 2.361 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)CCO1 ZINC000079489560 217232552 /nfs/dbraw/zinc/23/25/52/217232552.db2.gz IZEYONCFPIDGBS-OAHLLOKOSA-N 2 2 349.450 2.339 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)CCO1 ZINC000079489560 217232555 /nfs/dbraw/zinc/23/25/55/217232555.db2.gz IZEYONCFPIDGBS-OAHLLOKOSA-N 2 2 349.450 2.339 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)N(C)Cc1[nH+]ccn1CC(F)(F)F ZINC000264233444 246217157 /nfs/dbraw/zinc/21/71/57/246217157.db2.gz FTUVBGZQBWJYRG-GFCCVEGCSA-N 2 2 349.401 2.317 10 0 EEAELP C[NH+](C)C1CC[NH+](C(C)(C)CNC(=O)[C@@H]2COc3ccccc32)CC1 ZINC000095396717 218329306 /nfs/dbraw/zinc/32/93/06/218329306.db2.gz OFZAMFDGZIVHIN-QGZVFWFLSA-N 2 2 345.487 2.083 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000112554532 220349601 /nfs/dbraw/zinc/34/96/01/220349601.db2.gz FFGWRVHJCNLPFM-HZPDHXFCSA-N 2 2 329.492 2.349 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)CCO1 ZINC000111236536 142354313 /nfs/dbraw/zinc/35/43/13/142354313.db2.gz MEOLNAJJUIKEPX-OAHLLOKOSA-N 2 2 341.455 2.213 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)CCO1 ZINC000111236536 142354320 /nfs/dbraw/zinc/35/43/20/142354320.db2.gz MEOLNAJJUIKEPX-OAHLLOKOSA-N 2 2 341.455 2.213 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000356012288 153244572 /nfs/dbraw/zinc/24/45/72/153244572.db2.gz NNRANXRGPWQOOH-ZDUSSCGKSA-N 2 2 348.397 2.318 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000356012288 153244576 /nfs/dbraw/zinc/24/45/76/153244576.db2.gz NNRANXRGPWQOOH-ZDUSSCGKSA-N 2 2 348.397 2.318 10 0 EEAELP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357770289 153335748 /nfs/dbraw/zinc/33/57/48/153335748.db2.gz FEXIPALOHBAWIW-HUUCEWRRSA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357770289 153335753 /nfs/dbraw/zinc/33/57/53/153335753.db2.gz FEXIPALOHBAWIW-HUUCEWRRSA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357770289 153335756 /nfs/dbraw/zinc/33/57/56/153335756.db2.gz FEXIPALOHBAWIW-HUUCEWRRSA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357770289 153335759 /nfs/dbraw/zinc/33/57/59/153335759.db2.gz FEXIPALOHBAWIW-HUUCEWRRSA-N 2 2 333.480 2.221 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000374217421 154007307 /nfs/dbraw/zinc/00/73/07/154007307.db2.gz OGBVKDKGEWXGJG-UHFFFAOYSA-N 2 2 334.427 2.497 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000248717060 160358174 /nfs/dbraw/zinc/35/81/74/160358174.db2.gz KRLDKXCLJVVBOS-UONOGXRCSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000248717060 160358175 /nfs/dbraw/zinc/35/81/75/160358175.db2.gz KRLDKXCLJVVBOS-UONOGXRCSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000248717453 160358232 /nfs/dbraw/zinc/35/82/32/160358232.db2.gz GOUIGHISGXJLIF-IAGOWNOFSA-N 2 2 345.491 2.032 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000248717453 160358234 /nfs/dbraw/zinc/35/82/34/160358234.db2.gz GOUIGHISGXJLIF-IAGOWNOFSA-N 2 2 345.491 2.032 10 0 EEAELP c1c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000093665542 159237708 /nfs/dbraw/zinc/23/77/08/159237708.db2.gz LQFSADJVJGWCDM-MRXNPFEDSA-N 2 2 326.444 2.231 10 0 EEAELP c1c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)[nH]nc1-c1ccccc1 ZINC000093665542 159237711 /nfs/dbraw/zinc/23/77/11/159237711.db2.gz LQFSADJVJGWCDM-MRXNPFEDSA-N 2 2 326.444 2.231 10 0 EEAELP CCOCC[N@H+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000107791613 159336835 /nfs/dbraw/zinc/33/68/35/159336835.db2.gz YMVCAADDQRAMOR-GOSISDBHSA-N 2 2 347.503 2.250 10 0 EEAELP CCOCC[N@@H+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000107791613 159336837 /nfs/dbraw/zinc/33/68/37/159336837.db2.gz YMVCAADDQRAMOR-GOSISDBHSA-N 2 2 347.503 2.250 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110630864 159361844 /nfs/dbraw/zinc/36/18/44/159361844.db2.gz WRPRJYMRMNSUGP-KRWDZBQOSA-N 2 2 345.487 2.123 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110630864 159361847 /nfs/dbraw/zinc/36/18/47/159361847.db2.gz WRPRJYMRMNSUGP-KRWDZBQOSA-N 2 2 345.487 2.123 10 0 EEAELP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000185253233 160032854 /nfs/dbraw/zinc/03/28/54/160032854.db2.gz KFNGWIJKLRZTBD-UHFFFAOYSA-N 2 2 340.471 2.498 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000245659356 160246813 /nfs/dbraw/zinc/24/68/13/160246813.db2.gz CXNREOWINBEJJH-CVEARBPZSA-N 2 2 333.480 2.307 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000245659356 160246814 /nfs/dbraw/zinc/24/68/14/160246814.db2.gz CXNREOWINBEJJH-CVEARBPZSA-N 2 2 333.480 2.307 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc(N3CCOCC3)s2)[C@@H](C)C1 ZINC000245742595 160250300 /nfs/dbraw/zinc/25/03/00/160250300.db2.gz MCFZSTVUCWKVAT-GOEBONIOSA-N 2 2 338.521 2.142 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc(N3CCOCC3)s2)[C@@H](C)C1 ZINC000245742595 160250301 /nfs/dbraw/zinc/25/03/01/160250301.db2.gz MCFZSTVUCWKVAT-GOEBONIOSA-N 2 2 338.521 2.142 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc(N3CCOCC3)s2)[C@@H](C)C1 ZINC000245742595 160250302 /nfs/dbraw/zinc/25/03/02/160250302.db2.gz MCFZSTVUCWKVAT-GOEBONIOSA-N 2 2 338.521 2.142 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc(N3CCOCC3)s2)[C@@H](C)C1 ZINC000245742595 160250303 /nfs/dbraw/zinc/25/03/03/160250303.db2.gz MCFZSTVUCWKVAT-GOEBONIOSA-N 2 2 338.521 2.142 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000247306210 160319070 /nfs/dbraw/zinc/31/90/70/160319070.db2.gz GSAIRPNFHDTAEN-CHWSQXEVSA-N 2 2 344.381 2.191 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000247306210 160319072 /nfs/dbraw/zinc/31/90/72/160319072.db2.gz GSAIRPNFHDTAEN-CHWSQXEVSA-N 2 2 344.381 2.191 10 0 EEAELP Cc1cnn(CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000341874020 161020395 /nfs/dbraw/zinc/02/03/95/161020395.db2.gz IDYZYSOAEGKCLU-UHFFFAOYSA-N 2 2 327.476 2.225 10 0 EEAELP Cc1cnn(CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000341874020 161020396 /nfs/dbraw/zinc/02/03/96/161020396.db2.gz IDYZYSOAEGKCLU-UHFFFAOYSA-N 2 2 327.476 2.225 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345763069 161329820 /nfs/dbraw/zinc/32/98/20/161329820.db2.gz BRDDYPIKCUZHKI-UHFFFAOYSA-N 2 2 330.407 2.387 10 0 EEAELP C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cccc(-n2cc[nH+]c2)c1 ZINC000346515705 161378616 /nfs/dbraw/zinc/37/86/16/161378616.db2.gz CKBPRTFUGFQONB-ZYSHUDEJSA-N 2 2 326.444 2.386 10 0 EEAELP CN(CC[N@H+](C)C1CC1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353029768 162402759 /nfs/dbraw/zinc/40/27/59/162402759.db2.gz LIPCJDVDPAFWCO-UHFFFAOYSA-N 2 2 335.839 2.223 10 0 EEAELP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000353029768 162402760 /nfs/dbraw/zinc/40/27/60/162402760.db2.gz LIPCJDVDPAFWCO-UHFFFAOYSA-N 2 2 335.839 2.223 10 0 EEAELP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000355349883 163155979 /nfs/dbraw/zinc/15/59/79/163155979.db2.gz BJAMNPRGXWQAMR-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000355349883 163155981 /nfs/dbraw/zinc/15/59/81/163155981.db2.gz BJAMNPRGXWQAMR-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000355349883 163155983 /nfs/dbraw/zinc/15/59/83/163155983.db2.gz BJAMNPRGXWQAMR-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)C1 ZINC000355349883 163155984 /nfs/dbraw/zinc/15/59/84/163155984.db2.gz BJAMNPRGXWQAMR-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000360974081 164410409 /nfs/dbraw/zinc/41/04/09/164410409.db2.gz MZBUDFXCHPUIDS-KRWDZBQOSA-N 2 2 334.460 2.188 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@]3(CO)CC[C@H](C)C3)c2cc1C ZINC000275167898 269100181 /nfs/dbraw/zinc/10/01/81/269100181.db2.gz TWVWQDHQUCBOEK-JNAXZKDPSA-N 2 2 345.487 2.497 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@]3(CO)CC[C@H](C)C3)c2cc1C ZINC000275167898 269100183 /nfs/dbraw/zinc/10/01/83/269100183.db2.gz TWVWQDHQUCBOEK-JNAXZKDPSA-N 2 2 345.487 2.497 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(Cl)n3)CC2)CC1 ZINC000275406940 269113566 /nfs/dbraw/zinc/11/35/66/269113566.db2.gz CTUAFPRURLCXGJ-UHFFFAOYSA-N 2 2 342.896 2.085 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](CC(F)(F)F)C3)cn2)CC1 ZINC000278409606 269230135 /nfs/dbraw/zinc/23/01/35/269230135.db2.gz PURWSRMSHBMHBI-CYBMUJFWSA-N 2 2 343.397 2.003 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](CC(F)(F)F)C3)cn2)CC1 ZINC000278409606 269230136 /nfs/dbraw/zinc/23/01/36/269230136.db2.gz PURWSRMSHBMHBI-CYBMUJFWSA-N 2 2 343.397 2.003 10 0 EEAELP CC(C)CC[NH+]1CCC(CNc2nc3c(cnn3C)c(N)[nH+]2)CC1 ZINC000278419477 274353270 /nfs/dbraw/zinc/35/32/70/274353270.db2.gz OOOLESVMNRRPQM-UHFFFAOYSA-N 2 2 331.468 2.116 10 0 EEAELP Brc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)s1 ZINC000422721884 276767264 /nfs/dbraw/zinc/76/72/64/276767264.db2.gz WHGPIRZCAPHIOQ-OCCSQVGLSA-N 2 2 345.306 2.410 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420362020 289326658 /nfs/dbraw/zinc/32/66/58/289326658.db2.gz HLRDNDDWGSTTJS-RZQQEMMASA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420362020 289326662 /nfs/dbraw/zinc/32/66/62/289326662.db2.gz HLRDNDDWGSTTJS-RZQQEMMASA-N 2 2 327.472 2.428 10 0 EEAELP COCC[N@@H+]1CC[C@@H](NC[C@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000293527280 293230550 /nfs/dbraw/zinc/23/05/50/293230550.db2.gz WORDXNBAFZBHCZ-SJLPKXTDSA-N 2 2 337.533 2.322 10 0 EEAELP COCC[N@H+]1CC[C@@H](NC[C@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000293527280 293230552 /nfs/dbraw/zinc/23/05/52/293230552.db2.gz WORDXNBAFZBHCZ-SJLPKXTDSA-N 2 2 337.533 2.322 10 0 EEAELP COc1nccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000296969153 294115921 /nfs/dbraw/zinc/11/59/21/294115921.db2.gz URYOKIRCNNQZNL-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP COc1nccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000296969153 294115922 /nfs/dbraw/zinc/11/59/22/294115922.db2.gz URYOKIRCNNQZNL-CQSZACIVSA-N 2 2 327.432 2.398 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000299623347 294789206 /nfs/dbraw/zinc/78/92/06/294789206.db2.gz FFVNMKYSHXYQJG-UHFFFAOYSA-N 2 2 342.443 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000284199065 311470661 /nfs/dbraw/zinc/47/06/61/311470661.db2.gz SJPVARRWAXWKQP-HUUCEWRRSA-N 2 2 333.457 2.348 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000416852023 313336636 /nfs/dbraw/zinc/33/66/36/313336636.db2.gz MEQHJDQRRKZXGN-GOSISDBHSA-N 2 2 347.438 2.078 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000417943244 313660971 /nfs/dbraw/zinc/66/09/71/313660971.db2.gz UUBQOZQOOJCGKY-ROUUACIJSA-N 2 2 341.459 2.278 10 0 EEAELP CO[C@@H](C)c1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530241318 317703205 /nfs/dbraw/zinc/70/32/05/317703205.db2.gz QAHATMKZGHZDFG-XJKSGUPXSA-N 2 2 339.505 2.441 10 0 EEAELP Cc1nc(C)c([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000541229696 318094538 /nfs/dbraw/zinc/09/45/38/318094538.db2.gz QFEYCAUIQVAKQC-GXTWGEPZSA-N 2 2 347.488 2.335 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](Cc2cccnc2)CC1 ZINC000543620955 318164226 /nfs/dbraw/zinc/16/42/26/318164226.db2.gz YABXSCYRTWZGPS-UHFFFAOYSA-N 2 2 348.454 2.289 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000543620955 318164229 /nfs/dbraw/zinc/16/42/29/318164229.db2.gz YABXSCYRTWZGPS-UHFFFAOYSA-N 2 2 348.454 2.289 10 0 EEAELP O=C1NCCCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565479800 319186929 /nfs/dbraw/zinc/18/69/29/319186929.db2.gz LHXPHPIGIZGNMG-ZWKOTPCHSA-N 2 2 327.472 2.442 10 0 EEAELP O=C1NCCCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565479800 319186931 /nfs/dbraw/zinc/18/69/31/319186931.db2.gz LHXPHPIGIZGNMG-ZWKOTPCHSA-N 2 2 327.472 2.442 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000565694670 319204518 /nfs/dbraw/zinc/20/45/18/319204518.db2.gz SYLOVTCUZXFDCA-HZPDHXFCSA-N 2 2 333.480 2.114 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000565694670 319204521 /nfs/dbraw/zinc/20/45/21/319204521.db2.gz SYLOVTCUZXFDCA-HZPDHXFCSA-N 2 2 333.480 2.114 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000565694668 319204576 /nfs/dbraw/zinc/20/45/76/319204576.db2.gz SYLOVTCUZXFDCA-CVEARBPZSA-N 2 2 333.480 2.114 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000565694668 319204578 /nfs/dbraw/zinc/20/45/78/319204578.db2.gz SYLOVTCUZXFDCA-CVEARBPZSA-N 2 2 333.480 2.114 10 0 EEAELP Clc1ccc2nc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000566089235 319242690 /nfs/dbraw/zinc/24/26/90/319242690.db2.gz IVWYHIGXAIHWNT-HRCADAONSA-N 2 2 334.851 2.234 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[NH2+]2)c(C)c1 ZINC000579332751 323827682 /nfs/dbraw/zinc/82/76/82/323827682.db2.gz ZKPBGOCRHJQAJS-SJLPKXTDSA-N 2 2 341.459 2.292 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000581537660 324274705 /nfs/dbraw/zinc/27/47/05/324274705.db2.gz YFSYMFXAXZYRGQ-RDJZCZTQSA-N 2 2 345.491 2.211 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c[nH+]1 ZINC000583311185 324636204 /nfs/dbraw/zinc/63/62/04/324636204.db2.gz AKSBNAHVGOLKSO-IBGZPJMESA-N 2 2 345.491 2.213 10 0 EEAELP Cc1cn2cc(NC(=O)Nc3ccn(CC[NH+](C)C)n3)ccc2[nH+]1 ZINC000527054614 448149029 /nfs/dbraw/zinc/14/90/29/448149029.db2.gz JTWUHBIKUDVAJA-UHFFFAOYSA-N 2 2 327.392 2.045 10 0 EEAELP COC(=O)COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000341183139 465037802 /nfs/dbraw/zinc/03/78/02/465037802.db2.gz VUECMESLQDFIJX-UHFFFAOYSA-N 2 2 329.400 2.341 10 0 EEAELP COc1cccc(CC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000341291785 465094708 /nfs/dbraw/zinc/09/47/08/465094708.db2.gz VTSSXGOUPWYERH-UHFFFAOYSA-N 2 2 326.444 2.282 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000358577438 465202000 /nfs/dbraw/zinc/20/20/00/465202000.db2.gz LQASTDDGIGNKKI-CZUORRHYSA-N 2 2 345.447 2.242 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000358577438 465202006 /nfs/dbraw/zinc/20/20/06/465202006.db2.gz LQASTDDGIGNKKI-CZUORRHYSA-N 2 2 345.447 2.242 10 0 EEAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000521025762 468283593 /nfs/dbraw/zinc/28/35/93/468283593.db2.gz LQQQPSGVSIRFOJ-SLFFLAALSA-N 2 2 340.471 2.178 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046372511 462675590 /nfs/dbraw/zinc/67/55/90/462675590.db2.gz CSYCJMHLMFXZDQ-INIZCTEOSA-N 2 2 345.491 2.224 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046372511 462675594 /nfs/dbraw/zinc/67/55/94/462675594.db2.gz CSYCJMHLMFXZDQ-INIZCTEOSA-N 2 2 345.491 2.224 10 0 EEAELP CCn1nc(C)c(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)c1C ZINC000075132699 462683469 /nfs/dbraw/zinc/68/34/69/462683469.db2.gz OBSLWIQKVQIRBM-HNNXBMFYSA-N 2 2 343.479 2.110 10 0 EEAELP Cn1cc([C@@](C)(O)C[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000090187282 462785849 /nfs/dbraw/zinc/78/58/49/462785849.db2.gz AMBCOUFUCWYWJU-ICSRJNTNSA-N 2 2 342.487 2.270 10 0 EEAELP Cn1cc([C@@](C)(O)C[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)cn1 ZINC000090187282 462785850 /nfs/dbraw/zinc/78/58/50/462785850.db2.gz AMBCOUFUCWYWJU-ICSRJNTNSA-N 2 2 342.487 2.270 10 0 EEAELP CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000090410490 462789006 /nfs/dbraw/zinc/78/90/06/462789006.db2.gz SVNHQGSOWSPFKT-HOCLYGCPSA-N 2 2 327.432 2.327 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000076830659 462913965 /nfs/dbraw/zinc/91/39/65/462913965.db2.gz WHFALJOSDTWKPP-INIZCTEOSA-N 2 2 326.444 2.431 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)Cn3cc[nH+]c3)cc2)C1 ZINC000076830659 462913971 /nfs/dbraw/zinc/91/39/71/462913971.db2.gz WHFALJOSDTWKPP-INIZCTEOSA-N 2 2 326.444 2.431 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000093404827 463036504 /nfs/dbraw/zinc/03/65/04/463036504.db2.gz GYASQRQPCQOHPL-HOCLYGCPSA-N 2 2 331.464 2.108 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000093404827 463036506 /nfs/dbraw/zinc/03/65/06/463036506.db2.gz GYASQRQPCQOHPL-HOCLYGCPSA-N 2 2 331.464 2.108 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000151719025 463580436 /nfs/dbraw/zinc/58/04/36/463580436.db2.gz UGLYMOPMWDNGHP-IBGZPJMESA-N 3 2 330.520 2.402 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000151719025 463580439 /nfs/dbraw/zinc/58/04/39/463580439.db2.gz UGLYMOPMWDNGHP-IBGZPJMESA-N 3 2 330.520 2.402 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000193812158 463743361 /nfs/dbraw/zinc/74/33/61/463743361.db2.gz FUJZJADIQYKVOD-MRXNPFEDSA-N 2 2 326.868 2.244 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000194351986 463843541 /nfs/dbraw/zinc/84/35/41/463843541.db2.gz RZKRBFUMHXSKIT-KRWDZBQOSA-N 2 2 346.475 2.125 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000194351986 463843547 /nfs/dbraw/zinc/84/35/47/463843547.db2.gz RZKRBFUMHXSKIT-KRWDZBQOSA-N 2 2 346.475 2.125 10 0 EEAELP O=C(c1cc(C[NH+]2CCCC2)on1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000292473715 464245107 /nfs/dbraw/zinc/24/51/07/464245107.db2.gz ZAQUXIHJJXPNNQ-UHFFFAOYSA-N 2 2 329.404 2.013 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173523814 464276475 /nfs/dbraw/zinc/27/64/75/464276475.db2.gz HFQUBXJNGIJOOV-GDBMZVCRSA-N 2 2 343.475 2.469 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173523814 464276477 /nfs/dbraw/zinc/27/64/77/464276477.db2.gz HFQUBXJNGIJOOV-GDBMZVCRSA-N 2 2 343.475 2.469 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(CO)o2)CCC[NH+]1C ZINC000284855448 464366034 /nfs/dbraw/zinc/36/60/34/464366034.db2.gz OTRCILQCHYXLLX-KBXCAEBGSA-N 2 2 332.448 2.020 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(CO)o2)CCC[NH+]1C ZINC000284855448 464366040 /nfs/dbraw/zinc/36/60/40/464366040.db2.gz OTRCILQCHYXLLX-KBXCAEBGSA-N 2 2 332.448 2.020 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc(CO)o2)CCC[N@@H+]1C ZINC000284855448 464366044 /nfs/dbraw/zinc/36/60/44/464366044.db2.gz OTRCILQCHYXLLX-KBXCAEBGSA-N 2 2 332.448 2.020 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc(CO)o2)CCC[N@H+]1C ZINC000284855448 464366050 /nfs/dbraw/zinc/36/60/50/464366050.db2.gz OTRCILQCHYXLLX-KBXCAEBGSA-N 2 2 332.448 2.020 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000238062454 464427248 /nfs/dbraw/zinc/42/72/48/464427248.db2.gz KHNCRLDFGPPACJ-WDSOQIARSA-N 2 2 343.471 2.378 10 0 EEAELP Cc1ccccc1NC(=O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174875979 464463269 /nfs/dbraw/zinc/46/32/69/464463269.db2.gz USPMHYXPMPTBGW-GOSISDBHSA-N 2 2 344.503 2.035 10 0 EEAELP Cc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174875979 464463274 /nfs/dbraw/zinc/46/32/74/464463274.db2.gz USPMHYXPMPTBGW-GOSISDBHSA-N 2 2 344.503 2.035 10 0 EEAELP CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000175252605 464514129 /nfs/dbraw/zinc/51/41/29/464514129.db2.gz UCPVDVXKPJAYQO-KGLIPLIRSA-N 2 2 331.420 2.414 10 0 EEAELP CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000175252605 464514136 /nfs/dbraw/zinc/51/41/36/464514136.db2.gz UCPVDVXKPJAYQO-KGLIPLIRSA-N 2 2 331.420 2.414 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000183022208 464777856 /nfs/dbraw/zinc/77/78/56/464777856.db2.gz GNRKRTFMAJPRDA-IPYPFGDCSA-N 2 2 330.519 2.154 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000183022208 464777860 /nfs/dbraw/zinc/77/78/60/464777860.db2.gz GNRKRTFMAJPRDA-IPYPFGDCSA-N 2 2 330.519 2.154 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266761445 464812762 /nfs/dbraw/zinc/81/27/62/464812762.db2.gz QELUJKOJHZCYIY-INIZCTEOSA-N 2 2 345.443 2.428 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000249283435 464858601 /nfs/dbraw/zinc/85/86/01/464858601.db2.gz LEQIXOMZUBIJFE-RDJZCZTQSA-N 2 2 349.523 2.309 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@@H](C)C1 ZINC000249283435 464858607 /nfs/dbraw/zinc/85/86/07/464858607.db2.gz LEQIXOMZUBIJFE-RDJZCZTQSA-N 2 2 349.523 2.309 10 0 EEAELP COc1nccnc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295540046 464874233 /nfs/dbraw/zinc/87/42/33/464874233.db2.gz XJCBYQUJBQNVHX-WBVHZDCISA-N 2 2 326.444 2.485 10 0 EEAELP COc1nccnc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295540046 464874241 /nfs/dbraw/zinc/87/42/41/464874241.db2.gz XJCBYQUJBQNVHX-WBVHZDCISA-N 2 2 326.444 2.485 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)c2ccccc2F)CC1 ZINC000177140818 464940932 /nfs/dbraw/zinc/94/09/32/464940932.db2.gz UORHVEFXIQIXDV-UHFFFAOYSA-N 2 2 335.467 2.246 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192670419 464972955 /nfs/dbraw/zinc/97/29/55/464972955.db2.gz RDJNYXVJPSTQEY-CHWSQXEVSA-N 2 2 325.403 2.168 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000177379546 464998982 /nfs/dbraw/zinc/99/89/82/464998982.db2.gz GRTROVUTNXQXDV-UONOGXRCSA-N 2 2 337.439 2.038 10 0 EEAELP COC(=O)c1oc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1C ZINC000597057642 468430247 /nfs/dbraw/zinc/43/02/47/468430247.db2.gz HKMPVMVIUZIBAA-OAHLLOKOSA-N 2 2 336.432 2.108 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000348013458 465371405 /nfs/dbraw/zinc/37/14/05/465371405.db2.gz NGLTUXVKQCBWQQ-INIZCTEOSA-N 2 2 345.491 2.021 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348013458 465371411 /nfs/dbraw/zinc/37/14/11/465371411.db2.gz NGLTUXVKQCBWQQ-INIZCTEOSA-N 2 2 345.491 2.021 10 0 EEAELP CCn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000366287662 465634678 /nfs/dbraw/zinc/63/46/78/465634678.db2.gz UEMVWHAWOZLIPV-KZNAEPCWSA-N 2 2 325.460 2.298 10 0 EEAELP CCn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000366287662 465634686 /nfs/dbraw/zinc/63/46/86/465634686.db2.gz UEMVWHAWOZLIPV-KZNAEPCWSA-N 2 2 325.460 2.298 10 0 EEAELP C[C@H](C1CC1)n1nccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000361112027 465771681 /nfs/dbraw/zinc/77/16/81/465771681.db2.gz WOCKXSMISDBQKJ-CQSZACIVSA-N 2 2 348.495 2.002 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCOCC1 ZINC000361336649 465916513 /nfs/dbraw/zinc/91/65/13/465916513.db2.gz RCGIVRRYINFZSK-UYAOXDASSA-N 2 2 331.504 2.209 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[N@H+]1CCCOCC1 ZINC000361336649 465916529 /nfs/dbraw/zinc/91/65/29/465916529.db2.gz RCGIVRRYINFZSK-UYAOXDASSA-N 2 2 331.504 2.209 10 0 EEAELP C[C@H](c1c(F)cccc1F)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338233413 465925596 /nfs/dbraw/zinc/92/55/96/465925596.db2.gz JJXPFNKZMBNWMA-CYBMUJFWSA-N 2 2 325.403 2.122 10 0 EEAELP C[C@H](c1c(F)cccc1F)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000338233413 465925602 /nfs/dbraw/zinc/92/56/02/465925602.db2.gz JJXPFNKZMBNWMA-CYBMUJFWSA-N 2 2 325.403 2.122 10 0 EEAELP CCn1nccc1C[N@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361355015 465931096 /nfs/dbraw/zinc/93/10/96/465931096.db2.gz GQBQLASDNUJRQC-UHFFFAOYSA-N 2 2 339.443 2.392 10 0 EEAELP CCn1nccc1C[N@@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1C ZINC000361355015 465931104 /nfs/dbraw/zinc/93/11/04/465931104.db2.gz GQBQLASDNUJRQC-UHFFFAOYSA-N 2 2 339.443 2.392 10 0 EEAELP Cc1ccc(C2CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC2)c[nH+]1 ZINC000371737103 465971150 /nfs/dbraw/zinc/97/11/50/465971150.db2.gz ZZMBRUZMZBZFMQ-UHFFFAOYSA-N 2 2 332.448 2.194 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)[C@@H]2CCC[C@H]21 ZINC000353682860 466063386 /nfs/dbraw/zinc/06/33/86/466063386.db2.gz PAZJCRSFIIHUTJ-OKZBNKHCSA-N 2 2 343.450 2.428 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ncn(Cc3cccc(F)c3)n2)[C@@H]2CCC[C@H]21 ZINC000353682860 466063392 /nfs/dbraw/zinc/06/33/92/466063392.db2.gz PAZJCRSFIIHUTJ-OKZBNKHCSA-N 2 2 343.450 2.428 10 0 EEAELP CCN1CCN(c2cc[nH+]cc2Br)C[C@H]1c1[nH]cc[nH+]1 ZINC000367089047 466122373 /nfs/dbraw/zinc/12/23/73/466122373.db2.gz YYKJFJRSBKXOBT-ZDUSSCGKSA-N 2 2 336.237 2.450 10 0 EEAELP Cn1c[nH+]cc1Cc1noc(-c2ccccc2OCC[NH+](C)C)n1 ZINC000346925535 466255113 /nfs/dbraw/zinc/25/51/13/466255113.db2.gz BNGJJSSRXQKXBW-UHFFFAOYSA-N 2 2 327.388 2.001 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000358118228 466472372 /nfs/dbraw/zinc/47/23/72/466472372.db2.gz BFCCQQOAZHKCSA-JLSDUUJJSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000358118228 466472380 /nfs/dbraw/zinc/47/23/80/466472380.db2.gz BFCCQQOAZHKCSA-JLSDUUJJSA-N 2 2 337.895 2.253 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000338935803 466500017 /nfs/dbraw/zinc/50/00/17/466500017.db2.gz CWRABXPLFWVCAE-OAHLLOKOSA-N 2 2 343.475 2.676 10 0 EEAELP Cc1ccc(C2CCN(c3cc(-n4cccn4)nc(N)[nH+]3)CC2)c[nH+]1 ZINC000363675558 466552882 /nfs/dbraw/zinc/55/28/82/466552882.db2.gz UFGXXNAORBQDHD-UHFFFAOYSA-N 2 2 335.415 2.332 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000358233412 466560182 /nfs/dbraw/zinc/56/01/82/466560182.db2.gz DPAHBQUCVMWKIZ-JRPNMDOOSA-N 2 2 325.815 2.124 10 0 EEAELP CN(C(=O)c1ccoc1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373042547 466674013 /nfs/dbraw/zinc/67/40/13/466674013.db2.gz MGSVXXQJSOWMOA-MRXNPFEDSA-N 2 2 331.460 2.398 10 0 EEAELP CN(C(=O)c1ccoc1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373042547 466674016 /nfs/dbraw/zinc/67/40/16/466674016.db2.gz MGSVXXQJSOWMOA-MRXNPFEDSA-N 2 2 331.460 2.398 10 0 EEAELP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373084475 466686422 /nfs/dbraw/zinc/68/64/22/466686422.db2.gz RPZOFGYPCRXUGN-MRXNPFEDSA-N 2 2 331.464 2.316 10 0 EEAELP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373084475 466686425 /nfs/dbraw/zinc/68/64/25/466686425.db2.gz RPZOFGYPCRXUGN-MRXNPFEDSA-N 2 2 331.464 2.316 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c(C)[nH+]1 ZINC000411219508 466785412 /nfs/dbraw/zinc/78/54/12/466785412.db2.gz AAIHDVYOBUXCOK-HUUCEWRRSA-N 2 2 346.475 2.324 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NCC3([NH3+])CCCCCC3)cn2c1 ZINC000417190737 466798580 /nfs/dbraw/zinc/79/85/80/466798580.db2.gz KWBPEDOSZWVKGJ-UHFFFAOYSA-N 2 2 329.448 2.494 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423824710 466859782 /nfs/dbraw/zinc/85/97/82/466859782.db2.gz KZYBYSZUVMYDEY-GJZGRUSLSA-N 2 2 339.842 2.340 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423824710 466859787 /nfs/dbraw/zinc/85/97/87/466859787.db2.gz KZYBYSZUVMYDEY-GJZGRUSLSA-N 2 2 339.842 2.340 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000377657594 467108264 /nfs/dbraw/zinc/10/82/64/467108264.db2.gz HTHSNRMHVVSIGB-SFHVURJKSA-N 2 2 332.423 2.206 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000377657594 467108267 /nfs/dbraw/zinc/10/82/67/467108267.db2.gz HTHSNRMHVVSIGB-SFHVURJKSA-N 2 2 332.423 2.206 10 0 EEAELP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000418462044 467114114 /nfs/dbraw/zinc/11/41/14/467114114.db2.gz MSGHBZIBTDJOMH-HNNXBMFYSA-N 2 2 339.443 2.133 10 0 EEAELP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418553385 467127588 /nfs/dbraw/zinc/12/75/88/467127588.db2.gz MYVFCJTZBHMWFG-IIAWOOMASA-N 2 2 336.505 2.134 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418696195 467147010 /nfs/dbraw/zinc/14/70/10/467147010.db2.gz KMAPEWGCDNODOL-MELADBBJSA-N 2 2 338.883 2.464 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccc(Cl)cc2)CC1)[C@H](C)[NH3+] ZINC000418696192 467147132 /nfs/dbraw/zinc/14/71/32/467147132.db2.gz KMAPEWGCDNODOL-BFHYXJOUSA-N 2 2 338.883 2.464 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000418706606 467148566 /nfs/dbraw/zinc/14/85/66/467148566.db2.gz FOECCUKGOPRRLI-KGLIPLIRSA-N 2 2 338.883 2.466 10 0 EEAELP O=C1CC[C@@H]([NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)CCN1 ZINC000450895973 467199647 /nfs/dbraw/zinc/19/96/47/467199647.db2.gz ZDPZUOSHNDGKLL-CYBMUJFWSA-N 2 2 330.457 2.087 10 0 EEAELP O=C1CC[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1 ZINC000450929251 467208610 /nfs/dbraw/zinc/20/86/10/467208610.db2.gz UBQXVWRLRXXPCI-HZPDHXFCSA-N 2 2 330.476 2.315 10 0 EEAELP O=C1CC[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1 ZINC000450929251 467208615 /nfs/dbraw/zinc/20/86/15/467208615.db2.gz UBQXVWRLRXXPCI-HZPDHXFCSA-N 2 2 330.476 2.315 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420373730 467383276 /nfs/dbraw/zinc/38/32/76/467383276.db2.gz NEMKQACSUSAWEH-HKUYNNGSSA-N 2 2 331.460 2.488 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420373730 467383281 /nfs/dbraw/zinc/38/32/81/467383281.db2.gz NEMKQACSUSAWEH-HKUYNNGSSA-N 2 2 331.460 2.488 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420386789 467389485 /nfs/dbraw/zinc/38/94/85/467389485.db2.gz VQYRSJHWZFNJPV-UWVAXJGDSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420386789 467389488 /nfs/dbraw/zinc/38/94/88/467389488.db2.gz VQYRSJHWZFNJPV-UWVAXJGDSA-N 2 2 329.488 2.370 10 0 EEAELP CC(C)[C@H]([NH3+])CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414752269 467435395 /nfs/dbraw/zinc/43/53/95/467435395.db2.gz OUYMCXZFVAKJAW-CYBMUJFWSA-N 2 2 325.482 2.234 10 0 EEAELP C[C@H](Cc1ccoc1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000449108185 467618290 /nfs/dbraw/zinc/61/82/90/467618290.db2.gz PYNNSEHHMOGHCC-QGZVFWFLSA-N 3 2 328.460 2.408 10 0 EEAELP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000449393464 467636747 /nfs/dbraw/zinc/63/67/47/467636747.db2.gz CETKNIHPHQJRQU-BZSNNMDCSA-N 2 2 340.508 2.325 10 0 EEAELP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2CCO)C1 ZINC000449393464 467636748 /nfs/dbraw/zinc/63/67/48/467636748.db2.gz CETKNIHPHQJRQU-BZSNNMDCSA-N 2 2 340.508 2.325 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCCCO2 ZINC000449398693 467638172 /nfs/dbraw/zinc/63/81/72/467638172.db2.gz VYUUBCNLMAJZIC-RDJZCZTQSA-N 2 2 334.460 2.345 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCCCO2 ZINC000449398693 467638176 /nfs/dbraw/zinc/63/81/76/467638176.db2.gz VYUUBCNLMAJZIC-RDJZCZTQSA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1F ZINC000449397171 467639008 /nfs/dbraw/zinc/63/90/08/467639008.db2.gz ULWIMVANJFYITJ-RDJZCZTQSA-N 2 2 338.467 2.449 10 0 EEAELP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1F ZINC000449397171 467639013 /nfs/dbraw/zinc/63/90/13/467639013.db2.gz ULWIMVANJFYITJ-RDJZCZTQSA-N 2 2 338.467 2.449 10 0 EEAELP CCc1cccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000449964009 467751918 /nfs/dbraw/zinc/75/19/18/467751918.db2.gz DXAXTOGOKQVPQJ-UHFFFAOYSA-N 2 2 344.503 2.324 10 0 EEAELP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCc1[nH+]ccn1CC)c1ccco1 ZINC000458772898 467896381 /nfs/dbraw/zinc/89/63/81/467896381.db2.gz PIDYBARIQRKEFF-KBPBESRZSA-N 2 2 333.436 2.425 10 0 EEAELP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000515027770 467968823 /nfs/dbraw/zinc/96/88/23/467968823.db2.gz AQUMRMQKJSZKQM-JSGCOSHPSA-N 2 2 327.436 2.091 10 0 EEAELP C[C@@H](c1nnnn1C1CC1)[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000515027770 467968827 /nfs/dbraw/zinc/96/88/27/467968827.db2.gz AQUMRMQKJSZKQM-JSGCOSHPSA-N 2 2 327.436 2.091 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519151449 468145745 /nfs/dbraw/zinc/14/57/45/468145745.db2.gz ZCFGEPVUELVLBJ-DAXOMENPSA-N 2 2 339.842 2.340 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000519151449 468145751 /nfs/dbraw/zinc/14/57/51/468145751.db2.gz ZCFGEPVUELVLBJ-DAXOMENPSA-N 2 2 339.842 2.340 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C ZINC000533448336 468200803 /nfs/dbraw/zinc/20/08/03/468200803.db2.gz CIDJUDVTZKOUDO-GGEQCSGTSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@H+]1C ZINC000533448336 468200806 /nfs/dbraw/zinc/20/08/06/468200806.db2.gz CIDJUDVTZKOUDO-GGEQCSGTSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH+]1C ZINC000533448336 468200814 /nfs/dbraw/zinc/20/08/14/468200814.db2.gz CIDJUDVTZKOUDO-GGEQCSGTSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH+]1C ZINC000533448336 468200822 /nfs/dbraw/zinc/20/08/22/468200822.db2.gz CIDJUDVTZKOUDO-GGEQCSGTSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000556765035 468568231 /nfs/dbraw/zinc/56/82/31/468568231.db2.gz APKHPIVXKUJQJM-YDHLFZDLSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](O)[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000556765035 468568235 /nfs/dbraw/zinc/56/82/35/468568235.db2.gz APKHPIVXKUJQJM-YDHLFZDLSA-N 2 2 328.416 2.106 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000582720444 468583519 /nfs/dbraw/zinc/58/35/19/468583519.db2.gz NDQQEPQWLUZNHD-MRXNPFEDSA-N 2 2 339.867 2.369 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000582720444 468583523 /nfs/dbraw/zinc/58/35/23/468583523.db2.gz NDQQEPQWLUZNHD-MRXNPFEDSA-N 2 2 339.867 2.369 10 0 EEAELP COCC[NH+](CCOC)C1CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC000583141037 468650043 /nfs/dbraw/zinc/65/00/43/468650043.db2.gz HGSRRRIFCYGDQX-UHFFFAOYSA-N 2 2 349.519 2.300 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c[nH+]1 ZINC000583311186 468677140 /nfs/dbraw/zinc/67/71/40/468677140.db2.gz AKSBNAHVGOLKSO-LJQANCHMSA-N 2 2 345.491 2.213 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@H]3CS(=O)(=O)c4ccccc43)c[nH+]c12 ZINC000560139856 468770099 /nfs/dbraw/zinc/77/00/99/468770099.db2.gz FCGQDQGOIPLLRF-AWEZNQCLSA-N 2 2 341.436 2.303 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1c1ccccc1 ZINC000571458436 468791247 /nfs/dbraw/zinc/79/12/47/468791247.db2.gz DLFNWVRTVNETMJ-UWWQBHOKSA-N 2 2 339.443 2.012 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1c1ccccc1 ZINC000571458436 468791250 /nfs/dbraw/zinc/79/12/50/468791250.db2.gz DLFNWVRTVNETMJ-UWWQBHOKSA-N 2 2 339.443 2.012 10 0 EEAELP CN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000601236398 468792716 /nfs/dbraw/zinc/79/27/16/468792716.db2.gz HIFBNNKDTFTQDN-QGZVFWFLSA-N 2 2 343.475 2.060 10 0 EEAELP CN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000601236398 468792723 /nfs/dbraw/zinc/79/27/23/468792723.db2.gz HIFBNNKDTFTQDN-QGZVFWFLSA-N 2 2 343.475 2.060 10 0 EEAELP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000584771547 468932074 /nfs/dbraw/zinc/93/20/74/468932074.db2.gz OZIYTCIDPHPRIV-GFCCVEGCSA-N 2 2 332.473 2.363 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744474 469372043 /nfs/dbraw/zinc/37/20/43/469372043.db2.gz PAPVHAKWXAPBLN-IIAWOOMASA-N 2 2 346.393 2.212 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744474 469372047 /nfs/dbraw/zinc/37/20/47/469372047.db2.gz PAPVHAKWXAPBLN-IIAWOOMASA-N 2 2 346.393 2.212 10 0 EEAELP COc1nsc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1Br ZINC000623051643 469534248 /nfs/dbraw/zinc/53/42/48/469534248.db2.gz GNWXDKIECXHFAV-BDAKNGLRSA-N 2 2 334.283 2.487 10 0 EEAELP COc1nsc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1Br ZINC000623051643 469534250 /nfs/dbraw/zinc/53/42/50/469534250.db2.gz GNWXDKIECXHFAV-BDAKNGLRSA-N 2 2 334.283 2.487 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000629524459 469573206 /nfs/dbraw/zinc/57/32/06/469573206.db2.gz MKOYODOBZUVXRE-HSALFYBXSA-N 3 2 343.515 2.385 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000629524459 469573207 /nfs/dbraw/zinc/57/32/07/469573207.db2.gz MKOYODOBZUVXRE-HSALFYBXSA-N 3 2 343.515 2.385 10 0 EEAELP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccc1OCC(=O)N(C)C ZINC000629526074 469573214 /nfs/dbraw/zinc/57/32/14/469573214.db2.gz KBZUHMUHDVUHSU-IXDOHACOSA-N 2 2 333.476 2.335 10 0 EEAELP C(c1nc(C2CCCCC2)no1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000629550845 469576920 /nfs/dbraw/zinc/57/69/20/469576920.db2.gz PHWKSWPJDPJSEC-QGZVFWFLSA-N 2 2 348.491 2.360 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(F)cc1 ZINC000629584847 469584728 /nfs/dbraw/zinc/58/47/28/469584728.db2.gz VOPPOCPURAWLSN-KODHJQJWSA-N 2 2 333.451 2.323 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(F)cc1 ZINC000629584847 469584731 /nfs/dbraw/zinc/58/47/31/469584731.db2.gz VOPPOCPURAWLSN-KODHJQJWSA-N 2 2 333.451 2.323 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000623548514 469689559 /nfs/dbraw/zinc/68/95/59/469689559.db2.gz XKLQVSXGOAEUJC-ROUUACIJSA-N 2 2 340.471 2.043 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)CC2 ZINC000623547841 469689841 /nfs/dbraw/zinc/68/98/41/469689841.db2.gz DSCWEAZFRHIGBG-WBVHZDCISA-N 2 2 344.434 2.312 10 0 EEAELP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)oc2c1C(=O)CCC2 ZINC000617504779 469704158 /nfs/dbraw/zinc/70/41/58/469704158.db2.gz KBSREUFFYHSXEM-ZDUSSCGKSA-N 2 2 349.475 2.109 10 0 EEAELP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)oc2c1C(=O)CCC2 ZINC000617504779 469704163 /nfs/dbraw/zinc/70/41/63/469704163.db2.gz KBSREUFFYHSXEM-ZDUSSCGKSA-N 2 2 349.475 2.109 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)CC2 ZINC000623914267 469794136 /nfs/dbraw/zinc/79/41/36/469794136.db2.gz SKNMMMLHBVKDJR-UKRRQHHQSA-N 2 2 332.473 2.235 10 0 EEAELP Cn1ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1-c1ccccc1 ZINC000617763077 469794676 /nfs/dbraw/zinc/79/46/76/469794676.db2.gz DGQMIHBIBANBRM-UHFFFAOYSA-N 2 2 342.487 2.305 10 0 EEAELP Cn1ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1-c1ccccc1 ZINC000617763077 469794679 /nfs/dbraw/zinc/79/46/79/469794679.db2.gz DGQMIHBIBANBRM-UHFFFAOYSA-N 2 2 342.487 2.305 10 0 EEAELP CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC000617925924 469841180 /nfs/dbraw/zinc/84/11/80/469841180.db2.gz UWSCPEAJGVTFEV-SFHVURJKSA-N 2 2 340.471 2.417 10 0 EEAELP CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC000617925924 469841185 /nfs/dbraw/zinc/84/11/85/469841185.db2.gz UWSCPEAJGVTFEV-SFHVURJKSA-N 2 2 340.471 2.417 10 0 EEAELP Cc1cc(N2CCC([NH+]3CCOCC3)CC2)nc(-c2ccncc2)[nH+]1 ZINC000624404601 469929418 /nfs/dbraw/zinc/92/94/18/469929418.db2.gz UJQFADIRAQYTIG-UHFFFAOYSA-N 2 2 339.443 2.148 10 0 EEAELP Cc1scc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1C ZINC000631111389 470070916 /nfs/dbraw/zinc/07/09/16/470070916.db2.gz PLKODGSGXSWXEF-HNNXBMFYSA-N 2 2 332.473 2.379 10 0 EEAELP COc1nccnc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196050 470090815 /nfs/dbraw/zinc/09/08/15/470090815.db2.gz NHBZWIBIGQARLB-DOTOQJQBSA-N 2 2 326.444 2.343 10 0 EEAELP COc1nccnc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196050 470090817 /nfs/dbraw/zinc/09/08/17/470090817.db2.gz NHBZWIBIGQARLB-DOTOQJQBSA-N 2 2 326.444 2.343 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885800 470189180 /nfs/dbraw/zinc/18/91/80/470189180.db2.gz DWSYNRIPZIRYHQ-WMZOPIPTSA-N 2 2 333.451 2.248 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885800 470189181 /nfs/dbraw/zinc/18/91/81/470189181.db2.gz DWSYNRIPZIRYHQ-WMZOPIPTSA-N 2 2 333.451 2.248 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC1(c2ccccc2)CCC1 ZINC000631886462 470189379 /nfs/dbraw/zinc/18/93/79/470189379.db2.gz HTALGPVKKWQIRC-SJLPKXTDSA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC1(c2ccccc2)CCC1 ZINC000631886462 470189380 /nfs/dbraw/zinc/18/93/80/470189380.db2.gz HTALGPVKKWQIRC-SJLPKXTDSA-N 2 2 327.472 2.256 10 0 EEAELP CC(C)(C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000634640537 470273194 /nfs/dbraw/zinc/27/31/94/470273194.db2.gz BHXNIGJKTJPGOL-PZJWPPBQSA-N 2 2 346.515 2.325 10 0 EEAELP CC(C)(C[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000634640537 470273196 /nfs/dbraw/zinc/27/31/96/470273196.db2.gz BHXNIGJKTJPGOL-PZJWPPBQSA-N 2 2 346.515 2.325 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634643511 470273874 /nfs/dbraw/zinc/27/38/74/470273874.db2.gz DBTYTRYBWAADCZ-XFWGSAIBSA-N 2 2 332.488 2.324 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C1 ZINC000634643511 470273875 /nfs/dbraw/zinc/27/38/75/470273875.db2.gz DBTYTRYBWAADCZ-XFWGSAIBSA-N 2 2 332.488 2.324 10 0 EEAELP CC(C)n1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634705324 470282570 /nfs/dbraw/zinc/28/25/70/470282570.db2.gz YHJNPZGIHQEWIL-LJQANCHMSA-N 2 2 328.460 2.191 10 0 EEAELP CC(C)n1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634705324 470282572 /nfs/dbraw/zinc/28/25/72/470282572.db2.gz YHJNPZGIHQEWIL-LJQANCHMSA-N 2 2 328.460 2.191 10 0 EEAELP Cc1ccsc1[C@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721398 470286284 /nfs/dbraw/zinc/28/62/84/470286284.db2.gz YEAYVGZDLXHBQU-PKOBYXMFSA-N 2 2 346.496 2.317 10 0 EEAELP Cc1ccsc1[C@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721398 470286286 /nfs/dbraw/zinc/28/62/86/470286286.db2.gz YEAYVGZDLXHBQU-PKOBYXMFSA-N 2 2 346.496 2.317 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@@H+]1CCCSCC1 ZINC000638923157 470329224 /nfs/dbraw/zinc/32/92/24/470329224.db2.gz QHQBDJMTAIZBAY-UHFFFAOYSA-N 2 2 336.501 2.337 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[N@H+]1CCCSCC1 ZINC000638923157 470329230 /nfs/dbraw/zinc/32/92/30/470329230.db2.gz QHQBDJMTAIZBAY-UHFFFAOYSA-N 2 2 336.501 2.337 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000648778331 470343816 /nfs/dbraw/zinc/34/38/16/470343816.db2.gz UXMAEIFRQLAXFO-IRXDYDNUSA-N 2 2 348.491 2.110 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000648839017 470365931 /nfs/dbraw/zinc/36/59/31/470365931.db2.gz GSOZSEYIPDENHZ-LSDHHAIUSA-N 2 2 327.432 2.187 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)c3ccc(C[NH+](C)C)nc3)cn21 ZINC000649206270 470497077 /nfs/dbraw/zinc/49/70/77/470497077.db2.gz UULCOVNHDQEPDO-UHFFFAOYSA-N 2 2 337.427 2.072 10 0 EEAELP c1nc2n(n1)[C@@H](C[N@@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)CC2 ZINC000639625764 470583652 /nfs/dbraw/zinc/58/36/52/470583652.db2.gz CJXUAHJTTFCDJR-GOEBONIOSA-N 2 2 326.448 2.178 10 0 EEAELP c1nc2n(n1)[C@@H](C[N@H+]1CCC[C@H](c3[nH+]cc4n3CCCC4)C1)CC2 ZINC000639625764 470583657 /nfs/dbraw/zinc/58/36/57/470583657.db2.gz CJXUAHJTTFCDJR-GOEBONIOSA-N 2 2 326.448 2.178 10 0 EEAELP COc1ncncc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647199723 470856158 /nfs/dbraw/zinc/85/61/58/470856158.db2.gz NWEIPBVXFMBYRG-RDJZCZTQSA-N 2 2 326.444 2.485 10 0 EEAELP COc1ncncc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647199723 470856160 /nfs/dbraw/zinc/85/61/60/470856160.db2.gz NWEIPBVXFMBYRG-RDJZCZTQSA-N 2 2 326.444 2.485 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)C[N@@H+]1Cc1ccccc1 ZINC000647246561 470866211 /nfs/dbraw/zinc/86/62/11/470866211.db2.gz JRBXJLMWDYGTPE-POAQFYNOSA-N 2 2 332.488 2.417 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[C@]2(O)CCOC2)C[N@H+]1Cc1ccccc1 ZINC000647246561 470866214 /nfs/dbraw/zinc/86/62/14/470866214.db2.gz JRBXJLMWDYGTPE-POAQFYNOSA-N 2 2 332.488 2.417 10 0 EEAELP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000648073111 471076265 /nfs/dbraw/zinc/07/62/65/471076265.db2.gz BXBNUNDFKWECNF-HNNXBMFYSA-N 2 2 329.366 2.323 10 0 EEAELP CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000648073111 471076267 /nfs/dbraw/zinc/07/62/67/471076267.db2.gz BXBNUNDFKWECNF-HNNXBMFYSA-N 2 2 329.366 2.323 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648161992 471105508 /nfs/dbraw/zinc/10/55/08/471105508.db2.gz CAAUXEABOOXYIG-BZUAXINKSA-N 2 2 339.842 2.483 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648161992 471105514 /nfs/dbraw/zinc/10/55/14/471105514.db2.gz CAAUXEABOOXYIG-BZUAXINKSA-N 2 2 339.842 2.483 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657345877 471107621 /nfs/dbraw/zinc/10/76/21/471107621.db2.gz SROGUJVIYPJAKS-IEBWSBKVSA-N 2 2 334.460 2.055 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657345877 471107629 /nfs/dbraw/zinc/10/76/29/471107629.db2.gz SROGUJVIYPJAKS-IEBWSBKVSA-N 2 2 334.460 2.055 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCC3(F)F)C2)CC1 ZINC000648316157 471162733 /nfs/dbraw/zinc/16/27/33/471162733.db2.gz JCQJBAJWLFKRDE-DZGCQCFKSA-N 2 2 329.435 2.097 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H]3CCCCC3(F)F)C2)CC1 ZINC000648316157 471162738 /nfs/dbraw/zinc/16/27/38/471162738.db2.gz JCQJBAJWLFKRDE-DZGCQCFKSA-N 2 2 329.435 2.097 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CC4CCC3CC4)C2)CC1 ZINC000645234452 471186297 /nfs/dbraw/zinc/18/62/97/471186297.db2.gz SIOQQBCONOPZDG-HIEASXQVSA-N 2 2 348.535 2.280 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CC4CCC3CC4)C2)CC1 ZINC000645234452 471186303 /nfs/dbraw/zinc/18/63/03/471186303.db2.gz SIOQQBCONOPZDG-HIEASXQVSA-N 2 2 348.535 2.280 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000657801217 471235462 /nfs/dbraw/zinc/23/54/62/471235462.db2.gz OYWABQMPEAIVKB-VQTJNVASSA-N 2 2 343.515 2.494 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000657801217 471235464 /nfs/dbraw/zinc/23/54/64/471235464.db2.gz OYWABQMPEAIVKB-VQTJNVASSA-N 2 2 343.515 2.494 10 0 EEAELP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357800 471278502 /nfs/dbraw/zinc/27/85/02/471278502.db2.gz BUPFDWDAPVDFDS-GUDVDZBRSA-N 2 2 347.503 2.186 10 0 EEAELP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](CC(C)C)c2ccccc2)C[C@H]1C[NH3+] ZINC000652357800 471278503 /nfs/dbraw/zinc/27/85/03/471278503.db2.gz BUPFDWDAPVDFDS-GUDVDZBRSA-N 2 2 347.503 2.186 10 0 EEAELP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341923 471290404 /nfs/dbraw/zinc/29/04/04/471290404.db2.gz KPRUNRRUHVXTCO-VQIMIIECSA-N 2 2 341.503 2.195 10 0 EEAELP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341923 471290405 /nfs/dbraw/zinc/29/04/05/471290405.db2.gz KPRUNRRUHVXTCO-VQIMIIECSA-N 2 2 341.503 2.195 10 0 EEAELP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341958 471290585 /nfs/dbraw/zinc/29/05/85/471290585.db2.gz LDYHZWRPJRDNHZ-APWZRJJASA-N 2 2 339.487 2.252 10 0 EEAELP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341958 471290588 /nfs/dbraw/zinc/29/05/88/471290588.db2.gz LDYHZWRPJRDNHZ-APWZRJJASA-N 2 2 339.487 2.252 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CCOCC1 ZINC000658345066 471291249 /nfs/dbraw/zinc/29/12/49/471291249.db2.gz YLZSXFKYIFAEOH-PXNSSMCTSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CCOCC1 ZINC000658345066 471291251 /nfs/dbraw/zinc/29/12/51/471291251.db2.gz YLZSXFKYIFAEOH-PXNSSMCTSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655468642 471340233 /nfs/dbraw/zinc/34/02/33/471340233.db2.gz ZQCHLUZELLEQGR-MOXGXCLJSA-N 2 2 345.462 2.421 10 0 EEAELP CO[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCOC1 ZINC000660481438 471360546 /nfs/dbraw/zinc/36/05/46/471360546.db2.gz NVSYZGYDVZCTHC-JFIYKMOQSA-N 2 2 333.476 2.450 10 0 EEAELP CO[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)[C@@H]1CCOC1 ZINC000660481438 471360550 /nfs/dbraw/zinc/36/05/50/471360550.db2.gz NVSYZGYDVZCTHC-JFIYKMOQSA-N 2 2 333.476 2.450 10 0 EEAELP COc1cc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)c(C2CC2)cc1Cl ZINC000655529680 471367652 /nfs/dbraw/zinc/36/76/52/471367652.db2.gz WTOWEAGOJMKLFU-CYBMUJFWSA-N 2 2 325.840 2.444 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NC34CCC(CC3)CC4)C2)CC1 ZINC000655551858 471378858 /nfs/dbraw/zinc/37/88/58/471378858.db2.gz GAXBHBSHNUMFHU-WUJZJPHMSA-N 2 2 334.508 2.177 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NC34CCC(CC3)CC4)C2)CC1 ZINC000655551858 471378862 /nfs/dbraw/zinc/37/88/62/471378862.db2.gz GAXBHBSHNUMFHU-WUJZJPHMSA-N 2 2 334.508 2.177 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H](C[NH3+])C2)c(C)c1 ZINC000669540659 471541677 /nfs/dbraw/zinc/54/16/77/471541677.db2.gz ZTWUKVZBPKWTBZ-SJLPKXTDSA-N 2 2 341.459 2.231 10 0 EEAELP CCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@H+](CC)C1 ZINC000663958022 471590052 /nfs/dbraw/zinc/59/00/52/471590052.db2.gz AMNPQORPBWDFKD-LBPRGKRZSA-N 2 2 347.385 2.071 10 0 EEAELP CCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@H]1CC[N@@H+](CC)C1 ZINC000663958022 471590056 /nfs/dbraw/zinc/59/00/56/471590056.db2.gz AMNPQORPBWDFKD-LBPRGKRZSA-N 2 2 347.385 2.071 10 0 EEAELP C[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210797 471634571 /nfs/dbraw/zinc/63/45/71/471634571.db2.gz JEKKOSVLYWZCQZ-OAGGEKHMSA-N 2 2 333.480 2.377 10 0 EEAELP C[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656210797 471634585 /nfs/dbraw/zinc/63/45/85/471634585.db2.gz JEKKOSVLYWZCQZ-OAGGEKHMSA-N 2 2 333.480 2.377 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000667141279 471669005 /nfs/dbraw/zinc/66/90/05/471669005.db2.gz WUCYDNGTXCJIEJ-HNNXBMFYSA-N 2 2 342.434 2.176 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](c1ccccc1)C(F)F ZINC000667141279 471669009 /nfs/dbraw/zinc/66/90/09/471669009.db2.gz WUCYDNGTXCJIEJ-HNNXBMFYSA-N 2 2 342.434 2.176 10 0 EEAELP COC1CC(CC[NH2+]C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000656702071 471812412 /nfs/dbraw/zinc/81/24/12/471812412.db2.gz KEWULBVWHPQCSI-AQFXKWCLSA-N 2 2 331.460 2.419 10 0 EEAELP COc1ccc([C@@H](CO)[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667639470 471853437 /nfs/dbraw/zinc/85/34/37/471853437.db2.gz XLJSJOTZVUJZOZ-LJQANCHMSA-N 2 2 338.411 2.441 10 0 EEAELP COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667639470 471853442 /nfs/dbraw/zinc/85/34/42/471853442.db2.gz XLJSJOTZVUJZOZ-LJQANCHMSA-N 2 2 338.411 2.441 10 0 EEAELP C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662097777 471984129 /nfs/dbraw/zinc/98/41/29/471984129.db2.gz SGCRSNYOAFOPJF-ZBFHGGJFSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662097777 471984135 /nfs/dbraw/zinc/98/41/35/471984135.db2.gz SGCRSNYOAFOPJF-ZBFHGGJFSA-N 2 2 327.432 2.055 10 0 EEAELP COc1cc(C[N@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)ccc1OC(F)F ZINC000662249685 472041859 /nfs/dbraw/zinc/04/18/59/472041859.db2.gz XNMYWBRHISFZGH-AWEZNQCLSA-N 2 2 342.386 2.249 10 0 EEAELP COc1cc(C[N@@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)ccc1OC(F)F ZINC000662249685 472041861 /nfs/dbraw/zinc/04/18/61/472041861.db2.gz XNMYWBRHISFZGH-AWEZNQCLSA-N 2 2 342.386 2.249 10 0 EEAELP O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668240666 472055276 /nfs/dbraw/zinc/05/52/76/472055276.db2.gz ONOJSOIOGXJZNR-INIZCTEOSA-N 2 2 339.443 2.244 10 0 EEAELP O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668240666 472055284 /nfs/dbraw/zinc/05/52/84/472055284.db2.gz ONOJSOIOGXJZNR-INIZCTEOSA-N 2 2 339.443 2.244 10 0 EEAELP CCN(C(=O)[C@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662318536 472067732 /nfs/dbraw/zinc/06/77/32/472067732.db2.gz BBVCNGATSGXXHF-PKOBYXMFSA-N 2 2 347.503 2.471 10 0 EEAELP CCN(C(=O)[C@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662318536 472067736 /nfs/dbraw/zinc/06/77/36/472067736.db2.gz BBVCNGATSGXXHF-PKOBYXMFSA-N 2 2 347.503 2.471 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319906 472068696 /nfs/dbraw/zinc/06/86/96/472068696.db2.gz QDXVCYSDOPBKKB-IEBWSBKVSA-N 2 2 347.503 2.076 10 0 EEAELP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319906 472068702 /nfs/dbraw/zinc/06/87/02/472068702.db2.gz QDXVCYSDOPBKKB-IEBWSBKVSA-N 2 2 347.503 2.076 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662673630 472198856 /nfs/dbraw/zinc/19/88/56/472198856.db2.gz OTOYFFMAVCXTEJ-ZDUSSCGKSA-N 2 2 346.740 2.146 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3[NH2+]CCC3(C)C)CC2)s1 ZINC000662714052 472218384 /nfs/dbraw/zinc/21/83/84/472218384.db2.gz VETKMWBUVNAOSL-MRXNPFEDSA-N 2 2 335.517 2.343 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662798365 472256273 /nfs/dbraw/zinc/25/62/73/472256273.db2.gz PYBKHCRVVZOIFQ-CZUORRHYSA-N 2 2 341.377 2.237 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662798365 472256276 /nfs/dbraw/zinc/25/62/76/472256276.db2.gz PYBKHCRVVZOIFQ-CZUORRHYSA-N 2 2 341.377 2.237 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000668800095 472275555 /nfs/dbraw/zinc/27/55/55/472275555.db2.gz HZNYJJPVRPQFOE-UHFFFAOYSA-N 2 2 345.357 2.121 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000668800095 472275557 /nfs/dbraw/zinc/27/55/57/472275557.db2.gz HZNYJJPVRPQFOE-UHFFFAOYSA-N 2 2 345.357 2.121 10 0 EEAELP O=C(NCC[NH+]1Cc2ccccc2C1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864652 485558775 /nfs/dbraw/zinc/55/87/75/485558775.db2.gz PIFPRNJIJAEAPG-UHFFFAOYSA-N 2 2 348.410 2.405 10 0 EEAELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000660656595 485591465 /nfs/dbraw/zinc/59/14/65/485591465.db2.gz NDWUAOQYMSMTGQ-WYGOJCFESA-N 2 2 345.531 2.489 10 0 EEAELP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000660656595 485591482 /nfs/dbraw/zinc/59/14/82/485591482.db2.gz NDWUAOQYMSMTGQ-WYGOJCFESA-N 2 2 345.531 2.489 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000660656595 485591486 /nfs/dbraw/zinc/59/14/86/485591486.db2.gz NDWUAOQYMSMTGQ-WYGOJCFESA-N 2 2 345.531 2.489 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000660656595 485591495 /nfs/dbraw/zinc/59/14/95/485591495.db2.gz NDWUAOQYMSMTGQ-WYGOJCFESA-N 2 2 345.531 2.489 10 0 EEAELP Cc1ncc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000679993383 485864955 /nfs/dbraw/zinc/86/49/55/485864955.db2.gz DPQGVUGHMHTCGQ-WCQYABFASA-N 2 2 333.461 2.027 10 0 EEAELP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cnn(CCF)c3)[nH+]c2)C1 ZINC000905412261 592524308 /nfs/dbraw/zinc/52/43/08/592524308.db2.gz TWDHFICKRSDHFK-INIZCTEOSA-N 2 2 332.427 2.000 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000924900518 681340095 /nfs/dbraw/zinc/34/00/95/681340095.db2.gz CNTKGSNTXTYLOA-SJORKVTESA-N 2 2 337.508 2.011 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000924900518 681340097 /nfs/dbraw/zinc/34/00/97/681340097.db2.gz CNTKGSNTXTYLOA-SJORKVTESA-N 2 2 337.508 2.011 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H](C[NH2+]CCc2ccccc2F)C1 ZINC001485704741 1191898825 /nfs/dbraw/zinc/89/88/25/1191898825.db2.gz ZUCNHCCVLLFVSY-KOMQPUFPSA-N 2 2 344.434 2.127 10 0 EEAELP CN(CC[NH2+]Cc1csc(C(C)(C)C)n1)C(=O)CCn1cc[nH+]c1 ZINC001266794572 1177439990 /nfs/dbraw/zinc/43/99/90/1177439990.db2.gz UKUQKSGBOZZMSG-UHFFFAOYSA-N 2 2 349.504 2.275 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001691103334 1177579979 /nfs/dbraw/zinc/57/99/79/1177579979.db2.gz DRIVZVMBFHLFBH-ZACQAIPSSA-N 2 2 332.492 2.366 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001691120234 1177611961 /nfs/dbraw/zinc/61/19/61/1177611961.db2.gz MVPWADLDMQLSPZ-SDDRHHMPSA-N 2 2 345.274 2.021 10 0 EEAELP COc1cccc(C[NH2+]CCN(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)c1 ZINC001691359650 1177963442 /nfs/dbraw/zinc/96/34/42/1177963442.db2.gz AJBKMKYLTTYMEO-UHFFFAOYSA-N 2 2 344.459 2.183 10 0 EEAELP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001691360949 1177965196 /nfs/dbraw/zinc/96/51/96/1177965196.db2.gz SBMYYAPTAQSMDR-IKGGRYGDSA-N 2 2 332.492 2.462 10 0 EEAELP CCc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001691369762 1177975116 /nfs/dbraw/zinc/97/51/16/1177975116.db2.gz UUYXVCYTWRRTPW-SFHVURJKSA-N 2 2 340.471 2.256 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001266987944 1178043557 /nfs/dbraw/zinc/04/35/57/1178043557.db2.gz AXMGAJSLVDTUIH-UHFFFAOYSA-N 2 2 328.460 2.368 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)sc1C ZINC001266988351 1178044808 /nfs/dbraw/zinc/04/48/08/1178044808.db2.gz JBJRULGJPYHADO-UHFFFAOYSA-N 2 2 335.477 2.009 10 0 EEAELP C[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267204900 1178493183 /nfs/dbraw/zinc/49/31/83/1178493183.db2.gz PIKAROZWJXFDTG-CYBMUJFWSA-N 2 2 346.397 2.226 10 0 EEAELP C[N@@H+](CCCCC(F)(F)F)CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267204900 1178493189 /nfs/dbraw/zinc/49/31/89/1178493189.db2.gz PIKAROZWJXFDTG-CYBMUJFWSA-N 2 2 346.397 2.226 10 0 EEAELP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001481053296 1179635805 /nfs/dbraw/zinc/63/58/05/1179635805.db2.gz GECZXWNFDRKLRJ-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001481053296 1179635806 /nfs/dbraw/zinc/63/58/06/1179635806.db2.gz GECZXWNFDRKLRJ-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC001481073242 1179677797 /nfs/dbraw/zinc/67/77/97/1179677797.db2.gz IPXAISRSRVIYLK-INIZCTEOSA-N 2 2 332.835 2.317 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001481073242 1179677803 /nfs/dbraw/zinc/67/78/03/1179677803.db2.gz IPXAISRSRVIYLK-INIZCTEOSA-N 2 2 332.835 2.317 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001481104318 1179747731 /nfs/dbraw/zinc/74/77/31/1179747731.db2.gz VVIXFGBSNPQORN-MRXNPFEDSA-N 2 2 344.503 2.371 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001481104318 1179747738 /nfs/dbraw/zinc/74/77/38/1179747738.db2.gz VVIXFGBSNPQORN-MRXNPFEDSA-N 2 2 344.503 2.371 10 0 EEAELP CN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001481281171 1180781973 /nfs/dbraw/zinc/78/19/73/1180781973.db2.gz CLSRJMNEDGGSMR-HUUCEWRRSA-N 2 2 348.397 2.050 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001481383637 1181172515 /nfs/dbraw/zinc/17/25/15/1181172515.db2.gz IARSQVXZXQVHCR-YYIAUSFCSA-N 2 2 348.466 2.339 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001481383637 1181172523 /nfs/dbraw/zinc/17/25/23/1181172523.db2.gz IARSQVXZXQVHCR-YYIAUSFCSA-N 2 2 348.466 2.339 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001481412368 1181255266 /nfs/dbraw/zinc/25/52/66/1181255266.db2.gz VDTQPOZNZYVGEM-MRXNPFEDSA-N 2 2 345.447 2.001 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001481412368 1181255273 /nfs/dbraw/zinc/25/52/73/1181255273.db2.gz VDTQPOZNZYVGEM-MRXNPFEDSA-N 2 2 345.447 2.001 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481673748 1182185466 /nfs/dbraw/zinc/18/54/66/1182185466.db2.gz IOBGIDVPZUXBHU-NJAFHUGGSA-N 2 2 330.476 2.167 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001481673748 1182185479 /nfs/dbraw/zinc/18/54/79/1182185479.db2.gz IOBGIDVPZUXBHU-NJAFHUGGSA-N 2 2 330.476 2.167 10 0 EEAELP Cc1noc(C)c1C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268403926 1182510317 /nfs/dbraw/zinc/51/03/17/1182510317.db2.gz DZXDDFJOLJHMBX-STQMWFEESA-N 2 2 333.436 2.124 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001481753034 1182551864 /nfs/dbraw/zinc/55/18/64/1182551864.db2.gz NMATWUMVNBGXIP-INIZCTEOSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001481753034 1182551870 /nfs/dbraw/zinc/55/18/70/1182551870.db2.gz NMATWUMVNBGXIP-INIZCTEOSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001481753034 1182551874 /nfs/dbraw/zinc/55/18/74/1182551874.db2.gz NMATWUMVNBGXIP-INIZCTEOSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001481753034 1182551878 /nfs/dbraw/zinc/55/18/78/1182551878.db2.gz NMATWUMVNBGXIP-INIZCTEOSA-N 2 2 339.430 2.338 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CC1CC2(CCC2)C1 ZINC001482119712 1183357042 /nfs/dbraw/zinc/35/70/42/1183357042.db2.gz ZQEMXOYXJUOGSF-RDJZCZTQSA-N 2 2 344.503 2.368 10 0 EEAELP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001268798465 1183718032 /nfs/dbraw/zinc/71/80/32/1183718032.db2.gz KESODPBAYCFCRS-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001268798465 1183718037 /nfs/dbraw/zinc/71/80/37/1183718037.db2.gz KESODPBAYCFCRS-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1cccnc1C[NH2+]CCC1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001269913451 1184713002 /nfs/dbraw/zinc/71/30/02/1184713002.db2.gz LJYFRLMNICEYIP-UHFFFAOYSA-N 2 2 341.459 2.074 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001270194580 1184912802 /nfs/dbraw/zinc/91/28/02/1184912802.db2.gz UJKGXIIZACMMGV-KRWDZBQOSA-N 2 2 346.862 2.360 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482340562 1185439087 /nfs/dbraw/zinc/43/90/87/1185439087.db2.gz JMNNFIOVCILQEI-NEPJUHHUSA-N 2 2 349.504 2.298 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482340562 1185439090 /nfs/dbraw/zinc/43/90/90/1185439090.db2.gz JMNNFIOVCILQEI-NEPJUHHUSA-N 2 2 349.504 2.298 10 0 EEAELP CC(C)C[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482387232 1185585824 /nfs/dbraw/zinc/58/58/24/1185585824.db2.gz LWKLKXXJNCDMLG-HOCLYGCPSA-N 2 2 344.459 2.334 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH2+]CCOC1CCC1 ZINC001482490314 1186241957 /nfs/dbraw/zinc/24/19/57/1186241957.db2.gz BWUKOJRTMTVHCN-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP CCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001280417958 1186401451 /nfs/dbraw/zinc/40/14/51/1186401451.db2.gz JYOKBFIEENLWBC-MSOLQXFVSA-N 2 2 339.524 2.258 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)C)o1 ZINC001482537831 1186593202 /nfs/dbraw/zinc/59/32/02/1186593202.db2.gz GXRCVUFWVJVCTO-QGZVFWFLSA-N 2 2 341.415 2.404 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1 ZINC001482539118 1186597806 /nfs/dbraw/zinc/59/78/06/1186597806.db2.gz PEJBQEUDRWRFJC-MJGOQNOKSA-N 2 2 340.471 2.376 10 0 EEAELP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1c(F)cccc1F ZINC001482571156 1186908694 /nfs/dbraw/zinc/90/86/94/1186908694.db2.gz JDKRSNHTXBLYGT-INIZCTEOSA-N 2 2 336.386 2.092 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)Cc2cncc(C)c2)c[nH+]1 ZINC001482604912 1187354438 /nfs/dbraw/zinc/35/44/38/1187354438.db2.gz PYCYRESEKPXZSO-UHFFFAOYSA-N 2 2 343.475 2.220 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)Cc2cncc(C)c2)c[nH+]1 ZINC001482604912 1187354441 /nfs/dbraw/zinc/35/44/41/1187354441.db2.gz PYCYRESEKPXZSO-UHFFFAOYSA-N 2 2 343.475 2.220 10 0 EEAELP CO[C@@H](C[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001482613784 1187404452 /nfs/dbraw/zinc/40/44/52/1187404452.db2.gz LIGXQJJUMGDLPJ-KRWDZBQOSA-N 2 2 344.459 2.153 10 0 EEAELP CO[C@@H](C[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001482613784 1187404455 /nfs/dbraw/zinc/40/44/55/1187404455.db2.gz LIGXQJJUMGDLPJ-KRWDZBQOSA-N 2 2 344.459 2.153 10 0 EEAELP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001482651424 1187487737 /nfs/dbraw/zinc/48/77/37/1187487737.db2.gz CRCOIGPXTTYDTF-WMZOPIPTSA-N 2 2 347.507 2.048 10 0 EEAELP CC(C)[C@@H](C(=O)N(C)CC[N@@H+](C)[C@@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001482651424 1187487740 /nfs/dbraw/zinc/48/77/40/1187487740.db2.gz CRCOIGPXTTYDTF-WMZOPIPTSA-N 2 2 347.507 2.048 10 0 EEAELP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001483009600 1187992461 /nfs/dbraw/zinc/99/24/61/1187992461.db2.gz CJGBSDCOKCTVOB-CHYADLBTSA-N 2 2 331.464 2.018 10 0 EEAELP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483009600 1187992463 /nfs/dbraw/zinc/99/24/63/1187992463.db2.gz CJGBSDCOKCTVOB-CHYADLBTSA-N 2 2 331.464 2.018 10 0 EEAELP Cc1cccc(C)c1C[NH2+]C/C=C/CNC(=O)CCc1[nH+]ccn1C ZINC001483036626 1188061230 /nfs/dbraw/zinc/06/12/30/1188061230.db2.gz HTHUZHOKIOZXAW-SNAWJCMRSA-N 2 2 340.471 2.432 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2cccc(F)c2F)C1 ZINC001409265039 1188272222 /nfs/dbraw/zinc/27/22/22/1188272222.db2.gz NODPJEWLAAGBFC-UHFFFAOYSA-N 2 2 348.397 2.305 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]Cc2cccc(F)c2F)C1 ZINC001409265039 1188272223 /nfs/dbraw/zinc/27/22/23/1188272223.db2.gz NODPJEWLAAGBFC-UHFFFAOYSA-N 2 2 348.397 2.305 10 0 EEAELP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1)[NH+]1CCCC1 ZINC001691623268 1188322592 /nfs/dbraw/zinc/32/25/92/1188322592.db2.gz QJNWHFUMSJGYPR-GOSISDBHSA-N 2 2 348.491 2.220 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+][C@@H]1CCCc2ccccc21 ZINC001483081842 1188443491 /nfs/dbraw/zinc/44/34/91/1188443491.db2.gz GASVXZLZEUCHGN-VZSQWMKGSA-N 2 2 338.455 2.302 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001409274569 1188552996 /nfs/dbraw/zinc/55/29/96/1188552996.db2.gz FWAQFABPMRYWFH-UHFFFAOYSA-N 2 2 344.434 2.487 10 0 EEAELP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001409406015 1189633626 /nfs/dbraw/zinc/63/36/26/1189633626.db2.gz ZHQFDLPLVRNMCM-NUKGVGCFSA-N 2 2 349.262 2.152 10 0 EEAELP CN(CC(C)(C)C[NH2+]C[C@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001409441799 1189689006 /nfs/dbraw/zinc/68/90/06/1189689006.db2.gz GIPKVNXPKIJHTB-OAHLLOKOSA-N 2 2 344.459 2.059 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001485929401 1193648907 /nfs/dbraw/zinc/64/89/07/1193648907.db2.gz WPMBBGWCVOJTFQ-CHWSQXEVSA-N 2 2 335.477 2.236 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001483248416 1190276333 /nfs/dbraw/zinc/27/63/33/1190276333.db2.gz YZOZQRZUWWSCCP-STQMWFEESA-N 2 2 336.386 2.478 10 0 EEAELP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483359551 1190403099 /nfs/dbraw/zinc/40/30/99/1190403099.db2.gz XIJFTKSQGBSALK-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483359551 1190403101 /nfs/dbraw/zinc/40/31/01/1190403101.db2.gz XIJFTKSQGBSALK-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)c1csnn1 ZINC001483473421 1190494965 /nfs/dbraw/zinc/49/49/65/1190494965.db2.gz FCOQESDMABSBIP-NSHDSACASA-N 2 2 344.444 2.227 10 0 EEAELP Cc1conc1C[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001409825058 1190656757 /nfs/dbraw/zinc/65/67/57/1190656757.db2.gz IYWMAXZKQWTJLJ-WBVHZDCISA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001409825058 1190656759 /nfs/dbraw/zinc/65/67/59/1190656759.db2.gz IYWMAXZKQWTJLJ-WBVHZDCISA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001409825058 1190656761 /nfs/dbraw/zinc/65/67/61/1190656761.db2.gz IYWMAXZKQWTJLJ-WBVHZDCISA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001409825058 1190656764 /nfs/dbraw/zinc/65/67/64/1190656764.db2.gz IYWMAXZKQWTJLJ-WBVHZDCISA-N 2 2 348.491 2.186 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483653381 1190710081 /nfs/dbraw/zinc/71/00/81/1190710081.db2.gz QEKKECAGXUIWEZ-REMYHPOOSA-N 2 2 330.476 2.309 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483653381 1190710082 /nfs/dbraw/zinc/71/00/82/1190710082.db2.gz QEKKECAGXUIWEZ-REMYHPOOSA-N 2 2 330.476 2.309 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCCCCF)CC1 ZINC001279164557 1190879756 /nfs/dbraw/zinc/87/97/56/1190879756.db2.gz RGIHWRNTWGTXRQ-HNNXBMFYSA-N 2 2 338.471 2.319 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(C[NH2+]CCc2cccs2)C1 ZINC001484123634 1191223119 /nfs/dbraw/zinc/22/31/19/1191223119.db2.gz RPFOQYCHOPGADV-SFHVURJKSA-N 2 2 346.500 2.393 10 0 EEAELP C[C@@]1(C[NH2+]CC[C@@H]2CCCO2)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001484127533 1191225003 /nfs/dbraw/zinc/22/50/03/1191225003.db2.gz ANOYKMIKJIYFJK-HKUYNNGSSA-N 2 2 348.491 2.061 10 0 EEAELP COCCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001484370937 1191319406 /nfs/dbraw/zinc/31/94/06/1191319406.db2.gz HONOULMWNJBNDI-JKSUJKDBSA-N 2 2 344.459 2.059 10 0 EEAELP CC(C)CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001484924196 1191576853 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HJRICJQZQBSFEF-SUMWQHHRSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591057 1293574245 /nfs/dbraw/zinc/57/42/45/1293574245.db2.gz HJRICJQZQBSFEF-SUMWQHHRSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591057 1293574251 /nfs/dbraw/zinc/57/42/51/1293574251.db2.gz HJRICJQZQBSFEF-SUMWQHHRSA-N 2 2 345.447 2.439 10 0 EEAELP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000857849274 1293930146 /nfs/dbraw/zinc/93/01/46/1293930146.db2.gz VCOWZLVRLXYJFC-LJQANCHMSA-N 2 2 339.487 2.324 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023435 1293989349 /nfs/dbraw/zinc/98/93/49/1293989349.db2.gz MXRIJDFYHBLPIR-ZWKOTPCHSA-N 2 2 333.476 2.115 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023435 1293989352 /nfs/dbraw/zinc/98/93/52/1293989352.db2.gz MXRIJDFYHBLPIR-ZWKOTPCHSA-N 2 2 333.476 2.115 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023435 1293989355 /nfs/dbraw/zinc/98/93/55/1293989355.db2.gz MXRIJDFYHBLPIR-ZWKOTPCHSA-N 2 2 333.476 2.115 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023435 1293989357 /nfs/dbraw/zinc/98/93/57/1293989357.db2.gz MXRIJDFYHBLPIR-ZWKOTPCHSA-N 2 2 333.476 2.115 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000862452755 1295850845 /nfs/dbraw/zinc/85/08/45/1295850845.db2.gz NTYUPUXAJBALSP-DOTOQJQBSA-N 2 2 325.497 2.419 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000862452758 1295850950 /nfs/dbraw/zinc/85/09/50/1295850950.db2.gz NTYUPUXAJBALSP-WBVHZDCISA-N 2 2 325.497 2.419 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001277964740 1305347110 /nfs/dbraw/zinc/34/71/10/1305347110.db2.gz HBRCFPAUFUMWLV-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP CCc1cnc(C[N@@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001278438924 1310268190 /nfs/dbraw/zinc/26/81/90/1310268190.db2.gz YSPHOGJBUWSOOI-GOSISDBHSA-N 2 2 336.480 2.050 10 0 EEAELP CCc1cnc(C[N@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)o1 ZINC001278438924 1310268197 /nfs/dbraw/zinc/26/81/97/1310268197.db2.gz YSPHOGJBUWSOOI-GOSISDBHSA-N 2 2 336.480 2.050 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]CCCCCF)[C@@H]2C1 ZINC001278496476 1310807214 /nfs/dbraw/zinc/80/72/14/1310807214.db2.gz ZYQCQIQAJORUBP-GVDBMIGSSA-N 2 2 336.455 2.240 10 0 EEAELP CCC/C=C\CC[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001671145371 1320760736 /nfs/dbraw/zinc/76/07/36/1320760736.db2.gz WPXJESJMBNJWGS-KJPDOMRESA-N 2 2 330.476 2.335 10 0 EEAELP CCOCCC[NH2+][C@@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264120977 1322633178 /nfs/dbraw/zinc/63/31/78/1322633178.db2.gz VGQAQLKSPVMKEC-QGZVFWFLSA-N 2 2 336.480 2.061 10 0 EEAELP Cc1cnc(C[NH+]2CCC(N(C)C(=O)CCCC[NH+](C)C)CC2)o1 ZINC001265200369 1322981500 /nfs/dbraw/zinc/98/15/00/1322981500.db2.gz PYFULOVTSKKQIS-UHFFFAOYSA-N 2 2 336.480 2.138 10 0 EEAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC[NH+](CCOCC)CC1 ZINC001265339036 1323085378 /nfs/dbraw/zinc/08/53/78/1323085378.db2.gz UIBOYEGLDARUIW-IAGOWNOFSA-N 2 2 348.491 2.253 10 0 EEAELP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC[NH+](CCOCC)CC1 ZINC001265339036 1323085385 /nfs/dbraw/zinc/08/53/85/1323085385.db2.gz UIBOYEGLDARUIW-IAGOWNOFSA-N 2 2 348.491 2.253 10 0 EEAELP Cc1cnc(C[N@H+]2CCCC[C@@H]2CNC(=O)CCCC[NH+](C)C)o1 ZINC001265655217 1323300319 /nfs/dbraw/zinc/30/03/19/1323300319.db2.gz CJZMCPSFVXRUNJ-MRXNPFEDSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1cnc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCCC[NH+](C)C)o1 ZINC001265655217 1323300323 /nfs/dbraw/zinc/30/03/23/1323300323.db2.gz CJZMCPSFVXRUNJ-MRXNPFEDSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)o1 ZINC001265862977 1323436179 /nfs/dbraw/zinc/43/61/79/1323436179.db2.gz OLBQMIFEWJKYCS-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)o1 ZINC001265862977 1323436185 /nfs/dbraw/zinc/43/61/85/1323436185.db2.gz OLBQMIFEWJKYCS-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)o1 ZINC001265862977 1323436193 /nfs/dbraw/zinc/43/61/93/1323436193.db2.gz OLBQMIFEWJKYCS-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cnc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001265862977 1323436198 /nfs/dbraw/zinc/43/61/98/1323436198.db2.gz OLBQMIFEWJKYCS-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001265949536 1323511887 /nfs/dbraw/zinc/51/18/87/1323511887.db2.gz RTOBGHRRYUEKBC-SFHVURJKSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)co1 ZINC001265978207 1323538276 /nfs/dbraw/zinc/53/82/76/1323538276.db2.gz FMUAWDVPHDSRLE-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)co1 ZINC001265978207 1323538282 /nfs/dbraw/zinc/53/82/82/1323538282.db2.gz FMUAWDVPHDSRLE-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP CC[N@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1conc1C ZINC001266053874 1323604165 /nfs/dbraw/zinc/60/41/65/1323604165.db2.gz ATKKDHDBKAQLLZ-UHFFFAOYSA-N 2 2 347.463 2.251 10 0 EEAELP CC[N@@H+](CCCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1conc1C ZINC001266053874 1323604171 /nfs/dbraw/zinc/60/41/71/1323604171.db2.gz ATKKDHDBKAQLLZ-UHFFFAOYSA-N 2 2 347.463 2.251 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]CCc2ccccc2)C1 ZINC001280207824 1324115138 /nfs/dbraw/zinc/11/51/38/1324115138.db2.gz ORISYESTWLINPM-KRWDZBQOSA-N 2 2 326.444 2.023 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C ZINC001281476350 1325147653 /nfs/dbraw/zinc/14/76/53/1325147653.db2.gz RKWYTNOSYJYANJ-MJGOQNOKSA-N 2 2 340.471 2.261 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H]3CC[C@H](C[NH2+]CCCF)C3)[nH+]c12 ZINC001284222338 1326465518 /nfs/dbraw/zinc/46/55/18/1326465518.db2.gz BHBGCCQZEDQTKB-HOTGVXAUSA-N 2 2 346.450 2.419 10 0 EEAELP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001284774582 1326707780 /nfs/dbraw/zinc/70/77/80/1326707780.db2.gz XDZRBKGKCBNUMS-LPNDQTJOSA-N 2 2 330.476 2.381 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491597166 1330179096 /nfs/dbraw/zinc/17/90/96/1330179096.db2.gz YBRIHODWDZRUJZ-KBPBESRZSA-N 2 2 348.422 2.276 10 0 EEAELP CO[C@H](C[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001491967527 1330363638 /nfs/dbraw/zinc/36/36/38/1330363638.db2.gz QNYWOFRKSFHYTI-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@H](C[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1)C1CCCC1 ZINC001491967527 1330363643 /nfs/dbraw/zinc/36/36/43/1330363643.db2.gz QNYWOFRKSFHYTI-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP C[N@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCC1CCCCC1 ZINC001492309022 1331146511 /nfs/dbraw/zinc/14/65/11/1331146511.db2.gz KYRPBCAIFLAHBN-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CCC1CCCCC1 ZINC001492309022 1331146514 /nfs/dbraw/zinc/14/65/14/1331146514.db2.gz 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ZINC001316856225 1331937997 /nfs/dbraw/zinc/93/79/97/1331937997.db2.gz CEINMBJWIANSOS-UHFFFAOYSA-N 2 2 328.460 2.423 10 0 EEAELP CC(C)COCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317114495 1332085234 /nfs/dbraw/zinc/08/52/34/1332085234.db2.gz DMBZXLIRVRHVFC-GASCZTMLSA-N 2 2 330.432 2.086 10 0 EEAELP O=C(NCCC[C@H]1CCC[N@H+]1CCCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317427112 1332230621 /nfs/dbraw/zinc/23/06/21/1332230621.db2.gz JXJGWLBXYGHJLZ-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NCCC[C@H]1CCC[N@@H+]1CCCF)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317427112 1332230623 /nfs/dbraw/zinc/23/06/23/1332230623.db2.gz JXJGWLBXYGHJLZ-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@@H]1C[C@H](C[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001317600692 1332319729 /nfs/dbraw/zinc/31/97/29/1332319729.db2.gz OTVJQXQDFWJYMC-ZIAGYGMSSA-N 2 2 330.432 2.040 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317789660 1332410692 /nfs/dbraw/zinc/41/06/92/1332410692.db2.gz PXQCAGHXRXXUKH-OAHLLOKOSA-N 2 2 344.459 2.431 10 0 EEAELP COCCCC[N@H+]1CC[C@@H](CCNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001317789660 1332410694 /nfs/dbraw/zinc/41/06/94/1332410694.db2.gz PXQCAGHXRXXUKH-OAHLLOKOSA-N 2 2 344.459 2.431 10 0 EEAELP C[NH+](C)CCCCC(=O)NC1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001318079726 1332468876 /nfs/dbraw/zinc/46/88/76/1332468876.db2.gz JBNLFVQBZKCQTA-GFCCVEGCSA-N 2 2 336.307 2.103 10 0 EEAELP C[C@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001319486264 1332710290 /nfs/dbraw/zinc/71/02/90/1332710290.db2.gz MMWLIMCTASBXCQ-NEPJUHHUSA-N 2 2 345.274 2.201 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCCF)[C@H](C)C3)ccn12 ZINC001319684427 1332741456 /nfs/dbraw/zinc/74/14/56/1332741456.db2.gz VCMCMPAMCFVPGY-CJNGLKHVSA-N 2 2 332.423 2.443 10 0 EEAELP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320779085 1332951186 /nfs/dbraw/zinc/95/11/86/1332951186.db2.gz GFQPEMANKYVOBT-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001321559452 1333124309 /nfs/dbraw/zinc/12/43/09/1333124309.db2.gz FAUGTPBUPRZGOE-WBVHZDCISA-N 2 2 330.476 2.430 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH+]c[nH]1 ZINC001322711225 1333311789 /nfs/dbraw/zinc/31/17/89/1333311789.db2.gz RJTACDRZRXUARP-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1C[NH2+]CCC(C)(C)C ZINC001325542427 1333907226 /nfs/dbraw/zinc/90/72/26/1333907226.db2.gz JMAMTKBCXIYWAH-CVEARBPZSA-N 2 2 334.508 2.473 10 0 EEAELP O=C(NC1CC(C[NH2+]CC[C@H]2CCCO2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001328875484 1334539014 /nfs/dbraw/zinc/53/90/14/1334539014.db2.gz HKUOYFFSYFLHQR-AVVWSFFYSA-N 2 2 342.443 2.230 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001332027749 1335708873 /nfs/dbraw/zinc/70/88/73/1335708873.db2.gz NBKAJISNKRGMKY-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP CCc1ccccc1C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001436333456 1342037446 /nfs/dbraw/zinc/03/74/46/1342037446.db2.gz NJRINVHMKJYART-SFHVURJKSA-N 2 2 326.444 2.178 10 0 EEAELP CCc1ccccc1C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001436333456 1342037451 /nfs/dbraw/zinc/03/74/51/1342037451.db2.gz NJRINVHMKJYART-SFHVURJKSA-N 2 2 326.444 2.178 10 0 EEAELP CN(CCC[NH2+]CCc1cccs1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001670250327 1356304374 /nfs/dbraw/zinc/30/43/74/1356304374.db2.gz VZEGKVBMDHCYGE-HZPDHXFCSA-N 2 2 346.500 2.266 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCOC(C)C)C1 ZINC001567177281 1342705481 /nfs/dbraw/zinc/70/54/81/1342705481.db2.gz SZVVOQRLDYDNIO-CVEARBPZSA-N 2 2 336.480 2.093 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001567519908 1342776914 /nfs/dbraw/zinc/77/69/14/1342776914.db2.gz DSCLCADMQAJXHR-MTIYJEKLSA-N 2 2 338.455 2.207 10 0 EEAELP Cc1ncccc1C[NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001567539334 1342782084 /nfs/dbraw/zinc/78/20/84/1342782084.db2.gz XFZAKNJQPWQKKE-UHFFFAOYSA-N 2 2 349.438 2.438 10 0 EEAELP O=C(NCC1([NH2+]CCCC2CCC2)CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001569406406 1342865531 /nfs/dbraw/zinc/86/55/31/1342865531.db2.gz JPJPGAVJPXHPST-INIZCTEOSA-N 2 2 330.476 2.264 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C)cc1 ZINC001569856211 1342959219 /nfs/dbraw/zinc/95/92/19/1342959219.db2.gz SJBYPFQUFLMALV-PKOBYXMFSA-N 2 2 340.471 2.118 10 0 EEAELP C[C@H](F)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001570676696 1343101182 /nfs/dbraw/zinc/10/11/82/1343101182.db2.gz FCTLINBZQYMENP-LSDHHAIUSA-N 2 2 338.471 2.268 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCCO2)C1)c1cccc2[nH+]ccn21 ZINC001571136238 1343164139 /nfs/dbraw/zinc/16/41/39/1343164139.db2.gz CUGWRFCCNMNEIS-JYJNAYRXSA-N 2 2 342.443 2.001 10 0 EEAELP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001676472884 1357154792 /nfs/dbraw/zinc/15/47/92/1357154792.db2.gz DPXDDTFKBSDEKG-CYBMUJFWSA-N 2 2 349.866 2.038 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001676945918 1357247354 /nfs/dbraw/zinc/24/73/54/1357247354.db2.gz RCLYMLTYTOVTLO-MOPGFXCFSA-N 2 2 340.471 2.390 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCc1ccc(C[NH2+]C/C=C/Cl)cc1F ZINC001677648462 1357383589 /nfs/dbraw/zinc/38/35/89/1357383589.db2.gz QSJXQYLZTMDTGN-DAFODLJHSA-N 2 2 336.798 2.250 10 0 EEAELP CCOC(=O)C1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001652757264 1354102285 /nfs/dbraw/zinc/10/22/85/1354102285.db2.gz JIWCVTIEJVOJAH-UHFFFAOYSA-N 2 2 339.524 2.258 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001656077569 1354196043 /nfs/dbraw/zinc/19/60/43/1354196043.db2.gz JQTVWVIXQFWWCN-ZFTGLFDFSA-N 2 2 330.476 2.335 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001656077569 1354196047 /nfs/dbraw/zinc/19/60/47/1354196047.db2.gz JQTVWVIXQFWWCN-ZFTGLFDFSA-N 2 2 330.476 2.335 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001656136598 1354206848 /nfs/dbraw/zinc/20/68/48/1354206848.db2.gz BRAXCOOMMBTVGW-JNSHFYNHSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001656136598 1354206851 /nfs/dbraw/zinc/20/68/51/1354206851.db2.gz BRAXCOOMMBTVGW-JNSHFYNHSA-N 2 2 347.850 2.075 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H]1CCc2c1c(F)ccc2F ZINC001660416007 1354461150 /nfs/dbraw/zinc/46/11/50/1354461150.db2.gz BRUWZMHKDWNUAJ-INIZCTEOSA-N 2 2 348.397 2.287 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@H]1CCc2c1c(F)ccc2F ZINC001660416007 1354461153 /nfs/dbraw/zinc/46/11/53/1354461153.db2.gz BRUWZMHKDWNUAJ-INIZCTEOSA-N 2 2 348.397 2.287 10 0 EEAELP CCOCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001661921447 1354722911 /nfs/dbraw/zinc/72/29/11/1354722911.db2.gz ATMOBXKBGZVMSP-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CCC1CSC1 ZINC001665937134 1355412359 /nfs/dbraw/zinc/41/23/59/1355412359.db2.gz MPMXUZSRSPAVNC-UHFFFAOYSA-N 2 2 336.501 2.240 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001666655964 1355560391 /nfs/dbraw/zinc/56/03/91/1355560391.db2.gz GABYMYMQLUTBAY-CMPLNLGQSA-N 2 2 347.290 2.186 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCCc1cccc(F)c1 ZINC001671390322 1356334404 /nfs/dbraw/zinc/33/44/04/1356334404.db2.gz PNHXGXUUHMZVNH-SFHVURJKSA-N 2 2 344.434 2.236 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001673886965 1356754812 /nfs/dbraw/zinc/75/48/12/1356754812.db2.gz YCACDMUSAQMUPZ-HOTGVXAUSA-N 2 2 344.459 2.200 10 0 EEAELP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001675635260 1357022626 /nfs/dbraw/zinc/02/26/26/1357022626.db2.gz MQSGVFWORKEHPW-BZSNNMDCSA-N 2 2 330.476 2.456 10 0 EEAELP CC(C)=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001675635260 1357022628 /nfs/dbraw/zinc/02/26/28/1357022628.db2.gz MQSGVFWORKEHPW-BZSNNMDCSA-N 2 2 330.476 2.456 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](CNC(=O)c2cccc3[nH+]ccn32)C(C)C)o1 ZINC001698968166 1405191853 /nfs/dbraw/zinc/19/18/53/1405191853.db2.gz RVRRCSOQYPMGJW-HNNXBMFYSA-N 2 2 341.415 2.175 10 0 EEAELP C[C@@H](CC[NH2+]CCC(F)(F)F)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001699102268 1405255448 /nfs/dbraw/zinc/25/54/48/1405255448.db2.gz JCFUVONPHXFTRX-LBPRGKRZSA-N 2 2 346.397 2.199 10 0 EEAELP COc1cccc(C(=O)NCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924835420 787193573 /nfs/dbraw/zinc/19/35/73/787193573.db2.gz KCYHBJCOIKVRBG-ROUUACIJSA-N 2 2 331.460 2.032 10 0 EEAELP COc1cccc(C(=O)NCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924835420 787193582 /nfs/dbraw/zinc/19/35/82/787193582.db2.gz KCYHBJCOIKVRBG-ROUUACIJSA-N 2 2 331.460 2.032 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cn(C)nn1 ZINC000715861860 795543300 /nfs/dbraw/zinc/54/33/00/795543300.db2.gz TWWATEPZPBFURU-XOYOTBSWSA-N 2 2 325.460 2.376 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cn(C)nn1 ZINC000715861860 795543307 /nfs/dbraw/zinc/54/33/07/795543307.db2.gz TWWATEPZPBFURU-XOYOTBSWSA-N 2 2 325.460 2.376 10 0 EEAELP COc1ccc2c(C[N@@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)cc(=O)oc2c1 ZINC001176630000 798509723 /nfs/dbraw/zinc/50/97/23/798509723.db2.gz XCTXFQQKHKTZBA-KUHUBIRLSA-N 2 2 328.412 2.185 10 0 EEAELP COc1ccc2c(C[N@H+]3C[C@H]4C[NH+](C)C[C@@]4(C)C3)cc(=O)oc2c1 ZINC001176630000 798509726 /nfs/dbraw/zinc/50/97/26/798509726.db2.gz XCTXFQQKHKTZBA-KUHUBIRLSA-N 2 2 328.412 2.185 10 0 EEAELP COc1ccc2c(C[NH+]3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)cc(=O)oc2c1 ZINC001176630000 798509731 /nfs/dbraw/zinc/50/97/31/798509731.db2.gz XCTXFQQKHKTZBA-KUHUBIRLSA-N 2 2 328.412 2.185 10 0 EEAELP COc1ccc2c(C[NH+]3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)cc(=O)oc2c1 ZINC001176630000 798509735 /nfs/dbraw/zinc/50/97/35/798509735.db2.gz XCTXFQQKHKTZBA-KUHUBIRLSA-N 2 2 328.412 2.185 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001566050380 1125527091 /nfs/dbraw/zinc/52/70/91/1125527091.db2.gz OHRBGMPLUVGKIB-KSZLIROESA-N 2 2 348.491 2.041 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)n3cc[nH+]c3)C[C@@H]2C1 ZINC001566050380 1125527100 /nfs/dbraw/zinc/52/71/00/1125527100.db2.gz OHRBGMPLUVGKIB-KSZLIROESA-N 2 2 348.491 2.041 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCCC[N@@H+](C)Cc1c(F)cccc1F ZINC001566516514 1125687158 /nfs/dbraw/zinc/68/71/58/1125687158.db2.gz OCUVRPYNNJOQOA-UHFFFAOYSA-N 2 2 336.386 2.108 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCCC[N@H+](C)Cc1c(F)cccc1F ZINC001566516514 1125687163 /nfs/dbraw/zinc/68/71/63/1125687163.db2.gz OCUVRPYNNJOQOA-UHFFFAOYSA-N 2 2 336.386 2.108 10 0 EEAELP O=C(NCCC[N@H+](CCC1CC1)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001566590290 1125780270 /nfs/dbraw/zinc/78/02/70/1125780270.db2.gz MZGRUNUOPHVDQY-MRXNPFEDSA-N 2 2 330.476 2.216 10 0 EEAELP O=C(NCCC[N@@H+](CCC1CC1)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001566590290 1125780276 /nfs/dbraw/zinc/78/02/76/1125780276.db2.gz MZGRUNUOPHVDQY-MRXNPFEDSA-N 2 2 330.476 2.216 10 0 EEAELP Cc1cc(C[N@H+](CCCNC(=O)Cn2c[nH+]cc2C)C2CC2)sn1 ZINC001566592161 1125781705 /nfs/dbraw/zinc/78/17/05/1125781705.db2.gz MDTSBNDMTQOHHG-UHFFFAOYSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1cc(C[N@@H+](CCCNC(=O)Cn2c[nH+]cc2C)C2CC2)sn1 ZINC001566592161 1125781711 /nfs/dbraw/zinc/78/17/11/1125781711.db2.gz MDTSBNDMTQOHHG-UHFFFAOYSA-N 2 2 347.488 2.127 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)c1cccc(F)c1 ZINC001436406665 1087755864 /nfs/dbraw/zinc/75/58/64/1087755864.db2.gz UNEPKRGECRMFCY-ZQIUZPCESA-N 2 2 330.407 2.268 10 0 EEAELP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2nocc2C)CC1 ZINC001436757865 1088262256 /nfs/dbraw/zinc/26/22/56/1088262256.db2.gz FSUGEIQAYMPCSD-GOSISDBHSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2nocc2C)CC1 ZINC001436757865 1088262274 /nfs/dbraw/zinc/26/22/74/1088262274.db2.gz FSUGEIQAYMPCSD-GOSISDBHSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001436895251 1088545947 /nfs/dbraw/zinc/54/59/47/1088545947.db2.gz NCMHWWNWMZEKGY-WKILWMFISA-N 2 2 330.407 2.227 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001436895251 1088545957 /nfs/dbraw/zinc/54/59/57/1088545957.db2.gz NCMHWWNWMZEKGY-WKILWMFISA-N 2 2 330.407 2.227 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CNC(=O)c2sccc2C[NH+](C)C)co1 ZINC001437147508 1089145814 /nfs/dbraw/zinc/14/58/14/1089145814.db2.gz CMEQSMZVIMSCEP-NSHDSACASA-N 2 2 336.461 2.014 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1C ZINC001437160193 1089168172 /nfs/dbraw/zinc/16/81/72/1089168172.db2.gz BLKNEJRMSRNEKJ-SJLPKXTDSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]C/C=C/c1ccccc1 ZINC001437164154 1089177631 /nfs/dbraw/zinc/17/76/31/1089177631.db2.gz MGSQNFVKJVSSAF-QWYBNYMASA-N 2 2 338.455 2.253 10 0 EEAELP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC001437515303 1089921763 /nfs/dbraw/zinc/92/17/63/1089921763.db2.gz GBVPCROJQSREMD-UHFFFAOYSA-N 2 2 332.275 2.493 10 0 EEAELP C[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC001437515303 1089921775 /nfs/dbraw/zinc/92/17/75/1089921775.db2.gz GBVPCROJQSREMD-UHFFFAOYSA-N 2 2 332.275 2.493 10 0 EEAELP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1nc(C)sc1C ZINC001437654318 1090179689 /nfs/dbraw/zinc/17/96/89/1090179689.db2.gz XQLGAXCWNKOGPX-UHFFFAOYSA-N 2 2 326.510 2.038 10 0 EEAELP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1nc(C)sc1C ZINC001437654318 1090179694 /nfs/dbraw/zinc/17/96/94/1090179694.db2.gz XQLGAXCWNKOGPX-UHFFFAOYSA-N 2 2 326.510 2.038 10 0 EEAELP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)Cc1nc(C)sc1C ZINC001437654318 1090179699 /nfs/dbraw/zinc/17/96/99/1090179699.db2.gz XQLGAXCWNKOGPX-UHFFFAOYSA-N 2 2 326.510 2.038 10 0 EEAELP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)Cc1nc(C)sc1C ZINC001437654318 1090179705 /nfs/dbraw/zinc/17/97/05/1090179705.db2.gz XQLGAXCWNKOGPX-UHFFFAOYSA-N 2 2 326.510 2.038 10 0 EEAELP CCc1ccccc1C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001437956887 1090553542 /nfs/dbraw/zinc/55/35/42/1090553542.db2.gz IFNJFILSMSSORI-QGZVFWFLSA-N 2 2 340.471 2.474 10 0 EEAELP CCc1ccccc1C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2)C1 ZINC001437956887 1090553547 /nfs/dbraw/zinc/55/35/47/1090553547.db2.gz IFNJFILSMSSORI-QGZVFWFLSA-N 2 2 340.471 2.474 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001438052910 1090621275 /nfs/dbraw/zinc/62/12/75/1090621275.db2.gz KVYMDDJVWGTWKU-GOSISDBHSA-N 2 2 340.471 2.343 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001438052910 1090621277 /nfs/dbraw/zinc/62/12/77/1090621277.db2.gz KVYMDDJVWGTWKU-GOSISDBHSA-N 2 2 340.471 2.343 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001438525274 1091018107 /nfs/dbraw/zinc/01/81/07/1091018107.db2.gz RWWNUHFNRMMKQV-AWEZNQCLSA-N 2 2 347.463 2.101 10 0 EEAELP CC(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001438592572 1091082486 /nfs/dbraw/zinc/08/24/86/1091082486.db2.gz XBPOSYFWOBWIIO-RBUKOAKNSA-N 2 2 347.503 2.152 10 0 EEAELP CC(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001438592572 1091082492 /nfs/dbraw/zinc/08/24/92/1091082492.db2.gz XBPOSYFWOBWIIO-RBUKOAKNSA-N 2 2 347.503 2.152 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)co1 ZINC001438709824 1091223935 /nfs/dbraw/zinc/22/39/35/1091223935.db2.gz BXSSRRHPEBHXOL-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP C[C@@H](C[NH2+]Cc1cscn1)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001438710329 1091225788 /nfs/dbraw/zinc/22/57/88/1091225788.db2.gz DSEGIRLTEGKHCD-WMLDXEAASA-N 2 2 346.500 2.383 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@H+](C)Cc2ncccc2C)c[nH+]1 ZINC001438887192 1091530328 /nfs/dbraw/zinc/53/03/28/1091530328.db2.gz ADVZWAKLGUDYEV-UHFFFAOYSA-N 2 2 343.475 2.220 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[N@@H+](C)Cc2ncccc2C)c[nH+]1 ZINC001438887192 1091530330 /nfs/dbraw/zinc/53/03/30/1091530330.db2.gz ADVZWAKLGUDYEV-UHFFFAOYSA-N 2 2 343.475 2.220 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001438890656 1091537347 /nfs/dbraw/zinc/53/73/47/1091537347.db2.gz RDTSXTRAIAKBGF-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001438890656 1091537350 /nfs/dbraw/zinc/53/73/50/1091537350.db2.gz RDTSXTRAIAKBGF-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001438890656 1091537356 /nfs/dbraw/zinc/53/73/56/1091537356.db2.gz RDTSXTRAIAKBGF-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001438890656 1091537362 /nfs/dbraw/zinc/53/73/62/1091537362.db2.gz RDTSXTRAIAKBGF-GOEBONIOSA-N 2 2 336.505 2.050 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cnc(C)o1 ZINC001439325578 1092002700 /nfs/dbraw/zinc/00/27/00/1092002700.db2.gz KRPHCXLSCOPNHG-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnc(C)o1 ZINC001439325578 1092002710 /nfs/dbraw/zinc/00/27/10/1092002710.db2.gz KRPHCXLSCOPNHG-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001446278468 1092429111 /nfs/dbraw/zinc/42/91/11/1092429111.db2.gz JPHCOBKEQVAKOU-GOSISDBHSA-N 2 2 338.455 2.279 10 0 EEAELP CC[N@@H+]1CC[C@@H]1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001446325275 1092522195 /nfs/dbraw/zinc/52/21/95/1092522195.db2.gz ADPBYMADJVWHHI-ZWKOTPCHSA-N 2 2 331.460 2.043 10 0 EEAELP CC[N@H+]1CC[C@@H]1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC001446325275 1092522203 /nfs/dbraw/zinc/52/22/03/1092522203.db2.gz ADPBYMADJVWHHI-ZWKOTPCHSA-N 2 2 331.460 2.043 10 0 EEAELP C[C@]1(C[NH2+]Cc2ccc(F)c(F)c2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001439904446 1092969136 /nfs/dbraw/zinc/96/91/36/1092969136.db2.gz AVPMYPCGTVHYIP-GOSISDBHSA-N 2 2 348.397 2.190 10 0 EEAELP CC1CC(C[N@@H+]2C[C@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)C2)C1 ZINC001448387831 1093378102 /nfs/dbraw/zinc/37/81/02/1093378102.db2.gz TYMRJULWHXEGES-GPANFISMSA-N 2 2 332.492 2.225 10 0 EEAELP CC1CC(C[N@H+]2C[C@H](NC(=O)CCc3[nH+]ccn3C)C(C)(C)C2)C1 ZINC001448387831 1093378109 /nfs/dbraw/zinc/37/81/09/1093378109.db2.gz TYMRJULWHXEGES-GPANFISMSA-N 2 2 332.492 2.225 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1)C(=O)Cc1c[nH+]cn1C ZINC001440270399 1093382334 /nfs/dbraw/zinc/38/23/34/1093382334.db2.gz VVYYTVRIHSIWKO-KRWDZBQOSA-N 2 2 344.503 2.466 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CC1CCC2(CC2)CC1)C(=O)Cc1c[nH+]cn1C ZINC001440270399 1093382342 /nfs/dbraw/zinc/38/23/42/1093382342.db2.gz VVYYTVRIHSIWKO-KRWDZBQOSA-N 2 2 344.503 2.466 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CCC2)c1 ZINC001440336573 1093481011 /nfs/dbraw/zinc/48/10/11/1093481011.db2.gz BRDXIRNAFJXTTP-UHFFFAOYSA-N 2 2 330.407 2.228 10 0 EEAELP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001448538781 1093575933 /nfs/dbraw/zinc/57/59/33/1093575933.db2.gz SQYPDQUMYNYPAS-HOTGVXAUSA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1 ZINC001448538781 1093575940 /nfs/dbraw/zinc/57/59/40/1093575940.db2.gz SQYPDQUMYNYPAS-HOTGVXAUSA-N 2 2 332.492 2.414 10 0 EEAELP Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)no1 ZINC001440881091 1094139391 /nfs/dbraw/zinc/13/93/91/1094139391.db2.gz DDPTYWKSKZQPQX-UHFFFAOYSA-N 2 2 347.463 2.258 10 0 EEAELP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001449255312 1094203381 /nfs/dbraw/zinc/20/33/81/1094203381.db2.gz XDSHKKQTOHXLNB-KRWDZBQOSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC1CCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001449255312 1094203384 /nfs/dbraw/zinc/20/33/84/1094203384.db2.gz XDSHKKQTOHXLNB-KRWDZBQOSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@H+](C)C[C@@H]1CC[C@H](C)O1)C(=O)CCc1c[nH]c[nH+]1 ZINC001449276873 1094224268 /nfs/dbraw/zinc/22/42/68/1094224268.db2.gz YCBMGAFEKFGXLP-RDJZCZTQSA-N 2 2 336.480 2.079 10 0 EEAELP CC(C)N(CC[N@@H+](C)C[C@@H]1CC[C@H](C)O1)C(=O)CCc1c[nH]c[nH+]1 ZINC001449276873 1094224273 /nfs/dbraw/zinc/22/42/73/1094224273.db2.gz YCBMGAFEKFGXLP-RDJZCZTQSA-N 2 2 336.480 2.079 10 0 EEAELP CC(C)C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21)n1cc[nH+]c1 ZINC001441293294 1094729655 /nfs/dbraw/zinc/72/96/55/1094729655.db2.gz BYIPQYRMJTTZBF-NXOAAHMSSA-N 2 2 336.455 2.124 10 0 EEAELP CC(C)C[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCF)C[C@H]21)n1cc[nH+]c1 ZINC001441293294 1094729666 /nfs/dbraw/zinc/72/96/66/1094729666.db2.gz BYIPQYRMJTTZBF-NXOAAHMSSA-N 2 2 336.455 2.124 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001441554659 1095292611 /nfs/dbraw/zinc/29/26/11/1095292611.db2.gz JKHCXPBKGRBWFR-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC[C@H]1CCCCO1 ZINC001441645254 1095572805 /nfs/dbraw/zinc/57/28/05/1095572805.db2.gz IFQLKWRMKXAFCT-LSDHHAIUSA-N 2 2 336.480 2.083 10 0 EEAELP CO[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001441929915 1096116871 /nfs/dbraw/zinc/11/68/71/1096116871.db2.gz QPXYYAPSHMWZNB-GDBMZVCRSA-N 2 2 344.459 2.118 10 0 EEAELP CCc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001442423917 1096748501 /nfs/dbraw/zinc/74/85/01/1096748501.db2.gz XJFLGDDNKTUHSL-IAGOWNOFSA-N 2 2 326.444 2.324 10 0 EEAELP CCc1cccc(C[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001442423917 1096748510 /nfs/dbraw/zinc/74/85/10/1096748510.db2.gz XJFLGDDNKTUHSL-IAGOWNOFSA-N 2 2 326.444 2.324 10 0 EEAELP Cc1cc(C[N@H+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)sn1 ZINC001442555645 1096919070 /nfs/dbraw/zinc/91/90/70/1096919070.db2.gz XZXNWHHBEVTVNP-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)sn1 ZINC001442555645 1096919075 /nfs/dbraw/zinc/91/90/75/1096919075.db2.gz XZXNWHHBEVTVNP-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)sn1 ZINC001442555645 1096919084 /nfs/dbraw/zinc/91/90/84/1096919084.db2.gz XZXNWHHBEVTVNP-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)sn1 ZINC001442555645 1096919086 /nfs/dbraw/zinc/91/90/86/1096919086.db2.gz XZXNWHHBEVTVNP-GDBMZVCRSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]([NH2+]CCF)c2ccccc2)c[nH+]1 ZINC001443130988 1097555517 /nfs/dbraw/zinc/55/55/17/1097555517.db2.gz AMICXBYOOSVGAM-INIZCTEOSA-N 2 2 332.423 2.343 10 0 EEAELP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001444082001 1098610540 /nfs/dbraw/zinc/61/05/40/1098610540.db2.gz TUYDAMGPCIUYTE-GJZGRUSLSA-N 2 2 336.455 2.212 10 0 EEAELP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001479567091 1098611874 /nfs/dbraw/zinc/61/18/74/1098611874.db2.gz HEARNLNODGPPAY-IKGGRYGDSA-N 2 2 332.492 2.318 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1coc(C)n1 ZINC001479637509 1098666196 /nfs/dbraw/zinc/66/61/96/1098666196.db2.gz RORXFDBAIJFLLV-OKZBNKHCSA-N 2 2 348.491 2.327 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1coc(C)n1 ZINC001479637509 1098666199 /nfs/dbraw/zinc/66/61/99/1098666199.db2.gz RORXFDBAIJFLLV-OKZBNKHCSA-N 2 2 348.491 2.327 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1coc(C)n1 ZINC001479637509 1098666206 /nfs/dbraw/zinc/66/62/06/1098666206.db2.gz RORXFDBAIJFLLV-OKZBNKHCSA-N 2 2 348.491 2.327 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1coc(C)n1 ZINC001479637509 1098666208 /nfs/dbraw/zinc/66/62/08/1098666208.db2.gz RORXFDBAIJFLLV-OKZBNKHCSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cccnc1C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479719580 1098805896 /nfs/dbraw/zinc/80/58/96/1098805896.db2.gz CWEXNTWVEOAGRA-BBWFWOEESA-N 2 2 341.459 2.317 10 0 EEAELP Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)[C@H]1C ZINC001479719580 1098805908 /nfs/dbraw/zinc/80/59/08/1098805908.db2.gz CWEXNTWVEOAGRA-BBWFWOEESA-N 2 2 341.459 2.317 10 0 EEAELP Cc1conc1C[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2)CCCC1 ZINC001444522418 1099276200 /nfs/dbraw/zinc/27/62/00/1099276200.db2.gz HTDQCCMSMLKRTJ-HNNXBMFYSA-N 2 2 345.447 2.349 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001444690253 1099540997 /nfs/dbraw/zinc/54/09/97/1099540997.db2.gz ORSAEJWAXSZWQQ-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001444829051 1099774765 /nfs/dbraw/zinc/77/47/65/1099774765.db2.gz LGXVZZDKAGYYBM-CVEARBPZSA-N 2 2 332.492 2.389 10 0 EEAELP Cc1cc(C[N@@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)sn1 ZINC001445074665 1100282908 /nfs/dbraw/zinc/28/29/08/1100282908.db2.gz POUAQBCCUPDJMA-HUUCEWRRSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cc(C[N@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)sn1 ZINC001445074665 1100282917 /nfs/dbraw/zinc/28/29/17/1100282917.db2.gz POUAQBCCUPDJMA-HUUCEWRRSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)s1 ZINC001480481893 1100290014 /nfs/dbraw/zinc/29/00/14/1100290014.db2.gz OUGFWEDBSLHIAT-COLVAYQJSA-N 2 2 332.473 2.486 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)s1 ZINC001480481893 1100290022 /nfs/dbraw/zinc/29/00/22/1100290022.db2.gz OUGFWEDBSLHIAT-COLVAYQJSA-N 2 2 332.473 2.486 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001480486893 1100298052 /nfs/dbraw/zinc/29/80/52/1100298052.db2.gz QAIOQDXIECSCBJ-LLVKDONJSA-N 2 2 328.407 2.066 10 0 EEAELP CC(C)C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001496276326 1100856350 /nfs/dbraw/zinc/85/63/50/1100856350.db2.gz QOOQFZVXDPUVBA-GVDBMIGSSA-N 2 2 341.459 2.229 10 0 EEAELP CC(C)C[C@@H](C[NH2+]Cc1cccnc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001496276326 1100856362 /nfs/dbraw/zinc/85/63/62/1100856362.db2.gz QOOQFZVXDPUVBA-GVDBMIGSSA-N 2 2 341.459 2.229 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCCc1ccsc1 ZINC001496355496 1100949929 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335.477 2.020 10 0 EEAELP C[C@H](CC[NH2+][C@@H]1CCc2c1c(F)ccc2F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001497278045 1102242624 /nfs/dbraw/zinc/24/26/24/1102242624.db2.gz REOQAYIGSGKUPR-BDJLRTHQSA-N 2 2 348.397 2.402 10 0 EEAELP C[C@H](CC[NH2+][C@H]1CCc2c1c(F)ccc2F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001497278046 1102242870 /nfs/dbraw/zinc/24/28/70/1102242870.db2.gz REOQAYIGSGKUPR-BZNIZROVSA-N 2 2 348.397 2.402 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1 ZINC001447262287 1102328303 /nfs/dbraw/zinc/32/83/03/1102328303.db2.gz KLAYJYAOOGIPQN-OWCLPIDISA-N 2 2 330.476 2.027 10 0 EEAELP CCC1([NH2+]Cc2ccns2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001447416325 1102615072 /nfs/dbraw/zinc/61/50/72/1102615072.db2.gz QXPQMMFKQWHXOU-UHFFFAOYSA-N 2 2 347.488 2.291 10 0 EEAELP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)no1 ZINC001447604650 1102959225 /nfs/dbraw/zinc/95/92/25/1102959225.db2.gz TYDGLFQMFVLWBD-INIZCTEOSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C2)no1 ZINC001447604650 1102959231 /nfs/dbraw/zinc/95/92/31/1102959231.db2.gz TYDGLFQMFVLWBD-INIZCTEOSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)no1 ZINC001447604650 1102959238 /nfs/dbraw/zinc/95/92/38/1102959238.db2.gz TYDGLFQMFVLWBD-INIZCTEOSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C2)no1 ZINC001447604650 1102959249 /nfs/dbraw/zinc/95/92/49/1102959249.db2.gz TYDGLFQMFVLWBD-INIZCTEOSA-N 2 2 336.480 2.040 10 0 EEAELP CO[C@@H](C[NH2+]C[C@@H](C)NC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001497853758 1103199325 /nfs/dbraw/zinc/19/93/25/1103199325.db2.gz RVJSLQUPMJJBGN-PBHICJAKSA-N 2 2 344.459 2.247 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001494019429 1103360059 /nfs/dbraw/zinc/36/00/59/1103360059.db2.gz KKGZTFCDSAEQPH-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](CCNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001494019429 1103360075 /nfs/dbraw/zinc/36/00/75/1103360075.db2.gz KKGZTFCDSAEQPH-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1F ZINC001447881849 1103506805 /nfs/dbraw/zinc/50/68/05/1103506805.db2.gz HNXBQYCCROVGOC-HUUCEWRRSA-N 2 2 332.423 2.404 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1F ZINC001447912477 1103581117 /nfs/dbraw/zinc/58/11/17/1103581117.db2.gz FKSIKNVEYJVSJT-OLZOCXBDSA-N 2 2 332.423 2.391 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CCc1ccccc1 ZINC001448043855 1103880910 /nfs/dbraw/zinc/88/09/10/1103880910.db2.gz IMQJXAXJWCLJBG-SJLPKXTDSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CCc1ccccc1 ZINC001448043855 1103880914 /nfs/dbraw/zinc/88/09/14/1103880914.db2.gz IMQJXAXJWCLJBG-SJLPKXTDSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1oncc1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001448142522 1104096153 /nfs/dbraw/zinc/09/61/53/1104096153.db2.gz ILNYHJNEFVNBNW-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1oncc1C[N@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001448142522 1104096166 /nfs/dbraw/zinc/09/61/66/1104096166.db2.gz ILNYHJNEFVNBNW-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP CC(C)[C@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncc(F)c1 ZINC001448220140 1104202634 /nfs/dbraw/zinc/20/26/34/1104202634.db2.gz KJMZIBUHEVXFQI-KRWDZBQOSA-N 2 2 347.438 2.080 10 0 EEAELP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C12CCC2 ZINC001454162113 1106790303 /nfs/dbraw/zinc/79/03/03/1106790303.db2.gz DAZYXUSEFHDDKL-DLBZAZTESA-N 2 2 340.427 2.181 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001480694820 1106900460 /nfs/dbraw/zinc/90/04/60/1106900460.db2.gz IROQNNABIBVRQJ-XAHVKCOTSA-N 2 2 337.851 2.402 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001498208031 1107083727 /nfs/dbraw/zinc/08/37/27/1107083727.db2.gz QKMAALSEMJRWKH-AWEZNQCLSA-N 2 2 334.851 2.264 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccc(Cl)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001498208356 1107086249 /nfs/dbraw/zinc/08/62/49/1107086249.db2.gz XQCBWWVBTBHESK-HSWBROFVSA-N 2 2 332.835 2.344 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1CC[C@H]1CCCCO1 ZINC001480833551 1107230775 /nfs/dbraw/zinc/23/07/75/1107230775.db2.gz UVNMJPALMHIFPP-ZWKOTPCHSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1CC[C@H]1CCCCO1 ZINC001480833551 1107230784 /nfs/dbraw/zinc/23/07/84/1107230784.db2.gz UVNMJPALMHIFPP-ZWKOTPCHSA-N 2 2 348.491 2.203 10 0 EEAELP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001498642131 1107876243 /nfs/dbraw/zinc/87/62/43/1107876243.db2.gz UXMVHGJEVZKQRK-UHFFFAOYSA-N 2 2 329.448 2.029 10 0 EEAELP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1oc(C(C)C)nc1C ZINC001499092127 1108571988 /nfs/dbraw/zinc/57/19/88/1108571988.db2.gz BMBUDPBHYPMYFM-HNNXBMFYSA-N 2 2 336.480 2.139 10 0 EEAELP CC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1oc(C(C)C)nc1C ZINC001499092127 1108571999 /nfs/dbraw/zinc/57/19/99/1108571999.db2.gz BMBUDPBHYPMYFM-HNNXBMFYSA-N 2 2 336.480 2.139 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001499092127 1108572010 /nfs/dbraw/zinc/57/20/10/1108572010.db2.gz BMBUDPBHYPMYFM-HNNXBMFYSA-N 2 2 336.480 2.139 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001499092127 1108572019 /nfs/dbraw/zinc/57/20/19/1108572019.db2.gz BMBUDPBHYPMYFM-HNNXBMFYSA-N 2 2 336.480 2.139 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001493726302 1108575352 /nfs/dbraw/zinc/57/53/52/1108575352.db2.gz SWAOCODTBFPNAH-KBPBESRZSA-N 2 2 342.434 2.462 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001493726302 1108575361 /nfs/dbraw/zinc/57/53/61/1108575361.db2.gz SWAOCODTBFPNAH-KBPBESRZSA-N 2 2 342.434 2.462 10 0 EEAELP CN(CC[NH2+]CC[C@H]1CCc2ccccc21)C(=O)Cc1[nH]cc[nH+]1 ZINC001493742828 1108609360 /nfs/dbraw/zinc/60/93/60/1108609360.db2.gz UXBIHDAAQGSLBR-MRXNPFEDSA-N 2 2 326.444 2.120 10 0 EEAELP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC2)CCO1 ZINC001472971118 1110569478 /nfs/dbraw/zinc/56/94/78/1110569478.db2.gz UISGHHIVZMAUCX-HUUCEWRRSA-N 2 2 342.443 2.136 10 0 EEAELP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001500529749 1112921302 /nfs/dbraw/zinc/92/13/02/1112921302.db2.gz MEQUTYIBRFACOA-HKUYNNGSSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@]1(CNC(=O)Cc2c[nH]c[nH+]2)CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001500529749 1112921305 /nfs/dbraw/zinc/92/13/05/1112921305.db2.gz MEQUTYIBRFACOA-HKUYNNGSSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001501654841 1113416988 /nfs/dbraw/zinc/41/69/88/1113416988.db2.gz HLCNGUSXTLYCMS-QGZVFWFLSA-N 2 2 326.444 2.220 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)on1 ZINC001502136743 1113610337 /nfs/dbraw/zinc/61/03/37/1113610337.db2.gz ABZILEJIDLDPSA-JKSUJKDBSA-N 2 2 345.447 2.302 10 0 EEAELP 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ZINC001505719577 1114150008 /nfs/dbraw/zinc/15/00/08/1114150008.db2.gz DNSBBJKASAHABJ-HUUCEWRRSA-N 2 2 328.460 2.240 10 0 EEAELP Cc1ccc(CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC001505743508 1114164314 /nfs/dbraw/zinc/16/43/14/1114164314.db2.gz YDUZVQIVXBPSFX-SJORKVTESA-N 2 2 342.487 2.387 10 0 EEAELP C[C@@H]([NH2+]Cc1nsc2ccccc12)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505768679 1114180021 /nfs/dbraw/zinc/18/00/21/1114180021.db2.gz OYAHCIVGRPFZKC-OLZOCXBDSA-N 2 2 343.456 2.176 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@H]2C1 ZINC001506858966 1114925089 /nfs/dbraw/zinc/92/50/89/1114925089.db2.gz REGITHMBANPRHH-RCCFBDPRSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@H]2C1 ZINC001506858966 1114925092 /nfs/dbraw/zinc/92/50/92/1114925092.db2.gz REGITHMBANPRHH-RCCFBDPRSA-N 2 2 344.503 2.370 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001507092859 1115104470 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BEZHJPQDQHGOKJ-HOTGVXAUSA-N 2 2 342.443 2.277 10 0 EEAELP CC(C)OCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001567858074 1124141880 /nfs/dbraw/zinc/14/18/80/1124141880.db2.gz BEZHJPQDQHGOKJ-HOTGVXAUSA-N 2 2 342.443 2.277 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CC=C(Cl)Cl ZINC001568179690 1124342285 /nfs/dbraw/zinc/34/22/85/1124342285.db2.gz XXPFHCBSUHWEHU-NEPJUHHUSA-N 2 2 345.274 2.106 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCC[C@H]([C@H](C)[NH2+]CCCO)C2)c(C)[nH+]1 ZINC001568408723 1124478458 /nfs/dbraw/zinc/47/84/58/1124478458.db2.gz DGEIOQFBRDYVRR-RDJZCZTQSA-N 2 2 333.476 2.220 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]CC=C(Cl)Cl)c[nH+]1 ZINC001568999101 1125030512 /nfs/dbraw/zinc/03/05/12/1125030512.db2.gz JURBSFOGLUZERW-SNVBAGLBSA-N 2 2 333.263 2.340 10 0 EEAELP COc1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc2c1OCCO2 ZINC000188418089 539621167 /nfs/dbraw/zinc/62/11/67/539621167.db2.gz IHKUIVGYLZZSGE-OAHLLOKOSA-N 2 2 329.400 2.328 10 0 EEAELP 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330.350 2.442 10 0 EEAELP c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(OC2CCCC2)n1 ZINC000422960953 240307773 /nfs/dbraw/zinc/30/77/73/240307773.db2.gz AFXIICILMVMRPB-IEBWSBKVSA-N 2 2 331.460 2.260 10 0 EEAELP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1c[nH+]ccc1N ZINC000423035927 240338553 /nfs/dbraw/zinc/33/85/53/240338553.db2.gz SKGNGRBMJLCLSY-YJBOKZPZSA-N 3 2 340.471 2.302 10 0 EEAELP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1c[nH+]ccc1N ZINC000423035927 240338558 /nfs/dbraw/zinc/33/85/58/240338558.db2.gz SKGNGRBMJLCLSY-YJBOKZPZSA-N 3 2 340.471 2.302 10 0 EEAELP Cc1ccc2c(CC[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)cn(C)c2c1 ZINC000423059489 240345779 /nfs/dbraw/zinc/34/57/79/240345779.db2.gz MBVAYTRFNTUDLE-UXHICEINSA-N 2 2 327.472 2.386 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)c1 ZINC000459659443 245200255 /nfs/dbraw/zinc/20/02/55/245200255.db2.gz JYXQEIAZVFBTPU-UHFFFAOYSA-N 2 2 325.315 2.083 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)cn2c1 ZINC000264258550 246252596 /nfs/dbraw/zinc/25/25/96/246252596.db2.gz DOGIFIMJLSIVSA-MRXNPFEDSA-N 2 2 327.432 2.022 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3CC[N@H+]4CCCC[C@@H]4C3)cn2c1 ZINC000264258550 246252599 /nfs/dbraw/zinc/25/25/99/246252599.db2.gz DOGIFIMJLSIVSA-MRXNPFEDSA-N 2 2 327.432 2.022 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc(OC)c1 ZINC000093147360 218198242 /nfs/dbraw/zinc/19/82/42/218198242.db2.gz WOFHZIGARVXIKR-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc(OC)c1 ZINC000093147360 218198245 /nfs/dbraw/zinc/19/82/45/218198245.db2.gz WOFHZIGARVXIKR-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000353505011 285039575 /nfs/dbraw/zinc/03/95/75/285039575.db2.gz UFHPQHXCGNRLQM-CVEARBPZSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000353505011 285039576 /nfs/dbraw/zinc/03/95/76/285039576.db2.gz UFHPQHXCGNRLQM-CVEARBPZSA-N 2 2 329.448 2.029 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@@]3([NH+](C)C)CCSC3)ccc2[nH+]1 ZINC000267984403 256102480 /nfs/dbraw/zinc/10/24/80/256102480.db2.gz PURVMHCPMKGRCT-INIZCTEOSA-N 2 2 333.461 2.202 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H](O)c3ccccc3)CCC[NH+]2C)cn1 ZINC000328631554 258028149 /nfs/dbraw/zinc/02/81/49/258028149.db2.gz KQAMVGDFUWVUTQ-YSIASYRMSA-N 2 2 342.487 2.468 10 0 EEAELP Cn1cc([C@H]2[C@H](C[N@@H+](C)C[C@H](O)c3ccccc3)CCC[NH+]2C)cn1 ZINC000328631554 258028151 /nfs/dbraw/zinc/02/81/51/258028151.db2.gz KQAMVGDFUWVUTQ-YSIASYRMSA-N 2 2 342.487 2.468 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H](O)c3ccccc3)CCC[N@@H+]2C)cn1 ZINC000328631554 258028153 /nfs/dbraw/zinc/02/81/53/258028153.db2.gz KQAMVGDFUWVUTQ-YSIASYRMSA-N 2 2 342.487 2.468 10 0 EEAELP Cn1cc([C@H]2[C@H](C[NH+](C)C[C@H](O)c3ccccc3)CCC[N@H+]2C)cn1 ZINC000328631554 258028154 /nfs/dbraw/zinc/02/81/54/258028154.db2.gz KQAMVGDFUWVUTQ-YSIASYRMSA-N 2 2 342.487 2.468 10 0 EEAELP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000375898706 285366484 /nfs/dbraw/zinc/36/64/84/285366484.db2.gz WKJGIAHYUUPMPS-WMZOPIPTSA-N 2 2 326.444 2.144 10 0 EEAELP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000375898706 285366486 /nfs/dbraw/zinc/36/64/86/285366486.db2.gz WKJGIAHYUUPMPS-WMZOPIPTSA-N 2 2 326.444 2.144 10 0 EEAELP COc1cc(C)c(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000349082772 286205552 /nfs/dbraw/zinc/20/55/52/286205552.db2.gz XRNRLIWCOGEPEO-UHFFFAOYSA-N 2 2 334.508 2.165 10 0 EEAELP COc1cc(C)c(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000349082772 286205553 /nfs/dbraw/zinc/20/55/53/286205553.db2.gz XRNRLIWCOGEPEO-UHFFFAOYSA-N 2 2 334.508 2.165 10 0 EEAELP c1cn(-c2csc(CN3CC[NH+](CC4CCOCC4)CC3)c2)c[nH+]1 ZINC000346227189 152860460 /nfs/dbraw/zinc/86/04/60/152860460.db2.gz SYZROCYHBGXYPH-UHFFFAOYSA-N 2 2 346.500 2.478 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374213398 154007334 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Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000192042950 160166221 /nfs/dbraw/zinc/16/62/21/160166221.db2.gz WQYLHWYEWZKOCK-IBGZPJMESA-N 2 2 326.444 2.087 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000192042950 160166223 /nfs/dbraw/zinc/16/62/23/160166223.db2.gz WQYLHWYEWZKOCK-IBGZPJMESA-N 2 2 326.444 2.087 10 0 EEAELP CC(C)C[C@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193602833 160183991 /nfs/dbraw/zinc/18/39/91/160183991.db2.gz HJDKSLUHRQMHFR-OTWHNJEPSA-N 2 2 329.488 2.383 10 0 EEAELP CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193602833 160183992 /nfs/dbraw/zinc/18/39/92/160183992.db2.gz HJDKSLUHRQMHFR-OTWHNJEPSA-N 2 2 329.488 2.383 10 0 EEAELP CC(C)C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193602833 160183993 /nfs/dbraw/zinc/18/39/93/160183993.db2.gz HJDKSLUHRQMHFR-OTWHNJEPSA-N 2 2 329.488 2.383 10 0 EEAELP CC(C)C[C@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193602833 160183994 /nfs/dbraw/zinc/18/39/94/160183994.db2.gz HJDKSLUHRQMHFR-OTWHNJEPSA-N 2 2 329.488 2.383 10 0 EEAELP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000245987061 160260309 /nfs/dbraw/zinc/26/03/09/160260309.db2.gz QEAAGYRQTAMCEK-JKSUJKDBSA-N 2 2 331.464 2.009 10 0 EEAELP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCNc2cccc[nH+]2)C1 ZINC000245987061 160260311 /nfs/dbraw/zinc/26/03/11/160260311.db2.gz QEAAGYRQTAMCEK-JKSUJKDBSA-N 2 2 331.464 2.009 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)c2cc1C ZINC000246745150 160292401 /nfs/dbraw/zinc/29/24/01/160292401.db2.gz MYSBEYQKFVBDEX-FGTMMUONSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1C ZINC000246745150 160292403 /nfs/dbraw/zinc/29/24/03/160292403.db2.gz MYSBEYQKFVBDEX-FGTMMUONSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c2cc1C ZINC000246745150 160292404 /nfs/dbraw/zinc/29/24/04/160292404.db2.gz MYSBEYQKFVBDEX-FGTMMUONSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)c2cc1C ZINC000246745150 160292406 /nfs/dbraw/zinc/29/24/06/160292406.db2.gz MYSBEYQKFVBDEX-FGTMMUONSA-N 3 2 344.503 2.429 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247293566 160318846 /nfs/dbraw/zinc/31/88/46/160318846.db2.gz ZHGJJGYTWPIRHD-SJLPKXTDSA-N 2 2 345.487 2.070 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247293566 160318848 /nfs/dbraw/zinc/31/88/48/160318848.db2.gz ZHGJJGYTWPIRHD-SJLPKXTDSA-N 2 2 345.487 2.070 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247293566 160318850 /nfs/dbraw/zinc/31/88/50/160318850.db2.gz ZHGJJGYTWPIRHD-SJLPKXTDSA-N 2 2 345.487 2.070 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247293566 160318851 /nfs/dbraw/zinc/31/88/51/160318851.db2.gz ZHGJJGYTWPIRHD-SJLPKXTDSA-N 2 2 345.487 2.070 10 0 EEAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000247531886 160327878 /nfs/dbraw/zinc/32/78/78/160327878.db2.gz ZYHVFQBHQFVRSG-DOTOQJQBSA-N 2 2 345.491 2.210 10 0 EEAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000247531886 160327880 /nfs/dbraw/zinc/32/78/80/160327880.db2.gz ZYHVFQBHQFVRSG-DOTOQJQBSA-N 2 2 345.491 2.210 10 0 EEAELP Cc1cccc(OC[C@@H](O)C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000342821600 161093432 /nfs/dbraw/zinc/09/34/32/161093432.db2.gz OOVKNYSMCIWFRD-SFHVURJKSA-N 2 2 341.455 2.260 10 0 EEAELP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1C ZINC000343416634 161134017 /nfs/dbraw/zinc/13/40/17/161134017.db2.gz DAFLBIJLPLGMJK-BEFAXECRSA-N 2 2 338.459 2.241 10 0 EEAELP Cn1nccc1[C@@H]1[C@@H](C[NH2+]Cc2cnn3ccccc23)CCC[N@H+]1C ZINC000343416634 161134018 /nfs/dbraw/zinc/13/40/18/161134018.db2.gz DAFLBIJLPLGMJK-BEFAXECRSA-N 2 2 338.459 2.241 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000343844490 161173844 /nfs/dbraw/zinc/17/38/44/161173844.db2.gz XGNGBHSMWYQFOL-UHFFFAOYSA-N 2 2 344.484 2.476 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ncnn1-c1ccccc1 ZINC000355191801 163107120 /nfs/dbraw/zinc/10/71/20/163107120.db2.gz BZKNXNZVFSEWJH-UHFFFAOYSA-N 2 2 345.410 2.446 10 0 EEAELP COC(=O)[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000358861814 164002529 /nfs/dbraw/zinc/00/25/29/164002529.db2.gz YMINRZPJZMWRDR-KRWDZBQOSA-N 2 2 335.448 2.045 10 0 EEAELP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CCN1CC(F)F ZINC000420368991 287196833 /nfs/dbraw/zinc/19/68/33/287196833.db2.gz XGIRSLQJAHNXMO-HZPDHXFCSA-N 2 2 341.446 2.399 10 0 EEAELP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CCN1CC(F)F ZINC000420368991 287196836 /nfs/dbraw/zinc/19/68/36/287196836.db2.gz XGIRSLQJAHNXMO-HZPDHXFCSA-N 2 2 341.446 2.399 10 0 EEAELP CO[C@@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC[C@H]1C ZINC000251872179 274099594 /nfs/dbraw/zinc/09/95/94/274099594.db2.gz PBTHRLUMVMXCIL-ACWOFJMJSA-N 2 2 331.460 2.371 10 0 EEAELP CO[C@@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC[C@H]1C ZINC000251872179 274099595 /nfs/dbraw/zinc/09/95/95/274099595.db2.gz PBTHRLUMVMXCIL-ACWOFJMJSA-N 2 2 331.460 2.371 10 0 EEAELP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271442240 274131963 /nfs/dbraw/zinc/13/19/63/274131963.db2.gz CIPMUPOLPLFIBO-WBVHZDCISA-N 2 2 339.842 2.435 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000278585645 274377518 /nfs/dbraw/zinc/37/75/18/274377518.db2.gz BYLBYZCRDPDPJD-WMLDXEAASA-N 2 2 334.370 2.100 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000278585645 274377521 /nfs/dbraw/zinc/37/75/21/274377521.db2.gz BYLBYZCRDPDPJD-WMLDXEAASA-N 2 2 334.370 2.100 10 0 EEAELP COCc1cc(N2CCO[C@H](C[NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000290674895 275228466 /nfs/dbraw/zinc/22/84/66/275228466.db2.gz ROFQSJHRANCTQO-OAHLLOKOSA-N 2 2 333.407 2.287 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@H]2CC2(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000172753283 277026506 /nfs/dbraw/zinc/02/65/06/277026506.db2.gz MHSBMRVKRVLNCQ-CYBMUJFWSA-N 2 2 348.318 2.247 10 0 EEAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000415366867 278310775 /nfs/dbraw/zinc/31/07/75/278310775.db2.gz XDRFJKZWWOPZRX-CHWSQXEVSA-N 2 2 325.416 2.459 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@H]2CCC[C@H]21 ZINC000353400585 290216258 /nfs/dbraw/zinc/21/62/58/290216258.db2.gz FWEGIJLVTXWMSL-CEXWTWQISA-N 3 2 335.536 2.484 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@H]2CCC[C@H]21 ZINC000353400585 290216261 /nfs/dbraw/zinc/21/62/61/290216261.db2.gz FWEGIJLVTXWMSL-CEXWTWQISA-N 3 2 335.536 2.484 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000428422639 292945471 /nfs/dbraw/zinc/94/54/71/292945471.db2.gz RRLFCZXBYHMNHS-KURKYZTESA-N 2 2 331.508 2.336 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)n1C ZINC000414363592 313005348 /nfs/dbraw/zinc/00/53/48/313005348.db2.gz GVXNQFWWTNEFRW-DLBZAZTESA-N 2 2 349.429 2.299 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](CF)C2)CC1 ZINC000414467253 313027683 /nfs/dbraw/zinc/02/76/83/313027683.db2.gz DFZXOJXGMOVIAD-GOSISDBHSA-N 2 2 335.467 2.389 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](CF)C2)CC1 ZINC000414467253 313027686 /nfs/dbraw/zinc/02/76/86/313027686.db2.gz DFZXOJXGMOVIAD-GOSISDBHSA-N 2 2 335.467 2.389 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416837420 313330614 /nfs/dbraw/zinc/33/06/14/313330614.db2.gz AEDOIWQAVZTVSB-CVEARBPZSA-N 2 2 341.459 2.128 10 0 EEAELP [NH3+]C1(CNC(=O)NCCc2cn3ccccc3[nH+]2)CCCCCC1 ZINC000416927408 313362842 /nfs/dbraw/zinc/36/28/42/313362842.db2.gz ASCYBQCKVHATRQ-UHFFFAOYSA-N 2 2 329.448 2.228 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC2)s1 ZINC000418374106 313797174 /nfs/dbraw/zinc/79/71/74/313797174.db2.gz CJZBVXDTWHWVPZ-INIZCTEOSA-N 2 2 338.521 2.121 10 0 EEAELP CCOc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(F)cc1OC ZINC000527644265 317235171 /nfs/dbraw/zinc/23/51/71/317235171.db2.gz GZKLFHBTLNDVLA-UHFFFAOYSA-N 2 2 340.439 2.169 10 0 EEAELP C[N@@H+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H](c2ccccc2)C1 ZINC000537581684 318020514 /nfs/dbraw/zinc/02/05/14/318020514.db2.gz MGEKQNQUCJVDMJ-IBGZPJMESA-N 2 2 338.455 2.277 10 0 EEAELP C[N@H+]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)[C@H](c2ccccc2)C1 ZINC000537581684 318020517 /nfs/dbraw/zinc/02/05/17/318020517.db2.gz MGEKQNQUCJVDMJ-IBGZPJMESA-N 2 2 338.455 2.277 10 0 EEAELP [NH3+]CCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000563106131 318972627 /nfs/dbraw/zinc/97/26/27/318972627.db2.gz VWOULGOPMOODNQ-CQSZACIVSA-N 2 2 340.265 2.051 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C[C@H]2C[C@@H]2c2ccccc2)C1=O ZINC000574741925 320052421 /nfs/dbraw/zinc/05/24/21/320052421.db2.gz HAPBZNNEQIUXKL-KURKYZTESA-N 2 2 338.455 2.304 10 0 EEAELP O=S1(=O)CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574754441 320053959 /nfs/dbraw/zinc/05/39/59/320053959.db2.gz DCYQFOQKHRKKLC-MSOLQXFVSA-N 2 2 348.512 2.350 10 0 EEAELP O=S1(=O)CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574754441 320053960 /nfs/dbraw/zinc/05/39/60/320053960.db2.gz DCYQFOQKHRKKLC-MSOLQXFVSA-N 2 2 348.512 2.350 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2ccc3ccccc3c2)c1 ZINC000577842249 320279245 /nfs/dbraw/zinc/27/92/45/320279245.db2.gz OPTUBTIPKDHMMR-SFHVURJKSA-N 2 2 325.412 2.145 10 0 EEAELP CCO[C@H](C)c1noc(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000580455482 324068069 /nfs/dbraw/zinc/06/80/69/324068069.db2.gz IHFYLKSBSDWOSD-CYBMUJFWSA-N 2 2 330.432 2.445 10 0 EEAELP CCO[C@H](C)c1noc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000580455482 324068071 /nfs/dbraw/zinc/06/80/71/324068071.db2.gz IHFYLKSBSDWOSD-CYBMUJFWSA-N 2 2 330.432 2.445 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000580780971 324128096 /nfs/dbraw/zinc/12/80/96/324128096.db2.gz MIQLKHDUDARPSV-JSGCOSHPSA-N 2 2 331.794 2.186 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000580780971 324128098 /nfs/dbraw/zinc/12/80/98/324128098.db2.gz MIQLKHDUDARPSV-JSGCOSHPSA-N 2 2 331.794 2.186 10 0 EEAELP CC(C)(CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C[NH+]1CCCC1 ZINC000582156992 324390409 /nfs/dbraw/zinc/39/04/09/324390409.db2.gz XOPDCXPJDCZTAL-UHFFFAOYSA-N 2 2 327.432 2.119 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)CC2 ZINC000625978654 450548098 /nfs/dbraw/zinc/54/80/98/450548098.db2.gz WSOSLSBOJUBUQK-OAHLLOKOSA-N 2 2 327.432 2.076 10 0 EEAELP C[C@H](NC(=O)NCc1ccnc(-n2cc[nH+]c2)c1)C(C)(C)C[NH+](C)C ZINC000085401202 462544009 /nfs/dbraw/zinc/54/40/09/462544009.db2.gz PSIJPWMNNPEWNK-AWEZNQCLSA-N 2 2 344.463 2.043 10 0 EEAELP Cc1ccc(CCC[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cn1 ZINC000351326654 465118076 /nfs/dbraw/zinc/11/80/76/465118076.db2.gz JSDRXKLYIICJFW-UHFFFAOYSA-N 2 2 340.475 2.001 10 0 EEAELP CCC(CC)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCC1 ZINC000358455345 465133155 /nfs/dbraw/zinc/13/31/55/465133155.db2.gz KEQAKCGJTAUBMS-YJBOKZPZSA-N 2 2 347.507 2.467 10 0 EEAELP CCC(CC)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCCC1 ZINC000358455345 465133161 /nfs/dbraw/zinc/13/31/61/465133161.db2.gz KEQAKCGJTAUBMS-YJBOKZPZSA-N 2 2 347.507 2.467 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000296340054 465162411 /nfs/dbraw/zinc/16/24/11/465162411.db2.gz MZHSQOURJUFUHF-KRWDZBQOSA-N 2 2 341.459 2.367 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000296340054 465162416 /nfs/dbraw/zinc/16/24/16/465162416.db2.gz MZHSQOURJUFUHF-KRWDZBQOSA-N 2 2 341.459 2.367 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000351520908 465199232 /nfs/dbraw/zinc/19/92/32/465199232.db2.gz IGCYQKBRPLNLNK-SFHVURJKSA-N 2 2 346.519 2.472 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000351520908 465199240 /nfs/dbraw/zinc/19/92/40/465199240.db2.gz IGCYQKBRPLNLNK-SFHVURJKSA-N 2 2 346.519 2.472 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000351635050 465264099 /nfs/dbraw/zinc/26/40/99/465264099.db2.gz IRSONWWIRZIRNX-SFHVURJKSA-N 2 2 337.508 2.011 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000351635050 465264107 /nfs/dbraw/zinc/26/41/07/465264107.db2.gz IRSONWWIRZIRNX-SFHVURJKSA-N 2 2 337.508 2.011 10 0 EEAELP C[NH+](CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000351635050 465264113 /nfs/dbraw/zinc/26/41/13/465264113.db2.gz IRSONWWIRZIRNX-SFHVURJKSA-N 2 2 337.508 2.011 10 0 EEAELP C[NH+](CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000351635050 465264117 /nfs/dbraw/zinc/26/41/17/465264117.db2.gz IRSONWWIRZIRNX-SFHVURJKSA-N 2 2 337.508 2.011 10 0 EEAELP O[C@@H]1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337266841 465275764 /nfs/dbraw/zinc/27/57/64/465275764.db2.gz VUPPUVRUHFEFSA-CEXWTWQISA-N 2 2 327.428 2.234 10 0 EEAELP O[C@@H]1CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337266841 465275769 /nfs/dbraw/zinc/27/57/69/465275769.db2.gz VUPPUVRUHFEFSA-CEXWTWQISA-N 2 2 327.428 2.234 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000356204569 465299266 /nfs/dbraw/zinc/29/92/66/465299266.db2.gz KGTSHZKCYAHWNP-RTBURBONSA-N 2 2 344.503 2.210 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000356204569 465299270 /nfs/dbraw/zinc/29/92/70/465299270.db2.gz KGTSHZKCYAHWNP-RTBURBONSA-N 2 2 344.503 2.210 10 0 EEAELP COC(=O)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)c(F)c1 ZINC000568168633 468283986 /nfs/dbraw/zinc/28/39/86/468283986.db2.gz MUDZAAJHXCKLNR-UHFFFAOYSA-N 2 2 337.370 2.306 10 0 EEAELP COC(=O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(F)c(F)c1 ZINC000568168633 468283987 /nfs/dbraw/zinc/28/39/87/468283987.db2.gz MUDZAAJHXCKLNR-UHFFFAOYSA-N 2 2 337.370 2.306 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000075961945 462777841 /nfs/dbraw/zinc/77/78/41/462777841.db2.gz LDVGTXUCQLBKIC-LBPRGKRZSA-N 2 2 347.385 2.119 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000075961945 462777846 /nfs/dbraw/zinc/77/78/46/462777846.db2.gz LDVGTXUCQLBKIC-LBPRGKRZSA-N 2 2 347.385 2.119 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076149754 462815726 /nfs/dbraw/zinc/81/57/26/462815726.db2.gz CKHSMRPEXSSPIE-SJORKVTESA-N 2 2 330.476 2.241 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000076149754 462815731 /nfs/dbraw/zinc/81/57/31/462815731.db2.gz CKHSMRPEXSSPIE-SJORKVTESA-N 2 2 330.476 2.241 10 0 EEAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H]1CS(=O)(=O)c2ccccc21 ZINC000579220518 468326319 /nfs/dbraw/zinc/32/63/19/468326319.db2.gz DUFRLQQEZFWMKP-ZVZYQTTQSA-N 2 2 344.480 2.106 10 0 EEAELP Cc1nc2sccn2c1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000092703746 462974748 /nfs/dbraw/zinc/97/47/48/462974748.db2.gz RVRQRBZJWLMVLT-UHFFFAOYSA-N 2 2 342.472 2.433 10 0 EEAELP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077805292 463052378 /nfs/dbraw/zinc/05/23/78/463052378.db2.gz HKGOTQYBAGXJFO-MRXNPFEDSA-N 2 2 345.491 2.224 10 0 EEAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000077805290 463052753 /nfs/dbraw/zinc/05/27/53/463052753.db2.gz HKGOTQYBAGXJFO-INIZCTEOSA-N 2 2 345.491 2.224 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000136331630 463234486 /nfs/dbraw/zinc/23/44/86/463234486.db2.gz DAFCGRVTROENIP-INIZCTEOSA-N 2 2 347.507 2.257 10 0 EEAELP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000136827529 463260847 /nfs/dbraw/zinc/26/08/47/463260847.db2.gz NKBSWACFRJGBMF-IAGOWNOFSA-N 2 2 347.507 2.116 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000136827529 463260851 /nfs/dbraw/zinc/26/08/51/463260851.db2.gz NKBSWACFRJGBMF-IAGOWNOFSA-N 2 2 347.507 2.116 10 0 EEAELP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000069739077 463312991 /nfs/dbraw/zinc/31/29/91/463312991.db2.gz FRIHYRDDBKBJAX-PBHICJAKSA-N 2 2 337.427 2.202 10 0 EEAELP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1C[C@H](O)c1ccccc1 ZINC000069739077 463312997 /nfs/dbraw/zinc/31/29/97/463312997.db2.gz FRIHYRDDBKBJAX-PBHICJAKSA-N 2 2 337.427 2.202 10 0 EEAELP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000080618682 463338364 /nfs/dbraw/zinc/33/83/64/463338364.db2.gz YTTBRIMBWQKXNU-LJQANCHMSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000080618682 463338368 /nfs/dbraw/zinc/33/83/68/463338368.db2.gz YTTBRIMBWQKXNU-LJQANCHMSA-N 2 2 345.462 2.487 10 0 EEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-n2cc[nH+]c2)nc1 ZINC000070012346 463366256 /nfs/dbraw/zinc/36/62/56/463366256.db2.gz RRLDDVNOTAJCPV-KRWDZBQOSA-N 2 2 335.411 2.379 10 0 EEAELP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000081283285 463413154 /nfs/dbraw/zinc/41/31/54/463413154.db2.gz QBAQKIPYBXMOCT-UHOSZYNNSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[NH+](C)CCO1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000081283285 463413157 /nfs/dbraw/zinc/41/31/57/463413157.db2.gz QBAQKIPYBXMOCT-UHOSZYNNSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[N@H+](C)CCO1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000081283285 463413162 /nfs/dbraw/zinc/41/31/62/463413162.db2.gz QBAQKIPYBXMOCT-UHOSZYNNSA-N 2 2 345.487 2.001 10 0 EEAELP CCN(C(=O)[C@@H]1C[N@@H+](C)CCO1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000081283285 463413165 /nfs/dbraw/zinc/41/31/65/463413165.db2.gz QBAQKIPYBXMOCT-UHOSZYNNSA-N 2 2 345.487 2.001 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c[nH]nc2C(C)(C)C)nc[nH+]1 ZINC000071877203 463452578 /nfs/dbraw/zinc/45/25/78/463452578.db2.gz WJUXDZOHCOJSKQ-CQSZACIVSA-N 2 2 343.479 2.298 10 0 EEAELP COc1cccc(/C(C)=C/C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000081808402 463495996 /nfs/dbraw/zinc/49/59/96/463495996.db2.gz JTWTVPRTUBPFSO-JQIJEIRASA-N 2 2 345.487 2.241 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000170826075 463715321 /nfs/dbraw/zinc/71/53/21/463715321.db2.gz RCBAFAKGTCEEHN-HNNXBMFYSA-N 2 2 329.448 2.080 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268478980 463759964 /nfs/dbraw/zinc/75/99/64/463759964.db2.gz ILJUONAYYHVWGC-WMZOPIPTSA-N 2 2 341.459 2.188 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268478980 463759968 /nfs/dbraw/zinc/75/99/68/463759968.db2.gz ILJUONAYYHVWGC-WMZOPIPTSA-N 2 2 341.459 2.188 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262138104 463956594 /nfs/dbraw/zinc/95/65/94/463956594.db2.gz DQHLNWCHKVFXJG-GFCCVEGCSA-N 2 2 335.839 2.061 10 0 EEAELP Cc1ccc(CC[N@@H+](Cc2noc(C[NH3+])n2)C[C@H]2CCCO2)cc1 ZINC000262198316 463970239 /nfs/dbraw/zinc/97/02/39/463970239.db2.gz KEAYOXAZPBRSAS-MRXNPFEDSA-N 2 2 330.432 2.060 10 0 EEAELP Cc1ccc(CC[N@H+](Cc2noc(C[NH3+])n2)C[C@H]2CCCO2)cc1 ZINC000262198316 463970243 /nfs/dbraw/zinc/97/02/43/463970243.db2.gz KEAYOXAZPBRSAS-MRXNPFEDSA-N 2 2 330.432 2.060 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262266915 463985537 /nfs/dbraw/zinc/98/55/37/463985537.db2.gz RZYKTGWJRYCXFK-SJORKVTESA-N 2 2 339.439 2.308 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262266915 463985547 /nfs/dbraw/zinc/98/55/47/463985547.db2.gz RZYKTGWJRYCXFK-SJORKVTESA-N 2 2 339.439 2.308 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000279949283 464168561 /nfs/dbraw/zinc/16/85/61/464168561.db2.gz SCJRPNVBUMNZGF-OKZBNKHCSA-N 2 2 349.425 2.453 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000279949283 464168564 /nfs/dbraw/zinc/16/85/64/464168564.db2.gz SCJRPNVBUMNZGF-OKZBNKHCSA-N 2 2 349.425 2.453 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000279949283 464168565 /nfs/dbraw/zinc/16/85/65/464168565.db2.gz SCJRPNVBUMNZGF-OKZBNKHCSA-N 2 2 349.425 2.453 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000279949283 464168568 /nfs/dbraw/zinc/16/85/68/464168568.db2.gz SCJRPNVBUMNZGF-OKZBNKHCSA-N 2 2 349.425 2.453 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173523237 464275977 /nfs/dbraw/zinc/27/59/77/464275977.db2.gz QYWLGNCODHUVFU-MRXNPFEDSA-N 2 2 339.443 2.000 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000292698182 464312486 /nfs/dbraw/zinc/31/24/86/464312486.db2.gz NXDBAROMUBVASB-UHFFFAOYSA-N 2 2 346.406 2.290 10 0 EEAELP C[NH+]1CCC(CNC(=O)C(C)(Cl)Cl)([NH+]2CCCCC2)CC1 ZINC000181207707 464457539 /nfs/dbraw/zinc/45/75/39/464457539.db2.gz SGBAHSZJKLLENC-UHFFFAOYSA-N 2 2 336.307 2.247 10 0 EEAELP CO[C@@H]1C[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC[C@@H]1C ZINC000189351277 464482628 /nfs/dbraw/zinc/48/26/28/464482628.db2.gz PBTHRLUMVMXCIL-IYJAJMOOSA-N 2 2 331.460 2.371 10 0 EEAELP CO[C@@H]1C[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC[C@@H]1C ZINC000189351277 464482631 /nfs/dbraw/zinc/48/26/31/464482631.db2.gz PBTHRLUMVMXCIL-IYJAJMOOSA-N 2 2 331.460 2.371 10 0 EEAELP CCO[C@H]1C[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000189430857 464501731 /nfs/dbraw/zinc/50/17/31/464501731.db2.gz JZBGNEWDMGPIDP-AZUAARDMSA-N 2 2 347.503 2.202 10 0 EEAELP C[N@H+](C[C@@H](O)CC(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189516567 464523435 /nfs/dbraw/zinc/52/34/35/464523435.db2.gz HBLRKTBJGHZRGF-INIZCTEOSA-N 2 2 345.409 2.334 10 0 EEAELP C[N@@H+](C[C@@H](O)CC(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189516567 464523444 /nfs/dbraw/zinc/52/34/44/464523444.db2.gz HBLRKTBJGHZRGF-INIZCTEOSA-N 2 2 345.409 2.334 10 0 EEAELP COc1cc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc(OC)c1 ZINC000265481407 464576320 /nfs/dbraw/zinc/57/63/20/464576320.db2.gz KZFLDCSQQYEZHR-UHFFFAOYSA-N 2 2 344.415 2.245 10 0 EEAELP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439832 464609591 /nfs/dbraw/zinc/60/95/91/464609591.db2.gz SRNXVEFGEONHIV-MXEMCNAFSA-N 3 2 343.515 2.228 10 0 EEAELP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+]1CCCC1 ZINC000272439832 464609593 /nfs/dbraw/zinc/60/95/93/464609593.db2.gz SRNXVEFGEONHIV-MXEMCNAFSA-N 3 2 343.515 2.228 10 0 EEAELP COC(=O)c1coc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000190485810 464656050 /nfs/dbraw/zinc/65/60/50/464656050.db2.gz UFTQZQXOJJURAL-INIZCTEOSA-N 2 2 343.427 2.415 10 0 EEAELP COC(=O)c1coc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000190485810 464656056 /nfs/dbraw/zinc/65/60/56/464656056.db2.gz UFTQZQXOJJURAL-INIZCTEOSA-N 2 2 343.427 2.415 10 0 EEAELP COC(=O)c1coc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000190485810 464656058 /nfs/dbraw/zinc/65/60/58/464656058.db2.gz UFTQZQXOJJURAL-INIZCTEOSA-N 2 2 343.427 2.415 10 0 EEAELP CC[C@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)[NH+](C)C ZINC000275543919 464779807 /nfs/dbraw/zinc/77/98/07/464779807.db2.gz GXCYSVGWVQXLRD-HZPDHXFCSA-N 2 2 346.475 2.002 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cn2c1 ZINC000266745620 464807644 /nfs/dbraw/zinc/80/76/44/464807644.db2.gz NAUFCPWGJYDKAN-GOEBONIOSA-N 2 2 329.448 2.267 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cn2c1 ZINC000266745620 464807650 /nfs/dbraw/zinc/80/76/50/464807650.db2.gz NAUFCPWGJYDKAN-GOEBONIOSA-N 2 2 329.448 2.267 10 0 EEAELP CN1C(=O)C[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000192157238 464876679 /nfs/dbraw/zinc/87/66/79/464876679.db2.gz HNZFEECSDNZEHB-WBVHZDCISA-N 2 2 332.835 2.488 10 0 EEAELP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCC4(CCOCC4)[C@H]3O)n2c1 ZINC000282657902 464900568 /nfs/dbraw/zinc/90/05/68/464900568.db2.gz IJNWZWASLRZGRD-YJBOKZPZSA-N 2 2 329.444 2.300 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C/C=C\c2cccc(F)c2)CC1 ZINC000254965408 465020903 /nfs/dbraw/zinc/02/09/03/465020903.db2.gz HQSHQRAIJDDVCZ-XQRVVYSFSA-N 2 2 333.451 2.371 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000337837782 465618897 /nfs/dbraw/zinc/61/88/97/465618897.db2.gz JVMRRFQMENSTNL-KRWDZBQOSA-N 2 2 347.503 2.296 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000337837782 465618901 /nfs/dbraw/zinc/61/89/01/465618901.db2.gz JVMRRFQMENSTNL-KRWDZBQOSA-N 2 2 347.503 2.296 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000361588308 466122240 /nfs/dbraw/zinc/12/22/40/466122240.db2.gz MEEJRAHJXVEUCN-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000361588308 466122246 /nfs/dbraw/zinc/12/22/46/466122246.db2.gz MEEJRAHJXVEUCN-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP Cn1ncc2c1nc(N1CCC(CCC[NH+]3CCCC3)CC1)[nH+]c2N ZINC000302910936 466212500 /nfs/dbraw/zinc/21/25/00/466212500.db2.gz ZJZKUMQEOFGODU-UHFFFAOYSA-N 2 2 343.479 2.038 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000597215742 468482726 /nfs/dbraw/zinc/48/27/26/468482726.db2.gz MZAUEYRAFKCZKX-UHFFFAOYSA-N 2 2 348.491 2.195 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000350180345 466415760 /nfs/dbraw/zinc/41/57/60/466415760.db2.gz FJFWBAJHENIHEA-HNNXBMFYSA-N 2 2 337.439 2.197 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000350180345 466415764 /nfs/dbraw/zinc/41/57/64/466415764.db2.gz FJFWBAJHENIHEA-HNNXBMFYSA-N 2 2 337.439 2.197 10 0 EEAELP c1[nH+]c([C@@H]2CCC[N@H+](CCCN3CCOCC3)C2)n2c1CCCC2 ZINC000368514306 466655322 /nfs/dbraw/zinc/65/53/22/466655322.db2.gz MPPSNJFPBKMFAE-QGZVFWFLSA-N 2 2 332.492 2.121 10 0 EEAELP O[C@H](C[NH+]1CCS[C@H]2CCC[C@H]21)C[N@@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000408514951 466671721 /nfs/dbraw/zinc/67/17/21/466671721.db2.gz GTRNAQGREGZNEI-ZUFZQKGWSA-N 2 2 342.574 2.287 10 0 EEAELP O[C@H](C[NH+]1CCS[C@H]2CCC[C@H]21)C[N@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000408514951 466671726 /nfs/dbraw/zinc/67/17/26/466671726.db2.gz GTRNAQGREGZNEI-ZUFZQKGWSA-N 2 2 342.574 2.287 10 0 EEAELP O[C@@H](C[NH+]1CCS[C@@H]2CCC[C@@H]21)C[N@@H+]1CCS[C@H]2CCC[C@H]21 ZINC000408514951 466671729 /nfs/dbraw/zinc/67/17/29/466671729.db2.gz GTRNAQGREGZNEI-ZUFZQKGWSA-N 2 2 342.574 2.287 10 0 EEAELP O[C@@H](C[NH+]1CCS[C@@H]2CCC[C@@H]21)C[N@H+]1CCS[C@H]2CCC[C@H]21 ZINC000408514951 466671734 /nfs/dbraw/zinc/67/17/34/466671734.db2.gz GTRNAQGREGZNEI-ZUFZQKGWSA-N 2 2 342.574 2.287 10 0 EEAELP CC(C)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422698619 466681426 /nfs/dbraw/zinc/68/14/26/466681426.db2.gz ADUZBOZXRBQYSR-VQTJNVASSA-N 2 2 343.515 2.180 10 0 EEAELP CC(C)(CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422698619 466681434 /nfs/dbraw/zinc/68/14/34/466681434.db2.gz ADUZBOZXRBQYSR-VQTJNVASSA-N 2 2 343.515 2.180 10 0 EEAELP CC(C)(CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422698619 466681438 /nfs/dbraw/zinc/68/14/38/466681438.db2.gz ADUZBOZXRBQYSR-VQTJNVASSA-N 2 2 343.515 2.180 10 0 EEAELP c1n[nH]c2c1[C@H]([NH2+]CCN1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000368608630 466687982 /nfs/dbraw/zinc/68/79/82/466687982.db2.gz QNUPRDWVWPLGCC-LJQANCHMSA-N 2 2 339.487 2.195 10 0 EEAELP CCc1nnc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1C ZINC000370306860 466831963 /nfs/dbraw/zinc/83/19/63/466831963.db2.gz XUFTZCRUZPLZTE-AWEZNQCLSA-N 2 2 328.464 2.290 10 0 EEAELP CCc1nnc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1C ZINC000370306860 466831968 /nfs/dbraw/zinc/83/19/68/466831968.db2.gz XUFTZCRUZPLZTE-AWEZNQCLSA-N 2 2 328.464 2.290 10 0 EEAELP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418450098 467113162 /nfs/dbraw/zinc/11/31/62/467113162.db2.gz UMTMMDXZHCVRDN-JKSUJKDBSA-N 2 2 347.507 2.482 10 0 EEAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378097057 467196347 /nfs/dbraw/zinc/19/63/47/467196347.db2.gz OTRGGUUGVARYSU-OAHLLOKOSA-N 2 2 345.491 2.363 10 0 EEAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378097057 467196351 /nfs/dbraw/zinc/19/63/51/467196351.db2.gz OTRGGUUGVARYSU-OAHLLOKOSA-N 2 2 345.491 2.363 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428531340 467243156 /nfs/dbraw/zinc/24/31/56/467243156.db2.gz CTAPXLWSADFIHD-XNRPHZJLSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428531340 467243160 /nfs/dbraw/zinc/24/31/60/467243160.db2.gz CTAPXLWSADFIHD-XNRPHZJLSA-N 2 2 341.293 2.140 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266387 467399013 /nfs/dbraw/zinc/39/90/13/467399013.db2.gz PVEPJUOLWQKHOZ-OWCLPIDISA-N 2 2 341.496 2.085 10 0 EEAELP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000389266387 467399017 /nfs/dbraw/zinc/39/90/17/467399017.db2.gz PVEPJUOLWQKHOZ-OWCLPIDISA-N 2 2 341.496 2.085 10 0 EEAELP CC1=C[C@H](C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430283834 467417749 /nfs/dbraw/zinc/41/77/49/467417749.db2.gz LKEPJVRXQQPADK-INIZCTEOSA-N 2 2 328.460 2.018 10 0 EEAELP CC1=C[C@H](C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430283834 467417751 /nfs/dbraw/zinc/41/77/51/467417751.db2.gz LKEPJVRXQQPADK-INIZCTEOSA-N 2 2 328.460 2.018 10 0 EEAELP O=c1[nH]ccc2c1C[N@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420924739 467516069 /nfs/dbraw/zinc/51/60/69/467516069.db2.gz UKIVEJOWVGMHQT-UHFFFAOYSA-N 2 2 339.439 2.178 10 0 EEAELP O=c1[nH]ccc2c1C[N@@H+](Cc1cccc(C[NH+]3CCOCC3)c1)CC2 ZINC000420924739 467516072 /nfs/dbraw/zinc/51/60/72/467516072.db2.gz UKIVEJOWVGMHQT-UHFFFAOYSA-N 2 2 339.439 2.178 10 0 EEAELP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000458759323 467893073 /nfs/dbraw/zinc/89/30/73/467893073.db2.gz GAHMLJLZOMZXHP-MAUKXSAKSA-N 2 2 343.475 2.262 10 0 EEAELP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000458759327 467893387 /nfs/dbraw/zinc/89/33/87/467893387.db2.gz GAHMLJLZOMZXHP-YJBOKZPZSA-N 2 2 343.475 2.262 10 0 EEAELP c1cn(-c2csc(C[N@H+]3CC[C@H](Nc4ncccn4)C3)c2)c[nH+]1 ZINC000519403202 468159277 /nfs/dbraw/zinc/15/92/77/468159277.db2.gz YXMQDQDXPKSLLA-ZDUSSCGKSA-N 2 2 326.429 2.410 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567653777 468176697 /nfs/dbraw/zinc/17/66/97/468176697.db2.gz VRMYRGBEKKNBMJ-GDBMZVCRSA-N 2 2 339.842 2.470 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000567653777 468176703 /nfs/dbraw/zinc/17/67/03/468176703.db2.gz VRMYRGBEKKNBMJ-GDBMZVCRSA-N 2 2 339.842 2.470 10 0 EEAELP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000567849014 468222362 /nfs/dbraw/zinc/22/23/62/468222362.db2.gz IVUYRVORBYABDW-HKUYNNGSSA-N 2 2 333.451 2.201 10 0 EEAELP C[C@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000567849014 468222366 /nfs/dbraw/zinc/22/23/66/468222366.db2.gz IVUYRVORBYABDW-HKUYNNGSSA-N 2 2 333.451 2.201 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570824985 468699515 /nfs/dbraw/zinc/69/95/15/468699515.db2.gz RZGCGSYGCVGQTP-AEFFLSMTSA-N 2 2 329.488 2.355 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+]1CC(C)(C)C1 ZINC000570824985 468699519 /nfs/dbraw/zinc/69/95/19/468699519.db2.gz RZGCGSYGCVGQTP-AEFFLSMTSA-N 2 2 329.488 2.355 10 0 EEAELP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000594923297 468722734 /nfs/dbraw/zinc/72/27/34/468722734.db2.gz IKIHRPQDJDBCTD-HYVNUMGLSA-N 2 2 331.460 2.356 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cn1C ZINC000571246058 468759079 /nfs/dbraw/zinc/75/90/79/468759079.db2.gz GIDFMTZCRGJYMC-OAHLLOKOSA-N 2 2 342.443 2.334 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cn1C ZINC000571246058 468759082 /nfs/dbraw/zinc/75/90/82/468759082.db2.gz GIDFMTZCRGJYMC-OAHLLOKOSA-N 2 2 342.443 2.334 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584124156 468804175 /nfs/dbraw/zinc/80/41/75/468804175.db2.gz VQNOIKLBBDXBLS-XVTSOASTSA-N 2 2 333.451 2.376 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584124156 468804179 /nfs/dbraw/zinc/80/41/79/468804179.db2.gz VQNOIKLBBDXBLS-XVTSOASTSA-N 2 2 333.451 2.376 10 0 EEAELP Cc1cc(C)cc(C[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000571983745 468866713 /nfs/dbraw/zinc/86/67/13/468866713.db2.gz HKSMDFYXXRSZJX-UHFFFAOYSA-N 2 2 339.487 2.477 10 0 EEAELP Cc1cc(C)cc(C[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000571983745 468866717 /nfs/dbraw/zinc/86/67/17/468866717.db2.gz HKSMDFYXXRSZJX-UHFFFAOYSA-N 2 2 339.487 2.477 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000573110703 469064124 /nfs/dbraw/zinc/06/41/24/469064124.db2.gz CQBHDOSCEPOVKZ-MRXNPFEDSA-N 2 2 339.867 2.369 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000573110703 469064128 /nfs/dbraw/zinc/06/41/28/469064128.db2.gz CQBHDOSCEPOVKZ-MRXNPFEDSA-N 2 2 339.867 2.369 10 0 EEAELP CCc1oc(C(=O)OC)cc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906560 469075385 /nfs/dbraw/zinc/07/53/85/469075385.db2.gz KWYKNCHDWNEWAT-OAHLLOKOSA-N 2 2 338.448 2.171 10 0 EEAELP CCc1oc(C(=O)OC)cc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906560 469075390 /nfs/dbraw/zinc/07/53/90/469075390.db2.gz KWYKNCHDWNEWAT-OAHLLOKOSA-N 2 2 338.448 2.171 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000593667024 469084730 /nfs/dbraw/zinc/08/47/30/469084730.db2.gz RKYZTBXIKVBISJ-LJQANCHMSA-N 2 2 338.492 2.199 10 0 EEAELP Cc1ccc(F)c(NC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604209823 469464334 /nfs/dbraw/zinc/46/43/34/469464334.db2.gz SCTPYXDJSBXVDT-CQSZACIVSA-N 2 2 334.439 2.424 10 0 EEAELP Cc1ccc(F)c(NC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000604209823 469464337 /nfs/dbraw/zinc/46/43/37/469464337.db2.gz SCTPYXDJSBXVDT-CQSZACIVSA-N 2 2 334.439 2.424 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000629390614 469530101 /nfs/dbraw/zinc/53/01/01/469530101.db2.gz UZTVHUPWCLRNNT-QWHCGFSZSA-N 2 2 341.249 2.450 10 0 EEAELP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1ccc(Cl)cc1 ZINC000629520721 469571669 /nfs/dbraw/zinc/57/16/69/469571669.db2.gz HMSXDDMFSKQZDC-LBPRGKRZSA-N 2 2 349.866 2.388 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629540285 469574056 /nfs/dbraw/zinc/57/40/56/469574056.db2.gz VJTHICIMYPTGRI-MELADBBJSA-N 2 2 335.448 2.151 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592875 469588122 /nfs/dbraw/zinc/58/81/22/469588122.db2.gz FVPAOVAEFGKGGL-FFZOFVMBSA-N 2 2 329.488 2.273 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629592875 469588126 /nfs/dbraw/zinc/58/81/26/469588126.db2.gz FVPAOVAEFGKGGL-FFZOFVMBSA-N 2 2 329.488 2.273 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623445426 469658657 /nfs/dbraw/zinc/65/86/57/469658657.db2.gz QVEWCZSCLGOFKK-LSDHHAIUSA-N 2 2 331.460 2.263 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000623445426 469658660 /nfs/dbraw/zinc/65/86/60/469658660.db2.gz QVEWCZSCLGOFKK-LSDHHAIUSA-N 2 2 331.460 2.263 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000619771153 469679161 /nfs/dbraw/zinc/67/91/61/469679161.db2.gz ROEMXMVICFNUJE-KBPBESRZSA-N 2 2 335.448 2.105 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000619771153 469679162 /nfs/dbraw/zinc/67/91/62/469679162.db2.gz ROEMXMVICFNUJE-KBPBESRZSA-N 2 2 335.448 2.105 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[NH2+]1 ZINC000626926577 469756980 /nfs/dbraw/zinc/75/69/80/469756980.db2.gz BIYZIRISLJBPEQ-KCXAZCMYSA-N 2 2 345.422 2.088 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000617766419 469797223 /nfs/dbraw/zinc/79/72/23/469797223.db2.gz JNSMHJBEMLWFIO-LSDHHAIUSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000617766419 469797227 /nfs/dbraw/zinc/79/72/27/469797227.db2.gz JNSMHJBEMLWFIO-LSDHHAIUSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(-n2cccc2)cc1 ZINC000617768143 469798556 /nfs/dbraw/zinc/79/85/56/469798556.db2.gz QPBZEWAXJUWFCX-UHFFFAOYSA-N 2 2 328.460 2.091 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(-n2cccc2)cc1 ZINC000617768143 469798559 /nfs/dbraw/zinc/79/85/59/469798559.db2.gz QPBZEWAXJUWFCX-UHFFFAOYSA-N 2 2 328.460 2.091 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000617767952 469798780 /nfs/dbraw/zinc/79/87/80/469798780.db2.gz JJOIVQLXVDHHCX-UHFFFAOYSA-N 2 2 337.895 2.371 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2cccc(Cl)c2)CC1 ZINC000617767952 469798784 /nfs/dbraw/zinc/79/87/84/469798784.db2.gz JJOIVQLXVDHHCX-UHFFFAOYSA-N 2 2 337.895 2.371 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1c(F)cccc1Cl ZINC000617768655 469799383 /nfs/dbraw/zinc/79/93/83/469799383.db2.gz OJWZJFIPHRKPFG-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1c(F)cccc1Cl ZINC000617768655 469799385 /nfs/dbraw/zinc/79/93/85/469799385.db2.gz OJWZJFIPHRKPFG-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP COc1cc2ccccc2cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768539 469799389 /nfs/dbraw/zinc/79/93/89/469799389.db2.gz IKHRXPZWGQPGJI-UHFFFAOYSA-N 2 2 343.471 2.462 10 0 EEAELP COc1cc2ccccc2cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768539 469799391 /nfs/dbraw/zinc/79/93/91/469799391.db2.gz IKHRXPZWGQPGJI-UHFFFAOYSA-N 2 2 343.471 2.462 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@H+](CC)C1 ZINC000617924222 469839601 /nfs/dbraw/zinc/83/96/01/469839601.db2.gz QCLUJMJFUUZWAS-OLZOCXBDSA-N 2 2 346.397 2.399 10 0 EEAELP CCN(C(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@@H+](CC)C1 ZINC000617924222 469839604 /nfs/dbraw/zinc/83/96/04/469839604.db2.gz QCLUJMJFUUZWAS-OLZOCXBDSA-N 2 2 346.397 2.399 10 0 EEAELP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614098193 469852780 /nfs/dbraw/zinc/85/27/80/469852780.db2.gz QLKRHXIOUIWRBF-ZWKOTPCHSA-N 2 2 342.418 2.190 10 0 EEAELP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000630842404 470009322 /nfs/dbraw/zinc/00/93/22/470009322.db2.gz SZKHPOAGGBZNQN-KRWDZBQOSA-N 2 2 326.444 2.261 10 0 EEAELP CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000630842404 470009324 /nfs/dbraw/zinc/00/93/24/470009324.db2.gz SZKHPOAGGBZNQN-KRWDZBQOSA-N 2 2 326.444 2.261 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(C(F)F)CCC3)CC2)CC1 ZINC000630863166 470015486 /nfs/dbraw/zinc/01/54/86/470015486.db2.gz RRZIXZXLRDCERI-UHFFFAOYSA-N 2 2 329.435 2.097 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631062274 470060978 /nfs/dbraw/zinc/06/09/78/470060978.db2.gz RYMOLAGNMWJHNC-GOSISDBHSA-N 2 2 347.503 2.364 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631062274 470060980 /nfs/dbraw/zinc/06/09/80/470060980.db2.gz RYMOLAGNMWJHNC-GOSISDBHSA-N 2 2 347.503 2.364 10 0 EEAELP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631115690 470072952 /nfs/dbraw/zinc/07/29/52/470072952.db2.gz XWAYTOJHAJRYST-KRWDZBQOSA-N 2 2 349.523 2.449 10 0 EEAELP CCOc1cncc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000621715488 470097960 /nfs/dbraw/zinc/09/79/60/470097960.db2.gz WLCMACZYBUYTMI-GOSISDBHSA-N 2 2 332.492 2.082 10 0 EEAELP CCOc1cncc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000621715488 470097962 /nfs/dbraw/zinc/09/79/62/470097962.db2.gz WLCMACZYBUYTMI-GOSISDBHSA-N 2 2 332.492 2.082 10 0 EEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NC1(C[NH3+])CCCCC1 ZINC000632923580 470287882 /nfs/dbraw/zinc/28/78/82/470287882.db2.gz RDNQFMPVLSLSMQ-UHFFFAOYSA-N 2 2 347.463 2.010 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634979143 470390775 /nfs/dbraw/zinc/39/07/75/470390775.db2.gz WOFDURLKBHCMNA-MSOLQXFVSA-N 2 2 336.501 2.065 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634979143 470390782 /nfs/dbraw/zinc/39/07/82/470390782.db2.gz WOFDURLKBHCMNA-MSOLQXFVSA-N 2 2 336.501 2.065 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)NC/C=C\C[NH3+] ZINC000641870137 470505674 /nfs/dbraw/zinc/50/56/74/470505674.db2.gz PLNCJVDYIWQMHL-XVWMLYKFSA-N 2 2 327.432 2.034 10 0 EEAELP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000642010440 470516525 /nfs/dbraw/zinc/51/65/25/470516525.db2.gz NJKMFPHHDJNZIH-OWCLPIDISA-N 2 2 345.491 2.236 10 0 EEAELP C[N@@H+]1CCc2[nH]c3ccc(C(=O)N4CC[NH+](C5CC5)CC4)cc3c2C1 ZINC000646775753 470733401 /nfs/dbraw/zinc/73/34/01/470733401.db2.gz RVPWHDBWZWUVNS-UHFFFAOYSA-N 2 2 338.455 2.076 10 0 EEAELP C[N@H+]1CCc2[nH]c3ccc(C(=O)N4CC[NH+](C5CC5)CC4)cc3c2C1 ZINC000646775753 470733409 /nfs/dbraw/zinc/73/34/09/470733409.db2.gz RVPWHDBWZWUVNS-UHFFFAOYSA-N 2 2 338.455 2.076 10 0 EEAELP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000647502815 470916015 /nfs/dbraw/zinc/91/60/15/470916015.db2.gz KJYYFHUYNVEFCB-IBGZPJMESA-N 3 2 329.488 2.488 10 0 EEAELP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000647502815 470916023 /nfs/dbraw/zinc/91/60/23/470916023.db2.gz KJYYFHUYNVEFCB-IBGZPJMESA-N 3 2 329.488 2.488 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899785 471011056 /nfs/dbraw/zinc/01/10/56/471011056.db2.gz WGTOKCJUOXVYBB-YJBOKZPZSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647899785 471011058 /nfs/dbraw/zinc/01/10/58/471011058.db2.gz WGTOKCJUOXVYBB-YJBOKZPZSA-N 2 2 344.459 2.048 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903664 471013213 /nfs/dbraw/zinc/01/32/13/471013213.db2.gz NXIGNPDPOLLBSC-PKOBYXMFSA-N 2 2 345.487 2.166 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647903664 471013216 /nfs/dbraw/zinc/01/32/16/471013216.db2.gz NXIGNPDPOLLBSC-PKOBYXMFSA-N 2 2 345.487 2.166 10 0 EEAELP CC[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)CO1 ZINC000657331360 471100434 /nfs/dbraw/zinc/10/04/34/471100434.db2.gz ZUUQOVIDOVAHFR-MSOLQXFVSA-N 2 2 334.460 2.055 10 0 EEAELP C[NH+](C)CCN1CCN(c2cc[nH+]c3c(Cl)cccc23)CC1=O ZINC000651383176 471153971 /nfs/dbraw/zinc/15/39/71/471153971.db2.gz NCXPNXVXPPJIBF-UHFFFAOYSA-N 2 2 332.835 2.098 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000657573682 471173037 /nfs/dbraw/zinc/17/30/37/471173037.db2.gz OMDRFORDJLFRGZ-DYXWJJEUSA-N 3 2 346.563 2.369 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000657573682 471173041 /nfs/dbraw/zinc/17/30/41/471173041.db2.gz OMDRFORDJLFRGZ-DYXWJJEUSA-N 3 2 346.563 2.369 10 0 EEAELP CCn1c[nH+]cc1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000651946596 471180065 /nfs/dbraw/zinc/18/00/65/471180065.db2.gz OWCIJSDEOKFXKM-WOJBJXKFSA-N 2 2 340.471 2.378 10 0 EEAELP CCn1c[nH+]cc1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000651946596 471180068 /nfs/dbraw/zinc/18/00/68/471180068.db2.gz OWCIJSDEOKFXKM-WOJBJXKFSA-N 2 2 340.471 2.378 10 0 EEAELP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658114659 471267094 /nfs/dbraw/zinc/26/70/94/471267094.db2.gz KZXSAYCRNZVYEQ-RLLQIKCJSA-N 2 2 347.503 2.202 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000652514480 471303516 /nfs/dbraw/zinc/30/35/16/471303516.db2.gz BVNSCTKYSUILIR-UHFFFAOYSA-N 2 2 342.447 2.206 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000655686851 471443506 /nfs/dbraw/zinc/44/35/06/471443506.db2.gz QTNGPYHSZAFHNR-WBVHZDCISA-N 2 2 347.507 2.299 10 0 EEAELP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655776117 471477609 /nfs/dbraw/zinc/47/76/09/471477609.db2.gz ICPIAYNJXWBJTB-MJGOQNOKSA-N 2 2 333.451 2.247 10 0 EEAELP CO[C@](C)(CO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000655786040 471483166 /nfs/dbraw/zinc/48/31/66/471483166.db2.gz NSOQEZQYKDIHQH-KRWDZBQOSA-N 2 2 326.868 2.291 10 0 EEAELP C[C@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@H]1C[N@H+](C)CCO1 ZINC000656149062 471606723 /nfs/dbraw/zinc/60/67/23/471606723.db2.gz SQDKRLDXQJLECG-LSDHHAIUSA-N 2 2 333.480 2.234 10 0 EEAELP C[C@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@H]1C[N@@H+](C)CCO1 ZINC000656149062 471606731 /nfs/dbraw/zinc/60/67/31/471606731.db2.gz SQDKRLDXQJLECG-LSDHHAIUSA-N 2 2 333.480 2.234 10 0 EEAELP CCc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1OC ZINC000667204249 471693870 /nfs/dbraw/zinc/69/38/70/471693870.db2.gz LTTGNXBURYRHHL-UHFFFAOYSA-N 2 2 336.480 2.263 10 0 EEAELP CCc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1OC ZINC000667204249 471693873 /nfs/dbraw/zinc/69/38/73/471693873.db2.gz LTTGNXBURYRHHL-UHFFFAOYSA-N 2 2 336.480 2.263 10 0 EEAELP CC[N@@H+]1CCO[C@@H](CNc2[nH]c3ccccc3[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000664314597 471715733 /nfs/dbraw/zinc/71/57/33/471715733.db2.gz MQKMHKKQWHMHGY-IRXDYDNUSA-N 2 2 340.431 2.170 10 0 EEAELP CC[N@H+]1CCO[C@@H](CNc2[nH]c3ccccc3[nH+]2)[C@@H]1c1cnn(C)c1 ZINC000664314597 471715737 /nfs/dbraw/zinc/71/57/37/471715737.db2.gz MQKMHKKQWHMHGY-IRXDYDNUSA-N 2 2 340.431 2.170 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(Cl)cc1F ZINC000664714677 471842205 /nfs/dbraw/zinc/84/22/05/471842205.db2.gz XAFITFAZUBOZSB-UHFFFAOYSA-N 2 2 344.862 2.162 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(Cl)cc1F ZINC000664714677 471842209 /nfs/dbraw/zinc/84/22/09/471842209.db2.gz XAFITFAZUBOZSB-UHFFFAOYSA-N 2 2 344.862 2.162 10 0 EEAELP CCn1cc[nH+]c1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000656790707 471843346 /nfs/dbraw/zinc/84/33/46/471843346.db2.gz KXVBVWACNBUCSA-GDBMZVCRSA-N 2 2 332.423 2.286 10 0 EEAELP O=C([C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)N1CCCC1 ZINC000667630494 471850074 /nfs/dbraw/zinc/85/00/74/471850074.db2.gz FNVRNGNGRWWFAV-INIZCTEOSA-N 2 2 339.443 2.102 10 0 EEAELP O=C([C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)N1CCCC1 ZINC000667630494 471850079 /nfs/dbraw/zinc/85/00/79/471850079.db2.gz FNVRNGNGRWWFAV-INIZCTEOSA-N 2 2 339.443 2.102 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000654369517 471931070 /nfs/dbraw/zinc/93/10/70/471931070.db2.gz PNOUAJZXPUFZEL-IYBDPMFKSA-N 2 2 333.480 2.067 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000662092580 471982548 /nfs/dbraw/zinc/98/25/48/471982548.db2.gz QWEYVNCRXYWOTR-ZBFHGGJFSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000662092580 471982554 /nfs/dbraw/zinc/98/25/54/471982554.db2.gz QWEYVNCRXYWOTR-ZBFHGGJFSA-N 2 2 327.432 2.055 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2cnn(C)c2)cc1F ZINC000665258764 471982812 /nfs/dbraw/zinc/98/28/12/471982812.db2.gz KYWXRJJYWVHAKE-PVUWLOKVSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1[nH+]ccn1C ZINC000662093760 471982949 /nfs/dbraw/zinc/98/29/49/471982949.db2.gz XKIBYTXUHLHNGO-JKSUJKDBSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1[nH+]ccn1C ZINC000662093760 471982955 /nfs/dbraw/zinc/98/29/55/471982955.db2.gz XKIBYTXUHLHNGO-JKSUJKDBSA-N 2 2 341.459 2.397 10 0 EEAELP CC1(C)C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCOC2)O1 ZINC000668096728 472006926 /nfs/dbraw/zinc/00/69/26/472006926.db2.gz PEWIVDUXHJVLFO-GOSISDBHSA-N 2 2 328.416 2.037 10 0 EEAELP CC1(C)C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCOC2)O1 ZINC000668096728 472006931 /nfs/dbraw/zinc/00/69/31/472006931.db2.gz PEWIVDUXHJVLFO-GOSISDBHSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662315329 472067029 /nfs/dbraw/zinc/06/70/29/472067029.db2.gz DYDQBBIRJJVRDP-BDXSIMOUSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662315329 472067032 /nfs/dbraw/zinc/06/70/32/472067032.db2.gz DYDQBBIRJJVRDP-BDXSIMOUSA-N 2 2 339.524 2.112 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000662455424 472114734 /nfs/dbraw/zinc/11/47/34/472114734.db2.gz YTLDBDAMXBDMBD-LRDDRELGSA-N 2 2 325.403 2.043 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000662455424 472114740 /nfs/dbraw/zinc/11/47/40/472114740.db2.gz YTLDBDAMXBDMBD-LRDDRELGSA-N 2 2 325.403 2.043 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662536938 472144156 /nfs/dbraw/zinc/14/41/56/472144156.db2.gz UZWSDCQMPMTBLN-YOEHRIQHSA-N 2 2 343.393 2.353 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C[NH2+]C(C)C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662536938 472144160 /nfs/dbraw/zinc/14/41/60/472144160.db2.gz UZWSDCQMPMTBLN-YOEHRIQHSA-N 2 2 343.393 2.353 10 0 EEAELP CN(c1ccccc1C[N@H+](C)CC1C[NH+](C)C1)C1CC[NH+](C)CC1 ZINC000668540142 472165453 /nfs/dbraw/zinc/16/54/53/472165453.db2.gz XQLUHHHXAXKXIK-UHFFFAOYSA-N 3 2 330.520 2.210 10 0 EEAELP CN(c1ccccc1C[N@@H+](C)CC1C[NH+](C)C1)C1CC[NH+](C)CC1 ZINC000668540142 472165456 /nfs/dbraw/zinc/16/54/56/472165456.db2.gz XQLUHHHXAXKXIK-UHFFFAOYSA-N 3 2 330.520 2.210 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000668785611 472267304 /nfs/dbraw/zinc/26/73/04/472267304.db2.gz SXOMCZXHNMLUIJ-SFHVURJKSA-N 2 2 332.492 2.224 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000668785611 472267310 /nfs/dbraw/zinc/26/73/10/472267310.db2.gz SXOMCZXHNMLUIJ-SFHVURJKSA-N 2 2 332.492 2.224 10 0 EEAELP C[C@@H](CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1)N1CC[NH+](C)CC1 ZINC000656116875 485559943 /nfs/dbraw/zinc/55/99/43/485559943.db2.gz AYNUBLUHMQJAJR-INIZCTEOSA-N 2 2 346.523 2.151 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cscc1Cl ZINC000631276248 485780922 /nfs/dbraw/zinc/78/09/22/485780922.db2.gz MPDVNDKUIXOLCJ-UHFFFAOYSA-N 2 2 329.897 2.500 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cscc1Cl ZINC000631276248 485780926 /nfs/dbraw/zinc/78/09/26/485780926.db2.gz MPDVNDKUIXOLCJ-UHFFFAOYSA-N 2 2 329.897 2.500 10 0 EEAELP C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000684184675 485794537 /nfs/dbraw/zinc/79/45/37/485794537.db2.gz SZLWTJMVGREHQC-LZQZEXGQSA-N 2 2 345.462 2.078 10 0 EEAELP C[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1)[N@H+]1CCc2ccccc2C1 ZINC000684184675 485794539 /nfs/dbraw/zinc/79/45/39/485794539.db2.gz SZLWTJMVGREHQC-LZQZEXGQSA-N 2 2 345.462 2.078 10 0 EEAELP C[C@@H]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000679762123 485807962 /nfs/dbraw/zinc/80/79/62/485807962.db2.gz OUHZJGYPIUWMIN-HLIPFELVSA-N 2 2 348.535 2.377 10 0 EEAELP C[C@@H]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000679762123 485807970 /nfs/dbraw/zinc/80/79/70/485807970.db2.gz OUHZJGYPIUWMIN-HLIPFELVSA-N 2 2 348.535 2.377 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2noc3c2CCCC3)CC1 ZINC000684628216 485946318 /nfs/dbraw/zinc/94/63/18/485946318.db2.gz MSNWFGLEBCVXCP-UHFFFAOYSA-N 2 2 328.416 2.279 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000675767976 486064807 /nfs/dbraw/zinc/06/48/07/486064807.db2.gz VEJRPNBMZDMLHL-BBRMVZONSA-N 2 2 325.478 2.193 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000675767976 486064813 /nfs/dbraw/zinc/06/48/13/486064813.db2.gz VEJRPNBMZDMLHL-BBRMVZONSA-N 2 2 325.478 2.193 10 0 EEAELP CN(Cc1cn2cccc(F)c2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457298 486124294 /nfs/dbraw/zinc/12/42/94/486124294.db2.gz AEPWIKYJNBDZIH-QGZVFWFLSA-N 2 2 345.466 2.074 10 0 EEAELP CN(Cc1cn2cccc(F)c2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457298 486124299 /nfs/dbraw/zinc/12/42/99/486124299.db2.gz AEPWIKYJNBDZIH-QGZVFWFLSA-N 2 2 345.466 2.074 10 0 EEAELP C[N@H+](Cc1cn2cccc(F)c2n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457298 486124307 /nfs/dbraw/zinc/12/43/07/486124307.db2.gz AEPWIKYJNBDZIH-QGZVFWFLSA-N 2 2 345.466 2.074 10 0 EEAELP C[N@@H+](Cc1cn2cccc(F)c2n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457298 486124312 /nfs/dbraw/zinc/12/43/12/486124312.db2.gz AEPWIKYJNBDZIH-QGZVFWFLSA-N 2 2 345.466 2.074 10 0 EEAELP Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000681695682 486307809 /nfs/dbraw/zinc/30/78/09/486307809.db2.gz JVFZLEGDNFOZPL-IAGOWNOFSA-N 2 2 334.485 2.172 10 0 EEAELP Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000681695682 486307810 /nfs/dbraw/zinc/30/78/10/486307810.db2.gz JVFZLEGDNFOZPL-IAGOWNOFSA-N 2 2 334.485 2.172 10 0 EEAELP CN(C(=O)c1scnc1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677669960 486473529 /nfs/dbraw/zinc/47/35/29/486473529.db2.gz SNRFQSGGZKHFGV-OAHLLOKOSA-N 2 2 348.516 2.261 10 0 EEAELP CN(C(=O)c1scnc1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677669960 486473538 /nfs/dbraw/zinc/47/35/38/486473538.db2.gz SNRFQSGGZKHFGV-OAHLLOKOSA-N 2 2 348.516 2.261 10 0 EEAELP O=S1(=O)CC[C@H](CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000677681528 486475570 /nfs/dbraw/zinc/47/55/70/486475570.db2.gz JEAVFVYSWJOPPI-ZWKOTPCHSA-N 2 2 342.549 2.399 10 0 EEAELP O=S1(=O)CC[C@H](CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000677681528 486475575 /nfs/dbraw/zinc/47/55/75/486475575.db2.gz JEAVFVYSWJOPPI-ZWKOTPCHSA-N 2 2 342.549 2.399 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000171619692 529132632 /nfs/dbraw/zinc/13/26/32/529132632.db2.gz MVJYRQLSVJGLRO-HNNXBMFYSA-N 2 2 340.471 2.079 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000171619692 529132634 /nfs/dbraw/zinc/13/26/34/529132634.db2.gz MVJYRQLSVJGLRO-HNNXBMFYSA-N 2 2 340.471 2.079 10 0 EEAELP CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000753951295 577797380 /nfs/dbraw/zinc/79/73/80/577797380.db2.gz UXUNLMJZPGVBRU-RBUKOAKNSA-N 2 2 346.471 2.303 10 0 EEAELP CC(C)[N@H+]1CCO[C@H](COC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000753951295 577797381 /nfs/dbraw/zinc/79/73/81/577797381.db2.gz UXUNLMJZPGVBRU-RBUKOAKNSA-N 2 2 346.471 2.303 10 0 EEAELP CC(C)[NH+]1CCO[C@H](COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000753951295 577797382 /nfs/dbraw/zinc/79/73/82/577797382.db2.gz UXUNLMJZPGVBRU-RBUKOAKNSA-N 2 2 346.471 2.303 10 0 EEAELP CC(C)[NH+]1CCO[C@H](COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000753951295 577797383 /nfs/dbraw/zinc/79/73/83/577797383.db2.gz UXUNLMJZPGVBRU-RBUKOAKNSA-N 2 2 346.471 2.303 10 0 EEAELP C[NH+](C)CCOc1ccc(CCC(=O)OCc2ccc[nH+]c2N)cc1 ZINC000924384389 676878474 /nfs/dbraw/zinc/87/84/74/676878474.db2.gz WLERCIOWPSZXQV-UHFFFAOYSA-N 2 2 343.427 2.280 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000162766967 682040546 /nfs/dbraw/zinc/04/05/46/682040546.db2.gz FAZHURKRBVWTTA-IAGOWNOFSA-N 2 2 346.475 2.480 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000162766967 682040554 /nfs/dbraw/zinc/04/05/54/682040554.db2.gz FAZHURKRBVWTTA-IAGOWNOFSA-N 2 2 346.475 2.480 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+](CCc3nc4ccccc4c(=O)[nH]3)C[C@]2(C)C1 ZINC000931308916 684948759 /nfs/dbraw/zinc/94/87/59/684948759.db2.gz XXNOHRLFUGNCQN-KDURUIRLSA-N 2 2 326.444 2.152 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+](CCc3nc4ccccc4c(=O)[nH]3)C[C@]2(C)C1 ZINC000931308916 684948760 /nfs/dbraw/zinc/94/87/60/684948760.db2.gz XXNOHRLFUGNCQN-KDURUIRLSA-N 2 2 326.444 2.152 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+](CCc3nc4ccccc4c(=O)[nH]3)C[C@]2(C)C1 ZINC000931308916 684948761 /nfs/dbraw/zinc/94/87/61/684948761.db2.gz XXNOHRLFUGNCQN-KDURUIRLSA-N 2 2 326.444 2.152 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+](CCc3nc4ccccc4c(=O)[nH]3)C[C@]2(C)C1 ZINC000931308916 684948763 /nfs/dbraw/zinc/94/87/63/684948763.db2.gz XXNOHRLFUGNCQN-KDURUIRLSA-N 2 2 326.444 2.152 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](C)Cc3c[nH]c[nH+]3)C2)sn1 ZINC001485699187 1191904438 /nfs/dbraw/zinc/90/44/38/1191904438.db2.gz MCWUVVWYLDDMMJ-MRVWCRGKSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H](C)Cc3c[nH+]c[nH]3)C2)sn1 ZINC001485699187 1191904440 /nfs/dbraw/zinc/90/44/40/1191904440.db2.gz MCWUVVWYLDDMMJ-MRVWCRGKSA-N 2 2 347.488 2.038 10 0 EEAELP C[C@@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485727024 1191912030 /nfs/dbraw/zinc/91/20/30/1191912030.db2.gz ITMYXGIGBLNLMX-RYUDHWBXSA-N 2 2 341.393 2.246 10 0 EEAELP C[C@@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001485727024 1191912031 /nfs/dbraw/zinc/91/20/31/1191912031.db2.gz ITMYXGIGBLNLMX-RYUDHWBXSA-N 2 2 341.393 2.246 10 0 EEAELP Cc1cnc(C[N@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)s1 ZINC001266488067 1176624156 /nfs/dbraw/zinc/62/41/56/1176624156.db2.gz BQOTUOYYFYLNLB-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1cnc(C[N@@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)s1 ZINC001266488067 1176624163 /nfs/dbraw/zinc/62/41/63/1176624163.db2.gz BQOTUOYYFYLNLB-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001671322727 1176760976 /nfs/dbraw/zinc/76/09/76/1176760976.db2.gz RWIHICNPYYRDLL-LBPRGKRZSA-N 2 2 340.349 2.481 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001670692534 1177001629 /nfs/dbraw/zinc/00/16/29/1177001629.db2.gz UMLBTNSOAIXWPR-MJSXRHKHSA-N 2 2 346.475 2.431 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001670692534 1177001637 /nfs/dbraw/zinc/00/16/37/1177001637.db2.gz UMLBTNSOAIXWPR-MJSXRHKHSA-N 2 2 346.475 2.431 10 0 EEAELP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266731288 1177317848 /nfs/dbraw/zinc/31/78/48/1177317848.db2.gz YREIVIDLFWQDHP-HUUCEWRRSA-N 2 2 332.835 2.415 10 0 EEAELP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266731288 1177317857 /nfs/dbraw/zinc/31/78/57/1177317857.db2.gz YREIVIDLFWQDHP-HUUCEWRRSA-N 2 2 332.835 2.415 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691048599 1177320242 /nfs/dbraw/zinc/32/02/42/1177320242.db2.gz UUZNDVQWFPCCRN-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691048599 1177320251 /nfs/dbraw/zinc/32/02/51/1177320251.db2.gz UUZNDVQWFPCCRN-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001691296982 1177847498 /nfs/dbraw/zinc/84/74/98/1177847498.db2.gz BIPRDYAXUQANKQ-DOTOQJQBSA-N 2 2 332.492 2.389 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CCOCC3CCC3)ccn12 ZINC001266940010 1177855011 /nfs/dbraw/zinc/85/50/11/1177855011.db2.gz SPKIYHUWAXTNNH-CQSZACIVSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)on1 ZINC001691305735 1177869911 /nfs/dbraw/zinc/86/99/11/1177869911.db2.gz OTDSEFZKSJLQFO-GUYCJALGSA-N 2 2 345.447 2.056 10 0 EEAELP CCCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267047903 1178146593 /nfs/dbraw/zinc/14/65/93/1178146593.db2.gz PZVYQWOFQKMGHT-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CCCCCF ZINC001267276314 1178660121 /nfs/dbraw/zinc/66/01/21/1178660121.db2.gz PJSGILPJSOQRMX-ARFHVFGLSA-N 2 2 336.455 2.244 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCCCCF ZINC001267276314 1178660127 /nfs/dbraw/zinc/66/01/27/1178660127.db2.gz PJSGILPJSOQRMX-ARFHVFGLSA-N 2 2 336.455 2.244 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]Cc3cncc(C)c3)ccn12 ZINC001481230196 1180364421 /nfs/dbraw/zinc/36/44/21/1180364421.db2.gz JEKQALXRVSTQQP-UHFFFAOYSA-N 2 2 337.427 2.208 10 0 EEAELP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC001267790171 1180535291 /nfs/dbraw/zinc/53/52/91/1180535291.db2.gz NKWGJDSUMIHIAA-QGZVFWFLSA-N 2 2 348.491 2.000 10 0 EEAELP CCN(C(=O)Cc1[nH]c[nH+]c1C)[C@@H]1CC[N@@H+](CCOCC2CCC2)C1 ZINC001267790171 1180535296 /nfs/dbraw/zinc/53/52/96/1180535296.db2.gz NKWGJDSUMIHIAA-QGZVFWFLSA-N 2 2 348.491 2.000 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001481463565 1181469723 /nfs/dbraw/zinc/46/97/23/1181469723.db2.gz HPKFOYBCHFIWOV-LSDHHAIUSA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001481463565 1181469727 /nfs/dbraw/zinc/46/97/27/1181469727.db2.gz HPKFOYBCHFIWOV-LSDHHAIUSA-N 2 2 340.418 2.147 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001481657353 1182146977 /nfs/dbraw/zinc/14/69/77/1182146977.db2.gz VUGNJRUCCRYWFT-AWEZNQCLSA-N 2 2 340.418 2.134 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCC(F)(F)F ZINC001481676760 1182191066 /nfs/dbraw/zinc/19/10/66/1182191066.db2.gz ZKEURCWSPLAYJT-KKUMJFAQSA-N 2 2 347.425 2.488 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCCC(F)(F)F ZINC001481676760 1182191070 /nfs/dbraw/zinc/19/10/70/1182191070.db2.gz ZKEURCWSPLAYJT-KKUMJFAQSA-N 2 2 347.425 2.488 10 0 EEAELP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC(F)(F)F ZINC001481676760 1182191074 /nfs/dbraw/zinc/19/10/74/1182191074.db2.gz ZKEURCWSPLAYJT-KKUMJFAQSA-N 2 2 347.425 2.488 10 0 EEAELP C[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCC(F)(F)F ZINC001481676760 1182191078 /nfs/dbraw/zinc/19/10/78/1182191078.db2.gz ZKEURCWSPLAYJT-KKUMJFAQSA-N 2 2 347.425 2.488 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@H](CC[NH2+]CCCF)C1 ZINC001481981536 1183075736 /nfs/dbraw/zinc/07/57/36/1183075736.db2.gz SCZGJNHTSDLQML-CVEARBPZSA-N 2 2 336.455 2.023 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)sn1 ZINC001268645762 1183575800 /nfs/dbraw/zinc/57/58/00/1183575800.db2.gz VJZLAQIVZVCWHE-GFCCVEGCSA-N 2 2 343.456 2.316 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001268776305 1183694359 /nfs/dbraw/zinc/69/43/59/1183694359.db2.gz PAVDNQBQQQLWRP-QZTJIDSGSA-N 2 2 340.471 2.460 10 0 EEAELP C[C@](C[NH2+]Cc1cccc(Cl)n1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001269644654 1184468688 /nfs/dbraw/zinc/46/86/88/1184468688.db2.gz HDRRVUXSQFXJEI-QGZVFWFLSA-N 2 2 347.850 2.075 10 0 EEAELP C/C(=C/C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](C)O2)CC1)C1CC1 ZINC001271905494 1186608265 /nfs/dbraw/zinc/60/82/65/1186608265.db2.gz RMXBCIHPQRZIJW-LCTVFKORSA-N 2 2 349.519 2.080 10 0 EEAELP CC/C(C)=C\C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC001271911260 1186613615 /nfs/dbraw/zinc/61/36/15/1186613615.db2.gz CNIXGGRMSJIQKU-BROZXCPCSA-N 2 2 337.508 2.082 10 0 EEAELP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272791323 1193500310 /nfs/dbraw/zinc/50/03/10/1193500310.db2.gz QGWLJVOTPNGYIM-RHSMWYFYSA-N 2 2 333.480 2.241 10 0 EEAELP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001272791323 1193500312 /nfs/dbraw/zinc/50/03/12/1193500312.db2.gz QGWLJVOTPNGYIM-RHSMWYFYSA-N 2 2 333.480 2.241 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2nc(C)c(C)o2)c[nH+]1 ZINC001482842339 1187761772 /nfs/dbraw/zinc/76/17/72/1187761772.db2.gz ALHRCFDQPLFIOV-LBPRGKRZSA-N 2 2 347.463 2.216 10 0 EEAELP CCN(CC[NH2+]Cc1cnccc1C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001482953158 1187880229 /nfs/dbraw/zinc/88/02/29/1187880229.db2.gz JFAWHTAKYTUFST-INIZCTEOSA-N 2 2 329.448 2.176 10 0 EEAELP CN(CC[NH2+]Cc1ccc2ccccc2c1)C(=O)Cc1c[nH+]cn1C ZINC001691556317 1188261458 /nfs/dbraw/zinc/26/14/58/1188261458.db2.gz UKZRNGUAFZKFFV-UHFFFAOYSA-N 2 2 336.439 2.364 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC1CC(C[NH2+]Cc2cccc(F)c2)C1 ZINC001409273527 1188532579 /nfs/dbraw/zinc/53/25/79/1188532579.db2.gz DRPZZEHUDXANSC-UHFFFAOYSA-N 2 2 344.434 2.487 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2nc(C)oc2C)c[nH+]1 ZINC001272852963 1193576853 /nfs/dbraw/zinc/57/68/53/1193576853.db2.gz DDVPZVYVHPRXAD-LBPRGKRZSA-N 2 2 347.463 2.216 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H](C)[NH2+]Cc3ocnc3C)ccn12 ZINC001485877806 1193624281 /nfs/dbraw/zinc/62/42/81/1193624281.db2.gz ZFXHVOGCAZRHRI-LBPRGKRZSA-N 2 2 341.415 2.189 10 0 EEAELP CCOCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001272262267 1189578761 /nfs/dbraw/zinc/57/87/61/1189578761.db2.gz OHDZQSNQLRPFQX-SJORKVTESA-N 2 2 344.459 2.167 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccsc1 ZINC001485895957 1193633009 /nfs/dbraw/zinc/63/30/09/1193633009.db2.gz WWDXQEBDIWRWRM-DZGCQCFKSA-N 2 2 332.473 2.144 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483653380 1190710226 /nfs/dbraw/zinc/71/02/26/1190710226.db2.gz QEKKECAGXUIWEZ-LIMHQNJXSA-N 2 2 330.476 2.309 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483653380 1190710227 /nfs/dbraw/zinc/71/02/27/1190710227.db2.gz QEKKECAGXUIWEZ-LIMHQNJXSA-N 2 2 330.476 2.309 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001272475278 1190840774 /nfs/dbraw/zinc/84/07/74/1190840774.db2.gz NZIXRSBOECXGAK-ROUUACIJSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001483949455 1191129092 /nfs/dbraw/zinc/12/90/92/1191129092.db2.gz CETPNVVGBILRPA-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001483952202 1191129632 /nfs/dbraw/zinc/12/96/32/1191129632.db2.gz HAPBZNVGLATHKY-JIGZGPPQSA-N 2 2 338.455 2.257 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccncc2Cl)C1 ZINC001484071647 1191192085 /nfs/dbraw/zinc/19/20/85/1191192085.db2.gz QTWUKVMCZLJQMV-QGZVFWFLSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccncc2Cl)C1 ZINC001484071647 1191192086 /nfs/dbraw/zinc/19/20/86/1191192086.db2.gz QTWUKVMCZLJQMV-QGZVFWFLSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@H+](Cc2ccncc2Cl)C1 ZINC001484071647 1191192090 /nfs/dbraw/zinc/19/20/90/1191192090.db2.gz QTWUKVMCZLJQMV-QGZVFWFLSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001484071647 1191192094 /nfs/dbraw/zinc/19/20/94/1191192094.db2.gz QTWUKVMCZLJQMV-QGZVFWFLSA-N 2 2 338.883 2.156 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@](C)(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)co1 ZINC001484172069 1191258271 /nfs/dbraw/zinc/25/82/71/1191258271.db2.gz CPFNSQMCYKZHOG-QFBILLFUSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@](C)(CNC(=O)C[C@@H]3CC[N@H+](C)C3)C2)co1 ZINC001484172069 1191258272 /nfs/dbraw/zinc/25/82/72/1191258272.db2.gz CPFNSQMCYKZHOG-QFBILLFUSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@](C)(CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)co1 ZINC001484172069 1191258274 /nfs/dbraw/zinc/25/82/74/1191258274.db2.gz CPFNSQMCYKZHOG-QFBILLFUSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@](C)(CNC(=O)C[C@@H]3CC[NH+](C)C3)C2)co1 ZINC001484172069 1191258276 /nfs/dbraw/zinc/25/82/76/1191258276.db2.gz CPFNSQMCYKZHOG-QFBILLFUSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484173993 1191259948 /nfs/dbraw/zinc/25/99/48/1191259948.db2.gz JAGXFYCDCNSTNP-LJQANCHMSA-N 2 2 341.459 2.005 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001484173993 1191259950 /nfs/dbraw/zinc/25/99/50/1191259950.db2.gz JAGXFYCDCNSTNP-LJQANCHMSA-N 2 2 341.459 2.005 10 0 EEAELP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001484526774 1191395583 /nfs/dbraw/zinc/39/55/83/1191395583.db2.gz HQHSFKYAFYEFFQ-SJORKVTESA-N 2 2 330.476 2.240 10 0 EEAELP CC1([NH2+]CCc2cccs2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001484928680 1191574348 /nfs/dbraw/zinc/57/43/48/1191574348.db2.gz YRMVDSQVLFNUEK-UHFFFAOYSA-N 2 2 332.473 2.158 10 0 EEAELP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001485061848 1191639814 /nfs/dbraw/zinc/63/98/14/1191639814.db2.gz CRDJSWIOPIHCKP-DLBZAZTESA-N 2 2 336.480 2.040 10 0 EEAELP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001485061848 1191639816 /nfs/dbraw/zinc/63/98/16/1191639816.db2.gz CRDJSWIOPIHCKP-DLBZAZTESA-N 2 2 336.480 2.040 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1F ZINC001485330963 1191738031 /nfs/dbraw/zinc/73/80/31/1191738031.db2.gz MDHOTDIOIZTZNP-GFCCVEGCSA-N 2 2 336.386 2.106 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1F ZINC001485330963 1191738032 /nfs/dbraw/zinc/73/80/32/1191738032.db2.gz MDHOTDIOIZTZNP-GFCCVEGCSA-N 2 2 336.386 2.106 10 0 EEAELP CC(C)[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001486398447 1193898910 /nfs/dbraw/zinc/89/89/10/1193898910.db2.gz AYSNRVZHHWBDBH-HZPDHXFCSA-N 2 2 335.496 2.319 10 0 EEAELP CC(C)[NH2+]C[C@@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001486398447 1193898915 /nfs/dbraw/zinc/89/89/15/1193898915.db2.gz AYSNRVZHHWBDBH-HZPDHXFCSA-N 2 2 335.496 2.319 10 0 EEAELP CCO[C@@H](C[NH2+]C1CC(N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)C1CC1 ZINC001486480987 1193994760 /nfs/dbraw/zinc/99/47/60/1193994760.db2.gz VWXUAJLBCFNWET-GPANFISMSA-N 2 2 348.491 2.081 10 0 EEAELP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001486518988 1194039487 /nfs/dbraw/zinc/03/94/87/1194039487.db2.gz CWOBLUOLUOGECJ-HNNXBMFYSA-N 2 2 334.464 2.134 10 0 EEAELP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001486518988 1194039491 /nfs/dbraw/zinc/03/94/91/1194039491.db2.gz CWOBLUOLUOGECJ-HNNXBMFYSA-N 2 2 334.464 2.134 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001486518988 1194039496 /nfs/dbraw/zinc/03/94/96/1194039496.db2.gz CWOBLUOLUOGECJ-HNNXBMFYSA-N 2 2 334.464 2.134 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@H+]([C@@H](C)c2ncc(C)o2)CC1 ZINC001486518988 1194039500 /nfs/dbraw/zinc/03/95/00/1194039500.db2.gz CWOBLUOLUOGECJ-HNNXBMFYSA-N 2 2 334.464 2.134 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)Cc1c[nH+]cn1C ZINC001273123179 1194406231 /nfs/dbraw/zinc/40/62/31/1194406231.db2.gz OJOIDMNNVNDPCX-AWEZNQCLSA-N 2 2 339.443 2.129 10 0 EEAELP O[C@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000702645453 1196068418 /nfs/dbraw/zinc/06/84/18/1196068418.db2.gz XNYRQVXWNANWTR-MJGOQNOKSA-N 2 2 326.444 2.014 10 0 EEAELP O[C@]1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000702645453 1196068423 /nfs/dbraw/zinc/06/84/23/1196068423.db2.gz XNYRQVXWNANWTR-MJGOQNOKSA-N 2 2 326.444 2.014 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H](C(=O)N1CCCCC1)c1ccccc1)C2 ZINC000872152379 1198059603 /nfs/dbraw/zinc/05/96/03/1198059603.db2.gz QIDYMLNNCBZZQQ-CMKODMSKSA-N 2 2 327.472 2.282 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H](C(=O)N1CCCCC1)c1ccccc1)C2 ZINC000872152379 1198059608 /nfs/dbraw/zinc/05/96/08/1198059608.db2.gz QIDYMLNNCBZZQQ-CMKODMSKSA-N 2 2 327.472 2.282 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC001411219826 1198929891 /nfs/dbraw/zinc/92/98/91/1198929891.db2.gz XDGBMWJGEMOTLC-QGZVFWFLSA-N 2 2 343.475 2.216 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001411257214 1198987927 /nfs/dbraw/zinc/98/79/27/1198987927.db2.gz RAXFQCDXUGXCQU-UHFFFAOYSA-N 2 2 330.476 2.124 10 0 EEAELP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866706015 1201585237 /nfs/dbraw/zinc/58/52/37/1201585237.db2.gz DWOKVBRATYVBMW-LJQANCHMSA-N 2 2 347.459 2.109 10 0 EEAELP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1 ZINC000866706015 1201585241 /nfs/dbraw/zinc/58/52/41/1201585241.db2.gz DWOKVBRATYVBMW-LJQANCHMSA-N 2 2 347.459 2.109 10 0 EEAELP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707675 1201586118 /nfs/dbraw/zinc/58/61/18/1201586118.db2.gz VQHSJIWFGRUVRP-KSSFIOAISA-N 2 2 335.496 2.061 10 0 EEAELP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707675 1201586121 /nfs/dbraw/zinc/58/61/21/1201586121.db2.gz VQHSJIWFGRUVRP-KSSFIOAISA-N 2 2 335.496 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000882393432 1201865441 /nfs/dbraw/zinc/86/54/41/1201865441.db2.gz YOGREDRIPQSJFV-SFHVURJKSA-N 2 2 339.443 2.196 10 0 EEAELP O=C(CCn1cc[nH+]c1)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000882393432 1201865443 /nfs/dbraw/zinc/86/54/43/1201865443.db2.gz YOGREDRIPQSJFV-SFHVURJKSA-N 2 2 339.443 2.196 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887926243 1204509746 /nfs/dbraw/zinc/50/97/46/1204509746.db2.gz BAMUYCADCVBELX-XIKOKIGWSA-N 2 2 348.397 2.033 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887926243 1204509748 /nfs/dbraw/zinc/50/97/48/1204509748.db2.gz BAMUYCADCVBELX-XIKOKIGWSA-N 2 2 348.397 2.033 10 0 EEAELP CC(C)(C(=O)NC/C=C\C[NH2+]Cc1coc(C2CC2)n1)[NH+]1CCCC1 ZINC001274253878 1204975382 /nfs/dbraw/zinc/97/53/82/1204975382.db2.gz PMPQFNRKDHBRQR-ARJAWSKDSA-N 2 2 346.475 2.188 10 0 EEAELP CC[C@H](C(=O)NC/C=C/C[NH2+]Cc1cc(C(C)(C)C)on1)[NH+](C)C ZINC001274511310 1205063821 /nfs/dbraw/zinc/06/38/21/1205063821.db2.gz PFCKTXPZKWROAJ-XVJNWHFHSA-N 2 2 336.480 2.074 10 0 EEAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)[nH]n1 ZINC001275233261 1205287094 /nfs/dbraw/zinc/28/70/94/1205287094.db2.gz URQBCLMOUUDXPJ-JTTJXQCZSA-N 2 2 345.491 2.075 10 0 EEAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NC2CC(C[NH2+]CCC3CC3)C2)[nH]n1 ZINC001275233261 1205287096 /nfs/dbraw/zinc/28/70/96/1205287096.db2.gz URQBCLMOUUDXPJ-JTTJXQCZSA-N 2 2 345.491 2.075 10 0 EEAELP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001276084175 1205768021 /nfs/dbraw/zinc/76/80/21/1205768021.db2.gz KZBOVLRUPMIIRA-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP Fc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]C23CCC3)N2CCOCC2)cc1 ZINC000925501661 1206120017 /nfs/dbraw/zinc/12/00/17/1206120017.db2.gz BQDQCMZMOSBGQP-ROUUACIJSA-N 2 2 333.451 2.073 10 0 EEAELP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925662785 1206141142 /nfs/dbraw/zinc/14/11/42/1206141142.db2.gz LJJGIMVFGWRPMW-LZQZEXGQSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925662785 1206141144 /nfs/dbraw/zinc/14/11/44/1206141144.db2.gz LJJGIMVFGWRPMW-LZQZEXGQSA-N 2 2 340.471 2.392 10 0 EEAELP CCCOc1cc(F)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926064422 1206187622 /nfs/dbraw/zinc/18/76/22/1206187622.db2.gz WWEOENCYHSVAAW-UHFFFAOYSA-N 2 2 338.427 2.159 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926406588 1206219097 /nfs/dbraw/zinc/21/90/97/1206219097.db2.gz DNVPMMIEQZGUOX-MSOLQXFVSA-N 2 2 341.455 2.279 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926406588 1206219098 /nfs/dbraw/zinc/21/90/98/1206219098.db2.gz DNVPMMIEQZGUOX-MSOLQXFVSA-N 2 2 341.455 2.279 10 0 EEAELP COc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)O2 ZINC000930319585 1206549029 /nfs/dbraw/zinc/54/90/29/1206549029.db2.gz NBPRHEGNGPYTTL-MJGOQNOKSA-N 2 2 346.471 2.185 10 0 EEAELP COc1ccc2c(c1)C[C@@H](C[N@H+]1CCC[C@@H]([NH+]3CCOCC3)CC1)O2 ZINC000930319585 1206549030 /nfs/dbraw/zinc/54/90/30/1206549030.db2.gz NBPRHEGNGPYTTL-MJGOQNOKSA-N 2 2 346.471 2.185 10 0 EEAELP C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930859297 1206588139 /nfs/dbraw/zinc/58/81/39/1206588139.db2.gz TUEXBBODGVOAJX-IXDOHACOSA-N 2 2 347.503 2.204 10 0 EEAELP C[C@H](C(=O)N(C)C)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930859297 1206588140 /nfs/dbraw/zinc/58/81/40/1206588140.db2.gz TUEXBBODGVOAJX-IXDOHACOSA-N 2 2 347.503 2.204 10 0 EEAELP C[C@H](C(=O)N(C)C)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930859297 1206588141 /nfs/dbraw/zinc/58/81/41/1206588141.db2.gz TUEXBBODGVOAJX-IXDOHACOSA-N 2 2 347.503 2.204 10 0 EEAELP C[C@H](C(=O)N(C)C)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930859297 1206588142 /nfs/dbraw/zinc/58/81/42/1206588142.db2.gz TUEXBBODGVOAJX-IXDOHACOSA-N 2 2 347.503 2.204 10 0 EEAELP COc1ccc2c(c1)C[C@@H](C[NH+]1CCC([N@@H+]3CCCOCC3)CC1)O2 ZINC000931284283 1206621819 /nfs/dbraw/zinc/62/18/19/1206621819.db2.gz QWFWLUXFDLYYDP-IBGZPJMESA-N 2 2 346.471 2.185 10 0 EEAELP COc1ccc2c(c1)C[C@@H](C[NH+]1CCC([N@H+]3CCCOCC3)CC1)O2 ZINC000931284283 1206621821 /nfs/dbraw/zinc/62/18/21/1206621821.db2.gz QWFWLUXFDLYYDP-IBGZPJMESA-N 2 2 346.471 2.185 10 0 EEAELP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691736427 1210596532 /nfs/dbraw/zinc/59/65/32/1210596532.db2.gz SNJACSNUAFVCOY-BYPUDFOVSA-N 2 2 338.883 2.415 10 0 EEAELP CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691736427 1210596533 /nfs/dbraw/zinc/59/65/33/1210596533.db2.gz SNJACSNUAFVCOY-BYPUDFOVSA-N 2 2 338.883 2.415 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCC(=O)NC3(C)C)CC2)cc1 ZINC000802313763 1237250038 /nfs/dbraw/zinc/25/00/38/1237250038.db2.gz OJSCNBWSMOBSFY-SFHVURJKSA-N 2 2 344.503 2.368 10 0 EEAELP CN1C[C@@H](CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC000903210605 1240019453 /nfs/dbraw/zinc/01/94/53/1240019453.db2.gz MAKQNGVWZAHGKU-ZWKOTPCHSA-N 2 2 329.488 2.498 10 0 EEAELP CN1C[C@@H](CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC000903210605 1240019460 /nfs/dbraw/zinc/01/94/60/1240019460.db2.gz MAKQNGVWZAHGKU-ZWKOTPCHSA-N 2 2 329.488 2.498 10 0 EEAELP Brc1cnc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)nc1 ZINC000903566201 1240960842 /nfs/dbraw/zinc/96/08/42/1240960842.db2.gz LJCHNQAUAZRCRU-AAEUAGOBSA-N 2 2 325.254 2.376 10 0 EEAELP Brc1cnc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)nc1 ZINC000903566201 1240960847 /nfs/dbraw/zinc/96/08/47/1240960847.db2.gz LJCHNQAUAZRCRU-AAEUAGOBSA-N 2 2 325.254 2.376 10 0 EEAELP C[NH+](C)CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC001413537983 1241240441 /nfs/dbraw/zinc/24/04/41/1241240441.db2.gz JGHMKQQTICDBCC-SFHVURJKSA-N 2 2 340.471 2.274 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)on1 ZINC001491491386 1259140950 /nfs/dbraw/zinc/14/09/50/1259140950.db2.gz PFUIQXOQDKJPDT-HOCLYGCPSA-N 2 2 333.436 2.061 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001491495734 1259146748 /nfs/dbraw/zinc/14/67/48/1259146748.db2.gz QLJAMKYVCBQDPP-CQSZACIVSA-N 2 2 331.460 2.307 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]CCc2cccs2)c[nH+]1 ZINC001483240425 1277864864 /nfs/dbraw/zinc/86/48/64/1277864864.db2.gz OLMUCNVLIXRTRP-ZDUSSCGKSA-N 2 2 334.489 2.325 10 0 EEAELP CCN(CC[NH2+]Cc1c(F)cccc1Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001273628950 1281727981 /nfs/dbraw/zinc/72/79/81/1281727981.db2.gz VLHUSTFCPGWRCY-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(Cl)cc1F)C(=O)Cc1[nH]cc[nH+]1 ZINC001273680535 1283220429 /nfs/dbraw/zinc/22/04/29/1283220429.db2.gz GZWZXTUVVHSFRG-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647054 1286320021 /nfs/dbraw/zinc/32/00/21/1286320021.db2.gz CGOYAJPHVVWHFY-ROUUACIJSA-N 2 2 344.503 2.283 10 0 EEAELP CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647054 1286320031 /nfs/dbraw/zinc/32/00/31/1286320031.db2.gz CGOYAJPHVVWHFY-ROUUACIJSA-N 2 2 344.503 2.283 10 0 EEAELP CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647054 1286320040 /nfs/dbraw/zinc/32/00/40/1286320040.db2.gz CGOYAJPHVVWHFY-ROUUACIJSA-N 2 2 344.503 2.283 10 0 EEAELP CC[NH+]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647054 1286320047 /nfs/dbraw/zinc/32/00/47/1286320047.db2.gz CGOYAJPHVVWHFY-ROUUACIJSA-N 2 2 344.503 2.283 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccnc1SC(F)F ZINC000855417353 1293210657 /nfs/dbraw/zinc/21/06/57/1293210657.db2.gz YZWQEDWSALIBSU-UHFFFAOYSA-N 2 2 346.447 2.010 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccnc1SC(F)F ZINC000855417353 1293210662 /nfs/dbraw/zinc/21/06/62/1293210662.db2.gz YZWQEDWSALIBSU-UHFFFAOYSA-N 2 2 346.447 2.010 10 0 EEAELP O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000857987350 1293980908 /nfs/dbraw/zinc/98/09/08/1293980908.db2.gz XEFWYCNBPIRVGC-WBVHZDCISA-N 2 2 342.418 2.495 10 0 EEAELP O=C(N[C@H]1CCn2c[nH+]cc21)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000857987350 1293980910 /nfs/dbraw/zinc/98/09/10/1293980910.db2.gz XEFWYCNBPIRVGC-WBVHZDCISA-N 2 2 342.418 2.495 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023433 1293989682 /nfs/dbraw/zinc/98/96/82/1293989682.db2.gz MXRIJDFYHBLPIR-QZTJIDSGSA-N 2 2 333.476 2.115 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023433 1293989686 /nfs/dbraw/zinc/98/96/86/1293989686.db2.gz MXRIJDFYHBLPIR-QZTJIDSGSA-N 2 2 333.476 2.115 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023433 1293989689 /nfs/dbraw/zinc/98/96/89/1293989689.db2.gz MXRIJDFYHBLPIR-QZTJIDSGSA-N 2 2 333.476 2.115 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858023433 1293989691 /nfs/dbraw/zinc/98/96/91/1293989691.db2.gz MXRIJDFYHBLPIR-QZTJIDSGSA-N 2 2 333.476 2.115 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001277662857 1304119271 /nfs/dbraw/zinc/11/92/71/1304119271.db2.gz PWLQHWIOAIFYMI-IRXDYDNUSA-N 2 2 330.476 2.238 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(F)(F)C(F)F)C[C@H]1C ZINC001277777979 1304395456 /nfs/dbraw/zinc/39/54/56/1304395456.db2.gz YOCXITYEJGFIEX-NEPJUHHUSA-N 2 2 341.393 2.198 10 0 EEAELP COCCCC[NH2+][C@@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)[C@H]1C ZINC001278251172 1308915229 /nfs/dbraw/zinc/91/52/29/1308915229.db2.gz LXUVIDXPRKXHNO-DOTOQJQBSA-N 2 2 344.459 2.262 10 0 EEAELP CC(C)OCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001278286325 1308982923 /nfs/dbraw/zinc/98/29/23/1308982923.db2.gz UNIBEQWVHBJYHE-JKSUJKDBSA-N 2 2 344.459 2.342 10 0 EEAELP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843493958 1315923731 /nfs/dbraw/zinc/92/37/31/1315923731.db2.gz WJYNQSSPQKHVPF-GOEBONIOSA-N 2 2 327.831 2.340 10 0 EEAELP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843493958 1315923735 /nfs/dbraw/zinc/92/37/35/1315923735.db2.gz WJYNQSSPQKHVPF-GOEBONIOSA-N 2 2 327.831 2.340 10 0 EEAELP C[C@H](NC(=O)CCC[NH+](C)C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001276421776 1321966627 /nfs/dbraw/zinc/96/66/27/1321966627.db2.gz NNBXZGKTRSODHJ-ZDUSSCGKSA-N 2 2 338.883 2.013 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCCC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC001264125226 1322635074 /nfs/dbraw/zinc/63/50/74/1322635074.db2.gz FDSVYXVDFONHHC-QGZVFWFLSA-N 2 2 348.491 2.130 10 0 EEAELP CCCCC[NH2+]Cc1nc2c(s1)CCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001264191325 1322657887 /nfs/dbraw/zinc/65/78/87/1322657887.db2.gz LJJLRLKLJCYZIL-UHFFFAOYSA-N 2 2 347.488 2.204 10 0 EEAELP COCCCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001265549792 1323215956 /nfs/dbraw/zinc/21/59/56/1323215956.db2.gz ZAUQVOLISDXCFL-GASCZTMLSA-N 2 2 330.432 2.001 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265718286 1323348829 /nfs/dbraw/zinc/34/88/29/1323348829.db2.gz HFJIOIGTGXBBEL-MXKPLDIFSA-N 2 2 342.487 2.238 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001265718286 1323348835 /nfs/dbraw/zinc/34/88/35/1323348835.db2.gz HFJIOIGTGXBBEL-MXKPLDIFSA-N 2 2 342.487 2.238 10 0 EEAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266178278 1323746514 /nfs/dbraw/zinc/74/65/14/1323746514.db2.gz BPOTVPTUTAUSMP-QWHCGFSZSA-N 2 2 349.866 2.321 10 0 EEAELP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001266178278 1323746520 /nfs/dbraw/zinc/74/65/20/1323746520.db2.gz BPOTVPTUTAUSMP-QWHCGFSZSA-N 2 2 349.866 2.321 10 0 EEAELP CCOCCC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCC1 ZINC001280493211 1324254970 /nfs/dbraw/zinc/25/49/70/1324254970.db2.gz IPFPDXGZBFKTOR-UHFFFAOYSA-N 2 2 330.432 2.003 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001276610246 1324749191 /nfs/dbraw/zinc/74/91/91/1324749191.db2.gz AVHWXKKWICEBNK-DOTOQJQBSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C)CCC[NH2+]CCn2cccn2)c(C)[nH+]1 ZINC001283205968 1325954894 /nfs/dbraw/zinc/95/48/94/1325954894.db2.gz VTKKAYBFGHAJRF-OAHLLOKOSA-N 2 2 343.475 2.392 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCCc2ccccc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001283921061 1326320530 /nfs/dbraw/zinc/32/05/30/1326320530.db2.gz BOFDQMVVOCIVOO-NVXWUHKLSA-N 2 2 326.444 2.164 10 0 EEAELP CCCCOCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001317049603 1332060606 /nfs/dbraw/zinc/06/06/06/1332060606.db2.gz SOVFVAWOFSEGDA-KURKYZTESA-N 2 2 348.491 2.326 10 0 EEAELP CCCCOCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001317049603 1332060611 /nfs/dbraw/zinc/06/06/11/1332060611.db2.gz SOVFVAWOFSEGDA-KURKYZTESA-N 2 2 348.491 2.326 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@H]([NH2+]CCCCC2CCOCC2)C1 ZINC001317092195 1332075594 /nfs/dbraw/zinc/07/55/94/1332075594.db2.gz YHNDWFLZNMOVCW-QAQDUYKDSA-N 2 2 348.491 2.094 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H](C[NH2+]C/C=C\Cl)C3)[nH+]c12 ZINC001317334631 1332183878 /nfs/dbraw/zinc/18/38/78/1332183878.db2.gz GJGHTPNTEFHQMF-OMVNSRBRSA-N 2 2 346.862 2.376 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[NH2+]Cc1c(F)cccc1Cl ZINC001317610512 1332325720 /nfs/dbraw/zinc/32/57/20/1332325720.db2.gz MOXLISWGOBLIPS-UHFFFAOYSA-N 2 2 338.814 2.232 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001318428673 1332532726 /nfs/dbraw/zinc/53/27/26/1332532726.db2.gz MBPDXRLCHPIPIV-GJZGRUSLSA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001318428673 1332532728 /nfs/dbraw/zinc/53/27/28/1332532728.db2.gz MBPDXRLCHPIPIV-GJZGRUSLSA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)n1 ZINC001318557713 1332560575 /nfs/dbraw/zinc/56/05/75/1332560575.db2.gz MHECJBTVHVIMOL-ZDUSSCGKSA-N 2 2 335.839 2.006 10 0 EEAELP CC[C@@H](F)C[NH2+]CC[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001318848103 1332611143 /nfs/dbraw/zinc/61/11/43/1332611143.db2.gz CSKFBYWCJZKUPB-JKSUJKDBSA-N 2 2 338.471 2.319 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CCc1ccc2ccccc2c1 ZINC001323371916 1333451239 /nfs/dbraw/zinc/45/12/39/1333451239.db2.gz PINDSGVZWXZTJQ-FQEVSTJZSA-N 2 2 348.450 2.470 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CCc1ccc2ccccc2c1 ZINC001323371916 1333451243 /nfs/dbraw/zinc/45/12/43/1333451243.db2.gz PINDSGVZWXZTJQ-FQEVSTJZSA-N 2 2 348.450 2.470 10 0 EEAELP CC(C)OCCC[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001323836670 1333550768 /nfs/dbraw/zinc/55/07/68/1333550768.db2.gz VODGIMVEPASXDL-UHFFFAOYSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)c1 ZINC001326290681 1334061202 /nfs/dbraw/zinc/06/12/02/1334061202.db2.gz WAJVXDNSBIUKSU-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@@H]2CCN(C(=O)CCc3c[nH+]c[nH]3)C2)c1 ZINC001326290681 1334061206 /nfs/dbraw/zinc/06/12/06/1334061206.db2.gz WAJVXDNSBIUKSU-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329051867 1334575113 /nfs/dbraw/zinc/57/51/13/1334575113.db2.gz ZZRHLIBPUHMJOW-VXGBXAGGSA-N 2 2 335.839 2.074 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001329051867 1334575117 /nfs/dbraw/zinc/57/51/17/1334575117.db2.gz ZZRHLIBPUHMJOW-VXGBXAGGSA-N 2 2 335.839 2.074 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1F ZINC001480324275 1337998923 /nfs/dbraw/zinc/99/89/23/1337998923.db2.gz NRDHBQUKNVQFGH-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1F ZINC001480324275 1337998926 /nfs/dbraw/zinc/99/89/26/1337998926.db2.gz NRDHBQUKNVQFGH-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2c(F)cccc2F)C1 ZINC001500280518 1342130239 /nfs/dbraw/zinc/13/02/39/1342130239.db2.gz OKDNSHOIXQYJRN-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2c(F)cccc2F)C1 ZINC001500280518 1342130241 /nfs/dbraw/zinc/13/02/41/1342130241.db2.gz OKDNSHOIXQYJRN-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001500280518 1342130243 /nfs/dbraw/zinc/13/02/43/1342130243.db2.gz OKDNSHOIXQYJRN-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001500280518 1342130245 /nfs/dbraw/zinc/13/02/45/1342130245.db2.gz OKDNSHOIXQYJRN-SFHVURJKSA-N 2 2 339.430 2.387 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)n1 ZINC001505716793 1342238553 /nfs/dbraw/zinc/23/85/53/1342238553.db2.gz LOGMHUCOGFUVMQ-UONOGXRCSA-N 2 2 329.448 2.154 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]CC[C@@H]1CCCCO1)C1CCCC1 ZINC001569613882 1342909102 /nfs/dbraw/zinc/90/91/02/1342909102.db2.gz JYACSCWZWDXCKL-ROUUACIJSA-N 2 2 348.491 2.107 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001570004640 1342996328 /nfs/dbraw/zinc/99/63/28/1342996328.db2.gz FYXXODNJXYKFKS-HOCLYGCPSA-N 2 2 345.447 2.159 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001570676548 1343100829 /nfs/dbraw/zinc/10/08/29/1343100829.db2.gz BVKFTTFEWVIGRT-GBXSZLQWSA-N 2 2 338.883 2.272 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001571458083 1343212315 /nfs/dbraw/zinc/21/23/15/1343212315.db2.gz HMBCFUGVFIMCSI-HIFRSBDPSA-N 2 2 330.432 2.181 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccnc(Cl)c1 ZINC001676472885 1357154575 /nfs/dbraw/zinc/15/45/75/1357154575.db2.gz DPXDDTFKBSDEKG-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001676945921 1357247473 /nfs/dbraw/zinc/24/74/73/1357247473.db2.gz RCLYMLTYTOVTLO-RTBURBONSA-N 2 2 340.471 2.390 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001676959928 1357250264 /nfs/dbraw/zinc/25/02/64/1357250264.db2.gz ZZTQYPMYWQFFGT-KBPBESRZSA-N 2 2 332.473 2.131 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC001676971284 1357252767 /nfs/dbraw/zinc/25/27/67/1357252767.db2.gz VBZDPRJSAPEJDZ-QZTJIDSGSA-N 2 2 340.471 2.378 10 0 EEAELP CC1(C)CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001677023684 1357264540 /nfs/dbraw/zinc/26/45/40/1357264540.db2.gz NNAOACXXAXRJBO-INIZCTEOSA-N 2 2 346.500 2.473 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001677635933 1357379192 /nfs/dbraw/zinc/37/91/92/1357379192.db2.gz AXVBZZFWUXNQDP-FGTMMUONSA-N 2 2 328.460 2.068 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001677635933 1357379196 /nfs/dbraw/zinc/37/91/96/1357379196.db2.gz AXVBZZFWUXNQDP-FGTMMUONSA-N 2 2 328.460 2.068 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(Sc2ccccc2)CC1 ZINC001645996893 1352812806 /nfs/dbraw/zinc/81/28/06/1352812806.db2.gz SZLPNWXJJOOSBI-UHFFFAOYSA-N 2 2 335.517 2.311 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(Sc2ccccc2)CC1 ZINC001645996893 1352812809 /nfs/dbraw/zinc/81/28/09/1352812809.db2.gz SZLPNWXJJOOSBI-UHFFFAOYSA-N 2 2 335.517 2.311 10 0 EEAELP CC1(C)CN(C(=O)C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)CCO1 ZINC001650048276 1353699575 /nfs/dbraw/zinc/69/95/75/1353699575.db2.gz CRPGIPZDBSYMPD-UHFFFAOYSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001650606889 1354019543 /nfs/dbraw/zinc/01/95/43/1354019543.db2.gz YIUOWKLYLRAYQO-TYNCELHUSA-N 2 2 348.397 2.079 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001650606889 1354019544 /nfs/dbraw/zinc/01/95/44/1354019544.db2.gz YIUOWKLYLRAYQO-TYNCELHUSA-N 2 2 348.397 2.079 10 0 EEAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCN(C)c3cccc[nH+]3)C[N@@H+]2C1 ZINC001650905985 1354033167 /nfs/dbraw/zinc/03/31/67/1354033167.db2.gz NCJCCHUHQGZFIV-ZACQAIPSSA-N 2 2 330.476 2.145 10 0 EEAELP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NCCCN(C)c3cccc[nH+]3)C[N@H+]2C1 ZINC001650905985 1354033170 /nfs/dbraw/zinc/03/31/70/1354033170.db2.gz NCJCCHUHQGZFIV-ZACQAIPSSA-N 2 2 330.476 2.145 10 0 EEAELP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1c(F)cccc1F)C1CCC1 ZINC001660169720 1354409468 /nfs/dbraw/zinc/40/94/68/1354409468.db2.gz DOBCIAOOVKOCOH-UHFFFAOYSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](CC(=O)NCCC[N@H+](C)Cc1c(F)cccc1F)C1CCC1 ZINC001660169720 1354409471 /nfs/dbraw/zinc/40/94/71/1354409471.db2.gz DOBCIAOOVKOCOH-UHFFFAOYSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)Cc1c(F)cccc1F ZINC001660169720 1354409475 /nfs/dbraw/zinc/40/94/75/1354409475.db2.gz DOBCIAOOVKOCOH-UHFFFAOYSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)Cc1c(F)cccc1F ZINC001660169720 1354409477 /nfs/dbraw/zinc/40/94/77/1354409477.db2.gz DOBCIAOOVKOCOH-UHFFFAOYSA-N 2 2 339.430 2.387 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001661826339 1354703781 /nfs/dbraw/zinc/70/37/81/1354703781.db2.gz AKIZQMLGVAYYJP-HNNXBMFYSA-N 2 2 344.434 2.162 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001662314792 1354779625 /nfs/dbraw/zinc/77/96/25/1354779625.db2.gz OUSUJOADEDSMCN-APWZRJJASA-N 2 2 349.519 2.225 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001662314792 1354779628 /nfs/dbraw/zinc/77/96/28/1354779628.db2.gz OUSUJOADEDSMCN-APWZRJJASA-N 2 2 349.519 2.225 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001664013448 1355073978 /nfs/dbraw/zinc/07/39/78/1355073978.db2.gz IKPCSZLBFHPTND-ZDUSSCGKSA-N 2 2 338.415 2.084 10 0 EEAELP C[C@@H]([NH2+]CCCF)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001664457061 1355168635 /nfs/dbraw/zinc/16/86/35/1355168635.db2.gz HDFFUNXJPCNQDV-FVQBIDKESA-N 2 2 336.455 2.100 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001666462608 1355528939 /nfs/dbraw/zinc/52/89/39/1355528939.db2.gz HOFHTHPTUAMLQR-LJQANCHMSA-N 2 2 340.471 2.338 10 0 EEAELP CCC/C=C/CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001666714163 1355575397 /nfs/dbraw/zinc/57/53/97/1355575397.db2.gz VHXPQFWSEANKDD-ZBKUBXTQSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C/CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001666714163 1355575400 /nfs/dbraw/zinc/57/54/00/1355575400.db2.gz VHXPQFWSEANKDD-ZBKUBXTQSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C/CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001666714163 1355575402 /nfs/dbraw/zinc/57/54/02/1355575402.db2.gz VHXPQFWSEANKDD-ZBKUBXTQSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C/CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001666714163 1355575407 /nfs/dbraw/zinc/57/54/07/1355575407.db2.gz VHXPQFWSEANKDD-ZBKUBXTQSA-N 2 2 337.508 2.034 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001667313019 1355707027 /nfs/dbraw/zinc/70/70/27/1355707027.db2.gz PLWPUJDKXPICFJ-DLBZAZTESA-N 2 2 348.491 2.059 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001668146784 1355884763 /nfs/dbraw/zinc/88/47/63/1355884763.db2.gz GWLZRILCDQHVAX-INIZCTEOSA-N 2 2 328.460 2.346 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC001668296327 1355917842 /nfs/dbraw/zinc/91/78/42/1355917842.db2.gz YUKOIFUJSRLFPU-MRXNPFEDSA-N 2 2 328.460 2.346 10 0 EEAELP O=C(NCC=CC[NH2+]Cc1ccc(F)cn1)c1cc2c[nH+]ccc2[nH]1 ZINC001668887574 1356035949 /nfs/dbraw/zinc/03/59/49/1356035949.db2.gz NMTSXKORJXWRMI-OWOJBTEDSA-N 2 2 339.374 2.173 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccc(Cl)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001669408262 1356156665 /nfs/dbraw/zinc/15/66/65/1356156665.db2.gz UBNXHWZHGMYIJW-XQJDBVBESA-N 2 2 332.835 2.413 10 0 EEAELP C[C@H](C[NH2+]Cc1nc2ccccc2o1)NC(=O)CCCn1cc[nH+]c1 ZINC001669485386 1356165868 /nfs/dbraw/zinc/16/58/68/1356165868.db2.gz DFUAHOQNFGGCPG-CQSZACIVSA-N 2 2 341.415 2.099 10 0 EEAELP C[C@@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001669668585 1356192056 /nfs/dbraw/zinc/19/20/56/1356192056.db2.gz GHHVZQLADGYUEA-YNEHKIRRSA-N 2 2 346.397 2.351 10 0 EEAELP CCCCC[NH+]1CCC2(CO[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001671448006 1356340428 /nfs/dbraw/zinc/34/04/28/1356340428.db2.gz ONWQVCALAMHPDC-MRXNPFEDSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001672327378 1356502118 /nfs/dbraw/zinc/50/21/18/1356502118.db2.gz HYZFDOAZGJATSV-MAUKXSAKSA-N 2 2 340.471 2.187 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001672816293 1356590895 /nfs/dbraw/zinc/59/08/95/1356590895.db2.gz PFTTVWDNGTZCCI-IRXDYDNUSA-N 2 2 330.476 2.074 10 0 EEAELP C[C@H](CC(=O)N1CCC(C)([NH2+]CCOCC2CC2)CC1)n1cc[nH+]c1 ZINC001673985629 1356767194 /nfs/dbraw/zinc/76/71/94/1356767194.db2.gz MNHPLPTWSJBTAG-MRXNPFEDSA-N 2 2 348.491 2.232 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001674134990 1356795102 /nfs/dbraw/zinc/79/51/02/1356795102.db2.gz OILWHZIXVWJSFR-ZFWWWQNUSA-N 2 2 330.432 2.182 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001674134990 1356795105 /nfs/dbraw/zinc/79/51/05/1356795105.db2.gz OILWHZIXVWJSFR-ZFWWWQNUSA-N 2 2 330.432 2.182 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CCOC2CCCCCC2)C1 ZINC001690745258 1404936260 /nfs/dbraw/zinc/93/62/60/1404936260.db2.gz AVHNJKRILJQINM-MRXNPFEDSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001698968319 1405192344 /nfs/dbraw/zinc/19/23/44/1405192344.db2.gz LPPQTFFMINMRFM-MRXNPFEDSA-N 2 2 341.415 2.404 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001698980956 1405197166 /nfs/dbraw/zinc/19/71/66/1405197166.db2.gz OOQRDXVSXBIVLG-QWHCGFSZSA-N 2 2 347.290 2.197 10 0 EEAELP CCN1C[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899414 790719087 /nfs/dbraw/zinc/71/90/87/790719087.db2.gz PSNBLRXCZSEGDT-AZUAARDMSA-N 2 2 343.471 2.425 10 0 EEAELP CCN1C[C@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899414 790719091 /nfs/dbraw/zinc/71/90/91/790719091.db2.gz PSNBLRXCZSEGDT-AZUAARDMSA-N 2 2 343.471 2.425 10 0 EEAELP CCN1C[C@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899414 790719102 /nfs/dbraw/zinc/71/91/02/790719102.db2.gz PSNBLRXCZSEGDT-AZUAARDMSA-N 2 2 343.471 2.425 10 0 EEAELP CCN1C[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)OC1=O ZINC000846899414 790719109 /nfs/dbraw/zinc/71/91/09/790719109.db2.gz PSNBLRXCZSEGDT-AZUAARDMSA-N 2 2 343.471 2.425 10 0 EEAELP Cc1cccn2cc(CCNC(=[NH2+])NCCc3cccs3)[nH+]c12 ZINC000083052814 783937050 /nfs/dbraw/zinc/93/70/50/783937050.db2.gz WDFDTPDFGZDCKN-UHFFFAOYSA-N 2 2 327.457 2.394 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288464 788987857 /nfs/dbraw/zinc/98/78/57/788987857.db2.gz UCJSRWAVUBSFHX-WMZOPIPTSA-N 2 2 335.492 2.414 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CN(C4CC4)C(=O)O3)C2)CC1 ZINC000844288464 788987865 /nfs/dbraw/zinc/98/78/65/788987865.db2.gz UCJSRWAVUBSFHX-WMZOPIPTSA-N 2 2 335.492 2.414 10 0 EEAELP CSCc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000921747027 795726377 /nfs/dbraw/zinc/72/63/77/795726377.db2.gz KXUMYPCOCRALNQ-LJQANCHMSA-N 2 2 349.544 2.046 10 0 EEAELP CN(CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1cccc[nH+]1 ZINC001175707532 798217802 /nfs/dbraw/zinc/21/78/02/798217802.db2.gz KAZCAVYMCDVTCU-QGZVFWFLSA-N 2 2 330.476 2.431 10 0 EEAELP CN(CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1cccc[nH+]1 ZINC001175707532 798217804 /nfs/dbraw/zinc/21/78/04/798217804.db2.gz KAZCAVYMCDVTCU-QGZVFWFLSA-N 2 2 330.476 2.431 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCc2c1cc(F)cc2F ZINC001566503161 1125670427 /nfs/dbraw/zinc/67/04/27/1125670427.db2.gz MYRRVVPIEUIZRL-INIZCTEOSA-N 2 2 348.397 2.356 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCc2c1cc(F)cc2F ZINC001566503161 1125670435 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348.397 2.236 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001436420577 1087782942 /nfs/dbraw/zinc/78/29/42/1087782942.db2.gz HIDXXCRHDXBOHX-DOTOQJQBSA-N 2 2 344.434 2.474 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001436954339 1088641004 /nfs/dbraw/zinc/64/10/04/1088641004.db2.gz TVEWDLDTAPFKKR-UTUOFQBUSA-N 2 2 343.258 2.001 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(F)cc1F ZINC001437163755 1089177783 /nfs/dbraw/zinc/17/77/83/1089177783.db2.gz GYUXSGPINBJOHJ-STQMWFEESA-N 2 2 348.397 2.018 10 0 EEAELP CC[C@@H](F)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC001437867469 1090447009 /nfs/dbraw/zinc/44/70/09/1090447009.db2.gz CYMLYEVQYQNXAX-IAGOWNOFSA-N 2 2 332.423 2.387 10 0 EEAELP CCc1ccc(C[NH+]2CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001438054281 1090622360 /nfs/dbraw/zinc/62/23/60/1090622360.db2.gz QIQXPHKZHOQLHA-LJQANCHMSA-N 2 2 329.488 2.424 10 0 EEAELP 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NPRKXPPIYBXHML-IAGOWNOFSA-N 2 2 326.444 2.494 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001440432946 1093637393 /nfs/dbraw/zinc/63/73/93/1093637393.db2.gz NPRKXPPIYBXHML-IAGOWNOFSA-N 2 2 326.444 2.494 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001440432946 1093637396 /nfs/dbraw/zinc/63/73/96/1093637396.db2.gz NPRKXPPIYBXHML-IAGOWNOFSA-N 2 2 326.444 2.494 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001448606810 1093673376 /nfs/dbraw/zinc/67/33/76/1093673376.db2.gz QVVMKHOKXGHLNG-KSSFIOAISA-N 2 2 341.459 2.010 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1 ZINC001448606810 1093673378 /nfs/dbraw/zinc/67/33/78/1093673378.db2.gz QVVMKHOKXGHLNG-KSSFIOAISA-N 2 2 341.459 2.010 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cccc(F)c1 ZINC001448706985 1093774299 /nfs/dbraw/zinc/77/42/99/1093774299.db2.gz WGESPGHZGGVGJO-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)Cc1ccsc1 ZINC001440949745 1094203189 /nfs/dbraw/zinc/20/31/89/1094203189.db2.gz ZDMXZXODVFVQCV-DZGCQCFKSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)Cc1ccsc1 ZINC001440949745 1094203192 /nfs/dbraw/zinc/20/31/92/1094203192.db2.gz ZDMXZXODVFVQCV-DZGCQCFKSA-N 2 2 332.473 2.144 10 0 EEAELP COC[C@@H](C)[NH2+]CC1(NC(=O)Cc2c[nH+]ccc2OC)CCCCC1 ZINC001441104271 1094411037 /nfs/dbraw/zinc/41/10/37/1094411037.db2.gz XSKVXIJEMMNTFX-OAHLLOKOSA-N 2 2 349.475 2.076 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)s1 ZINC001442158539 1096414265 /nfs/dbraw/zinc/41/42/65/1096414265.db2.gz AHINGNGJMXHYLL-CQSZACIVSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1cc(C[N@H+](C)CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)sn1 ZINC001442622446 1096991778 /nfs/dbraw/zinc/99/17/78/1096991778.db2.gz UOGONQFCSJBCDK-KRWDZBQOSA-N 2 2 346.500 2.302 10 0 EEAELP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)sn1 ZINC001442622446 1096991781 /nfs/dbraw/zinc/99/17/81/1096991781.db2.gz UOGONQFCSJBCDK-KRWDZBQOSA-N 2 2 346.500 2.302 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C)cc1Cl ZINC001442771299 1097145740 /nfs/dbraw/zinc/14/57/40/1097145740.db2.gz TZQWAWSXFOAJRK-UHFFFAOYSA-N 2 2 334.851 2.483 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C)cc1Cl ZINC001442771299 1097145744 /nfs/dbraw/zinc/14/57/44/1097145744.db2.gz TZQWAWSXFOAJRK-UHFFFAOYSA-N 2 2 334.851 2.483 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001443971517 1098489217 /nfs/dbraw/zinc/48/92/17/1098489217.db2.gz RXSRWQVIBZMHIC-GJZGRUSLSA-N 2 2 334.464 2.021 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001443971517 1098489220 /nfs/dbraw/zinc/48/92/20/1098489220.db2.gz RXSRWQVIBZMHIC-GJZGRUSLSA-N 2 2 334.464 2.021 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCCC1CCC1 ZINC001479779511 1098965315 /nfs/dbraw/zinc/96/53/15/1098965315.db2.gz AOTWQLKLQSUOQH-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)CCCC1CCC1 ZINC001479779511 1098965324 /nfs/dbraw/zinc/96/53/24/1098965324.db2.gz AOTWQLKLQSUOQH-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@H](C(=O)NCCC[N@H+](C)Cc1cscn1)[NH+]1CCCCCC1 ZINC001479800802 1099028917 /nfs/dbraw/zinc/02/89/17/1099028917.db2.gz WDQUWEHZQCUJSO-OAHLLOKOSA-N 2 2 338.521 2.346 10 0 EEAELP C[C@H](C(=O)NCCC[N@@H+](C)Cc1cscn1)[NH+]1CCCCCC1 ZINC001479800802 1099028931 /nfs/dbraw/zinc/02/89/31/1099028931.db2.gz WDQUWEHZQCUJSO-OAHLLOKOSA-N 2 2 338.521 2.346 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001479906371 1099294878 /nfs/dbraw/zinc/29/48/78/1099294878.db2.gz ZCPFPHXEFGHJGU-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001479906371 1099294884 /nfs/dbraw/zinc/29/48/84/1099294884.db2.gz ZCPFPHXEFGHJGU-SJORKVTESA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001479910513 1099305362 /nfs/dbraw/zinc/30/53/62/1099305362.db2.gz AMIPCWBFWAOJKP-RDJZCZTQSA-N 2 2 327.432 2.010 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001479910513 1099305373 /nfs/dbraw/zinc/30/53/73/1099305373.db2.gz AMIPCWBFWAOJKP-RDJZCZTQSA-N 2 2 327.432 2.010 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cccc(F)c2)CCCC1 ZINC001444542906 1099325886 /nfs/dbraw/zinc/32/58/86/1099325886.db2.gz FGJLXPKDZSUAFG-UHFFFAOYSA-N 2 2 330.407 2.241 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC001479955376 1099391789 /nfs/dbraw/zinc/39/17/89/1099391789.db2.gz QXWZYROGFNZZSD-KRWDZBQOSA-N 2 2 342.443 2.002 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC001479955376 1099391804 /nfs/dbraw/zinc/39/18/04/1099391804.db2.gz QXWZYROGFNZZSD-KRWDZBQOSA-N 2 2 342.443 2.002 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@H+](CCCOc2ccccc2)C1 ZINC001479955376 1099391817 /nfs/dbraw/zinc/39/18/17/1099391817.db2.gz QXWZYROGFNZZSD-KRWDZBQOSA-N 2 2 342.443 2.002 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[N@@H+](CCCOc2ccccc2)C1 ZINC001479955376 1099391833 /nfs/dbraw/zinc/39/18/33/1099391833.db2.gz QXWZYROGFNZZSD-KRWDZBQOSA-N 2 2 342.443 2.002 10 0 EEAELP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001444594500 1099419676 /nfs/dbraw/zinc/41/96/76/1099419676.db2.gz LYXLEWGCQWEALG-CQSZACIVSA-N 2 2 346.500 2.460 10 0 EEAELP CC(C)[C@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccsc1 ZINC001444916361 1099998730 /nfs/dbraw/zinc/99/87/30/1099998730.db2.gz HDGPHJZHUOJJNK-INIZCTEOSA-N 2 2 334.489 2.345 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CCc1cccs1 ZINC001480334904 1100098714 /nfs/dbraw/zinc/09/87/14/1100098714.db2.gz LFLQGJMICLZNSK-HNNXBMFYSA-N 2 2 332.473 2.158 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CCc1cccs1 ZINC001480334904 1100098719 /nfs/dbraw/zinc/09/87/19/1100098719.db2.gz LFLQGJMICLZNSK-HNNXBMFYSA-N 2 2 332.473 2.158 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(CF)cc1 ZINC001480479741 1100287714 /nfs/dbraw/zinc/28/77/14/1100287714.db2.gz LLGFMRSBFPTJKU-APHBMKBZSA-N 2 2 330.407 2.277 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(CF)cc1 ZINC001480479741 1100287716 /nfs/dbraw/zinc/28/77/16/1100287716.db2.gz LLGFMRSBFPTJKU-APHBMKBZSA-N 2 2 330.407 2.277 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC001480489241 1100298568 /nfs/dbraw/zinc/29/85/68/1100298568.db2.gz GAMYLOUVBUJWJC-DOMZBBRYSA-N 2 2 332.473 2.110 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001445090603 1100311000 /nfs/dbraw/zinc/31/10/00/1100311000.db2.gz MBIRFSVPJSHLLX-ZDUSSCGKSA-N 2 2 336.386 2.313 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001445090603 1100311010 /nfs/dbraw/zinc/31/10/10/1100311010.db2.gz MBIRFSVPJSHLLX-ZDUSSCGKSA-N 2 2 336.386 2.313 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+][C@H](C)c1nc2ccccc2o1 ZINC001480503263 1100325733 /nfs/dbraw/zinc/32/57/33/1100325733.db2.gz RJUAQUWNBXSMRZ-GXTWGEPZSA-N 2 2 341.415 2.188 10 0 EEAELP C[C@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001495462172 1101174177 /nfs/dbraw/zinc/17/41/77/1101174177.db2.gz LUQJDSMZAVDCTF-JYJNAYRXSA-N 2 2 344.459 2.126 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc2cncc(F)c2)c[nH+]1 ZINC001495691340 1101444537 /nfs/dbraw/zinc/44/45/37/1101444537.db2.gz NGFKXKOELLLIDG-ZDUSSCGKSA-N 2 2 347.438 2.003 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2cscn2)CC1 ZINC001447148705 1102085542 /nfs/dbraw/zinc/08/55/42/1102085542.db2.gz IKGTULVILWSPBB-JKSUJKDBSA-N 2 2 348.516 2.050 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2cscn2)CC1 ZINC001447148705 1102085557 /nfs/dbraw/zinc/08/55/57/1102085557.db2.gz IKGTULVILWSPBB-JKSUJKDBSA-N 2 2 348.516 2.050 10 0 EEAELP C[C@H](CC[NH2+]CCC1CC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001497193888 1102106007 /nfs/dbraw/zinc/10/60/07/1102106007.db2.gz LEPYSIHLPJXOBF-CXAGYDPISA-N 2 2 333.480 2.075 10 0 EEAELP C[C@H](CC[NH2+]CCC1CC1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001497193888 1102106016 /nfs/dbraw/zinc/10/60/16/1102106016.db2.gz LEPYSIHLPJXOBF-CXAGYDPISA-N 2 2 333.480 2.075 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CC2(C1)C[C@@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001447390781 1102579231 /nfs/dbraw/zinc/57/92/31/1102579231.db2.gz XFAQVWMDXPTSOW-FUHWJXTLSA-N 2 2 345.487 2.049 10 0 EEAELP CC(C)[NH2+]CC1(c2ccccc2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001447590414 1102931725 /nfs/dbraw/zinc/93/17/25/1102931725.db2.gz QTPICUUIRQAKEW-UHFFFAOYSA-N 2 2 340.471 2.442 10 0 EEAELP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497816079 1103141470 /nfs/dbraw/zinc/14/14/70/1103141470.db2.gz JWEAXXLFFCWNBD-HIFRSBDPSA-N 2 2 334.464 2.019 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497816079 1103141473 /nfs/dbraw/zinc/14/14/73/1103141473.db2.gz JWEAXXLFFCWNBD-HIFRSBDPSA-N 2 2 334.464 2.019 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001447932825 1103633485 /nfs/dbraw/zinc/63/34/85/1103633485.db2.gz ZSIHXWCQWRDNLY-CVEARBPZSA-N 2 2 328.460 2.344 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001494660314 1104246640 /nfs/dbraw/zinc/24/66/40/1104246640.db2.gz JONMKQJYGUZTPV-PSCHKXTESA-N 2 2 342.487 2.477 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001494660314 1104246648 /nfs/dbraw/zinc/24/66/48/1104246648.db2.gz JONMKQJYGUZTPV-PSCHKXTESA-N 2 2 342.487 2.477 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H](C)c1cccc(OC)c1 ZINC001495066197 1104705232 /nfs/dbraw/zinc/70/52/32/1104705232.db2.gz UGOOQBWHHVVZMZ-UKRRQHHQSA-N 2 2 330.432 2.206 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)cc1 ZINC001480657149 1106827287 /nfs/dbraw/zinc/82/72/87/1106827287.db2.gz QINIYISDXGCHDN-IBGZPJMESA-N 2 2 340.471 2.262 10 0 EEAELP COc1ccc(C(C)C)cc1C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001498206532 1107081777 /nfs/dbraw/zinc/08/17/77/1107081777.db2.gz FDSVWDZEDDFIMG-HNNXBMFYSA-N 2 2 344.459 2.310 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC[C@@H](C)[NH2+]Cc1cnccc1C ZINC001480773065 1107088348 /nfs/dbraw/zinc/08/83/48/1107088348.db2.gz DACFIUPJGUOQOM-OAHLLOKOSA-N 2 2 342.443 2.021 10 0 EEAELP C[C@H](C[N@H+](C)Cc1c(F)cccc1F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498287437 1107218836 /nfs/dbraw/zinc/21/88/36/1107218836.db2.gz GWWUJPYYFBEHQY-MGPQQGTHSA-N 2 2 339.430 2.242 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1c(F)cccc1F)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001498287437 1107218841 /nfs/dbraw/zinc/21/88/41/1107218841.db2.gz GWWUJPYYFBEHQY-MGPQQGTHSA-N 2 2 339.430 2.242 10 0 EEAELP C[C@H](C[NH+](C)Cc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001498287437 1107218843 /nfs/dbraw/zinc/21/88/43/1107218843.db2.gz GWWUJPYYFBEHQY-MGPQQGTHSA-N 2 2 339.430 2.242 10 0 EEAELP C[C@H](C[NH+](C)Cc1c(F)cccc1F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001498287437 1107218847 /nfs/dbraw/zinc/21/88/47/1107218847.db2.gz GWWUJPYYFBEHQY-MGPQQGTHSA-N 2 2 339.430 2.242 10 0 EEAELP Cc1ccncc1C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498393116 1107443714 /nfs/dbraw/zinc/44/37/14/1107443714.db2.gz QIKZOYGRRYQQRN-HOTGVXAUSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ccncc1C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498393116 1107443719 /nfs/dbraw/zinc/44/37/19/1107443719.db2.gz QIKZOYGRRYQQRN-HOTGVXAUSA-N 2 2 329.448 2.174 10 0 EEAELP C[C@H](C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001498466972 1107587006 /nfs/dbraw/zinc/58/70/06/1107587006.db2.gz XPPTVYRKPNECIS-CHWSQXEVSA-N 2 2 336.386 2.359 10 0 EEAELP C[C@H](C[N@@H+](C)[C@H](C)c1ccc(F)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001498466972 1107587012 /nfs/dbraw/zinc/58/70/12/1107587012.db2.gz XPPTVYRKPNECIS-CHWSQXEVSA-N 2 2 336.386 2.359 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCO)c(C)[nH+]1 ZINC001498485667 1107617548 /nfs/dbraw/zinc/61/75/48/1107617548.db2.gz COOMUTZKJWGUNX-IAGOWNOFSA-N 2 2 333.476 2.267 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC001493219650 1107703416 /nfs/dbraw/zinc/70/34/16/1107703416.db2.gz MDVBFXBEPFZAFA-CQSZACIVSA-N 2 2 348.397 2.108 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC001493219650 1107703428 /nfs/dbraw/zinc/70/34/28/1107703428.db2.gz MDVBFXBEPFZAFA-CQSZACIVSA-N 2 2 348.397 2.108 10 0 EEAELP Cc1nc(CC[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)cs1 ZINC001493597708 1108379687 /nfs/dbraw/zinc/37/96/87/1108379687.db2.gz HWIXAEVGHXCERU-UHFFFAOYSA-N 2 2 343.456 2.232 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCOCC1)n1cc[nH+]c1 ZINC001499000574 1108439030 /nfs/dbraw/zinc/43/90/30/1108439030.db2.gz QXSWCGFBUIZHCD-QZTJIDSGSA-N 2 2 348.491 2.087 10 0 EEAELP CC(C)C[C@H](C(=O)NC[C@H]1CC[N@H+]1CC1CCOCC1)n1cc[nH+]c1 ZINC001499000574 1108439036 /nfs/dbraw/zinc/43/90/36/1108439036.db2.gz QXSWCGFBUIZHCD-QZTJIDSGSA-N 2 2 348.491 2.087 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1oc(C(C)C)nc1C ZINC001499106905 1108595784 /nfs/dbraw/zinc/59/57/84/1108595784.db2.gz NGAQGGICODTSGC-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+]1Cc1oc(C(C)C)nc1C ZINC001499106905 1108595793 /nfs/dbraw/zinc/59/57/93/1108595793.db2.gz NGAQGGICODTSGC-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001499106905 1108595804 /nfs/dbraw/zinc/59/58/04/1108595804.db2.gz NGAQGGICODTSGC-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001499106905 1108595810 /nfs/dbraw/zinc/59/58/10/1108595810.db2.gz NGAQGGICODTSGC-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP COC(=O)CCC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001473829650 1110581909 /nfs/dbraw/zinc/58/19/09/1110581909.db2.gz AXWWBZUJVOHIOJ-UHFFFAOYSA-N 2 2 334.460 2.164 10 0 EEAELP COC(=O)CCC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001473829650 1110581910 /nfs/dbraw/zinc/58/19/10/1110581910.db2.gz AXWWBZUJVOHIOJ-UHFFFAOYSA-N 2 2 334.460 2.164 10 0 EEAELP COC(=O)CCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001473829650 1110581911 /nfs/dbraw/zinc/58/19/11/1110581911.db2.gz AXWWBZUJVOHIOJ-UHFFFAOYSA-N 2 2 334.460 2.164 10 0 EEAELP COC(=O)CCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001473829650 1110581912 /nfs/dbraw/zinc/58/19/12/1110581912.db2.gz AXWWBZUJVOHIOJ-UHFFFAOYSA-N 2 2 334.460 2.164 10 0 EEAELP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001479244231 1110666674 /nfs/dbraw/zinc/66/66/74/1110666674.db2.gz HXSZTRXDZPEGKR-QZTJIDSGSA-N 2 2 332.492 2.235 10 0 EEAELP CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccn1)[NH+](CC)CC ZINC001479244231 1110666675 /nfs/dbraw/zinc/66/66/75/1110666675.db2.gz HXSZTRXDZPEGKR-QZTJIDSGSA-N 2 2 332.492 2.235 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@H]1CCC(F)(F)C1 ZINC001479264364 1110671890 /nfs/dbraw/zinc/67/18/90/1110671890.db2.gz POSIWIWRLDBYLW-UONOGXRCSA-N 2 2 340.418 2.229 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H]1CC[N@H+]1C[C@H]1CCC(F)(F)C1 ZINC001479264364 1110671891 /nfs/dbraw/zinc/67/18/91/1110671891.db2.gz POSIWIWRLDBYLW-UONOGXRCSA-N 2 2 340.418 2.229 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC[C@H]2CCCC2(F)F)CC1 ZINC001499429808 1112282931 /nfs/dbraw/zinc/28/29/31/1112282931.db2.gz BUJJOTCYFWONME-CYBMUJFWSA-N 2 2 340.418 2.325 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H]1C[NH2+]CCCCCF ZINC001499905438 1112535676 /nfs/dbraw/zinc/53/56/76/1112535676.db2.gz PCNDYBWYLTUWIC-RDJZCZTQSA-N 2 2 336.455 2.166 10 0 EEAELP CCOCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001500157275 1112644258 /nfs/dbraw/zinc/64/42/58/1112644258.db2.gz UWFCXLLNKYBLFX-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP CCOCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001500157275 1112644261 /nfs/dbraw/zinc/64/42/61/1112644261.db2.gz UWFCXLLNKYBLFX-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP CCOCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001500157275 1112644264 /nfs/dbraw/zinc/64/42/64/1112644264.db2.gz UWFCXLLNKYBLFX-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP CCOCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001500157275 1112644268 /nfs/dbraw/zinc/64/42/68/1112644268.db2.gz UWFCXLLNKYBLFX-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP CCc1cnc(C[N@@H+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[NH+]3C)C2)o1 ZINC001500226305 1112688237 /nfs/dbraw/zinc/68/82/37/1112688237.db2.gz AWHKIRQUTYTNFV-DNVCBOLYSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[N@H+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[NH+]3C)C2)o1 ZINC001500226305 1112688238 /nfs/dbraw/zinc/68/82/38/1112688238.db2.gz AWHKIRQUTYTNFV-DNVCBOLYSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)o1 ZINC001500226305 1112688239 /nfs/dbraw/zinc/68/82/39/1112688239.db2.gz AWHKIRQUTYTNFV-DNVCBOLYSA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)o1 ZINC001500226305 1112688240 /nfs/dbraw/zinc/68/82/40/1112688240.db2.gz AWHKIRQUTYTNFV-DNVCBOLYSA-N 2 2 348.491 2.192 10 0 EEAELP C[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001500407177 1112808903 /nfs/dbraw/zinc/80/89/03/1112808903.db2.gz YACHJQTWTDEYKB-SFHVURJKSA-N 2 2 348.397 2.190 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CCCF)CCC1(F)F)n1cc[nH+]c1 ZINC001500616819 1112980098 /nfs/dbraw/zinc/98/00/98/1112980098.db2.gz KNPDXQNUIVTAHR-UONOGXRCSA-N 2 2 346.397 2.267 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CCCF)CCC1(F)F)n1cc[nH+]c1 ZINC001500616819 1112980103 /nfs/dbraw/zinc/98/01/03/1112980103.db2.gz KNPDXQNUIVTAHR-UONOGXRCSA-N 2 2 346.397 2.267 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N(CC[NH2+]C/C=C\Cl)Cc1ccccc1 ZINC001501198119 1113238216 /nfs/dbraw/zinc/23/82/16/1113238216.db2.gz VYWLHSGTRWTUCL-DAXSKMNVSA-N 2 2 332.835 2.323 10 0 EEAELP CC(C)CCC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCn1cc[nH+]c1)O2 ZINC001502437035 1113682848 /nfs/dbraw/zinc/68/28/48/1113682848.db2.gz VJUYYMCGOMVKRV-KRWDZBQOSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1CC(C[NH2+]CCCc2ccccc2)C1 ZINC001505532682 1114037723 /nfs/dbraw/zinc/03/77/23/1114037723.db2.gz MWGHXOQLYDUTSL-UHFFFAOYSA-N 2 2 340.471 2.378 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001505663868 1114117442 /nfs/dbraw/zinc/11/74/42/1114117442.db2.gz KGFRZFGSRCGECT-KBPBESRZSA-N 2 2 348.422 2.104 10 0 EEAELP Cc1nc(C[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)C2)oc1C ZINC001506740572 1114850688 /nfs/dbraw/zinc/85/06/88/1114850688.db2.gz AAORIEFNAQGZRX-MRXNPFEDSA-N 2 2 348.491 2.102 10 0 EEAELP Cc1nc(C[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)C2)oc1C ZINC001506740572 1114850695 /nfs/dbraw/zinc/85/06/95/1114850695.db2.gz AAORIEFNAQGZRX-MRXNPFEDSA-N 2 2 348.491 2.102 10 0 EEAELP Cc1nc(C[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)oc1C ZINC001506740572 1114850696 /nfs/dbraw/zinc/85/06/96/1114850696.db2.gz AAORIEFNAQGZRX-MRXNPFEDSA-N 2 2 348.491 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)oc1C ZINC001506740572 1114850699 /nfs/dbraw/zinc/85/06/99/1114850699.db2.gz AAORIEFNAQGZRX-MRXNPFEDSA-N 2 2 348.491 2.102 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001507091946 1115103941 /nfs/dbraw/zinc/10/39/41/1115103941.db2.gz LAIBAGJJTNMPBM-WBVHZDCISA-N 2 2 344.503 2.462 10 0 EEAELP Cc1conc1C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001507386868 1115245158 /nfs/dbraw/zinc/24/51/58/1115245158.db2.gz RBTHTYTZJORBNW-IRXDYDNUSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1conc1C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001507386868 1115245159 /nfs/dbraw/zinc/24/51/59/1115245159.db2.gz RBTHTYTZJORBNW-IRXDYDNUSA-N 2 2 348.491 2.328 10 0 EEAELP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2csc(C)n2)CC1)[NH+](C)C ZINC001508208748 1115445875 /nfs/dbraw/zinc/44/58/75/1115445875.db2.gz KJOKXPGEHUPBNY-MRXNPFEDSA-N 2 2 336.505 2.040 10 0 EEAELP CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2csc(C)n2)CC1)[NH+](C)C ZINC001508208748 1115445876 /nfs/dbraw/zinc/44/58/76/1115445876.db2.gz KJOKXPGEHUPBNY-MRXNPFEDSA-N 2 2 336.505 2.040 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001567913939 1124174764 /nfs/dbraw/zinc/17/47/64/1124174764.db2.gz LXVBPTNPMCHRLG-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP CCOCCC[N@H+]1CC[C@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001567913939 1124174766 /nfs/dbraw/zinc/17/47/66/1124174766.db2.gz LXVBPTNPMCHRLG-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001568331392 1124422687 /nfs/dbraw/zinc/42/26/87/1124422687.db2.gz QJCMBMYDPKWTSZ-ACYLFWIKSA-N 2 2 338.883 2.319 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cs1 ZINC001568395504 1124466211 /nfs/dbraw/zinc/46/62/11/1124466211.db2.gz UYXBTNAKQKRLBM-MRXNPFEDSA-N 2 2 347.488 2.278 10 0 EEAELP CCCC[NH2+][C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC001568460309 1124523426 /nfs/dbraw/zinc/52/34/26/1124523426.db2.gz GYSSJBKPQPPLPK-MSOLQXFVSA-N 2 2 339.524 2.160 10 0 EEAELP CCCC[NH2+][C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC001568460309 1124523438 /nfs/dbraw/zinc/52/34/38/1124523438.db2.gz GYSSJBKPQPPLPK-MSOLQXFVSA-N 2 2 339.524 2.160 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)CCn1cc[nH+]c1 ZINC001569072200 1125081029 /nfs/dbraw/zinc/08/10/29/1125081029.db2.gz QJGQWXZNIHTTDL-FUHWJXTLSA-N 2 2 340.471 2.488 10 0 EEAELP CC(C)CNC(=O)Nc1ncc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725271308 539992085 /nfs/dbraw/zinc/99/20/85/539992085.db2.gz BYCOEEAWIGIXTL-DGCLKSJQSA-N 2 2 325.482 2.090 10 0 EEAELP CC(C)CNC(=O)Nc1ncc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)s1 ZINC000725271308 539992088 /nfs/dbraw/zinc/99/20/88/539992088.db2.gz BYCOEEAWIGIXTL-DGCLKSJQSA-N 2 2 325.482 2.090 10 0 EEAELP Cc1cc(Br)cn2c(CN[C@@H]3C[NH2+]CC[C@H]3C)c[nH+]c12 ZINC000414933540 238754826 /nfs/dbraw/zinc/75/48/26/238754826.db2.gz RZOWQHWJHPWGCT-QMTHXVAHSA-N 2 2 337.265 2.493 10 0 EEAELP CCOc1cc(CCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1OC ZINC000422749718 240205568 /nfs/dbraw/zinc/20/55/68/240205568.db2.gz APAWWMZJDWGOJL-VQTJNVASSA-N 2 2 348.487 2.383 10 0 EEAELP c1coc([C@H](CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+]2CCCCC2)c1 ZINC000422966702 240312044 /nfs/dbraw/zinc/31/20/44/240312044.db2.gz RVWIRHVSORKAPB-QXAKKESOSA-N 2 2 333.476 2.163 10 0 EEAELP c1coc([C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)N2CCCCC2)c1 ZINC000422966702 240312047 /nfs/dbraw/zinc/31/20/47/240312047.db2.gz RVWIRHVSORKAPB-QXAKKESOSA-N 2 2 333.476 2.163 10 0 EEAELP CCOC(=O)C1([C@@H](C)Nc2ccc(N3CCCC3)[nH+]c2)CC[NH2+]CC1 ZINC000422981894 240316799 /nfs/dbraw/zinc/31/67/99/240316799.db2.gz PNPOWSTYVNKOGR-OAHLLOKOSA-N 2 2 346.475 2.415 10 0 EEAELP CCC(C)(C)OCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000457634046 244613625 /nfs/dbraw/zinc/61/36/25/244613625.db2.gz ZMSSDOCFCOROLV-UHFFFAOYSA-N 2 2 339.524 2.258 10 0 EEAELP C[C@H]1CCC[C@@](CNC(=O)NCc2ccc[nH+]c2N(C)C)([NH+](C)C)C1 ZINC000080322393 217297905 /nfs/dbraw/zinc/29/79/05/217297905.db2.gz UBRXUZSJPNCRCU-HNAYVOBHSA-N 2 2 347.507 2.457 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246741697 296344377 /nfs/dbraw/zinc/34/43/77/296344377.db2.gz MTDKEXLSCBSVDP-OWSLCNJRSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246741697 296344379 /nfs/dbraw/zinc/34/43/79/296344379.db2.gz MTDKEXLSCBSVDP-OWSLCNJRSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246741697 296344381 /nfs/dbraw/zinc/34/43/81/296344381.db2.gz MTDKEXLSCBSVDP-OWSLCNJRSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246741697 296344386 /nfs/dbraw/zinc/34/43/86/296344386.db2.gz MTDKEXLSCBSVDP-OWSLCNJRSA-N 2 2 339.524 2.112 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000153587089 224126384 /nfs/dbraw/zinc/12/63/84/224126384.db2.gz BZXOIUSVAGTHOI-GOSISDBHSA-N 2 2 328.460 2.213 10 0 EEAELP CCc1cc(NC[C@H]2CCCN2c2cc(NC)[nH+]cn2)nc(C)[nH+]1 ZINC000272867166 256244878 /nfs/dbraw/zinc/24/48/78/256244878.db2.gz NBRVDFKIZSHTHM-CQSZACIVSA-N 2 2 327.436 2.260 10 0 EEAELP C[NH+]1CCC(CC(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000273261452 256281560 /nfs/dbraw/zinc/28/15/60/256281560.db2.gz SYRPARKFROMVRG-UHFFFAOYSA-N 2 2 340.471 2.474 10 0 EEAELP C[C@H](c1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1)[NH+]1CCOCC1 ZINC000263184154 152397287 /nfs/dbraw/zinc/39/72/87/152397287.db2.gz HCLIKFITQJYUMY-DOMZBBRYSA-N 2 2 339.386 2.016 10 0 EEAELP C[N@H+](CCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000377328172 154143773 /nfs/dbraw/zinc/14/37/73/154143773.db2.gz AFHYRWSFAMAZKM-AWEZNQCLSA-N 2 2 333.480 2.221 10 0 EEAELP C[N@@H+](CCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000377328172 154143777 /nfs/dbraw/zinc/14/37/77/154143777.db2.gz AFHYRWSFAMAZKM-AWEZNQCLSA-N 2 2 333.480 2.221 10 0 EEAELP C[N@H+](CCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000377328172 154143782 /nfs/dbraw/zinc/14/37/82/154143782.db2.gz AFHYRWSFAMAZKM-AWEZNQCLSA-N 2 2 333.480 2.221 10 0 EEAELP C[N@@H+](CCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000377328172 154143788 /nfs/dbraw/zinc/14/37/88/154143788.db2.gz AFHYRWSFAMAZKM-AWEZNQCLSA-N 2 2 333.480 2.221 10 0 EEAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377343457 154153415 /nfs/dbraw/zinc/15/34/15/154153415.db2.gz DOBVIVXDUBRDJG-CABCVRRESA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000377343457 154153418 /nfs/dbraw/zinc/15/34/18/154153418.db2.gz DOBVIVXDUBRDJG-CABCVRRESA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377343457 154153423 /nfs/dbraw/zinc/15/34/23/154153423.db2.gz DOBVIVXDUBRDJG-CABCVRRESA-N 2 2 347.507 2.467 10 0 EEAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000377343457 154153426 /nfs/dbraw/zinc/15/34/26/154153426.db2.gz DOBVIVXDUBRDJG-CABCVRRESA-N 2 2 347.507 2.467 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@]2(C)CCCc3ccccc32)CC1 ZINC000177145702 159876786 /nfs/dbraw/zinc/87/67/86/159876786.db2.gz VRNUPJUOKAFJKW-OAQYLSRUSA-N 2 2 343.515 2.423 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000186303648 160066217 /nfs/dbraw/zinc/06/62/17/160066217.db2.gz AOCYNOYQJAXJCT-UHFFFAOYSA-N 2 2 345.491 2.176 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000246527515 160282633 /nfs/dbraw/zinc/28/26/33/160282633.db2.gz XQYNAZMMKCIDBJ-IRXDYDNUSA-N 2 2 341.459 2.145 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000246527515 160282635 /nfs/dbraw/zinc/28/26/35/160282635.db2.gz XQYNAZMMKCIDBJ-IRXDYDNUSA-N 2 2 341.459 2.145 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)CS(C)(=O)=O)c(C)c1 ZINC000341880969 161021159 /nfs/dbraw/zinc/02/11/59/161021159.db2.gz QHBRLVKUTHEUDA-WBVHZDCISA-N 2 2 335.473 2.264 10 0 EEAELP C[C@]1(C(N)=O)CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900448 161022897 /nfs/dbraw/zinc/02/28/97/161022897.db2.gz IXTANURZNDUJAH-AZUAARDMSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@]1(C(N)=O)CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900448 161022898 /nfs/dbraw/zinc/02/28/98/161022898.db2.gz IXTANURZNDUJAH-AZUAARDMSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@]1(C(N)=O)CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341900448 161022899 /nfs/dbraw/zinc/02/28/99/161022899.db2.gz IXTANURZNDUJAH-AZUAARDMSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@]1(C(N)=O)CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341900448 161022900 /nfs/dbraw/zinc/02/29/00/161022900.db2.gz IXTANURZNDUJAH-AZUAARDMSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@H]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000342084517 161038271 /nfs/dbraw/zinc/03/82/71/161038271.db2.gz BCPDTCHJVUTZEV-QWJAOUKZSA-N 2 2 348.535 2.375 10 0 EEAELP C[C@H]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000342084517 161038272 /nfs/dbraw/zinc/03/82/72/161038272.db2.gz BCPDTCHJVUTZEV-QWJAOUKZSA-N 2 2 348.535 2.375 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555839 161146262 /nfs/dbraw/zinc/14/62/62/161146262.db2.gz FZXRXSYGZJHFRY-CTNGQTDRSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555839 161146263 /nfs/dbraw/zinc/14/62/63/161146263.db2.gz FZXRXSYGZJHFRY-CTNGQTDRSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555850 161146343 /nfs/dbraw/zinc/14/63/43/161146343.db2.gz FZXRXSYGZJHFRY-TZIWHRDSSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343555850 161146344 /nfs/dbraw/zinc/14/63/44/161146344.db2.gz FZXRXSYGZJHFRY-TZIWHRDSSA-N 3 2 344.547 2.124 10 0 EEAELP CCn1nccc1C[N@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355475090 163202487 /nfs/dbraw/zinc/20/24/87/163202487.db2.gz QQNHGHZFLKMIPQ-UHFFFAOYSA-N 2 2 325.416 2.083 10 0 EEAELP CCn1nccc1C[N@@H+](CCO)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000355475090 163202489 /nfs/dbraw/zinc/20/24/89/163202489.db2.gz QQNHGHZFLKMIPQ-UHFFFAOYSA-N 2 2 325.416 2.083 10 0 EEAELP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000355752941 163290149 /nfs/dbraw/zinc/29/01/49/163290149.db2.gz XTYBCRXKRPOYDE-IXDOHACOSA-N 2 2 333.476 2.290 10 0 EEAELP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000355752941 163290151 /nfs/dbraw/zinc/29/01/51/163290151.db2.gz XTYBCRXKRPOYDE-IXDOHACOSA-N 2 2 333.476 2.290 10 0 EEAELP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000359335793 164115265 /nfs/dbraw/zinc/11/52/65/164115265.db2.gz RTEZNDZPZZSWTI-XEZPLFJOSA-N 2 2 345.447 2.289 10 0 EEAELP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000359335793 164115268 /nfs/dbraw/zinc/11/52/68/164115268.db2.gz RTEZNDZPZZSWTI-XEZPLFJOSA-N 2 2 345.447 2.289 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103378 166051865 /nfs/dbraw/zinc/05/18/65/166051865.db2.gz VIRPPOKYJIROOF-WFASDCNBSA-N 2 2 348.472 2.379 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103378 166051867 /nfs/dbraw/zinc/05/18/67/166051867.db2.gz VIRPPOKYJIROOF-WFASDCNBSA-N 2 2 348.472 2.379 10 0 EEAELP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000375898703 167221427 /nfs/dbraw/zinc/22/14/27/167221427.db2.gz WKJGIAHYUUPMPS-AEFFLSMTSA-N 2 2 326.444 2.144 10 0 EEAELP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3[nH]ncc32)C1 ZINC000375898703 167221429 /nfs/dbraw/zinc/22/14/29/167221429.db2.gz WKJGIAHYUUPMPS-AEFFLSMTSA-N 2 2 326.444 2.144 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000291453150 275306812 /nfs/dbraw/zinc/30/68/12/275306812.db2.gz JZDIGHFNZCCRLS-GOSISDBHSA-N 2 2 344.434 2.497 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292045460 275367419 /nfs/dbraw/zinc/36/74/19/275367419.db2.gz AZTHLAVMFIPCTK-XLIONFOSSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292045460 275367420 /nfs/dbraw/zinc/36/74/20/275367420.db2.gz AZTHLAVMFIPCTK-XLIONFOSSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292045460 275367421 /nfs/dbraw/zinc/36/74/21/275367421.db2.gz AZTHLAVMFIPCTK-XLIONFOSSA-N 2 2 329.488 2.451 10 0 EEAELP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292045460 275367422 /nfs/dbraw/zinc/36/74/22/275367422.db2.gz AZTHLAVMFIPCTK-XLIONFOSSA-N 2 2 329.488 2.451 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292208842 275394307 /nfs/dbraw/zinc/39/43/07/275394307.db2.gz TVNPQGSJXXHNIK-XLIONFOSSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292208842 275394309 /nfs/dbraw/zinc/39/43/09/275394309.db2.gz TVNPQGSJXXHNIK-XLIONFOSSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292208842 275394311 /nfs/dbraw/zinc/39/43/11/275394311.db2.gz TVNPQGSJXXHNIK-XLIONFOSSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292208842 275394313 /nfs/dbraw/zinc/39/43/13/275394313.db2.gz TVNPQGSJXXHNIK-XLIONFOSSA-N 2 2 329.488 2.070 10 0 EEAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000449398827 278371265 /nfs/dbraw/zinc/37/12/65/278371265.db2.gz ZAUXMNZUNOWZIE-OFLPRAFFSA-N 2 2 340.508 2.323 10 0 EEAELP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000449398827 278371266 /nfs/dbraw/zinc/37/12/66/278371266.db2.gz ZAUXMNZUNOWZIE-OFLPRAFFSA-N 2 2 340.508 2.323 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC000248791547 295369549 /nfs/dbraw/zinc/36/95/49/295369549.db2.gz XTBNRTDMBATDLM-UXLLHSPISA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1=O ZINC000248791547 295369552 /nfs/dbraw/zinc/36/95/52/295369552.db2.gz XTBNRTDMBATDLM-UXLLHSPISA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000248791547 295369553 /nfs/dbraw/zinc/36/95/53/295369553.db2.gz XTBNRTDMBATDLM-UXLLHSPISA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1=O ZINC000248791547 295369556 /nfs/dbraw/zinc/36/95/56/295369556.db2.gz XTBNRTDMBATDLM-UXLLHSPISA-N 2 2 331.460 2.215 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[N@@H+]1C ZINC000340960781 312260277 /nfs/dbraw/zinc/26/02/77/312260277.db2.gz OCMISKNBTYSJPX-YPMHNXCESA-N 2 2 335.839 2.270 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[N@H+]1C ZINC000340960781 312260279 /nfs/dbraw/zinc/26/02/79/312260279.db2.gz OCMISKNBTYSJPX-YPMHNXCESA-N 2 2 335.839 2.270 10 0 EEAELP Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)C1=O 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CTNYZBSLZHOABL-VQTJNVASSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)ccn1 ZINC000527663721 317239930 /nfs/dbraw/zinc/23/99/30/317239930.db2.gz CTNYZBSLZHOABL-VQTJNVASSA-N 2 2 325.456 2.363 10 0 EEAELP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCCO1 ZINC000527753929 317256056 /nfs/dbraw/zinc/25/60/56/317256056.db2.gz BSHJFUDSAZKSRV-ROUUACIJSA-N 2 2 338.879 2.434 10 0 EEAELP Cc1c[nH+]cn1Cc1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000528121228 317322927 /nfs/dbraw/zinc/32/29/27/317322927.db2.gz ZQSGRMNASXAFRI-MRXNPFEDSA-N 2 2 339.399 2.196 10 0 EEAELP Cc1c[nH+]cn1Cc1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000528121228 317322930 /nfs/dbraw/zinc/32/29/30/317322930.db2.gz ZQSGRMNASXAFRI-MRXNPFEDSA-N 2 2 339.399 2.196 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NCCCCNc1cccc[nH+]1 ZINC000538686045 318041159 /nfs/dbraw/zinc/04/11/59/318041159.db2.gz PYAPJLPFFMWLHN-UHFFFAOYSA-N 2 2 327.432 2.165 10 0 EEAELP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(Cc3[nH+]ccn3C)C1=O)CC2 ZINC000542153070 318122714 /nfs/dbraw/zinc/12/27/14/318122714.db2.gz DLBVPSPUEKXBPW-QZTJIDSGSA-N 2 2 338.455 2.497 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@H]1CCOC1 ZINC000545949105 318235203 /nfs/dbraw/zinc/23/52/03/318235203.db2.gz LROUGGDQFWAXKT-UONOGXRCSA-N 2 2 328.416 2.372 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@H]1CCOC1 ZINC000545949105 318235205 /nfs/dbraw/zinc/23/52/05/318235205.db2.gz LROUGGDQFWAXKT-UONOGXRCSA-N 2 2 328.416 2.372 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000557167971 318672180 /nfs/dbraw/zinc/67/21/80/318672180.db2.gz PMFJHJQCKFFGRU-MRXNPFEDSA-N 2 2 333.480 2.213 10 0 EEAELP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000563978403 319061489 /nfs/dbraw/zinc/06/14/89/319061489.db2.gz FYFFYBWXEJUORK-UQTNFYOXSA-N 2 2 345.531 2.489 10 0 EEAELP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000563978403 319061491 /nfs/dbraw/zinc/06/14/91/319061491.db2.gz FYFFYBWXEJUORK-UQTNFYOXSA-N 2 2 345.531 2.489 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000563978403 319061494 /nfs/dbraw/zinc/06/14/94/319061494.db2.gz FYFFYBWXEJUORK-UQTNFYOXSA-N 2 2 345.531 2.489 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000563978403 319061496 /nfs/dbraw/zinc/06/14/96/319061496.db2.gz FYFFYBWXEJUORK-UQTNFYOXSA-N 2 2 345.531 2.489 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000564941047 319130778 /nfs/dbraw/zinc/13/07/78/319130778.db2.gz YJRJMJYIGGWGHL-NFAWXSAZSA-N 2 2 329.366 2.093 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000564941047 319130780 /nfs/dbraw/zinc/13/07/80/319130780.db2.gz YJRJMJYIGGWGHL-NFAWXSAZSA-N 2 2 329.366 2.093 10 0 EEAELP O=C1NCCCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565479797 319186555 /nfs/dbraw/zinc/18/65/55/319186555.db2.gz LHXPHPIGIZGNMG-QZTJIDSGSA-N 2 2 327.472 2.442 10 0 EEAELP O=C1NCCCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565479797 319186557 /nfs/dbraw/zinc/18/65/57/319186557.db2.gz LHXPHPIGIZGNMG-QZTJIDSGSA-N 2 2 327.472 2.442 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000566419362 319283800 /nfs/dbraw/zinc/28/38/00/319283800.db2.gz SVEAKXQCLUPMKW-LJQANCHMSA-N 2 2 331.504 2.074 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000566419362 319283802 /nfs/dbraw/zinc/28/38/02/319283802.db2.gz SVEAKXQCLUPMKW-LJQANCHMSA-N 2 2 331.504 2.074 10 0 EEAELP C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000571300410 319743531 /nfs/dbraw/zinc/74/35/31/319743531.db2.gz BDLUTMCYESJZEN-VXGBXAGGSA-N 2 2 335.839 2.175 10 0 EEAELP CC(C)NC(=O)NCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000575398023 320103965 /nfs/dbraw/zinc/10/39/65/320103965.db2.gz XUABMQNLOKMWRW-HNNXBMFYSA-N 2 2 333.480 2.106 10 0 EEAELP CC(C)NC(=O)NCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000575398023 320103967 /nfs/dbraw/zinc/10/39/67/320103967.db2.gz XUABMQNLOKMWRW-HNNXBMFYSA-N 2 2 333.480 2.106 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000577735862 320272831 /nfs/dbraw/zinc/27/28/31/320272831.db2.gz URXCPVHCPFWVNG-UHFFFAOYSA-N 2 2 332.473 2.406 10 0 EEAELP CC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000578374655 320310819 /nfs/dbraw/zinc/31/08/19/320310819.db2.gz GFLIUYJAASLQDP-HOTGVXAUSA-N 2 2 339.911 2.331 10 0 EEAELP CC[N@@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000578374655 320310821 /nfs/dbraw/zinc/31/08/21/320310821.db2.gz GFLIUYJAASLQDP-HOTGVXAUSA-N 2 2 339.911 2.331 10 0 EEAELP Cc1nc(N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107100 447888573 /nfs/dbraw/zinc/88/85/73/447888573.db2.gz LFJJVNHJSVEKMU-XJKSGUPXSA-N 2 2 326.448 2.321 10 0 EEAELP Cc1nc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107100 447888579 /nfs/dbraw/zinc/88/85/79/447888579.db2.gz LFJJVNHJSVEKMU-XJKSGUPXSA-N 2 2 326.448 2.321 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000351515578 465196915 /nfs/dbraw/zinc/19/69/15/465196915.db2.gz BXGRMDHMOANVNP-SJLPKXTDSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000351515578 465196918 /nfs/dbraw/zinc/19/69/18/465196918.db2.gz BXGRMDHMOANVNP-SJLPKXTDSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000351515578 465196921 /nfs/dbraw/zinc/19/69/21/465196921.db2.gz BXGRMDHMOANVNP-SJLPKXTDSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)n1 ZINC000351515578 465196912 /nfs/dbraw/zinc/19/69/12/465196912.db2.gz BXGRMDHMOANVNP-SJLPKXTDSA-N 2 2 334.508 2.469 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000337289927 465288147 /nfs/dbraw/zinc/28/81/47/465288147.db2.gz NWACSUHXFCTWIV-LJQANCHMSA-N 2 2 338.455 2.342 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000337301388 465294036 /nfs/dbraw/zinc/29/40/36/465294036.db2.gz RIBOZWSPDOMJPD-GOSISDBHSA-N 2 2 342.487 2.446 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000337301388 465294040 /nfs/dbraw/zinc/29/40/40/465294040.db2.gz RIBOZWSPDOMJPD-GOSISDBHSA-N 2 2 342.487 2.446 10 0 EEAELP CN(CCC[NH+]1CCCC1)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000358835447 465350351 /nfs/dbraw/zinc/35/03/51/465350351.db2.gz POBYCHDCOQQSLO-UHFFFAOYSA-N 2 2 347.385 2.073 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000127706959 462575801 /nfs/dbraw/zinc/57/58/01/462575801.db2.gz KSCHVNVRVVVCFB-CRAIPNDOSA-N 2 2 326.444 2.486 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000127706959 462575804 /nfs/dbraw/zinc/57/58/04/462575804.db2.gz KSCHVNVRVVVCFB-CRAIPNDOSA-N 2 2 326.444 2.486 10 0 EEAELP CC[NH+](CC)CCC[C@H](C)Nc1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000152894687 462594213 /nfs/dbraw/zinc/59/42/13/462594213.db2.gz NFVUQYGJCQLRIB-JKSUJKDBSA-N 2 2 335.496 2.360 10 0 EEAELP CC[NH+](CC)CCC[C@H](C)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000152894687 462594217 /nfs/dbraw/zinc/59/42/17/462594217.db2.gz NFVUQYGJCQLRIB-JKSUJKDBSA-N 2 2 335.496 2.360 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000046280088 462667437 /nfs/dbraw/zinc/66/74/37/462667437.db2.gz VQUIBRYZKKBBJV-OAHLLOKOSA-N 2 2 338.521 2.306 10 0 EEAELP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000579105215 468311400 /nfs/dbraw/zinc/31/14/00/468311400.db2.gz BCFICCJBGSMALM-CYBMUJFWSA-N 2 2 326.322 2.070 10 0 EEAELP Cc1ccc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000154312633 462753025 /nfs/dbraw/zinc/75/30/25/462753025.db2.gz CFVYRGWTFAXLGM-YOFSQIOKSA-N 2 2 341.499 2.307 10 0 EEAELP Cc1ccc(CC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000154312633 462753031 /nfs/dbraw/zinc/75/30/31/462753031.db2.gz CFVYRGWTFAXLGM-YOFSQIOKSA-N 2 2 341.499 2.307 10 0 EEAELP CCC[NH+]1CCC(N(C)C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000066178364 462859056 /nfs/dbraw/zinc/85/90/56/462859056.db2.gz BLXBBPHTQDJQLH-UHFFFAOYSA-N 2 2 333.480 2.163 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123109097 463317599 /nfs/dbraw/zinc/31/75/99/463317599.db2.gz MTDKEXLSCBSVDP-TVFCKZIOSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123109097 463317601 /nfs/dbraw/zinc/31/76/01/463317601.db2.gz MTDKEXLSCBSVDP-TVFCKZIOSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123109097 463317603 /nfs/dbraw/zinc/31/76/03/463317603.db2.gz MTDKEXLSCBSVDP-TVFCKZIOSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123109097 463317604 /nfs/dbraw/zinc/31/76/04/463317604.db2.gz MTDKEXLSCBSVDP-TVFCKZIOSA-N 2 2 339.524 2.112 10 0 EEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000123444182 463343128 /nfs/dbraw/zinc/34/31/28/463343128.db2.gz BGXHZEOIUTYYIZ-LJQANCHMSA-N 2 2 338.455 2.422 10 0 EEAELP c1ccc(Cn2nnnc2C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000097200615 463345667 /nfs/dbraw/zinc/34/56/67/463345667.db2.gz ULQMCGHQCDAACS-QGZVFWFLSA-N 2 2 349.442 2.050 10 0 EEAELP c1ccc(Cn2nnnc2C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000097200615 463345672 /nfs/dbraw/zinc/34/56/72/463345672.db2.gz ULQMCGHQCDAACS-QGZVFWFLSA-N 2 2 349.442 2.050 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000069921165 463351810 /nfs/dbraw/zinc/35/18/10/463351810.db2.gz FRBGWSZJUSUDAP-INIZCTEOSA-N 2 2 337.427 2.499 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@@H+]1C ZINC000123731944 463363742 /nfs/dbraw/zinc/36/37/42/463363742.db2.gz CVYSIBDUYWPGCI-IUODEOHRSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@H+]1C ZINC000123731944 463363747 /nfs/dbraw/zinc/36/37/47/463363747.db2.gz CVYSIBDUYWPGCI-IUODEOHRSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1C ZINC000123731944 463363753 /nfs/dbraw/zinc/36/37/53/463363753.db2.gz CVYSIBDUYWPGCI-IUODEOHRSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1C ZINC000123731944 463363756 /nfs/dbraw/zinc/36/37/56/463363756.db2.gz CVYSIBDUYWPGCI-IUODEOHRSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@@H+]1C ZINC000123732546 463363918 /nfs/dbraw/zinc/36/39/18/463363918.db2.gz CVYSIBDUYWPGCI-WFASDCNBSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[N@H+]1C ZINC000123732546 463363924 /nfs/dbraw/zinc/36/39/24/463363924.db2.gz CVYSIBDUYWPGCI-WFASDCNBSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1C ZINC000123732546 463363929 /nfs/dbraw/zinc/36/39/29/463363929.db2.gz CVYSIBDUYWPGCI-WFASDCNBSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Cl)ccc3n2)CC[NH+]1C ZINC000123732546 463363932 /nfs/dbraw/zinc/36/39/32/463363932.db2.gz CVYSIBDUYWPGCI-WFASDCNBSA-N 2 2 334.851 2.262 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccc(F)cc2)[C@H](C)C1 ZINC000081095760 463394203 /nfs/dbraw/zinc/39/42/03/463394203.db2.gz PPCQOADAABCIPK-CRAIPNDOSA-N 2 2 335.467 2.147 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccc(F)cc2)[C@H](C)C1 ZINC000081095760 463394209 /nfs/dbraw/zinc/39/42/09/463394209.db2.gz PPCQOADAABCIPK-CRAIPNDOSA-N 2 2 335.467 2.147 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccc(F)cc2)[C@H](C)C1 ZINC000081095760 463394212 /nfs/dbraw/zinc/39/42/12/463394212.db2.gz PPCQOADAABCIPK-CRAIPNDOSA-N 2 2 335.467 2.147 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccc(F)cc2)[C@H](C)C1 ZINC000081095760 463394217 /nfs/dbraw/zinc/39/42/17/463394217.db2.gz PPCQOADAABCIPK-CRAIPNDOSA-N 2 2 335.467 2.147 10 0 EEAELP C[C@H](O)C[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CCCCC1 ZINC000104965277 463430407 /nfs/dbraw/zinc/43/04/07/463430407.db2.gz FMOOXYOTISXEEX-FXAWDEMLSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@H](O)C[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CCCCC1 ZINC000104965277 463430413 /nfs/dbraw/zinc/43/04/13/463430413.db2.gz FMOOXYOTISXEEX-FXAWDEMLSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@H](O)C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000104965277 463430417 /nfs/dbraw/zinc/43/04/17/463430417.db2.gz FMOOXYOTISXEEX-FXAWDEMLSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@H](O)C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000104965277 463430422 /nfs/dbraw/zinc/43/04/22/463430422.db2.gz FMOOXYOTISXEEX-FXAWDEMLSA-N 2 2 334.504 2.495 10 0 EEAELP CCc1nc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cs1 ZINC000071859659 463444486 /nfs/dbraw/zinc/44/44/86/463444486.db2.gz HXOVOLBCCZAWCV-CYBMUJFWSA-N 2 2 332.477 2.296 10 0 EEAELP CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)[NH+](C)C ZINC000161766536 463456233 /nfs/dbraw/zinc/45/62/33/463456233.db2.gz LTCFPBMNMOCUPQ-SFHVURJKSA-N 2 2 332.492 2.103 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151276628 463505798 /nfs/dbraw/zinc/50/57/98/463505798.db2.gz IUEKWMPKAJDMOD-PKOBYXMFSA-N 3 2 349.519 2.124 10 0 EEAELP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000348101180 465423593 /nfs/dbraw/zinc/42/35/93/465423593.db2.gz ICLUZUCAIMVTQX-IRXDYDNUSA-N 2 2 331.508 2.403 10 0 EEAELP Cc1cc2n(n1)C[C@H](C[NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CN2 ZINC000058296071 463571908 /nfs/dbraw/zinc/57/19/08/463571908.db2.gz ZBVFFTOAZLHIJR-GOSISDBHSA-N 2 2 336.443 2.268 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2c(O)cccc2F)([NH+]2CCCCC2)CC1 ZINC000126589483 463649840 /nfs/dbraw/zinc/64/98/40/463649840.db2.gz GAYWNFFJOKPLHR-UHFFFAOYSA-N 2 2 349.450 2.211 10 0 EEAELP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000261614371 463802401 /nfs/dbraw/zinc/80/24/01/463802401.db2.gz FFIXPHWTTDDCIA-QGZVFWFLSA-N 2 2 330.476 2.464 10 0 EEAELP CC(C)c1nnc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000268933919 463814862 /nfs/dbraw/zinc/81/48/62/463814862.db2.gz ZORZAQJQEZNCCM-UHFFFAOYSA-N 2 2 334.449 2.203 10 0 EEAELP C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000195282193 464031636 /nfs/dbraw/zinc/03/16/36/464031636.db2.gz NAIOSBHTCRQUBN-IEBWSBKVSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000195282193 464031639 /nfs/dbraw/zinc/03/16/39/464031639.db2.gz NAIOSBHTCRQUBN-IEBWSBKVSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000195282193 464031642 /nfs/dbraw/zinc/03/16/42/464031642.db2.gz NAIOSBHTCRQUBN-IEBWSBKVSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000195282193 464031647 /nfs/dbraw/zinc/03/16/47/464031647.db2.gz NAIOSBHTCRQUBN-IEBWSBKVSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000263202237 464061927 /nfs/dbraw/zinc/06/19/27/464061927.db2.gz JEPJGNUZWUKMHH-JSGCOSHPSA-N 2 2 325.403 2.229 10 0 EEAELP CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000284874723 464376010 /nfs/dbraw/zinc/37/60/10/464376010.db2.gz SRTRXRFWCDZEJR-INIZCTEOSA-N 2 2 327.432 2.148 10 0 EEAELP C[NH+]1CCC(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000189158485 464447492 /nfs/dbraw/zinc/44/74/92/464447492.db2.gz DPNLKFHFSKDWGV-UHFFFAOYSA-N 2 2 335.879 2.156 10 0 EEAELP CC(C)COC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000181445401 464491403 /nfs/dbraw/zinc/49/14/03/464491403.db2.gz CYTUQWHICLEMCX-HOTGVXAUSA-N 2 2 326.481 2.007 10 0 EEAELP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000272205834 464518734 /nfs/dbraw/zinc/51/87/34/464518734.db2.gz IDDNAPDEDJNFRT-HUUCEWRRSA-N 2 2 327.432 2.118 10 0 EEAELP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@H+]1CCC[C@@H](C)C1 ZINC000272205834 464518739 /nfs/dbraw/zinc/51/87/39/464518739.db2.gz IDDNAPDEDJNFRT-HUUCEWRRSA-N 2 2 327.432 2.118 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000272289855 464550777 /nfs/dbraw/zinc/55/07/77/464550777.db2.gz JLHSQQQNOIYYQE-UHFFFAOYSA-N 2 2 339.443 2.358 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000272289855 464550783 /nfs/dbraw/zinc/55/07/83/464550783.db2.gz JLHSQQQNOIYYQE-UHFFFAOYSA-N 2 2 339.443 2.358 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000175475189 464557750 /nfs/dbraw/zinc/55/77/50/464557750.db2.gz CXNREOWINBEJJH-JKSUJKDBSA-N 2 2 333.480 2.307 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000175475189 464557755 /nfs/dbraw/zinc/55/77/55/464557755.db2.gz CXNREOWINBEJJH-JKSUJKDBSA-N 2 2 333.480 2.307 10 0 EEAELP Cc1nscc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000182079935 464566990 /nfs/dbraw/zinc/56/69/90/464566990.db2.gz BBLCMDLNRNQHTR-UHFFFAOYSA-N 2 2 336.505 2.132 10 0 EEAELP CC[C@H]([NH2+]Cc1cccnc1-n1cc[nH+]c1)C1(C(=O)OC)CCC1 ZINC000272594666 464672506 /nfs/dbraw/zinc/67/25/06/464672506.db2.gz WVQHKTRIJVHAIZ-HNNXBMFYSA-N 2 2 328.416 2.479 10 0 EEAELP CC[C@@H]([NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC(C)(C)C ZINC000190605581 464686478 /nfs/dbraw/zinc/68/64/78/464686478.db2.gz MTPOURUYLMMNMK-ZIAGYGMSSA-N 2 2 349.479 2.197 10 0 EEAELP CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000366392822 465698980 /nfs/dbraw/zinc/69/89/80/465698980.db2.gz AYYMQIJJCXIICW-INIZCTEOSA-N 2 2 348.472 2.057 10 0 EEAELP CS(=O)(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000366392822 465698988 /nfs/dbraw/zinc/69/89/88/465698988.db2.gz AYYMQIJJCXIICW-INIZCTEOSA-N 2 2 348.472 2.057 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc3cc[nH]c3n2)CC1 ZINC000361140736 465793614 /nfs/dbraw/zinc/79/36/14/465793614.db2.gz HEVBHZMQHBTUNK-UHFFFAOYSA-N 2 2 330.432 2.070 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000371443730 465799453 /nfs/dbraw/zinc/79/94/53/465799453.db2.gz SRCDLFOZZPGLKY-VQIMIIECSA-N 2 2 338.455 2.438 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000371443730 465799457 /nfs/dbraw/zinc/79/94/57/465799457.db2.gz SRCDLFOZZPGLKY-VQIMIIECSA-N 2 2 338.455 2.438 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000371443730 465799463 /nfs/dbraw/zinc/79/94/63/465799463.db2.gz SRCDLFOZZPGLKY-VQIMIIECSA-N 2 2 338.455 2.438 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000371443730 465799471 /nfs/dbraw/zinc/79/94/71/465799471.db2.gz SRCDLFOZZPGLKY-VQIMIIECSA-N 2 2 338.455 2.438 10 0 EEAELP COC(=O)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)nc1C1CC1 ZINC000597133546 468455663 /nfs/dbraw/zinc/45/56/63/468455663.db2.gz URLOBWZDIPWTLW-UHFFFAOYSA-N 2 2 326.400 2.178 10 0 EEAELP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000366831209 465960191 /nfs/dbraw/zinc/96/01/91/465960191.db2.gz UKOOVTWGHYEIMS-KBMXLJTQSA-N 2 2 328.416 2.335 10 0 EEAELP CC(C)Cc1nsc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000302273510 466128487 /nfs/dbraw/zinc/12/84/87/466128487.db2.gz HYFYQYDHEUPUOJ-XYPWUTKMSA-N 2 2 349.548 2.484 10 0 EEAELP CC(C)Cc1nsc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000302273510 466128506 /nfs/dbraw/zinc/12/85/06/466128506.db2.gz HYFYQYDHEUPUOJ-XYPWUTKMSA-N 2 2 349.548 2.484 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000361689669 466206908 /nfs/dbraw/zinc/20/69/08/466206908.db2.gz PKAYRQBHHKZIOB-UHFFFAOYSA-N 2 2 326.444 2.481 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000357984951 466366370 /nfs/dbraw/zinc/36/63/70/466366370.db2.gz BGECBHMBCXYRMI-VQIMIIECSA-N 2 2 329.488 2.150 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000357984951 466366377 /nfs/dbraw/zinc/36/63/77/466366377.db2.gz BGECBHMBCXYRMI-VQIMIIECSA-N 2 2 329.488 2.150 10 0 EEAELP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423060435 466690346 /nfs/dbraw/zinc/69/03/46/466690346.db2.gz IGPMLEQGXVJAGS-IJXRJRJASA-N 3 2 331.504 2.383 10 0 EEAELP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423060435 466690343 /nfs/dbraw/zinc/69/03/43/466690343.db2.gz IGPMLEQGXVJAGS-IJXRJRJASA-N 3 2 331.504 2.383 10 0 EEAELP CC[C@@H](CC(F)F)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967987 471238684 /nfs/dbraw/zinc/23/86/84/471238684.db2.gz LMQCFXRFIDCQRM-ZFWWWQNUSA-N 2 2 331.451 2.295 10 0 EEAELP CC[C@@H](CC(F)F)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967987 471238688 /nfs/dbraw/zinc/23/86/88/471238688.db2.gz LMQCFXRFIDCQRM-ZFWWWQNUSA-N 2 2 331.451 2.295 10 0 EEAELP C[NH2+]CCN(C)C(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000417934601 466992738 /nfs/dbraw/zinc/99/27/38/466992738.db2.gz PUFPLSDJAPQUGB-QGZVFWFLSA-N 2 2 329.448 2.102 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417945502 466997805 /nfs/dbraw/zinc/99/78/05/466997805.db2.gz DJTMWPAZMDHXRG-LYRGGWFBSA-N 2 2 340.418 2.007 10 0 EEAELP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417945502 466997809 /nfs/dbraw/zinc/99/78/09/466997809.db2.gz DJTMWPAZMDHXRG-LYRGGWFBSA-N 2 2 340.418 2.007 10 0 EEAELP CC(C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCCCC1 ZINC000378089362 467195242 /nfs/dbraw/zinc/19/52/42/467195242.db2.gz FLAJAHSFZUEJQR-CRAIPNDOSA-N 2 2 347.507 2.467 10 0 EEAELP CC(C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCCCCC1 ZINC000378089362 467195246 /nfs/dbraw/zinc/19/52/46/467195246.db2.gz FLAJAHSFZUEJQR-CRAIPNDOSA-N 2 2 347.507 2.467 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429027477 467293626 /nfs/dbraw/zinc/29/36/26/467293626.db2.gz ZUEKOMKNXWZLFL-OXJNMPFZSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429027477 467293629 /nfs/dbraw/zinc/29/36/29/467293629.db2.gz ZUEKOMKNXWZLFL-OXJNMPFZSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429027477 467293631 /nfs/dbraw/zinc/29/36/31/467293631.db2.gz ZUEKOMKNXWZLFL-OXJNMPFZSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429027477 467293633 /nfs/dbraw/zinc/29/36/33/467293633.db2.gz ZUEKOMKNXWZLFL-OXJNMPFZSA-N 2 2 329.488 2.454 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351618 467374250 /nfs/dbraw/zinc/37/42/50/467374250.db2.gz AAGHIQWQVMZXPJ-KSSFIOAISA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420351618 467374253 /nfs/dbraw/zinc/37/42/53/467374253.db2.gz AAGHIQWQVMZXPJ-KSSFIOAISA-N 2 2 335.879 2.420 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000381691919 467374911 /nfs/dbraw/zinc/37/49/11/467374911.db2.gz SJYGLXUMXIKRJQ-MOPGFXCFSA-N 2 2 329.488 2.499 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000381691919 467374915 /nfs/dbraw/zinc/37/49/15/467374915.db2.gz SJYGLXUMXIKRJQ-MOPGFXCFSA-N 2 2 329.488 2.499 10 0 EEAELP Cn1c[nH+]c(CC[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)c1 ZINC000414130382 467381344 /nfs/dbraw/zinc/38/13/44/467381344.db2.gz WSGVVEHLQAWCDT-ZWKOTPCHSA-N 2 2 348.878 2.278 10 0 EEAELP Cn1c[nH+]c(CC[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000414130379 467381441 /nfs/dbraw/zinc/38/14/41/467381441.db2.gz WSGVVEHLQAWCDT-MSOLQXFVSA-N 2 2 348.878 2.278 10 0 EEAELP O=C1[C@@H]([N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420391145 467391411 /nfs/dbraw/zinc/39/14/11/467391411.db2.gz YQVNQQGBSZROIC-PKOBYXMFSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@@H]([N@H+]2CCC[C@]3(CC[NH2+]C3)C2)CCCN1c1cccc(F)c1 ZINC000420391145 467391415 /nfs/dbraw/zinc/39/14/15/467391415.db2.gz YQVNQQGBSZROIC-PKOBYXMFSA-N 2 2 331.435 2.397 10 0 EEAELP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414836511 467436053 /nfs/dbraw/zinc/43/60/53/467436053.db2.gz SSUWHOOAHNBAFK-AWEZNQCLSA-N 2 2 342.365 2.459 10 0 EEAELP CC1=CC[N@H+](CC[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449243372 467625383 /nfs/dbraw/zinc/62/53/83/467625383.db2.gz KJIJWZAKTUKBNR-MRXNPFEDSA-N 2 2 336.501 2.435 10 0 EEAELP CC1=CC[N@@H+](CC[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449243372 467625384 /nfs/dbraw/zinc/62/53/84/467625384.db2.gz KJIJWZAKTUKBNR-MRXNPFEDSA-N 2 2 336.501 2.435 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)Cn3cc[nH+]c3C)CC2)s1 ZINC000457571621 467655029 /nfs/dbraw/zinc/65/50/29/467655029.db2.gz HZNHABMHGILRDA-UHFFFAOYSA-N 2 2 332.473 2.160 10 0 EEAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)C1CC(F)(F)C1 ZINC000529529638 467876089 /nfs/dbraw/zinc/87/60/89/467876089.db2.gz AWIIADXAVVLENE-CQSZACIVSA-N 2 2 339.434 2.012 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514938364 467964340 /nfs/dbraw/zinc/96/43/40/467964340.db2.gz GNXGQJHNQQYCIN-QINHECLXSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000514938364 467964342 /nfs/dbraw/zinc/96/43/42/467964342.db2.gz GNXGQJHNQQYCIN-QINHECLXSA-N 2 2 327.472 2.428 10 0 EEAELP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cccc21 ZINC000517009979 468063788 /nfs/dbraw/zinc/06/37/88/468063788.db2.gz SDHRADLRBUJOGL-XJKSGUPXSA-N 2 2 340.427 2.469 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000519399460 468159347 /nfs/dbraw/zinc/15/93/47/468159347.db2.gz QBEWBXLWZCCSJD-WOJBJXKFSA-N 3 2 343.515 2.230 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520249147 468238569 /nfs/dbraw/zinc/23/85/69/468238569.db2.gz PYDLMYPNADWCBX-GOSISDBHSA-N 2 2 338.455 2.286 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520249147 468238572 /nfs/dbraw/zinc/23/85/72/468238572.db2.gz PYDLMYPNADWCBX-GOSISDBHSA-N 2 2 338.455 2.286 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cncc(Br)c1 ZINC000569824479 468550520 /nfs/dbraw/zinc/55/05/20/468550520.db2.gz BIISHFFCRPDOPW-IUODEOHRSA-N 2 2 342.281 2.342 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cncc(Br)c1 ZINC000569824479 468550522 /nfs/dbraw/zinc/55/05/22/468550522.db2.gz BIISHFFCRPDOPW-IUODEOHRSA-N 2 2 342.281 2.342 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000570222463 468607437 /nfs/dbraw/zinc/60/74/37/468607437.db2.gz AKOJUTPZLZRWQO-DOTOQJQBSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000570222463 468607443 /nfs/dbraw/zinc/60/74/43/468607443.db2.gz AKOJUTPZLZRWQO-DOTOQJQBSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000570222463 468607447 /nfs/dbraw/zinc/60/74/47/468607447.db2.gz AKOJUTPZLZRWQO-DOTOQJQBSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000570222463 468607452 /nfs/dbraw/zinc/60/74/52/468607452.db2.gz AKOJUTPZLZRWQO-DOTOQJQBSA-N 2 2 326.868 2.068 10 0 EEAELP CC(C)(C)OC(=O)C1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nn2)CC1 ZINC000600966532 468699714 /nfs/dbraw/zinc/69/97/14/468699714.db2.gz IGZFEOJJUKLEMW-UHFFFAOYSA-N 2 2 343.431 2.216 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](OC(F)F)C3)c2cc1C ZINC000570945327 468718665 /nfs/dbraw/zinc/71/86/65/468718665.db2.gz DIZBUOXINAQZNK-KGLIPLIRSA-N 2 2 339.386 2.328 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](OC(F)F)C3)c2cc1C ZINC000570945327 468718669 /nfs/dbraw/zinc/71/86/69/468718669.db2.gz DIZBUOXINAQZNK-KGLIPLIRSA-N 2 2 339.386 2.328 10 0 EEAELP C[N@@H+]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCc5c[nH+]cn5C4)cc3c2C1 ZINC000614701838 469021728 /nfs/dbraw/zinc/02/17/28/469021728.db2.gz BFRJFTNEHJSIDG-CQSZACIVSA-N 2 2 349.438 2.097 10 0 EEAELP C[N@H+]1CCc2[nH]c3ccc(C(=O)N[C@@H]4CCc5c[nH+]cn5C4)cc3c2C1 ZINC000614701838 469021734 /nfs/dbraw/zinc/02/17/34/469021734.db2.gz BFRJFTNEHJSIDG-CQSZACIVSA-N 2 2 349.438 2.097 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000588691673 469158442 /nfs/dbraw/zinc/15/84/42/469158442.db2.gz QEOCYEMYHZMXET-QZTJIDSGSA-N 2 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000588691673 469158449 /nfs/dbraw/zinc/15/84/49/469158449.db2.gz QEOCYEMYHZMXET-QZTJIDSGSA-N 2 2 328.460 2.082 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000588691673 469158455 /nfs/dbraw/zinc/15/84/55/469158455.db2.gz QEOCYEMYHZMXET-QZTJIDSGSA-N 2 2 328.460 2.082 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000588691673 469158462 /nfs/dbraw/zinc/15/84/62/469158462.db2.gz QEOCYEMYHZMXET-QZTJIDSGSA-N 2 2 328.460 2.082 10 0 EEAELP C[C@@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[N@@H+]1CCC[C@@H](C)C1 ZINC000588968752 469184466 /nfs/dbraw/zinc/18/44/66/469184466.db2.gz BBYZOGLCLQQRRB-CABCVRRESA-N 2 2 333.480 2.139 10 0 EEAELP C[C@@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[N@H+]1CCC[C@@H](C)C1 ZINC000588968752 469184477 /nfs/dbraw/zinc/18/44/77/469184477.db2.gz BBYZOGLCLQQRRB-CABCVRRESA-N 2 2 333.480 2.139 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[NH2+]1 ZINC000625859208 469413373 /nfs/dbraw/zinc/41/33/73/469413373.db2.gz HOMRKAKYCZWHAW-HUUCEWRRSA-N 2 2 343.431 2.224 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)Cc3ccco3)CC2)CC1 ZINC000616381462 469435016 /nfs/dbraw/zinc/43/50/16/469435016.db2.gz QWUZPYBFYQIHQL-KRWDZBQOSA-N 2 2 347.503 2.477 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)Cc3ccco3)CC2)CC1 ZINC000616381462 469435021 /nfs/dbraw/zinc/43/50/21/469435021.db2.gz QWUZPYBFYQIHQL-KRWDZBQOSA-N 2 2 347.503 2.477 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629384991 469527415 /nfs/dbraw/zinc/52/74/15/469527415.db2.gz KXKPJUFMPIBVBL-IBGZPJMESA-N 2 2 340.471 2.296 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629384991 469527421 /nfs/dbraw/zinc/52/74/21/469527421.db2.gz KXKPJUFMPIBVBL-IBGZPJMESA-N 2 2 340.471 2.296 10 0 EEAELP [NH3+]C1(C[NH2+]Cc2ccccc2OCc2ccccn2)CCOCC1 ZINC000629388498 469528818 /nfs/dbraw/zinc/52/88/18/469528818.db2.gz SEADXRKUDIHUCA-UHFFFAOYSA-N 2 2 327.428 2.258 10 0 EEAELP C[C@@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000617013282 469572798 /nfs/dbraw/zinc/57/27/98/469572798.db2.gz PXKDRMDIJZOBGI-YJBOKZPZSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000617013282 469572806 /nfs/dbraw/zinc/57/28/06/469572806.db2.gz PXKDRMDIJZOBGI-YJBOKZPZSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC000617013282 469572810 /nfs/dbraw/zinc/57/28/10/469572810.db2.gz PXKDRMDIJZOBGI-YJBOKZPZSA-N 2 2 329.488 2.422 10 0 EEAELP C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC000617013282 469572816 /nfs/dbraw/zinc/57/28/16/469572816.db2.gz PXKDRMDIJZOBGI-YJBOKZPZSA-N 2 2 329.488 2.422 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@@H]3CCCOC3)c2cc1C ZINC000629587110 469586189 /nfs/dbraw/zinc/58/61/89/469586189.db2.gz YFEWGBUAONEZBR-IRXDYDNUSA-N 2 2 331.460 2.420 10 0 EEAELP COc1ncc(Br)cc1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000623664809 469728280 /nfs/dbraw/zinc/72/82/80/469728280.db2.gz PAQWEHMDFMBSMJ-UHFFFAOYSA-N 2 2 337.221 2.285 10 0 EEAELP Cc1nc2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2s1 ZINC000617764312 469795581 /nfs/dbraw/zinc/79/55/81/469795581.db2.gz RFEZWEUJGKLMNO-UHFFFAOYSA-N 2 2 334.489 2.218 10 0 EEAELP Cc1nc2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2s1 ZINC000617764312 469795586 /nfs/dbraw/zinc/79/55/86/469795586.db2.gz RFEZWEUJGKLMNO-UHFFFAOYSA-N 2 2 334.489 2.218 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000617766313 469797932 /nfs/dbraw/zinc/79/79/32/469797932.db2.gz GDQXRTOTLGDNIW-ZIAGYGMSSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000617766313 469797937 /nfs/dbraw/zinc/79/79/37/469797937.db2.gz GDQXRTOTLGDNIW-ZIAGYGMSSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(-c2ccccc2)n1 ZINC000617768088 469798943 /nfs/dbraw/zinc/79/89/43/469798943.db2.gz OJSYYYYPNJHQTL-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(-c2ccccc2)n1 ZINC000617768088 469798947 /nfs/dbraw/zinc/79/89/47/469798947.db2.gz OJSYYYYPNJHQTL-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000627240965 469854813 /nfs/dbraw/zinc/85/48/13/469854813.db2.gz GJPLSGLFNLEOOW-NBMRYCAZSA-N 2 2 339.443 2.161 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000620623722 469877876 /nfs/dbraw/zinc/87/78/76/469877876.db2.gz GHZMGVURBKAVSX-UHFFFAOYSA-N 2 2 347.503 2.369 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000620623722 469877878 /nfs/dbraw/zinc/87/78/78/469877878.db2.gz GHZMGVURBKAVSX-UHFFFAOYSA-N 2 2 347.503 2.369 10 0 EEAELP [NH3+][C@@H](c1cn(Cc2cn3cc(Cl)ccc3[nH+]2)nn1)C1CCOCC1 ZINC000630589322 469913307 /nfs/dbraw/zinc/91/33/07/469913307.db2.gz FRSGSZDPKWWECZ-MRXNPFEDSA-N 2 2 346.822 2.054 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C[NH+](C)CCO)c2)C1 ZINC000614383886 469927093 /nfs/dbraw/zinc/92/70/93/469927093.db2.gz FADPYHIAWMKQDI-ZDUSSCGKSA-N 2 2 339.867 2.044 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C[NH+](C)CCO)c2)C1 ZINC000614383886 469927095 /nfs/dbraw/zinc/92/70/95/469927095.db2.gz FADPYHIAWMKQDI-ZDUSSCGKSA-N 2 2 339.867 2.044 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)C1 ZINC000614383886 469927099 /nfs/dbraw/zinc/92/70/99/469927099.db2.gz FADPYHIAWMKQDI-ZDUSSCGKSA-N 2 2 339.867 2.044 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)C1 ZINC000614383886 469927101 /nfs/dbraw/zinc/92/71/01/469927101.db2.gz FADPYHIAWMKQDI-ZDUSSCGKSA-N 2 2 339.867 2.044 10 0 EEAELP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c(C)[nH+]1 ZINC000627753969 469993218 /nfs/dbraw/zinc/99/32/18/469993218.db2.gz IJTDXVJCOWONCV-INIZCTEOSA-N 2 2 344.459 2.160 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)CC2 ZINC000624712796 470006759 /nfs/dbraw/zinc/00/67/59/470006759.db2.gz NZNZPTFEROFIGM-ROUUACIJSA-N 2 2 340.471 2.481 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000621333594 470032814 /nfs/dbraw/zinc/03/28/14/470032814.db2.gz JSSMBFYSNHHQFH-IBGZPJMESA-N 2 2 342.487 2.326 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000621333594 470032815 /nfs/dbraw/zinc/03/28/15/470032815.db2.gz JSSMBFYSNHHQFH-IBGZPJMESA-N 2 2 342.487 2.326 10 0 EEAELP O=C(C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)N1CC[NH+](CCCF)CC1 ZINC000627961938 470034166 /nfs/dbraw/zinc/03/41/66/470034166.db2.gz SSTUWIZZWUZTTJ-QGZVFWFLSA-N 2 2 344.434 2.436 10 0 EEAELP OCCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCC1 ZINC000631091038 470066350 /nfs/dbraw/zinc/06/63/50/470066350.db2.gz JVPIPVSUVYCIJO-UHFFFAOYSA-N 2 2 348.487 2.040 10 0 EEAELP CCOc1cncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000621727679 470100604 /nfs/dbraw/zinc/10/06/04/470100604.db2.gz MHHQONHUNFWGEG-DFNIBXOVSA-N 2 2 344.503 2.223 10 0 EEAELP CCOc1cncc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000621727679 470100606 /nfs/dbraw/zinc/10/06/06/470100606.db2.gz MHHQONHUNFWGEG-DFNIBXOVSA-N 2 2 344.503 2.223 10 0 EEAELP CCOc1cncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000621727679 470100607 /nfs/dbraw/zinc/10/06/07/470100607.db2.gz MHHQONHUNFWGEG-DFNIBXOVSA-N 2 2 344.503 2.223 10 0 EEAELP CCOc1cncc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000621727679 470100609 /nfs/dbraw/zinc/10/06/09/470100609.db2.gz MHHQONHUNFWGEG-DFNIBXOVSA-N 2 2 344.503 2.223 10 0 EEAELP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2cc(C)cc(Br)c2C1 ZINC000631834800 470186445 /nfs/dbraw/zinc/18/64/45/470186445.db2.gz FUJRUJRWGJVMDK-HNNXBMFYSA-N 2 2 327.266 2.086 10 0 EEAELP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2cc(C)cc(Br)c2C1 ZINC000631834800 470186446 /nfs/dbraw/zinc/18/64/46/470186446.db2.gz FUJRUJRWGJVMDK-HNNXBMFYSA-N 2 2 327.266 2.086 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(OC(F)F)cc1 ZINC000631885437 470189332 /nfs/dbraw/zinc/18/93/32/470189332.db2.gz AFGYSANIJXVYTB-SWLSCSKDSA-N 2 2 339.386 2.300 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(OC(F)F)cc1 ZINC000631885437 470189333 /nfs/dbraw/zinc/18/93/33/470189333.db2.gz AFGYSANIJXVYTB-SWLSCSKDSA-N 2 2 339.386 2.300 10 0 EEAELP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000632796508 470271574 /nfs/dbraw/zinc/27/15/74/470271574.db2.gz ZJLINPJDIUYRKI-WBVHZDCISA-N 2 2 328.391 2.335 10 0 EEAELP CCCc1ncc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000634716075 470285542 /nfs/dbraw/zinc/28/55/42/470285542.db2.gz ODEIHXMWGHHFQH-IBGZPJMESA-N 2 2 329.444 2.354 10 0 EEAELP CCCc1ncc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000634716075 470285543 /nfs/dbraw/zinc/28/55/43/470285543.db2.gz ODEIHXMWGHHFQH-IBGZPJMESA-N 2 2 329.444 2.354 10 0 EEAELP CC1([NH+]2CCCC2)CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000632913944 470286654 /nfs/dbraw/zinc/28/66/54/470286654.db2.gz CIJPNNACCWINCN-UHFFFAOYSA-N 2 2 333.480 2.323 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000648778330 470344193 /nfs/dbraw/zinc/34/41/93/470344193.db2.gz UXMAEIFRQLAXFO-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cn21 ZINC000645932244 470464169 /nfs/dbraw/zinc/46/41/69/470464169.db2.gz AEWBQBCNPWZWII-DOTOQJQBSA-N 2 2 343.475 2.309 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cn21 ZINC000645932244 470464174 /nfs/dbraw/zinc/46/41/74/470464174.db2.gz AEWBQBCNPWZWII-DOTOQJQBSA-N 2 2 343.475 2.309 10 0 EEAELP CC1(OCC(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)C[NH2+]C1 ZINC000649277304 470523490 /nfs/dbraw/zinc/52/34/90/470523490.db2.gz TZOJKMBGYIEDRZ-UHFFFAOYSA-N 2 2 328.416 2.080 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000633884906 470618759 /nfs/dbraw/zinc/61/87/59/470618759.db2.gz HBGSLDUINIVVTO-GOSISDBHSA-N 2 2 326.444 2.444 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000633884906 470618763 /nfs/dbraw/zinc/61/87/63/470618763.db2.gz HBGSLDUINIVVTO-GOSISDBHSA-N 2 2 326.444 2.444 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)n(-c2ccccn2)n1 ZINC000647172191 470848741 /nfs/dbraw/zinc/84/87/41/470848741.db2.gz LUOBTGMLXKXLFJ-UHFFFAOYSA-N 2 2 348.454 2.417 10 0 EEAELP c1ccc(N2CC[C@H](C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000638119381 470973298 /nfs/dbraw/zinc/97/32/98/470973298.db2.gz PXEZAECHUDIIRU-RBUKOAKNSA-N 2 2 329.488 2.167 10 0 EEAELP c1ccc(N2CC[C@H](C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000638119381 470973302 /nfs/dbraw/zinc/97/33/02/470973302.db2.gz PXEZAECHUDIIRU-RBUKOAKNSA-N 2 2 329.488 2.167 10 0 EEAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2snc(OC)c2Br)C1 ZINC000638380272 471067548 /nfs/dbraw/zinc/06/75/48/471067548.db2.gz AREDTGKMSJUVPL-SECBINFHSA-N 2 2 334.283 2.346 10 0 EEAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2snc(OC)c2Br)C1 ZINC000638380272 471067551 /nfs/dbraw/zinc/06/75/51/471067551.db2.gz AREDTGKMSJUVPL-SECBINFHSA-N 2 2 334.283 2.346 10 0 EEAELP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000648073112 471077327 /nfs/dbraw/zinc/07/73/27/471077327.db2.gz BXBNUNDFKWECNF-OAHLLOKOSA-N 2 2 329.366 2.323 10 0 EEAELP CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](CCCc2ccc(C)[nH+]c2)C1 ZINC000648073112 471077335 /nfs/dbraw/zinc/07/73/35/471077335.db2.gz BXBNUNDFKWECNF-OAHLLOKOSA-N 2 2 329.366 2.323 10 0 EEAELP CC[C@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000644895734 471083753 /nfs/dbraw/zinc/08/37/53/471083753.db2.gz UGXXVZLJCGPWJB-ULQDDVLXSA-N 2 2 336.524 2.423 10 0 EEAELP CC[C@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)CC1 ZINC000644895734 471083759 /nfs/dbraw/zinc/08/37/59/471083759.db2.gz UGXXVZLJCGPWJB-ULQDDVLXSA-N 2 2 336.524 2.423 10 0 EEAELP c1cn(Cc2ccccc2)c(Cn2cc(C[C@H]3CCC[NH2+]C3)nn2)[nH+]1 ZINC000640942483 471131109 /nfs/dbraw/zinc/13/11/09/471131109.db2.gz JLLWMAZRPJXPEB-QGZVFWFLSA-N 2 2 336.443 2.113 10 0 EEAELP Nc1nc(N2CC[NH+](Cc3ccsc3)CC2)c2c([nH+]1)CCCC2 ZINC000645103479 471138867 /nfs/dbraw/zinc/13/88/67/471138867.db2.gz UJJKUCKHSHOJKE-UHFFFAOYSA-N 2 2 329.473 2.321 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000657573684 471172036 /nfs/dbraw/zinc/17/20/36/471172036.db2.gz OMDRFORDJLFRGZ-SVFBPWRDSA-N 3 2 346.563 2.369 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000657573684 471172040 /nfs/dbraw/zinc/17/20/40/471172040.db2.gz OMDRFORDJLFRGZ-SVFBPWRDSA-N 3 2 346.563 2.369 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000657574350 471173316 /nfs/dbraw/zinc/17/33/16/471173316.db2.gz WTDMNRQBXCUUAO-KRWDZBQOSA-N 3 2 329.492 2.234 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)n1-c1ccccc1 ZINC000657637927 471194958 /nfs/dbraw/zinc/19/49/58/471194958.db2.gz LWJBWHUCSQIUPY-DZGCQCFKSA-N 2 2 333.457 2.236 10 0 EEAELP [NH3+]CC1(CCNC(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000652165020 471248490 /nfs/dbraw/zinc/24/84/90/471248490.db2.gz CTADBZWMQQDSOY-UHFFFAOYSA-N 2 2 341.459 2.054 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000658340038 471290322 /nfs/dbraw/zinc/29/03/22/471290322.db2.gz AOHJSATZWLNDMO-RBUKOAKNSA-N 2 2 339.487 2.124 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@@H]2CCCn3nccc32)C1 ZINC000658340038 471290325 /nfs/dbraw/zinc/29/03/25/471290325.db2.gz AOHJSATZWLNDMO-RBUKOAKNSA-N 2 2 339.487 2.124 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000658994391 471461805 /nfs/dbraw/zinc/46/18/05/471461805.db2.gz ZBLFMHVGXWCBKQ-OAHLLOKOSA-N 2 2 345.447 2.457 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccc[nH+]c1N1CCCC1 ZINC000660821666 471499281 /nfs/dbraw/zinc/49/92/81/471499281.db2.gz HHNBKJCPGNOXIB-OAHLLOKOSA-N 2 2 333.480 2.211 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000669552085 471547525 /nfs/dbraw/zinc/54/75/25/471547525.db2.gz WEUQDOFJKOOJTP-NZVBXONLSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000669552085 471547530 /nfs/dbraw/zinc/54/75/30/471547530.db2.gz WEUQDOFJKOOJTP-NZVBXONLSA-N 2 2 342.846 2.261 10 0 EEAELP Cc1nccnc1N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000669620722 471579015 /nfs/dbraw/zinc/57/90/15/471579015.db2.gz DGKNIFRECCEIEV-UHFFFAOYSA-N 2 2 340.456 2.354 10 0 EEAELP Cc1nc(N2CCC3(CCC([NH+](C)C)CC3)CC2)nc(N(C)C)[nH+]1 ZINC000663946933 471585546 /nfs/dbraw/zinc/58/55/46/471585546.db2.gz XHDPPVSQHWYYNA-UHFFFAOYSA-N 2 2 332.496 2.337 10 0 EEAELP Cc1nc(N(C)C)nc(N2CCC3(CCC([NH+](C)C)CC3)CC2)[nH+]1 ZINC000663946933 471585553 /nfs/dbraw/zinc/58/55/53/471585553.db2.gz XHDPPVSQHWYYNA-UHFFFAOYSA-N 2 2 332.496 2.337 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659442150 471630049 /nfs/dbraw/zinc/63/00/49/471630049.db2.gz ZDSZMWGAQOAFAG-KRWDZBQOSA-N 2 2 333.480 2.085 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000664195337 471671544 /nfs/dbraw/zinc/67/15/44/471671544.db2.gz BUVNRBUTSQEJHA-INIZCTEOSA-N 3 2 334.512 2.151 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(N2CCCCC2)[nH+]cn1 ZINC000664195337 471671549 /nfs/dbraw/zinc/67/15/49/471671549.db2.gz BUVNRBUTSQEJHA-INIZCTEOSA-N 3 2 334.512 2.151 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(N2CCCCC2)ncn1 ZINC000664195337 471671552 /nfs/dbraw/zinc/67/15/52/471671552.db2.gz BUVNRBUTSQEJHA-INIZCTEOSA-N 2 2 334.512 2.151 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(N2CCCCC2)ncn1 ZINC000664195337 471671557 /nfs/dbraw/zinc/67/15/57/471671557.db2.gz BUVNRBUTSQEJHA-INIZCTEOSA-N 2 2 334.512 2.151 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCCCC2)O1 ZINC000653908150 471774872 /nfs/dbraw/zinc/77/48/72/471774872.db2.gz GDXWYZFZRZJMKG-MRXNPFEDSA-N 2 2 349.519 2.153 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC2(CCCCC2)O1 ZINC000653908150 471774876 /nfs/dbraw/zinc/77/48/76/471774876.db2.gz GDXWYZFZRZJMKG-MRXNPFEDSA-N 2 2 349.519 2.153 10 0 EEAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000667516579 471806119 /nfs/dbraw/zinc/80/61/19/471806119.db2.gz AYIRFAAOXDBVLQ-OAHLLOKOSA-N 2 2 339.443 2.383 10 0 EEAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000667516579 471806121 /nfs/dbraw/zinc/80/61/21/471806121.db2.gz AYIRFAAOXDBVLQ-OAHLLOKOSA-N 2 2 339.443 2.383 10 0 EEAELP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665278737 471987930 /nfs/dbraw/zinc/98/79/30/471987930.db2.gz NPHQIUHREILCIM-KNCVXQGMSA-N 2 2 348.512 2.422 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H](CC(F)(F)F)C2)CC1 ZINC000662228523 472036979 /nfs/dbraw/zinc/03/69/79/472036979.db2.gz GPGRFOHWILVNLH-HNNXBMFYSA-N 2 2 337.430 2.056 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H](CC(F)(F)F)C2)CC1 ZINC000662228523 472036983 /nfs/dbraw/zinc/03/69/83/472036983.db2.gz GPGRFOHWILVNLH-HNNXBMFYSA-N 2 2 337.430 2.056 10 0 EEAELP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)CC[C@H]1F ZINC000662325819 472072882 /nfs/dbraw/zinc/07/28/82/472072882.db2.gz QFTQWYCTBARCHB-CHWSQXEVSA-N 2 2 344.228 2.149 10 0 EEAELP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CC[C@H]1F ZINC000662325819 472072887 /nfs/dbraw/zinc/07/28/87/472072887.db2.gz QFTQWYCTBARCHB-CHWSQXEVSA-N 2 2 344.228 2.149 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc3c2OCCCO3)CCO1 ZINC000668786252 472266593 /nfs/dbraw/zinc/26/65/93/472266593.db2.gz XOTSHBQMSNNQIZ-QGZVFWFLSA-N 2 2 334.460 2.391 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc3c2OCCCO3)CCO1 ZINC000668786252 472266602 /nfs/dbraw/zinc/26/66/02/472266602.db2.gz XOTSHBQMSNNQIZ-QGZVFWFLSA-N 2 2 334.460 2.391 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662877417 472288126 /nfs/dbraw/zinc/28/81/26/472288126.db2.gz BDAVZWKSSHQJRE-QGZVFWFLSA-N 2 2 340.427 2.062 10 0 EEAELP CCc1nc2cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc2o1 ZINC000666099767 472303131 /nfs/dbraw/zinc/30/31/31/472303131.db2.gz FAQFFWNFAQYJFK-UHFFFAOYSA-N 2 2 347.463 2.395 10 0 EEAELP CCc1nc2cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc2o1 ZINC000666099767 472303136 /nfs/dbraw/zinc/30/31/36/472303136.db2.gz FAQFFWNFAQYJFK-UHFFFAOYSA-N 2 2 347.463 2.395 10 0 EEAELP Cn1ccc2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000666178161 472337132 /nfs/dbraw/zinc/33/71/32/472337132.db2.gz JGTYAIMMKINGHO-UHFFFAOYSA-N 2 2 331.464 2.183 10 0 EEAELP Cn1ccc2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000666178161 472337138 /nfs/dbraw/zinc/33/71/38/472337138.db2.gz JGTYAIMMKINGHO-UHFFFAOYSA-N 2 2 331.464 2.183 10 0 EEAELP O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc2[nH+]ccn2c1 ZINC000673668703 485493611 /nfs/dbraw/zinc/49/36/11/485493611.db2.gz GGGIVCOVXGZWLI-UHFFFAOYSA-N 2 2 349.438 2.485 10 0 EEAELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000660656594 485592432 /nfs/dbraw/zinc/59/24/32/485592432.db2.gz NDWUAOQYMSMTGQ-UQTNFYOXSA-N 2 2 345.531 2.489 10 0 EEAELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000660656594 485592439 /nfs/dbraw/zinc/59/24/39/485592439.db2.gz NDWUAOQYMSMTGQ-UQTNFYOXSA-N 2 2 345.531 2.489 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000660656594 485592446 /nfs/dbraw/zinc/59/24/46/485592446.db2.gz NDWUAOQYMSMTGQ-UQTNFYOXSA-N 2 2 345.531 2.489 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000660656594 485592451 /nfs/dbraw/zinc/59/24/51/485592451.db2.gz NDWUAOQYMSMTGQ-UQTNFYOXSA-N 2 2 345.531 2.489 10 0 EEAELP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCc4[nH+]ccn4C3)cccc21 ZINC000684089790 485757867 /nfs/dbraw/zinc/75/78/67/485757867.db2.gz RWUPRVXVIRFLIA-BBRMVZONSA-N 2 2 340.427 2.469 10 0 EEAELP CO[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684373875 485863262 /nfs/dbraw/zinc/86/32/62/485863262.db2.gz DDFAOXXVQLIAGS-PKOBYXMFSA-N 3 2 332.492 2.141 10 0 EEAELP Cc1ccccc1C[N@H+]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000676077165 486133486 /nfs/dbraw/zinc/13/34/86/486133486.db2.gz PLKDEMLPHRUOQB-UHFFFAOYSA-N 2 2 340.475 2.267 10 0 EEAELP Cc1ccccc1C[N@@H+]1CCCN(c2nc(C)[nH+]c(N(C)C)n2)CC1 ZINC000676077165 486133492 /nfs/dbraw/zinc/13/34/92/486133492.db2.gz PLKDEMLPHRUOQB-UHFFFAOYSA-N 2 2 340.475 2.267 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H]3CC4CCC3CC4)C2)CC1 ZINC000676154676 486155916 /nfs/dbraw/zinc/15/59/16/486155916.db2.gz QFHAOHRHBNVCLZ-IOTAOYMUSA-N 2 2 334.508 2.033 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H]3CC4CCC3CC4)C2)CC1 ZINC000676154676 486155921 /nfs/dbraw/zinc/15/59/21/486155921.db2.gz QFHAOHRHBNVCLZ-IOTAOYMUSA-N 2 2 334.508 2.033 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCC2CS(=O)(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000682497920 486485374 /nfs/dbraw/zinc/48/53/74/486485374.db2.gz KHNOMRUWSDBEQD-QAPCUYQASA-N 2 2 336.501 2.064 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCC2CS(=O)(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000682497920 486485378 /nfs/dbraw/zinc/48/53/78/486485378.db2.gz KHNOMRUWSDBEQD-QAPCUYQASA-N 2 2 336.501 2.064 10 0 EEAELP CCO[C@H](C)c1noc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000120610042 535578852 /nfs/dbraw/zinc/57/88/52/535578852.db2.gz GONLUSNEGUIXHV-ZIAGYGMSSA-N 2 2 331.420 2.496 10 0 EEAELP CCO[C@H](C)c1noc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)n1 ZINC000120610042 535578856 /nfs/dbraw/zinc/57/88/56/535578856.db2.gz GONLUSNEGUIXHV-ZIAGYGMSSA-N 2 2 331.420 2.496 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000772979215 577308658 /nfs/dbraw/zinc/30/86/58/577308658.db2.gz HQQSRMWSSAZKCJ-OAHLLOKOSA-N 2 2 344.484 2.138 10 0 EEAELP C[N@@H+]1CC[C@H](C(=O)NCCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000895827963 684733355 /nfs/dbraw/zinc/73/33/55/684733355.db2.gz QIUZTTBNJQEIEO-ROUUACIJSA-N 2 2 326.444 2.473 10 0 EEAELP C[N@H+]1CC[C@H](C(=O)NCCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000895827963 684733357 /nfs/dbraw/zinc/73/33/57/684733357.db2.gz QIUZTTBNJQEIEO-ROUUACIJSA-N 2 2 326.444 2.473 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485615970 1191863159 /nfs/dbraw/zinc/86/31/59/1191863159.db2.gz KJQBXKUQBDRFID-BTPDRXCOSA-N 2 2 342.418 2.147 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001485615970 1191863160 /nfs/dbraw/zinc/86/31/60/1191863160.db2.gz KJQBXKUQBDRFID-BTPDRXCOSA-N 2 2 342.418 2.147 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\Cl)C[C@H]2C1 ZINC001485656929 1191891737 /nfs/dbraw/zinc/89/17/37/1191891737.db2.gz LEUFPXYDVSAJJQ-UCLWGRNRSA-N 2 2 336.867 2.242 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@H+](C/C=C\Cl)C[C@H]2C1 ZINC001485656929 1191891738 /nfs/dbraw/zinc/89/17/38/1191891738.db2.gz LEUFPXYDVSAJJQ-UCLWGRNRSA-N 2 2 336.867 2.242 10 0 EEAELP CN(CCC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001670365241 1176463501 /nfs/dbraw/zinc/46/35/01/1176463501.db2.gz MCZTZEXBWMBJHW-SFHVURJKSA-N 2 2 340.471 2.441 10 0 EEAELP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001266748437 1177342364 /nfs/dbraw/zinc/34/23/64/1177342364.db2.gz FFJZWHCMVKGKQL-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)CCc2[nH+]ccn2C)n1 ZINC001266784909 1177423298 /nfs/dbraw/zinc/42/32/98/1177423298.db2.gz AANZEHOSNFLUFI-UHFFFAOYSA-N 2 2 343.475 2.119 10 0 EEAELP CN(CC[NH2+]Cc1cccc(F)c1Cl)C(=O)Cc1c[nH+]cn1C ZINC001266988121 1178044780 /nfs/dbraw/zinc/04/47/80/1178044780.db2.gz DOPIGWYCUMRDSV-UHFFFAOYSA-N 2 2 338.814 2.003 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2)sc1C(C)(C)C ZINC001267143982 1178320428 /nfs/dbraw/zinc/32/04/28/1178320428.db2.gz WIKOELIHPRZMDT-UHFFFAOYSA-N 2 2 349.504 2.194 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)co1 ZINC001267473657 1179105910 /nfs/dbraw/zinc/10/59/10/1179105910.db2.gz HXJIAJRXZHCGBJ-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1nc2ccccc2o1 ZINC001480951813 1179125018 /nfs/dbraw/zinc/12/50/18/1179125018.db2.gz NSUFXMZFOINUEJ-INIZCTEOSA-N 2 2 344.459 2.250 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)Cc1nc2ccccc2o1 ZINC001480951813 1179125020 /nfs/dbraw/zinc/12/50/20/1179125020.db2.gz NSUFXMZFOINUEJ-INIZCTEOSA-N 2 2 344.459 2.250 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC001480951813 1179125022 /nfs/dbraw/zinc/12/50/22/1179125022.db2.gz NSUFXMZFOINUEJ-INIZCTEOSA-N 2 2 344.459 2.250 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001480951813 1179125023 /nfs/dbraw/zinc/12/50/23/1179125023.db2.gz NSUFXMZFOINUEJ-INIZCTEOSA-N 2 2 344.459 2.250 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CC1=CCCCC1 ZINC001480983776 1179424722 /nfs/dbraw/zinc/42/47/22/1179424722.db2.gz MQFUJZJWPBCGKG-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CC1=CCCCC1 ZINC001480983776 1179424727 /nfs/dbraw/zinc/42/47/27/1179424727.db2.gz MQFUJZJWPBCGKG-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP CC(C)CCC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001481175744 1179998759 /nfs/dbraw/zinc/99/87/59/1179998759.db2.gz UJOKVMGVEYGQPA-MRXNPFEDSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001481175744 1179998766 /nfs/dbraw/zinc/99/87/66/1179998766.db2.gz UJOKVMGVEYGQPA-MRXNPFEDSA-N 2 2 332.492 2.462 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)CCc2[nH+]ccn2C)c1 ZINC001481261036 1180500914 /nfs/dbraw/zinc/50/09/14/1180500914.db2.gz CXZLKCRHUMRCDJ-OAHLLOKOSA-N 2 2 344.459 2.171 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)[C@H](C)C[NH2+]CCc2ccnn2C)c(C)[nH+]1 ZINC001268076611 1181677672 /nfs/dbraw/zinc/67/76/72/1181677672.db2.gz ZXYFLQHGDQIUEY-OAHLLOKOSA-N 2 2 343.475 2.033 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001268255724 1182087828 /nfs/dbraw/zinc/08/78/28/1182087828.db2.gz LGRXUEWMIQVTAR-GFCCVEGCSA-N 2 2 347.290 2.235 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001268255724 1182087832 /nfs/dbraw/zinc/08/78/32/1182087832.db2.gz LGRXUEWMIQVTAR-GFCCVEGCSA-N 2 2 347.290 2.235 10 0 EEAELP C[C@@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268387229 1182427749 /nfs/dbraw/zinc/42/77/49/1182427749.db2.gz SADUFTOSALXMFD-LSDHHAIUSA-N 2 2 330.432 2.001 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1cccc(C)c1 ZINC001481826404 1182755656 /nfs/dbraw/zinc/75/56/56/1182755656.db2.gz PXVNZKYNQYMMFG-ROUUACIJSA-N 2 2 340.471 2.439 10 0 EEAELP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001481983892 1183085026 /nfs/dbraw/zinc/08/50/26/1183085026.db2.gz LGHJMTHGCQCMAB-GVDBMIGSSA-N 2 2 332.492 2.398 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[NH2+]CCc2csc(C)n2)c[nH+]1 ZINC001268691713 1183615500 /nfs/dbraw/zinc/61/55/00/1183615500.db2.gz JVESYHRVPSNZPR-LBPRGKRZSA-N 2 2 349.504 2.029 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269785708 1184622467 /nfs/dbraw/zinc/62/24/67/1184622467.db2.gz PFTCGAKPTOYBHO-INIZCTEOSA-N 2 2 341.459 2.074 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001482347081 1185470148 /nfs/dbraw/zinc/47/01/48/1185470148.db2.gz IRFSQGJTORRQJI-MRXNPFEDSA-N 2 2 328.460 2.330 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482358431 1185506287 /nfs/dbraw/zinc/50/62/87/1185506287.db2.gz NBYRHICYUGDDMM-CYBMUJFWSA-N 2 2 339.443 2.379 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)cc1F)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482372475 1185540089 /nfs/dbraw/zinc/54/00/89/1185540089.db2.gz DFJLXGAQZUPNJQ-GFCCVEGCSA-N 2 2 338.814 2.312 10 0 EEAELP CC(C)C[C@@H](C[NH2+]C[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482387234 1185585811 /nfs/dbraw/zinc/58/58/11/1185585811.db2.gz LWKLKXXJNCDMLG-ZBFHGGJFSA-N 2 2 344.459 2.334 10 0 EEAELP CCOCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001482470262 1185987913 /nfs/dbraw/zinc/98/79/13/1185987913.db2.gz FNEPIGDPUBAZRG-JKSUJKDBSA-N 2 2 344.459 2.201 10 0 EEAELP 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1188691637 /nfs/dbraw/zinc/69/16/37/1188691637.db2.gz FSIPKSQRPFRQOD-DJIMGWMZSA-N 2 2 348.491 2.347 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCc1[nH+]ccn1C ZINC001272926899 1193609495 /nfs/dbraw/zinc/60/94/95/1193609495.db2.gz NNEMNOALXVFHEN-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001409345849 1189552438 /nfs/dbraw/zinc/55/24/38/1189552438.db2.gz FHWXGHZUPPKSJA-UONOGXRCSA-N 2 2 345.418 2.455 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1 ZINC001485890095 1193631119 /nfs/dbraw/zinc/63/11/19/1193631119.db2.gz BCMPFQIVICYHRJ-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001485929458 1193649002 /nfs/dbraw/zinc/64/90/02/1193649002.db2.gz XPKRGMYOVHAPME-STQMWFEESA-N 2 2 335.477 2.236 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001409576444 1190060151 /nfs/dbraw/zinc/06/01/51/1190060151.db2.gz IUNVCXZQBSEMEL-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001409576444 1190060154 /nfs/dbraw/zinc/06/01/54/1190060154.db2.gz IUNVCXZQBSEMEL-ZBFHGGJFSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001483347128 1190382819 /nfs/dbraw/zinc/38/28/19/1190382819.db2.gz HUIHMWUBXGFLTR-WMLDXEAASA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001483347128 1190382823 /nfs/dbraw/zinc/38/28/23/1190382823.db2.gz HUIHMWUBXGFLTR-WMLDXEAASA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483347128 1190382829 /nfs/dbraw/zinc/38/28/29/1190382829.db2.gz HUIHMWUBXGFLTR-WMLDXEAASA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001483347128 1190382832 /nfs/dbraw/zinc/38/28/32/1190382832.db2.gz HUIHMWUBXGFLTR-WMLDXEAASA-N 2 2 348.491 2.327 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001483743238 1190895247 /nfs/dbraw/zinc/89/52/47/1190895247.db2.gz QZXDZLHRZDTPBM-OAHLLOKOSA-N 2 2 348.491 2.411 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001483743238 1190895248 /nfs/dbraw/zinc/89/52/48/1190895248.db2.gz QZXDZLHRZDTPBM-OAHLLOKOSA-N 2 2 348.491 2.411 10 0 EEAELP CCCc1ccc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC001483797492 1191040083 /nfs/dbraw/zinc/04/00/83/1191040083.db2.gz RTZMPTDDZZIOOP-UHFFFAOYSA-N 2 2 326.444 2.274 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483807547 1191053133 /nfs/dbraw/zinc/05/31/33/1191053133.db2.gz JZWGXZJJVKKNNJ-PEHGNSNYSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001483807547 1191053135 /nfs/dbraw/zinc/05/31/35/1191053135.db2.gz JZWGXZJJVKKNNJ-PEHGNSNYSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001483807547 1191053140 /nfs/dbraw/zinc/05/31/40/1191053140.db2.gz JZWGXZJJVKKNNJ-PEHGNSNYSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001483807547 1191053146 /nfs/dbraw/zinc/05/31/46/1191053146.db2.gz JZWGXZJJVKKNNJ-PEHGNSNYSA-N 2 2 349.519 2.129 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001483810849 1191055847 /nfs/dbraw/zinc/05/58/47/1191055847.db2.gz PNNUZGAVAGXKDE-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1c[nH+]c[nH]1 ZINC001483810849 1191055849 /nfs/dbraw/zinc/05/58/49/1191055849.db2.gz PNNUZGAVAGXKDE-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](F)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001483811909 1191056862 /nfs/dbraw/zinc/05/68/62/1191056862.db2.gz ABPUKQKOXNVBLT-BBWFWOEESA-N 2 2 336.455 2.477 10 0 EEAELP C[C@H](F)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001483811909 1191056865 /nfs/dbraw/zinc/05/68/65/1191056865.db2.gz ABPUKQKOXNVBLT-BBWFWOEESA-N 2 2 336.455 2.477 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001484410045 1191338158 /nfs/dbraw/zinc/33/81/58/1191338158.db2.gz OIGMDWQPHBMJJV-OYIOLJDGSA-N 2 2 330.476 2.410 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]2C1 ZINC001484410045 1191338159 /nfs/dbraw/zinc/33/81/59/1191338159.db2.gz OIGMDWQPHBMJJV-OYIOLJDGSA-N 2 2 330.476 2.410 10 0 EEAELP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CC[C@@H]2CCCO2)C1)c1c[nH+]c[nH]1 ZINC001484546144 1191407989 /nfs/dbraw/zinc/40/79/89/1191407989.db2.gz DCBLDIIHZIEGSR-HOTGVXAUSA-N 2 2 348.491 2.085 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)cc1F ZINC001484553953 1191412105 /nfs/dbraw/zinc/41/21/05/1191412105.db2.gz OSYPFZLREDHHCC-MRXNPFEDSA-N 2 2 344.434 2.359 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCCCC(F)(F)F)CCC1 ZINC001484664869 1191463759 /nfs/dbraw/zinc/46/37/59/1191463759.db2.gz SLKHOQAHYQIWPP-UHFFFAOYSA-N 2 2 332.370 2.244 10 0 EEAELP Cc1conc1C[N@@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001484729484 1191488564 /nfs/dbraw/zinc/48/85/64/1191488564.db2.gz OJJLDURGFFZJKY-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1conc1C[N@H+]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)CC1 ZINC001484729484 1191488565 /nfs/dbraw/zinc/48/85/65/1191488565.db2.gz OJJLDURGFFZJKY-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001484812538 1191533371 /nfs/dbraw/zinc/53/33/71/1191533371.db2.gz BEIIFROCHKZPHL-MRXNPFEDSA-N 2 2 330.476 2.216 10 0 EEAELP CCC1([NH2+]C[C@H](C)OC)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001484816561 1191538008 /nfs/dbraw/zinc/53/80/08/1191538008.db2.gz MPFCJKPSYWTGGL-CVEARBPZSA-N 2 2 336.480 2.230 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CC/C=C/c1ccccc1 ZINC001484902677 1191565721 /nfs/dbraw/zinc/56/57/21/1191565721.db2.gz DNDDOHHGAOZFIV-HCDDMHPKSA-N 2 2 338.455 2.492 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001485094756 1191653933 /nfs/dbraw/zinc/65/39/33/1191653933.db2.gz MVUVCGVIXUUDMB-UHFFFAOYSA-N 2 2 330.476 2.407 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001485094756 1191653934 /nfs/dbraw/zinc/65/39/34/1191653934.db2.gz MVUVCGVIXUUDMB-UHFFFAOYSA-N 2 2 330.476 2.407 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CCc1ccns1)NC(=O)CCn1cc[nH+]c1 ZINC001486407514 1193915768 /nfs/dbraw/zinc/91/57/68/1193915768.db2.gz QBOOYNLFLHJPEE-OAHLLOKOSA-N 2 2 349.504 2.093 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001410373537 1197767042 /nfs/dbraw/zinc/76/70/42/1197767042.db2.gz FJSAVEPDTLNSAP-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001410441752 1197903211 /nfs/dbraw/zinc/90/32/11/1197903211.db2.gz DOJUOCDHFPSVRK-UONOGXRCSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001410441752 1197903215 /nfs/dbraw/zinc/90/32/15/1197903215.db2.gz DOJUOCDHFPSVRK-UONOGXRCSA-N 2 2 332.423 2.364 10 0 EEAELP CN(C(=O)C1=COCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124685910 1198720226 /nfs/dbraw/zinc/72/02/26/1198720226.db2.gz RJOAREIWOSLTBW-MOPGFXCFSA-N 2 2 349.519 2.476 10 0 EEAELP CN(C(=O)C1=COCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124685910 1198720228 /nfs/dbraw/zinc/72/02/28/1198720228.db2.gz RJOAREIWOSLTBW-MOPGFXCFSA-N 2 2 349.519 2.476 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)c1 ZINC000870881656 1200929312 /nfs/dbraw/zinc/92/93/12/1200929312.db2.gz FJALQTNFRUYFHI-FORWCCJISA-N 2 2 343.471 2.028 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc(F)cc1F ZINC000880669001 1201556024 /nfs/dbraw/zinc/55/60/24/1201556024.db2.gz BLRYQRCZSNXUPD-UHFFFAOYSA-N 2 2 341.446 2.242 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(C)(C)c1ccc(F)cc1F ZINC000880669001 1201556025 /nfs/dbraw/zinc/55/60/25/1201556025.db2.gz BLRYQRCZSNXUPD-UHFFFAOYSA-N 2 2 341.446 2.242 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868305061 1201787709 /nfs/dbraw/zinc/78/77/09/1201787709.db2.gz MCJXXVMMDGYQMM-GOSISDBHSA-N 2 2 341.459 2.458 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868305061 1201787712 /nfs/dbraw/zinc/78/77/12/1201787712.db2.gz MCJXXVMMDGYQMM-GOSISDBHSA-N 2 2 341.459 2.458 10 0 EEAELP CCOCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001275766522 1205518090 /nfs/dbraw/zinc/51/80/90/1205518090.db2.gz DJWBCZUFJOAFIP-GOEBONIOSA-N 2 2 344.459 2.478 10 0 EEAELP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001412171402 1205661766 /nfs/dbraw/zinc/66/17/66/1205661766.db2.gz WVSNBWOFDWGGFP-NXOAAHMSSA-N 2 2 328.460 2.215 10 0 EEAELP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)C1 ZINC001412171402 1205661767 /nfs/dbraw/zinc/66/17/67/1205661767.db2.gz WVSNBWOFDWGGFP-NXOAAHMSSA-N 2 2 328.460 2.215 10 0 EEAELP CN(CCC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001276084174 1205768018 /nfs/dbraw/zinc/76/80/18/1205768018.db2.gz KZBOVLRUPMIIRA-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001276297571 1205873099 /nfs/dbraw/zinc/87/30/99/1205873099.db2.gz LUVHCNKWHVGBHO-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP CCNC(=O)COc1cccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000924718188 1206023403 /nfs/dbraw/zinc/02/34/03/1206023403.db2.gz MNYGVYSSIFQSER-RBUKOAKNSA-N 2 2 345.487 2.308 10 0 EEAELP CCNC(=O)COc1cccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000924718188 1206023405 /nfs/dbraw/zinc/02/34/05/1206023405.db2.gz MNYGVYSSIFQSER-RBUKOAKNSA-N 2 2 345.487 2.308 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccnnc1 ZINC000925117176 1206071825 /nfs/dbraw/zinc/07/18/25/1206071825.db2.gz NTTZBEXOGLLFLP-SNRMKQJTSA-N 2 2 326.444 2.010 10 0 EEAELP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccnnc1 ZINC000925117176 1206071827 /nfs/dbraw/zinc/07/18/27/1206071827.db2.gz NTTZBEXOGLLFLP-SNRMKQJTSA-N 2 2 326.444 2.010 10 0 EEAELP O=S(=O)(CCC[NH2+][C@H]1CC[NH2+]C12CCCC2)Cc1ccccc1 ZINC000925486582 1206118558 /nfs/dbraw/zinc/11/85/58/1206118558.db2.gz RQTAIDNDZNGVJK-KRWDZBQOSA-N 2 2 336.501 2.256 10 0 EEAELP Fc1cccc([C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)N2CCOCC2)c1 ZINC000925485342 1206118685 /nfs/dbraw/zinc/11/86/85/1206118685.db2.gz AUPLCTGTOPSCOF-ZWKOTPCHSA-N 2 2 333.451 2.073 10 0 EEAELP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620657 1206136443 /nfs/dbraw/zinc/13/64/43/1206136443.db2.gz WSDDKPJBBOZLRB-MTHXSQLBSA-N 3 2 335.536 2.121 10 0 EEAELP O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C23CCCC3)C1 ZINC000925734754 1206147781 /nfs/dbraw/zinc/14/77/81/1206147781.db2.gz RHSYAAKNWZUYQA-XIRDDKMYSA-N 2 2 334.485 2.256 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N2C[C@@H]([NH3+])C(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000926018458 1206182455 /nfs/dbraw/zinc/18/24/55/1206182455.db2.gz LROYUKZROOYVNP-WMLDXEAASA-N 2 2 346.475 2.281 10 0 EEAELP COc1ccc(OCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931291572 1206622591 /nfs/dbraw/zinc/62/25/91/1206622591.db2.gz XCVNQKKSVWPOEY-UHFFFAOYSA-N 2 2 334.460 2.261 10 0 EEAELP COc1ccc(OCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931291572 1206622592 /nfs/dbraw/zinc/62/25/92/1206622592.db2.gz XCVNQKKSVWPOEY-UHFFFAOYSA-N 2 2 334.460 2.261 10 0 EEAELP Cc1cnc([C@@H](C)ONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000779646975 1210706805 /nfs/dbraw/zinc/70/68/05/1210706805.db2.gz XIEQURRYBHEEGH-ZBFHGGJFSA-N 2 2 344.415 2.443 10 0 EEAELP Cc1cnc([C@@H](C)ONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000779646975 1210706809 /nfs/dbraw/zinc/70/68/09/1210706809.db2.gz XIEQURRYBHEEGH-ZBFHGGJFSA-N 2 2 344.415 2.443 10 0 EEAELP C[C@H](CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC001412951448 1216149896 /nfs/dbraw/zinc/14/98/96/1216149896.db2.gz GKVACLPIMMJDOO-QUCCMNQESA-N 2 2 331.504 2.161 10 0 EEAELP C[C@H](CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC001412951448 1216149899 /nfs/dbraw/zinc/14/98/99/1216149899.db2.gz GKVACLPIMMJDOO-QUCCMNQESA-N 2 2 331.504 2.161 10 0 EEAELP C([C@H]1COC2(CCCCC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001412984514 1216362800 /nfs/dbraw/zinc/36/28/00/1216362800.db2.gz SVPMKDUWDCGDTA-ROUUACIJSA-N 2 2 338.492 2.249 10 0 EEAELP C([C@H]1COC2(CCCCC2)O1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001412984514 1216362806 /nfs/dbraw/zinc/36/28/06/1216362806.db2.gz SVPMKDUWDCGDTA-ROUUACIJSA-N 2 2 338.492 2.249 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)c2)[nH+]c1C ZINC000900347506 1234248049 /nfs/dbraw/zinc/24/80/49/1234248049.db2.gz VZSRUAPPENQDJB-CRAIPNDOSA-N 2 2 328.416 2.087 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)c2)[nH+]c1C ZINC000900347506 1234248051 /nfs/dbraw/zinc/24/80/51/1234248051.db2.gz VZSRUAPPENQDJB-CRAIPNDOSA-N 2 2 328.416 2.087 10 0 EEAELP 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ZINC001662845811 1354863554 /nfs/dbraw/zinc/86/35/54/1354863554.db2.gz RPDGPADRPDWDMC-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP CCOCC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001662845811 1354863561 /nfs/dbraw/zinc/86/35/61/1354863561.db2.gz RPDGPADRPDWDMC-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001665677567 1355356890 /nfs/dbraw/zinc/35/68/90/1355356890.db2.gz WUXOFPUPMQJQDE-HNNXBMFYSA-N 2 2 338.883 2.110 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001665677567 1355356897 /nfs/dbraw/zinc/35/68/97/1355356897.db2.gz WUXOFPUPMQJQDE-HNNXBMFYSA-N 2 2 338.883 2.110 10 0 EEAELP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001665677567 1355356901 /nfs/dbraw/zinc/35/69/01/1355356901.db2.gz WUXOFPUPMQJQDE-HNNXBMFYSA-N 2 2 338.883 2.110 10 0 EEAELP CC[NH+](C)CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001665677567 1355356906 /nfs/dbraw/zinc/35/69/06/1355356906.db2.gz WUXOFPUPMQJQDE-HNNXBMFYSA-N 2 2 338.883 2.110 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001667290577 1355699735 /nfs/dbraw/zinc/69/97/35/1355699735.db2.gz LZFQSQGRWYYEGL-SJORKVTESA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H](CC[NH2+]CC(F)(F)C(F)F)NC(=O)C[NH+]1CCC(C)CC1 ZINC001668253484 1355908930 /nfs/dbraw/zinc/90/89/30/1355908930.db2.gz BQEHOBMXLRZQOY-GFCCVEGCSA-N 2 2 341.393 2.103 10 0 EEAELP CCN(CC[NH2+]Cc1cncs1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001668431231 1355939356 /nfs/dbraw/zinc/93/93/56/1355939356.db2.gz XASMCFNPXVXHJN-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001668472564 1355947921 /nfs/dbraw/zinc/94/79/21/1355947921.db2.gz GBZWQZCBRLXAQX-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP Cc1cnc(C[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001670260940 1356307105 /nfs/dbraw/zinc/30/71/05/1356307105.db2.gz AMQFLWRVJVXDLO-CYBMUJFWSA-N 2 2 335.477 2.237 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001672904760 1356611263 /nfs/dbraw/zinc/61/12/63/1356611263.db2.gz DRGVVNKKRNYTQI-OAHLLOKOSA-N 2 2 346.500 2.443 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001674155973 1356801650 /nfs/dbraw/zinc/80/16/50/1356801650.db2.gz RVVNBEJUVCMKRU-GDBMZVCRSA-N 2 2 336.480 2.046 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)C[C@H]1C ZINC001674155973 1356801653 /nfs/dbraw/zinc/80/16/53/1356801653.db2.gz RVVNBEJUVCMKRU-GDBMZVCRSA-N 2 2 336.480 2.046 10 0 EEAELP O=C(NC[C@H]1C[C@H]([NH2+]CCCCCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001691794961 1404949311 /nfs/dbraw/zinc/94/93/11/1404949311.db2.gz TYJZGTNYNJOEGX-BZUAXINKSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@@H](C[NH2+]CC/C=C/c1ccccc1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001698848128 1405105699 /nfs/dbraw/zinc/10/56/99/1405105699.db2.gz MJCLYYVHBJHGTA-DHINHOHASA-N 2 2 326.444 2.492 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1cccc(Cl)c1 ZINC001699288981 1405319997 /nfs/dbraw/zinc/31/99/97/1405319997.db2.gz MBABQQKAFODXRZ-OWOJBTEDSA-N 2 2 332.835 2.389 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001699755387 1405467623 /nfs/dbraw/zinc/46/76/23/1405467623.db2.gz NJMXHJPQNRZQQX-HNNXBMFYSA-N 2 2 346.500 2.238 10 0 EEAELP COCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699941880 1405590881 /nfs/dbraw/zinc/59/08/81/1405590881.db2.gz RUROWIUGOLASQA-GJZGRUSLSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@@H](C[NH+]1CCOCC1)N(C)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000907836366 784900187 /nfs/dbraw/zinc/90/01/87/784900187.db2.gz NNPKCKOLWHOGCS-HNNXBMFYSA-N 2 2 344.459 2.084 10 0 EEAELP O=C(NCc1c(Cl)cccc1-n1cc[nH+]c1)C12CC[NH+](CC1)C2 ZINC000908414149 785394057 /nfs/dbraw/zinc/39/40/57/785394057.db2.gz NEIKIRRCNXVIJW-UHFFFAOYSA-N 2 2 330.819 2.238 10 0 EEAELP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC2(CC[NH+]2Cc2ccccc2)C1 ZINC000910776799 787036649 /nfs/dbraw/zinc/03/66/49/787036649.db2.gz FGUWMBQXOCSMGG-OALUTQOASA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@@H]1CC[C@@H]2CCCC[N@H+]21)N1CC2(CC[NH+]2Cc2ccccc2)C1 ZINC000910776799 787036659 /nfs/dbraw/zinc/03/66/59/787036659.db2.gz FGUWMBQXOCSMGG-OALUTQOASA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@@H]1CC[C@@H]2CCCC[NH+]21)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776799 787036669 /nfs/dbraw/zinc/03/66/69/787036669.db2.gz FGUWMBQXOCSMGG-OALUTQOASA-N 2 2 339.483 2.490 10 0 EEAELP O=C([C@@H]1CC[C@@H]2CCCC[NH+]21)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776799 787036678 /nfs/dbraw/zinc/03/66/78/787036678.db2.gz FGUWMBQXOCSMGG-OALUTQOASA-N 2 2 339.483 2.490 10 0 EEAELP C[C@]1(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C[C@@]1(F)Cl ZINC000846040620 790034229 /nfs/dbraw/zinc/03/42/29/790034229.db2.gz VVSAOCYFXCPNPZ-IRXDYDNUSA-N 2 2 347.906 2.077 10 0 EEAELP C[C@]1(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C[C@@]1(F)Cl ZINC000846040620 790034232 /nfs/dbraw/zinc/03/42/32/790034232.db2.gz VVSAOCYFXCPNPZ-IRXDYDNUSA-N 2 2 347.906 2.077 10 0 EEAELP C[C@@](O)(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)C(F)(F)F ZINC000929695948 793614252 /nfs/dbraw/zinc/61/42/52/793614252.db2.gz IVKXOCHFWNSSMM-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP C[C@@](O)(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(F)(F)C(F)(F)F ZINC000929695948 793614255 /nfs/dbraw/zinc/61/42/55/793614255.db2.gz IVKXOCHFWNSSMM-VXGBXAGGSA-N 2 2 330.341 2.353 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000716619144 796394359 /nfs/dbraw/zinc/39/43/59/796394359.db2.gz BTFPNUXZGKWZPR-OWLYRPNTSA-N 2 2 336.501 2.062 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000716619144 796394365 /nfs/dbraw/zinc/39/43/65/796394365.db2.gz BTFPNUXZGKWZPR-OWLYRPNTSA-N 2 2 336.501 2.062 10 0 EEAELP CCS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000922685121 801663023 /nfs/dbraw/zinc/66/30/23/801663023.db2.gz ZFOWGMHLVBWZDH-INIZCTEOSA-N 2 2 338.517 2.485 10 0 EEAELP CCS(=O)(=O)c1ccccc1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000922685121 801663030 /nfs/dbraw/zinc/66/30/30/801663030.db2.gz ZFOWGMHLVBWZDH-INIZCTEOSA-N 2 2 338.517 2.485 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001566109361 1125563776 /nfs/dbraw/zinc/56/37/76/1125563776.db2.gz KUEGWMRPONZIEE-PBHICJAKSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1coc(C2CC2)n1 ZINC001566109361 1125563782 /nfs/dbraw/zinc/56/37/82/1125563782.db2.gz KUEGWMRPONZIEE-PBHICJAKSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)n1 ZINC001566462918 1125623812 /nfs/dbraw/zinc/62/38/12/1125623812.db2.gz FHQHAOXUBCZDDI-IAGOWNOFSA-N 2 2 341.459 2.163 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)n1 ZINC001566462918 1125623817 /nfs/dbraw/zinc/62/38/17/1125623817.db2.gz FHQHAOXUBCZDDI-IAGOWNOFSA-N 2 2 341.459 2.163 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC1CC2(CCC2)C1 ZINC001566468194 1125629147 /nfs/dbraw/zinc/62/91/47/1125629147.db2.gz STVFVZKDPYXAPJ-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCn2c[nH+]cc2C1)CC1CC2(CCC2)C1 ZINC001566468194 1125629153 /nfs/dbraw/zinc/62/91/53/1125629153.db2.gz STVFVZKDPYXAPJ-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001436425683 1087786439 /nfs/dbraw/zinc/78/64/39/1087786439.db2.gz FPIJWRYNMAQNIG-SAABIXHNSA-N 2 2 339.439 2.317 10 0 EEAELP CCO[C@@H](C[NH2+]C1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1)C1CC1 ZINC001437086198 1089030005 /nfs/dbraw/zinc/03/00/05/1089030005.db2.gz AINZUCPWHQCYDJ-HTWSVDAQSA-N 2 2 348.491 2.093 10 0 EEAELP CC[N@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1ncccc1C ZINC001437598926 1090105729 /nfs/dbraw/zinc/10/57/29/1090105729.db2.gz QJZSPIYVMBUILT-UHFFFAOYSA-N 2 2 343.475 2.268 10 0 EEAELP CC[N@@H+](CCNC(=O)C(C)(C)n1c[nH+]c(C)c1)Cc1ncccc1C ZINC001437598926 1090105733 /nfs/dbraw/zinc/10/57/33/1090105733.db2.gz QJZSPIYVMBUILT-UHFFFAOYSA-N 2 2 343.475 2.268 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001437642483 1090161330 /nfs/dbraw/zinc/16/13/30/1090161330.db2.gz LZVINIGTKRXWEN-ZACQAIPSSA-N 2 2 332.492 2.227 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001437642483 1090161332 /nfs/dbraw/zinc/16/13/32/1090161332.db2.gz LZVINIGTKRXWEN-ZACQAIPSSA-N 2 2 332.492 2.227 10 0 EEAELP CCO[C@@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001438677324 1091170828 /nfs/dbraw/zinc/17/08/28/1091170828.db2.gz XFJQMGRAIVDOQT-PBHICJAKSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001445573816 1091354465 /nfs/dbraw/zinc/35/44/65/1091354465.db2.gz YSUIHKAFSSUZNA-ZFWWWQNUSA-N 2 2 346.862 2.393 10 0 EEAELP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)on1 ZINC001445755631 1091595515 /nfs/dbraw/zinc/59/55/15/1091595515.db2.gz DLHIIGJFHNKTTC-RDJZCZTQSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)on1 ZINC001445755631 1091595521 /nfs/dbraw/zinc/59/55/21/1091595521.db2.gz DLHIIGJFHNKTTC-RDJZCZTQSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2CC(C)C)on1 ZINC001445755631 1091595526 /nfs/dbraw/zinc/59/55/26/1091595526.db2.gz DLHIIGJFHNKTTC-RDJZCZTQSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2CC(C)C)on1 ZINC001445755631 1091595535 /nfs/dbraw/zinc/59/55/35/1091595535.db2.gz DLHIIGJFHNKTTC-RDJZCZTQSA-N 2 2 336.480 2.040 10 0 EEAELP CCc1onc(C)c1C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445812487 1091686613 /nfs/dbraw/zinc/68/66/13/1091686613.db2.gz ILNIALHRYQPMGF-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1onc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445812487 1091686617 /nfs/dbraw/zinc/68/66/17/1091686617.db2.gz ILNIALHRYQPMGF-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC001439131384 1091777520 /nfs/dbraw/zinc/77/75/20/1091777520.db2.gz VAMKQLJDHAFVQW-GDBMZVCRSA-N 2 2 344.434 2.188 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001439287846 1091947770 /nfs/dbraw/zinc/94/77/70/1091947770.db2.gz DEUFHOMIXZULDK-KBPBESRZSA-N 2 2 328.407 2.193 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001439339780 1092039983 /nfs/dbraw/zinc/03/99/83/1092039983.db2.gz POZWZABGSBNAEA-CZUORRHYSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC001439339780 1092039989 /nfs/dbraw/zinc/03/99/89/1092039989.db2.gz POZWZABGSBNAEA-CZUORRHYSA-N 2 2 346.500 2.452 10 0 EEAELP CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)Cc1c[nH+]cn1C ZINC001440221038 1093298686 /nfs/dbraw/zinc/29/86/86/1093298686.db2.gz XMOYOQPYRTUYAD-UHFFFAOYSA-N 2 2 328.460 2.367 10 0 EEAELP CC(C)C[N@@H+](C)Cc1ccccc1CNC(=O)Cc1c[nH+]cn1C ZINC001440221038 1093298690 /nfs/dbraw/zinc/29/86/90/1093298690.db2.gz XMOYOQPYRTUYAD-UHFFFAOYSA-N 2 2 328.460 2.367 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2cccc(F)c2)C1 ZINC001440235424 1093320016 /nfs/dbraw/zinc/32/00/16/1093320016.db2.gz AXSVKFDQMISICE-QAPCUYQASA-N 2 2 333.451 2.200 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2cccc(F)c2)C1 ZINC001440235424 1093320024 /nfs/dbraw/zinc/32/00/24/1093320024.db2.gz AXSVKFDQMISICE-QAPCUYQASA-N 2 2 333.451 2.200 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001440235424 1093320032 /nfs/dbraw/zinc/32/00/32/1093320032.db2.gz AXSVKFDQMISICE-QAPCUYQASA-N 2 2 333.451 2.200 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001440235424 1093320039 /nfs/dbraw/zinc/32/00/39/1093320039.db2.gz AXSVKFDQMISICE-QAPCUYQASA-N 2 2 333.451 2.200 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1Cc1ccc2c(c1)CCC2)C(=O)Cn1cc[nH+]c1 ZINC001440278979 1093397433 /nfs/dbraw/zinc/39/74/33/1093397433.db2.gz UJRUTSMBGJBJSG-LJQANCHMSA-N 2 2 338.455 2.105 10 0 EEAELP CN(C[C@H]1CC[N@H+]1Cc1ccc2c(c1)CCC2)C(=O)Cn1cc[nH+]c1 ZINC001440278979 1093397442 /nfs/dbraw/zinc/39/74/42/1093397442.db2.gz UJRUTSMBGJBJSG-LJQANCHMSA-N 2 2 338.455 2.105 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001448400121 1093404043 /nfs/dbraw/zinc/40/40/43/1093404043.db2.gz CGBZWDQILAEEJN-GJZGRUSLSA-N 2 2 336.480 2.212 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001448400121 1093404049 /nfs/dbraw/zinc/40/40/49/1093404049.db2.gz CGBZWDQILAEEJN-GJZGRUSLSA-N 2 2 336.480 2.212 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001448400121 1093404053 /nfs/dbraw/zinc/40/40/53/1093404053.db2.gz CGBZWDQILAEEJN-GJZGRUSLSA-N 2 2 336.480 2.212 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+]([C@@H](C)c2ncc(C)o2)CC1(C)C ZINC001448400121 1093404057 /nfs/dbraw/zinc/40/40/57/1093404057.db2.gz CGBZWDQILAEEJN-GJZGRUSLSA-N 2 2 336.480 2.212 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)c1ccccc1Cl ZINC001440374198 1093541631 /nfs/dbraw/zinc/54/16/31/1093541631.db2.gz KROYEMZQKKOLRC-BBRMVZONSA-N 2 2 341.858 2.493 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccccc1Cl ZINC001440374198 1093541634 /nfs/dbraw/zinc/54/16/34/1093541634.db2.gz KROYEMZQKKOLRC-BBRMVZONSA-N 2 2 341.858 2.493 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]Cc1cc(C2CC2)no1)NC(=O)Cn1cc[nH+]c1 ZINC001449314137 1094267759 /nfs/dbraw/zinc/26/77/59/1094267759.db2.gz LEHPKYVYWBHIPA-INIZCTEOSA-N 2 2 345.447 2.069 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001441031775 1094324768 /nfs/dbraw/zinc/32/47/68/1094324768.db2.gz ZSJCZVIGEHDXRQ-ZIAGYGMSSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001441031775 1094324771 /nfs/dbraw/zinc/32/47/71/1094324771.db2.gz ZSJCZVIGEHDXRQ-ZIAGYGMSSA-N 2 2 328.407 2.145 10 0 EEAELP Cc1cc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)Cn2c[nH+]cc2C)no1 ZINC001441123255 1094445008 /nfs/dbraw/zinc/44/50/08/1094445008.db2.gz APESTHNGCJINFF-QGZVFWFLSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1cc(C[N@H+]2CCCCC[C@@H]2CNC(=O)Cn2c[nH+]cc2C)no1 ZINC001441123255 1094445011 /nfs/dbraw/zinc/44/50/11/1094445011.db2.gz APESTHNGCJINFF-QGZVFWFLSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1csc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)n1 ZINC001441365689 1094889023 /nfs/dbraw/zinc/88/90/23/1094889023.db2.gz DUANOVRRRCDTOO-KKUMJFAQSA-N 2 2 347.488 2.284 10 0 EEAELP CC[NH+]1CCC(C(=O)N[C@@H](C)Cn2cc[nH+]c2)(c2ccccc2)CC1 ZINC001441369317 1094896620 /nfs/dbraw/zinc/89/66/20/1094896620.db2.gz KHQGRBJHTHLEIT-KRWDZBQOSA-N 2 2 340.471 2.442 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1)n1cc[nH+]c1 ZINC001441527641 1095233813 /nfs/dbraw/zinc/23/38/13/1095233813.db2.gz MPNKMKMDWUDGLU-BHYGNILZSA-N 2 2 344.434 2.453 10 0 EEAELP CC(C)C[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccccn1)n1cc[nH+]c1 ZINC001441849199 1095932560 /nfs/dbraw/zinc/93/25/60/1095932560.db2.gz ZYFHRANASFXAOM-RDJZCZTQSA-N 2 2 329.448 2.160 10 0 EEAELP 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ZINC001443661757 1098160918 /nfs/dbraw/zinc/16/09/18/1098160918.db2.gz ASEOFQKNRPNWIP-AWEZNQCLSA-N 2 2 340.418 2.147 10 0 EEAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cncc(F)c1 ZINC001444010313 1098526649 /nfs/dbraw/zinc/52/66/49/1098526649.db2.gz PHQURQGDDCPUNE-BBRMVZONSA-N 2 2 333.411 2.053 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001444022941 1098540382 /nfs/dbraw/zinc/54/03/82/1098540382.db2.gz RVMOZFDDSRFYIC-QWHCGFSZSA-N 2 2 328.407 2.262 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)co1 ZINC001479523710 1098590625 /nfs/dbraw/zinc/59/06/25/1098590625.db2.gz NOEBORGHICANQN-GUYCJALGSA-N 2 2 345.447 2.056 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1 ZINC001444172844 1098724503 /nfs/dbraw/zinc/72/45/03/1098724503.db2.gz RYDGQMJFGNLMFV-OUGQEEEOSA-N 2 2 337.851 2.402 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CC[C@@H]1CCOC1 ZINC001479848656 1099144191 /nfs/dbraw/zinc/14/41/91/1099144191.db2.gz 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CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001493584459 1108356650 /nfs/dbraw/zinc/35/66/50/1108356650.db2.gz LPOQWEHJJZEPRS-QZTJIDSGSA-N 2 2 338.455 2.250 10 0 EEAELP C[C@H]1C[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCN1c1cc[nH+]cc1 ZINC001460701876 1110321282 /nfs/dbraw/zinc/32/12/82/1110321282.db2.gz BQJZODUONANWSQ-QFBILLFUSA-N 2 2 336.439 2.398 10 0 EEAELP C[C@H]1C[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)CCN1c1cc[nH+]cc1 ZINC001460701876 1110321284 /nfs/dbraw/zinc/32/12/84/1110321284.db2.gz BQJZODUONANWSQ-QFBILLFUSA-N 2 2 336.439 2.398 10 0 EEAELP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001472115086 1110543797 /nfs/dbraw/zinc/54/37/97/1110543797.db2.gz HUPKMWNCQMXBLW-DZGCQCFKSA-N 2 2 340.418 2.003 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001479386513 1110689694 /nfs/dbraw/zinc/68/96/94/1110689694.db2.gz SXUIJYRERRJBPA-CTYIDZIISA-N 2 2 347.850 2.006 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001499128256 1112139094 /nfs/dbraw/zinc/13/90/94/1112139094.db2.gz VBIPIYOFCICVBK-HNNXBMFYSA-N 2 2 336.505 2.018 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H]2CNC(=O)CC[NH+]2CCCCC2)sn1 ZINC001499128256 1112139097 /nfs/dbraw/zinc/13/90/97/1112139097.db2.gz VBIPIYOFCICVBK-HNNXBMFYSA-N 2 2 336.505 2.018 10 0 EEAELP CC[C@@H](C(=O)N(C)C1C[NH+](CCc2ccccc2)C1)[NH+](CC)CC ZINC001499743726 1112465869 /nfs/dbraw/zinc/46/58/69/1112465869.db2.gz DYQGHIHFOTYWET-IBGZPJMESA-N 2 2 331.504 2.492 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001505652004 1114109905 /nfs/dbraw/zinc/10/99/05/1114109905.db2.gz CUQADIJZXUYDIE-UONOGXRCSA-N 2 2 337.427 2.334 10 0 EEAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCOCC1CCC1 ZINC001505947003 1114294831 /nfs/dbraw/zinc/29/48/31/1114294831.db2.gz ZOJIHVDHAOJDFN-CQSZACIVSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCOCC1CCC1 ZINC001505947003 1114294832 /nfs/dbraw/zinc/29/48/32/1114294832.db2.gz ZOJIHVDHAOJDFN-CQSZACIVSA-N 2 2 344.459 2.430 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2csc(C)n2)CC1(C)C ZINC001506749714 1114863623 /nfs/dbraw/zinc/86/36/23/1114863623.db2.gz IBCVHRBMFFTLNP-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](Cc2csc(C)n2)CC1(C)C ZINC001506749714 1114863627 /nfs/dbraw/zinc/86/36/27/1114863627.db2.gz IBCVHRBMFFTLNP-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](Cc2csc(C)n2)CC1(C)C ZINC001506749714 1114863634 /nfs/dbraw/zinc/86/36/34/1114863634.db2.gz IBCVHRBMFFTLNP-HNNXBMFYSA-N 2 2 338.521 2.120 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2F ZINC001507164680 1115143177 /nfs/dbraw/zinc/14/31/77/1115143177.db2.gz RYVVJBYEEBQJGX-DYVFJYSZSA-N 2 2 330.407 2.146 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCF)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001507281931 1115172137 /nfs/dbraw/zinc/17/21/37/1115172137.db2.gz AMHKQXYMBHZJMU-PBHICJAKSA-N 2 2 330.407 2.425 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001507290374 1115176353 /nfs/dbraw/zinc/17/63/53/1115176353.db2.gz XWBQIMVVEUQAIN-DGCLKSJQSA-N 2 2 332.370 2.264 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001507311137 1115186060 /nfs/dbraw/zinc/18/60/60/1115186060.db2.gz VPTXJHYTEDYXCJ-HZPDHXFCSA-N 2 2 330.476 2.307 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]CCCCCF)[C@H]2C1 ZINC001507367713 1115226923 /nfs/dbraw/zinc/22/69/23/1115226923.db2.gz ZCKWNLXSUSHCRN-JYJNAYRXSA-N 2 2 336.455 2.309 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C(C)(C)C ZINC001508026100 1115391567 /nfs/dbraw/zinc/39/15/67/1115391567.db2.gz CRMKPTJMUTYPQT-HNNXBMFYSA-N 2 2 347.463 2.132 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001567914683 1124176504 /nfs/dbraw/zinc/17/65/04/1124176504.db2.gz XAKVFULBNKVXSX-HUUCEWRRSA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001567914683 1124176507 /nfs/dbraw/zinc/17/65/07/1124176507.db2.gz XAKVFULBNKVXSX-HUUCEWRRSA-N 2 2 338.883 2.108 10 0 EEAELP Cc1ccc(NCCCNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[nH+]c1 ZINC001545142696 1124181950 /nfs/dbraw/zinc/18/19/50/1124181950.db2.gz XDFOJCJIFSCYRT-UHFFFAOYSA-N 2 2 336.399 2.203 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)n1 ZINC001567925409 1124183561 /nfs/dbraw/zinc/18/35/61/1124183561.db2.gz MEBNQERORIYIHP-SFHVURJKSA-N 2 2 349.523 2.229 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)n1 ZINC001567925409 1124183567 /nfs/dbraw/zinc/18/35/67/1124183567.db2.gz MEBNQERORIYIHP-SFHVURJKSA-N 2 2 349.523 2.229 10 0 EEAELP C[C@H](O)CCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001568001630 1124224319 /nfs/dbraw/zinc/22/43/19/1124224319.db2.gz HOEOZYMFSRKQGL-HNNXBMFYSA-N 2 2 344.459 2.128 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCCC2CCOCC2)CCCC1 ZINC001568243179 1124381550 /nfs/dbraw/zinc/38/15/50/1124381550.db2.gz UHQJFNPQBPCRPZ-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1csc(Cl)n1 ZINC001568874140 1124900209 /nfs/dbraw/zinc/90/02/09/1124900209.db2.gz ZVSAGFDJTABOGK-ITDFMYJTSA-N 2 2 342.896 2.043 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1csc(Cl)n1 ZINC001568874140 1124900214 /nfs/dbraw/zinc/90/02/14/1124900214.db2.gz ZVSAGFDJTABOGK-ITDFMYJTSA-N 2 2 342.896 2.043 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1cc(F)cc(F)c1 ZINC001569261710 1125203631 /nfs/dbraw/zinc/20/36/31/1125203631.db2.gz ZGRLQKUNOWEYPI-UHFFFAOYSA-N 2 2 336.386 2.177 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081687108 539355210 /nfs/dbraw/zinc/35/52/10/539355210.db2.gz LEBCJOCHFPHJEH-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081687108 539355217 /nfs/dbraw/zinc/35/52/17/539355217.db2.gz LEBCJOCHFPHJEH-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081687108 539355222 /nfs/dbraw/zinc/35/52/22/539355222.db2.gz LEBCJOCHFPHJEH-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081687108 539355227 /nfs/dbraw/zinc/35/52/27/539355227.db2.gz LEBCJOCHFPHJEH-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP CS(=O)(=O)CCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000163330739 539534436 /nfs/dbraw/zinc/53/44/36/539534436.db2.gz QFBDZCGMTPPKSF-QGZVFWFLSA-N 2 2 330.538 2.399 10 0 EEAELP CS(=O)(=O)CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000163330739 539534439 /nfs/dbraw/zinc/53/44/39/539534439.db2.gz QFBDZCGMTPPKSF-QGZVFWFLSA-N 2 2 330.538 2.399 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074650 240353069 /nfs/dbraw/zinc/35/30/69/240353069.db2.gz MLWLYZUXKZBVQK-AEFFLSMTSA-N 3 2 340.471 2.436 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1c[nH+]ccc1N ZINC000423074650 240353072 /nfs/dbraw/zinc/35/30/72/240353072.db2.gz MLWLYZUXKZBVQK-AEFFLSMTSA-N 3 2 340.471 2.436 10 0 EEAELP C[NH+]1CCC([NH2+]CC(=O)Nc2ccccc2Br)CC1 ZINC000037248465 213135737 /nfs/dbraw/zinc/13/57/37/213135737.db2.gz WUJJQFPBRMFVQE-UHFFFAOYSA-N 2 2 326.238 2.071 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccnn2C)CC[N@@H+]1Cc1ccccc1 ZINC000459704404 245215701 /nfs/dbraw/zinc/21/57/01/245215701.db2.gz HASDJHUMTGALMZ-KBAYOESNSA-N 2 2 328.460 2.096 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H](CO)c2ccnn2C)CC[N@H+]1Cc1ccccc1 ZINC000459704404 245215709 /nfs/dbraw/zinc/21/57/09/245215709.db2.gz HASDJHUMTGALMZ-KBAYOESNSA-N 2 2 328.460 2.096 10 0 EEAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000453254843 285118595 /nfs/dbraw/zinc/11/85/95/285118595.db2.gz FEZCYRJSWQFNBQ-AEFFLSMTSA-N 2 2 336.476 2.209 10 0 EEAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000453254843 285118596 /nfs/dbraw/zinc/11/85/96/285118596.db2.gz FEZCYRJSWQFNBQ-AEFFLSMTSA-N 2 2 336.476 2.209 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN([C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000091633718 292221827 /nfs/dbraw/zinc/22/18/27/292221827.db2.gz DNTGTVCZXGICEF-DLBZAZTESA-N 2 2 335.467 2.225 10 0 EEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)CCC1CC[NH2+]CC1)C2 ZINC000263085783 152371253 /nfs/dbraw/zinc/37/12/53/152371253.db2.gz XXCPXPIMDQDDML-OAHLLOKOSA-N 2 2 332.492 2.391 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCc1cccnc1 ZINC000078802071 159124096 /nfs/dbraw/zinc/12/40/96/159124096.db2.gz NYPKLWTVXJOEQQ-IBGZPJMESA-N 2 2 344.503 2.286 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NCc1cccnc1 ZINC000078802071 159124097 /nfs/dbraw/zinc/12/40/97/159124097.db2.gz NYPKLWTVXJOEQQ-IBGZPJMESA-N 2 2 344.503 2.286 10 0 EEAELP C[NH+](C)C1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000091672030 159206739 /nfs/dbraw/zinc/20/67/39/159206739.db2.gz UZLZBMKCOSXAOW-UHFFFAOYSA-N 2 2 342.443 2.374 10 0 EEAELP CC(C)[N@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000101982681 159259600 /nfs/dbraw/zinc/25/96/00/159259600.db2.gz UEXPRCZOUOUKEK-UHFFFAOYSA-N 2 2 329.448 2.071 10 0 EEAELP CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000101982681 159259603 /nfs/dbraw/zinc/25/96/03/159259603.db2.gz UEXPRCZOUOUKEK-UHFFFAOYSA-N 2 2 329.448 2.071 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[NH+]4CCC3CC4)cn2c1 ZINC000188623549 160126263 /nfs/dbraw/zinc/12/62/63/160126263.db2.gz SATJPNMQWJOEQQ-UHFFFAOYSA-N 2 2 344.484 2.183 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COCc1cccs1 ZINC000247065224 160307813 /nfs/dbraw/zinc/30/78/13/160307813.db2.gz OHGLHJZGFRFYQK-HZPDHXFCSA-N 2 2 335.473 2.295 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COCc1cccs1 ZINC000247065224 160307815 /nfs/dbraw/zinc/30/78/15/160307815.db2.gz OHGLHJZGFRFYQK-HZPDHXFCSA-N 2 2 335.473 2.295 10 0 EEAELP CC(C)NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248165495 160339756 /nfs/dbraw/zinc/33/97/56/160339756.db2.gz SXJNERPDFBATAK-RBUKOAKNSA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248165495 160339757 /nfs/dbraw/zinc/33/97/57/160339757.db2.gz SXJNERPDFBATAK-RBUKOAKNSA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248165495 160339758 /nfs/dbraw/zinc/33/97/58/160339758.db2.gz SXJNERPDFBATAK-RBUKOAKNSA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248165495 160339759 /nfs/dbraw/zinc/33/97/59/160339759.db2.gz SXJNERPDFBATAK-RBUKOAKNSA-N 2 2 329.488 2.498 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000248421433 160345378 /nfs/dbraw/zinc/34/53/78/160345378.db2.gz MHGZNKIKAJQBNG-OWCLPIDISA-N 2 2 342.443 2.159 10 0 EEAELP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000344359151 161220232 /nfs/dbraw/zinc/22/02/32/161220232.db2.gz FGCKNHKVXPKJQN-YJBOKZPZSA-N 2 2 326.444 2.466 10 0 EEAELP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000344359151 161220233 /nfs/dbraw/zinc/22/02/33/161220233.db2.gz FGCKNHKVXPKJQN-YJBOKZPZSA-N 2 2 326.444 2.466 10 0 EEAELP Cc1cn2cc(NC(=O)c3c(C)nn(C)c3-n3cc[nH+]c3C)ccc2[nH+]1 ZINC000355537681 163222709 /nfs/dbraw/zinc/22/27/09/163222709.db2.gz ASOMYRAVQRLYRP-UHFFFAOYSA-N 2 2 349.398 2.431 10 0 EEAELP COc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000359978777 164208402 /nfs/dbraw/zinc/20/84/02/164208402.db2.gz YAXRBPIDWBXATO-UHFFFAOYSA-N 2 2 327.428 2.212 10 0 EEAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368105636 166051414 /nfs/dbraw/zinc/05/14/14/166051414.db2.gz UVXQOFYCHCFMLA-OCCSQVGLSA-N 2 2 328.416 2.283 10 0 EEAELP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368105636 166051415 /nfs/dbraw/zinc/05/14/15/166051415.db2.gz UVXQOFYCHCFMLA-OCCSQVGLSA-N 2 2 328.416 2.283 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCc1[nH+]ccn1C ZINC000370005163 166374702 /nfs/dbraw/zinc/37/47/02/166374702.db2.gz FACXFHPUFXKAEQ-MRXNPFEDSA-N 2 2 341.459 2.226 10 0 EEAELP COCC[NH2+]CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423335919 292564106 /nfs/dbraw/zinc/56/41/06/292564106.db2.gz QBNIANMLESZUGJ-AWEZNQCLSA-N 2 2 343.265 2.488 10 0 EEAELP COC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000193990610 268623332 /nfs/dbraw/zinc/62/33/32/268623332.db2.gz DWXBZNFTSKZTKP-IRXDYDNUSA-N 2 2 326.868 2.464 10 0 EEAELP CCC[C@@H](C)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000182189414 274010640 /nfs/dbraw/zinc/01/06/40/274010640.db2.gz HXDJHJHKKSMEEH-IAGOWNOFSA-N 2 2 347.507 2.308 10 0 EEAELP Cn1c[nH+]cc1CC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000289248925 275105842 /nfs/dbraw/zinc/10/58/42/275105842.db2.gz BEZNNMGWYNWMRG-UHFFFAOYSA-N 2 2 327.432 2.249 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000289680298 275138472 /nfs/dbraw/zinc/13/84/72/275138472.db2.gz ZJYHGHLWZQWPKW-SFHVURJKSA-N 2 2 337.439 2.136 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000289680298 275138474 /nfs/dbraw/zinc/13/84/74/275138474.db2.gz ZJYHGHLWZQWPKW-SFHVURJKSA-N 2 2 337.439 2.136 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084852 275373840 /nfs/dbraw/zinc/37/38/40/275373840.db2.gz GAWRVVSWSZKIIA-PKOBYXMFSA-N 2 2 331.435 2.349 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084852 275373842 /nfs/dbraw/zinc/37/38/42/275373842.db2.gz GAWRVVSWSZKIIA-PKOBYXMFSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084852 275373843 /nfs/dbraw/zinc/37/38/43/275373843.db2.gz GAWRVVSWSZKIIA-PKOBYXMFSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)C1 ZINC000292084852 275373845 /nfs/dbraw/zinc/37/38/45/275373845.db2.gz GAWRVVSWSZKIIA-PKOBYXMFSA-N 2 2 331.435 2.349 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292147913 275384461 /nfs/dbraw/zinc/38/44/61/275384461.db2.gz NESGUNSSVFAPSL-HLIPFELVSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292147913 275384462 /nfs/dbraw/zinc/38/44/62/275384462.db2.gz NESGUNSSVFAPSL-HLIPFELVSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292147913 275384463 /nfs/dbraw/zinc/38/44/63/275384463.db2.gz NESGUNSSVFAPSL-HLIPFELVSA-N 2 2 329.488 2.322 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292147913 275384464 /nfs/dbraw/zinc/38/44/64/275384464.db2.gz NESGUNSSVFAPSL-HLIPFELVSA-N 2 2 329.488 2.322 10 0 EEAELP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000358401624 288091679 /nfs/dbraw/zinc/09/16/79/288091679.db2.gz NYRBJZXVVJUUSG-PVAVHDDUSA-N 2 2 333.476 2.144 10 0 EEAELP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000358401624 288091681 /nfs/dbraw/zinc/09/16/81/288091681.db2.gz NYRBJZXVVJUUSG-PVAVHDDUSA-N 2 2 333.476 2.144 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1C ZINC000361750473 279396698 /nfs/dbraw/zinc/39/66/98/279396698.db2.gz NTDMWXYIEULDTB-GOEBONIOSA-N 2 2 333.480 2.162 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1C ZINC000361750473 279396701 /nfs/dbraw/zinc/39/67/01/279396701.db2.gz NTDMWXYIEULDTB-GOEBONIOSA-N 2 2 333.480 2.162 10 0 EEAELP COCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000293527277 293230782 /nfs/dbraw/zinc/23/07/82/293230782.db2.gz WORDXNBAFZBHCZ-FUHWJXTLSA-N 2 2 337.533 2.322 10 0 EEAELP COCC[N@H+]1CC[C@H](NC[C@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000293527277 293230784 /nfs/dbraw/zinc/23/07/84/293230784.db2.gz WORDXNBAFZBHCZ-FUHWJXTLSA-N 2 2 337.533 2.322 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cc(F)cc(F)c2F)CC1 ZINC000297144476 294163771 /nfs/dbraw/zinc/16/37/71/294163771.db2.gz SUPSTVDNEPNHBM-UHFFFAOYSA-N 2 2 344.381 2.251 10 0 EEAELP C[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]cc3Cl)CC2)CC1 ZINC000301507059 294863259 /nfs/dbraw/zinc/86/32/59/294863259.db2.gz JHARSWJZIUBQHT-UHFFFAOYSA-N 2 2 336.867 2.116 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)nc[nH+]1 ZINC000333908729 312212441 /nfs/dbraw/zinc/21/24/41/312212441.db2.gz KQSVVJKGMMKKEX-ZYSHUDEJSA-N 2 2 345.491 2.282 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)[nH+]cn1 ZINC000333908729 312212443 /nfs/dbraw/zinc/21/24/43/312212443.db2.gz KQSVVJKGMMKKEX-ZYSHUDEJSA-N 2 2 345.491 2.282 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)c[nH+]2)CC1 ZINC000333913748 312213281 /nfs/dbraw/zinc/21/32/81/312213281.db2.gz MGLNAFGPPKEPNX-NVXWUHKLSA-N 2 2 345.491 2.115 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(C)on3)cn2)CC1 ZINC000340470061 312258267 /nfs/dbraw/zinc/25/82/67/312258267.db2.gz ZGRCJIDRGFYHIJ-HNNXBMFYSA-N 2 2 329.448 2.371 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)n1C ZINC000414355198 313003037 /nfs/dbraw/zinc/00/30/37/313003037.db2.gz AWXBYUSZEWWUHO-GFCCVEGCSA-N 2 2 335.402 2.133 10 0 EEAELP C[NH2+]Cc1ccccc1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000415912670 313203582 /nfs/dbraw/zinc/20/35/82/313203582.db2.gz MKHACIJGTYSDGU-KRWDZBQOSA-N 2 2 346.475 2.125 10 0 EEAELP CC(C)SCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000525165055 317041180 /nfs/dbraw/zinc/04/11/80/317041180.db2.gz JZDSFLDLQOTONU-UHFFFAOYSA-N 2 2 327.538 2.195 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015831 317303411 /nfs/dbraw/zinc/30/34/11/317303411.db2.gz ZEJSAOOEMXPWLU-BBRMVZONSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(S(N)(=O)=O)cc1 ZINC000528015831 317303415 /nfs/dbraw/zinc/30/34/15/317303415.db2.gz ZEJSAOOEMXPWLU-BBRMVZONSA-N 2 2 337.489 2.002 10 0 EEAELP C[NH+](C)C1CN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000541466759 318099842 /nfs/dbraw/zinc/09/98/42/318099842.db2.gz RTIMWJXOIRNKCH-HNNXBMFYSA-N 2 2 330.476 2.266 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1cccc(F)c1 ZINC000542158756 318122981 /nfs/dbraw/zinc/12/29/81/318122981.db2.gz NLNFZOIRQKJWQJ-XJKSGUPXSA-N 2 2 330.407 2.401 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C1=O ZINC000542157501 318122988 /nfs/dbraw/zinc/12/29/88/318122988.db2.gz AZTOOUOFIXZCAT-DLBZAZTESA-N 2 2 342.418 2.327 10 0 EEAELP C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1=CC[N@H+](C)CC1 ZINC000542823849 318144473 /nfs/dbraw/zinc/14/44/73/318144473.db2.gz OZGRHLSRDGFGSE-LBPRGKRZSA-N 2 2 347.850 2.437 10 0 EEAELP C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1=CC[N@@H+](C)CC1 ZINC000542823849 318144474 /nfs/dbraw/zinc/14/44/74/318144474.db2.gz OZGRHLSRDGFGSE-LBPRGKRZSA-N 2 2 347.850 2.437 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)NCc1ccc(N2CCCCC2)[nH+]c1 ZINC000544623258 318193115 /nfs/dbraw/zinc/19/31/15/318193115.db2.gz SIMAEOVKKNLMCW-UHFFFAOYSA-N 2 2 333.480 2.165 10 0 EEAELP NC(=O)c1c[nH+]ccc1N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000554522422 318560134 /nfs/dbraw/zinc/56/01/34/318560134.db2.gz RZQBCDHOUFQUSS-ZDUSSCGKSA-N 2 2 325.416 2.097 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000564986624 319136137 /nfs/dbraw/zinc/13/61/37/319136137.db2.gz AZBNLHCWIUKQTQ-HXUWFJFHSA-N 2 2 345.487 2.167 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000564986624 319136140 /nfs/dbraw/zinc/13/61/40/319136140.db2.gz AZBNLHCWIUKQTQ-HXUWFJFHSA-N 2 2 345.487 2.167 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000565156036 319153853 /nfs/dbraw/zinc/15/38/53/319153853.db2.gz HDLLWDGGPOEXDG-MRXNPFEDSA-N 2 2 343.475 2.277 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)n1 ZINC000565156036 319153854 /nfs/dbraw/zinc/15/38/54/319153854.db2.gz HDLLWDGGPOEXDG-MRXNPFEDSA-N 2 2 343.475 2.277 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000566416793 319284023 /nfs/dbraw/zinc/28/40/23/319284023.db2.gz OYHDMSYJXJKWDF-BXUZGUMPSA-N 2 2 343.265 2.175 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000566416793 319284024 /nfs/dbraw/zinc/28/40/24/319284024.db2.gz OYHDMSYJXJKWDF-BXUZGUMPSA-N 2 2 343.265 2.175 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)COC1CCC([NH3+])CC1 ZINC000570567140 319677352 /nfs/dbraw/zinc/67/73/52/319677352.db2.gz SLCAYOASHHQNEP-UHFFFAOYSA-N 2 2 344.459 2.138 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000577762191 320274418 /nfs/dbraw/zinc/27/44/18/320274418.db2.gz FUCBGHVCBQPEON-WFASDCNBSA-N 2 2 325.403 2.026 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000577762191 320274419 /nfs/dbraw/zinc/27/44/19/320274419.db2.gz FUCBGHVCBQPEON-WFASDCNBSA-N 2 2 325.403 2.026 10 0 EEAELP C[C@H]([NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1)C1CCS(=O)(=O)CC1 ZINC000186991965 323448177 /nfs/dbraw/zinc/44/81/77/323448177.db2.gz HEYHOZJJJZABHP-HNNXBMFYSA-N 2 2 347.484 2.234 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000579332750 323827548 /nfs/dbraw/zinc/82/75/48/323827548.db2.gz ZKPBGOCRHJQAJS-FUHWJXTLSA-N 2 2 341.459 2.292 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000580557104 324087349 /nfs/dbraw/zinc/08/73/49/324087349.db2.gz GZRQNHCPPYTEJA-UHFFFAOYSA-N 2 2 334.489 2.349 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C1 ZINC000582070909 324373832 /nfs/dbraw/zinc/37/38/32/324373832.db2.gz BFPMVBSDAOZBMF-DYVFJYSZSA-N 2 2 330.407 2.107 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)C1 ZINC000582070909 324373836 /nfs/dbraw/zinc/37/38/36/324373836.db2.gz BFPMVBSDAOZBMF-DYVFJYSZSA-N 2 2 330.407 2.107 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1CNc1nc2ccccc2n2c[nH+]cc12 ZINC000623934180 450640724 /nfs/dbraw/zinc/64/07/24/450640724.db2.gz DXINKCPTIXSTDY-CQSZACIVSA-N 2 2 325.416 2.405 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1CNc1nc2ccccc2n2c[nH+]cc12 ZINC000623934180 450640731 /nfs/dbraw/zinc/64/07/31/450640731.db2.gz DXINKCPTIXSTDY-CQSZACIVSA-N 2 2 325.416 2.405 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000339055042 465055503 /nfs/dbraw/zinc/05/55/03/465055503.db2.gz CYLLOCQTDDCTDP-YOFSQIOKSA-N 2 2 328.504 2.387 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000339055042 465055507 /nfs/dbraw/zinc/05/55/07/465055507.db2.gz CYLLOCQTDDCTDP-YOFSQIOKSA-N 2 2 328.504 2.387 10 0 EEAELP CCc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000339055042 465055513 /nfs/dbraw/zinc/05/55/13/465055513.db2.gz CYLLOCQTDDCTDP-YOFSQIOKSA-N 2 2 328.504 2.387 10 0 EEAELP CCc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000339055042 465055517 /nfs/dbraw/zinc/05/55/17/465055517.db2.gz CYLLOCQTDDCTDP-YOFSQIOKSA-N 2 2 328.504 2.387 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000358320456 465056910 /nfs/dbraw/zinc/05/69/10/465056910.db2.gz POVLLCKAFAOMTB-INWMFGNUSA-N 2 2 330.394 2.396 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000358320456 465056914 /nfs/dbraw/zinc/05/69/14/465056914.db2.gz POVLLCKAFAOMTB-INWMFGNUSA-N 2 2 330.394 2.396 10 0 EEAELP Cc1cc(C)n2c(C[NH2+][C@@H]3CCO[C@H](c4c[nH+]cn4C)C3)cnc2n1 ZINC000328628849 465078415 /nfs/dbraw/zinc/07/84/15/465078415.db2.gz HQRMUNNUNRXBIQ-PBHICJAKSA-N 2 2 340.431 2.090 10 0 EEAELP O[C@H](COCc1ccccc1F)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336883048 465078859 /nfs/dbraw/zinc/07/88/59/465078859.db2.gz YANKCNQFLIYLFV-INIZCTEOSA-N 2 2 333.407 2.306 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3sccc3F)CC2)CC1 ZINC000339547252 465338921 /nfs/dbraw/zinc/33/89/21/465338921.db2.gz QWHVONRKZNLVKY-UHFFFAOYSA-N 2 2 325.453 2.176 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129923 468300549 /nfs/dbraw/zinc/30/05/49/468300549.db2.gz LWALSANERYTQKI-VBNZEHGJSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535129923 468300555 /nfs/dbraw/zinc/30/05/55/468300555.db2.gz LWALSANERYTQKI-VBNZEHGJSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535129923 468300562 /nfs/dbraw/zinc/30/05/62/468300562.db2.gz LWALSANERYTQKI-VBNZEHGJSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535129923 468300569 /nfs/dbraw/zinc/30/05/69/468300569.db2.gz LWALSANERYTQKI-VBNZEHGJSA-N 2 2 339.842 2.292 10 0 EEAELP Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c(C)[nH+]1 ZINC000156111924 462980766 /nfs/dbraw/zinc/98/07/66/462980766.db2.gz JATKOIJLEVMXQH-CVEARBPZSA-N 2 2 344.459 2.111 10 0 EEAELP Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c(C)[nH+]1 ZINC000156111924 462980774 /nfs/dbraw/zinc/98/07/74/462980774.db2.gz JATKOIJLEVMXQH-CVEARBPZSA-N 2 2 344.459 2.111 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000157050279 463093328 /nfs/dbraw/zinc/09/33/28/463093328.db2.gz ZYHVFQBHQFVRSG-WBVHZDCISA-N 2 2 345.491 2.210 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1 ZINC000157050279 463093330 /nfs/dbraw/zinc/09/33/30/463093330.db2.gz ZYHVFQBHQFVRSG-WBVHZDCISA-N 2 2 345.491 2.210 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cnn(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000097095376 463321081 /nfs/dbraw/zinc/32/10/81/463321081.db2.gz VIDUTJVXLQFSMJ-UXPWSPDFSA-N 2 2 342.487 2.128 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)c2cnn(C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000097095376 463321087 /nfs/dbraw/zinc/32/10/87/463321087.db2.gz VIDUTJVXLQFSMJ-UXPWSPDFSA-N 2 2 342.487 2.128 10 0 EEAELP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000080620647 463338508 /nfs/dbraw/zinc/33/85/08/463338508.db2.gz YTTBRIMBWQKXNU-IBGZPJMESA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000080620647 463338511 /nfs/dbraw/zinc/33/85/11/463338511.db2.gz YTTBRIMBWQKXNU-IBGZPJMESA-N 2 2 345.462 2.487 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC000069849289 463338659 /nfs/dbraw/zinc/33/86/59/463338659.db2.gz PXHZAHOQLIAEIV-HKUYNNGSSA-N 2 2 344.503 2.427 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC000069849289 463338664 /nfs/dbraw/zinc/33/86/64/463338664.db2.gz PXHZAHOQLIAEIV-HKUYNNGSSA-N 2 2 344.503 2.427 10 0 EEAELP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000069849289 463338670 /nfs/dbraw/zinc/33/86/70/463338670.db2.gz PXHZAHOQLIAEIV-HKUYNNGSSA-N 2 2 344.503 2.427 10 0 EEAELP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000069849289 463338674 /nfs/dbraw/zinc/33/86/74/463338674.db2.gz PXHZAHOQLIAEIV-HKUYNNGSSA-N 2 2 344.503 2.427 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[N@@H+]1C ZINC000123621991 463356095 /nfs/dbraw/zinc/35/60/95/463356095.db2.gz SGCHNCMKYNKSPM-AEFFLSMTSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[N@H+]1C ZINC000123621991 463356103 /nfs/dbraw/zinc/35/61/03/463356103.db2.gz SGCHNCMKYNKSPM-AEFFLSMTSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[NH+]1C ZINC000123621991 463356111 /nfs/dbraw/zinc/35/61/11/463356111.db2.gz SGCHNCMKYNKSPM-AEFFLSMTSA-N 2 2 329.488 2.249 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CC2)CC[NH+]1C ZINC000123621991 463356116 /nfs/dbraw/zinc/35/61/16/463356116.db2.gz SGCHNCMKYNKSPM-AEFFLSMTSA-N 2 2 329.488 2.249 10 0 EEAELP c1nnn(Cc2ccccc2)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000491346587 468356034 /nfs/dbraw/zinc/35/60/34/468356034.db2.gz NNHWFVBVPNAERT-UHFFFAOYSA-N 2 2 325.460 2.433 10 0 EEAELP CCc1noc([C@@H](C)N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000162997209 463555509 /nfs/dbraw/zinc/55/55/09/463555509.db2.gz NIUXOXRUKDBOHY-OAHLLOKOSA-N 2 2 346.479 2.296 10 0 EEAELP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177593234 463745374 /nfs/dbraw/zinc/74/53/74/463745374.db2.gz MIGNSJRXWZAELS-SFHVURJKSA-N 2 2 345.491 2.464 10 0 EEAELP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cncnc3)CC2)cc1 ZINC000171129516 463793219 /nfs/dbraw/zinc/79/32/19/463793219.db2.gz STHLOGYAPQLMJM-UHFFFAOYSA-N 2 2 339.487 2.164 10 0 EEAELP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCOCC2 ZINC000579592852 468382219 /nfs/dbraw/zinc/38/22/19/468382219.db2.gz JMLMBRNWNORXSN-CQSZACIVSA-N 3 2 332.473 2.121 10 0 EEAELP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)CC12CCOCC2 ZINC000579592852 468382223 /nfs/dbraw/zinc/38/22/23/468382223.db2.gz JMLMBRNWNORXSN-CQSZACIVSA-N 3 2 332.473 2.121 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n2cccc(C)c2n1 ZINC000178747215 463959526 /nfs/dbraw/zinc/95/95/26/463959526.db2.gz ZIQQXZPMOGLBKH-KRWDZBQOSA-N 2 2 337.427 2.172 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(=O)n2cccc(C)c2n1 ZINC000178747215 463959529 /nfs/dbraw/zinc/95/95/29/463959529.db2.gz ZIQQXZPMOGLBKH-KRWDZBQOSA-N 2 2 337.427 2.172 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000178747933 463961301 /nfs/dbraw/zinc/96/13/01/463961301.db2.gz GGTATKRUUMFNGQ-AWEZNQCLSA-N 2 2 333.823 2.343 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cn1 ZINC000178747933 463961306 /nfs/dbraw/zinc/96/13/06/463961306.db2.gz GGTATKRUUMFNGQ-AWEZNQCLSA-N 2 2 333.823 2.343 10 0 EEAELP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269684494 464056818 /nfs/dbraw/zinc/05/68/18/464056818.db2.gz NJWQGLZHDRHZJX-KRWDZBQOSA-N 2 2 339.443 2.291 10 0 EEAELP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000269684494 464056822 /nfs/dbraw/zinc/05/68/22/464056822.db2.gz NJWQGLZHDRHZJX-KRWDZBQOSA-N 2 2 339.443 2.291 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccccc1 ZINC000270258726 464237048 /nfs/dbraw/zinc/23/70/48/464237048.db2.gz CPDLEBDKSONJOG-AEFFLSMTSA-N 2 2 339.443 2.238 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCCNc2cccc[nH+]2)[C@@H]1c1ccccc1 ZINC000270258726 464237056 /nfs/dbraw/zinc/23/70/56/464237056.db2.gz CPDLEBDKSONJOG-AEFFLSMTSA-N 2 2 339.443 2.238 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cncc(F)c2)nc[nH+]1 ZINC000180565288 464337786 /nfs/dbraw/zinc/33/77/86/464337786.db2.gz KNQJUQDODLBBET-IUODEOHRSA-N 2 2 330.411 2.372 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000180664002 464363199 /nfs/dbraw/zinc/36/31/99/464363199.db2.gz BQKUMQNJQVMEGK-VKJFTORMSA-N 2 2 342.443 2.207 10 0 EEAELP CCc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000284849018 464364668 /nfs/dbraw/zinc/36/46/68/464364668.db2.gz DOURSZDPYDHADN-SJORKVTESA-N 2 2 339.443 2.010 10 0 EEAELP CCc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000284849018 464364676 /nfs/dbraw/zinc/36/46/76/464364676.db2.gz DOURSZDPYDHADN-SJORKVTESA-N 2 2 339.443 2.010 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000174232764 464380780 /nfs/dbraw/zinc/38/07/80/464380780.db2.gz JGUGILVGWMWFIX-QGZVFWFLSA-N 2 2 345.491 2.142 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000174232764 464380784 /nfs/dbraw/zinc/38/07/84/464380784.db2.gz JGUGILVGWMWFIX-QGZVFWFLSA-N 2 2 345.491 2.142 10 0 EEAELP Cc1cccc(OCCNC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265480308 464574040 /nfs/dbraw/zinc/57/40/40/464574040.db2.gz KPKGWOLDTDIGDD-UHFFFAOYSA-N 2 2 342.443 2.093 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2nc3ccccc3n2C)CCO1 ZINC000275702569 464785561 /nfs/dbraw/zinc/78/55/61/464785561.db2.gz XREPLSLYDRNLAB-GUYCJALGSA-N 2 2 325.416 2.317 10 0 EEAELP CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000249700865 464903921 /nfs/dbraw/zinc/90/39/21/464903921.db2.gz YCSDEICKZUWVOV-DLBZAZTESA-N 2 2 339.443 2.356 10 0 EEAELP CC[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000249700865 464903924 /nfs/dbraw/zinc/90/39/24/464903924.db2.gz YCSDEICKZUWVOV-DLBZAZTESA-N 2 2 339.443 2.356 10 0 EEAELP C[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000177431882 465013845 /nfs/dbraw/zinc/01/38/45/465013845.db2.gz ZNAIPCCKBXWFGR-IAGOWNOFSA-N 2 2 333.480 2.179 10 0 EEAELP COc1ccc([C@@H](C)C[NH+]2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000342944864 465405150 /nfs/dbraw/zinc/40/51/50/465405150.db2.gz VAUBVHYZEBZMKL-INIZCTEOSA-N 2 2 328.460 2.350 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371274505 465679721 /nfs/dbraw/zinc/67/97/21/465679721.db2.gz VYMZWXLNVUWOPX-DLBZAZTESA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000371274505 465679734 /nfs/dbraw/zinc/67/97/34/465679734.db2.gz VYMZWXLNVUWOPX-DLBZAZTESA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371274505 465679745 /nfs/dbraw/zinc/67/97/45/465679745.db2.gz VYMZWXLNVUWOPX-DLBZAZTESA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000371274505 465679747 /nfs/dbraw/zinc/67/97/47/465679747.db2.gz VYMZWXLNVUWOPX-DLBZAZTESA-N 2 2 338.455 2.295 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000353428202 465874967 /nfs/dbraw/zinc/87/49/67/465874967.db2.gz DFCANUBMBALXLD-JZXOWHBKSA-N 2 2 337.508 2.009 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000353428202 465874975 /nfs/dbraw/zinc/87/49/75/465874975.db2.gz DFCANUBMBALXLD-JZXOWHBKSA-N 2 2 337.508 2.009 10 0 EEAELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000353428202 465874982 /nfs/dbraw/zinc/87/49/82/465874982.db2.gz DFCANUBMBALXLD-JZXOWHBKSA-N 2 2 337.508 2.009 10 0 EEAELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000353428202 465874988 /nfs/dbraw/zinc/87/49/88/465874988.db2.gz DFCANUBMBALXLD-JZXOWHBKSA-N 2 2 337.508 2.009 10 0 EEAELP O=C([C@H]1COCC[N@@H+]1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353453725 465894564 /nfs/dbraw/zinc/89/45/64/465894564.db2.gz ZJXGQHFKMSUJPV-RBUKOAKNSA-N 2 2 349.519 2.107 10 0 EEAELP O=C([C@H]1COCC[N@H+]1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353453725 465894568 /nfs/dbraw/zinc/89/45/68/465894568.db2.gz ZJXGQHFKMSUJPV-RBUKOAKNSA-N 2 2 349.519 2.107 10 0 EEAELP CCC[N@@H+]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000301382621 465953161 /nfs/dbraw/zinc/95/31/61/465953161.db2.gz ARVHEJSHSXBDQN-UHFFFAOYSA-N 2 2 345.447 2.151 10 0 EEAELP CCC[N@H+]1CCCN(c2nc(N)c3cc(OC)c(OC)cc3[nH+]2)CC1 ZINC000301382621 465953172 /nfs/dbraw/zinc/95/31/72/465953172.db2.gz ARVHEJSHSXBDQN-UHFFFAOYSA-N 2 2 345.447 2.151 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000361520030 466068363 /nfs/dbraw/zinc/06/83/63/466068363.db2.gz RHIALEBFAORYNF-UHFFFAOYSA-N 2 2 325.412 2.485 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000340513388 466146132 /nfs/dbraw/zinc/14/61/32/466146132.db2.gz CTFALLINGRGTGC-KRWDZBQOSA-N 2 2 345.418 2.091 10 0 EEAELP Cn1ncc2c1nc(N1CCC[C@@H](C[NH+]3CCCCCC3)C1)[nH+]c2N ZINC000302566134 466155634 /nfs/dbraw/zinc/15/56/34/466155634.db2.gz OPXFHMTYWSBNPJ-AWEZNQCLSA-N 2 2 343.479 2.038 10 0 EEAELP COCCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361529 468480671 /nfs/dbraw/zinc/48/06/71/468480671.db2.gz DDEDUNXRLUTBSN-UXHICEINSA-N 2 2 343.515 2.494 10 0 EEAELP COCCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000569361529 468480677 /nfs/dbraw/zinc/48/06/77/468480677.db2.gz DDEDUNXRLUTBSN-UXHICEINSA-N 2 2 343.515 2.494 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000358014727 466388433 /nfs/dbraw/zinc/38/84/33/466388433.db2.gz CWFWBWLBEHDYGN-OXQOHEQNSA-N 2 2 337.467 2.469 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000358014727 466388437 /nfs/dbraw/zinc/38/84/37/466388437.db2.gz CWFWBWLBEHDYGN-OXQOHEQNSA-N 2 2 337.467 2.469 10 0 EEAELP O=C(CNc1ccc2ccccc2[nH+]1)NCC[NH+]1CCCCCC1 ZINC000555720047 468492214 /nfs/dbraw/zinc/49/22/14/468492214.db2.gz KLYVOOLRGWTQGD-UHFFFAOYSA-N 2 2 326.444 2.639 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000313699754 466543833 /nfs/dbraw/zinc/54/38/33/466543833.db2.gz CYNOWIFADYLOGE-HNNXBMFYSA-N 2 2 327.266 2.302 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(Br)c2)C1 ZINC000313699754 466543840 /nfs/dbraw/zinc/54/38/40/466543840.db2.gz CYNOWIFADYLOGE-HNNXBMFYSA-N 2 2 327.266 2.302 10 0 EEAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332694068 466552543 /nfs/dbraw/zinc/55/25/43/466552543.db2.gz WCPZBWPBINALAI-SJORKVTESA-N 2 2 347.507 2.442 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332694068 466552548 /nfs/dbraw/zinc/55/25/48/466552548.db2.gz WCPZBWPBINALAI-SJORKVTESA-N 2 2 347.507 2.442 10 0 EEAELP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000657480010 471149203 /nfs/dbraw/zinc/14/92/03/471149203.db2.gz IGHOWVDLVVQDKY-AWEZNQCLSA-N 2 2 342.281 2.089 10 0 EEAELP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000657480010 471149208 /nfs/dbraw/zinc/14/92/08/471149208.db2.gz IGHOWVDLVVQDKY-AWEZNQCLSA-N 2 2 342.281 2.089 10 0 EEAELP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000423199329 466695913 /nfs/dbraw/zinc/69/59/13/466695913.db2.gz JRLSDDSELKPFFS-ZDUSSCGKSA-N 2 2 325.478 2.036 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[NH+](C)CC2 ZINC000416161922 466723496 /nfs/dbraw/zinc/72/34/96/466723496.db2.gz SHVONZRZFGOYCO-AWEZNQCLSA-N 2 2 338.455 2.047 10 0 EEAELP C[N@H+]1CCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[NH+](C)CC2 ZINC000416161922 466723503 /nfs/dbraw/zinc/72/35/03/466723503.db2.gz SHVONZRZFGOYCO-AWEZNQCLSA-N 2 2 338.455 2.047 10 0 EEAELP C[NH+]1CCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416161922 466723506 /nfs/dbraw/zinc/72/35/06/466723506.db2.gz SHVONZRZFGOYCO-AWEZNQCLSA-N 2 2 338.455 2.047 10 0 EEAELP C[NH+]1CCC[C@H]1CNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416161922 466723512 /nfs/dbraw/zinc/72/35/12/466723512.db2.gz SHVONZRZFGOYCO-AWEZNQCLSA-N 2 2 338.455 2.047 10 0 EEAELP CC(C)[C@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H](C)[NH3+] ZINC000423913199 466905582 /nfs/dbraw/zinc/90/55/82/466905582.db2.gz JITLOPQEHMXNIJ-DYVFJYSZSA-N 2 2 337.895 2.434 10 0 EEAELP CC(C)[C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H](C)[NH3+] ZINC000423913199 466905585 /nfs/dbraw/zinc/90/55/85/466905585.db2.gz JITLOPQEHMXNIJ-DYVFJYSZSA-N 2 2 337.895 2.434 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376888355 466956422 /nfs/dbraw/zinc/95/64/22/466956422.db2.gz NSRHRYWJTZYJDK-XLIONFOSSA-N 2 2 343.515 2.492 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376888355 466956427 /nfs/dbraw/zinc/95/64/27/466956427.db2.gz NSRHRYWJTZYJDK-XLIONFOSSA-N 2 2 343.515 2.492 10 0 EEAELP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000417924390 466988218 /nfs/dbraw/zinc/98/82/18/466988218.db2.gz MEPAMANREBPZGX-YOEHRIQHSA-N 2 2 339.443 2.179 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417984330 467010579 /nfs/dbraw/zinc/01/05/79/467010579.db2.gz METXUCZJBOXFAU-HUUCEWRRSA-N 2 2 342.846 2.262 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417984330 467010583 /nfs/dbraw/zinc/01/05/83/467010583.db2.gz METXUCZJBOXFAU-HUUCEWRRSA-N 2 2 342.846 2.262 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000370835741 467020384 /nfs/dbraw/zinc/02/03/84/467020384.db2.gz UWTFAODCAAHUCN-DOTOQJQBSA-N 2 2 347.507 2.134 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCc2cn3c([nH+]2)CCCC3)[C@@H](C)C1 ZINC000370835741 467020389 /nfs/dbraw/zinc/02/03/89/467020389.db2.gz UWTFAODCAAHUCN-DOTOQJQBSA-N 2 2 347.507 2.134 10 0 EEAELP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000424333241 467030876 /nfs/dbraw/zinc/03/08/76/467030876.db2.gz LXEXDVIYNFAVEH-RTBURBONSA-N 2 2 345.487 2.054 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418388532 467103805 /nfs/dbraw/zinc/10/38/05/467103805.db2.gz SMKYPUYHBGUYIE-UONOGXRCSA-N 2 2 336.867 2.090 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000381691921 467374664 /nfs/dbraw/zinc/37/46/64/467374664.db2.gz SJYGLXUMXIKRJQ-OALUTQOASA-N 2 2 329.488 2.499 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000381691921 467374667 /nfs/dbraw/zinc/37/46/67/467374667.db2.gz SJYGLXUMXIKRJQ-OALUTQOASA-N 2 2 329.488 2.499 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000448549424 467592445 /nfs/dbraw/zinc/59/24/45/467592445.db2.gz RJDVKVNOUBZBNK-XYJFISCASA-N 2 2 331.460 2.107 10 0 EEAELP CC[C@@H]1[C@H](CO)CC[N@H+]1C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000448549424 467592447 /nfs/dbraw/zinc/59/24/47/467592447.db2.gz RJDVKVNOUBZBNK-XYJFISCASA-N 2 2 331.460 2.107 10 0 EEAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449395066 467637388 /nfs/dbraw/zinc/63/73/88/467637388.db2.gz PHNAHZOQAFJOKP-FUHWJXTLSA-N 2 2 347.503 2.403 10 0 EEAELP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449395066 467637393 /nfs/dbraw/zinc/63/73/93/467637393.db2.gz PHNAHZOQAFJOKP-FUHWJXTLSA-N 2 2 347.503 2.403 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000449397539 467638199 /nfs/dbraw/zinc/63/81/99/467638199.db2.gz VNVLPKSMDUAIQA-GIVPXCGWSA-N 2 2 345.531 2.476 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCCN2CCO)CC[N@H+]1Cc1ccccc1 ZINC000449397539 467638203 /nfs/dbraw/zinc/63/82/03/467638203.db2.gz VNVLPKSMDUAIQA-GIVPXCGWSA-N 2 2 345.531 2.476 10 0 EEAELP Cc1cc(C)c(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(C)[nH+]1 ZINC000455525466 467688862 /nfs/dbraw/zinc/68/88/62/467688862.db2.gz PCWMNILMIYQOKX-CQSZACIVSA-N 2 2 334.464 2.316 10 0 EEAELP Cc1cc(C)c(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(C)[nH+]1 ZINC000455525466 467688867 /nfs/dbraw/zinc/68/88/67/467688867.db2.gz PCWMNILMIYQOKX-CQSZACIVSA-N 2 2 334.464 2.316 10 0 EEAELP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528730253 467742318 /nfs/dbraw/zinc/74/23/18/467742318.db2.gz SLNGRLBRLHZWCB-PKOBYXMFSA-N 2 2 332.488 2.338 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(COC)on2)[C@@H](C)C1 ZINC000459417808 467957903 /nfs/dbraw/zinc/95/79/03/467957903.db2.gz RXRVMDPXMKBPKN-YOEHRIQHSA-N 2 2 325.453 2.048 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(COC)on2)[C@@H](C)C1 ZINC000459417808 467957904 /nfs/dbraw/zinc/95/79/04/467957904.db2.gz RXRVMDPXMKBPKN-YOEHRIQHSA-N 2 2 325.453 2.048 10 0 EEAELP c1ccc(N2CCC([NH2+]C3CCN(c4cnccn4)CC3)CC2)[nH+]c1 ZINC000531946692 468086380 /nfs/dbraw/zinc/08/63/80/468086380.db2.gz IQSSDOGTSRAAHA-UHFFFAOYSA-N 2 2 338.459 2.099 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000594505870 468611416 /nfs/dbraw/zinc/61/14/16/468611416.db2.gz DEUHAVWQBNRDGU-IEBWSBKVSA-N 2 2 346.471 2.287 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCCO)CCC2 ZINC000594505870 468611417 /nfs/dbraw/zinc/61/14/17/468611417.db2.gz DEUHAVWQBNRDGU-IEBWSBKVSA-N 2 2 346.471 2.287 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592393053 468688780 /nfs/dbraw/zinc/68/87/80/468688780.db2.gz CNZJCMPSHMATEH-HOCLYGCPSA-N 2 2 338.492 2.197 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C(=O)OC(C)(C)C)CCOCC1 ZINC000592393053 468688784 /nfs/dbraw/zinc/68/87/84/468688784.db2.gz CNZJCMPSHMATEH-HOCLYGCPSA-N 2 2 338.492 2.197 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2Cc3ccccc3NC(=O)C2)cc1 ZINC000583945250 468777500 /nfs/dbraw/zinc/77/75/00/468777500.db2.gz NLBSCQMGMMGNTH-MRXNPFEDSA-N 2 2 325.412 2.192 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2Cc3ccccc3NC(=O)C2)cc1 ZINC000583945250 468777503 /nfs/dbraw/zinc/77/75/03/468777503.db2.gz NLBSCQMGMMGNTH-MRXNPFEDSA-N 2 2 325.412 2.192 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)c1 ZINC000584227583 468824384 /nfs/dbraw/zinc/82/43/84/468824384.db2.gz XQUADZCHGJFJTO-IEBWSBKVSA-N 2 2 329.444 2.007 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC000601334766 468830961 /nfs/dbraw/zinc/83/09/61/468830961.db2.gz NLIDQNVSUSVPST-RDJZCZTQSA-N 2 2 344.459 2.025 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(C)c1 ZINC000601334766 468830965 /nfs/dbraw/zinc/83/09/65/468830965.db2.gz NLIDQNVSUSVPST-RDJZCZTQSA-N 2 2 344.459 2.025 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571801532 468841684 /nfs/dbraw/zinc/84/16/84/468841684.db2.gz YRUBBDLYXZFIOS-PXNSSMCTSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571801532 468841689 /nfs/dbraw/zinc/84/16/89/468841689.db2.gz YRUBBDLYXZFIOS-PXNSSMCTSA-N 2 2 329.488 2.118 10 0 EEAELP c1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)ccc1C[NH+]1CCOCC1 ZINC000572479732 468939608 /nfs/dbraw/zinc/93/96/08/468939608.db2.gz GVBLPTAZEQMFGP-IBGZPJMESA-N 2 2 348.512 2.227 10 0 EEAELP c1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)ccc1C[NH+]1CCOCC1 ZINC000572479732 468939611 /nfs/dbraw/zinc/93/96/11/468939611.db2.gz GVBLPTAZEQMFGP-IBGZPJMESA-N 2 2 348.512 2.227 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)c1cccc(Cl)c1 ZINC000572720069 468978898 /nfs/dbraw/zinc/97/88/98/468978898.db2.gz BQHCSCISJREHPC-ZBFHGGJFSA-N 2 2 327.831 2.103 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000612325750 469438132 /nfs/dbraw/zinc/43/81/32/469438132.db2.gz NFJXIOVHIUOUJO-GJZGRUSLSA-N 2 2 347.850 2.414 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000612325750 469438134 /nfs/dbraw/zinc/43/81/34/469438134.db2.gz NFJXIOVHIUOUJO-GJZGRUSLSA-N 2 2 347.850 2.414 10 0 EEAELP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087556 469498678 /nfs/dbraw/zinc/49/86/78/469498678.db2.gz RYIOXVMZFQSWFN-SJORKVTESA-N 2 2 339.524 2.257 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](c1[nH+]ccn1C)C(C)(C)CO ZINC000616873369 469532384 /nfs/dbraw/zinc/53/23/84/469532384.db2.gz NXAZPKIWWZQDIX-XJKSGUPXSA-N 2 2 347.463 2.006 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)CC(=O)Nc1cc(OC)ccc1OC ZINC000629525142 469572623 /nfs/dbraw/zinc/57/26/23/469572623.db2.gz YBWIPWSNTUQXRY-VHDGCEQUSA-N 2 2 335.448 2.151 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000629525780 469572984 /nfs/dbraw/zinc/57/29/84/469572984.db2.gz BPBVJGREXZXSPC-RRQGHBQHSA-N 2 2 337.489 2.018 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000617014770 469574158 /nfs/dbraw/zinc/57/41/58/469574158.db2.gz PEXRENJPJBADLY-TWMKSMIVSA-N 2 2 339.524 2.109 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000617014770 469574161 /nfs/dbraw/zinc/57/41/61/469574161.db2.gz PEXRENJPJBADLY-TWMKSMIVSA-N 2 2 339.524 2.109 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000617014770 469574164 /nfs/dbraw/zinc/57/41/64/469574164.db2.gz PEXRENJPJBADLY-TWMKSMIVSA-N 2 2 339.524 2.109 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000617014770 469574169 /nfs/dbraw/zinc/57/41/69/469574169.db2.gz PEXRENJPJBADLY-TWMKSMIVSA-N 2 2 339.524 2.109 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C[NH2+]1 ZINC000626931556 469759369 /nfs/dbraw/zinc/75/93/69/469759369.db2.gz IXUCSWJBSRBDOX-WBVHZDCISA-N 2 2 345.491 2.402 10 0 EEAELP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000617766556 469796952 /nfs/dbraw/zinc/79/69/52/469796952.db2.gz PEXMMUYXUHCMGY-AWEZNQCLSA-N 2 2 325.884 2.443 10 0 EEAELP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cccc(Cl)c1 ZINC000617766556 469796954 /nfs/dbraw/zinc/79/69/54/469796954.db2.gz PEXMMUYXUHCMGY-AWEZNQCLSA-N 2 2 325.884 2.443 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSc1ccc2c(c1)CCC2 ZINC000617768651 469798720 /nfs/dbraw/zinc/79/87/20/469798720.db2.gz OJFWXRAXUVKMDN-UHFFFAOYSA-N 2 2 349.544 2.267 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSc1ccc2c(c1)CCC2 ZINC000617768651 469798726 /nfs/dbraw/zinc/79/87/26/469798726.db2.gz OJFWXRAXUVKMDN-UHFFFAOYSA-N 2 2 349.544 2.267 10 0 EEAELP Cc1nc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(Br)c(C)[nH+]1 ZINC000630385125 469830605 /nfs/dbraw/zinc/83/06/05/469830605.db2.gz BHCWVSFRACAZAR-NEPJUHHUSA-N 2 2 325.254 2.434 10 0 EEAELP CCC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C)ccn1 ZINC000631582804 470173390 /nfs/dbraw/zinc/17/33/90/470173390.db2.gz UCOHBIGTGAXPFF-RBUKOAKNSA-N 2 2 346.519 2.227 10 0 EEAELP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838034 470186549 /nfs/dbraw/zinc/18/65/49/470186549.db2.gz INKVIMDAZAQASZ-MBNYWOFBSA-N 2 2 343.427 2.489 10 0 EEAELP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631838034 470186550 /nfs/dbraw/zinc/18/65/50/470186550.db2.gz INKVIMDAZAQASZ-MBNYWOFBSA-N 2 2 343.427 2.489 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000634707783 470282667 /nfs/dbraw/zinc/28/26/67/470282667.db2.gz LKNMXXBHWCDMEA-NMLACTOBSA-N 2 2 332.488 2.151 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000634707783 470282668 /nfs/dbraw/zinc/28/26/68/470282668.db2.gz LKNMXXBHWCDMEA-NMLACTOBSA-N 2 2 332.488 2.151 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000648714088 470321980 /nfs/dbraw/zinc/32/19/80/470321980.db2.gz SKQCGUFFBFJTSW-OAHLLOKOSA-N 2 2 327.432 2.140 10 0 EEAELP O=C(CCCC[NH+]1CCOCC1)NCc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633523488 470496174 /nfs/dbraw/zinc/49/61/74/470496174.db2.gz LJVMIOJEZBNWEN-UHFFFAOYSA-N 2 2 342.443 2.195 10 0 EEAELP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635403620 470570500 /nfs/dbraw/zinc/57/05/00/470570500.db2.gz VJUMXSQJRHSMFE-IAGOWNOFSA-N 2 2 340.427 2.027 10 0 EEAELP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635403620 470570504 /nfs/dbraw/zinc/57/05/04/470570504.db2.gz VJUMXSQJRHSMFE-IAGOWNOFSA-N 2 2 340.427 2.027 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646378866 470621160 /nfs/dbraw/zinc/62/11/60/470621160.db2.gz LYGDNHCRWLPRTM-CVEARBPZSA-N 2 2 339.443 2.119 10 0 EEAELP CC(C)Oc1ccnc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000649571184 470631286 /nfs/dbraw/zinc/63/12/86/470631286.db2.gz BPAJAVOJWRGFLO-PXNSSMCTSA-N 2 2 346.519 2.327 10 0 EEAELP CC(C)Oc1ccnc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000649571184 470631289 /nfs/dbraw/zinc/63/12/89/470631289.db2.gz BPAJAVOJWRGFLO-PXNSSMCTSA-N 2 2 346.519 2.327 10 0 EEAELP Cc1ccccc1-n1cc(C[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC000647185017 470851951 /nfs/dbraw/zinc/85/19/51/470851951.db2.gz LTOHZBTUWYEAHQ-MRXNPFEDSA-N 2 2 328.460 2.239 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cccc(Br)c2OC)C[C@H]1C[NH3+] ZINC000650714554 470949083 /nfs/dbraw/zinc/94/90/83/470949083.db2.gz NFWADUVNSCAQFQ-TZMCWYRMSA-N 2 2 343.265 2.253 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cccc(Br)c2OC)C[C@H]1C[NH3+] ZINC000650714554 470949086 /nfs/dbraw/zinc/94/90/86/470949086.db2.gz NFWADUVNSCAQFQ-TZMCWYRMSA-N 2 2 343.265 2.253 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)NCCC[N@@H+](C)CC(C)C)cn21 ZINC000651175847 471078661 /nfs/dbraw/zinc/07/86/61/471078661.db2.gz NWYQFTXWHQGUAL-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)NCCC[N@H+](C)CC(C)C)cn21 ZINC000651175847 471078664 /nfs/dbraw/zinc/07/86/64/471078664.db2.gz NWYQFTXWHQGUAL-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1C ZINC000654657986 471117493 /nfs/dbraw/zinc/11/74/93/471117493.db2.gz AAFFLPDWXOVBDM-GASCZTMLSA-N 2 2 334.464 2.189 10 0 EEAELP C[C@H](c1cccnc1)[NH+]1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645169934 471162255 /nfs/dbraw/zinc/16/22/55/471162255.db2.gz CIEAKBPRKVLFTI-CQSZACIVSA-N 2 2 338.459 2.216 10 0 EEAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658054625 471263389 /nfs/dbraw/zinc/26/33/89/471263389.db2.gz FOIMOVALZQWWTE-HIFRSBDPSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658054625 471263391 /nfs/dbraw/zinc/26/33/91/471263391.db2.gz FOIMOVALZQWWTE-HIFRSBDPSA-N 2 2 339.505 2.118 10 0 EEAELP C[C@H]1C[C@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249408 471280082 /nfs/dbraw/zinc/28/00/82/471280082.db2.gz DZIMTIOXFDZNSD-RBUKOAKNSA-N 2 2 342.531 2.414 10 0 EEAELP C[C@H]1C[C@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249408 471280083 /nfs/dbraw/zinc/28/00/83/471280083.db2.gz DZIMTIOXFDZNSD-RBUKOAKNSA-N 2 2 342.531 2.414 10 0 EEAELP C[C@H]1C[C@H](NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249408 471280085 /nfs/dbraw/zinc/28/00/85/471280085.db2.gz DZIMTIOXFDZNSD-RBUKOAKNSA-N 2 2 342.531 2.414 10 0 EEAELP C[C@H]1C[C@H](NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249408 471280088 /nfs/dbraw/zinc/28/00/88/471280088.db2.gz DZIMTIOXFDZNSD-RBUKOAKNSA-N 2 2 342.531 2.414 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000658341244 471289980 /nfs/dbraw/zinc/28/99/80/471289980.db2.gz HVISYPIBNXBZLH-OAQYLSRUSA-N 2 2 342.531 2.019 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC2CC[NH+](C3CC3)CC2)C1 ZINC000658341244 471289983 /nfs/dbraw/zinc/28/99/83/471289983.db2.gz HVISYPIBNXBZLH-OAQYLSRUSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000658341244 471289985 /nfs/dbraw/zinc/28/99/85/471289985.db2.gz HVISYPIBNXBZLH-OAQYLSRUSA-N 2 2 342.531 2.019 10 0 EEAELP CC(C)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1nnc2ccccn21 ZINC000655704893 471448246 /nfs/dbraw/zinc/44/82/46/471448246.db2.gz PIFWULNPPPFVPF-SJLPKXTDSA-N 2 2 343.475 2.269 10 0 EEAELP Cn1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C(F)(F)F)n1 ZINC000655734685 471462006 /nfs/dbraw/zinc/46/20/06/471462006.db2.gz MCNOYYNLGFFRNJ-AWEZNQCLSA-N 2 2 346.397 2.172 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl ZINC000653072460 471473723 /nfs/dbraw/zinc/47/37/23/471473723.db2.gz SDTQMXYMXYFFAS-WBMJQRKESA-N 2 2 341.858 2.292 10 0 EEAELP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000655786044 471483162 /nfs/dbraw/zinc/48/31/62/471483162.db2.gz NSOQEZQYKDIHQH-QGZVFWFLSA-N 2 2 326.868 2.291 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000669540600 471541635 /nfs/dbraw/zinc/54/16/35/471541635.db2.gz OLMOXKCAGGYTKL-RYQLBKOJSA-N 2 2 341.459 2.372 10 0 EEAELP CC(=O)c1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000664315547 471716324 /nfs/dbraw/zinc/71/63/24/471716324.db2.gz SVEBHSBOYJZHAX-AWEZNQCLSA-N 2 2 334.464 2.283 10 0 EEAELP CC(=O)c1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664315547 471716331 /nfs/dbraw/zinc/71/63/31/471716331.db2.gz SVEBHSBOYJZHAX-AWEZNQCLSA-N 2 2 334.464 2.283 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000653780109 471738701 /nfs/dbraw/zinc/73/87/01/471738701.db2.gz VSAPNHACYRVZOD-OAHLLOKOSA-N 2 2 346.393 2.223 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000653780109 471738706 /nfs/dbraw/zinc/73/87/06/471738706.db2.gz VSAPNHACYRVZOD-OAHLLOKOSA-N 2 2 346.393 2.223 10 0 EEAELP CC(C)C[N@@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000656660663 471798566 /nfs/dbraw/zinc/79/85/66/471798566.db2.gz OGZFBRLUCHABAC-FQEVSTJZSA-N 2 2 344.503 2.371 10 0 EEAELP CC(C)C[N@H+](Cc1cnn(C)c1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000656660663 471798571 /nfs/dbraw/zinc/79/85/71/471798571.db2.gz OGZFBRLUCHABAC-FQEVSTJZSA-N 2 2 344.503 2.371 10 0 EEAELP CC(C)C[NH+](Cc1cnn(C)c1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656660663 471798573 /nfs/dbraw/zinc/79/85/73/471798573.db2.gz OGZFBRLUCHABAC-FQEVSTJZSA-N 2 2 344.503 2.371 10 0 EEAELP CC(C)C[NH+](Cc1cnn(C)c1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000656660663 471798580 /nfs/dbraw/zinc/79/85/80/471798580.db2.gz OGZFBRLUCHABAC-FQEVSTJZSA-N 2 2 344.503 2.371 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@](O)(C4CC4)C3)c2cc1C ZINC000661631641 471834849 /nfs/dbraw/zinc/83/48/49/471834849.db2.gz GZTSPNUVMYLVMI-YLJYHZDGSA-N 2 2 343.471 2.251 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@](O)(C4CC4)C3)c2cc1C ZINC000661631641 471834853 /nfs/dbraw/zinc/83/48/53/471834853.db2.gz GZTSPNUVMYLVMI-YLJYHZDGSA-N 2 2 343.471 2.251 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000667602517 471838854 /nfs/dbraw/zinc/83/88/54/471838854.db2.gz BXZYFOMNQZVSTN-GOSISDBHSA-N 2 2 345.535 2.290 10 0 EEAELP Cn1ncc(C2CCC2)c1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000667602517 471838861 /nfs/dbraw/zinc/83/88/61/471838861.db2.gz BXZYFOMNQZVSTN-GOSISDBHSA-N 2 2 345.535 2.290 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000661824247 471895485 /nfs/dbraw/zinc/89/54/85/471895485.db2.gz AZGLYTHNBFAPMN-AFAVFJNCSA-N 2 2 340.427 2.297 10 0 EEAELP CC(C)[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CC1 ZINC000661988820 471949084 /nfs/dbraw/zinc/94/90/84/471949084.db2.gz HFNHAHJQMDJBNU-ZZJWQFMZSA-N 2 2 348.535 2.373 10 0 EEAELP CC(C)[C@@H](NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C1CC1 ZINC000661988820 471949087 /nfs/dbraw/zinc/94/90/87/471949087.db2.gz HFNHAHJQMDJBNU-ZZJWQFMZSA-N 2 2 348.535 2.373 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996954 471951554 /nfs/dbraw/zinc/95/15/54/471951554.db2.gz LVKOBBAXNVGEOS-FQEVSTJZSA-N 2 2 344.499 2.370 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996954 471951559 /nfs/dbraw/zinc/95/15/59/471951559.db2.gz LVKOBBAXNVGEOS-FQEVSTJZSA-N 2 2 344.499 2.370 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996954 471951565 /nfs/dbraw/zinc/95/15/65/471951565.db2.gz LVKOBBAXNVGEOS-FQEVSTJZSA-N 2 2 344.499 2.370 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCc2cncc(C)n2)[C@H]2CCC[NH2+]2)cc1 ZINC000665274475 471987113 /nfs/dbraw/zinc/98/71/13/471987113.db2.gz QRXXUWBBOMROHQ-RTBURBONSA-N 2 2 326.444 2.419 10 0 EEAELP COc1ccccc1-c1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)on1 ZINC000665300029 471995262 /nfs/dbraw/zinc/99/52/62/471995262.db2.gz WXIQHZOTTRBOCB-RBUKOAKNSA-N 2 2 343.427 2.207 10 0 EEAELP Nc1nccc([C@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)n1 ZINC000668113212 472013329 /nfs/dbraw/zinc/01/33/29/472013329.db2.gz KPVWOVCFOLPCOV-AWEZNQCLSA-N 2 2 335.415 2.019 10 0 EEAELP Nc1nccc([C@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)n1 ZINC000668113212 472013333 /nfs/dbraw/zinc/01/33/33/472013333.db2.gz KPVWOVCFOLPCOV-AWEZNQCLSA-N 2 2 335.415 2.019 10 0 EEAELP Cc1cn2ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc2[nH+]1 ZINC000668168305 472036505 /nfs/dbraw/zinc/03/65/05/472036505.db2.gz TVKDGIJRFOPFGE-AWEZNQCLSA-N 3 2 346.479 2.036 10 0 EEAELP Cc1cn2ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc2[nH+]1 ZINC000668168305 472036510 /nfs/dbraw/zinc/03/65/10/472036510.db2.gz TVKDGIJRFOPFGE-AWEZNQCLSA-N 3 2 346.479 2.036 10 0 EEAELP Cc1nn(C)c(C)c1[C@H]1COCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279157 472054221 /nfs/dbraw/zinc/05/42/21/472054221.db2.gz GBXVRDWVOSHRIO-LJQANCHMSA-N 2 2 340.471 2.256 10 0 EEAELP Cc1nn(C)c(C)c1[C@H]1COCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279157 472054224 /nfs/dbraw/zinc/05/42/24/472054224.db2.gz GBXVRDWVOSHRIO-LJQANCHMSA-N 2 2 340.471 2.256 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317106 472068077 /nfs/dbraw/zinc/06/80/77/472068077.db2.gz MWKLIDDCPFKKHT-LJQANCHMSA-N 2 2 347.503 2.078 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317106 472068078 /nfs/dbraw/zinc/06/80/78/472068078.db2.gz MWKLIDDCPFKKHT-LJQANCHMSA-N 2 2 347.503 2.078 10 0 EEAELP CC(C)Oc1ccccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665578687 472101092 /nfs/dbraw/zinc/10/10/92/472101092.db2.gz CZWDEMGDDWMYPV-UHFFFAOYSA-N 2 2 336.480 2.479 10 0 EEAELP CC(C)Oc1ccccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665578687 472101094 /nfs/dbraw/zinc/10/10/94/472101094.db2.gz CZWDEMGDDWMYPV-UHFFFAOYSA-N 2 2 336.480 2.479 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662508644 472133764 /nfs/dbraw/zinc/13/37/64/472133764.db2.gz YLVGPSFKKAQQMN-ZNMIVQPWSA-N 2 2 327.831 2.339 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662508644 472133766 /nfs/dbraw/zinc/13/37/66/472133766.db2.gz YLVGPSFKKAQQMN-ZNMIVQPWSA-N 2 2 327.831 2.339 10 0 EEAELP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668670542 472218261 /nfs/dbraw/zinc/21/82/61/472218261.db2.gz NGESFGRXABJCFA-AWEZNQCLSA-N 2 2 342.443 2.231 10 0 EEAELP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668670542 472218269 /nfs/dbraw/zinc/21/82/69/472218269.db2.gz NGESFGRXABJCFA-AWEZNQCLSA-N 2 2 342.443 2.231 10 0 EEAELP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668677116 472222325 /nfs/dbraw/zinc/22/23/25/472222325.db2.gz JJVLKZUUWWBFDW-INIZCTEOSA-N 2 2 332.492 2.485 10 0 EEAELP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668677116 472222330 /nfs/dbraw/zinc/22/23/30/472222330.db2.gz JJVLKZUUWWBFDW-INIZCTEOSA-N 2 2 332.492 2.485 10 0 EEAELP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668677116 472222338 /nfs/dbraw/zinc/22/23/38/472222338.db2.gz JJVLKZUUWWBFDW-INIZCTEOSA-N 2 2 332.492 2.485 10 0 EEAELP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668677116 472222343 /nfs/dbraw/zinc/22/23/43/472222343.db2.gz JJVLKZUUWWBFDW-INIZCTEOSA-N 2 2 332.492 2.485 10 0 EEAELP Cc1[nH+]cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1-c1ccccc1 ZINC000668739760 472248068 /nfs/dbraw/zinc/24/80/68/472248068.db2.gz CLMHNWYAUAKBQV-HXUWFJFHSA-N 2 2 340.471 2.212 10 0 EEAELP Cc1[nH+]cc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)n1-c1ccccc1 ZINC000668739760 472248077 /nfs/dbraw/zinc/24/80/77/472248077.db2.gz CLMHNWYAUAKBQV-HXUWFJFHSA-N 2 2 340.471 2.212 10 0 EEAELP COCCOc1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785007 472266402 /nfs/dbraw/zinc/26/64/02/472266402.db2.gz LFIATFNHPOUJSI-GOSISDBHSA-N 2 2 336.476 2.254 10 0 EEAELP COCCOc1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668785007 472266407 /nfs/dbraw/zinc/26/64/07/472266407.db2.gz LFIATFNHPOUJSI-GOSISDBHSA-N 2 2 336.476 2.254 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@@H](F)C2)CC1 ZINC000679221625 485621448 /nfs/dbraw/zinc/62/14/48/485621448.db2.gz HIWNOKSKKXXIBJ-HKUYNNGSSA-N 2 2 347.478 2.319 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](F)C2)CC1 ZINC000679221625 485621456 /nfs/dbraw/zinc/62/14/56/485621456.db2.gz HIWNOKSKKXXIBJ-HKUYNNGSSA-N 2 2 347.478 2.319 10 0 EEAELP C[NH+]1CCN(CCCC[NH2+]Cc2ncc(C(F)(F)F)s2)CC1 ZINC000683926917 485688129 /nfs/dbraw/zinc/68/81/29/485688129.db2.gz APYBPIUUCWEUPM-UHFFFAOYSA-N 2 2 336.427 2.279 10 0 EEAELP C[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000679577294 485739661 /nfs/dbraw/zinc/73/96/61/485739661.db2.gz PJZWUPHGBGCCQP-YSIASYRMSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000679577294 485739668 /nfs/dbraw/zinc/73/96/68/485739668.db2.gz PJZWUPHGBGCCQP-YSIASYRMSA-N 2 2 332.488 2.418 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCc2ccc(O)cc2CC1 ZINC000676682868 486280923 /nfs/dbraw/zinc/28/09/23/486280923.db2.gz WIAVRRBRWYOEGD-NRFANRHFSA-N 2 2 340.467 2.286 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCc2ccc(O)cc2CC1 ZINC000676682868 486280929 /nfs/dbraw/zinc/28/09/29/486280929.db2.gz WIAVRRBRWYOEGD-NRFANRHFSA-N 2 2 340.467 2.286 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000676682868 486280934 /nfs/dbraw/zinc/28/09/34/486280934.db2.gz WIAVRRBRWYOEGD-NRFANRHFSA-N 2 2 340.467 2.286 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000676682868 486280940 /nfs/dbraw/zinc/28/09/40/486280940.db2.gz WIAVRRBRWYOEGD-NRFANRHFSA-N 2 2 340.467 2.286 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000676756793 486300326 /nfs/dbraw/zinc/30/03/26/486300326.db2.gz LOBPNTCOGRCFAV-OFLPRAFFSA-N 2 2 333.480 2.350 10 0 EEAELP C[NH+]1CCN(C(=O)CC2CC[NH+](C/C(Cl)=C/Cl)CC2)CC1 ZINC000763543890 577722452 /nfs/dbraw/zinc/72/24/52/577722452.db2.gz SLZWIKYOUACWOG-KAMYIIQDSA-N 2 2 334.291 2.182 10 0 EEAELP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000895438617 684600731 /nfs/dbraw/zinc/60/07/31/684600731.db2.gz HTCZDCJHNZVHRC-KBPBESRZSA-N 2 2 330.419 2.381 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)c[nH+]1 ZINC000899812790 693878230 /nfs/dbraw/zinc/87/82/30/693878230.db2.gz QZQDNFPIPWYGLR-HNNXBMFYSA-N 2 2 327.432 2.059 10 0 EEAELP CC1(C)C[N@H+](CCc2cccs2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001485574772 1191851891 /nfs/dbraw/zinc/85/18/91/1191851891.db2.gz XYHSMKRVLYZOOF-MRXNPFEDSA-N 2 2 346.500 2.404 10 0 EEAELP CC1(C)C[N@@H+](CCc2cccs2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001485574772 1191851893 /nfs/dbraw/zinc/85/18/93/1191851893.db2.gz XYHSMKRVLYZOOF-MRXNPFEDSA-N 2 2 346.500 2.404 10 0 EEAELP C[C@H](CCC[NH2+]CC1CC2(CCC2)C1)NC(=O)Cc1c[nH+]cn1C ZINC001485744889 1191928451 /nfs/dbraw/zinc/92/84/51/1191928451.db2.gz OIXNIKLFBINQDD-OAHLLOKOSA-N 2 2 332.492 2.417 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001485790421 1191953738 /nfs/dbraw/zinc/95/37/38/1191953738.db2.gz YHYICMFLVMZEEZ-OAHLLOKOSA-N 2 2 349.866 2.321 10 0 EEAELP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266748334 1177343023 /nfs/dbraw/zinc/34/30/23/1177343023.db2.gz CADLMKYXUPBCAG-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC001691369844 1177974959 /nfs/dbraw/zinc/97/49/59/1177974959.db2.gz WALPMENTDMIASG-MRXNPFEDSA-N 2 2 344.434 2.141 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001267073107 1178191711 /nfs/dbraw/zinc/19/17/11/1178191711.db2.gz NWXRANWWDGKQLA-AMGQUURNSA-N 2 2 338.455 2.425 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267131649 1178303236 /nfs/dbraw/zinc/30/32/36/1178303236.db2.gz HNUJQDNFHODZOE-IACUBPJLSA-N 2 2 347.850 2.246 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267131649 1178303244 /nfs/dbraw/zinc/30/32/44/1178303244.db2.gz HNUJQDNFHODZOE-IACUBPJLSA-N 2 2 347.850 2.246 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC1=CCCCC1 ZINC001267134737 1178305802 /nfs/dbraw/zinc/30/58/02/1178305802.db2.gz XFPMVHPARLWBLH-RDJZCZTQSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001267396604 1178966903 /nfs/dbraw/zinc/96/69/03/1178966903.db2.gz XOABJPOZHBTAIH-MRXNPFEDSA-N 2 2 344.434 2.141 10 0 EEAELP Cc1cccnc1C[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001267510971 1179220396 /nfs/dbraw/zinc/22/03/96/1179220396.db2.gz FVNFNVAIRQLORO-UHFFFAOYSA-N 2 2 343.475 2.083 10 0 EEAELP Cc1cccnc1C[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001267510971 1179220402 /nfs/dbraw/zinc/22/04/02/1179220402.db2.gz FVNFNVAIRQLORO-UHFFFAOYSA-N 2 2 343.475 2.083 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@H]3CC[N@@H+](CC[C@@H](C)F)C3)[nH+]c12 ZINC001481114145 1179769169 /nfs/dbraw/zinc/76/91/69/1179769169.db2.gz HJWJNHWATGIBGF-HZPDHXFCSA-N 2 2 346.450 2.371 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@H]3CC[N@H+](CC[C@@H](C)F)C3)[nH+]c12 ZINC001481114145 1179769172 /nfs/dbraw/zinc/76/91/72/1179769172.db2.gz HJWJNHWATGIBGF-HZPDHXFCSA-N 2 2 346.450 2.371 10 0 EEAELP CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1c(C)nsc1C ZINC001481141739 1179909688 /nfs/dbraw/zinc/90/96/88/1179909688.db2.gz FHJPHERIGDLVHL-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1c(C)nsc1C ZINC001481141739 1179909694 /nfs/dbraw/zinc/90/96/94/1179909694.db2.gz FHJPHERIGDLVHL-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001267770720 1180472010 /nfs/dbraw/zinc/47/20/10/1180472010.db2.gz QGHCZAVXQMGEOY-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001267770720 1180472014 /nfs/dbraw/zinc/47/20/14/1180472014.db2.gz QGHCZAVXQMGEOY-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001481412119 1181253449 /nfs/dbraw/zinc/25/34/49/1181253449.db2.gz PTUAGNUIVCQLNL-GOSISDBHSA-N 2 2 348.466 2.129 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001481412119 1181253455 /nfs/dbraw/zinc/25/34/55/1181253455.db2.gz PTUAGNUIVCQLNL-GOSISDBHSA-N 2 2 348.466 2.129 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001481489378 1181550541 /nfs/dbraw/zinc/55/05/41/1181550541.db2.gz QGNNQDCLWKLZHG-MRXNPFEDSA-N 2 2 331.460 2.213 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001481489378 1181550550 /nfs/dbraw/zinc/55/05/50/1181550550.db2.gz QGNNQDCLWKLZHG-MRXNPFEDSA-N 2 2 331.460 2.213 10 0 EEAELP COCCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cccc2[nH+]ccn21 ZINC001268280937 1182147922 /nfs/dbraw/zinc/14/79/22/1182147922.db2.gz OLLKCCHGXLEAJY-JKSUJKDBSA-N 2 2 344.459 2.249 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001481671316 1182180999 /nfs/dbraw/zinc/18/09/99/1182180999.db2.gz MVKLWWSJAKKKBI-ROUUACIJSA-N 2 2 344.503 2.483 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)sn1 ZINC001268405561 1182520057 /nfs/dbraw/zinc/52/00/57/1182520057.db2.gz JKINRLQVTWXKKL-TZMCWYRMSA-N 2 2 335.477 2.284 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cs1 ZINC001268408098 1182531618 /nfs/dbraw/zinc/53/16/18/1182531618.db2.gz XLTWVQLWPWMSTR-STQMWFEESA-N 2 2 335.477 2.284 10 0 EEAELP C[C@@](C[NH2+]CCC1CC1)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001481933605 1182983255 /nfs/dbraw/zinc/98/32/55/1182983255.db2.gz MNOGXSYXNQXSNH-KXBFYZLASA-N 2 2 330.476 2.120 10 0 EEAELP CCN(CC[NH2+]CCc1ccc(C)cc1)C(=O)Cc1[nH]c[nH+]c1C ZINC001268494406 1183001746 /nfs/dbraw/zinc/00/17/46/1183001746.db2.gz VMFQUKMPDAPKPF-UHFFFAOYSA-N 2 2 328.460 2.250 10 0 EEAELP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)Cc2c[nH]c[nH+]2)C2CC2)c(C)n1 ZINC001481942748 1183004006 /nfs/dbraw/zinc/00/40/06/1183004006.db2.gz SEBJPECVZLRPCW-IBGZPJMESA-N 2 2 341.459 2.039 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001481981830 1183077075 /nfs/dbraw/zinc/07/70/75/1183077075.db2.gz ZSRZUDWUGRINSE-MSOLQXFVSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)c1cnccn1 ZINC001268801962 1183717845 /nfs/dbraw/zinc/71/78/45/1183717845.db2.gz MBNYUZGRIBGYLP-ZDUSSCGKSA-N 2 2 338.415 2.166 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001269893879 1184698764 /nfs/dbraw/zinc/69/87/64/1184698764.db2.gz WQAMSOOEZSGZMN-LBPRGKRZSA-N 2 2 336.307 2.053 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001269893879 1184698766 /nfs/dbraw/zinc/69/87/66/1184698766.db2.gz WQAMSOOEZSGZMN-LBPRGKRZSA-N 2 2 336.307 2.053 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001270613318 1185204012 /nfs/dbraw/zinc/20/40/12/1185204012.db2.gz ZHBGBEZKHCGXAO-AEFFLSMTSA-N 2 2 340.471 2.345 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001482334611 1185425063 /nfs/dbraw/zinc/42/50/63/1185425063.db2.gz WPPJJDFLAKBOEP-KBAYOESNSA-N 2 2 340.471 2.203 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001691529968 1187003149 /nfs/dbraw/zinc/00/31/49/1187003149.db2.gz IXNRIBHXQCXJOH-QAQDUYKDSA-N 2 2 326.444 2.069 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]Cc3ccns3)ccn12 ZINC001272781122 1193495717 /nfs/dbraw/zinc/49/57/17/1193495717.db2.gz FPMBYBRQWSBZLF-GFCCVEGCSA-N 2 2 343.456 2.397 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001483066029 1188394759 /nfs/dbraw/zinc/39/47/59/1188394759.db2.gz ZADYRWVIJAINHM-OWOJBTEDSA-N 2 2 334.370 2.352 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483142280 1188729715 /nfs/dbraw/zinc/72/97/15/1188729715.db2.gz PXXAYFDGRIDGKV-ODEKCMFZSA-N 2 2 338.455 2.253 10 0 EEAELP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001483158354 1188971385 /nfs/dbraw/zinc/97/13/85/1188971385.db2.gz KULUBJWIMTYRJZ-NVXWUHKLSA-N 2 2 339.524 2.160 10 0 EEAELP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001483158354 1188971387 /nfs/dbraw/zinc/97/13/87/1188971387.db2.gz KULUBJWIMTYRJZ-NVXWUHKLSA-N 2 2 339.524 2.160 10 0 EEAELP CN(CC[NH2+]CC[C@@H]1CCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001691633461 1189381310 /nfs/dbraw/zinc/38/13/10/1189381310.db2.gz BHLHAZZANAZMBP-KRWDZBQOSA-N 2 2 326.444 2.051 10 0 EEAELP C[C@@H]([NH2+]Cc1ncc(C2CC2)o1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001409371789 1189592828 /nfs/dbraw/zinc/59/28/28/1189592828.db2.gz KOYAWUYSOBRMCA-KGLIPLIRSA-N 2 2 346.475 2.163 10 0 EEAELP CC(C)COCC[NH2+][C@H](C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485892152 1193631760 /nfs/dbraw/zinc/63/17/60/1193631760.db2.gz MYSPVGHBFRWPSQ-CQSZACIVSA-N 2 2 332.448 2.286 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCCC1CCC1 ZINC001409592314 1190088117 /nfs/dbraw/zinc/08/81/17/1190088117.db2.gz WVXNJSYJQJCWPL-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCCC1CCC1 ZINC001409592314 1190088122 /nfs/dbraw/zinc/08/81/22/1190088122.db2.gz WVXNJSYJQJCWPL-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001483601802 1190582768 /nfs/dbraw/zinc/58/27/68/1190582768.db2.gz LKSGEIPJTOUJHU-MRXNPFEDSA-N 2 2 332.473 2.099 10 0 EEAELP Cc1cc(C[NH+]2CC[C@@H]2CNC(=O)C[N@@H+](C)CC(C)(C)C)sn1 ZINC001483681000 1190742454 /nfs/dbraw/zinc/74/24/54/1190742454.db2.gz JTSGLROGXSXTRQ-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1cc(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+](C)CC(C)(C)C)sn1 ZINC001483681000 1190742456 /nfs/dbraw/zinc/74/24/56/1190742456.db2.gz JTSGLROGXSXTRQ-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+](C)CC(C)(C)C)sn1 ZINC001483681000 1190742458 /nfs/dbraw/zinc/74/24/58/1190742458.db2.gz JTSGLROGXSXTRQ-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+](C)CC(C)(C)C)sn1 ZINC001483681000 1190742460 /nfs/dbraw/zinc/74/24/60/1190742460.db2.gz JTSGLROGXSXTRQ-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](NC(=O)CCn2cc[nH+]c2)C2CCCC2)o1 ZINC001484004515 1191149177 /nfs/dbraw/zinc/14/91/77/1191149177.db2.gz AIGINQCFUODRTG-QGZVFWFLSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](Cc2ccccc2)C1 ZINC001484172722 1191252315 /nfs/dbraw/zinc/25/23/15/1191252315.db2.gz AIEQWVMIDCHELX-IBGZPJMESA-N 2 2 326.444 2.302 10 0 EEAELP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](Cc2ccccc2)C1 ZINC001484172722 1191252317 /nfs/dbraw/zinc/25/23/17/1191252317.db2.gz AIEQWVMIDCHELX-IBGZPJMESA-N 2 2 326.444 2.302 10 0 EEAELP CC1CC(C[N@@H+]2CCC(F)(F)[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001484194892 1191267004 /nfs/dbraw/zinc/26/70/04/1191267004.db2.gz AUMCJMAAEYZTQR-RUXDESIVSA-N 2 2 340.418 2.072 10 0 EEAELP CC1CC(C[N@H+]2CCC(F)(F)[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001484194892 1191267006 /nfs/dbraw/zinc/26/70/06/1191267006.db2.gz AUMCJMAAEYZTQR-RUXDESIVSA-N 2 2 340.418 2.072 10 0 EEAELP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001484398621 1191331099 /nfs/dbraw/zinc/33/10/99/1191331099.db2.gz GATZOMNETITTFE-QGZVFWFLSA-N 2 2 326.444 2.084 10 0 EEAELP CCC1([NH2+]CCC(F)(F)F)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001484817171 1191538562 /nfs/dbraw/zinc/53/85/62/1191538562.db2.gz YOPVEPXJTRPRTA-UHFFFAOYSA-N 2 2 332.370 2.265 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCOCC1CCC1 ZINC001484983935 1191601794 /nfs/dbraw/zinc/60/17/94/1191601794.db2.gz XPFCBYXQJNGDMX-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCOCC1CCC1 ZINC001484983935 1191601795 /nfs/dbraw/zinc/60/17/95/1191601795.db2.gz XPFCBYXQJNGDMX-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCOCC1CCC1 ZINC001484983935 1191601796 /nfs/dbraw/zinc/60/17/96/1191601796.db2.gz XPFCBYXQJNGDMX-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCOCC1CCC1 ZINC001484983935 1191601797 /nfs/dbraw/zinc/60/17/97/1191601797.db2.gz XPFCBYXQJNGDMX-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP C[N@H+](CCCF)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485055146 1191628666 /nfs/dbraw/zinc/62/86/66/1191628666.db2.gz IXIPIFTZYVOVGT-INIZCTEOSA-N 2 2 336.455 2.044 10 0 EEAELP C[N@@H+](CCCF)C[C@@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485055146 1191628668 /nfs/dbraw/zinc/62/86/68/1191628668.db2.gz IXIPIFTZYVOVGT-INIZCTEOSA-N 2 2 336.455 2.044 10 0 EEAELP Cc1nocc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485161308 1191674681 /nfs/dbraw/zinc/67/46/81/1191674681.db2.gz BPPFNJUVUYZDGQ-QWRGUYRKSA-N 2 2 327.388 2.156 10 0 EEAELP C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485235298 1191701048 /nfs/dbraw/zinc/70/10/48/1191701048.db2.gz UZRVDTCYZWJSEK-OLZOCXBDSA-N 2 2 349.504 2.320 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1C1CC1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485235454 1191701455 /nfs/dbraw/zinc/70/14/55/1191701455.db2.gz XIRXFUIDRNZHNU-CABCVRRESA-N 2 2 326.444 2.444 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@H+](C)CC1=CCCCC1 ZINC001485321471 1191734327 /nfs/dbraw/zinc/73/43/27/1191734327.db2.gz WXZIMCJTIDUERP-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CC1=CCCCC1 ZINC001485321471 1191734329 /nfs/dbraw/zinc/73/43/29/1191734329.db2.gz WXZIMCJTIDUERP-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001486449438 1193963873 /nfs/dbraw/zinc/96/38/73/1193963873.db2.gz XKPJYFIKZFAHGO-INIZCTEOSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)oc1C ZINC001486477488 1193992003 /nfs/dbraw/zinc/99/20/03/1193992003.db2.gz QGEQPRZUJWIXGK-JQRITLKVSA-N 2 2 345.447 2.218 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001273140700 1196774306 /nfs/dbraw/zinc/77/43/06/1196774306.db2.gz PFWFDNMEWOMLJB-JQWIXIFHSA-N 2 2 347.290 2.329 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C/Cl)C(=O)CCc1c[nH+]cn1C ZINC001733142147 1197534986 /nfs/dbraw/zinc/53/49/86/1197534986.db2.gz ULSJQUXPGOFBRN-WQLSENKSSA-N 2 2 333.263 2.110 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001410189037 1197594058 /nfs/dbraw/zinc/59/40/58/1197594058.db2.gz JXHFISGAUPVMTJ-FGTMMUONSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001410189037 1197594062 /nfs/dbraw/zinc/59/40/62/1197594062.db2.gz JXHFISGAUPVMTJ-FGTMMUONSA-N 2 2 344.503 2.370 10 0 EEAELP Cc1ncsc1C[NH2+][C@H](CCNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001410271507 1197653015 /nfs/dbraw/zinc/65/30/15/1197653015.db2.gz YXIJAASSBXEDTK-CQSZACIVSA-N 2 2 335.477 2.038 10 0 EEAELP CC1(C)[C@H]([NH3+])C[C@@H]1c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000871783264 1197900565 /nfs/dbraw/zinc/90/05/65/1197900565.db2.gz PIUHHJKHBXGLSC-HZPDHXFCSA-N 2 2 342.443 2.410 10 0 EEAELP O=c1[nH]ccc2oc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc21 ZINC000865496406 1198247337 /nfs/dbraw/zinc/24/73/37/1198247337.db2.gz VSAYPVZTTVLFMX-JKSUJKDBSA-N 2 2 331.416 2.001 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001410855232 1198506225 /nfs/dbraw/zinc/50/62/25/1198506225.db2.gz PWOMCRCJYLOUMD-CABCVRRESA-N 2 2 336.480 2.217 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)o1 ZINC001410855232 1198506229 /nfs/dbraw/zinc/50/62/29/1198506229.db2.gz PWOMCRCJYLOUMD-CABCVRRESA-N 2 2 336.480 2.217 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)o1 ZINC001411115333 1198811335 /nfs/dbraw/zinc/81/13/35/1198811335.db2.gz WLRMEJVCULJYFC-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)o1 ZINC001411115333 1198811339 /nfs/dbraw/zinc/81/13/39/1198811339.db2.gz WLRMEJVCULJYFC-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1ccncc1C[N@@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001411197164 1198898251 /nfs/dbraw/zinc/89/82/51/1198898251.db2.gz RSLSPYIZOLKWTM-UHFFFAOYSA-N 2 2 343.475 2.035 10 0 EEAELP Cc1ccncc1C[N@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001411197164 1198898256 /nfs/dbraw/zinc/89/82/56/1198898256.db2.gz RSLSPYIZOLKWTM-UHFFFAOYSA-N 2 2 343.475 2.035 10 0 EEAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c(C)c1 ZINC000866411351 1201510417 /nfs/dbraw/zinc/51/04/17/1201510417.db2.gz KBIZICSEKNDZEC-IRXDYDNUSA-N 2 2 347.503 2.455 10 0 EEAELP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c(C)c1 ZINC000866411351 1201510421 /nfs/dbraw/zinc/51/04/21/1201510421.db2.gz KBIZICSEKNDZEC-IRXDYDNUSA-N 2 2 347.503 2.455 10 0 EEAELP Fc1ccc([C@H](C[NH2+][C@H]2CC[NH2+]C23CCCC3)N2CCOCC2)cc1 ZINC000925503623 1206120349 /nfs/dbraw/zinc/12/03/49/1206120349.db2.gz IZHRIELDQWDTIY-OALUTQOASA-N 2 2 347.478 2.463 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc(-c3ccccc3F)on2)CC1 ZINC000926105241 1206192478 /nfs/dbraw/zinc/19/24/78/1206192478.db2.gz LKPJZMVOESELCX-UHFFFAOYSA-N 2 2 347.394 2.025 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)n1cc[nH+]c1 ZINC000928083233 1206336356 /nfs/dbraw/zinc/33/63/56/1206336356.db2.gz ZJWNFJXAMCIESB-XHSDSOJGSA-N 2 2 336.505 2.166 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)n1cc[nH+]c1 ZINC000928083233 1206336357 /nfs/dbraw/zinc/33/63/57/1206336357.db2.gz ZJWNFJXAMCIESB-XHSDSOJGSA-N 2 2 336.505 2.166 10 0 EEAELP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc3cc[nH]c3c1)CC2 ZINC000930171993 1206539095 /nfs/dbraw/zinc/53/90/95/1206539095.db2.gz YIXUVKQWWKEXDO-QGZVFWFLSA-N 2 2 343.471 2.468 10 0 EEAELP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc3cc[nH]c3c1)CC2 ZINC000930171993 1206539096 /nfs/dbraw/zinc/53/90/96/1206539096.db2.gz YIXUVKQWWKEXDO-QGZVFWFLSA-N 2 2 343.471 2.468 10 0 EEAELP COc1ccc2c(c1)C[C@@H](C[N@@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)O2 ZINC000930319583 1206549178 /nfs/dbraw/zinc/54/91/78/1206549178.db2.gz NBPRHEGNGPYTTL-HKUYNNGSSA-N 2 2 346.471 2.185 10 0 EEAELP COc1ccc2c(c1)C[C@@H](C[N@H+]1CCC[C@H]([NH+]3CCOCC3)CC1)O2 ZINC000930319583 1206549179 /nfs/dbraw/zinc/54/91/79/1206549179.db2.gz NBPRHEGNGPYTTL-HKUYNNGSSA-N 2 2 346.471 2.185 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+]2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931310147 1206623558 /nfs/dbraw/zinc/62/35/58/1206623558.db2.gz IMYOICNYVODOSX-VDGAXYAQSA-N 2 2 343.471 2.074 10 0 EEAELP C/C(=C\C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)C[NH+]1CCOCC1 ZINC000900428455 1234346352 /nfs/dbraw/zinc/34/63/52/1234346352.db2.gz GSYBWYHJSOGRHB-URMHEIPPSA-N 2 2 349.519 2.129 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902895029 1238946961 /nfs/dbraw/zinc/94/69/61/1238946961.db2.gz RTZSQBPRISODEM-JCGIZDLHSA-N 2 2 342.443 2.159 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902952590 1239178613 /nfs/dbraw/zinc/17/86/13/1239178613.db2.gz YMLIQCVLGAFVRR-YOEHRIQHSA-N 2 2 333.457 2.490 10 0 EEAELP CN1C[C@H](CC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC000903210603 1240018465 /nfs/dbraw/zinc/01/84/65/1240018465.db2.gz MAKQNGVWZAHGKU-QZTJIDSGSA-N 2 2 329.488 2.498 10 0 EEAELP CN1C[C@H](CC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1=O ZINC000903210603 1240018475 /nfs/dbraw/zinc/01/84/75/1240018475.db2.gz MAKQNGVWZAHGKU-QZTJIDSGSA-N 2 2 329.488 2.498 10 0 EEAELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000903529922 1240818932 /nfs/dbraw/zinc/81/89/32/1240818932.db2.gz DLKDNVHDUMNHTC-HNNXBMFYSA-N 2 2 329.444 2.137 10 0 EEAELP C[NH2+]C[C@@H]1CCCC[N@H+]1CCCCN1C(=O)c2ccccc2C1=O ZINC000903529922 1240818939 /nfs/dbraw/zinc/81/89/39/1240818939.db2.gz DLKDNVHDUMNHTC-HNNXBMFYSA-N 2 2 329.444 2.137 10 0 EEAELP c1[nH]nc(-c2ccccc2)c1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974571 1242810949 /nfs/dbraw/zinc/81/09/49/1242810949.db2.gz QTLQUFGUAMLVGU-KRWDZBQOSA-N 2 2 326.444 2.325 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001491029523 1258586285 /nfs/dbraw/zinc/58/62/85/1258586285.db2.gz CRMIIUPNFAMTPK-CALCHBBNSA-N 2 2 331.460 2.450 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CCCOC(C)C ZINC001491274350 1258871646 /nfs/dbraw/zinc/87/16/46/1258871646.db2.gz QJWPXOUBUJXECH-INIZCTEOSA-N 2 2 336.480 2.046 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CC1CC(C)(C)C1 ZINC001491463094 1259114880 /nfs/dbraw/zinc/11/48/80/1259114880.db2.gz MESQBYJEIZSNFE-DYVFJYSZSA-N 2 2 347.507 2.321 10 0 EEAELP C[C@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CC1CC(C)(C)C1 ZINC001491463094 1259114885 /nfs/dbraw/zinc/11/48/85/1259114885.db2.gz MESQBYJEIZSNFE-DYVFJYSZSA-N 2 2 347.507 2.321 10 0 EEAELP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n(C)n1 ZINC000850554375 1277265798 /nfs/dbraw/zinc/26/57/98/1277265798.db2.gz CUTLYCMIPAJZOX-QRFRQXIXSA-N 2 2 346.519 2.283 10 0 EEAELP CC[C@H](C)C[NH2+][C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001490666435 1291548734 /nfs/dbraw/zinc/54/87/34/1291548734.db2.gz DCRVUYACQFZZAS-YOEHRIQHSA-N 2 2 332.492 2.292 10 0 EEAELP O=C(NC[C@H]([NH2+]CCOC1CCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001490686426 1291618878 /nfs/dbraw/zinc/61/88/78/1291618878.db2.gz GZPCSLWOGCDLBB-INIZCTEOSA-N 2 2 342.443 2.001 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001277703106 1304221493 /nfs/dbraw/zinc/22/14/93/1304221493.db2.gz RXTUQSYICXRIOM-BRWVUGGUSA-N 2 2 330.476 2.150 10 0 EEAELP CCOCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001278392092 1310007954 /nfs/dbraw/zinc/00/79/54/1310007954.db2.gz RWOWOVAHRUIGKQ-WBVHZDCISA-N 2 2 342.443 2.101 10 0 EEAELP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1)[NH+](C)C ZINC001276432688 1322005958 /nfs/dbraw/zinc/00/59/58/1322005958.db2.gz OMFUKOBGIRNANE-WFASDCNBSA-N 2 2 338.883 2.012 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCCCC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC001263822751 1322528168 /nfs/dbraw/zinc/52/81/68/1322528168.db2.gz BGXJMGVZPLYVRV-CYBMUJFWSA-N 2 2 332.370 2.148 10 0 EEAELP 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CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001571363271 1343199414 /nfs/dbraw/zinc/19/94/14/1343199414.db2.gz ZJDFEDBQXMXZJS-LLXYOUJPSA-N 2 2 336.867 2.025 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001676958910 1357249380 /nfs/dbraw/zinc/24/93/80/1357249380.db2.gz OZHXHUACSUULKD-QWRGUYRKSA-N 2 2 331.247 2.146 10 0 EEAELP C[C@H](F)CC[NH2+]C[C@H](NC(=O)CCc1[nH+]ccn1C)C(C)(C)C ZINC001677267345 1357304810 /nfs/dbraw/zinc/30/48/10/1357304810.db2.gz UHTIXFPIBFRJMH-KBPBESRZSA-N 2 2 326.460 2.221 10 0 EEAELP CCNc1cc(CNC(=O)N(C)CCCn2cc[nH+]c2C)cc[nH+]1 ZINC001646949771 1353067044 /nfs/dbraw/zinc/06/70/44/1353067044.db2.gz MMSWJYURRURUNM-UHFFFAOYSA-N 2 2 330.436 2.250 10 0 EEAELP CCNc1cc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC001650536203 1353978493 /nfs/dbraw/zinc/97/84/93/1353978493.db2.gz NWYBISMVSZAJOM-CABCVRRESA-N 2 2 333.480 2.433 10 0 EEAELP CCNc1cc(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc[nH+]1 ZINC001650536203 1353978495 /nfs/dbraw/zinc/97/84/95/1353978495.db2.gz NWYBISMVSZAJOM-CABCVRRESA-N 2 2 333.480 2.433 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001656551252 1354247401 /nfs/dbraw/zinc/24/74/01/1354247401.db2.gz RWKACMSOBFNIGP-ILTWDMSYSA-N 2 2 336.867 2.482 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[C@H](C[NH2+]C/C=C/Cl)C1 ZINC001656551252 1354247404 /nfs/dbraw/zinc/24/74/04/1354247404.db2.gz RWKACMSOBFNIGP-ILTWDMSYSA-N 2 2 336.867 2.482 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001662314799 1354779400 /nfs/dbraw/zinc/77/94/00/1354779400.db2.gz OUSUJOADEDSMCN-LPHOPBHVSA-N 2 2 349.519 2.225 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001662314799 1354779402 /nfs/dbraw/zinc/77/94/02/1354779402.db2.gz OUSUJOADEDSMCN-LPHOPBHVSA-N 2 2 349.519 2.225 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309074 1355135787 /nfs/dbraw/zinc/13/57/87/1355135787.db2.gz DWSAOQKNAQYFHB-HZPDHXFCSA-N 2 2 348.491 2.220 10 0 EEAELP C[C@](C[NH2+]CCC1CC1)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001666005792 1355424388 /nfs/dbraw/zinc/42/43/88/1355424388.db2.gz VGBUOVYLLKSOKQ-HNAYVOBHSA-N 2 2 330.476 2.120 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001666120486 1355458048 /nfs/dbraw/zinc/45/80/48/1355458048.db2.gz VLGCYVKQIDBAKH-ROUUACIJSA-N 2 2 344.503 2.464 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001666120484 1355458128 /nfs/dbraw/zinc/45/81/28/1355458128.db2.gz VLGCYVKQIDBAKH-MSOLQXFVSA-N 2 2 344.503 2.464 10 0 EEAELP CCOCC[NH2+]CC[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001666124972 1355459593 /nfs/dbraw/zinc/45/95/93/1355459593.db2.gz KCUCJBXAJOVIJG-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]Cc2ccsc2)C1 ZINC001666173249 1355475583 /nfs/dbraw/zinc/47/55/83/1355475583.db2.gz QTWIFXSWKPBSRY-HNNXBMFYSA-N 2 2 332.473 2.363 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001667687405 1355784829 /nfs/dbraw/zinc/78/48/29/1355784829.db2.gz NMVODYDYTNNESE-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001667687405 1355784834 /nfs/dbraw/zinc/78/48/34/1355784834.db2.gz NMVODYDYTNNESE-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001667687405 1355784839 /nfs/dbraw/zinc/78/48/39/1355784839.db2.gz NMVODYDYTNNESE-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001667687405 1355784844 /nfs/dbraw/zinc/78/48/44/1355784844.db2.gz NMVODYDYTNNESE-FUHWJXTLSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)n1 ZINC001668096791 1355870154 /nfs/dbraw/zinc/87/01/54/1355870154.db2.gz NMNDRCROUXHWOU-KBRIMQKVSA-N 2 2 341.459 2.210 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)n1 ZINC001668096791 1355870156 /nfs/dbraw/zinc/87/01/56/1355870156.db2.gz NMNDRCROUXHWOU-KBRIMQKVSA-N 2 2 341.459 2.210 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)c1cccc2[nH+]ccn21 ZINC001668137027 1355881995 /nfs/dbraw/zinc/88/19/95/1355881995.db2.gz DXMRFUDCYRKBGH-ZDUSSCGKSA-N 2 2 341.390 2.167 10 0 EEAELP COCCC[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001672816698 1356591696 /nfs/dbraw/zinc/59/16/96/1356591696.db2.gz UTIZBQDWEZAABE-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP CC(C)(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001674558375 1356858007 /nfs/dbraw/zinc/85/80/07/1356858007.db2.gz LJPWGTZDBASGGT-PCKAHOCUSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CCC[NH2+]C/C=C/Cl)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001675904560 1357066779 /nfs/dbraw/zinc/06/67/79/1357066779.db2.gz VPIRFGLEGMJBIY-LHRNQBEKSA-N 2 2 338.883 2.389 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001699035116 1405243469 /nfs/dbraw/zinc/24/34/69/1405243469.db2.gz UZUYJBMZSQODRK-YOEHRIQHSA-N 2 2 346.500 2.141 10 0 EEAELP C[C@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699368634 1405343353 /nfs/dbraw/zinc/34/33/53/1405343353.db2.gz HFWZJDJYPVVFNB-OLZOCXBDSA-N 2 2 346.397 2.272 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+]1CCCC1 ZINC000911566580 787543228 /nfs/dbraw/zinc/54/32/28/787543228.db2.gz FMSDNSZDTXMDEJ-UYAOXDASSA-N 2 2 338.455 2.231 10 0 EEAELP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373841 789032784 /nfs/dbraw/zinc/03/27/84/789032784.db2.gz RTVFTTBJZVZSFX-MSOLQXFVSA-N 2 2 338.879 2.080 10 0 EEAELP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373841 789032796 /nfs/dbraw/zinc/03/27/96/789032796.db2.gz RTVFTTBJZVZSFX-MSOLQXFVSA-N 2 2 338.879 2.080 10 0 EEAELP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373842 789033840 /nfs/dbraw/zinc/03/38/40/789033840.db2.gz RTVFTTBJZVZSFX-QZTJIDSGSA-N 2 2 338.879 2.080 10 0 EEAELP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373842 789033851 /nfs/dbraw/zinc/03/38/51/789033851.db2.gz RTVFTTBJZVZSFX-QZTJIDSGSA-N 2 2 338.879 2.080 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000923397155 789493916 /nfs/dbraw/zinc/49/39/16/789493916.db2.gz ALVOPQXPYKAYKZ-ZIAGYGMSSA-N 2 2 325.250 2.357 10 0 EEAELP [NH3+][C@@]1(CO)CCC[N@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000923477676 789630744 /nfs/dbraw/zinc/63/07/44/789630744.db2.gz VOVLRSCNQBASGZ-HNNXBMFYSA-N 2 2 332.366 2.260 10 0 EEAELP [NH3+][C@@]1(CO)CCC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000923477676 789630749 /nfs/dbraw/zinc/63/07/49/789630749.db2.gz VOVLRSCNQBASGZ-HNNXBMFYSA-N 2 2 332.366 2.260 10 0 EEAELP Cc1cnc(Cl)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000921654235 792719515 /nfs/dbraw/zinc/71/95/15/792719515.db2.gz WWOPBWORAGFUHQ-HNNXBMFYSA-N 2 2 338.883 2.076 10 0 EEAELP Cc1cnc(Cl)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000921654235 792719522 /nfs/dbraw/zinc/71/95/22/792719522.db2.gz WWOPBWORAGFUHQ-HNNXBMFYSA-N 2 2 338.883 2.076 10 0 EEAELP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000712986773 794533646 /nfs/dbraw/zinc/53/36/46/794533646.db2.gz ANVFOEXYFHAWAF-QZTJIDSGSA-N 2 2 347.503 2.013 10 0 EEAELP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000712986773 794533651 /nfs/dbraw/zinc/53/36/51/794533651.db2.gz ANVFOEXYFHAWAF-QZTJIDSGSA-N 2 2 347.503 2.013 10 0 EEAELP CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716639136 796397932 /nfs/dbraw/zinc/39/79/32/796397932.db2.gz SBXQRRZWEFVWEG-BZSNNMDCSA-N 2 2 336.501 2.064 10 0 EEAELP CCS(=O)(=O)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716639136 796397935 /nfs/dbraw/zinc/39/79/35/796397935.db2.gz SBXQRRZWEFVWEG-BZSNNMDCSA-N 2 2 336.501 2.064 10 0 EEAELP C[NH+](C)[C@]1(C(=O)Nc2ccc3c[nH+]cn3c2)COc2ccccc2C1 ZINC001179310230 799859454 /nfs/dbraw/zinc/85/94/54/799859454.db2.gz RLOXAWXJUXOPHU-IBGZPJMESA-N 2 2 336.395 2.208 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CCC[NH2+]Cc1ccon1 ZINC001565987961 1125485212 /nfs/dbraw/zinc/48/52/12/1125485212.db2.gz MBPUGQMSNDSJAH-NVXWUHKLSA-N 2 2 345.447 2.068 10 0 EEAELP CC(C)OCCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001566075293 1125547308 /nfs/dbraw/zinc/54/73/08/1125547308.db2.gz RHJBGYIZIYHXNL-MRXNPFEDSA-N 2 2 336.480 2.128 10 0 EEAELP CC1CC(C[N@H+](CCCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C2CC2)C1 ZINC001566590722 1125780693 /nfs/dbraw/zinc/78/06/93/1125780693.db2.gz UOHGNYZJLFOEPV-OFLPRAFFSA-N 2 2 344.503 2.462 10 0 EEAELP CC1CC(C[N@@H+](CCCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C2CC2)C1 ZINC001566590722 1125780700 /nfs/dbraw/zinc/78/07/00/1125780700.db2.gz UOHGNYZJLFOEPV-OFLPRAFFSA-N 2 2 344.503 2.462 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001436493065 1087994769 /nfs/dbraw/zinc/99/47/69/1087994769.db2.gz OASRZFCQUCFHPI-CVEARBPZSA-N 2 2 338.471 2.414 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001436493065 1087994777 /nfs/dbraw/zinc/99/47/77/1087994777.db2.gz OASRZFCQUCFHPI-CVEARBPZSA-N 2 2 338.471 2.414 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001436501515 1088030434 /nfs/dbraw/zinc/03/04/34/1088030434.db2.gz SYMCHIVUYYSSSM-GVDBMIGSSA-N 2 2 348.491 2.251 10 0 EEAELP CC(C)OCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001436501515 1088030448 /nfs/dbraw/zinc/03/04/48/1088030448.db2.gz SYMCHIVUYYSSSM-GVDBMIGSSA-N 2 2 348.491 2.251 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001436501515 1088030463 /nfs/dbraw/zinc/03/04/63/1088030463.db2.gz SYMCHIVUYYSSSM-GVDBMIGSSA-N 2 2 348.491 2.251 10 0 EEAELP CC(C)OCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001436501515 1088030477 /nfs/dbraw/zinc/03/04/77/1088030477.db2.gz SYMCHIVUYYSSSM-GVDBMIGSSA-N 2 2 348.491 2.251 10 0 EEAELP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001436802267 1088382103 /nfs/dbraw/zinc/38/21/03/1088382103.db2.gz YHLPDKAKWWPKJP-WMZOPIPTSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ncc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)o1 ZINC001437482403 1089837428 /nfs/dbraw/zinc/83/74/28/1089837428.db2.gz JOYKNHCWCNNBLK-UHFFFAOYSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)o1 ZINC001437482403 1089837446 /nfs/dbraw/zinc/83/74/46/1089837446.db2.gz JOYKNHCWCNNBLK-UHFFFAOYSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncc(C[NH+](C)CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)o1 ZINC001437482403 1089837471 /nfs/dbraw/zinc/83/74/71/1089837471.db2.gz JOYKNHCWCNNBLK-UHFFFAOYSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncc(C[NH+](C)CCNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)o1 ZINC001437482403 1089837486 /nfs/dbraw/zinc/83/74/86/1089837486.db2.gz JOYKNHCWCNNBLK-UHFFFAOYSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001437683427 1090219943 /nfs/dbraw/zinc/21/99/43/1090219943.db2.gz UQRIEYXYBYJNIY-QAPCUYQASA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001437683427 1090219944 /nfs/dbraw/zinc/21/99/44/1090219944.db2.gz UQRIEYXYBYJNIY-QAPCUYQASA-N 2 2 341.459 2.318 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001437729118 1090285401 /nfs/dbraw/zinc/28/54/01/1090285401.db2.gz JIFYNQGRNDVFKT-HUUCEWRRSA-N 2 2 345.447 2.023 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001437729118 1090285408 /nfs/dbraw/zinc/28/54/08/1090285408.db2.gz JIFYNQGRNDVFKT-HUUCEWRRSA-N 2 2 345.447 2.023 10 0 EEAELP CC(C)(C)CC[N@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001437786823 1090373359 /nfs/dbraw/zinc/37/33/59/1090373359.db2.gz RXEOFMSMCRIDHE-OAHLLOKOSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)(C)CC[N@@H+](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001437786823 1090373365 /nfs/dbraw/zinc/37/33/65/1090373365.db2.gz RXEOFMSMCRIDHE-OAHLLOKOSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)c1ccc(C[NH+]2CC(CNC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001438161788 1090675163 /nfs/dbraw/zinc/67/51/63/1090675163.db2.gz PWGGLXZQJAKQLR-UHFFFAOYSA-N 2 2 340.471 2.334 10 0 EEAELP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@H](OC)C1CCC1 ZINC001438343575 1090820388 /nfs/dbraw/zinc/82/03/88/1090820388.db2.gz NUIRSQYIWJJHEI-QAPCUYQASA-N 2 2 344.459 2.476 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]C[C@H]2CCC(F)(F)C2)CCCC1 ZINC001438395421 1090882449 /nfs/dbraw/zinc/88/24/49/1090882449.db2.gz LUHPUZNPSKGCJM-ZDUSSCGKSA-N 2 2 340.418 2.406 10 0 EEAELP CC[C@H](F)C[NH+]1CCC(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001438452889 1090960849 /nfs/dbraw/zinc/96/08/49/1090960849.db2.gz LNRMWWOXQTWVCG-INIZCTEOSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001445393752 1091139264 /nfs/dbraw/zinc/13/92/64/1091139264.db2.gz GFGDVLOSYHZCFB-CHWSQXEVSA-N 2 2 348.397 2.018 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1coc(C)n1)c1ccccc1 ZINC001445483980 1091264511 /nfs/dbraw/zinc/26/45/11/1091264511.db2.gz XKGZJTJWRWXDHX-KDOFPFPSSA-N 2 2 344.459 2.270 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]Cc1coc(C)n1)c1ccccc1 ZINC001445483980 1091264519 /nfs/dbraw/zinc/26/45/19/1091264519.db2.gz XKGZJTJWRWXDHX-KDOFPFPSSA-N 2 2 344.459 2.270 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001445566762 1091342931 /nfs/dbraw/zinc/34/29/31/1091342931.db2.gz ATWOREMMCPKQIM-STQMWFEESA-N 2 2 348.397 2.018 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)Cc2nc3ccccc3o2)C1 ZINC001438920612 1091585555 /nfs/dbraw/zinc/58/55/55/1091585555.db2.gz XNAOPSXHHLMXSY-OAHLLOKOSA-N 2 2 344.459 2.060 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2nc3ccccc3o2)C1 ZINC001438920612 1091585560 /nfs/dbraw/zinc/58/55/60/1091585560.db2.gz XNAOPSXHHLMXSY-OAHLLOKOSA-N 2 2 344.459 2.060 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2nc3ccccc3o2)C1 ZINC001438920612 1091585569 /nfs/dbraw/zinc/58/55/69/1091585569.db2.gz XNAOPSXHHLMXSY-OAHLLOKOSA-N 2 2 344.459 2.060 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2nc3ccccc3o2)C1 ZINC001438920612 1091585576 /nfs/dbraw/zinc/58/55/76/1091585576.db2.gz XNAOPSXHHLMXSY-OAHLLOKOSA-N 2 2 344.459 2.060 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC(F)(F)F)CC2 ZINC001445820260 1091699749 /nfs/dbraw/zinc/69/97/49/1091699749.db2.gz TZFYUZMQURWAMI-AAEUAGOBSA-N 2 2 346.397 2.143 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC(F)(F)F)CC2 ZINC001445820260 1091699751 /nfs/dbraw/zinc/69/97/51/1091699751.db2.gz TZFYUZMQURWAMI-AAEUAGOBSA-N 2 2 346.397 2.143 10 0 EEAELP CCN(CC[NH2+][C@@H](C)c1cnc(C)cn1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001439078802 1091726473 /nfs/dbraw/zinc/72/64/73/1091726473.db2.gz HKDIQPFEVZPTMB-HOTGVXAUSA-N 2 2 344.463 2.132 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445834953 1091728313 /nfs/dbraw/zinc/72/83/13/1091728313.db2.gz ZDMYVJFLTCRINW-NUEKZKHPSA-N 2 2 344.434 2.299 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445834953 1091728324 /nfs/dbraw/zinc/72/83/24/1091728324.db2.gz ZDMYVJFLTCRINW-NUEKZKHPSA-N 2 2 344.434 2.299 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001439157125 1091799011 /nfs/dbraw/zinc/79/90/11/1091799011.db2.gz OSOUTAYRFHLTKZ-HFBAOOFYSA-N 2 2 348.397 2.096 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439320991 1091995665 /nfs/dbraw/zinc/99/56/65/1091995665.db2.gz AYUBHNACEGXMKC-AWEZNQCLSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439320991 1091995675 /nfs/dbraw/zinc/99/56/75/1091995675.db2.gz AYUBHNACEGXMKC-AWEZNQCLSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1cccc(F)c1 ZINC001446061892 1092075192 /nfs/dbraw/zinc/07/51/92/1092075192.db2.gz NJXZQUSDXYACAN-PBHICJAKSA-N 2 2 330.407 2.282 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1cccc(F)c1 ZINC001446061892 1092075203 /nfs/dbraw/zinc/07/52/03/1092075203.db2.gz NJXZQUSDXYACAN-PBHICJAKSA-N 2 2 330.407 2.282 10 0 EEAELP Cc1conc1C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001446202724 1092283312 /nfs/dbraw/zinc/28/33/12/1092283312.db2.gz DRRIHFUOZVOVEM-UHFFFAOYSA-N 2 2 348.491 2.234 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1 ZINC001439529640 1092383704 /nfs/dbraw/zinc/38/37/04/1092383704.db2.gz ZACDENCRCMICRS-DOTOQJQBSA-N 2 2 341.459 2.182 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1 ZINC001439529640 1092383710 /nfs/dbraw/zinc/38/37/10/1092383710.db2.gz ZACDENCRCMICRS-DOTOQJQBSA-N 2 2 341.459 2.182 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC001439536362 1092396816 /nfs/dbraw/zinc/39/68/16/1092396816.db2.gz KQNFPTUYIVICLG-INIZCTEOSA-N 2 2 332.835 2.236 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(Cl)cc1 ZINC001439536362 1092396826 /nfs/dbraw/zinc/39/68/26/1092396826.db2.gz KQNFPTUYIVICLG-INIZCTEOSA-N 2 2 332.835 2.236 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001439748976 1092706147 /nfs/dbraw/zinc/70/61/47/1092706147.db2.gz MHIFVOIXFYORDL-GOSISDBHSA-N 2 2 333.451 2.297 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001439748976 1092706155 /nfs/dbraw/zinc/70/61/55/1092706155.db2.gz MHIFVOIXFYORDL-GOSISDBHSA-N 2 2 333.451 2.297 10 0 EEAELP CC[C@H](C(=O)N(C)C1C[NH+](CCOC2CCCCCC2)C1)[NH+](C)C ZINC001439753747 1092711850 /nfs/dbraw/zinc/71/18/50/1092711850.db2.gz NWVLBDFMFRQNHF-GOSISDBHSA-N 2 2 339.524 2.209 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C(Cl)=C/Cl ZINC001440190325 1093253292 /nfs/dbraw/zinc/25/32/92/1093253292.db2.gz JDWCCZURVHYSKX-XQPOUDKPSA-N 2 2 334.291 2.322 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C(Cl)=C/Cl ZINC001440190325 1093253299 /nfs/dbraw/zinc/25/32/99/1093253299.db2.gz JDWCCZURVHYSKX-XQPOUDKPSA-N 2 2 334.291 2.322 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001440406991 1093597391 /nfs/dbraw/zinc/59/73/91/1093597391.db2.gz WNZCDLYLYKQMFM-DLBZAZTESA-N 2 2 348.491 2.034 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001440406991 1093597400 /nfs/dbraw/zinc/59/74/00/1093597400.db2.gz WNZCDLYLYKQMFM-DLBZAZTESA-N 2 2 348.491 2.034 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001440416560 1093610666 /nfs/dbraw/zinc/61/06/66/1093610666.db2.gz MFBDHOQBTWNILC-ZWKOTPCHSA-N 2 2 326.444 2.000 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(F)cc(F)c2)[C@@H]1C ZINC001440513512 1093760877 /nfs/dbraw/zinc/76/08/77/1093760877.db2.gz ZGDLBVFYRJHCQZ-DYVFJYSZSA-N 2 2 339.430 2.384 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2cc(F)cc(F)c2)[C@@H]1C ZINC001440513512 1093760880 /nfs/dbraw/zinc/76/08/80/1093760880.db2.gz ZGDLBVFYRJHCQZ-DYVFJYSZSA-N 2 2 339.430 2.384 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)[C@@H]1C ZINC001440513512 1093760882 /nfs/dbraw/zinc/76/08/82/1093760882.db2.gz ZGDLBVFYRJHCQZ-DYVFJYSZSA-N 2 2 339.430 2.384 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)[C@@H]1C ZINC001440513512 1093760888 /nfs/dbraw/zinc/76/08/88/1093760888.db2.gz ZGDLBVFYRJHCQZ-DYVFJYSZSA-N 2 2 339.430 2.384 10 0 EEAELP CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001440537181 1093801043 /nfs/dbraw/zinc/80/10/43/1093801043.db2.gz GYWBMBQBHGTQER-OAHLLOKOSA-N 2 2 338.471 2.462 10 0 EEAELP Cc1nc(C[NH2+]C2(C)CCN(C(=O)CCCn3cc[nH+]c3)CC2)co1 ZINC001440612944 1093878424 /nfs/dbraw/zinc/87/84/24/1093878424.db2.gz IQAUIASDIOPERI-UHFFFAOYSA-N 2 2 345.447 2.131 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cn2)[C@H]1C ZINC001449024791 1094031228 /nfs/dbraw/zinc/03/12/28/1094031228.db2.gz FXSYQYUILSUUSN-YOEHRIQHSA-N 2 2 336.455 2.030 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](Cc2ccc(F)cn2)[C@H]1C ZINC001449024791 1094031235 /nfs/dbraw/zinc/03/12/35/1094031235.db2.gz FXSYQYUILSUUSN-YOEHRIQHSA-N 2 2 336.455 2.030 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@H]1C ZINC001449024791 1094031248 /nfs/dbraw/zinc/03/12/48/1094031248.db2.gz FXSYQYUILSUUSN-YOEHRIQHSA-N 2 2 336.455 2.030 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001440844365 1094101722 /nfs/dbraw/zinc/10/17/22/1094101722.db2.gz AQZLNJVBGJFFFA-MNOVXSKESA-N 2 2 326.853 2.281 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH+]cn2C)s1 ZINC001440846691 1094104263 /nfs/dbraw/zinc/10/42/63/1094104263.db2.gz PTKYQCOFKBFPSX-RYUDHWBXSA-N 2 2 349.504 2.109 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001440855273 1094115264 /nfs/dbraw/zinc/11/52/64/1094115264.db2.gz YYORKQSFVCBJIT-ZIAGYGMSSA-N 2 2 332.423 2.175 10 0 EEAELP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001440877057 1094135868 /nfs/dbraw/zinc/13/58/68/1094135868.db2.gz QNXGZYQKLJDFGR-UHFFFAOYSA-N 2 2 334.508 2.492 10 0 EEAELP Cc1ncccc1C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001441105976 1094413856 /nfs/dbraw/zinc/41/38/56/1094413856.db2.gz KOKBGBIFCUJFOZ-UHFFFAOYSA-N 2 2 341.459 2.195 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001441141248 1094475820 /nfs/dbraw/zinc/47/58/20/1094475820.db2.gz VMGOEEADICUMBZ-MSOLQXFVSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CC[C@@H]1CCCCO1 ZINC001441141248 1094475825 /nfs/dbraw/zinc/47/58/25/1094475825.db2.gz VMGOEEADICUMBZ-MSOLQXFVSA-N 2 2 348.491 2.203 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C1CC1 ZINC001441223077 1094591023 /nfs/dbraw/zinc/59/10/23/1094591023.db2.gz BEQDUOLTRPFVRR-KZNAEPCWSA-N 2 2 338.455 2.208 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001441531783 1095242892 /nfs/dbraw/zinc/24/28/92/1095242892.db2.gz VIIFFXXKVYSFBB-GARJFASQSA-N 2 2 331.247 2.144 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1 ZINC001441531783 1095242905 /nfs/dbraw/zinc/24/29/05/1095242905.db2.gz VIIFFXXKVYSFBB-GARJFASQSA-N 2 2 331.247 2.144 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C/C=C/c1ccc(Cl)cc1 ZINC001442072909 1096285703 /nfs/dbraw/zinc/28/57/03/1096285703.db2.gz QSIBQUGIFWTSGW-HSWBROFVSA-N 2 2 332.835 2.344 10 0 EEAELP Cc1ncccc1C[NH+]1CCC([C@H](C)NC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001442214230 1096505915 /nfs/dbraw/zinc/50/59/15/1096505915.db2.gz DYSVANKGHDHGOD-HNNXBMFYSA-N 2 2 341.459 2.073 10 0 EEAELP C[N@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CC1CCCC1 ZINC001442411579 1096733395 /nfs/dbraw/zinc/73/33/95/1096733395.db2.gz IRQZLHGYQKZPIU-QGZVFWFLSA-N 2 2 333.480 2.028 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)CC1CCCC1 ZINC001442411579 1096733397 /nfs/dbraw/zinc/73/33/97/1096733397.db2.gz IRQZLHGYQKZPIU-QGZVFWFLSA-N 2 2 333.480 2.028 10 0 EEAELP C[NH+](CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)CC1CCCC1 ZINC001442411579 1096733399 /nfs/dbraw/zinc/73/33/99/1096733399.db2.gz IRQZLHGYQKZPIU-QGZVFWFLSA-N 2 2 333.480 2.028 10 0 EEAELP C[NH+](CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)CC1CCCC1 ZINC001442411579 1096733401 /nfs/dbraw/zinc/73/34/01/1096733401.db2.gz IRQZLHGYQKZPIU-QGZVFWFLSA-N 2 2 333.480 2.028 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCC1CCCCC1 ZINC001442457342 1096782703 /nfs/dbraw/zinc/78/27/03/1096782703.db2.gz QDFVBTZRTNSJGF-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CCC1CCCCC1 ZINC001442457342 1096782711 /nfs/dbraw/zinc/78/27/11/1096782711.db2.gz QDFVBTZRTNSJGF-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC001442462687 1096790911 /nfs/dbraw/zinc/79/09/11/1096790911.db2.gz HZXAHCKUOULNSU-UHFFFAOYSA-N 2 2 338.814 2.232 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC001442462687 1096790918 /nfs/dbraw/zinc/79/09/18/1096790918.db2.gz HZXAHCKUOULNSU-UHFFFAOYSA-N 2 2 338.814 2.232 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cn1)[NH+]1CCCC1 ZINC001442807397 1097189056 /nfs/dbraw/zinc/18/90/56/1097189056.db2.gz HCNQYAPNUMPELM-KRWDZBQOSA-N 2 2 348.466 2.176 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)cn1)[NH+]1CCCC1 ZINC001442807397 1097189057 /nfs/dbraw/zinc/18/90/57/1097189057.db2.gz HCNQYAPNUMPELM-KRWDZBQOSA-N 2 2 348.466 2.176 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001442883827 1097278502 /nfs/dbraw/zinc/27/85/02/1097278502.db2.gz OHSDCGDCPOVHBH-HOCLYGCPSA-N 2 2 344.434 2.366 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001442883827 1097278506 /nfs/dbraw/zinc/27/85/06/1097278506.db2.gz OHSDCGDCPOVHBH-HOCLYGCPSA-N 2 2 344.434 2.366 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001442883827 1097278508 /nfs/dbraw/zinc/27/85/08/1097278508.db2.gz OHSDCGDCPOVHBH-HOCLYGCPSA-N 2 2 344.434 2.366 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cc2)C1 ZINC001442883827 1097278513 /nfs/dbraw/zinc/27/85/13/1097278513.db2.gz OHSDCGDCPOVHBH-HOCLYGCPSA-N 2 2 344.434 2.366 10 0 EEAELP O=C(NCC[N@H+](Cc1cncs1)C1CC1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001443020103 1097429329 /nfs/dbraw/zinc/42/93/29/1097429329.db2.gz TXRNMBVKVTXRFI-RDJZCZTQSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[N@@H+](Cc1cncs1)C1CC1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001443020103 1097429332 /nfs/dbraw/zinc/42/93/32/1097429332.db2.gz TXRNMBVKVTXRFI-RDJZCZTQSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001443020103 1097429334 /nfs/dbraw/zinc/42/93/34/1097429334.db2.gz TXRNMBVKVTXRFI-RDJZCZTQSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001443020103 1097429337 /nfs/dbraw/zinc/42/93/37/1097429337.db2.gz TXRNMBVKVTXRFI-RDJZCZTQSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001443026476 1097433018 /nfs/dbraw/zinc/43/30/18/1097433018.db2.gz ACNRBIYHRJNGNH-UHFFFAOYSA-N 2 2 330.476 2.434 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC[N@@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001443026476 1097433019 /nfs/dbraw/zinc/43/30/19/1097433019.db2.gz ACNRBIYHRJNGNH-UHFFFAOYSA-N 2 2 330.476 2.434 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](Cc1cccc(Cl)c1)C1CC1 ZINC001443067384 1097477745 /nfs/dbraw/zinc/47/77/45/1097477745.db2.gz NMOPNSZGUJFXHN-UHFFFAOYSA-N 2 2 332.835 2.317 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](Cc1cccc(Cl)c1)C1CC1 ZINC001443067384 1097477748 /nfs/dbraw/zinc/47/77/48/1097477748.db2.gz NMOPNSZGUJFXHN-UHFFFAOYSA-N 2 2 332.835 2.317 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](CCC2CCOCC2)C1 ZINC001443469574 1097968436 /nfs/dbraw/zinc/96/84/36/1097968436.db2.gz MJMJSYXWAMTVCO-HNNXBMFYSA-N 2 2 348.491 2.014 10 0 EEAELP Cc1cc(C)cc(C[NH+]2CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001443485027 1097981536 /nfs/dbraw/zinc/98/15/36/1097981536.db2.gz ZZZJLOWYHBLHFE-IBGZPJMESA-N 2 2 329.488 2.478 10 0 EEAELP Cc1cc(C)cc(C[NH+]2CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001443485027 1097981544 /nfs/dbraw/zinc/98/15/44/1097981544.db2.gz ZZZJLOWYHBLHFE-IBGZPJMESA-N 2 2 329.488 2.478 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](CCCc2ccccc2)C1 ZINC001443883887 1098410367 /nfs/dbraw/zinc/41/03/67/1098410367.db2.gz VGGKYTLWISUGDC-IBGZPJMESA-N 2 2 340.471 2.439 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](CCCc2ccccc2)C1 ZINC001443883887 1098410373 /nfs/dbraw/zinc/41/03/73/1098410373.db2.gz VGGKYTLWISUGDC-IBGZPJMESA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1cncc(C)c1 ZINC001443944925 1098464639 /nfs/dbraw/zinc/46/46/39/1098464639.db2.gz PEWJLTANXMWXMJ-QGZVFWFLSA-N 2 2 343.475 2.315 10 0 EEAELP CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C)C1CCCC1 ZINC001479709411 1098787070 /nfs/dbraw/zinc/78/70/70/1098787070.db2.gz UKPVWEAOEGAVNW-JLSDUUJJSA-N 2 2 348.491 2.127 10 0 EEAELP CO[C@@H](C[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)[C@H]1C)C1CCCC1 ZINC001479709411 1098787077 /nfs/dbraw/zinc/78/70/77/1098787077.db2.gz UKPVWEAOEGAVNW-JLSDUUJJSA-N 2 2 348.491 2.127 10 0 EEAELP CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C)C1CCCC1 ZINC001479709411 1098787086 /nfs/dbraw/zinc/78/70/86/1098787086.db2.gz UKPVWEAOEGAVNW-JLSDUUJJSA-N 2 2 348.491 2.127 10 0 EEAELP CO[C@@H](C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1C)C1CCCC1 ZINC001479709411 1098787092 /nfs/dbraw/zinc/78/70/92/1098787092.db2.gz UKPVWEAOEGAVNW-JLSDUUJJSA-N 2 2 348.491 2.127 10 0 EEAELP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)Cc2ncc(Cl)s2)CC1 ZINC001479792683 1098998785 /nfs/dbraw/zinc/99/87/85/1098998785.db2.gz YOXGDVAAJSAFEO-UHFFFAOYSA-N 2 2 344.912 2.076 10 0 EEAELP C[NH+](C)CC1(C(=O)NCCC[N@@H+](C)Cc2ncc(Cl)s2)CC1 ZINC001479792683 1098998792 /nfs/dbraw/zinc/99/87/92/1098998792.db2.gz YOXGDVAAJSAFEO-UHFFFAOYSA-N 2 2 344.912 2.076 10 0 EEAELP Cc1ccncc1C[N@@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001479800287 1099028106 /nfs/dbraw/zinc/02/81/06/1099028106.db2.gz URCWPJAXRBXYOZ-INIZCTEOSA-N 2 2 329.448 2.176 10 0 EEAELP Cc1ccncc1C[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001479800287 1099028116 /nfs/dbraw/zinc/02/81/16/1099028116.db2.gz URCWPJAXRBXYOZ-INIZCTEOSA-N 2 2 329.448 2.176 10 0 EEAELP O=C(NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001480030697 1099519944 /nfs/dbraw/zinc/51/99/44/1099519944.db2.gz ORDMQHIUNJYSRG-PKOBYXMFSA-N 2 2 338.455 2.130 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1c(F)cccc1F ZINC001444716402 1099581993 /nfs/dbraw/zinc/58/19/93/1099581993.db2.gz DIWOIJOUIVNGHN-LBPRGKRZSA-N 2 2 336.386 2.106 10 0 EEAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1[NH2+]C/C=C/c1ccccc1 ZINC001444782668 1099688747 /nfs/dbraw/zinc/68/87/47/1099688747.db2.gz FYOURLXGCVNTJL-RNHKPAHNSA-N 2 2 338.455 2.423 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001480205856 1099810548 /nfs/dbraw/zinc/81/05/48/1099810548.db2.gz QWAIVHDTNBWFSS-IYBDPMFKSA-N 2 2 332.492 2.435 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001480287734 1099997177 /nfs/dbraw/zinc/99/71/77/1099997177.db2.gz VUTCUXPUFJLKKP-DLBZAZTESA-N 2 2 330.476 2.074 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001480373700 1100154158 /nfs/dbraw/zinc/15/41/58/1100154158.db2.gz RVLUSOIFMJEXMR-MSOLQXFVSA-N 2 2 348.491 2.143 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001480373700 1100154160 /nfs/dbraw/zinc/15/41/60/1100154160.db2.gz RVLUSOIFMJEXMR-MSOLQXFVSA-N 2 2 348.491 2.143 10 0 EEAELP CC1CCC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001480392286 1100198132 /nfs/dbraw/zinc/19/81/32/1100198132.db2.gz IUGJCLLWHNZCHL-POEQODTNSA-N 2 2 330.476 2.215 10 0 EEAELP CC1CCC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001480392286 1100198137 /nfs/dbraw/zinc/19/81/37/1100198137.db2.gz IUGJCLLWHNZCHL-POEQODTNSA-N 2 2 330.476 2.215 10 0 EEAELP CC1CCC(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001480392286 1100198139 /nfs/dbraw/zinc/19/81/39/1100198139.db2.gz IUGJCLLWHNZCHL-POEQODTNSA-N 2 2 330.476 2.215 10 0 EEAELP CC1CCC(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001480392286 1100198142 /nfs/dbraw/zinc/19/81/42/1100198142.db2.gz IUGJCLLWHNZCHL-POEQODTNSA-N 2 2 330.476 2.215 10 0 EEAELP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001480479298 1100287691 /nfs/dbraw/zinc/28/76/91/1100287691.db2.gz HJSOQFPALSUYHG-ZFWWWQNUSA-N 2 2 334.464 2.021 10 0 EEAELP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001480479298 1100287696 /nfs/dbraw/zinc/28/76/96/1100287696.db2.gz HJSOQFPALSUYHG-ZFWWWQNUSA-N 2 2 334.464 2.021 10 0 EEAELP Cc1nc(C[NH+]2CCC(C)(NC(=O)CC[NH+]3CCCCC3)CC2)co1 ZINC001446479543 1100909059 /nfs/dbraw/zinc/90/90/59/1100909059.db2.gz WGVLIRXNFHTRMB-UHFFFAOYSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CCCC2)no1 ZINC001446487918 1100924348 /nfs/dbraw/zinc/92/43/48/1100924348.db2.gz GIDAFULCTZVDMD-ZWKOTPCHSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CCCC2)no1 ZINC001446487918 1100924350 /nfs/dbraw/zinc/92/43/50/1100924350.db2.gz GIDAFULCTZVDMD-ZWKOTPCHSA-N 2 2 348.491 2.232 10 0 EEAELP CC(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001495255099 1100952843 /nfs/dbraw/zinc/95/28/43/1100952843.db2.gz OVBTXKNMQMHDKX-KXBFYZLASA-N 2 2 332.492 2.366 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1CC[NH2+]CCC1CCOCC1 ZINC001496414454 1101006520 /nfs/dbraw/zinc/00/65/20/1101006520.db2.gz NPFRLUYDNIUNAG-KRWDZBQOSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1ccncc1C[N@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001446557042 1101035866 /nfs/dbraw/zinc/03/58/66/1101035866.db2.gz ORYCGUJFVBWSQZ-VQIMIIECSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ccncc1C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001446557042 1101035871 /nfs/dbraw/zinc/03/58/71/1101035871.db2.gz ORYCGUJFVBWSQZ-VQIMIIECSA-N 2 2 341.459 2.318 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001446569099 1101053377 /nfs/dbraw/zinc/05/33/77/1101053377.db2.gz WKWZSBVXPPCKNA-KRWDZBQOSA-N 2 2 332.835 2.317 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001446569099 1101053386 /nfs/dbraw/zinc/05/33/86/1101053386.db2.gz WKWZSBVXPPCKNA-KRWDZBQOSA-N 2 2 332.835 2.317 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cs1 ZINC001495681142 1101427053 /nfs/dbraw/zinc/42/70/53/1101427053.db2.gz FSSQZFSDAQFLFI-NILFDRSVSA-N 2 2 332.473 2.425 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cs1 ZINC001495681142 1101427061 /nfs/dbraw/zinc/42/70/61/1101427061.db2.gz FSSQZFSDAQFLFI-NILFDRSVSA-N 2 2 332.473 2.425 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001495923855 1101768771 /nfs/dbraw/zinc/76/87/71/1101768771.db2.gz LNIJTSQKBAVGMK-MRXNPFEDSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)c2ccn3c(C)c[nH+]c3c2)no1 ZINC001497189346 1102096667 /nfs/dbraw/zinc/09/66/67/1102096667.db2.gz VTBGYOCTBQKOTJ-LBPRGKRZSA-N 2 2 341.415 2.237 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001496172581 1102169309 /nfs/dbraw/zinc/16/93/09/1102169309.db2.gz PSOVTYNELMTOJK-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP CCN(CC[NH2+]CC[C@@H](C)F)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001497478749 1102553729 /nfs/dbraw/zinc/55/37/29/1102553729.db2.gz QVUBZGHJWICOGL-OAHLLOKOSA-N 2 2 334.439 2.371 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC[C@H]1CCOC1 ZINC001447787401 1103342327 /nfs/dbraw/zinc/34/23/27/1103342327.db2.gz XILPDKXTRKMAGS-DLBZAZTESA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC[C@H]1CCOC1 ZINC001447787401 1103342343 /nfs/dbraw/zinc/34/23/43/1103342343.db2.gz XILPDKXTRKMAGS-DLBZAZTESA-N 2 2 348.491 2.000 10 0 EEAELP 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Cc1ncc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)o1 ZINC001498314923 1107277514 /nfs/dbraw/zinc/27/75/14/1107277514.db2.gz XZXJRJSHEPJGRO-RDTXWAMCSA-N 2 2 348.491 2.327 10 0 EEAELP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001498326592 1107302711 /nfs/dbraw/zinc/30/27/11/1107302711.db2.gz XLBQEVZBJIQYCF-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001498326592 1107302725 /nfs/dbraw/zinc/30/27/25/1107302725.db2.gz XLBQEVZBJIQYCF-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001493168333 1107629017 /nfs/dbraw/zinc/62/90/17/1107629017.db2.gz SANGDDPRXHUPTL-MSOLQXFVSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC001493168333 1107629024 /nfs/dbraw/zinc/62/90/24/1107629024.db2.gz SANGDDPRXHUPTL-MSOLQXFVSA-N 2 2 348.491 2.203 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001498500204 1107641219 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2.434 10 0 EEAELP C[NH+]1CC[C@@H](CC(=O)NC[C@@H]2CC[N@H+]2Cc2sccc2Cl)C1 ZINC001499099252 1108584238 /nfs/dbraw/zinc/58/42/38/1108584238.db2.gz AYMDINHSGOLEKI-STQMWFEESA-N 2 2 341.908 2.434 10 0 EEAELP CN(CC[NH2+]CC1CCCCCC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001493733096 1108590369 /nfs/dbraw/zinc/59/03/69/1108590369.db2.gz TUSFLCXLSITNND-UHFFFAOYSA-N 2 2 339.524 2.116 10 0 EEAELP C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001472115089 1110543644 /nfs/dbraw/zinc/54/36/44/1110543644.db2.gz HUPKMWNCQMXBLW-ZFWWWQNUSA-N 2 2 340.418 2.003 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001479223915 1110662212 /nfs/dbraw/zinc/66/22/12/1110662212.db2.gz FTVICJXIBZVICU-PPPANMTLSA-N 2 2 330.476 2.335 10 0 EEAELP COCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001500097177 1112615044 /nfs/dbraw/zinc/61/50/44/1112615044.db2.gz QPPSNCMDZOWPQJ-QGZVFWFLSA-N 2 2 330.432 2.088 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CC[C@@H]1CCCO1)C1CCCC1 ZINC001500122869 1112627735 /nfs/dbraw/zinc/62/77/35/1112627735.db2.gz MHAPLMLLLOYNDH-WMZOPIPTSA-N 2 2 348.491 2.094 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccon1)CC(C)(C)C ZINC001501399461 1113343275 /nfs/dbraw/zinc/34/32/75/1113343275.db2.gz HICHKFTXPPRRJM-SJORKVTESA-N 2 2 348.491 2.218 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1ccon1)CC(C)(C)C ZINC001501399461 1113343279 /nfs/dbraw/zinc/34/32/79/1113343279.db2.gz HICHKFTXPPRRJM-SJORKVTESA-N 2 2 348.491 2.218 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccon1)CC(C)(C)C ZINC001501399461 1113343281 /nfs/dbraw/zinc/34/32/81/1113343281.db2.gz HICHKFTXPPRRJM-SJORKVTESA-N 2 2 348.491 2.218 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccon1)CC(C)(C)C ZINC001501399461 1113343285 /nfs/dbraw/zinc/34/32/85/1113343285.db2.gz HICHKFTXPPRRJM-SJORKVTESA-N 2 2 348.491 2.218 10 0 EEAELP COCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001501419525 1113353034 /nfs/dbraw/zinc/35/30/34/1113353034.db2.gz NTRNPLFQXPWGLA-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001501419525 1113353035 /nfs/dbraw/zinc/35/30/35/1113353035.db2.gz NTRNPLFQXPWGLA-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CCC2)o1 ZINC001501967770 1113541346 /nfs/dbraw/zinc/54/13/46/1113541346.db2.gz BAMWRKTVDAPQES-JKSUJKDBSA-N 2 2 346.475 2.128 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@@H+]34)CCC2)o1 ZINC001501967770 1113541350 /nfs/dbraw/zinc/54/13/50/1113541350.db2.gz BAMWRKTVDAPQES-JKSUJKDBSA-N 2 2 346.475 2.128 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)co1 ZINC001502381799 1113656504 /nfs/dbraw/zinc/65/65/04/1113656504.db2.gz GNCCEQMVRNWBQS-MSOLQXFVSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1nc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)co1 ZINC001502381799 1113656505 /nfs/dbraw/zinc/65/65/05/1113656505.db2.gz GNCCEQMVRNWBQS-MSOLQXFVSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1nc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)co1 ZINC001502381799 1113656508 /nfs/dbraw/zinc/65/65/08/1113656508.db2.gz GNCCEQMVRNWBQS-MSOLQXFVSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1nc(C[NH+](C)CCCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)co1 ZINC001502381799 1113656510 /nfs/dbraw/zinc/65/65/10/1113656510.db2.gz GNCCEQMVRNWBQS-MSOLQXFVSA-N 2 2 348.491 2.280 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC001505499805 1114025487 /nfs/dbraw/zinc/02/54/87/1114025487.db2.gz CEQLICKIXGRIAF-UHFFFAOYSA-N 2 2 330.407 2.166 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]Cc2ccccc2F)C1 ZINC001505499805 1114025489 /nfs/dbraw/zinc/02/54/89/1114025489.db2.gz CEQLICKIXGRIAF-UHFFFAOYSA-N 2 2 330.407 2.166 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cnc(Cl)s1 ZINC001505739866 1114161873 /nfs/dbraw/zinc/16/18/73/1114161873.db2.gz TURNEEXIBRPJKM-RKDXNWHRSA-N 2 2 341.868 2.054 10 0 EEAELP C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)[C@H](C)[NH2+]Cc1nccs1 ZINC001505765687 1114178004 /nfs/dbraw/zinc/17/80/04/1114178004.db2.gz WGDRJNUIRPXJRX-GJZGRUSLSA-N 2 2 346.500 2.258 10 0 EEAELP C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)[C@H](C)[NH2+]Cc1nccs1 ZINC001505765687 1114178005 /nfs/dbraw/zinc/17/80/05/1114178005.db2.gz WGDRJNUIRPXJRX-GJZGRUSLSA-N 2 2 346.500 2.258 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@@H+](C)CCOCC(C)C)ccn12 ZINC001505920773 1114277118 /nfs/dbraw/zinc/27/71/18/1114277118.db2.gz STWVIXXKPBSNTL-HNNXBMFYSA-N 2 2 346.475 2.365 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[N@H+](C)CCOCC(C)C)ccn12 ZINC001505920773 1114277122 /nfs/dbraw/zinc/27/71/22/1114277122.db2.gz STWVIXXKPBSNTL-HNNXBMFYSA-N 2 2 346.475 2.365 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001506858956 1114925610 /nfs/dbraw/zinc/92/56/10/1114925610.db2.gz REGITHMBANPRHH-FGTMMUONSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001506858956 1114925612 /nfs/dbraw/zinc/92/56/12/1114925612.db2.gz REGITHMBANPRHH-FGTMMUONSA-N 2 2 344.503 2.370 10 0 EEAELP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001507014358 1115054568 /nfs/dbraw/zinc/05/45/68/1115054568.db2.gz CVWBIDIZBYDTHP-AEFFLSMTSA-N 2 2 330.476 2.072 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H](C)[NH2+]Cc3cnc(C)o3)ccn12 ZINC001507074194 1115093853 /nfs/dbraw/zinc/09/38/53/1115093853.db2.gz SKPHXYRTDZRCKH-LBPRGKRZSA-N 2 2 341.415 2.189 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2F ZINC001507164681 1115143399 /nfs/dbraw/zinc/14/33/99/1115143399.db2.gz RYVVJBYEEBQJGX-GUYCJALGSA-N 2 2 330.407 2.146 10 0 EEAELP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(F)ccc1F ZINC001507381781 1115240825 /nfs/dbraw/zinc/24/08/25/1115240825.db2.gz JYGFXEPLEDQCKF-SUMWQHHRSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(F)ccc1F ZINC001507381781 1115240827 /nfs/dbraw/zinc/24/08/27/1115240827.db2.gz JYGFXEPLEDQCKF-SUMWQHHRSA-N 2 2 339.430 2.386 10 0 EEAELP CCOCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001507440091 1115270154 /nfs/dbraw/zinc/27/01/54/1115270154.db2.gz OHNDKMSQUZLWPR-MRXNPFEDSA-N 2 2 330.432 2.040 10 0 EEAELP O=C(NC1(C[NH2+]CCC2CC2)CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001568002889 1124225241 /nfs/dbraw/zinc/22/52/41/1124225241.db2.gz VZKWBFDNTINCFN-INIZCTEOSA-N 2 2 330.476 2.264 10 0 EEAELP C[C@@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001568063946 1124269336 /nfs/dbraw/zinc/26/93/36/1124269336.db2.gz UDSYCJYWINDBNP-HZPDHXFCSA-N 2 2 338.471 2.319 10 0 EEAELP COCCC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001568107730 1124306726 /nfs/dbraw/zinc/30/67/26/1124306726.db2.gz NAUBLUYCTIZPPT-SHTZXODSSA-N 2 2 330.432 2.001 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001568282248 1124402823 /nfs/dbraw/zinc/40/28/23/1124402823.db2.gz GACZEOPHFHMSDX-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001568306445 1124413637 /nfs/dbraw/zinc/41/36/37/1124413637.db2.gz LXIHWTGSYYKPCB-MRXNPFEDSA-N 2 2 337.508 2.034 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]CCC(F)(F)F ZINC001568400304 1124470465 /nfs/dbraw/zinc/47/04/65/1124470465.db2.gz HDPVBWLQWLVCOT-CYBMUJFWSA-N 2 2 332.370 2.196 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001568685915 1124697891 /nfs/dbraw/zinc/69/78/91/1124697891.db2.gz CPKNYRXKZURYBI-VXGBXAGGSA-N 2 2 335.477 2.038 10 0 EEAELP CC(C)c1cccc(C[NH2+]CC[C@H](C)NC(=O)Cc2c[nH+]cn2C)n1 ZINC001568699201 1124714109 /nfs/dbraw/zinc/71/41/09/1124714109.db2.gz NZOKFPAJAWEGFL-HNNXBMFYSA-N 2 2 343.475 2.166 10 0 EEAELP CCN(CC[NH2+]Cc1cnc(C)s1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568751156 1124764843 /nfs/dbraw/zinc/76/48/43/1124764843.db2.gz JTQJJFHDDRZMQG-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001568799319 1124813216 /nfs/dbraw/zinc/81/32/16/1124813216.db2.gz BJLIEZCGQMMKIP-KBPBESRZSA-N 2 2 336.480 2.102 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000248978964 539683150 /nfs/dbraw/zinc/68/31/50/539683150.db2.gz VAONHBAWNNTILD-DOTOQJQBSA-N 2 2 334.370 2.182 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000248978964 539683153 /nfs/dbraw/zinc/68/31/53/539683153.db2.gz VAONHBAWNNTILD-DOTOQJQBSA-N 2 2 334.370 2.182 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N(C)Cc2[nH+]ccn2C)cc[nH+]1 ZINC000330110737 539788185 /nfs/dbraw/zinc/78/81/85/539788185.db2.gz ALVKZSKEBYGWEW-YOEHRIQHSA-N 2 2 344.463 2.462 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000127427240 291059598 /nfs/dbraw/zinc/05/95/98/291059598.db2.gz JMSUNLXZFWGFOO-LPHOPBHVSA-N 2 2 345.487 2.074 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000127427240 291059601 /nfs/dbraw/zinc/05/96/01/291059601.db2.gz JMSUNLXZFWGFOO-LPHOPBHVSA-N 2 2 345.487 2.074 10 0 EEAELP FC(F)(F)Oc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422799524 240233336 /nfs/dbraw/zinc/23/33/36/240233336.db2.gz XCTSRBDUSNCFPJ-HUUCEWRRSA-N 2 2 330.350 2.442 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OC(F)F ZINC000422809025 240239457 /nfs/dbraw/zinc/23/94/57/240239457.db2.gz LSYFHHVJMHKVHQ-CVEARBPZSA-N 2 2 342.386 2.153 10 0 EEAELP COc1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)cc1OC(F)F ZINC000422814003 240240907 /nfs/dbraw/zinc/24/09/07/240240907.db2.gz SWFDSGKCTNQDAM-DGCLKSJQSA-N 2 2 330.375 2.153 10 0 EEAELP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCCC[NH2+]1 ZINC000422879359 240270204 /nfs/dbraw/zinc/27/02/04/240270204.db2.gz KHNHKVALXUNXQI-DFGXFYAUSA-N 2 2 332.492 2.315 10 0 EEAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCc1cn(C)c[nH+]1 ZINC000459182531 245025033 /nfs/dbraw/zinc/02/50/33/245025033.db2.gz QHJMTZBAINKZMO-UHFFFAOYSA-N 2 2 343.475 2.256 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)C2 ZINC000273040105 256260058 /nfs/dbraw/zinc/26/00/58/256260058.db2.gz WARMGYFXVYGNEI-CQSZACIVSA-N 2 2 345.491 2.262 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C2 ZINC000273040105 256260059 /nfs/dbraw/zinc/26/00/59/256260059.db2.gz WARMGYFXVYGNEI-CQSZACIVSA-N 2 2 345.491 2.262 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)CCCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328631503 258028273 /nfs/dbraw/zinc/02/82/73/258028273.db2.gz KNBWDTGNQJKMPR-PKOBYXMFSA-N 3 2 344.507 2.412 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)CCCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328631503 258028274 /nfs/dbraw/zinc/02/82/74/258028274.db2.gz KNBWDTGNQJKMPR-PKOBYXMFSA-N 3 2 344.507 2.412 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)CCCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328631503 258028276 /nfs/dbraw/zinc/02/82/76/258028276.db2.gz KNBWDTGNQJKMPR-PKOBYXMFSA-N 3 2 344.507 2.412 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328631503 258028277 /nfs/dbraw/zinc/02/82/77/258028277.db2.gz KNBWDTGNQJKMPR-PKOBYXMFSA-N 3 2 344.507 2.412 10 0 EEAELP CCN1CCC[C@@H](C[N@H+](C)CCCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328631503 258028278 /nfs/dbraw/zinc/02/82/78/258028278.db2.gz KNBWDTGNQJKMPR-PKOBYXMFSA-N 2 2 344.507 2.412 10 0 EEAELP CCN1CCC[C@@H](C[N@@H+](C)CCCn2cc[nH+]c2)[C@@H]1c1cnn(C)c1 ZINC000328631503 258028280 /nfs/dbraw/zinc/02/82/80/258028280.db2.gz KNBWDTGNQJKMPR-PKOBYXMFSA-N 2 2 344.507 2.412 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)[NH+]2CCCC2)cc1 ZINC000263102593 152374467 /nfs/dbraw/zinc/37/44/67/152374467.db2.gz ZPWKRLSTZSGHIL-HOTGVXAUSA-N 2 2 337.414 2.245 10 0 EEAELP COC(=O)c1ccccc1CC[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000186727146 160081246 /nfs/dbraw/zinc/08/12/46/160081246.db2.gz JMWISEONKRUNNT-MRXNPFEDSA-N 2 2 346.471 2.201 10 0 EEAELP COC(=O)c1ccccc1CC[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000186727146 160081247 /nfs/dbraw/zinc/08/12/47/160081247.db2.gz JMWISEONKRUNNT-MRXNPFEDSA-N 2 2 346.471 2.201 10 0 EEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[NH+]2CCC1CC2 ZINC000188856191 160130798 /nfs/dbraw/zinc/13/07/98/160130798.db2.gz SDMSPJVVZFOOKG-SFHVURJKSA-N 2 2 345.512 2.083 10 0 EEAELP CCO[C@H]1C[C@@](O)(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000189441970 160141824 /nfs/dbraw/zinc/14/18/24/160141824.db2.gz GWJDVIGSQSNMAG-AZUAARDMSA-N 2 2 347.503 2.202 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC000193617555 160183870 /nfs/dbraw/zinc/18/38/70/160183870.db2.gz BKHDMVNIYOBQJG-HDICACEKSA-N 2 2 343.515 2.136 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC000193617555 160183872 /nfs/dbraw/zinc/18/38/72/160183872.db2.gz BKHDMVNIYOBQJG-HDICACEKSA-N 2 2 343.515 2.136 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC000193617555 160183874 /nfs/dbraw/zinc/18/38/74/160183874.db2.gz BKHDMVNIYOBQJG-HDICACEKSA-N 2 2 343.515 2.136 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NCCc3ccc(C(C)(C)C)cc3)C[C@@H]2C1 ZINC000193617555 160183876 /nfs/dbraw/zinc/18/38/76/160183876.db2.gz BKHDMVNIYOBQJG-HDICACEKSA-N 2 2 343.515 2.136 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437960 160235533 /nfs/dbraw/zinc/23/55/33/160235533.db2.gz RVIYOSRQJQHJMD-WMLDXEAASA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437960 160235534 /nfs/dbraw/zinc/23/55/34/160235534.db2.gz RVIYOSRQJQHJMD-WMLDXEAASA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437960 160235535 /nfs/dbraw/zinc/23/55/35/160235535.db2.gz RVIYOSRQJQHJMD-WMLDXEAASA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000245437960 160235536 /nfs/dbraw/zinc/23/55/36/160235536.db2.gz RVIYOSRQJQHJMD-WMLDXEAASA-N 2 2 349.475 2.304 10 0 EEAELP O=c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2sccn21 ZINC000246796500 160295572 /nfs/dbraw/zinc/29/55/72/160295572.db2.gz MOHLCRMJKWEYLW-BBRMVZONSA-N 2 2 344.484 2.205 10 0 EEAELP O=c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc2sccn21 ZINC000246796500 160295573 /nfs/dbraw/zinc/29/55/73/160295573.db2.gz MOHLCRMJKWEYLW-BBRMVZONSA-N 2 2 344.484 2.205 10 0 EEAELP O=c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc2sccn21 ZINC000246796500 160295575 /nfs/dbraw/zinc/29/55/75/160295575.db2.gz MOHLCRMJKWEYLW-BBRMVZONSA-N 2 2 344.484 2.205 10 0 EEAELP O=c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc2sccn21 ZINC000246796500 160295577 /nfs/dbraw/zinc/29/55/77/160295577.db2.gz MOHLCRMJKWEYLW-BBRMVZONSA-N 2 2 344.484 2.205 10 0 EEAELP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cccnc2)n1 ZINC000246903232 160300409 /nfs/dbraw/zinc/30/04/09/160300409.db2.gz ULPWLLDKJNCTEY-WMZOPIPTSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cccnc2)n1 ZINC000246903232 160300411 /nfs/dbraw/zinc/30/04/11/160300411.db2.gz ULPWLLDKJNCTEY-WMZOPIPTSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2cccnc2)n1 ZINC000246903232 160300413 /nfs/dbraw/zinc/30/04/13/160300413.db2.gz ULPWLLDKJNCTEY-WMZOPIPTSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2cccnc2)n1 ZINC000246903232 160300415 /nfs/dbraw/zinc/30/04/15/160300415.db2.gz ULPWLLDKJNCTEY-WMZOPIPTSA-N 2 2 325.460 2.398 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247287123 160318806 /nfs/dbraw/zinc/31/88/06/160318806.db2.gz TYWOFQKZTQWXEO-NVXWUHKLSA-N 2 2 335.879 2.372 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247287123 160318808 /nfs/dbraw/zinc/31/88/08/160318808.db2.gz TYWOFQKZTQWXEO-NVXWUHKLSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247287123 160318809 /nfs/dbraw/zinc/31/88/09/160318809.db2.gz TYWOFQKZTQWXEO-NVXWUHKLSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247287123 160318811 /nfs/dbraw/zinc/31/88/11/160318811.db2.gz TYWOFQKZTQWXEO-NVXWUHKLSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC000346697727 161393449 /nfs/dbraw/zinc/39/34/49/161393449.db2.gz GJUNEIXSFPZUPV-FDMITFGQSA-N 2 2 327.472 2.248 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000346697727 161393450 /nfs/dbraw/zinc/39/34/50/161393450.db2.gz GJUNEIXSFPZUPV-FDMITFGQSA-N 2 2 327.472 2.248 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000355656086 163261505 /nfs/dbraw/zinc/26/15/05/163261505.db2.gz NSHYFIGQXTWVQF-UHFFFAOYSA-N 2 2 337.427 2.369 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1NC(C)=O ZINC000153278914 292503055 /nfs/dbraw/zinc/50/30/55/292503055.db2.gz ICVWQMCYYGYCKT-GJZGRUSLSA-N 2 2 349.475 2.273 10 0 EEAELP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCc2[nH+]c(C(C)C)[nH]c2C1 ZINC000364545893 165179705 /nfs/dbraw/zinc/17/97/05/165179705.db2.gz XSXYNGZLTMIXMU-CQSZACIVSA-N 2 2 329.448 2.349 10 0 EEAELP Cc1[nH+]ccn1CCCNC(=O)[C@@H]1CCc2[nH]c(C(C)C)[nH+]c2C1 ZINC000364545893 165179712 /nfs/dbraw/zinc/17/97/12/165179712.db2.gz XSXYNGZLTMIXMU-CQSZACIVSA-N 2 2 329.448 2.349 10 0 EEAELP COc1cccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000369645528 166303318 /nfs/dbraw/zinc/30/33/18/166303318.db2.gz FLKQMAJPBFLFJD-UHFFFAOYSA-N 2 2 345.487 2.375 10 0 EEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[NH+](C2CC2)CC1 ZINC000122592775 222120047 /nfs/dbraw/zinc/12/00/47/222120047.db2.gz GESBELXGJPLAPO-GOSISDBHSA-N 2 2 345.512 2.083 10 0 EEAELP Cc1nc(F)ccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000278315203 269223293 /nfs/dbraw/zinc/22/32/93/269223293.db2.gz DWGDRLBDBJHIRV-GOSISDBHSA-N 2 2 329.419 2.038 10 0 EEAELP Cc1nc(F)ccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000278315203 269223295 /nfs/dbraw/zinc/22/32/95/269223295.db2.gz DWGDRLBDBJHIRV-GOSISDBHSA-N 2 2 329.419 2.038 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376888356 278220371 /nfs/dbraw/zinc/22/03/71/278220371.db2.gz NSRHRYWJTZYJDK-YLJYHZDGSA-N 2 2 343.515 2.492 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376888356 278220375 /nfs/dbraw/zinc/22/03/75/278220375.db2.gz NSRHRYWJTZYJDK-YLJYHZDGSA-N 2 2 343.515 2.492 10 0 EEAELP COC(=O)c1nc([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)sc1C ZINC000297607203 294294813 /nfs/dbraw/zinc/29/48/13/294294813.db2.gz KIBKBRGHVJFFAP-ZDUSSCGKSA-N 2 2 334.445 2.351 10 0 EEAELP COC(=O)c1nc([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)sc1C ZINC000297607203 294294816 /nfs/dbraw/zinc/29/48/16/294294816.db2.gz KIBKBRGHVJFFAP-ZDUSSCGKSA-N 2 2 334.445 2.351 10 0 EEAELP Cc1ccn2c(C[NH2+][C@@H]3CCO[C@@H](c4c[nH+]cn4C)C3)cnc2c1 ZINC000333019307 312079663 /nfs/dbraw/zinc/07/96/63/312079663.db2.gz HZXZAPSWEJXLJE-RHSMWYFYSA-N 2 2 325.416 2.386 10 0 EEAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N[C@H]1CCCC[NH2+]C1 ZINC000333385721 312139011 /nfs/dbraw/zinc/13/90/11/312139011.db2.gz OBVYCXVYKJGXDS-KRWDZBQOSA-N 2 2 345.491 2.403 10 0 EEAELP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416935856 313365797 /nfs/dbraw/zinc/36/57/97/313365797.db2.gz GZQJVLGNTVLPMK-BXUZGUMPSA-N 2 2 335.839 2.304 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCc3cn4cc(Cl)ccc4[nH+]3)C[C@H]21 ZINC000416939247 313367542 /nfs/dbraw/zinc/36/75/42/313367542.db2.gz MTBXTRRBJYBUKS-NILFDRSVSA-N 2 2 347.850 2.257 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418242674 313762031 /nfs/dbraw/zinc/76/20/31/313762031.db2.gz COMJUKUBWXHTJE-IUODEOHRSA-N 2 2 347.850 2.323 10 0 EEAELP c1ccc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cn2)nc1 ZINC000425417330 314389933 /nfs/dbraw/zinc/38/99/33/314389933.db2.gz JWONREDRZWOHHA-SFHVURJKSA-N 2 2 338.455 2.298 10 0 EEAELP c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cn2)nc1 ZINC000425417330 314389934 /nfs/dbraw/zinc/38/99/34/314389934.db2.gz JWONREDRZWOHHA-SFHVURJKSA-N 2 2 338.455 2.298 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccn1 ZINC000527663722 317240175 /nfs/dbraw/zinc/24/01/75/317240175.db2.gz CTNYZBSLZHOABL-WOJBJXKFSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccn1 ZINC000527663722 317240180 /nfs/dbraw/zinc/24/01/80/317240180.db2.gz CTNYZBSLZHOABL-WOJBJXKFSA-N 2 2 325.456 2.363 10 0 EEAELP COc1ccc([C@@H](CCn2cncn2)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530218434 317701113 /nfs/dbraw/zinc/70/11/13/317701113.db2.gz WDMTXRDXBCGGSL-MSOLQXFVSA-N 2 2 341.459 2.292 10 0 EEAELP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1(C)C ZINC000547320934 318278995 /nfs/dbraw/zinc/27/89/95/318278995.db2.gz QHPJWJWGMMJXFD-OWCLPIDISA-N 2 2 348.491 2.093 10 0 EEAELP COc1ccsc1[C@@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000547431624 318287736 /nfs/dbraw/zinc/28/77/36/318287736.db2.gz FVMONHHKZFAHEF-OLZOCXBDSA-N 2 2 348.472 2.332 10 0 EEAELP C[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000571300407 319743385 /nfs/dbraw/zinc/74/33/85/319743385.db2.gz BDLUTMCYESJZEN-NEPJUHHUSA-N 2 2 335.839 2.175 10 0 EEAELP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)C1CC[NH+](CC(F)F)CC1 ZINC000577612335 320265685 /nfs/dbraw/zinc/26/56/85/320265685.db2.gz QKENMQLQRUXWRX-INIZCTEOSA-N 2 2 337.414 2.048 10 0 EEAELP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000182373214 323373906 /nfs/dbraw/zinc/37/39/06/323373906.db2.gz MOGRDVWYCNXGLX-ZWKOTPCHSA-N 2 2 347.484 2.377 10 0 EEAELP C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000580999656 324166582 /nfs/dbraw/zinc/16/65/82/324166582.db2.gz WYBHLDMIDGZYEI-QWHCGFSZSA-N 2 2 337.493 2.330 10 0 EEAELP CN(C)c1nc(N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc[nH+]1 ZINC000581500436 324267394 /nfs/dbraw/zinc/26/73/94/324267394.db2.gz SCZFXJCPPYPPMH-AWEZNQCLSA-N 2 2 326.448 2.459 10 0 EEAELP CNC(=O)[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Cc1ccc(F)cc1C ZINC000583441446 324664501 /nfs/dbraw/zinc/66/45/01/324664501.db2.gz FUQFPLOLQSCVCK-LESCRADOSA-N 2 2 335.467 2.159 10 0 EEAELP Cc1nc(N(C)C)nc(NCc2cccc(C[NH+]3CCCC3)c2)[nH+]1 ZINC000488401363 447846506 /nfs/dbraw/zinc/84/65/06/447846506.db2.gz VAWSKFVULNGABM-UHFFFAOYSA-N 2 2 326.448 2.454 10 0 EEAELP Cc1nc(NCc2cccc(C[NH+]3CCCC3)c2)nc(N(C)C)[nH+]1 ZINC000488401363 447846508 /nfs/dbraw/zinc/84/65/08/447846508.db2.gz VAWSKFVULNGABM-UHFFFAOYSA-N 2 2 326.448 2.454 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529366209 448842805 /nfs/dbraw/zinc/84/28/05/448842805.db2.gz JEPVMBYLZGOJIQ-CABCVRRESA-N 2 2 348.495 2.089 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000327115209 465047794 /nfs/dbraw/zinc/04/77/94/465047794.db2.gz QRBZVAVNOJOMGU-SFHVURJKSA-N 2 2 336.439 2.054 10 0 EEAELP CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)o1 ZINC000341298983 465098938 /nfs/dbraw/zinc/09/89/38/465098938.db2.gz KEVSRDSKINDHHM-HIFRSBDPSA-N 2 2 330.432 2.417 10 0 EEAELP CCN(CCOC)c1cccc(CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)[nH+]1 ZINC000351712223 465310593 /nfs/dbraw/zinc/31/05/93/465310593.db2.gz NUWAVFWUTNOOKZ-SJORKVTESA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(CN2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)[nH+]1 ZINC000351712223 465310599 /nfs/dbraw/zinc/31/05/99/465310599.db2.gz NUWAVFWUTNOOKZ-SJORKVTESA-N 2 2 334.508 2.469 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000061522578 462586567 /nfs/dbraw/zinc/58/65/67/462586567.db2.gz BGYXODOCUVWJCM-INIZCTEOSA-N 2 2 341.459 2.367 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)Cc3ccco3)C2)[nH+]1 ZINC000114717257 462674762 /nfs/dbraw/zinc/67/47/62/462674762.db2.gz FLVONFWAXUYRME-MRXNPFEDSA-N 2 2 342.443 2.375 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)Cc3ccco3)C2)[nH+]1 ZINC000114717257 462674769 /nfs/dbraw/zinc/67/47/69/462674769.db2.gz FLVONFWAXUYRME-MRXNPFEDSA-N 2 2 342.443 2.375 10 0 EEAELP Fc1cc(C[NH2+]C[C@H]2CNc3ccnn3C2)ccc1-n1cc[nH+]c1 ZINC000069458570 463251841 /nfs/dbraw/zinc/25/18/41/463251841.db2.gz DIFXADCNDBRCKK-AWEZNQCLSA-N 2 2 326.379 2.039 10 0 EEAELP COC(=O)C[NH+]1CCC(Nc2ccc(N3CCCC3)[nH+]c2C)CC1 ZINC000097085103 463318897 /nfs/dbraw/zinc/31/88/97/463318897.db2.gz RGNANTQHVWHPFG-UHFFFAOYSA-N 2 2 332.448 2.040 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123758452 463366370 /nfs/dbraw/zinc/36/63/70/463366370.db2.gz TZJMNHJPSWIHQX-OAHLLOKOSA-N 2 2 342.443 2.322 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123758452 463366373 /nfs/dbraw/zinc/36/63/73/463366373.db2.gz TZJMNHJPSWIHQX-OAHLLOKOSA-N 2 2 342.443 2.322 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000071825271 463432381 /nfs/dbraw/zinc/43/23/81/463432381.db2.gz GZFJWNSGMKZROU-GOSISDBHSA-N 2 2 340.471 2.255 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]Cc2cc3ccccc3nc2N2CCOCC2)C1 ZINC000071825271 463432385 /nfs/dbraw/zinc/43/23/85/463432385.db2.gz GZFJWNSGMKZROU-GOSISDBHSA-N 2 2 340.471 2.255 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000072277920 463494869 /nfs/dbraw/zinc/49/48/69/463494869.db2.gz VNAVPSFEJNZPJR-YJBOKZPZSA-N 2 2 338.455 2.069 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](C)[N@H+]1CCc3ccccc3C1)C2 ZINC000072277920 463494873 /nfs/dbraw/zinc/49/48/73/463494873.db2.gz VNAVPSFEJNZPJR-YJBOKZPZSA-N 2 2 338.455 2.069 10 0 EEAELP COc1ccc(OCCC[NH+]2CCN(Cc3[nH+]ccn3C)CC2)cc1 ZINC000105931040 463500679 /nfs/dbraw/zinc/50/06/79/463500679.db2.gz QNPZRYZIEIQNSC-UHFFFAOYSA-N 2 2 344.459 2.015 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(N2CCOC2=O)cc1 ZINC000151261503 463502029 /nfs/dbraw/zinc/50/20/29/463502029.db2.gz CPHCRXMINAKNEI-CRAIPNDOSA-N 2 2 347.459 2.141 10 0 EEAELP c1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccccc1N1CCOCC1)CCC2 ZINC000084504980 463608128 /nfs/dbraw/zinc/60/81/28/463608128.db2.gz SCUWNGCQJRBILU-QGZVFWFLSA-N 2 2 326.444 2.387 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1F ZINC000109754124 463648314 /nfs/dbraw/zinc/64/83/14/463648314.db2.gz QNIPLYLKZGYMIN-KRWDZBQOSA-N 2 2 335.467 2.436 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1F ZINC000109754124 463648317 /nfs/dbraw/zinc/64/83/17/463648317.db2.gz QNIPLYLKZGYMIN-KRWDZBQOSA-N 2 2 335.467 2.436 10 0 EEAELP Cc1[nH+]ccn1-c1cc(CNC(=O)C[N@@H+](C)Cc2ccccc2)ccn1 ZINC000170597546 463679076 /nfs/dbraw/zinc/67/90/76/463679076.db2.gz VRACDWUSJWTMOZ-UHFFFAOYSA-N 2 2 349.438 2.324 10 0 EEAELP Cc1[nH+]ccn1-c1cc(CNC(=O)C[N@H+](C)Cc2ccccc2)ccn1 ZINC000170597546 463679080 /nfs/dbraw/zinc/67/90/80/463679080.db2.gz VRACDWUSJWTMOZ-UHFFFAOYSA-N 2 2 349.438 2.324 10 0 EEAELP Fc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000261787414 463860475 /nfs/dbraw/zinc/86/04/75/463860475.db2.gz QECOVVRUHGSTIH-ZDUSSCGKSA-N 2 2 342.256 2.068 10 0 EEAELP Fc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000261787414 463860476 /nfs/dbraw/zinc/86/04/76/463860476.db2.gz QECOVVRUHGSTIH-ZDUSSCGKSA-N 2 2 342.256 2.068 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)[nH+]1 ZINC000195516244 464064128 /nfs/dbraw/zinc/06/41/28/464064128.db2.gz ATYJNYRDDOBUAR-HNNXBMFYSA-N 2 2 342.487 2.429 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC(C3CC3)C3CC3)C2)[nH+]1 ZINC000195516244 464064135 /nfs/dbraw/zinc/06/41/35/464064135.db2.gz ATYJNYRDDOBUAR-HNNXBMFYSA-N 2 2 342.487 2.429 10 0 EEAELP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)co1 ZINC000188199056 464222424 /nfs/dbraw/zinc/22/24/24/464222424.db2.gz DZNJWQCWNPHWLD-CYBMUJFWSA-N 2 2 349.381 2.411 10 0 EEAELP [NH3+]Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)co1 ZINC000188199056 464222431 /nfs/dbraw/zinc/22/24/31/464222431.db2.gz DZNJWQCWNPHWLD-CYBMUJFWSA-N 2 2 349.381 2.411 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc3c[nH]nc3c2)CCC[N@@H+]1C ZINC000284525835 464229423 /nfs/dbraw/zinc/22/94/23/464229423.db2.gz MCUDXOWJUMKHCJ-QFBILLFUSA-N 2 2 338.459 2.469 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc3c[nH]nc3c2)CCC[N@H+]1C ZINC000284525835 464229428 /nfs/dbraw/zinc/22/94/28/464229428.db2.gz MCUDXOWJUMKHCJ-QFBILLFUSA-N 2 2 338.459 2.469 10 0 EEAELP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188420379 464276933 /nfs/dbraw/zinc/27/69/33/464276933.db2.gz OKLSYWUTEFAGIT-DOTOQJQBSA-N 2 2 343.427 2.488 10 0 EEAELP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188420379 464276940 /nfs/dbraw/zinc/27/69/40/464276940.db2.gz OKLSYWUTEFAGIT-DOTOQJQBSA-N 2 2 343.427 2.488 10 0 EEAELP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768531 464335193 /nfs/dbraw/zinc/33/51/93/464335193.db2.gz KDNIRNQHHNINGO-PKOBYXMFSA-N 2 2 325.460 2.243 10 0 EEAELP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768531 464335199 /nfs/dbraw/zinc/33/51/99/464335199.db2.gz KDNIRNQHHNINGO-PKOBYXMFSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768531 464335203 /nfs/dbraw/zinc/33/52/03/464335203.db2.gz KDNIRNQHHNINGO-PKOBYXMFSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768531 464335205 /nfs/dbraw/zinc/33/52/05/464335205.db2.gz KDNIRNQHHNINGO-PKOBYXMFSA-N 2 2 325.460 2.243 10 0 EEAELP CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180664614 464364756 /nfs/dbraw/zinc/36/47/56/464364756.db2.gz HGCDQFBHUACUPK-UONOGXRCSA-N 2 2 343.431 2.146 10 0 EEAELP CCc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000284849003 464365278 /nfs/dbraw/zinc/36/52/78/464365278.db2.gz DOURSZDPYDHADN-IRXDYDNUSA-N 2 2 339.443 2.010 10 0 EEAELP CCc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)nc(-c2ccncc2)[nH+]1 ZINC000284849003 464365285 /nfs/dbraw/zinc/36/52/85/464365285.db2.gz DOURSZDPYDHADN-IRXDYDNUSA-N 2 2 339.443 2.010 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3cc[nH+]c32)[C@@H](C)C1 ZINC000245412571 464478164 /nfs/dbraw/zinc/47/81/64/464478164.db2.gz ACTMFLBEEAFRRU-BBWFWOEESA-N 2 2 348.491 2.014 10 0 EEAELP CCOCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3cc[nH+]c32)[C@@H](C)C1 ZINC000245412571 464478172 /nfs/dbraw/zinc/47/81/72/464478172.db2.gz ACTMFLBEEAFRRU-BBWFWOEESA-N 2 2 348.491 2.014 10 0 EEAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000246086150 464541431 /nfs/dbraw/zinc/54/14/31/464541431.db2.gz GHBSTSTYCMEKGS-SJORKVTESA-N 2 2 347.507 2.260 10 0 EEAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000246086150 464541434 /nfs/dbraw/zinc/54/14/34/464541434.db2.gz GHBSTSTYCMEKGS-SJORKVTESA-N 2 2 347.507 2.260 10 0 EEAELP CCc1nn(C)c(Cl)c1C[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275413343 464773647 /nfs/dbraw/zinc/77/36/47/464773647.db2.gz DFNCNSZSBFXRCL-IAQYHMDHSA-N 2 2 337.855 2.379 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000177431867 465014141 /nfs/dbraw/zinc/01/41/41/465014141.db2.gz ZNAIPCCKBXWFGR-DLBZAZTESA-N 2 2 333.480 2.179 10 0 EEAELP CCn1cc[nH+]c1[C@H]1CCCCN1S(=O)(=O)CC[NH+](CC)CC ZINC000352919737 465569368 /nfs/dbraw/zinc/56/93/68/465569368.db2.gz XXHDHABHMFJUBS-OAHLLOKOSA-N 2 2 342.509 2.102 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348754308 465772886 /nfs/dbraw/zinc/77/28/86/465772886.db2.gz KPXNQTYHSSTVAP-YVWKXTFCSA-N 2 2 340.471 2.053 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348754308 465772891 /nfs/dbraw/zinc/77/28/91/465772891.db2.gz KPXNQTYHSSTVAP-YVWKXTFCSA-N 2 2 340.471 2.053 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)CCn3cc[nH+]c3)CC2)s1 ZINC000349195119 466014611 /nfs/dbraw/zinc/01/46/11/466014611.db2.gz DTCLCWKDSYRPCV-UHFFFAOYSA-N 2 2 332.473 2.242 10 0 EEAELP Cc1ccc(C)c(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000353753122 466120824 /nfs/dbraw/zinc/12/08/24/466120824.db2.gz VXEFXWBXFBRLSV-UHFFFAOYSA-N 2 2 325.460 2.482 10 0 EEAELP c1c[nH]c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000555611822 468486509 /nfs/dbraw/zinc/48/65/09/468486509.db2.gz CUXGCHMWIACHSB-SFHVURJKSA-N 2 2 340.471 2.428 10 0 EEAELP c1c[nH]c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n1 ZINC000555611822 468486512 /nfs/dbraw/zinc/48/65/12/468486512.db2.gz CUXGCHMWIACHSB-SFHVURJKSA-N 2 2 340.471 2.428 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000358008098 466383019 /nfs/dbraw/zinc/38/30/19/466383019.db2.gz AWIOPQLWVJBRFX-KSSFIOAISA-N 2 2 327.428 2.249 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000358008098 466383027 /nfs/dbraw/zinc/38/30/27/466383027.db2.gz AWIOPQLWVJBRFX-KSSFIOAISA-N 2 2 327.428 2.249 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338840338 466416465 /nfs/dbraw/zinc/41/64/65/466416465.db2.gz KLVJWWLMMNKHAQ-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000338840338 466416471 /nfs/dbraw/zinc/41/64/71/466416471.db2.gz KLVJWWLMMNKHAQ-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP COCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309895821 466504992 /nfs/dbraw/zinc/50/49/92/466504992.db2.gz DLINPSOQIORQGK-HOTGVXAUSA-N 2 2 343.512 2.190 10 0 EEAELP COCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309895821 466504998 /nfs/dbraw/zinc/50/49/98/466504998.db2.gz DLINPSOQIORQGK-HOTGVXAUSA-N 2 2 343.512 2.190 10 0 EEAELP COC(=O)COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000341127818 466604199 /nfs/dbraw/zinc/60/41/99/466604199.db2.gz DSCFSHOBBJNLMI-UHFFFAOYSA-N 2 2 329.400 2.341 10 0 EEAELP Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000368457960 466642279 /nfs/dbraw/zinc/64/22/79/466642279.db2.gz LTKJNBNYWYPVRT-INIZCTEOSA-N 2 2 334.427 2.624 10 0 EEAELP Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000368457960 466642280 /nfs/dbraw/zinc/64/22/80/466642280.db2.gz LTKJNBNYWYPVRT-INIZCTEOSA-N 2 2 334.427 2.624 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423543409 466771028 /nfs/dbraw/zinc/77/10/28/466771028.db2.gz BTQNJSDPNVZVAZ-CJNGLKHVSA-N 2 2 325.478 2.241 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004298 467019216 /nfs/dbraw/zinc/01/92/16/467019216.db2.gz YVHFPAIAPUMSSO-ONERCXAPSA-N 2 2 342.846 2.261 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418004298 467019220 /nfs/dbraw/zinc/01/92/20/467019220.db2.gz YVHFPAIAPUMSSO-ONERCXAPSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CS(C)(=O)=O ZINC000377116056 467032480 /nfs/dbraw/zinc/03/24/80/467032480.db2.gz QVUJDOPUBWIOIM-HUUCEWRRSA-N 2 2 339.505 2.080 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)CS(C)(=O)=O ZINC000377116056 467032481 /nfs/dbraw/zinc/03/24/81/467032481.db2.gz QVUJDOPUBWIOIM-HUUCEWRRSA-N 2 2 339.505 2.080 10 0 EEAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000418566986 467129759 /nfs/dbraw/zinc/12/97/59/467129759.db2.gz GHGFGSYHNYQXSA-RDJZCZTQSA-N 2 2 341.459 2.071 10 0 EEAELP CC(C)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCCCC1 ZINC000378089365 467194938 /nfs/dbraw/zinc/19/49/38/467194938.db2.gz FLAJAHSFZUEJQR-YJBOKZPZSA-N 2 2 347.507 2.467 10 0 EEAELP CC(C)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCCCCC1 ZINC000378089365 467194941 /nfs/dbraw/zinc/19/49/41/467194941.db2.gz FLAJAHSFZUEJQR-YJBOKZPZSA-N 2 2 347.507 2.467 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1 ZINC000420298148 467342432 /nfs/dbraw/zinc/34/24/32/467342432.db2.gz GVLQRERPFJBQOK-MRXNPFEDSA-N 2 2 333.476 2.069 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2CC(=O)N(C(C)C)C(C)(C)C2)cc1 ZINC000420298148 467342436 /nfs/dbraw/zinc/34/24/36/467342436.db2.gz GVLQRERPFJBQOK-MRXNPFEDSA-N 2 2 333.476 2.069 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cc(Br)ccc2OC)C[C@H]1C[NH3+] ZINC000405464958 467481680 /nfs/dbraw/zinc/48/16/80/467481680.db2.gz SISDBXIKUXBXQY-IUODEOHRSA-N 2 2 343.265 2.253 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cc(Br)ccc2OC)C[C@H]1C[NH3+] ZINC000405464958 467481683 /nfs/dbraw/zinc/48/16/83/467481683.db2.gz SISDBXIKUXBXQY-IUODEOHRSA-N 2 2 343.265 2.253 10 0 EEAELP Cc1cc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)cs1 ZINC000449079215 467616890 /nfs/dbraw/zinc/61/68/90/467616890.db2.gz XWRVHVBZURYGAA-UHFFFAOYSA-N 2 2 331.489 2.148 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457733859 467691071 /nfs/dbraw/zinc/69/10/71/467691071.db2.gz KOHBPSOKFADGKC-HZPDHXFCSA-N 2 2 335.496 2.020 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000531378609 468048695 /nfs/dbraw/zinc/04/86/95/468048695.db2.gz UZOCSTDCSUAFTR-KEBWOPOESA-N 2 2 333.520 2.342 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[N@H+]1C ZINC000531378609 468048697 /nfs/dbraw/zinc/04/86/97/468048697.db2.gz UZOCSTDCSUAFTR-KEBWOPOESA-N 2 2 333.520 2.342 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[NH+]1C ZINC000531378609 468048699 /nfs/dbraw/zinc/04/86/99/468048699.db2.gz UZOCSTDCSUAFTR-KEBWOPOESA-N 2 2 333.520 2.342 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NC2C3CC4CC(C3)CC2C4)CC[NH+]1C ZINC000531378609 468048701 /nfs/dbraw/zinc/04/87/01/468048701.db2.gz UZOCSTDCSUAFTR-KEBWOPOESA-N 2 2 333.520 2.342 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N(C)[C@@H]3C[NH+]4CCC3CC4)CC2)[nH+]c1 ZINC000600515238 468578762 /nfs/dbraw/zinc/57/87/62/468578762.db2.gz PTEYVLFVUUWKRM-GOSISDBHSA-N 2 2 342.487 2.159 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000594951347 468730022 /nfs/dbraw/zinc/73/00/22/468730022.db2.gz GSAQDISUDVHNQM-MJSCVDMRSA-N 2 2 331.460 2.394 10 0 EEAELP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1n1cccn1 ZINC000583645777 468734717 /nfs/dbraw/zinc/73/47/17/468734717.db2.gz NNVCYBIRLHRZIQ-LMMKCTJWSA-N 2 2 341.459 2.255 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571325304 468772057 /nfs/dbraw/zinc/77/20/57/468772057.db2.gz DSUJOLIQVRPPCH-MRXNPFEDSA-N 2 2 341.908 2.435 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571325304 468772060 /nfs/dbraw/zinc/77/20/60/468772060.db2.gz DSUJOLIQVRPPCH-MRXNPFEDSA-N 2 2 341.908 2.435 10 0 EEAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000571499840 468796413 /nfs/dbraw/zinc/79/64/13/468796413.db2.gz JYHVZVMNQPXSQI-AWEZNQCLSA-N 2 2 347.488 2.102 10 0 EEAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000571499840 468796417 /nfs/dbraw/zinc/79/64/17/468796417.db2.gz JYHVZVMNQPXSQI-AWEZNQCLSA-N 2 2 347.488 2.102 10 0 EEAELP [NH3+]CCc1ccccc1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000571575390 468808567 /nfs/dbraw/zinc/80/85/67/468808567.db2.gz SXKXDQARQCDADC-UHFFFAOYSA-N 2 2 341.430 2.285 10 0 EEAELP COC(=O)[C@@H](c1cccc(OC)c1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000595676870 468950503 /nfs/dbraw/zinc/95/05/03/468950503.db2.gz PSAKRKPDAITQEZ-QGZVFWFLSA-N 2 2 331.416 2.207 10 0 EEAELP COC(=O)[C@@H](c1cccc(OC)c1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000595676870 468950507 /nfs/dbraw/zinc/95/05/07/468950507.db2.gz PSAKRKPDAITQEZ-QGZVFWFLSA-N 2 2 331.416 2.207 10 0 EEAELP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)c1C ZINC000598960693 469067209 /nfs/dbraw/zinc/06/72/09/469067209.db2.gz FKHYCQFGQMOPEM-HNNXBMFYSA-N 2 2 337.464 2.009 10 0 EEAELP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@H+]2CCOC)c1C ZINC000598960693 469067217 /nfs/dbraw/zinc/06/72/17/469067217.db2.gz FKHYCQFGQMOPEM-HNNXBMFYSA-N 2 2 337.464 2.009 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588976677 469184069 /nfs/dbraw/zinc/18/40/69/469184069.db2.gz UJSYICPWXVZCEM-CABCVRRESA-N 2 2 333.480 2.139 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588976677 469184075 /nfs/dbraw/zinc/18/40/75/469184075.db2.gz UJSYICPWXVZCEM-CABCVRRESA-N 2 2 333.480 2.139 10 0 EEAELP CCC[C@H](OCC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000625856983 469412052 /nfs/dbraw/zinc/41/20/52/469412052.db2.gz VMDXTTIECMOETR-KRWDZBQOSA-N 2 2 339.524 2.258 10 0 EEAELP OC[C@]12CCC[C@H]1C[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000626015387 469470912 /nfs/dbraw/zinc/47/09/12/469470912.db2.gz UAVANEUZTYSOIA-PZJWPPBQSA-N 2 2 343.515 2.293 10 0 EEAELP OC[C@]12CCC[C@H]1C[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000626015387 469470916 /nfs/dbraw/zinc/47/09/16/469470916.db2.gz UAVANEUZTYSOIA-PZJWPPBQSA-N 2 2 343.515 2.293 10 0 EEAELP Cc1cccn2c(NC(=O)c3cc(C[NH+]4CCCC4)on3)c[nH+]c12 ZINC000619015560 469500379 /nfs/dbraw/zinc/50/03/79/469500379.db2.gz FLDSELKKDDOOJP-UHFFFAOYSA-N 2 2 325.372 2.479 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000623671021 469728889 /nfs/dbraw/zinc/72/88/89/469728889.db2.gz PMUHFWNVKHGVJH-ROUUACIJSA-N 2 2 338.455 2.269 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)CC2 ZINC000623671021 469728891 /nfs/dbraw/zinc/72/88/91/469728891.db2.gz PMUHFWNVKHGVJH-ROUUACIJSA-N 2 2 338.455 2.269 10 0 EEAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCO1 ZINC000623881341 469787607 /nfs/dbraw/zinc/78/76/07/469787607.db2.gz KTRPTOFBWHLCSD-PKOBYXMFSA-N 3 2 332.492 2.141 10 0 EEAELP Cc1nc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)c(Br)c(C)[nH+]1 ZINC000630385134 469830597 /nfs/dbraw/zinc/83/05/97/469830597.db2.gz BHCWVSFRACAZAR-RYUDHWBXSA-N 2 2 325.254 2.434 10 0 EEAELP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cnc(C)o2)CC1 ZINC000628203664 470075332 /nfs/dbraw/zinc/07/53/32/470075332.db2.gz QWKPKXOCVSTVCU-UHFFFAOYSA-N 2 2 328.460 2.410 10 0 EEAELP c1cn(-c2csc(C[NH2+]Cc3nnc(C4CCOCC4)[nH]3)c2)c[nH+]1 ZINC000631214720 470095114 /nfs/dbraw/zinc/09/51/14/470095114.db2.gz ZQOXWVVLLVCFFI-UHFFFAOYSA-N 2 2 344.444 2.236 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000631469922 470148238 /nfs/dbraw/zinc/14/82/38/470148238.db2.gz VJPQQGZLYSTPLK-YJBOKZPZSA-N 2 2 326.444 2.356 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000631469922 470148241 /nfs/dbraw/zinc/14/82/41/470148241.db2.gz VJPQQGZLYSTPLK-YJBOKZPZSA-N 2 2 326.444 2.356 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC(C[NH+]3CCCC3)CC1)CC2 ZINC000625549002 470163259 /nfs/dbraw/zinc/16/32/59/470163259.db2.gz NEORQMJHOOHQKV-KRWDZBQOSA-N 2 2 330.476 2.088 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C[NH3+] ZINC000631840195 470186715 /nfs/dbraw/zinc/18/67/15/470186715.db2.gz AFURNYQHCUDIQG-MWLCHTKSSA-N 2 2 327.222 2.204 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C[NH3+] ZINC000631840195 470186716 /nfs/dbraw/zinc/18/67/16/470186716.db2.gz AFURNYQHCUDIQG-MWLCHTKSSA-N 2 2 327.222 2.204 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885449 470189240 /nfs/dbraw/zinc/18/92/40/470189240.db2.gz AORASHODCNHMAJ-NJAFHUGGSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631885449 470189241 /nfs/dbraw/zinc/18/92/41/470189241.db2.gz AORASHODCNHMAJ-NJAFHUGGSA-N 2 2 327.472 2.428 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887137 470189396 /nfs/dbraw/zinc/18/93/96/470189396.db2.gz MHWWXPSWWZNENX-HKUYNNGSSA-N 2 2 345.487 2.166 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887137 470189397 /nfs/dbraw/zinc/18/93/97/470189397.db2.gz MHWWXPSWWZNENX-HKUYNNGSSA-N 2 2 345.487 2.166 10 0 EEAELP O=C(c1ccc(-c2c[nH]c[nH+]2)cc1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000632796507 470271611 /nfs/dbraw/zinc/27/16/11/470271611.db2.gz ZJLINPJDIUYRKI-RDJZCZTQSA-N 2 2 328.391 2.335 10 0 EEAELP CCc1ccc([C@H](C[NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)[NH+](C)C)cc1 ZINC000634636933 470272022 /nfs/dbraw/zinc/27/20/22/470272022.db2.gz MGGVDJWPUURHPA-SLFFLAALSA-N 2 2 334.504 2.353 10 0 EEAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000649393385 470572260 /nfs/dbraw/zinc/57/22/60/470572260.db2.gz DCQZODVMGDHHNA-DZGCQCFKSA-N 2 2 329.435 2.226 10 0 EEAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000649393385 470572266 /nfs/dbraw/zinc/57/22/66/470572266.db2.gz DCQZODVMGDHHNA-DZGCQCFKSA-N 2 2 329.435 2.226 10 0 EEAELP CC[C@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@H]1[NH3+] ZINC000649416592 470580677 /nfs/dbraw/zinc/58/06/77/470580677.db2.gz FSHILTLWZXCBDE-DLBZAZTESA-N 2 2 347.507 2.461 10 0 EEAELP CC[C@H]1C[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@H]1[NH3+] ZINC000649416592 470580684 /nfs/dbraw/zinc/58/06/84/470580684.db2.gz FSHILTLWZXCBDE-DLBZAZTESA-N 2 2 347.507 2.461 10 0 EEAELP CC1([NH+]2CCCC2)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000633944158 470647162 /nfs/dbraw/zinc/64/71/62/470647162.db2.gz BLJRBFSCNVANGM-UHFFFAOYSA-N 2 2 339.443 2.358 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C(F)(F)F)CC3)CC2)CC1 ZINC000643362791 470675848 /nfs/dbraw/zinc/67/58/48/470675848.db2.gz SJKLZTYBWPFMLI-UHFFFAOYSA-N 2 2 347.425 2.348 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C(F)(F)F)CC3)CC2)CC1 ZINC000643362791 470675854 /nfs/dbraw/zinc/67/58/54/470675854.db2.gz SJKLZTYBWPFMLI-UHFFFAOYSA-N 2 2 347.425 2.348 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000646773960 470732381 /nfs/dbraw/zinc/73/23/81/470732381.db2.gz PMQUMKMXJCVYQZ-LBPRGKRZSA-N 2 2 332.473 2.312 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000646773960 470732388 /nfs/dbraw/zinc/73/23/88/470732388.db2.gz PMQUMKMXJCVYQZ-LBPRGKRZSA-N 2 2 332.473 2.312 10 0 EEAELP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2n(n1)CCCC2 ZINC000647295352 470878111 /nfs/dbraw/zinc/87/81/11/470878111.db2.gz IOHNTYCQYCWSRC-HNNXBMFYSA-N 2 2 343.475 2.406 10 0 EEAELP CC[N@H+](CC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C)C1CC1 ZINC000650684039 470939853 /nfs/dbraw/zinc/93/98/53/470939853.db2.gz PHSMCFJWDFDZDX-QGZVFWFLSA-N 2 2 326.444 2.304 10 0 EEAELP CC[N@@H+](CC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C)C1CC1 ZINC000650684039 470939855 /nfs/dbraw/zinc/93/98/55/470939855.db2.gz PHSMCFJWDFDZDX-QGZVFWFLSA-N 2 2 326.444 2.304 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901992 471012448 /nfs/dbraw/zinc/01/24/48/471012448.db2.gz YGADMMQVFKHALV-WDYCEAGBSA-N 2 2 345.487 2.164 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901992 471012450 /nfs/dbraw/zinc/01/24/50/471012450.db2.gz YGADMMQVFKHALV-WDYCEAGBSA-N 2 2 345.487 2.164 10 0 EEAELP Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C[NH+](C)C ZINC000651332496 471133360 /nfs/dbraw/zinc/13/33/60/471133360.db2.gz YBXVIXILGOAUFN-INIZCTEOSA-N 2 2 343.475 2.343 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000657573683 471172826 /nfs/dbraw/zinc/17/28/26/471172826.db2.gz OMDRFORDJLFRGZ-IRFCIJBXSA-N 3 2 346.563 2.369 10 0 EEAELP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000657573683 471172829 /nfs/dbraw/zinc/17/28/29/471172829.db2.gz OMDRFORDJLFRGZ-IRFCIJBXSA-N 3 2 346.563 2.369 10 0 EEAELP c1[nH+]cn(Cc2ccccc2)c1Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641037973 471173848 /nfs/dbraw/zinc/17/38/48/471173848.db2.gz AHMJBNSMCAQNIN-QGZVFWFLSA-N 2 2 336.443 2.113 10 0 EEAELP c1cn(-c2csc(C[NH+]3CCC(Cn4cnnc4)CC3)c2)c[nH+]1 ZINC000651954847 471182657 /nfs/dbraw/zinc/18/26/57/471182657.db2.gz VNAGJNGEVNOAFQ-UHFFFAOYSA-N 2 2 328.445 2.438 10 0 EEAELP COCCN1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C(C)(C)C1 ZINC000652036766 471211753 /nfs/dbraw/zinc/21/17/53/471211753.db2.gz VLLUHQHQZRACQT-UHFFFAOYSA-N 2 2 349.519 2.170 10 0 EEAELP COCCN1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C(C)(C)C1 ZINC000652036766 471211756 /nfs/dbraw/zinc/21/17/56/471211756.db2.gz VLLUHQHQZRACQT-UHFFFAOYSA-N 2 2 349.519 2.170 10 0 EEAELP [NH3+]CC1(CCNC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000652196564 471254543 /nfs/dbraw/zinc/25/45/43/471254543.db2.gz XTXJTWHICHQSIT-UHFFFAOYSA-N 2 2 347.850 2.454 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000658167101 471274012 /nfs/dbraw/zinc/27/40/12/471274012.db2.gz DCIOGTJHIMJTOY-BMFZPTHFSA-N 2 2 325.403 2.306 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000658167101 471274015 /nfs/dbraw/zinc/27/40/15/471274015.db2.gz DCIOGTJHIMJTOY-BMFZPTHFSA-N 2 2 325.403 2.306 10 0 EEAELP CCO[C@@H]1C[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C[C@H]1C[NH3+] ZINC000652358198 471278853 /nfs/dbraw/zinc/27/88/53/471278853.db2.gz KVSZPHPLUXQFRO-NVXWUHKLSA-N 2 2 333.476 2.353 10 0 EEAELP CCO[C@@H]1C[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C[C@H]1C[NH3+] ZINC000652358198 471278855 /nfs/dbraw/zinc/27/88/55/471278855.db2.gz KVSZPHPLUXQFRO-NVXWUHKLSA-N 2 2 333.476 2.353 10 0 EEAELP CCO[C@@H]1C[N@H+](CC(=O)Nc2c(CC)cccc2CC)C[C@H]1C[NH3+] ZINC000652358547 471278928 /nfs/dbraw/zinc/27/89/28/471278928.db2.gz QRFZTHORYIVLDX-IAGOWNOFSA-N 2 2 333.476 2.046 10 0 EEAELP CCO[C@@H]1C[N@@H+](CC(=O)Nc2c(CC)cccc2CC)C[C@H]1C[NH3+] ZINC000652358547 471278930 /nfs/dbraw/zinc/27/89/30/471278930.db2.gz QRFZTHORYIVLDX-IAGOWNOFSA-N 2 2 333.476 2.046 10 0 EEAELP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244780 471291239 /nfs/dbraw/zinc/29/12/39/471291239.db2.gz VHNAZZCTLRFHAQ-MCIONIFRSA-N 2 2 339.505 2.037 10 0 EEAELP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244780 471291242 /nfs/dbraw/zinc/29/12/42/471291242.db2.gz VHNAZZCTLRFHAQ-MCIONIFRSA-N 2 2 339.505 2.037 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)s1 ZINC000655447394 471329072 /nfs/dbraw/zinc/32/90/72/471329072.db2.gz QSRNFMRDBOQFIT-HKUYNNGSSA-N 2 2 347.528 2.344 10 0 EEAELP CC(=O)c1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000666461076 471411199 /nfs/dbraw/zinc/41/11/99/471411199.db2.gz BSMAFSAABOHXHW-UHFFFAOYSA-N 2 2 334.464 2.203 10 0 EEAELP CC(=O)c1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1C ZINC000666461076 471411207 /nfs/dbraw/zinc/41/12/07/471411207.db2.gz BSMAFSAABOHXHW-UHFFFAOYSA-N 2 2 334.464 2.203 10 0 EEAELP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1[nH+]ccn1C ZINC000660794682 471489770 /nfs/dbraw/zinc/48/97/70/471489770.db2.gz KMTXPYUDGZGGDI-ZDUSSCGKSA-N 2 2 333.411 2.051 10 0 EEAELP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1[nH+]ccn1C ZINC000660794682 471489776 /nfs/dbraw/zinc/48/97/76/471489776.db2.gz KMTXPYUDGZGGDI-ZDUSSCGKSA-N 2 2 333.411 2.051 10 0 EEAELP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667252232 471709900 /nfs/dbraw/zinc/70/99/00/471709900.db2.gz CYJPNJHGIKUZRF-DOTOQJQBSA-N 2 2 341.459 2.397 10 0 EEAELP [NH3+]Cc1ccc(-n2cc(C[NH+]3CCN(c4ccccc4)CC3)nn2)cc1 ZINC000656459767 471723115 /nfs/dbraw/zinc/72/31/15/471723115.db2.gz MPOSPXKUAHHNEV-UHFFFAOYSA-N 2 2 348.454 2.048 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000661405267 471746119 /nfs/dbraw/zinc/74/61/19/471746119.db2.gz UJXLHEMNCUVTDG-GDBMZVCRSA-N 2 2 332.448 2.117 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000661405267 471746124 /nfs/dbraw/zinc/74/61/24/471746124.db2.gz UJXLHEMNCUVTDG-GDBMZVCRSA-N 2 2 332.448 2.117 10 0 EEAELP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664627628 471814422 /nfs/dbraw/zinc/81/44/22/471814422.db2.gz WVXXTFOBEAQYBO-QLFBSQMISA-N 2 2 333.480 2.433 10 0 EEAELP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664627628 471814427 /nfs/dbraw/zinc/81/44/27/471814427.db2.gz WVXXTFOBEAQYBO-QLFBSQMISA-N 2 2 333.480 2.433 10 0 EEAELP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664627625 471814746 /nfs/dbraw/zinc/81/47/46/471814746.db2.gz WVXXTFOBEAQYBO-ILXRZTDVSA-N 2 2 333.480 2.433 10 0 EEAELP C[C@@H](NC(=O)N[C@@H](C)c1[nH+]ccn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664627625 471814750 /nfs/dbraw/zinc/81/47/50/471814750.db2.gz WVXXTFOBEAQYBO-ILXRZTDVSA-N 2 2 333.480 2.433 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654352672 471923622 /nfs/dbraw/zinc/92/36/22/471923622.db2.gz ONUXEBSGXMUGCI-IYBDPMFKSA-N 2 2 343.475 2.374 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000654359702 471926966 /nfs/dbraw/zinc/92/69/66/471926966.db2.gz MSDLBZCGEPXFCU-RHNCMZPLSA-N 2 2 341.459 2.071 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654458550 471966986 /nfs/dbraw/zinc/96/69/86/471966986.db2.gz HHGSMFOHWSZWQY-CVEARBPZSA-N 2 2 333.480 2.355 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654458550 471966990 /nfs/dbraw/zinc/96/69/90/471966990.db2.gz HHGSMFOHWSZWQY-CVEARBPZSA-N 2 2 333.480 2.355 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000665295163 471994028 /nfs/dbraw/zinc/99/40/28/471994028.db2.gz VKEPXETVMFQFDJ-QRQLOZEOSA-N 2 2 327.472 2.075 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000665295163 471994030 /nfs/dbraw/zinc/99/40/30/471994030.db2.gz VKEPXETVMFQFDJ-QRQLOZEOSA-N 2 2 327.472 2.075 10 0 EEAELP COc1ccccc1-c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)on1 ZINC000665300027 471995416 /nfs/dbraw/zinc/99/54/16/471995416.db2.gz WXIQHZOTTRBOCB-MOPGFXCFSA-N 2 2 343.427 2.207 10 0 EEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316097 472068087 /nfs/dbraw/zinc/06/80/87/472068087.db2.gz IHFLCEBVKTXGOI-FUHWJXTLSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662316097 472068088 /nfs/dbraw/zinc/06/80/88/472068088.db2.gz IHFLCEBVKTXGOI-FUHWJXTLSA-N 2 2 345.487 2.007 10 0 EEAELP CCN(C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662319201 472069288 /nfs/dbraw/zinc/06/92/88/472069288.db2.gz KOCHMBKAVWLLCL-GOSISDBHSA-N 2 2 333.476 2.082 10 0 EEAELP CCN(C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662319201 472069292 /nfs/dbraw/zinc/06/92/92/472069292.db2.gz KOCHMBKAVWLLCL-GOSISDBHSA-N 2 2 333.476 2.082 10 0 EEAELP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319181 472069409 /nfs/dbraw/zinc/06/94/09/472069409.db2.gz KBZXYCUVVYICIG-WMZOPIPTSA-N 2 2 339.524 2.209 10 0 EEAELP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319181 472069412 /nfs/dbraw/zinc/06/94/12/472069412.db2.gz KBZXYCUVVYICIG-WMZOPIPTSA-N 2 2 339.524 2.209 10 0 EEAELP CC[N@H+](CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000662357062 472082289 /nfs/dbraw/zinc/08/22/89/472082289.db2.gz YMCATFKKYOFCNK-OAHLLOKOSA-N 2 2 341.459 2.133 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000662357062 472082293 /nfs/dbraw/zinc/08/22/93/472082293.db2.gz YMCATFKKYOFCNK-OAHLLOKOSA-N 2 2 341.459 2.133 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(-n2cccc2)c1 ZINC000665962872 472254332 /nfs/dbraw/zinc/25/43/32/472254332.db2.gz NWSYFEKLPBAKDD-UHFFFAOYSA-N 2 2 343.475 2.482 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(-n2cccc2)c1 ZINC000665962872 472254336 /nfs/dbraw/zinc/25/43/36/472254336.db2.gz NWSYFEKLPBAKDD-UHFFFAOYSA-N 2 2 343.475 2.482 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000662797540 472255484 /nfs/dbraw/zinc/25/54/84/472255484.db2.gz LFUWPQHKCYVWNB-HRCADAONSA-N 2 2 337.414 2.214 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CCC2(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000662797540 472255490 /nfs/dbraw/zinc/25/54/90/472255490.db2.gz LFUWPQHKCYVWNB-HRCADAONSA-N 2 2 337.414 2.214 10 0 EEAELP Cn1ncc2c1nc(N1CCC(C[NH+]3CCCCCC3)CC1)[nH+]c2N ZINC000683456349 485533364 /nfs/dbraw/zinc/53/33/64/485533364.db2.gz RZHKRCWPLNNGBR-UHFFFAOYSA-N 2 2 343.479 2.038 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055363 485551460 /nfs/dbraw/zinc/55/14/60/485551460.db2.gz JRWADNZNJXGEJI-BMFAXAFESA-N 2 2 347.503 2.293 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055363 485551464 /nfs/dbraw/zinc/55/14/64/485551464.db2.gz JRWADNZNJXGEJI-BMFAXAFESA-N 2 2 347.503 2.293 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055363 485551470 /nfs/dbraw/zinc/55/14/70/485551470.db2.gz JRWADNZNJXGEJI-BMFAXAFESA-N 2 2 347.503 2.293 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055363 485551476 /nfs/dbraw/zinc/55/14/76/485551476.db2.gz JRWADNZNJXGEJI-BMFAXAFESA-N 2 2 347.503 2.293 10 0 EEAELP CC[N@H+](CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)C1CCCCC1 ZINC000631167599 485777072 /nfs/dbraw/zinc/77/70/72/485777072.db2.gz NJVSBPILEQFIHQ-KRWDZBQOSA-N 2 2 349.523 2.449 10 0 EEAELP CC[N@@H+](CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)C1CCCCC1 ZINC000631167599 485777083 /nfs/dbraw/zinc/77/70/83/485777083.db2.gz NJVSBPILEQFIHQ-KRWDZBQOSA-N 2 2 349.523 2.449 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)CC2 ZINC000679897575 485839340 /nfs/dbraw/zinc/83/93/40/485839340.db2.gz OHUGXCPRBJIUMU-WMZOPIPTSA-N 2 2 339.443 2.162 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)CC2 ZINC000679897575 485839348 /nfs/dbraw/zinc/83/93/48/485839348.db2.gz OHUGXCPRBJIUMU-WMZOPIPTSA-N 2 2 339.443 2.162 10 0 EEAELP Cc1ncc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)s1 ZINC000679993380 485865407 /nfs/dbraw/zinc/86/54/07/485865407.db2.gz DPQGVUGHMHTCGQ-AAEUAGOBSA-N 2 2 333.461 2.027 10 0 EEAELP OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000680110521 485892332 /nfs/dbraw/zinc/89/23/32/485892332.db2.gz GIFWAXWOPNKESN-MRXNPFEDSA-N 2 2 343.456 2.290 10 0 EEAELP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000675254974 485940642 /nfs/dbraw/zinc/94/06/42/485940642.db2.gz DAERPZYALFOHAU-UYAOXDASSA-N 2 2 342.487 2.358 10 0 EEAELP Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000675254974 485940648 /nfs/dbraw/zinc/94/06/48/485940648.db2.gz DAERPZYALFOHAU-UYAOXDASSA-N 2 2 342.487 2.358 10 0 EEAELP Cc1nn(C)cc1[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000675254974 485940652 /nfs/dbraw/zinc/94/06/52/485940652.db2.gz DAERPZYALFOHAU-UYAOXDASSA-N 2 2 342.487 2.358 10 0 EEAELP Cc1nn(C)cc1[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000675254974 485940655 /nfs/dbraw/zinc/94/06/55/485940655.db2.gz DAERPZYALFOHAU-UYAOXDASSA-N 2 2 342.487 2.358 10 0 EEAELP CN(c1cc(-n2cc[nH+]c2)ncn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675549666 486014574 /nfs/dbraw/zinc/01/45/74/486014574.db2.gz MGIHZWMABWDVAD-KRWDZBQOSA-N 2 2 334.427 2.373 10 0 EEAELP CN(c1cc(-n2cc[nH+]c2)ncn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000675549666 486014580 /nfs/dbraw/zinc/01/45/80/486014580.db2.gz MGIHZWMABWDVAD-KRWDZBQOSA-N 2 2 334.427 2.373 10 0 EEAELP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCn2cc(C)[nH+]c2C1)c1ccco1 ZINC000673142290 486280869 /nfs/dbraw/zinc/28/08/69/486280869.db2.gz JWCBUKKWLWLRIL-HIFRSBDPSA-N 2 2 345.447 2.439 10 0 EEAELP CC(C)[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[NH+]1CCCCC1 ZINC000171425047 528922249 /nfs/dbraw/zinc/92/22/49/528922249.db2.gz LNHIEMUNMHTVCG-QGZVFWFLSA-N 2 2 341.459 2.394 10 0 EEAELP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000753366933 577785890 /nfs/dbraw/zinc/78/58/90/577785890.db2.gz FPPTYQHNMPKHIF-LSDHHAIUSA-N 2 2 330.457 2.158 10 0 EEAELP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000753366933 577785891 /nfs/dbraw/zinc/78/58/91/577785891.db2.gz FPPTYQHNMPKHIF-LSDHHAIUSA-N 2 2 330.457 2.158 10 0 EEAELP COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000745984335 577921058 /nfs/dbraw/zinc/92/10/58/577921058.db2.gz JTXXHTJKOORWFV-INIZCTEOSA-N 2 2 331.416 2.340 10 0 EEAELP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnnc1 ZINC000924928991 681650014 /nfs/dbraw/zinc/65/00/14/681650014.db2.gz UGQKTCJKBRUGCV-VQIMIIECSA-N 2 2 325.460 2.116 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)CC[N@H+](C)C2CCCCC2)n1 ZINC000927768359 682093709 /nfs/dbraw/zinc/09/37/09/682093709.db2.gz IZONWZXLAIBPGU-UHFFFAOYSA-N 2 2 338.521 2.476 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)CC[N@@H+](C)C2CCCCC2)n1 ZINC000927768359 682093717 /nfs/dbraw/zinc/09/37/17/682093717.db2.gz IZONWZXLAIBPGU-UHFFFAOYSA-N 2 2 338.521 2.476 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1c1cc[nH+]cc1 ZINC000895556753 684641398 /nfs/dbraw/zinc/64/13/98/684641398.db2.gz JTAOFAIGSVQPME-MRXNPFEDSA-N 3 2 334.427 2.373 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1c1cc[nH+]cc1 ZINC000895556753 684641401 /nfs/dbraw/zinc/64/14/01/684641401.db2.gz JTAOFAIGSVQPME-MRXNPFEDSA-N 3 2 334.427 2.373 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c[nH+]1 ZINC000897103973 686144488 /nfs/dbraw/zinc/14/44/88/686144488.db2.gz BYOHKEYBXKVYCI-WBVHZDCISA-N 2 2 330.476 2.402 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c[nH+]1 ZINC000897103973 686144492 /nfs/dbraw/zinc/14/44/92/686144492.db2.gz BYOHKEYBXKVYCI-WBVHZDCISA-N 2 2 330.476 2.402 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCF)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000898502034 693350558 /nfs/dbraw/zinc/35/05/58/693350558.db2.gz LCXKJHMJQPNIQB-SFHVURJKSA-N 2 2 333.451 2.446 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCF)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000898502034 693350562 /nfs/dbraw/zinc/35/05/62/693350562.db2.gz LCXKJHMJQPNIQB-SFHVURJKSA-N 2 2 333.451 2.446 10 0 EEAELP O=C(CCc1[nH]cc[nH+]1)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899047058 693583896 /nfs/dbraw/zinc/58/38/96/693583896.db2.gz ISYCOVAPPZMGMT-UHFFFAOYSA-N 2 2 332.795 2.006 10 0 EEAELP CC(C)c1cccc(C[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)n1 ZINC001485540304 1191828612 /nfs/dbraw/zinc/82/86/12/1191828612.db2.gz WZROIGKAWCHPDT-HNNXBMFYSA-N 2 2 341.459 2.038 10 0 EEAELP Cc1conc1C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485584534 1191849969 /nfs/dbraw/zinc/84/99/69/1191849969.db2.gz HFLUMXWMTIUNFO-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485584534 1191849971 /nfs/dbraw/zinc/84/99/71/1191849971.db2.gz HFLUMXWMTIUNFO-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]c[nH+]c2C)co1 ZINC001266243932 1176010869 /nfs/dbraw/zinc/01/08/69/1176010869.db2.gz FQQHKMLKSWFHNA-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]c[nH+]c2C)co1 ZINC001266243932 1176010879 /nfs/dbraw/zinc/01/08/79/1176010879.db2.gz FQQHKMLKSWFHNA-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP O=C(NC[C@H]1CC[N@@H+](CCCCCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001266520018 1176722600 /nfs/dbraw/zinc/72/26/00/1176722600.db2.gz DLOKNVKCECVQNE-CVEARBPZSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(NC[C@H]1CC[N@H+](CCCCCF)C1)[C@H]1CCn2cc[nH+]c2C1 ZINC001266520018 1176722605 /nfs/dbraw/zinc/72/26/05/1176722605.db2.gz DLOKNVKCECVQNE-CVEARBPZSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(NC[C@@H]1CC[N@@H+](CCCCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266520021 1176722657 /nfs/dbraw/zinc/72/26/57/1176722657.db2.gz DLOKNVKCECVQNE-JKSUJKDBSA-N 2 2 336.455 2.023 10 0 EEAELP O=C(NC[C@@H]1CC[N@H+](CCCCCF)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001266520021 1176722662 /nfs/dbraw/zinc/72/26/62/1176722662.db2.gz DLOKNVKCECVQNE-JKSUJKDBSA-N 2 2 336.455 2.023 10 0 EEAELP CN(CC[NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266730927 1177315130 /nfs/dbraw/zinc/31/51/30/1177315130.db2.gz KVJYXJRRSGFFIY-QJPTWQEYSA-N 2 2 345.274 2.145 10 0 EEAELP CN(CC[NH2+]CC[C@H]1CC1(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266730927 1177315138 /nfs/dbraw/zinc/31/51/38/1177315138.db2.gz KVJYXJRRSGFFIY-QJPTWQEYSA-N 2 2 345.274 2.145 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001691177933 1177677038 /nfs/dbraw/zinc/67/70/38/1177677038.db2.gz IHJIMOPFYDNXDD-JOCQHMNTSA-N 2 2 346.397 2.180 10 0 EEAELP CN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)CCn1cc[nH+]c1 ZINC001691418450 1178032410 /nfs/dbraw/zinc/03/24/10/1178032410.db2.gz WSQHRCSYFYZINC-UHFFFAOYSA-N 2 2 326.400 2.268 10 0 EEAELP O=C(NC[C@H]1CCC[N@H+]1CCCCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267271246 1178649629 /nfs/dbraw/zinc/64/96/29/1178649629.db2.gz RJXZLLMAWUYTFQ-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NC[C@H]1CCC[N@@H+]1CCCCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267271246 1178649631 /nfs/dbraw/zinc/64/96/31/1178649631.db2.gz RJXZLLMAWUYTFQ-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)no1 ZINC001267419300 1178985442 /nfs/dbraw/zinc/98/54/42/1178985442.db2.gz LAVUCLIZVXWALH-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)no1 ZINC001267419300 1178985446 /nfs/dbraw/zinc/98/54/46/1178985446.db2.gz LAVUCLIZVXWALH-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc21 ZINC001481063758 1179665874 /nfs/dbraw/zinc/66/58/74/1179665874.db2.gz GMGZOYBAPWZXTD-QFBILLFUSA-N 2 2 338.455 2.231 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccccc21 ZINC001481063758 1179665876 /nfs/dbraw/zinc/66/58/76/1179665876.db2.gz GMGZOYBAPWZXTD-QFBILLFUSA-N 2 2 338.455 2.231 10 0 EEAELP CCc1ccc(CC[N@@H+]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001481126099 1179833991 /nfs/dbraw/zinc/83/39/91/1179833991.db2.gz MJQIHNUNGAVXNU-LJQANCHMSA-N 2 2 340.471 2.126 10 0 EEAELP CCc1ccc(CC[N@H+]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001481126099 1179834001 /nfs/dbraw/zinc/83/40/01/1179834001.db2.gz MJQIHNUNGAVXNU-LJQANCHMSA-N 2 2 340.471 2.126 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267778624 1180512760 /nfs/dbraw/zinc/51/27/60/1180512760.db2.gz DXXBRTJIDCVSCM-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267778624 1180512764 /nfs/dbraw/zinc/51/27/64/1180512764.db2.gz DXXBRTJIDCVSCM-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)oc1C ZINC001481286787 1180859070 /nfs/dbraw/zinc/85/90/70/1180859070.db2.gz BAXIPFSMNVNQEG-OAHLLOKOSA-N 2 2 336.480 2.104 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001268153001 1181843561 /nfs/dbraw/zinc/84/35/61/1181843561.db2.gz FZMIRROLRWTKKS-IAGOWNOFSA-N 2 2 330.476 2.216 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(Cl)c1)NC(=O)Cc1c[nH+]cn1C ZINC001268413553 1182564214 /nfs/dbraw/zinc/56/42/14/1182564214.db2.gz GXQHHSDWQMRTIF-ZDUSSCGKSA-N 2 2 334.851 2.301 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1C)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001268488410 1182969653 /nfs/dbraw/zinc/96/96/53/1182969653.db2.gz DTAKZTZQLQKVMI-UHFFFAOYSA-N 2 2 347.503 2.044 10 0 EEAELP C[C@@](C[NH2+]CCC1CC1)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001481933602 1182982302 /nfs/dbraw/zinc/98/23/02/1182982302.db2.gz MNOGXSYXNQXSNH-BEFAXECRSA-N 2 2 330.476 2.120 10 0 EEAELP CCCCOCC[NH2+]C[C@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001482060068 1183268652 /nfs/dbraw/zinc/26/86/52/1183268652.db2.gz XWHXPBPIXDGURO-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP Cc1cc(C)c(C(=O)NC/C=C/C[NH2+]CC2CCOCC2)c(C)[nH+]1 ZINC001268571301 1183295896 /nfs/dbraw/zinc/29/58/96/1183295896.db2.gz WTMDUTNYOXNARC-SNAWJCMRSA-N 2 2 331.460 2.309 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]Cc3ccccn3)ccn12 ZINC001268792700 1183706816 /nfs/dbraw/zinc/70/68/16/1183706816.db2.gz BOLZUFRORADOHR-UHFFFAOYSA-N 2 2 337.427 2.290 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001268803944 1183722069 /nfs/dbraw/zinc/72/20/69/1183722069.db2.gz UWPQDNRQWJWBCC-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP CO[C@H](C[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001268808938 1183728222 /nfs/dbraw/zinc/72/82/22/1183728222.db2.gz UFNVSIQIERJZJQ-QGZVFWFLSA-N 2 2 344.459 2.201 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1CC ZINC001269173992 1184029880 /nfs/dbraw/zinc/02/98/80/1184029880.db2.gz HHHWYGQJVLIHLZ-CVEARBPZSA-N 2 2 344.459 2.201 10 0 EEAELP CC[C@@H](F)C[NH2+]C1(CNC(=O)Cc2c[nH+]ccc2OC)CCCC1 ZINC001482222518 1184298289 /nfs/dbraw/zinc/29/82/89/1184298289.db2.gz NDQJJGZZIHCMGG-OAHLLOKOSA-N 2 2 337.439 2.399 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001271295110 1186122563 /nfs/dbraw/zinc/12/25/63/1186122563.db2.gz SUERZTHKLRLXCV-FYFCFCJWSA-N 2 2 338.883 2.397 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(Cl)s1)C(=O)Cn1cc[nH+]c1 ZINC001482655121 1187496843 /nfs/dbraw/zinc/49/68/43/1187496843.db2.gz VGBFSXTZYUSTTG-UHFFFAOYSA-N 2 2 326.853 2.188 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc(Cl)s1)C(=O)Cn1cc[nH+]c1 ZINC001482655121 1187496845 /nfs/dbraw/zinc/49/68/45/1187496845.db2.gz VGBFSXTZYUSTTG-UHFFFAOYSA-N 2 2 326.853 2.188 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)oc1C ZINC001483070844 1188419632 /nfs/dbraw/zinc/41/96/32/1188419632.db2.gz SPBPGOCMJDCPJF-DKRLNXSXSA-N 2 2 348.491 2.316 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)oc1C ZINC001483070844 1188419636 /nfs/dbraw/zinc/41/96/36/1188419636.db2.gz SPBPGOCMJDCPJF-DKRLNXSXSA-N 2 2 348.491 2.316 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001272872872 1193586737 /nfs/dbraw/zinc/58/67/37/1193586737.db2.gz DNIJMLDYNLEXOV-RDJZCZTQSA-N 2 2 326.444 2.130 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1COCC[N@@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001272901222 1193596960 /nfs/dbraw/zinc/59/69/60/1193596960.db2.gz FEVSPSOLEKTUQB-ROUUACIJSA-N 2 2 337.508 2.034 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1COCC[N@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001272901222 1193596962 /nfs/dbraw/zinc/59/69/62/1193596962.db2.gz FEVSPSOLEKTUQB-ROUUACIJSA-N 2 2 337.508 2.034 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC/C=C\c1ccccc1 ZINC001485937795 1193651818 /nfs/dbraw/zinc/65/18/18/1193651818.db2.gz JKYOBOUVHUDEJC-DIEDAUMRSA-N 2 2 326.444 2.492 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[C@H]([NH2+]Cc1cncs1)C(C)C ZINC001409763526 1190253055 /nfs/dbraw/zinc/25/30/55/1190253055.db2.gz OOCMGJDCTWMTKK-HNNXBMFYSA-N 2 2 349.504 2.380 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483339411 1190371267 /nfs/dbraw/zinc/37/12/67/1190371267.db2.gz GNLDOHGKDDIIAG-CQSZACIVSA-N 2 2 346.500 2.460 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccsc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483339411 1190371272 /nfs/dbraw/zinc/37/12/72/1190371272.db2.gz GNLDOHGKDDIIAG-CQSZACIVSA-N 2 2 346.500 2.460 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2C2CCCC2)on1 ZINC001483346978 1190382025 /nfs/dbraw/zinc/38/20/25/1190382025.db2.gz GWWQFLKMNOSKAK-MAUKXSAKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2C2CCCC2)on1 ZINC001483346978 1190382030 /nfs/dbraw/zinc/38/20/30/1190382030.db2.gz GWWQFLKMNOSKAK-MAUKXSAKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001483346978 1190382035 /nfs/dbraw/zinc/38/20/35/1190382035.db2.gz GWWQFLKMNOSKAK-MAUKXSAKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)on1 ZINC001483346978 1190382041 /nfs/dbraw/zinc/38/20/41/1190382041.db2.gz GWWQFLKMNOSKAK-MAUKXSAKSA-N 2 2 348.491 2.327 10 0 EEAELP C[C@H](C[N@H+](C)CC[C@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001483426553 1190473589 /nfs/dbraw/zinc/47/35/89/1190473589.db2.gz FAEOTJMNPNQPNP-SJLPKXTDSA-N 2 2 340.471 2.440 10 0 EEAELP C[C@H](C[N@@H+](C)CC[C@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001483426553 1190473591 /nfs/dbraw/zinc/47/35/91/1190473591.db2.gz FAEOTJMNPNQPNP-SJLPKXTDSA-N 2 2 340.471 2.440 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]Cc2ccccn2)CCCCC1 ZINC001409801414 1190633138 /nfs/dbraw/zinc/63/31/38/1190633138.db2.gz LORYNWFCRINQNP-UHFFFAOYSA-N 2 2 341.459 2.265 10 0 EEAELP Cc1ncsc1CC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001483684804 1190747964 /nfs/dbraw/zinc/74/79/64/1190747964.db2.gz YTIAOCZGRDCQAD-UKRRQHHQSA-N 2 2 347.488 2.032 10 0 EEAELP Cc1ncsc1CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001483684804 1190747966 /nfs/dbraw/zinc/74/79/66/1190747966.db2.gz YTIAOCZGRDCQAD-UKRRQHHQSA-N 2 2 347.488 2.032 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]C1(CNC(=O)CCn2cc[nH+]c2)CC1 ZINC001483757371 1190983414 /nfs/dbraw/zinc/98/34/14/1190983414.db2.gz OZAHNSYCERYSCK-UHFFFAOYSA-N 2 2 345.447 2.132 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001483801388 1191043180 /nfs/dbraw/zinc/04/31/80/1191043180.db2.gz IKSHOUDIGZAWDG-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001483801388 1191043183 /nfs/dbraw/zinc/04/31/83/1191043183.db2.gz IKSHOUDIGZAWDG-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001483947776 1191127334 /nfs/dbraw/zinc/12/73/34/1191127334.db2.gz WXIBJMFQJDQMTD-LPHOPBHVSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001483947776 1191127335 /nfs/dbraw/zinc/12/73/35/1191127335.db2.gz WXIBJMFQJDQMTD-LPHOPBHVSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484073090 1191193991 /nfs/dbraw/zinc/19/39/91/1191193991.db2.gz IOWLUZZPGBQLJD-LJQANCHMSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484073090 1191193992 /nfs/dbraw/zinc/19/39/92/1191193992.db2.gz IOWLUZZPGBQLJD-LJQANCHMSA-N 2 2 348.491 2.330 10 0 EEAELP C[C@]1(C[NH2+]CCCc2ccccc2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484120120 1191220456 /nfs/dbraw/zinc/22/04/56/1191220456.db2.gz QSVZZJRZXLOLFQ-HXUWFJFHSA-N 2 2 340.471 2.413 10 0 EEAELP CO[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001484390435 1191324928 /nfs/dbraw/zinc/32/49/28/1191324928.db2.gz CVUMFLOCCLPHFL-HSFUPAIVSA-N 2 2 348.491 2.228 10 0 EEAELP CO[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C2 ZINC001484390435 1191324930 /nfs/dbraw/zinc/32/49/30/1191324930.db2.gz CVUMFLOCCLPHFL-HSFUPAIVSA-N 2 2 348.491 2.228 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484523920 1191397823 /nfs/dbraw/zinc/39/78/23/1191397823.db2.gz XCMVRAXNTDTOTE-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484523920 1191397825 /nfs/dbraw/zinc/39/78/25/1191397825.db2.gz XCMVRAXNTDTOTE-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@H](CC[NH2+]CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001484540530 1191406055 /nfs/dbraw/zinc/40/60/55/1191406055.db2.gz DDPFZSPUIRGPFX-WMZOPIPTSA-N 2 2 348.491 2.089 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)CC2)c(C)o1 ZINC001484717590 1191481455 /nfs/dbraw/zinc/48/14/55/1191481455.db2.gz CGUJBNYVLNHEKN-MRXNPFEDSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)CC2)c(C)o1 ZINC001484717590 1191481456 /nfs/dbraw/zinc/48/14/56/1191481456.db2.gz CGUJBNYVLNHEKN-MRXNPFEDSA-N 2 2 345.447 2.049 10 0 EEAELP C[C@@H](CC(=O)N1CCC(C)([NH2+]CC[C@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001484924225 1191577111 /nfs/dbraw/zinc/57/71/11/1191577111.db2.gz LIEAZBAVMBRMRO-IRXDYDNUSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001485216071 1191688951 /nfs/dbraw/zinc/68/89/51/1191688951.db2.gz OOQLHTCNFSONQB-MNOVXSKESA-N 2 2 340.880 2.361 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001485336205 1191740623 /nfs/dbraw/zinc/74/06/23/1191740623.db2.gz KREXITZUCREMQF-KBPBESRZSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001485336205 1191740625 /nfs/dbraw/zinc/74/06/25/1191740625.db2.gz KREXITZUCREMQF-KBPBESRZSA-N 2 2 328.407 2.145 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccon1 ZINC001485486570 1191809494 /nfs/dbraw/zinc/80/94/94/1191809494.db2.gz XGYNJBCTEVGEBA-QGZVFWFLSA-N 2 2 336.480 2.267 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@H]1CCCCC[N@H+]1Cc1ccon1 ZINC001485486570 1191809495 /nfs/dbraw/zinc/80/94/95/1191809495.db2.gz XGYNJBCTEVGEBA-QGZVFWFLSA-N 2 2 336.480 2.267 10 0 EEAELP COCCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001486178945 1193717060 /nfs/dbraw/zinc/71/70/60/1193717060.db2.gz WOCHDTFDXVHLSQ-ZFWWWQNUSA-N 2 2 330.432 2.182 10 0 EEAELP COCCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001486178945 1193717062 /nfs/dbraw/zinc/71/70/62/1193717062.db2.gz WOCHDTFDXVHLSQ-ZFWWWQNUSA-N 2 2 330.432 2.182 10 0 EEAELP Cc1ccncc1C[N@@H+](C)CCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC001486372484 1193876323 /nfs/dbraw/zinc/87/63/23/1193876323.db2.gz BISCMIBLWRLMJN-UHFFFAOYSA-N 2 2 343.475 2.346 10 0 EEAELP Cc1ccncc1C[N@H+](C)CCN(C(=O)CCn1cc[nH+]c1)C(C)C ZINC001486372484 1193876327 /nfs/dbraw/zinc/87/63/27/1193876327.db2.gz BISCMIBLWRLMJN-UHFFFAOYSA-N 2 2 343.475 2.346 10 0 EEAELP Cc1[nH+]ccn1CCCO[NH+]=C(N)[C@@H]1CCC(=O)N(CC2CCC2)C1 ZINC000871770568 1197889731 /nfs/dbraw/zinc/88/97/31/1197889731.db2.gz FNYICGDJKWYWQW-MRXNPFEDSA-N 2 2 347.463 2.119 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]CC[C@H](O)C(F)F)CC2)cc1 ZINC000865687315 1198333452 /nfs/dbraw/zinc/33/34/52/1198333452.db2.gz BCDPMPFXWAJOTJ-INIZCTEOSA-N 2 2 327.419 2.327 10 0 EEAELP CCN(CC[NH2+]CC1CC(C)C1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001273390481 1198453963 /nfs/dbraw/zinc/45/39/63/1198453963.db2.gz YMVOFSOCMIBKQL-UHFFFAOYSA-N 2 2 332.492 2.246 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000870979778 1200987357 /nfs/dbraw/zinc/98/73/57/1200987357.db2.gz RMTXXFWGDWEPIR-IBGZPJMESA-N 2 2 338.455 2.329 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000870979778 1200987359 /nfs/dbraw/zinc/98/73/59/1200987359.db2.gz RMTXXFWGDWEPIR-IBGZPJMESA-N 2 2 338.455 2.329 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)s1 ZINC001274810140 1205175054 /nfs/dbraw/zinc/17/50/54/1205175054.db2.gz GDXHJZZQAWSVJR-SNVBAGLBSA-N 2 2 329.429 2.236 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccsc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001274925624 1205208488 /nfs/dbraw/zinc/20/84/88/1205208488.db2.gz JPOGDGDLKJMACF-FVQBIDKESA-N 2 2 346.500 2.312 10 0 EEAELP CCOCCC[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001275250304 1205291032 /nfs/dbraw/zinc/29/10/32/1205291032.db2.gz GXEDPVGXHDCQAS-UHFFFAOYSA-N 2 2 330.432 2.088 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccc3[nH+]ccn32)sn1 ZINC001275449597 1205365973 /nfs/dbraw/zinc/36/59/73/1205365973.db2.gz AKZKXIILSOXXOZ-STQMWFEESA-N 2 2 343.456 2.396 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001275780646 1205524138 /nfs/dbraw/zinc/52/41/38/1205524138.db2.gz KNJOLLHSPCQLAY-ZIAGYGMSSA-N 2 2 346.397 2.490 10 0 EEAELP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCOC23CCOCC3)c[nH+]1 ZINC000924626777 1206006456 /nfs/dbraw/zinc/00/64/56/1206006456.db2.gz XPXBSSUGZPLHFE-GOSISDBHSA-N 2 2 327.428 2.359 10 0 EEAELP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000924718180 1206023605 /nfs/dbraw/zinc/02/36/05/1206023605.db2.gz MNYGVYSSIFQSER-MOPGFXCFSA-N 2 2 345.487 2.308 10 0 EEAELP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000924718180 1206023608 /nfs/dbraw/zinc/02/36/08/1206023608.db2.gz MNYGVYSSIFQSER-MOPGFXCFSA-N 2 2 345.487 2.308 10 0 EEAELP O=C(CCc1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C23CCC3)C1 ZINC000925551549 1206126487 /nfs/dbraw/zinc/12/64/87/1206126487.db2.gz HLJJMWKIPONLQG-QZTJIDSGSA-N 2 2 327.472 2.094 10 0 EEAELP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925667698 1206142025 /nfs/dbraw/zinc/14/20/25/1206142025.db2.gz DWRNCOJMPYHJCF-NEWSRXKRSA-N 3 2 346.519 2.278 10 0 EEAELP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000925792201 1206154263 /nfs/dbraw/zinc/15/42/63/1206154263.db2.gz DXJZXPIECTWWDI-WMLDXEAASA-N 2 2 343.471 2.381 10 0 EEAELP c1nnc([C@H]([NH2+]CCCCCC2CC[NH2+]CC2)c2cccnc2)[nH]1 ZINC000925809383 1206156448 /nfs/dbraw/zinc/15/64/48/1206156448.db2.gz UJTDPSOENUZYKQ-QGZVFWFLSA-N 2 2 328.464 2.439 10 0 EEAELP C[C@](O)(C[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)(F)C(F)(F)F ZINC000929836846 1206507123 /nfs/dbraw/zinc/50/71/23/1206507123.db2.gz SMGSZDDTHZPZGI-LBPRGKRZSA-N 2 2 339.308 2.152 10 0 EEAELP O=[S@@](CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000931708215 1207445711 /nfs/dbraw/zinc/44/57/11/1207445711.db2.gz YISYQVFQRLZHTN-DMZKTXOQSA-N 2 2 331.363 2.483 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@@H](C(F)F)CC1=O ZINC000795452521 1212803251 /nfs/dbraw/zinc/80/32/51/1212803251.db2.gz OIDRVMSVUMGENW-ZDUSSCGKSA-N 2 2 328.407 2.229 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@@H](C(F)F)CC1=O ZINC000795452521 1212803255 /nfs/dbraw/zinc/80/32/55/1212803255.db2.gz OIDRVMSVUMGENW-ZDUSSCGKSA-N 2 2 328.407 2.229 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC001276352889 1213896548 /nfs/dbraw/zinc/89/65/48/1213896548.db2.gz LAJMWEVNDUCMAZ-KRWDZBQOSA-N 2 2 326.444 2.386 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000305630910 1216817461 /nfs/dbraw/zinc/81/74/61/1216817461.db2.gz MMGHFRQPPKZCOD-SJORKVTESA-N 2 2 333.432 2.389 10 0 EEAELP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000305630910 1216817471 /nfs/dbraw/zinc/81/74/71/1216817471.db2.gz MMGHFRQPPKZCOD-SJORKVTESA-N 2 2 333.432 2.389 10 0 EEAELP COCC(COC)[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001413048663 1218126182 /nfs/dbraw/zinc/12/61/82/1218126182.db2.gz WCXQHZFIUORAHH-PMACEKPBSA-N 2 2 332.488 2.492 10 0 EEAELP CCC[N@H+](C[C@H](O)C(C)(C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001413081488 1233981954 /nfs/dbraw/zinc/98/19/54/1233981954.db2.gz AQAUFWJIWQLXSS-IBGZPJMESA-N 2 2 334.504 2.495 10 0 EEAELP CCC[N@@H+](C[C@H](O)C(C)(C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001413081488 1233981961 /nfs/dbraw/zinc/98/19/61/1233981961.db2.gz AQAUFWJIWQLXSS-IBGZPJMESA-N 2 2 334.504 2.495 10 0 EEAELP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900630401 1234585684 /nfs/dbraw/zinc/58/56/84/1234585684.db2.gz MEFBWYLCTPUALC-MRXNPFEDSA-N 2 2 341.459 2.067 10 0 EEAELP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900630401 1234585688 /nfs/dbraw/zinc/58/56/88/1234585688.db2.gz MEFBWYLCTPUALC-MRXNPFEDSA-N 2 2 341.459 2.067 10 0 EEAELP C[C@H](C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)N1CC[NH+](C)CC1 ZINC000902793362 1238543245 /nfs/dbraw/zinc/54/32/45/1238543245.db2.gz IKIYBZUFRPVYKT-IAGOWNOFSA-N 3 2 327.476 2.159 10 0 EEAELP CCCn1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nn1 ZINC000902948696 1239165299 /nfs/dbraw/zinc/16/52/99/1239165299.db2.gz VFVQNYRBEOUCQD-CRAIPNDOSA-N 2 2 343.475 2.106 10 0 EEAELP CCCn1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)nn1 ZINC000902948696 1239165300 /nfs/dbraw/zinc/16/53/00/1239165300.db2.gz VFVQNYRBEOUCQD-CRAIPNDOSA-N 2 2 343.475 2.106 10 0 EEAELP c1[nH]nc(-c2ccccc2)c1C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974572 1242812453 /nfs/dbraw/zinc/81/24/53/1242812453.db2.gz QTLQUFGUAMLVGU-QGZVFWFLSA-N 2 2 326.444 2.325 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CCCc2c(F)cccc2F)C1 ZINC001490959828 1258510765 /nfs/dbraw/zinc/51/07/65/1258510765.db2.gz HLMIVQHQRDCWES-HDJSIYSDSA-N 2 2 348.397 2.031 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001491085418 1258650928 /nfs/dbraw/zinc/65/09/28/1258650928.db2.gz MPLNSUNFZWJVBC-CALCHBBNSA-N 2 2 344.434 2.282 10 0 EEAELP CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001491506812 1259157185 /nfs/dbraw/zinc/15/71/85/1259157185.db2.gz FOKGJTNKFSGZMF-MAUKXSAKSA-N 2 2 340.471 2.302 10 0 EEAELP CCN(CC[NH2+]CC[C@H]1CCCO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001273459649 1278450467 /nfs/dbraw/zinc/45/04/67/1278450467.db2.gz XBDMEVYQFQJZIJ-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP CN(C(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001490410067 1291322351 /nfs/dbraw/zinc/32/23/51/1291322351.db2.gz XWFGOLQYESIWHY-GOSISDBHSA-N 2 2 348.491 2.224 10 0 EEAELP CN(C(=O)CCc1c[nH+]c[nH]1)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001490410067 1291322360 /nfs/dbraw/zinc/32/23/60/1291322360.db2.gz XWFGOLQYESIWHY-GOSISDBHSA-N 2 2 348.491 2.224 10 0 EEAELP O=C(NC[C@@H]([NH2+]CCOC1CCC1)C1CC1)c1cccc2[nH+]ccn21 ZINC001490686428 1291618367 /nfs/dbraw/zinc/61/83/67/1291618367.db2.gz GZPCSLWOGCDLBB-MRXNPFEDSA-N 2 2 342.443 2.001 10 0 EEAELP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001490793936 1291738788 /nfs/dbraw/zinc/73/87/88/1291738788.db2.gz RHVKXGKSIDTWTR-YESZJQIVSA-N 2 2 330.476 2.311 10 0 EEAELP CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001490793936 1291738792 /nfs/dbraw/zinc/73/87/92/1291738792.db2.gz RHVKXGKSIDTWTR-YESZJQIVSA-N 2 2 330.476 2.311 10 0 EEAELP Cc1ccccc1[C@@H](O)C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000852042462 1291968389 /nfs/dbraw/zinc/96/83/89/1291968389.db2.gz WVUWXAHFCJICMT-QUCCMNQESA-N 2 2 334.504 2.442 10 0 EEAELP Cc1ccccc1[C@@H](O)C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000852042462 1291968393 /nfs/dbraw/zinc/96/83/93/1291968393.db2.gz WVUWXAHFCJICMT-QUCCMNQESA-N 2 2 334.504 2.442 10 0 EEAELP CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)[C@@H](C[NH2+]CCF)C1CC1 ZINC001277678325 1304165072 /nfs/dbraw/zinc/16/50/72/1304165072.db2.gz TVISGBXJDSLHSS-KRWDZBQOSA-N 2 2 330.407 2.282 10 0 EEAELP C[NH+](C)CCCNC(=S)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000799900464 1305493233 /nfs/dbraw/zinc/49/32/33/1305493233.db2.gz JIAMVLGOCDGCRF-OAHLLOKOSA-N 2 2 349.548 2.225 10 0 EEAELP COCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278395412 1310017968 /nfs/dbraw/zinc/01/79/68/1310017968.db2.gz 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Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCCOC(C)C)C3)ccn12 ZINC001566663263 1342595526 /nfs/dbraw/zinc/59/55/26/1342595526.db2.gz WZNRTHQRZDIUIE-QGZVFWFLSA-N 2 2 344.459 2.262 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCCOC(C)C)C3)ccn12 ZINC001566663263 1342595533 /nfs/dbraw/zinc/59/55/33/1342595533.db2.gz WZNRTHQRZDIUIE-QGZVFWFLSA-N 2 2 344.459 2.262 10 0 EEAELP O=C(NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001566714983 1342611297 /nfs/dbraw/zinc/61/12/97/1342611297.db2.gz RCZDSCYXHXQVQE-QZTJIDSGSA-N 2 2 342.487 2.430 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CCC3CC3)C2)c[nH+]1 ZINC001569841317 1342956147 /nfs/dbraw/zinc/95/61/47/1342956147.db2.gz QJCPSPGUMNKYAH-PBHICJAKSA-N 2 2 332.492 2.411 10 0 EEAELP CN(C(=O)Cc1c[nH+]c[nH]1)C1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001570664165 1343098769 /nfs/dbraw/zinc/09/87/69/1343098769.db2.gz BGQACJNUQFBDFI-KLHKWILBSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001571143721 1343165053 /nfs/dbraw/zinc/16/50/53/1343165053.db2.gz IOTPGPIZLCBXLJ-ZGXGBBTLSA-N 2 2 338.455 2.471 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001676762825 1357195710 /nfs/dbraw/zinc/19/57/10/1357195710.db2.gz OKSBRHAJWXRYAX-YJBOKZPZSA-N 2 2 326.444 2.164 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001677636576 1357380324 /nfs/dbraw/zinc/38/03/24/1357380324.db2.gz OZSITZGVBRZGDT-UHFFFAOYSA-N 2 2 342.418 2.279 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001677636576 1357380328 /nfs/dbraw/zinc/38/03/28/1357380328.db2.gz OZSITZGVBRZGDT-UHFFFAOYSA-N 2 2 342.418 2.279 10 0 EEAELP CNc1cc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc[nH+]1 ZINC001646963390 1353075954 /nfs/dbraw/zinc/07/59/54/1353075954.db2.gz MDBGZAAIGYBOPX-INIZCTEOSA-N 2 2 331.464 2.283 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1c1nnc(N2CC[NH+](C3CC3)CC2)n1CC1CC1 ZINC001649273062 1353450269 /nfs/dbraw/zinc/45/02/69/1353450269.db2.gz UHMCYZYLUOEZHZ-QGZVFWFLSA-N 2 2 344.507 2.129 10 0 EEAELP C[N@H+]1CCCC[C@@H]1c1nnc(N2CC[NH+](C3CC3)CC2)n1CC1CC1 ZINC001649273062 1353450272 /nfs/dbraw/zinc/45/02/72/1353450272.db2.gz UHMCYZYLUOEZHZ-QGZVFWFLSA-N 2 2 344.507 2.129 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]Cc1cccnc1 ZINC001656447835 1354238170 /nfs/dbraw/zinc/23/81/70/1354238170.db2.gz KHQYULAKTFKBHK-YJBOKZPZSA-N 2 2 341.459 2.154 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@@H]1CC[C@@H](C)O1 ZINC001660558382 1354489671 /nfs/dbraw/zinc/48/96/71/1354489671.db2.gz WMCIRWPGHAHQAD-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@@H]1CC[C@@H](C)O1 ZINC001660558382 1354489674 /nfs/dbraw/zinc/48/96/74/1354489674.db2.gz WMCIRWPGHAHQAD-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1cccc(Cl)n1)C1CC1 ZINC001661152422 1354598201 /nfs/dbraw/zinc/59/82/01/1354598201.db2.gz PYUNWZCYLONKNK-OAHLLOKOSA-N 2 2 347.850 2.006 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001661666080 1354670604 /nfs/dbraw/zinc/67/06/04/1354670604.db2.gz SZLWXHDSIKTKAQ-CALCHBBNSA-N 2 2 326.444 2.130 10 0 EEAELP COCCCC[NH2+]C[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001662650633 1354819930 /nfs/dbraw/zinc/81/99/30/1354819930.db2.gz SSECXNIKJGLOPK-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001662717984 1354830776 /nfs/dbraw/zinc/83/07/76/1354830776.db2.gz ORFUQTQOHWTEII-CQSZACIVSA-N 2 2 332.473 2.003 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663991935 1355069204 /nfs/dbraw/zinc/06/92/04/1355069204.db2.gz FEWSTHOBDZQUAK-IAGOWNOFSA-N 2 2 326.444 2.194 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001663991935 1355069206 /nfs/dbraw/zinc/06/92/06/1355069206.db2.gz FEWSTHOBDZQUAK-IAGOWNOFSA-N 2 2 326.444 2.194 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]CCc1ccccc1F)n1cc[nH+]c1 ZINC001664218011 1355116292 /nfs/dbraw/zinc/11/62/92/1355116292.db2.gz WLLSJSUEHIHPKT-HNNXBMFYSA-N 2 2 332.423 2.264 10 0 EEAELP Cc1cccc(OCC[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001664309571 1355136263 /nfs/dbraw/zinc/13/62/63/1355136263.db2.gz VXLNQDQJRVFECK-UHFFFAOYSA-N 2 2 344.459 2.123 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC(CC[NH2+]Cc2ccsc2)CC1 ZINC001666252283 1355495276 /nfs/dbraw/zinc/49/52/76/1355495276.db2.gz ALRANNXIJWUAOM-UHFFFAOYSA-N 2 2 332.473 2.432 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001667289887 1355699409 /nfs/dbraw/zinc/69/94/09/1355699409.db2.gz BVIKPIIHYBCQAN-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)Cc1[nH]c[nH+]c1C ZINC001668625910 1355974897 /nfs/dbraw/zinc/97/48/97/1355974897.db2.gz ABZONAANUCBTGI-UHFFFAOYSA-N 2 2 332.423 2.346 10 0 EEAELP C[C@H](C[NH2+]CCc1ccc2ccccc2c1)NC(=O)Cn1cc[nH+]c1 ZINC001669485475 1356165293 /nfs/dbraw/zinc/16/52/93/1356165293.db2.gz IBEVNPAMJADKPA-MRXNPFEDSA-N 2 2 336.439 2.373 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001669625869 1356185800 /nfs/dbraw/zinc/18/58/00/1356185800.db2.gz BOPCOONHUOHJSK-MAUKXSAKSA-N 2 2 342.443 2.149 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)C(C)(C)n2c[nH+]c(C)c2)sn1 ZINC001670138180 1356283165 /nfs/dbraw/zinc/28/31/65/1356283165.db2.gz GOMVQFGEOJFXGI-UHFFFAOYSA-N 2 2 349.504 2.330 10 0 EEAELP COCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001671598509 1356369804 /nfs/dbraw/zinc/36/98/04/1356369804.db2.gz MMGUQPLZBZIHLC-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP COCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001671598509 1356369809 /nfs/dbraw/zinc/36/98/09/1356369809.db2.gz MMGUQPLZBZIHLC-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP C[C@@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001671814774 1356420331 /nfs/dbraw/zinc/42/03/31/1356420331.db2.gz DJTPFZUEGZEKQJ-HNNXBMFYSA-N 2 2 346.397 2.444 10 0 EEAELP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCC(F)(F)F ZINC001672326683 1356501828 /nfs/dbraw/zinc/50/18/28/1356501828.db2.gz DFTXUZNFACRPEG-RYUDHWBXSA-N 2 2 346.397 2.324 10 0 EEAELP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001673886969 1356755039 /nfs/dbraw/zinc/75/50/39/1356755039.db2.gz YCACDMUSAQMUPZ-JKSUJKDBSA-N 2 2 344.459 2.200 10 0 EEAELP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1cscn1 ZINC001674495674 1356846881 /nfs/dbraw/zinc/84/68/81/1356846881.db2.gz LSJWDOIKFMVHOR-MRXNPFEDSA-N 2 2 338.521 2.298 10 0 EEAELP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1cscn1 ZINC001674495674 1356846885 /nfs/dbraw/zinc/84/68/85/1356846885.db2.gz LSJWDOIKFMVHOR-MRXNPFEDSA-N 2 2 338.521 2.298 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@H+](C)CCc1ccns1 ZINC001674947787 1356914684 /nfs/dbraw/zinc/91/46/84/1356914684.db2.gz DEVNTOUNKHSQMI-LBPRGKRZSA-N 2 2 343.456 2.312 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[N@@H+](C)CCc1ccns1 ZINC001674947787 1356914687 /nfs/dbraw/zinc/91/46/87/1356914687.db2.gz DEVNTOUNKHSQMI-LBPRGKRZSA-N 2 2 343.456 2.312 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)o1 ZINC001699545580 1405379502 /nfs/dbraw/zinc/37/95/02/1405379502.db2.gz WCAMWBREDLUIHQ-CYBMUJFWSA-N 2 2 333.436 2.183 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CC(Cc2cccc(Br)c2)C1 ZINC000905980088 783614942 /nfs/dbraw/zinc/61/49/42/783614942.db2.gz ZEMOLNLGBVYDRG-MRXNPFEDSA-N 2 2 341.293 2.236 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC(Cc2cccc(Br)c2)C1 ZINC000905980088 783614951 /nfs/dbraw/zinc/61/49/51/783614951.db2.gz ZEMOLNLGBVYDRG-MRXNPFEDSA-N 2 2 341.293 2.236 10 0 EEAELP C/C(=C/C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000907955492 784983909 /nfs/dbraw/zinc/98/39/09/784983909.db2.gz WLKFKQYTFMQNDD-RBAUTDOXSA-N 2 2 349.519 2.178 10 0 EEAELP C/C(=C/C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C[NH+]1CCOCC1 ZINC000907955492 784983913 /nfs/dbraw/zinc/98/39/13/784983913.db2.gz WLKFKQYTFMQNDD-RBAUTDOXSA-N 2 2 349.519 2.178 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817977917 785126400 /nfs/dbraw/zinc/12/64/00/785126400.db2.gz RILGQUJVPHNUMX-UTLUCORTSA-N 2 2 336.404 2.078 10 0 EEAELP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000912647965 788280419 /nfs/dbraw/zinc/28/04/19/788280419.db2.gz CAQZQHKHTJIOFB-NVXWUHKLSA-N 2 2 332.492 2.483 10 0 EEAELP C[NH+]1C[C@]2(C)CN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C[C@@]2(C)C1 ZINC000913288243 788764053 /nfs/dbraw/zinc/76/40/53/788764053.db2.gz CBQZOXXLPOYTTP-WOJBJXKFSA-N 2 2 338.455 2.345 10 0 EEAELP CC(C)[C@]1(C)CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000151808034 794181283 /nfs/dbraw/zinc/18/12/83/794181283.db2.gz LCVQFCHOVVECLR-IBGZPJMESA-N 2 2 335.492 2.173 10 0 EEAELP COC(=O)[C@H](C)[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000952995441 796183084 /nfs/dbraw/zinc/18/30/84/796183084.db2.gz MEROEFKZMBGIRV-IRXDYDNUSA-N 2 2 346.471 2.303 10 0 EEAELP COC(=O)[C@H](C)[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000952995441 796183086 /nfs/dbraw/zinc/18/30/86/796183086.db2.gz MEROEFKZMBGIRV-IRXDYDNUSA-N 2 2 346.471 2.303 10 0 EEAELP O=C(O[C@@H]1CC[N@@H+](CCF)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805937411 811672635 /nfs/dbraw/zinc/67/26/35/811672635.db2.gz AFTVPEABSYOJDC-GOSISDBHSA-N 2 2 334.435 2.486 10 0 EEAELP O=C(O[C@@H]1CC[N@H+](CCF)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000805937411 811672642 /nfs/dbraw/zinc/67/26/42/811672642.db2.gz AFTVPEABSYOJDC-GOSISDBHSA-N 2 2 334.435 2.486 10 0 EEAELP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2F)C1)n1cc[nH+]c1 ZINC001436742786 1088226332 /nfs/dbraw/zinc/22/63/32/1088226332.db2.gz LEBPJZDKDBORAV-GDBMZVCRSA-N 2 2 330.407 2.364 10 0 EEAELP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2F)C1)n1cc[nH+]c1 ZINC001436742786 1088226340 /nfs/dbraw/zinc/22/63/40/1088226340.db2.gz LEBPJZDKDBORAV-GDBMZVCRSA-N 2 2 330.407 2.364 10 0 EEAELP CC[N@H+](C)CCC(=O)NCC[NH+](C)Cc1cccc(F)c1Cl ZINC001437538840 1089985582 /nfs/dbraw/zinc/98/55/82/1089985582.db2.gz SIFUUUKMCOHDAH-UHFFFAOYSA-N 2 2 329.847 2.369 10 0 EEAELP CC[N@@H+](C)CCC(=O)NCC[NH+](C)Cc1cccc(F)c1Cl ZINC001437538840 1089985596 /nfs/dbraw/zinc/98/55/96/1089985596.db2.gz SIFUUUKMCOHDAH-UHFFFAOYSA-N 2 2 329.847 2.369 10 0 EEAELP CC[NH+](C)CCC(=O)NCC[N@H+](C)Cc1cccc(F)c1Cl ZINC001437538840 1089985609 /nfs/dbraw/zinc/98/56/09/1089985609.db2.gz SIFUUUKMCOHDAH-UHFFFAOYSA-N 2 2 329.847 2.369 10 0 EEAELP CC[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cccc(F)c1Cl ZINC001437538840 1089985619 /nfs/dbraw/zinc/98/56/19/1089985619.db2.gz SIFUUUKMCOHDAH-UHFFFAOYSA-N 2 2 329.847 2.369 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccnc2)c[nH+]1 ZINC001437682187 1090218808 /nfs/dbraw/zinc/21/88/08/1090218808.db2.gz SIIUYDNRBRRPOX-QGZVFWFLSA-N 2 2 341.459 2.102 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2cccnc2)c[nH+]1 ZINC001437682187 1090218812 /nfs/dbraw/zinc/21/88/12/1090218812.db2.gz SIIUYDNRBRRPOX-QGZVFWFLSA-N 2 2 341.459 2.102 10 0 EEAELP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC001437866346 1090445813 /nfs/dbraw/zinc/44/58/13/1090445813.db2.gz LQTDUYQPECBVEQ-AEFFLSMTSA-N 2 2 326.444 2.303 10 0 EEAELP CCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001438271651 1090754723 /nfs/dbraw/zinc/75/47/23/1090754723.db2.gz FNIQKPHDPCNVHO-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP CCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001438271651 1090754727 /nfs/dbraw/zinc/75/47/27/1090754727.db2.gz FNIQKPHDPCNVHO-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCC1 ZINC001438614906 1091104949 /nfs/dbraw/zinc/10/49/49/1091104949.db2.gz WJTATWQUMXQOLW-ZACQAIPSSA-N 2 2 344.503 2.417 10 0 EEAELP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445401437 1091148811 /nfs/dbraw/zinc/14/88/11/1091148811.db2.gz WLFPJKSGKLQQKK-IAGOWNOFSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](C[NH2+]Cc1csc(C2CCCC2)n1)NC(=O)Cn1cc[nH+]c1 ZINC001439184564 1091832961 /nfs/dbraw/zinc/83/29/61/1091832961.db2.gz JJFWQDVPXFWPJP-CYBMUJFWSA-N 2 2 347.488 2.292 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001439266075 1091920667 /nfs/dbraw/zinc/92/06/67/1091920667.db2.gz QOORHUPMYBHNMT-CVEARBPZSA-N 2 2 328.460 2.500 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001439266075 1091920674 /nfs/dbraw/zinc/92/06/74/1091920674.db2.gz QOORHUPMYBHNMT-CVEARBPZSA-N 2 2 328.460 2.500 10 0 EEAELP CC(C)c1ocnc1C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001439366610 1092094233 /nfs/dbraw/zinc/09/42/33/1092094233.db2.gz NFYBUQIMQIXXFI-GJZGRUSLSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001439366610 1092094243 /nfs/dbraw/zinc/09/42/43/1092094243.db2.gz NFYBUQIMQIXXFI-GJZGRUSLSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439366610 1092094253 /nfs/dbraw/zinc/09/42/53/1092094253.db2.gz NFYBUQIMQIXXFI-GJZGRUSLSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439366610 1092094261 /nfs/dbraw/zinc/09/42/61/1092094261.db2.gz NFYBUQIMQIXXFI-GJZGRUSLSA-N 2 2 336.480 2.076 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)C1CC1 ZINC001439487942 1092303293 /nfs/dbraw/zinc/30/32/93/1092303293.db2.gz IVGPNYLRRFACSZ-IUODEOHRSA-N 2 2 340.418 2.180 10 0 EEAELP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1c(C)nsc1C ZINC001439568012 1092452111 /nfs/dbraw/zinc/45/21/11/1092452111.db2.gz RBHGUXHLORSWKD-HNNXBMFYSA-N 2 2 338.521 2.182 10 0 EEAELP CCC[N@@H+](C)CCC(=O)NC[C@@H]1CC[NH+]1Cc1c(C)nsc1C ZINC001439568012 1092452117 /nfs/dbraw/zinc/45/21/17/1092452117.db2.gz RBHGUXHLORSWKD-HNNXBMFYSA-N 2 2 338.521 2.182 10 0 EEAELP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)nsc1C ZINC001439568012 1092452122 /nfs/dbraw/zinc/45/21/22/1092452122.db2.gz RBHGUXHLORSWKD-HNNXBMFYSA-N 2 2 338.521 2.182 10 0 EEAELP CCC[NH+](C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)nsc1C ZINC001439568012 1092452126 /nfs/dbraw/zinc/45/21/26/1092452126.db2.gz RBHGUXHLORSWKD-HNNXBMFYSA-N 2 2 338.521 2.182 10 0 EEAELP Cc1cccnc1C[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001439574489 1092465400 /nfs/dbraw/zinc/46/54/00/1092465400.db2.gz VBNODXNFOCCQJB-PKOBYXMFSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cccnc1C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001439574489 1092465419 /nfs/dbraw/zinc/46/54/19/1092465419.db2.gz VBNODXNFOCCQJB-PKOBYXMFSA-N 2 2 344.503 2.201 10 0 EEAELP CC(C)c1ccccc1C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2)CC1 ZINC001439687518 1092631673 /nfs/dbraw/zinc/63/16/73/1092631673.db2.gz RVZAEQRWDRNVFU-UHFFFAOYSA-N 2 2 326.444 2.445 10 0 EEAELP CN(C(=O)CC[NH+](C)C)C1C[NH+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001439745793 1092704179 /nfs/dbraw/zinc/70/41/79/1092704179.db2.gz PZDDOZPTCGNBNZ-GOSISDBHSA-N 2 2 333.451 2.297 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001439846902 1092859959 /nfs/dbraw/zinc/85/99/59/1092859959.db2.gz FWUVPLLBQDDJPQ-KBXCAEBGSA-N 2 2 345.447 2.165 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001439846902 1092859961 /nfs/dbraw/zinc/85/99/61/1092859961.db2.gz FWUVPLLBQDDJPQ-KBXCAEBGSA-N 2 2 345.447 2.165 10 0 EEAELP CC(C)[NH+]1CCC(N(Cc2ccccn2)C(=O)Cn2cc[nH+]c2)CC1 ZINC001440126936 1093189200 /nfs/dbraw/zinc/18/92/00/1093189200.db2.gz JDPDWORJTIEWGN-UHFFFAOYSA-N 2 2 341.459 2.180 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\Cl)[NH+]1CCCC1 ZINC001440275436 1093390966 /nfs/dbraw/zinc/39/09/66/1093390966.db2.gz PJZGXUUMHWBPPV-AJKQWTFCSA-N 2 2 327.900 2.392 10 0 EEAELP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\Cl)[NH+]1CCCC1 ZINC001440275436 1093390975 /nfs/dbraw/zinc/39/09/75/1093390975.db2.gz PJZGXUUMHWBPPV-AJKQWTFCSA-N 2 2 327.900 2.392 10 0 EEAELP CC(C)CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001448462529 1093472305 /nfs/dbraw/zinc/47/23/05/1093472305.db2.gz RRBTYGPWROAOCR-RDJZCZTQSA-N 2 2 344.459 2.200 10 0 EEAELP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001440730026 1093976076 /nfs/dbraw/zinc/97/60/76/1093976076.db2.gz HULWXJJSOYGRAF-QGZVFWFLSA-N 2 2 332.492 2.341 10 0 EEAELP CC(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001440730026 1093976079 /nfs/dbraw/zinc/97/60/79/1093976079.db2.gz HULWXJJSOYGRAF-QGZVFWFLSA-N 2 2 332.492 2.341 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC001449063524 1094078813 /nfs/dbraw/zinc/07/88/13/1094078813.db2.gz VVLBFXKLVLEFCF-ZIAGYGMSSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)s1 ZINC001449063524 1094078819 /nfs/dbraw/zinc/07/88/19/1094078819.db2.gz VVLBFXKLVLEFCF-ZIAGYGMSSA-N 2 2 347.488 2.182 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001449362947 1094327542 /nfs/dbraw/zinc/32/75/42/1094327542.db2.gz AFCUULHVRSGXSF-NSHDSACASA-N 2 2 332.370 2.121 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001449364303 1094329443 /nfs/dbraw/zinc/32/94/43/1094329443.db2.gz HVELEXFHFBQNAZ-WMZOPIPTSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](Cc2ccon2)CC1 ZINC001449369662 1094337488 /nfs/dbraw/zinc/33/74/88/1094337488.db2.gz UUSPTKIRWTUIDS-INIZCTEOSA-N 2 2 348.491 2.123 10 0 EEAELP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001441165897 1094516826 /nfs/dbraw/zinc/51/68/26/1094516826.db2.gz HDXUTRLAPQHLGC-CABCVRRESA-N 2 2 332.492 2.245 10 0 EEAELP Cc1cc(C[NH+]2C[C@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C(C)(C)C2)no1 ZINC001441240077 1094626095 /nfs/dbraw/zinc/62/60/95/1094626095.db2.gz GARAOARSNDKYHQ-IRXDYDNUSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[NH+]2C[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C(C)(C)C2)no1 ZINC001441240077 1094626098 /nfs/dbraw/zinc/62/60/98/1094626098.db2.gz GARAOARSNDKYHQ-IRXDYDNUSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[N@H+]2C[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC001441240077 1094626107 /nfs/dbraw/zinc/62/61/07/1094626107.db2.gz GARAOARSNDKYHQ-IRXDYDNUSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)C(C)(C)C2)no1 ZINC001441240077 1094626112 /nfs/dbraw/zinc/62/61/12/1094626112.db2.gz GARAOARSNDKYHQ-IRXDYDNUSA-N 2 2 348.491 2.184 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nocc1C ZINC001441514904 1095209044 /nfs/dbraw/zinc/20/90/44/1095209044.db2.gz WKOJVNNARBLSBS-LSDHHAIUSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001441543067 1095263749 /nfs/dbraw/zinc/26/37/49/1095263749.db2.gz YJJWTWGNGOTVOI-GDBMZVCRSA-N 2 2 347.463 2.403 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H]2C)o1 ZINC001441902976 1096063441 /nfs/dbraw/zinc/06/34/41/1096063441.db2.gz XXSKXULIYAAABW-WMLDXEAASA-N 2 2 345.447 2.129 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)CCCn3cc[nH+]c3)[C@@H]2C)o1 ZINC001441902976 1096063452 /nfs/dbraw/zinc/06/34/52/1096063452.db2.gz XXSKXULIYAAABW-WMLDXEAASA-N 2 2 345.447 2.129 10 0 EEAELP CC(C)N(CC[N@H+](C)CCF)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001442112052 1096341200 /nfs/dbraw/zinc/34/12/00/1096341200.db2.gz RTRHZRXTECTRCP-UHFFFAOYSA-N 2 2 333.411 2.019 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCF)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001442112052 1096341205 /nfs/dbraw/zinc/34/12/05/1096341205.db2.gz RTRHZRXTECTRCP-UHFFFAOYSA-N 2 2 333.411 2.019 10 0 EEAELP CC[C@H](F)C[NH2+][C@@H](C)C1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001443136459 1097563118 /nfs/dbraw/zinc/56/31/18/1097563118.db2.gz FZCJNQBRKWTGDL-HOCLYGCPSA-N 2 2 338.471 2.318 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[NH+](CCC2CCOCC2)C1 ZINC001443469575 1097968040 /nfs/dbraw/zinc/96/80/40/1097968040.db2.gz MJMJSYXWAMTVCO-OAHLLOKOSA-N 2 2 348.491 2.014 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCCC1CCC1 ZINC001479781347 1098968730 /nfs/dbraw/zinc/96/87/30/1098968730.db2.gz VOCBLRXATUABQJ-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCCC1CCC1 ZINC001479781347 1098968735 /nfs/dbraw/zinc/96/87/35/1098968735.db2.gz VOCBLRXATUABQJ-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ncc(C(C)(C)C)o1 ZINC001479812537 1099073826 /nfs/dbraw/zinc/07/38/26/1099073826.db2.gz NVASOXHBIKXGNX-UHFFFAOYSA-N 2 2 336.480 2.006 10 0 EEAELP C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1ncc(C(C)(C)C)o1 ZINC001479812537 1099073836 /nfs/dbraw/zinc/07/38/36/1099073836.db2.gz NVASOXHBIKXGNX-UHFFFAOYSA-N 2 2 336.480 2.006 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001480079322 1099625604 /nfs/dbraw/zinc/62/56/04/1099625604.db2.gz KDOKLEWDLNSAIO-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001480079322 1099625608 /nfs/dbraw/zinc/62/56/08/1099625608.db2.gz KDOKLEWDLNSAIO-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2cncs2)C1)n1cc[nH+]c1 ZINC001480144900 1099713310 /nfs/dbraw/zinc/71/33/10/1099713310.db2.gz QEYVBALJSFBQKN-IIAWOOMASA-N 2 2 347.488 2.364 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001480286069 1099993554 /nfs/dbraw/zinc/99/35/54/1099993554.db2.gz FOKNZCHCSHWDLE-SJORKVTESA-N 2 2 332.492 2.320 10 0 EEAELP CCc1noc(C)c1C[NH2+][C@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001480485506 1100295889 /nfs/dbraw/zinc/29/58/89/1100295889.db2.gz DKZQLWFRQXJIOH-GFCCVEGCSA-N 2 2 347.463 2.080 10 0 EEAELP CCc1ccc(C[NH2+][C@H](C)CNC(=O)Cc2c[nH+]ccc2OC)cc1 ZINC001480486802 1100297406 /nfs/dbraw/zinc/29/74/06/1100297406.db2.gz PFCPAKPBOOCPHG-OAHLLOKOSA-N 2 2 341.455 2.490 10 0 EEAELP CCC[NH+]1CCC2(CO[C@@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001446481765 1100913443 /nfs/dbraw/zinc/91/34/43/1100913443.db2.gz PAXHPPKNYVBYSM-IAGOWNOFSA-N 2 2 348.491 2.232 10 0 EEAELP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC001496898222 1101687207 /nfs/dbraw/zinc/68/72/07/1101687207.db2.gz IVZWEHJPNGTMSG-NVXWUHKLSA-N 2 2 330.407 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1([NH2+]Cc2ccon2)CCC1 ZINC001447200212 1102189072 /nfs/dbraw/zinc/18/90/72/1102189072.db2.gz PKFKCHXSZRSPAH-CQSZACIVSA-N 2 2 345.447 2.213 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(CF)cc1 ZINC001497318132 1102313142 /nfs/dbraw/zinc/31/31/42/1102313142.db2.gz RCHDROSBMJNRIB-CYBMUJFWSA-N 2 2 332.423 2.415 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497404566 1102438105 /nfs/dbraw/zinc/43/81/05/1102438105.db2.gz XSEOQYXBUFENID-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497404566 1102438109 /nfs/dbraw/zinc/43/81/09/1102438109.db2.gz XSEOQYXBUFENID-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001497617895 1102756599 /nfs/dbraw/zinc/75/65/99/1102756599.db2.gz KOHDYMDGLVKBAP-XDXAGZTOSA-N 2 2 338.455 2.216 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001497643514 1102805106 /nfs/dbraw/zinc/80/51/06/1102805106.db2.gz AKDLWWGJAHLRDX-OYADATRGSA-N 2 2 340.418 2.361 10 0 EEAELP Cc1csc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)n2c[nH+]c(C)c2)n1 ZINC001447649677 1103050808 /nfs/dbraw/zinc/05/08/08/1103050808.db2.gz WFGIKGCXSSWYPN-LBPRGKRZSA-N 2 2 349.504 2.376 10 0 EEAELP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001497840458 1103176260 /nfs/dbraw/zinc/17/62/60/1103176260.db2.gz NYGLCUHEASGWSY-IAGOWNOFSA-N 2 2 340.471 2.357 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001497863698 1103216054 /nfs/dbraw/zinc/21/60/54/1103216054.db2.gz ABWNLAYVMGMYRQ-OAHLLOKOSA-N 2 2 330.432 2.005 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccon1)[NH+](CC)CC ZINC001447772334 1103284328 /nfs/dbraw/zinc/28/43/28/1103284328.db2.gz NUYPKJBZKJXKSW-IAGOWNOFSA-N 2 2 336.480 2.218 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccon1)[NH+](CC)CC ZINC001447772334 1103284338 /nfs/dbraw/zinc/28/43/38/1103284338.db2.gz NUYPKJBZKJXKSW-IAGOWNOFSA-N 2 2 336.480 2.218 10 0 EEAELP CCCc1nc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn2c[nH+]cc2C)cs1 ZINC001447886700 1103519197 /nfs/dbraw/zinc/51/91/97/1103519197.db2.gz ZYBVAYHYBOFHSK-KBPBESRZSA-N 2 2 349.504 2.284 10 0 EEAELP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001448315940 1104373554 /nfs/dbraw/zinc/37/35/54/1104373554.db2.gz GNCKMXUJYRJGFV-DJIMGWMZSA-N 2 2 332.492 2.396 10 0 EEAELP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC2)NC(=O)Cn1cc[nH+]c1 ZINC001497997228 1106758420 /nfs/dbraw/zinc/75/84/20/1106758420.db2.gz LXYMRWSYFBWRLF-CABCVRRESA-N 2 2 326.444 2.227 10 0 EEAELP C[C@@H](C[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001498208456 1107087613 /nfs/dbraw/zinc/08/76/13/1107087613.db2.gz ZIOGRVRBXHHHLV-QRTARXTBSA-N 2 2 348.397 2.026 10 0 EEAELP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323026 1107291492 /nfs/dbraw/zinc/29/14/92/1107291492.db2.gz LNBORCSCURTGNK-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001498323026 1107291502 /nfs/dbraw/zinc/29/15/02/1107291502.db2.gz LNBORCSCURTGNK-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493240824 1107754429 /nfs/dbraw/zinc/75/44/29/1107754429.db2.gz WCMPRYNCAQZZTL-DZEIUGAOSA-N 2 2 330.476 2.318 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001493240824 1107754443 /nfs/dbraw/zinc/75/44/43/1107754443.db2.gz WCMPRYNCAQZZTL-DZEIUGAOSA-N 2 2 330.476 2.318 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1)c1ccc(F)cc1F ZINC001498874052 1108258642 /nfs/dbraw/zinc/25/86/42/1108258642.db2.gz LPAPRXFPHKISLX-SJKOYZFVSA-N 2 2 348.397 2.407 10 0 EEAELP COc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1F ZINC001493762884 1108638890 /nfs/dbraw/zinc/63/88/90/1108638890.db2.gz HXVHSHUUEXMHHS-UHFFFAOYSA-N 2 2 348.422 2.083 10 0 EEAELP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001467677294 1110461377 /nfs/dbraw/zinc/46/13/77/1110461377.db2.gz DWCWVVFAQBRIEQ-UHFFFAOYSA-N 2 2 349.475 2.058 10 0 EEAELP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001467677294 1110461378 /nfs/dbraw/zinc/46/13/78/1110461378.db2.gz DWCWVVFAQBRIEQ-UHFFFAOYSA-N 2 2 349.475 2.058 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC001479418878 1110694523 /nfs/dbraw/zinc/69/45/23/1110694523.db2.gz ZDLPRUYJZSBMCM-KOMQPUFPSA-N 2 2 332.835 2.221 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CCC(F)(F)F)CC2)c[nH+]1 ZINC001499261981 1112205860 /nfs/dbraw/zinc/20/58/60/1112205860.db2.gz SJFKDAUQMJIYPF-UHFFFAOYSA-N 2 2 332.370 2.117 10 0 EEAELP C[NH+](C)CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C/C=C/Cl)CC1 ZINC001499555056 1112362759 /nfs/dbraw/zinc/36/27/59/1112362759.db2.gz PSCCBYOZPUWWQM-QZERPFSJSA-N 2 2 325.884 2.146 10 0 EEAELP C[NH+](C)CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C/C=C/Cl)CC1 ZINC001499555056 1112362763 /nfs/dbraw/zinc/36/27/63/1112362763.db2.gz PSCCBYOZPUWWQM-QZERPFSJSA-N 2 2 325.884 2.146 10 0 EEAELP COC[C@H](C)[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001503692336 1113900125 /nfs/dbraw/zinc/90/01/25/1113900125.db2.gz UTZBTIAIWZXUEQ-LPHOPBHVSA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@H](C)[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001503692336 1113900129 /nfs/dbraw/zinc/90/01/29/1113900129.db2.gz UTZBTIAIWZXUEQ-LPHOPBHVSA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@H](C)[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001503692336 1113900133 /nfs/dbraw/zinc/90/01/33/1113900133.db2.gz UTZBTIAIWZXUEQ-LPHOPBHVSA-N 2 2 347.503 2.077 10 0 EEAELP COC[C@H](C)[NH+]1CCc2ccccc2[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001503692336 1113900136 /nfs/dbraw/zinc/90/01/36/1113900136.db2.gz UTZBTIAIWZXUEQ-LPHOPBHVSA-N 2 2 347.503 2.077 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(CF)cc1)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001505622629 1114091668 /nfs/dbraw/zinc/09/16/68/1114091668.db2.gz WWFDOFFZIJEVPS-KGLIPLIRSA-N 2 2 332.423 2.495 10 0 EEAELP C[C@@H]([NH2+]Cc1ccc(CF)cc1)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001505622629 1114091672 /nfs/dbraw/zinc/09/16/72/1114091672.db2.gz WWFDOFFZIJEVPS-KGLIPLIRSA-N 2 2 332.423 2.495 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)CCc1c[nH+]cn1C ZINC001505847526 1114230873 /nfs/dbraw/zinc/23/08/73/1114230873.db2.gz TZRWOWHXGMEXHY-VMPITWQZSA-N 2 2 326.872 2.179 10 0 EEAELP CO[C@@H](C[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001505946446 1114294536 /nfs/dbraw/zinc/29/45/36/1114294536.db2.gz NXSGBTTVAODSNL-ACJLOTCBSA-N 2 2 344.459 2.428 10 0 EEAELP CO[C@@H](C[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001505946446 1114294538 /nfs/dbraw/zinc/29/45/38/1114294538.db2.gz NXSGBTTVAODSNL-ACJLOTCBSA-N 2 2 344.459 2.428 10 0 EEAELP Cc1nc(C[NH2+][C@H](CCN(C)C(=O)Cc2c[nH+]c[nH]2)C(C)C)c(C)o1 ZINC001506482519 1114641280 /nfs/dbraw/zinc/64/12/80/1114641280.db2.gz URFKBUPOJZRFPY-MRXNPFEDSA-N 2 2 347.463 2.220 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@H+](CC2CC3(CCC3)C2)CC1 ZINC001508225260 1115451958 /nfs/dbraw/zinc/45/19/58/1115451958.db2.gz OPUUVZNLGUCXMX-UHFFFAOYSA-N 2 2 328.460 2.281 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001508225260 1115451960 /nfs/dbraw/zinc/45/19/60/1115451960.db2.gz OPUUVZNLGUCXMX-UHFFFAOYSA-N 2 2 328.460 2.281 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001568075717 1124281405 /nfs/dbraw/zinc/28/14/05/1124281405.db2.gz HHBKNQXAYAGFJX-QGZVFWFLSA-N 2 2 341.459 2.005 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568283247 1124403410 /nfs/dbraw/zinc/40/34/10/1124403410.db2.gz ZWICBWSNQKWAFD-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001568650310 1124661464 /nfs/dbraw/zinc/66/14/64/1124661464.db2.gz WCUUYSHHBQQSRD-HUUCEWRRSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC001568876284 1124901810 /nfs/dbraw/zinc/90/18/10/1124901810.db2.gz SAESIYUGKBFXNU-KZSQQDEKSA-N 2 2 344.484 2.278 10 0 EEAELP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]Cc2cc(C(C)(C)C)on2)CC1 ZINC001568907666 1124936484 /nfs/dbraw/zinc/93/64/84/1124936484.db2.gz NHEQRHLVLQKMGY-SREVYHEPSA-N 2 2 348.491 2.076 10 0 EEAELP CN(CCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CCc1c[nH+]cn1C ZINC001569261866 1125203941 /nfs/dbraw/zinc/20/39/41/1125203941.db2.gz GECHUFCGZZZSMR-IXDOHACOSA-N 2 2 332.492 2.227 10 0 EEAELP CCC(CC)[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000359063171 282254055 /nfs/dbraw/zinc/25/40/55/282254055.db2.gz DTJODWJNRNTYCP-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP CCC(CC)[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCOCC1 ZINC000359063171 282254057 /nfs/dbraw/zinc/25/40/57/282254057.db2.gz DTJODWJNRNTYCP-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1ccc(Nc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)cc1Cl ZINC000040703648 213371648 /nfs/dbraw/zinc/37/16/48/213371648.db2.gz YOGDSLDGXVDWAG-UHFFFAOYSA-N 2 2 347.854 2.339 10 0 EEAELP CCOC1CC(O)(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000423081593 240356912 /nfs/dbraw/zinc/35/69/12/240356912.db2.gz DEHYCSNIQYMCDL-YBXZHIRMSA-N 2 2 334.460 2.008 10 0 EEAELP C[C@H](CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000422818107 240244209 /nfs/dbraw/zinc/24/42/09/240244209.db2.gz FPYKXZNIHOMCRW-AHRSYUTCSA-N 3 2 331.504 2.254 10 0 EEAELP C[C@H](CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)[N@@H+](C)Cc1ccccc1 ZINC000422818107 240244216 /nfs/dbraw/zinc/24/42/16/240244216.db2.gz FPYKXZNIHOMCRW-AHRSYUTCSA-N 3 2 331.504 2.254 10 0 EEAELP Fc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Br)c1 ZINC000422756009 240208169 /nfs/dbraw/zinc/20/81/69/240208169.db2.gz IOXIWPZBVAQDEP-GJZGRUSLSA-N 2 2 343.240 2.445 10 0 EEAELP COc1cccc(N2CCC[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)c1 ZINC000422755678 240209323 /nfs/dbraw/zinc/20/93/23/240209323.db2.gz GTGYJRKEYHUGOD-DBVUQKKJSA-N 2 2 345.487 2.021 10 0 EEAELP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422788284 240225864 /nfs/dbraw/zinc/22/58/64/240225864.db2.gz QZIZCZJDNJUKDX-UXHICEINSA-N 3 2 331.504 2.385 10 0 EEAELP c1cnc(OC2CCCC2)c(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422962292 240308495 /nfs/dbraw/zinc/30/84/95/240308495.db2.gz FFSBGWAKASCLHB-MSOLQXFVSA-N 2 2 331.460 2.260 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(O[C@H]2CCOC2)c1 ZINC000422882216 240273614 /nfs/dbraw/zinc/27/36/14/240273614.db2.gz ZQFKJRNOXBTSBV-YSIASYRMSA-N 2 2 346.471 2.019 10 0 EEAELP C[NH+](C)C1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCC1 ZINC000445859598 242135089 /nfs/dbraw/zinc/13/50/89/242135089.db2.gz PFXLFDZWFINWOF-UHFFFAOYSA-N 2 2 335.839 2.271 10 0 EEAELP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)s1 ZINC000246242449 243217840 /nfs/dbraw/zinc/21/78/40/243217840.db2.gz IYEFOVOERGGGNW-OIISXLGYSA-N 2 2 348.516 2.016 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)n1c(N)[nH+]c2cc(Br)ccc21 ZINC000049510214 214014608 /nfs/dbraw/zinc/01/46/08/214014608.db2.gz CCWCFHOPGKKFKB-SNVBAGLBSA-N 2 2 339.237 2.274 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)cn2c1 ZINC000264958474 247087496 /nfs/dbraw/zinc/08/74/96/247087496.db2.gz ACDZITMHZBDQMG-HOCLYGCPSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)cn2c1 ZINC000264958474 247087500 /nfs/dbraw/zinc/08/75/00/247087500.db2.gz ACDZITMHZBDQMG-HOCLYGCPSA-N 2 2 327.432 2.021 10 0 EEAELP CCn1cc[nH+]c1C1CC[NH+](C[C@H]2Cc3c(nc(C)nc3C)O2)CC1 ZINC000091645017 218038511 /nfs/dbraw/zinc/03/85/11/218038511.db2.gz YTRLHVIYUYKNPB-MRXNPFEDSA-N 2 2 341.459 2.493 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000270311763 256122256 /nfs/dbraw/zinc/12/22/56/256122256.db2.gz VKJRNJVANVAPSW-DJIMGWMZSA-N 2 2 327.432 2.016 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000270311763 256122257 /nfs/dbraw/zinc/12/22/57/256122257.db2.gz VKJRNJVANVAPSW-DJIMGWMZSA-N 2 2 327.432 2.016 10 0 EEAELP Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000155329656 224398987 /nfs/dbraw/zinc/39/89/87/224398987.db2.gz JMXXCXOJVOSXDB-INIZCTEOSA-N 2 2 344.459 2.114 10 0 EEAELP CC(C)n1cccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124753556 143725828 /nfs/dbraw/zinc/72/58/28/143725828.db2.gz CKCLVZQMSZYYRU-JWTNVVGKSA-N 2 2 344.503 2.452 10 0 EEAELP CC(C)n1cccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000124753556 143725832 /nfs/dbraw/zinc/72/58/32/143725832.db2.gz CKCLVZQMSZYYRU-JWTNVVGKSA-N 2 2 344.503 2.452 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1Cl ZINC000263161414 152390808 /nfs/dbraw/zinc/39/08/08/152390808.db2.gz DWFSDCOTKUAWLD-LBPRGKRZSA-N 2 2 347.793 2.216 10 0 EEAELP Cc1cc(F)ccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000093562802 159236013 /nfs/dbraw/zinc/23/60/13/159236013.db2.gz XJRORXSTZPBZGJ-UHFFFAOYSA-N 2 2 329.423 2.312 10 0 EEAELP O=C(NCCC[NH+]1CCCCC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184265357 160005682 /nfs/dbraw/zinc/00/56/82/160005682.db2.gz IUOWDWYYFCKORR-UHFFFAOYSA-N 2 2 345.491 2.179 10 0 EEAELP CN(CC1([NH+](C)C)CCC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000189714924 160147380 /nfs/dbraw/zinc/14/73/80/160147380.db2.gz AEHUFACFCUEVFN-UHFFFAOYSA-N 2 2 345.491 2.176 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601780 160183895 /nfs/dbraw/zinc/18/38/95/160183895.db2.gz IEOBXFQUHBZJRE-STEAMIEHSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601780 160183897 /nfs/dbraw/zinc/18/38/97/160183897.db2.gz IEOBXFQUHBZJRE-STEAMIEHSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193601780 160183899 /nfs/dbraw/zinc/18/38/99/160183899.db2.gz IEOBXFQUHBZJRE-STEAMIEHSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193601780 160183900 /nfs/dbraw/zinc/18/39/00/160183900.db2.gz IEOBXFQUHBZJRE-STEAMIEHSA-N 2 2 329.488 2.308 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000246256670 160270830 /nfs/dbraw/zinc/27/08/30/160270830.db2.gz QAYWQYRKCUDVAD-TZIWHRDSSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[NH+](C)CC1 ZINC000246256670 160270832 /nfs/dbraw/zinc/27/08/32/160270832.db2.gz QAYWQYRKCUDVAD-TZIWHRDSSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000246256670 160270834 /nfs/dbraw/zinc/27/08/34/160270834.db2.gz QAYWQYRKCUDVAD-TZIWHRDSSA-N 3 2 344.547 2.124 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000246256670 160270835 /nfs/dbraw/zinc/27/08/35/160270835.db2.gz QAYWQYRKCUDVAD-TZIWHRDSSA-N 3 2 344.547 2.124 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000247124697 160311390 /nfs/dbraw/zinc/31/13/90/160311390.db2.gz GAXPUKHKBAQILJ-ZTFGCOKTSA-N 2 2 334.460 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000247124697 160311391 /nfs/dbraw/zinc/31/13/91/160311391.db2.gz GAXPUKHKBAQILJ-ZTFGCOKTSA-N 2 2 334.460 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000247124697 160311392 /nfs/dbraw/zinc/31/13/92/160311392.db2.gz GAXPUKHKBAQILJ-ZTFGCOKTSA-N 2 2 334.460 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000247124697 160311393 /nfs/dbraw/zinc/31/13/93/160311393.db2.gz GAXPUKHKBAQILJ-ZTFGCOKTSA-N 2 2 334.460 2.043 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247340525 160321139 /nfs/dbraw/zinc/32/11/39/160321139.db2.gz GRDBYNBATDBCDU-RHSMWYFYSA-N 2 2 330.407 2.222 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247340525 160321140 /nfs/dbraw/zinc/32/11/40/160321140.db2.gz GRDBYNBATDBCDU-RHSMWYFYSA-N 2 2 330.407 2.222 10 0 EEAELP COc1ccc(C)cc1NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247962967 160335020 /nfs/dbraw/zinc/33/50/20/160335020.db2.gz GMCXCWRJAPWVGR-DOTOQJQBSA-N 2 2 331.460 2.358 10 0 EEAELP COc1ccc(C)cc1NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247962967 160335022 /nfs/dbraw/zinc/33/50/22/160335022.db2.gz GMCXCWRJAPWVGR-DOTOQJQBSA-N 2 2 331.460 2.358 10 0 EEAELP COc1ccc(C)cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247962967 160335023 /nfs/dbraw/zinc/33/50/23/160335023.db2.gz GMCXCWRJAPWVGR-DOTOQJQBSA-N 2 2 331.460 2.358 10 0 EEAELP COc1ccc(C)cc1NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247962967 160335024 /nfs/dbraw/zinc/33/50/24/160335024.db2.gz GMCXCWRJAPWVGR-DOTOQJQBSA-N 2 2 331.460 2.358 10 0 EEAELP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000342806216 161091952 /nfs/dbraw/zinc/09/19/52/161091952.db2.gz OISZMIYPTGGAFS-GBESFXJTSA-N 2 2 334.504 2.399 10 0 EEAELP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000342806216 161091953 /nfs/dbraw/zinc/09/19/53/161091953.db2.gz OISZMIYPTGGAFS-GBESFXJTSA-N 2 2 334.504 2.399 10 0 EEAELP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000344359145 161220208 /nfs/dbraw/zinc/22/02/08/161220208.db2.gz FGCKNHKVXPKJQN-MAUKXSAKSA-N 2 2 326.444 2.466 10 0 EEAELP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000344359145 161220209 /nfs/dbraw/zinc/22/02/09/161220209.db2.gz FGCKNHKVXPKJQN-MAUKXSAKSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355212691 163112143 /nfs/dbraw/zinc/11/21/43/163112143.db2.gz DNQMNEBPODNEAO-TZMCWYRMSA-N 2 2 343.397 2.001 10 0 EEAELP C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355212691 163112145 /nfs/dbraw/zinc/11/21/45/163112145.db2.gz DNQMNEBPODNEAO-TZMCWYRMSA-N 2 2 343.397 2.001 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)C2 ZINC000356151829 163350912 /nfs/dbraw/zinc/35/09/12/163350912.db2.gz XWGCIZRGEYDFDX-KGLIPLIRSA-N 2 2 329.448 2.287 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@@H](C)Cn1cc[nH+]c1)CC2 ZINC000356151829 163350915 /nfs/dbraw/zinc/35/09/15/163350915.db2.gz XWGCIZRGEYDFDX-KGLIPLIRSA-N 2 2 329.448 2.287 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)CS(C)(=O)=O ZINC000360339806 164288106 /nfs/dbraw/zinc/28/81/06/164288106.db2.gz VLLKXBFNZKIABW-NUJGCVRESA-N 2 2 338.517 2.167 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)CS(C)(=O)=O ZINC000360339806 164288107 /nfs/dbraw/zinc/28/81/07/164288107.db2.gz VLLKXBFNZKIABW-NUJGCVRESA-N 2 2 338.517 2.167 10 0 EEAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCC[NH+]1CCOCC1 ZINC000370011742 166376689 /nfs/dbraw/zinc/37/66/89/166376689.db2.gz QGKCBQJDAXNGAK-IBGZPJMESA-N 2 2 331.504 2.305 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCC[NH+]1CCOCC1 ZINC000370011742 166376692 /nfs/dbraw/zinc/37/66/92/166376692.db2.gz QGKCBQJDAXNGAK-IBGZPJMESA-N 2 2 331.504 2.305 10 0 EEAELP Cn1ncc2c1nc(NCc1ccccc1C[NH+]1CCCC1)[nH+]c2N ZINC000278373558 269227182 /nfs/dbraw/zinc/22/71/82/269227182.db2.gz LCEXDXHNNZFZBT-UHFFFAOYSA-N 2 2 337.431 2.153 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000371053702 276814956 /nfs/dbraw/zinc/81/49/56/276814956.db2.gz IYAZMRUNNLBBFE-KRWDZBQOSA-N 2 2 345.491 2.021 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000429027989 277185655 /nfs/dbraw/zinc/18/56/55/277185655.db2.gz FOLFMJDMSBEHFD-QUCCMNQESA-N 2 2 327.472 2.208 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000429027989 277185656 /nfs/dbraw/zinc/18/56/56/277185656.db2.gz FOLFMJDMSBEHFD-QUCCMNQESA-N 2 2 327.472 2.208 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000429027989 277185657 /nfs/dbraw/zinc/18/56/57/277185657.db2.gz FOLFMJDMSBEHFD-QUCCMNQESA-N 2 2 327.472 2.208 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N[C@@H]3CCCc4ccccc43)C2)C1 ZINC000429027989 277185658 /nfs/dbraw/zinc/18/56/58/277185658.db2.gz FOLFMJDMSBEHFD-QUCCMNQESA-N 2 2 327.472 2.208 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[C@H]21 ZINC000353611739 290214557 /nfs/dbraw/zinc/21/45/57/290214557.db2.gz FCDURWPQDJIASI-OMZCGLGVSA-N 3 2 335.536 2.217 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[C@H]21 ZINC000353611739 290214559 /nfs/dbraw/zinc/21/45/59/290214559.db2.gz FCDURWPQDJIASI-OMZCGLGVSA-N 3 2 335.536 2.217 10 0 EEAELP C[C@@H]1CCC[C@@](CNc2cc(N3CCOCC3)[nH+]cn2)([NH+](C)C)C1 ZINC000302881152 311555954 /nfs/dbraw/zinc/55/59/54/311555954.db2.gz HUYNVBMTIDCHEL-CRAIPNDOSA-N 2 2 333.480 2.236 10 0 EEAELP CC(C)N(CC(F)(F)F)C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000331252105 311830802 /nfs/dbraw/zinc/83/08/02/311830802.db2.gz UGUATHYJMHDPDJ-UHFFFAOYSA-N 2 2 332.370 2.388 10 0 EEAELP [NH3+][C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000416945070 313368395 /nfs/dbraw/zinc/36/83/95/313368395.db2.gz VYHZLKDMYWJNRN-KRWDZBQOSA-N 2 2 339.443 2.181 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)ccn1 ZINC000527663720 317240080 /nfs/dbraw/zinc/24/00/80/317240080.db2.gz CTNYZBSLZHOABL-UXHICEINSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)ccn1 ZINC000527663720 317240084 /nfs/dbraw/zinc/24/00/84/317240084.db2.gz CTNYZBSLZHOABL-UXHICEINSA-N 2 2 325.456 2.363 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@H]1CCOC1 ZINC000545949106 318235378 /nfs/dbraw/zinc/23/53/78/318235378.db2.gz LROUGGDQFWAXKT-ZIAGYGMSSA-N 2 2 328.416 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@H]1CCOC1 ZINC000545949106 318235380 /nfs/dbraw/zinc/23/53/80/318235380.db2.gz LROUGGDQFWAXKT-ZIAGYGMSSA-N 2 2 328.416 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564085966 319066324 /nfs/dbraw/zinc/06/63/24/319066324.db2.gz UHTCZZPPWHYFBC-RDTXWAMCSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564085966 319066327 /nfs/dbraw/zinc/06/63/27/319066327.db2.gz UHTCZZPPWHYFBC-RDTXWAMCSA-N 2 2 335.879 2.420 10 0 EEAELP [NH3+]C[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000564892244 319123690 /nfs/dbraw/zinc/12/36/90/319123690.db2.gz SFIQFZPJFBFHLC-KRWDZBQOSA-N 2 2 347.459 2.274 10 0 EEAELP Cc1cn2cc(NC(=O)c3cc(C[NH+]4CCCC4)on3)ccc2[nH+]1 ZINC000571135325 319727606 /nfs/dbraw/zinc/72/76/06/319727606.db2.gz QGLNOOAAQUPBJL-UHFFFAOYSA-N 2 2 325.372 2.479 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574773465 320056733 /nfs/dbraw/zinc/05/67/33/320056733.db2.gz FURIMXHBJNGGCX-GJZGRUSLSA-N 2 2 333.480 2.355 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000574773465 320056734 /nfs/dbraw/zinc/05/67/34/320056734.db2.gz FURIMXHBJNGGCX-GJZGRUSLSA-N 2 2 333.480 2.355 10 0 EEAELP CC(C)OC[C@@H](O)C[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000582177081 324396839 /nfs/dbraw/zinc/39/68/39/324396839.db2.gz YRDROAAVUGTTGQ-INIZCTEOSA-N 2 2 330.538 2.114 10 0 EEAELP COC(=O)c1ccc([C@H](C)[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000111231134 463673104 /nfs/dbraw/zinc/67/31/04/463673104.db2.gz TYWZWTARJWIRGZ-JKSUJKDBSA-N 2 2 349.475 2.229 10 0 EEAELP COC(=O)c1ccc([C@H](C)[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000111231134 463673106 /nfs/dbraw/zinc/67/31/06/463673106.db2.gz TYWZWTARJWIRGZ-JKSUJKDBSA-N 2 2 349.475 2.229 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479502 464247027 /nfs/dbraw/zinc/24/70/27/464247027.db2.gz DFMORIVDOJJBFC-MJGOQNOKSA-N 2 2 325.460 2.243 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479502 464247029 /nfs/dbraw/zinc/24/70/29/464247029.db2.gz DFMORIVDOJJBFC-MJGOQNOKSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479502 464247032 /nfs/dbraw/zinc/24/70/32/464247032.db2.gz DFMORIVDOJJBFC-MJGOQNOKSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cnnn3Cc3ccccc3)CC[C@@H]21 ZINC000292479502 464247035 /nfs/dbraw/zinc/24/70/35/464247035.db2.gz DFMORIVDOJJBFC-MJGOQNOKSA-N 2 2 325.460 2.243 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000354581656 465036570 /nfs/dbraw/zinc/03/65/70/465036570.db2.gz FMJVXCVYPHDQQL-RBSFLKMASA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000354581656 465036573 /nfs/dbraw/zinc/03/65/73/465036573.db2.gz FMJVXCVYPHDQQL-RBSFLKMASA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000354581656 465036579 /nfs/dbraw/zinc/03/65/79/465036579.db2.gz FMJVXCVYPHDQQL-RBSFLKMASA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000354581656 465036581 /nfs/dbraw/zinc/03/65/81/465036581.db2.gz FMJVXCVYPHDQQL-RBSFLKMASA-N 2 2 330.476 2.381 10 0 EEAELP CCS(=O)(=O)CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328604446 465066292 /nfs/dbraw/zinc/06/62/92/465066292.db2.gz JXMSQUFLVHCYIX-HNNXBMFYSA-N 2 2 342.530 2.127 10 0 EEAELP CCS(=O)(=O)CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000328604446 465066295 /nfs/dbraw/zinc/06/62/95/465066295.db2.gz JXMSQUFLVHCYIX-HNNXBMFYSA-N 2 2 342.530 2.127 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000358664069 465249869 /nfs/dbraw/zinc/24/98/69/465249869.db2.gz KPMWFIRHICBIFW-KRWDZBQOSA-N 2 2 345.491 2.036 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000358664069 465249877 /nfs/dbraw/zinc/24/98/77/465249877.db2.gz KPMWFIRHICBIFW-KRWDZBQOSA-N 2 2 345.491 2.036 10 0 EEAELP Cc1ccc(-c2nnc(C[NH+]3CCN(c4[nH+]ccn4C)CC3)o2)cc1 ZINC000534844134 468278130 /nfs/dbraw/zinc/27/81/30/468278130.db2.gz CRVFPCROUFGMIW-UHFFFAOYSA-N 2 2 338.415 2.101 10 0 EEAELP CCc1nn(C)c(CC)c1C[NH+]1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000092703939 462974770 /nfs/dbraw/zinc/97/47/70/462974770.db2.gz ITFNSLSJWSMESZ-UHFFFAOYSA-N 2 2 342.491 2.274 10 0 EEAELP COCC[NH+]1CCC([NH2+]CC2(N3CCSCC3)CCCC2)CC1 ZINC000095420249 463080838 /nfs/dbraw/zinc/08/08/38/463080838.db2.gz KXQLKZOQWHEKEB-UHFFFAOYSA-N 2 2 341.565 2.048 10 0 EEAELP CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000579386116 468353637 /nfs/dbraw/zinc/35/36/37/468353637.db2.gz GZLNFJZGCFGIKC-CYBMUJFWSA-N 2 2 339.486 2.190 10 0 EEAELP CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000579386116 468353645 /nfs/dbraw/zinc/35/36/45/468353645.db2.gz GZLNFJZGCFGIKC-CYBMUJFWSA-N 2 2 339.486 2.190 10 0 EEAELP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000081342954 463423246 /nfs/dbraw/zinc/42/32/46/463423246.db2.gz KAQFXMCEJILIHS-SFHVURJKSA-N 2 2 331.460 2.317 10 0 EEAELP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)CCO3)c2C1 ZINC000081342954 463423248 /nfs/dbraw/zinc/42/32/48/463423248.db2.gz KAQFXMCEJILIHS-SFHVURJKSA-N 2 2 331.460 2.317 10 0 EEAELP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@H+](C)CCO3)c2C1 ZINC000081342954 463423252 /nfs/dbraw/zinc/42/32/52/463423252.db2.gz KAQFXMCEJILIHS-SFHVURJKSA-N 2 2 331.460 2.317 10 0 EEAELP CC(C)CC[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@@H+](C)CCO3)c2C1 ZINC000081342954 463423255 /nfs/dbraw/zinc/42/32/55/463423255.db2.gz KAQFXMCEJILIHS-SFHVURJKSA-N 2 2 331.460 2.317 10 0 EEAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000161718478 463452953 /nfs/dbraw/zinc/45/29/53/463452953.db2.gz GNCCERSXRXIZFL-IBGZPJMESA-N 3 2 333.524 2.074 10 0 EEAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000161718478 463452960 /nfs/dbraw/zinc/45/29/60/463452960.db2.gz GNCCERSXRXIZFL-IBGZPJMESA-N 3 2 333.524 2.074 10 0 EEAELP CC[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000058296357 463573290 /nfs/dbraw/zinc/57/32/90/463573290.db2.gz KQQQKHCHURKLRD-QFBILLFUSA-N 2 2 339.487 2.351 10 0 EEAELP CC[C@H](C[NH2+]C[C@H]1CNc2ccnn2C1)[N@H+]1CCc2ccccc2C1 ZINC000058296357 463573294 /nfs/dbraw/zinc/57/32/94/463573294.db2.gz KQQQKHCHURKLRD-QFBILLFUSA-N 2 2 339.487 2.351 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000268918899 463809123 /nfs/dbraw/zinc/80/91/23/463809123.db2.gz VYSPZEMWNGXWFV-DYXWJJEUSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000268918899 463809127 /nfs/dbraw/zinc/80/91/27/463809127.db2.gz VYSPZEMWNGXWFV-DYXWJJEUSA-N 3 2 344.547 2.123 10 0 EEAELP CCCCc1nnc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)s1 ZINC000268919581 463809325 /nfs/dbraw/zinc/80/93/25/463809325.db2.gz RYQZPJLEDRUESH-UHFFFAOYSA-N 2 2 348.476 2.422 10 0 EEAELP c1cn(Cc2ccccc2)c(CN2CC[NH2+]C[C@@H]2c2cccnc2)[nH+]1 ZINC000261663791 463820379 /nfs/dbraw/zinc/82/03/79/463820379.db2.gz HCNKTZHEQKYFJM-LJQANCHMSA-N 2 2 333.439 2.473 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261990232 463918858 /nfs/dbraw/zinc/91/88/58/463918858.db2.gz SPWULUCEEPXQJJ-RHQZKXFESA-N 3 2 337.552 2.490 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261990232 463918861 /nfs/dbraw/zinc/91/88/61/463918861.db2.gz SPWULUCEEPXQJJ-RHQZKXFESA-N 3 2 337.552 2.490 10 0 EEAELP CC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178750344 463962333 /nfs/dbraw/zinc/96/23/33/463962333.db2.gz GKSXMHPFPNICIL-SFHVURJKSA-N 2 2 340.427 2.497 10 0 EEAELP CC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178750344 463962336 /nfs/dbraw/zinc/96/23/36/463962336.db2.gz GKSXMHPFPNICIL-SFHVURJKSA-N 2 2 340.427 2.497 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195274634 464029408 /nfs/dbraw/zinc/02/94/08/464029408.db2.gz LJMBNJLMTCAYLD-MJGOQNOKSA-N 2 2 338.455 2.062 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195274634 464029412 /nfs/dbraw/zinc/02/94/12/464029412.db2.gz LJMBNJLMTCAYLD-MJGOQNOKSA-N 2 2 338.455 2.062 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195274634 464029414 /nfs/dbraw/zinc/02/94/14/464029414.db2.gz LJMBNJLMTCAYLD-MJGOQNOKSA-N 2 2 338.455 2.062 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195274634 464029418 /nfs/dbraw/zinc/02/94/18/464029418.db2.gz LJMBNJLMTCAYLD-MJGOQNOKSA-N 2 2 338.455 2.062 10 0 EEAELP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263287012 464077814 /nfs/dbraw/zinc/07/78/14/464077814.db2.gz VEOZKKLPMULAOH-NPYXIHBLSA-N 2 2 349.425 2.295 10 0 EEAELP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263287012 464077820 /nfs/dbraw/zinc/07/78/20/464077820.db2.gz VEOZKKLPMULAOH-NPYXIHBLSA-N 2 2 349.425 2.295 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)CCO1 ZINC000179785363 464187920 /nfs/dbraw/zinc/18/79/20/464187920.db2.gz CDFLUUMWSPRJTE-HNNXBMFYSA-N 2 2 334.508 2.403 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)CCO1 ZINC000179785363 464187925 /nfs/dbraw/zinc/18/79/25/464187925.db2.gz CDFLUUMWSPRJTE-HNNXBMFYSA-N 2 2 334.508 2.403 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000237086195 464262958 /nfs/dbraw/zinc/26/29/58/464262958.db2.gz KIVCGGXMQUHTBJ-HNNXBMFYSA-N 2 2 328.416 2.032 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000237086195 464262963 /nfs/dbraw/zinc/26/29/63/464262963.db2.gz KIVCGGXMQUHTBJ-HNNXBMFYSA-N 2 2 328.416 2.032 10 0 EEAELP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188420405 464276326 /nfs/dbraw/zinc/27/63/26/464276326.db2.gz OKLSYWUTEFAGIT-NVXWUHKLSA-N 2 2 343.427 2.488 10 0 EEAELP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000188420405 464276330 /nfs/dbraw/zinc/27/63/30/464276330.db2.gz OKLSYWUTEFAGIT-NVXWUHKLSA-N 2 2 343.427 2.488 10 0 EEAELP C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656589 464362422 /nfs/dbraw/zinc/36/24/22/464362422.db2.gz MOLVHLZRRKUHFM-LLVKDONJSA-N 2 2 326.322 2.201 10 0 EEAELP Cc1cccc2[nH+]c(CN3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cn21 ZINC000264760872 464453497 /nfs/dbraw/zinc/45/34/97/464453497.db2.gz YYTUWQCLKJZXBV-LJQANCHMSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccc2[nH+]c(CN3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cn21 ZINC000264760872 464453510 /nfs/dbraw/zinc/45/35/10/464453510.db2.gz YYTUWQCLKJZXBV-LJQANCHMSA-N 2 2 341.503 2.245 10 0 EEAELP Cn1c2ccccc2nc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174886288 464462650 /nfs/dbraw/zinc/46/26/50/464462650.db2.gz LVRSMGUHGJYKBL-KRWDZBQOSA-N 2 2 341.503 2.175 10 0 EEAELP Cn1c2ccccc2nc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174886288 464462658 /nfs/dbraw/zinc/46/26/58/464462658.db2.gz LVRSMGUHGJYKBL-KRWDZBQOSA-N 2 2 341.503 2.175 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246131318 464549037 /nfs/dbraw/zinc/54/90/37/464549037.db2.gz BTEWPAXQYJOYQZ-LSDHHAIUSA-N 2 2 347.425 2.205 10 0 EEAELP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000246131318 464549046 /nfs/dbraw/zinc/54/90/46/464549046.db2.gz BTEWPAXQYJOYQZ-LSDHHAIUSA-N 2 2 347.425 2.205 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000175841424 464640333 /nfs/dbraw/zinc/64/03/33/464640333.db2.gz OZQJMELXURXSBM-INIZCTEOSA-N 2 2 342.447 2.263 10 0 EEAELP CC1(C)C[N@@H+](C2(C[NH2+]C[C@@H](O)C(F)(F)F)CCCCC2)CCO1 ZINC000579824323 468417827 /nfs/dbraw/zinc/41/78/27/468417827.db2.gz CMJPJJGGRYNKMD-CYBMUJFWSA-N 2 2 338.414 2.313 10 0 EEAELP CC1(C)C[N@H+](C2(C[NH2+]C[C@@H](O)C(F)(F)F)CCCCC2)CCO1 ZINC000579824323 468417835 /nfs/dbraw/zinc/41/78/35/468417835.db2.gz CMJPJJGGRYNKMD-CYBMUJFWSA-N 2 2 338.414 2.313 10 0 EEAELP CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597013123 468418222 /nfs/dbraw/zinc/41/82/22/468418222.db2.gz DICYQIYRJBXSCE-CQSZACIVSA-N 2 2 328.416 2.431 10 0 EEAELP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597013123 468418227 /nfs/dbraw/zinc/41/82/27/468418227.db2.gz DICYQIYRJBXSCE-CQSZACIVSA-N 2 2 328.416 2.431 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248662597 464783043 /nfs/dbraw/zinc/78/30/43/464783043.db2.gz YMTRQLJJIZZODA-DGCLKSJQSA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)C(F)(F)F)C1 ZINC000248662597 464783046 /nfs/dbraw/zinc/78/30/46/464783046.db2.gz YMTRQLJJIZZODA-DGCLKSJQSA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248662597 464783051 /nfs/dbraw/zinc/78/30/51/464783051.db2.gz YMTRQLJJIZZODA-DGCLKSJQSA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)C(F)(F)F)C1 ZINC000248662597 464783054 /nfs/dbraw/zinc/78/30/54/464783054.db2.gz YMTRQLJJIZZODA-DGCLKSJQSA-N 2 2 337.411 2.128 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)c2cc1C ZINC000248848398 464810143 /nfs/dbraw/zinc/81/01/43/464810143.db2.gz SHNWTOPQQULOIZ-YYIAUSFCSA-N 2 2 331.460 2.248 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3[C@H](C)C[C@@H](O)C[C@@H]3C)c2cc1C ZINC000248848398 464810148 /nfs/dbraw/zinc/81/01/48/464810148.db2.gz SHNWTOPQQULOIZ-YYIAUSFCSA-N 2 2 331.460 2.248 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266795762 464825098 /nfs/dbraw/zinc/82/50/98/464825098.db2.gz XYRIUJRZVRGNBZ-UHFFFAOYSA-N 2 2 330.407 2.387 10 0 EEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000184330752 464966087 /nfs/dbraw/zinc/96/60/87/464966087.db2.gz NDFCYYGVOHFSTH-RBUKOAKNSA-N 2 2 347.503 2.215 10 0 EEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000184330752 464966094 /nfs/dbraw/zinc/96/60/94/464966094.db2.gz NDFCYYGVOHFSTH-RBUKOAKNSA-N 2 2 347.503 2.215 10 0 EEAELP C[C@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000337351335 465321759 /nfs/dbraw/zinc/32/17/59/465321759.db2.gz VRMBSPAHZKXZLZ-LSDHHAIUSA-N 2 2 333.480 2.210 10 0 EEAELP C[C@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@H+]1CCCC[C@@H]1C ZINC000337351335 465321762 /nfs/dbraw/zinc/32/17/62/465321762.db2.gz VRMBSPAHZKXZLZ-LSDHHAIUSA-N 2 2 333.480 2.210 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000348285310 465531555 /nfs/dbraw/zinc/53/15/55/465531555.db2.gz NLNIEVQFZWEFIF-UHFFFAOYSA-N 2 2 331.489 2.230 10 0 EEAELP c1cn(-c2csc(C[N@H+]3CC[C@H](CN4CCOCC4)C3)c2)c[nH+]1 ZINC000346197267 465981613 /nfs/dbraw/zinc/98/16/13/465981613.db2.gz DUTLOEIYRQPWRV-OAHLLOKOSA-N 2 2 332.473 2.088 10 0 EEAELP c1cn(-c2csc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)c2)c[nH+]1 ZINC000346197267 465981617 /nfs/dbraw/zinc/98/16/17/465981617.db2.gz DUTLOEIYRQPWRV-OAHLLOKOSA-N 2 2 332.473 2.088 10 0 EEAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1C1CC1 ZINC000349190174 466011962 /nfs/dbraw/zinc/01/19/62/466011962.db2.gz MMFLVJHIFCYKDO-ZBFHGGJFSA-N 2 2 329.444 2.462 10 0 EEAELP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)nc1C1CC1 ZINC000349190174 466011969 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EEAELP CC[C@H](N[C@@H]1C[N@H+](C)C[C@H]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000361981876 466458796 /nfs/dbraw/zinc/45/87/96/466458796.db2.gz PJACDJLUILSOHQ-GSEOLPGOSA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[N@@H+](C)C[C@H]1C)[C@H]1C[NH+](Cc2ccccc2)CCO1 ZINC000361981876 466458804 /nfs/dbraw/zinc/45/88/04/466458804.db2.gz PJACDJLUILSOHQ-GSEOLPGOSA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[NH+](C)C[C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000361981876 466458813 /nfs/dbraw/zinc/45/88/13/466458813.db2.gz PJACDJLUILSOHQ-GSEOLPGOSA-N 2 2 331.504 2.206 10 0 EEAELP CC[C@H](N[C@@H]1C[NH+](C)C[C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000361981876 466458819 /nfs/dbraw/zinc/45/88/19/466458819.db2.gz PJACDJLUILSOHQ-GSEOLPGOSA-N 2 2 331.504 2.206 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](c2ccccc2)[C@H](C)O)CC1 ZINC000597249210 468495663 /nfs/dbraw/zinc/49/56/63/468495663.db2.gz NENGXNRHGCPBKP-HNAYVOBHSA-N 2 2 334.460 2.116 10 0 EEAELP CCc1cccnc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000368465683 466643999 /nfs/dbraw/zinc/64/39/99/466643999.db2.gz IGSMGZMRFMIHJY-UHFFFAOYSA-N 2 2 344.503 2.324 10 0 EEAELP C[C@@H]([NH2+]Cc1cccc(-c2[nH+]ccn2C)c1)C1CCS(=O)(=O)CC1 ZINC000363950601 466665991 /nfs/dbraw/zinc/66/59/91/466665991.db2.gz ICJXJGDNSYMMLR-CQSZACIVSA-N 2 2 347.484 2.390 10 0 EEAELP CC[C@H](C)NC(=O)CC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422700249 466680695 /nfs/dbraw/zinc/68/06/95/466680695.db2.gz GDBDLPILEIXIGX-YJLNNSPDSA-N 2 2 333.476 2.383 10 0 EEAELP CCC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417955311 467002039 /nfs/dbraw/zinc/00/20/39/467002039.db2.gz QYAZELLMCAPVQO-HOTGVXAUSA-N 2 2 340.418 2.009 10 0 EEAELP CCC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417955311 467002044 /nfs/dbraw/zinc/00/20/44/467002044.db2.gz QYAZELLMCAPVQO-HOTGVXAUSA-N 2 2 340.418 2.009 10 0 EEAELP C[NH2+]CCCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000418274066 467087401 /nfs/dbraw/zinc/08/74/01/467087401.db2.gz AEJXOQNTADGMHD-CQSZACIVSA-N 2 2 338.883 2.338 10 0 EEAELP O=C1CC[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1 ZINC000450929253 467208369 /nfs/dbraw/zinc/20/83/69/467208369.db2.gz UBQXVWRLRXXPCI-JKSUJKDBSA-N 2 2 330.476 2.315 10 0 EEAELP O=C1CC[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCN1 ZINC000450929253 467208371 /nfs/dbraw/zinc/20/83/71/467208371.db2.gz UBQXVWRLRXXPCI-JKSUJKDBSA-N 2 2 330.476 2.315 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(-c2ccc(F)cc2)n1 ZINC000449399327 467640217 /nfs/dbraw/zinc/64/02/17/467640217.db2.gz ZWJATHLVUVLXHO-GOSISDBHSA-N 2 2 346.450 2.163 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(-c2ccc(F)cc2)n1 ZINC000449399327 467640220 /nfs/dbraw/zinc/64/02/20/467640220.db2.gz ZWJATHLVUVLXHO-GOSISDBHSA-N 2 2 346.450 2.163 10 0 EEAELP C[C@H](CC(F)(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000457672727 467675575 /nfs/dbraw/zinc/67/55/75/467675575.db2.gz PIVQOTFIVIREJT-JKXDFHQYSA-N 2 2 347.425 2.344 10 0 EEAELP C[C@H](CC(F)(F)F)C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000457672727 467675578 /nfs/dbraw/zinc/67/55/78/467675578.db2.gz PIVQOTFIVIREJT-JKXDFHQYSA-N 2 2 347.425 2.344 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)[NH+](C)C)c(C)c1 ZINC000455437598 467682454 /nfs/dbraw/zinc/68/24/54/467682454.db2.gz WPLSIZJHPCYVPR-WMZOPIPTSA-N 2 2 343.475 2.491 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(CO)ccc3F)CC2)CC1 ZINC000528527975 467696967 /nfs/dbraw/zinc/69/69/67/467696967.db2.gz REIXUWOWFPWCMF-UHFFFAOYSA-N 2 2 349.494 2.310 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(CO)ccc3F)CC2)CC1 ZINC000528527975 467696969 /nfs/dbraw/zinc/69/69/69/467696969.db2.gz REIXUWOWFPWCMF-UHFFFAOYSA-N 2 2 349.494 2.310 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(CO)ccc3F)CC2)CC1 ZINC000528527975 467696971 /nfs/dbraw/zinc/69/69/71/467696971.db2.gz REIXUWOWFPWCMF-UHFFFAOYSA-N 2 2 349.494 2.310 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(CO)ccc3F)CC2)CC1 ZINC000528527975 467696972 /nfs/dbraw/zinc/69/69/72/467696972.db2.gz REIXUWOWFPWCMF-UHFFFAOYSA-N 2 2 349.494 2.310 10 0 EEAELP COc1ccccc1OCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528730096 467741943 /nfs/dbraw/zinc/74/19/43/467741943.db2.gz UYUMSZJCKVMCFL-UHFFFAOYSA-N 2 2 334.460 2.261 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)CC1 ZINC000528743266 467745317 /nfs/dbraw/zinc/74/53/17/467745317.db2.gz RXQZRMKKBFTAST-QGZVFWFLSA-N 2 2 333.451 2.168 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3ccc(F)cc3)C2(C)C)CC1 ZINC000528743266 467745321 /nfs/dbraw/zinc/74/53/21/467745321.db2.gz RXQZRMKKBFTAST-QGZVFWFLSA-N 2 2 333.451 2.168 10 0 EEAELP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000457117921 467757798 /nfs/dbraw/zinc/75/77/98/467757798.db2.gz JSMPSAQUFCGCRA-HNNXBMFYSA-N 2 2 341.411 2.013 10 0 EEAELP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1cccc(Oc2cc[nH+]cc2)c1 ZINC000457117921 467757801 /nfs/dbraw/zinc/75/78/01/467757801.db2.gz JSMPSAQUFCGCRA-HNNXBMFYSA-N 2 2 341.411 2.013 10 0 EEAELP 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HMLZGPTYLTXVKN-IEBWSBKVSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCCN1c1cccc(F)c1 ZINC000584529973 468893210 /nfs/dbraw/zinc/89/32/10/468893210.db2.gz HMLZGPTYLTXVKN-IEBWSBKVSA-N 2 2 331.435 2.397 10 0 EEAELP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000595628173 468929817 /nfs/dbraw/zinc/92/98/17/468929817.db2.gz WJPWPAVBARUITM-NEPJUHHUSA-N 2 2 333.354 2.026 10 0 EEAELP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000595628173 468929821 /nfs/dbraw/zinc/92/98/21/468929821.db2.gz WJPWPAVBARUITM-NEPJUHHUSA-N 2 2 333.354 2.026 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000610511359 468989114 /nfs/dbraw/zinc/98/91/14/468989114.db2.gz GLANXSYVVKZTRP-CYBMUJFWSA-N 2 2 332.400 2.412 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000610511359 468989119 /nfs/dbraw/zinc/98/91/19/468989119.db2.gz GLANXSYVVKZTRP-CYBMUJFWSA-N 2 2 332.400 2.412 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCCC2(CC2)CC1 ZINC000626114334 469505872 /nfs/dbraw/zinc/50/58/72/469505872.db2.gz CFALIHVXNDPOOB-KRWDZBQOSA-N 2 2 342.487 2.385 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCCC2(CC2)CC1 ZINC000626114334 469505877 /nfs/dbraw/zinc/50/58/77/469505877.db2.gz CFALIHVXNDPOOB-KRWDZBQOSA-N 2 2 342.487 2.385 10 0 EEAELP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1cccc(Cl)c1 ZINC000629521700 469571542 /nfs/dbraw/zinc/57/15/42/469571542.db2.gz RJURBPBZNMUPRF-GFCCVEGCSA-N 2 2 349.866 2.388 10 0 EEAELP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000617013225 469572195 /nfs/dbraw/zinc/57/21/95/469572195.db2.gz PEDKRKIBSRJTLY-DLBZAZTESA-N 2 2 339.524 2.112 10 0 EEAELP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000617013225 469572197 /nfs/dbraw/zinc/57/21/97/469572197.db2.gz PEDKRKIBSRJTLY-DLBZAZTESA-N 2 2 339.524 2.112 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623428914 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UVSSFDJGMOYEOZ-YEWWUXTCSA-N 2 2 326.444 2.322 10 0 EEAELP CC[N@H+](CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000626924540 469756778 /nfs/dbraw/zinc/75/67/78/469756778.db2.gz AOFZXIRMONGHTM-KRWDZBQOSA-N 2 2 330.476 2.487 10 0 EEAELP CC[N@@H+](CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000626924540 469756779 /nfs/dbraw/zinc/75/67/79/469756779.db2.gz AOFZXIRMONGHTM-KRWDZBQOSA-N 2 2 330.476 2.487 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C[NH2+]1 ZINC000626981257 469776380 /nfs/dbraw/zinc/77/63/80/469776380.db2.gz ZLNUCHJVFMEVHJ-LALPHHSUSA-N 2 2 340.418 2.007 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000620621891 469876710 /nfs/dbraw/zinc/87/67/10/469876710.db2.gz YWUOZOSZLQZIGC-JKSUJKDBSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](CC)[NH+]1CCO[C@@H](CC)C1 ZINC000620621891 469876714 /nfs/dbraw/zinc/87/67/14/469876714.db2.gz YWUOZOSZLQZIGC-JKSUJKDBSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@@H](CC)C1 ZINC000620621891 469876716 /nfs/dbraw/zinc/87/67/16/469876716.db2.gz YWUOZOSZLQZIGC-JKSUJKDBSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](CC)[N@H+]1CCO[C@@H](CC)C1 ZINC000620621891 469876717 /nfs/dbraw/zinc/87/67/17/469876717.db2.gz YWUOZOSZLQZIGC-JKSUJKDBSA-N 2 2 327.513 2.112 10 0 EEAELP CCn1cc[nH+]c1NCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000630954167 470036256 /nfs/dbraw/zinc/03/62/56/470036256.db2.gz GDJTVQMCGOUMGO-UHFFFAOYSA-N 2 2 330.432 2.226 10 0 EEAELP OC[C@@H]1CCC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)C1 ZINC000631158815 470082370 /nfs/dbraw/zinc/08/23/70/470082370.db2.gz GXEUKBHBFHKXDJ-MOPGFXCFSA-N 2 2 348.487 2.038 10 0 EEAELP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631463793 470146694 /nfs/dbraw/zinc/14/66/94/470146694.db2.gz CRZCBJMERVTYJZ-MAUKXSAKSA-N 2 2 326.444 2.213 10 0 EEAELP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631463793 470146695 /nfs/dbraw/zinc/14/66/95/470146695.db2.gz CRZCBJMERVTYJZ-MAUKXSAKSA-N 2 2 326.444 2.213 10 0 EEAELP Clc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(-n2cncn2)c1 ZINC000631889633 470189742 /nfs/dbraw/zinc/18/97/42/470189742.db2.gz IKWBNDSTTFTVEZ-BBRMVZONSA-N 2 2 331.851 2.495 10 0 EEAELP Clc1ccc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c(-n2cncn2)c1 ZINC000631889633 470189743 /nfs/dbraw/zinc/18/97/43/470189743.db2.gz IKWBNDSTTFTVEZ-BBRMVZONSA-N 2 2 331.851 2.495 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H](C)c3ccncc3)CC2)CC1 ZINC000633458559 470474183 /nfs/dbraw/zinc/47/41/83/470474183.db2.gz JHMNKCMIDBRQBU-KRWDZBQOSA-N 2 2 344.503 2.204 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H](C)c3ccncc3)CC2)CC1 ZINC000633458559 470474190 /nfs/dbraw/zinc/47/41/90/470474190.db2.gz JHMNKCMIDBRQBU-KRWDZBQOSA-N 2 2 344.503 2.204 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)CC1 ZINC000646117428 470533617 /nfs/dbraw/zinc/53/36/17/470533617.db2.gz ZTADZZVALWKKQZ-IBGZPJMESA-N 2 2 325.456 2.154 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2CC3(CC=CC3)[C@@H]2c2ccccc2)CC1 ZINC000646117428 470533622 /nfs/dbraw/zinc/53/36/22/470533622.db2.gz ZTADZZVALWKKQZ-IBGZPJMESA-N 2 2 325.456 2.154 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635416201 470576416 /nfs/dbraw/zinc/57/64/16/470576416.db2.gz OKSRJMDXEVVUOD-HUUCEWRRSA-N 2 2 330.407 2.243 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635416201 470576419 /nfs/dbraw/zinc/57/64/19/470576419.db2.gz OKSRJMDXEVVUOD-HUUCEWRRSA-N 2 2 330.407 2.243 10 0 EEAELP CCn1cc[nH+]c1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000649750463 470684837 /nfs/dbraw/zinc/68/48/37/470684837.db2.gz OQLNVWCOMANOEO-MOPGFXCFSA-N 2 2 340.471 2.378 10 0 EEAELP CCn1cc[nH+]c1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000649750463 470684841 /nfs/dbraw/zinc/68/48/41/470684841.db2.gz OQLNVWCOMANOEO-MOPGFXCFSA-N 2 2 340.471 2.378 10 0 EEAELP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000643427464 470695756 /nfs/dbraw/zinc/69/57/56/470695756.db2.gz HIMAVAORUIQFNU-UHFFFAOYSA-N 3 2 329.488 2.489 10 0 EEAELP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480973 470911486 /nfs/dbraw/zinc/91/14/86/470911486.db2.gz KQDRAQHKSKBDHR-CVEARBPZSA-N 2 2 332.444 2.430 10 0 EEAELP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000647480973 470911489 /nfs/dbraw/zinc/91/14/89/470911489.db2.gz KQDRAQHKSKBDHR-CVEARBPZSA-N 2 2 332.444 2.430 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1F ZINC000647528154 470923434 /nfs/dbraw/zinc/92/34/34/470923434.db2.gz PNNVEULJTDGVGK-XAUMDUMWSA-N 2 2 346.446 2.330 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1F ZINC000647528154 470923438 /nfs/dbraw/zinc/92/34/38/470923438.db2.gz PNNVEULJTDGVGK-XAUMDUMWSA-N 2 2 346.446 2.330 10 0 EEAELP Cn1c2ccc(NC(=O)COC3(C)C[NH2+]C3)cc2[nH+]c1C(C)(C)C ZINC000648160129 471105403 /nfs/dbraw/zinc/10/54/03/471105403.db2.gz ABWDXAQUBUQPNN-UHFFFAOYSA-N 2 2 330.432 2.188 10 0 EEAELP Cc1c[nH+]cn1C1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC000651760578 471107277 /nfs/dbraw/zinc/10/72/77/471107277.db2.gz HOBVQKDBVQSDDO-UHFFFAOYSA-N 2 2 327.432 2.131 10 0 EEAELP C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CS1(=O)=O ZINC000657637336 471195221 /nfs/dbraw/zinc/19/52/21/471195221.db2.gz HIRXGGSKQKTIOZ-GDBMZVCRSA-N 2 2 328.522 2.339 10 0 EEAELP Cc1[nH+]cc(C[NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)n1C ZINC000657703260 471213747 /nfs/dbraw/zinc/21/37/47/471213747.db2.gz MTFXCKRLHSGJDI-UHFFFAOYSA-N 2 2 339.487 2.173 10 0 EEAELP Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341234 471274122 /nfs/dbraw/zinc/27/41/22/471274122.db2.gz VSGDXFOJPAVKQP-HXUWFJFHSA-N 2 2 335.451 2.314 10 0 EEAELP Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341234 471274125 /nfs/dbraw/zinc/27/41/25/471274125.db2.gz VSGDXFOJPAVKQP-HXUWFJFHSA-N 2 2 335.451 2.314 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CCOCC1 ZINC000658345065 471291139 /nfs/dbraw/zinc/29/11/39/471291139.db2.gz YLZSXFKYIFAEOH-FXAWDEMLSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CCOCC1 ZINC000658345065 471291142 /nfs/dbraw/zinc/29/11/42/471291142.db2.gz YLZSXFKYIFAEOH-FXAWDEMLSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666461406 471411358 /nfs/dbraw/zinc/41/13/58/471411358.db2.gz GZZPTPVPFUDHOZ-OWCLPIDISA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666461406 471411362 /nfs/dbraw/zinc/41/13/62/471411362.db2.gz GZZPTPVPFUDHOZ-OWCLPIDISA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666461406 471411372 /nfs/dbraw/zinc/41/13/72/471411372.db2.gz GZZPTPVPFUDHOZ-OWCLPIDISA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666461406 471411376 /nfs/dbraw/zinc/41/13/76/471411376.db2.gz GZZPTPVPFUDHOZ-OWCLPIDISA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000660636559 471426131 /nfs/dbraw/zinc/42/61/31/471426131.db2.gz VRIIPNWIIKZNHZ-HUUCEWRRSA-N 2 2 329.448 2.301 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1[nH+]ccn1C ZINC000660636559 471426135 /nfs/dbraw/zinc/42/61/35/471426135.db2.gz VRIIPNWIIKZNHZ-HUUCEWRRSA-N 2 2 329.448 2.301 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1c(F)cccc1Cl ZINC000666637553 471474355 /nfs/dbraw/zinc/47/43/55/471474355.db2.gz SCLPGPKYANQQHK-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1c(F)cccc1Cl ZINC000666637553 471474359 /nfs/dbraw/zinc/47/43/59/471474359.db2.gz SCLPGPKYANQQHK-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000653095836 471484079 /nfs/dbraw/zinc/48/40/79/471484079.db2.gz XRGUEQRGTLFYNK-RYUDHWBXSA-N 2 2 337.773 2.339 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1cc2ccccc2o1 ZINC000663719998 471490003 /nfs/dbraw/zinc/49/00/03/471490003.db2.gz MJMXSAYJGIKJGK-UHFFFAOYSA-N 2 2 332.448 2.116 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1cc2ccccc2o1 ZINC000663719998 471490008 /nfs/dbraw/zinc/49/00/08/471490008.db2.gz MJMXSAYJGIKJGK-UHFFFAOYSA-N 2 2 332.448 2.116 10 0 EEAELP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nn1 ZINC000655938311 471551034 /nfs/dbraw/zinc/55/10/34/471551034.db2.gz RNBZRPGDCZGEBZ-TZMCWYRMSA-N 2 2 344.381 2.382 10 0 EEAELP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nn1 ZINC000655938311 471551041 /nfs/dbraw/zinc/55/10/41/471551041.db2.gz RNBZRPGDCZGEBZ-TZMCWYRMSA-N 2 2 344.381 2.382 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[N@@H+]1C ZINC000653564899 471668241 /nfs/dbraw/zinc/66/82/41/471668241.db2.gz QXISLSLMJMODFJ-DGCLKSJQSA-N 2 2 332.370 2.332 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[N@H+]1C ZINC000653564899 471668245 /nfs/dbraw/zinc/66/82/45/471668245.db2.gz QXISLSLMJMODFJ-DGCLKSJQSA-N 2 2 332.370 2.332 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[NH+]1C ZINC000653564899 471668251 /nfs/dbraw/zinc/66/82/51/471668251.db2.gz QXISLSLMJMODFJ-DGCLKSJQSA-N 2 2 332.370 2.332 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC(F)(F)F)nn2)CC[NH+]1C ZINC000653564899 471668257 /nfs/dbraw/zinc/66/82/57/471668257.db2.gz QXISLSLMJMODFJ-DGCLKSJQSA-N 2 2 332.370 2.332 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653679890 471710028 /nfs/dbraw/zinc/71/00/28/471710028.db2.gz ZOSKMKAOTLULDJ-VQTJNVASSA-N 2 2 325.456 2.364 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653679890 471710035 /nfs/dbraw/zinc/71/00/35/471710035.db2.gz ZOSKMKAOTLULDJ-VQTJNVASSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000653679890 471710040 /nfs/dbraw/zinc/71/00/40/471710040.db2.gz ZOSKMKAOTLULDJ-VQTJNVASSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000653679890 471710045 /nfs/dbraw/zinc/71/00/45/471710045.db2.gz ZOSKMKAOTLULDJ-VQTJNVASSA-N 2 2 325.456 2.364 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000653780108 471738888 /nfs/dbraw/zinc/73/88/88/471738888.db2.gz VSAPNHACYRVZOD-HNNXBMFYSA-N 2 2 346.393 2.223 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000653780108 471738893 /nfs/dbraw/zinc/73/88/93/471738893.db2.gz VSAPNHACYRVZOD-HNNXBMFYSA-N 2 2 346.393 2.223 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000667355691 471752525 /nfs/dbraw/zinc/75/25/25/471752525.db2.gz AVCJKZLWLLVVGN-CZUORRHYSA-N 2 2 330.432 2.307 10 0 EEAELP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cccc(F)c1F ZINC000664560921 471795382 /nfs/dbraw/zinc/79/53/82/471795382.db2.gz UFKJFNMFSQMOML-ZDUSSCGKSA-N 2 2 342.434 2.209 10 0 EEAELP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cccc(F)c1F ZINC000664560921 471795388 /nfs/dbraw/zinc/79/53/88/471795388.db2.gz UFKJFNMFSQMOML-ZDUSSCGKSA-N 2 2 342.434 2.209 10 0 EEAELP COc1ccccc1C[N@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667530288 471811141 /nfs/dbraw/zinc/81/11/41/471811141.db2.gz UWXTXTDSLOKHML-UHFFFAOYSA-N 2 2 338.411 2.270 10 0 EEAELP COc1ccccc1C[N@@H+](CCO)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667530288 471811145 /nfs/dbraw/zinc/81/11/45/471811145.db2.gz UWXTXTDSLOKHML-UHFFFAOYSA-N 2 2 338.411 2.270 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667569690 471826818 /nfs/dbraw/zinc/82/68/18/471826818.db2.gz QJNJKPXZPRAXSN-XUWVNRHRSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667569690 471826819 /nfs/dbraw/zinc/82/68/19/471826819.db2.gz QJNJKPXZPRAXSN-XUWVNRHRSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667569690 471826820 /nfs/dbraw/zinc/82/68/20/471826820.db2.gz QJNJKPXZPRAXSN-XUWVNRHRSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667569690 471826824 /nfs/dbraw/zinc/82/68/24/471826824.db2.gz QJNJKPXZPRAXSN-XUWVNRHRSA-N 2 2 330.476 2.378 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CCn3cc[nH+]c32)cc1F ZINC000665259550 471983094 /nfs/dbraw/zinc/98/30/94/471983094.db2.gz IUJMRYRLDHTELE-IMJJTQAJSA-N 2 2 330.407 2.211 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC000662335732 472076136 /nfs/dbraw/zinc/07/61/36/472076136.db2.gz PMRSDFVSXIIUJS-DXCKQFNASA-N 2 2 328.403 2.482 10 0 EEAELP COc1ccc([C@H](C[NH3+])C[N@H+]2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1 ZINC000662335732 472076142 /nfs/dbraw/zinc/07/61/42/472076142.db2.gz PMRSDFVSXIIUJS-DXCKQFNASA-N 2 2 328.403 2.482 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508012 472133058 /nfs/dbraw/zinc/13/30/58/472133058.db2.gz QSBGZDYZFUDFBY-JGFGOQIWSA-N 2 2 339.842 2.340 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662508012 472133061 /nfs/dbraw/zinc/13/30/61/472133061.db2.gz QSBGZDYZFUDFBY-JGFGOQIWSA-N 2 2 339.842 2.340 10 0 EEAELP C[C@@H](Cc1ccco1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668617205 472195929 /nfs/dbraw/zinc/19/59/29/472195929.db2.gz ISYAMGZNRSFEGY-RDJZCZTQSA-N 2 2 333.476 2.085 10 0 EEAELP C[C@@H](Cc1ccco1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668617205 472195935 /nfs/dbraw/zinc/19/59/35/472195935.db2.gz ISYAMGZNRSFEGY-RDJZCZTQSA-N 2 2 333.476 2.085 10 0 EEAELP CO[C@@H](C)c1cccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665949366 472248571 /nfs/dbraw/zinc/24/85/71/472248571.db2.gz PFIYKBKKCZWCAU-HNNXBMFYSA-N 2 2 336.480 2.399 10 0 EEAELP CO[C@@H](C)c1cccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665949366 472248576 /nfs/dbraw/zinc/24/85/76/472248576.db2.gz PFIYKBKKCZWCAU-HNNXBMFYSA-N 2 2 336.480 2.399 10 0 EEAELP CC[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000679044712 485572084 /nfs/dbraw/zinc/57/20/84/485572084.db2.gz PUDJKDLZRDHLJK-SLFFLAALSA-N 2 2 332.488 2.418 10 0 EEAELP CC[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000679044712 485572089 /nfs/dbraw/zinc/57/20/89/485572089.db2.gz PUDJKDLZRDHLJK-SLFFLAALSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000660655856 485590796 /nfs/dbraw/zinc/59/07/96/485590796.db2.gz QJSMUGYGZDGAPM-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000660655856 485590800 /nfs/dbraw/zinc/59/08/00/485590800.db2.gz QJSMUGYGZDGAPM-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(F)cc1 ZINC000660655856 485590804 /nfs/dbraw/zinc/59/08/04/485590804.db2.gz QJSMUGYGZDGAPM-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(F)cc1 ZINC000660655856 485590809 /nfs/dbraw/zinc/59/08/09/485590809.db2.gz QJSMUGYGZDGAPM-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000599670695 485625145 /nfs/dbraw/zinc/62/51/45/485625145.db2.gz YSGMTJSKBUXING-UHFFFAOYSA-N 2 2 326.481 2.295 10 0 EEAELP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cn[nH]c3)[nH+]c12 ZINC000680483165 485983110 /nfs/dbraw/zinc/98/31/10/485983110.db2.gz VLGLMPGONIYWQP-UHFFFAOYSA-N 2 2 334.221 2.461 10 0 EEAELP Cc1nc2[nH]ccc2c(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000676353391 486214926 /nfs/dbraw/zinc/21/49/26/486214926.db2.gz ZXKDHYGSNPFQJC-UHFFFAOYSA-N 2 2 342.491 2.261 10 0 EEAELP CC[C@H](C)n1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682900514 486580252 /nfs/dbraw/zinc/58/02/52/486580252.db2.gz VAQMELFMKMPATB-GOEBONIOSA-N 2 2 347.507 2.061 10 0 EEAELP CC[C@H](C)n1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682900514 486580254 /nfs/dbraw/zinc/58/02/54/486580254.db2.gz VAQMELFMKMPATB-GOEBONIOSA-N 2 2 347.507 2.061 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccccc2C)[C@H](C)C1 ZINC000174777558 527754276 /nfs/dbraw/zinc/75/42/76/527754276.db2.gz LHAHFDQHUHBFGZ-IEBWSBKVSA-N 2 2 331.504 2.316 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccccc2C)[C@H](C)C1 ZINC000174777558 527754281 /nfs/dbraw/zinc/75/42/81/527754281.db2.gz LHAHFDQHUHBFGZ-IEBWSBKVSA-N 2 2 331.504 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccccc2C)[C@H](C)C1 ZINC000174777558 527754286 /nfs/dbraw/zinc/75/42/86/527754286.db2.gz LHAHFDQHUHBFGZ-IEBWSBKVSA-N 2 2 331.504 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccccc2C)[C@H](C)C1 ZINC000174777558 527754289 /nfs/dbraw/zinc/75/42/89/527754289.db2.gz LHAHFDQHUHBFGZ-IEBWSBKVSA-N 2 2 331.504 2.316 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(C)C)[C@H](C)C1 ZINC000129604631 527824972 /nfs/dbraw/zinc/82/49/72/527824972.db2.gz WGQFUIJJBRSKAH-CVEARBPZSA-N 2 2 335.496 2.411 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(C)C)[C@H](C)C1 ZINC000129604631 527824975 /nfs/dbraw/zinc/82/49/75/527824975.db2.gz WGQFUIJJBRSKAH-CVEARBPZSA-N 2 2 335.496 2.411 10 0 EEAELP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422795996 535612863 /nfs/dbraw/zinc/61/28/63/535612863.db2.gz XGKYFUNBEUJBKN-WOJBJXKFSA-N 3 2 331.504 2.385 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000765307593 577499064 /nfs/dbraw/zinc/49/90/64/577499064.db2.gz AHBDQVJNKLJSTE-HZPDHXFCSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000765307593 577499065 /nfs/dbraw/zinc/49/90/65/577499065.db2.gz AHBDQVJNKLJSTE-HZPDHXFCSA-N 2 2 337.414 2.311 10 0 EEAELP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000753366930 577785855 /nfs/dbraw/zinc/78/58/55/577785855.db2.gz FPPTYQHNMPKHIF-GJZGRUSLSA-N 2 2 330.457 2.158 10 0 EEAELP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000753366930 577785856 /nfs/dbraw/zinc/78/58/56/577785856.db2.gz FPPTYQHNMPKHIF-GJZGRUSLSA-N 2 2 330.457 2.158 10 0 EEAELP COCCCn1nccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556943 684641679 /nfs/dbraw/zinc/64/16/79/684641679.db2.gz NPFFCWOVEXFSAN-INIZCTEOSA-N 2 2 329.448 2.025 10 0 EEAELP COCCCn1nccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000895556943 684641680 /nfs/dbraw/zinc/64/16/80/684641680.db2.gz NPFFCWOVEXFSAN-INIZCTEOSA-N 2 2 329.448 2.025 10 0 EEAELP CN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CC[NH+](C)CC1 ZINC000899908914 693917557 /nfs/dbraw/zinc/91/75/57/693917557.db2.gz HAAXZYYZOPXUEI-UHFFFAOYSA-N 2 2 341.459 2.161 10 0 EEAELP CC(C)(CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC000898901837 693515064 /nfs/dbraw/zinc/51/50/64/693515064.db2.gz NNNGOVHVGPIHGE-KRWDZBQOSA-N 2 2 341.459 2.042 10 0 EEAELP CC(C)(CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC000898901837 693515068 /nfs/dbraw/zinc/51/50/68/693515068.db2.gz NNNGOVHVGPIHGE-KRWDZBQOSA-N 2 2 341.459 2.042 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)c[nH+]1 ZINC000899156401 693636365 /nfs/dbraw/zinc/63/63/65/693636365.db2.gz QKIZTZKRYHIHGX-UHFFFAOYSA-N 2 2 338.455 2.271 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485508462 1191819920 /nfs/dbraw/zinc/81/99/20/1191819920.db2.gz FPPVPHXFROISAA-KUHUBIRLSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001485508462 1191819921 /nfs/dbraw/zinc/81/99/21/1191819921.db2.gz FPPVPHXFROISAA-KUHUBIRLSA-N 2 2 338.455 2.466 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570802 1191840096 /nfs/dbraw/zinc/84/00/96/1191840096.db2.gz GMIJSMVUHKAWHN-GOEBONIOSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2C[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570802 1191840097 /nfs/dbraw/zinc/84/00/97/1191840097.db2.gz GMIJSMVUHKAWHN-GOEBONIOSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570802 1191840099 /nfs/dbraw/zinc/84/00/99/1191840099.db2.gz GMIJSMVUHKAWHN-GOEBONIOSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570802 1191840101 /nfs/dbraw/zinc/84/01/01/1191840101.db2.gz GMIJSMVUHKAWHN-GOEBONIOSA-N 2 2 348.491 2.355 10 0 EEAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001485642814 1191876486 /nfs/dbraw/zinc/87/64/86/1191876486.db2.gz FTAGTPFFPLWUEL-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001266886443 1177710188 /nfs/dbraw/zinc/71/01/88/1177710188.db2.gz NMDYBBQWVKVFJN-QZTJIDSGSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCOC1CCC1 ZINC001267138011 1178312039 /nfs/dbraw/zinc/31/20/39/1178312039.db2.gz KEOIZKFBURWRSL-CQSZACIVSA-N 2 2 330.432 2.001 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC001267394431 1178965113 /nfs/dbraw/zinc/96/51/13/1178965113.db2.gz FBZYLOBDNWUJQF-HNNXBMFYSA-N 2 2 332.473 2.064 10 0 EEAELP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001481053297 1179635848 /nfs/dbraw/zinc/63/58/48/1179635848.db2.gz GECZXWNFDRKLRJ-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001481053297 1179635850 /nfs/dbraw/zinc/63/58/50/1179635850.db2.gz GECZXWNFDRKLRJ-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@@H]3CC[N@@H+](CC[C@H](C)F)C3)[nH+]c12 ZINC001481114144 1179768650 /nfs/dbraw/zinc/76/86/50/1179768650.db2.gz HJWJNHWATGIBGF-HOTGVXAUSA-N 2 2 346.450 2.371 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@@H]3CC[N@H+](CC[C@H](C)F)C3)[nH+]c12 ZINC001481114144 1179768654 /nfs/dbraw/zinc/76/86/54/1179768654.db2.gz HJWJNHWATGIBGF-HOTGVXAUSA-N 2 2 346.450 2.371 10 0 EEAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC[C@H]1CCOC1 ZINC001267811538 1180566034 /nfs/dbraw/zinc/56/60/34/1180566034.db2.gz KZXFQZVXZRAXIC-HOTGVXAUSA-N 2 2 344.459 2.249 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC(CC[NH2+]CC=C(Cl)Cl)CC1 ZINC001267915942 1180758500 /nfs/dbraw/zinc/75/85/00/1180758500.db2.gz SLXHWJYWGKIROM-UHFFFAOYSA-N 2 2 345.274 2.490 10 0 EEAELP C[C@@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268066595 1181660047 /nfs/dbraw/zinc/66/00/47/1181660047.db2.gz BFVHGIQCADMGHQ-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP C[C@@H](C[NH2+]CCCC1CCOCC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268066595 1181660048 /nfs/dbraw/zinc/66/00/48/1181660048.db2.gz BFVHGIQCADMGHQ-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP C[N@H+](CC(=O)NC1C[NH+](CCCCC(F)(F)F)C1)CC(C)(C)C ZINC001268455031 1182690931 /nfs/dbraw/zinc/69/09/31/1182690931.db2.gz UHVLQZOURUZAPP-UHFFFAOYSA-N 2 2 337.430 2.497 10 0 EEAELP C[N@@H+](CC(=O)NC1C[NH+](CCCCC(F)(F)F)C1)CC(C)(C)C ZINC001268455031 1182690938 /nfs/dbraw/zinc/69/09/38/1182690938.db2.gz UHVLQZOURUZAPP-UHFFFAOYSA-N 2 2 337.430 2.497 10 0 EEAELP CC[C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CC=C(C)C ZINC001481813635 1182729319 /nfs/dbraw/zinc/72/93/19/1182729319.db2.gz JWWBMEHZQRYMRS-RHSMWYFYSA-N 2 2 333.480 2.241 10 0 EEAELP CC[C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CC=C(C)C ZINC001481813635 1182729325 /nfs/dbraw/zinc/72/93/25/1182729325.db2.gz JWWBMEHZQRYMRS-RHSMWYFYSA-N 2 2 333.480 2.241 10 0 EEAELP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268460563 1182745042 /nfs/dbraw/zinc/74/50/42/1182745042.db2.gz VNECEUIGNRRYQY-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268460826 1182745422 /nfs/dbraw/zinc/74/54/22/1182745422.db2.gz WJAOYHKRFVFFBW-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)Cn1cc[nH+]c1 ZINC001268502760 1183050372 /nfs/dbraw/zinc/05/03/72/1183050372.db2.gz SSWDQTZXOAZTMQ-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001482146914 1183460382 /nfs/dbraw/zinc/46/03/82/1183460382.db2.gz RLWNDRZPJPQDTE-GDBMZVCRSA-N 2 2 343.475 2.388 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268665128 1183592740 /nfs/dbraw/zinc/59/27/40/1183592740.db2.gz PCYSFNMTHZIFBB-ZIAGYGMSSA-N 2 2 339.443 2.364 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268665128 1183592742 /nfs/dbraw/zinc/59/27/42/1183592742.db2.gz PCYSFNMTHZIFBB-ZIAGYGMSSA-N 2 2 339.443 2.364 10 0 EEAELP C[C@@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268705830 1183627732 /nfs/dbraw/zinc/62/77/32/1183627732.db2.gz NPZCBRZRFNGUSQ-NSHDSACASA-N 2 2 338.814 2.082 10 0 EEAELP CCCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001268742136 1183659904 /nfs/dbraw/zinc/65/99/04/1183659904.db2.gz DILGFIZAMVGKSY-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001268742136 1183659908 /nfs/dbraw/zinc/65/99/08/1183659908.db2.gz DILGFIZAMVGKSY-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001268742136 1183659914 /nfs/dbraw/zinc/65/99/14/1183659914.db2.gz DILGFIZAMVGKSY-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001268742136 1183659918 /nfs/dbraw/zinc/65/99/18/1183659918.db2.gz DILGFIZAMVGKSY-FUHWJXTLSA-N 2 2 339.524 2.257 10 0 EEAELP O=C(NC[C@H]1C[C@H]([NH2+]CCCCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001691506370 1184866003 /nfs/dbraw/zinc/86/60/03/1184866003.db2.gz OHGWFMANIKBMAL-JYJNAYRXSA-N 2 2 336.455 2.070 10 0 EEAELP C[C@H](C[NH2+]CCCCC(F)(F)F)N(C)C(=O)Cc1c[nH+]cn1C ZINC001271172383 1186051507 /nfs/dbraw/zinc/05/15/07/1186051507.db2.gz XSIMGXVRYONXMP-GFCCVEGCSA-N 2 2 334.386 2.132 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1C)C(=O)CCc1[nH+]ccn1C ZINC001482939348 1187862603 /nfs/dbraw/zinc/86/26/03/1187862603.db2.gz OAOFHNFLHDJLKO-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP CCN(CC[NH2+][C@H]1CCCc2ccccc21)C(=O)Cn1cc[nH+]c1 ZINC001482971536 1187909337 /nfs/dbraw/zinc/90/93/37/1187909337.db2.gz JYOAXQZIHJHDNM-SFHVURJKSA-N 2 2 326.444 2.399 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C(F)F)c1)C(=O)Cn1cc[nH+]c1 ZINC001482972450 1187914045 /nfs/dbraw/zinc/91/40/45/1187914045.db2.gz ZJEIBZZHFRMXIC-UHFFFAOYSA-N 2 2 336.386 2.459 10 0 EEAELP Cc1ccncc1C[NH2+]CC1CC(NC(=O)CCCn2cc[nH+]c2)C1 ZINC001409275784 1188582610 /nfs/dbraw/zinc/58/26/10/1188582610.db2.gz GVPRDASSRFHBOQ-UHFFFAOYSA-N 2 2 341.459 2.051 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001272874564 1193587782 /nfs/dbraw/zinc/58/77/82/1193587782.db2.gz XANUQPPTRGYVET-WMZOPIPTSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001409371836 1189592917 /nfs/dbraw/zinc/59/29/17/1189592917.db2.gz KOYAWUYSOBRMCA-UONOGXRCSA-N 2 2 346.475 2.163 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001485929402 1193649012 /nfs/dbraw/zinc/64/90/12/1193649012.db2.gz WPMBBGWCVOJTFQ-OLZOCXBDSA-N 2 2 335.477 2.236 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CC/C=C\c1ccccc1 ZINC001485937793 1193651814 /nfs/dbraw/zinc/65/18/14/1193651814.db2.gz JKYOBOUVHUDEJC-CXSQMQJXSA-N 2 2 326.444 2.492 10 0 EEAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]CC=C(Cl)Cl ZINC001485944114 1193653934 /nfs/dbraw/zinc/65/39/34/1193653934.db2.gz KUBWINMUEHHBCX-SNVBAGLBSA-N 2 2 333.263 2.443 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc2ccccc2o1 ZINC001485962849 1193655335 /nfs/dbraw/zinc/65/53/35/1193655335.db2.gz ONDUYRDAFZJORF-AWEZNQCLSA-N 2 2 326.400 2.266 10 0 EEAELP COc1cccc(C[NH2+]C[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1C ZINC001483269718 1190292997 /nfs/dbraw/zinc/29/29/97/1190292997.db2.gz VWXBBOWNGQUZNC-GJZGRUSLSA-N 2 2 344.459 2.446 10 0 EEAELP CN(CCC[NH2+]Cc1c(F)cccc1Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494339 1190511368 /nfs/dbraw/zinc/51/13/68/1190511368.db2.gz DZSFWGQROGGKNO-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP O=C(N[C@H](C[NH2+]CC1CCCC1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483571712 1190560228 /nfs/dbraw/zinc/56/02/28/1190560228.db2.gz SCTQYVJMGKGDJU-SJLPKXTDSA-N 2 2 330.476 2.120 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCn1cc[nH+]c1 ZINC001486117659 1193686923 /nfs/dbraw/zinc/68/69/23/1193686923.db2.gz LRVVDPOAAWGJCR-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1cccnc1C[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCCCC1 ZINC001409810788 1190639696 /nfs/dbraw/zinc/63/96/96/1190639696.db2.gz VCPOQWZHLXHLKC-UHFFFAOYSA-N 2 2 341.459 2.265 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCOCC2CCC2)C[C@H]1C ZINC001483914457 1191114523 /nfs/dbraw/zinc/11/45/23/1191114523.db2.gz AEIINBZYULGZAD-RHSMWYFYSA-N 2 2 348.491 2.046 10 0 EEAELP C[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001484061904 1191188419 /nfs/dbraw/zinc/18/84/19/1191188419.db2.gz YIJIKGHOUNAJDY-YJBOKZPZSA-N 2 2 327.432 2.010 10 0 EEAELP C[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001484061904 1191188421 /nfs/dbraw/zinc/18/84/21/1191188421.db2.gz YIJIKGHOUNAJDY-YJBOKZPZSA-N 2 2 327.432 2.010 10 0 EEAELP C[C@]1(C[NH2+]C/C=C\Cl)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001484098824 1191210216 /nfs/dbraw/zinc/21/02/16/1191210216.db2.gz AXUAKZUCDCTKJA-DDOFBTJDSA-N 2 2 336.867 2.026 10 0 EEAELP CC1(CNC(=O)Cn2cc[nH+]c2)CC[NH+](CCc2cccs2)CC1 ZINC001484147099 1191235474 /nfs/dbraw/zinc/23/54/74/1191235474.db2.gz OZQJUFNRIORDLO-UHFFFAOYSA-N 2 2 346.500 2.406 10 0 EEAELP C[C@]1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC[N@H+](CC2CCC2)C1 ZINC001484164653 1191252760 /nfs/dbraw/zinc/25/27/60/1191252760.db2.gz ZPLZLVOUWOMKGU-YLJYHZDGSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@]1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC[N@@H+](CC2CCC2)C1 ZINC001484164653 1191252761 /nfs/dbraw/zinc/25/27/61/1191252761.db2.gz ZPLZLVOUWOMKGU-YLJYHZDGSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]C[C@@H]2CC(C)(C)CO2)CCC1 ZINC001484655222 1191457963 /nfs/dbraw/zinc/45/79/63/1191457963.db2.gz PKRGPTOPXAWCOL-HOCLYGCPSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]C[C@@H]2CC(C)(C)CO2)CCC1 ZINC001484655222 1191457965 /nfs/dbraw/zinc/45/79/65/1191457965.db2.gz PKRGPTOPXAWCOL-HOCLYGCPSA-N 2 2 348.491 2.032 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@H+](C)Cc1nc(C)sc1C ZINC001484749825 1191506348 /nfs/dbraw/zinc/50/63/48/1191506348.db2.gz ARPPOOJRKLDVKR-UHFFFAOYSA-N 2 2 349.504 2.245 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CCC[N@@H+](C)Cc1nc(C)sc1C ZINC001484749825 1191506349 /nfs/dbraw/zinc/50/63/49/1191506349.db2.gz ARPPOOJRKLDVKR-UHFFFAOYSA-N 2 2 349.504 2.245 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001484979018 1191605553 /nfs/dbraw/zinc/60/55/53/1191605553.db2.gz XAVVVZXJKBPAAW-IAGOWNOFSA-N 2 2 336.480 2.057 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@H](NC(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001484979018 1191605555 /nfs/dbraw/zinc/60/55/55/1191605555.db2.gz XAVVVZXJKBPAAW-IAGOWNOFSA-N 2 2 336.480 2.057 10 0 EEAELP CC[C@H](F)C[NH2+]CC1CC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001485105722 1191656266 /nfs/dbraw/zinc/65/62/66/1191656266.db2.gz YCUZHLFLLBTUIW-PCKAHOCUSA-N 2 2 346.450 2.418 10 0 EEAELP Cc1oncc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485163973 1191675495 /nfs/dbraw/zinc/67/54/95/1191675495.db2.gz QWDDZVFXDLFVSQ-WDEREUQCSA-N 2 2 327.388 2.156 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccsc1 ZINC001485165572 1191676425 /nfs/dbraw/zinc/67/64/25/1191676425.db2.gz YERBZSWPRDECQK-QWHCGFSZSA-N 2 2 333.457 2.377 10 0 EEAELP CCc1ccc(CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001485202386 1191684123 /nfs/dbraw/zinc/68/41/23/1191684123.db2.gz RXJURPFDAWGCHW-CABCVRRESA-N 2 2 328.460 2.240 10 0 EEAELP Cc1nocc1C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001485263565 1191710066 /nfs/dbraw/zinc/71/00/66/1191710066.db2.gz JKSRKJIIOCIGTA-UHFFFAOYSA-N 2 2 347.463 2.258 10 0 EEAELP Cc1nc(CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001485360616 1191753589 /nfs/dbraw/zinc/75/35/89/1191753589.db2.gz PFUMMWSNKHMUQO-STQMWFEESA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001485360616 1191753591 /nfs/dbraw/zinc/75/35/91/1191753591.db2.gz PFUMMWSNKHMUQO-STQMWFEESA-N 2 2 349.504 2.032 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ns2)[C@@H]1C ZINC001486185742 1193727280 /nfs/dbraw/zinc/72/72/80/1193727280.db2.gz JVYVFWHEDLCTIM-GDBMZVCRSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ns2)[C@@H]1C ZINC001486185742 1193727282 /nfs/dbraw/zinc/72/72/82/1193727282.db2.gz JVYVFWHEDLCTIM-GDBMZVCRSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ns2)[C@@H]1C ZINC001486185742 1193727285 /nfs/dbraw/zinc/72/72/85/1193727285.db2.gz JVYVFWHEDLCTIM-GDBMZVCRSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ns2)[C@@H]1C ZINC001486185742 1193727288 /nfs/dbraw/zinc/72/72/88/1193727288.db2.gz JVYVFWHEDLCTIM-GDBMZVCRSA-N 2 2 338.521 2.262 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C(F)(F)F ZINC001486254813 1193782809 /nfs/dbraw/zinc/78/28/09/1193782809.db2.gz YDHLUPRZPJPITL-JSGCOSHPSA-N 2 2 346.397 2.369 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC001486254813 1193782812 /nfs/dbraw/zinc/78/28/12/1193782812.db2.gz YDHLUPRZPJPITL-JSGCOSHPSA-N 2 2 346.397 2.369 10 0 EEAELP CC(C)[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001486398448 1193899465 /nfs/dbraw/zinc/89/94/65/1193899465.db2.gz AYSNRVZHHWBDBH-JKSUJKDBSA-N 2 2 335.496 2.319 10 0 EEAELP CC(C)[NH2+]C[C@@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001486398448 1193899469 /nfs/dbraw/zinc/89/94/69/1193899469.db2.gz AYSNRVZHHWBDBH-JKSUJKDBSA-N 2 2 335.496 2.319 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)C1CC([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001486473379 1193987447 /nfs/dbraw/zinc/98/74/47/1193987447.db2.gz NXIYNMMUDOULOO-NFOMZHRRSA-N 2 2 340.418 2.288 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@H]1CC1(Cl)Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001273090773 1194378333 /nfs/dbraw/zinc/37/83/33/1194378333.db2.gz OYHSBCCCRLFYQP-QWRGUYRKSA-N 2 2 333.263 2.021 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)no1 ZINC001410029226 1197471757 /nfs/dbraw/zinc/47/17/57/1197471757.db2.gz HMCLMAGKIZEAFD-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cc(C[N@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)no1 ZINC001410029226 1197471759 /nfs/dbraw/zinc/47/17/59/1197471759.db2.gz HMCLMAGKIZEAFD-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP CC(C)c1cccc(C[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001273212955 1197559711 /nfs/dbraw/zinc/55/97/11/1197559711.db2.gz WGZXEGZHQPVHEU-OAHLLOKOSA-N 2 2 329.448 2.086 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CCCn3cc[nH+]c3)C2)o1 ZINC001410235145 1197621997 /nfs/dbraw/zinc/62/19/97/1197621997.db2.gz YPSSBYIUWDDKGZ-JYJNAYRXSA-N 2 2 345.447 2.205 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n(CC2CCC2)n1 ZINC000865462304 1198230617 /nfs/dbraw/zinc/23/06/17/1198230617.db2.gz JJSSJMBWEBJTBZ-LJQANCHMSA-N 2 2 332.492 2.416 10 0 EEAELP CC(C)Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncn1 ZINC000865642462 1198312297 /nfs/dbraw/zinc/31/22/97/1198312297.db2.gz XCUFYSTULJBFOP-DFNIBXOVSA-N 2 2 343.519 2.422 10 0 EEAELP CC(C)Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncn1 ZINC000865642462 1198312303 /nfs/dbraw/zinc/31/23/03/1198312303.db2.gz XCUFYSTULJBFOP-DFNIBXOVSA-N 2 2 343.519 2.422 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C[NH2+]CC(C)C)[C@H](C(F)(F)F)C1 ZINC001411032033 1198712251 /nfs/dbraw/zinc/71/22/51/1198712251.db2.gz YNXJOZGTNOTLDB-QWHCGFSZSA-N 2 2 346.397 2.143 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c(C)n1 ZINC001411219821 1198929712 /nfs/dbraw/zinc/92/97/12/1198929712.db2.gz XDGBMWJGEMOTLC-KRWDZBQOSA-N 2 2 343.475 2.216 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000867998874 1201723291 /nfs/dbraw/zinc/72/32/91/1201723291.db2.gz KIMMTRYIKUHLOF-ROUUACIJSA-N 2 2 327.403 2.171 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000867998874 1201723294 /nfs/dbraw/zinc/72/32/94/1201723294.db2.gz KIMMTRYIKUHLOF-ROUUACIJSA-N 2 2 327.403 2.171 10 0 EEAELP O=C(NC1CC(C[NH2+]CCOC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001275250573 1205290882 /nfs/dbraw/zinc/29/08/82/1205290882.db2.gz LJMVXJBIGISNEG-UHFFFAOYSA-N 2 2 342.443 2.230 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@H]2CC[N@@H+]2C)C[C@@H](C)O1 ZINC000925396696 1206106648 /nfs/dbraw/zinc/10/66/48/1206106648.db2.gz BRTJEDSFNAVNRQ-BFYDXBDKSA-N 2 2 346.475 2.121 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@H]2CC[N@H+]2C)C[C@@H](C)O1 ZINC000925396696 1206106650 /nfs/dbraw/zinc/10/66/50/1206106650.db2.gz BRTJEDSFNAVNRQ-BFYDXBDKSA-N 2 2 346.475 2.121 10 0 EEAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000926125646 1206195374 /nfs/dbraw/zinc/19/53/74/1206195374.db2.gz MSJCYSOENMHJRP-KSSFIOAISA-N 2 2 343.475 2.024 10 0 EEAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000926125646 1206195376 /nfs/dbraw/zinc/19/53/76/1206195376.db2.gz MSJCYSOENMHJRP-KSSFIOAISA-N 2 2 343.475 2.024 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)[C@H]3CCOC3=O)cc2)C[C@H](C)O1 ZINC000930858794 1206588201 /nfs/dbraw/zinc/58/82/01/1206588201.db2.gz OMQZZMUWJLPWRI-DAYGRLMNSA-N 2 2 332.444 2.043 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccc(C[NH+](C)[C@H]3CCOC3=O)cc2)C[C@H](C)O1 ZINC000930858794 1206588202 /nfs/dbraw/zinc/58/82/02/1206588202.db2.gz OMQZZMUWJLPWRI-DAYGRLMNSA-N 2 2 332.444 2.043 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccc(C[N@H+](C)[C@H]3CCOC3=O)cc2)C[C@H](C)O1 ZINC000930858794 1206588204 /nfs/dbraw/zinc/58/82/04/1206588204.db2.gz OMQZZMUWJLPWRI-DAYGRLMNSA-N 2 2 332.444 2.043 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccc(C[N@@H+](C)[C@H]3CCOC3=O)cc2)C[C@H](C)O1 ZINC000930858794 1206588205 /nfs/dbraw/zinc/58/82/05/1206588205.db2.gz OMQZZMUWJLPWRI-DAYGRLMNSA-N 2 2 332.444 2.043 10 0 EEAELP CC(=O)NCCC[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931214609 1206616625 /nfs/dbraw/zinc/61/66/25/1206616625.db2.gz OOSNWUKSGUYLQI-PMACEKPBSA-N 2 2 329.488 2.357 10 0 EEAELP Cc1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)cn2cc[nH+]c12 ZINC000931553363 1207411566 /nfs/dbraw/zinc/41/15/66/1207411566.db2.gz CLPQYDQYRJKNPR-HUUCEWRRSA-N 2 2 345.472 2.344 10 0 EEAELP Cc1cc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)cn2cc[nH+]c12 ZINC000931553363 1207411569 /nfs/dbraw/zinc/41/15/69/1207411569.db2.gz CLPQYDQYRJKNPR-HUUCEWRRSA-N 2 2 345.472 2.344 10 0 EEAELP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(Br)n1 ZINC000720624385 1217186154 /nfs/dbraw/zinc/18/61/54/1217186154.db2.gz JCDAUHODNDORPU-YNEHKIRRSA-N 2 2 327.270 2.193 10 0 EEAELP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)[nH+]c2)C1 ZINC000902921494 1239098366 /nfs/dbraw/zinc/09/83/66/1239098366.db2.gz WCSSSXNBGQYNGX-ASZLNGMRSA-N 2 2 342.487 2.447 10 0 EEAELP C[NH2+]CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C(C)C ZINC000903570539 1240981470 /nfs/dbraw/zinc/98/14/70/1240981470.db2.gz OUFWJGOJHOZZPK-UHFFFAOYSA-N 2 2 346.475 2.072 10 0 EEAELP C[NH2+]CC[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C(C)C ZINC000903570539 1240981475 /nfs/dbraw/zinc/98/14/75/1240981475.db2.gz OUFWJGOJHOZZPK-UHFFFAOYSA-N 2 2 346.475 2.072 10 0 EEAELP C[NH+](C)CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C1 ZINC001413537979 1241238750 /nfs/dbraw/zinc/23/87/50/1241238750.db2.gz JGHMKQQTICDBCC-GOSISDBHSA-N 2 2 340.471 2.274 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491225946 1258810304 /nfs/dbraw/zinc/81/03/04/1258810304.db2.gz RLVUGJPZMZFTGE-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491225946 1258810310 /nfs/dbraw/zinc/81/03/10/1258810310.db2.gz RLVUGJPZMZFTGE-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP Cc1nocc1C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491226325 1258811410 /nfs/dbraw/zinc/81/14/10/1258811410.db2.gz OUOMIRCDKRBMHL-WMLDXEAASA-N 2 2 345.447 2.302 10 0 EEAELP Cc1nocc1C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491226325 1258811418 /nfs/dbraw/zinc/81/14/18/1258811418.db2.gz OUOMIRCDKRBMHL-WMLDXEAASA-N 2 2 345.447 2.302 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001491253110 1258847724 /nfs/dbraw/zinc/84/77/24/1258847724.db2.gz JOYWXVQMSFPTKR-WMZOPIPTSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C/Cl)CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001491355617 1258989007 /nfs/dbraw/zinc/98/90/07/1258989007.db2.gz HANYVJMHKZGZON-HZMRZDCSSA-N 2 2 336.867 2.215 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C\Cl)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001491356392 1258989619 /nfs/dbraw/zinc/98/96/19/1258989619.db2.gz NAFDVDZLHXJIRJ-CCIADCFLSA-N 2 2 336.867 2.215 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)co1 ZINC001490207462 1290999648 /nfs/dbraw/zinc/99/96/48/1290999648.db2.gz FQXAOBLQRLHCGY-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)co1 ZINC001490207462 1290999653 /nfs/dbraw/zinc/99/96/53/1290999653.db2.gz FQXAOBLQRLHCGY-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001490207462 1290999657 /nfs/dbraw/zinc/99/96/57/1290999657.db2.gz FQXAOBLQRLHCGY-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)co1 ZINC001490207462 1290999663 /nfs/dbraw/zinc/99/96/63/1290999663.db2.gz FQXAOBLQRLHCGY-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nccc(C)n3)C2)ccn1 ZINC000856586435 1293572413 /nfs/dbraw/zinc/57/24/13/1293572413.db2.gz QPPFXWZCIOKGSU-SFHVURJKSA-N 2 2 341.459 2.285 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nccc(C)n3)C2)ccn1 ZINC000856586435 1293572421 /nfs/dbraw/zinc/57/24/21/1293572421.db2.gz QPPFXWZCIOKGSU-SFHVURJKSA-N 2 2 341.459 2.285 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nccc(C)n3)C2)ccn1 ZINC000856586435 1293572428 /nfs/dbraw/zinc/57/24/28/1293572428.db2.gz QPPFXWZCIOKGSU-SFHVURJKSA-N 2 2 341.459 2.285 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nccc(C)n3)C2)ccn1 ZINC000856586435 1293572435 /nfs/dbraw/zinc/57/24/35/1293572435.db2.gz QPPFXWZCIOKGSU-SFHVURJKSA-N 2 2 341.459 2.285 10 0 EEAELP CCCOC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592782 1293575851 /nfs/dbraw/zinc/57/58/51/1293575851.db2.gz WZRRZMUSASSFGL-CRAIPNDOSA-N 2 2 349.475 2.328 10 0 EEAELP CCCOC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592782 1293575855 /nfs/dbraw/zinc/57/58/55/1293575855.db2.gz WZRRZMUSASSFGL-CRAIPNDOSA-N 2 2 349.475 2.328 10 0 EEAELP CCCOC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592782 1293575859 /nfs/dbraw/zinc/57/58/59/1293575859.db2.gz WZRRZMUSASSFGL-CRAIPNDOSA-N 2 2 349.475 2.328 10 0 EEAELP CCCOC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592782 1293575863 /nfs/dbraw/zinc/57/58/63/1293575863.db2.gz WZRRZMUSASSFGL-CRAIPNDOSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598481 1293577429 /nfs/dbraw/zinc/57/74/29/1293577429.db2.gz BAOJXPJIYNNRMC-QAPCUYQASA-N 2 2 349.475 2.327 10 0 EEAELP CCOC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856598481 1293577437 /nfs/dbraw/zinc/57/74/37/1293577437.db2.gz BAOJXPJIYNNRMC-QAPCUYQASA-N 2 2 349.475 2.327 10 0 EEAELP CCOC(=O)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856598481 1293577444 /nfs/dbraw/zinc/57/74/44/1293577444.db2.gz BAOJXPJIYNNRMC-QAPCUYQASA-N 2 2 349.475 2.327 10 0 EEAELP CCOC(=O)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856598481 1293577447 /nfs/dbraw/zinc/57/74/47/1293577447.db2.gz BAOJXPJIYNNRMC-QAPCUYQASA-N 2 2 349.475 2.327 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC1CC1 ZINC000858126835 1294014801 /nfs/dbraw/zinc/01/48/01/1294014801.db2.gz LDDRQUNDEJSJIC-DOTOQJQBSA-N 2 2 332.444 2.189 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1OC1CC1 ZINC000858126835 1294014805 /nfs/dbraw/zinc/01/48/05/1294014805.db2.gz LDDRQUNDEJSJIC-DOTOQJQBSA-N 2 2 332.444 2.189 10 0 EEAELP CCO[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)C[NH+](C)C ZINC000926965717 1296971878 /nfs/dbraw/zinc/97/18/78/1296971878.db2.gz SWGHSDTZPHSTCO-PBHICJAKSA-N 2 2 335.448 2.261 10 0 EEAELP C[NH+]1C[C@]2(C)C[NH+]([C@H]3CCN(c4ccc(F)cc4)C3=O)C[C@@]2(C)C1 ZINC000931315905 1297133331 /nfs/dbraw/zinc/13/33/31/1297133331.db2.gz DADCRIAULTUNSS-QXAKKESOSA-N 2 2 331.435 2.205 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@]2(C1)CCC[N@@H+](CCCCCF)C2 ZINC001277473720 1303560351 /nfs/dbraw/zinc/56/03/51/1303560351.db2.gz IOXHNXQURBMZFY-GOSISDBHSA-N 2 2 336.455 2.407 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@]2(C1)CCC[N@H+](CCCCCF)C2 ZINC001277473720 1303560353 /nfs/dbraw/zinc/56/03/53/1303560353.db2.gz IOXHNXQURBMZFY-GOSISDBHSA-N 2 2 336.455 2.407 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(F)(F)C(F)F)C[C@H]1C ZINC001277777982 1304395093 /nfs/dbraw/zinc/39/50/93/1304395093.db2.gz YOCXITYEJGFIEX-VXGBXAGGSA-N 2 2 341.393 2.198 10 0 EEAELP CCOCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001278460328 1310372731 /nfs/dbraw/zinc/37/27/31/1310372731.db2.gz QROXZMSUESNLGZ-ZIFCJYIRSA-N 2 2 348.491 2.374 10 0 EEAELP CCOCCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)n3cc[nH+]c3)CCC[C@H]12 ZINC001278460328 1310372740 /nfs/dbraw/zinc/37/27/40/1310372740.db2.gz QROXZMSUESNLGZ-ZIFCJYIRSA-N 2 2 348.491 2.374 10 0 EEAELP CC[NH2+]CC(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843493960 1315923717 /nfs/dbraw/zinc/92/37/17/1315923717.db2.gz WJYNQSSPQKHVPF-HOCLYGCPSA-N 2 2 327.831 2.340 10 0 EEAELP CC[NH2+]CC(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843493960 1315923719 /nfs/dbraw/zinc/92/37/19/1315923719.db2.gz WJYNQSSPQKHVPF-HOCLYGCPSA-N 2 2 327.831 2.340 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001278617553 1317378238 /nfs/dbraw/zinc/37/82/38/1317378238.db2.gz BRRHGUKLHCOBFC-NVXWUHKLSA-N 2 2 344.434 2.139 10 0 EEAELP CO[C@@H](C)C[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001265161463 1322958093 /nfs/dbraw/zinc/95/80/93/1322958093.db2.gz ODEQTMLGCBVHQM-HNNXBMFYSA-N 2 2 344.459 2.262 10 0 EEAELP CO[C@@H](C)C[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001265161463 1322958099 /nfs/dbraw/zinc/95/80/99/1322958099.db2.gz ODEQTMLGCBVHQM-HNNXBMFYSA-N 2 2 344.459 2.262 10 0 EEAELP CC(C)(C)CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265436856 1323154401 /nfs/dbraw/zinc/15/44/01/1323154401.db2.gz PVYIRTFIMUNKIQ-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001265873668 1323446138 /nfs/dbraw/zinc/44/61/38/1323446138.db2.gz YVDFOJJKOMDOJI-OAHLLOKOSA-N 2 2 339.443 2.439 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]([N@H+](C)CCCCCF)C1 ZINC001266117574 1323687944 /nfs/dbraw/zinc/68/79/44/1323687944.db2.gz VVDLFNQEQIWYRP-KRWDZBQOSA-N 2 2 338.471 2.415 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001266117574 1323687948 /nfs/dbraw/zinc/68/79/48/1323687948.db2.gz VVDLFNQEQIWYRP-KRWDZBQOSA-N 2 2 338.471 2.415 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1C[C@H]1CCCOC1 ZINC001266228062 1323804060 /nfs/dbraw/zinc/80/40/60/1323804060.db2.gz DIGRXTZUIKAEHT-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC001266228062 1323804066 /nfs/dbraw/zinc/80/40/66/1323804066.db2.gz DIGRXTZUIKAEHT-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H](CC[NH2+]C/C=C\Cl)C1 ZINC001280093913 1324083002 /nfs/dbraw/zinc/08/30/02/1324083002.db2.gz FGWPTILXSGZQQE-OLVMAOTFSA-N 2 2 337.851 2.213 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCOC1 ZINC001280459876 1324237110 /nfs/dbraw/zinc/23/71/10/1324237110.db2.gz NMZUKRBFYCGPEP-IAGOWNOFSA-N 2 2 348.491 2.048 10 0 EEAELP CC(C)OCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001283998048 1326355691 /nfs/dbraw/zinc/35/56/91/1326355691.db2.gz UYGCANMOOCDIGI-HIFRSBDPSA-N 2 2 330.432 2.181 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001284019148 1326365416 /nfs/dbraw/zinc/36/54/16/1326365416.db2.gz XFXLOTCHAGYOBG-WMZOPIPTSA-N 2 2 340.471 2.472 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@@H]1[N@H+](CCOCC(C)C)CC2 ZINC001284073233 1326394422 /nfs/dbraw/zinc/39/44/22/1326394422.db2.gz ZUIOVVUINTXUSK-HKUYNNGSSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCOCC(C)C)CC2 ZINC001284073233 1326394425 /nfs/dbraw/zinc/39/44/25/1326394425.db2.gz ZUIOVVUINTXUSK-HKUYNNGSSA-N 2 2 348.491 2.046 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@H]21 ZINC001284094931 1326404000 /nfs/dbraw/zinc/40/40/00/1326404000.db2.gz CEPUDIJAXSZQOF-RCCFBDPRSA-N 2 2 330.476 2.456 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001491835117 1330268756 /nfs/dbraw/zinc/26/87/56/1330268756.db2.gz UNQVCDACYUGZDE-BZUAXINKSA-N 2 2 336.455 2.102 10 0 EEAELP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001492047732 1330421353 /nfs/dbraw/zinc/42/13/53/1330421353.db2.gz ZYRDSNZIDNADAI-FUHWJXTLSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)nc2)C1)n1cc[nH+]c1 ZINC001317086482 1332073978 /nfs/dbraw/zinc/07/39/78/1332073978.db2.gz CMDLMZRGOHVGGB-BPLDGKMQSA-N 2 2 347.850 2.320 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317151910 1332101418 /nfs/dbraw/zinc/10/14/18/1332101418.db2.gz LNTJUMMQBHCNBZ-IAGOWNOFSA-N 2 2 330.476 2.240 10 0 EEAELP CCN(CC[NH2+]Cc1sc(C)nc1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320758126 1332947114 /nfs/dbraw/zinc/94/71/14/1332947114.db2.gz CAOBXCXIEAWBQW-ZIAGYGMSSA-N 2 2 347.488 2.225 10 0 EEAELP Cc1noc(C)c1C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321120050 1333023652 /nfs/dbraw/zinc/02/36/52/1333023652.db2.gz DLTHLWFPGZYYGP-ARJAWSKDSA-N 2 2 339.399 2.244 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001321176962 1333038046 /nfs/dbraw/zinc/03/80/46/1333038046.db2.gz WHMZLIOQQRZXIF-BQYQJAHWSA-N 2 2 348.491 2.257 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001322793676 1333327770 /nfs/dbraw/zinc/32/77/70/1333327770.db2.gz USUSUIJTLFQUJE-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP CCOCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001323644764 1333508025 /nfs/dbraw/zinc/50/80/25/1333508025.db2.gz WXPJLSQEBITSAM-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP CCOCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001323644764 1333508028 /nfs/dbraw/zinc/50/80/28/1333508028.db2.gz WXPJLSQEBITSAM-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP CCOCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001323644764 1333508030 /nfs/dbraw/zinc/50/80/30/1333508030.db2.gz WXPJLSQEBITSAM-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP CCOCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001323644764 1333508034 /nfs/dbraw/zinc/50/80/34/1333508034.db2.gz WXPJLSQEBITSAM-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCC[NH+]1CCC2(CO[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001324353911 1333663998 /nfs/dbraw/zinc/66/39/98/1333663998.db2.gz YJBAJJUEIUJKMV-KRWDZBQOSA-N 2 2 348.491 2.130 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001326304763 1334064345 /nfs/dbraw/zinc/06/43/45/1334064345.db2.gz QQLDJSJGWQUAEB-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001326307014 1334064941 /nfs/dbraw/zinc/06/49/41/1334064941.db2.gz YIUZOCWXUYEUBY-ROXWUAQJSA-N 2 2 336.867 2.026 10 0 EEAELP COCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001326524515 1334109871 /nfs/dbraw/zinc/10/98/71/1334109871.db2.gz BQVCYEUUQYRWLU-CTYIDZIISA-N 2 2 330.432 2.088 10 0 EEAELP CC(C)(C)CCC[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001327670489 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1336046625 /nfs/dbraw/zinc/04/66/25/1336046625.db2.gz SPJAGSUHVITJKT-INIZCTEOSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C[C@@H]3CC[NH+](C)C3)CC2)cs1 ZINC001333433562 1336046628 /nfs/dbraw/zinc/04/66/28/1336046628.db2.gz SPJAGSUHVITJKT-INIZCTEOSA-N 2 2 348.516 2.042 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3nccn3C(C)C)CC2)CC1 ZINC001434104069 1341765582 /nfs/dbraw/zinc/76/55/82/1341765582.db2.gz XENXERQNTVVVAT-UHFFFAOYSA-N 2 2 347.507 2.096 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3nccn3C(C)C)CC2)CC1 ZINC001434104069 1341765583 /nfs/dbraw/zinc/76/55/83/1341765583.db2.gz XENXERQNTVVVAT-UHFFFAOYSA-N 2 2 347.507 2.096 10 0 EEAELP C[C@@H](c1ncccn1)[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567201843 1342710737 /nfs/dbraw/zinc/71/07/37/1342710737.db2.gz JEIONXVGKSECSZ-DLBZAZTESA-N 2 2 347.507 2.192 10 0 EEAELP C[C@@H](c1ncccn1)[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567201843 1342710738 /nfs/dbraw/zinc/71/07/38/1342710738.db2.gz JEIONXVGKSECSZ-DLBZAZTESA-N 2 2 347.507 2.192 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001567519905 1342776964 /nfs/dbraw/zinc/77/69/64/1342776964.db2.gz DSCLCADMQAJXHR-GNJLHFKMSA-N 2 2 338.455 2.207 10 0 EEAELP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001567702580 1342816402 /nfs/dbraw/zinc/81/64/02/1342816402.db2.gz GDYMKUJKLQVPAV-DLBZAZTESA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001567702580 1342816407 /nfs/dbraw/zinc/81/64/07/1342816407.db2.gz GDYMKUJKLQVPAV-DLBZAZTESA-N 2 2 330.476 2.240 10 0 EEAELP O=C(NCC1([NH2+]CCOCC2CC2)CCC1)c1cccc2[nH+]ccn21 ZINC001570110352 1343013029 /nfs/dbraw/zinc/01/30/29/1343013029.db2.gz PYRQLPXAVJJVPP-UHFFFAOYSA-N 2 2 342.443 2.003 10 0 EEAELP CC(C)=CC[N@H+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001570712303 1343105547 /nfs/dbraw/zinc/10/55/47/1343105547.db2.gz IFZUAVQYFHTOEK-PBHICJAKSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001570712303 1343105530 /nfs/dbraw/zinc/10/55/30/1343105530.db2.gz IFZUAVQYFHTOEK-PBHICJAKSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001570712303 1343105534 /nfs/dbraw/zinc/10/55/34/1343105534.db2.gz IFZUAVQYFHTOEK-PBHICJAKSA-N 2 2 333.480 2.193 10 0 EEAELP CC(C)=CC[N@@H+](C)[C@H](C)CNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001570712303 1343105539 /nfs/dbraw/zinc/10/55/39/1343105539.db2.gz IFZUAVQYFHTOEK-PBHICJAKSA-N 2 2 333.480 2.193 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H]3C[C@H](C[NH2+]CCC4CC4)C3)[nH+]c12 ZINC001571173836 1343166066 /nfs/dbraw/zinc/16/60/66/1343166066.db2.gz WSZHXSOVHWFTBI-QAQDUYKDSA-N 2 2 340.471 2.470 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC001676819618 1357212089 /nfs/dbraw/zinc/21/20/89/1357212089.db2.gz AFXXEQZQFWHMJU-HWUNFHLVSA-N 2 2 330.476 2.432 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@]2(NC(=O)Cc3c[nH+]cn3C)CCC[C@H]12 ZINC001676819618 1357212095 /nfs/dbraw/zinc/21/20/95/1357212095.db2.gz AFXXEQZQFWHMJU-HWUNFHLVSA-N 2 2 330.476 2.432 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@H+](Cc2cccc(Cl)c2)CC1 ZINC001677636166 1357379100 /nfs/dbraw/zinc/37/91/00/1357379100.db2.gz FVEYGRKPFTVOJH-UHFFFAOYSA-N 2 2 344.846 2.485 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@@H+](Cc2cccc(Cl)c2)CC1 ZINC001677636166 1357379105 /nfs/dbraw/zinc/37/91/05/1357379105.db2.gz FVEYGRKPFTVOJH-UHFFFAOYSA-N 2 2 344.846 2.485 10 0 EEAELP CNc1cc(CNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc[nH+]1 ZINC001649295259 1353464139 /nfs/dbraw/zinc/46/41/39/1353464139.db2.gz LZJQQXDGGSGXSB-QGZVFWFLSA-N 2 2 339.443 2.197 10 0 EEAELP CNc1cc(CNC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC001649295259 1353464141 /nfs/dbraw/zinc/46/41/41/1353464141.db2.gz LZJQQXDGGSGXSB-QGZVFWFLSA-N 2 2 339.443 2.197 10 0 EEAELP C[NH+](C)CC[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccnc1 ZINC001650015419 1353689138 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2.219 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)Cc1csc(Cl)n1 ZINC001660194376 1354413616 /nfs/dbraw/zinc/41/36/16/1354413616.db2.gz FOGKAUCMDHAFIK-CYBMUJFWSA-N 2 2 344.912 2.219 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cc(F)cc(F)c1 ZINC001660606058 1354499627 /nfs/dbraw/zinc/49/96/27/1354499627.db2.gz XPRZRSPQYDFHQB-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1cc(F)cc(F)c1 ZINC001660606058 1354499630 /nfs/dbraw/zinc/49/96/30/1354499630.db2.gz XPRZRSPQYDFHQB-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001661614523 1354664808 /nfs/dbraw/zinc/66/48/08/1354664808.db2.gz KFQNVYAKQZANHP-BMFZPTHFSA-N 2 2 342.443 2.230 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCCc2c(F)cccc2F)C1 ZINC001661694217 1354673389 /nfs/dbraw/zinc/67/33/89/1354673389.db2.gz HLMIVQHQRDCWES-OKILXGFUSA-N 2 2 348.397 2.031 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)CCc1c[nH+]cn1C ZINC001664341243 1355141751 /nfs/dbraw/zinc/14/17/51/1355141751.db2.gz HRURGSHEMKUPEZ-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP COc1ccc(C[NH+]2CC(NC(=O)CCCC[NH+](C)C)C2)cc1C ZINC001665220512 1355281190 /nfs/dbraw/zinc/28/11/90/1355281190.db2.gz SWWGKMISJAWHAZ-UHFFFAOYSA-N 2 2 333.476 2.036 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C/Cl)CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001665933698 1355411736 /nfs/dbraw/zinc/41/17/36/1355411736.db2.gz JPONQCMYIOVBGO-SMDADKPZSA-N 2 2 336.867 2.217 10 0 EEAELP Cc1cnc(C[NH2+]CCC2CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)s1 ZINC001666249193 1355494301 /nfs/dbraw/zinc/49/43/01/1355494301.db2.gz HRPPTTWTPIDBNO-UHFFFAOYSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1cc(C)cc(OCC[NH2+]C[C@@H](C)N(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001667063717 1355642445 /nfs/dbraw/zinc/64/24/45/1355642445.db2.gz OLEIXMCBJRTFFV-QGZVFWFLSA-N 2 2 344.459 2.015 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC001668086673 1355866146 /nfs/dbraw/zinc/86/61/46/1355866146.db2.gz GZWSGTXBVNLORU-LLVKDONJSA-N 2 2 335.477 2.100 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC001668086673 1355866154 /nfs/dbraw/zinc/86/61/54/1355866154.db2.gz GZWSGTXBVNLORU-LLVKDONJSA-N 2 2 335.477 2.100 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001669063193 1356079987 /nfs/dbraw/zinc/07/99/87/1356079987.db2.gz GMOICHWCFCKGKU-YIEVGGLXSA-N 2 2 341.459 2.308 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1 ZINC001669161869 1356111940 /nfs/dbraw/zinc/11/19/40/1356111940.db2.gz KFQQHVPGSUSNCU-IHWYPQMZSA-N 2 2 330.476 2.493 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1cc(F)cc(F)c1 ZINC001669163163 1356113560 /nfs/dbraw/zinc/11/35/60/1356113560.db2.gz WXVSGHDFSKISTM-NSCUHMNNSA-N 2 2 334.370 2.001 10 0 EEAELP C[C@H](C[NH2+]CCOCC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001669328431 1356145626 /nfs/dbraw/zinc/14/56/26/1356145626.db2.gz CPPYUYAVCCWWOQ-CYBMUJFWSA-N 2 2 330.432 2.088 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+][C@H](C)c1nc2ccccc2o1 ZINC001669353481 1356149072 /nfs/dbraw/zinc/14/90/72/1356149072.db2.gz SMKRYXCQWUHFHE-TZMCWYRMSA-N 2 2 341.415 2.188 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001669457988 1356162431 /nfs/dbraw/zinc/16/24/31/1356162431.db2.gz LEJAKASJWAMEKB-GFCCVEGCSA-N 2 2 325.416 2.036 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1)c1ccc(F)cc1F ZINC001670261361 1356307086 /nfs/dbraw/zinc/30/70/86/1356307086.db2.gz LBSPCBPSIIURAB-GFCCVEGCSA-N 2 2 336.386 2.430 10 0 EEAELP CC(C)=CC[NH2+]C1CC[NH+](CCNC(=O)/C=C/c2ccc[nH]2)CC1 ZINC001672456304 1356525975 /nfs/dbraw/zinc/52/59/75/1356525975.db2.gz YUWYHGOVCVQQGL-AATRIKPKSA-N 2 2 330.476 2.164 10 0 EEAELP CCOCC[NH2+]CC(C)(C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001674839663 1356901976 /nfs/dbraw/zinc/90/19/76/1356901976.db2.gz LZFDQNMYKBPMRA-UHFFFAOYSA-N 2 2 332.448 2.287 10 0 EEAELP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001675745508 1357045789 /nfs/dbraw/zinc/04/57/89/1357045789.db2.gz IPEKDEFIPDTBMA-IIDMSEBBSA-N 2 2 347.507 2.465 10 0 EEAELP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001675745508 1357045792 /nfs/dbraw/zinc/04/57/92/1357045792.db2.gz IPEKDEFIPDTBMA-IIDMSEBBSA-N 2 2 347.507 2.465 10 0 EEAELP C[C@@H](O)CCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001698798668 1405073467 /nfs/dbraw/zinc/07/34/67/1405073467.db2.gz ZKXSAHKCAQTKPL-CQSZACIVSA-N 2 2 344.459 2.356 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001698891196 1405133888 /nfs/dbraw/zinc/13/38/88/1405133888.db2.gz LPELEVGYURLUOS-HOTGVXAUSA-N 2 2 344.459 2.200 10 0 EEAELP CCOCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001699440225 1405356327 /nfs/dbraw/zinc/35/63/27/1405356327.db2.gz BMOKXAYXLXNDEE-CQSZACIVSA-N 2 2 332.448 2.119 10 0 EEAELP CCOCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001699440225 1405356333 /nfs/dbraw/zinc/35/63/33/1405356333.db2.gz BMOKXAYXLXNDEE-CQSZACIVSA-N 2 2 332.448 2.119 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCc1ccc(Cl)cc1 ZINC001699760411 1405470371 /nfs/dbraw/zinc/47/03/71/1405470371.db2.gz KQNSNJRXZZIIPX-KRWDZBQOSA-N 2 2 346.862 2.429 10 0 EEAELP Brc1ccsc1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000925763327 770935086 /nfs/dbraw/zinc/93/50/86/770935086.db2.gz SCWVFBGBSIEDAW-JSGCOSHPSA-N 2 2 345.306 2.410 10 0 EEAELP C/C(=C\C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C[NH+]1CCOCC1 ZINC000907288350 784518471 /nfs/dbraw/zinc/51/84/71/784518471.db2.gz ZKQWKRNGTHGKPL-PGSVNHOBSA-N 2 2 349.519 2.034 10 0 EEAELP C/C(=C\C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C[NH+]1CCOCC1 ZINC000907288350 784518475 /nfs/dbraw/zinc/51/84/75/784518475.db2.gz ZKQWKRNGTHGKPL-PGSVNHOBSA-N 2 2 349.519 2.034 10 0 EEAELP CC(C)OC[C@@H](O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000819108286 785429228 /nfs/dbraw/zinc/42/92/28/785429228.db2.gz BLEONQGMSYBVTR-IBGZPJMESA-N 2 2 335.492 2.097 10 0 EEAELP Cc1cnccc1/C=C/C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266961 787645243 /nfs/dbraw/zinc/64/52/43/787645243.db2.gz KVBUKHYXQCUNER-PXPVJAHISA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cnccc1/C=C/C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266961 787645249 /nfs/dbraw/zinc/64/52/49/787645249.db2.gz KVBUKHYXQCUNER-PXPVJAHISA-N 2 2 342.487 2.030 10 0 EEAELP C[NH2+]C1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000923287492 789315544 /nfs/dbraw/zinc/31/55/44/789315544.db2.gz PDFOBEAYQDJMDA-CYBMUJFWSA-N 2 2 332.366 2.129 10 0 EEAELP O=c1[nH]c2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2o1 ZINC000921737758 795656372 /nfs/dbraw/zinc/65/63/72/795656372.db2.gz JRQFZBQNFXQYDB-OAHLLOKOSA-N 2 2 331.416 2.266 10 0 EEAELP O[C@@]1(C[NH2+]Cc2ccnn2C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000921772118 795863828 /nfs/dbraw/zinc/86/38/28/795863828.db2.gz LCANYWTZRYGKPE-HXUWFJFHSA-N 2 2 340.471 2.335 10 0 EEAELP O[C@@]1(C[NH2+]Cc2ccnn2C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000921772118 795863837 /nfs/dbraw/zinc/86/38/37/795863837.db2.gz LCANYWTZRYGKPE-HXUWFJFHSA-N 2 2 340.471 2.335 10 0 EEAELP C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000716619147 796394444 /nfs/dbraw/zinc/39/44/44/796394444.db2.gz BTFPNUXZGKWZPR-SPUZQDLCSA-N 2 2 336.501 2.062 10 0 EEAELP C[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)S(C)(=O)=O ZINC000716619147 796394446 /nfs/dbraw/zinc/39/44/46/796394446.db2.gz BTFPNUXZGKWZPR-SPUZQDLCSA-N 2 2 336.501 2.062 10 0 EEAELP O=S1(=O)CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716704085 796444050 /nfs/dbraw/zinc/44/40/50/796444050.db2.gz FWANSHINJLCCIU-MANSERQUSA-N 2 2 348.512 2.206 10 0 EEAELP O=S1(=O)CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000716704085 796444054 /nfs/dbraw/zinc/44/40/54/796444054.db2.gz FWANSHINJLCCIU-MANSERQUSA-N 2 2 348.512 2.206 10 0 EEAELP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001566467945 1125627275 /nfs/dbraw/zinc/62/72/75/1125627275.db2.gz LUSVUDZITUHANA-QGZVFWFLSA-N 2 2 340.471 2.392 10 0 EEAELP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001566467945 1125627277 /nfs/dbraw/zinc/62/72/77/1125627277.db2.gz LUSVUDZITUHANA-QGZVFWFLSA-N 2 2 340.471 2.392 10 0 EEAELP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2coc(C)n2)C1 ZINC001566484400 1125646954 /nfs/dbraw/zinc/64/69/54/1125646954.db2.gz JRBCDJSLIZXKAU-INIZCTEOSA-N 2 2 336.480 2.043 10 0 EEAELP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2coc(C)n2)C1 ZINC001566484400 1125646957 /nfs/dbraw/zinc/64/69/57/1125646957.db2.gz JRBCDJSLIZXKAU-INIZCTEOSA-N 2 2 336.480 2.043 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@H+](C)Cc2coc(C)n2)C1 ZINC001566484400 1125646959 /nfs/dbraw/zinc/64/69/59/1125646959.db2.gz JRBCDJSLIZXKAU-INIZCTEOSA-N 2 2 336.480 2.043 10 0 EEAELP CCC[NH+]1CCC[C@H](C(=O)NCCC[N@@H+](C)Cc2coc(C)n2)C1 ZINC001566484400 1125646962 /nfs/dbraw/zinc/64/69/62/1125646962.db2.gz JRBCDJSLIZXKAU-INIZCTEOSA-N 2 2 336.480 2.043 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1nccs1 ZINC001566498844 1125665961 /nfs/dbraw/zinc/66/59/61/1125665961.db2.gz QPGPAEBLDASFTP-LSDHHAIUSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1nccs1 ZINC001566498844 1125665964 /nfs/dbraw/zinc/66/59/64/1125665964.db2.gz QPGPAEBLDASFTP-LSDHHAIUSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)Cc1nccs1 ZINC001566498844 1125665966 /nfs/dbraw/zinc/66/59/66/1125665966.db2.gz QPGPAEBLDASFTP-LSDHHAIUSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)Cc1nccs1 ZINC001566498844 1125665968 /nfs/dbraw/zinc/66/59/68/1125665968.db2.gz QPGPAEBLDASFTP-LSDHHAIUSA-N 2 2 336.505 2.098 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@H](CNC(=O)Cc2c[nH]c[nH+]2)C2CC2)c1 ZINC001436813663 1088403647 /nfs/dbraw/zinc/40/36/47/1088403647.db2.gz OXQZZLXFQALJPQ-SCLBCKFNSA-N 2 2 342.443 2.206 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001437358357 1089586892 /nfs/dbraw/zinc/58/68/92/1089586892.db2.gz PSLFJLXPYGAUPT-KRWDZBQOSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001437358357 1089586905 /nfs/dbraw/zinc/58/69/05/1089586905.db2.gz PSLFJLXPYGAUPT-KRWDZBQOSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001437358357 1089586922 /nfs/dbraw/zinc/58/69/22/1089586922.db2.gz PSLFJLXPYGAUPT-KRWDZBQOSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001437358357 1089586942 /nfs/dbraw/zinc/58/69/42/1089586942.db2.gz PSLFJLXPYGAUPT-KRWDZBQOSA-N 2 2 348.491 2.315 10 0 EEAELP C[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCc1cccs1 ZINC001437466330 1089795448 /nfs/dbraw/zinc/79/54/48/1089795448.db2.gz NURLLZCREXQNFM-UHFFFAOYSA-N 2 2 346.500 2.114 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CCc1cccs1 ZINC001437466330 1089795458 /nfs/dbraw/zinc/79/54/58/1089795458.db2.gz NURLLZCREXQNFM-UHFFFAOYSA-N 2 2 346.500 2.114 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CC=C(Cl)Cl)C1 ZINC001437683828 1090223226 /nfs/dbraw/zinc/22/32/26/1090223226.db2.gz DXMQLAFAHBHZLD-OLZOCXBDSA-N 2 2 334.291 2.228 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+]2CC=C(Cl)Cl)C1 ZINC001437683828 1090223236 /nfs/dbraw/zinc/22/32/36/1090223236.db2.gz DXMQLAFAHBHZLD-OLZOCXBDSA-N 2 2 334.291 2.228 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@@H+]2CC=C(Cl)Cl)C1 ZINC001437683828 1090223244 /nfs/dbraw/zinc/22/32/44/1090223244.db2.gz DXMQLAFAHBHZLD-OLZOCXBDSA-N 2 2 334.291 2.228 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CCC[N@H+]2CC=C(Cl)Cl)C1 ZINC001437683828 1090223254 /nfs/dbraw/zinc/22/32/54/1090223254.db2.gz DXMQLAFAHBHZLD-OLZOCXBDSA-N 2 2 334.291 2.228 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001437823893 1090415710 /nfs/dbraw/zinc/41/57/10/1090415710.db2.gz RYIBUZVPQNFOBP-AWEZNQCLSA-N 2 2 330.407 2.364 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001437823893 1090415714 /nfs/dbraw/zinc/41/57/14/1090415714.db2.gz RYIBUZVPQNFOBP-AWEZNQCLSA-N 2 2 330.407 2.364 10 0 EEAELP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2nccs2)C1 ZINC001437904437 1090485692 /nfs/dbraw/zinc/48/56/92/1090485692.db2.gz IKBJCMYVAPGDEA-HNNXBMFYSA-N 2 2 348.516 2.052 10 0 EEAELP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001437904437 1090485694 /nfs/dbraw/zinc/48/56/94/1090485694.db2.gz IKBJCMYVAPGDEA-HNNXBMFYSA-N 2 2 348.516 2.052 10 0 EEAELP CCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001438271653 1090755661 /nfs/dbraw/zinc/75/56/61/1090755661.db2.gz FNIQKPHDPCNVHO-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP CCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001438271653 1090755665 /nfs/dbraw/zinc/75/56/65/1090755665.db2.gz FNIQKPHDPCNVHO-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP CC[C@@H](CNC(=O)Cc1c[nH+]ccc1OC)[NH2+]CCC(F)(F)F ZINC001438315435 1090793187 /nfs/dbraw/zinc/79/31/87/1090793187.db2.gz AABCDAKDMPOGNJ-LBPRGKRZSA-N 2 2 333.354 2.070 10 0 EEAELP 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347.463 2.260 10 0 EEAELP C[C@]12CN(C(=O)CCCn3cc[nH+]c3)C[C@@]1(C)C[N@H+](CC1CC1)C2 ZINC001506870731 1114941557 /nfs/dbraw/zinc/94/15/57/1114941557.db2.gz WYNBUKKSAJVJOA-KDURUIRLSA-N 2 2 330.476 2.244 10 0 EEAELP C[C@]12CN(C(=O)CCCn3cc[nH+]c3)C[C@@]1(C)C[N@@H+](CC1CC1)C2 ZINC001506870731 1114941560 /nfs/dbraw/zinc/94/15/60/1114941560.db2.gz WYNBUKKSAJVJOA-KDURUIRLSA-N 2 2 330.476 2.244 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001507091945 1115103863 /nfs/dbraw/zinc/10/38/63/1115103863.db2.gz LAIBAGJJTNMPBM-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1cccc(Cl)n1 ZINC001507150429 1115135187 /nfs/dbraw/zinc/13/51/87/1115135187.db2.gz WITUQRDRRARUST-GFCCVEGCSA-N 2 2 349.866 2.372 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCF)CCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001507281937 1115172071 /nfs/dbraw/zinc/17/20/71/1115172071.db2.gz AMHKQXYMBHZJMU-WMLDXEAASA-N 2 2 330.407 2.425 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCOCC2CC2)CCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507281495 1115172233 /nfs/dbraw/zinc/17/22/33/1115172233.db2.gz HXQCDLHRUMTCFK-CJNGLKHVSA-N 2 2 342.443 2.182 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCN(C(=O)Cn2cc[nH+]c2C)C(C)C)s1 ZINC001507862790 1115361755 /nfs/dbraw/zinc/36/17/55/1115361755.db2.gz JVLLPVQJMQZHKE-UHFFFAOYSA-N 2 2 349.504 2.325 10 0 EEAELP Cc1ncc(C[N@H+](C)CCN(C(=O)Cn2cc[nH+]c2C)C(C)C)s1 ZINC001507862790 1115361758 /nfs/dbraw/zinc/36/17/58/1115361758.db2.gz JVLLPVQJMQZHKE-UHFFFAOYSA-N 2 2 349.504 2.325 10 0 EEAELP Cc1nc(C[NH2+]C2CC(N(C)C(=O)CCCn3cc[nH+]c3)C2)c(C)o1 ZINC001508156917 1115430177 /nfs/dbraw/zinc/43/01/77/1115430177.db2.gz JKYVFGIFYINMLX-UHFFFAOYSA-N 2 2 345.447 2.047 10 0 EEAELP CC[C@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001540488969 1124084752 /nfs/dbraw/zinc/08/47/52/1124084752.db2.gz JUGUCJWLJYWYDB-KZNAEPCWSA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC001540488969 1124084756 /nfs/dbraw/zinc/08/47/56/1124084756.db2.gz JUGUCJWLJYWYDB-KZNAEPCWSA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC001540488969 1124084760 /nfs/dbraw/zinc/08/47/60/1124084760.db2.gz JUGUCJWLJYWYDB-KZNAEPCWSA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC001540488969 1124084765 /nfs/dbraw/zinc/08/47/65/1124084765.db2.gz JUGUCJWLJYWYDB-KZNAEPCWSA-N 2 2 339.524 2.257 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001567997239 1124222478 /nfs/dbraw/zinc/22/24/78/1124222478.db2.gz WEYWTMPLNISQOG-MRXNPFEDSA-N 2 2 339.524 2.162 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001567997239 1124222486 /nfs/dbraw/zinc/22/24/86/1124222486.db2.gz WEYWTMPLNISQOG-MRXNPFEDSA-N 2 2 339.524 2.162 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001568062186 1124267090 /nfs/dbraw/zinc/26/70/90/1124267090.db2.gz WQZOFGNVXNFABR-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP COCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001568407724 1124477492 /nfs/dbraw/zinc/47/74/92/1124477492.db2.gz UEMJIOCGRCUFRY-GJZGRUSLSA-N 2 2 344.459 2.430 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001569204738 1125162059 /nfs/dbraw/zinc/16/20/59/1125162059.db2.gz ZMZXYKQPQYEQML-UHFFFAOYSA-N 2 2 340.471 2.400 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001565871767 1125446403 /nfs/dbraw/zinc/44/64/03/1125446403.db2.gz SEGAHLRFPFJYLP-LNLFQRSKSA-N 2 2 349.519 2.080 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001565871767 1125446406 /nfs/dbraw/zinc/44/64/06/1125446406.db2.gz SEGAHLRFPFJYLP-LNLFQRSKSA-N 2 2 349.519 2.080 10 0 EEAELP C[C@H]1CCC[N@H+](CCCNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000050171143 214047644 /nfs/dbraw/zinc/04/76/44/214047644.db2.gz QMTYBWRLCUHSMG-HNNXBMFYSA-N 2 2 327.432 2.119 10 0 EEAELP C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000050171143 214047648 /nfs/dbraw/zinc/04/76/48/214047648.db2.gz QMTYBWRLCUHSMG-HNNXBMFYSA-N 2 2 327.432 2.119 10 0 EEAELP NC(=O)c1cc2c(s1)CC[N@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)C2 ZINC000072156633 283368878 /nfs/dbraw/zinc/36/88/78/283368878.db2.gz GEKOZJYUVAKJRI-DZGCQCFKSA-N 2 2 333.501 2.470 10 0 EEAELP NC(=O)c1cc2c(s1)CC[N@@H+](C[C@@H]1CCC[NH+]3CCCC[C@H]13)C2 ZINC000072156633 283368884 /nfs/dbraw/zinc/36/88/84/283368884.db2.gz GEKOZJYUVAKJRI-DZGCQCFKSA-N 2 2 333.501 2.470 10 0 EEAELP NC(=O)c1cc2c(s1)CC[NH+](C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000072156633 283368888 /nfs/dbraw/zinc/36/88/88/283368888.db2.gz GEKOZJYUVAKJRI-DZGCQCFKSA-N 2 2 333.501 2.470 10 0 EEAELP NC(=O)c1cc2c(s1)CC[NH+](C[C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000072156633 283368892 /nfs/dbraw/zinc/36/88/92/283368892.db2.gz GEKOZJYUVAKJRI-DZGCQCFKSA-N 2 2 333.501 2.470 10 0 EEAELP Cc1cccc2nc(C[N@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc(=O)n12 ZINC000129390423 223051478 /nfs/dbraw/zinc/05/14/78/223051478.db2.gz RWLKNIMRUYFNMZ-WMLDXEAASA-N 2 2 337.427 2.283 10 0 EEAELP Cc1cccc2nc(C[N@@H+]3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc(=O)n12 ZINC000129390423 223051482 /nfs/dbraw/zinc/05/14/82/223051482.db2.gz RWLKNIMRUYFNMZ-WMLDXEAASA-N 2 2 337.427 2.283 10 0 EEAELP CN(C)c1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c2ccccc2n1 ZINC000422801051 240230583 /nfs/dbraw/zinc/23/05/83/240230583.db2.gz AXUVBFPLGNYNNI-UYAOXDASSA-N 2 2 340.471 2.157 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCNC(=O)C2CCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422920784 240289932 /nfs/dbraw/zinc/28/99/32/240289932.db2.gz NSQATBUQHJQGRG-OALUTQOASA-N 2 2 345.487 2.384 10 0 EEAELP FC(F)(F)Oc1ccccc1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422927784 240292651 /nfs/dbraw/zinc/29/26/51/240292651.db2.gz HCOGEBCUNMNHMR-HZPDHXFCSA-N 2 2 344.377 2.484 10 0 EEAELP Fc1ccccc1N1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000423143267 240382153 /nfs/dbraw/zinc/38/21/53/240382153.db2.gz WTLJZYPIUJSKGT-MDASCCDHSA-N 2 2 333.451 2.009 10 0 EEAELP COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361154850 284150455 /nfs/dbraw/zinc/15/04/55/284150455.db2.gz QYOXNLMMCGPMJS-GUYCJALGSA-N 2 2 328.416 2.349 10 0 EEAELP COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361154850 284150458 /nfs/dbraw/zinc/15/04/58/284150458.db2.gz QYOXNLMMCGPMJS-GUYCJALGSA-N 2 2 328.416 2.349 10 0 EEAELP Cn1c[nH+]cc1CC[NH+]1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000459312706 245073237 /nfs/dbraw/zinc/07/32/37/245073237.db2.gz SYTGZMZMRHSNNU-UHFFFAOYSA-N 2 2 348.878 2.313 10 0 EEAELP CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000459310643 245073542 /nfs/dbraw/zinc/07/35/42/245073542.db2.gz VYQXQGKTNRYZGT-RUBXOHKTSA-N 2 2 348.535 2.373 10 0 EEAELP CC(C)[C@@]1(C)C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000459310643 245073548 /nfs/dbraw/zinc/07/35/48/245073548.db2.gz VYQXQGKTNRYZGT-RUBXOHKTSA-N 2 2 348.535 2.373 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@H]3CCCn4cc[nH+]c43)CC2)c1 ZINC000080493315 217308480 /nfs/dbraw/zinc/30/84/80/217308480.db2.gz NXBHEUZZBLFHTJ-SFHVURJKSA-N 2 2 338.455 2.413 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3CC[N@@H+]4CCCC[C@H]4C3)[nH+]c2c1 ZINC000264281010 246286163 /nfs/dbraw/zinc/28/61/63/246286163.db2.gz JOTKCPXYLRKEGH-INIZCTEOSA-N 2 2 327.432 2.022 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3CC[N@H+]4CCCC[C@H]4C3)[nH+]c2c1 ZINC000264281010 246286168 /nfs/dbraw/zinc/28/61/68/246286168.db2.gz JOTKCPXYLRKEGH-INIZCTEOSA-N 2 2 327.432 2.022 10 0 EEAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccnn1C ZINC000192636851 533383296 /nfs/dbraw/zinc/38/32/96/533383296.db2.gz LPZYDSXGTOOYLL-QGZVFWFLSA-N 2 2 327.476 2.283 10 0 EEAELP COC(=O)c1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000111231438 142354523 /nfs/dbraw/zinc/35/45/23/142354523.db2.gz JZBHUVMOTLTOBV-IBGZPJMESA-N 2 2 345.487 2.075 10 0 EEAELP COC(=O)c1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000111231438 142354524 /nfs/dbraw/zinc/35/45/24/142354524.db2.gz JZBHUVMOTLTOBV-IBGZPJMESA-N 2 2 345.487 2.075 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000111470156 142361473 /nfs/dbraw/zinc/36/14/73/142361473.db2.gz BDTWIWHGBGTRAA-KRWDZBQOSA-N 2 2 345.491 2.224 10 0 EEAELP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000111470156 142361477 /nfs/dbraw/zinc/36/14/77/142361477.db2.gz BDTWIWHGBGTRAA-KRWDZBQOSA-N 2 2 345.491 2.224 10 0 EEAELP Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1O ZINC000172750443 152114794 /nfs/dbraw/zinc/11/47/94/152114794.db2.gz YLSXSAQMZCNQLC-UHFFFAOYSA-N 2 2 345.487 2.381 10 0 EEAELP Cc1ccc([C@H](CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)[NH+]2CCCC2)cc1 ZINC000263102591 152374172 /nfs/dbraw/zinc/37/41/72/152374172.db2.gz ZPWKRLSTZSGHIL-CVEARBPZSA-N 2 2 337.414 2.245 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCCOc3ccccc3)CC2)cc[nH+]1 ZINC000352228111 153013026 /nfs/dbraw/zinc/01/30/26/153013026.db2.gz VNLZFIIWDJRVQV-UHFFFAOYSA-N 2 2 341.459 2.134 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249036104 160371415 /nfs/dbraw/zinc/37/14/15/160371415.db2.gz XKZVKPQAAGCPSL-AEFFLSMTSA-N 2 2 348.397 2.193 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000249036104 160371417 /nfs/dbraw/zinc/37/14/17/160371417.db2.gz XKZVKPQAAGCPSL-AEFFLSMTSA-N 2 2 348.397 2.193 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000074535944 159067200 /nfs/dbraw/zinc/06/72/00/159067200.db2.gz OIMUNKUPLHMAJF-UHFFFAOYSA-N 2 2 333.480 2.309 10 0 EEAELP COC(=O)COc1c(C)cc(C[NH+]2CCC([NH+](C)C)CC2)cc1C ZINC000091672208 159206868 /nfs/dbraw/zinc/20/68/68/159206868.db2.gz CEONHKCICGQOAM-UHFFFAOYSA-N 2 2 334.460 2.381 10 0 EEAELP CC[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193655736 160185359 /nfs/dbraw/zinc/18/53/59/160185359.db2.gz JKPZTTDZLXDHNH-HLLBOEOZSA-N 2 2 335.879 2.401 10 0 EEAELP CC[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193655736 160185361 /nfs/dbraw/zinc/18/53/61/160185361.db2.gz JKPZTTDZLXDHNH-HLLBOEOZSA-N 2 2 335.879 2.401 10 0 EEAELP CC[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193655736 160185362 /nfs/dbraw/zinc/18/53/62/160185362.db2.gz JKPZTTDZLXDHNH-HLLBOEOZSA-N 2 2 335.879 2.401 10 0 EEAELP CC[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193655736 160185364 /nfs/dbraw/zinc/18/53/64/160185364.db2.gz JKPZTTDZLXDHNH-HLLBOEOZSA-N 2 2 335.879 2.401 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245427443 160233853 /nfs/dbraw/zinc/23/38/53/160233853.db2.gz MAMMHTCSSXKDJE-PKOBYXMFSA-N 2 2 347.503 2.152 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245427443 160233854 /nfs/dbraw/zinc/23/38/54/160233854.db2.gz MAMMHTCSSXKDJE-PKOBYXMFSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245427443 160233855 /nfs/dbraw/zinc/23/38/55/160233855.db2.gz MAMMHTCSSXKDJE-PKOBYXMFSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCOc2cccc(C)c2)[C@@H](C)C1 ZINC000245427443 160233856 /nfs/dbraw/zinc/23/38/56/160233856.db2.gz MAMMHTCSSXKDJE-PKOBYXMFSA-N 2 2 347.503 2.152 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C[C@@H]1C ZINC000246897062 160300233 /nfs/dbraw/zinc/30/02/33/160300233.db2.gz AEWXXEUQZWPETR-PKOBYXMFSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C[C@@H]1C ZINC000246897062 160300235 /nfs/dbraw/zinc/30/02/35/160300235.db2.gz AEWXXEUQZWPETR-PKOBYXMFSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@@H]1C ZINC000246897062 160300236 /nfs/dbraw/zinc/30/02/36/160300236.db2.gz AEWXXEUQZWPETR-PKOBYXMFSA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[NH+]1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C[C@@H]1C ZINC000246897062 160300238 /nfs/dbraw/zinc/30/02/38/160300238.db2.gz AEWXXEUQZWPETR-PKOBYXMFSA-N 2 2 347.503 2.249 10 0 EEAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCc1cc(F)cc(F)c1 ZINC000342603691 161077251 /nfs/dbraw/zinc/07/72/51/161077251.db2.gz LZGJKJFHEOHUPW-UHFFFAOYSA-N 2 2 334.370 2.184 10 0 EEAELP c1cc(N2CC[NH+](CC3CCCCC3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000352390158 162117280 /nfs/dbraw/zinc/11/72/80/162117280.db2.gz CARARANSCZJDTQ-UHFFFAOYSA-N 2 2 345.491 2.016 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000352726695 162262282 /nfs/dbraw/zinc/26/22/82/162262282.db2.gz OXWXBSCSQRTTNK-UHFFFAOYSA-N 2 2 330.457 2.167 10 0 EEAELP C[C@H]1CC[C@@H](CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000355210491 163111387 /nfs/dbraw/zinc/11/13/87/163111387.db2.gz FYJXKDSYJRLODB-QWJAOUKZSA-N 2 2 348.535 2.375 10 0 EEAELP C[C@H]1CC[C@@H](CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000355210491 163111391 /nfs/dbraw/zinc/11/13/91/163111391.db2.gz FYJXKDSYJRLODB-QWJAOUKZSA-N 2 2 348.535 2.375 10 0 EEAELP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355212685 163112411 /nfs/dbraw/zinc/11/24/11/163112411.db2.gz DNQMNEBPODNEAO-JSGCOSHPSA-N 2 2 343.397 2.001 10 0 EEAELP C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000355212685 163112412 /nfs/dbraw/zinc/11/24/12/163112412.db2.gz DNQMNEBPODNEAO-JSGCOSHPSA-N 2 2 343.397 2.001 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)C2 ZINC000356151826 163351407 /nfs/dbraw/zinc/35/14/07/163351407.db2.gz XWGCIZRGEYDFDX-KBPBESRZSA-N 2 2 329.448 2.287 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NC[C@H](C)Cn1cc[nH+]c1)CC2 ZINC000356151826 163351409 /nfs/dbraw/zinc/35/14/09/163351409.db2.gz XWGCIZRGEYDFDX-KBPBESRZSA-N 2 2 329.448 2.287 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103376 166051773 /nfs/dbraw/zinc/05/17/73/166051773.db2.gz VIRPPOKYJIROOF-IUODEOHRSA-N 2 2 348.472 2.379 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103376 166051776 /nfs/dbraw/zinc/05/17/76/166051776.db2.gz VIRPPOKYJIROOF-IUODEOHRSA-N 2 2 348.472 2.379 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372296 166247424 /nfs/dbraw/zinc/24/74/24/166247424.db2.gz HTAXACBPVBNBEL-QGZVFWFLSA-N 2 2 348.466 2.136 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372296 166247425 /nfs/dbraw/zinc/24/74/25/166247425.db2.gz HTAXACBPVBNBEL-QGZVFWFLSA-N 2 2 348.466 2.136 10 0 EEAELP COc1cc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(OC)c1 ZINC000123612476 222306022 /nfs/dbraw/zinc/30/60/22/222306022.db2.gz BFUPUVBXJGDTDL-DZGCQCFKSA-N 2 2 335.448 2.057 10 0 EEAELP COc1cc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc(OC)c1 ZINC000123612476 222306023 /nfs/dbraw/zinc/30/60/23/222306023.db2.gz BFUPUVBXJGDTDL-DZGCQCFKSA-N 2 2 335.448 2.057 10 0 EEAELP COc1cc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000123612476 222306025 /nfs/dbraw/zinc/30/60/25/222306025.db2.gz BFUPUVBXJGDTDL-DZGCQCFKSA-N 2 2 335.448 2.057 10 0 EEAELP COc1cc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000123612476 222306028 /nfs/dbraw/zinc/30/60/28/222306028.db2.gz BFUPUVBXJGDTDL-DZGCQCFKSA-N 2 2 335.448 2.057 10 0 EEAELP COCC[N@@H+]1CC[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000274724158 269046757 /nfs/dbraw/zinc/04/67/57/269046757.db2.gz FTRPBCGGDOIZRK-PMACEKPBSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[N@H+]1CC[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000274724158 269046760 /nfs/dbraw/zinc/04/67/60/269046760.db2.gz FTRPBCGGDOIZRK-PMACEKPBSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[NH+]1CC[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000274724158 269046763 /nfs/dbraw/zinc/04/67/63/269046763.db2.gz FTRPBCGGDOIZRK-PMACEKPBSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[NH+]1CC[C@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000274724158 269046765 /nfs/dbraw/zinc/04/67/65/269046765.db2.gz FTRPBCGGDOIZRK-PMACEKPBSA-N 2 2 331.504 2.207 10 0 EEAELP COCCN1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000274724158 269046768 /nfs/dbraw/zinc/04/67/68/269046768.db2.gz FTRPBCGGDOIZRK-PMACEKPBSA-N 2 2 331.504 2.207 10 0 EEAELP COCCN1CC[C@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000274724158 269046770 /nfs/dbraw/zinc/04/67/70/269046770.db2.gz FTRPBCGGDOIZRK-PMACEKPBSA-N 2 2 331.504 2.207 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000278616741 269236533 /nfs/dbraw/zinc/23/65/33/269236533.db2.gz FJFSDCAUXSDWHP-UHFFFAOYSA-N 2 2 348.406 2.381 10 0 EEAELP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000290638975 275225078 /nfs/dbraw/zinc/22/50/78/275225078.db2.gz HUPZNLXGTPCDRX-OAHLLOKOSA-N 2 2 344.463 2.187 10 0 EEAELP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000290638975 275225079 /nfs/dbraw/zinc/22/50/79/275225079.db2.gz HUPZNLXGTPCDRX-OAHLLOKOSA-N 2 2 344.463 2.187 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292057195 275369251 /nfs/dbraw/zinc/36/92/51/275369251.db2.gz CCNYGVONGVJUCS-FTRWYGJKSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292057195 275369253 /nfs/dbraw/zinc/36/92/53/275369253.db2.gz CCNYGVONGVJUCS-FTRWYGJKSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292057195 275369254 /nfs/dbraw/zinc/36/92/54/275369254.db2.gz CCNYGVONGVJUCS-FTRWYGJKSA-N 2 2 345.487 2.289 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292057195 275369256 /nfs/dbraw/zinc/36/92/56/275369256.db2.gz CCNYGVONGVJUCS-FTRWYGJKSA-N 2 2 345.487 2.289 10 0 EEAELP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366107981 276325984 /nfs/dbraw/zinc/32/59/84/276325984.db2.gz WUOVUVCTJVTERV-HNNXBMFYSA-N 2 2 335.496 2.276 10 0 EEAELP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366107981 276325985 /nfs/dbraw/zinc/32/59/85/276325985.db2.gz WUOVUVCTJVTERV-HNNXBMFYSA-N 2 2 335.496 2.276 10 0 EEAELP COC[C@@]1(C[NH2+]Cc2ccccc2OCC(F)(F)F)CCC[NH2+]1 ZINC000414937592 313112630 /nfs/dbraw/zinc/11/26/30/313112630.db2.gz DESDJFQATZSCPA-HNNXBMFYSA-N 2 2 332.366 2.486 10 0 EEAELP CC[N@H+](CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000416868441 313341246 /nfs/dbraw/zinc/34/12/46/313341246.db2.gz FPVAEKZFLOSINC-FUHWJXTLSA-N 2 2 330.476 2.296 10 0 EEAELP CC[N@@H+](CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000416868441 313341248 /nfs/dbraw/zinc/34/12/48/313341248.db2.gz FPVAEKZFLOSINC-FUHWJXTLSA-N 2 2 330.476 2.296 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528364637 317368524 /nfs/dbraw/zinc/36/85/24/317368524.db2.gz JADZGGBOWCBDAW-CALCHBBNSA-N 2 2 349.494 2.308 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528364637 317368527 /nfs/dbraw/zinc/36/85/27/317368527.db2.gz JADZGGBOWCBDAW-CALCHBBNSA-N 2 2 349.494 2.308 10 0 EEAELP CO[C@@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccc(F)cc1 ZINC000528448241 317389084 /nfs/dbraw/zinc/38/90/84/317389084.db2.gz JQKIFPZBNSZLOX-KRWDZBQOSA-N 2 2 330.407 2.434 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000528782436 317476587 /nfs/dbraw/zinc/47/65/87/317476587.db2.gz JXSWIKZKPDQIHS-RTBURBONSA-N 2 2 347.478 2.462 10 0 EEAELP CO[C@H](C)c1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530241316 317703562 /nfs/dbraw/zinc/70/35/62/317703562.db2.gz QAHATMKZGHZDFG-CJNGLKHVSA-N 2 2 339.505 2.441 10 0 EEAELP C[C@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1n1cc[nH+]c1 ZINC000543692774 318166150 /nfs/dbraw/zinc/16/61/50/318166150.db2.gz YLVXWPLELNDUEP-WMLDXEAASA-N 2 2 327.432 2.068 10 0 EEAELP CN(CCC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)CC[NH+](C)C ZINC000564323384 319078413 /nfs/dbraw/zinc/07/84/13/319078413.db2.gz IBORHNWMYHBBNA-UHFFFAOYSA-N 3 2 335.521 2.249 10 0 EEAELP CN(CCC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1)CC[NH+](C)C ZINC000564323384 319078414 /nfs/dbraw/zinc/07/84/14/319078414.db2.gz IBORHNWMYHBBNA-UHFFFAOYSA-N 3 2 335.521 2.249 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000565157060 319153724 /nfs/dbraw/zinc/15/37/24/319153724.db2.gz KZNMDZPTMBDXLL-STQMWFEESA-N 2 2 344.381 2.010 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000565157060 319153726 /nfs/dbraw/zinc/15/37/26/319153726.db2.gz KZNMDZPTMBDXLL-STQMWFEESA-N 2 2 344.381 2.010 10 0 EEAELP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[NH+]2CC(C)(C)C2)cc1 ZINC000565189338 319159368 /nfs/dbraw/zinc/15/93/68/319159368.db2.gz PIVUHOGIZYICQS-SFHVURJKSA-N 2 2 345.487 2.290 10 0 EEAELP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)N1CCc2sccc2C1 ZINC000565221919 319164208 /nfs/dbraw/zinc/16/42/08/319164208.db2.gz NCODYUGXDPPNKS-UHFFFAOYSA-N 2 2 333.501 2.226 10 0 EEAELP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)N1CCc2sccc2C1 ZINC000565221919 319164209 /nfs/dbraw/zinc/16/42/09/319164209.db2.gz NCODYUGXDPPNKS-UHFFFAOYSA-N 2 2 333.501 2.226 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000566419359 319283956 /nfs/dbraw/zinc/28/39/56/319283956.db2.gz SVEAKXQCLUPMKW-IBGZPJMESA-N 2 2 331.504 2.074 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000566419359 319283958 /nfs/dbraw/zinc/28/39/58/319283958.db2.gz SVEAKXQCLUPMKW-IBGZPJMESA-N 2 2 331.504 2.074 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574773455 320056712 /nfs/dbraw/zinc/05/67/12/320056712.db2.gz FURIMXHBJNGGCX-CABCVRRESA-N 2 2 333.480 2.355 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000574773455 320056713 /nfs/dbraw/zinc/05/67/13/320056713.db2.gz FURIMXHBJNGGCX-CABCVRRESA-N 2 2 333.480 2.355 10 0 EEAELP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1(C)C ZINC000181934806 323360416 /nfs/dbraw/zinc/36/04/16/323360416.db2.gz YPXOWJQKBYXCJE-RRFJBIMHSA-N 2 2 333.480 2.280 10 0 EEAELP COC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000580225468 324020073 /nfs/dbraw/zinc/02/00/73/324020073.db2.gz ZBEAHRYYWBAKNR-KGLIPLIRSA-N 2 2 328.416 2.372 10 0 EEAELP COC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000580225468 324020076 /nfs/dbraw/zinc/02/00/76/324020076.db2.gz ZBEAHRYYWBAKNR-KGLIPLIRSA-N 2 2 328.416 2.372 10 0 EEAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)[C@H]1n1cccn1 ZINC000580630573 324101075 /nfs/dbraw/zinc/10/10/75/324101075.db2.gz UPDMGZFYNOUFQP-BRWVUGGUSA-N 2 2 325.416 2.348 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)[C@H]1n1cccn1 ZINC000580630574 324101115 /nfs/dbraw/zinc/10/11/15/324101115.db2.gz UPDMGZFYNOUFQP-GVDBMIGSSA-N 2 2 325.416 2.348 10 0 EEAELP O=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)NCC1CC1 ZINC000581607339 324288770 /nfs/dbraw/zinc/28/87/70/324288770.db2.gz VXRSNAXKRLRQBC-GOSISDBHSA-N 2 2 327.472 2.299 10 0 EEAELP O=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)NCC1CC1 ZINC000581607339 324288773 /nfs/dbraw/zinc/28/87/73/324288773.db2.gz VXRSNAXKRLRQBC-GOSISDBHSA-N 2 2 327.472 2.299 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000582110660 324381358 /nfs/dbraw/zinc/38/13/58/324381358.db2.gz GYAZSCVZORWLQY-UHFFFAOYSA-N 2 2 343.431 2.343 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])nc(C(C)C)[nH+]1 ZINC000529367718 448843579 /nfs/dbraw/zinc/84/35/79/448843579.db2.gz QDIGPVVQKJPTBQ-LSDHHAIUSA-N 2 2 348.495 2.232 10 0 EEAELP CCOC(=O)CCc1cc(NCC2(C)CC[NH+](C)CC2)nc(C)[nH+]1 ZINC000601139371 449711575 /nfs/dbraw/zinc/71/15/75/449711575.db2.gz BZHOKWFWVCAGDX-UHFFFAOYSA-N 2 2 334.464 2.425 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3Cc3ccccc3)[C@H]2C1 ZINC000339383956 465237078 /nfs/dbraw/zinc/23/70/78/465237078.db2.gz AWULLJWKQDPKCY-VQTJNVASSA-N 2 2 340.471 2.226 10 0 EEAELP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]cn3Cc3ccccc3)[C@H]2C1 ZINC000339383956 465237082 /nfs/dbraw/zinc/23/70/82/465237082.db2.gz AWULLJWKQDPKCY-VQTJNVASSA-N 2 2 340.471 2.226 10 0 EEAELP C[N@H+](CCC[NH+]1CCCC1)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000337275961 465281333 /nfs/dbraw/zinc/28/13/33/465281333.db2.gz QNHDCFNOWCGKBX-CQSZACIVSA-N 2 2 335.414 2.205 10 0 EEAELP C[N@@H+](CCC[NH+]1CCCC1)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000337275961 465281335 /nfs/dbraw/zinc/28/13/35/465281335.db2.gz QNHDCFNOWCGKBX-CQSZACIVSA-N 2 2 335.414 2.205 10 0 EEAELP CC(C)(C)OC[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000095980423 463124295 /nfs/dbraw/zinc/12/42/95/463124295.db2.gz TVCUTLOROCDSNT-CYBMUJFWSA-N 2 2 327.856 2.033 10 0 EEAELP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CC2)CC1 ZINC000121550903 463155311 /nfs/dbraw/zinc/15/53/11/463155311.db2.gz LRUGENQBBPKQHV-LJQANCHMSA-N 2 2 327.472 2.348 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3CCC(F)(F)CC3)CC2)CC1 ZINC000122220580 463247497 /nfs/dbraw/zinc/24/74/97/463247497.db2.gz RDPWCEVCNBJUDP-UHFFFAOYSA-N 2 2 343.462 2.487 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C/C=C/C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000123077802 463315355 /nfs/dbraw/zinc/31/53/55/463315355.db2.gz YWCCHDKGYIHCRF-TXTAVCGVSA-N 4 2 336.568 2.372 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C/C=C/C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1C ZINC000123077802 463315364 /nfs/dbraw/zinc/31/53/64/463315364.db2.gz YWCCHDKGYIHCRF-TXTAVCGVSA-N 2 2 336.568 2.372 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C/C=C/C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000123077802 463315370 /nfs/dbraw/zinc/31/53/70/463315370.db2.gz YWCCHDKGYIHCRF-TXTAVCGVSA-N 2 2 336.568 2.372 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)C/C=C/C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[NH+]1C ZINC000123077802 463315373 /nfs/dbraw/zinc/31/53/73/463315373.db2.gz YWCCHDKGYIHCRF-TXTAVCGVSA-N 2 2 336.568 2.372 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000081256974 463410256 /nfs/dbraw/zinc/41/02/56/463410256.db2.gz ZQPODHCTPHTFJM-WMZOPIPTSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000081256974 463410261 /nfs/dbraw/zinc/41/02/61/463410261.db2.gz ZQPODHCTPHTFJM-WMZOPIPTSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000081256974 463410264 /nfs/dbraw/zinc/41/02/64/463410264.db2.gz ZQPODHCTPHTFJM-WMZOPIPTSA-N 2 2 330.476 2.037 10 0 EEAELP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000081256974 463410269 /nfs/dbraw/zinc/41/02/69/463410269.db2.gz ZQPODHCTPHTFJM-WMZOPIPTSA-N 2 2 330.476 2.037 10 0 EEAELP COC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124766075 463462200 /nfs/dbraw/zinc/46/22/00/463462200.db2.gz VCRWTDJJGBRQMY-SZMVWBNQSA-N 2 2 339.524 2.065 10 0 EEAELP COC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124766075 463462201 /nfs/dbraw/zinc/46/22/01/463462201.db2.gz VCRWTDJJGBRQMY-SZMVWBNQSA-N 2 2 339.524 2.065 10 0 EEAELP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000081572477 463462564 /nfs/dbraw/zinc/46/25/64/463462564.db2.gz VABNSKMBEMSPIL-QGZVFWFLSA-N 2 2 342.487 2.287 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000081572477 463462569 /nfs/dbraw/zinc/46/25/69/463462569.db2.gz VABNSKMBEMSPIL-QGZVFWFLSA-N 2 2 342.487 2.287 10 0 EEAELP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000081572477 463462574 /nfs/dbraw/zinc/46/25/74/463462574.db2.gz VABNSKMBEMSPIL-QGZVFWFLSA-N 2 2 342.487 2.287 10 0 EEAELP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)C1 ZINC000081572477 463462577 /nfs/dbraw/zinc/46/25/77/463462577.db2.gz VABNSKMBEMSPIL-QGZVFWFLSA-N 2 2 342.487 2.287 10 0 EEAELP Cc1ccsc1CNC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876632 463485043 /nfs/dbraw/zinc/48/50/43/463485043.db2.gz CNXNCLRDKNFCGA-UHFFFAOYSA-N 2 2 346.500 2.361 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000105896316 463492184 /nfs/dbraw/zinc/49/21/84/463492184.db2.gz OSGIUKWIIVGVEL-CQSZACIVSA-N 2 2 343.456 2.352 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000105896316 463492190 /nfs/dbraw/zinc/49/21/90/463492190.db2.gz OSGIUKWIIVGVEL-CQSZACIVSA-N 2 2 343.456 2.352 10 0 EEAELP Cc1ccccc1CC(=O)N1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000125074811 463500367 /nfs/dbraw/zinc/50/03/67/463500367.db2.gz NOZVFYIUYQXCMO-IBGZPJMESA-N 2 2 329.488 2.166 10 0 EEAELP Cc1ccccc1CC(=O)N1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000125074811 463500372 /nfs/dbraw/zinc/50/03/72/463500372.db2.gz NOZVFYIUYQXCMO-IBGZPJMESA-N 2 2 329.488 2.166 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000057819069 463521158 /nfs/dbraw/zinc/52/11/58/463521158.db2.gz QYIVGDZXEWHNHU-QGZVFWFLSA-N 2 2 345.491 2.355 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000057819069 463521165 /nfs/dbraw/zinc/52/11/65/463521165.db2.gz QYIVGDZXEWHNHU-QGZVFWFLSA-N 2 2 345.491 2.355 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[NH3+])o3)CC2)s1 ZINC000167352371 463662610 /nfs/dbraw/zinc/66/26/10/463662610.db2.gz DLSQSCRFBVJELG-UHFFFAOYSA-N 2 2 333.457 2.320 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178124510 463848811 /nfs/dbraw/zinc/84/88/11/463848811.db2.gz QQZXVNFEEONJOL-INIZCTEOSA-N 2 2 330.476 2.418 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178124510 463848816 /nfs/dbraw/zinc/84/88/16/463848816.db2.gz QQZXVNFEEONJOL-INIZCTEOSA-N 2 2 330.476 2.418 10 0 EEAELP O=C(NCCn1cc[nH+]c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171531362 463877976 /nfs/dbraw/zinc/87/79/76/463877976.db2.gz VTUKNVBRDXRQHR-QGZVFWFLSA-N 2 2 333.480 2.181 10 0 EEAELP C[C@]1(C[NH+]2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261890542 463890495 /nfs/dbraw/zinc/89/04/95/463890495.db2.gz TUOZWVOXQNPBKX-SFHVURJKSA-N 2 2 335.879 2.026 10 0 EEAELP COc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000178755633 463963938 /nfs/dbraw/zinc/96/39/38/463963938.db2.gz TURDRBWKLGSPMS-QAPCUYQASA-N 2 2 326.444 2.485 10 0 EEAELP COc1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000178755633 463963941 /nfs/dbraw/zinc/96/39/41/463963941.db2.gz TURDRBWKLGSPMS-QAPCUYQASA-N 2 2 326.444 2.485 10 0 EEAELP C[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000263116866 464059366 /nfs/dbraw/zinc/05/93/66/464059366.db2.gz ARNYVKVKJNDGIA-GOEBONIOSA-N 2 2 337.414 2.107 10 0 EEAELP C[C@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000263116866 464059368 /nfs/dbraw/zinc/05/93/68/464059368.db2.gz ARNYVKVKJNDGIA-GOEBONIOSA-N 2 2 337.414 2.107 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2cccc3c2OCO3)CCC[N@H+]1C ZINC000284470601 464204462 /nfs/dbraw/zinc/20/44/62/464204462.db2.gz IECAVTUMWPRGQQ-KBXCAEBGSA-N 2 2 342.443 2.322 10 0 EEAELP C[NH2+]C1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000237113983 464267412 /nfs/dbraw/zinc/26/74/12/464267412.db2.gz SVSLVKJYSOTZGM-UHFFFAOYSA-N 2 2 332.473 2.086 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C ZINC000173648734 464302655 /nfs/dbraw/zinc/30/26/55/464302655.db2.gz CJDPRJHQVVOJHR-GDBMZVCRSA-N 2 2 329.448 2.001 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C ZINC000173648734 464302659 /nfs/dbraw/zinc/30/26/59/464302659.db2.gz CJDPRJHQVVOJHR-GDBMZVCRSA-N 2 2 329.448 2.001 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000181005295 464432278 /nfs/dbraw/zinc/43/22/78/464432278.db2.gz DEEJHCNATXRAGZ-HUUCEWRRSA-N 2 2 349.479 2.055 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000174821968 464454667 /nfs/dbraw/zinc/45/46/67/464454667.db2.gz LHVMGBTXNPZRQS-DLBZAZTESA-N 2 2 341.459 2.411 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000174821968 464454670 /nfs/dbraw/zinc/45/46/70/464454670.db2.gz LHVMGBTXNPZRQS-DLBZAZTESA-N 2 2 341.459 2.411 10 0 EEAELP CC(C)c1noc([C@@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000174881627 464463017 /nfs/dbraw/zinc/46/30/17/464463017.db2.gz HIJDKFMHLQQMBH-CVEARBPZSA-N 2 2 335.496 2.356 10 0 EEAELP CC(C)c1noc([C@@H](C)[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000174881627 464463023 /nfs/dbraw/zinc/46/30/23/464463023.db2.gz HIJDKFMHLQQMBH-CVEARBPZSA-N 2 2 335.496 2.356 10 0 EEAELP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246268140 464564978 /nfs/dbraw/zinc/56/49/78/464564978.db2.gz VNMHQGJZNXVLJG-HUUCEWRRSA-N 2 2 349.441 2.451 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246268140 464564984 /nfs/dbraw/zinc/56/49/84/464564984.db2.gz VNMHQGJZNXVLJG-HUUCEWRRSA-N 2 2 349.441 2.451 10 0 EEAELP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246268140 464564988 /nfs/dbraw/zinc/56/49/88/464564988.db2.gz VNMHQGJZNXVLJG-HUUCEWRRSA-N 2 2 349.441 2.451 10 0 EEAELP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246268140 464564992 /nfs/dbraw/zinc/56/49/92/464564992.db2.gz VNMHQGJZNXVLJG-HUUCEWRRSA-N 2 2 349.441 2.451 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265472514 464571806 /nfs/dbraw/zinc/57/18/06/464571806.db2.gz IMSHSALQOWYOQO-UHFFFAOYSA-N 2 2 344.415 2.245 10 0 EEAELP COC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182567778 464685271 /nfs/dbraw/zinc/68/52/71/464685271.db2.gz FBQFWIUHKRJUAC-YOEHRIQHSA-N 2 2 328.403 2.089 10 0 EEAELP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000176136327 464706648 /nfs/dbraw/zinc/70/66/48/464706648.db2.gz XSOCCUPCEBNOLD-MOPGFXCFSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000176136327 464706652 /nfs/dbraw/zinc/70/66/52/464706652.db2.gz XSOCCUPCEBNOLD-MOPGFXCFSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000176136327 464706657 /nfs/dbraw/zinc/70/66/57/464706657.db2.gz XSOCCUPCEBNOLD-MOPGFXCFSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000176136327 464706663 /nfs/dbraw/zinc/70/66/63/464706663.db2.gz XSOCCUPCEBNOLD-MOPGFXCFSA-N 2 2 345.462 2.487 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000266716483 464797767 /nfs/dbraw/zinc/79/77/67/464797767.db2.gz RSUMCVFYKDPILD-CVEARBPZSA-N 2 2 327.432 2.103 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2ccccc2[nH+]1 ZINC000266716483 464797772 /nfs/dbraw/zinc/79/77/72/464797772.db2.gz RSUMCVFYKDPILD-CVEARBPZSA-N 2 2 327.432 2.103 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000183175861 464815370 /nfs/dbraw/zinc/81/53/70/464815370.db2.gz YEDJLMGPRKWTDG-MRXNPFEDSA-N 2 2 334.489 2.340 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](c1cccs1)N1CCOCC1 ZINC000183175861 464815374 /nfs/dbraw/zinc/81/53/74/464815374.db2.gz YEDJLMGPRKWTDG-MRXNPFEDSA-N 2 2 334.489 2.340 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192735833 464986612 /nfs/dbraw/zinc/98/66/12/464986612.db2.gz YHMUYONUFHCGCC-LJQANCHMSA-N 3 2 347.551 2.499 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192735833 464986620 /nfs/dbraw/zinc/98/66/20/464986620.db2.gz YHMUYONUFHCGCC-LJQANCHMSA-N 3 2 347.551 2.499 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371229396 465657541 /nfs/dbraw/zinc/65/75/41/465657541.db2.gz IYDCFBNJLZZTIP-JKSUJKDBSA-N 2 2 326.444 2.335 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1 ZINC000357113960 465783498 /nfs/dbraw/zinc/78/34/98/465783498.db2.gz AEINPTLWWXBVGS-SFHVURJKSA-N 2 2 335.411 2.300 10 0 EEAELP CC(=O)N1CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C(C)(C)C1 ZINC000330893919 465849868 /nfs/dbraw/zinc/84/98/68/465849868.db2.gz DZWUWBQGBYFIPR-UHFFFAOYSA-N 2 2 327.432 2.018 10 0 EEAELP CC(=O)N1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C(C)(C)C1 ZINC000330893919 465849874 /nfs/dbraw/zinc/84/98/74/465849874.db2.gz DZWUWBQGBYFIPR-UHFFFAOYSA-N 2 2 327.432 2.018 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000353505013 465938484 /nfs/dbraw/zinc/93/84/84/465938484.db2.gz UFHPQHXCGNRLQM-HZPDHXFCSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000353505013 465938491 /nfs/dbraw/zinc/93/84/91/465938491.db2.gz UFHPQHXCGNRLQM-HZPDHXFCSA-N 2 2 329.448 2.029 10 0 EEAELP C[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1C(=O)OC(C)(C)C ZINC000580074979 468462695 /nfs/dbraw/zinc/46/26/95/468462695.db2.gz PWLAWXJSWHYWRR-DZGCQCFKSA-N 2 2 336.480 2.286 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1C(=O)OC(C)(C)C ZINC000580074979 468462701 /nfs/dbraw/zinc/46/27/01/468462701.db2.gz PWLAWXJSWHYWRR-DZGCQCFKSA-N 2 2 336.480 2.286 10 0 EEAELP O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)CN1 ZINC000346168507 465955789 /nfs/dbraw/zinc/95/57/89/465955789.db2.gz LHYJZRLAPYYVEJ-BBRMVZONSA-N 2 2 330.457 2.424 10 0 EEAELP O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)CN1 ZINC000346168507 465955792 /nfs/dbraw/zinc/95/57/92/465955792.db2.gz LHYJZRLAPYYVEJ-BBRMVZONSA-N 2 2 330.457 2.424 10 0 EEAELP O=C(C[N@@H+]1CCO[C@H](C2CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000349237988 466029864 /nfs/dbraw/zinc/02/98/64/466029864.db2.gz JIEFLCRDPGFKKK-IBGZPJMESA-N 2 2 349.519 2.011 10 0 EEAELP O=C(C[N@H+]1CCO[C@H](C2CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000349237988 466029876 /nfs/dbraw/zinc/02/98/76/466029876.db2.gz JIEFLCRDPGFKKK-IBGZPJMESA-N 2 2 349.519 2.011 10 0 EEAELP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c(C2CC2)n1 ZINC000302412265 466138856 /nfs/dbraw/zinc/13/88/56/466138856.db2.gz HFPINRWXEJJQKE-FQEVSTJZSA-N 2 2 338.455 2.427 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)c[nH+]1 ZINC000349641778 466172457 /nfs/dbraw/zinc/17/24/57/466172457.db2.gz FCAKUPWDNDJWCQ-KRWDZBQOSA-N 2 2 345.491 2.306 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)c[nH+]1 ZINC000349641778 466172464 /nfs/dbraw/zinc/17/24/64/466172464.db2.gz FCAKUPWDNDJWCQ-KRWDZBQOSA-N 2 2 345.491 2.306 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000367623596 466456258 /nfs/dbraw/zinc/45/62/58/466456258.db2.gz PVJQDUMRTCSULZ-RTBURBONSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@H](C[NH+]1CCOCC1)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000367623596 466456268 /nfs/dbraw/zinc/45/62/68/466456268.db2.gz PVJQDUMRTCSULZ-RTBURBONSA-N 2 2 331.504 2.304 10 0 EEAELP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000320466053 466609695 /nfs/dbraw/zinc/60/96/95/466609695.db2.gz LAFCCENSJHCPEN-ZACQAIPSSA-N 2 2 333.501 2.313 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1NC(C)=O ZINC000363787241 466617504 /nfs/dbraw/zinc/61/75/04/466617504.db2.gz XBPWBIOEDJODDY-XKQJLSEDSA-N 2 2 347.459 2.167 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1NC(C)=O ZINC000363787241 466617508 /nfs/dbraw/zinc/61/75/08/466617508.db2.gz XBPWBIOEDJODDY-XKQJLSEDSA-N 2 2 347.459 2.167 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000321118914 466618568 /nfs/dbraw/zinc/61/85/68/466618568.db2.gz CFDUIXLVJUQAAC-GOEBONIOSA-N 2 2 333.501 2.097 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000321118914 466618571 /nfs/dbraw/zinc/61/85/71/466618571.db2.gz CFDUIXLVJUQAAC-GOEBONIOSA-N 2 2 333.501 2.097 10 0 EEAELP Brc1cccc(C[N@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000662251014 472042705 /nfs/dbraw/zinc/04/27/05/472042705.db2.gz VUBIWSXGUSTPHB-HNNXBMFYSA-N 2 2 325.250 2.402 10 0 EEAELP Brc1cccc(C[N@@H+](C[C@@H]2C[NH2+]CCO2)C2CC2)c1 ZINC000662251014 472042708 /nfs/dbraw/zinc/04/27/08/472042708.db2.gz VUBIWSXGUSTPHB-HNNXBMFYSA-N 2 2 325.250 2.402 10 0 EEAELP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)CCCO2 ZINC000423532524 466768730 /nfs/dbraw/zinc/76/87/30/466768730.db2.gz ZVJAFDWYRQPBDL-OCCSQVGLSA-N 2 2 341.249 2.241 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4[nH]ccc4s3)C2)CC1 ZINC000373510155 466828116 /nfs/dbraw/zinc/82/81/16/466828116.db2.gz RTNGCRFEPWERRV-LBPRGKRZSA-N 2 2 332.473 2.128 10 0 EEAELP CC(=O)c1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)o1 ZINC000365668936 466901961 /nfs/dbraw/zinc/90/19/61/466901961.db2.gz FOVBIZCTQJRKAO-UHFFFAOYSA-N 2 2 347.459 2.162 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC(C)(C)C[NH3+])c(C)c1 ZINC000417943738 466996934 /nfs/dbraw/zinc/99/69/34/466996934.db2.gz VICUPNURLSZPCI-MRXNPFEDSA-N 2 2 329.448 2.278 10 0 EEAELP Cc1cc(C)c(CNC(=O)N(CC[NH3+])CCc2ccccc2)c[nH+]1 ZINC000418258090 467085259 /nfs/dbraw/zinc/08/52/59/467085259.db2.gz FLGXWYBMPKRIQL-UHFFFAOYSA-N 2 2 326.444 2.411 10 0 EEAELP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)C(=O)N1CCSc2ccccc21 ZINC000420359996 467377221 /nfs/dbraw/zinc/37/72/21/467377221.db2.gz GOPWYIALICMXLT-QDEZUTFSSA-N 2 2 333.501 2.490 10 0 EEAELP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414930858 467452960 /nfs/dbraw/zinc/45/29/60/467452960.db2.gz BEKTWNKVKWZLOJ-BXUZGUMPSA-N 2 2 330.881 2.221 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000449492149 467652589 /nfs/dbraw/zinc/65/25/89/467652589.db2.gz IOUIKXAEEKMQDR-WMZOPIPTSA-N 2 2 340.508 2.445 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000528649958 467721267 /nfs/dbraw/zinc/72/12/67/467721267.db2.gz OTULIGWAASIEEJ-QAPCUYQASA-N 2 2 330.476 2.065 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457468810 467830623 /nfs/dbraw/zinc/83/06/23/467830623.db2.gz XOUHQMMXUXBABC-UHFFFAOYSA-N 2 2 342.487 2.431 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000514992702 467966677 /nfs/dbraw/zinc/96/66/77/467966677.db2.gz LPZJGOQJMKYIMZ-SFHVURJKSA-N 2 2 326.444 2.080 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000514992702 467966679 /nfs/dbraw/zinc/96/66/79/467966679.db2.gz LPZJGOQJMKYIMZ-SFHVURJKSA-N 2 2 326.444 2.080 10 0 EEAELP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000515432469 467992023 /nfs/dbraw/zinc/99/20/23/467992023.db2.gz DWRFEWVSMALGJM-KRWDZBQOSA-N 2 2 329.488 2.309 10 0 EEAELP C[C@@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000515432469 467992025 /nfs/dbraw/zinc/99/20/25/467992025.db2.gz DWRFEWVSMALGJM-KRWDZBQOSA-N 2 2 329.488 2.309 10 0 EEAELP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000517060904 468068539 /nfs/dbraw/zinc/06/85/39/468068539.db2.gz PMQMGOKDRRLUQA-GXTWGEPZSA-N 2 2 328.416 2.283 10 0 EEAELP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000517060904 468068542 /nfs/dbraw/zinc/06/85/42/468068542.db2.gz PMQMGOKDRRLUQA-GXTWGEPZSA-N 2 2 328.416 2.283 10 0 EEAELP Cn1ncc(Br)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000494999568 468082056 /nfs/dbraw/zinc/08/20/56/468082056.db2.gz UXZDPAIFWNZZMU-YPMHNXCESA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000494999568 468082058 /nfs/dbraw/zinc/08/20/58/468082058.db2.gz UXZDPAIFWNZZMU-YPMHNXCESA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000494999568 468082060 /nfs/dbraw/zinc/08/20/60/468082060.db2.gz UXZDPAIFWNZZMU-YPMHNXCESA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000494999568 468082063 /nfs/dbraw/zinc/08/20/63/468082063.db2.gz UXZDPAIFWNZZMU-YPMHNXCESA-N 2 2 327.270 2.099 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCCc3cccc(F)c3)CC2)cc[nH+]1 ZINC000490041997 468188489 /nfs/dbraw/zinc/18/84/89/468188489.db2.gz ULRFCRNSCQHBTR-UHFFFAOYSA-N 2 2 343.450 2.437 10 0 EEAELP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851995 468223505 /nfs/dbraw/zinc/22/35/05/468223505.db2.gz FBHOBPYZBYOKQD-RTBURBONSA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851995 468223506 /nfs/dbraw/zinc/22/35/06/468223506.db2.gz FBHOBPYZBYOKQD-RTBURBONSA-N 3 2 331.504 2.086 10 0 EEAELP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000582487919 468547714 /nfs/dbraw/zinc/54/77/14/468547714.db2.gz IVIQLHIMUQEDAK-INIZCTEOSA-N 2 2 346.452 2.147 10 0 EEAELP Cc1ccn(-c2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000570200288 468602860 /nfs/dbraw/zinc/60/28/60/468602860.db2.gz XFBQCUVFVQZECE-OALUTQOASA-N 2 2 326.444 2.037 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221960 468606174 /nfs/dbraw/zinc/60/61/74/468606174.db2.gz CQPYUGKIYSZBDW-RBUKOAKNSA-N 2 2 349.519 2.356 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221960 468606179 /nfs/dbraw/zinc/60/61/79/468606179.db2.gz CQPYUGKIYSZBDW-RBUKOAKNSA-N 2 2 349.519 2.356 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221960 468606181 /nfs/dbraw/zinc/60/61/81/468606181.db2.gz CQPYUGKIYSZBDW-RBUKOAKNSA-N 2 2 349.519 2.356 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221960 468606186 /nfs/dbraw/zinc/60/61/86/468606186.db2.gz CQPYUGKIYSZBDW-RBUKOAKNSA-N 2 2 349.519 2.356 10 0 EEAELP CC(C)(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1c[nH+]c[nH]1 ZINC000582900345 468614103 /nfs/dbraw/zinc/61/41/03/468614103.db2.gz ATFCFAUOFPUKRS-DLBZAZTESA-N 2 2 338.455 2.420 10 0 EEAELP CCn1c2ccccc2nc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000558597817 468691394 /nfs/dbraw/zinc/69/13/94/468691394.db2.gz DJIVLARLPOUVNK-UHFFFAOYSA-N 2 2 329.492 2.126 10 0 EEAELP CCn1c2ccccc2nc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000558597817 468691397 /nfs/dbraw/zinc/69/13/97/468691397.db2.gz DJIVLARLPOUVNK-UHFFFAOYSA-N 2 2 329.492 2.126 10 0 EEAELP Cn1cncc1[C@H]1[C@H](CNc2[nH+]c3ccccc3n2C)CCC[N@@H+]1C ZINC000583618236 468726768 /nfs/dbraw/zinc/72/67/68/468726768.db2.gz WIIDKDUXYHDROE-KBXCAEBGSA-N 2 2 338.459 2.802 10 0 EEAELP Cn1cncc1[C@H]1[C@H](CNc2[nH+]c3ccccc3n2C)CCC[N@H+]1C ZINC000583618236 468726771 /nfs/dbraw/zinc/72/67/71/468726771.db2.gz WIIDKDUXYHDROE-KBXCAEBGSA-N 2 2 338.459 2.802 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000583679160 468739306 /nfs/dbraw/zinc/73/93/06/468739306.db2.gz YOLVARAOKZQPLG-LJQANCHMSA-N 2 2 328.504 2.172 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000583679160 468739311 /nfs/dbraw/zinc/73/93/11/468739311.db2.gz YOLVARAOKZQPLG-LJQANCHMSA-N 2 2 328.504 2.172 10 0 EEAELP C[C@H](CSCCF)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000595099364 468758444 /nfs/dbraw/zinc/75/84/44/468758444.db2.gz LWSDZAVMXWEWEC-AEFFLSMTSA-N 2 2 339.524 2.483 10 0 EEAELP C[C@H](CSCCF)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000595099364 468758450 /nfs/dbraw/zinc/75/84/50/468758450.db2.gz LWSDZAVMXWEWEC-AEFFLSMTSA-N 2 2 339.524 2.483 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571404154 468784232 /nfs/dbraw/zinc/78/42/32/468784232.db2.gz KJGVSVGPNDXEFY-JXFKEZNVSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571404154 468784236 /nfs/dbraw/zinc/78/42/36/468784236.db2.gz KJGVSVGPNDXEFY-JXFKEZNVSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584124155 468804419 /nfs/dbraw/zinc/80/44/19/468804419.db2.gz VQNOIKLBBDXBLS-TZGCNFNXSA-N 2 2 333.451 2.376 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000584124155 468804423 /nfs/dbraw/zinc/80/44/23/468804423.db2.gz VQNOIKLBBDXBLS-TZGCNFNXSA-N 2 2 333.451 2.376 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000573110702 469064265 /nfs/dbraw/zinc/06/42/65/469064265.db2.gz CQBHDOSCEPOVKZ-INIZCTEOSA-N 2 2 339.867 2.369 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000573110702 469064270 /nfs/dbraw/zinc/06/42/70/469064270.db2.gz CQBHDOSCEPOVKZ-INIZCTEOSA-N 2 2 339.867 2.369 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cs1 ZINC000595904713 469073651 /nfs/dbraw/zinc/07/36/51/469073651.db2.gz BNVLQFQEIBHTTC-AWEZNQCLSA-N 2 2 326.462 2.077 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cs1 ZINC000595904713 469073659 /nfs/dbraw/zinc/07/36/59/469073659.db2.gz BNVLQFQEIBHTTC-AWEZNQCLSA-N 2 2 326.462 2.077 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000618560647 469389867 /nfs/dbraw/zinc/38/98/67/469389867.db2.gz HISVXDBLYAVTAT-FVXMCEBTSA-N 2 2 342.487 2.121 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000618560647 469389869 /nfs/dbraw/zinc/38/98/69/469389869.db2.gz HISVXDBLYAVTAT-FVXMCEBTSA-N 2 2 342.487 2.121 10 0 EEAELP C[NH+]1CCN([C@H](C(=O)Nc2ccc3[nH+]ccn3c2)c2ccccc2)CC1 ZINC000603886661 469441614 /nfs/dbraw/zinc/44/16/14/469441614.db2.gz ZXIUARNHPZXPSQ-IBGZPJMESA-N 2 2 349.438 2.262 10 0 EEAELP C[C@@H]1C[N@H+](CCN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCO1 ZINC000626075464 469495728 /nfs/dbraw/zinc/49/57/28/469495728.db2.gz JIEKYKNEUAGNFI-QGZVFWFLSA-N 2 2 342.487 2.006 10 0 EEAELP C[C@@H]1C[N@@H+](CCN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCO1 ZINC000626075464 469495730 /nfs/dbraw/zinc/49/57/30/469495730.db2.gz JIEKYKNEUAGNFI-QGZVFWFLSA-N 2 2 342.487 2.006 10 0 EEAELP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000626087555 469498408 /nfs/dbraw/zinc/49/84/08/469498408.db2.gz RYIOXVMZFQSWFN-IRXDYDNUSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C[NH2+]1 ZINC000629397429 469531051 /nfs/dbraw/zinc/53/10/51/469531051.db2.gz VEISCXKBUDTRGS-JQWIXIFHSA-N 2 2 341.249 2.450 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](c1[nH+]ccn1C)c1ccccc1F ZINC000626926657 469757532 /nfs/dbraw/zinc/75/75/32/469757532.db2.gz CFZOZCQQGIUFIP-XHSDSOJGSA-N 2 2 345.422 2.088 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000626996223 469782720 /nfs/dbraw/zinc/78/27/20/469782720.db2.gz LILPGLUTTVEGFC-DOTOQJQBSA-N 2 2 341.459 2.066 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(Cl)cncc1Cl ZINC000617763399 469795896 /nfs/dbraw/zinc/79/58/96/469795896.db2.gz PPBJZAUJKDQFKY-UHFFFAOYSA-N 2 2 333.263 2.002 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(Cl)cncc1Cl ZINC000617763399 469795899 /nfs/dbraw/zinc/79/58/99/469795899.db2.gz PPBJZAUJKDQFKY-UHFFFAOYSA-N 2 2 333.263 2.002 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)cs1 ZINC000617767125 469797169 /nfs/dbraw/zinc/79/71/69/469797169.db2.gz HWGWVJCJZDKXSM-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)cs1 ZINC000617767125 469797176 /nfs/dbraw/zinc/79/71/76/469797176.db2.gz HWGWVJCJZDKXSM-UHFFFAOYSA-N 2 2 348.310 2.124 10 0 EEAELP Cc1ccc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000617765833 469797517 /nfs/dbraw/zinc/79/75/17/469797517.db2.gz RUEYBPKLGHHVNN-UHFFFAOYSA-N 2 2 325.884 2.191 10 0 EEAELP Cc1ccc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000617765833 469797519 /nfs/dbraw/zinc/79/75/19/469797519.db2.gz RUEYBPKLGHHVNN-UHFFFAOYSA-N 2 2 325.884 2.191 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000627135032 469822089 /nfs/dbraw/zinc/82/20/89/469822089.db2.gz LWHSOXJNDRFGRQ-QGZVFWFLSA-N 2 2 338.411 2.432 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1CCc2ccccc2CC1 ZINC000628062237 470049814 /nfs/dbraw/zinc/04/98/14/470049814.db2.gz ZRXHRSPOCLFYMJ-UHFFFAOYSA-N 2 2 331.504 2.181 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1CCc2ccccc2CC1 ZINC000628062237 470049815 /nfs/dbraw/zinc/04/98/15/470049815.db2.gz ZRXHRSPOCLFYMJ-UHFFFAOYSA-N 2 2 331.504 2.181 10 0 EEAELP Cc1nc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)nc(N)[nH+]1 ZINC000631060267 470059671 /nfs/dbraw/zinc/05/96/71/470059671.db2.gz VPRWUXLNOUKXSY-CYBMUJFWSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)nc(N)[nH+]1 ZINC000631060267 470059674 /nfs/dbraw/zinc/05/96/74/470059674.db2.gz VPRWUXLNOUKXSY-CYBMUJFWSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)[nH+]1 ZINC000631060267 470059677 /nfs/dbraw/zinc/05/96/77/470059677.db2.gz VPRWUXLNOUKXSY-CYBMUJFWSA-N 2 2 326.448 2.171 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)[nH+]1 ZINC000631060267 470059680 /nfs/dbraw/zinc/05/96/80/470059680.db2.gz VPRWUXLNOUKXSY-CYBMUJFWSA-N 2 2 326.448 2.171 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccncc1Br ZINC000631062616 470061064 /nfs/dbraw/zinc/06/10/64/470061064.db2.gz XNZDENAKQNYDQB-ZDUSSCGKSA-N 2 2 328.254 2.045 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccncc1Br ZINC000631062616 470061065 /nfs/dbraw/zinc/06/10/65/470061065.db2.gz XNZDENAKQNYDQB-ZDUSSCGKSA-N 2 2 328.254 2.045 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000625215482 470096508 /nfs/dbraw/zinc/09/65/08/470096508.db2.gz DDFPPWOAYYVWLE-UHFFFAOYSA-N 2 2 332.370 2.321 10 0 EEAELP C[C@H]1C[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C[N@@H+]1Cc1ccccc1 ZINC000621911064 470127270 /nfs/dbraw/zinc/12/72/70/470127270.db2.gz ROHVMGKKNNQMAP-HOCLYGCPSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@H]1C[C@H](NC(=O)C(C)(C)c2c[nH]c[nH+]2)C[N@H+]1Cc1ccccc1 ZINC000621911064 470127272 /nfs/dbraw/zinc/12/72/72/470127272.db2.gz ROHVMGKKNNQMAP-HOCLYGCPSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@H]1C[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000621911064 470127274 /nfs/dbraw/zinc/12/72/74/470127274.db2.gz ROHVMGKKNNQMAP-HOCLYGCPSA-N 2 2 326.444 2.467 10 0 EEAELP C[C@H]1C[C@H](NC(=O)C(C)(C)c2c[nH+]c[nH]2)C[N@H+]1Cc1ccccc1 ZINC000621911064 470127276 /nfs/dbraw/zinc/12/72/76/470127276.db2.gz ROHVMGKKNNQMAP-HOCLYGCPSA-N 2 2 326.444 2.467 10 0 EEAELP Cn1c2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2oc1=O ZINC000631830292 470186137 /nfs/dbraw/zinc/18/61/37/470186137.db2.gz OJNWTXBVNCLPIJ-VXGBXAGGSA-N 2 2 343.349 2.091 10 0 EEAELP Cn1c2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2oc1=O ZINC000631830292 470186138 /nfs/dbraw/zinc/18/61/38/470186138.db2.gz OJNWTXBVNCLPIJ-VXGBXAGGSA-N 2 2 343.349 2.091 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631844058 470187395 /nfs/dbraw/zinc/18/73/95/470187395.db2.gz UWXCGPGWAAQXBA-OGWOLHLISA-N 2 2 343.496 2.480 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631844058 470187396 /nfs/dbraw/zinc/18/73/96/470187396.db2.gz UWXCGPGWAAQXBA-OGWOLHLISA-N 2 2 343.496 2.480 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886982 470189485 /nfs/dbraw/zinc/18/94/85/470189485.db2.gz NPCKFSLJRCFJMS-OALUTQOASA-N 2 2 329.488 2.498 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886982 470189486 /nfs/dbraw/zinc/18/94/86/470189486.db2.gz NPCKFSLJRCFJMS-OALUTQOASA-N 2 2 329.488 2.498 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCCCSc1ccccc1 ZINC000631886201 470189515 /nfs/dbraw/zinc/18/95/15/470189515.db2.gz HRIKIOIOMBVRMW-SJLPKXTDSA-N 2 2 347.528 2.359 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NCCCSc1ccccc1 ZINC000631886201 470189516 /nfs/dbraw/zinc/18/95/16/470189516.db2.gz HRIKIOIOMBVRMW-SJLPKXTDSA-N 2 2 347.528 2.359 10 0 EEAELP Clc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(-n2cncn2)c1 ZINC000631889634 470189683 /nfs/dbraw/zinc/18/96/83/470189683.db2.gz IKWBNDSTTFTVEZ-CJNGLKHVSA-N 2 2 331.851 2.495 10 0 EEAELP Clc1ccc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c(-n2cncn2)c1 ZINC000631889634 470189684 /nfs/dbraw/zinc/18/96/84/470189684.db2.gz IKWBNDSTTFTVEZ-CJNGLKHVSA-N 2 2 331.851 2.495 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647178879 470849377 /nfs/dbraw/zinc/84/93/77/470849377.db2.gz PEJJNWMSFJNNCQ-SFHVURJKSA-N 2 2 328.460 2.381 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647178879 470849378 /nfs/dbraw/zinc/84/93/78/470849378.db2.gz PEJJNWMSFJNNCQ-SFHVURJKSA-N 2 2 328.460 2.381 10 0 EEAELP COc1ncncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000647189873 470853315 /nfs/dbraw/zinc/85/33/15/470853315.db2.gz WENREZCCCPPUIU-QAPCUYQASA-N 2 2 326.444 2.485 10 0 EEAELP COc1ncncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000647189873 470853318 /nfs/dbraw/zinc/85/33/18/470853318.db2.gz WENREZCCCPPUIU-QAPCUYQASA-N 2 2 326.444 2.485 10 0 EEAELP CCOc1c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c(C)nn1CC(C)C ZINC000650714983 470948569 /nfs/dbraw/zinc/94/85/69/470948569.db2.gz KDWIRRMZXYKFDL-NVXWUHKLSA-N 2 2 338.496 2.042 10 0 EEAELP CCOc1c(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c(C)nn1CC(C)C ZINC000650714983 470948574 /nfs/dbraw/zinc/94/85/74/470948574.db2.gz KDWIRRMZXYKFDL-NVXWUHKLSA-N 2 2 338.496 2.042 10 0 EEAELP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000644548037 470980116 /nfs/dbraw/zinc/98/01/16/470980116.db2.gz MFUNQVCXALDPAY-NEPJUHHUSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@@H]([NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000644548037 470980119 /nfs/dbraw/zinc/98/01/19/470980119.db2.gz MFUNQVCXALDPAY-NEPJUHHUSA-N 2 2 333.259 2.417 10 0 EEAELP Cn1cc[nH+]c1[C@H](Cc1ccccc1)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000650868461 470988879 /nfs/dbraw/zinc/98/88/79/470988879.db2.gz ABLKPKZOYUTNBA-KRWDZBQOSA-N 2 2 341.459 2.097 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901448 471012563 /nfs/dbraw/zinc/01/25/63/471012563.db2.gz OXNJKXALMYWCFW-FUHWJXTLSA-N 2 2 336.501 2.314 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000647901448 471012567 /nfs/dbraw/zinc/01/25/67/471012567.db2.gz OXNJKXALMYWCFW-FUHWJXTLSA-N 2 2 336.501 2.314 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000650999181 471021763 /nfs/dbraw/zinc/02/17/63/471021763.db2.gz VUPGFSICJRATRJ-KRWDZBQOSA-N 2 2 326.444 2.181 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651633178 471064640 /nfs/dbraw/zinc/06/46/40/471064640.db2.gz GMJSFWSBGYXTFB-QGZVFWFLSA-N 2 2 328.460 2.430 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651633178 471064645 /nfs/dbraw/zinc/06/46/45/471064645.db2.gz GMJSFWSBGYXTFB-QGZVFWFLSA-N 2 2 328.460 2.430 10 0 EEAELP c1cc(CNc2ccc(N3CCOCC3)c[nH+]2)n(-c2cc[nH+]cc2)n1 ZINC000657320485 471097869 /nfs/dbraw/zinc/09/78/69/471097869.db2.gz UDEXTTDKMFJJFA-UHFFFAOYSA-N 2 2 336.399 2.111 10 0 EEAELP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000651818990 471132300 /nfs/dbraw/zinc/13/23/00/471132300.db2.gz MDUZWVXVZUZCQB-FQEVSTJZSA-N 2 2 342.487 2.426 10 0 EEAELP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000651818990 471132306 /nfs/dbraw/zinc/13/23/06/471132306.db2.gz MDUZWVXVZUZCQB-FQEVSTJZSA-N 2 2 342.487 2.426 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCCC3(F)F)C2)CC1 ZINC000648316159 471162318 /nfs/dbraw/zinc/16/23/18/471162318.db2.gz JCQJBAJWLFKRDE-UKRRQHHQSA-N 2 2 329.435 2.097 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H]3CCCCC3(F)F)C2)CC1 ZINC000648316159 471162323 /nfs/dbraw/zinc/16/23/23/471162323.db2.gz JCQJBAJWLFKRDE-UKRRQHHQSA-N 2 2 329.435 2.097 10 0 EEAELP COc1ccccc1-c1cc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)on1 ZINC000657821029 471237874 /nfs/dbraw/zinc/23/78/74/471237874.db2.gz YGJGKJQAYDEGPV-UHFFFAOYSA-N 2 2 341.415 2.440 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1ccc(F)cc1 ZINC000652122486 471239405 /nfs/dbraw/zinc/23/94/05/471239405.db2.gz YWPHRVXOEHIQCD-HNNXBMFYSA-N 2 2 345.422 2.077 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655240716 471289135 /nfs/dbraw/zinc/28/91/35/471289135.db2.gz CHWDMIFXKBPKIO-QXSJWSMHSA-N 2 2 336.480 2.011 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655240716 471289136 /nfs/dbraw/zinc/28/91/36/471289136.db2.gz CHWDMIFXKBPKIO-QXSJWSMHSA-N 2 2 336.480 2.011 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000658340030 471290415 /nfs/dbraw/zinc/29/04/15/471290415.db2.gz ALLFIIDCHXLYCJ-DFQSSKMNSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@]1(C)CCCO1 ZINC000658340030 471290416 /nfs/dbraw/zinc/29/04/16/471290416.db2.gz ALLFIIDCHXLYCJ-DFQSSKMNSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)o1 ZINC000663736750 471497269 /nfs/dbraw/zinc/49/72/69/471497269.db2.gz YQTWVKXICXPZRK-ZBFHGGJFSA-N 2 2 336.480 2.086 10 0 EEAELP C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)o1 ZINC000663736750 471497276 /nfs/dbraw/zinc/49/72/76/471497276.db2.gz YQTWVKXICXPZRK-ZBFHGGJFSA-N 2 2 336.480 2.086 10 0 EEAELP Cc1ccc(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)c(N2CCCC2)[nH+]1 ZINC000661007732 471585557 /nfs/dbraw/zinc/58/55/57/471585557.db2.gz BXTVBXNLZRLREL-AWEZNQCLSA-N 2 2 342.447 2.284 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000663959625 471589804 /nfs/dbraw/zinc/58/98/04/471589804.db2.gz NGXUOGBVMYMSRI-UHFFFAOYSA-N 2 2 349.401 2.365 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000663959625 471589807 /nfs/dbraw/zinc/58/98/07/471589807.db2.gz NGXUOGBVMYMSRI-UHFFFAOYSA-N 2 2 349.401 2.365 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000664058243 471624263 /nfs/dbraw/zinc/62/42/63/471624263.db2.gz YZUZMQXBZSDZHW-UHFFFAOYSA-N 2 2 335.496 2.218 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CCC(C)(O)CC2)nc[nH+]1 ZINC000664058243 471624269 /nfs/dbraw/zinc/62/42/69/471624269.db2.gz YZUZMQXBZSDZHW-UHFFFAOYSA-N 2 2 335.496 2.218 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000664058243 471624271 /nfs/dbraw/zinc/62/42/71/471624271.db2.gz YZUZMQXBZSDZHW-UHFFFAOYSA-N 2 2 335.496 2.218 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CCC(C)(O)CC2)[nH+]cn1 ZINC000664058243 471624277 /nfs/dbraw/zinc/62/42/77/471624277.db2.gz YZUZMQXBZSDZHW-UHFFFAOYSA-N 2 2 335.496 2.218 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000659441801 471630476 /nfs/dbraw/zinc/63/04/76/471630476.db2.gz AJBIDHXUTLCJML-OAHLLOKOSA-N 2 2 333.411 2.184 10 0 EEAELP C[C@H](NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667250052 471709488 /nfs/dbraw/zinc/70/94/88/471709488.db2.gz GRQCKGLVIVAOLY-DOTOQJQBSA-N 2 2 341.459 2.049 10 0 EEAELP C[C@H](NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667250052 471709493 /nfs/dbraw/zinc/70/94/93/471709493.db2.gz GRQCKGLVIVAOLY-DOTOQJQBSA-N 2 2 341.459 2.049 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000656494352 471733769 /nfs/dbraw/zinc/73/37/69/471733769.db2.gz HCGBFTXIYIDPMZ-UHFFFAOYSA-N 2 2 345.447 2.115 10 0 EEAELP Cc1cnc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)s1 ZINC000667655087 471857127 /nfs/dbraw/zinc/85/71/27/471857127.db2.gz VMUGKZCHSRRXCA-UHFFFAOYSA-N 2 2 340.456 2.354 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000660127858 471873451 /nfs/dbraw/zinc/87/34/51/471873451.db2.gz QGLQJWJBTSKXHV-JUJYPNOZSA-N 3 2 348.579 2.207 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000660127858 471873456 /nfs/dbraw/zinc/87/34/56/471873456.db2.gz QGLQJWJBTSKXHV-JUJYPNOZSA-N 3 2 348.579 2.207 10 0 EEAELP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000660127858 471873460 /nfs/dbraw/zinc/87/34/60/471873460.db2.gz QGLQJWJBTSKXHV-JUJYPNOZSA-N 3 2 348.579 2.207 10 0 EEAELP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000660127858 471873464 /nfs/dbraw/zinc/87/34/64/471873464.db2.gz QGLQJWJBTSKXHV-JUJYPNOZSA-N 3 2 348.579 2.207 10 0 EEAELP [NH3+]Cc1cccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c1 ZINC000667731460 471884197 /nfs/dbraw/zinc/88/41/97/471884197.db2.gz UPUXHCXXDIJQIS-UHFFFAOYSA-N 2 2 325.416 2.331 10 0 EEAELP COCCC[NH+]1CCC(NC(=O)Nc2c[nH+]c3c(C)cccn23)CC1 ZINC000667950177 471958827 /nfs/dbraw/zinc/95/88/27/471958827.db2.gz ZYGSMEONLNITGU-UHFFFAOYSA-N 2 2 345.447 2.265 10 0 EEAELP COc1ccc([C@H]([NH2+]C[C@H](OC)[C@@H]2CCOC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665234308 471975891 /nfs/dbraw/zinc/97/58/91/471975891.db2.gz ATOFLBZLRLQLJU-BVBHFADKSA-N 2 2 334.460 2.129 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665507216 472071169 /nfs/dbraw/zinc/07/11/69/472071169.db2.gz QPYZWXJTNUYIEJ-QGZVFWFLSA-N 2 2 338.455 2.427 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665507216 472071175 /nfs/dbraw/zinc/07/11/75/472071175.db2.gz QPYZWXJTNUYIEJ-QGZVFWFLSA-N 2 2 338.455 2.427 10 0 EEAELP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000668591737 472188040 /nfs/dbraw/zinc/18/80/40/472188040.db2.gz BBFWUUQSSQLKNS-CQSZACIVSA-N 2 2 342.443 2.484 10 0 EEAELP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000668591737 472188048 /nfs/dbraw/zinc/18/80/48/472188048.db2.gz BBFWUUQSSQLKNS-CQSZACIVSA-N 2 2 342.443 2.484 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000662797541 472255401 /nfs/dbraw/zinc/25/54/01/472255401.db2.gz LFUWPQHKCYVWNB-JYJNAYRXSA-N 2 2 337.414 2.214 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2[NH2+]CCC2(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000662797541 472255406 /nfs/dbraw/zinc/25/54/06/472255406.db2.gz LFUWPQHKCYVWNB-JYJNAYRXSA-N 2 2 337.414 2.214 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662798363 472256130 /nfs/dbraw/zinc/25/61/30/472256130.db2.gz PYBKHCRVVZOIFQ-BBRMVZONSA-N 2 2 341.377 2.237 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662798363 472256135 /nfs/dbraw/zinc/25/61/35/472256135.db2.gz PYBKHCRVVZOIFQ-BBRMVZONSA-N 2 2 341.377 2.237 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N(C)CC2C[NH+](C)C2)c1)[NH+]1CCOCC1 ZINC000666003726 472272618 /nfs/dbraw/zinc/27/26/18/472272618.db2.gz KPEQFSHEEQUPSH-HNNXBMFYSA-N 2 2 346.475 2.105 10 0 EEAELP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)o1 ZINC000168593160 485493413 /nfs/dbraw/zinc/49/34/13/485493413.db2.gz BDFQHMVIXFWXLP-LBPRGKRZSA-N 2 2 349.381 2.411 10 0 EEAELP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)o1 ZINC000168593160 485493418 /nfs/dbraw/zinc/49/34/18/485493418.db2.gz BDFQHMVIXFWXLP-LBPRGKRZSA-N 2 2 349.381 2.411 10 0 EEAELP Cc1ccc(CCC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000673741422 485515694 /nfs/dbraw/zinc/51/56/94/485515694.db2.gz YHSHVDPDXPORBC-KRWDZBQOSA-N 2 2 333.476 2.148 10 0 EEAELP Cc1ccc(CCC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000673741422 485515701 /nfs/dbraw/zinc/51/57/01/485515701.db2.gz YHSHVDPDXPORBC-KRWDZBQOSA-N 2 2 333.476 2.148 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc3[nH+]ccn3c2)C1 ZINC000673761535 485523654 /nfs/dbraw/zinc/52/36/54/485523654.db2.gz AWEYBFDGBATMHH-MRXNPFEDSA-N 2 2 345.447 2.299 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673864501 485558790 /nfs/dbraw/zinc/55/87/90/485558790.db2.gz MDWIFBBRCWWDJH-UHFFFAOYSA-N 2 2 339.403 2.374 10 0 EEAELP COc1c(C)[nH+]cnc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000656119276 485560806 /nfs/dbraw/zinc/56/08/06/485560806.db2.gz FIYMCQJNQKWOAN-UHFFFAOYSA-N 2 2 342.443 2.362 10 0 EEAELP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCC(c3ccccc3)=N1)C2 ZINC000660655246 485592268 /nfs/dbraw/zinc/59/22/68/485592268.db2.gz LCANAQYZRLDZGY-HXUWFJFHSA-N 2 2 340.471 2.041 10 0 EEAELP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)N1CCC(c3ccccc3)=N1)C2 ZINC000660655246 485592276 /nfs/dbraw/zinc/59/22/76/485592276.db2.gz LCANAQYZRLDZGY-HXUWFJFHSA-N 2 2 340.471 2.041 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)N1CCC(c3ccccc3)=N1)C2 ZINC000660655246 485592283 /nfs/dbraw/zinc/59/22/83/485592283.db2.gz LCANAQYZRLDZGY-HXUWFJFHSA-N 2 2 340.471 2.041 10 0 EEAELP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)N1CCC(c3ccccc3)=N1)C2 ZINC000660655246 485592287 /nfs/dbraw/zinc/59/22/87/485592287.db2.gz LCANAQYZRLDZGY-HXUWFJFHSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543838 485730675 /nfs/dbraw/zinc/73/06/75/485730675.db2.gz DQTKFQMKRFFIEK-GDZNZVCISA-N 2 2 344.459 2.092 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](c1cccs1)[NH+](C)C)CC2 ZINC000679842920 485824818 /nfs/dbraw/zinc/82/48/18/485824818.db2.gz HJRYENLJOVQCOB-CYBMUJFWSA-N 2 2 333.461 2.081 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000680389215 485958278 /nfs/dbraw/zinc/95/82/78/485958278.db2.gz RJRYJXSVIQTSNH-IPMKNSEASA-N 2 2 334.504 2.208 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000680389215 485958281 /nfs/dbraw/zinc/95/82/81/485958281.db2.gz RJRYJXSVIQTSNH-IPMKNSEASA-N 2 2 334.504 2.208 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000680389215 485958282 /nfs/dbraw/zinc/95/82/82/485958282.db2.gz RJRYJXSVIQTSNH-IPMKNSEASA-N 2 2 334.504 2.208 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000680389215 485958284 /nfs/dbraw/zinc/95/82/84/485958284.db2.gz RJRYJXSVIQTSNH-IPMKNSEASA-N 2 2 334.504 2.208 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnnn3C(C)(C)C)C2)[nH+]1 ZINC000680985819 486106960 /nfs/dbraw/zinc/10/69/60/486106960.db2.gz DFEICMVRRJOSKY-CQSZACIVSA-N 2 2 329.452 2.066 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnnn3C(C)(C)C)C2)[nH+]1 ZINC000680985819 486106966 /nfs/dbraw/zinc/10/69/66/486106966.db2.gz DFEICMVRRJOSKY-CQSZACIVSA-N 2 2 329.452 2.066 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCOC[C@@H]2C)CC1 ZINC000676715332 486290599 /nfs/dbraw/zinc/29/05/99/486290599.db2.gz UUXSZTOPQNSIEA-ZWKOTPCHSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCOC[C@@H]2C)CC1 ZINC000676715332 486290605 /nfs/dbraw/zinc/29/06/05/486290605.db2.gz UUXSZTOPQNSIEA-ZWKOTPCHSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccco1 ZINC000677362270 486422744 /nfs/dbraw/zinc/42/27/44/486422744.db2.gz VGVIHOIRQIHHKZ-PMRDEQMMSA-N 2 2 331.460 2.153 10 0 EEAELP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccco1 ZINC000677362270 486422745 /nfs/dbraw/zinc/42/27/45/486422745.db2.gz VGVIHOIRQIHHKZ-PMRDEQMMSA-N 2 2 331.460 2.153 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171898249 534679899 /nfs/dbraw/zinc/67/98/99/534679899.db2.gz LLUOETZGJGLGIW-MRXNPFEDSA-N 2 2 341.459 2.224 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171898249 534679905 /nfs/dbraw/zinc/67/99/05/534679905.db2.gz LLUOETZGJGLGIW-MRXNPFEDSA-N 2 2 341.459 2.224 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000266655412 535448444 /nfs/dbraw/zinc/44/84/44/535448444.db2.gz IIVLOVZHECYRAZ-UHFFFAOYSA-N 2 2 333.480 2.069 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000451260519 535956940 /nfs/dbraw/zinc/95/69/40/535956940.db2.gz DLUAXTNCARACJP-HSALFYBXSA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000451260519 535956942 /nfs/dbraw/zinc/95/69/42/535956942.db2.gz DLUAXTNCARACJP-HSALFYBXSA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451260519 535956944 /nfs/dbraw/zinc/95/69/44/535956944.db2.gz DLUAXTNCARACJP-HSALFYBXSA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000451260519 535956946 /nfs/dbraw/zinc/95/69/46/535956946.db2.gz DLUAXTNCARACJP-HSALFYBXSA-N 2 2 332.488 2.370 10 0 EEAELP COC(=O)/C(C)=C/C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750045694 577986205 /nfs/dbraw/zinc/98/62/05/577986205.db2.gz NIKKGZUZMHKAFD-FRKPEAEDSA-N 2 2 331.460 2.140 10 0 EEAELP COC(=O)/C(C)=C/C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750045694 577986206 /nfs/dbraw/zinc/98/62/06/577986206.db2.gz NIKKGZUZMHKAFD-FRKPEAEDSA-N 2 2 331.460 2.140 10 0 EEAELP C[NH2+]Cc1cccc(NC(=O)NCc2nc(C[NH+](C)C)cs2)c1 ZINC000926156892 676587035 /nfs/dbraw/zinc/58/70/35/676587035.db2.gz XWIRQNRNDZOZSQ-UHFFFAOYSA-N 2 2 333.461 2.246 10 0 EEAELP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)n2cc[nH+]c2)cc1 ZINC000898910859 693524018 /nfs/dbraw/zinc/52/40/18/693524018.db2.gz ZERNIYCMWGFAKA-KRWDZBQOSA-N 2 2 344.459 2.482 10 0 EEAELP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001485509606 1191820050 /nfs/dbraw/zinc/82/00/50/1191820050.db2.gz CYYHRVUWGOKAPB-CGFBPQRUSA-N 2 2 330.476 2.238 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]21 ZINC001485623157 1191866680 /nfs/dbraw/zinc/86/66/80/1191866680.db2.gz HVUKMFZQTVHGRW-NNZMDNLPSA-N 2 2 338.455 2.063 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]21 ZINC001485623157 1191866682 /nfs/dbraw/zinc/86/66/82/1191866682.db2.gz HVUKMFZQTVHGRW-NNZMDNLPSA-N 2 2 338.455 2.063 10 0 EEAELP CCCCCC[NH2+][C@@H](C)[C@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CCO1 ZINC001485649720 1191869901 /nfs/dbraw/zinc/86/99/01/1191869901.db2.gz QSPRGIISHSJPKV-DOTOQJQBSA-N 2 2 336.480 2.046 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001485702171 1191905512 /nfs/dbraw/zinc/90/55/12/1191905512.db2.gz KEIBGSQCPRPTKS-WFTLJUQPSA-N 2 2 338.455 2.160 10 0 EEAELP C[C@H](CCC[NH2+]C/C(Cl)=C\Cl)NC(=O)Cc1c[nH+]cn1C ZINC001485745458 1191929076 /nfs/dbraw/zinc/92/90/76/1191929076.db2.gz UWLRMXOLLIRLTB-LAPSENCUSA-N 2 2 333.263 2.156 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001266355677 1176387791 /nfs/dbraw/zinc/38/77/91/1176387791.db2.gz MFCHJQLMFQNYLO-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001266355677 1176387799 /nfs/dbraw/zinc/38/77/99/1176387799.db2.gz MFCHJQLMFQNYLO-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP COCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001266469163 1176595419 /nfs/dbraw/zinc/59/54/19/1176595419.db2.gz GEXONXORTSISHY-IAGOWNOFSA-N 2 2 336.480 2.041 10 0 EEAELP COCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001266469163 1176595427 /nfs/dbraw/zinc/59/54/27/1176595427.db2.gz GEXONXORTSISHY-IAGOWNOFSA-N 2 2 336.480 2.041 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001670491525 1176830678 /nfs/dbraw/zinc/83/06/78/1176830678.db2.gz ZNKHZVLYJGICER-YRLOJYSSSA-N 2 2 330.476 2.286 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001671345941 1176928035 /nfs/dbraw/zinc/92/80/35/1176928035.db2.gz BEALCZSIXMDRIN-HDNKPZPWSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691086645 1177553582 /nfs/dbraw/zinc/55/35/82/1177553582.db2.gz VQNSTEGGGLZFOT-OPCNFVSTSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691086645 1177553588 /nfs/dbraw/zinc/55/35/88/1177553588.db2.gz VQNSTEGGGLZFOT-OPCNFVSTSA-N 2 2 330.476 2.382 10 0 EEAELP CCc1ccc(C[NH2+]CCN(C)C(=O)Cc2c[nH+]ccc2OC)cc1 ZINC001691360387 1177970039 /nfs/dbraw/zinc/97/00/39/1177970039.db2.gz XHMFXCGOZGJDMI-UHFFFAOYSA-N 2 2 341.455 2.443 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H]([NH2+]CCCc2ccccc2)C1 ZINC001267024587 1178110492 /nfs/dbraw/zinc/11/04/92/1178110492.db2.gz ILHWDJPBBYHSIJ-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001267065582 1178178156 /nfs/dbraw/zinc/17/81/56/1178178156.db2.gz WQEHGAUGXDKRFR-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267385709 1178945446 /nfs/dbraw/zinc/94/54/46/1178945446.db2.gz DRDLAOUXZURZLX-VXGBXAGGSA-N 2 2 338.864 2.476 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)cs1 ZINC001481066429 1179668742 /nfs/dbraw/zinc/66/87/42/1179668742.db2.gz UPCBVQZVSRCWCQ-MRXNPFEDSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)cs1 ZINC001481066429 1179668745 /nfs/dbraw/zinc/66/87/45/1179668745.db2.gz UPCBVQZVSRCWCQ-MRXNPFEDSA-N 2 2 338.521 2.264 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001267618587 1179963543 /nfs/dbraw/zinc/96/35/43/1179963543.db2.gz RJGNUZDOFRGYQB-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001267618587 1179963552 /nfs/dbraw/zinc/96/35/52/1179963552.db2.gz RJGNUZDOFRGYQB-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267749744 1180402985 /nfs/dbraw/zinc/40/29/85/1180402985.db2.gz SONIGJKEVVBHDM-AQGROHODSA-N 2 2 330.476 2.461 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267749744 1180402988 /nfs/dbraw/zinc/40/29/88/1180402988.db2.gz SONIGJKEVVBHDM-AQGROHODSA-N 2 2 330.476 2.461 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c(C)o1 ZINC001267777412 1180509204 /nfs/dbraw/zinc/50/92/04/1180509204.db2.gz QWSXWOAMUIFYPP-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c(C)o1 ZINC001267777412 1180509208 /nfs/dbraw/zinc/50/92/08/1180509208.db2.gz QWSXWOAMUIFYPP-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP Cc1ccncc1C[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001481356585 1181111393 /nfs/dbraw/zinc/11/13/93/1181111393.db2.gz FFEFPMULTMVVJZ-UHFFFAOYSA-N 2 2 343.475 2.083 10 0 EEAELP Cc1ccncc1C[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001481356585 1181111396 /nfs/dbraw/zinc/11/13/96/1181111396.db2.gz FFEFPMULTMVVJZ-UHFFFAOYSA-N 2 2 343.475 2.083 10 0 EEAELP CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001481400503 1181216062 /nfs/dbraw/zinc/21/60/62/1181216062.db2.gz HGVCOODKXFEBCT-JKSUJKDBSA-N 2 2 336.455 2.118 10 0 EEAELP CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CC[N@@H+](CCCF)C1 ZINC001481400503 1181216067 /nfs/dbraw/zinc/21/60/67/1181216067.db2.gz HGVCOODKXFEBCT-JKSUJKDBSA-N 2 2 336.455 2.118 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001268065891 1181656449 /nfs/dbraw/zinc/65/64/49/1181656449.db2.gz ILQGKNSMQPJWRL-MRXNPFEDSA-N 2 2 328.460 2.330 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)N(C)C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001268065891 1181656454 /nfs/dbraw/zinc/65/64/54/1181656454.db2.gz ILQGKNSMQPJWRL-MRXNPFEDSA-N 2 2 328.460 2.330 10 0 EEAELP C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268377162 1182392481 /nfs/dbraw/zinc/39/24/81/1182392481.db2.gz HJHUSDUAIOIAKO-NWDGAFQWSA-N 2 2 345.274 2.249 10 0 EEAELP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001268458207 1182734595 /nfs/dbraw/zinc/73/45/95/1182734595.db2.gz HBJBQZGZPAVXCQ-UHFFFAOYSA-N 2 2 342.434 2.410 10 0 EEAELP CCN(CC[NH2+]Cc1c(C)cccc1C)C(=O)Cc1c[nH+]cn1C ZINC001268493051 1182990978 /nfs/dbraw/zinc/99/09/78/1182990978.db2.gz QKBIUYWMKDMIPQ-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](C)NC(=O)c2cccc3[nH+]ccn32)s1 ZINC001268694777 1183620996 /nfs/dbraw/zinc/62/09/96/1183620996.db2.gz JFHGIPFSPGDHJW-NSHDSACASA-N 2 2 329.429 2.007 10 0 EEAELP C[C@@H](C[NH2+]CC1CC(C)C1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001482288362 1185089573 /nfs/dbraw/zinc/08/95/73/1185089573.db2.gz KOWVYWCXOGDNLE-PCKAHOCUSA-N 2 2 332.492 2.245 10 0 EEAELP C[C@@]1(C[NH2+]Cc2ccnc(Cl)c2)CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001270814505 1185416290 /nfs/dbraw/zinc/41/62/90/1185416290.db2.gz OXIFGKMXHGHLFN-KRWDZBQOSA-N 2 2 347.850 2.029 10 0 EEAELP CCCC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001271846815 1186549630 /nfs/dbraw/zinc/54/96/30/1186549630.db2.gz UIYSQKYAVDQAPS-IRXDYDNUSA-N 2 2 335.496 2.321 10 0 EEAELP CCCC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001271846815 1186549640 /nfs/dbraw/zinc/54/96/40/1186549640.db2.gz UIYSQKYAVDQAPS-IRXDYDNUSA-N 2 2 335.496 2.321 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001271891118 1186585181 /nfs/dbraw/zinc/58/51/81/1186585181.db2.gz FYVKHXOCKSUKGG-AXHPFZFWSA-N 2 2 330.476 2.434 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C[C@H]2C1 ZINC001271891118 1186585183 /nfs/dbraw/zinc/58/51/83/1186585183.db2.gz FYVKHXOCKSUKGG-AXHPFZFWSA-N 2 2 330.476 2.434 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)co1 ZINC001482847968 1187767091 /nfs/dbraw/zinc/76/70/91/1187767091.db2.gz VERZCUAZNOEJQV-LLVKDONJSA-N 2 2 327.388 2.158 10 0 EEAELP COCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001670932980 1193529114 /nfs/dbraw/zinc/52/91/14/1193529114.db2.gz NFKKUMLUMCRSST-ALOPSCKCSA-N 2 2 348.491 2.075 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001483079813 1188441087 /nfs/dbraw/zinc/44/10/87/1188441087.db2.gz ZEVMPJKWLGVQQX-STOZHHMFSA-N 2 2 328.391 2.041 10 0 EEAELP C[C@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CCc1ccccc1 ZINC001409390639 1189612312 /nfs/dbraw/zinc/61/23/12/1189612312.db2.gz USHRJNMFXFXPNL-HOTGVXAUSA-N 2 2 328.460 2.078 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001485893015 1193632088 /nfs/dbraw/zinc/63/20/88/1193632088.db2.gz SDFIKYZOICGICX-GFCCVEGCSA-N 2 2 342.434 2.408 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)s1 ZINC001485929403 1193649043 /nfs/dbraw/zinc/64/90/43/1193649043.db2.gz WPMBBGWCVOJTFQ-QWHCGFSZSA-N 2 2 335.477 2.236 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001409571480 1190051682 /nfs/dbraw/zinc/05/16/82/1190051682.db2.gz IMYKMVFOVKQBFR-GFCCVEGCSA-N 2 2 341.402 2.115 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001409571480 1190051686 /nfs/dbraw/zinc/05/16/86/1190051686.db2.gz IMYKMVFOVKQBFR-GFCCVEGCSA-N 2 2 341.402 2.115 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483237664 1190176837 /nfs/dbraw/zinc/17/68/37/1190176837.db2.gz UKTABZSZNLNIAP-IAOVAPTHSA-N 2 2 326.444 2.370 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483237664 1190176841 /nfs/dbraw/zinc/17/68/41/1190176841.db2.gz UKTABZSZNLNIAP-IAOVAPTHSA-N 2 2 326.444 2.370 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@H]1CCc2ccccc2C1 ZINC001409694778 1190204188 /nfs/dbraw/zinc/20/41/88/1190204188.db2.gz QCPCMZRPHSBUMK-IRXDYDNUSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCc2ccccc2C1 ZINC001409694778 1190204193 /nfs/dbraw/zinc/20/41/93/1190204193.db2.gz QCPCMZRPHSBUMK-IRXDYDNUSA-N 2 2 340.471 2.125 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@@H](C)C[NH2+]CC3CCCC3)[nH+]c12 ZINC001483274955 1190297687 /nfs/dbraw/zinc/29/76/87/1190297687.db2.gz RJEWXYVEOPACSG-HNNXBMFYSA-N 2 2 328.460 2.470 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2ccc(F)cc21)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494109 1190511400 /nfs/dbraw/zinc/51/14/00/1190511400.db2.gz CFYFRVQPDUZKNL-QGZVFWFLSA-N 2 2 330.407 2.217 10 0 EEAELP CC/C=C\CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001483876517 1191104391 /nfs/dbraw/zinc/10/43/91/1191104391.db2.gz WNQPCIJHMFDSEI-KJPDOMRESA-N 2 2 330.476 2.253 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001483947522 1191127094 /nfs/dbraw/zinc/12/70/94/1191127094.db2.gz SGQXFZTYHHQUEP-WCQYABFASA-N 2 2 332.370 2.121 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001483947522 1191127095 /nfs/dbraw/zinc/12/70/95/1191127095.db2.gz SGQXFZTYHHQUEP-WCQYABFASA-N 2 2 332.370 2.121 10 0 EEAELP Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CCC2)o1 ZINC001484660345 1191461478 /nfs/dbraw/zinc/46/14/78/1191461478.db2.gz GOSUDAXUMCWVNW-HZPDHXFCSA-N 2 2 348.491 2.232 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCCc2ccccc2)CCC1 ZINC001484664737 1191463618 /nfs/dbraw/zinc/46/36/18/1191463618.db2.gz REEOWUDMVFTPBK-UHFFFAOYSA-N 2 2 326.444 2.144 10 0 EEAELP CC(C)(C)CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCO1 ZINC001484681220 1191465050 /nfs/dbraw/zinc/46/50/50/1191465050.db2.gz UYBQVQUEYXCGSU-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)(C)CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCO1 ZINC001484681220 1191465052 /nfs/dbraw/zinc/46/50/52/1191465052.db2.gz UYBQVQUEYXCGSU-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001484718042 1191481680 /nfs/dbraw/zinc/48/16/80/1191481680.db2.gz LZJUZLCINXQCCI-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP CCOCCC[N@H+]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001484718042 1191481681 /nfs/dbraw/zinc/48/16/81/1191481681.db2.gz LZJUZLCINXQCCI-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485055772 1191628454 /nfs/dbraw/zinc/62/84/54/1191628454.db2.gz MFLGNNLHZWMGBW-QGZVFWFLSA-N 2 2 332.492 2.485 10 0 EEAELP CCCC[N@@H+](C)C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001485055772 1191628455 /nfs/dbraw/zinc/62/84/55/1191628455.db2.gz MFLGNNLHZWMGBW-QGZVFWFLSA-N 2 2 332.492 2.485 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001485256167 1191713322 /nfs/dbraw/zinc/71/33/22/1191713322.db2.gz YALNGXSLKMQIGC-MRXNPFEDSA-N 2 2 332.492 2.320 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001485315821 1191731643 /nfs/dbraw/zinc/73/16/43/1191731643.db2.gz MIOOJGXKHZIDJE-AWEZNQCLSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001485315821 1191731644 /nfs/dbraw/zinc/73/16/44/1191731644.db2.gz MIOOJGXKHZIDJE-AWEZNQCLSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001485315821 1191731646 /nfs/dbraw/zinc/73/16/46/1191731646.db2.gz MIOOJGXKHZIDJE-AWEZNQCLSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001485315821 1191731648 /nfs/dbraw/zinc/73/16/48/1191731648.db2.gz MIOOJGXKHZIDJE-AWEZNQCLSA-N 2 2 339.443 2.460 10 0 EEAELP COc1cccc(C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001485355999 1191760918 /nfs/dbraw/zinc/76/09/18/1191760918.db2.gz KOGACHGJBRZVAE-HZPDHXFCSA-N 2 2 344.459 2.480 10 0 EEAELP COc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001485355999 1191760919 /nfs/dbraw/zinc/76/09/19/1191760919.db2.gz KOGACHGJBRZVAE-HZPDHXFCSA-N 2 2 344.459 2.480 10 0 EEAELP Cc1ccccc1CCC[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485395722 1191772599 /nfs/dbraw/zinc/77/25/99/1191772599.db2.gz PAIULUAUDFUPTF-QGZVFWFLSA-N 2 2 328.460 2.261 10 0 EEAELP Cc1ccccc1CCC[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485395722 1191772600 /nfs/dbraw/zinc/77/26/00/1191772600.db2.gz PAIULUAUDFUPTF-QGZVFWFLSA-N 2 2 328.460 2.261 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001486413348 1193922563 /nfs/dbraw/zinc/92/25/63/1193922563.db2.gz FXGVEWMXJOVDSP-JKSUJKDBSA-N 2 2 336.480 2.032 10 0 EEAELP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2ccon2)CC1)[NH+](CC)CC ZINC001486515075 1194034373 /nfs/dbraw/zinc/03/43/73/1194034373.db2.gz ATFIEAGSNYNDPD-QGZVFWFLSA-N 2 2 334.464 2.043 10 0 EEAELP CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2ccon2)CC1)[NH+](CC)CC ZINC001486515075 1194034376 /nfs/dbraw/zinc/03/43/76/1194034376.db2.gz ATFIEAGSNYNDPD-QGZVFWFLSA-N 2 2 334.464 2.043 10 0 EEAELP C[C@@H](CC[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273044283 1194349070 /nfs/dbraw/zinc/34/90/70/1194349070.db2.gz KSJXBCDSCNPRJJ-QWHCGFSZSA-N 2 2 328.407 2.262 10 0 EEAELP [NH3+]C[C@@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)C[C@H]1C(F)(F)F ZINC000872147357 1198054934 /nfs/dbraw/zinc/05/49/34/1198054934.db2.gz IBLSOKYUCOOLBP-VXGBXAGGSA-N 2 2 342.365 2.201 10 0 EEAELP [NH3+]C[C@@H]1C[N@@H+](CCCn2c3ccccc3[nH]c2=O)C[C@H]1C(F)(F)F ZINC000872147357 1198054942 /nfs/dbraw/zinc/05/49/42/1198054942.db2.gz IBLSOKYUCOOLBP-VXGBXAGGSA-N 2 2 342.365 2.201 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](O)CC(C)(C)O)c(C)c1 ZINC000872204763 1198084658 /nfs/dbraw/zinc/08/46/58/1198084658.db2.gz DWKUISMUMZRBFC-WMZOPIPTSA-N 2 2 331.460 2.353 10 0 EEAELP C[C@@H](CC(=O)N1CCO[C@@H](C[NH2+]CCCC2CCC2)C1)n1cc[nH+]c1 ZINC001273324216 1198175180 /nfs/dbraw/zinc/17/51/80/1198175180.db2.gz XVXUFKZXDPMRQW-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H](C)c1c(F)cccc1F ZINC001493009361 1198367284 /nfs/dbraw/zinc/36/72/84/1198367284.db2.gz NCRLFPIBPLTQSB-ZDUSSCGKSA-N 2 2 327.419 2.416 10 0 EEAELP CC[N@@H+](CCNC(=O)CC[NH+](C)C)[C@@H](C)c1c(F)cccc1F ZINC001493009361 1198367290 /nfs/dbraw/zinc/36/72/90/1198367290.db2.gz NCRLFPIBPLTQSB-ZDUSSCGKSA-N 2 2 327.419 2.416 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C)s1 ZINC001411212262 1198921333 /nfs/dbraw/zinc/92/13/33/1198921333.db2.gz APJHKKMVKMVGOA-HNNXBMFYSA-N 2 2 349.504 2.048 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]Cc1ccncc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001411213692 1198923261 /nfs/dbraw/zinc/92/32/61/1198923261.db2.gz GBIBNMAATNAGLG-HNNXBMFYSA-N 2 2 349.866 2.252 10 0 EEAELP C[C@@H](CCc1cccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000866360091 1201499968 /nfs/dbraw/zinc/49/99/68/1201499968.db2.gz XEQZHSZGXSEMAS-UXDRXVOSSA-N 2 2 344.503 2.076 10 0 EEAELP C[C@@H](CCc1cccnc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000866360091 1201499969 /nfs/dbraw/zinc/49/99/69/1201499969.db2.gz XEQZHSZGXSEMAS-UXDRXVOSSA-N 2 2 344.503 2.076 10 0 EEAELP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cscc3Cl)cn2)CC1 ZINC000886198891 1202480096 /nfs/dbraw/zinc/48/00/96/1202480096.db2.gz CNDGJOAENQOELH-UHFFFAOYSA-N 2 2 337.880 2.233 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1cc2ccccc2o1 ZINC001275501112 1205386949 /nfs/dbraw/zinc/38/69/49/1205386949.db2.gz ADLPKKPXLCHGNH-CHWSQXEVSA-N 2 2 326.400 2.381 10 0 EEAELP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001412129638 1205652536 /nfs/dbraw/zinc/65/25/36/1205652536.db2.gz XWMBLENXMJSMBP-LPHOPBHVSA-N 2 2 345.487 2.212 10 0 EEAELP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001412129638 1205652538 /nfs/dbraw/zinc/65/25/38/1205652538.db2.gz XWMBLENXMJSMBP-LPHOPBHVSA-N 2 2 345.487 2.212 10 0 EEAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000924642827 1206009526 /nfs/dbraw/zinc/00/95/26/1206009526.db2.gz LXXCVLCLNAANGX-HSALFYBXSA-N 2 2 332.488 2.056 10 0 EEAELP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000924642827 1206009528 /nfs/dbraw/zinc/00/95/28/1206009528.db2.gz LXXCVLCLNAANGX-HSALFYBXSA-N 2 2 332.488 2.056 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000924900517 1206048701 /nfs/dbraw/zinc/04/87/01/1206048701.db2.gz CNTKGSNTXTYLOA-IRXDYDNUSA-N 2 2 337.508 2.011 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000924900517 1206048703 /nfs/dbraw/zinc/04/87/03/1206048703.db2.gz CNTKGSNTXTYLOA-IRXDYDNUSA-N 2 2 337.508 2.011 10 0 EEAELP C[C@@H]([NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000925792197 1206154439 /nfs/dbraw/zinc/15/44/39/1206154439.db2.gz DXJZXPIECTWWDI-PBHICJAKSA-N 2 2 343.471 2.381 10 0 EEAELP C[C@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)OCCO2 ZINC000925792774 1206154505 /nfs/dbraw/zinc/15/45/05/1206154505.db2.gz HAGXXZBLWOHGRR-GOEBONIOSA-N 2 2 332.444 2.267 10 0 EEAELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602676 1206569832 /nfs/dbraw/zinc/56/98/32/1206569832.db2.gz WUMHYEYQXBBHEC-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602676 1206569833 /nfs/dbraw/zinc/56/98/33/1206569833.db2.gz WUMHYEYQXBBHEC-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602676 1206569834 /nfs/dbraw/zinc/56/98/34/1206569834.db2.gz WUMHYEYQXBBHEC-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)C2 ZINC000930602676 1206569835 /nfs/dbraw/zinc/56/98/35/1206569835.db2.gz WUMHYEYQXBBHEC-NEPJUHHUSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1C[C@@]2(C)C[NH+](CCOCC(F)(F)C(F)(F)F)C[C@]2(C)C1 ZINC000931313894 1206623987 /nfs/dbraw/zinc/62/39/87/1206623987.db2.gz IALHDVCPIXYCSF-RYUDHWBXSA-N 2 2 330.341 2.474 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)CCc2c[nH+]cn2C)c(C)n1 ZINC001276358612 1213922803 /nfs/dbraw/zinc/92/28/03/1213922803.db2.gz CHVCNNCHHJWRHD-UHFFFAOYSA-N 2 2 343.475 2.003 10 0 EEAELP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000956947843 1214687630 /nfs/dbraw/zinc/68/76/30/1214687630.db2.gz KSXJCDYMCVXJOF-KRWDZBQOSA-N 2 2 332.448 2.120 10 0 EEAELP Cc1cc(C)c(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000900692201 1234667467 /nfs/dbraw/zinc/66/74/67/1234667467.db2.gz GQQPZIJWJJBDCN-UHFFFAOYSA-N 2 2 337.533 2.392 10 0 EEAELP Cc1cc(C)c(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000900692201 1234667468 /nfs/dbraw/zinc/66/74/68/1234667468.db2.gz GQQPZIJWJJBDCN-UHFFFAOYSA-N 2 2 337.533 2.392 10 0 EEAELP C/C(=C/C(=O)Nc1ccc(C[NH+](C)C)c(F)c1)C[NH+]1CCOCC1 ZINC000900952457 1235037611 /nfs/dbraw/zinc/03/76/11/1235037611.db2.gz RLFXOOPYCFYWJY-UVTDQMKNSA-N 2 2 335.423 2.104 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902927676 1239109135 /nfs/dbraw/zinc/10/91/35/1239109135.db2.gz RYOAZWNGGFAMDI-QAPCUYQASA-N 2 2 343.427 2.445 10 0 EEAELP COCC[N@@H+]1CC[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000383079914 1241368694 /nfs/dbraw/zinc/36/86/94/1241368694.db2.gz SVVQHIZQNVLLKZ-VQTJNVASSA-N 2 2 331.504 2.209 10 0 EEAELP COCC[N@H+]1CC[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000383079914 1241368710 /nfs/dbraw/zinc/36/87/10/1241368710.db2.gz SVVQHIZQNVLLKZ-VQTJNVASSA-N 2 2 331.504 2.209 10 0 EEAELP COCC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000383079914 1241368722 /nfs/dbraw/zinc/36/87/22/1241368722.db2.gz SVVQHIZQNVLLKZ-VQTJNVASSA-N 2 2 331.504 2.209 10 0 EEAELP COCC[NH+]1CC[C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000383079914 1241368735 /nfs/dbraw/zinc/36/87/35/1241368735.db2.gz SVVQHIZQNVLLKZ-VQTJNVASSA-N 2 2 331.504 2.209 10 0 EEAELP CCOC(=O)c1csc(CC2CC[NH+](CC(C)(C)[NH3+])CC2)n1 ZINC000903937289 1242584837 /nfs/dbraw/zinc/58/48/37/1242584837.db2.gz HDVQEHWXFBBISC-UHFFFAOYSA-N 2 2 325.478 2.312 10 0 EEAELP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903973112 1242807687 /nfs/dbraw/zinc/80/76/87/1242807687.db2.gz OORBQDOYXUSNRB-HNNXBMFYSA-N 2 2 344.434 2.464 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001491542388 1245642332 /nfs/dbraw/zinc/64/23/32/1245642332.db2.gz HDCAWGACDWDTSG-DLBZAZTESA-N 2 2 340.471 2.173 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001491063257 1258632330 /nfs/dbraw/zinc/63/23/30/1258632330.db2.gz MYUQFMKXINXYCP-CWRNSKLLSA-N 2 2 344.434 2.207 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001491063257 1258632338 /nfs/dbraw/zinc/63/23/38/1258632338.db2.gz MYUQFMKXINXYCP-CWRNSKLLSA-N 2 2 344.434 2.207 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cccc(Cl)c1 ZINC001491507683 1259158727 /nfs/dbraw/zinc/15/87/27/1259158727.db2.gz KUEAKVDNEPFVED-DZGCQCFKSA-N 2 2 346.862 2.393 10 0 EEAELP CCC/C=C/CC[NH+]1CC2(C1)CN(C(=O)C1([NH+](C)C)CCC1)CCO2 ZINC001273624219 1281585973 /nfs/dbraw/zinc/58/59/73/1281585973.db2.gz QOTOROKWUDMQMI-VOTSOKGWSA-N 2 2 349.519 2.130 10 0 EEAELP CCO[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C[NH+](C)C ZINC000926967125 1296973742 /nfs/dbraw/zinc/97/37/42/1296973742.db2.gz ZZMLURNYJGZCDJ-YJBOKZPZSA-N 2 2 333.476 2.431 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@H]2CN(C)C(=O)CCC[NH+]2CCCCC2)o1 ZINC001488694754 1290138457 /nfs/dbraw/zinc/13/84/57/1290138457.db2.gz WGNUXAIZDGOIFA-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@H]2CN(C)C(=O)CCC[NH+]2CCCCC2)o1 ZINC001488694754 1290138461 /nfs/dbraw/zinc/13/84/61/1290138461.db2.gz WGNUXAIZDGOIFA-KRWDZBQOSA-N 2 2 348.491 2.282 10 0 EEAELP O=C(NCCC[N@H+](CCC1CC1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001490378228 1291262394 /nfs/dbraw/zinc/26/23/94/1291262394.db2.gz WZOKHLNWRQAICM-INIZCTEOSA-N 2 2 330.476 2.216 10 0 EEAELP O=C(NCCC[N@@H+](CCC1CC1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001490378228 1291262398 /nfs/dbraw/zinc/26/23/98/1291262398.db2.gz WZOKHLNWRQAICM-INIZCTEOSA-N 2 2 330.476 2.216 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760372 1292189491 /nfs/dbraw/zinc/18/94/91/1292189491.db2.gz DPBTXKOIYIUVSH-IAGOWNOFSA-N 2 2 326.868 2.416 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760372 1292189496 /nfs/dbraw/zinc/18/94/96/1292189496.db2.gz DPBTXKOIYIUVSH-IAGOWNOFSA-N 2 2 326.868 2.416 10 0 EEAELP COc1ccccc1/C(C)=C/C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000855416981 1293210338 /nfs/dbraw/zinc/21/03/38/1293210338.db2.gz SEPNQBFUPQYAII-FOCLMDBBSA-N 2 2 333.476 2.098 10 0 EEAELP COc1ccccc1/C(C)=C/C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000855416981 1293210344 /nfs/dbraw/zinc/21/03/44/1293210344.db2.gz SEPNQBFUPQYAII-FOCLMDBBSA-N 2 2 333.476 2.098 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000856585969 1293571069 /nfs/dbraw/zinc/57/10/69/1293571069.db2.gz NZORLYGLTBMPIU-IBGZPJMESA-N 3 2 343.475 2.273 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000856585969 1293571070 /nfs/dbraw/zinc/57/10/70/1293571070.db2.gz NZORLYGLTBMPIU-IBGZPJMESA-N 3 2 343.475 2.273 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000856585969 1293571075 /nfs/dbraw/zinc/57/10/75/1293571075.db2.gz NZORLYGLTBMPIU-IBGZPJMESA-N 3 2 343.475 2.273 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCCn3cc[nH+]c3)C2)ccn1 ZINC000856585969 1293571080 /nfs/dbraw/zinc/57/10/80/1293571080.db2.gz NZORLYGLTBMPIU-IBGZPJMESA-N 3 2 343.475 2.273 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nccc(C)n3)C2)ccn1 ZINC000856586434 1293571500 /nfs/dbraw/zinc/57/15/00/1293571500.db2.gz QPPFXWZCIOKGSU-GOSISDBHSA-N 2 2 341.459 2.285 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nccc(C)n3)C2)ccn1 ZINC000856586434 1293571508 /nfs/dbraw/zinc/57/15/08/1293571508.db2.gz QPPFXWZCIOKGSU-GOSISDBHSA-N 2 2 341.459 2.285 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nccc(C)n3)C2)ccn1 ZINC000856586434 1293571515 /nfs/dbraw/zinc/57/15/15/1293571515.db2.gz QPPFXWZCIOKGSU-GOSISDBHSA-N 2 2 341.459 2.285 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nccc(C)n3)C2)ccn1 ZINC000856586434 1293571517 /nfs/dbraw/zinc/57/15/17/1293571517.db2.gz QPPFXWZCIOKGSU-GOSISDBHSA-N 2 2 341.459 2.285 10 0 EEAELP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCc3c[nH]nc32)c2cccs2)CC1 ZINC000857845451 1293928247 /nfs/dbraw/zinc/92/82/47/1293928247.db2.gz JQLOILDEPJJFDF-HOTGVXAUSA-N 2 2 345.516 2.427 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013470 1293987521 /nfs/dbraw/zinc/98/75/21/1293987521.db2.gz CWHTVTAFXNRVIV-OALUTQOASA-N 2 2 345.487 2.259 10 0 EEAELP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013470 1293987524 /nfs/dbraw/zinc/98/75/24/1293987524.db2.gz CWHTVTAFXNRVIV-OALUTQOASA-N 2 2 345.487 2.259 10 0 EEAELP CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000861349161 1295355637 /nfs/dbraw/zinc/35/56/37/1295355637.db2.gz IBEXLLQVWWZIHU-CMKODMSKSA-N 2 2 346.471 2.303 10 0 EEAELP CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000861349161 1295355651 /nfs/dbraw/zinc/35/56/51/1295355651.db2.gz IBEXLLQVWWZIHU-CMKODMSKSA-N 2 2 346.471 2.303 10 0 EEAELP CO[C@@H]1C[NH+](C)[C@@](C)(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000861349161 1295355659 /nfs/dbraw/zinc/35/56/59/1295355659.db2.gz IBEXLLQVWWZIHU-CMKODMSKSA-N 2 2 346.471 2.303 10 0 EEAELP CO[C@@H]1C[NH+](C)[C@@](C)(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000861349161 1295355672 /nfs/dbraw/zinc/35/56/72/1295355672.db2.gz IBEXLLQVWWZIHU-CMKODMSKSA-N 2 2 346.471 2.303 10 0 EEAELP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000861615680 1295478685 /nfs/dbraw/zinc/47/86/85/1295478685.db2.gz UHABXBCRNWIVBT-NZVBXONLSA-N 2 2 342.846 2.213 10 0 EEAELP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000861615680 1295478693 /nfs/dbraw/zinc/47/86/93/1295478693.db2.gz UHABXBCRNWIVBT-NZVBXONLSA-N 2 2 342.846 2.213 10 0 EEAELP CCO[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)C[NH+](C)C ZINC000926965449 1296972520 /nfs/dbraw/zinc/97/25/20/1296972520.db2.gz RKBIBKUBLFROCX-YOEHRIQHSA-N 2 2 335.448 2.261 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H]2CNC(=O)CCCC[NH+]2CCCC2)o1 ZINC001276986734 1300679610 /nfs/dbraw/zinc/67/96/10/1300679610.db2.gz ZJRVKKPXBHXAEV-QGZVFWFLSA-N 2 2 348.491 2.248 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@@H]2CNC(=O)CCCC[NH+]2CCCC2)o1 ZINC001276986734 1300679616 /nfs/dbraw/zinc/67/96/16/1300679616.db2.gz ZJRVKKPXBHXAEV-QGZVFWFLSA-N 2 2 348.491 2.248 10 0 EEAELP Cc1cccc(CCC[NH2+]C2(CNC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001277208812 1301826140 /nfs/dbraw/zinc/82/61/40/1301826140.db2.gz ILSKIBRPAPBEFI-UHFFFAOYSA-N 2 2 326.444 2.132 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)[C@H](C[NH2+]CCCF)C3CC3)[nH+]c12 ZINC001277710392 1304235820 /nfs/dbraw/zinc/23/58/20/1304235820.db2.gz XXAQSUFRXKWFIJ-QGZVFWFLSA-N 2 2 346.450 2.371 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH+]cn2C)cc1 ZINC001277982478 1305571253 /nfs/dbraw/zinc/57/12/53/1305571253.db2.gz VCSIZEBXDCWJQI-SFHVURJKSA-N 2 2 340.471 2.094 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278566405 1317248474 /nfs/dbraw/zinc/24/84/74/1317248474.db2.gz XHCYVHPYKCKZLU-NWDGAFQWSA-N 2 2 332.370 2.169 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278566405 1317248481 /nfs/dbraw/zinc/24/84/81/1317248481.db2.gz XHCYVHPYKCKZLU-NWDGAFQWSA-N 2 2 332.370 2.169 10 0 EEAELP Cc1cnc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001265005808 1322852679 /nfs/dbraw/zinc/85/26/79/1322852679.db2.gz KSOFWYRQVHCEIM-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cnc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001265005808 1322852681 /nfs/dbraw/zinc/85/26/81/1322852681.db2.gz KSOFWYRQVHCEIM-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)o1 ZINC001265005808 1322852682 /nfs/dbraw/zinc/85/26/82/1322852682.db2.gz KSOFWYRQVHCEIM-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2CC(C)C)o1 ZINC001265005808 1322852686 /nfs/dbraw/zinc/85/26/86/1322852686.db2.gz KSOFWYRQVHCEIM-INIZCTEOSA-N 2 2 336.480 2.042 10 0 EEAELP CCOCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001265085471 1322912985 /nfs/dbraw/zinc/91/29/85/1322912985.db2.gz FSMGAEZXBUIVTL-HZPDHXFCSA-N 2 2 344.459 2.344 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc(F)cc1F ZINC001265135303 1322939306 /nfs/dbraw/zinc/93/93/06/1322939306.db2.gz BMWMZMXNQXODNZ-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc(F)cc1F ZINC001265135303 1322939305 /nfs/dbraw/zinc/93/93/05/1322939305.db2.gz BMWMZMXNQXODNZ-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP CC[C@H](F)C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167292 1322961601 /nfs/dbraw/zinc/96/16/01/1322961601.db2.gz KKPTZFDBGWLFER-GJZGRUSLSA-N 2 2 336.455 2.164 10 0 EEAELP CC[C@H](F)C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167292 1322961603 /nfs/dbraw/zinc/96/16/03/1322961603.db2.gz KKPTZFDBGWLFER-GJZGRUSLSA-N 2 2 336.455 2.164 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001265855879 1323430683 /nfs/dbraw/zinc/43/06/83/1323430683.db2.gz DVZLFXYUMKNNPL-LBPRGKRZSA-N 2 2 325.416 2.036 10 0 EEAELP Cc1cc(C)c(C(=O)N2CC[C@@H](C[NH2+]CCOCC3CC3)C2)c(C)[nH+]1 ZINC001266002647 1323557761 /nfs/dbraw/zinc/55/77/61/1323557761.db2.gz ZAMFOKFHUWWBER-SFHVURJKSA-N 2 2 345.487 2.485 10 0 EEAELP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001266006635 1323560656 /nfs/dbraw/zinc/56/06/56/1323560656.db2.gz NKCZEIRIFGPXFS-HOTGVXAUSA-N 2 2 336.480 2.127 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CCNC(=O)c2cccc3[nH+]ccn32)sn1 ZINC001281734457 1325428919 /nfs/dbraw/zinc/42/89/19/1325428919.db2.gz GEOOQKDMMYRXNK-LBPRGKRZSA-N 2 2 343.456 2.397 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001282215192 1325653477 /nfs/dbraw/zinc/65/34/77/1325653477.db2.gz AECSWUAUNHHYBL-RYUDHWBXSA-N 2 2 334.386 2.178 10 0 EEAELP CN(CC(C)(C)C[NH2+]CC[C@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001282306248 1325683031 /nfs/dbraw/zinc/68/30/31/1325683031.db2.gz GEHAORAYDHEBGP-ARFHVFGLSA-N 2 2 348.491 2.014 10 0 EEAELP CN(CC(C)(C)C[NH2+]CC[C@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001282306248 1325683034 /nfs/dbraw/zinc/68/30/34/1325683034.db2.gz GEHAORAYDHEBGP-ARFHVFGLSA-N 2 2 348.491 2.014 10 0 EEAELP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001283205103 1325954727 /nfs/dbraw/zinc/95/47/27/1325954727.db2.gz WMNNEFKAWBOART-OLZOCXBDSA-N 2 2 346.397 2.272 10 0 EEAELP Cc1cccc(CCC[NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]c[nH]3)[C@@H]2C)c1 ZINC001283913360 1326317680 /nfs/dbraw/zinc/31/76/80/1326317680.db2.gz KZYJVQQWOYIMKU-VQIMIIECSA-N 2 2 340.471 2.472 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1[N@H+](CCOCC(C)C)CC2 ZINC001284073236 1326394197 /nfs/dbraw/zinc/39/41/97/1326394197.db2.gz ZUIOVVUINTXUSK-MJGOQNOKSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@]12CCC[C@H]1[N@@H+](CCOCC(C)C)CC2 ZINC001284073236 1326394200 /nfs/dbraw/zinc/39/42/00/1326394200.db2.gz ZUIOVVUINTXUSK-MJGOQNOKSA-N 2 2 348.491 2.046 10 0 EEAELP C[C@@H](CC(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccon1)n1cc[nH+]c1 ZINC001492172496 1331050507 /nfs/dbraw/zinc/05/05/07/1331050507.db2.gz ZHAZZSDPDZCSMY-DOTOQJQBSA-N 2 2 345.447 2.383 10 0 EEAELP C[C@@H](CC(=O)NCCC[C@@H]1CCC[N@H+]1Cc1ccon1)n1cc[nH+]c1 ZINC001492172496 1331050512 /nfs/dbraw/zinc/05/05/12/1331050512.db2.gz ZHAZZSDPDZCSMY-DOTOQJQBSA-N 2 2 345.447 2.383 10 0 EEAELP C[C@@H](CC(=O)NCCC[N@H+](C)C[C@@H]1CC(C)(C)CO1)n1cc[nH+]c1 ZINC001316852476 1331935184 /nfs/dbraw/zinc/93/51/84/1331935184.db2.gz VCGYPOKIWZQOEI-HOTGVXAUSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@@H](CC(=O)NCCC[N@@H+](C)C[C@@H]1CC(C)(C)CO1)n1cc[nH+]c1 ZINC001316852476 1331935186 /nfs/dbraw/zinc/93/51/86/1331935186.db2.gz VCGYPOKIWZQOEI-HOTGVXAUSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316946051 1332008920 /nfs/dbraw/zinc/00/89/20/1332008920.db2.gz WXBWHZHBNPJTBY-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP CCOCCC[N@H+]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001316946051 1332008923 /nfs/dbraw/zinc/00/89/23/1332008923.db2.gz WXBWHZHBNPJTBY-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001317005617 1332041314 /nfs/dbraw/zinc/04/13/14/1332041314.db2.gz HFBPHFJSNBEWGW-CHYADLBTSA-N 2 2 330.476 2.290 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CCCc1cccc(C)c1 ZINC001317284943 1332164450 /nfs/dbraw/zinc/16/44/50/1332164450.db2.gz NPRDHUTUIIZXRS-OAHLLOKOSA-N 2 2 328.460 2.296 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)c2ccc3c[nH+]cn3c2C)oc1C ZINC001317602920 1332320999 /nfs/dbraw/zinc/32/09/99/1332320999.db2.gz HNFQZLYFJNHBPB-UHFFFAOYSA-N 2 2 341.415 2.109 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001317606095 1332322395 /nfs/dbraw/zinc/32/23/95/1332322395.db2.gz KZTXSKIVJVHBHT-GOSISDBHSA-N 2 2 340.471 2.256 10 0 EEAELP C[C@H]1CC[C@H](C[NH2+]CCN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)O1 ZINC001317615438 1332328248 /nfs/dbraw/zinc/32/82/48/1332328248.db2.gz WYHOPRTVXJOWDD-MAUKXSAKSA-N 2 2 342.443 2.101 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001317644151 1332344907 /nfs/dbraw/zinc/34/49/07/1332344907.db2.gz UFJLLPJXBAOECN-CVEARBPZSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)o1 ZINC001317644151 1332344911 /nfs/dbraw/zinc/34/49/11/1332344911.db2.gz UFJLLPJXBAOECN-CVEARBPZSA-N 2 2 348.491 2.363 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](CCCCC2CCOCC2)C1 ZINC001317993969 1332458965 /nfs/dbraw/zinc/45/89/65/1332458965.db2.gz HLCVXGKPDZNYFN-SFHVURJKSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC001317993969 1332458970 /nfs/dbraw/zinc/45/89/70/1332458970.db2.gz HLCVXGKPDZNYFN-SFHVURJKSA-N 2 2 348.491 2.061 10 0 EEAELP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001318894391 1332618803 /nfs/dbraw/zinc/61/88/03/1332618803.db2.gz DXCBAAXVRUJJAO-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCc1ccc(C[NH2+]C/C=C\Cl)cc1 ZINC001319005475 1332636222 /nfs/dbraw/zinc/63/62/22/1332636222.db2.gz DFBQOPIZNPTNLZ-UQCOIBPSSA-N 2 2 332.835 2.121 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]C[C@@H]3CCCCO3)ccn12 ZINC001320414782 1332878058 /nfs/dbraw/zinc/87/80/58/1332878058.db2.gz LYXLHWRGFDRPSB-PBHICJAKSA-N 2 2 344.459 2.310 10 0 EEAELP C[C@@H](CC[NH2+]CCc1cccs1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320468006 1332891061 /nfs/dbraw/zinc/89/10/61/1332891061.db2.gz HRQDFKYHQZVJFI-LSDHHAIUSA-N 2 2 346.500 2.234 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001320470395 1332891285 /nfs/dbraw/zinc/89/12/85/1332891285.db2.gz SPFNGMJQVXWGQM-WBVHZDCISA-N 2 2 326.444 2.130 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCCOC1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001320801903 1332956452 /nfs/dbraw/zinc/95/64/52/1332956452.db2.gz HOWQIEKXHFLPQG-KRWDZBQOSA-N 2 2 333.476 2.485 10 0 EEAELP CCN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001320877283 1332970351 /nfs/dbraw/zinc/97/03/51/1332970351.db2.gz XRJVDZOUCNUDSQ-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001321098564 1333019632 /nfs/dbraw/zinc/01/96/32/1333019632.db2.gz WVECWIQZABLXOT-JHZNUDOXSA-N 2 2 345.472 2.049 10 0 EEAELP C[C@@H]1C[C@H](C[NH2+]C/C=C/CNC(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001321155393 1333032556 /nfs/dbraw/zinc/03/25/56/1333032556.db2.gz LLOJATXHETWXSI-REUDQUMMSA-N 2 2 342.443 2.025 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC/C=C/C[NH2+]Cc1ccc(F)cc1F ZINC001321373440 1333088231 /nfs/dbraw/zinc/08/82/31/1333088231.db2.gz NTSUUDJLEWFHKG-NSCUHMNNSA-N 2 2 348.397 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329.435 2.050 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C(F)F)CC3)CC2)CC1 ZINC000843907952 788732965 /nfs/dbraw/zinc/73/29/65/788732965.db2.gz DBKADMXTPCNXPB-UHFFFAOYSA-N 2 2 329.435 2.050 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000846205818 790075786 /nfs/dbraw/zinc/07/57/86/790075786.db2.gz UFTIZFOJBBLBHL-KRWDZBQOSA-N 2 2 341.459 2.229 10 0 EEAELP CCOC(=O)CC[N@@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176495156 798473444 /nfs/dbraw/zinc/47/34/44/798473444.db2.gz GGEGZJRVKQWZAY-UHFFFAOYSA-N 2 2 334.460 2.164 10 0 EEAELP CCOC(=O)CC[N@H+]1CCC[NH+](Cc2ccccc2)CCOCC1 ZINC001176495156 798473449 /nfs/dbraw/zinc/47/34/49/798473449.db2.gz GGEGZJRVKQWZAY-UHFFFAOYSA-N 2 2 334.460 2.164 10 0 EEAELP CCOC(=O)CC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001176495156 798473455 /nfs/dbraw/zinc/47/34/55/798473455.db2.gz GGEGZJRVKQWZAY-UHFFFAOYSA-N 2 2 334.460 2.164 10 0 EEAELP CCOC(=O)CC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001176495156 798473460 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329.448 2.094 10 0 EEAELP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@@H](C)c1ncc(C)o1 ZINC001437598038 1090103974 /nfs/dbraw/zinc/10/39/74/1090103974.db2.gz UEUKRWFUHJRRKT-JKSUJKDBSA-N 2 2 336.480 2.357 10 0 EEAELP CC[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@@H](C)c1ncc(C)o1 ZINC001437598038 1090103981 /nfs/dbraw/zinc/10/39/81/1090103981.db2.gz UEUKRWFUHJRRKT-JKSUJKDBSA-N 2 2 336.480 2.357 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H](C)c1ncc(C)o1 ZINC001437598038 1090103987 /nfs/dbraw/zinc/10/39/87/1090103987.db2.gz UEUKRWFUHJRRKT-JKSUJKDBSA-N 2 2 336.480 2.357 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1ncc(C)o1 ZINC001437598038 1090103990 /nfs/dbraw/zinc/10/39/90/1090103990.db2.gz UEUKRWFUHJRRKT-JKSUJKDBSA-N 2 2 336.480 2.357 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(F)c(F)c1 ZINC001437640343 1090159177 /nfs/dbraw/zinc/15/91/77/1090159177.db2.gz MXZLIPYMLUDGBV-UHFFFAOYSA-N 2 2 336.386 2.177 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1[nH]c[nH+]c1C)Cc1ccc(F)c(F)c1 ZINC001437640343 1090159180 /nfs/dbraw/zinc/15/91/80/1090159180.db2.gz MXZLIPYMLUDGBV-UHFFFAOYSA-N 2 2 336.386 2.177 10 0 EEAELP CC(C)[N@@H+]1CC[C@@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001437922173 1090512129 /nfs/dbraw/zinc/51/21/29/1090512129.db2.gz YHVJDNHOAPAXHK-PBHICJAKSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[N@H+]1CC[C@@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001437922173 1090512131 /nfs/dbraw/zinc/51/21/31/1090512131.db2.gz YHVJDNHOAPAXHK-PBHICJAKSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[NH+]1CC[C@@H](CCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001437922173 1090512137 /nfs/dbraw/zinc/51/21/37/1090512137.db2.gz YHVJDNHOAPAXHK-PBHICJAKSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[NH+]1CC[C@@H](CCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001437922173 1090512139 /nfs/dbraw/zinc/51/21/39/1090512139.db2.gz YHVJDNHOAPAXHK-PBHICJAKSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C/C=C/c1ccccc1 ZINC001438177561 1090683492 /nfs/dbraw/zinc/68/34/92/1090683492.db2.gz BAIUNZUQOQUZNY-RJHNKFTKSA-N 2 2 327.472 2.325 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C/C=C/c1ccccc1 ZINC001438177561 1090683494 /nfs/dbraw/zinc/68/34/94/1090683494.db2.gz BAIUNZUQOQUZNY-RJHNKFTKSA-N 2 2 327.472 2.325 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C/c1ccccc1 ZINC001438177561 1090683501 /nfs/dbraw/zinc/68/35/01/1090683501.db2.gz BAIUNZUQOQUZNY-RJHNKFTKSA-N 2 2 327.472 2.325 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C/c1ccccc1 ZINC001438177561 1090683503 /nfs/dbraw/zinc/68/35/03/1090683503.db2.gz BAIUNZUQOQUZNY-RJHNKFTKSA-N 2 2 327.472 2.325 10 0 EEAELP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cnc(C)s1 ZINC001438342483 1090818962 /nfs/dbraw/zinc/81/89/62/1090818962.db2.gz MBLZEOJRERADKC-GXTWGEPZSA-N 2 2 335.477 2.284 10 0 EEAELP Cc1nc(C[NH2+]CC2(NC(=O)Cn3cc[nH+]c3C)CCCC2)c(C)o1 ZINC001438398180 1090885534 /nfs/dbraw/zinc/88/55/34/1090885534.db2.gz FYJGGEVKQYTFNU-UHFFFAOYSA-N 2 2 345.447 2.015 10 0 EEAELP CCc1nocc1C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001438510134 1091003204 /nfs/dbraw/zinc/00/32/04/1091003204.db2.gz TVOHIIPZZUUUHE-CYBMUJFWSA-N 2 2 347.463 2.019 10 0 EEAELP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCCC1 ZINC001438607968 1091094898 /nfs/dbraw/zinc/09/48/98/1091094898.db2.gz OJTRQYZCWIHBAI-RRFJBIMHSA-N 2 2 336.455 2.290 10 0 EEAELP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001438668695 1091157790 /nfs/dbraw/zinc/15/77/90/1091157790.db2.gz LYPAHCABBURNOQ-DOTOQJQBSA-N 2 2 344.503 2.462 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1coc(C)n1)c1ccccc1 ZINC001445483984 1091264714 /nfs/dbraw/zinc/26/47/14/1091264714.db2.gz XKGZJTJWRWXDHX-RDTXWAMCSA-N 2 2 344.459 2.270 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1coc(C)n1)c1ccccc1 ZINC001445483984 1091264717 /nfs/dbraw/zinc/26/47/17/1091264717.db2.gz XKGZJTJWRWXDHX-RDTXWAMCSA-N 2 2 344.459 2.270 10 0 EEAELP Cc1oncc1C[NH2+]C1(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001446194818 1092270491 /nfs/dbraw/zinc/27/04/91/1092270491.db2.gz GUVXERJSKLKHRS-INIZCTEOSA-N 2 2 345.447 2.205 10 0 EEAELP C[C@@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(F)cn1)C1CC1)n1cc[nH+]c1 ZINC001439484803 1092292110 /nfs/dbraw/zinc/29/21/10/1092292110.db2.gz RCAWKMZRXCASSL-GUYCJALGSA-N 2 2 345.422 2.053 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)oc1C ZINC001446269496 1092416534 /nfs/dbraw/zinc/41/65/34/1092416534.db2.gz XUHRCFLOBASKMX-JKSUJKDBSA-N 2 2 348.491 2.150 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c(C)o1 ZINC001439859734 1092889617 /nfs/dbraw/zinc/88/96/17/1092889617.db2.gz PNCZMGHLCDFVJM-QFBILLFUSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c(C)o1 ZINC001439859734 1092889620 /nfs/dbraw/zinc/88/96/20/1092889620.db2.gz PNCZMGHLCDFVJM-QFBILLFUSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439859734 1092889627 /nfs/dbraw/zinc/88/96/27/1092889627.db2.gz PNCZMGHLCDFVJM-QFBILLFUSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[NH+]3C)C2)c(C)o1 ZINC001439859734 1092889630 /nfs/dbraw/zinc/88/96/30/1092889630.db2.gz PNCZMGHLCDFVJM-QFBILLFUSA-N 2 2 348.491 2.246 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1)C(=O)Cc1c[nH+]cn1C ZINC001440270405 1093381621 /nfs/dbraw/zinc/38/16/21/1093381621.db2.gz VVYYTVRIHSIWKO-QGZVFWFLSA-N 2 2 344.503 2.466 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CC1CCC2(CC2)CC1)C(=O)Cc1c[nH+]cn1C ZINC001440270405 1093381634 /nfs/dbraw/zinc/38/16/34/1093381634.db2.gz VVYYTVRIHSIWKO-QGZVFWFLSA-N 2 2 344.503 2.466 10 0 EEAELP Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)cc1F ZINC001440403743 1093591616 /nfs/dbraw/zinc/59/16/16/1093591616.db2.gz GGLIQWZDFILKBU-GOEBONIOSA-N 2 2 344.434 2.474 10 0 EEAELP Cc1ncoc1C[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001440407204 1093596446 /nfs/dbraw/zinc/59/64/46/1093596446.db2.gz RNJKUBWAIFZJTI-HOCLYGCPSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1ncoc1C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001440407204 1093596451 /nfs/dbraw/zinc/59/64/51/1093596451.db2.gz RNJKUBWAIFZJTI-HOCLYGCPSA-N 2 2 345.447 2.302 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2c(F)cccc2F)[C@@H]1C ZINC001440489510 1093723850 /nfs/dbraw/zinc/72/38/50/1093723850.db2.gz MTUSJABBMXBHTF-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2c(F)cccc2F)[C@@H]1C ZINC001440489510 1093723856 /nfs/dbraw/zinc/72/38/56/1093723856.db2.gz MTUSJABBMXBHTF-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)[C@@H]1C ZINC001440489510 1093723865 /nfs/dbraw/zinc/72/38/65/1093723865.db2.gz MTUSJABBMXBHTF-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)[C@@H]1C ZINC001440489510 1093723869 /nfs/dbraw/zinc/72/38/69/1093723869.db2.gz MTUSJABBMXBHTF-DYVFJYSZSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001448677378 1093743512 /nfs/dbraw/zinc/74/35/12/1093743512.db2.gz BKAZOIMTNSDJOI-HUUCEWRRSA-N 2 2 336.480 2.219 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC001448677378 1093743516 /nfs/dbraw/zinc/74/35/16/1093743516.db2.gz BKAZOIMTNSDJOI-HUUCEWRRSA-N 2 2 336.480 2.219 10 0 EEAELP C[N@@H+](Cc1ccon1)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001440521796 1093774726 /nfs/dbraw/zinc/77/47/26/1093774726.db2.gz WVGOAGKLMHFWIY-SFHVURJKSA-N 2 2 348.491 2.364 10 0 EEAELP C[N@H+](Cc1ccon1)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001440521796 1093774729 /nfs/dbraw/zinc/77/47/29/1093774729.db2.gz WVGOAGKLMHFWIY-SFHVURJKSA-N 2 2 348.491 2.364 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC1CC(C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001440759927 1094002172 /nfs/dbraw/zinc/00/21/72/1094002172.db2.gz HRFYLOIVXLCWDA-WUXMJOGZSA-N 2 2 345.274 2.156 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001441031772 1094324623 /nfs/dbraw/zinc/32/46/23/1094324623.db2.gz ZSJCZVIGEHDXRQ-KBPBESRZSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCCC(F)(F)C1 ZINC001441031772 1094324628 /nfs/dbraw/zinc/32/46/28/1094324628.db2.gz ZSJCZVIGEHDXRQ-KBPBESRZSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@H](CC(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001449387817 1094362682 /nfs/dbraw/zinc/36/26/82/1094362682.db2.gz PXOGCAJYCKNMKU-LRVUVFPRSA-N 2 2 340.418 2.459 10 0 EEAELP C[C@H]1C[C@H](C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)CCO1 ZINC001441106832 1094417358 /nfs/dbraw/zinc/41/73/58/1094417358.db2.gz FKBLVBDUIJGEKP-JKSUJKDBSA-N 2 2 348.491 2.176 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1Cc1cncs1 ZINC001441129734 1094456633 /nfs/dbraw/zinc/45/66/33/1094456633.db2.gz VORCCNSFVTWHMI-HNNXBMFYSA-N 2 2 347.488 2.291 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1Cc1cncs1 ZINC001441129734 1094456634 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2.480 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1)c1ccccc1 ZINC001441526160 1095231575 /nfs/dbraw/zinc/23/15/75/1095231575.db2.gz IVBYQCZAOLHKSI-KSZLIROESA-N 2 2 342.443 2.104 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccon2)C1)c1ccccc1 ZINC001441526160 1095231595 /nfs/dbraw/zinc/23/15/95/1095231595.db2.gz IVBYQCZAOLHKSI-KSZLIROESA-N 2 2 342.443 2.104 10 0 EEAELP CC[N@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Cc1ccc(C)nc1C ZINC001442714769 1097085280 /nfs/dbraw/zinc/08/52/80/1097085280.db2.gz AWIDWVYQLMVBNL-INIZCTEOSA-N 2 2 343.475 2.484 10 0 EEAELP CC[N@@H+](CCNC(=O)C[C@H](C)n1cc[nH+]c1)Cc1ccc(C)nc1C ZINC001442714769 1097085285 /nfs/dbraw/zinc/08/52/85/1097085285.db2.gz AWIDWVYQLMVBNL-INIZCTEOSA-N 2 2 343.475 2.484 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001442884720 1097280308 /nfs/dbraw/zinc/28/03/08/1097280308.db2.gz BQWNEJJHGPIGEA-ZIAGYGMSSA-N 2 2 340.418 2.216 10 0 EEAELP 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ZINC001480509335 1100335362 /nfs/dbraw/zinc/33/53/62/1100335362.db2.gz RJJRZMUCDWCLLE-OAHLLOKOSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CCn2cc[nH+]c2)s1 ZINC001445114527 1100356260 /nfs/dbraw/zinc/35/62/60/1100356260.db2.gz NLDRMMSZQDOCFC-ZBFHGGJFSA-N 2 2 347.488 2.113 10 0 EEAELP CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CCCC1 ZINC001446489548 1100928280 /nfs/dbraw/zinc/92/82/80/1100928280.db2.gz MGYLDNTWDUZEDH-IRXDYDNUSA-N 2 2 333.480 2.075 10 0 EEAELP CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CCCC1 ZINC001446489548 1100928285 /nfs/dbraw/zinc/92/82/85/1100928285.db2.gz MGYLDNTWDUZEDH-IRXDYDNUSA-N 2 2 333.480 2.075 10 0 EEAELP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496407569 1101001130 /nfs/dbraw/zinc/00/11/30/1101001130.db2.gz WOMSDPHQIGPSIY-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001496410942 1101003381 /nfs/dbraw/zinc/00/33/81/1101003381.db2.gz GQFVEXHDJRHQLF-QGZVFWFLSA-N 2 2 345.422 2.047 10 0 EEAELP C[C@@H](CC(=O)N[C@@]1(C)CC[N@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001446552127 1101022093 /nfs/dbraw/zinc/02/20/93/1101022093.db2.gz ICIHXFGXOKXRJR-JSGCOSHPSA-N 2 2 332.370 2.367 10 0 EEAELP C[C@@H](CC(=O)N[C@@]1(C)CC[N@@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001446552127 1101022101 /nfs/dbraw/zinc/02/21/01/1101022101.db2.gz ICIHXFGXOKXRJR-JSGCOSHPSA-N 2 2 332.370 2.367 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1cc(Cl)ccc1F ZINC001495816430 1101636664 /nfs/dbraw/zinc/63/66/64/1101636664.db2.gz WFBOLQJMAOVSMI-LBPRGKRZSA-N 2 2 338.814 2.218 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1cscn1 ZINC001447042457 1101834612 /nfs/dbraw/zinc/83/46/12/1101834612.db2.gz NYQOHANZDWINFB-JKSUJKDBSA-N 2 2 336.505 2.050 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2Cc1cscn1 ZINC001447042457 1101834628 /nfs/dbraw/zinc/83/46/28/1101834628.db2.gz NYQOHANZDWINFB-JKSUJKDBSA-N 2 2 336.505 2.050 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1cscn1 ZINC001447042457 1101834654 /nfs/dbraw/zinc/83/46/54/1101834654.db2.gz NYQOHANZDWINFB-JKSUJKDBSA-N 2 2 336.505 2.050 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2Cc1cscn1 ZINC001447042457 1101834668 /nfs/dbraw/zinc/83/46/68/1101834668.db2.gz NYQOHANZDWINFB-JKSUJKDBSA-N 2 2 336.505 2.050 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)CCc1[nH+]ccn1C ZINC001497233995 1102168146 /nfs/dbraw/zinc/16/81/46/1102168146.db2.gz NKNVFSWDVRURKB-AWEZNQCLSA-N 2 2 332.423 2.176 10 0 EEAELP CC[C@@H](C)C[NH2+]C1(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CCC1 ZINC001447194063 1102176237 /nfs/dbraw/zinc/17/62/37/1102176237.db2.gz BSSMZKYQCWLDSD-OAHLLOKOSA-N 2 2 332.492 2.437 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+][C@H]1CCc2ccccc21 ZINC001497316205 1102306812 /nfs/dbraw/zinc/30/68/12/1102306812.db2.gz DSVVVNJEMZSZKV-DYVFJYSZSA-N 2 2 326.444 2.433 10 0 EEAELP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H](NC(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001447302652 1102408319 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336.480 2.102 10 0 EEAELP Cc1nc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC001448032332 1103839190 /nfs/dbraw/zinc/83/91/90/1103839190.db2.gz BGBQROWCJWLYSV-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)c(C)o1 ZINC001448032332 1103839204 /nfs/dbraw/zinc/83/92/04/1103839204.db2.gz BGBQROWCJWLYSV-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)c(C)o1 ZINC001448032332 1103839216 /nfs/dbraw/zinc/83/92/16/1103839216.db2.gz BGBQROWCJWLYSV-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001448138950 1104088722 /nfs/dbraw/zinc/08/87/22/1104088722.db2.gz JXHLQFNIGALFOE-QAPCUYQASA-N 2 2 326.444 2.397 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@H]1CCCc2ccccc21 ZINC001448138950 1104088734 /nfs/dbraw/zinc/08/87/34/1104088734.db2.gz JXHLQFNIGALFOE-QAPCUYQASA-N 2 2 326.444 2.397 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001494850377 1104451539 /nfs/dbraw/zinc/45/15/39/1104451539.db2.gz DECYABOEQRTRFP-CZUORRHYSA-N 2 2 345.447 2.172 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001494850377 1104451543 /nfs/dbraw/zinc/45/15/43/1104451543.db2.gz DECYABOEQRTRFP-CZUORRHYSA-N 2 2 345.447 2.172 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccc2ccccc2c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001498122195 1106951548 /nfs/dbraw/zinc/95/15/48/1106951548.db2.gz KGNHQVNHNGSKME-HNNXBMFYSA-N 2 2 336.439 2.442 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001480833550 1107232603 /nfs/dbraw/zinc/23/26/03/1107232603.db2.gz UVNMJPALMHIFPP-ROUUACIJSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC001480833550 1107232612 /nfs/dbraw/zinc/23/26/12/1107232612.db2.gz UVNMJPALMHIFPP-ROUUACIJSA-N 2 2 348.491 2.203 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1oc(C)nc1C ZINC001498454281 1107557628 /nfs/dbraw/zinc/55/76/28/1107557628.db2.gz BEGOUWAKPLJUDT-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1oc(C)nc1C ZINC001498454281 1107557633 /nfs/dbraw/zinc/55/76/33/1107557633.db2.gz BEGOUWAKPLJUDT-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1oc(C)nc1C ZINC001498454281 1107557643 /nfs/dbraw/zinc/55/76/43/1107557643.db2.gz BEGOUWAKPLJUDT-CJNGLKHVSA-N 2 2 336.480 2.102 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ncc(C)o1)[NH+](CC)CC ZINC001493134165 1107568838 /nfs/dbraw/zinc/56/88/38/1107568838.db2.gz BZKRNRJMFWUHSV-HOTGVXAUSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ncc(C)o1)[NH+](CC)CC ZINC001493134165 1107568846 /nfs/dbraw/zinc/56/88/46/1107568846.db2.gz BZKRNRJMFWUHSV-HOTGVXAUSA-N 2 2 336.480 2.184 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001498466978 1107587048 /nfs/dbraw/zinc/58/70/48/1107587048.db2.gz XPPTVYRKPNECIS-QWHCGFSZSA-N 2 2 336.386 2.359 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001498466978 1107587060 /nfs/dbraw/zinc/58/70/60/1107587060.db2.gz XPPTVYRKPNECIS-QWHCGFSZSA-N 2 2 336.386 2.359 10 0 EEAELP O=C(N[C@H](C[NH2+]Cc1cncs1)C1CC1)c1cccc2[nH+]ccn21 ZINC001498790434 1108108701 /nfs/dbraw/zinc/10/87/01/1108108701.db2.gz MRXUGZNMSVTOIC-CQSZACIVSA-N 2 2 341.440 2.089 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001498837754 1108195327 /nfs/dbraw/zinc/19/53/27/1108195327.db2.gz QJHGRUFJMOHNCG-KDOFPFPSSA-N 2 2 326.444 2.273 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001498837754 1108195333 /nfs/dbraw/zinc/19/53/33/1108195333.db2.gz QJHGRUFJMOHNCG-KDOFPFPSSA-N 2 2 326.444 2.273 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1Cc1c(C)noc1C)[NH+](CC)CC ZINC001499059167 1108519489 /nfs/dbraw/zinc/51/94/89/1108519489.db2.gz XYCSRLSGGVVVMH-RDJZCZTQSA-N 2 2 336.480 2.102 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1Cc1c(C)noc1C)[NH+](CC)CC ZINC001499059167 1108519501 /nfs/dbraw/zinc/51/95/01/1108519501.db2.gz XYCSRLSGGVVVMH-RDJZCZTQSA-N 2 2 336.480 2.102 10 0 EEAELP CCOCC[NH2+][C@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001493829419 1108711340 /nfs/dbraw/zinc/71/13/40/1108711340.db2.gz HVWZKANVTWHLMK-CQSZACIVSA-N 2 2 344.459 2.430 10 0 EEAELP CO[C@@H](C)C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001493864294 1108755821 /nfs/dbraw/zinc/75/58/21/1108755821.db2.gz JZMJTKLMQBXCAG-AWEZNQCLSA-N 2 2 332.448 2.428 10 0 EEAELP CO[C@@H](C)C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001493864294 1108755829 /nfs/dbraw/zinc/75/58/29/1108755829.db2.gz JZMJTKLMQBXCAG-AWEZNQCLSA-N 2 2 332.448 2.428 10 0 EEAELP CCOCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001479461297 1110697951 /nfs/dbraw/zinc/69/79/51/1110697951.db2.gz QZOXHHZTWGSDMQ-JKSUJKDBSA-N 2 2 344.459 2.249 10 0 EEAELP COC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479460778 1110697986 /nfs/dbraw/zinc/69/79/86/1110697986.db2.gz PNMDHCLSDGJNGJ-VNHYZAJKSA-N 2 2 330.432 2.086 10 0 EEAELP COCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001499482283 1112313853 /nfs/dbraw/zinc/31/38/53/1112313853.db2.gz UBRAIIRKYXPDBL-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP COCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2)C1 ZINC001499482283 1112313860 /nfs/dbraw/zinc/31/38/60/1112313860.db2.gz UBRAIIRKYXPDBL-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP COc1ccc(C[NH+]2CC(N(C)C(=O)C[N@H+](C)C3CCC3)C2)cc1C ZINC001499689251 1112444689 /nfs/dbraw/zinc/44/46/89/1112444689.db2.gz GFSSMHCHHHEDFQ-UHFFFAOYSA-N 2 2 345.487 2.131 10 0 EEAELP COc1ccc(C[NH+]2CC(N(C)C(=O)C[N@@H+](C)C3CCC3)C2)cc1C ZINC001499689251 1112444692 /nfs/dbraw/zinc/44/46/92/1112444692.db2.gz GFSSMHCHHHEDFQ-UHFFFAOYSA-N 2 2 345.487 2.131 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]CC[C@H]1CCCO1)C1CCCC1 ZINC001500122868 1112627569 /nfs/dbraw/zinc/62/75/69/1112627569.db2.gz MHAPLMLLLOYNDH-SJLPKXTDSA-N 2 2 348.491 2.094 10 0 EEAELP CCOCC[NH+]1CCC(C)(CNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001500436346 1112830415 /nfs/dbraw/zinc/83/04/15/1112830415.db2.gz HISNAARCJKRTQG-UHFFFAOYSA-N 2 2 344.459 2.203 10 0 EEAELP C[C@@]1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[N@H+](CC2CCC2)C1 ZINC001500505129 1112897289 /nfs/dbraw/zinc/89/72/89/1112897289.db2.gz JNQIGRCSNSCAHT-XLIONFOSSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@@]1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCC[N@@H+](CC2CCC2)C1 ZINC001500505129 1112897291 /nfs/dbraw/zinc/89/72/91/1112897291.db2.gz JNQIGRCSNSCAHT-XLIONFOSSA-N 2 2 344.503 2.464 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500505487 1112897301 /nfs/dbraw/zinc/89/73/01/1112897301.db2.gz QGXZPTBYUIOPMG-APWZRJJASA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500505487 1112897303 /nfs/dbraw/zinc/89/73/03/1112897303.db2.gz QGXZPTBYUIOPMG-APWZRJJASA-N 2 2 332.492 2.320 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001501007858 1113164485 /nfs/dbraw/zinc/16/44/85/1113164485.db2.gz MQZFTTLBCNHIAY-BBWFWOEESA-N 2 2 336.455 2.382 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCF)C2 ZINC001501007858 1113164486 /nfs/dbraw/zinc/16/44/86/1113164486.db2.gz MQZFTTLBCNHIAY-BBWFWOEESA-N 2 2 336.455 2.382 10 0 EEAELP CC[C@H](C(=O)N[C@@H]1COC2(C[NH+](CC=C(C)C)C2)C1)[NH+](CC)CC ZINC001502464271 1113694162 /nfs/dbraw/zinc/69/41/62/1113694162.db2.gz HMNWCRYMSWCQSX-DLBZAZTESA-N 2 2 337.508 2.033 10 0 EEAELP COCCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001505404631 1113940702 /nfs/dbraw/zinc/94/07/02/1113940702.db2.gz AXGWOZNRDUWSQJ-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC001568346582 1124429553 /nfs/dbraw/zinc/42/95/53/1124429553.db2.gz KGMLTABNPISUGO-SJORKVTESA-N 2 2 348.491 2.176 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001568539996 1124600827 /nfs/dbraw/zinc/60/08/27/1124600827.db2.gz JIWKNBHZFIHYHK-TZMCWYRMSA-N 2 2 346.397 2.180 10 0 EEAELP C[C@@H](C[NH2+]CC/C=C/c1ccccc1)NC(=O)Cc1c[nH+]cn1C ZINC001569090629 1125091991 /nfs/dbraw/zinc/09/19/91/1125091991.db2.gz OLDSBTPXZNOEDG-DHINHOHASA-N 2 2 326.444 2.160 10 0 EEAELP CN(CCC[NH2+]Cc1cc(C2CC2)no1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001569211425 1125168173 /nfs/dbraw/zinc/16/81/73/1125168173.db2.gz AQIMBJSRPGHDOB-HUUCEWRRSA-N 2 2 343.431 2.017 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)cn1 ZINC001569244190 1125190802 /nfs/dbraw/zinc/19/08/02/1125190802.db2.gz GUCXFMWLJYNJQB-JKSUJKDBSA-N 2 2 344.463 2.132 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000183476139 529800225 /nfs/dbraw/zinc/80/02/25/529800225.db2.gz SOOAYVVDIJIKIZ-UHFFFAOYSA-N 2 2 340.427 2.232 10 0 EEAELP C[N@H+](CCCCS(C)(=O)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000163955231 539537922 /nfs/dbraw/zinc/53/79/22/539537922.db2.gz CQNPXEYZMMJXHQ-GOSISDBHSA-N 2 2 338.517 2.265 10 0 EEAELP C[N@@H+](CCCCS(C)(=O)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000163955231 539537925 /nfs/dbraw/zinc/53/79/25/539537925.db2.gz CQNPXEYZMMJXHQ-GOSISDBHSA-N 2 2 338.517 2.265 10 0 EEAELP C[NH+](CCCCS(C)(=O)=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000163955231 539537930 /nfs/dbraw/zinc/53/79/30/539537930.db2.gz CQNPXEYZMMJXHQ-GOSISDBHSA-N 2 2 338.517 2.265 10 0 EEAELP C[NH+](CCCCS(C)(=O)=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000163955231 539537935 /nfs/dbraw/zinc/53/79/35/539537935.db2.gz CQNPXEYZMMJXHQ-GOSISDBHSA-N 2 2 338.517 2.265 10 0 EEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000332858937 539796248 /nfs/dbraw/zinc/79/62/48/539796248.db2.gz ZNDNYBPYWBNOMN-WFASDCNBSA-N 2 2 347.850 2.366 10 0 EEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000332858937 539796251 /nfs/dbraw/zinc/79/62/51/539796251.db2.gz ZNDNYBPYWBNOMN-WFASDCNBSA-N 2 2 347.850 2.366 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000379482083 539938585 /nfs/dbraw/zinc/93/85/85/539938585.db2.gz ZKFDBASJBMSCEX-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000379482083 539938589 /nfs/dbraw/zinc/93/85/89/539938589.db2.gz ZKFDBASJBMSCEX-LJQANCHMSA-N 2 2 331.504 2.351 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nc(C3CC3)no2)nc[nH+]1 ZINC000072276624 202361343 /nfs/dbraw/zinc/36/13/43/202361343.db2.gz BRZMHWPCANVDHG-DGCLKSJQSA-N 2 2 343.435 2.098 10 0 EEAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2nc3ccccc3n2C)CCO1 ZINC000275702561 201285568 /nfs/dbraw/zinc/28/55/68/201285568.db2.gz XREPLSLYDRNLAB-CXAGYDPISA-N 2 2 325.416 2.317 10 0 EEAELP c1csc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)c1 ZINC000422827805 240247956 /nfs/dbraw/zinc/24/79/56/240247956.db2.gz NLJFEJFTOWBTNH-MOPGFXCFSA-N 3 2 349.544 2.317 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727272 240196437 /nfs/dbraw/zinc/19/64/37/240196437.db2.gz BZWJECPCGNUAHL-YGRLFVJLSA-N 2 2 331.229 2.445 10 0 EEAELP Fc1cc(Br)cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422737623 240201044 /nfs/dbraw/zinc/20/10/44/240201044.db2.gz ZYXJGGSOYHIKMX-GJZGRUSLSA-N 2 2 343.240 2.445 10 0 EEAELP c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(OC2CCCC2)n1 ZINC000422960954 240307986 /nfs/dbraw/zinc/30/79/86/240307986.db2.gz AFXIICILMVMRPB-MJGOQNOKSA-N 2 2 331.460 2.260 10 0 EEAELP CCOC(=O)C1([C@H](C)[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000422885248 240273506 /nfs/dbraw/zinc/27/35/06/240273506.db2.gz GPBSRRLWHCKJKT-BBWFWOEESA-N 3 2 339.524 2.160 10 0 EEAELP CCOC(=O)C1([C@H](C)[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000422885248 240273515 /nfs/dbraw/zinc/27/35/15/240273515.db2.gz GPBSRRLWHCKJKT-BBWFWOEESA-N 3 2 339.524 2.160 10 0 EEAELP C(C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1nc2c(s1)CCCC2 ZINC000422906337 240285688 /nfs/dbraw/zinc/28/56/88/240285688.db2.gz JQQAJYOXQVQJNP-YJBOKZPZSA-N 2 2 335.517 2.311 10 0 EEAELP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000425362434 241142496 /nfs/dbraw/zinc/14/24/96/241142496.db2.gz UYUYBWDYHVYAPX-FUHWJXTLSA-N 2 2 336.501 2.381 10 0 EEAELP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000425339986 241130685 /nfs/dbraw/zinc/13/06/85/241130685.db2.gz DHTSWACYNSBBHE-QZTJIDSGSA-N 2 2 336.501 2.381 10 0 EEAELP Cc1ccc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)[nH+]1 ZINC000447149584 242250672 /nfs/dbraw/zinc/25/06/72/242250672.db2.gz ALEWGNCRFJXHJD-KBPBESRZSA-N 2 2 332.448 2.016 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2nc(C(C)C)no2)nc[nH+]1 ZINC000105797852 204160091 /nfs/dbraw/zinc/16/00/91/204160091.db2.gz ZEXOTSOGUHDASU-CHWSQXEVSA-N 2 2 345.451 2.344 10 0 EEAELP COCC[NH+](CCOC)[C@@H](c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000042953711 204184430 /nfs/dbraw/zinc/18/44/30/204184430.db2.gz NMRSZVQGTQRFOY-SWLSCSKDSA-N 2 2 345.281 2.432 10 0 EEAELP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cncnc3)CC2)c1 ZINC000107318781 204232298 /nfs/dbraw/zinc/23/22/98/204232298.db2.gz ZJKWBWCHFMQJMI-UHFFFAOYSA-N 2 2 345.878 2.432 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000177312454 207320928 /nfs/dbraw/zinc/32/09/28/207320928.db2.gz GTAAJRCISCEQRY-MRXNPFEDSA-N 2 2 343.475 2.470 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000177312454 207320933 /nfs/dbraw/zinc/32/09/33/207320933.db2.gz GTAAJRCISCEQRY-MRXNPFEDSA-N 2 2 343.475 2.470 10 0 EEAELP Brc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422770468 532964101 /nfs/dbraw/zinc/96/41/01/532964101.db2.gz WVTOZZVACHZYOE-GJZGRUSLSA-N 2 2 325.250 2.306 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1 ZINC000049968288 132177997 /nfs/dbraw/zinc/17/79/97/132177997.db2.gz SUOQEODWHFKDPZ-OAHLLOKOSA-N 2 2 342.418 2.220 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000073443261 292170330 /nfs/dbraw/zinc/17/03/30/292170330.db2.gz UJRUZXAOWBEHLI-CQSZACIVSA-N 2 2 333.436 2.234 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+](C)CC2)CC1 ZINC000088670567 292207256 /nfs/dbraw/zinc/20/72/56/292207256.db2.gz CHGABNRDGCATKL-UHFFFAOYSA-N 3 2 330.520 2.402 10 0 EEAELP COc1ccnc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1OC ZINC000191019739 152234937 /nfs/dbraw/zinc/23/49/37/152234937.db2.gz WMJBTZUXPNNWEE-AWEZNQCLSA-N 2 2 330.432 2.287 10 0 EEAELP COc1ccnc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1OC ZINC000191019739 152234939 /nfs/dbraw/zinc/23/49/39/152234939.db2.gz WMJBTZUXPNNWEE-AWEZNQCLSA-N 2 2 330.432 2.287 10 0 EEAELP CN1CC[NH2+]C[C@@H]1c1noc(/C=C/c2ccc(-n3cc[nH+]c3)cc2)n1 ZINC000263113528 152377222 /nfs/dbraw/zinc/37/72/22/152377222.db2.gz AKTKHDRRSGJOOT-IEXSPKMKSA-N 2 2 336.399 2.002 10 0 EEAELP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211180 154005024 /nfs/dbraw/zinc/00/50/24/154005024.db2.gz YYNGSCFTVLXMCM-AWEZNQCLSA-N 2 2 342.443 2.303 10 0 EEAELP COCCN(C)c1ccc(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000248811986 160361675 /nfs/dbraw/zinc/36/16/75/160361675.db2.gz CTJNFUYLXNYUSC-FUHWJXTLSA-N 2 2 343.475 2.444 10 0 EEAELP COCCN(C)c1ccc(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cn1 ZINC000248811986 160361677 /nfs/dbraw/zinc/36/16/77/160361677.db2.gz CTJNFUYLXNYUSC-FUHWJXTLSA-N 2 2 343.475 2.444 10 0 EEAELP C[C@H](C(=O)N1CCCN(c2cccc[nH+]2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000248900088 160366774 /nfs/dbraw/zinc/36/67/74/160366774.db2.gz WSVIYZDNKNGGGL-BRWVUGGUSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](C1CC1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080493515 159142071 /nfs/dbraw/zinc/14/20/71/159142071.db2.gz QDUVWJYQNHTWTC-INIZCTEOSA-N 2 2 336.524 2.377 10 0 EEAELP COCCOc1cccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)c1 ZINC000184762327 160017068 /nfs/dbraw/zinc/01/70/68/160017068.db2.gz MGCQXXMEULFDSJ-UHFFFAOYSA-N 2 2 342.443 2.132 10 0 EEAELP Cc1ccn(C)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000189929611 160152142 /nfs/dbraw/zinc/15/21/42/160152142.db2.gz XHWAICIXDPEYFF-UHFFFAOYSA-N 2 2 332.492 2.014 10 0 EEAELP Cc1ccccc1CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247951615 160333904 /nfs/dbraw/zinc/33/39/04/160333904.db2.gz FBKXDQYQGIOSQM-OALUTQOASA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247951615 160333905 /nfs/dbraw/zinc/33/39/05/160333905.db2.gz FBKXDQYQGIOSQM-OALUTQOASA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247951615 160333906 /nfs/dbraw/zinc/33/39/06/160333906.db2.gz FBKXDQYQGIOSQM-OALUTQOASA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247951615 160333907 /nfs/dbraw/zinc/33/39/07/160333907.db2.gz FBKXDQYQGIOSQM-OALUTQOASA-N 2 2 329.488 2.070 10 0 EEAELP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000342810337 161092442 /nfs/dbraw/zinc/09/24/42/161092442.db2.gz XRGJCKWPADAULO-KBPBESRZSA-N 2 2 340.430 2.151 10 0 EEAELP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000343984692 161186731 /nfs/dbraw/zinc/18/67/31/161186731.db2.gz PLEMECIYZCMLGW-IKGGRYGDSA-N 2 2 349.523 2.431 10 0 EEAELP CCCCc1noc([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000343984692 161186732 /nfs/dbraw/zinc/18/67/32/161186732.db2.gz PLEMECIYZCMLGW-IKGGRYGDSA-N 2 2 349.523 2.431 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3cccs3)C2)CC1 ZINC000365162552 165396557 /nfs/dbraw/zinc/39/65/57/165396557.db2.gz LMZMYDICUYJGBT-CQSZACIVSA-N 2 2 335.517 2.310 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3cccs3)C2)CC1 ZINC000365162552 165396559 /nfs/dbraw/zinc/39/65/59/165396559.db2.gz LMZMYDICUYJGBT-CQSZACIVSA-N 2 2 335.517 2.310 10 0 EEAELP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CCN1CC(F)F ZINC000420368992 287199052 /nfs/dbraw/zinc/19/90/52/287199052.db2.gz XGIRSLQJAHNXMO-JKSUJKDBSA-N 2 2 341.446 2.399 10 0 EEAELP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)CCN1CC(F)F ZINC000420368992 287199054 /nfs/dbraw/zinc/19/90/54/287199054.db2.gz XGIRSLQJAHNXMO-JKSUJKDBSA-N 2 2 341.446 2.399 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)COC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914399 274040362 /nfs/dbraw/zinc/04/03/62/274040362.db2.gz RJBSEXPKSFNOMF-CRAIPNDOSA-N 2 2 345.443 2.079 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292043922 275367227 /nfs/dbraw/zinc/36/72/27/275367227.db2.gz AWGZFBLPMASBAJ-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292043922 275367228 /nfs/dbraw/zinc/36/72/28/275367228.db2.gz AWGZFBLPMASBAJ-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292043922 275367229 /nfs/dbraw/zinc/36/72/29/275367229.db2.gz AWGZFBLPMASBAJ-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292043922 275367230 /nfs/dbraw/zinc/36/72/30/275367230.db2.gz AWGZFBLPMASBAJ-FQEVSTJZSA-N 2 2 345.487 2.119 10 0 EEAELP Cc1c(O)ccc2c(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc(=O)oc12 ZINC000292239912 275399511 /nfs/dbraw/zinc/39/95/11/275399511.db2.gz WOVWYMVLMNRDJK-IBGZPJMESA-N 2 2 328.412 2.335 10 0 EEAELP Cc1c(O)ccc2c(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc(=O)oc12 ZINC000292239912 275399514 /nfs/dbraw/zinc/39/95/14/275399514.db2.gz WOVWYMVLMNRDJK-IBGZPJMESA-N 2 2 328.412 2.335 10 0 EEAELP CC(C)(CO)[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000422970981 278624488 /nfs/dbraw/zinc/62/44/88/278624488.db2.gz XJLWVDNZXOWBJZ-GUDVDZBRSA-N 2 2 332.488 2.145 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000358220493 288073046 /nfs/dbraw/zinc/07/30/46/288073046.db2.gz JWLAXBIDLWECFK-LULLPPNCSA-N 2 2 327.476 2.494 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000358220493 288073048 /nfs/dbraw/zinc/07/30/48/288073048.db2.gz JWLAXBIDLWECFK-LULLPPNCSA-N 2 2 327.476 2.494 10 0 EEAELP C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000117803208 280129864 /nfs/dbraw/zinc/12/98/64/280129864.db2.gz BFDRPWRMBWTPCP-HNAYVOBHSA-N 2 2 345.487 2.036 10 0 EEAELP C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000117803208 280129868 /nfs/dbraw/zinc/12/98/68/280129868.db2.gz BFDRPWRMBWTPCP-HNAYVOBHSA-N 2 2 345.487 2.036 10 0 EEAELP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CCC4(CCOCC4)[C@H]3O)n2c1 ZINC000282657901 292847023 /nfs/dbraw/zinc/84/70/23/292847023.db2.gz IJNWZWASLRZGRD-QAPCUYQASA-N 2 2 329.444 2.300 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc2c1OCCO2 ZINC000293650344 293260958 /nfs/dbraw/zinc/26/09/58/293260958.db2.gz MZFNLZOZWDFBTE-IBGZPJMESA-N 2 2 332.444 2.384 10 0 EEAELP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc2c1OCCO2 ZINC000293650344 293260959 /nfs/dbraw/zinc/26/09/59/293260959.db2.gz MZFNLZOZWDFBTE-IBGZPJMESA-N 2 2 332.444 2.384 10 0 EEAELP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc2c1OCCO2 ZINC000293650344 293260960 /nfs/dbraw/zinc/26/09/60/293260960.db2.gz MZFNLZOZWDFBTE-IBGZPJMESA-N 2 2 332.444 2.384 10 0 EEAELP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc2c1OCCO2 ZINC000293650344 293260962 /nfs/dbraw/zinc/26/09/62/293260962.db2.gz MZFNLZOZWDFBTE-IBGZPJMESA-N 2 2 332.444 2.384 10 0 EEAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCCO2 ZINC000151253965 295275025 /nfs/dbraw/zinc/27/50/25/295275025.db2.gz WKWFBIHVWNAIDT-MAUKXSAKSA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC000248791552 295369323 /nfs/dbraw/zinc/36/93/23/295369323.db2.gz XTBNRTDMBATDLM-VYDXJSESSA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC000248791552 295369325 /nfs/dbraw/zinc/36/93/25/295369325.db2.gz XTBNRTDMBATDLM-VYDXJSESSA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000248791552 295369328 /nfs/dbraw/zinc/36/93/28/295369328.db2.gz XTBNRTDMBATDLM-VYDXJSESSA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC000248791552 295369330 /nfs/dbraw/zinc/36/93/30/295369330.db2.gz XTBNRTDMBATDLM-VYDXJSESSA-N 2 2 331.460 2.215 10 0 EEAELP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCCn2cc[nH+]c21 ZINC000176014526 303757907 /nfs/dbraw/zinc/75/79/07/303757907.db2.gz GHLYEVNVHXBUEC-HNNXBMFYSA-N 2 2 348.516 2.238 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3c[nH+]cn3C)C2)C12CCOCC2 ZINC000333241408 312117280 /nfs/dbraw/zinc/11/72/80/312117280.db2.gz INRRQYOIYSPTCM-LEUOFYLZSA-N 2 2 349.475 2.204 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000333572182 312167906 /nfs/dbraw/zinc/16/79/06/312167906.db2.gz SBWYJXMQUCJIGZ-DRMAHVMPSA-N 2 2 345.491 2.423 10 0 EEAELP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccn1 ZINC000346991178 312273734 /nfs/dbraw/zinc/27/37/34/312273734.db2.gz YNUWDWZRKOFVLT-AEFFLSMTSA-N 2 2 332.492 2.455 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000414906499 313111718 /nfs/dbraw/zinc/11/17/18/313111718.db2.gz PYMCYXCROJIJNU-AIANPOQGSA-N 2 2 346.475 2.249 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000514733961 316418494 /nfs/dbraw/zinc/41/84/94/316418494.db2.gz UYEKFEJYQZTKOZ-UHFFFAOYSA-N 2 2 346.450 2.271 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)c1 ZINC000515638194 316509162 /nfs/dbraw/zinc/50/91/62/316509162.db2.gz VWXSJTALKZSRRD-CYBMUJFWSA-N 2 2 343.349 2.011 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)c2cc1C ZINC000528751459 317469267 /nfs/dbraw/zinc/46/92/67/317469267.db2.gz CVMXHXVWTCCOKK-WPECMILSSA-N 2 2 331.460 2.416 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C2CCc3ccccc3CC2)CC1 ZINC000528787126 317479014 /nfs/dbraw/zinc/47/90/14/317479014.db2.gz WFFLMQUPZBUYDM-UHFFFAOYSA-N 2 2 343.515 2.324 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1cccs1 ZINC000538652816 318039438 /nfs/dbraw/zinc/03/94/38/318039438.db2.gz MCPPCTNGAGLKES-HNNXBMFYSA-N 2 2 332.473 2.243 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC4(C3)CCOCC4)c2cc1C ZINC000546756395 318266672 /nfs/dbraw/zinc/26/66/72/318266672.db2.gz ULTXTVZKWQIJIL-MRXNPFEDSA-N 2 2 329.444 2.126 10 0 EEAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C ZINC000574926726 320072187 /nfs/dbraw/zinc/07/21/87/320072187.db2.gz LOKWRSUSFMVOKQ-QILLFSRXSA-N 2 2 332.492 2.057 10 0 EEAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)[NH2+]C ZINC000574926726 320072189 /nfs/dbraw/zinc/07/21/89/320072189.db2.gz LOKWRSUSFMVOKQ-QILLFSRXSA-N 2 2 332.492 2.057 10 0 EEAELP CC(C)C[C@@H]([NH3+])c1noc(C2CC[NH+](Cc3nccn3C)CC2)n1 ZINC000578768449 323704792 /nfs/dbraw/zinc/70/47/92/323704792.db2.gz BTPZAMFSYSQPMF-CQSZACIVSA-N 2 2 332.452 2.229 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000582591414 324483751 /nfs/dbraw/zinc/48/37/51/324483751.db2.gz RQCXLJMVEDHCEN-OAHLLOKOSA-N 2 2 333.480 2.481 10 0 EEAELP C[C@H](CNc1nc2ccccc2n2c[nH+]cc12)C[NH+]1CCOCC1 ZINC000623985666 450660108 /nfs/dbraw/zinc/66/01/08/450660108.db2.gz YNIZDVMBOXNJNR-CQSZACIVSA-N 2 2 325.416 2.263 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000049157782 462957677 /nfs/dbraw/zinc/95/76/77/462957677.db2.gz RFYVNSHVMCLLNJ-IYBDPMFKSA-N 2 2 347.507 2.315 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000049157782 462957681 /nfs/dbraw/zinc/95/76/81/462957681.db2.gz RFYVNSHVMCLLNJ-IYBDPMFKSA-N 2 2 347.507 2.315 10 0 EEAELP COc1cc2cc[nH+]c(N[C@@H](C)C[NH+]3CCOCC3)c2cc1OC ZINC000325996364 465033614 /nfs/dbraw/zinc/03/36/14/465033614.db2.gz LQDXARMRPFXYRM-ZDUSSCGKSA-N 2 2 331.416 2.385 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)CS(C)(=O)=O ZINC000336860582 465057358 /nfs/dbraw/zinc/05/73/58/465057358.db2.gz SHGKALVATBWIFF-IXDOHACOSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)CS(C)(=O)=O ZINC000336860582 465057361 /nfs/dbraw/zinc/05/73/61/465057361.db2.gz SHGKALVATBWIFF-IXDOHACOSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)CS(C)(=O)=O ZINC000336860582 465057363 /nfs/dbraw/zinc/05/73/63/465057363.db2.gz SHGKALVATBWIFF-IXDOHACOSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)CS(C)(=O)=O ZINC000336860582 465057365 /nfs/dbraw/zinc/05/73/65/465057365.db2.gz SHGKALVATBWIFF-IXDOHACOSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@@H]1CN(c2ccc(CNc3[nH+]cnc4[nH]ccc43)c[nH+]2)C[C@@H](C)O1 ZINC000339131093 465102086 /nfs/dbraw/zinc/10/20/86/465102086.db2.gz CAADKZQZZYRIMM-CHWSQXEVSA-N 2 2 338.415 2.579 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000074534863 462611532 /nfs/dbraw/zinc/61/15/32/462611532.db2.gz YYJYWSRPYWGZJN-UHFFFAOYSA-N 2 2 333.480 2.309 10 0 EEAELP CN(C)c1cc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc[nH+]1 ZINC000089323023 462665860 /nfs/dbraw/zinc/66/58/60/462665860.db2.gz HDQFRYBWTWNMIZ-OAHLLOKOSA-N 2 2 347.488 2.311 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000156970650 463086072 /nfs/dbraw/zinc/08/60/72/463086072.db2.gz FYBCZYVWQDKUGU-WBVHZDCISA-N 2 2 345.491 2.210 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000156970650 463086081 /nfs/dbraw/zinc/08/60/81/463086081.db2.gz FYBCZYVWQDKUGU-WBVHZDCISA-N 2 2 345.491 2.210 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000123875322 463376002 /nfs/dbraw/zinc/37/60/02/463376002.db2.gz IJAQJHHGNYRISR-MJGOQNOKSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCCN(C)c2ccccc2)CC[N@H+]1C ZINC000123875322 463376008 /nfs/dbraw/zinc/37/60/08/463376008.db2.gz IJAQJHHGNYRISR-MJGOQNOKSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCCN(C)c2ccccc2)CC[NH+]1C ZINC000123875322 463376011 /nfs/dbraw/zinc/37/60/11/463376011.db2.gz IJAQJHHGNYRISR-MJGOQNOKSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCCN(C)c2ccccc2)CC[NH+]1C ZINC000123875322 463376017 /nfs/dbraw/zinc/37/60/17/463376017.db2.gz IJAQJHHGNYRISR-MJGOQNOKSA-N 2 2 346.519 2.044 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000105875705 463484698 /nfs/dbraw/zinc/48/46/98/463484698.db2.gz WJMKOCYXQQRZGS-UHFFFAOYSA-N 2 2 342.443 2.322 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc(C2CCCC2)no1 ZINC000162186319 463490650 /nfs/dbraw/zinc/49/06/50/463490650.db2.gz WXKHYZLKZXFOPP-UHFFFAOYSA-N 2 2 335.496 2.185 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc(C2CCCC2)no1 ZINC000162186319 463490655 /nfs/dbraw/zinc/49/06/55/463490655.db2.gz WXKHYZLKZXFOPP-UHFFFAOYSA-N 2 2 335.496 2.185 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000057832271 463522000 /nfs/dbraw/zinc/52/20/00/463522000.db2.gz ZGPQVAGMHSCKEU-QGZVFWFLSA-N 2 2 326.444 2.457 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc[nH+]c1N(C)C)c1ccccc1 ZINC000057832271 463522002 /nfs/dbraw/zinc/52/20/02/463522002.db2.gz ZGPQVAGMHSCKEU-QGZVFWFLSA-N 2 2 326.444 2.457 10 0 EEAELP Cn1cc(-c2nc([C@H]3CCCCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)no2)cn1 ZINC000261743547 463846749 /nfs/dbraw/zinc/84/67/49/463846749.db2.gz BPBQIJFTXBFZGT-GDBMZVCRSA-N 2 2 344.463 2.387 10 0 EEAELP Cn1cc(-c2nc([C@H]3CCCCC[N@H+]3C[C@@H]3CCC[NH2+]C3)no2)cn1 ZINC000261743547 463846757 /nfs/dbraw/zinc/84/67/57/463846757.db2.gz BPBQIJFTXBFZGT-GDBMZVCRSA-N 2 2 344.463 2.387 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1C ZINC000178328055 463881020 /nfs/dbraw/zinc/88/10/20/463881020.db2.gz RHPMEMUUYLXKQJ-QZTJIDSGSA-N 2 2 329.444 2.404 10 0 EEAELP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000283622969 463947887 /nfs/dbraw/zinc/94/78/87/463947887.db2.gz ATPRQMPINJIQDK-UHFFFAOYSA-N 2 2 337.427 2.079 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000186341143 463978624 /nfs/dbraw/zinc/97/86/24/463978624.db2.gz FXVNWLXWXUQYKF-MRXNPFEDSA-N 2 2 328.416 2.308 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[N@@H+]1C ZINC000279178337 464054320 /nfs/dbraw/zinc/05/43/20/464054320.db2.gz JWMYHCDKORMGAQ-JLJPHGGASA-N 2 2 344.434 2.495 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CC[N@H+]1C ZINC000279178337 464054327 /nfs/dbraw/zinc/05/43/27/464054327.db2.gz JWMYHCDKORMGAQ-JLJPHGGASA-N 2 2 344.434 2.495 10 0 EEAELP O[C@H](COc1ccccc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515866 464064888 /nfs/dbraw/zinc/06/48/88/464064888.db2.gz DNRDGEDRAQBHQI-SJORKVTESA-N 2 2 327.428 2.255 10 0 EEAELP O[C@H](COc1ccccc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000195515866 464064892 /nfs/dbraw/zinc/06/48/92/464064892.db2.gz DNRDGEDRAQBHQI-SJORKVTESA-N 2 2 327.428 2.255 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000270311765 464250322 /nfs/dbraw/zinc/25/03/22/464250322.db2.gz VKJRNJVANVAPSW-HYVNUMGLSA-N 2 2 327.432 2.016 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000270311765 464250324 /nfs/dbraw/zinc/25/03/24/464250324.db2.gz VKJRNJVANVAPSW-HYVNUMGLSA-N 2 2 327.432 2.016 10 0 EEAELP C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174711504 464441156 /nfs/dbraw/zinc/44/11/56/464441156.db2.gz TYRGEPWUKCJKRL-INIZCTEOSA-N 2 2 343.475 2.367 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nnc1C1CCC1 ZINC000181362591 464478043 /nfs/dbraw/zinc/47/80/43/464478043.db2.gz QIFPIGXHKWSULM-AWEZNQCLSA-N 2 2 326.448 2.412 10 0 EEAELP Cn1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nnc1C1CCC1 ZINC000181362591 464478047 /nfs/dbraw/zinc/47/80/47/464478047.db2.gz QIFPIGXHKWSULM-AWEZNQCLSA-N 2 2 326.448 2.412 10 0 EEAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000579788017 468407553 /nfs/dbraw/zinc/40/75/53/468407553.db2.gz CURFFABQJJCGAR-YOEHRIQHSA-N 2 2 330.476 2.254 10 0 EEAELP COC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265492924 464579465 /nfs/dbraw/zinc/57/94/65/464579465.db2.gz NOSMXBYVIOIJHJ-UHFFFAOYSA-N 2 2 342.399 2.014 10 0 EEAELP c1c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nnn1Cc1cccnc1 ZINC000183035536 464780276 /nfs/dbraw/zinc/78/02/76/464780276.db2.gz OAJAJJAAINHBQM-KRWDZBQOSA-N 2 2 349.442 2.050 10 0 EEAELP c1c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nnn1Cc1cccnc1 ZINC000183035536 464780284 /nfs/dbraw/zinc/78/02/84/464780284.db2.gz OAJAJJAAINHBQM-KRWDZBQOSA-N 2 2 349.442 2.050 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(C)n(C)n3)cn2)CC1 ZINC000337390697 465342905 /nfs/dbraw/zinc/34/29/05/465342905.db2.gz KZEIJSMXRJPDEU-INIZCTEOSA-N 2 2 342.491 2.116 10 0 EEAELP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000337404066 465348217 /nfs/dbraw/zinc/34/82/17/465348217.db2.gz SKRNDGKOEWPFSE-AOIWGVFYSA-N 2 2 329.492 2.157 10 0 EEAELP CCOC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348352728 465563547 /nfs/dbraw/zinc/56/35/47/465563547.db2.gz LXZVJSVYQIXUEN-ZDUSSCGKSA-N 2 2 344.415 2.289 10 0 EEAELP CCOC(=O)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348352728 465563548 /nfs/dbraw/zinc/56/35/48/465563548.db2.gz LXZVJSVYQIXUEN-ZDUSSCGKSA-N 2 2 344.415 2.289 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@@H](C)C1 ZINC000348706055 465749181 /nfs/dbraw/zinc/74/91/81/465749181.db2.gz MXBZUJDKKJYYPL-LPHOPBHVSA-N 2 2 342.487 2.285 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@@H](C)C1 ZINC000348706055 465749187 /nfs/dbraw/zinc/74/91/87/465749187.db2.gz MXBZUJDKKJYYPL-LPHOPBHVSA-N 2 2 342.487 2.285 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@@H](C)C1 ZINC000348706055 465749192 /nfs/dbraw/zinc/74/91/92/465749192.db2.gz MXBZUJDKKJYYPL-LPHOPBHVSA-N 2 2 342.487 2.285 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@@H](C)C1 ZINC000348706055 465749200 /nfs/dbraw/zinc/74/92/00/465749200.db2.gz MXBZUJDKKJYYPL-LPHOPBHVSA-N 2 2 342.487 2.285 10 0 EEAELP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2)cc1 ZINC000371470458 465817353 /nfs/dbraw/zinc/81/73/53/465817353.db2.gz LPELZTWDCLCLGR-QGZVFWFLSA-N 2 2 328.416 2.385 10 0 EEAELP COc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCCn2cc[nH+]c2)cc1 ZINC000371470458 465817359 /nfs/dbraw/zinc/81/73/59/465817359.db2.gz LPELZTWDCLCLGR-QGZVFWFLSA-N 2 2 328.416 2.385 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353432748 465878197 /nfs/dbraw/zinc/87/81/97/465878197.db2.gz CKSNGTUJIVAVSP-ACRUOGEOSA-N 3 2 343.515 2.481 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000361348994 465927898 /nfs/dbraw/zinc/92/78/98/465927898.db2.gz QGJOMLSITFCJCA-HNNXBMFYSA-N 2 2 329.448 2.258 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000361348994 465927907 /nfs/dbraw/zinc/92/79/07/465927907.db2.gz QGJOMLSITFCJCA-HNNXBMFYSA-N 2 2 329.448 2.258 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000358198763 466533786 /nfs/dbraw/zinc/53/37/86/466533786.db2.gz YYFRYYGPVFSZNV-LULLPPNCSA-N 2 2 327.472 2.250 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000358198763 466533793 /nfs/dbraw/zinc/53/37/93/466533793.db2.gz YYFRYYGPVFSZNV-LULLPPNCSA-N 2 2 327.472 2.250 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000341079814 466567530 /nfs/dbraw/zinc/56/75/30/466567530.db2.gz HMZZDAVSJHGCMW-UHFFFAOYSA-N 2 2 325.412 2.483 10 0 EEAELP C[NH+]1CCC(CNC(=O)NC[C@H]2CC2(C)C)([NH+]2CCCCC2)CC1 ZINC000341123050 466600908 /nfs/dbraw/zinc/60/09/08/466600908.db2.gz JRIYSFFEULZACM-MRXNPFEDSA-N 2 2 336.524 2.282 10 0 EEAELP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1nccn1CC(F)(F)F ZINC000422719582 466680777 /nfs/dbraw/zinc/68/07/77/466680777.db2.gz YWBGWSAOCJEECX-OCCSQVGLSA-N 2 2 326.366 2.494 10 0 EEAELP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000422719582 466680782 /nfs/dbraw/zinc/68/07/82/466680782.db2.gz YWBGWSAOCJEECX-OCCSQVGLSA-N 2 2 326.366 2.494 10 0 EEAELP FC(F)(F)c1csc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000422813117 466683758 /nfs/dbraw/zinc/68/37/58/466683758.db2.gz XLGKWQKYJCQWBI-MFKMUULPSA-N 2 2 335.395 2.061 10 0 EEAELP C[NH2+]Cc1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000415973293 466716868 /nfs/dbraw/zinc/71/68/68/466716868.db2.gz OGXUHIJAOLVNIT-GOSISDBHSA-N 2 2 346.475 2.125 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@H+](C)CC1 ZINC000411160117 466775637 /nfs/dbraw/zinc/77/56/37/466775637.db2.gz WMEKEKIANCBVFT-CQSZACIVSA-N 2 2 327.432 2.041 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@@H+](C)CC1 ZINC000411160117 466775640 /nfs/dbraw/zinc/77/56/40/466775640.db2.gz WMEKEKIANCBVFT-CQSZACIVSA-N 2 2 327.432 2.041 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000376281778 466903309 /nfs/dbraw/zinc/90/33/09/466903309.db2.gz NMPFJKWOHKCPNX-JKSUJKDBSA-N 2 2 345.491 2.370 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000376281778 466903312 /nfs/dbraw/zinc/90/33/12/466903312.db2.gz NMPFJKWOHKCPNX-JKSUJKDBSA-N 2 2 345.491 2.370 10 0 EEAELP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417938944 466994041 /nfs/dbraw/zinc/99/40/41/466994041.db2.gz JJDWYGVROVSDDC-KMUNFCNLSA-N 2 2 342.846 2.213 10 0 EEAELP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417938944 466994046 /nfs/dbraw/zinc/99/40/46/466994046.db2.gz JJDWYGVROVSDDC-KMUNFCNLSA-N 2 2 342.846 2.213 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000424165058 466994658 /nfs/dbraw/zinc/99/46/58/466994658.db2.gz DEMUPXUXMWEJOX-SDJAHQOYSA-N 2 2 325.815 2.078 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000424165058 466994661 /nfs/dbraw/zinc/99/46/61/466994661.db2.gz DEMUPXUXMWEJOX-SDJAHQOYSA-N 2 2 325.815 2.078 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC2)s1 ZINC000418374108 467101479 /nfs/dbraw/zinc/10/14/79/467101479.db2.gz CJZBVXDTWHWVPZ-MRXNPFEDSA-N 2 2 338.521 2.121 10 0 EEAELP [NH3+][C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000418420569 467107363 /nfs/dbraw/zinc/10/73/63/467107363.db2.gz BIWGCLKAIKWUNY-QGZVFWFLSA-N 2 2 344.484 2.275 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418729947 467151640 /nfs/dbraw/zinc/15/16/40/467151640.db2.gz RPVIJLSZVYMGAY-LSDHHAIUSA-N 2 2 333.480 2.065 10 0 EEAELP O=C1CC[C@H]([NH+]2CCN(c3cc[nH+]c4ccsc43)CC2)CCN1 ZINC000450895974 467199834 /nfs/dbraw/zinc/19/98/34/467199834.db2.gz ZDPZUOSHNDGKLL-ZDUSSCGKSA-N 2 2 330.457 2.087 10 0 EEAELP C[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc2O1 ZINC000429125227 467302578 /nfs/dbraw/zinc/30/25/78/467302578.db2.gz YGMKVRQGHZVLNR-HNNXBMFYSA-N 2 2 343.471 2.013 10 0 EEAELP C[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc2O1 ZINC000429125227 467302582 /nfs/dbraw/zinc/30/25/82/467302582.db2.gz YGMKVRQGHZVLNR-HNNXBMFYSA-N 2 2 343.471 2.013 10 0 EEAELP Cc1nc2[nH]ccc2c(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000433792462 467353703 /nfs/dbraw/zinc/35/37/03/467353703.db2.gz IGWYAZIKNHOLBC-INIZCTEOSA-N 2 2 337.427 2.579 10 0 EEAELP Cc1nc2[nH]ccc2c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH+]1 ZINC000433792462 467353707 /nfs/dbraw/zinc/35/37/07/467353707.db2.gz IGWYAZIKNHOLBC-INIZCTEOSA-N 2 2 337.427 2.579 10 0 EEAELP c1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000433784429 467353908 /nfs/dbraw/zinc/35/39/08/467353908.db2.gz VZCQHTANNGDGDT-KRWDZBQOSA-N 2 2 345.491 2.158 10 0 EEAELP c1nc(N2CCCC2)cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000433784429 467353910 /nfs/dbraw/zinc/35/39/10/467353910.db2.gz VZCQHTANNGDGDT-KRWDZBQOSA-N 2 2 345.491 2.158 10 0 EEAELP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nnc1-c1ccccc1 ZINC000420397530 467395251 /nfs/dbraw/zinc/39/52/51/467395251.db2.gz MPQPIGBTKLCUMF-IAGOWNOFSA-N 2 2 325.460 2.446 10 0 EEAELP Cn1c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nnc1-c1ccccc1 ZINC000420397530 467395253 /nfs/dbraw/zinc/39/52/53/467395253.db2.gz MPQPIGBTKLCUMF-IAGOWNOFSA-N 2 2 325.460 2.446 10 0 EEAELP CC(C)[C@@H]([NH3+])CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000414752270 467435257 /nfs/dbraw/zinc/43/52/57/467435257.db2.gz OUYMCXZFVAKJAW-ZDUSSCGKSA-N 2 2 325.482 2.234 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+]CC1([NH3+])CCCCC1)OCO2 ZINC000414849587 467438736 /nfs/dbraw/zinc/43/87/36/467438736.db2.gz XWEUFYJOCIFDDY-UHFFFAOYSA-N 2 2 336.432 2.192 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(-n2cccn2)cc1 ZINC000453266991 467474107 /nfs/dbraw/zinc/47/41/07/467474107.db2.gz OVHFRDWEGMOBAL-QFBILLFUSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(-n2cccn2)cc1 ZINC000453266991 467474109 /nfs/dbraw/zinc/47/41/09/467474109.db2.gz OVHFRDWEGMOBAL-QFBILLFUSA-N 2 2 328.460 2.370 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)c2c[nH+]c[nH]2)cc1F ZINC000458273223 467801800 /nfs/dbraw/zinc/80/18/00/467801800.db2.gz APFZGXVOBIPNEM-UHFFFAOYSA-N 2 2 334.395 2.406 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1F ZINC000458273223 467801807 /nfs/dbraw/zinc/80/18/07/467801807.db2.gz APFZGXVOBIPNEM-UHFFFAOYSA-N 2 2 334.395 2.406 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)c1ccccc1 ZINC000457460413 467829201 /nfs/dbraw/zinc/82/92/01/467829201.db2.gz QVXOSMSTZOHZGJ-GOSISDBHSA-N 2 2 343.475 2.345 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515649522 468000415 /nfs/dbraw/zinc/00/04/15/468000415.db2.gz CBCACLZGNGBVHG-OXQOHEQNSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000515649522 468000416 /nfs/dbraw/zinc/00/04/16/468000416.db2.gz CBCACLZGNGBVHG-OXQOHEQNSA-N 2 2 327.472 2.430 10 0 EEAELP Cc1nc(N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000488359288 468082798 /nfs/dbraw/zinc/08/27/98/468082798.db2.gz UEZKZDXBIOUZBR-UHFFFAOYSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1nc(N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000488359288 468082801 /nfs/dbraw/zinc/08/28/01/468082801.db2.gz UEZKZDXBIOUZBR-UHFFFAOYSA-N 2 2 340.475 2.347 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2ccc3oc(C(=O)OC)cc3c2)CC1 ZINC000568050962 468263655 /nfs/dbraw/zinc/26/36/55/468263655.db2.gz PJWBHDAJYLAOBB-UHFFFAOYSA-N 2 2 346.427 2.420 10 0 EEAELP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000568044053 468263745 /nfs/dbraw/zinc/26/37/45/468263745.db2.gz QDBQGKJZQMBUBW-DLBZAZTESA-N 2 2 347.507 2.259 10 0 EEAELP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000568044053 468263751 /nfs/dbraw/zinc/26/37/51/468263751.db2.gz QDBQGKJZQMBUBW-DLBZAZTESA-N 2 2 347.507 2.259 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000582242012 468511878 /nfs/dbraw/zinc/51/18/78/468511878.db2.gz UFNHFDCQTCEYAE-IBGZPJMESA-N 2 2 344.459 2.027 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(C)c1 ZINC000582242012 468511883 /nfs/dbraw/zinc/51/18/83/468511883.db2.gz UFNHFDCQTCEYAE-IBGZPJMESA-N 2 2 344.459 2.027 10 0 EEAELP CC(C)[NH2+]CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000557217508 468621869 /nfs/dbraw/zinc/62/18/69/468621869.db2.gz ZHFYHPIJDVZLPB-INIZCTEOSA-N 2 2 347.507 2.497 10 0 EEAELP CN1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000570331674 468622910 /nfs/dbraw/zinc/62/29/10/468622910.db2.gz KAOYRQDAHCAYDO-ROUUACIJSA-N 2 2 327.472 2.394 10 0 EEAELP CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000570331674 468622911 /nfs/dbraw/zinc/62/29/11/468622911.db2.gz KAOYRQDAHCAYDO-ROUUACIJSA-N 2 2 327.472 2.394 10 0 EEAELP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000561125498 468865181 /nfs/dbraw/zinc/86/51/81/468865181.db2.gz XXPGSLAEFPVRJG-KRWDZBQOSA-N 2 2 343.475 2.108 10 0 EEAELP O=C1[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCCN1c1cccc(F)c1 ZINC000584529975 468893398 /nfs/dbraw/zinc/89/33/98/468893398.db2.gz HMLZGPTYLTXVKN-PKOBYXMFSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH2+]C3)CCCN1c1cccc(F)c1 ZINC000584529975 468893403 /nfs/dbraw/zinc/89/34/03/468893403.db2.gz HMLZGPTYLTXVKN-PKOBYXMFSA-N 2 2 331.435 2.397 10 0 EEAELP C[N@@H+]1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)[C@H](C[NH3+])C1 ZINC000573223611 469087408 /nfs/dbraw/zinc/08/74/08/469087408.db2.gz QCJIKWWPHXEIGQ-CVEARBPZSA-N 2 2 336.867 2.075 10 0 EEAELP C[N@H+]1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)[C@H](C[NH3+])C1 ZINC000573223611 469087414 /nfs/dbraw/zinc/08/74/14/469087414.db2.gz QCJIKWWPHXEIGQ-CVEARBPZSA-N 2 2 336.867 2.075 10 0 EEAELP C[NH2+]CCOCCNC(=O)Nc1c[nH+]c(N2CCCC[C@@H]2C)c(C)c1 ZINC000625876172 469420808 /nfs/dbraw/zinc/42/08/08/469420808.db2.gz AGRFFWICEVMFLK-HNNXBMFYSA-N 2 2 349.479 2.126 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008327 469467211 /nfs/dbraw/zinc/46/72/11/469467211.db2.gz VPBUEXFKTFBYMY-INIZCTEOSA-N 2 2 346.393 2.003 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008327 469467215 /nfs/dbraw/zinc/46/72/15/469467215.db2.gz VPBUEXFKTFBYMY-INIZCTEOSA-N 2 2 346.393 2.003 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008327 469467217 /nfs/dbraw/zinc/46/72/17/469467217.db2.gz VPBUEXFKTFBYMY-INIZCTEOSA-N 2 2 346.393 2.003 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008327 469467222 /nfs/dbraw/zinc/46/72/22/469467222.db2.gz VPBUEXFKTFBYMY-INIZCTEOSA-N 2 2 346.393 2.003 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C1)CC2 ZINC000626220141 469546285 /nfs/dbraw/zinc/54/62/85/469546285.db2.gz GVFQYHZJUGPFGR-NUJGCVRESA-N 2 2 342.487 2.229 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C1)CC2 ZINC000626220141 469546290 /nfs/dbraw/zinc/54/62/90/469546290.db2.gz GVFQYHZJUGPFGR-NUJGCVRESA-N 2 2 342.487 2.229 10 0 EEAELP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000623089512 469547802 /nfs/dbraw/zinc/54/78/02/469547802.db2.gz KOZLSPRFJFUTAY-UHFFFAOYSA-N 2 2 335.402 2.334 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)CC2 ZINC000623460601 469662378 /nfs/dbraw/zinc/66/23/78/469662378.db2.gz LPVGWSNDDGWOMC-CVEARBPZSA-N 2 2 342.443 2.300 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626923727 469755842 /nfs/dbraw/zinc/75/58/42/469755842.db2.gz ZZFHOJAYNBUQLK-KRWDZBQOSA-N 2 2 341.459 2.319 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSc1ccc(Cl)cc1 ZINC000617768577 469798445 /nfs/dbraw/zinc/79/84/45/469798445.db2.gz KFRMCVXGMMJOHD-UHFFFAOYSA-N 2 2 343.924 2.432 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSc1ccc(Cl)cc1 ZINC000617768577 469798447 /nfs/dbraw/zinc/79/84/47/469798447.db2.gz KFRMCVXGMMJOHD-UHFFFAOYSA-N 2 2 343.924 2.432 10 0 EEAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[N@@H+]1CC[C@H](O)C1 ZINC000624333233 469906751 /nfs/dbraw/zinc/90/67/51/469906751.db2.gz NIHQWFBFHOFDLA-HIFRSBDPSA-N 2 2 328.403 2.265 10 0 EEAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[N@H+]1CC[C@H](O)C1 ZINC000624333233 469906755 /nfs/dbraw/zinc/90/67/55/469906755.db2.gz NIHQWFBFHOFDLA-HIFRSBDPSA-N 2 2 328.403 2.265 10 0 EEAELP CC(C)(C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1c[nH+]c[nH]1 ZINC000621947765 470134810 /nfs/dbraw/zinc/13/48/10/470134810.db2.gz GKHBHPHRODELMX-UHFFFAOYSA-N 2 2 348.491 2.038 10 0 EEAELP Cc1scc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1C ZINC000631685372 470178077 /nfs/dbraw/zinc/17/80/77/470178077.db2.gz ZTDSIMXERQIQNZ-UHFFFAOYSA-N 2 2 337.533 2.251 10 0 EEAELP Cc1scc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1C ZINC000631685372 470178078 /nfs/dbraw/zinc/17/80/78/470178078.db2.gz ZTDSIMXERQIQNZ-UHFFFAOYSA-N 2 2 337.533 2.251 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N(Cc1ccccc1)C1CC1 ZINC000631886724 470189531 /nfs/dbraw/zinc/18/95/31/470189531.db2.gz JOLZJBAXGWXXST-HKUYNNGSSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N(Cc1ccccc1)C1CC1 ZINC000631886724 470189532 /nfs/dbraw/zinc/18/95/32/470189532.db2.gz JOLZJBAXGWXXST-HKUYNNGSSA-N 2 2 327.472 2.252 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631889870 470189738 /nfs/dbraw/zinc/18/97/38/470189738.db2.gz KMTQSTJNWPDZBI-SJLPKXTDSA-N 2 2 336.501 2.233 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631889870 470189739 /nfs/dbraw/zinc/18/97/39/470189739.db2.gz KMTQSTJNWPDZBI-SJLPKXTDSA-N 2 2 336.501 2.233 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631889871 470189788 /nfs/dbraw/zinc/18/97/88/470189788.db2.gz KMTQSTJNWPDZBI-WMZOPIPTSA-N 2 2 336.501 2.233 10 0 EEAELP Cc1ccc(S(=O)(=O)CCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631889871 470189789 /nfs/dbraw/zinc/18/97/89/470189789.db2.gz KMTQSTJNWPDZBI-WMZOPIPTSA-N 2 2 336.501 2.233 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000634707785 470282886 /nfs/dbraw/zinc/28/28/86/470282886.db2.gz LKNMXXBHWCDMEA-XFWGSAIBSA-N 2 2 332.488 2.151 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000634707785 470282887 /nfs/dbraw/zinc/28/28/87/470282887.db2.gz LKNMXXBHWCDMEA-XFWGSAIBSA-N 2 2 332.488 2.151 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@@H](C)c3[nH+]ccn3C)C2)cc1 ZINC000633359240 470437221 /nfs/dbraw/zinc/43/72/21/470437221.db2.gz YTNDJSATETZVAS-RDJZCZTQSA-N 2 2 341.459 2.363 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C)c3[nH+]ccn3C)C2)cc1 ZINC000633359240 470437225 /nfs/dbraw/zinc/43/72/25/470437225.db2.gz YTNDJSATETZVAS-RDJZCZTQSA-N 2 2 341.459 2.363 10 0 EEAELP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000643064085 470608202 /nfs/dbraw/zinc/60/82/02/470608202.db2.gz FLKDSQNXSLMNAK-YBQNFFGRSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000643064085 470608206 /nfs/dbraw/zinc/60/82/06/470608206.db2.gz FLKDSQNXSLMNAK-YBQNFFGRSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@@H+]1CCC12CCCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000649656009 470655955 /nfs/dbraw/zinc/65/59/55/470655955.db2.gz YQWSMQSBDCDTJP-UHFFFAOYSA-N 2 2 333.501 2.411 10 0 EEAELP O=C(C[N@H+]1CCC12CCCC2)N1CC[NH+](Cc2cccs2)CC1 ZINC000649656009 470655959 /nfs/dbraw/zinc/65/59/59/470655959.db2.gz YQWSMQSBDCDTJP-UHFFFAOYSA-N 2 2 333.501 2.411 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647339842 470885010 /nfs/dbraw/zinc/88/50/10/470885010.db2.gz BEXINFWGNSTDLS-IMFGXOCKSA-N 2 2 347.503 2.059 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647339842 470885018 /nfs/dbraw/zinc/88/50/18/470885018.db2.gz BEXINFWGNSTDLS-IMFGXOCKSA-N 2 2 347.503 2.059 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000647900866 471011248 /nfs/dbraw/zinc/01/12/48/471011248.db2.gz GGEVRJIEWVMLRM-KKUMJFAQSA-N 2 2 347.425 2.251 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000647900866 471011253 /nfs/dbraw/zinc/01/12/53/471011253.db2.gz GGEVRJIEWVMLRM-KKUMJFAQSA-N 2 2 347.425 2.251 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900960 471011594 /nfs/dbraw/zinc/01/15/94/471011594.db2.gz IATXVUFTBSNNGP-WDSOQIARSA-N 2 2 329.488 2.464 10 0 EEAELP Cc1ccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647900960 471011596 /nfs/dbraw/zinc/01/15/96/471011596.db2.gz IATXVUFTBSNNGP-WDSOQIARSA-N 2 2 329.488 2.464 10 0 EEAELP FC(F)(F)Cn1ccnc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657346079 471107189 /nfs/dbraw/zinc/10/71/89/471107189.db2.gz XBWHPZUDAOQVDB-UHFFFAOYSA-N 2 2 336.321 2.316 10 0 EEAELP CS(=O)(=O)CC1(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000657545767 471165942 /nfs/dbraw/zinc/16/59/42/471165942.db2.gz HQVLQBOURRSDFZ-UHFFFAOYSA-N 2 2 333.457 2.177 10 0 EEAELP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000657802346 471236206 /nfs/dbraw/zinc/23/62/06/471236206.db2.gz ZAEJZHCYNKXZAP-VAMGGRTRSA-N 2 2 331.504 2.350 10 0 EEAELP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000657802346 471236208 /nfs/dbraw/zinc/23/62/08/471236208.db2.gz ZAEJZHCYNKXZAP-VAMGGRTRSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000655736273 471461600 /nfs/dbraw/zinc/46/16/00/471461600.db2.gz FCTJFEYPJYXCRE-HNAYVOBHSA-N 2 2 341.459 2.171 10 0 EEAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000655748027 471467674 /nfs/dbraw/zinc/46/76/74/471467674.db2.gz NBUYVAOALLNKON-OALUTQOASA-N 2 2 332.492 2.077 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000653077911 471475293 /nfs/dbraw/zinc/47/52/93/471475293.db2.gz OKZRBKDDYNLAOS-QGZVFWFLSA-N 2 2 347.409 2.449 10 0 EEAELP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)C(F)(F)F ZINC000656267485 471661792 /nfs/dbraw/zinc/66/17/92/471661792.db2.gz XPTAVTRNTACSCJ-CYBMUJFWSA-N 2 2 349.378 2.305 10 0 EEAELP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@@H](O)C(F)(F)F ZINC000656267485 471661795 /nfs/dbraw/zinc/66/17/95/471661795.db2.gz XPTAVTRNTACSCJ-CYBMUJFWSA-N 2 2 349.378 2.305 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000670078625 471672128 /nfs/dbraw/zinc/67/21/28/471672128.db2.gz LZZPUCYBVHKXQV-UHFFFAOYSA-N 2 2 333.480 2.346 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000670078625 471672132 /nfs/dbraw/zinc/67/21/32/471672132.db2.gz LZZPUCYBVHKXQV-UHFFFAOYSA-N 2 2 333.480 2.346 10 0 EEAELP C[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)c1[nH+]ccn1C ZINC000667248640 471708307 /nfs/dbraw/zinc/70/83/07/471708307.db2.gz CGLOAMJVMIPFTJ-IUODEOHRSA-N 2 2 333.411 2.222 10 0 EEAELP Cc1csc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)n1 ZINC000667501295 471801843 /nfs/dbraw/zinc/80/18/43/471801843.db2.gz TZCDFIIUHHHLNR-UHFFFAOYSA-N 2 2 340.456 2.354 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000654067937 471827251 /nfs/dbraw/zinc/82/72/51/471827251.db2.gz LAQVZYCZPFJJHE-JQHSSLGASA-N 2 2 347.528 2.233 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661705789 471857629 /nfs/dbraw/zinc/85/76/29/471857629.db2.gz XJQCQUPBAPKZMS-ZXYWRSMDSA-N 2 2 340.427 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661705789 471857634 /nfs/dbraw/zinc/85/76/34/471857634.db2.gz XJQCQUPBAPKZMS-ZXYWRSMDSA-N 2 2 340.427 2.372 10 0 EEAELP CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000667666595 471860198 /nfs/dbraw/zinc/86/01/98/471860198.db2.gz SDUFZGBKNMYSLE-QZTJIDSGSA-N 2 2 342.443 2.019 10 0 EEAELP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667774957 471899869 /nfs/dbraw/zinc/89/98/69/471899869.db2.gz XMTZBCGGNPNTDP-AZUAARDMSA-N 2 2 329.488 2.356 10 0 EEAELP c1cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667968064 471966697 /nfs/dbraw/zinc/96/66/97/471966697.db2.gz DZTQBSUTOMGQGX-INIZCTEOSA-N 2 2 342.443 2.285 10 0 EEAELP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000668419214 472122449 /nfs/dbraw/zinc/12/24/49/472122449.db2.gz XXGXVFQHVICWJC-AWEZNQCLSA-N 2 2 342.443 2.484 10 0 EEAELP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000668419214 472122452 /nfs/dbraw/zinc/12/24/52/472122452.db2.gz XXGXVFQHVICWJC-AWEZNQCLSA-N 2 2 342.443 2.484 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000668792860 472268788 /nfs/dbraw/zinc/26/87/88/472268788.db2.gz MDWKYZVTBRRROW-UHFFFAOYSA-N 2 2 340.456 2.261 10 0 EEAELP CC(C)[C@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C1CC1 ZINC000662915476 472298853 /nfs/dbraw/zinc/29/88/53/472298853.db2.gz MWXQFMMYBYGXRR-OALUTQOASA-N 2 2 340.471 2.352 10 0 EEAELP COCc1n[nH]c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000658159084 485572665 /nfs/dbraw/zinc/57/26/65/485572665.db2.gz NHNUUSSLZAEIBY-LBPRGKRZSA-N 2 2 326.404 2.296 10 0 EEAELP CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000685717001 486177621 /nfs/dbraw/zinc/17/76/21/486177621.db2.gz MEOATXPIJQUWRZ-HZPDHXFCSA-N 2 2 333.476 2.289 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676593608 486262348 /nfs/dbraw/zinc/26/23/48/486262348.db2.gz HZXBVEUNINNKSM-UHFFFAOYSA-N 2 2 339.403 2.326 10 0 EEAELP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccco1 ZINC000677362271 486422585 /nfs/dbraw/zinc/42/25/85/486422585.db2.gz VGVIHOIRQIHHKZ-VPSFDDGASA-N 2 2 331.460 2.153 10 0 EEAELP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccco1 ZINC000677362271 486422589 /nfs/dbraw/zinc/42/25/89/486422589.db2.gz VGVIHOIRQIHHKZ-VPSFDDGASA-N 2 2 331.460 2.153 10 0 EEAELP CC[C@@H](C)n1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682900513 486580899 /nfs/dbraw/zinc/58/08/99/486580899.db2.gz VAQMELFMKMPATB-GDBMZVCRSA-N 2 2 347.507 2.061 10 0 EEAELP CC[C@@H](C)n1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1C ZINC000682900513 486580901 /nfs/dbraw/zinc/58/09/01/486580901.db2.gz VAQMELFMKMPATB-GDBMZVCRSA-N 2 2 347.507 2.061 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)C3CC[NH+](C)CC3)c2cc1C ZINC000678586475 486646403 /nfs/dbraw/zinc/64/64/03/486646403.db2.gz HJFAZQVUQVUTSE-FUHWJXTLSA-N 3 2 344.503 2.334 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000120754814 490617228 /nfs/dbraw/zinc/61/72/28/490617228.db2.gz ZLHMACCLZLCZIJ-WCQYABFASA-N 2 2 347.850 2.412 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[N@H+]1C1CC1 ZINC000120754814 490617234 /nfs/dbraw/zinc/61/72/34/490617234.db2.gz ZLHMACCLZLCZIJ-WCQYABFASA-N 2 2 347.850 2.412 10 0 EEAELP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000110981530 535492934 /nfs/dbraw/zinc/49/29/34/535492934.db2.gz OPLICLWVDPFUEE-CQSZACIVSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](CC)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000110981530 535492941 /nfs/dbraw/zinc/49/29/41/535492941.db2.gz OPLICLWVDPFUEE-CQSZACIVSA-N 2 2 339.430 2.387 10 0 EEAELP CC[C@@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000245754892 535865258 /nfs/dbraw/zinc/86/52/58/535865258.db2.gz OLFZRQXBFVWVBK-FUHWJXTLSA-N 2 2 342.487 2.458 10 0 EEAELP CC[C@@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@H+]1C[C@H](C)O ZINC000245754892 535865267 /nfs/dbraw/zinc/86/52/67/535865267.db2.gz OLFZRQXBFVWVBK-FUHWJXTLSA-N 2 2 342.487 2.458 10 0 EEAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccnn1C1CCC1 ZINC000924903915 681380976 /nfs/dbraw/zinc/38/09/76/681380976.db2.gz YCDZONPOJXMUIU-YJBOKZPZSA-N 2 2 347.507 2.201 10 0 EEAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccnn1C1CCC1 ZINC000924903915 681380980 /nfs/dbraw/zinc/38/09/80/681380980.db2.gz YCDZONPOJXMUIU-YJBOKZPZSA-N 2 2 347.507 2.201 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccn4ccccc34)CC2)CC1 ZINC000896004899 684800947 /nfs/dbraw/zinc/80/09/47/684800947.db2.gz SIKXHBPSKNPTLA-UHFFFAOYSA-N 2 2 340.471 2.228 10 0 EEAELP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccnnc3)cc2)CC1 ZINC000924691045 693169252 /nfs/dbraw/zinc/16/92/52/693169252.db2.gz ANTFWOMUUXSHKK-QGZVFWFLSA-N 2 2 339.487 2.465 10 0 EEAELP CC(C)(C)OC(=O)N1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CO1 ZINC000927045380 693208540 /nfs/dbraw/zinc/20/85/40/693208540.db2.gz SDLGNCQXAFVDHE-HNNXBMFYSA-N 2 2 325.453 2.001 10 0 EEAELP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@H]2CCn3c[nH+]cc32)cc1 ZINC000898811383 693465485 /nfs/dbraw/zinc/46/54/85/693465485.db2.gz SMOSNPYYMIPAFL-DOTOQJQBSA-N 2 2 328.416 2.192 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001485687563 1191897651 /nfs/dbraw/zinc/89/76/51/1191897651.db2.gz ICWARKMVZTUUGH-BRWVUGGUSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)CCC[NH2+][C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266414554 1176505476 /nfs/dbraw/zinc/50/54/76/1176505476.db2.gz DYCJJVDZEJGCKL-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]C/C=C\c1ccccc1 ZINC001266869611 1177642896 /nfs/dbraw/zinc/64/28/96/1177642896.db2.gz BZYYVKOJALDORQ-HWYHOQROSA-N 2 2 326.444 2.350 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]C/C=C\c1ccccc1 ZINC001266869611 1177642901 /nfs/dbraw/zinc/64/29/01/1177642901.db2.gz BZYYVKOJALDORQ-HWYHOQROSA-N 2 2 326.444 2.350 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCc1ccsc1 ZINC001266948815 1177874994 /nfs/dbraw/zinc/87/49/94/1177874994.db2.gz LQWUDEBIZGXBSR-GDBMZVCRSA-N 2 2 346.500 2.234 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H](C[NH2+]CCC2CC2)C1 ZINC001691360681 1177963623 /nfs/dbraw/zinc/96/36/23/1177963623.db2.gz ILDFYVNXVGQAFC-NJAFHUGGSA-N 2 2 344.503 2.462 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001691450512 1178845697 /nfs/dbraw/zinc/84/56/97/1178845697.db2.gz WOTUKUBFNJFUCM-ZACQAIPSSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]Cc1nc2ccccc2o1)n1cc[nH+]c1 ZINC001267433903 1179001733 /nfs/dbraw/zinc/00/17/33/1179001733.db2.gz NQWZZOKJNLPSAS-CQSZACIVSA-N 2 2 341.415 2.224 10 0 EEAELP Cc1csc(C[NH2+]CCN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001267473219 1179104223 /nfs/dbraw/zinc/10/42/23/1179104223.db2.gz CXWCBEFKCVTYRC-KRWDZBQOSA-N 2 2 346.500 2.302 10 0 EEAELP C[C@H]([NH2+]CCCF)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001267489455 1179160919 /nfs/dbraw/zinc/16/09/19/1179160919.db2.gz RXGJJYNAPMQUSS-HOCLYGCPSA-N 2 2 336.455 2.022 10 0 EEAELP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125131 1179825317 /nfs/dbraw/zinc/82/53/17/1179825317.db2.gz AAWUAANPYQOOME-CABCVRRESA-N 2 2 330.407 2.222 10 0 EEAELP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125131 1179825325 /nfs/dbraw/zinc/82/53/25/1179825325.db2.gz AAWUAANPYQOOME-CABCVRRESA-N 2 2 330.407 2.222 10 0 EEAELP Cc1ncc(C[NH2+]CCC2CCN(C(=O)CCc3c[nH]c[nH+]3)CC2)o1 ZINC001267909620 1180746880 /nfs/dbraw/zinc/74/68/80/1180746880.db2.gz WHTHLAFMWOAFPO-UHFFFAOYSA-N 2 2 345.447 2.057 10 0 EEAELP Cc1ncc(C[NH2+]CCC2CCN(C(=O)CCc3c[nH+]c[nH]3)CC2)o1 ZINC001267909620 1180746885 /nfs/dbraw/zinc/74/68/85/1180746885.db2.gz WHTHLAFMWOAFPO-UHFFFAOYSA-N 2 2 345.447 2.057 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC[C@@H](C)F ZINC001481350310 1181092873 /nfs/dbraw/zinc/09/28/73/1181092873.db2.gz KMWHVTGVTBRSKL-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC[C@@H](C)F ZINC001481350310 1181092877 /nfs/dbraw/zinc/09/28/77/1181092877.db2.gz KMWHVTGVTBRSKL-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP CCCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481437677 1181341362 /nfs/dbraw/zinc/34/13/62/1181341362.db2.gz XERMXCGQWAXMGE-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP CCCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001481437677 1181341367 /nfs/dbraw/zinc/34/13/67/1181341367.db2.gz XERMXCGQWAXMGE-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001481463558 1181469472 /nfs/dbraw/zinc/46/94/72/1181469472.db2.gz HPKFOYBCHFIWOV-CABCVRRESA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001481463558 1181469475 /nfs/dbraw/zinc/46/94/75/1181469475.db2.gz HPKFOYBCHFIWOV-CABCVRRESA-N 2 2 340.418 2.147 10 0 EEAELP C[N@H+](CCC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481490194 1181553728 /nfs/dbraw/zinc/55/37/28/1181553728.db2.gz DAMMAQCPRKHHRZ-IAGOWNOFSA-N 2 2 330.476 2.026 10 0 EEAELP C[N@@H+](CCC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481490194 1181553730 /nfs/dbraw/zinc/55/37/30/1181553730.db2.gz DAMMAQCPRKHHRZ-IAGOWNOFSA-N 2 2 330.476 2.026 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC=C(C)C ZINC001268275603 1182130159 /nfs/dbraw/zinc/13/01/59/1182130159.db2.gz AUTOTTXAZFSDEO-NVXWUHKLSA-N 2 2 331.460 2.473 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@H+]2C/C=C\Cl ZINC001481684523 1182205211 /nfs/dbraw/zinc/20/52/11/1182205211.db2.gz PRGXIFSYXLRFKL-BNOHMRNQSA-N 2 2 325.884 2.290 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C/C=C\Cl ZINC001481684523 1182205215 /nfs/dbraw/zinc/20/52/15/1182205215.db2.gz PRGXIFSYXLRFKL-BNOHMRNQSA-N 2 2 325.884 2.290 10 0 EEAELP CCN(CC[NH2+]Cc1nc2ccccc2o1)C(=O)CCn1cc[nH+]c1 ZINC001268467032 1182801585 /nfs/dbraw/zinc/80/15/85/1182801585.db2.gz CULRAIGWWKRNJV-UHFFFAOYSA-N 2 2 341.415 2.053 10 0 EEAELP CC[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001481857466 1182806468 /nfs/dbraw/zinc/80/64/68/1182806468.db2.gz KSZNTSLQTCIKKA-WDEREUQCSA-N 2 2 333.263 2.021 10 0 EEAELP C[C@@H](C[NH2+]CCCC1CCOCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268694624 1183621234 /nfs/dbraw/zinc/62/12/34/1183621234.db2.gz DXTMXLFMGJOSHI-HNNXBMFYSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]CC3CCOCC3)ccn12 ZINC001268793222 1183709837 /nfs/dbraw/zinc/70/98/37/1183709837.db2.gz MCRSGZZISQTRMY-UHFFFAOYSA-N 2 2 344.459 2.121 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C[NH2+]CCOC(C)C)C3CC3)ccn12 ZINC001269071885 1183939439 /nfs/dbraw/zinc/93/94/39/1183939439.db2.gz SNMZUOCYRFNQKX-QGZVFWFLSA-N 2 2 344.459 2.166 10 0 EEAELP CC(C)=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001269622778 1184442693 /nfs/dbraw/zinc/44/26/93/1184442693.db2.gz NFFAIJGXYRPORZ-KXBFYZLASA-N 2 2 330.476 2.286 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001270210807 1184924406 /nfs/dbraw/zinc/92/44/06/1184924406.db2.gz AGBRUNGKOSZQKJ-QGZVFWFLSA-N 2 2 330.476 2.309 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001270229106 1184939920 /nfs/dbraw/zinc/93/99/20/1184939920.db2.gz XWTSYPWVIKBXLN-OIWWRSOPSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)CCc1c[nH+]cn1C ZINC001671256695 1185037028 /nfs/dbraw/zinc/03/70/28/1185037028.db2.gz JDXSKOMNFANLCM-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]CC[C@@H]1CCCO1 ZINC001270436027 1185097534 /nfs/dbraw/zinc/09/75/34/1185097534.db2.gz JNMIPJSNUPVPRN-HIFRSBDPSA-N 2 2 330.432 2.088 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]CCc1ccccc1 ZINC001270436259 1185097615 /nfs/dbraw/zinc/09/76/15/1185097615.db2.gz MBVFBNFQGVKPQU-WMZOPIPTSA-N 2 2 340.471 2.030 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482295797 1185162156 /nfs/dbraw/zinc/16/21/56/1185162156.db2.gz FMBKLYOSJYBVCD-HFBAOOFYSA-N 2 2 348.397 2.428 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482295797 1185162159 /nfs/dbraw/zinc/16/21/59/1185162159.db2.gz FMBKLYOSJYBVCD-HFBAOOFYSA-N 2 2 348.397 2.428 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001270579802 1185183680 /nfs/dbraw/zinc/18/36/80/1185183680.db2.gz XIDDZUAHSOOFIF-PPYMECGQSA-N 2 2 326.444 2.316 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001280308195 1185519821 /nfs/dbraw/zinc/51/98/21/1185519821.db2.gz QSTWFMGRSTURJW-BFTHVDOESA-N 2 2 331.247 2.030 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001482373911 1185544301 /nfs/dbraw/zinc/54/43/01/1185544301.db2.gz 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2.129 10 0 EEAELP CC/C(C)=C\C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCOC)CC1 ZINC001273598755 1280795955 /nfs/dbraw/zinc/79/59/55/1280795955.db2.gz HRLZTDSIGGWLQM-ZYWOSOCXSA-N 2 2 349.519 2.129 10 0 EEAELP CCC1([NH2+]CCOC(C)C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273763097 1285049860 /nfs/dbraw/zinc/04/98/60/1285049860.db2.gz OKRXDDYPWCYIEO-HZPDHXFCSA-N 2 2 348.491 2.299 10 0 EEAELP CCC1([NH2+]CCOC(C)C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273763097 1285049867 /nfs/dbraw/zinc/04/98/67/1285049867.db2.gz OKRXDDYPWCYIEO-HZPDHXFCSA-N 2 2 348.491 2.299 10 0 EEAELP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C=C1CC[NH2+]CC1 ZINC000852870725 1292223489 /nfs/dbraw/zinc/22/34/89/1292223489.db2.gz QMKTYAIGHOXFKR-UHFFFAOYSA-N 2 2 342.487 2.456 10 0 EEAELP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCc3c[nH]nc32)c2cccs2)CC1 ZINC000857845453 1293929314 /nfs/dbraw/zinc/92/93/14/1293929314.db2.gz JQLOILDEPJJFDF-JKSUJKDBSA-N 2 2 345.516 2.427 10 0 EEAELP CCO[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)C[NH+](C)C ZINC000926966432 1296971817 /nfs/dbraw/zinc/97/18/17/1296971817.db2.gz WPFYHKZIYIMFDV-LPHOPBHVSA-N 2 2 335.492 2.141 10 0 EEAELP CCOCCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001277001020 1300743554 /nfs/dbraw/zinc/74/35/54/1300743554.db2.gz GXEDPVGXHDCQAS-CTYIDZIISA-N 2 2 330.432 2.088 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cccc(Cl)n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001277327840 1302432952 /nfs/dbraw/zinc/43/29/52/1302432952.db2.gz DTTWCUXAWJMKRJ-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@@H](O)CCC[NH2+][C@H](C)CN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001277893852 1305028067 /nfs/dbraw/zinc/02/80/67/1305028067.db2.gz QLJURUQREWPQHD-HZPDHXFCSA-N 2 2 344.459 2.083 10 0 EEAELP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001278427230 1310222135 /nfs/dbraw/zinc/22/21/35/1310222135.db2.gz PWEMVYACLYCZRJ-YOEHRIQHSA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001278427230 1310222138 /nfs/dbraw/zinc/22/21/38/1310222138.db2.gz PWEMVYACLYCZRJ-YOEHRIQHSA-N 2 2 338.883 2.156 10 0 EEAELP O=C1[C@H]2CCC[C@H]2CN1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000840040924 1315281453 /nfs/dbraw/zinc/28/14/53/1315281453.db2.gz IBZIMXUUVMYDDN-OALUTQOASA-N 2 2 349.519 2.027 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@@H](C[NH2+]CCc2ccccc2F)C1 ZINC001278617557 1317378552 /nfs/dbraw/zinc/37/85/52/1317378552.db2.gz BRRHGUKLHCOBFC-WBVHZDCISA-N 2 2 344.434 2.139 10 0 EEAELP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](CCCCC(F)(F)F)C1 ZINC001671138534 1319895604 /nfs/dbraw/zinc/89/56/04/1319895604.db2.gz YVSRCVBSZIEXBJ-UHFFFAOYSA-N 2 2 335.414 2.346 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001265064349 1322902662 /nfs/dbraw/zinc/90/26/62/1322902662.db2.gz ZPKHJIUKNQWJOH-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[N@@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC001265064349 1322902664 /nfs/dbraw/zinc/90/26/64/1322902664.db2.gz ZPKHJIUKNQWJOH-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP CC(C)c1cccc(C[N@H+](C)CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001265076479 1322909385 /nfs/dbraw/zinc/90/93/85/1322909385.db2.gz WZPBLHZKYDUXPD-UHFFFAOYSA-N 2 2 329.448 2.040 10 0 EEAELP CC(C)c1cccc(C[N@@H+](C)CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001265076479 1322909386 /nfs/dbraw/zinc/90/93/86/1322909386.db2.gz WZPBLHZKYDUXPD-UHFFFAOYSA-N 2 2 329.448 2.040 10 0 EEAELP Cc1oncc1C[N@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265874403 1323447045 /nfs/dbraw/zinc/44/70/45/1323447045.db2.gz CGVGABSAOCGKKN-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP Cc1oncc1C[N@@H+](C)CCCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001265874403 1323447049 /nfs/dbraw/zinc/44/70/49/1323447049.db2.gz CGVGABSAOCGKKN-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1F ZINC001265877268 1323448739 /nfs/dbraw/zinc/44/87/39/1323448739.db2.gz DQZQWXJEKFGCGR-OAHLLOKOSA-N 2 2 344.434 2.223 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)Cc1ccccc1F ZINC001265877268 1323448741 /nfs/dbraw/zinc/44/87/41/1323448741.db2.gz DQZQWXJEKFGCGR-OAHLLOKOSA-N 2 2 344.434 2.223 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCC(F)(F)C1 ZINC001265944214 1323507161 /nfs/dbraw/zinc/50/71/61/1323507161.db2.gz ANZGQIULSLLZAC-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C[C@H]1CCCC(F)(F)C1 ZINC001265944214 1323507163 /nfs/dbraw/zinc/50/71/63/1323507163.db2.gz ANZGQIULSLLZAC-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCc2c1cccc2F ZINC001265945013 1323507771 /nfs/dbraw/zinc/50/77/71/1323507771.db2.gz XEQKFHKRRLFHQF-MRXNPFEDSA-N 2 2 330.407 2.217 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCc2c1cccc2F ZINC001265945013 1323507774 /nfs/dbraw/zinc/50/77/74/1323507774.db2.gz XEQKFHKRRLFHQF-MRXNPFEDSA-N 2 2 330.407 2.217 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ncc(Cl)s1 ZINC001266070029 1323625164 /nfs/dbraw/zinc/62/51/64/1323625164.db2.gz KTIHUYGINBGXQC-GFCCVEGCSA-N 2 2 344.912 2.219 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)Cc1ncc(Cl)s1 ZINC001266070029 1323625171 /nfs/dbraw/zinc/62/51/71/1323625171.db2.gz KTIHUYGINBGXQC-GFCCVEGCSA-N 2 2 344.912 2.219 10 0 EEAELP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)Cc1ncc(Cl)s1 ZINC001266070029 1323625178 /nfs/dbraw/zinc/62/51/78/1323625178.db2.gz KTIHUYGINBGXQC-GFCCVEGCSA-N 2 2 344.912 2.219 10 0 EEAELP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)Cc1ncc(Cl)s1 ZINC001266070029 1323625186 /nfs/dbraw/zinc/62/51/86/1323625186.db2.gz KTIHUYGINBGXQC-GFCCVEGCSA-N 2 2 344.912 2.219 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCC[NH2+]C[C@H]3CCOC3)ccn12 ZINC001283174674 1325944534 /nfs/dbraw/zinc/94/45/34/1325944534.db2.gz YQOQOMPVLFNBHY-GOEBONIOSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C)nc1C ZINC001283267903 1325980622 /nfs/dbraw/zinc/98/06/22/1325980622.db2.gz IDOPUEAKKBYCJL-ZDUSSCGKSA-N 2 2 343.475 2.347 10 0 EEAELP CCOCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001283983244 1326350190 /nfs/dbraw/zinc/35/01/90/1326350190.db2.gz RXHBQBKTICJOPV-YOEHRIQHSA-N 2 2 344.459 2.262 10 0 EEAELP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1F ZINC001492293875 1331172083 /nfs/dbraw/zinc/17/20/83/1331172083.db2.gz PCQKRXDUHXJRFK-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP C[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1F ZINC001492293875 1331172087 /nfs/dbraw/zinc/17/20/87/1331172087.db2.gz PCQKRXDUHXJRFK-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1F ZINC001492293875 1331172090 /nfs/dbraw/zinc/17/20/90/1331172090.db2.gz PCQKRXDUHXJRFK-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)Cc1ccc(F)cc1F ZINC001492293875 1331172097 /nfs/dbraw/zinc/17/20/97/1331172097.db2.gz PCQKRXDUHXJRFK-MRXNPFEDSA-N 2 2 339.430 2.387 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001316858059 1331587774 /nfs/dbraw/zinc/58/77/74/1331587774.db2.gz AUMOIRRKAMUWDQ-UXBLZVDNSA-N 2 2 326.444 2.114 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001316858059 1331587775 /nfs/dbraw/zinc/58/77/75/1331587775.db2.gz AUMOIRRKAMUWDQ-UXBLZVDNSA-N 2 2 326.444 2.114 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1nc(C)c(C)o1 ZINC001316869726 1331940040 /nfs/dbraw/zinc/94/00/40/1331940040.db2.gz JHYLENSFBSJGCH-MRXNPFEDSA-N 2 2 336.480 2.104 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1nc(C)c(C)o1 ZINC001316869726 1331940042 /nfs/dbraw/zinc/94/00/42/1331940042.db2.gz JHYLENSFBSJGCH-MRXNPFEDSA-N 2 2 336.480 2.104 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1nc(C)c(C)o1 ZINC001316869726 1331940047 /nfs/dbraw/zinc/94/00/47/1331940047.db2.gz JHYLENSFBSJGCH-MRXNPFEDSA-N 2 2 336.480 2.104 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1nc(C)c(C)o1 ZINC001316869726 1331940048 /nfs/dbraw/zinc/94/00/48/1331940048.db2.gz JHYLENSFBSJGCH-MRXNPFEDSA-N 2 2 336.480 2.104 10 0 EEAELP CC(C)OCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001316882199 1331948918 /nfs/dbraw/zinc/94/89/18/1331948918.db2.gz YGSKHCMSCBXUBW-SJORKVTESA-N 2 2 336.480 2.057 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCC1=CCCCC1 ZINC001317259165 1332156264 /nfs/dbraw/zinc/15/62/64/1332156264.db2.gz WSDOBOKEPFYXJT-WBVHZDCISA-N 2 2 330.476 2.430 10 0 EEAELP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001317602201 1332320207 /nfs/dbraw/zinc/32/02/07/1332320207.db2.gz OKRDHGYAIRKAIL-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001318807337 1332602811 /nfs/dbraw/zinc/60/28/11/1332602811.db2.gz YHTUTKVNVVMAFS-DLBZAZTESA-N 2 2 332.492 2.320 10 0 EEAELP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320469235 1332891324 /nfs/dbraw/zinc/89/13/24/1332891324.db2.gz NTSLAKFVXBYCMO-DOTOQJQBSA-N 2 2 330.476 2.430 10 0 EEAELP Cc1nc(C)c(C[NH2+]C/C=C/CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001321272072 1333060240 /nfs/dbraw/zinc/06/02/40/1333060240.db2.gz RKHGKYUUPWWJGI-IHVVCDCBSA-N 2 2 347.488 2.370 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCc1ccccc1Cl ZINC001324235629 1333640086 /nfs/dbraw/zinc/64/00/86/1333640086.db2.gz MNSMYEKEALJVKA-INIZCTEOSA-N 2 2 346.862 2.429 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001325916942 1333993552 /nfs/dbraw/zinc/99/35/52/1333993552.db2.gz ATYXNZMAKILVEL-IAGOWNOFSA-N 2 2 336.455 2.168 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCCF ZINC001325916942 1333993554 /nfs/dbraw/zinc/99/35/54/1333993554.db2.gz ATYXNZMAKILVEL-IAGOWNOFSA-N 2 2 336.455 2.168 10 0 EEAELP COCCCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001327879896 1334358643 /nfs/dbraw/zinc/35/86/43/1334358643.db2.gz HVWIMJDKHYDLNZ-DYVFJYSZSA-N 2 2 330.432 2.040 10 0 EEAELP CC(C)OCCC[N@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329473984 1334658358 /nfs/dbraw/zinc/65/83/58/1334658358.db2.gz GQKNKEYPCIBUQU-CQSZACIVSA-N 2 2 332.448 2.428 10 0 EEAELP CC(C)OCCC[N@@H+](C)[C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001329473984 1334658361 /nfs/dbraw/zinc/65/83/61/1334658361.db2.gz GQKNKEYPCIBUQU-CQSZACIVSA-N 2 2 332.448 2.428 10 0 EEAELP CCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001330208720 1334804236 /nfs/dbraw/zinc/80/42/36/1334804236.db2.gz GFIJGSSSATXXLR-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP CCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C(C)(C)C1 ZINC001330208720 1334804238 /nfs/dbraw/zinc/80/42/38/1334804238.db2.gz GFIJGSSSATXXLR-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C/C(=C/c1ccccn1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000847409211 1338037952 /nfs/dbraw/zinc/03/79/52/1338037952.db2.gz KOBCFWJUCSODIH-NXVVXOECSA-N 2 2 342.487 2.160 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)c1cc(F)ccc1F ZINC001436370190 1342056404 /nfs/dbraw/zinc/05/64/04/1342056404.db2.gz WKXLYGMNWKANMK-NFAWXSAZSA-N 2 2 348.397 2.407 10 0 EEAELP C[C@@H](CCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001676030748 1357092885 /nfs/dbraw/zinc/09/28/85/1357092885.db2.gz ZHMVMXMZXZYAOP-MAUKXSAKSA-N 2 2 326.444 2.445 10 0 EEAELP CCOCCC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570905647 1343137776 /nfs/dbraw/zinc/13/77/76/1343137776.db2.gz XIDAZNQNIANKFK-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCCC[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570905647 1343137778 /nfs/dbraw/zinc/13/77/78/1343137778.db2.gz XIDAZNQNIANKFK-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)co1 ZINC001677586908 1357364585 /nfs/dbraw/zinc/36/45/85/1357364585.db2.gz SARXYJFRWMLWGQ-UHFFFAOYSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)co1 ZINC001677586908 1357364590 /nfs/dbraw/zinc/36/45/90/1357364590.db2.gz SARXYJFRWMLWGQ-UHFFFAOYSA-N 2 2 346.475 2.106 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001656447833 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1355027381 /nfs/dbraw/zinc/02/73/81/1355027381.db2.gz KVPNNXGWHBHVNK-IBGZPJMESA-N 2 2 349.519 2.177 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]Cc1cccnc1 ZINC001667274066 1355695869 /nfs/dbraw/zinc/69/58/69/1355695869.db2.gz VYFPNWXMFBYMRG-GOSISDBHSA-N 2 2 341.459 2.229 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C/C[NH2+]CC[C@H]1CCc2ccccc21 ZINC001669063211 1356080514 /nfs/dbraw/zinc/08/05/14/1356080514.db2.gz GPHWQVMSVGMFPH-REMYHPOOSA-N 2 2 338.455 2.334 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)co1 ZINC001669207339 1356125608 /nfs/dbraw/zinc/12/56/08/1356125608.db2.gz LVYSZNZWAHNWLH-LKGOPFMKSA-N 2 2 342.443 2.048 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001669332472 1356146283 /nfs/dbraw/zinc/14/62/83/1356146283.db2.gz YRDPBUHEYRPOIP-AEFFLSMTSA-N 2 2 340.471 2.173 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001669407940 1356155916 /nfs/dbraw/zinc/15/59/16/1356155916.db2.gz OYDKTDHFPJDJEZ-CYBMUJFWSA-N 2 2 334.851 2.333 10 0 EEAELP CCCCC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001672879147 1356605615 /nfs/dbraw/zinc/60/56/15/1356605615.db2.gz HHDMZGBZRJGQBM-KRWDZBQOSA-N 2 2 339.524 2.116 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1COCC[NH+]1CC1=CCCCC1 ZINC001673048513 1356637573 /nfs/dbraw/zinc/63/75/73/1356637573.db2.gz FKCJFULTSLEICL-RTBURBONSA-N 2 2 349.519 2.178 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1COCC[NH+]1CC1=CCCCC1 ZINC001673048513 1356637579 /nfs/dbraw/zinc/63/75/79/1356637579.db2.gz FKCJFULTSLEICL-RTBURBONSA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001673048513 1356637583 /nfs/dbraw/zinc/63/75/83/1356637583.db2.gz FKCJFULTSLEICL-RTBURBONSA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001673048513 1356637587 /nfs/dbraw/zinc/63/75/87/1356637587.db2.gz FKCJFULTSLEICL-RTBURBONSA-N 2 2 349.519 2.178 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCCc1cccc(F)c1 ZINC001674735181 1356886124 /nfs/dbraw/zinc/88/61/24/1356886124.db2.gz ONWPPKDDLCSOMQ-UONOGXRCSA-N 2 2 332.423 2.207 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001675370048 1356971925 /nfs/dbraw/zinc/97/19/25/1356971925.db2.gz WZQAVTGLMZZUOR-CYBMUJFWSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(Cl)nc2)C1 ZINC001675370048 1356971926 /nfs/dbraw/zinc/97/19/26/1356971926.db2.gz WZQAVTGLMZZUOR-CYBMUJFWSA-N 2 2 338.883 2.012 10 0 EEAELP O=C(Cn1cc[nH+]c1)N(CC[NH2+]CC1CCC1)Cc1ccccc1 ZINC001699983415 1405625339 /nfs/dbraw/zinc/62/53/39/1405625339.db2.gz FMLIRWHLHUMICW-UHFFFAOYSA-N 2 2 326.444 2.302 10 0 EEAELP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907518917 784709612 /nfs/dbraw/zinc/70/96/12/784709612.db2.gz IHHCGLOATOUUCQ-QZTJIDSGSA-N 2 2 341.459 2.208 10 0 EEAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844309426 788977578 /nfs/dbraw/zinc/97/75/78/788977578.db2.gz LLAXFOFWVVHGFN-QGZVFWFLSA-N 2 2 331.460 2.470 10 0 EEAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844309426 788977583 /nfs/dbraw/zinc/97/75/83/788977583.db2.gz LLAXFOFWVVHGFN-QGZVFWFLSA-N 2 2 331.460 2.470 10 0 EEAELP O[C@@H](COc1ccccc1C(F)(F)F)C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000923383334 789467226 /nfs/dbraw/zinc/46/72/26/789467226.db2.gz YWZOESIYOVAGCX-CYBMUJFWSA-N 2 2 344.377 2.273 10 0 EEAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COc1ccccc1C(F)(F)F ZINC000923399670 789498629 /nfs/dbraw/zinc/49/86/29/789498629.db2.gz RGJOFYGPROXPLX-DOMZBBRYSA-N 2 2 344.377 2.319 10 0 EEAELP CCO[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C[NH+](C)C ZINC000922758717 801828881 /nfs/dbraw/zinc/82/88/81/801828881.db2.gz CJFUMRNLFPQGMG-ZDUSSCGKSA-N 2 2 328.840 2.168 10 0 EEAELP c1cc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)o2)n[nH]1 ZINC000788520385 807562743 /nfs/dbraw/zinc/56/27/43/807562743.db2.gz VEEISLIUBFVBAZ-MRXNPFEDSA-N 2 2 330.432 2.403 10 0 EEAELP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001565967947 1125476945 /nfs/dbraw/zinc/47/69/45/1125476945.db2.gz FWEKTEXEZZJELR-NUJGCVRESA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001566498087 1125664249 /nfs/dbraw/zinc/66/42/49/1125664249.db2.gz SQWUEKHRSAUAHY-MRXNPFEDSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001566498087 1125664256 /nfs/dbraw/zinc/66/42/56/1125664256.db2.gz SQWUEKHRSAUAHY-MRXNPFEDSA-N 2 2 336.480 2.186 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)CCc1ccc(Cl)cc1 ZINC001566521603 1125694002 /nfs/dbraw/zinc/69/40/02/1125694002.db2.gz VSWUREZICQCEMN-UHFFFAOYSA-N 2 2 334.851 2.217 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)CCc1ccc(Cl)cc1 ZINC001566521603 1125694008 /nfs/dbraw/zinc/69/40/08/1125694008.db2.gz VSWUREZICQCEMN-UHFFFAOYSA-N 2 2 334.851 2.217 10 0 EEAELP C[C@@H]([NH2+]CCC1CCOCC1)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001436668346 1088104969 /nfs/dbraw/zinc/10/49/69/1088104969.db2.gz NLAPAGWUSXGCED-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1C ZINC001437160192 1089168584 /nfs/dbraw/zinc/16/85/84/1089168584.db2.gz BLKNEJRMSRNEKJ-FUHWJXTLSA-N 2 2 340.471 2.357 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H]([NH2+]CC[C@@H](C)F)C3)[nH+]c12 ZINC001437282916 1089436198 /nfs/dbraw/zinc/43/61/98/1089436198.db2.gz MCQOJJCRBBVQBF-CABCVRRESA-N 2 2 332.423 2.124 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NCC[NH+](C)Cc1cncs1)c1ccccc1 ZINC001437541357 1089992480 /nfs/dbraw/zinc/99/24/80/1089992480.db2.gz DIFLZECGYFXZRA-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+](C)Cc1cncs1)c1ccccc1 ZINC001437541357 1089992487 /nfs/dbraw/zinc/99/24/87/1089992487.db2.gz DIFLZECGYFXZRA-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NCC[N@H+](C)Cc1cncs1)c1ccccc1 ZINC001437541357 1089992498 /nfs/dbraw/zinc/99/24/98/1089992498.db2.gz DIFLZECGYFXZRA-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)Cc1cncs1)c1ccccc1 ZINC001437541357 1089992504 /nfs/dbraw/zinc/99/25/04/1089992504.db2.gz DIFLZECGYFXZRA-QGZVFWFLSA-N 2 2 346.500 2.384 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001438238038 1090717961 /nfs/dbraw/zinc/71/79/61/1090717961.db2.gz XWXHUCGUDWRHMI-SJORKVTESA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001438238038 1090717963 /nfs/dbraw/zinc/71/79/63/1090717963.db2.gz XWXHUCGUDWRHMI-SJORKVTESA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccc(C)nc1C ZINC001438296356 1090777288 /nfs/dbraw/zinc/77/72/88/1090777288.db2.gz CUCKPYWYUGJOGN-MRXNPFEDSA-N 2 2 329.448 2.039 10 0 EEAELP CC[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccc(C)nc1C ZINC001438296356 1090777294 /nfs/dbraw/zinc/77/72/94/1090777294.db2.gz CUCKPYWYUGJOGN-MRXNPFEDSA-N 2 2 329.448 2.039 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(F)c1F)n1cc[nH+]c1 ZINC001445615368 1091409826 /nfs/dbraw/zinc/40/98/26/1091409826.db2.gz IGAIFCVIFDROBP-QWHCGFSZSA-N 2 2 336.386 2.407 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CCC(F)(F)F ZINC001438807480 1091417604 /nfs/dbraw/zinc/41/76/04/1091417604.db2.gz QCFDLGIXHKLDPH-JSGCOSHPSA-N 2 2 346.397 2.128 10 0 EEAELP Cc1ccc(F)c(C[N@@H+](C)C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445850076 1091760981 /nfs/dbraw/zinc/76/09/81/1091760981.db2.gz GIFVFVRHKJWXLK-CQSZACIVSA-N 2 2 332.423 2.047 10 0 EEAELP Cc1ccc(F)c(C[N@H+](C)C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445850076 1091760984 /nfs/dbraw/zinc/76/09/84/1091760984.db2.gz GIFVFVRHKJWXLK-CQSZACIVSA-N 2 2 332.423 2.047 10 0 EEAELP C[C@@H](C[N@H+](C)[C@H]1CCc2c1cc(F)cc2F)NC(=O)Cn1cc[nH+]c1 ZINC001445863290 1091782416 /nfs/dbraw/zinc/78/24/16/1091782416.db2.gz CMHRYWAZGMYRNP-SJCJKPOMSA-N 2 2 348.397 2.285 10 0 EEAELP C[C@@H](C[N@@H+](C)[C@H]1CCc2c1cc(F)cc2F)NC(=O)Cn1cc[nH+]c1 ZINC001445863290 1091782424 /nfs/dbraw/zinc/78/24/24/1091782424.db2.gz CMHRYWAZGMYRNP-SJCJKPOMSA-N 2 2 348.397 2.285 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C[NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001445957565 1091904024 /nfs/dbraw/zinc/90/40/24/1091904024.db2.gz GLQUMRJJTUAZNW-KRWDZBQOSA-N 2 2 348.397 2.154 10 0 EEAELP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001439338811 1092037099 /nfs/dbraw/zinc/03/70/99/1092037099.db2.gz LVIMSLIWDJOROJ-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001439338811 1092037106 /nfs/dbraw/zinc/03/71/06/1092037106.db2.gz LVIMSLIWDJOROJ-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cncc(C[N@H+]2CC[C@@H]2CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001446130322 1092178272 /nfs/dbraw/zinc/17/82/72/1092178272.db2.gz QYRDYQBFDPQKNH-MOPGFXCFSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cncc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001446130322 1092178277 /nfs/dbraw/zinc/17/82/77/1092178277.db2.gz QYRDYQBFDPQKNH-MOPGFXCFSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@@H+]2CC2CC(F)(F)C2)c[nH+]1 ZINC001439533690 1092393782 /nfs/dbraw/zinc/39/37/82/1092393782.db2.gz GIVQKEUNVTXTBT-CQSZACIVSA-N 2 2 340.418 2.162 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CC[N@H+]2CC2CC(F)(F)C2)c[nH+]1 ZINC001439533690 1092393788 /nfs/dbraw/zinc/39/37/88/1092393788.db2.gz GIVQKEUNVTXTBT-CQSZACIVSA-N 2 2 340.418 2.162 10 0 EEAELP CC[C@H](F)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001439718195 1092678601 /nfs/dbraw/zinc/67/86/01/1092678601.db2.gz PKBXYJLTIDPULR-WMZOPIPTSA-N 2 2 336.455 2.336 10 0 EEAELP CC[C@H](F)C[N@H+]1CC[C@]2(CCN(C(=O)CCCn3cc[nH+]c3)C2)C1 ZINC001439718195 1092678606 /nfs/dbraw/zinc/67/86/06/1092678606.db2.gz PKBXYJLTIDPULR-WMZOPIPTSA-N 2 2 336.455 2.336 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)CC[N@@H+]1CC[C@H](F)C1)c1ccccc1Cl ZINC001440374207 1093542516 /nfs/dbraw/zinc/54/25/16/1093542516.db2.gz KROYEMZQKKOLRC-XJKSGUPXSA-N 2 2 341.858 2.493 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)CC[N@H+]1CC[C@H](F)C1)c1ccccc1Cl ZINC001440374207 1093542523 /nfs/dbraw/zinc/54/25/23/1093542523.db2.gz KROYEMZQKKOLRC-XJKSGUPXSA-N 2 2 341.858 2.493 10 0 EEAELP CC(C)[C@@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@H]1CCOC1 ZINC001448557410 1093602455 /nfs/dbraw/zinc/60/24/55/1093602455.db2.gz GHBGDDWFNCNIFD-GDBMZVCRSA-N 2 2 344.459 2.334 10 0 EEAELP CN(CCC[N@H+](C)CCC(F)(F)F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001440467155 1093692240 /nfs/dbraw/zinc/69/22/40/1093692240.db2.gz IZRWBPPLTHRZCX-UHFFFAOYSA-N 2 2 334.386 2.420 10 0 EEAELP CN(CCC[N@@H+](C)CCC(F)(F)F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001440467155 1093692244 /nfs/dbraw/zinc/69/22/44/1093692244.db2.gz IZRWBPPLTHRZCX-UHFFFAOYSA-N 2 2 334.386 2.420 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001440492934 1093730837 /nfs/dbraw/zinc/73/08/37/1093730837.db2.gz DURCZBCXURBVON-RYRKJORJSA-N 2 2 332.492 2.461 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@H]1C ZINC001440492934 1093730840 /nfs/dbraw/zinc/73/08/40/1093730840.db2.gz DURCZBCXURBVON-RYRKJORJSA-N 2 2 332.492 2.461 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001448672489 1093740646 /nfs/dbraw/zinc/74/06/46/1093740646.db2.gz LTIOISLIJDXBNM-LERXQTSPSA-N 2 2 347.488 2.223 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC001448672489 1093740647 /nfs/dbraw/zinc/74/06/47/1093740647.db2.gz LTIOISLIJDXBNM-LERXQTSPSA-N 2 2 347.488 2.223 10 0 EEAELP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001448687366 1093750635 /nfs/dbraw/zinc/75/06/35/1093750635.db2.gz VVMIELIOJUFRGQ-DZGCQCFKSA-N 2 2 344.459 2.428 10 0 EEAELP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cscn2)CC1(C)C)[NH+](C)C ZINC001440630676 1093900907 /nfs/dbraw/zinc/90/09/07/1093900907.db2.gz SEHZIBXZIAATMU-HUUCEWRRSA-N 2 2 338.521 2.200 10 0 EEAELP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2cscn2)CC1(C)C)[NH+](C)C ZINC001440630676 1093900911 /nfs/dbraw/zinc/90/09/11/1093900911.db2.gz SEHZIBXZIAATMU-HUUCEWRRSA-N 2 2 338.521 2.200 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1C[C@@H]([NH2+]C/C(Cl)=C\Cl)C(C)(C)C1 ZINC001449095171 1094105967 /nfs/dbraw/zinc/10/59/67/1094105967.db2.gz YMMFMTCIUDAXPT-HQIZRNBFSA-N 2 2 345.274 2.108 10 0 EEAELP Cc1ncc(C[NH+]2CC([C@@H](C)NC(=O)CCCn3cc[nH+]c3)C2)s1 ZINC001441217475 1094582570 /nfs/dbraw/zinc/58/25/70/1094582570.db2.gz XICBZBCIVAISKF-CYBMUJFWSA-N 2 2 347.488 2.065 10 0 EEAELP CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001441226662 1094599925 /nfs/dbraw/zinc/59/99/25/1094599925.db2.gz MGTUQVSPBMQRHS-MJGOQNOKSA-N 2 2 348.491 2.184 10 0 EEAELP CCC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@@H](CC(C)C)n3cc[nH+]c3)C2)C1 ZINC001441226662 1094599935 /nfs/dbraw/zinc/59/99/35/1094599935.db2.gz MGTUQVSPBMQRHS-MJGOQNOKSA-N 2 2 348.491 2.184 10 0 EEAELP COc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001441588392 1095411783 /nfs/dbraw/zinc/41/17/83/1095411783.db2.gz FLCKQDHCIBCEQK-LSDHHAIUSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001441588392 1095411790 /nfs/dbraw/zinc/41/17/90/1095411790.db2.gz FLCKQDHCIBCEQK-LSDHHAIUSA-N 2 2 344.459 2.234 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001441637623 1095546861 /nfs/dbraw/zinc/54/68/61/1095546861.db2.gz ISPSOXLJJPJIJC-ZDUSSCGKSA-N 2 2 349.504 2.274 10 0 EEAELP CCCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001441638719 1095547887 /nfs/dbraw/zinc/54/78/87/1095547887.db2.gz JQYXBSHZILOSTC-INIZCTEOSA-N 2 2 328.460 2.472 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001441950351 1096152271 /nfs/dbraw/zinc/15/22/71/1096152271.db2.gz SWJNBNQIFFWSGQ-ILXRZTDVSA-N 2 2 336.480 2.123 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC001441950351 1096152277 /nfs/dbraw/zinc/15/22/77/1096152277.db2.gz SWJNBNQIFFWSGQ-ILXRZTDVSA-N 2 2 336.480 2.123 10 0 EEAELP 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ZINC001442421467 1096745804 /nfs/dbraw/zinc/74/58/04/1096745804.db2.gz JPXOIUCUMYVZBC-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C[C@H]1CCCC(F)(F)C1 ZINC001442421467 1096745806 /nfs/dbraw/zinc/74/58/06/1096745806.db2.gz JPXOIUCUMYVZBC-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C[C@H]1CCCC(F)(F)C1 ZINC001442421467 1096745821 /nfs/dbraw/zinc/74/58/21/1096745821.db2.gz JPXOIUCUMYVZBC-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP Cc1cc(C)c(C(=O)NCC[N@@H+](C)C[C@@H]2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC001442478545 1096807286 /nfs/dbraw/zinc/80/72/86/1096807286.db2.gz CIZHVYAMPUYVDQ-DOTOQJQBSA-N 2 2 333.476 2.484 10 0 EEAELP Cc1cc(C)c(C(=O)NCC[N@H+](C)C[C@@H]2CCO[C@@H](C)C2)c(C)[nH+]1 ZINC001442478545 1096807297 /nfs/dbraw/zinc/80/72/97/1096807297.db2.gz CIZHVYAMPUYVDQ-DOTOQJQBSA-N 2 2 333.476 2.484 10 0 EEAELP O=C(c1ccc(C[NH+]2CCCC2)o1)N1CC(Oc2cc[nH+]cc2)C1 ZINC001443395128 1097905429 /nfs/dbraw/zinc/90/54/29/1097905429.db2.gz SLTUCVRLGXFGIX-UHFFFAOYSA-N 2 2 327.384 2.174 10 0 EEAELP C[C@@H](c1ccc(F)cc1F)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443609206 1098103639 /nfs/dbraw/zinc/10/36/39/1098103639.db2.gz NRAXIULADJDUOB-LBPRGKRZSA-N 2 2 325.403 2.026 10 0 EEAELP Cc1cnc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001479479549 1098558694 /nfs/dbraw/zinc/55/86/94/1098558694.db2.gz VQSPOGVUHBEEIC-VNQPRFMTSA-N 2 2 345.447 2.205 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001444380629 1098964644 /nfs/dbraw/zinc/96/46/44/1098964644.db2.gz POYQSUVDMBTEBR-UONOGXRCSA-N 2 2 343.475 2.142 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001444380629 1098964657 /nfs/dbraw/zinc/96/46/57/1098964657.db2.gz POYQSUVDMBTEBR-UONOGXRCSA-N 2 2 343.475 2.142 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CC1CC2(CCC2)C1 ZINC001479780634 1098966168 /nfs/dbraw/zinc/96/61/68/1098966168.db2.gz LYNLPFHBVHUTGB-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP 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CCOCC[N@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001506960365 1115008700 /nfs/dbraw/zinc/00/87/00/1115008700.db2.gz ADPTVZCCSDJGJF-UHFFFAOYSA-N 2 2 330.432 2.136 10 0 EEAELP CCOCC[N@@H+](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001506960365 1115008701 /nfs/dbraw/zinc/00/87/01/1115008701.db2.gz ADPTVZCCSDJGJF-UHFFFAOYSA-N 2 2 330.432 2.136 10 0 EEAELP CCc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001507130359 1115124170 /nfs/dbraw/zinc/12/41/70/1115124170.db2.gz UEJURSNWTFWHIW-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1ncc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001507326394 1115193905 /nfs/dbraw/zinc/19/39/05/1115193905.db2.gz UWWHLYWCIUEFAT-CZUORRHYSA-N 2 2 345.447 2.047 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1F ZINC001508243515 1115458311 /nfs/dbraw/zinc/45/83/11/1115458311.db2.gz VQNGULOQTKIBCT-UHFFFAOYSA-N 2 2 344.434 2.308 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC1(C[NH2+]CCC2CC2)CCCC1 ZINC001568005495 1124226859 /nfs/dbraw/zinc/22/68/59/1124226859.db2.gz LDWYEKRJYQHDBN-HZPDHXFCSA-N 2 2 330.476 2.342 10 0 EEAELP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001568022649 1124234702 /nfs/dbraw/zinc/23/47/02/1124234702.db2.gz CCLZAUSKMOWTBD-HNAYVOBHSA-N 2 2 330.476 2.286 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001568535605 1124597122 /nfs/dbraw/zinc/59/71/22/1124597122.db2.gz FWVPLGZZVNPFMV-BBRMVZONSA-N 2 2 332.473 2.131 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001568539593 1124600888 /nfs/dbraw/zinc/60/08/88/1124600888.db2.gz CREFADIICPHWFD-NEPJUHHUSA-N 2 2 345.274 2.454 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568645549 1124657358 /nfs/dbraw/zinc/65/73/58/1124657358.db2.gz IFDXCHZFQSUFHZ-LBPRGKRZSA-N 2 2 341.390 2.395 10 0 EEAELP Cc1cncc(C[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001569244409 1125190653 /nfs/dbraw/zinc/19/06/53/1125190653.db2.gz NHLMWQMYOYLLST-MRXNPFEDSA-N 2 2 329.448 2.176 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)sc1C ZINC001569247343 1125192651 /nfs/dbraw/zinc/19/26/51/1125192651.db2.gz MHZHTWRRANOAJD-GFCCVEGCSA-N 2 2 349.504 2.300 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001565865132 1125443303 /nfs/dbraw/zinc/44/33/03/1125443303.db2.gz ASTDJDDADWDYOA-WKILWMFISA-N 2 2 330.476 2.213 10 0 EEAELP Cc1nc(N2CC[NH+](Cc3nc4ccccc4nc3C)CC2)cc[nH+]1 ZINC000183783709 539598605 /nfs/dbraw/zinc/59/86/05/539598605.db2.gz RHJSJLSJNSMRFI-UHFFFAOYSA-N 2 2 334.427 2.359 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189548780 539628569 /nfs/dbraw/zinc/62/85/69/539628569.db2.gz VAONHBAWNNTILD-RDJZCZTQSA-N 2 2 334.370 2.182 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)[C@@H]1c1ccc(F)c(F)c1 ZINC000189548780 539628573 /nfs/dbraw/zinc/62/85/73/539628573.db2.gz VAONHBAWNNTILD-RDJZCZTQSA-N 2 2 334.370 2.182 10 0 EEAELP CCc1nn(C)cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190475532 539633856 /nfs/dbraw/zinc/63/38/56/539633856.db2.gz AOZMKQNRAAONCS-QGZVFWFLSA-N 2 2 327.476 2.331 10 0 EEAELP CCc1nn(C)cc1C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000190475532 539633860 /nfs/dbraw/zinc/63/38/60/539633860.db2.gz AOZMKQNRAAONCS-QGZVFWFLSA-N 2 2 327.476 2.331 10 0 EEAELP CCc1nn(C)cc1C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190475532 539633863 /nfs/dbraw/zinc/63/38/63/539633863.db2.gz AOZMKQNRAAONCS-QGZVFWFLSA-N 2 2 327.476 2.331 10 0 EEAELP CCc1nn(C)cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190475532 539633866 /nfs/dbraw/zinc/63/38/66/539633866.db2.gz AOZMKQNRAAONCS-QGZVFWFLSA-N 2 2 327.476 2.331 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000429013160 283107135 /nfs/dbraw/zinc/10/71/35/283107135.db2.gz UQSJQIJLRFPMDK-OFGIBPIPSA-N 2 2 331.504 2.099 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000429013160 283107138 /nfs/dbraw/zinc/10/71/38/283107138.db2.gz UQSJQIJLRFPMDK-OFGIBPIPSA-N 2 2 331.504 2.099 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000429013160 283107141 /nfs/dbraw/zinc/10/71/41/283107141.db2.gz UQSJQIJLRFPMDK-OFGIBPIPSA-N 2 2 331.504 2.099 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000429013160 283107143 /nfs/dbraw/zinc/10/71/43/283107143.db2.gz UQSJQIJLRFPMDK-OFGIBPIPSA-N 2 2 331.504 2.099 10 0 EEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423064202 296000855 /nfs/dbraw/zinc/00/08/55/296000855.db2.gz YLMWUNYNXLAQKM-GOEBONIOSA-N 2 2 337.895 2.055 10 0 EEAELP Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000078404924 201185559 /nfs/dbraw/zinc/18/55/59/201185559.db2.gz UWRHFRNUZXPDOV-INIZCTEOSA-N 2 2 339.443 2.006 10 0 EEAELP COC(=O)c1cnc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000423189073 240399308 /nfs/dbraw/zinc/39/93/08/240399308.db2.gz OUHMKHJVTJVTHM-LBPRGKRZSA-N 2 2 334.445 2.155 10 0 EEAELP C[NH+]1CCC(N(CCc2ccccc2)C(=O)CCn2cc[nH+]c2)CC1 ZINC000072473195 203230951 /nfs/dbraw/zinc/23/09/51/203230951.db2.gz BEEOJSAHJHUBSC-UHFFFAOYSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1[nH+]ccn1CC[NH+]1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000077121781 203371727 /nfs/dbraw/zinc/37/17/27/203371727.db2.gz QYAJFKDDHWDCDA-UHFFFAOYSA-N 2 2 331.395 2.180 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)c2nccs2)C1 ZINC000105897673 204177794 /nfs/dbraw/zinc/17/77/94/204177794.db2.gz JKHOERJTZCNKMO-CYBMUJFWSA-N 2 2 333.461 2.202 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)c2nccs2)C1 ZINC000105897673 204177797 /nfs/dbraw/zinc/17/77/97/204177797.db2.gz JKHOERJTZCNKMO-CYBMUJFWSA-N 2 2 333.461 2.202 10 0 EEAELP O=C(C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC1CCCCC1 ZINC000470998258 245377631 /nfs/dbraw/zinc/37/76/31/245377631.db2.gz WGZZXZGDGZEZTD-KDURUIRLSA-N 2 2 341.499 2.499 10 0 EEAELP O=C(C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)NC1CCCCC1 ZINC000470998258 245377639 /nfs/dbraw/zinc/37/76/39/245377639.db2.gz WGZZXZGDGZEZTD-KDURUIRLSA-N 2 2 341.499 2.499 10 0 EEAELP O=C(C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)NC1CCCCC1 ZINC000470998258 245377646 /nfs/dbraw/zinc/37/76/46/245377646.db2.gz WGZZXZGDGZEZTD-KDURUIRLSA-N 2 2 341.499 2.499 10 0 EEAELP O=C(C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)NC1CCCCC1 ZINC000470998258 245377657 /nfs/dbraw/zinc/37/76/57/245377657.db2.gz WGZZXZGDGZEZTD-KDURUIRLSA-N 2 2 341.499 2.499 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)[C@@H](Cc3ccccc3)[NH+](C)C)cn21 ZINC000109702363 204289631 /nfs/dbraw/zinc/28/96/31/204289631.db2.gz GUOVEVJIXBVEMG-GOSISDBHSA-N 2 2 336.439 2.432 10 0 EEAELP Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c(C)[nH+]1 ZINC000155329761 224398775 /nfs/dbraw/zinc/39/87/75/224398775.db2.gz JMXXCXOJVOSXDB-MRXNPFEDSA-N 2 2 344.459 2.114 10 0 EEAELP COc1c(C[N@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c(C)nn1C ZINC000328633248 258027732 /nfs/dbraw/zinc/02/77/32/258027732.db2.gz LXJFYEYWUPUZLR-WMZOPIPTSA-N 2 2 343.475 2.257 10 0 EEAELP COc1c(C[N@@H+](C)C[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)c(C)nn1C ZINC000328633248 258027733 /nfs/dbraw/zinc/02/77/33/258027733.db2.gz LXJFYEYWUPUZLR-WMZOPIPTSA-N 2 2 343.475 2.257 10 0 EEAELP COc1c(C[NH+](C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c(C)nn1C ZINC000328633248 258027734 /nfs/dbraw/zinc/02/77/34/258027734.db2.gz LXJFYEYWUPUZLR-WMZOPIPTSA-N 2 2 343.475 2.257 10 0 EEAELP COc1c(C[NH+](C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(C)nn1C ZINC000328633248 258027735 /nfs/dbraw/zinc/02/77/35/258027735.db2.gz LXJFYEYWUPUZLR-WMZOPIPTSA-N 2 2 343.475 2.257 10 0 EEAELP COc1ccc(OC)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000111230858 142353840 /nfs/dbraw/zinc/35/38/40/142353840.db2.gz GDGDKKSXUKWMKQ-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP COc1ccc(OC)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000111230858 142353843 /nfs/dbraw/zinc/35/38/43/142353843.db2.gz GDGDKKSXUKWMKQ-GOSISDBHSA-N 2 2 347.503 2.306 10 0 EEAELP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000073950495 292173375 /nfs/dbraw/zinc/17/33/75/292173375.db2.gz OLCDTLLRZXWPFH-CQSZACIVSA-N 2 2 332.452 2.180 10 0 EEAELP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1Cl ZINC000248560165 160349692 /nfs/dbraw/zinc/34/96/92/160349692.db2.gz MMUTZYKFSOVJMK-GUYCJALGSA-N 2 2 342.842 2.167 10 0 EEAELP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1Cl ZINC000248560165 160349694 /nfs/dbraw/zinc/34/96/94/160349694.db2.gz MMUTZYKFSOVJMK-GUYCJALGSA-N 2 2 342.842 2.167 10 0 EEAELP CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000190641052 152214271 /nfs/dbraw/zinc/21/42/71/152214271.db2.gz WQBIWNHDLCZUAS-MRXNPFEDSA-N 2 2 327.494 2.261 10 0 EEAELP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000190641052 152214273 /nfs/dbraw/zinc/21/42/73/152214273.db2.gz WQBIWNHDLCZUAS-MRXNPFEDSA-N 2 2 327.494 2.261 10 0 EEAELP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)c1 ZINC000262690442 152305063 /nfs/dbraw/zinc/30/50/63/152305063.db2.gz AEFGGPVGULLGIU-HNNXBMFYSA-N 2 2 325.403 2.142 10 0 EEAELP CS(=O)(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354163044 153148094 /nfs/dbraw/zinc/14/80/94/153148094.db2.gz LBQZTIDXNLGFAW-AYHJJNSGSA-N 2 2 336.501 2.206 10 0 EEAELP CS(=O)(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354163044 153148101 /nfs/dbraw/zinc/14/81/01/153148101.db2.gz LBQZTIDXNLGFAW-AYHJJNSGSA-N 2 2 336.501 2.206 10 0 EEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000249910191 160387193 /nfs/dbraw/zinc/38/71/93/160387193.db2.gz VTSWLXXTJXPKBQ-ZACQAIPSSA-N 2 2 330.476 2.320 10 0 EEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000249910191 160387195 /nfs/dbraw/zinc/38/71/95/160387195.db2.gz VTSWLXXTJXPKBQ-ZACQAIPSSA-N 2 2 330.476 2.320 10 0 EEAELP C[NH+]1CCC(CNC(=O)Nc2ccncc2)([NH+]2CCCCC2)CC1 ZINC000075503567 159074497 /nfs/dbraw/zinc/07/44/97/159074497.db2.gz OCWKJWUYEAIYEE-UHFFFAOYSA-N 2 2 331.464 2.153 10 0 EEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000079103711 159129331 /nfs/dbraw/zinc/12/93/31/159129331.db2.gz ZFFGIRLUECBATA-QGZVFWFLSA-N 2 2 347.507 2.457 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110630862 159362008 /nfs/dbraw/zinc/36/20/08/159362008.db2.gz WRPRJYMRMNSUGP-QGZVFWFLSA-N 2 2 345.487 2.123 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000110630862 159362009 /nfs/dbraw/zinc/36/20/09/159362009.db2.gz WRPRJYMRMNSUGP-QGZVFWFLSA-N 2 2 345.487 2.123 10 0 EEAELP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245446448 160236130 /nfs/dbraw/zinc/23/61/30/160236130.db2.gz ZVMHIBAGIVIGLW-GOEBONIOSA-N 2 2 333.480 2.110 10 0 EEAELP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245446448 160236131 /nfs/dbraw/zinc/23/61/31/160236131.db2.gz ZVMHIBAGIVIGLW-GOEBONIOSA-N 2 2 333.480 2.110 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247622383 160329545 /nfs/dbraw/zinc/32/95/45/160329545.db2.gz NHKABSIKWUNOME-RHSMWYFYSA-N 2 2 328.416 2.413 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247622383 160329546 /nfs/dbraw/zinc/32/95/46/160329546.db2.gz NHKABSIKWUNOME-RHSMWYFYSA-N 2 2 328.416 2.413 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000343325811 161125056 /nfs/dbraw/zinc/12/50/56/161125056.db2.gz NNPZYGIIPUWIBP-AHRSYUTCSA-N 2 2 347.478 2.368 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000343325811 161125057 /nfs/dbraw/zinc/12/50/57/161125057.db2.gz NNPZYGIIPUWIBP-AHRSYUTCSA-N 2 2 347.478 2.368 10 0 EEAELP COC(=O)[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344687181 161235985 /nfs/dbraw/zinc/23/59/85/161235985.db2.gz JJYJGQASVVTXFX-OLZOCXBDSA-N 2 2 344.415 2.145 10 0 EEAELP COC(=O)[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344687181 161235986 /nfs/dbraw/zinc/23/59/86/161235986.db2.gz JJYJGQASVVTXFX-OLZOCXBDSA-N 2 2 344.415 2.145 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1-c1ccnn1C)C[NH+]1CCOCC1 ZINC000352602956 162208556 /nfs/dbraw/zinc/20/85/56/162208556.db2.gz FGEXERGWAFIUAX-INIZCTEOSA-N 2 2 328.460 2.145 10 0 EEAELP c1cc(C[NH+]2C[C@H]3CC[C@@H](C2)O3)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374111356 167019697 /nfs/dbraw/zinc/01/96/97/167019697.db2.gz RVYMLSBNCDRWJC-FGYAAKKASA-N 2 2 328.456 2.413 10 0 EEAELP c1cc(C[NH+]2C[C@H]3CC[C@@H](C2)O3)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000374111356 167019700 /nfs/dbraw/zinc/01/97/00/167019700.db2.gz RVYMLSBNCDRWJC-FGYAAKKASA-N 2 2 328.456 2.413 10 0 EEAELP C[C@H]1C[NH+]=C(N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)S1 ZINC000271469633 274133906 /nfs/dbraw/zinc/13/39/06/274133906.db2.gz YUSKYTRPZQJECQ-FUHWJXTLSA-N 2 2 344.528 2.370 10 0 EEAELP C[C@H]1C[NH+]=C(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)S1 ZINC000271469633 274133907 /nfs/dbraw/zinc/13/39/07/274133907.db2.gz YUSKYTRPZQJECQ-FUHWJXTLSA-N 2 2 344.528 2.370 10 0 EEAELP COC1(C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000277201823 274274897 /nfs/dbraw/zinc/27/48/97/274274897.db2.gz MQRTVXABDJKBOC-VQIMIIECSA-N 2 2 332.488 2.343 10 0 EEAELP COC1(C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCC1 ZINC000277201823 274274899 /nfs/dbraw/zinc/27/48/99/274274899.db2.gz MQRTVXABDJKBOC-VQIMIIECSA-N 2 2 332.488 2.343 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)CC1 ZINC000291201655 275281219 /nfs/dbraw/zinc/28/12/19/275281219.db2.gz NBDRYMZIWZIFHD-MRXNPFEDSA-N 2 2 347.459 2.172 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292179633 275388967 /nfs/dbraw/zinc/38/89/67/275388967.db2.gz QLCVNBADYQMTPS-KSSFIOAISA-N 2 2 333.501 2.049 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292179633 275388969 /nfs/dbraw/zinc/38/89/69/275388969.db2.gz QLCVNBADYQMTPS-KSSFIOAISA-N 2 2 333.501 2.049 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292179633 275388972 /nfs/dbraw/zinc/38/89/72/275388972.db2.gz QLCVNBADYQMTPS-KSSFIOAISA-N 2 2 333.501 2.049 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292179633 275388974 /nfs/dbraw/zinc/38/89/74/275388974.db2.gz QLCVNBADYQMTPS-KSSFIOAISA-N 2 2 333.501 2.049 10 0 EEAELP COc1ccc([C@H](NC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C(C)C)cc1 ZINC000193610943 295243595 /nfs/dbraw/zinc/24/35/95/295243595.db2.gz WYGSYPRXCKRQKK-FUHIMQAGSA-N 2 2 345.487 2.002 10 0 EEAELP COc1ccc([C@H](NC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)C(C)C)cc1 ZINC000193610943 295243596 /nfs/dbraw/zinc/24/35/96/295243596.db2.gz WYGSYPRXCKRQKK-FUHIMQAGSA-N 2 2 345.487 2.002 10 0 EEAELP COc1ccc([C@H](NC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)C(C)C)cc1 ZINC000193610943 295243597 /nfs/dbraw/zinc/24/35/97/295243597.db2.gz WYGSYPRXCKRQKK-FUHIMQAGSA-N 2 2 345.487 2.002 10 0 EEAELP COc1ccc([C@H](NC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)C(C)C)cc1 ZINC000193610943 295243598 /nfs/dbraw/zinc/24/35/98/295243598.db2.gz WYGSYPRXCKRQKK-FUHIMQAGSA-N 2 2 345.487 2.002 10 0 EEAELP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414888725 313106468 /nfs/dbraw/zinc/10/64/68/313106468.db2.gz XZPBFTQQHQZKKP-INIZCTEOSA-N 2 2 347.484 2.013 10 0 EEAELP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416941056 313367807 /nfs/dbraw/zinc/36/78/07/313367807.db2.gz PTVOFDFXLGPENF-CQSZACIVSA-N 2 2 335.839 2.271 10 0 EEAELP CN(CC1CC1)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434680859 314855930 /nfs/dbraw/zinc/85/59/30/314855930.db2.gz YAEHYRICKGMUFU-UHFFFAOYSA-N 2 2 330.476 2.267 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccsc1 ZINC000543631331 318164387 /nfs/dbraw/zinc/16/43/87/318164387.db2.gz IFVAQNJOHCFIOC-INIZCTEOSA-N 2 2 332.473 2.243 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000544818701 318198170 /nfs/dbraw/zinc/19/81/70/318198170.db2.gz QFHBJVKFFXWBPA-HUUCEWRRSA-N 2 2 327.432 2.260 10 0 EEAELP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000566853844 319327044 /nfs/dbraw/zinc/32/70/44/319327044.db2.gz KCHOJPRJXVKAST-SFHVURJKSA-N 2 2 349.438 2.145 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000567257764 319364538 /nfs/dbraw/zinc/36/45/38/319364538.db2.gz IJWUMRARUSDJKC-PBFPGSCMSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000567257764 319364540 /nfs/dbraw/zinc/36/45/40/319364540.db2.gz IJWUMRARUSDJKC-PBFPGSCMSA-N 2 2 328.416 2.106 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000568778509 319518755 /nfs/dbraw/zinc/51/87/55/319518755.db2.gz GWTVUQNHFVESSB-UHFFFAOYSA-N 2 2 330.476 2.109 10 0 EEAELP CC1CC[NH+](C2CCC(NC(=O)NCCc3cn(C)c[nH+]3)CC2)CC1 ZINC000570376347 319659634 /nfs/dbraw/zinc/65/96/34/319659634.db2.gz NXKUCYTXZGPICA-UHFFFAOYSA-N 2 2 347.507 2.305 10 0 EEAELP c1cc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc2c1OCO2 ZINC000575181684 320093826 /nfs/dbraw/zinc/09/38/26/320093826.db2.gz WORKDWNXQAPKKL-SFHVURJKSA-N 2 2 342.399 2.041 10 0 EEAELP c1cc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc2c1OCO2 ZINC000575181684 320093827 /nfs/dbraw/zinc/09/38/27/320093827.db2.gz WORKDWNXQAPKKL-SFHVURJKSA-N 2 2 342.399 2.041 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000576047455 320136417 /nfs/dbraw/zinc/13/64/17/320136417.db2.gz NRPGQLVNWLRWJV-QQFBHYJXSA-N 2 2 331.464 2.316 10 0 EEAELP C[NH+](C)CCn1ccc2ccc(NC(=O)C[NH+]3CC(C)(C)C3)cc21 ZINC000578879990 323727316 /nfs/dbraw/zinc/72/73/16/323727316.db2.gz ARBKBANWNPTRFK-UHFFFAOYSA-N 2 2 328.460 2.483 10 0 EEAELP Cc1nc2[nH]ccc2c(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000531433602 448082852 /nfs/dbraw/zinc/08/28/52/448082852.db2.gz WPVZLBJSODRBND-IBGZPJMESA-N 2 2 337.427 2.315 10 0 EEAELP Cc1nc2[nH]ccc2c(NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000531433602 448082855 /nfs/dbraw/zinc/08/28/55/448082855.db2.gz WPVZLBJSODRBND-IBGZPJMESA-N 2 2 337.427 2.315 10 0 EEAELP CN(C(=O)Cc1ccon1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339168729 465121795 /nfs/dbraw/zinc/12/17/95/465121795.db2.gz FEZUSUDBSYCAEU-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP CN(C(=O)Cc1ccon1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339168729 465121799 /nfs/dbraw/zinc/12/17/99/465121799.db2.gz FEZUSUDBSYCAEU-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP CC(C)c1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncn1 ZINC000339366279 465225742 /nfs/dbraw/zinc/22/57/42/465225742.db2.gz MDLYQTSOUOUOTM-SJPCQFCGSA-N 2 2 329.492 2.347 10 0 EEAELP CC(C)c1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncn1 ZINC000339366279 465225746 /nfs/dbraw/zinc/22/57/46/465225746.db2.gz MDLYQTSOUOUOTM-SJPCQFCGSA-N 2 2 329.492 2.347 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000341558938 465231099 /nfs/dbraw/zinc/23/10/99/465231099.db2.gz PNCUSKUTDCXOAM-HOTGVXAUSA-N 2 2 333.480 2.493 10 0 EEAELP CC[NH+](CC)CCOCCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000347881586 465283368 /nfs/dbraw/zinc/28/33/68/465283368.db2.gz SFKOLALJOLEGLJ-UHFFFAOYSA-N 2 2 329.448 2.617 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)S(C)(=O)=O ZINC000578891346 468275992 /nfs/dbraw/zinc/27/59/92/468275992.db2.gz LQWABAKLXQYGKH-NVXWUHKLSA-N 2 2 336.501 2.206 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)S(C)(=O)=O ZINC000578891346 468275997 /nfs/dbraw/zinc/27/59/97/468275997.db2.gz LQWABAKLXQYGKH-NVXWUHKLSA-N 2 2 336.501 2.206 10 0 EEAELP C[NH+](C)C[C@H]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000129554785 462712486 /nfs/dbraw/zinc/71/24/86/462712486.db2.gz NRZDBRRAUZADPW-GOSISDBHSA-N 2 2 341.459 2.025 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cn2c1 ZINC000116400064 462758753 /nfs/dbraw/zinc/75/87/53/462758753.db2.gz POJWVTLKARWMCA-LJQANCHMSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cn2c1 ZINC000116400064 462758754 /nfs/dbraw/zinc/75/87/54/462758754.db2.gz POJWVTLKARWMCA-LJQANCHMSA-N 2 2 341.503 2.245 10 0 EEAELP CSCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154497478 462775786 /nfs/dbraw/zinc/77/57/86/462775786.db2.gz BOCDGARVNLNTAI-SJPCQFCGSA-N 2 2 339.549 2.289 10 0 EEAELP CSCCCCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154497478 462775791 /nfs/dbraw/zinc/77/57/91/462775791.db2.gz BOCDGARVNLNTAI-SJPCQFCGSA-N 2 2 339.549 2.289 10 0 EEAELP c1cn(CC[NH+]2CCN(c3ccnc(-c4ccccc4)n3)CC2)c[nH+]1 ZINC000131937625 462834653 /nfs/dbraw/zinc/83/46/53/462834653.db2.gz HDIQCQPYZZSXLJ-UHFFFAOYSA-N 2 2 334.427 2.162 10 0 EEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000133026882 462894234 /nfs/dbraw/zinc/89/42/34/462894234.db2.gz BHEDWXDDDHNZGI-XJKSGUPXSA-N 2 2 325.478 2.193 10 0 EEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000133026882 462894238 /nfs/dbraw/zinc/89/42/38/462894238.db2.gz BHEDWXDDDHNZGI-XJKSGUPXSA-N 2 2 325.478 2.193 10 0 EEAELP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)[nH]1 ZINC000092812519 462981738 /nfs/dbraw/zinc/98/17/38/462981738.db2.gz VMKOZHNCMVQRJX-AWEZNQCLSA-N 2 2 327.432 2.046 10 0 EEAELP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)[nH]1 ZINC000092812519 462981746 /nfs/dbraw/zinc/98/17/46/462981746.db2.gz VMKOZHNCMVQRJX-AWEZNQCLSA-N 2 2 327.432 2.046 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156303311 463004926 /nfs/dbraw/zinc/00/49/26/463004926.db2.gz DUKKOXILLIOUJK-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP C[NH+](C)CCOc1cc(C(=O)N2CCCC[C@H]2c2[nH]cc[nH+]2)ccn1 ZINC000095451502 463087161 /nfs/dbraw/zinc/08/71/61/463087161.db2.gz LHASFCJQLMQIOL-HNNXBMFYSA-N 2 2 343.431 2.113 10 0 EEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCCCNc1cccc[nH+]1 ZINC000136192112 463226801 /nfs/dbraw/zinc/22/68/01/463226801.db2.gz JZPNSVCRYWRMOQ-QGZVFWFLSA-N 2 2 326.444 2.173 10 0 EEAELP CCn1cc[nH+]c1CN1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000069350945 463233369 /nfs/dbraw/zinc/23/33/69/463233369.db2.gz FFEMJNKTPZOHHK-UHFFFAOYSA-N 2 2 328.460 2.272 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)C[NH+]1CCCC1 ZINC000137120767 463277136 /nfs/dbraw/zinc/27/71/36/463277136.db2.gz XMWJCRDNVCGFGK-DLBZAZTESA-N 2 2 347.507 2.116 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC000105904181 463495389 /nfs/dbraw/zinc/49/53/89/463495389.db2.gz XNLZHLYTKHYZQF-CVEARBPZSA-N 2 2 333.432 2.253 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC000105904181 463495391 /nfs/dbraw/zinc/49/53/91/463495391.db2.gz XNLZHLYTKHYZQF-CVEARBPZSA-N 2 2 333.432 2.253 10 0 EEAELP O=C1[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1c1ccccc1F ZINC000084505976 463608288 /nfs/dbraw/zinc/60/82/88/463608288.db2.gz XMQXTVFEGMJCIM-DZGCQCFKSA-N 2 2 328.391 2.295 10 0 EEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171299869 463841623 /nfs/dbraw/zinc/84/16/23/463841623.db2.gz SQYQRBYXLFESCR-QZTJIDSGSA-N 2 2 345.512 2.083 10 0 EEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171299869 463841629 /nfs/dbraw/zinc/84/16/29/463841629.db2.gz SQYQRBYXLFESCR-QZTJIDSGSA-N 2 2 345.512 2.083 10 0 EEAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000263194701 464059872 /nfs/dbraw/zinc/05/98/72/464059872.db2.gz IHKOGLQIHQWVRP-FZMZJTMJSA-N 2 2 329.425 2.226 10 0 EEAELP COC[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000187081232 464095777 /nfs/dbraw/zinc/09/57/77/464095777.db2.gz PVLPNKUGOZXSRE-RTBURBONSA-N 2 2 346.519 2.198 10 0 EEAELP COC[C@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000187081232 464095781 /nfs/dbraw/zinc/09/57/81/464095781.db2.gz PVLPNKUGOZXSRE-RTBURBONSA-N 2 2 346.519 2.198 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292245289 464171085 /nfs/dbraw/zinc/17/10/85/464171085.db2.gz XCYWSGGRSWRIPJ-IBGZPJMESA-N 2 2 333.451 2.202 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292245289 464171089 /nfs/dbraw/zinc/17/10/89/464171089.db2.gz XCYWSGGRSWRIPJ-IBGZPJMESA-N 2 2 333.451 2.202 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292245289 464171093 /nfs/dbraw/zinc/17/10/93/464171093.db2.gz XCYWSGGRSWRIPJ-IBGZPJMESA-N 2 2 333.451 2.202 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292245289 464171096 /nfs/dbraw/zinc/17/10/96/464171096.db2.gz XCYWSGGRSWRIPJ-IBGZPJMESA-N 2 2 333.451 2.202 10 0 EEAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173871898 464323342 /nfs/dbraw/zinc/32/33/42/464323342.db2.gz VNXFDJZLDDRADX-GOSISDBHSA-N 2 2 345.487 2.119 10 0 EEAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173871898 464323347 /nfs/dbraw/zinc/32/33/47/464323347.db2.gz VNXFDJZLDDRADX-GOSISDBHSA-N 2 2 345.487 2.119 10 0 EEAELP C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272195337 464514871 /nfs/dbraw/zinc/51/48/71/464514871.db2.gz GLYKMIXDYCHSQI-UHFFFAOYSA-N 2 2 339.399 2.064 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)COC[C@@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189893906 464561494 /nfs/dbraw/zinc/56/14/94/464561494.db2.gz LEKHDRDWHLHILN-IPELMVKDSA-N 2 2 345.443 2.079 10 0 EEAELP C[C@@H]1CC[C@@H](C)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000176382051 464761263 /nfs/dbraw/zinc/76/12/63/464761263.db2.gz KTTYZEVHGKPECR-HZPDHXFCSA-N 2 2 336.524 2.375 10 0 EEAELP CCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248660313 464781972 /nfs/dbraw/zinc/78/19/72/464781972.db2.gz VVYDAXDAAULOMI-CABCVRRESA-N 2 2 338.521 2.120 10 0 EEAELP CCCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248660313 464781975 /nfs/dbraw/zinc/78/19/75/464781975.db2.gz VVYDAXDAAULOMI-CABCVRRESA-N 2 2 338.521 2.120 10 0 EEAELP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248660313 464781982 /nfs/dbraw/zinc/78/19/82/464781982.db2.gz VVYDAXDAAULOMI-CABCVRRESA-N 2 2 338.521 2.120 10 0 EEAELP CCCNC(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248660313 464781986 /nfs/dbraw/zinc/78/19/86/464781986.db2.gz VVYDAXDAAULOMI-CABCVRRESA-N 2 2 338.521 2.120 10 0 EEAELP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000191198380 464796245 /nfs/dbraw/zinc/79/62/45/464796245.db2.gz GBDVBBDMVYUNSZ-VYDXJSESSA-N 2 2 326.400 2.041 10 0 EEAELP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000191198380 464796249 /nfs/dbraw/zinc/79/62/49/464796249.db2.gz GBDVBBDMVYUNSZ-VYDXJSESSA-N 2 2 326.400 2.041 10 0 EEAELP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000191198348 464796408 /nfs/dbraw/zinc/79/64/08/464796408.db2.gz GBDVBBDMVYUNSZ-INMHGKMJSA-N 2 2 326.400 2.041 10 0 EEAELP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000191198348 464796412 /nfs/dbraw/zinc/79/64/12/464796412.db2.gz GBDVBBDMVYUNSZ-INMHGKMJSA-N 2 2 326.400 2.041 10 0 EEAELP C[C@]1(F)CCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000295462722 464845760 /nfs/dbraw/zinc/84/57/60/464845760.db2.gz QFIPQWCELKJJPD-IBGZPJMESA-N 2 2 349.450 2.281 10 0 EEAELP C[C@]1(F)CCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000295462722 464845769 /nfs/dbraw/zinc/84/57/69/464845769.db2.gz QFIPQWCELKJJPD-IBGZPJMESA-N 2 2 349.450 2.281 10 0 EEAELP COc1nccnc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000295618641 464905394 /nfs/dbraw/zinc/90/53/94/464905394.db2.gz GUQICKKZUVQLLR-UHFFFAOYSA-N 2 2 342.447 2.023 10 0 EEAELP COCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597054285 468429135 /nfs/dbraw/zinc/42/91/35/468429135.db2.gz XVKZLKJLEJKBOU-UHFFFAOYSA-N 2 2 340.851 2.327 10 0 EEAELP C[NH+](C)CC1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000339614367 465388034 /nfs/dbraw/zinc/38/80/34/465388034.db2.gz NRSRNVCZUAEOFI-UHFFFAOYSA-N 2 2 349.866 2.471 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[N@@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000330126792 465542062 /nfs/dbraw/zinc/54/20/62/465542062.db2.gz IUWGYOCYYLGJPG-JZXOWHBKSA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000330126792 465542064 /nfs/dbraw/zinc/54/20/64/465542064.db2.gz IUWGYOCYYLGJPG-JZXOWHBKSA-N 2 2 345.491 2.377 10 0 EEAELP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1O ZINC000348308579 465543051 /nfs/dbraw/zinc/54/30/51/465543051.db2.gz DPIQKLPYBPEHEN-PBFPGSCMSA-N 2 2 328.416 2.106 10 0 EEAELP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@H]1O ZINC000348308579 465543056 /nfs/dbraw/zinc/54/30/56/465543056.db2.gz DPIQKLPYBPEHEN-PBFPGSCMSA-N 2 2 328.416 2.106 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000360969024 465672623 /nfs/dbraw/zinc/67/26/23/465672623.db2.gz AXWVZDUNXWBFMO-MRXNPFEDSA-N 2 2 335.496 2.015 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000360969024 465672626 /nfs/dbraw/zinc/67/26/26/465672626.db2.gz AXWVZDUNXWBFMO-MRXNPFEDSA-N 2 2 335.496 2.015 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000360969022 465672688 /nfs/dbraw/zinc/67/26/88/465672688.db2.gz AXWVZDUNXWBFMO-INIZCTEOSA-N 2 2 335.496 2.015 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nnc(C3CCC3)n2C)C1 ZINC000360969022 465672692 /nfs/dbraw/zinc/67/26/92/465672692.db2.gz AXWVZDUNXWBFMO-INIZCTEOSA-N 2 2 335.496 2.015 10 0 EEAELP Cc1cc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)c(C)c[nH+]1 ZINC000362382142 465693445 /nfs/dbraw/zinc/69/34/45/465693445.db2.gz OMDDYZQAIJUPET-UHFFFAOYSA-N 2 2 325.416 2.306 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)cn2)[C@@H](C)C1 ZINC000299433887 465747169 /nfs/dbraw/zinc/74/71/69/465747169.db2.gz VKKRKOFUDQQDQV-YJBOKZPZSA-N 2 2 349.475 2.095 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)cn2)[C@@H](C)C1 ZINC000299433887 465747177 /nfs/dbraw/zinc/74/71/77/465747177.db2.gz VKKRKOFUDQQDQV-YJBOKZPZSA-N 2 2 349.475 2.095 10 0 EEAELP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353300013 465780035 /nfs/dbraw/zinc/78/00/35/465780035.db2.gz OVUGEPNDXCDNJR-AWEZNQCLSA-N 2 2 327.432 2.193 10 0 EEAELP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353300013 465780040 /nfs/dbraw/zinc/78/00/40/465780040.db2.gz OVUGEPNDXCDNJR-AWEZNQCLSA-N 2 2 327.432 2.193 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175175 465814349 /nfs/dbraw/zinc/81/43/49/465814349.db2.gz LUDCDKKLLSFOEE-RLFYNMQTSA-N 3 2 334.483 2.178 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000361175175 465814353 /nfs/dbraw/zinc/81/43/53/465814353.db2.gz LUDCDKKLLSFOEE-RLFYNMQTSA-N 3 2 334.483 2.178 10 0 EEAELP O=c1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2sccn21 ZINC000299622478 465830913 /nfs/dbraw/zinc/83/09/13/465830913.db2.gz QQUUZRDFKNSOCR-ZDUSSCGKSA-N 2 2 341.440 2.085 10 0 EEAELP O=c1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2sccn21 ZINC000299622478 465830923 /nfs/dbraw/zinc/83/09/23/465830923.db2.gz QQUUZRDFKNSOCR-ZDUSSCGKSA-N 2 2 341.440 2.085 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000362573463 465842263 /nfs/dbraw/zinc/84/22/63/465842263.db2.gz SSJXVDSLFVPEBK-KBPBESRZSA-N 2 2 346.500 2.500 10 0 EEAELP COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290770 465888641 /nfs/dbraw/zinc/88/86/41/465888641.db2.gz UIBDYSOCOAFCGZ-QAPCUYQASA-N 2 2 345.443 2.123 10 0 EEAELP COC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290770 465888649 /nfs/dbraw/zinc/88/86/49/465888649.db2.gz UIBDYSOCOAFCGZ-QAPCUYQASA-N 2 2 345.443 2.123 10 0 EEAELP COCCN(C)c1ccc(CNc2[nH]c3ccc(F)cc3[nH+]2)c[nH+]1 ZINC000362647946 465909082 /nfs/dbraw/zinc/90/90/82/465909082.db2.gz IUFATXWQRFESIL-UHFFFAOYSA-N 2 2 329.379 2.214 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000361518883 466066006 /nfs/dbraw/zinc/06/60/06/466066006.db2.gz LRXRTSFBMVBDHX-HNNXBMFYSA-N 2 2 340.427 2.239 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)s1 ZINC000361532446 466080602 /nfs/dbraw/zinc/08/06/02/466080602.db2.gz XWRYFYNLXOWMRQ-UHFFFAOYSA-N 2 2 347.440 2.261 10 0 EEAELP COCCCn1nccc1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000338431010 466120843 /nfs/dbraw/zinc/12/08/43/466120843.db2.gz NANHNKWDLXPBQD-UHFFFAOYSA-N 2 2 339.443 2.454 10 0 EEAELP C[C@H](COc1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000349699197 466195872 /nfs/dbraw/zinc/19/58/72/466195872.db2.gz GSOFPDQEUYIWFA-QGZVFWFLSA-N 2 2 347.503 2.186 10 0 EEAELP C[C@H](COc1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000349699197 466195882 /nfs/dbraw/zinc/19/58/82/466195882.db2.gz GSOFPDQEUYIWFA-QGZVFWFLSA-N 2 2 347.503 2.186 10 0 EEAELP CCc1nc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc(C)[nH+]1 ZINC000367426389 466331094 /nfs/dbraw/zinc/33/10/94/466331094.db2.gz OAIKXVWTPXRXIJ-UHFFFAOYSA-N 3 2 331.508 2.710 10 0 EEAELP CCc1nc(C)cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000367426389 466331100 /nfs/dbraw/zinc/33/11/00/466331100.db2.gz OAIKXVWTPXRXIJ-UHFFFAOYSA-N 2 2 331.508 2.710 10 0 EEAELP CN(C)c1nc(N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc[nH+]1 ZINC000354352673 466498964 /nfs/dbraw/zinc/49/89/64/466498964.db2.gz IWCRLSUMGAPKRL-CYBMUJFWSA-N 2 2 347.413 2.897 10 0 EEAELP CN(C)c1nc(N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc[nH+]1 ZINC000354352673 466498974 /nfs/dbraw/zinc/49/89/74/466498974.db2.gz IWCRLSUMGAPKRL-CYBMUJFWSA-N 2 2 347.413 2.897 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000358213594 466545989 /nfs/dbraw/zinc/54/59/89/466545989.db2.gz AXEIHPNZRPGKSH-ZWNOBZJWSA-N 2 2 341.249 2.260 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000358213594 466545998 /nfs/dbraw/zinc/54/59/98/466545998.db2.gz AXEIHPNZRPGKSH-ZWNOBZJWSA-N 2 2 341.249 2.260 10 0 EEAELP CC(C)(C)n1nnnc1C[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000362184535 466608771 /nfs/dbraw/zinc/60/87/71/466608771.db2.gz UYORHIYBVXCTFX-UHFFFAOYSA-N 2 2 331.468 2.317 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000321118919 466618841 /nfs/dbraw/zinc/61/88/41/466618841.db2.gz CFDUIXLVJUQAAC-ZBFHGGJFSA-N 2 2 333.501 2.097 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2sccc2C1 ZINC000321118919 466618847 /nfs/dbraw/zinc/61/88/47/466618847.db2.gz CFDUIXLVJUQAAC-ZBFHGGJFSA-N 2 2 333.501 2.097 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422625240 466678911 /nfs/dbraw/zinc/67/89/11/466678911.db2.gz BATDHRZNLVFGGD-MCIONIFRSA-N 2 2 337.430 2.339 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422625240 466678906 /nfs/dbraw/zinc/67/89/06/466678906.db2.gz BATDHRZNLVFGGD-MCIONIFRSA-N 2 2 337.430 2.339 10 0 EEAELP C[C@H](Nc1ccc(N2CC[NH2+]CC2)c[nH+]1)c1ccc2c(c1)OCO2 ZINC000423223490 466699946 /nfs/dbraw/zinc/69/99/46/466699946.db2.gz AFMRHFDQYAXKIL-ZDUSSCGKSA-N 2 2 326.400 2.393 10 0 EEAELP O=C(C[N@@H+]1CCCC12CCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000365633015 466889097 /nfs/dbraw/zinc/88/90/97/466889097.db2.gz UGSKVJHILLPLSE-UHFFFAOYSA-N 2 2 343.471 2.476 10 0 EEAELP O=C(C[N@H+]1CCCC12CCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000365633015 466889101 /nfs/dbraw/zinc/88/91/01/466889101.db2.gz UGSKVJHILLPLSE-UHFFFAOYSA-N 2 2 343.471 2.476 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418001964 467018085 /nfs/dbraw/zinc/01/80/85/467018085.db2.gz XRYQSMOTGRGCPK-GJZGRUSLSA-N 2 2 342.846 2.215 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)N(C)CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418001964 467018088 /nfs/dbraw/zinc/01/80/88/467018088.db2.gz XRYQSMOTGRGCPK-GJZGRUSLSA-N 2 2 342.846 2.215 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)[nH+]cn2)CC1 ZINC000413113300 467172420 /nfs/dbraw/zinc/17/24/20/467172420.db2.gz YDKKYXZLFFRCLB-DOTOQJQBSA-N 2 2 347.507 2.218 10 0 EEAELP CCC[NH+]1CCC(CNc2cc(N3CC[C@@H]([C@H](C)O)C3)nc[nH+]2)CC1 ZINC000413113300 467172423 /nfs/dbraw/zinc/17/24/23/467172423.db2.gz YDKKYXZLFFRCLB-DOTOQJQBSA-N 2 2 347.507 2.218 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378065649 467189374 /nfs/dbraw/zinc/18/93/74/467189374.db2.gz BHBUYFZQQXDKED-MRXNPFEDSA-N 2 2 341.459 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000378065649 467189375 /nfs/dbraw/zinc/18/93/75/467189375.db2.gz BHBUYFZQQXDKED-MRXNPFEDSA-N 2 2 341.459 2.218 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378065649 467189379 /nfs/dbraw/zinc/18/93/79/467189379.db2.gz BHBUYFZQQXDKED-MRXNPFEDSA-N 2 2 341.459 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000378065649 467189382 /nfs/dbraw/zinc/18/93/82/467189382.db2.gz BHBUYFZQQXDKED-MRXNPFEDSA-N 2 2 341.459 2.218 10 0 EEAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000378097055 467196512 /nfs/dbraw/zinc/19/65/12/467196512.db2.gz OTRGGUUGVARYSU-HNNXBMFYSA-N 2 2 345.491 2.363 10 0 EEAELP O=C(NC1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000378097055 467196514 /nfs/dbraw/zinc/19/65/14/467196514.db2.gz OTRGGUUGVARYSU-HNNXBMFYSA-N 2 2 345.491 2.363 10 0 EEAELP Cc1ccc(SCCNC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429043092 467295845 /nfs/dbraw/zinc/29/58/45/467295845.db2.gz RUMPGSBECRHZOF-LJQANCHMSA-N 2 2 347.528 2.231 10 0 EEAELP Cc1ccc(SCCNC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429043092 467295846 /nfs/dbraw/zinc/29/58/46/467295846.db2.gz RUMPGSBECRHZOF-LJQANCHMSA-N 2 2 347.528 2.231 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429043092 467295848 /nfs/dbraw/zinc/29/58/48/467295848.db2.gz RUMPGSBECRHZOF-LJQANCHMSA-N 2 2 347.528 2.231 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429043092 467295853 /nfs/dbraw/zinc/29/58/53/467295853.db2.gz RUMPGSBECRHZOF-LJQANCHMSA-N 2 2 347.528 2.231 10 0 EEAELP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000429554312 467346552 /nfs/dbraw/zinc/34/65/52/467346552.db2.gz RYESENVEOZXUON-AZRLCKCBSA-N 2 2 333.520 2.488 10 0 EEAELP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000429554312 467346555 /nfs/dbraw/zinc/34/65/55/467346555.db2.gz RYESENVEOZXUON-AZRLCKCBSA-N 2 2 333.520 2.488 10 0 EEAELP Cn1c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nnc1-c1ccccc1 ZINC000420397533 467395105 /nfs/dbraw/zinc/39/51/05/467395105.db2.gz MPQPIGBTKLCUMF-IRXDYDNUSA-N 2 2 325.460 2.446 10 0 EEAELP Cn1c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)nnc1-c1ccccc1 ZINC000420397533 467395107 /nfs/dbraw/zinc/39/51/07/467395107.db2.gz MPQPIGBTKLCUMF-IRXDYDNUSA-N 2 2 325.460 2.446 10 0 EEAELP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCc1[nH+]ccn1CC)c1ccco1 ZINC000458772899 467896628 /nfs/dbraw/zinc/89/66/28/467896628.db2.gz PIDYBARIQRKEFF-KGLIPLIRSA-N 2 2 333.436 2.425 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000568030483 468259368 /nfs/dbraw/zinc/25/93/68/468259368.db2.gz XEAAUUMHCWGXIR-AWEZNQCLSA-N 2 2 326.412 2.043 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(OC)c(OC)cc1F ZINC000568030483 468259375 /nfs/dbraw/zinc/25/93/75/468259375.db2.gz XEAAUUMHCWGXIR-AWEZNQCLSA-N 2 2 326.412 2.043 10 0 EEAELP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000569706423 468532030 /nfs/dbraw/zinc/53/20/30/468532030.db2.gz OGGLRBUUIRNAFD-UHFFFAOYSA-N 2 2 348.397 2.089 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000600716980 468632388 /nfs/dbraw/zinc/63/23/88/468632388.db2.gz NWWRWZOQVFOSTN-SYJJWHGVSA-N 2 2 337.464 2.124 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558651071 468698775 /nfs/dbraw/zinc/69/87/75/468698775.db2.gz MVTOXADHEULLBB-HOTGVXAUSA-N 2 2 345.491 2.203 10 0 EEAELP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000601310363 468821422 /nfs/dbraw/zinc/82/14/22/468821422.db2.gz JYXJXYDGFFUNGA-GFCCVEGCSA-N 2 2 347.385 2.117 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000572759564 468989344 /nfs/dbraw/zinc/98/93/44/468989344.db2.gz JQBPAAUQBHYTDP-PBHICJAKSA-N 2 2 343.393 2.484 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000572759564 468989347 /nfs/dbraw/zinc/98/93/47/468989347.db2.gz JQBPAAUQBHYTDP-PBHICJAKSA-N 2 2 343.393 2.484 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610538556 468996555 /nfs/dbraw/zinc/99/65/55/468996555.db2.gz CTVBXNHHWAWTOS-MSOLQXFVSA-N 2 2 348.487 2.143 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610538556 468996556 /nfs/dbraw/zinc/99/65/56/468996556.db2.gz CTVBXNHHWAWTOS-MSOLQXFVSA-N 2 2 348.487 2.143 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610538556 468996561 /nfs/dbraw/zinc/99/65/61/468996561.db2.gz CTVBXNHHWAWTOS-MSOLQXFVSA-N 2 2 348.487 2.143 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000610538556 468996564 /nfs/dbraw/zinc/99/65/64/468996564.db2.gz CTVBXNHHWAWTOS-MSOLQXFVSA-N 2 2 348.487 2.143 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[N@@H+](C)C3)cn2c1 ZINC000604267988 469467434 /nfs/dbraw/zinc/46/74/34/469467434.db2.gz ORSHSJLEHQYKOK-CQSZACIVSA-N 2 2 332.473 2.086 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCC[N@H+](C)C3)cn2c1 ZINC000604267988 469467436 /nfs/dbraw/zinc/46/74/36/469467436.db2.gz ORSHSJLEHQYKOK-CQSZACIVSA-N 2 2 332.473 2.086 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)NCCCCn2cc[nH+]c2)ccc1F ZINC000604593025 469497273 /nfs/dbraw/zinc/49/72/73/469497273.db2.gz DEDSLKWDMOVOBA-UHFFFAOYSA-N 2 2 347.438 2.363 10 0 EEAELP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000629660592 469601068 /nfs/dbraw/zinc/60/10/68/469601068.db2.gz WFMCSBBQPTXOHC-SJLPKXTDSA-N 3 2 330.520 2.447 10 0 EEAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623398289 469642598 /nfs/dbraw/zinc/64/25/98/469642598.db2.gz BHHLUJURRIDTIT-ZFWWWQNUSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623398289 469642604 /nfs/dbraw/zinc/64/26/04/469642604.db2.gz BHHLUJURRIDTIT-ZFWWWQNUSA-N 2 2 339.505 2.118 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000623415287 469649884 /nfs/dbraw/zinc/64/98/84/469649884.db2.gz GNZMRHWFIODPLJ-IAGOWNOFSA-N 2 2 326.444 2.173 10 0 EEAELP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CCn4cc(C)[nH+]c4C3)sc2C1 ZINC000623556593 469692484 /nfs/dbraw/zinc/69/24/84/469692484.db2.gz ONIVRQCXTKNYNK-LBPRGKRZSA-N 2 2 345.472 2.227 10 0 EEAELP CC[N@H+]1CCc2nc(NC(=O)[C@H]3CCn4cc(C)[nH+]c4C3)sc2C1 ZINC000623556593 469692486 /nfs/dbraw/zinc/69/24/86/469692486.db2.gz ONIVRQCXTKNYNK-LBPRGKRZSA-N 2 2 345.472 2.227 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000626927478 469758095 /nfs/dbraw/zinc/75/80/95/469758095.db2.gz PEJKKZYJTQRJFM-ARFHVFGLSA-N 2 2 345.422 2.088 10 0 EEAELP CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764035 469795773 /nfs/dbraw/zinc/79/57/73/469795773.db2.gz GMIWYFWQPMNHLF-RBUKOAKNSA-N 2 2 331.504 2.352 10 0 EEAELP CCc1ccccc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764035 469795778 /nfs/dbraw/zinc/79/57/78/469795778.db2.gz GMIWYFWQPMNHLF-RBUKOAKNSA-N 2 2 331.504 2.352 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000617766447 469797704 /nfs/dbraw/zinc/79/77/04/469797704.db2.gz KUABOWAETJMXNU-HXUWFJFHSA-N 2 2 331.504 2.181 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCc2ccccc2C1 ZINC000617766447 469797706 /nfs/dbraw/zinc/79/77/06/469797706.db2.gz KUABOWAETJMXNU-HXUWFJFHSA-N 2 2 331.504 2.181 10 0 EEAELP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000627487610 469913600 /nfs/dbraw/zinc/91/36/00/469913600.db2.gz HHZLEZKJZNCMAM-SZMVWBNQSA-N 2 2 347.890 2.467 10 0 EEAELP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000627487610 469913605 /nfs/dbraw/zinc/91/36/05/469913605.db2.gz HHZLEZKJZNCMAM-SZMVWBNQSA-N 2 2 347.890 2.467 10 0 EEAELP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000627487610 469913610 /nfs/dbraw/zinc/91/36/10/469913610.db2.gz HHZLEZKJZNCMAM-SZMVWBNQSA-N 2 2 347.890 2.467 10 0 EEAELP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000627487610 469913617 /nfs/dbraw/zinc/91/36/17/469913617.db2.gz HHZLEZKJZNCMAM-SZMVWBNQSA-N 2 2 347.890 2.467 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)CC2 ZINC000624473876 469948379 /nfs/dbraw/zinc/94/83/79/469948379.db2.gz VMDVAGPIMGBYAF-QZTJIDSGSA-N 2 2 340.471 2.043 10 0 EEAELP CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631183153 470088407 /nfs/dbraw/zinc/08/84/07/470088407.db2.gz AWKAWEWLROOJJN-MOPGFXCFSA-N 2 2 334.460 2.055 10 0 EEAELP Cc1c[nH]c(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000628324697 470091778 /nfs/dbraw/zinc/09/17/78/470091778.db2.gz FERBUIAQXCIKQT-ZWKOTPCHSA-N 2 2 326.444 2.193 10 0 EEAELP Cc1c[nH]c(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000628324697 470091782 /nfs/dbraw/zinc/09/17/82/470091782.db2.gz FERBUIAQXCIKQT-ZWKOTPCHSA-N 2 2 326.444 2.193 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C)CCC(F)(F)CC3)C2)CC1 ZINC000625523132 470160635 /nfs/dbraw/zinc/16/06/35/470160635.db2.gz ZKKQIBFWLZBHDL-AWEZNQCLSA-N 2 2 343.462 2.487 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C)CCC(F)(F)CC3)C2)CC1 ZINC000625523132 470160637 /nfs/dbraw/zinc/16/06/37/470160637.db2.gz ZKKQIBFWLZBHDL-AWEZNQCLSA-N 2 2 343.462 2.487 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC(C)C)C1CC[NH+](C)CC1)CC2 ZINC000625566567 470164231 /nfs/dbraw/zinc/16/42/31/470164231.db2.gz NEKPQCYGYOQXSD-MRXNPFEDSA-N 2 2 332.492 2.333 10 0 EEAELP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832985 470186191 /nfs/dbraw/zinc/18/61/91/470186191.db2.gz QPLWJCWPCOWIBJ-DOTOQJQBSA-N 2 2 342.487 2.418 10 0 EEAELP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631832985 470186192 /nfs/dbraw/zinc/18/61/92/470186192.db2.gz QPLWJCWPCOWIBJ-DOTOQJQBSA-N 2 2 342.487 2.418 10 0 EEAELP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832987 470186301 /nfs/dbraw/zinc/18/63/01/470186301.db2.gz QPLWJCWPCOWIBJ-RDJZCZTQSA-N 2 2 342.487 2.418 10 0 EEAELP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631832987 470186302 /nfs/dbraw/zinc/18/63/02/470186302.db2.gz QPLWJCWPCOWIBJ-RDJZCZTQSA-N 2 2 342.487 2.418 10 0 EEAELP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000631837997 470186472 /nfs/dbraw/zinc/18/64/72/470186472.db2.gz YMSPBSTXSVXEMB-PMACEKPBSA-N 3 2 345.531 2.258 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634643509 470273807 /nfs/dbraw/zinc/27/38/07/470273807.db2.gz DBTYTRYBWAADCZ-NMLACTOBSA-N 2 2 332.488 2.324 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)C1 ZINC000634643509 470273809 /nfs/dbraw/zinc/27/38/09/470273809.db2.gz DBTYTRYBWAADCZ-NMLACTOBSA-N 2 2 332.488 2.324 10 0 EEAELP C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000634644319 470273826 /nfs/dbraw/zinc/27/38/26/470273826.db2.gz SKLUWAPKYSDOLB-QAPCUYQASA-N 2 2 333.407 2.013 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000648830952 470362341 /nfs/dbraw/zinc/36/23/41/470362341.db2.gz HHFKMIWDKLTPDP-MRXNPFEDSA-N 2 2 341.459 2.449 10 0 EEAELP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000633377673 470446056 /nfs/dbraw/zinc/44/60/56/470446056.db2.gz RIOJULYZBRELKF-CYBMUJFWSA-N 2 2 328.416 2.224 10 0 EEAELP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000633377673 470446060 /nfs/dbraw/zinc/44/60/60/470446060.db2.gz RIOJULYZBRELKF-CYBMUJFWSA-N 2 2 328.416 2.224 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC(C)(C4CC4)CC3)C2)CC1 ZINC000633865456 470614327 /nfs/dbraw/zinc/61/43/27/470614327.db2.gz PZPSTLYEFWKNPB-QGZVFWFLSA-N 2 2 348.535 2.377 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC(C)(C4CC4)CC3)C2)CC1 ZINC000633865456 470614333 /nfs/dbraw/zinc/61/43/33/470614333.db2.gz PZPSTLYEFWKNPB-QGZVFWFLSA-N 2 2 348.535 2.377 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000633884907 470618485 /nfs/dbraw/zinc/61/84/85/470618485.db2.gz HBGSLDUINIVVTO-SFHVURJKSA-N 2 2 326.444 2.444 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000633884907 470618487 /nfs/dbraw/zinc/61/84/87/470618487.db2.gz HBGSLDUINIVVTO-SFHVURJKSA-N 2 2 326.444 2.444 10 0 EEAELP CC(C)Oc1cc[nH+]c(CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000649537222 470619560 /nfs/dbraw/zinc/61/95/60/470619560.db2.gz XIODCHUNEHWFHU-UHFFFAOYSA-N 2 2 333.476 2.413 10 0 EEAELP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000635997813 470841375 /nfs/dbraw/zinc/84/13/75/470841375.db2.gz JJBLCXAFNVZRCH-KBAYOESNSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000635997813 470841377 /nfs/dbraw/zinc/84/13/77/470841377.db2.gz JJBLCXAFNVZRCH-KBAYOESNSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000635997813 470841382 /nfs/dbraw/zinc/84/13/82/470841382.db2.gz JJBLCXAFNVZRCH-KBAYOESNSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000635997813 470841385 /nfs/dbraw/zinc/84/13/85/470841385.db2.gz JJBLCXAFNVZRCH-KBAYOESNSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2n(n1)CCCC2 ZINC000647290086 470876698 /nfs/dbraw/zinc/87/66/98/470876698.db2.gz WBWAZODZQQVWFX-HOTGVXAUSA-N 2 2 332.492 2.371 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2n(n1)CCCC2 ZINC000647295053 470878229 /nfs/dbraw/zinc/87/82/29/470878229.db2.gz YECUWPWESJLENY-JVPBZIDWSA-N 2 2 332.492 2.248 10 0 EEAELP CC[NH+](CC)CCNC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650549169 470907577 /nfs/dbraw/zinc/90/75/77/470907577.db2.gz NOPVAWVHAIWCAG-QGZVFWFLSA-N 2 2 343.475 2.345 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C[NH3+] ZINC000650715150 470949025 /nfs/dbraw/zinc/94/90/25/470949025.db2.gz RMKQLZUBKAQXOP-IUODEOHRSA-N 2 2 328.840 2.153 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C[NH3+] ZINC000650715150 470949028 /nfs/dbraw/zinc/94/90/28/470949028.db2.gz RMKQLZUBKAQXOP-IUODEOHRSA-N 2 2 328.840 2.153 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000644548040 470979311 /nfs/dbraw/zinc/97/93/11/470979311.db2.gz MFUNQVCXALDPAY-NWDGAFQWSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000644548040 470979315 /nfs/dbraw/zinc/97/93/15/470979315.db2.gz MFUNQVCXALDPAY-NWDGAFQWSA-N 2 2 333.259 2.417 10 0 EEAELP COc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000644625734 470999691 /nfs/dbraw/zinc/99/96/91/470999691.db2.gz NVWLLVHDJFLQFV-CQSZACIVSA-N 2 2 343.265 2.002 10 0 EEAELP COc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000644625734 470999694 /nfs/dbraw/zinc/99/96/94/470999694.db2.gz NVWLLVHDJFLQFV-CQSZACIVSA-N 2 2 343.265 2.002 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000651132497 471062558 /nfs/dbraw/zinc/06/25/58/471062558.db2.gz XPLFUGBPGUAVHW-UHFFFAOYSA-N 2 2 342.443 2.341 10 0 EEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651170768 471076549 /nfs/dbraw/zinc/07/65/49/471076549.db2.gz YQIDHXKGWOHSKL-XHSDSOJGSA-N 2 2 332.492 2.245 10 0 EEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651170768 471076556 /nfs/dbraw/zinc/07/65/56/471076556.db2.gz YQIDHXKGWOHSKL-XHSDSOJGSA-N 2 2 332.492 2.245 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+]CCc2ccc3c(c2)OC(F)(F)O3)n1C ZINC000652038356 471211800 /nfs/dbraw/zinc/21/18/00/471211800.db2.gz QSSZUGWAZMEDOM-UHFFFAOYSA-N 2 2 338.358 2.140 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)NCCC1(C[NH3+])CC1)c1cccc(F)c1 ZINC000652122047 471239335 /nfs/dbraw/zinc/23/93/35/471239335.db2.gz HIJLBEGVEVJZDM-HNNXBMFYSA-N 2 2 345.422 2.077 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000655009477 471248463 /nfs/dbraw/zinc/24/84/63/471248463.db2.gz FWLVEFHMPIOOKF-HXUWFJFHSA-N 2 2 329.488 2.499 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000655009477 471248466 /nfs/dbraw/zinc/24/84/66/471248466.db2.gz FWLVEFHMPIOOKF-HXUWFJFHSA-N 2 2 329.488 2.499 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341881 471289830 /nfs/dbraw/zinc/28/98/30/471289830.db2.gz KHVIXTCWJORMJP-GHTZIAJQSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000658341881 471289832 /nfs/dbraw/zinc/28/98/32/471289832.db2.gz KHVIXTCWJORMJP-GHTZIAJQSA-N 3 2 344.547 2.123 10 0 EEAELP CC(C)[NH+]1CCC(NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658343964 471291302 /nfs/dbraw/zinc/29/13/02/471291302.db2.gz MXDJSTRGQZLMQN-OAQYLSRUSA-N 2 2 344.547 2.265 10 0 EEAELP CC(C)[NH+]1CCC(NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658343964 471291304 /nfs/dbraw/zinc/29/13/04/471291304.db2.gz MXDJSTRGQZLMQN-OAQYLSRUSA-N 2 2 344.547 2.265 10 0 EEAELP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 ZINC000658343964 471291305 /nfs/dbraw/zinc/29/13/05/471291305.db2.gz MXDJSTRGQZLMQN-OAQYLSRUSA-N 2 2 344.547 2.265 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660734234 471464741 /nfs/dbraw/zinc/46/47/41/471464741.db2.gz JIRPMZGUJGYNKJ-MRXNPFEDSA-N 2 2 335.496 2.459 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653159799 471513534 /nfs/dbraw/zinc/51/35/34/471513534.db2.gz NTSIPWJOMFZYRA-ROUUACIJSA-N 2 2 347.890 2.345 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653159799 471513537 /nfs/dbraw/zinc/51/35/37/471513537.db2.gz NTSIPWJOMFZYRA-ROUUACIJSA-N 2 2 347.890 2.345 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669496487 471522132 /nfs/dbraw/zinc/52/21/32/471522132.db2.gz ZVQSBMXFVBYSAQ-DLBZAZTESA-N 2 2 347.507 2.460 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CCC2(CC2(F)F)CC1 ZINC000666848902 471560394 /nfs/dbraw/zinc/56/03/94/471560394.db2.gz AIXHQWZIMNFJRH-UHFFFAOYSA-N 2 2 346.466 2.137 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CCC2(CC2(F)F)CC1 ZINC000666848902 471560398 /nfs/dbraw/zinc/56/03/98/471560398.db2.gz AIXHQWZIMNFJRH-UHFFFAOYSA-N 2 2 346.466 2.137 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660992789 471579984 /nfs/dbraw/zinc/57/99/84/471579984.db2.gz UGLUZEJGTNIKLN-CABCVRRESA-N 2 2 329.448 2.301 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)c1[nH+]ccn1C ZINC000660992789 471579987 /nfs/dbraw/zinc/57/99/87/471579987.db2.gz UGLUZEJGTNIKLN-CABCVRRESA-N 2 2 329.448 2.301 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000659474091 471646271 /nfs/dbraw/zinc/64/62/71/471646271.db2.gz QTDXUEYFJQQGKJ-LKTVYLICSA-N 2 2 342.846 2.131 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000659474091 471646281 /nfs/dbraw/zinc/64/62/81/471646281.db2.gz QTDXUEYFJQQGKJ-LKTVYLICSA-N 2 2 342.846 2.131 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3coc(C4CCCC4)n3)C2)CC1 ZINC000670191711 471688840 /nfs/dbraw/zinc/68/88/40/471688840.db2.gz KVZAFSJXPMYYIZ-HNNXBMFYSA-N 2 2 346.475 2.231 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3coc(C4CCCC4)n3)C2)CC1 ZINC000670191711 471688842 /nfs/dbraw/zinc/68/88/42/471688842.db2.gz KVZAFSJXPMYYIZ-HNNXBMFYSA-N 2 2 346.475 2.231 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000659623266 471702915 /nfs/dbraw/zinc/70/29/15/471702915.db2.gz FVCVKILKQQBKEN-QGZVFWFLSA-N 2 2 343.475 2.446 10 0 EEAELP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)c1[nH+]ccn1C ZINC000667255970 471711547 /nfs/dbraw/zinc/71/15/47/471711547.db2.gz ANWFUJJHLXCVOB-AWEZNQCLSA-N 2 2 347.438 2.394 10 0 EEAELP C[C@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667254785 471711726 /nfs/dbraw/zinc/71/17/26/471711726.db2.gz ZWQQRZBPCAZZJA-DOTOQJQBSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667254785 471711731 /nfs/dbraw/zinc/71/17/31/471711731.db2.gz ZWQQRZBPCAZZJA-DOTOQJQBSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@@H](NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667254786 471712081 /nfs/dbraw/zinc/71/20/81/471712081.db2.gz ZWQQRZBPCAZZJA-NVXWUHKLSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667254786 471712084 /nfs/dbraw/zinc/71/20/84/471712084.db2.gz ZWQQRZBPCAZZJA-NVXWUHKLSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCC(F)CC1 ZINC000664540085 471787805 /nfs/dbraw/zinc/78/78/05/471787805.db2.gz UFCYPIYKYMHNMV-QQFBHYJXSA-N 2 2 342.503 2.228 10 0 EEAELP CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667566204 471824873 /nfs/dbraw/zinc/82/48/73/471824873.db2.gz QMHWBHWIRSBAOU-INIZCTEOSA-N 2 2 341.459 2.252 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cnc(N)s2)cc1F ZINC000656790331 471841417 /nfs/dbraw/zinc/84/14/17/471841417.db2.gz VLMGJEHVMDCBEZ-JSGCOSHPSA-N 2 2 336.436 2.108 10 0 EEAELP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000667710182 471876009 /nfs/dbraw/zinc/87/60/09/471876009.db2.gz XYPNUAWVYDXQQC-KZNAEPCWSA-N 2 2 328.416 2.036 10 0 EEAELP CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000667710182 471876013 /nfs/dbraw/zinc/87/60/13/471876013.db2.gz XYPNUAWVYDXQQC-KZNAEPCWSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)c1[nH+]ccn1C ZINC000660215321 471907978 /nfs/dbraw/zinc/90/79/78/471907978.db2.gz PNVMGSSGPPRFRD-KBPBESRZSA-N 2 2 331.420 2.210 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(Cl)ccc1F ZINC000665250993 471980792 /nfs/dbraw/zinc/98/07/92/471980792.db2.gz DQDDNKSRAAGJPU-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(Cl)ccc1F ZINC000665250993 471980798 /nfs/dbraw/zinc/98/07/98/471980798.db2.gz DQDDNKSRAAGJPU-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000662092579 471981853 /nfs/dbraw/zinc/98/18/53/471981853.db2.gz QWEYVNCRXYWOTR-HOCLYGCPSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)c1[nH+]ccn1C ZINC000662092579 471981857 /nfs/dbraw/zinc/98/18/57/471981857.db2.gz QWEYVNCRXYWOTR-HOCLYGCPSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1[nH+]ccn1C ZINC000662097005 471984090 /nfs/dbraw/zinc/98/40/90/471984090.db2.gz WPEOPBXURLSNMP-CQSZACIVSA-N 2 2 342.447 2.092 10 0 EEAELP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000665267791 471986108 /nfs/dbraw/zinc/98/61/08/471986108.db2.gz BXXMRLBPNUPDBY-CQSZACIVSA-N 2 2 348.482 2.383 10 0 EEAELP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)C1CCC(F)(F)CC1 ZINC000665267791 471986112 /nfs/dbraw/zinc/98/61/12/471986112.db2.gz BXXMRLBPNUPDBY-CQSZACIVSA-N 2 2 348.482 2.383 10 0 EEAELP CN(Cc1c(C2CCC2)cnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000668161872 472032345 /nfs/dbraw/zinc/03/23/45/472032345.db2.gz HWADJQALJILFSI-GOSISDBHSA-N 2 2 345.535 2.288 10 0 EEAELP CN(Cc1c(C2CCC2)cnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668161872 472032347 /nfs/dbraw/zinc/03/23/47/472032347.db2.gz HWADJQALJILFSI-GOSISDBHSA-N 2 2 345.535 2.288 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668161872 472032350 /nfs/dbraw/zinc/03/23/50/472032350.db2.gz HWADJQALJILFSI-GOSISDBHSA-N 2 2 345.535 2.288 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668161872 472032354 /nfs/dbraw/zinc/03/23/54/472032354.db2.gz HWADJQALJILFSI-GOSISDBHSA-N 2 2 345.535 2.288 10 0 EEAELP Fc1ccc(-c2noc([C@@H]3CCC[N@H+](C[C@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662258129 472046733 /nfs/dbraw/zinc/04/67/33/472046733.db2.gz SDDDXFPVQKZZRK-GDBMZVCRSA-N 2 2 346.406 2.044 10 0 EEAELP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](C[C@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662258129 472046736 /nfs/dbraw/zinc/04/67/36/472046736.db2.gz SDDDXFPVQKZZRK-GDBMZVCRSA-N 2 2 346.406 2.044 10 0 EEAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318892 472068973 /nfs/dbraw/zinc/06/89/73/472068973.db2.gz AJIBBNVVGKBWBA-KZNAEPCWSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662318892 472068978 /nfs/dbraw/zinc/06/89/78/472068978.db2.gz AJIBBNVVGKBWBA-KZNAEPCWSA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](C)CCC[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)CCO1 ZINC000662322312 472070246 /nfs/dbraw/zinc/07/02/46/472070246.db2.gz GVGCUMOETJXERW-FQEVSTJZSA-N 2 2 342.487 2.474 10 0 EEAELP CCOCc1cc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)ccc1OC ZINC000668741739 472250017 /nfs/dbraw/zinc/25/00/17/472250017.db2.gz ZOXDHMOXNDSPAV-IBGZPJMESA-N 2 2 348.487 2.263 10 0 EEAELP CCOCc1cc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)ccc1OC ZINC000668741739 472250025 /nfs/dbraw/zinc/25/00/25/472250025.db2.gz ZOXDHMOXNDSPAV-IBGZPJMESA-N 2 2 348.487 2.263 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169122 472333550 /nfs/dbraw/zinc/33/35/50/472333550.db2.gz RSOVBGSKDOQKBF-HOCLYGCPSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000666169122 472333553 /nfs/dbraw/zinc/33/35/53/472333553.db2.gz RSOVBGSKDOQKBF-HOCLYGCPSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169122 472333558 /nfs/dbraw/zinc/33/35/58/472333558.db2.gz RSOVBGSKDOQKBF-HOCLYGCPSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000666169122 472333563 /nfs/dbraw/zinc/33/35/63/472333563.db2.gz RSOVBGSKDOQKBF-HOCLYGCPSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(C(F)(F)F)cnn2C)CCCO1 ZINC000657448632 485562571 /nfs/dbraw/zinc/56/25/71/485562571.db2.gz MRJGADYHVFVRSW-LBPRGKRZSA-N 2 2 334.386 2.029 10 0 EEAELP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(C(F)(F)F)cnn2C)CCCO1 ZINC000657448632 485562576 /nfs/dbraw/zinc/56/25/76/485562576.db2.gz MRJGADYHVFVRSW-LBPRGKRZSA-N 2 2 334.386 2.029 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@]1(CO)CCC[NH+](Cc2ccccc2)C1 ZINC000679044726 485572836 /nfs/dbraw/zinc/57/28/36/485572836.db2.gz QFCDLMJEGBONSN-QMMLZNLJSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@]1(CO)CCC[NH+](Cc2ccccc2)C1 ZINC000679044726 485572843 /nfs/dbraw/zinc/57/28/43/485572843.db2.gz QFCDLMJEGBONSN-QMMLZNLJSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000679044726 485572849 /nfs/dbraw/zinc/57/28/49/485572849.db2.gz QFCDLMJEGBONSN-QMMLZNLJSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000679044726 485572856 /nfs/dbraw/zinc/57/28/56/485572856.db2.gz QFCDLMJEGBONSN-QMMLZNLJSA-N 2 2 343.515 2.086 10 0 EEAELP C[C@@H]1C[C@@H](N[C@@]2(CO)CCC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000679045966 485574426 /nfs/dbraw/zinc/57/44/26/485574426.db2.gz YLFNMRKVNZWHIR-QFUCXCTJSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@@H](N[C@@]2(CO)CCC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000679045966 485574433 /nfs/dbraw/zinc/57/44/33/485574433.db2.gz YLFNMRKVNZWHIR-QFUCXCTJSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@@H](N[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000679045966 485574437 /nfs/dbraw/zinc/57/44/37/485574437.db2.gz YLFNMRKVNZWHIR-QFUCXCTJSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@@H](N[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000679045966 485574444 /nfs/dbraw/zinc/57/44/44/485574444.db2.gz YLFNMRKVNZWHIR-QFUCXCTJSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@H](N[C@]2(CO)CCC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000679045967 485574674 /nfs/dbraw/zinc/57/46/74/485574674.db2.gz YLFNMRKVNZWHIR-SLYNCCJLSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@H](N[C@]2(CO)CCC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000679045967 485574679 /nfs/dbraw/zinc/57/46/79/485574679.db2.gz YLFNMRKVNZWHIR-SLYNCCJLSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@H](N[C@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000679045967 485574684 /nfs/dbraw/zinc/57/46/84/485574684.db2.gz YLFNMRKVNZWHIR-SLYNCCJLSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@H](N[C@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000679045967 485574689 /nfs/dbraw/zinc/57/46/89/485574689.db2.gz YLFNMRKVNZWHIR-SLYNCCJLSA-N 2 2 343.515 2.228 10 0 EEAELP CN(C[C@H]1CC=CCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000680082914 485884258 /nfs/dbraw/zinc/88/42/58/485884258.db2.gz BDRQDWPGUWNJIG-DLBZAZTESA-N 2 2 334.508 2.153 10 0 EEAELP CN(C[C@H]1CC=CCC1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000680082914 485884264 /nfs/dbraw/zinc/88/42/64/485884264.db2.gz BDRQDWPGUWNJIG-DLBZAZTESA-N 2 2 334.508 2.153 10 0 EEAELP COc1ccccc1/C=C\C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678258680 486605323 /nfs/dbraw/zinc/60/53/23/486605323.db2.gz IYUWVRLZDACNLH-ZXYDQQDNSA-N 2 2 329.488 2.420 10 0 EEAELP COc1ccccc1/C=C\C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258680 486605325 /nfs/dbraw/zinc/60/53/25/486605325.db2.gz IYUWVRLZDACNLH-ZXYDQQDNSA-N 2 2 329.488 2.420 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccsc2C(=O)OC)C1 ZINC000446784008 535550708 /nfs/dbraw/zinc/55/07/08/535550708.db2.gz HHTINCMBIAHLKP-HNNXBMFYSA-N 2 2 340.489 2.467 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccsc2C(=O)OC)C1 ZINC000446784008 535550714 /nfs/dbraw/zinc/55/07/14/535550714.db2.gz HHTINCMBIAHLKP-HNNXBMFYSA-N 2 2 340.489 2.467 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000110954141 535994926 /nfs/dbraw/zinc/99/49/26/535994926.db2.gz INJLMGFCAFDNJK-IBGZPJMESA-N 2 2 345.487 2.075 10 0 EEAELP C[N@H+](CCOC(=O)CCc1ccc(N)[nH+]c1)Cc1ccc(F)cc1 ZINC000769123863 577570391 /nfs/dbraw/zinc/57/03/91/577570391.db2.gz QBFKGFOGIUMFSJ-UHFFFAOYSA-N 2 2 331.391 2.411 10 0 EEAELP C[N@@H+](CCOC(=O)CCc1ccc(N)[nH+]c1)Cc1ccc(F)cc1 ZINC000769123863 577570392 /nfs/dbraw/zinc/57/03/92/577570392.db2.gz QBFKGFOGIUMFSJ-UHFFFAOYSA-N 2 2 331.391 2.411 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CN1CCOC1=S ZINC000755763087 577830590 /nfs/dbraw/zinc/83/05/90/577830590.db2.gz NZNYFCSSKYHPGC-CQSZACIVSA-N 2 2 330.457 2.384 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CN1CCOC1=S ZINC000755763087 577830591 /nfs/dbraw/zinc/83/05/91/577830591.db2.gz NZNYFCSSKYHPGC-CQSZACIVSA-N 2 2 330.457 2.384 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C ZINC000745785907 577918538 /nfs/dbraw/zinc/91/85/38/577918538.db2.gz BZNVNRQIYSLFIS-ZFWWWQNUSA-N 2 2 334.464 2.331 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000745785907 577918539 /nfs/dbraw/zinc/91/85/39/577918539.db2.gz BZNVNRQIYSLFIS-ZFWWWQNUSA-N 2 2 334.464 2.331 10 0 EEAELP COc1ccc2c(NCC(C)(C)[NH+]3CCS(=O)CC3)cc[nH+]c2c1 ZINC000746466053 577928192 /nfs/dbraw/zinc/92/81/92/577928192.db2.gz LQJIZTZIKBXCTF-UHFFFAOYSA-N 2 2 347.484 2.498 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(O)cc(F)c1 ZINC000925020970 682521296 /nfs/dbraw/zinc/52/12/96/682521296.db2.gz URSZNFXJYQZMOG-CYBMUJFWSA-N 2 2 337.439 2.125 10 0 EEAELP COC(=O)c1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)n1C ZINC000895113885 683951166 /nfs/dbraw/zinc/95/11/66/683951166.db2.gz YSAYDZPPNNATHJ-SHTZXODSSA-N 2 2 342.443 2.483 10 0 EEAELP CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@]2(c2nc(C)no2)C1 ZINC000257187313 684134417 /nfs/dbraw/zinc/13/44/17/684134417.db2.gz ANLAQLNDSVMGKW-PKOBYXMFSA-N 2 2 326.444 2.473 10 0 EEAELP CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@]2(c2nc(C)no2)C1 ZINC000257187313 684134419 /nfs/dbraw/zinc/13/44/19/684134419.db2.gz ANLAQLNDSVMGKW-PKOBYXMFSA-N 2 2 326.444 2.473 10 0 EEAELP CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@]2(c2nc(C)no2)C1 ZINC000257187313 684134422 /nfs/dbraw/zinc/13/44/22/684134422.db2.gz ANLAQLNDSVMGKW-PKOBYXMFSA-N 2 2 326.444 2.473 10 0 EEAELP CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@]2(c2nc(C)no2)C1 ZINC000257187313 684134424 /nfs/dbraw/zinc/13/44/24/684134424.db2.gz ANLAQLNDSVMGKW-PKOBYXMFSA-N 2 2 326.444 2.473 10 0 EEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC([NH+]2CCCC2)C1 ZINC000898612670 693395292 /nfs/dbraw/zinc/39/52/92/693395292.db2.gz KUGCFVJAUBZUIM-SFHVURJKSA-N 2 2 345.512 2.083 10 0 EEAELP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1 ZINC000898884222 693506865 /nfs/dbraw/zinc/50/68/65/693506865.db2.gz QDAZNXVILONIEX-KRWDZBQOSA-N 2 2 344.459 2.115 10 0 EEAELP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](CO)c2c[nH+]cn2C)cc1 ZINC000898884222 693506867 /nfs/dbraw/zinc/50/68/67/693506867.db2.gz QDAZNXVILONIEX-KRWDZBQOSA-N 2 2 344.459 2.115 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001485701293 1191905245 /nfs/dbraw/zinc/90/52/45/1191905245.db2.gz YKAZYZCISUZSKI-IJLUTSLNSA-N 2 2 345.274 2.021 10 0 EEAELP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cc(F)ccc2Cl)C1 ZINC001409924268 1192770664 /nfs/dbraw/zinc/77/06/64/1192770664.db2.gz FJVVFRXRUCNLFR-GFCCVEGCSA-N 2 2 341.858 2.367 10 0 EEAELP CN(CC[NH2+]Cc1ccccc1F)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266706424 1177235813 /nfs/dbraw/zinc/23/58/13/1177235813.db2.gz OKRMSZSCNIMZRK-UHFFFAOYSA-N 2 2 344.434 2.149 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001671308931 1178050356 /nfs/dbraw/zinc/05/03/56/1178050356.db2.gz TVPKZGMIJUKDKJ-RCCFBDPRSA-N 2 2 338.455 2.337 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001671308931 1178050365 /nfs/dbraw/zinc/05/03/65/1178050365.db2.gz TVPKZGMIJUKDKJ-RCCFBDPRSA-N 2 2 338.455 2.337 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC001481073607 1179684682 /nfs/dbraw/zinc/68/46/82/1179684682.db2.gz PFWHKABAAQDJIG-CABCVRRESA-N 2 2 340.418 2.289 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC001481073607 1179684687 /nfs/dbraw/zinc/68/46/87/1179684687.db2.gz PFWHKABAAQDJIG-CABCVRRESA-N 2 2 340.418 2.289 10 0 EEAELP C[C@H]1CCCC[C@@]1(C[NH2+]CCOC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001267871388 1180660062 /nfs/dbraw/zinc/66/00/62/1180660062.db2.gz FPDGQXWYOZANPA-LPHOPBHVSA-N 2 2 348.491 2.107 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH2+]Cc3cncs3)ccn12 ZINC001267986372 1180921832 /nfs/dbraw/zinc/92/18/32/1180921832.db2.gz KVFIGFZIBPVMST-GFCCVEGCSA-N 2 2 343.456 2.255 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001481558844 1181718406 /nfs/dbraw/zinc/71/84/06/1181718406.db2.gz DQTCUWOQUWARSL-NVXWUHKLSA-N 2 2 348.491 2.156 10 0 EEAELP O=C(N[C@@H](C[NH2+]CCCO)C1CCCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001268121025 1181767921 /nfs/dbraw/zinc/76/79/21/1181767921.db2.gz YLEHBPVCAUXYBZ-SFHVURJKSA-N 2 2 344.459 2.214 10 0 EEAELP CC/C=C/CC[NH+]1CC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001268452576 1182663290 /nfs/dbraw/zinc/66/32/90/1182663290.db2.gz BAVIFQCPRGORQZ-IPLHWJFFSA-N 2 2 325.472 2.356 10 0 EEAELP CC/C=C/CC[NH+]1CC(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001268452576 1182663295 /nfs/dbraw/zinc/66/32/95/1182663295.db2.gz BAVIFQCPRGORQZ-IPLHWJFFSA-N 2 2 325.472 2.356 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001481777956 1182678334 /nfs/dbraw/zinc/67/83/34/1182678334.db2.gz KYTGVCWKKKZTHG-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001481777956 1182678339 /nfs/dbraw/zinc/67/83/39/1182678339.db2.gz KYTGVCWKKKZTHG-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001268499227 1183027461 /nfs/dbraw/zinc/02/74/61/1183027461.db2.gz HQFUHSBQYNKCHH-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268663089 1183592166 /nfs/dbraw/zinc/59/21/66/1183592166.db2.gz FGTFZCLFHWKCPS-OLZOCXBDSA-N 2 2 335.839 2.177 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccc(Cl)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268667846 1183594068 /nfs/dbraw/zinc/59/40/68/1183594068.db2.gz ZCZUFFSONONBJZ-YWVDXFKGSA-N 2 2 332.835 2.413 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268803836 1183722083 /nfs/dbraw/zinc/72/20/83/1183722083.db2.gz REROBZUENBMVPZ-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP CCCCC[N@@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001482206244 1183979713 /nfs/dbraw/zinc/97/97/13/1183979713.db2.gz CVFFCXTWVXOYMJ-MOPGFXCFSA-N 2 2 347.503 2.297 10 0 EEAELP CCCCC[N@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001482206244 1183979716 /nfs/dbraw/zinc/97/97/16/1183979716.db2.gz CVFFCXTWVXOYMJ-MOPGFXCFSA-N 2 2 347.503 2.297 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CCCC1 ZINC001482233687 1184421602 /nfs/dbraw/zinc/42/16/02/1184421602.db2.gz NHOYXYZJTMUWHT-UHFFFAOYSA-N 2 2 347.488 2.244 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CCCC1 ZINC001482239124 1184547555 /nfs/dbraw/zinc/54/75/55/1184547555.db2.gz PLFXUBNEQTUBOU-AWEZNQCLSA-N 2 2 340.418 2.337 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001269752475 1184590169 /nfs/dbraw/zinc/59/01/69/1184590169.db2.gz ZCFZLXXJKPBMPE-QGZVFWFLSA-N 2 2 332.492 2.371 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1cscn1)C1CCCCC1 ZINC001482412029 1185643119 /nfs/dbraw/zinc/64/31/19/1185643119.db2.gz JNXUXHOPDHPHRT-MRXNPFEDSA-N 2 2 347.488 2.195 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccns1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271035761 1185832736 /nfs/dbraw/zinc/83/27/36/1185832736.db2.gz ODYZLTNUOWDPEM-ZDUSSCGKSA-N 2 2 343.456 2.084 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001271544118 1186303300 /nfs/dbraw/zinc/30/33/00/1186303300.db2.gz NGGPGLJBEGYZCF-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001271544118 1186303305 /nfs/dbraw/zinc/30/33/05/1186303305.db2.gz NGGPGLJBEGYZCF-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](O)C[NH2+]CCCC(C)(C)C)ccn12 ZINC001482729739 1187696465 /nfs/dbraw/zinc/69/64/65/1187696465.db2.gz PVEAXKIUWYFCLC-MRXNPFEDSA-N 2 2 346.475 2.149 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2cncs2)c[nH+]1 ZINC001482844304 1187763488 /nfs/dbraw/zinc/76/34/88/1187763488.db2.gz YAHYQNXIVHHWTK-LBPRGKRZSA-N 2 2 335.477 2.068 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482846456 1187765036 /nfs/dbraw/zinc/76/50/36/1187765036.db2.gz UAZSYNYBKJSZJG-ZBFHGGJFSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001483026290 1188032083 /nfs/dbraw/zinc/03/20/83/1188032083.db2.gz IFMCRHBSEITEIJ-ZMUQKWFASA-N 2 2 338.455 2.216 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1 ZINC001483038096 1188082008 /nfs/dbraw/zinc/08/20/08/1188082008.db2.gz RUZVACNKODNDGE-NSCUHMNNSA-N 2 2 346.862 2.468 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001483136855 1188691544 /nfs/dbraw/zinc/69/15/44/1188691544.db2.gz FTKXIWRESBZXTG-DJIMGWMZSA-N 2 2 326.444 2.159 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001483136855 1188691546 /nfs/dbraw/zinc/69/15/46/1188691546.db2.gz FTKXIWRESBZXTG-DJIMGWMZSA-N 2 2 326.444 2.159 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001409345835 1189552692 /nfs/dbraw/zinc/55/26/92/1189552692.db2.gz FHWXGHZUPPKSJA-KGLIPLIRSA-N 2 2 345.418 2.455 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCc1cccs1 ZINC001485895391 1193633158 /nfs/dbraw/zinc/63/31/58/1193633158.db2.gz RRZNVVGNQOLQJI-CABCVRRESA-N 2 2 346.500 2.186 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ncc(C2CC2)o1)[NH+]1CCCCCC1 ZINC001483271384 1190297932 /nfs/dbraw/zinc/29/79/32/1190297932.db2.gz UELBGFSRDXBOBH-LSDHHAIUSA-N 2 2 348.491 2.411 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001483287105 1190311239 /nfs/dbraw/zinc/31/12/39/1190311239.db2.gz LQMZARIUVBGLLQ-WCQYABFASA-N 2 2 328.407 2.180 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC1CCCC1)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001483569748 1190558845 /nfs/dbraw/zinc/55/88/45/1190558845.db2.gz CCMYFSQPXURHHL-IRXDYDNUSA-N 2 2 330.476 2.120 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C[NH2+]Cc1ccccc1F)C1CC1 ZINC001483591111 1190574230 /nfs/dbraw/zinc/57/42/30/1190574230.db2.gz BHHMAUNDRLWGTB-UGSOOPFHSA-N 2 2 344.434 2.412 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C[NH2+]Cc1ccccc1F)C1CC1 ZINC001483591111 1190574233 /nfs/dbraw/zinc/57/42/33/1190574233.db2.gz BHHMAUNDRLWGTB-UGSOOPFHSA-N 2 2 344.434 2.412 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cscn1)[NH+](C)C ZINC001409831421 1190664144 /nfs/dbraw/zinc/66/41/44/1190664144.db2.gz WRMONCKZSXGPLN-HZPDHXFCSA-N 2 2 338.521 2.344 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CCCCC[N@H+]1Cc1cscn1)[NH+](C)C ZINC001409831421 1190664145 /nfs/dbraw/zinc/66/41/45/1190664145.db2.gz WRMONCKZSXGPLN-HZPDHXFCSA-N 2 2 338.521 2.344 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001272475277 1190840781 /nfs/dbraw/zinc/84/07/81/1190840781.db2.gz NZIXRSBOECXGAK-QZTJIDSGSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCCC(F)(F)F ZINC001484377909 1191321389 /nfs/dbraw/zinc/32/13/89/1191321389.db2.gz KPQUJSOHDRNNOW-OLZOCXBDSA-N 2 2 346.397 2.369 10 0 EEAELP CC[C@@H](C[NH2+]CC[C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1)OC ZINC001484530010 1191400092 /nfs/dbraw/zinc/40/00/92/1191400092.db2.gz OXOKHBBUCYBRSC-HOTGVXAUSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001484898213 1191568034 /nfs/dbraw/zinc/56/80/34/1191568034.db2.gz FBEBYIMRIAMRAF-BBRMVZONSA-N 2 2 332.473 2.083 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484899076 1191568402 /nfs/dbraw/zinc/56/84/02/1191568402.db2.gz KLUNVXRZQUEEOF-YJBOKZPZSA-N 2 2 326.444 2.022 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC001485235300 1191701146 /nfs/dbraw/zinc/70/11/46/1191701146.db2.gz UZRVDTCYZWJSEK-STQMWFEESA-N 2 2 349.504 2.320 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)C[NH2+]CCC(F)(F)F ZINC001485266712 1191711649 /nfs/dbraw/zinc/71/16/49/1191711649.db2.gz XCHVAORDADIAEG-UHFFFAOYSA-N 2 2 334.386 2.287 10 0 EEAELP COc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001485355567 1191760447 /nfs/dbraw/zinc/76/04/47/1191760447.db2.gz GFEKDFISNCPIBG-HOTGVXAUSA-N 2 2 344.459 2.480 10 0 EEAELP COc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001485355567 1191760450 /nfs/dbraw/zinc/76/04/50/1191760450.db2.gz GFEKDFISNCPIBG-HOTGVXAUSA-N 2 2 344.459 2.480 10 0 EEAELP Cc1ccc(C[N@H+]2CC=C(CNC(=O)Cn3cc[nH+]c3)CC2)c(C)c1 ZINC001486522085 1194044321 /nfs/dbraw/zinc/04/43/21/1194044321.db2.gz WBSJGAWHCXCZFD-UHFFFAOYSA-N 2 2 338.455 2.448 10 0 EEAELP Cc1ccc(C[N@@H+]2CC=C(CNC(=O)Cn3cc[nH+]c3)CC2)c(C)c1 ZINC001486522085 1194044324 /nfs/dbraw/zinc/04/43/24/1194044324.db2.gz WBSJGAWHCXCZFD-UHFFFAOYSA-N 2 2 338.455 2.448 10 0 EEAELP Cc1cccc(C)c1C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001409966495 1194694083 /nfs/dbraw/zinc/69/40/83/1194694083.db2.gz ICHTUKHGNHQCDH-INIZCTEOSA-N 2 2 326.444 2.137 10 0 EEAELP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001410295960 1197676342 /nfs/dbraw/zinc/67/63/42/1197676342.db2.gz PQUAVZGFODBHDH-MSOLQXFVSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1cccc(F)c1 ZINC001410387699 1197785329 /nfs/dbraw/zinc/78/53/29/1197785329.db2.gz QGUADRMJEGDWKC-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)on1 ZINC001410387737 1197785602 /nfs/dbraw/zinc/78/56/02/1197785602.db2.gz FXRRJSQNROWKFI-NVXWUHKLSA-N 2 2 347.463 2.403 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(Cl)cc1 ZINC000872153995 1198061062 /nfs/dbraw/zinc/06/10/62/1198061062.db2.gz QKIBKFGEQNLCAE-ACXGAUJLSA-N 2 2 335.879 2.447 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccc(Cl)cc1 ZINC000872153995 1198061071 /nfs/dbraw/zinc/06/10/71/1198061071.db2.gz QKIBKFGEQNLCAE-ACXGAUJLSA-N 2 2 335.879 2.447 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@H]2C)co1 ZINC001410919227 1198582971 /nfs/dbraw/zinc/58/29/71/1198582971.db2.gz GDSIRWVJHBHXFN-CRAIPNDOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)[C@H]2C)co1 ZINC001410919227 1198582974 /nfs/dbraw/zinc/58/29/74/1198582974.db2.gz GDSIRWVJHBHXFN-CRAIPNDOSA-N 2 2 348.491 2.328 10 0 EEAELP CC1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@@H]1[NH2+]C/C=C/Cl ZINC001410975727 1198653551 /nfs/dbraw/zinc/65/35/51/1198653551.db2.gz KZVJWXUENYQYBY-ROAXPNGRSA-N 2 2 336.867 2.025 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000868757800 1201872991 /nfs/dbraw/zinc/87/29/91/1201872991.db2.gz DPQWDNUGEWXPMN-NVXWUHKLSA-N 2 2 330.476 2.345 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000868757800 1201872995 /nfs/dbraw/zinc/87/29/95/1201872995.db2.gz DPQWDNUGEWXPMN-NVXWUHKLSA-N 2 2 330.476 2.345 10 0 EEAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000868757800 1201873002 /nfs/dbraw/zinc/87/30/02/1201873002.db2.gz DPQWDNUGEWXPMN-NVXWUHKLSA-N 2 2 330.476 2.345 10 0 EEAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@H+]2C)C1 ZINC000869106433 1201941759 /nfs/dbraw/zinc/94/17/59/1201941759.db2.gz NQTDBQVXCCJHTD-AEFFLSMTSA-N 2 2 330.476 2.299 10 0 EEAELP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)C1 ZINC000869106433 1201941760 /nfs/dbraw/zinc/94/17/60/1201941760.db2.gz NQTDBQVXCCJHTD-AEFFLSMTSA-N 2 2 330.476 2.299 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001274083010 1204359482 /nfs/dbraw/zinc/35/94/82/1204359482.db2.gz XCZLDBWFFIPPJN-IHWYPQMZSA-N 2 2 330.407 2.252 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001274083010 1204359487 /nfs/dbraw/zinc/35/94/87/1204359487.db2.gz XCZLDBWFFIPPJN-IHWYPQMZSA-N 2 2 330.407 2.252 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001274243847 1204972659 /nfs/dbraw/zinc/97/26/59/1204972659.db2.gz COMJFLUSLYYMRN-QFRLHKFZSA-N 2 2 342.418 2.362 10 0 EEAELP CC(C)(C(=O)NC/C=C/C[NH2+]Cc1coc(C2CC2)n1)[NH+]1CCCC1 ZINC001274253879 1204975501 /nfs/dbraw/zinc/97/55/01/1204975501.db2.gz PMPQFNRKDHBRQR-ONEGZZNKSA-N 2 2 346.475 2.188 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]CCCCC(F)(F)F)C1 ZINC001275299199 1205302130 /nfs/dbraw/zinc/30/21/30/1205302130.db2.gz KEMKPLGQVOBTSD-UHFFFAOYSA-N 2 2 332.370 2.169 10 0 EEAELP CC[N@@H+]1CCc2nc(NC(=O)c3ccc(C[NH+](C)C)o3)sc2C1 ZINC001411616844 1205456088 /nfs/dbraw/zinc/45/60/88/1205456088.db2.gz XDFOOPHNQBVBQB-UHFFFAOYSA-N 2 2 334.445 2.428 10 0 EEAELP CC[N@H+]1CCc2nc(NC(=O)c3ccc(C[NH+](C)C)o3)sc2C1 ZINC001411616844 1205456089 /nfs/dbraw/zinc/45/60/89/1205456089.db2.gz XDFOOPHNQBVBQB-UHFFFAOYSA-N 2 2 334.445 2.428 10 0 EEAELP C[C@H]1C[C@H](C[NH2+]CCCN(C)C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001276127844 1205790684 /nfs/dbraw/zinc/79/06/84/1205790684.db2.gz HJTDEOXJZYJZHL-JKSUJKDBSA-N 2 2 344.459 2.201 10 0 EEAELP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC3(OC)OC)cc2)CC1 ZINC000924692794 1206019301 /nfs/dbraw/zinc/01/93/01/1206019301.db2.gz RCDKUVBDXKPYAO-LJQANCHMSA-N 2 2 347.503 2.065 10 0 EEAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccnn1C1CCC1 ZINC000924903909 1206049126 /nfs/dbraw/zinc/04/91/26/1206049126.db2.gz YCDZONPOJXMUIU-CRAIPNDOSA-N 2 2 347.507 2.201 10 0 EEAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccnn1C1CCC1 ZINC000924903909 1206049127 /nfs/dbraw/zinc/04/91/27/1206049127.db2.gz YCDZONPOJXMUIU-CRAIPNDOSA-N 2 2 347.507 2.201 10 0 EEAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccnn1C1CCC1 ZINC000924903911 1206049284 /nfs/dbraw/zinc/04/92/84/1206049284.db2.gz YCDZONPOJXMUIU-MAUKXSAKSA-N 2 2 347.507 2.201 10 0 EEAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccnn1C1CCC1 ZINC000924903911 1206049287 /nfs/dbraw/zinc/04/92/87/1206049287.db2.gz YCDZONPOJXMUIU-MAUKXSAKSA-N 2 2 347.507 2.201 10 0 EEAELP Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)c(N(C)C)[nH+]1 ZINC000926076293 1206188686 /nfs/dbraw/zinc/18/86/86/1206188686.db2.gz GUJAWTRVKIGBCR-MNOVXSKESA-N 2 2 345.369 2.199 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000926079984 1206188991 /nfs/dbraw/zinc/18/89/91/1206188991.db2.gz LMBDSKSTXFRCIN-CXAGYDPISA-N 2 2 337.427 2.331 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926747770 1206240675 /nfs/dbraw/zinc/24/06/75/1206240675.db2.gz XYKKWHGBHYINNN-CABCVRRESA-N 2 2 336.867 2.042 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926747770 1206240677 /nfs/dbraw/zinc/24/06/77/1206240677.db2.gz XYKKWHGBHYINNN-CABCVRRESA-N 2 2 336.867 2.042 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)n1cc[nH+]c1 ZINC000928083231 1206336690 /nfs/dbraw/zinc/33/66/90/1206336690.db2.gz ZJWNFJXAMCIESB-OAGGEKHMSA-N 2 2 336.505 2.166 10 0 EEAELP CC(C)C[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)n1cc[nH+]c1 ZINC000928083231 1206336691 /nfs/dbraw/zinc/33/66/91/1206336691.db2.gz ZJWNFJXAMCIESB-OAGGEKHMSA-N 2 2 336.505 2.166 10 0 EEAELP CC(=O)NCCC[NH+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931214610 1206616535 /nfs/dbraw/zinc/61/65/35/1206616535.db2.gz OOSNWUKSGUYLQI-WOJBJXKFSA-N 2 2 329.488 2.357 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)s1 ZINC000902776672 1238499496 /nfs/dbraw/zinc/49/94/96/1238499496.db2.gz MLROXOPBZFRRPA-JTQLQIEISA-N 2 2 335.395 2.192 10 0 EEAELP c1csc(C2([NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)CCCC2)n1 ZINC000903899800 1242397264 /nfs/dbraw/zinc/39/72/64/1242397264.db2.gz VJOFRJFNWZBHSF-ZDUSSCGKSA-N 2 2 332.477 2.218 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001491456049 1259099219 /nfs/dbraw/zinc/09/92/19/1259099219.db2.gz VVPMTEJODGGAET-LSDHHAIUSA-N 2 2 336.480 2.265 10 0 EEAELP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccn1)[NH+]1CCCCCC1 ZINC001488666824 1290118610 /nfs/dbraw/zinc/11/86/10/1290118610.db2.gz HFZNKOXOTYGNDE-IEBWSBKVSA-N 2 2 344.503 2.379 10 0 EEAELP C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccn1)[NH+]1CCCCCC1 ZINC001488666824 1290118614 /nfs/dbraw/zinc/11/86/14/1290118614.db2.gz HFZNKOXOTYGNDE-IEBWSBKVSA-N 2 2 344.503 2.379 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@@H]2CN(C)C(=O)CCC[NH+]2CCCCC2)o1 ZINC001488694756 1290139276 /nfs/dbraw/zinc/13/92/76/1290139276.db2.gz WGNUXAIZDGOIFA-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@@H]2CN(C)C(=O)CCC[NH+]2CCCCC2)o1 ZINC001488694756 1290139287 /nfs/dbraw/zinc/13/92/87/1290139287.db2.gz WGNUXAIZDGOIFA-QGZVFWFLSA-N 2 2 348.491 2.282 10 0 EEAELP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)Cc1nccs1 ZINC001489330754 1290513312 /nfs/dbraw/zinc/51/33/12/1290513312.db2.gz NJEYISQUPIBSHY-HNNXBMFYSA-N 2 2 338.521 2.298 10 0 EEAELP CC[N@@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)Cc1nccs1 ZINC001489330754 1290513319 /nfs/dbraw/zinc/51/33/19/1290513319.db2.gz NJEYISQUPIBSHY-HNNXBMFYSA-N 2 2 338.521 2.298 10 0 EEAELP CC[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1nccs1 ZINC001489330754 1290513326 /nfs/dbraw/zinc/51/33/26/1290513326.db2.gz NJEYISQUPIBSHY-HNNXBMFYSA-N 2 2 338.521 2.298 10 0 EEAELP CC[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1nccs1 ZINC001489330754 1290513329 /nfs/dbraw/zinc/51/33/29/1290513329.db2.gz NJEYISQUPIBSHY-HNNXBMFYSA-N 2 2 338.521 2.298 10 0 EEAELP CO[C@@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001489333999 1290514636 /nfs/dbraw/zinc/51/46/36/1290514636.db2.gz DTVSIIDWIWEHBB-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@@H](C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1)C1CCC1 ZINC001489333999 1290514638 /nfs/dbraw/zinc/51/46/38/1290514638.db2.gz DTVSIIDWIWEHBB-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001490548807 1291421527 /nfs/dbraw/zinc/42/15/27/1291421527.db2.gz KSLMWNZGURALLY-ZBFHGGJFSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001490548807 1291421532 /nfs/dbraw/zinc/42/15/32/1291421532.db2.gz KSLMWNZGURALLY-ZBFHGGJFSA-N 2 2 338.883 2.012 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760528 1292189446 /nfs/dbraw/zinc/18/94/46/1292189446.db2.gz HMMDSLYCOLUOFK-YOEHRIQHSA-N 2 2 328.403 2.041 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760528 1292189453 /nfs/dbraw/zinc/18/94/53/1292189453.db2.gz HMMDSLYCOLUOFK-YOEHRIQHSA-N 2 2 328.403 2.041 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000852783943 1292195923 /nfs/dbraw/zinc/19/59/23/1292195923.db2.gz ZAWOVMBXMNZJLJ-JKSUJKDBSA-N 2 2 345.487 2.215 10 0 EEAELP Cn1c[nH+]cc1CCC[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854079167 1292613091 /nfs/dbraw/zinc/61/30/91/1292613091.db2.gz JUBUTUPPGQHLSQ-UHFFFAOYSA-N 2 2 338.415 2.071 10 0 EEAELP CCn1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000857087542 1293716642 /nfs/dbraw/zinc/71/66/42/1293716642.db2.gz UETMAPRDQJPWLX-IEBWSBKVSA-N 2 2 327.476 2.470 10 0 EEAELP CCn1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000857087542 1293716645 /nfs/dbraw/zinc/71/66/45/1293716645.db2.gz UETMAPRDQJPWLX-IEBWSBKVSA-N 2 2 327.476 2.470 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CCn3c[nH+]cc32)CC1 ZINC000857983555 1293978299 /nfs/dbraw/zinc/97/82/99/1293978299.db2.gz SBOJMFJSEXFDQL-HNNXBMFYSA-N 2 2 325.416 2.064 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CCn3c[nH+]cc32)cc1 ZINC000857990417 1293981400 /nfs/dbraw/zinc/98/14/00/1293981400.db2.gz UAEKKEABFDPANR-QGZVFWFLSA-N 2 2 342.443 2.479 10 0 EEAELP O=C(NCCn1cc[nH+]c1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000858461749 1294122926 /nfs/dbraw/zinc/12/29/26/1294122926.db2.gz QCJNSHCDHAEFIV-GOSISDBHSA-N 2 2 338.455 2.302 10 0 EEAELP O=C(NCCn1cc[nH+]c1)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000858461749 1294122928 /nfs/dbraw/zinc/12/29/28/1294122928.db2.gz QCJNSHCDHAEFIV-GOSISDBHSA-N 2 2 338.455 2.302 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000859274447 1294372190 /nfs/dbraw/zinc/37/21/90/1294372190.db2.gz QJTJWTUZZWVKTG-VQIMIIECSA-N 2 2 333.476 2.077 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOC1CCOCC1 ZINC000859274447 1294372196 /nfs/dbraw/zinc/37/21/96/1294372196.db2.gz QJTJWTUZZWVKTG-VQIMIIECSA-N 2 2 333.476 2.077 10 0 EEAELP OC[C@]12C[N@H+](Cc3ccccc3)C[C@H]1C[NH+](Cc1ccccn1)CC2 ZINC000828808819 1296908439 /nfs/dbraw/zinc/90/84/39/1296908439.db2.gz VDHCKKISNWNNHL-CTNGQTDRSA-N 2 2 337.467 2.398 10 0 EEAELP OC[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH+](Cc1ccccn1)CC2 ZINC000828808819 1296908449 /nfs/dbraw/zinc/90/84/49/1296908449.db2.gz VDHCKKISNWNNHL-CTNGQTDRSA-N 2 2 337.467 2.398 10 0 EEAELP OC[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@H+](Cc1ccccn1)CC2 ZINC000828808819 1296908455 /nfs/dbraw/zinc/90/84/55/1296908455.db2.gz VDHCKKISNWNNHL-CTNGQTDRSA-N 2 2 337.467 2.398 10 0 EEAELP OC[C@]12C[NH+](Cc3ccccc3)C[C@H]1C[N@@H+](Cc1ccccn1)CC2 ZINC000828808819 1296908456 /nfs/dbraw/zinc/90/84/56/1296908456.db2.gz VDHCKKISNWNNHL-CTNGQTDRSA-N 2 2 337.467 2.398 10 0 EEAELP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000927105945 1297017967 /nfs/dbraw/zinc/01/79/67/1297017967.db2.gz MPQRWELZMROOJQ-GOEBONIOSA-N 2 2 325.456 2.478 10 0 EEAELP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCOCC2)C1 ZINC000927105945 1297017980 /nfs/dbraw/zinc/01/79/80/1297017980.db2.gz MPQRWELZMROOJQ-GOEBONIOSA-N 2 2 325.456 2.478 10 0 EEAELP C[C@@]1(C[NH2+]CC=C(Cl)Cl)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278504390 1310889114 /nfs/dbraw/zinc/88/91/14/1310889114.db2.gz LNCSRQSWVAAXPO-HNNXBMFYSA-N 2 2 345.274 2.490 10 0 EEAELP C[C@@]1(C[NH2+]CC=C(Cl)Cl)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278504390 1310889120 /nfs/dbraw/zinc/88/91/20/1310889120.db2.gz LNCSRQSWVAAXPO-HNNXBMFYSA-N 2 2 345.274 2.490 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1I ZINC000841063715 1315465655 /nfs/dbraw/zinc/46/56/55/1315465655.db2.gz MYNSILBVIGZVNC-MFKMUULPSA-N 2 2 330.213 2.379 10 0 EEAELP CN(CCCNC(=O)c1cccc(CC[NH+](C)C)c1)c1cccc[nH+]1 ZINC001153119695 1316780207 /nfs/dbraw/zinc/78/02/07/1316780207.db2.gz RFZRJCYQSDBIDP-UHFFFAOYSA-N 2 2 340.471 2.442 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCCC[C@H]([NH2+]CCCF)C1 ZINC001264118361 1322631682 /nfs/dbraw/zinc/63/16/82/1322631682.db2.gz FVGPZEQLJHBFPC-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1coc(C2CC2)n1 ZINC001264986372 1322835118 /nfs/dbraw/zinc/83/51/18/1322835118.db2.gz INGLEUBYLQHFPF-KRWDZBQOSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1coc(C2CC2)n1 ZINC001264986372 1322835122 /nfs/dbraw/zinc/83/51/22/1322835122.db2.gz INGLEUBYLQHFPF-KRWDZBQOSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1coc(C2CC2)n1 ZINC001264986372 1322835126 /nfs/dbraw/zinc/83/51/26/1322835126.db2.gz INGLEUBYLQHFPF-KRWDZBQOSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1coc(C2CC2)n1 ZINC001264986372 1322835131 /nfs/dbraw/zinc/83/51/31/1322835131.db2.gz INGLEUBYLQHFPF-KRWDZBQOSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1nocc1C[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001265072816 1322907430 /nfs/dbraw/zinc/90/74/30/1322907430.db2.gz GTPYZAMIEZFADA-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1nocc1C[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001265072816 1322907432 /nfs/dbraw/zinc/90/74/32/1322907432.db2.gz GTPYZAMIEZFADA-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001265478439 1323175510 /nfs/dbraw/zinc/17/55/10/1323175510.db2.gz DBGXJAZLAMYSKJ-KWNLBSCQSA-N 2 2 345.491 2.383 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001265478439 1323175518 /nfs/dbraw/zinc/17/55/18/1323175518.db2.gz DBGXJAZLAMYSKJ-KWNLBSCQSA-N 2 2 345.491 2.383 10 0 EEAELP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265485123 1323178117 /nfs/dbraw/zinc/17/81/17/1323178117.db2.gz YFXNLESTFBUCEG-ZPPHWLAZSA-N 2 2 330.476 2.429 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCc1ccccc1 ZINC001265792180 1323383371 /nfs/dbraw/zinc/38/33/71/1323383371.db2.gz JDSVIMZIVUQDSY-SJLPKXTDSA-N 2 2 340.471 2.173 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC1CCC(F)(F)CC1 ZINC001265944912 1323507851 /nfs/dbraw/zinc/50/78/51/1323507851.db2.gz UWWJNMVQQSDKCN-UHFFFAOYSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)CC1CCC(F)(F)CC1 ZINC001265944912 1323507853 /nfs/dbraw/zinc/50/78/53/1323507853.db2.gz UWWJNMVQQSDKCN-UHFFFAOYSA-N 2 2 328.407 2.216 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@@H](C[NH2+]CC[C@H](C)F)C3)[nH+]c12 ZINC001266023011 1323574515 /nfs/dbraw/zinc/57/45/15/1323574515.db2.gz DBLVZVWHBBGOTA-HOTGVXAUSA-N 2 2 346.450 2.371 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CC/C=C/c2ccccc2)C1 ZINC001266022925 1323574730 /nfs/dbraw/zinc/57/47/30/1323574730.db2.gz BQJAHTUABNRCCC-SBLNNXNXSA-N 2 2 338.455 2.494 10 0 EEAELP COCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001266117745 1323688011 /nfs/dbraw/zinc/68/80/11/1323688011.db2.gz ZQMLPDLLBYBHKQ-OAHLLOKOSA-N 2 2 336.480 2.037 10 0 EEAELP COCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001266117745 1323688018 /nfs/dbraw/zinc/68/80/18/1323688018.db2.gz ZQMLPDLLBYBHKQ-OAHLLOKOSA-N 2 2 336.480 2.037 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001279575405 1323942427 /nfs/dbraw/zinc/94/24/27/1323942427.db2.gz FMOZAEKKMGMDCN-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1cc[nH+]c1 ZINC001279575405 1323942430 /nfs/dbraw/zinc/94/24/30/1323942430.db2.gz FMOZAEKKMGMDCN-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP CCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001279646038 1323968701 /nfs/dbraw/zinc/96/87/01/1323968701.db2.gz YQDLTAPVWDHOOL-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP CCCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001279646038 1323968703 /nfs/dbraw/zinc/96/87/03/1323968703.db2.gz YQDLTAPVWDHOOL-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001280218154 1324118567 /nfs/dbraw/zinc/11/85/67/1324118567.db2.gz BLRYEEPCZKTOPJ-CHWSQXEVSA-N 2 2 346.397 2.369 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001280218154 1324118570 /nfs/dbraw/zinc/11/85/70/1324118570.db2.gz BLRYEEPCZKTOPJ-CHWSQXEVSA-N 2 2 346.397 2.369 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001283043096 1325896939 /nfs/dbraw/zinc/89/69/39/1325896939.db2.gz CPNBHYQLNKDQBC-WKILWMFISA-N 2 2 330.476 2.213 10 0 EEAELP CCOCC[NH2+]C[C@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)C(C)(C)C ZINC001284602902 1326626531 /nfs/dbraw/zinc/62/65/31/1326626531.db2.gz FOAURPDXORAUJN-HNNXBMFYSA-N 2 2 338.496 2.084 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001491835116 1330268870 /nfs/dbraw/zinc/26/88/70/1330268870.db2.gz UNQVCDACYUGZDE-ARFHVFGLSA-N 2 2 336.455 2.102 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)sn1 ZINC001491875530 1330284236 /nfs/dbraw/zinc/28/42/36/1330284236.db2.gz VRKFALNEMGVYPR-KGLIPLIRSA-N 2 2 347.488 2.324 10 0 EEAELP Cc1cc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)sn1 ZINC001491875530 1330284239 /nfs/dbraw/zinc/28/42/39/1330284239.db2.gz VRKFALNEMGVYPR-KGLIPLIRSA-N 2 2 347.488 2.324 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001316809407 1331905623 /nfs/dbraw/zinc/90/56/23/1331905623.db2.gz BVLSNGZWNYXFNM-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001316809407 1331905626 /nfs/dbraw/zinc/90/56/26/1331905626.db2.gz BVLSNGZWNYXFNM-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001316809407 1331905630 /nfs/dbraw/zinc/90/56/30/1331905630.db2.gz BVLSNGZWNYXFNM-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC(C)(C)C1 ZINC001316809407 1331905632 /nfs/dbraw/zinc/90/56/32/1331905632.db2.gz BVLSNGZWNYXFNM-ARFHVFGLSA-N 2 2 348.491 2.157 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001317090438 1332075392 /nfs/dbraw/zinc/07/53/92/1332075392.db2.gz AUQGLIGSPWFSEJ-IYARVYRRSA-N 2 2 340.471 2.222 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001318608755 1332567485 /nfs/dbraw/zinc/56/74/85/1332567485.db2.gz YSCHWWZPLVHBAD-UONOGXRCSA-N 2 2 341.415 2.270 10 0 EEAELP C[C@@](C[NH2+]CCC(F)(F)F)(NC(=O)CCn1cc[nH+]c1)C1CC1 ZINC001318711168 1332581621 /nfs/dbraw/zinc/58/16/21/1332581621.db2.gz LJCPWGCYPXMDBZ-AWEZNQCLSA-N 2 2 332.370 2.100 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]CC[C@H]3CCOC3)ccn12 ZINC001319462531 1332705882 /nfs/dbraw/zinc/70/58/82/1332705882.db2.gz XMOLVWRWZYIPKT-HOCLYGCPSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001320652288 1332929811 /nfs/dbraw/zinc/92/98/11/1332929811.db2.gz KSPWNYDKMQXDIM-OAHLLOKOSA-N 2 2 343.475 2.395 10 0 EEAELP O=C(NCC=CC[NH2+]CC[C@H]1CCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001321119997 1333023517 /nfs/dbraw/zinc/02/35/17/1333023517.db2.gz DAFIRDBXRIUAMQ-DJYNDVHFSA-N 2 2 328.416 2.008 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321201138 1333043500 /nfs/dbraw/zinc/04/35/00/1333043500.db2.gz UFLXGQMFLOFRHP-KJPDOMRESA-N 2 2 334.464 2.044 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001321201138 1333043503 /nfs/dbraw/zinc/04/35/03/1333043503.db2.gz UFLXGQMFLOFRHP-KJPDOMRESA-N 2 2 334.464 2.044 10 0 EEAELP COCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001323671074 1333513150 /nfs/dbraw/zinc/51/31/50/1333513150.db2.gz YPHMLQDKQQGRGR-MQVJKMGUSA-N 2 2 348.491 2.226 10 0 EEAELP COCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001324318989 1333656851 /nfs/dbraw/zinc/65/68/51/1333656851.db2.gz QYOLHDXIQOISPU-HZPDHXFCSA-N 2 2 348.491 2.301 10 0 EEAELP COCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001324318989 1333656854 /nfs/dbraw/zinc/65/68/54/1333656854.db2.gz QYOLHDXIQOISPU-HZPDHXFCSA-N 2 2 348.491 2.301 10 0 EEAELP COCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001326725282 1334150506 /nfs/dbraw/zinc/15/05/06/1334150506.db2.gz HXBJLBYJTMSYAM-GOSISDBHSA-N 2 2 342.443 2.103 10 0 EEAELP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001328004795 1334377339 /nfs/dbraw/zinc/37/73/39/1334377339.db2.gz RRYQAWANNLDHIA-INIZCTEOSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001328492740 1334467892 /nfs/dbraw/zinc/46/78/92/1334467892.db2.gz WEYCCVPDHWNVJK-ONEGZZNKSA-N 2 2 346.475 2.002 10 0 EEAELP CC/C=C/CC[N@H+]1CCOC2(CCN(C(=O)Cc3c[nH+]c[nH]3)CC2)C1 ZINC001328492740 1334467893 /nfs/dbraw/zinc/46/78/93/1334467893.db2.gz WEYCCVPDHWNVJK-ONEGZZNKSA-N 2 2 346.475 2.002 10 0 EEAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)[NH2+]CCOCC1CCC1 ZINC001329068724 1334578869 /nfs/dbraw/zinc/57/88/69/1334578869.db2.gz MNRNJJFOIVAYRR-ZIAGYGMSSA-N 2 2 344.459 2.476 10 0 EEAELP c1ccc2nc(N3CCOCC3)c(C[NH2+]CCC[NH+]3CCC3)cc2c1 ZINC001332946508 1335935413 /nfs/dbraw/zinc/93/54/13/1335935413.db2.gz OCPSQPNTPQBOQE-UHFFFAOYSA-N 2 2 340.471 2.257 10 0 EEAELP Cc1cc(N(C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)nc(C(C)C)[nH+]1 ZINC001436006455 1342008161 /nfs/dbraw/zinc/00/81/61/1342008161.db2.gz PMNOQCPDHUFMBI-MRXNPFEDSA-N 2 2 347.507 2.334 10 0 EEAELP Cc1cc(N(C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)nc(C(C)C)[nH+]1 ZINC001436006455 1342008162 /nfs/dbraw/zinc/00/81/62/1342008162.db2.gz PMNOQCPDHUFMBI-MRXNPFEDSA-N 2 2 347.507 2.334 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001502748332 1342228247 /nfs/dbraw/zinc/22/82/47/1342228247.db2.gz RFSYWXQXASYYIA-ZFWWWQNUSA-N 2 2 332.473 2.083 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001567570730 1342785934 /nfs/dbraw/zinc/78/59/34/1342785934.db2.gz GBPLLGNDAOPJIF-INIZCTEOSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001567570730 1342785939 /nfs/dbraw/zinc/78/59/39/1342785939.db2.gz GBPLLGNDAOPJIF-INIZCTEOSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)CC[NH+]2CCCCC2)o1 ZINC001567611797 1342794179 /nfs/dbraw/zinc/79/41/79/1342794179.db2.gz VHRFPLHOQAHUSM-UHFFFAOYSA-N 2 2 336.480 2.222 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001570012121 1342999182 /nfs/dbraw/zinc/99/91/82/1342999182.db2.gz YYQKCYLMFNFWMK-CYBMUJFWSA-N 2 2 348.397 2.259 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CCC[NH2+]Cc3ccon3)ccn12 ZINC001571257632 1343171366 /nfs/dbraw/zinc/17/13/66/1343171366.db2.gz QJAUDLSQNGCSLN-ZDUSSCGKSA-N 2 2 341.415 2.319 10 0 EEAELP CCCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001571362079 1343199103 /nfs/dbraw/zinc/19/91/03/1343199103.db2.gz BFQWKDPVUHFCHE-AEFFLSMTSA-N 2 2 332.492 2.462 10 0 EEAELP CCC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001677253313 1357302286 /nfs/dbraw/zinc/30/22/86/1357302286.db2.gz QTANOIZJAJDQMR-CVEARBPZSA-N 2 2 335.496 2.321 10 0 EEAELP CCC[NH2+]C[C@H](NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001677253313 1357302290 /nfs/dbraw/zinc/30/22/90/1357302290.db2.gz QTANOIZJAJDQMR-CVEARBPZSA-N 2 2 335.496 2.321 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1=CC[N@H+](CC2CCC2)CC1 ZINC001677574617 1357360548 /nfs/dbraw/zinc/36/05/48/1357360548.db2.gz MRZYILBTPNBZKH-UHFFFAOYSA-N 2 2 329.444 2.181 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001677574617 1357360551 /nfs/dbraw/zinc/36/05/51/1357360551.db2.gz MRZYILBTPNBZKH-UHFFFAOYSA-N 2 2 329.444 2.181 10 0 EEAELP COCCCCC[NH2+][C@@H]1CCCCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001656908166 1354298525 /nfs/dbraw/zinc/29/85/25/1354298525.db2.gz DDNRIMQXUVZXFW-QGZVFWFLSA-N 2 2 336.480 2.061 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCOCC2CC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001660829216 1354546645 /nfs/dbraw/zinc/54/66/45/1354546645.db2.gz BXIUKGUVEXUWLS-MRXNPFEDSA-N 2 2 342.443 2.184 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCOCC2CC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001660829216 1354546647 /nfs/dbraw/zinc/54/66/47/1354546647.db2.gz BXIUKGUVEXUWLS-MRXNPFEDSA-N 2 2 342.443 2.184 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCCc1ccsc1 ZINC001662249711 1354768808 /nfs/dbraw/zinc/76/88/08/1354768808.db2.gz OUJIBGMHJCOIKP-BPLDGKMQSA-N 2 2 332.473 2.302 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCCc1ccsc1 ZINC001662249711 1354768814 /nfs/dbraw/zinc/76/88/14/1354768814.db2.gz OUJIBGMHJCOIKP-BPLDGKMQSA-N 2 2 332.473 2.302 10 0 EEAELP COCCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001663088606 1354911671 /nfs/dbraw/zinc/91/16/71/1354911671.db2.gz ZGQKKXQYQMDJIL-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP COCCC[N@H+]1CCC[C@H]1CCCNC(=O)c1cccc2[nH+]ccn21 ZINC001663088606 1354911676 /nfs/dbraw/zinc/91/16/76/1354911676.db2.gz ZGQKKXQYQMDJIL-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+]1CCCCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC001663508256 1354975295 /nfs/dbraw/zinc/97/52/95/1354975295.db2.gz KMLDSONDAPQQPE-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+]1CCCCCF)[C@@H]1CCc2[nH+]ccn2C1 ZINC001663508256 1354975298 /nfs/dbraw/zinc/97/52/98/1354975298.db2.gz KMLDSONDAPQQPE-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP CCC[NH2+]C[C@](C)(NC(=O)Cc1cn2cccc(C)c2[nH+]1)C1CC1 ZINC001666025997 1355427629 /nfs/dbraw/zinc/42/76/29/1355427629.db2.gz DNHMOGRIJJXXIW-IBGZPJMESA-N 2 2 328.460 2.470 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001666227530 1355489640 /nfs/dbraw/zinc/48/96/40/1355489640.db2.gz OWOJHNWRVFYEPV-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]CC[C@@H]2CCCO2)CC1 ZINC001666258700 1355498242 /nfs/dbraw/zinc/49/82/42/1355498242.db2.gz FEMGNPWGRCOHRH-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCOC1 ZINC001667307508 1355706125 /nfs/dbraw/zinc/70/61/25/1355706125.db2.gz ZDKRCKYOWKDZHW-ROUUACIJSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001668096426 1355869447 /nfs/dbraw/zinc/86/94/47/1355869447.db2.gz KNLPKEVPGTZNKG-RAIGVLPGSA-N 2 2 326.391 2.043 10 0 EEAELP C[C@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001668096426 1355869451 /nfs/dbraw/zinc/86/94/51/1355869451.db2.gz KNLPKEVPGTZNKG-RAIGVLPGSA-N 2 2 326.391 2.043 10 0 EEAELP C[C@H](CC[NH2+]C[C@@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001668152123 1355886101 /nfs/dbraw/zinc/88/61/01/1355886101.db2.gz DNLINYFOXQKPNV-CVEARBPZSA-N 2 2 342.443 2.007 10 0 EEAELP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001668473375 1355947619 /nfs/dbraw/zinc/94/76/19/1355947619.db2.gz OAEYWUGPNCTLEK-INIZCTEOSA-N 2 2 346.500 2.454 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC001669974505 1356254041 /nfs/dbraw/zinc/25/40/41/1356254041.db2.gz VVBFSIUYTAIGEJ-FUHWJXTLSA-N 2 2 348.491 2.034 10 0 EEAELP Cc1csc(C[NH2+]CCCN(C)C(=O)c2cccc3[nH+]ccn32)n1 ZINC001670174585 1356290830 /nfs/dbraw/zinc/29/08/30/1356290830.db2.gz ZBMGNUQMANPVOJ-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001672816291 1356591206 /nfs/dbraw/zinc/59/12/06/1356591206.db2.gz PFTTVWDNGTZCCI-DLBZAZTESA-N 2 2 330.476 2.074 10 0 EEAELP Cc1cccn2cc(CC(=O)NC3CC(C[NH2+]CC[C@H](C)F)C3)[nH+]c12 ZINC001674592524 1356861577 /nfs/dbraw/zinc/86/15/77/1356861577.db2.gz LURUHBXEADLRQL-FHERZECASA-N 2 2 346.450 2.418 10 0 EEAELP CC(C)OCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CCCCC1 ZINC001675185511 1356943635 /nfs/dbraw/zinc/94/36/35/1356943635.db2.gz YWEMMICGITUJKP-HZPDHXFCSA-N 2 2 348.491 2.347 10 0 EEAELP CC(C)OCC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CCCCC1 ZINC001675185511 1356943639 /nfs/dbraw/zinc/94/36/39/1356943639.db2.gz YWEMMICGITUJKP-HZPDHXFCSA-N 2 2 348.491 2.347 10 0 EEAELP C[C@@H](CCC[NH2+]CC[C@@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001675936776 1357073446 /nfs/dbraw/zinc/07/34/46/1357073446.db2.gz SISOJDBQDQDHGM-JKSUJKDBSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001698766501 1405051647 /nfs/dbraw/zinc/05/16/47/1405051647.db2.gz NPZCVZZKFJREMK-WBVHZDCISA-N 2 2 340.471 2.414 10 0 EEAELP CO[C@@H](C[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001699116131 1405270889 /nfs/dbraw/zinc/27/08/89/1405270889.db2.gz WAFHXCPUCSRJLG-ACJLOTCBSA-N 2 2 344.459 2.476 10 0 EEAELP C/C(=C/C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000907446835 784651223 /nfs/dbraw/zinc/65/12/23/784651223.db2.gz KZXKPXFXZLTAIK-AOYOVTADSA-N 2 2 345.487 2.073 10 0 EEAELP Cc1cc(C)c(N2CC[C@H]([NH2+][C@@H](C)C[C@H]3COCC[NH2+]3)C2=O)c(C)c1 ZINC000817923322 785075941 /nfs/dbraw/zinc/07/59/41/785075941.db2.gz IHTUALZDRFYGJY-BZSNNMDCSA-N 2 2 345.487 2.074 10 0 EEAELP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC1 ZINC000819033907 785390680 /nfs/dbraw/zinc/39/06/80/785390680.db2.gz JTXKDYIBBXUKSV-SFHVURJKSA-N 2 2 337.895 2.213 10 0 EEAELP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000908415775 785395774 /nfs/dbraw/zinc/39/57/74/785395774.db2.gz YDDONYUKXKMCPH-MAUKXSAKSA-N 2 2 341.459 2.160 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000844187506 788894632 /nfs/dbraw/zinc/89/46/32/788894632.db2.gz HKXPMLIMQKHLPI-CABCVRRESA-N 2 2 331.451 2.472 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000844187506 788894648 /nfs/dbraw/zinc/89/46/48/788894648.db2.gz HKXPMLIMQKHLPI-CABCVRRESA-N 2 2 331.451 2.472 10 0 EEAELP O=C1O[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CC1 ZINC000844322868 789024360 /nfs/dbraw/zinc/02/43/60/789024360.db2.gz JXWUEDMDTXRCHM-YOEHRIQHSA-N 2 2 344.459 2.382 10 0 EEAELP O=C1O[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CC1 ZINC000844322868 789024373 /nfs/dbraw/zinc/02/43/73/789024373.db2.gz JXWUEDMDTXRCHM-YOEHRIQHSA-N 2 2 344.459 2.382 10 0 EEAELP FC(F)(F)c1ccccc1OCCCCN1CC[NH2+]CC[NH2+]CC1 ZINC000923460214 789593059 /nfs/dbraw/zinc/59/30/59/789593059.db2.gz DNVYXOXGCZWUPF-UHFFFAOYSA-N 2 2 345.409 2.359 10 0 EEAELP FC(F)(F)c1ccccc1OCCCC[N@@H+]1CCNCC[NH2+]CC1 ZINC000923460214 789593063 /nfs/dbraw/zinc/59/30/63/789593063.db2.gz DNVYXOXGCZWUPF-UHFFFAOYSA-N 2 2 345.409 2.359 10 0 EEAELP FC(F)(F)c1ccccc1OCCCC[N@H+]1CCNCC[NH2+]CC1 ZINC000923460214 789593072 /nfs/dbraw/zinc/59/30/72/789593072.db2.gz DNVYXOXGCZWUPF-UHFFFAOYSA-N 2 2 345.409 2.359 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C[C@H]1C[NH3+] ZINC000846226605 790094904 /nfs/dbraw/zinc/09/49/04/790094904.db2.gz QTOJPIHRKVCZLS-FGTMMUONSA-N 2 2 345.487 2.013 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C[C@H]1C[NH3+] ZINC000846226605 790094911 /nfs/dbraw/zinc/09/49/11/790094911.db2.gz QTOJPIHRKVCZLS-FGTMMUONSA-N 2 2 345.487 2.013 10 0 EEAELP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921861513 797696986 /nfs/dbraw/zinc/69/69/86/797696986.db2.gz XBQMBWDPDIWPDB-WOJBJXKFSA-N 2 2 329.488 2.428 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC=C(Cl)Cl)CC[N@@H+]1C ZINC001439330584 1092017675 /nfs/dbraw/zinc/01/76/75/1092017675.db2.gz ZWHZFWUFOKMPDP-FRRDWIJNSA-N 2 2 336.307 2.472 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CC=C(Cl)Cl)CC[N@H+]1C ZINC001439330584 1092017686 /nfs/dbraw/zinc/01/76/86/1092017686.db2.gz ZWHZFWUFOKMPDP-FRRDWIJNSA-N 2 2 336.307 2.472 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC=C(Cl)Cl)CC[NH+]1C ZINC001439330584 1092017698 /nfs/dbraw/zinc/01/76/98/1092017698.db2.gz ZWHZFWUFOKMPDP-FRRDWIJNSA-N 2 2 336.307 2.472 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[N@@H+](C)CC=C(Cl)Cl)CC[NH+]1C ZINC001439330584 1092017710 /nfs/dbraw/zinc/01/77/10/1092017710.db2.gz ZWHZFWUFOKMPDP-FRRDWIJNSA-N 2 2 336.307 2.472 10 0 EEAELP C[C@@H]1C[C@H](C[N@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001566465970 1125626391 /nfs/dbraw/zinc/62/63/91/1125626391.db2.gz KQVSXLCZIDDVOZ-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@@H]1C[C@H](C[N@@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001566465970 1125626394 /nfs/dbraw/zinc/62/63/94/1125626394.db2.gz KQVSXLCZIDDVOZ-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP C[NH+](C)Cc1cnc(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)s1 ZINC000865715362 1126115069 /nfs/dbraw/zinc/11/50/69/1126115069.db2.gz QFXIDMLXHALGOQ-QGZVFWFLSA-N 2 2 337.464 2.427 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001436431316 1087802452 /nfs/dbraw/zinc/80/24/52/1087802452.db2.gz FDXUVUHECIJXSZ-UONOGXRCSA-N 2 2 346.397 2.156 10 0 EEAELP Cc1ncc(C[NH+]2CCC(N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)CC2)o1 ZINC001436665119 1088098731 /nfs/dbraw/zinc/09/87/31/1088098731.db2.gz CYGGLVDELILBCK-CQSZACIVSA-N 2 2 345.447 2.254 10 0 EEAELP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001436832531 1088450015 /nfs/dbraw/zinc/45/00/15/1088450015.db2.gz KLPIAXWPVAHAEA-SFHVURJKSA-N 2 2 326.444 2.185 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001436833532 1088453666 /nfs/dbraw/zinc/45/36/66/1088453666.db2.gz NPJPIOVLSCIEAW-QGZVFWFLSA-N 2 2 330.407 2.015 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]Cc2cc(C3CC3)no2)c[nH+]1 ZINC001437164293 1089175241 /nfs/dbraw/zinc/17/52/41/1089175241.db2.gz DJENAXZMROUWDO-LBPRGKRZSA-N 2 2 345.447 2.087 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(CF)cc1 ZINC001437174416 1089202699 /nfs/dbraw/zinc/20/26/99/1089202699.db2.gz XHQHZERRCSIWTQ-PBHICJAKSA-N 2 2 344.434 2.210 10 0 EEAELP CCc1nc(C[NH2+][C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cs1 ZINC001437211828 1089290303 /nfs/dbraw/zinc/29/03/03/1089290303.db2.gz NNONXSDSSZVFTR-CHWSQXEVSA-N 2 2 335.477 2.148 10 0 EEAELP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001437316167 1089476157 /nfs/dbraw/zinc/47/61/57/1089476157.db2.gz WOZSZIAPMJVPNR-DLBZAZTESA-N 2 2 332.492 2.320 10 0 EEAELP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001437316174 1089476256 /nfs/dbraw/zinc/47/62/56/1089476256.db2.gz WOZSZIAPMJVPNR-IRXDYDNUSA-N 2 2 332.492 2.320 10 0 EEAELP C[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001437526894 1089955003 /nfs/dbraw/zinc/95/50/03/1089955003.db2.gz NNXNOGMPKRYTLX-RDJZCZTQSA-N 2 2 348.397 2.049 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001437526894 1089955012 /nfs/dbraw/zinc/95/50/12/1089955012.db2.gz NNXNOGMPKRYTLX-RDJZCZTQSA-N 2 2 348.397 2.049 10 0 EEAELP C[C@H](F)CC[N@H+](C)CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001438005313 1090603631 /nfs/dbraw/zinc/60/36/31/1090603631.db2.gz QAUKOHOSYSCKSD-HNNXBMFYSA-N 2 2 338.471 2.271 10 0 EEAELP C[C@H](F)CC[N@@H+](C)CC1CCN(C(=O)CCc2c[nH+]cn2C)CC1 ZINC001438005313 1090603634 /nfs/dbraw/zinc/60/36/34/1090603634.db2.gz QAUKOHOSYSCKSD-HNNXBMFYSA-N 2 2 338.471 2.271 10 0 EEAELP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnccc1C)[NH+](CC)CC ZINC001438172548 1090681708 /nfs/dbraw/zinc/68/17/08/1090681708.db2.gz ALQSCGWKMRCVRW-GBESFXJTSA-N 2 2 344.503 2.296 10 0 EEAELP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnccc1C)[NH+](CC)CC ZINC001438172548 1090681714 /nfs/dbraw/zinc/68/17/14/1090681714.db2.gz ALQSCGWKMRCVRW-GBESFXJTSA-N 2 2 344.503 2.296 10 0 EEAELP CC[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(C)nc1C ZINC001438357801 1090833467 /nfs/dbraw/zinc/83/34/67/1090833467.db2.gz KMKAQKRANLWYKH-KRWDZBQOSA-N 2 2 343.475 2.049 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CC=C(Cl)Cl)CCCC1 ZINC001438613440 1091103084 /nfs/dbraw/zinc/10/30/84/1091103084.db2.gz UAZDLXYCHHVQRR-UHFFFAOYSA-N 2 2 331.247 2.221 10 0 EEAELP Cc1cncc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001438699329 1091206465 /nfs/dbraw/zinc/20/64/65/1091206465.db2.gz YUMIKMZQDISGMH-CVEARBPZSA-N 2 2 329.448 2.174 10 0 EEAELP C[C@H](C[N@H+](C)CCC1CCCC1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445773095 1091636441 /nfs/dbraw/zinc/63/64/41/1091636441.db2.gz YKRUTLNTPHUDNI-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](C[N@@H+](C)CCC1CCCC1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445773095 1091636444 /nfs/dbraw/zinc/63/64/44/1091636444.db2.gz YKRUTLNTPHUDNI-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)CCn1cc[nH+]c1 ZINC001439137022 1091780253 /nfs/dbraw/zinc/78/02/53/1091780253.db2.gz FLTUAJUVISQYBN-GFCCVEGCSA-N 2 2 338.814 2.360 10 0 EEAELP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001446025238 1092016682 /nfs/dbraw/zinc/01/66/82/1092016682.db2.gz ZMSNCMKZOGVRKE-MAUKXSAKSA-N 2 2 326.444 2.437 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cs1 ZINC001439338287 1092036716 /nfs/dbraw/zinc/03/67/16/1092036716.db2.gz JPZMFADJMYAWDT-XJKSGUPXSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cs1 ZINC001439338287 1092036723 /nfs/dbraw/zinc/03/67/23/1092036723.db2.gz JPZMFADJMYAWDT-XJKSGUPXSA-N 2 2 346.500 2.452 10 0 EEAELP O=C(NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001446194802 1092270778 /nfs/dbraw/zinc/27/07/78/1092270778.db2.gz GQBPKOPJTKIGAP-YNEHKIRRSA-N 2 2 338.402 2.187 10 0 EEAELP O=C(NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001446194802 1092270790 /nfs/dbraw/zinc/27/07/90/1092270790.db2.gz GQBPKOPJTKIGAP-YNEHKIRRSA-N 2 2 338.402 2.187 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C[NH2+]Cc1ccc(F)cn1)C1CC1)n1cc[nH+]c1 ZINC001439484793 1092291522 /nfs/dbraw/zinc/29/15/22/1092291522.db2.gz RCAWKMZRXCASSL-DYVFJYSZSA-N 2 2 345.422 2.053 10 0 EEAELP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@H]3CCc4[nH+]ccn4C3)CC2)C1 ZINC001446220621 1092319217 /nfs/dbraw/zinc/31/92/17/1092319217.db2.gz WEBKLCARDMRSDE-HNNXBMFYSA-N 2 2 330.476 2.120 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)c1ccccc1F ZINC001446266699 1092411515 /nfs/dbraw/zinc/41/15/15/1092411515.db2.gz LXHHHAZWHYQEJQ-ZDUSSCGKSA-N 2 2 330.407 2.101 10 0 EEAELP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2Cl)C1 ZINC001439574956 1092466423 /nfs/dbraw/zinc/46/64/23/1092466423.db2.gz QBZOOGUFQYSEOT-GOEBONIOSA-N 2 2 335.879 2.372 10 0 EEAELP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2Cl)C1 ZINC001439574956 1092466426 /nfs/dbraw/zinc/46/64/26/1092466426.db2.gz QBZOOGUFQYSEOT-GOEBONIOSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2Cl)C1 ZINC001439574956 1092466433 /nfs/dbraw/zinc/46/64/33/1092466433.db2.gz QBZOOGUFQYSEOT-GOEBONIOSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CC[C@@H](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2Cl)C1 ZINC001439574956 1092466437 /nfs/dbraw/zinc/46/64/37/1092466437.db2.gz QBZOOGUFQYSEOT-GOEBONIOSA-N 2 2 335.879 2.372 10 0 EEAELP CC[C@H](F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001439687964 1092632953 /nfs/dbraw/zinc/63/29/53/1092632953.db2.gz RGOMZNJXHIHDSH-BBWFWOEESA-N 2 2 336.455 2.477 10 0 EEAELP CC[C@H](F)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001439687964 1092632954 /nfs/dbraw/zinc/63/29/54/1092632954.db2.gz RGOMZNJXHIHDSH-BBWFWOEESA-N 2 2 336.455 2.477 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)C1C[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC001439749916 1092706450 /nfs/dbraw/zinc/70/64/50/1092706450.db2.gz SPDPXAKKLIHTPV-UHFFFAOYSA-N 2 2 347.503 2.458 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)C1C[NH+](Cc2cccc(OC(C)C)c2)C1 ZINC001439749916 1092706455 /nfs/dbraw/zinc/70/64/55/1092706455.db2.gz SPDPXAKKLIHTPV-UHFFFAOYSA-N 2 2 347.503 2.458 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]Cc2cncs2)CC1 ZINC001440221805 1093300596 /nfs/dbraw/zinc/30/05/96/1093300596.db2.gz SSLNZCAUNWRSCB-HDJSIYSDSA-N 2 2 347.488 2.264 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](C[NH2+]Cc2cncs2)CC1 ZINC001440221805 1093300600 /nfs/dbraw/zinc/30/06/00/1093300600.db2.gz SSLNZCAUNWRSCB-HDJSIYSDSA-N 2 2 347.488 2.264 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001448451268 1093461780 /nfs/dbraw/zinc/46/17/80/1093461780.db2.gz NNEYWONIIVOXLG-AXUOBQJMSA-N 2 2 344.503 2.463 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001448451268 1093461782 /nfs/dbraw/zinc/46/17/82/1093461782.db2.gz NNEYWONIIVOXLG-AXUOBQJMSA-N 2 2 344.503 2.463 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001448451268 1093461786 /nfs/dbraw/zinc/46/17/86/1093461786.db2.gz NNEYWONIIVOXLG-AXUOBQJMSA-N 2 2 344.503 2.463 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001448451268 1093461792 /nfs/dbraw/zinc/46/17/92/1093461792.db2.gz NNEYWONIIVOXLG-AXUOBQJMSA-N 2 2 344.503 2.463 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001440371861 1093538998 /nfs/dbraw/zinc/53/89/98/1093538998.db2.gz RVHHXPZBSXCDNP-KOMQPUFPSA-N 2 2 344.434 2.095 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001448525121 1093555980 /nfs/dbraw/zinc/55/59/80/1093555980.db2.gz JPZAUKXCDIDINR-SLBVQIDZSA-N 2 2 345.447 2.376 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001440388193 1093561750 /nfs/dbraw/zinc/56/17/50/1093561750.db2.gz ANXIFAJUCPZJMM-OWCLPIDISA-N 2 2 345.447 2.124 10 0 EEAELP CC[NH+](CC)CCCNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001440424443 1093621843 /nfs/dbraw/zinc/62/18/43/1093621843.db2.gz ZLBJZSGSZNGPEG-UHFFFAOYSA-N 2 2 328.460 2.322 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC(C)(C)C1 ZINC001448687692 1093751285 /nfs/dbraw/zinc/75/12/85/1093751285.db2.gz WEOPVWRFYROIHA-HOCLYGCPSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@H](C)F)[nH+]c12 ZINC001448756937 1093827821 /nfs/dbraw/zinc/82/78/21/1093827821.db2.gz MQCQJEPYZYZJAG-LSDHHAIUSA-N 2 2 334.439 2.370 10 0 EEAELP CCc1ccc(CC[NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001448802068 1093878656 /nfs/dbraw/zinc/87/86/56/1093878656.db2.gz ZLXMHJAQEBUOBW-MRXNPFEDSA-N 2 2 328.460 2.125 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001440661129 1093930732 /nfs/dbraw/zinc/93/07/32/1093930732.db2.gz DVQOZVXIXOYARE-LBPRGKRZSA-N 2 2 342.434 2.456 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001440839855 1094094247 /nfs/dbraw/zinc/09/42/47/1094094247.db2.gz YEDYLABNJVQHQA-LSDHHAIUSA-N 2 2 332.423 2.404 10 0 EEAELP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001440935601 1094187396 /nfs/dbraw/zinc/18/73/96/1094187396.db2.gz AFWXKOXDPRNYNJ-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001440935601 1094187399 /nfs/dbraw/zinc/18/73/99/1094187399.db2.gz AFWXKOXDPRNYNJ-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1oc(-c2ccco2)nc1C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001440962930 1094220033 /nfs/dbraw/zinc/22/00/33/1094220033.db2.gz OCJPPAMBNJXVJN-CYBMUJFWSA-N 2 2 348.447 2.131 10 0 EEAELP Cc1oc(-c2ccco2)nc1C[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001440962930 1094220038 /nfs/dbraw/zinc/22/00/38/1094220038.db2.gz OCJPPAMBNJXVJN-CYBMUJFWSA-N 2 2 348.447 2.131 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC001449364269 1094329117 /nfs/dbraw/zinc/32/91/17/1094329117.db2.gz GYRHTYQYBUJGST-LBPRGKRZSA-N 2 2 346.397 2.132 10 0 EEAELP Cc1ncoc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001441040409 1094335065 /nfs/dbraw/zinc/33/50/65/1094335065.db2.gz VLSQKMJEEWAYMC-YOEHRIQHSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1ncoc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001441040409 1094335080 /nfs/dbraw/zinc/33/50/80/1094335080.db2.gz VLSQKMJEEWAYMC-YOEHRIQHSA-N 2 2 336.480 2.040 10 0 EEAELP C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CC[NH+](C/C=C\Cl)CC1 ZINC001449377123 1094347642 /nfs/dbraw/zinc/34/76/42/1094347642.db2.gz ZWJZASFAJZDRAD-FCIQKIPGSA-N 2 2 338.883 2.322 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc2cccc(F)c2)c[nH+]1 ZINC001441849538 1095934700 /nfs/dbraw/zinc/93/47/00/1095934700.db2.gz AZEGRYWAHHSROR-CYBMUJFWSA-N 2 2 332.423 2.360 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1C ZINC001441882810 1096011414 /nfs/dbraw/zinc/01/14/14/1096011414.db2.gz VXEPJOVMKWWJLI-AEFFLSMTSA-N 2 2 340.471 2.357 10 0 EEAELP Cc1oncc1C[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001442167645 1096429630 /nfs/dbraw/zinc/42/96/30/1096429630.db2.gz WJQRWPYCWFIBKL-CZUORRHYSA-N 2 2 347.463 2.451 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001442206560 1096492054 /nfs/dbraw/zinc/49/20/54/1096492054.db2.gz ZYOMCXFINFIQNW-MRXNPFEDSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)C[C@@H]3CC(C)(C)CO3)ccn12 ZINC001442402575 1096724594 /nfs/dbraw/zinc/72/45/94/1096724594.db2.gz BIPBIGKBFWHAKG-INIZCTEOSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)C[C@@H]3CC(C)(C)CO3)ccn12 ZINC001442402575 1096724596 /nfs/dbraw/zinc/72/45/96/1096724596.db2.gz BIPBIGKBFWHAKG-INIZCTEOSA-N 2 2 344.459 2.119 10 0 EEAELP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1ncc(C)s1 ZINC001442673009 1097037487 /nfs/dbraw/zinc/03/74/87/1097037487.db2.gz IWBLOUOGHSUUCH-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP CC[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1ncc(C)s1 ZINC001442673009 1097037494 /nfs/dbraw/zinc/03/74/94/1097037494.db2.gz IWBLOUOGHSUUCH-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)Cc1ncc(C)s1 ZINC001442673009 1097037500 /nfs/dbraw/zinc/03/75/00/1097037500.db2.gz IWBLOUOGHSUUCH-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@H]1CCC[N@H+]1C)Cc1ncc(C)s1 ZINC001442673009 1097037507 /nfs/dbraw/zinc/03/75/07/1097037507.db2.gz IWBLOUOGHSUUCH-OAHLLOKOSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+](Cc2cc(C)ccc2F)C1 ZINC001442898965 1097299546 /nfs/dbraw/zinc/29/95/46/1097299546.db2.gz BUZPREGETBQNCS-OAHLLOKOSA-N 2 2 344.434 2.346 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001442898578 1097300190 /nfs/dbraw/zinc/30/01/90/1097300190.db2.gz RPSBMVYRYYRJIZ-GJZGRUSLSA-N 2 2 345.422 2.007 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001442898578 1097300196 /nfs/dbraw/zinc/30/01/96/1097300196.db2.gz RPSBMVYRYYRJIZ-GJZGRUSLSA-N 2 2 345.422 2.007 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001442922503 1097333610 /nfs/dbraw/zinc/33/36/10/1097333610.db2.gz ZKKOASDHFUXFDY-KGLIPLIRSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CC[N@H+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001442922503 1097333612 /nfs/dbraw/zinc/33/36/12/1097333612.db2.gz ZKKOASDHFUXFDY-KGLIPLIRSA-N 2 2 340.418 2.216 10 0 EEAELP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001443190185 1097635019 /nfs/dbraw/zinc/63/50/19/1097635019.db2.gz RJHBFCKCHQPGHQ-DOTOQJQBSA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001443190185 1097635020 /nfs/dbraw/zinc/63/50/20/1097635020.db2.gz RJHBFCKCHQPGHQ-DOTOQJQBSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CC[N@H+](C/C(Cl)=C/Cl)C1 ZINC001443251733 1097726361 /nfs/dbraw/zinc/72/63/61/1097726361.db2.gz XJXHPIJHDQIMIB-KKMLBMJLSA-N 2 2 345.274 2.339 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC[C@@H]1CC[N@@H+](C/C(Cl)=C/Cl)C1 ZINC001443251733 1097726367 /nfs/dbraw/zinc/72/63/67/1097726367.db2.gz XJXHPIJHDQIMIB-KKMLBMJLSA-N 2 2 345.274 2.339 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@H]3CC[C@@H]([NH2+]CCF)C3)[nH+]c12 ZINC001479483071 1098560087 /nfs/dbraw/zinc/56/00/87/1098560087.db2.gz SMDVMUPGEYIGCX-LSDHHAIUSA-N 2 2 332.423 2.029 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@@H]1CCc2ccccc21 ZINC001444359495 1098923452 /nfs/dbraw/zinc/92/34/52/1098923452.db2.gz UGXIQDGMAGQBJA-MAUKXSAKSA-N 2 2 326.444 2.303 10 0 EEAELP Cc1conc1C[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CCCC1 ZINC001444522429 1099276448 /nfs/dbraw/zinc/27/64/48/1099276448.db2.gz HTDQCCMSMLKRTJ-OAHLLOKOSA-N 2 2 345.447 2.349 10 0 EEAELP CCc1noc(C)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001480102877 1099669878 /nfs/dbraw/zinc/66/98/78/1099669878.db2.gz AQMULSBNPVLSSV-IYBDPMFKSA-N 2 2 348.491 2.061 10 0 EEAELP CCc1noc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001480102877 1099669883 /nfs/dbraw/zinc/66/98/83/1099669883.db2.gz AQMULSBNPVLSSV-IYBDPMFKSA-N 2 2 348.491 2.061 10 0 EEAELP CCc1noc(C)c1C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001480102877 1099669888 /nfs/dbraw/zinc/66/98/88/1099669888.db2.gz AQMULSBNPVLSSV-IYBDPMFKSA-N 2 2 348.491 2.061 10 0 EEAELP CCc1noc(C)c1C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001480102877 1099669893 /nfs/dbraw/zinc/66/98/93/1099669893.db2.gz AQMULSBNPVLSSV-IYBDPMFKSA-N 2 2 348.491 2.061 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001480155009 1099726350 /nfs/dbraw/zinc/72/63/50/1099726350.db2.gz GACKDVXQGXKGSE-BQFCYCMXSA-N 2 2 337.508 2.057 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001480155009 1099726361 /nfs/dbraw/zinc/72/63/61/1099726361.db2.gz GACKDVXQGXKGSE-BQFCYCMXSA-N 2 2 337.508 2.057 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001480552694 1100390551 /nfs/dbraw/zinc/39/05/51/1100390551.db2.gz LOGKOQDWGWNESU-NEPJUHHUSA-N 2 2 336.386 2.161 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1 ZINC001480552694 1100390557 /nfs/dbraw/zinc/39/05/57/1100390557.db2.gz LOGKOQDWGWNESU-NEPJUHHUSA-N 2 2 336.386 2.161 10 0 EEAELP CCC[NH2+]CCC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001495414621 1101134522 /nfs/dbraw/zinc/13/45/22/1101134522.db2.gz CZWFQZNREYGHPX-UHFFFAOYSA-N 2 2 332.492 2.390 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CCC[C@@H](C)O)C(C)C)ccn12 ZINC001496561722 1101163420 /nfs/dbraw/zinc/16/34/20/1101163420.db2.gz MNXCPJYMQVPEQZ-WBVHZDCISA-N 2 2 346.475 2.148 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001446690097 1101250797 /nfs/dbraw/zinc/25/07/97/1101250797.db2.gz YJAAFIHIYWYCIM-MJGOQNOKSA-N 2 2 348.491 2.267 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001446690097 1101250799 /nfs/dbraw/zinc/25/07/99/1101250799.db2.gz YJAAFIHIYWYCIM-MJGOQNOKSA-N 2 2 348.491 2.267 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccon2)C1 ZINC001446690097 1101250807 /nfs/dbraw/zinc/25/08/07/1101250807.db2.gz YJAAFIHIYWYCIM-MJGOQNOKSA-N 2 2 348.491 2.267 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[N@@H+](Cc2ccon2)C1 ZINC001446690097 1101250815 /nfs/dbraw/zinc/25/08/15/1101250815.db2.gz YJAAFIHIYWYCIM-MJGOQNOKSA-N 2 2 348.491 2.267 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1C ZINC001495691844 1101444848 /nfs/dbraw/zinc/44/48/48/1101444848.db2.gz PYTXSTACNLQRAW-OAHLLOKOSA-N 2 2 341.455 2.483 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@H](C)CNC(=O)CCc2[nH+]ccn2C)c1 ZINC001495707256 1101465330 /nfs/dbraw/zinc/46/53/30/1101465330.db2.gz MWMWXNTZVJUBAX-HNNXBMFYSA-N 2 2 346.450 2.342 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCn3c[nH+]cc3C2)CCCC1 ZINC001495923854 1101768012 /nfs/dbraw/zinc/76/80/12/1101768012.db2.gz LNIJTSQKBAVGMK-INIZCTEOSA-N 2 2 330.476 2.430 10 0 EEAELP C[C@H](C[NH2+]C[C@@H]1CC(C)(C)CO1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001496109407 1102078303 /nfs/dbraw/zinc/07/83/03/1102078303.db2.gz XACDIBRMRRQIIG-CABCVRRESA-N 2 2 344.459 2.200 10 0 EEAELP CN(CCC[N@H+](C)Cc1csc(Cl)n1)C(=O)CC[NH+](C)C ZINC001447359711 1102525849 /nfs/dbraw/zinc/52/58/49/1102525849.db2.gz ODAKGYBRISHRHL-UHFFFAOYSA-N 2 2 332.901 2.029 10 0 EEAELP CN(CCC[N@@H+](C)Cc1csc(Cl)n1)C(=O)CC[NH+](C)C ZINC001447359711 1102525854 /nfs/dbraw/zinc/52/58/54/1102525854.db2.gz ODAKGYBRISHRHL-UHFFFAOYSA-N 2 2 332.901 2.029 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)oc1C ZINC001497620841 1102762873 /nfs/dbraw/zinc/76/28/73/1102762873.db2.gz MCHSGMARFUFUMF-RTRPANQVSA-N 2 2 348.491 2.174 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)oc1C ZINC001497620841 1102762888 /nfs/dbraw/zinc/76/28/88/1102762888.db2.gz MCHSGMARFUFUMF-RTRPANQVSA-N 2 2 348.491 2.174 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)n1 ZINC001447860496 1103464374 /nfs/dbraw/zinc/46/43/74/1103464374.db2.gz SKADXRZDMAZVSW-ZIAGYGMSSA-N 2 2 329.448 2.037 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)n1 ZINC001447860496 1103464383 /nfs/dbraw/zinc/46/43/83/1103464383.db2.gz SKADXRZDMAZVSW-ZIAGYGMSSA-N 2 2 329.448 2.037 10 0 EEAELP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140143 1103589411 /nfs/dbraw/zinc/58/94/11/1103589411.db2.gz GSMCDSACAZLOME-DLBZAZTESA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001494140143 1103589413 /nfs/dbraw/zinc/58/94/13/1103589413.db2.gz GSMCDSACAZLOME-DLBZAZTESA-N 2 2 332.492 2.416 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)oc1C ZINC001494793748 1104378880 /nfs/dbraw/zinc/37/88/80/1104378880.db2.gz LMPZXFVLAAAOPO-QGZVFWFLSA-N 2 2 348.491 2.248 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)oc1C ZINC001494793748 1104378890 /nfs/dbraw/zinc/37/88/90/1104378890.db2.gz LMPZXFVLAAAOPO-QGZVFWFLSA-N 2 2 348.491 2.248 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001498621923 1107829032 /nfs/dbraw/zinc/82/90/32/1107829032.db2.gz ZPEXEHNUMKKSLW-MRXNPFEDSA-N 2 2 343.475 2.484 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)noc1C)[NH+](CC)CC ZINC001499059170 1108520038 /nfs/dbraw/zinc/52/00/38/1108520038.db2.gz XYCSRLSGGVVVMH-WBVHZDCISA-N 2 2 336.480 2.102 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)noc1C)[NH+](CC)CC ZINC001499059170 1108520047 /nfs/dbraw/zinc/52/00/47/1108520047.db2.gz XYCSRLSGGVVVMH-WBVHZDCISA-N 2 2 336.480 2.102 10 0 EEAELP Cc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001493700111 1108528272 /nfs/dbraw/zinc/52/82/72/1108528272.db2.gz PUHLQBFFXNSSDL-IAGOWNOFSA-N 2 2 326.444 2.080 10 0 EEAELP CCN1C[C@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)OC1=O ZINC001460751119 1110323039 /nfs/dbraw/zinc/32/30/39/1110323039.db2.gz YOXZOSHMTUGKSX-HBFSDRIKSA-N 2 2 343.471 2.281 10 0 EEAELP CCN1C[C@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)OC1=O ZINC001460751119 1110323040 /nfs/dbraw/zinc/32/30/40/1110323040.db2.gz YOXZOSHMTUGKSX-HBFSDRIKSA-N 2 2 343.471 2.281 10 0 EEAELP CCN1C[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)OC1=O ZINC001460751119 1110323044 /nfs/dbraw/zinc/32/30/44/1110323044.db2.gz YOXZOSHMTUGKSX-HBFSDRIKSA-N 2 2 343.471 2.281 10 0 EEAELP CCN1C[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)OC1=O ZINC001460751119 1110323046 /nfs/dbraw/zinc/32/30/46/1110323046.db2.gz YOXZOSHMTUGKSX-HBFSDRIKSA-N 2 2 343.471 2.281 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001460846388 1110326446 /nfs/dbraw/zinc/32/64/46/1110326446.db2.gz DUMNDTHSTAKQKK-ZDUSSCGKSA-N 2 2 348.413 2.309 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC001460846388 1110326448 /nfs/dbraw/zinc/32/64/48/1110326448.db2.gz DUMNDTHSTAKQKK-ZDUSSCGKSA-N 2 2 348.413 2.309 10 0 EEAELP CN(C(=O)C1([NH+](C)C)CCC1)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001499686893 1112443676 /nfs/dbraw/zinc/44/36/76/1112443676.db2.gz QWZCHENVHCUWSX-GFCCVEGCSA-N 2 2 348.318 2.197 10 0 EEAELP CC1CC(C[N@@H+]2CCC(F)(F)[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001500616941 1112979950 /nfs/dbraw/zinc/97/99/50/1112979950.db2.gz MQBMHTRSKJMDGS-JXQTWKCFSA-N 2 2 340.418 2.072 10 0 EEAELP CC1CC(C[N@H+]2CCC(F)(F)[C@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)C1 ZINC001500616941 1112979952 /nfs/dbraw/zinc/97/99/52/1112979952.db2.gz MQBMHTRSKJMDGS-JXQTWKCFSA-N 2 2 340.418 2.072 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccsc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001502348630 1113638855 /nfs/dbraw/zinc/63/88/55/1113638855.db2.gz YHIOBLWOVPXTRR-INIZCTEOSA-N 2 2 346.500 2.488 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccsc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001502348630 1113638856 /nfs/dbraw/zinc/63/88/56/1113638856.db2.gz YHIOBLWOVPXTRR-INIZCTEOSA-N 2 2 346.500 2.488 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001502838506 1113829688 /nfs/dbraw/zinc/82/96/88/1113829688.db2.gz HSYSBODTWVJYDD-JKSUJKDBSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001502838506 1113829692 /nfs/dbraw/zinc/82/96/92/1113829692.db2.gz HSYSBODTWVJYDD-JKSUJKDBSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001502838506 1113829697 /nfs/dbraw/zinc/82/96/97/1113829697.db2.gz HSYSBODTWVJYDD-JKSUJKDBSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ncccn2)CC1(C)C ZINC001502838506 1113829700 /nfs/dbraw/zinc/82/97/00/1113829700.db2.gz HSYSBODTWVJYDD-JKSUJKDBSA-N 2 2 347.507 2.095 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC3CCOCC3)ccn12 ZINC001505605795 1114080883 /nfs/dbraw/zinc/08/08/83/1114080883.db2.gz JKMRGXIHEXLCEC-GJZGRUSLSA-N 2 2 344.459 2.166 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001505733463 1114157918 /nfs/dbraw/zinc/15/79/18/1114157918.db2.gz TYYDYMAXPBSVTO-IRXDYDNUSA-N 2 2 342.487 2.387 10 0 EEAELP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001507014359 1115054699 /nfs/dbraw/zinc/05/46/99/1115054699.db2.gz CVWBIDIZBYDTHP-FUHWJXTLSA-N 2 2 330.476 2.072 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001507166620 1115143724 /nfs/dbraw/zinc/14/37/24/1115143724.db2.gz ZSMIVFGPXPNWDI-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP COCC[NH2+]C[C@@H](NC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)(C)C ZINC001507940585 1115377884 /nfs/dbraw/zinc/37/78/84/1115377884.db2.gz XQAJESHQQMJJNA-OAHLLOKOSA-N 2 2 332.448 2.023 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@H+](Cc2cccc(F)c2)CC1 ZINC001508231270 1115455821 /nfs/dbraw/zinc/45/58/21/1115455821.db2.gz XLPIDNAMYYTIJS-UHFFFAOYSA-N 2 2 342.418 2.279 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC1=CC[N@@H+](Cc2cccc(F)c2)CC1 ZINC001508231270 1115455823 /nfs/dbraw/zinc/45/58/23/1115455823.db2.gz XLPIDNAMYYTIJS-UHFFFAOYSA-N 2 2 342.418 2.279 10 0 EEAELP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2nc(C)cs2)CC1 ZINC001508231407 1115456208 /nfs/dbraw/zinc/45/62/08/1115456208.db2.gz ZNIJQAGJTSINBC-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+](Cc2nc(C)cs2)CC1 ZINC001508231407 1115456210 /nfs/dbraw/zinc/45/62/10/1115456210.db2.gz ZNIJQAGJTSINBC-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@H+](Cc2nc(C)cs2)CC1 ZINC001508231407 1115456212 /nfs/dbraw/zinc/45/62/12/1115456212.db2.gz ZNIJQAGJTSINBC-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@@H+](Cc2nc(C)cs2)CC1 ZINC001508231407 1115456213 /nfs/dbraw/zinc/45/62/13/1115456213.db2.gz ZNIJQAGJTSINBC-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CC(C)OCC[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568140809 1124323601 /nfs/dbraw/zinc/32/36/01/1124323601.db2.gz HRXFLCRQYRRWJX-OAHLLOKOSA-N 2 2 330.432 2.182 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001568649950 1124661441 /nfs/dbraw/zinc/66/14/41/1124661441.db2.gz RGZRZTOXHVNZGR-LMEWBDQLSA-N 2 2 345.274 2.249 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1ccc(CF)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001568865790 1124891161 /nfs/dbraw/zinc/89/11/61/1124891161.db2.gz LCIZTYSKLBMIMK-KBXQFXQKSA-N 2 2 342.418 2.445 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1ccc(CF)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001568865790 1124891166 /nfs/dbraw/zinc/89/11/66/1124891166.db2.gz LCIZTYSKLBMIMK-KBXQFXQKSA-N 2 2 342.418 2.445 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1cccc(F)c1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001568875190 1124900616 /nfs/dbraw/zinc/90/06/16/1124900616.db2.gz IBOOOMVJGZISQO-XGBNDESESA-N 2 2 342.418 2.047 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001568925864 1124954606 /nfs/dbraw/zinc/95/46/06/1124954606.db2.gz XRSSSTSZKBBSLN-LPQSXRFUSA-N 2 2 342.418 2.431 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)sc1C ZINC001569247344 1125192534 /nfs/dbraw/zinc/19/25/34/1125192534.db2.gz MHZHTWRRANOAJD-LBPRGKRZSA-N 2 2 349.504 2.300 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)F)C1 ZINC001565919357 1125456579 /nfs/dbraw/zinc/45/65/79/1125456579.db2.gz FDHSPQWDFYMRCJ-NWDGAFQWSA-N 2 2 341.393 2.102 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)F)C1 ZINC001565919357 1125456584 /nfs/dbraw/zinc/45/65/84/1125456584.db2.gz FDHSPQWDFYMRCJ-NWDGAFQWSA-N 2 2 341.393 2.102 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000183491341 529800099 /nfs/dbraw/zinc/80/00/99/529800099.db2.gz IJPANKVQLPCJTJ-UHFFFAOYSA-N 2 2 325.416 2.073 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)CCO1 ZINC000079489565 201206005 /nfs/dbraw/zinc/20/60/05/201206005.db2.gz IZEYONCFPIDGBS-HNNXBMFYSA-N 2 2 349.450 2.339 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)CCO1 ZINC000079489565 201206008 /nfs/dbraw/zinc/20/60/08/201206008.db2.gz IZEYONCFPIDGBS-HNNXBMFYSA-N 2 2 349.450 2.339 10 0 EEAELP Fc1ccc(CN2CCC([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422720846 240191076 /nfs/dbraw/zinc/19/10/76/240191076.db2.gz MXQKUVZDXPMLRO-WOJBJXKFSA-N 2 2 347.478 2.147 10 0 EEAELP FC(F)(F)COc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422812348 240241185 /nfs/dbraw/zinc/24/11/85/240241185.db2.gz XNHTWCDZWJTGBX-HOTGVXAUSA-N 2 2 344.377 2.484 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCc2nc(C)no2)[C@H]2CCC[NH2+]2)cc1 ZINC000422938652 240298915 /nfs/dbraw/zinc/29/89/15/240298915.db2.gz DTPYERBMMJQCBE-SJLPKXTDSA-N 2 2 330.432 2.402 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000422951308 240305839 /nfs/dbraw/zinc/30/58/39/240305839.db2.gz XYFFTCBGVRCDKW-CXAGYDPISA-N 2 2 333.407 2.380 10 0 EEAELP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000422928795 240292486 /nfs/dbraw/zinc/29/24/86/240292486.db2.gz MQZNXMOKZCYMBH-VHSXEESVSA-N 2 2 338.253 2.450 10 0 EEAELP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000422928795 240292492 /nfs/dbraw/zinc/29/24/92/240292492.db2.gz MQZNXMOKZCYMBH-VHSXEESVSA-N 2 2 338.253 2.450 10 0 EEAELP C[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101649630 204016526 /nfs/dbraw/zinc/01/65/26/204016526.db2.gz SDQJALUYKYHRAX-ZNMIVQPWSA-N 2 2 327.432 2.145 10 0 EEAELP C[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101649630 204016528 /nfs/dbraw/zinc/01/65/28/204016528.db2.gz SDQJALUYKYHRAX-ZNMIVQPWSA-N 2 2 327.432 2.145 10 0 EEAELP Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000111212869 204341961 /nfs/dbraw/zinc/34/19/61/204341961.db2.gz PFJHZLUYTDGYNF-GOSISDBHSA-N 2 2 338.455 2.440 10 0 EEAELP Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000111212869 204341963 /nfs/dbraw/zinc/34/19/63/204341963.db2.gz PFJHZLUYTDGYNF-GOSISDBHSA-N 2 2 338.455 2.440 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(C)C)[C@@H](C)C1 ZINC000246539198 205209347 /nfs/dbraw/zinc/20/93/47/205209347.db2.gz WGQFUIJJBRSKAH-JKSUJKDBSA-N 2 2 335.496 2.411 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(C)C)[C@@H](C)C1 ZINC000246539198 205209350 /nfs/dbraw/zinc/20/93/50/205209350.db2.gz WGQFUIJJBRSKAH-JKSUJKDBSA-N 2 2 335.496 2.411 10 0 EEAELP CN(c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000133323496 205362881 /nfs/dbraw/zinc/36/28/81/205362881.db2.gz MRUXOZYUYWBHEP-IBGZPJMESA-N 3 2 330.520 2.401 10 0 EEAELP CN(c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000133323496 205362885 /nfs/dbraw/zinc/36/28/85/205362885.db2.gz MRUXOZYUYWBHEP-IBGZPJMESA-N 3 2 330.520 2.401 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000175721286 207153521 /nfs/dbraw/zinc/15/35/21/207153521.db2.gz HLTGTNOCTIEVFG-ZBFHGGJFSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000175721286 207153526 /nfs/dbraw/zinc/15/35/26/207153526.db2.gz HLTGTNOCTIEVFG-ZBFHGGJFSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000175721286 207153531 /nfs/dbraw/zinc/15/35/31/207153531.db2.gz HLTGTNOCTIEVFG-ZBFHGGJFSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000175721286 207153535 /nfs/dbraw/zinc/15/35/35/207153535.db2.gz HLTGTNOCTIEVFG-ZBFHGGJFSA-N 2 2 349.475 2.304 10 0 EEAELP CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177098455 207293302 /nfs/dbraw/zinc/29/33/02/207293302.db2.gz LWZVMRCYDQBGOH-INIZCTEOSA-N 2 2 327.432 2.148 10 0 EEAELP CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177098455 207293306 /nfs/dbraw/zinc/29/33/06/207293306.db2.gz LWZVMRCYDQBGOH-INIZCTEOSA-N 2 2 327.432 2.148 10 0 EEAELP COCC[N@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268829467 252278107 /nfs/dbraw/zinc/27/81/07/252278107.db2.gz QIXOVZWRJSQUHU-QUCCMNQESA-N 3 2 333.520 2.455 10 0 EEAELP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268829467 252278112 /nfs/dbraw/zinc/27/81/12/252278112.db2.gz QIXOVZWRJSQUHU-QUCCMNQESA-N 3 2 333.520 2.455 10 0 EEAELP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268829467 252278115 /nfs/dbraw/zinc/27/81/15/252278115.db2.gz QIXOVZWRJSQUHU-QUCCMNQESA-N 3 2 333.520 2.455 10 0 EEAELP COCC[NH+](C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268829467 252278116 /nfs/dbraw/zinc/27/81/16/252278116.db2.gz QIXOVZWRJSQUHU-QUCCMNQESA-N 3 2 333.520 2.455 10 0 EEAELP CCNC(=O)C(C)(C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422964593 285483668 /nfs/dbraw/zinc/48/36/68/285483668.db2.gz IXQOEHHHGWPEEZ-SJORKVTESA-N 2 2 333.476 2.240 10 0 EEAELP CC[NH+]1CCN(CC(=O)Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC1 ZINC000089989063 292215594 /nfs/dbraw/zinc/21/55/94/292215594.db2.gz UCNWRATXGJKISI-UHFFFAOYSA-N 2 2 341.459 2.027 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262507711 152287052 /nfs/dbraw/zinc/28/70/52/152287052.db2.gz APEQPJVBNDTSIW-JKSUJKDBSA-N 2 2 339.842 2.340 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262507711 152287058 /nfs/dbraw/zinc/28/70/58/152287058.db2.gz APEQPJVBNDTSIW-JKSUJKDBSA-N 2 2 339.842 2.340 10 0 EEAELP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263031759 152360566 /nfs/dbraw/zinc/36/05/66/152360566.db2.gz SAINRPQQBJGASW-CQSZACIVSA-N 2 2 343.443 2.074 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122871653 292276640 /nfs/dbraw/zinc/27/66/40/292276640.db2.gz IGVKUYSEGRSGIR-HOCLYGCPSA-N 2 2 328.416 2.413 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000122871653 292276642 /nfs/dbraw/zinc/27/66/42/292276642.db2.gz IGVKUYSEGRSGIR-HOCLYGCPSA-N 2 2 328.416 2.413 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(-n4cc[nH+]c4)cs3)[C@H]2C1 ZINC000354141886 153132334 /nfs/dbraw/zinc/13/23/34/153132334.db2.gz NNAINIGQJPXISZ-DLBZAZTESA-N 2 2 332.473 2.229 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193656935 160185432 /nfs/dbraw/zinc/18/54/32/160185432.db2.gz ZAJJITOZEHZTOZ-DARAHFNDSA-N 2 2 335.879 2.399 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193656935 160185434 /nfs/dbraw/zinc/18/54/34/160185434.db2.gz ZAJJITOZEHZTOZ-DARAHFNDSA-N 2 2 335.879 2.399 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193656935 160185436 /nfs/dbraw/zinc/18/54/36/160185436.db2.gz ZAJJITOZEHZTOZ-DARAHFNDSA-N 2 2 335.879 2.399 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000193656935 160185438 /nfs/dbraw/zinc/18/54/38/160185438.db2.gz ZAJJITOZEHZTOZ-DARAHFNDSA-N 2 2 335.879 2.399 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245589933 160243447 /nfs/dbraw/zinc/24/34/47/160243447.db2.gz KNCGDHREGDNJHL-SJLPKXTDSA-N 2 2 326.444 2.425 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000245589933 160243448 /nfs/dbraw/zinc/24/34/48/160243448.db2.gz KNCGDHREGDNJHL-SJLPKXTDSA-N 2 2 326.444 2.425 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1cccc(C)c1 ZINC000247211140 160315528 /nfs/dbraw/zinc/31/55/28/160315528.db2.gz XUEHWPVYUMEWOP-ZWKOTPCHSA-N 2 2 329.444 2.404 10 0 EEAELP C[C@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000247232430 160316014 /nfs/dbraw/zinc/31/60/14/160316014.db2.gz DCCXUSAALDQNPO-APWZRJJASA-N 2 2 327.472 2.130 10 0 EEAELP C[C@H](C(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000247232430 160316017 /nfs/dbraw/zinc/31/60/17/160316017.db2.gz DCCXUSAALDQNPO-APWZRJJASA-N 2 2 327.472 2.130 10 0 EEAELP C[C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247232430 160316019 /nfs/dbraw/zinc/31/60/19/160316019.db2.gz DCCXUSAALDQNPO-APWZRJJASA-N 2 2 327.472 2.130 10 0 EEAELP C[C@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000247232430 160316021 /nfs/dbraw/zinc/31/60/21/160316021.db2.gz DCCXUSAALDQNPO-APWZRJJASA-N 2 2 327.472 2.130 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1OC ZINC000343598098 161150347 /nfs/dbraw/zinc/15/03/47/161150347.db2.gz UQOZCLWWLCLCDC-WMZOPIPTSA-N 3 2 349.519 2.456 10 0 EEAELP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1OC ZINC000343598098 161150348 /nfs/dbraw/zinc/15/03/48/161150348.db2.gz UQOZCLWWLCLCDC-WMZOPIPTSA-N 3 2 349.519 2.456 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000343774420 161166876 /nfs/dbraw/zinc/16/68/76/161166876.db2.gz XJRNVWWYRCHRRM-WZRBSPASSA-N 2 2 333.259 2.273 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000343774420 161166877 /nfs/dbraw/zinc/16/68/77/161166877.db2.gz XJRNVWWYRCHRRM-WZRBSPASSA-N 2 2 333.259 2.273 10 0 EEAELP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](CCOC)C3)cc2)n1 ZINC000344114188 161199670 /nfs/dbraw/zinc/19/96/70/161199670.db2.gz MUBIMMUVAVWRRW-QGZVFWFLSA-N 2 2 344.459 2.152 10 0 EEAELP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](CCOC)C3)cc2)n1 ZINC000344114188 161199671 /nfs/dbraw/zinc/19/96/71/161199671.db2.gz MUBIMMUVAVWRRW-QGZVFWFLSA-N 2 2 344.459 2.152 10 0 EEAELP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC000344360107 161220311 /nfs/dbraw/zinc/22/03/11/161220311.db2.gz PFCIIOXVHPLUAU-YOEHRIQHSA-N 3 2 336.549 2.457 10 0 EEAELP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC000344360107 161220312 /nfs/dbraw/zinc/22/03/12/161220312.db2.gz PFCIIOXVHPLUAU-YOEHRIQHSA-N 3 2 336.549 2.457 10 0 EEAELP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000367851799 166011210 /nfs/dbraw/zinc/01/12/10/166011210.db2.gz WPOHBAOTGAXVCK-NRFANRHFSA-N 2 2 343.515 2.496 10 0 EEAELP CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000367851799 166011211 /nfs/dbraw/zinc/01/12/11/166011211.db2.gz WPOHBAOTGAXVCK-NRFANRHFSA-N 2 2 343.515 2.496 10 0 EEAELP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000367851799 166011212 /nfs/dbraw/zinc/01/12/12/166011212.db2.gz WPOHBAOTGAXVCK-NRFANRHFSA-N 2 2 343.515 2.496 10 0 EEAELP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000367851799 166011213 /nfs/dbraw/zinc/01/12/13/166011213.db2.gz WPOHBAOTGAXVCK-NRFANRHFSA-N 2 2 343.515 2.496 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCC[NH+]1CCOCC1 ZINC000370011743 166377092 /nfs/dbraw/zinc/37/70/92/166377092.db2.gz QGKCBQJDAXNGAK-LJQANCHMSA-N 2 2 331.504 2.305 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCC[NH+]1CCOCC1 ZINC000370011743 166377098 /nfs/dbraw/zinc/37/70/98/166377098.db2.gz QGKCBQJDAXNGAK-LJQANCHMSA-N 2 2 331.504 2.305 10 0 EEAELP CC[C@@H](C)[C@@H](OC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000373535787 166906733 /nfs/dbraw/zinc/90/67/33/166906733.db2.gz MLCQXPKPHJLELX-IAGOWNOFSA-N 2 2 339.524 2.114 10 0 EEAELP O=S(=O)(CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Cc1ccccc1 ZINC000279672492 269299557 /nfs/dbraw/zinc/29/95/57/269299557.db2.gz FQXIRPOHHVQUDO-UHFFFAOYSA-N 2 2 333.457 2.204 10 0 EEAELP CCO[C@H]1C[C@](O)(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)C1(C)C ZINC000189430813 273707042 /nfs/dbraw/zinc/70/70/42/273707042.db2.gz JZBGNEWDMGPIDP-ICSRJNTNSA-N 2 2 347.503 2.202 10 0 EEAELP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC[C@H]1C ZINC000251872181 274099582 /nfs/dbraw/zinc/09/95/82/274099582.db2.gz PBTHRLUMVMXCIL-VVFCZOMOSA-N 2 2 331.460 2.371 10 0 EEAELP CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC[C@H]1C ZINC000251872181 274099583 /nfs/dbraw/zinc/09/95/83/274099583.db2.gz PBTHRLUMVMXCIL-VVFCZOMOSA-N 2 2 331.460 2.371 10 0 EEAELP Cc1nc(N2CC[NH+]([C@H](C)c3ccsc3)CC2)nc(N(C)C)[nH+]1 ZINC000360874827 274840249 /nfs/dbraw/zinc/84/02/49/274840249.db2.gz BBKMTJKHHIAEJA-GFCCVEGCSA-N 2 2 332.477 2.191 10 0 EEAELP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289446298 275116486 /nfs/dbraw/zinc/11/64/86/275116486.db2.gz WZICZLDMHYCYMP-GOEBONIOSA-N 2 2 346.475 2.048 10 0 EEAELP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000289446298 275116487 /nfs/dbraw/zinc/11/64/87/275116487.db2.gz WZICZLDMHYCYMP-GOEBONIOSA-N 2 2 346.475 2.048 10 0 EEAELP CCC(CC)[C@H](CNC(=O)[C@H]1CCCn2cc[nH+]c21)[NH+]1CCOCC1 ZINC000081536000 275958356 /nfs/dbraw/zinc/95/83/56/275958356.db2.gz WDHJHROQHCGSQJ-IRXDYDNUSA-N 2 2 348.491 2.014 10 0 EEAELP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366107983 276325863 /nfs/dbraw/zinc/32/58/63/276325863.db2.gz WUOVUVCTJVTERV-OAHLLOKOSA-N 2 2 335.496 2.276 10 0 EEAELP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366107983 276325866 /nfs/dbraw/zinc/32/58/66/276325866.db2.gz WUOVUVCTJVTERV-OAHLLOKOSA-N 2 2 335.496 2.276 10 0 EEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423084765 277592327 /nfs/dbraw/zinc/59/23/27/277592327.db2.gz IVKPSPKMCIYUCQ-IYOFFGIQSA-N 3 2 349.441 2.148 10 0 EEAELP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H](O)C(F)(F)F ZINC000428396229 279242375 /nfs/dbraw/zinc/24/23/75/279242375.db2.gz DUMAOQKPYSKXPN-AWEZNQCLSA-N 2 2 328.338 2.321 10 0 EEAELP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H](O)C(F)(F)F ZINC000428396229 279242378 /nfs/dbraw/zinc/24/23/78/279242378.db2.gz DUMAOQKPYSKXPN-AWEZNQCLSA-N 2 2 328.338 2.321 10 0 EEAELP Clc1cnc(NCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422776444 279297356 /nfs/dbraw/zinc/29/73/56/279297356.db2.gz DOCDURIISRFXIS-UONOGXRCSA-N 2 2 345.274 2.157 10 0 EEAELP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416947413 313369284 /nfs/dbraw/zinc/36/92/84/313369284.db2.gz YAZUQPRDWVYYQN-FZMZJTMJSA-N 2 2 335.839 2.399 10 0 EEAELP CCc1cc(N2CC[NH+]([C@@H](C)C(=O)NC3CCCC3)CC2)cc[nH+]1 ZINC000450317248 315442308 /nfs/dbraw/zinc/44/23/08/315442308.db2.gz SFVYOJBXUXVHEV-HNNXBMFYSA-N 2 2 330.476 2.213 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000528009117 317302429 /nfs/dbraw/zinc/30/24/29/317302429.db2.gz GOOXLGYDLJUSTE-KSSFIOAISA-N 2 2 326.448 2.330 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000528009117 317302433 /nfs/dbraw/zinc/30/24/33/317302433.db2.gz GOOXLGYDLJUSTE-KSSFIOAISA-N 2 2 326.448 2.330 10 0 EEAELP CC[N@@H+]1CCc2nc(NC(=O)Cn3c[nH+]c4c3CCCC4)sc2C1 ZINC000537543560 318018896 /nfs/dbraw/zinc/01/88/96/318018896.db2.gz QQQHENPRDYMJQV-UHFFFAOYSA-N 2 2 345.472 2.235 10 0 EEAELP CC[N@H+]1CCc2nc(NC(=O)Cn3c[nH+]c4c3CCCC4)sc2C1 ZINC000537543560 318018898 /nfs/dbraw/zinc/01/88/98/318018898.db2.gz QQQHENPRDYMJQV-UHFFFAOYSA-N 2 2 345.472 2.235 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1cccs1 ZINC000538652820 318039364 /nfs/dbraw/zinc/03/93/64/318039364.db2.gz MCPPCTNGAGLKES-OAHLLOKOSA-N 2 2 332.473 2.243 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000538712029 318043000 /nfs/dbraw/zinc/04/30/00/318043000.db2.gz QHTYBSNNJQVCRW-SFHVURJKSA-N 2 2 333.395 2.184 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000538712029 318043001 /nfs/dbraw/zinc/04/30/01/318043001.db2.gz QHTYBSNNJQVCRW-SFHVURJKSA-N 2 2 333.395 2.184 10 0 EEAELP C[C@H](c1cccc(NC(=O)N(C)CCC[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000542678214 318136484 /nfs/dbraw/zinc/13/64/84/318136484.db2.gz ZSULYEIMTKYNLS-MRXNPFEDSA-N 2 2 348.491 2.495 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000545859712 318229085 /nfs/dbraw/zinc/22/90/85/318229085.db2.gz WDAFZOPSZPJZIF-UHFFFAOYSA-N 2 2 347.850 2.439 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000545859712 318229087 /nfs/dbraw/zinc/22/90/87/318229087.db2.gz WDAFZOPSZPJZIF-UHFFFAOYSA-N 2 2 347.850 2.439 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000563546696 319022303 /nfs/dbraw/zinc/02/23/03/319022303.db2.gz JFTIBXJARAFGHZ-MRXNPFEDSA-N 2 2 330.476 2.420 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)C1 ZINC000563546696 319022305 /nfs/dbraw/zinc/02/23/05/319022305.db2.gz JFTIBXJARAFGHZ-MRXNPFEDSA-N 2 2 330.476 2.420 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000565157054 319153969 /nfs/dbraw/zinc/15/39/69/319153969.db2.gz KZNMDZPTMBDXLL-CHWSQXEVSA-N 2 2 344.381 2.010 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000565157054 319153971 /nfs/dbraw/zinc/15/39/71/319153971.db2.gz KZNMDZPTMBDXLL-CHWSQXEVSA-N 2 2 344.381 2.010 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000565842269 319220104 /nfs/dbraw/zinc/22/01/04/319220104.db2.gz CYBJGOCRBVYFJC-QGZVFWFLSA-N 2 2 347.528 2.062 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000565842269 319220106 /nfs/dbraw/zinc/22/01/06/319220106.db2.gz CYBJGOCRBVYFJC-QGZVFWFLSA-N 2 2 347.528 2.062 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1ccc2ccccc2c1 ZINC000566129367 319249042 /nfs/dbraw/zinc/24/90/42/319249042.db2.gz CMSQWHDECJSMIX-IRXDYDNUSA-N 2 2 337.423 2.450 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COc1ccc2ccccc2c1 ZINC000566129367 319249045 /nfs/dbraw/zinc/24/90/45/319249045.db2.gz CMSQWHDECJSMIX-IRXDYDNUSA-N 2 2 337.423 2.450 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2scnc2C2CC2)C1=O ZINC000567009152 319339449 /nfs/dbraw/zinc/33/94/49/319339449.db2.gz WPIUMXRGFPLUPY-CYBMUJFWSA-N 2 2 345.472 2.035 10 0 EEAELP CC[C@H]([NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21)[C@H](O)C(F)F ZINC000572243193 319828210 /nfs/dbraw/zinc/82/82/10/319828210.db2.gz PYCFYTKAFWOPPE-XEZPLFJOSA-N 2 2 341.402 2.008 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000574684430 320047310 /nfs/dbraw/zinc/04/73/10/320047310.db2.gz NWFLTPPSSWYUAW-HNNXBMFYSA-N 2 2 337.439 2.163 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000574684430 320047312 /nfs/dbraw/zinc/04/73/12/320047312.db2.gz NWFLTPPSSWYUAW-HNNXBMFYSA-N 2 2 337.439 2.163 10 0 EEAELP c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@]4(CC[NH2+]C4)C3)c12 ZINC000574863169 320063990 /nfs/dbraw/zinc/06/39/90/320063990.db2.gz DGQLAUHETZCZBM-LJQANCHMSA-N 2 2 334.427 2.395 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[C@H]([NH+]3CCCC3)C2)[nH+]1 ZINC000579887904 323948923 /nfs/dbraw/zinc/94/89/23/323948923.db2.gz AVCPSEZEHWQEDI-SFHVURJKSA-N 2 2 332.492 2.224 10 0 EEAELP COC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000580225472 324019829 /nfs/dbraw/zinc/01/98/29/324019829.db2.gz ZBEAHRYYWBAKNR-ZIAGYGMSSA-N 2 2 328.416 2.372 10 0 EEAELP COC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000580225472 324019836 /nfs/dbraw/zinc/01/98/36/324019836.db2.gz ZBEAHRYYWBAKNR-ZIAGYGMSSA-N 2 2 328.416 2.372 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3c(C)cccn23)[C@@H]1n1cccn1 ZINC000580630572 324100524 /nfs/dbraw/zinc/10/05/24/324100524.db2.gz UPDMGZFYNOUFQP-BBWFWOEESA-N 2 2 325.416 2.348 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000049157792 462957058 /nfs/dbraw/zinc/95/70/58/462957058.db2.gz RFYVNSHVMCLLNJ-HZPDHXFCSA-N 2 2 347.507 2.315 10 0 EEAELP CC(=O)Nc1ccc(C[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000184766928 465025448 /nfs/dbraw/zinc/02/54/48/465025448.db2.gz UGXAIMHVWCOJIM-UHFFFAOYSA-N 2 2 325.416 2.066 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000358293696 465042057 /nfs/dbraw/zinc/04/20/57/465042057.db2.gz AVESZNMGCHDDSY-JYBIWHBTSA-N 2 2 345.487 2.220 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000358293696 465042061 /nfs/dbraw/zinc/04/20/61/465042061.db2.gz AVESZNMGCHDDSY-JYBIWHBTSA-N 2 2 345.487 2.220 10 0 EEAELP CCS(=O)(=O)CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328604447 465066717 /nfs/dbraw/zinc/06/67/17/465066717.db2.gz JXMSQUFLVHCYIX-OAHLLOKOSA-N 2 2 342.530 2.127 10 0 EEAELP CCS(=O)(=O)CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000328604447 465066722 /nfs/dbraw/zinc/06/67/22/465066722.db2.gz JXMSQUFLVHCYIX-OAHLLOKOSA-N 2 2 342.530 2.127 10 0 EEAELP Cc1nccc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000351446721 465158711 /nfs/dbraw/zinc/15/87/11/465158711.db2.gz BWAJFYLPUVORHL-UHFFFAOYSA-N 2 2 339.487 2.035 10 0 EEAELP Cc1nccc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000351446721 465158720 /nfs/dbraw/zinc/15/87/20/465158720.db2.gz BWAJFYLPUVORHL-UHFFFAOYSA-N 2 2 339.487 2.035 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000074535350 462611692 /nfs/dbraw/zinc/61/16/92/462611692.db2.gz IKBBNLBLNASWDR-INIZCTEOSA-N 2 2 333.480 2.309 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000089702169 462710183 /nfs/dbraw/zinc/71/01/83/462710183.db2.gz HIROOLIMVQLUOJ-AEFFLSMTSA-N 2 2 342.418 2.255 10 0 EEAELP O=C(NCCC[NH+]1CCCCC1)NCc1[nH+]ccn1CC(F)(F)F ZINC000076053588 462796400 /nfs/dbraw/zinc/79/64/00/462796400.db2.gz FLSVWHRXZHTHQX-UHFFFAOYSA-N 2 2 347.385 2.121 10 0 EEAELP Cc1cc(F)ccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121051619 463071594 /nfs/dbraw/zinc/07/15/94/463071594.db2.gz GEQIKYJZFAPLAI-HXUWFJFHSA-N 2 2 349.494 2.361 10 0 EEAELP C[NH+](C)C1CC[NH+](C(C)(C)CNC(=O)[C@H]2COc3ccccc32)CC1 ZINC000095396718 463075931 /nfs/dbraw/zinc/07/59/31/463075931.db2.gz OFZAMFDGZIVHIN-KRWDZBQOSA-N 2 2 345.487 2.083 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000052523600 463086346 /nfs/dbraw/zinc/08/63/46/463086346.db2.gz AVYKYKFVSRFCFI-QGZVFWFLSA-N 2 2 345.491 2.355 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000052523600 463086354 /nfs/dbraw/zinc/08/63/54/463086354.db2.gz AVYKYKFVSRFCFI-QGZVFWFLSA-N 2 2 345.491 2.355 10 0 EEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000079454429 463217213 /nfs/dbraw/zinc/21/72/13/463217213.db2.gz LSOMPMJPFUEULS-QGZVFWFLSA-N 2 2 347.507 2.326 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055569092 463333055 /nfs/dbraw/zinc/33/30/55/463333055.db2.gz PHERHRYNCCPLHH-MRXNPFEDSA-N 2 2 328.460 2.091 10 0 EEAELP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055569092 463333059 /nfs/dbraw/zinc/33/30/59/463333059.db2.gz PHERHRYNCCPLHH-MRXNPFEDSA-N 2 2 328.460 2.091 10 0 EEAELP Cc1cc([C@H]2C[N@H+](CCCN3CC[NH+](C)CC3)CCO2)ccc1F ZINC000097235666 463352767 /nfs/dbraw/zinc/35/27/67/463352767.db2.gz HSPOZTKMHLCSAY-LJQANCHMSA-N 2 2 335.467 2.145 10 0 EEAELP Cc1cc([C@H]2C[N@@H+](CCCN3CC[NH+](C)CC3)CCO2)ccc1F ZINC000097235666 463352772 /nfs/dbraw/zinc/35/27/72/463352772.db2.gz HSPOZTKMHLCSAY-LJQANCHMSA-N 2 2 335.467 2.145 10 0 EEAELP COc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123647798 463357432 /nfs/dbraw/zinc/35/74/32/463357432.db2.gz HMZZRWWXUYULCD-HNNXBMFYSA-N 2 2 342.443 2.322 10 0 EEAELP COc1cccc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123647798 463357454 /nfs/dbraw/zinc/35/74/54/463357454.db2.gz HMZZRWWXUYULCD-HNNXBMFYSA-N 2 2 342.443 2.322 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)C1 ZINC000081096623 463394813 /nfs/dbraw/zinc/39/48/13/463394813.db2.gz MXBZUJDKKJYYPL-VQIMIIECSA-N 2 2 342.487 2.285 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)C1 ZINC000081096623 463394816 /nfs/dbraw/zinc/39/48/16/463394816.db2.gz MXBZUJDKKJYYPL-VQIMIIECSA-N 2 2 342.487 2.285 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)C1 ZINC000081096623 463394817 /nfs/dbraw/zinc/39/48/17/463394817.db2.gz MXBZUJDKKJYYPL-VQIMIIECSA-N 2 2 342.487 2.285 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@H](C)C1 ZINC000081096623 463394821 /nfs/dbraw/zinc/39/48/21/463394821.db2.gz MXBZUJDKKJYYPL-VQIMIIECSA-N 2 2 342.487 2.285 10 0 EEAELP CC1CCC(NC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000105875581 463484828 /nfs/dbraw/zinc/48/48/28/463484828.db2.gz AEAAXZJMORCZTE-UHFFFAOYSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCc3ccccc3C1)C2 ZINC000072277918 463495100 /nfs/dbraw/zinc/49/51/00/463495100.db2.gz VNAVPSFEJNZPJR-QAPCUYQASA-N 2 2 338.455 2.069 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@@H](C)[N@H+]1CCc3ccccc3C1)C2 ZINC000072277918 463495105 /nfs/dbraw/zinc/49/51/05/463495105.db2.gz VNAVPSFEJNZPJR-QAPCUYQASA-N 2 2 338.455 2.069 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000579489048 468366674 /nfs/dbraw/zinc/36/66/74/468366674.db2.gz GUMWUIUGVYJOBS-IRXDYDNUSA-N 2 2 326.868 2.320 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000579489048 468366679 /nfs/dbraw/zinc/36/66/79/468366679.db2.gz GUMWUIUGVYJOBS-IRXDYDNUSA-N 2 2 326.868 2.320 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000193685388 463728772 /nfs/dbraw/zinc/72/87/72/463728772.db2.gz AOANKLKHOKRTPX-OAHLLOKOSA-N 2 2 346.500 2.476 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000193685388 463728776 /nfs/dbraw/zinc/72/87/76/463728776.db2.gz AOANKLKHOKRTPX-OAHLLOKOSA-N 2 2 346.500 2.476 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000579562766 468376305 /nfs/dbraw/zinc/37/63/05/468376305.db2.gz AAYXBXGFGNIICT-OAHLLOKOSA-N 2 2 333.480 2.165 10 0 EEAELP C[C@@H](C[NH+](C)C)NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000287269812 463852772 /nfs/dbraw/zinc/85/27/72/463852772.db2.gz AWJSHCXYOSWNFZ-LBPRGKRZSA-N 2 2 325.482 2.201 10 0 EEAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(-c3ccccc3)n2)CC1 ZINC000171631268 463895838 /nfs/dbraw/zinc/89/58/38/463895838.db2.gz SVYGVCDCFWMUIF-OAHLLOKOSA-N 2 2 344.459 2.261 10 0 EEAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(-c3ccccc3)n2)CC1 ZINC000171631268 463895843 /nfs/dbraw/zinc/89/58/43/463895843.db2.gz SVYGVCDCFWMUIF-OAHLLOKOSA-N 2 2 344.459 2.261 10 0 EEAELP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000261913234 463897506 /nfs/dbraw/zinc/89/75/06/463897506.db2.gz JFYKQSBHMGBFEZ-VBSBHUPXSA-N 2 2 331.504 2.254 10 0 EEAELP C[C@H](CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000261913234 463897510 /nfs/dbraw/zinc/89/75/10/463897510.db2.gz JFYKQSBHMGBFEZ-VBSBHUPXSA-N 2 2 331.504 2.254 10 0 EEAELP Cc1ncsc1C[N@H+](CCOCC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000262065385 463937551 /nfs/dbraw/zinc/93/75/51/463937551.db2.gz AZNKCSAOCSFQEY-LBPRGKRZSA-N 2 2 337.411 2.442 10 0 EEAELP Cc1ncsc1C[N@@H+](CCOCC(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000262065385 463937553 /nfs/dbraw/zinc/93/75/53/463937553.db2.gz AZNKCSAOCSFQEY-LBPRGKRZSA-N 2 2 337.411 2.442 10 0 EEAELP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195292828 464034152 /nfs/dbraw/zinc/03/41/52/464034152.db2.gz NQOCLXLVSUDCCT-RTBURBONSA-N 2 2 344.503 2.235 10 0 EEAELP CC(C)N1CCC[C@@H]([N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1=O ZINC000195292828 464034157 /nfs/dbraw/zinc/03/41/57/464034157.db2.gz NQOCLXLVSUDCCT-RTBURBONSA-N 2 2 344.503 2.235 10 0 EEAELP CC(C)N1CCC[C@@H]([NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1=O ZINC000195292828 464034162 /nfs/dbraw/zinc/03/41/62/464034162.db2.gz NQOCLXLVSUDCCT-RTBURBONSA-N 2 2 344.503 2.235 10 0 EEAELP CC(C)N1CCC[C@@H]([NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1=O ZINC000195292828 464034167 /nfs/dbraw/zinc/03/41/67/464034167.db2.gz NQOCLXLVSUDCCT-RTBURBONSA-N 2 2 344.503 2.235 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]Cc3ccc4c[nH+]cn4c3)c2cc1C ZINC000579701490 468397646 /nfs/dbraw/zinc/39/76/46/468397646.db2.gz HKUTZUPCJGJVGG-SFHVURJKSA-N 3 2 349.438 2.452 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000173675985 464307185 /nfs/dbraw/zinc/30/71/85/464307185.db2.gz BWMWIACICUXHBI-NVXWUHKLSA-N 2 2 345.491 2.306 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000173675985 464307190 /nfs/dbraw/zinc/30/71/90/464307190.db2.gz BWMWIACICUXHBI-NVXWUHKLSA-N 2 2 345.491 2.306 10 0 EEAELP O=C(C1CCC1)N1CC[NH+](CCNc2cc[nH+]c3ccccc23)CC1 ZINC000343028777 465463747 /nfs/dbraw/zinc/46/37/47/465463747.db2.gz SPAHWLRAGGHYFX-UHFFFAOYSA-N 2 2 338.455 2.013 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272173995 464506114 /nfs/dbraw/zinc/50/61/14/464506114.db2.gz GWRCNAZAISORJB-HNNXBMFYSA-N 2 2 327.432 2.262 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272173995 464506117 /nfs/dbraw/zinc/50/61/17/464506117.db2.gz GWRCNAZAISORJB-HNNXBMFYSA-N 2 2 327.432 2.262 10 0 EEAELP CCN(CCC[NH+]1CCCC1)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000190123275 464598941 /nfs/dbraw/zinc/59/89/41/464598941.db2.gz ZVZRPJWOPRDLJA-UHFFFAOYSA-N 2 2 333.480 2.165 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@H]1CCC[NH+](C)C1 ZINC000246856644 464628495 /nfs/dbraw/zinc/62/84/95/464628495.db2.gz KMYUHTSZXFOWIF-UONOGXRCSA-N 2 2 335.414 2.061 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@H]1CCC[NH+](C)C1 ZINC000246856644 464628499 /nfs/dbraw/zinc/62/84/99/464628499.db2.gz KMYUHTSZXFOWIF-UONOGXRCSA-N 2 2 335.414 2.061 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000246856644 464628504 /nfs/dbraw/zinc/62/85/04/464628504.db2.gz KMYUHTSZXFOWIF-UONOGXRCSA-N 2 2 335.414 2.061 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000246856644 464628507 /nfs/dbraw/zinc/62/85/07/464628507.db2.gz KMYUHTSZXFOWIF-UONOGXRCSA-N 2 2 335.414 2.061 10 0 EEAELP CC(C)(C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285729210 464675247 /nfs/dbraw/zinc/67/52/47/464675247.db2.gz XJEUFWCJUYJKRL-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP CC(C)(C)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285729210 464675250 /nfs/dbraw/zinc/67/52/50/464675250.db2.gz XJEUFWCJUYJKRL-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP CC(C)(C)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285729210 464675253 /nfs/dbraw/zinc/67/52/53/464675253.db2.gz XJEUFWCJUYJKRL-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP CC(C)(C)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285729210 464675254 /nfs/dbraw/zinc/67/52/54/464675254.db2.gz XJEUFWCJUYJKRL-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCc1ccco1 ZINC000282203199 464734131 /nfs/dbraw/zinc/73/41/31/464734131.db2.gz XICKIKZORBBFQK-HNNXBMFYSA-N 2 2 342.443 2.308 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCc1ccco1 ZINC000282203199 464734136 /nfs/dbraw/zinc/73/41/36/464734136.db2.gz XICKIKZORBBFQK-HNNXBMFYSA-N 2 2 342.443 2.308 10 0 EEAELP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CCC4(CCOCC4)[C@@H]3O)n2c1 ZINC000282657900 464900211 /nfs/dbraw/zinc/90/02/11/464900211.db2.gz IJNWZWASLRZGRD-MAUKXSAKSA-N 2 2 329.444 2.300 10 0 EEAELP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000252736388 464989208 /nfs/dbraw/zinc/98/92/08/464989208.db2.gz URHFLPNPDGSGNF-OAGGEKHMSA-N 2 2 325.403 2.166 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000371063831 465577804 /nfs/dbraw/zinc/57/78/04/465577804.db2.gz ISZAIKCELJPNBS-MSOLQXFVSA-N 2 2 346.450 2.061 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(F)cc1 ZINC000371063831 465577806 /nfs/dbraw/zinc/57/78/06/465577806.db2.gz ISZAIKCELJPNBS-MSOLQXFVSA-N 2 2 346.450 2.061 10 0 EEAELP C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000362418264 465722860 /nfs/dbraw/zinc/72/28/60/465722860.db2.gz FSVGMDBMWDBHPP-QZTJIDSGSA-N 2 2 329.488 2.451 10 0 EEAELP C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000362418264 465722864 /nfs/dbraw/zinc/72/28/64/465722864.db2.gz FSVGMDBMWDBHPP-QZTJIDSGSA-N 2 2 329.488 2.451 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)c1ccccc1 ZINC000357113959 465784277 /nfs/dbraw/zinc/78/42/77/465784277.db2.gz AEINPTLWWXBVGS-GOSISDBHSA-N 2 2 335.411 2.300 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353467858 465907319 /nfs/dbraw/zinc/90/73/19/465907319.db2.gz NDNAKJKAHHBKSW-LSDHHAIUSA-N 2 2 332.835 2.240 10 0 EEAELP Cc1noc(C)c1C[NH+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000569229368 468460576 /nfs/dbraw/zinc/46/05/76/468460576.db2.gz KPJDCUZSPAQBSR-UHFFFAOYSA-N 2 2 340.471 2.255 10 0 EEAELP C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340249366 465921178 /nfs/dbraw/zinc/92/11/78/465921178.db2.gz GPPGWGLAKLQULA-DNVCBOLYSA-N 2 2 344.503 2.245 10 0 EEAELP O=S1(=O)CC[C@@H]([N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)C1 ZINC000346150038 465939827 /nfs/dbraw/zinc/93/98/27/465939827.db2.gz MCMAASFCRBHZHJ-CYBMUJFWSA-N 2 2 337.470 2.085 10 0 EEAELP O=S1(=O)CC[C@@H]([N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C2CC2)C1 ZINC000346150038 465939830 /nfs/dbraw/zinc/93/98/30/465939830.db2.gz MCMAASFCRBHZHJ-CYBMUJFWSA-N 2 2 337.470 2.085 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000366798829 465940688 /nfs/dbraw/zinc/94/06/88/465940688.db2.gz JAVVHVDKMFHXTP-QGZVFWFLSA-N 2 2 339.443 2.134 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000366798829 465940696 /nfs/dbraw/zinc/94/06/96/465940696.db2.gz JAVVHVDKMFHXTP-QGZVFWFLSA-N 2 2 339.443 2.134 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000340334331 465999481 /nfs/dbraw/zinc/99/94/81/465999481.db2.gz RNJSXJGZPCVCMH-ROUUACIJSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000340334331 465999488 /nfs/dbraw/zinc/99/94/88/465999488.db2.gz RNJSXJGZPCVCMH-ROUUACIJSA-N 2 2 345.487 2.003 10 0 EEAELP Cc1[nH+]ccn1-c1cncc(N2CCN(c3cc(C)cc[nH+]3)CC2)n1 ZINC000301976100 466072021 /nfs/dbraw/zinc/07/20/21/466072021.db2.gz MDVGVSYBHKPCFQ-UHFFFAOYSA-N 2 2 335.415 2.001 10 0 EEAELP COc1ccccc1-c1ncc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000580145626 468471249 /nfs/dbraw/zinc/47/12/49/468471249.db2.gz ONQMEJZPBJQGSL-HNNXBMFYSA-N 2 2 335.411 2.453 10 0 EEAELP Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000340587550 466189266 /nfs/dbraw/zinc/18/92/66/466189266.db2.gz KTZIJDYEKCBGDG-GJZGRUSLSA-N 2 2 346.866 2.757 10 0 EEAELP Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000340587550 466189273 /nfs/dbraw/zinc/18/92/73/466189273.db2.gz KTZIJDYEKCBGDG-GJZGRUSLSA-N 2 2 346.866 2.757 10 0 EEAELP COc1ccccc1C[NH+]1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000347033526 466337088 /nfs/dbraw/zinc/33/70/88/466337088.db2.gz RLVDFNBCWBAFTN-UHFFFAOYSA-N 2 2 345.487 2.071 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000358198767 466533807 /nfs/dbraw/zinc/53/38/07/466533807.db2.gz YYFRYYGPVFSZNV-OWYHZJEWSA-N 2 2 327.472 2.250 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000358198767 466533811 /nfs/dbraw/zinc/53/38/11/466533811.db2.gz YYFRYYGPVFSZNV-OWYHZJEWSA-N 2 2 327.472 2.250 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000373060948 466679355 /nfs/dbraw/zinc/67/93/55/466679355.db2.gz WROZVASSTAINHY-QGZVFWFLSA-N 2 2 347.507 2.431 10 0 EEAELP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423251113 466703512 /nfs/dbraw/zinc/70/35/12/466703512.db2.gz WBLNXTSGVKKQME-KDOFPFPSSA-N 2 2 347.484 2.288 10 0 EEAELP COC[C@]1(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CCC[NH2+]1 ZINC000423425538 466746457 /nfs/dbraw/zinc/74/64/57/466746457.db2.gz MIYMFABZNYHKSG-FZKQIMNGSA-N 2 2 335.448 2.073 10 0 EEAELP CC[NH2+]CC1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000417082910 466773575 /nfs/dbraw/zinc/77/35/75/466773575.db2.gz SNNCFWMYKNTYSN-UHFFFAOYSA-N 2 2 345.491 2.082 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@H+](C)CC1 ZINC000411160114 466775673 /nfs/dbraw/zinc/77/56/73/466775673.db2.gz WMEKEKIANCBVFT-AWEZNQCLSA-N 2 2 327.432 2.041 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N1CCC[N@@H+](C)CC1 ZINC000411160114 466775676 /nfs/dbraw/zinc/77/56/76/466775676.db2.gz WMEKEKIANCBVFT-AWEZNQCLSA-N 2 2 327.432 2.041 10 0 EEAELP Cc1c(-c2cc(C[NH+]3CCC(c4c[nH]c[nH+]4)CC3)on2)cnn1C ZINC000375111502 466809325 /nfs/dbraw/zinc/80/93/25/466809325.db2.gz CEWYKILMVRLZHI-UHFFFAOYSA-N 2 2 326.404 2.486 10 0 EEAELP Cc1c(-c2cc(C[NH+]3CCC(c4c[nH+]c[nH]4)CC3)on2)cnn1C ZINC000375111502 466809330 /nfs/dbraw/zinc/80/93/30/466809330.db2.gz CEWYKILMVRLZHI-UHFFFAOYSA-N 2 2 326.404 2.486 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423749516 466823814 /nfs/dbraw/zinc/82/38/14/466823814.db2.gz VWIJYVKNDSNWQO-IIDMSEBBSA-N 2 2 333.451 2.419 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412100502 467008840 /nfs/dbraw/zinc/00/88/40/467008840.db2.gz ISLDGCIIDUXXIG-QFBILLFUSA-N 2 2 331.460 2.190 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000412100502 467008844 /nfs/dbraw/zinc/00/88/44/467008844.db2.gz ISLDGCIIDUXXIG-QFBILLFUSA-N 2 2 331.460 2.190 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983084 467010545 /nfs/dbraw/zinc/01/05/45/467010545.db2.gz LNJXUNQTYYNAJU-CABCVRRESA-N 2 2 342.846 2.133 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983084 467010551 /nfs/dbraw/zinc/01/05/51/467010551.db2.gz LNJXUNQTYYNAJU-CABCVRRESA-N 2 2 342.846 2.133 10 0 EEAELP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000412699851 467113180 /nfs/dbraw/zinc/11/31/80/467113180.db2.gz PPHUSQPRSZTKKW-INIZCTEOSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000412699851 467113181 /nfs/dbraw/zinc/11/31/81/467113181.db2.gz PPHUSQPRSZTKKW-INIZCTEOSA-N 2 2 338.455 2.494 10 0 EEAELP CN(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000418748502 467154480 /nfs/dbraw/zinc/15/44/80/467154480.db2.gz KWCXLVKNXMWIQA-ZIAGYGMSSA-N 2 2 349.385 2.138 10 0 EEAELP O=C(C[NH2+][C@@H]1CC2CCC1CC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000432994206 467282288 /nfs/dbraw/zinc/28/22/88/467282288.db2.gz UHJNCFSNEGXYFQ-LEOMRAHMSA-N 2 2 331.460 2.092 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[N@@H+]1C1CC1 ZINC000397585588 467443907 /nfs/dbraw/zinc/44/39/07/467443907.db2.gz IWXALPVRJMBHFF-IEBWSBKVSA-N 3 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[N@H+]1C1CC1 ZINC000397585588 467443911 /nfs/dbraw/zinc/44/39/11/467443911.db2.gz IWXALPVRJMBHFF-IEBWSBKVSA-N 3 2 343.515 2.228 10 0 EEAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCCO2 ZINC000453268597 467474281 /nfs/dbraw/zinc/47/42/81/467474281.db2.gz QHWPMNASUIXPCW-IAGOWNOFSA-N 2 2 334.460 2.345 10 0 EEAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCCO2 ZINC000453268597 467474283 /nfs/dbraw/zinc/47/42/83/467474283.db2.gz QHWPMNASUIXPCW-IAGOWNOFSA-N 2 2 334.460 2.345 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@](C)(F)C3)CC2)CC1 ZINC000454447362 467593548 /nfs/dbraw/zinc/59/35/48/467593548.db2.gz FSEMHNDCMZEHOQ-SFHVURJKSA-N 2 2 340.487 2.079 10 0 EEAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000449397869 467638034 /nfs/dbraw/zinc/63/80/34/467638034.db2.gz SECXMDQHLUJWGO-OAHLLOKOSA-N 2 2 340.851 2.063 10 0 EEAELP COC(=O)c1ccc(Cl)c(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000449397869 467638038 /nfs/dbraw/zinc/63/80/38/467638038.db2.gz SECXMDQHLUJWGO-OAHLLOKOSA-N 2 2 340.851 2.063 10 0 EEAELP CC1([NH+]2CCOCC2)CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000529665339 467892398 /nfs/dbraw/zinc/89/23/98/467892398.db2.gz XSXVDIUOLRGFFZ-UHFFFAOYSA-N 2 2 341.459 2.158 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CC(C(C)(C)C)C1 ZINC000458852630 467910334 /nfs/dbraw/zinc/91/03/34/467910334.db2.gz MMOQCPHZTWOJKH-UHFFFAOYSA-N 2 2 338.540 2.479 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CC(C(C)(C)C)C1 ZINC000458852630 467910337 /nfs/dbraw/zinc/91/03/37/467910337.db2.gz MMOQCPHZTWOJKH-UHFFFAOYSA-N 2 2 338.540 2.479 10 0 EEAELP C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000515432470 467991653 /nfs/dbraw/zinc/99/16/53/467991653.db2.gz DWRFEWVSMALGJM-QGZVFWFLSA-N 2 2 329.488 2.309 10 0 EEAELP C[C@H]1CN(C(=O)C[NH+]2CC(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000515432470 467991654 /nfs/dbraw/zinc/99/16/54/467991654.db2.gz DWRFEWVSMALGJM-QGZVFWFLSA-N 2 2 329.488 2.309 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000518391125 468114378 /nfs/dbraw/zinc/11/43/78/468114378.db2.gz LWKOHVITZJQUEZ-KRWDZBQOSA-N 2 2 345.491 2.096 10 0 EEAELP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000518391125 468114379 /nfs/dbraw/zinc/11/43/79/468114379.db2.gz LWKOHVITZJQUEZ-KRWDZBQOSA-N 2 2 345.491 2.096 10 0 EEAELP CSc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000582237314 468510510 /nfs/dbraw/zinc/51/05/10/468510510.db2.gz WCAWLNDDYLHEOJ-OLZOCXBDSA-N 2 2 333.457 2.018 10 0 EEAELP CSc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000582237314 468510514 /nfs/dbraw/zinc/51/05/14/468510514.db2.gz WCAWLNDDYLHEOJ-OLZOCXBDSA-N 2 2 333.457 2.018 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)[C@@H]1n1cccn1 ZINC000570062729 468585839 /nfs/dbraw/zinc/58/58/39/468585839.db2.gz WKYDKZSBCFLDMW-JZXOWHBKSA-N 2 2 325.416 2.348 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000570307249 468620810 /nfs/dbraw/zinc/62/08/10/468620810.db2.gz PRIPRQAVVMXBEV-AEFFLSMTSA-N 2 2 341.459 2.245 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000600771837 468653305 /nfs/dbraw/zinc/65/33/05/468653305.db2.gz BMPYGZSINQIPBG-AAEUAGOBSA-N 2 2 332.400 2.458 10 0 EEAELP CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000601253421 468799111 /nfs/dbraw/zinc/79/91/11/468799111.db2.gz SGBZHXQKJXCHCI-KRWDZBQOSA-N 2 2 345.491 2.222 10 0 EEAELP O=C(N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000572536849 468947370 /nfs/dbraw/zinc/94/73/70/468947370.db2.gz DSLKOUZCSYSVNW-BZUAXINKSA-N 2 2 339.443 2.380 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000562668598 469027616 /nfs/dbraw/zinc/02/76/16/469027616.db2.gz UPUPFEDFBJITMC-SJLPKXTDSA-N 2 2 333.476 2.149 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1 ZINC000562668598 469027620 /nfs/dbraw/zinc/02/76/20/469027620.db2.gz UPUPFEDFBJITMC-SJLPKXTDSA-N 2 2 333.476 2.149 10 0 EEAELP CC(C)OC(=O)c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595863882 469052032 /nfs/dbraw/zinc/05/20/32/469052032.db2.gz PWGFEEWXWZHZGE-LJQANCHMSA-N 2 2 346.471 2.283 10 0 EEAELP CC(C)OC(=O)c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595863882 469052033 /nfs/dbraw/zinc/05/20/33/469052033.db2.gz PWGFEEWXWZHZGE-LJQANCHMSA-N 2 2 346.471 2.283 10 0 EEAELP CCN1CC[NH+](Cc2ccc(NC(=O)C[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000573230753 469088486 /nfs/dbraw/zinc/08/84/86/469088486.db2.gz ASLKUDOYTSMXQM-QGZVFWFLSA-N 2 2 344.503 2.104 10 0 EEAELP C[C@H](c1ccc(NC(=O)C[NH+]2CC(C)(C)C2)cc1)[NH+]1CCOCC1 ZINC000573384224 469120980 /nfs/dbraw/zinc/12/09/80/469120980.db2.gz SNYQEFAWFJCTLN-OAHLLOKOSA-N 2 2 331.460 2.360 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000563150265 469183157 /nfs/dbraw/zinc/18/31/57/469183157.db2.gz NNEQBHJBZBKNDK-IBGZPJMESA-N 2 2 344.459 2.027 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1C ZINC000563150265 469183163 /nfs/dbraw/zinc/18/31/63/469183163.db2.gz NNEQBHJBZBKNDK-IBGZPJMESA-N 2 2 344.459 2.027 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008328 469466514 /nfs/dbraw/zinc/46/65/14/469466514.db2.gz VPBUEXFKTFBYMY-MRXNPFEDSA-N 2 2 346.393 2.003 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008328 469466519 /nfs/dbraw/zinc/46/65/19/469466519.db2.gz VPBUEXFKTFBYMY-MRXNPFEDSA-N 2 2 346.393 2.003 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008328 469466520 /nfs/dbraw/zinc/46/65/20/469466520.db2.gz VPBUEXFKTFBYMY-MRXNPFEDSA-N 2 2 346.393 2.003 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008328 469466526 /nfs/dbraw/zinc/46/65/26/469466526.db2.gz VPBUEXFKTFBYMY-MRXNPFEDSA-N 2 2 346.393 2.003 10 0 EEAELP CCOc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1OC(F)F ZINC000629387756 469528800 /nfs/dbraw/zinc/52/88/00/469528800.db2.gz MNSLOAYRPPRJRD-UHFFFAOYSA-N 2 2 330.375 2.284 10 0 EEAELP FC(F)C[NH+]1CCC(C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000623089462 469547061 /nfs/dbraw/zinc/54/70/61/469547061.db2.gz IJNPTCGSHXTJPW-UHFFFAOYSA-N 2 2 349.429 2.393 10 0 EEAELP C[C@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000617013281 469571341 /nfs/dbraw/zinc/57/13/41/469571341.db2.gz PXKDRMDIJZOBGI-QAPCUYQASA-N 2 2 329.488 2.422 10 0 EEAELP C[C@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000617013281 469571345 /nfs/dbraw/zinc/57/13/45/469571345.db2.gz PXKDRMDIJZOBGI-QAPCUYQASA-N 2 2 329.488 2.422 10 0 EEAELP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC000617013281 469571349 /nfs/dbraw/zinc/57/13/49/469571349.db2.gz PXKDRMDIJZOBGI-QAPCUYQASA-N 2 2 329.488 2.422 10 0 EEAELP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCc2ccccc2C1 ZINC000617013281 469571354 /nfs/dbraw/zinc/57/13/54/469571354.db2.gz PXKDRMDIJZOBGI-QAPCUYQASA-N 2 2 329.488 2.422 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583488 469584277 /nfs/dbraw/zinc/58/42/77/469584277.db2.gz AUOZAYPGWHCCRQ-IONDEXAJSA-N 2 2 327.472 2.284 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583488 469584280 /nfs/dbraw/zinc/58/42/80/469584280.db2.gz AUOZAYPGWHCCRQ-IONDEXAJSA-N 2 2 327.472 2.284 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000629605044 469590588 /nfs/dbraw/zinc/59/05/88/469590588.db2.gz YMCFLSZKOGKWPG-RBUKOAKNSA-N 2 2 346.471 2.235 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000629605044 469590591 /nfs/dbraw/zinc/59/05/91/469590591.db2.gz YMCFLSZKOGKWPG-RBUKOAKNSA-N 2 2 346.471 2.235 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccccc2)ns1 ZINC000617766262 469797669 /nfs/dbraw/zinc/79/76/69/469797669.db2.gz DEYFHWMPLBJCEC-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccccc2)ns1 ZINC000617766262 469797672 /nfs/dbraw/zinc/79/76/72/469797672.db2.gz DEYFHWMPLBJCEC-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP Cc1ccc2[nH]c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2c1C ZINC000617766559 469797985 /nfs/dbraw/zinc/79/79/85/469797985.db2.gz PJAJWRQAYHSLOK-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP Cc1ccc2[nH]c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2c1C ZINC000617766559 469797987 /nfs/dbraw/zinc/79/79/87/469797987.db2.gz PJAJWRQAYHSLOK-UHFFFAOYSA-N 2 2 330.476 2.398 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[NH2+]1 ZINC000627201959 469842807 /nfs/dbraw/zinc/84/28/07/469842807.db2.gz FCJHRIRQNMWIFC-GDBMZVCRSA-N 2 2 345.491 2.249 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C(F)F)C2CCCCC2)CC1 ZINC000621405462 470043561 /nfs/dbraw/zinc/04/35/61/470043561.db2.gz URUYDOPPYVFOBR-ZFWWWQNUSA-N 2 2 331.451 2.343 10 0 EEAELP C[NH+](C)CCCOc1ccc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1 ZINC000621855747 470115612 /nfs/dbraw/zinc/11/56/12/470115612.db2.gz TXMOSBQGOKMLAQ-UHFFFAOYSA-N 2 2 344.459 2.334 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC000625523092 470160086 /nfs/dbraw/zinc/16/00/86/470160086.db2.gz XYRATGUASBBFLM-BHYGNILZSA-N 2 2 333.501 2.136 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3ccsc3)C2)CC1 ZINC000625523092 470160088 /nfs/dbraw/zinc/16/00/88/470160088.db2.gz XYRATGUASBBFLM-BHYGNILZSA-N 2 2 333.501 2.136 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631844057 470187467 /nfs/dbraw/zinc/18/74/67/470187467.db2.gz UWXCGPGWAAQXBA-IDHHARJASA-N 2 2 343.496 2.480 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631844057 470187468 /nfs/dbraw/zinc/18/74/68/470187468.db2.gz UWXCGPGWAAQXBA-IDHHARJASA-N 2 2 343.496 2.480 10 0 EEAELP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCc2sccc2C1 ZINC000631885896 470189271 /nfs/dbraw/zinc/18/92/71/470189271.db2.gz CKIVUEIJODTHHE-HOCLYGCPSA-N 2 2 333.501 2.097 10 0 EEAELP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)N1CCc2sccc2C1 ZINC000631885896 470189272 /nfs/dbraw/zinc/18/92/72/470189272.db2.gz CKIVUEIJODTHHE-HOCLYGCPSA-N 2 2 333.501 2.097 10 0 EEAELP [NH3+]C1(Cc2nc([C@@H]3CCC[NH2+]3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634557551 470266298 /nfs/dbraw/zinc/26/62/98/470266298.db2.gz ZUARWKCQHPTSRA-INIZCTEOSA-N 3 2 341.459 2.030 10 0 EEAELP c1nn(-c2ccccc2)c2nc[nH+]c(N3CCC[C@@H]4C[NH2+]CC[C@@H]43)c12 ZINC000634812461 470324158 /nfs/dbraw/zinc/32/41/58/470324158.db2.gz ITXTYECZRMMNHT-PBHICJAKSA-N 2 2 334.427 2.394 10 0 EEAELP COC[C@@H](C)C[NH2+]C1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000648751309 470334693 /nfs/dbraw/zinc/33/46/93/470334693.db2.gz XTOVCEBOMSUOHW-HNNXBMFYSA-N 2 2 333.476 2.482 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000635254918 470501432 /nfs/dbraw/zinc/50/14/32/470501432.db2.gz LEVOPUIDQOYCSM-MRVWCRGKSA-N 2 2 330.457 2.138 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+]1CCc2sccc2C1 ZINC000635254918 470501436 /nfs/dbraw/zinc/50/14/36/470501436.db2.gz LEVOPUIDQOYCSM-MRVWCRGKSA-N 2 2 330.457 2.138 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000635254918 470501441 /nfs/dbraw/zinc/50/14/41/470501441.db2.gz LEVOPUIDQOYCSM-MRVWCRGKSA-N 2 2 330.457 2.138 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000635254918 470501447 /nfs/dbraw/zinc/50/14/47/470501447.db2.gz LEVOPUIDQOYCSM-MRVWCRGKSA-N 2 2 330.457 2.138 10 0 EEAELP [NH3+][C@@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1cccc(Cl)c1 ZINC000649320699 470544300 /nfs/dbraw/zinc/54/43/00/470544300.db2.gz XPECGHPDKWIMFW-GFCCVEGCSA-N 2 2 346.740 2.415 10 0 EEAELP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635446611 470591352 /nfs/dbraw/zinc/59/13/52/470591352.db2.gz LBOOJSJFJAZMOB-HZPDHXFCSA-N 2 2 330.407 2.243 10 0 EEAELP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635446611 470591356 /nfs/dbraw/zinc/59/13/56/470591356.db2.gz LBOOJSJFJAZMOB-HZPDHXFCSA-N 2 2 330.407 2.243 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](O)CC34CCC4)c2cc1C ZINC000643255938 470641604 /nfs/dbraw/zinc/64/16/04/470641604.db2.gz ZRRZQNNDGGFRRW-IAGOWNOFSA-N 2 2 343.471 2.393 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](O)CC34CCC4)c2cc1C ZINC000643255938 470641608 /nfs/dbraw/zinc/64/16/08/470641608.db2.gz ZRRZQNNDGGFRRW-IAGOWNOFSA-N 2 2 343.471 2.393 10 0 EEAELP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000635846756 470780244 /nfs/dbraw/zinc/78/02/44/470780244.db2.gz JFTOQRGCHKAEEF-IAGOWNOFSA-N 2 2 342.443 2.112 10 0 EEAELP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000635846756 470780247 /nfs/dbraw/zinc/78/02/47/470780247.db2.gz JFTOQRGCHKAEEF-IAGOWNOFSA-N 2 2 342.443 2.112 10 0 EEAELP COCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000650832838 470980611 /nfs/dbraw/zinc/98/06/11/470980611.db2.gz WUVSLOYIKRCRQK-UHFFFAOYSA-N 2 2 342.443 2.055 10 0 EEAELP COCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000650832838 470980614 /nfs/dbraw/zinc/98/06/14/470980614.db2.gz WUVSLOYIKRCRQK-UHFFFAOYSA-N 2 2 342.443 2.055 10 0 EEAELP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)CS2 ZINC000647801529 470988704 /nfs/dbraw/zinc/98/87/04/470988704.db2.gz XFZJYWBSBRZWON-HFTRVMKXSA-N 2 2 334.485 2.286 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000651146235 471068085 /nfs/dbraw/zinc/06/80/85/471068085.db2.gz PALDCYAIKZMJKO-KRWDZBQOSA-N 2 2 344.434 2.320 10 0 EEAELP c1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)sn1 ZINC000638440480 471096491 /nfs/dbraw/zinc/09/64/91/471096491.db2.gz WTRIOICPLMUMSQ-UHFFFAOYSA-N 2 2 333.457 2.144 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4n(n3)CCC4)c2)CCO1 ZINC000657328832 471101604 /nfs/dbraw/zinc/10/16/04/471101604.db2.gz FHQYBKHVTJMEOV-MRXNPFEDSA-N 2 2 340.471 2.340 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4n(n3)CCC4)c2)CCO1 ZINC000657328832 471101609 /nfs/dbraw/zinc/10/16/09/471101609.db2.gz FHQYBKHVTJMEOV-MRXNPFEDSA-N 2 2 340.471 2.340 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000648152516 471103364 /nfs/dbraw/zinc/10/33/64/471103364.db2.gz WIGUQPMXYNTJDE-ZDUSSCGKSA-N 2 2 331.391 2.396 10 0 EEAELP COCCC[NH+]1CCC([NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657343166 471105746 /nfs/dbraw/zinc/10/57/46/471105746.db2.gz KLZIQUBJSPJPKL-UHFFFAOYSA-N 2 2 334.386 2.029 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2nc(-c3ccc(CC)cc3)no2)C[C@H]1C[NH3+] ZINC000652357943 471278234 /nfs/dbraw/zinc/27/82/34/471278234.db2.gz PTYDDYVMEYUXEN-HZPDHXFCSA-N 2 2 330.432 2.095 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2nc(-c3ccc(CC)cc3)no2)C[C@H]1C[NH3+] ZINC000652357943 471278237 /nfs/dbraw/zinc/27/82/37/471278237.db2.gz PTYDDYVMEYUXEN-HZPDHXFCSA-N 2 2 330.432 2.095 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000666333826 471361298 /nfs/dbraw/zinc/36/12/98/471361298.db2.gz QJQHJYAZTJDJJF-MAUKXSAKSA-N 2 2 332.492 2.387 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000666333826 471361304 /nfs/dbraw/zinc/36/13/04/471361304.db2.gz QJQHJYAZTJDJJF-MAUKXSAKSA-N 2 2 332.492 2.387 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1F ZINC000655714801 471452486 /nfs/dbraw/zinc/45/24/86/471452486.db2.gz DAEPSFRZIFERAS-SFHVURJKSA-N 3 2 335.467 2.230 10 0 EEAELP O=C([C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1)N1CCCCC1 ZINC000655763294 471474043 /nfs/dbraw/zinc/47/40/43/471474043.db2.gz MKQWXBKXXFLVTA-NEWSRXKRSA-N 2 2 349.519 2.011 10 0 EEAELP Cc1cccc2c1CC[C@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664007519 471606819 /nfs/dbraw/zinc/60/68/19/471606819.db2.gz PLLIZSCAKAZNMJ-GOSISDBHSA-N 2 2 332.492 2.165 10 0 EEAELP Cc1cccc2c1CC[C@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664007519 471606822 /nfs/dbraw/zinc/60/68/22/471606822.db2.gz PLLIZSCAKAZNMJ-GOSISDBHSA-N 2 2 332.492 2.165 10 0 EEAELP Cc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)c2c([nH+]1)CCCC2 ZINC000664010617 471607910 /nfs/dbraw/zinc/60/79/10/471607910.db2.gz FPLHOEFITOPORT-UHFFFAOYSA-N 2 2 330.476 2.355 10 0 EEAELP Cc1nc(N2CCC([N@H+]3CCCOCC3)CC2)c2c([nH+]1)CCCC2 ZINC000664010617 471607914 /nfs/dbraw/zinc/60/79/14/471607914.db2.gz FPLHOEFITOPORT-UHFFFAOYSA-N 2 2 330.476 2.355 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NC1CC(C)(c2ccccc2)C1 ZINC000664017358 471610995 /nfs/dbraw/zinc/61/09/95/471610995.db2.gz YBJYCVYUFCATTD-UHFFFAOYSA-N 2 2 346.519 2.289 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NC1CC(C)(c2ccccc2)C1 ZINC000664017358 471610999 /nfs/dbraw/zinc/61/09/99/471610999.db2.gz YBJYCVYUFCATTD-UHFFFAOYSA-N 2 2 346.519 2.289 10 0 EEAELP Cc1cc(C)c(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)[nH+]1 ZINC000667119007 471661132 /nfs/dbraw/zinc/66/11/32/471661132.db2.gz FTJVGABQKHJRCV-MRXNPFEDSA-N 2 2 332.448 2.070 10 0 EEAELP Cc1cc(C)c(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C)[nH+]1 ZINC000667119007 471661137 /nfs/dbraw/zinc/66/11/37/471661137.db2.gz FTJVGABQKHJRCV-MRXNPFEDSA-N 2 2 332.448 2.070 10 0 EEAELP Cc1cc(C)c(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)[nH+]1 ZINC000667119006 471661232 /nfs/dbraw/zinc/66/12/32/471661232.db2.gz FTJVGABQKHJRCV-INIZCTEOSA-N 2 2 332.448 2.070 10 0 EEAELP Cc1cc(C)c(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C)[nH+]1 ZINC000667119006 471661236 /nfs/dbraw/zinc/66/12/36/471661236.db2.gz FTJVGABQKHJRCV-INIZCTEOSA-N 2 2 332.448 2.070 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000670081868 471673370 /nfs/dbraw/zinc/67/33/70/471673370.db2.gz ZJHNRDSHNFDMJU-SJLPKXTDSA-N 2 2 339.443 2.136 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000670081868 471673372 /nfs/dbraw/zinc/67/33/72/471673372.db2.gz ZJHNRDSHNFDMJU-SJLPKXTDSA-N 2 2 339.443 2.136 10 0 EEAELP C[C@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667249056 471709369 /nfs/dbraw/zinc/70/93/69/471709369.db2.gz LWESXDLFLVVWDC-AWEZNQCLSA-N 2 2 327.432 2.007 10 0 EEAELP C[C@H](NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667249056 471709372 /nfs/dbraw/zinc/70/93/72/471709372.db2.gz LWESXDLFLVVWDC-AWEZNQCLSA-N 2 2 327.432 2.007 10 0 EEAELP Oc1ccc(N2CC[NH+](Cc3ccnn3-c3cc[nH+]cc3)CC2)cc1 ZINC000667471723 471790233 /nfs/dbraw/zinc/79/02/33/471790233.db2.gz JKTZQMGVQSMGDI-UHFFFAOYSA-N 2 2 335.411 2.295 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(F)s3)CC2)CC1 ZINC000667641701 471854180 /nfs/dbraw/zinc/85/41/80/471854180.db2.gz AGQZSBAMQTVKOO-UHFFFAOYSA-N 2 2 325.453 2.176 10 0 EEAELP Cc1cccn2c(NC(=O)NC[C@H]3C[N@H+](CC(C)C)CCO3)c[nH+]c12 ZINC000667947956 471959145 /nfs/dbraw/zinc/95/91/45/471959145.db2.gz IRZQUDBERDBHFM-HNNXBMFYSA-N 2 2 345.447 2.121 10 0 EEAELP Cc1cccn2c(NC(=O)NC[C@H]3C[N@@H+](CC(C)C)CCO3)c[nH+]c12 ZINC000667947956 471959151 /nfs/dbraw/zinc/95/91/51/471959151.db2.gz IRZQUDBERDBHFM-HNNXBMFYSA-N 2 2 345.447 2.121 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1[nH+]ccn1C ZINC000662095249 471982979 /nfs/dbraw/zinc/98/29/79/471982979.db2.gz NOCDALJGKMKSCL-HWOWSKLDSA-N 2 2 333.480 2.387 10 0 EEAELP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000665274863 471987165 /nfs/dbraw/zinc/98/71/65/471987165.db2.gz ZSMSJJZCONMZJQ-IJXRJRJASA-N 2 2 343.515 2.178 10 0 EEAELP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000662426796 472105284 /nfs/dbraw/zinc/10/52/84/472105284.db2.gz CXWQZNCOJRPHJG-AWEZNQCLSA-N 2 2 329.404 2.232 10 0 EEAELP c1[nH+]cc(NC2CC[NH+](CCN3CCOCC3)CC2)c2c1CCCC2 ZINC000668441701 472128770 /nfs/dbraw/zinc/12/87/70/472128770.db2.gz VQNRDVUWNMXXAR-UHFFFAOYSA-N 2 2 344.503 2.169 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662508572 472133902 /nfs/dbraw/zinc/13/39/02/472133902.db2.gz WJIXWCZACSLYOQ-ZBFHGGJFSA-N 2 2 327.831 2.339 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662508572 472133906 /nfs/dbraw/zinc/13/39/06/472133906.db2.gz WJIXWCZACSLYOQ-ZBFHGGJFSA-N 2 2 327.831 2.339 10 0 EEAELP [NH3+]C1(CC(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CC1 ZINC000662713249 472218362 /nfs/dbraw/zinc/21/83/62/472218362.db2.gz YILCTWIKBIONTR-UHFFFAOYSA-N 2 2 338.415 2.143 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662792892 472253240 /nfs/dbraw/zinc/25/32/40/472253240.db2.gz YJIDSXLVIKVZKH-YOEHRIQHSA-N 2 2 333.451 2.419 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662799236 472257969 /nfs/dbraw/zinc/25/79/69/472257969.db2.gz VMONDSGIUDQKCQ-JDOCFBBISA-N 2 2 341.377 2.093 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662799236 472257974 /nfs/dbraw/zinc/25/79/74/472257974.db2.gz VMONDSGIUDQKCQ-JDOCFBBISA-N 2 2 341.377 2.093 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000668793085 472270979 /nfs/dbraw/zinc/27/09/79/472270979.db2.gz DEGFGIFDWAGLMH-IBGZPJMESA-N 2 2 341.459 2.130 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055366 485551424 /nfs/dbraw/zinc/55/14/24/485551424.db2.gz JRWADNZNJXGEJI-IMBTUZDBSA-N 2 2 347.503 2.293 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055366 485551430 /nfs/dbraw/zinc/55/14/30/485551430.db2.gz JRWADNZNJXGEJI-IMBTUZDBSA-N 2 2 347.503 2.293 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055366 485551433 /nfs/dbraw/zinc/55/14/33/485551433.db2.gz JRWADNZNJXGEJI-IMBTUZDBSA-N 2 2 347.503 2.293 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055366 485551438 /nfs/dbraw/zinc/55/14/38/485551438.db2.gz JRWADNZNJXGEJI-IMBTUZDBSA-N 2 2 347.503 2.293 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042441 485572055 /nfs/dbraw/zinc/57/20/55/485572055.db2.gz BNGOKTZMYITGOK-YZGWKJHDSA-N 2 2 331.504 2.086 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000679042441 485572058 /nfs/dbraw/zinc/57/20/58/485572058.db2.gz BNGOKTZMYITGOK-YZGWKJHDSA-N 2 2 331.504 2.086 10 0 EEAELP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631423260 485798387 /nfs/dbraw/zinc/79/83/87/485798387.db2.gz QJOGGJNYJCLJAB-SFHVURJKSA-N 2 2 326.444 2.213 10 0 EEAELP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631423260 485798391 /nfs/dbraw/zinc/79/83/91/485798391.db2.gz QJOGGJNYJCLJAB-SFHVURJKSA-N 2 2 326.444 2.213 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000675767981 486064922 /nfs/dbraw/zinc/06/49/22/486064922.db2.gz VEJRPNBMZDMLHL-XJKSGUPXSA-N 2 2 325.478 2.193 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000675767981 486064926 /nfs/dbraw/zinc/06/49/26/486064926.db2.gz VEJRPNBMZDMLHL-XJKSGUPXSA-N 2 2 325.478 2.193 10 0 EEAELP CCc1cc(C)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000676053898 486128245 /nfs/dbraw/zinc/12/82/45/486128245.db2.gz AYPSUEVESUYSKB-INIZCTEOSA-N 2 2 333.476 2.391 10 0 EEAELP CCc1cc(C)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000676053898 486128249 /nfs/dbraw/zinc/12/82/49/486128249.db2.gz AYPSUEVESUYSKB-INIZCTEOSA-N 2 2 333.476 2.391 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+][C@@H](C)C3CC[NH+](C)CC3)c2cc1C ZINC000678586477 486646049 /nfs/dbraw/zinc/64/60/49/486646049.db2.gz HJFAZQVUQVUTSE-WMZOPIPTSA-N 3 2 344.503 2.334 10 0 EEAELP C[NH+]1CCC(CNC(=O)C2(F)CCCC2)([NH+]2CCCCC2)CC1 ZINC000772106339 577251714 /nfs/dbraw/zinc/25/17/14/577251714.db2.gz QCGKAJHCUXZKQU-UHFFFAOYSA-N 2 2 325.472 2.335 10 0 EEAELP COC(=O)c1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[nH]1 ZINC000895110156 683935868 /nfs/dbraw/zinc/93/58/68/683935868.db2.gz BSEXUQHHIHSELX-CTYIDZIISA-N 2 2 328.416 2.473 10 0 EEAELP Brc1ccc(/C=C/CC[NH2+][C@H]2C[NH2+]CCOC2)cc1 ZINC000925723671 687403621 /nfs/dbraw/zinc/40/36/21/687403621.db2.gz SZFFEJLTKJENJI-KZTTYJGESA-N 2 2 325.250 2.430 10 0 EEAELP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001485509825 1191820090 /nfs/dbraw/zinc/82/00/90/1191820090.db2.gz CYYHRVUWGOKAPB-XETQRACLSA-N 2 2 330.476 2.238 10 0 EEAELP Cc1nc(C[NH+]2CC([C@H](C)NC(=O)CC[NH+]3CCCCC3)C2)c(C)o1 ZINC001485540796 1191828702 /nfs/dbraw/zinc/82/87/02/1191828702.db2.gz UQGLQSLDDRVRQZ-AWEZNQCLSA-N 2 2 348.491 2.104 10 0 EEAELP CCOCC[N@@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485568995 1191838330 /nfs/dbraw/zinc/83/83/30/1191838330.db2.gz DLAIVLSNBMDGJE-INIZCTEOSA-N 2 2 330.432 2.040 10 0 EEAELP CCOCC[N@H+]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C(C)(C)C1 ZINC001485568995 1191838331 /nfs/dbraw/zinc/83/83/31/1191838331.db2.gz DLAIVLSNBMDGJE-INIZCTEOSA-N 2 2 330.432 2.040 10 0 EEAELP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266754704 1177357178 /nfs/dbraw/zinc/35/71/78/1177357178.db2.gz GSDQWOZZKDMARK-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP CCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001266754704 1177357185 /nfs/dbraw/zinc/35/71/85/1177357185.db2.gz GSDQWOZZKDMARK-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691058504 1177478274 /nfs/dbraw/zinc/47/82/74/1177478274.db2.gz MLJVHKFWGUMFOP-BZUAXINKSA-N 2 2 336.455 2.196 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CCCCCF)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001691058504 1177478277 /nfs/dbraw/zinc/47/82/77/1177478277.db2.gz MLJVHKFWGUMFOP-BZUAXINKSA-N 2 2 336.455 2.196 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001267041105 1178136858 /nfs/dbraw/zinc/13/68/58/1178136858.db2.gz LKJMJJPUJGBPEQ-INIZCTEOSA-N 2 2 330.476 2.000 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001267385671 1178945394 /nfs/dbraw/zinc/94/53/94/1178945394.db2.gz CIUGKTKQRXMEPL-HZPDHXFCSA-N 2 2 330.407 2.209 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001267385671 1178945397 /nfs/dbraw/zinc/94/53/97/1178945397.db2.gz CIUGKTKQRXMEPL-HZPDHXFCSA-N 2 2 330.407 2.209 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cc1C ZINC001267396307 1178966372 /nfs/dbraw/zinc/96/63/72/1178966372.db2.gz RZUHIYRYCGFRNC-SFHVURJKSA-N 2 2 340.471 2.311 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001267434046 1179001551 /nfs/dbraw/zinc/00/15/51/1179001551.db2.gz QTQCWVUUBCWVDC-OAHLLOKOSA-N 2 2 329.448 2.094 10 0 EEAELP CN(CC[NH2+]CCc1ccc2ccccc2c1)C(=O)Cc1[nH]cc[nH+]1 ZINC001267446523 1179021472 /nfs/dbraw/zinc/02/14/72/1179021472.db2.gz ULUNGOXTRBTQME-UHFFFAOYSA-N 2 2 336.439 2.396 10 0 EEAELP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001481125456 1179837515 /nfs/dbraw/zinc/83/75/15/1179837515.db2.gz FIZIGIFGYYTQSX-IAGOWNOFSA-N 2 2 326.444 2.391 10 0 EEAELP Cc1cccc([C@@H](C)[N@H+]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001481125456 1179837520 /nfs/dbraw/zinc/83/75/20/1179837520.db2.gz FIZIGIFGYYTQSX-IAGOWNOFSA-N 2 2 326.444 2.391 10 0 EEAELP CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)Cc1coc(C)n1 ZINC001481139465 1179901805 /nfs/dbraw/zinc/90/18/05/1179901805.db2.gz JXAXGLGSENAUCD-UHFFFAOYSA-N 2 2 348.491 2.187 10 0 EEAELP CCC[N@@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)Cc1coc(C)n1 ZINC001481139465 1179901808 /nfs/dbraw/zinc/90/18/08/1179901808.db2.gz JXAXGLGSENAUCD-UHFFFAOYSA-N 2 2 348.491 2.187 10 0 EEAELP O=C(NC1(C[NH2+]CCC2CC2)CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267839212 1180613588 /nfs/dbraw/zinc/61/35/88/1180613588.db2.gz KGFCDLJXENCZPK-MRXNPFEDSA-N 2 2 330.476 2.264 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001267937943 1180791735 /nfs/dbraw/zinc/79/17/35/1180791735.db2.gz DLHITUBTMCVHDI-KRWDZBQOSA-N 2 2 326.444 2.262 10 0 EEAELP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](Cc2csc(Cl)n2)C1 ZINC001481447758 1181373823 /nfs/dbraw/zinc/37/38/23/1181373823.db2.gz TUIYFGAHIOCNRV-GFCCVEGCSA-N 2 2 344.912 2.076 10 0 EEAELP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](Cc2csc(Cl)n2)C1 ZINC001481447758 1181373832 /nfs/dbraw/zinc/37/38/32/1181373832.db2.gz TUIYFGAHIOCNRV-GFCCVEGCSA-N 2 2 344.912 2.076 10 0 EEAELP Cc1csc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)n1 ZINC001268159989 1181870201 /nfs/dbraw/zinc/87/02/01/1181870201.db2.gz FUXOQIQGFCWEFI-HNNXBMFYSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1nn(C)cc1C[NH2+]CC[C@@H](C)NC(=O)c1c(C)cc(C)[nH+]c1C ZINC001268389083 1182440450 /nfs/dbraw/zinc/44/04/50/1182440450.db2.gz ZAKANPJVAVKNRB-CYBMUJFWSA-N 2 2 343.475 2.347 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CCc1c[nH+]cn1C ZINC001268422168 1182587996 /nfs/dbraw/zinc/58/79/96/1182587996.db2.gz YJZPZEMHOJEGRX-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCO[C@H](C)C1)C(=O)c1cccc2[nH+]ccn21 ZINC001268464147 1182773553 /nfs/dbraw/zinc/77/35/53/1182773553.db2.gz AQYYMMAZHHSWEC-HZPDHXFCSA-N 2 2 344.459 2.201 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001481861005 1182826695 /nfs/dbraw/zinc/82/66/95/1182826695.db2.gz HCCRZBNQXYAMHG-CRAIPNDOSA-N 2 2 340.471 2.242 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1Cl)C(=O)Cc1c[nH+]cn1C ZINC001268491078 1182986893 /nfs/dbraw/zinc/98/68/93/1182986893.db2.gz KTTQDABJCHCMHH-UHFFFAOYSA-N 2 2 334.851 2.254 10 0 EEAELP Cc1nc(C[NH2+]C[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C2CC2)co1 ZINC001481943740 1183006264 /nfs/dbraw/zinc/00/62/64/1183006264.db2.gz KOJBWVAPHGGWHY-ACJLOTCBSA-N 2 2 345.447 2.205 10 0 EEAELP C[C@@H]1CCCC[C@]1(C[NH2+]CCC1CC1)NC(=O)Cc1c[nH+]cn1C ZINC001481960989 1183043291 /nfs/dbraw/zinc/04/32/91/1183043291.db2.gz KFQPASXEGMUCQP-DNVCBOLYSA-N 2 2 332.492 2.417 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]Cc1ccsc1 ZINC001268591721 1183393851 /nfs/dbraw/zinc/39/38/51/1183393851.db2.gz BKPKDTNMTJDWRV-SWVJOTTGSA-N 2 2 330.457 2.047 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001268620436 1183537851 /nfs/dbraw/zinc/53/78/51/1183537851.db2.gz WXIHIVQXPCPKRE-DLGQBQFBSA-N 2 2 345.274 2.107 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]Cc1coc(C2CC2)n1 ZINC001268627269 1183549944 /nfs/dbraw/zinc/54/99/44/1183549944.db2.gz GUHKAPDPVGWIDP-LPUOJRKPSA-N 2 2 346.475 2.187 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268731708 1183650227 /nfs/dbraw/zinc/65/02/27/1183650227.db2.gz ACWAYOCMVIZLJS-CQSZACIVSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268731708 1183650230 /nfs/dbraw/zinc/65/02/30/1183650230.db2.gz ACWAYOCMVIZLJS-CQSZACIVSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268731708 1183650233 /nfs/dbraw/zinc/65/02/33/1183650233.db2.gz ACWAYOCMVIZLJS-CQSZACIVSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc2cc[nH]c2c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268731708 1183650235 /nfs/dbraw/zinc/65/02/35/1183650235.db2.gz ACWAYOCMVIZLJS-CQSZACIVSA-N 2 2 339.443 2.460 10 0 EEAELP Cc1ccncc1C[NH2+]CCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001268864315 1183773826 /nfs/dbraw/zinc/77/38/26/1183773826.db2.gz FSOPODSOBLMZJD-INIZCTEOSA-N 2 2 329.448 2.176 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001269292511 1184145504 /nfs/dbraw/zinc/14/55/04/1184145504.db2.gz NQBBOMWFTAUJRQ-GOSISDBHSA-N 2 2 330.476 2.386 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001269292511 1184145505 /nfs/dbraw/zinc/14/55/05/1184145505.db2.gz NQBBOMWFTAUJRQ-GOSISDBHSA-N 2 2 330.476 2.386 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC[C@@H](CC[NH2+]C/C=C\Cl)C1 ZINC001269752312 1184590615 /nfs/dbraw/zinc/59/06/15/1184590615.db2.gz WAKSRUNVADVCBR-VOGXCRAGSA-N 2 2 338.883 2.324 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CCCc1ccccc1 ZINC001270137103 1184876416 /nfs/dbraw/zinc/87/64/16/1184876416.db2.gz USKNZSFPNANAMW-SFHVURJKSA-N 2 2 326.444 2.166 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]CCC(F)(F)F)c[nH+]1 ZINC001270436657 1185098576 /nfs/dbraw/zinc/09/85/76/1185098576.db2.gz QGEBDFXJYATLIZ-NSHDSACASA-N 2 2 334.386 2.221 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482295798 1185162109 /nfs/dbraw/zinc/16/21/09/1185162109.db2.gz FMBKLYOSJYBVCD-IUIKQTSFSA-N 2 2 348.397 2.428 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482295798 1185162112 /nfs/dbraw/zinc/16/21/12/1185162112.db2.gz FMBKLYOSJYBVCD-IUIKQTSFSA-N 2 2 348.397 2.428 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(C(C)C)n1 ZINC001482358112 1185503070 /nfs/dbraw/zinc/50/30/70/1185503070.db2.gz GNUIOHBPXSXBMC-CQSZACIVSA-N 2 2 343.475 2.416 10 0 EEAELP C[C@@H](C[NH2+]Cc1cncc(F)c1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001271012195 1185813060 /nfs/dbraw/zinc/81/30/60/1185813060.db2.gz COQOPQCYKSJHGT-LBPRGKRZSA-N 2 2 341.390 2.347 10 0 EEAELP Cc1csc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)n1 ZINC001482458960 1185912553 /nfs/dbraw/zinc/91/25/53/1185912553.db2.gz QKOGCIRLAXWIKK-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482844884 1187763666 /nfs/dbraw/zinc/76/36/66/1187763666.db2.gz HVHNXXYFUCDSBX-AJGRILASSA-N 2 2 345.274 2.249 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001483039226 1188084816 /nfs/dbraw/zinc/08/48/16/1188084816.db2.gz ZYYWTHUYKWCSQT-WHDHWZCOSA-N 2 2 330.476 2.051 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001483151666 1188881384 /nfs/dbraw/zinc/88/13/84/1188881384.db2.gz QNDVFBGRGGGKOH-CYBMUJFWSA-N 2 2 347.463 2.067 10 0 EEAELP Cc1ccccc1C[N@H+]1CCOC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001272901196 1193597174 /nfs/dbraw/zinc/59/71/74/1193597174.db2.gz DRHYEGQUOAZAIS-IBGZPJMESA-N 2 2 347.503 2.044 10 0 EEAELP Cc1ccccc1C[N@@H+]1CCOC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001272901196 1193597175 /nfs/dbraw/zinc/59/71/75/1193597175.db2.gz DRHYEGQUOAZAIS-IBGZPJMESA-N 2 2 347.503 2.044 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001483241786 1190271990 /nfs/dbraw/zinc/27/19/90/1190271990.db2.gz MLVNKGZGDYTIJR-WMZOPIPTSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)c1cccc2[nH+]ccn21 ZINC001483248415 1190276173 /nfs/dbraw/zinc/27/61/73/1190276173.db2.gz YZOZQRZUWWSCCP-QWHCGFSZSA-N 2 2 336.386 2.478 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C)no1 ZINC001483339102 1190370105 /nfs/dbraw/zinc/37/01/05/1190370105.db2.gz CMCBJFQCOXWSDY-LSDHHAIUSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)no1 ZINC001483339102 1190370113 /nfs/dbraw/zinc/37/01/13/1190370113.db2.gz CMCBJFQCOXWSDY-LSDHHAIUSA-N 2 2 347.463 2.330 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C(C)C)n1 ZINC001483344645 1190379309 /nfs/dbraw/zinc/37/93/09/1190379309.db2.gz GGVSZXGVJZJBBF-WMZOPIPTSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccn(C(C)C)n1 ZINC001483344645 1190379311 /nfs/dbraw/zinc/37/93/11/1190379311.db2.gz GGVSZXGVJZJBBF-WMZOPIPTSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC001483344645 1190379316 /nfs/dbraw/zinc/37/93/16/1190379316.db2.gz GGVSZXGVJZJBBF-WMZOPIPTSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001483344645 1190379320 /nfs/dbraw/zinc/37/93/20/1190379320.db2.gz GGVSZXGVJZJBBF-WMZOPIPTSA-N 2 2 349.523 2.275 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1CCCCC1CCOCC1 ZINC001483697350 1190772090 /nfs/dbraw/zinc/77/20/90/1190772090.db2.gz QXGDXCBMTGVPKK-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1CCCCC1CCOCC1 ZINC001483697350 1190772093 /nfs/dbraw/zinc/77/20/93/1190772093.db2.gz QXGDXCBMTGVPKK-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1cncs1 ZINC001483705452 1190784361 /nfs/dbraw/zinc/78/43/61/1190784361.db2.gz HKCYSEGWPQKMSO-HNNXBMFYSA-N 2 2 336.505 2.100 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1cncs1 ZINC001483705452 1190784362 /nfs/dbraw/zinc/78/43/62/1190784362.db2.gz HKCYSEGWPQKMSO-HNNXBMFYSA-N 2 2 336.505 2.100 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1cccnc1)[NH+]1CCCCC1 ZINC001483709838 1190790986 /nfs/dbraw/zinc/79/09/86/1190790986.db2.gz ORHSZVYROCOQRH-MOPGFXCFSA-N 2 2 344.503 2.283 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1Cc1cccnc1)[NH+]1CCCCC1 ZINC001483709838 1190790987 /nfs/dbraw/zinc/79/09/87/1190790987.db2.gz ORHSZVYROCOQRH-MOPGFXCFSA-N 2 2 344.503 2.283 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001272624053 1190936159 /nfs/dbraw/zinc/93/61/59/1190936159.db2.gz FUYLGZXUIJLPKC-SFHVURJKSA-N 2 2 340.471 2.381 10 0 EEAELP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC001483785074 1191026866 /nfs/dbraw/zinc/02/68/66/1191026866.db2.gz XPIIDYLEHRCDPE-OAHLLOKOSA-N 2 2 326.444 2.271 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)c(C)o1 ZINC001483811590 1191056209 /nfs/dbraw/zinc/05/62/09/1191056209.db2.gz SMVUNKAMSSFCPY-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)c(C)o1 ZINC001483811590 1191056211 /nfs/dbraw/zinc/05/62/11/1191056211.db2.gz SMVUNKAMSSFCPY-SJORKVTESA-N 2 2 348.491 2.199 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]2(CC[N@@H+](CCOC(C)C)C2)C1 ZINC001484830498 1191538116 /nfs/dbraw/zinc/53/81/16/1191538116.db2.gz OKIAZKWBMNFMTG-LJQANCHMSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@]2(CC[N@H+](CCOC(C)C)C2)C1 ZINC001484830498 1191538118 /nfs/dbraw/zinc/53/81/18/1191538118.db2.gz OKIAZKWBMNFMTG-LJQANCHMSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C)sn1 ZINC001484909422 1191570775 /nfs/dbraw/zinc/57/07/75/1191570775.db2.gz MXZMVDSKSDQVFH-CJNGLKHVSA-N 2 2 347.488 2.065 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCOc1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001486417280 1193947358 /nfs/dbraw/zinc/94/73/58/1193947358.db2.gz UDERXLVQUPIIEU-INIZCTEOSA-N 2 2 344.459 2.152 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]CCC(F)(F)F)C1 ZINC001486476802 1193989927 /nfs/dbraw/zinc/98/99/27/1193989927.db2.gz OIUMGHHPEYXUDC-FIYWTHMPSA-N 2 2 344.381 2.055 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@H+](C[C@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC001486516456 1194022283 /nfs/dbraw/zinc/02/22/83/1194022283.db2.gz IGEOMKRHBPCGQT-FUHWJXTLSA-N 2 2 346.475 2.009 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@@H+](C[C@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC001486516456 1194022289 /nfs/dbraw/zinc/02/22/89/1194022289.db2.gz IGEOMKRHBPCGQT-FUHWJXTLSA-N 2 2 346.475 2.009 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)o1 ZINC001486520522 1194042195 /nfs/dbraw/zinc/04/21/95/1194042195.db2.gz DNLNVZXCGCBCCQ-UHFFFAOYSA-N 2 2 346.475 2.107 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)o1 ZINC001486520522 1194042199 /nfs/dbraw/zinc/04/21/99/1194042199.db2.gz DNLNVZXCGCBCCQ-UHFFFAOYSA-N 2 2 346.475 2.107 10 0 EEAELP CC[C@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000871360895 1197700491 /nfs/dbraw/zinc/70/04/91/1197700491.db2.gz MUUFCMVJMGISQT-DHADLLTHSA-N 2 2 339.524 2.255 10 0 EEAELP CC[C@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000871360895 1197700500 /nfs/dbraw/zinc/70/05/00/1197700500.db2.gz MUUFCMVJMGISQT-DHADLLTHSA-N 2 2 339.524 2.255 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H](C(=O)N1CCCCC1)c1ccccc1)C2 ZINC000872152381 1198059660 /nfs/dbraw/zinc/05/96/60/1198059660.db2.gz QIDYMLNNCBZZQQ-NLWGTHIKSA-N 2 2 327.472 2.282 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H](C(=O)N1CCCCC1)c1ccccc1)C2 ZINC000872152381 1198059666 /nfs/dbraw/zinc/05/96/66/1198059666.db2.gz QIDYMLNNCBZZQQ-NLWGTHIKSA-N 2 2 327.472 2.282 10 0 EEAELP C[C@H](C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1)Cn1cc[nH+]c1 ZINC000865434078 1198215196 /nfs/dbraw/zinc/21/51/96/1198215196.db2.gz VYQJHTVPYNQIBO-CYBMUJFWSA-N 2 2 346.435 2.446 10 0 EEAELP CCCNc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc[nH+]1 ZINC000865642232 1198312024 /nfs/dbraw/zinc/31/20/24/1198312024.db2.gz SWYBQSAXQSEQDL-SJPCQFCGSA-N 2 2 344.507 2.046 10 0 EEAELP CCCNc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc[nH+]1 ZINC000865642232 1198312032 /nfs/dbraw/zinc/31/20/32/1198312032.db2.gz SWYBQSAXQSEQDL-SJPCQFCGSA-N 2 2 344.507 2.046 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccsc2)C1 ZINC001410965540 1198644913 /nfs/dbraw/zinc/64/49/13/1198644913.db2.gz VGNFXGXTRQDJQV-GDBMZVCRSA-N 2 2 346.500 2.489 10 0 EEAELP Cc1c(Cl)cnn1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124771787 1198766055 /nfs/dbraw/zinc/76/60/55/1198766055.db2.gz WPXXSHMLHWSZFH-XYPWUTKMSA-N 2 2 337.899 2.045 10 0 EEAELP Cc1c(Cl)cnn1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000124771787 1198766061 /nfs/dbraw/zinc/76/60/61/1198766061.db2.gz WPXXSHMLHWSZFH-XYPWUTKMSA-N 2 2 337.899 2.045 10 0 EEAELP Cc1nocc1C[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001411223953 1198934732 /nfs/dbraw/zinc/93/47/32/1198934732.db2.gz XNUYIWHHUKBJQN-CZUORRHYSA-N 2 2 347.463 2.451 10 0 EEAELP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001411244359 1198964232 /nfs/dbraw/zinc/96/42/32/1198964232.db2.gz CDIIUDMUWBQONM-GRTSSRMGSA-N 2 2 347.488 2.378 10 0 EEAELP CN1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000810060829 1199219216 /nfs/dbraw/zinc/21/92/16/1199219216.db2.gz ZBRHYWIEGFGRNF-BZSNNMDCSA-N 2 2 337.895 2.132 10 0 EEAELP C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000810060829 1199219218 /nfs/dbraw/zinc/21/92/18/1199219218.db2.gz ZBRHYWIEGFGRNF-BZSNNMDCSA-N 2 2 337.895 2.132 10 0 EEAELP C[N@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000810060829 1199219220 /nfs/dbraw/zinc/21/92/20/1199219220.db2.gz ZBRHYWIEGFGRNF-BZSNNMDCSA-N 2 2 337.895 2.132 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH2+][C@H](c2ccc(O)cc2)C1 ZINC000870093880 1200462882 /nfs/dbraw/zinc/46/28/82/1200462882.db2.gz XPWLZLQUQZBMRN-YOEHRIQHSA-N 2 2 342.443 2.275 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC[NH2+]CC2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000870911440 1200948062 /nfs/dbraw/zinc/94/80/62/1200948062.db2.gz WWLMECJZMWVWDI-WMZOPIPTSA-N 2 2 337.414 2.216 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC[NH2+]CC2CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000870911440 1200948065 /nfs/dbraw/zinc/94/80/65/1200948065.db2.gz WWLMECJZMWVWDI-WMZOPIPTSA-N 2 2 337.414 2.216 10 0 EEAELP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000866395875 1201506895 /nfs/dbraw/zinc/50/68/95/1201506895.db2.gz HMBGYAMIBLNTNM-BVGQSLNGSA-N 2 2 333.451 2.379 10 0 EEAELP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000866395875 1201506897 /nfs/dbraw/zinc/50/68/97/1201506897.db2.gz HMBGYAMIBLNTNM-BVGQSLNGSA-N 2 2 333.451 2.379 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001274104725 1204374079 /nfs/dbraw/zinc/37/40/79/1204374079.db2.gz CJXKCFFBAUDVRR-MLMMWPPISA-N 2 2 342.418 2.423 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001275032305 1205239103 /nfs/dbraw/zinc/23/91/03/1205239103.db2.gz ZEPAEAMYKWQBKS-IBGZPJMESA-N 2 2 340.471 2.474 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275120902 1205262362 /nfs/dbraw/zinc/26/23/62/1205262362.db2.gz IEFIIXVYOLSDPV-SJORKVTESA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275120902 1205262364 /nfs/dbraw/zinc/26/23/64/1205262364.db2.gz IEFIIXVYOLSDPV-SJORKVTESA-N 2 2 330.476 2.335 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccnnc1 ZINC000925117174 1206071744 /nfs/dbraw/zinc/07/17/44/1206071744.db2.gz NTTZBEXOGLLFLP-KFKAGJAMSA-N 2 2 326.444 2.010 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccnnc1 ZINC000925117174 1206071746 /nfs/dbraw/zinc/07/17/46/1206071746.db2.gz NTTZBEXOGLLFLP-KFKAGJAMSA-N 2 2 326.444 2.010 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCCC3)ccc1OCCO ZINC000925613127 1206136097 /nfs/dbraw/zinc/13/60/97/1206136097.db2.gz QAIWHCFVCJRDPZ-KSSFIOAISA-N 2 2 334.460 2.392 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2c(F)cc(Cl)cc2F)CC1 ZINC000926084067 1206189619 /nfs/dbraw/zinc/18/96/19/1206189619.db2.gz KNMHNMNBRUMOHA-UHFFFAOYSA-N 2 2 332.782 2.163 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000926098050 1206191598 /nfs/dbraw/zinc/19/15/98/1206191598.db2.gz XDOIKZATYBLDPH-AWEZNQCLSA-N 2 2 344.381 2.012 10 0 EEAELP CON1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000929772032 1206500249 /nfs/dbraw/zinc/50/02/49/1206500249.db2.gz DBZZSGATLPPDJY-UYAOXDASSA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000929772032 1206500251 /nfs/dbraw/zinc/50/02/51/1206500251.db2.gz DBZZSGATLPPDJY-UYAOXDASSA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000929772032 1206500253 /nfs/dbraw/zinc/50/02/53/1206500253.db2.gz DBZZSGATLPPDJY-UYAOXDASSA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000929772032 1206500255 /nfs/dbraw/zinc/50/02/55/1206500255.db2.gz DBZZSGATLPPDJY-UYAOXDASSA-N 2 2 343.471 2.137 10 0 EEAELP Cc1cn2cc(NC(=O)CCCN3CC[NH+](C(C)C)CC3)ccc2[nH+]1 ZINC000900492563 1234413018 /nfs/dbraw/zinc/41/30/18/1234413018.db2.gz UTIKJBMDUICEIN-UHFFFAOYSA-N 2 2 343.475 2.387 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000900693564 1234668513 /nfs/dbraw/zinc/66/85/13/1234668513.db2.gz XAVJFNOVIHNLKF-PZJWPPBQSA-N 2 2 343.515 2.449 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@]1(C)c1ccccc1 ZINC000900693564 1234668514 /nfs/dbraw/zinc/66/85/14/1234668514.db2.gz XAVJFNOVIHNLKF-PZJWPPBQSA-N 2 2 343.515 2.449 10 0 EEAELP COC(=O)[C@H](Cc1cc2ccccc2o1)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000903959936 1242733282 /nfs/dbraw/zinc/73/32/82/1242733282.db2.gz SGKLVXWJMZEVSY-ZQIUZPCESA-N 2 2 330.428 2.495 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1C[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001490939400 1258493028 /nfs/dbraw/zinc/49/30/28/1258493028.db2.gz LSVRGMKXMJOJHZ-QAQDUYKDSA-N 2 2 326.444 2.212 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001491173489 1258743923 /nfs/dbraw/zinc/74/39/23/1258743923.db2.gz JVNAPIVORXXERC-CQSZACIVSA-N 2 2 332.473 2.085 10 0 EEAELP CC(C)OCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491226005 1258809519 /nfs/dbraw/zinc/80/95/19/1258809519.db2.gz KNSOEUCLQXSJIM-IRXDYDNUSA-N 2 2 336.480 2.230 10 0 EEAELP CC(C)OCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001491226005 1258809524 /nfs/dbraw/zinc/80/95/24/1258809524.db2.gz KNSOEUCLQXSJIM-IRXDYDNUSA-N 2 2 336.480 2.230 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001491508768 1259153339 /nfs/dbraw/zinc/15/33/39/1259153339.db2.gz XNNNXCXPNYILKJ-CABCVRRESA-N 2 2 344.434 2.188 10 0 EEAELP CCOCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001273849052 1286760222 /nfs/dbraw/zinc/76/02/22/1286760222.db2.gz PGMGEXHVGYSNET-IBGZPJMESA-N 2 2 348.491 2.038 10 0 EEAELP CCOCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001273849052 1286760238 /nfs/dbraw/zinc/76/02/38/1286760238.db2.gz PGMGEXHVGYSNET-IBGZPJMESA-N 2 2 348.491 2.038 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCCC2(F)F)C1 ZINC001488804542 1290203910 /nfs/dbraw/zinc/20/39/10/1290203910.db2.gz DDSIBJJXRQGQOD-SOUVJXGZSA-N 2 2 340.418 2.193 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1 ZINC001489346878 1290531479 /nfs/dbraw/zinc/53/14/79/1290531479.db2.gz GGMNDJBBPJNRCP-MRXNPFEDSA-N 2 2 332.492 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001489346878 1290531487 /nfs/dbraw/zinc/53/14/87/1290531487.db2.gz GGMNDJBBPJNRCP-MRXNPFEDSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1conc1C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001490409770 1291322580 /nfs/dbraw/zinc/32/25/80/1291322580.db2.gz QGXNOFHMLTZCMD-MRXNPFEDSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1conc1C[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001490409770 1291322591 /nfs/dbraw/zinc/32/25/91/1291322591.db2.gz QGXNOFHMLTZCMD-MRXNPFEDSA-N 2 2 348.491 2.280 10 0 EEAELP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000851846179 1291882924 /nfs/dbraw/zinc/88/29/24/1291882924.db2.gz PTJJNGAESMRPKN-CHWSQXEVSA-N 2 2 331.353 2.174 10 0 EEAELP CCOP(=O)(OCC)[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000851846179 1291882937 /nfs/dbraw/zinc/88/29/37/1291882937.db2.gz PTJJNGAESMRPKN-CHWSQXEVSA-N 2 2 331.353 2.174 10 0 EEAELP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000864425634 1296536433 /nfs/dbraw/zinc/53/64/33/1296536433.db2.gz MWMTZFMOLHOVQR-INIZCTEOSA-N 2 2 335.496 2.281 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)[C@@H](C[NH2+]CCCF)C3CC3)[nH+]c12 ZINC001277710391 1304235692 /nfs/dbraw/zinc/23/56/92/1304235692.db2.gz XXAQSUFRXKWFIJ-KRWDZBQOSA-N 2 2 346.450 2.371 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001278002846 1305652121 /nfs/dbraw/zinc/65/21/21/1305652121.db2.gz NCPSRCFQUQMJFX-LBPRGKRZSA-N 2 2 341.415 2.039 10 0 EEAELP CC[NH+](CC)CCN(CC(C)C)C(=O)/C=C(/C)C[NH+]1CCOCC1 ZINC001141452340 1315158089 /nfs/dbraw/zinc/15/80/89/1315158089.db2.gz GPZCFAKGUYIKCP-JXAWBTAJSA-N 2 2 339.524 2.091 10 0 EEAELP CCOCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001278563583 1317242388 /nfs/dbraw/zinc/24/23/88/1317242388.db2.gz ATHNZDFEPXNVGG-DOTOQJQBSA-N 2 2 344.459 2.167 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CCCCC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC001263822752 1322528013 /nfs/dbraw/zinc/52/80/13/1322528013.db2.gz BGXJMGVZPLYVRV-ZDUSSCGKSA-N 2 2 332.370 2.148 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CCCCC(F)(F)F)C(=O)Cn1cc[nH+]c1 ZINC001263822752 1322528016 /nfs/dbraw/zinc/52/80/16/1322528016.db2.gz BGXJMGVZPLYVRV-ZDUSSCGKSA-N 2 2 332.370 2.148 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001264708025 1322790142 /nfs/dbraw/zinc/79/01/42/1322790142.db2.gz GESXXUMWKLJMRA-FHMLSKBDSA-N 2 2 330.476 2.381 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC001264708025 1322790146 /nfs/dbraw/zinc/79/01/46/1322790146.db2.gz GESXXUMWKLJMRA-FHMLSKBDSA-N 2 2 330.476 2.381 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265615342 1323268745 /nfs/dbraw/zinc/26/87/45/1323268745.db2.gz FSZWZPMEHDGVKG-DLBZAZTESA-N 2 2 330.476 2.240 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001265697347 1323331225 /nfs/dbraw/zinc/33/12/25/1323331225.db2.gz RMWQTQHRTSBZMK-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001265697347 1323331228 /nfs/dbraw/zinc/33/12/28/1323331228.db2.gz RMWQTQHRTSBZMK-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@H+](CCc2ccccc2)CC1 ZINC001279675970 1323976835 /nfs/dbraw/zinc/97/68/35/1323976835.db2.gz RCFSDEJOQNUNGT-UHFFFAOYSA-N 2 2 338.455 2.252 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1=CC[N@@H+](CCc2ccccc2)CC1 ZINC001279675970 1323976838 /nfs/dbraw/zinc/97/68/38/1323976838.db2.gz RCFSDEJOQNUNGT-UHFFFAOYSA-N 2 2 338.455 2.252 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c(F)c1 ZINC001279716352 1323985333 /nfs/dbraw/zinc/98/53/33/1323985333.db2.gz RVXDAKVKQFTVFI-INIZCTEOSA-N 2 2 344.434 2.401 10 0 EEAELP CC/C=C\CC[NH2+]CC1CC(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001282016155 1325571949 /nfs/dbraw/zinc/57/19/49/1325571949.db2.gz VIZYJJYSFGAXBV-QYEFSBCOSA-N 2 2 330.476 2.286 10 0 EEAELP Cc1cnc(C[NH+]2CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C2)s1 ZINC001282740207 1325776970 /nfs/dbraw/zinc/77/69/70/1325776970.db2.gz YATRZWHGOTXFRX-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCc2ccccc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001283938077 1326329049 /nfs/dbraw/zinc/32/90/49/1326329049.db2.gz FSVNYBPUMRIOOR-FUHWJXTLSA-N 2 2 326.444 2.095 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001491607612 1330202256 /nfs/dbraw/zinc/20/22/56/1330202256.db2.gz XXZWIYVBJOXPCN-HUUCEWRRSA-N 2 2 340.471 2.372 10 0 EEAELP C[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001491607612 1330202257 /nfs/dbraw/zinc/20/22/57/1330202257.db2.gz XXZWIYVBJOXPCN-HUUCEWRRSA-N 2 2 340.471 2.372 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](C[NH2+]CCCCCF)C1 ZINC001491813242 1330279225 /nfs/dbraw/zinc/27/92/25/1330279225.db2.gz AXOLBWWYYBBMMJ-HOTGVXAUSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC1CC(F)(F)C1 ZINC001492037707 1330460983 /nfs/dbraw/zinc/46/09/83/1330460983.db2.gz YQWCJWYTHYHGSX-CYZMBNFOSA-N 2 2 326.391 2.043 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1CC(F)(F)C1 ZINC001492037707 1330460989 /nfs/dbraw/zinc/46/09/89/1330460989.db2.gz YQWCJWYTHYHGSX-CYZMBNFOSA-N 2 2 326.391 2.043 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CCC1CCCC1 ZINC001316834757 1331376674 /nfs/dbraw/zinc/37/66/74/1331376674.db2.gz HIHRHQRQBCFIFM-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)CCC1CCCC1 ZINC001316834757 1331376679 /nfs/dbraw/zinc/37/66/79/1331376679.db2.gz HIHRHQRQBCFIFM-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)OCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001316882197 1331948742 /nfs/dbraw/zinc/94/87/42/1331948742.db2.gz YGSKHCMSCBXUBW-IRXDYDNUSA-N 2 2 336.480 2.057 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1CC(C)C1 ZINC001316896788 1331962705 /nfs/dbraw/zinc/96/27/05/1331962705.db2.gz XBZMVYBOMYNRGL-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1CC(C)C1 ZINC001316896788 1331962708 /nfs/dbraw/zinc/96/27/08/1331962708.db2.gz XBZMVYBOMYNRGL-OFLPRAFFSA-N 2 2 332.492 2.320 10 0 EEAELP O=C(N[C@H]1CC[N@H+](CCOCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001316983156 1332028639 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328.407 2.171 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001317900171 1332441899 /nfs/dbraw/zinc/44/18/99/1332441899.db2.gz UBLKBGPITCLASC-YRLOJYSSSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)CCn1cc[nH+]c1 ZINC001320511954 1332899911 /nfs/dbraw/zinc/89/99/11/1332899911.db2.gz JPZNPEYCYZMLKD-KGLIPLIRSA-N 2 2 328.407 2.193 10 0 EEAELP C[C@@H](CC[NH2+]Cc1nc(C(C)(C)C)cs1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001320561443 1332910612 /nfs/dbraw/zinc/91/06/12/1332910612.db2.gz IISXPWYHZGWHAF-LBPRGKRZSA-N 2 2 349.504 2.391 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)C12CCC[NH+]1CCC2 ZINC001320783421 1332952262 /nfs/dbraw/zinc/95/22/62/1332952262.db2.gz ZQXSBWWCVOZSOU-UHFFFAOYSA-N 2 2 346.475 2.119 10 0 EEAELP CC[C@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC001321431357 1333103237 /nfs/dbraw/zinc/10/32/37/1333103237.db2.gz DXROSMUFYVHGCG-LIMHQNJXSA-N 2 2 330.407 2.436 10 0 EEAELP CC(C)CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C1CC1 ZINC001323000361 1333366401 /nfs/dbraw/zinc/36/64/01/1333366401.db2.gz NGRUVVBKTMRYBC-ROUUACIJSA-N 2 2 347.507 2.321 10 0 EEAELP CC(C)CC[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C1CC1 ZINC001323000361 1333366403 /nfs/dbraw/zinc/36/64/03/1333366403.db2.gz NGRUVVBKTMRYBC-ROUUACIJSA-N 2 2 347.507 2.321 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCCc2cccc(C)c2)CC1 ZINC001323602062 1333496626 /nfs/dbraw/zinc/49/66/26/1333496626.db2.gz KQFPCIUVALCBJD-UHFFFAOYSA-N 2 2 340.471 2.440 10 0 EEAELP CC(C)OCCC[NH2+]C1(C)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001328007526 1334378208 /nfs/dbraw/zinc/37/82/08/1334378208.db2.gz RXNOYPUIXIRHQT-UHFFFAOYSA-N 2 2 336.480 2.059 10 0 EEAELP CC/C=C\CC[NH+]1CCC2(CC1)CN(C(=O)Cc1[nH]cc[nH+]1)CCO2 ZINC001328485274 1334466401 /nfs/dbraw/zinc/46/64/01/1334466401.db2.gz HNJLSQGOMVQWSO-ARJAWSKDSA-N 2 2 346.475 2.002 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]CCCc1ccccc1 ZINC001329163966 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335.839 2.027 10 0 EEAELP CC(C)(C(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1)c1c[nH+]c[nH]1 ZINC001566909856 1342650553 /nfs/dbraw/zinc/65/05/53/1342650553.db2.gz GPGCNAIVGNAFSW-GFCCVEGCSA-N 2 2 346.397 2.468 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1C[NH2+]CCc1ccns1 ZINC001566939705 1342655513 /nfs/dbraw/zinc/65/55/13/1342655513.db2.gz KJOQJHQTBVYUDR-OAHLLOKOSA-N 2 2 347.488 2.012 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]CCc1ccns1 ZINC001566939705 1342655517 /nfs/dbraw/zinc/65/55/17/1342655517.db2.gz KJOQJHQTBVYUDR-OAHLLOKOSA-N 2 2 347.488 2.012 10 0 EEAELP CCOCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001570544377 1343080680 /nfs/dbraw/zinc/08/06/80/1343080680.db2.gz ULVGLKSUWYFGFY-OAHLLOKOSA-N 2 2 336.480 2.037 10 0 EEAELP CCOCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001570544377 1343080685 /nfs/dbraw/zinc/08/06/85/1343080685.db2.gz ULVGLKSUWYFGFY-OAHLLOKOSA-N 2 2 336.480 2.037 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CCF 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MCNQDXFMVQRLHV-HIFRSBDPSA-N 2 2 330.432 2.182 10 0 EEAELP COCCCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001656967542 1354305332 /nfs/dbraw/zinc/30/53/32/1354305332.db2.gz MCNQDXFMVQRLHV-HIFRSBDPSA-N 2 2 330.432 2.182 10 0 EEAELP CCc1nc(C[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)cs1 ZINC001660170859 1354409450 /nfs/dbraw/zinc/40/94/50/1354409450.db2.gz UHAFIMVVUQVRJE-UHFFFAOYSA-N 2 2 338.521 2.128 10 0 EEAELP CCc1nc(C[N@@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)cs1 ZINC001660170859 1354409454 /nfs/dbraw/zinc/40/94/54/1354409454.db2.gz UHAFIMVVUQVRJE-UHFFFAOYSA-N 2 2 338.521 2.128 10 0 EEAELP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001660197675 1354415218 /nfs/dbraw/zinc/41/52/18/1354415218.db2.gz IOTRHSBDTFECSI-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001660197675 1354415221 /nfs/dbraw/zinc/41/52/21/1354415221.db2.gz IOTRHSBDTFECSI-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(F)c(F)c1 ZINC001660634604 1354506218 /nfs/dbraw/zinc/50/62/18/1354506218.db2.gz BPMOJUPCDDJACU-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(F)c(F)c1 ZINC001660634604 1354506223 /nfs/dbraw/zinc/50/62/23/1354506223.db2.gz BPMOJUPCDDJACU-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001661930745 1354725050 /nfs/dbraw/zinc/72/50/50/1354725050.db2.gz YLZLXFCCBVODTL-MLVZXCIBSA-N 2 2 336.867 2.169 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H](C[NH2+]C/C=C\Cl)C3)ccn12 ZINC001662630952 1354815734 /nfs/dbraw/zinc/81/57/34/1354815734.db2.gz RJTREEJMCHWYAM-DQWBNOTDSA-N 2 2 332.835 2.447 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]Cc1cccc(C)c1 ZINC001664008308 1355073003 /nfs/dbraw/zinc/07/30/03/1355073003.db2.gz GIXFLRMTOVFHRR-UHFFFAOYSA-N 2 2 327.428 2.189 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1C ZINC001664195657 1355110557 /nfs/dbraw/zinc/11/05/57/1355110557.db2.gz PSERBVQGOFCLJZ-QZTJIDSGSA-N 2 2 340.471 2.389 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001664309072 1355135409 /nfs/dbraw/zinc/13/54/09/1355135409.db2.gz DWSAOQKNAQYFHB-CVEARBPZSA-N 2 2 348.491 2.220 10 0 EEAELP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001665401018 1355299912 /nfs/dbraw/zinc/29/99/12/1355299912.db2.gz OEZIASUNZXVKRE-ULQDDVLXSA-N 2 2 330.476 2.311 10 0 EEAELP CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001665401018 1355299916 /nfs/dbraw/zinc/29/99/16/1355299916.db2.gz OEZIASUNZXVKRE-ULQDDVLXSA-N 2 2 330.476 2.311 10 0 EEAELP C[C@](C[NH2+]Cc1ccnc(Cl)c1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001666044250 1355430988 /nfs/dbraw/zinc/43/09/88/1355430988.db2.gz QZQRECNZOWUEET-QGZVFWFLSA-N 2 2 347.850 2.006 10 0 EEAELP CO[C@@H](C)C[NH2+]CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001666218992 1355487962 /nfs/dbraw/zinc/48/79/62/1355487962.db2.gz JVIAVJIVQBTZKW-AWEZNQCLSA-N 2 2 344.459 2.430 10 0 EEAELP CCCCC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCOCC2)C1 ZINC001672879148 1356606040 /nfs/dbraw/zinc/60/60/40/1356606040.db2.gz HHDMZGBZRJGQBM-QGZVFWFLSA-N 2 2 339.524 2.116 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1COCC[NH+]1CC1=CCCCC1 ZINC001673048511 1356637440 /nfs/dbraw/zinc/63/74/40/1356637440.db2.gz FKCJFULTSLEICL-OALUTQOASA-N 2 2 349.519 2.178 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1COCC[NH+]1CC1=CCCCC1 ZINC001673048511 1356637445 /nfs/dbraw/zinc/63/74/45/1356637445.db2.gz FKCJFULTSLEICL-OALUTQOASA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001673048511 1356637450 /nfs/dbraw/zinc/63/74/50/1356637450.db2.gz FKCJFULTSLEICL-OALUTQOASA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001673048511 1356637455 /nfs/dbraw/zinc/63/74/55/1356637455.db2.gz FKCJFULTSLEICL-OALUTQOASA-N 2 2 349.519 2.178 10 0 EEAELP COCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001673651763 1356728393 /nfs/dbraw/zinc/72/83/93/1356728393.db2.gz ZVTLFIGMAUDUFH-IBGZPJMESA-N 2 2 348.491 2.038 10 0 EEAELP COCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C2 ZINC001673651763 1356728398 /nfs/dbraw/zinc/72/83/98/1356728398.db2.gz ZVTLFIGMAUDUFH-IBGZPJMESA-N 2 2 348.491 2.038 10 0 EEAELP COCCCCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001673877993 1356753771 /nfs/dbraw/zinc/75/37/71/1356753771.db2.gz MHFVVBABJSRKBG-KBXCAEBGSA-N 2 2 344.459 2.430 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCCCCF)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001675759616 1357046686 /nfs/dbraw/zinc/04/66/86/1357046686.db2.gz OLBQBIMTSVHBBJ-BZUAXINKSA-N 2 2 336.455 2.070 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)C[NH2+]Cc3cncs3)ccn12 ZINC001698825591 1405093266 /nfs/dbraw/zinc/09/32/66/1405093266.db2.gz UOZSPYQLNMMQFP-GFCCVEGCSA-N 2 2 343.456 2.350 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001699026518 1405240679 /nfs/dbraw/zinc/24/06/79/1405240679.db2.gz FEJLRXYDDAZPHB-OALUTQOASA-N 2 2 340.471 2.390 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001699139088 1405287695 /nfs/dbraw/zinc/28/76/95/1405287695.db2.gz OAHKAHASHDJWPP-OLZOCXBDSA-N 2 2 335.477 2.284 10 0 EEAELP COCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001699941881 1405590597 /nfs/dbraw/zinc/59/05/97/1405590597.db2.gz RUROWIUGOLASQA-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP O=C1CCCCN1c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000817894716 785049584 /nfs/dbraw/zinc/04/95/84/785049584.db2.gz NLBHKWJKHHOATL-ICSRJNTNSA-N 2 2 343.471 2.060 10 0 EEAELP Cc1cc(F)cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1N ZINC001136491538 786856669 /nfs/dbraw/zinc/85/66/69/786856669.db2.gz WJESIIYCPYIHAE-UHFFFAOYSA-N 2 2 348.466 2.005 10 0 EEAELP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000912803051 788375513 /nfs/dbraw/zinc/37/55/13/788375513.db2.gz KNKNUOYYRZKMKS-WBVHZDCISA-N 2 2 332.492 2.341 10 0 EEAELP [NH3+]CC1(CC[NH2+]N2CCO[C@@H](c3c(F)cccc3Cl)C2)CC1 ZINC000846314326 790128908 /nfs/dbraw/zinc/12/89/08/790128908.db2.gz QRIYXYHSMOMKGG-CQSZACIVSA-N 2 2 327.831 2.486 10 0 EEAELP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2nccc3c2CCCC3)CC1 ZINC000921861510 797696881 /nfs/dbraw/zinc/69/68/81/797696881.db2.gz XBQMBWDPDIWPDB-VQTJNVASSA-N 2 2 329.488 2.428 10 0 EEAELP Cn1cc(C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)cn1 ZINC000823708605 798760478 /nfs/dbraw/zinc/76/04/78/798760478.db2.gz ZBHUOKYOZOUNKP-UHFFFAOYSA-N 2 2 338.358 2.093 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1Cc1ccccc1 ZINC001436440938 1087834178 /nfs/dbraw/zinc/83/41/78/1087834178.db2.gz RGXQJMCBSMIZSJ-ZWKOTPCHSA-N 2 2 326.444 2.443 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1Cc1ccccc1 ZINC001436440938 1087834199 /nfs/dbraw/zinc/83/41/99/1087834199.db2.gz RGXQJMCBSMIZSJ-ZWKOTPCHSA-N 2 2 326.444 2.443 10 0 EEAELP Cc1cnc(C[NH+]2CCC(N(C)C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001436670548 1088112911 /nfs/dbraw/zinc/11/29/11/1088112911.db2.gz ZFGSWDBCMPKAGD-MRXNPFEDSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1cnc(C[NH+]2CCC(N(C)C(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001436670548 1088112919 /nfs/dbraw/zinc/11/29/19/1088112919.db2.gz ZFGSWDBCMPKAGD-MRXNPFEDSA-N 2 2 348.491 2.280 10 0 EEAELP CCc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)o1 ZINC001437049137 1088936314 /nfs/dbraw/zinc/93/63/14/1088936314.db2.gz ZGJBWQWASBYDSJ-HNNXBMFYSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)o1 ZINC001437049137 1088936329 /nfs/dbraw/zinc/93/63/29/1088936329.db2.gz ZGJBWQWASBYDSJ-HNNXBMFYSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)o1 ZINC001437049137 1088936351 /nfs/dbraw/zinc/93/63/51/1088936351.db2.gz ZGJBWQWASBYDSJ-HNNXBMFYSA-N 2 2 336.480 2.048 10 0 EEAELP Cc1ncc(C[NH2+]C2CCC(NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)o1 ZINC001437088801 1089040390 /nfs/dbraw/zinc/04/03/90/1089040390.db2.gz OINVITLGADONKH-JEYLPNPQSA-N 2 2 345.447 2.348 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001437247136 1089365426 /nfs/dbraw/zinc/36/54/26/1089365426.db2.gz MQQHHCJFMMWWHU-HNNXBMFYSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2C[NH+](CCc3ccccc3)C2)c[nH+]1 ZINC001438127024 1090652874 /nfs/dbraw/zinc/65/28/74/1090652874.db2.gz KBBMAWOTQZXHTE-UHFFFAOYSA-N 2 2 340.471 2.217 10 0 EEAELP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C[NH2+]Cc1ccsc1 ZINC001438494208 1090992050 /nfs/dbraw/zinc/99/20/50/1090992050.db2.gz RQBAGTKGFUEVAJ-AWEZNQCLSA-N 2 2 346.500 2.366 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](C)CNC(=O)Cc1[nH]c[nH+]c1C ZINC001438542881 1091034153 /nfs/dbraw/zinc/03/41/53/1091034153.db2.gz HEBPSUACGUSPEA-LBPRGKRZSA-N 2 2 347.463 2.223 10 0 EEAELP CC[N@H+](C)CCC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001438762446 1091333402 /nfs/dbraw/zinc/33/34/02/1091333402.db2.gz IOPYMLCBTDPIFY-UHFFFAOYSA-N 2 2 332.492 2.342 10 0 EEAELP CC[N@@H+](C)CCC1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001438762446 1091333414 /nfs/dbraw/zinc/33/34/14/1091333414.db2.gz IOPYMLCBTDPIFY-UHFFFAOYSA-N 2 2 332.492 2.342 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001438890615 1091536458 /nfs/dbraw/zinc/53/64/58/1091536458.db2.gz QBFALBMYKYHXCB-WMZOPIPTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001438890615 1091536464 /nfs/dbraw/zinc/53/64/64/1091536464.db2.gz QBFALBMYKYHXCB-WMZOPIPTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001438890615 1091536469 /nfs/dbraw/zinc/53/64/69/1091536469.db2.gz QBFALBMYKYHXCB-WMZOPIPTSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001438890615 1091536476 /nfs/dbraw/zinc/53/64/76/1091536476.db2.gz QBFALBMYKYHXCB-WMZOPIPTSA-N 2 2 348.491 2.144 10 0 EEAELP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)on1 ZINC001445755634 1091595967 /nfs/dbraw/zinc/59/59/67/1091595967.db2.gz DLHIIGJFHNKTTC-WBVHZDCISA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)on1 ZINC001445755634 1091595973 /nfs/dbraw/zinc/59/59/73/1091595973.db2.gz DLHIIGJFHNKTTC-WBVHZDCISA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2CC(C)C)on1 ZINC001445755634 1091595978 /nfs/dbraw/zinc/59/59/78/1091595978.db2.gz DLHIIGJFHNKTTC-WBVHZDCISA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2CC(C)C)on1 ZINC001445755634 1091595987 /nfs/dbraw/zinc/59/59/87/1091595987.db2.gz DLHIIGJFHNKTTC-WBVHZDCISA-N 2 2 336.480 2.040 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445813723 1091690529 /nfs/dbraw/zinc/69/05/29/1091690529.db2.gz KKYVXKGJJDQBRF-CHWSQXEVSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001445813723 1091690536 /nfs/dbraw/zinc/69/05/36/1091690536.db2.gz KKYVXKGJJDQBRF-CHWSQXEVSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1cncc(C[N@H+]2CC[C@@H]2CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001446130334 1092179360 /nfs/dbraw/zinc/17/93/60/1092179360.db2.gz QYRDYQBFDPQKNH-RTBURBONSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cncc(C[N@@H+]2CC[C@@H]2CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001446130334 1092179364 /nfs/dbraw/zinc/17/93/64/1092179364.db2.gz QYRDYQBFDPQKNH-RTBURBONSA-N 2 2 344.503 2.201 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C2(CNC(=O)C34CCC[NH+](CCC3)C4)CC2)o1 ZINC001446188975 1092265413 /nfs/dbraw/zinc/26/54/13/1092265413.db2.gz CKZWYDQZSNSOMK-HNNXBMFYSA-N 2 2 346.475 2.158 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001439563944 1092441112 /nfs/dbraw/zinc/44/11/12/1092441112.db2.gz SYAGDXFBIGQFDL-TZMCWYRMSA-N 2 2 326.391 2.070 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[N@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001439563944 1092441117 /nfs/dbraw/zinc/44/11/17/1092441117.db2.gz SYAGDXFBIGQFDL-TZMCWYRMSA-N 2 2 326.391 2.070 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)sn1 ZINC001439567438 1092450153 /nfs/dbraw/zinc/45/01/53/1092450153.db2.gz AYIAOCFSKMJDLZ-OAHLLOKOSA-N 2 2 336.505 2.018 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)sn1 ZINC001439567438 1092450160 /nfs/dbraw/zinc/45/01/60/1092450160.db2.gz AYIAOCFSKMJDLZ-OAHLLOKOSA-N 2 2 336.505 2.018 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001439846912 1092859767 /nfs/dbraw/zinc/85/97/67/1092859767.db2.gz FWUVPLLBQDDJPQ-KSSFIOAISA-N 2 2 345.447 2.165 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001439846912 1092859770 /nfs/dbraw/zinc/85/97/70/1092859770.db2.gz FWUVPLLBQDDJPQ-KSSFIOAISA-N 2 2 345.447 2.165 10 0 EEAELP Cc1ncc(C[NH2+]C2(CNC(=O)CCCn3cc[nH+]c3)CCC2)s1 ZINC001440356117 1093514211 /nfs/dbraw/zinc/51/42/11/1093514211.db2.gz HWEKFDYXLWYXOT-UHFFFAOYSA-N 2 2 347.488 2.257 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1F ZINC001448676883 1093743986 /nfs/dbraw/zinc/74/39/86/1093743986.db2.gz AFYBZXQURPTBSL-CABCVRRESA-N 2 2 344.434 2.221 10 0 EEAELP CCC(CC)C[NH+]1CC2(C1)CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)O2 ZINC001440504410 1093748061 /nfs/dbraw/zinc/74/80/61/1093748061.db2.gz SBMWUKPIVGIQCP-MRXNPFEDSA-N 2 2 348.491 2.046 10 0 EEAELP CC(C)CCC[NH+]1CC2(C1)C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)CO2 ZINC001440510839 1093756610 /nfs/dbraw/zinc/75/66/10/1093756610.db2.gz NWJBLQDFMMWFIS-SJORKVTESA-N 2 2 348.491 2.230 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1F ZINC001440662796 1093931763 /nfs/dbraw/zinc/93/17/63/1093931763.db2.gz CILGLYZHBYOJSH-NILFDRSVSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1F ZINC001440662796 1093931769 /nfs/dbraw/zinc/93/17/69/1093931769.db2.gz CILGLYZHBYOJSH-NILFDRSVSA-N 2 2 348.397 2.476 10 0 EEAELP CC[C@@H](C[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C)OC ZINC001449079959 1094093352 /nfs/dbraw/zinc/09/33/52/1094093352.db2.gz MOTGRAHGNZYWKX-WMLDXEAASA-N 2 2 344.459 2.428 10 0 EEAELP C[C@H]([NH2+]CCc1ccns1)[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001440999246 1094270589 /nfs/dbraw/zinc/27/05/89/1094270589.db2.gz VRMSTSOIWGMPLE-ZFWWWQNUSA-N 2 2 347.488 2.011 10 0 EEAELP Cc1ncccc1C[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001449364291 1094330121 /nfs/dbraw/zinc/33/01/21/1094330121.db2.gz HRETVPCGPURNHZ-INIZCTEOSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)s1 ZINC001449394894 1094371447 /nfs/dbraw/zinc/37/14/47/1094371447.db2.gz QEYPOVWPPXPODK-LRVUVFPRSA-N 2 2 347.488 2.378 10 0 EEAELP Cc1cc(C[N@@H+]2CCCCC[C@H]2CNC(=O)Cn2c[nH+]cc2C)no1 ZINC001441123253 1094445410 /nfs/dbraw/zinc/44/54/10/1094445410.db2.gz APESTHNGCJINFF-KRWDZBQOSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1cc(C[N@H+]2CCCCC[C@H]2CNC(=O)Cn2c[nH+]cc2C)no1 ZINC001441123253 1094445412 /nfs/dbraw/zinc/44/54/12/1094445412.db2.gz APESTHNGCJINFF-KRWDZBQOSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1ncc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001441131501 1094460004 /nfs/dbraw/zinc/46/00/04/1094460004.db2.gz FOIFBLHROXWVPE-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1ncc(C[N@H+]2CCCCC[C@@H]2CNC(=O)Cc2[nH]c[nH+]c2C)o1 ZINC001441131501 1094460011 /nfs/dbraw/zinc/46/00/11/1094460011.db2.gz FOIFBLHROXWVPE-OAHLLOKOSA-N 2 2 345.447 2.118 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1nocc1C ZINC001441514902 1095209744 /nfs/dbraw/zinc/20/97/44/1095209744.db2.gz WKOJVNNARBLSBS-GJZGRUSLSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001441554662 1095291629 /nfs/dbraw/zinc/29/16/29/1095291629.db2.gz JKHCXPBKGRBWFR-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001441588380 1095412751 /nfs/dbraw/zinc/41/27/51/1095412751.db2.gz FLCKQDHCIBCEQK-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001441588380 1095412757 /nfs/dbraw/zinc/41/27/57/1095412757.db2.gz FLCKQDHCIBCEQK-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)c(C)o1 ZINC001441632980 1095525622 /nfs/dbraw/zinc/52/56/22/1095525622.db2.gz BBUYUZXQHHCXRM-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)c(C)o1 ZINC001441632980 1095525636 /nfs/dbraw/zinc/52/56/36/1095525636.db2.gz BBUYUZXQHHCXRM-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c(C)o1 ZINC001441632980 1095525644 /nfs/dbraw/zinc/52/56/44/1095525644.db2.gz BBUYUZXQHHCXRM-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)c(C)o1 ZINC001441632980 1095525653 /nfs/dbraw/zinc/52/56/53/1095525653.db2.gz BBUYUZXQHHCXRM-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]CCC(F)(F)F)[C@H]2C1 ZINC001441862197 1095966006 /nfs/dbraw/zinc/96/60/06/1095966006.db2.gz GLTOOECVFFRTDJ-UBHSHLNASA-N 2 2 344.381 2.121 10 0 EEAELP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001442254516 1096555793 /nfs/dbraw/zinc/55/57/93/1096555793.db2.gz OWZPUXBLRXHPOX-UWTIGNOOSA-N 2 2 345.447 2.218 10 0 EEAELP Cc1cc(C)c(C(=O)NCC[N@@H+](C)C[C@H]2CCO[C@H](C)C2)c(C)[nH+]1 ZINC001442478552 1096807450 /nfs/dbraw/zinc/80/74/50/1096807450.db2.gz CIZHVYAMPUYVDQ-WBVHZDCISA-N 2 2 333.476 2.484 10 0 EEAELP Cc1cc(C)c(C(=O)NCC[N@H+](C)C[C@H]2CCO[C@H](C)C2)c(C)[nH+]1 ZINC001442478552 1096807463 /nfs/dbraw/zinc/80/74/63/1096807463.db2.gz CIZHVYAMPUYVDQ-WBVHZDCISA-N 2 2 333.476 2.484 10 0 EEAELP Cc1nc(C[NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)sc1C ZINC001442492566 1096835256 /nfs/dbraw/zinc/83/52/56/1096835256.db2.gz YQCDTJHRFUZBFV-WFASDCNBSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)sc1C ZINC001442492566 1096835263 /nfs/dbraw/zinc/83/52/63/1096835263.db2.gz YQCDTJHRFUZBFV-WFASDCNBSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)sc1C ZINC001442492566 1096835272 /nfs/dbraw/zinc/83/52/72/1096835272.db2.gz YQCDTJHRFUZBFV-WFASDCNBSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)sc1C ZINC001442492566 1096835280 /nfs/dbraw/zinc/83/52/80/1096835280.db2.gz YQCDTJHRFUZBFV-WFASDCNBSA-N 2 2 338.521 2.038 10 0 EEAELP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cc(C2CC2)no1 ZINC001442550744 1096913219 /nfs/dbraw/zinc/91/32/19/1096913219.db2.gz FBUUOROYLXSDJI-YJBOKZPZSA-N 2 2 346.475 2.117 10 0 EEAELP C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1cc(C2CC2)no1 ZINC001442550744 1096913221 /nfs/dbraw/zinc/91/32/21/1096913221.db2.gz FBUUOROYLXSDJI-YJBOKZPZSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)Cc1cc(C2CC2)no1 ZINC001442550744 1096913222 /nfs/dbraw/zinc/91/32/22/1096913222.db2.gz FBUUOROYLXSDJI-YJBOKZPZSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)Cc1cc(C2CC2)no1 ZINC001442550744 1096913223 /nfs/dbraw/zinc/91/32/23/1096913223.db2.gz FBUUOROYLXSDJI-YJBOKZPZSA-N 2 2 346.475 2.117 10 0 EEAELP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccnc1C)[NH+](CC)CC ZINC001443681721 1098185213 /nfs/dbraw/zinc/18/52/13/1098185213.db2.gz XISNEHFZQAPROM-GBESFXJTSA-N 2 2 344.503 2.296 10 0 EEAELP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccnc1C)[NH+](CC)CC ZINC001443681721 1098185217 /nfs/dbraw/zinc/18/52/17/1098185217.db2.gz XISNEHFZQAPROM-GBESFXJTSA-N 2 2 344.503 2.296 10 0 EEAELP C[C@H](F)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675416 1098725734 /nfs/dbraw/zinc/72/57/34/1098725734.db2.gz OTSQYIPZQYKMCN-BBWFWOEESA-N 2 2 336.455 2.192 10 0 EEAELP C[C@H](F)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675416 1098725742 /nfs/dbraw/zinc/72/57/42/1098725742.db2.gz OTSQYIPZQYKMCN-BBWFWOEESA-N 2 2 336.455 2.192 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001479721391 1098810130 /nfs/dbraw/zinc/81/01/30/1098810130.db2.gz FIQGGURIEJUQHR-ZBFHGGJFSA-N 2 2 345.447 2.047 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001479721391 1098810141 /nfs/dbraw/zinc/81/01/41/1098810141.db2.gz FIQGGURIEJUQHR-ZBFHGGJFSA-N 2 2 345.447 2.047 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001444423647 1099046530 /nfs/dbraw/zinc/04/65/30/1099046530.db2.gz TZFIGRWHELUPRT-KBPBESRZSA-N 2 2 328.407 2.051 10 0 EEAELP O=C(NC[C@H]([NH2+]Cc1ccccc1)C1CC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001480030696 1099520370 /nfs/dbraw/zinc/52/03/70/1099520370.db2.gz ORDMQHIUNJYSRG-MJGOQNOKSA-N 2 2 338.455 2.130 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]Cc1c(F)cccc1F ZINC001444716398 1099580892 /nfs/dbraw/zinc/58/08/92/1099580892.db2.gz DIWOIJOUIVNGHN-GFCCVEGCSA-N 2 2 336.386 2.106 10 0 EEAELP C[C@H]([NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C1CC1)c1ccc(F)c(F)c1 ZINC001480068239 1099603117 /nfs/dbraw/zinc/60/31/17/1099603117.db2.gz FJAXAJZOTRIYRL-YVEFUNNKSA-N 2 2 348.397 2.407 10 0 EEAELP COCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001480371318 1100150141 /nfs/dbraw/zinc/15/01/41/1100150141.db2.gz CZEAPYSPCFZWTR-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP COCCCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001480371318 1100150144 /nfs/dbraw/zinc/15/01/44/1100150144.db2.gz CZEAPYSPCFZWTR-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001496241437 1100810001 /nfs/dbraw/zinc/81/00/01/1100810001.db2.gz BAKYXLSTIZJMJB-CQSZACIVSA-N 2 2 349.866 2.348 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001496796715 1101485289 /nfs/dbraw/zinc/48/52/89/1101485289.db2.gz KZSPWSCLGBVQIO-FUHWJXTLSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001496796715 1101485292 /nfs/dbraw/zinc/48/52/92/1101485292.db2.gz KZSPWSCLGBVQIO-FUHWJXTLSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001496796715 1101485298 /nfs/dbraw/zinc/48/52/98/1101485298.db2.gz KZSPWSCLGBVQIO-FUHWJXTLSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001496796715 1101485307 /nfs/dbraw/zinc/48/53/07/1101485307.db2.gz KZSPWSCLGBVQIO-FUHWJXTLSA-N 2 2 348.491 2.144 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](C/C=C/Cl)C2 ZINC001446921451 1101598430 /nfs/dbraw/zinc/59/84/30/1101598430.db2.gz FJWHRTGGRDIUCE-LOOITRHASA-N 2 2 336.867 2.074 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC001446921451 1101598446 /nfs/dbraw/zinc/59/84/46/1101598446.db2.gz FJWHRTGGRDIUCE-LOOITRHASA-N 2 2 336.867 2.074 10 0 EEAELP CCc1ccccc1[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC1CC1 ZINC001446941800 1101631166 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2 328.460 2.163 10 0 EEAELP CCC1([NH2+]Cc2cncs2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001447403350 1102596391 /nfs/dbraw/zinc/59/63/91/1102596391.db2.gz ARKFLXWGHWRPIQ-UHFFFAOYSA-N 2 2 347.488 2.360 10 0 EEAELP CCC1([NH2+]Cc2cncs2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001447403350 1102596398 /nfs/dbraw/zinc/59/63/98/1102596398.db2.gz ARKFLXWGHWRPIQ-UHFFFAOYSA-N 2 2 347.488 2.360 10 0 EEAELP CO[C@@H](C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C1CCCC1 ZINC001447560367 1102863337 /nfs/dbraw/zinc/86/33/37/1102863337.db2.gz HECHIMVAOCAYBC-INIZCTEOSA-N 2 2 348.491 2.128 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001497732721 1102982233 /nfs/dbraw/zinc/98/22/33/1102982233.db2.gz SUKLPNYPRQMSBH-BAABZTOOSA-N 2 2 340.418 2.050 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001497841166 1103178749 /nfs/dbraw/zinc/17/87/49/1103178749.db2.gz UYORGWJKERDDSK-NVXWUHKLSA-N 2 2 326.444 2.048 10 0 EEAELP C[N@H+](CCC1CC1)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 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EEAELP O=C(N[C@@H](C[NH2+]CCOC1CCC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001569307716 1125222390 /nfs/dbraw/zinc/22/23/90/1125222390.db2.gz NNCSRDVZGVHEGE-SFHVURJKSA-N 2 2 342.443 2.230 10 0 EEAELP FC(F)(F)c1csc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)n1 ZINC000422813112 282932300 /nfs/dbraw/zinc/93/23/00/282932300.db2.gz XLGKWQKYJCQWBI-GWCFXTLKSA-N 2 2 335.395 2.061 10 0 EEAELP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(I)o2)C1 ZINC000037484310 202343403 /nfs/dbraw/zinc/34/34/03/202343403.db2.gz SPGXFFCIFNSEQT-SNVBAGLBSA-N 2 2 334.201 2.316 10 0 EEAELP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(I)o2)C1 ZINC000037484310 202343406 /nfs/dbraw/zinc/34/34/06/202343406.db2.gz SPGXFFCIFNSEQT-SNVBAGLBSA-N 2 2 334.201 2.316 10 0 EEAELP CC[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000058296349 201142179 /nfs/dbraw/zinc/14/21/79/201142179.db2.gz KQQQKHCHURKLRD-APWZRJJASA-N 2 2 339.487 2.351 10 0 EEAELP CC[C@@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[N@H+]1CCc2ccccc2C1 ZINC000058296349 201142183 /nfs/dbraw/zinc/14/21/83/201142183.db2.gz KQQQKHCHURKLRD-APWZRJJASA-N 2 2 339.487 2.351 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274908603 201273524 /nfs/dbraw/zinc/27/35/24/201273524.db2.gz MOSJNUYQCQCKIE-TYPHKJRUSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274908603 201273527 /nfs/dbraw/zinc/27/35/27/201273527.db2.gz MOSJNUYQCQCKIE-TYPHKJRUSA-N 3 2 345.531 2.333 10 0 EEAELP c1ccc(Cn2nnnc2C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000097200616 201383339 /nfs/dbraw/zinc/38/33/39/201383339.db2.gz ULQMCGHQCDAACS-KRWDZBQOSA-N 2 2 349.442 2.050 10 0 EEAELP c1ccc(Cn2nnnc2C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000097200616 201383342 /nfs/dbraw/zinc/38/33/42/201383342.db2.gz ULQMCGHQCDAACS-KRWDZBQOSA-N 2 2 349.442 2.050 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccc(F)cc1 ZINC000097200501 201383427 /nfs/dbraw/zinc/38/34/27/201383427.db2.gz CKFJNUWXBYRCRR-INIZCTEOSA-N 2 2 342.418 2.271 10 0 EEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1ccc(F)cc1 ZINC000097200501 201383431 /nfs/dbraw/zinc/38/34/31/201383431.db2.gz CKFJNUWXBYRCRR-INIZCTEOSA-N 2 2 342.418 2.271 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000422838492 240254024 /nfs/dbraw/zinc/25/40/24/240254024.db2.gz OOFXZIIXGORMDB-QYRPDUKASA-N 3 2 343.515 2.396 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000422838492 240254029 /nfs/dbraw/zinc/25/40/29/240254029.db2.gz OOFXZIIXGORMDB-QYRPDUKASA-N 3 2 343.515 2.396 10 0 EEAELP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1c[nH+]ccc1N ZINC000423027439 240335464 /nfs/dbraw/zinc/33/54/64/240335464.db2.gz OZMWDTUBVSLUTB-UKRRQHHQSA-N 3 2 326.448 2.203 10 0 EEAELP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000423050577 240343766 /nfs/dbraw/zinc/34/37/66/240343766.db2.gz MLGCROFJDSHQDR-QZTJIDSGSA-N 2 2 342.418 2.292 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCC2(O)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423112838 240370286 /nfs/dbraw/zinc/37/02/86/240370286.db2.gz YCRGTFUBQTZFIR-ZWKOTPCHSA-N 2 2 334.460 2.010 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCC2(O)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423112836 240370419 /nfs/dbraw/zinc/37/04/19/240370419.db2.gz YCRGTFUBQTZFIR-QZTJIDSGSA-N 2 2 334.460 2.010 10 0 EEAELP c1cc(OC2CCCC2)ncc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422971739 240313511 /nfs/dbraw/zinc/31/35/11/240313511.db2.gz JSOYZZJGIPUIHG-PKOBYXMFSA-N 2 2 331.460 2.260 10 0 EEAELP CCc1cc(N[C@@H](CO)CC[NH+](CC)CC)nc(-c2ccncc2)[nH+]1 ZINC000439139864 242066374 /nfs/dbraw/zinc/06/63/74/242066374.db2.gz XWCHWXYMCAMDGX-QGZVFWFLSA-N 2 2 343.475 2.028 10 0 EEAELP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000453055881 243387556 /nfs/dbraw/zinc/38/75/56/243387556.db2.gz BIRUVESOBNPDFS-MRXNPFEDSA-N 2 2 342.491 2.291 10 0 EEAELP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000071142107 203086248 /nfs/dbraw/zinc/08/62/48/203086248.db2.gz NLIOGAXWIVWJPX-JTQLQIEISA-N 2 2 329.238 2.205 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccs1 ZINC000175599881 207140909 /nfs/dbraw/zinc/14/09/09/207140909.db2.gz OAZRVEJOTWKEEQ-CABCVRRESA-N 2 2 347.488 2.422 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177761012 207392936 /nfs/dbraw/zinc/39/29/36/207392936.db2.gz CWVOZWPPYLPHJQ-HZPDHXFCSA-N 2 2 327.432 2.103 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177761012 207392942 /nfs/dbraw/zinc/39/29/42/207392942.db2.gz CWVOZWPPYLPHJQ-HZPDHXFCSA-N 2 2 327.432 2.103 10 0 EEAELP Brc1csc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422894595 532980634 /nfs/dbraw/zinc/98/06/34/532980634.db2.gz CLUSSQMXEQHWRX-OLZOCXBDSA-N 2 2 331.279 2.367 10 0 EEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271314020 256232311 /nfs/dbraw/zinc/23/23/11/256232311.db2.gz MSLCZUZPISJMEE-XHSDSOJGSA-N 2 2 341.459 2.364 10 0 EEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000271314020 256232312 /nfs/dbraw/zinc/23/23/12/256232312.db2.gz MSLCZUZPISJMEE-XHSDSOJGSA-N 2 2 341.459 2.364 10 0 EEAELP Cc1cccc(OCC[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000352242413 153019066 /nfs/dbraw/zinc/01/90/66/153019066.db2.gz VEOSGMSQNNHAMO-UHFFFAOYSA-N 2 2 341.459 2.052 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000357696276 153292180 /nfs/dbraw/zinc/29/21/80/153292180.db2.gz VRBHQZWTNIIBHM-KRWDZBQOSA-N 2 2 330.476 2.303 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000357696276 153292183 /nfs/dbraw/zinc/29/21/83/153292183.db2.gz VRBHQZWTNIIBHM-KRWDZBQOSA-N 2 2 330.476 2.303 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000074534624 159067046 /nfs/dbraw/zinc/06/70/46/159067046.db2.gz AAKSAFSBHJJDHS-MRXNPFEDSA-N 2 2 333.480 2.309 10 0 EEAELP CO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000342073086 161037093 /nfs/dbraw/zinc/03/70/93/161037093.db2.gz VQDSUYNEUDEXTK-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP CO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000342073086 161037094 /nfs/dbraw/zinc/03/70/94/161037094.db2.gz VQDSUYNEUDEXTK-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CC=CCC1 ZINC000344031757 161191881 /nfs/dbraw/zinc/19/18/81/161191881.db2.gz CWZJJSLMMQCMOO-QGZVFWFLSA-N 2 2 331.460 2.212 10 0 EEAELP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@@H]1CC=CCC1 ZINC000344031757 161191882 /nfs/dbraw/zinc/19/18/82/161191882.db2.gz CWZJJSLMMQCMOO-QGZVFWFLSA-N 2 2 331.460 2.212 10 0 EEAELP COC(=O)c1ccc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)o1 ZINC000344236062 161209900 /nfs/dbraw/zinc/20/99/00/161209900.db2.gz VJNBXHKYZGHHDK-UHFFFAOYSA-N 2 2 326.356 2.245 10 0 EEAELP CC[N@H+](CCO)CC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000346522676 161379088 /nfs/dbraw/zinc/37/90/88/161379088.db2.gz DNAVQBDSTJDZNA-LBPRGKRZSA-N 2 2 347.272 2.423 10 0 EEAELP CC[N@@H+](CCO)CC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000346522676 161379089 /nfs/dbraw/zinc/37/90/89/161379089.db2.gz DNAVQBDSTJDZNA-LBPRGKRZSA-N 2 2 347.272 2.423 10 0 EEAELP CCNC(=O)C[NH+]1CCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000360644629 164357935 /nfs/dbraw/zinc/35/79/35/164357935.db2.gz GFPZWNMGYFMDRA-UHFFFAOYSA-N 2 2 326.444 2.110 10 0 EEAELP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000364327800 165097678 /nfs/dbraw/zinc/09/76/78/165097678.db2.gz KXPSWYLTBMTHMW-MSOLQXFVSA-N 2 2 343.427 2.415 10 0 EEAELP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000364327800 165097684 /nfs/dbraw/zinc/09/76/84/165097684.db2.gz KXPSWYLTBMTHMW-MSOLQXFVSA-N 2 2 343.427 2.415 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000375303489 167107479 /nfs/dbraw/zinc/10/74/79/167107479.db2.gz QXDKXDBXIKFHLU-SFHVURJKSA-N 2 2 345.535 2.376 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000375303489 167107482 /nfs/dbraw/zinc/10/74/82/167107482.db2.gz QXDKXDBXIKFHLU-SFHVURJKSA-N 2 2 345.535 2.376 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000376319403 167303646 /nfs/dbraw/zinc/30/36/46/167303646.db2.gz DLTUHNDMUHYJCQ-CVEARBPZSA-N 2 2 333.480 2.307 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[N@@H+]1C ZINC000123253863 222243921 /nfs/dbraw/zinc/24/39/21/222243921.db2.gz DKALPXMUALORMW-UONOGXRCSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[N@H+]1C ZINC000123253863 222243923 /nfs/dbraw/zinc/24/39/23/222243923.db2.gz DKALPXMUALORMW-UONOGXRCSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[NH+]1C ZINC000123253863 222243928 /nfs/dbraw/zinc/24/39/28/222243928.db2.gz DKALPXMUALORMW-UONOGXRCSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2cc(C(C)(C)C)nn2C)CC[NH+]1C ZINC000123253863 222243929 /nfs/dbraw/zinc/24/39/29/222243929.db2.gz DKALPXMUALORMW-UONOGXRCSA-N 2 2 335.496 2.071 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292060647 275369852 /nfs/dbraw/zinc/36/98/52/275369852.db2.gz CLVBIIBVHKIUQQ-MDYRTPRTSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292060647 275369853 /nfs/dbraw/zinc/36/98/53/275369853.db2.gz CLVBIIBVHKIUQQ-MDYRTPRTSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292060647 275369854 /nfs/dbraw/zinc/36/98/54/275369854.db2.gz CLVBIIBVHKIUQQ-MDYRTPRTSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292060647 275369855 /nfs/dbraw/zinc/36/98/55/275369855.db2.gz CLVBIIBVHKIUQQ-MDYRTPRTSA-N 2 2 343.471 2.043 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449243950 277184548 /nfs/dbraw/zinc/18/45/48/277184548.db2.gz OKQQGFKCIUDMHQ-ZFWWWQNUSA-N 2 2 343.240 2.232 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449243950 277184549 /nfs/dbraw/zinc/18/45/49/277184549.db2.gz OKQQGFKCIUDMHQ-ZFWWWQNUSA-N 2 2 343.240 2.232 10 0 EEAELP c1ccc(N2CCC[C@H](C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)C2)cc1 ZINC000423091049 280481381 /nfs/dbraw/zinc/48/13/81/280481381.db2.gz ZBNNTZXCVKAOEH-NSISKUIASA-N 2 2 329.488 2.260 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000297041328 294136966 /nfs/dbraw/zinc/13/69/66/294136966.db2.gz KLKHPFDBMZMBGI-RDJZCZTQSA-N 2 2 341.459 2.365 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000297041328 294136967 /nfs/dbraw/zinc/13/69/67/294136967.db2.gz KLKHPFDBMZMBGI-RDJZCZTQSA-N 2 2 341.459 2.365 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000297599886 294291429 /nfs/dbraw/zinc/29/14/29/294291429.db2.gz FRPQZWUPWZFLJH-OAHLLOKOSA-N 2 2 333.411 2.144 10 0 EEAELP COc1ccc([C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422946669 295245779 /nfs/dbraw/zinc/24/57/79/295245779.db2.gz XBFGBQAVAGUFPJ-MNEFBYGVSA-N 2 2 326.444 2.359 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339086648 312251410 /nfs/dbraw/zinc/25/14/10/312251410.db2.gz GMGMUOXHGXARLI-OAGGEKHMSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000339086648 312251413 /nfs/dbraw/zinc/25/14/13/312251413.db2.gz GMGMUOXHGXARLI-OAGGEKHMSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339086648 312251414 /nfs/dbraw/zinc/25/14/14/312251414.db2.gz GMGMUOXHGXARLI-OAGGEKHMSA-N 2 2 339.842 2.435 10 0 EEAELP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000339086648 312251416 /nfs/dbraw/zinc/25/14/16/312251416.db2.gz GMGMUOXHGXARLI-OAGGEKHMSA-N 2 2 339.842 2.435 10 0 EEAELP COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414736968 313072715 /nfs/dbraw/zinc/07/27/15/313072715.db2.gz IARAOHJNUPCCMW-JSGCOSHPSA-N 2 2 326.387 2.328 10 0 EEAELP COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414736968 313072717 /nfs/dbraw/zinc/07/27/17/313072717.db2.gz IARAOHJNUPCCMW-JSGCOSHPSA-N 2 2 326.387 2.328 10 0 EEAELP COCCOc1cc2c(cc1C[NH2+]C[C@H]([NH3+])c1ccccc1)OCO2 ZINC000414832283 313099747 /nfs/dbraw/zinc/09/97/47/313099747.db2.gz OIYJNOXOJJMROZ-INIZCTEOSA-N 2 2 344.411 2.230 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O)c1ccc(F)cc1 ZINC000525863476 317084426 /nfs/dbraw/zinc/08/44/26/317084426.db2.gz CDKPRDAPZSRAJJ-PBHICJAKSA-N 2 2 344.434 2.444 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000564936427 319130261 /nfs/dbraw/zinc/13/02/61/319130261.db2.gz GHYPHSFDCKWOBN-QGZVFWFLSA-N 2 2 341.459 2.307 10 0 EEAELP C[C@@H](O)[C@H]1CCN(c2cc(NC3CC([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000581535558 324274248 /nfs/dbraw/zinc/27/42/48/324274248.db2.gz SWGOFINCDCMMLK-XNIRIUNOSA-N 2 2 345.491 2.113 10 0 EEAELP C[C@@H](O)[C@H]1CCN(c2cc(NC3CC([NH+]4CCCCC4)C3)[nH+]cn2)C1 ZINC000581535558 324274252 /nfs/dbraw/zinc/27/42/52/324274252.db2.gz SWGOFINCDCMMLK-XNIRIUNOSA-N 2 2 345.491 2.113 10 0 EEAELP Cc1nc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000532014724 448183216 /nfs/dbraw/zinc/18/32/16/448183216.db2.gz MRNBJRGBHWOIRW-NSHDSACASA-N 2 2 332.477 2.166 10 0 EEAELP Cc1nc(NC[C@H](C)[N@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000532014724 448183218 /nfs/dbraw/zinc/18/32/18/448183218.db2.gz MRNBJRGBHWOIRW-NSHDSACASA-N 2 2 332.477 2.166 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1CNc1nc2ccccc2n2c[nH+]cc12 ZINC000624249015 450763527 /nfs/dbraw/zinc/76/35/27/450763527.db2.gz OKPQZMRXGKRVBG-AWEZNQCLSA-N 2 2 325.416 2.141 10 0 EEAELP COc1ccc([C@H](C[NH+]2CCCC2)Nc2nc(C)[nH+]c(N)n2)cc1 ZINC000631201716 451638417 /nfs/dbraw/zinc/63/84/17/451638417.db2.gz UZPPUVNQTYQKPZ-HNNXBMFYSA-N 2 2 328.420 2.020 10 0 EEAELP c1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)nc1 ZINC000341439944 465168272 /nfs/dbraw/zinc/16/82/72/465168272.db2.gz JHTBMXVLLIYCQG-GOSISDBHSA-N 2 2 339.439 2.476 10 0 EEAELP CCN(CCOC)c1cccc(CN2CCC[N@@H+](C(C)C)CC2)[nH+]1 ZINC000351498338 465186603 /nfs/dbraw/zinc/18/66/03/465186603.db2.gz VLLJHBDUSOYWQE-UHFFFAOYSA-N 2 2 334.508 2.470 10 0 EEAELP CCN(CCOC)c1cccc(CN2CCC[N@H+](C(C)C)CC2)[nH+]1 ZINC000351498338 465186605 /nfs/dbraw/zinc/18/66/05/465186605.db2.gz VLLJHBDUSOYWQE-UHFFFAOYSA-N 2 2 334.508 2.470 10 0 EEAELP CCCC[C@H](COC)[NH2+]C[C@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000354859346 465197491 /nfs/dbraw/zinc/19/74/91/465197491.db2.gz CXRLCZBYIGVEAM-ARFHVFGLSA-N 2 2 326.460 2.127 10 0 EEAELP C[N@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000351635049 465263810 /nfs/dbraw/zinc/26/38/10/465263810.db2.gz IRSONWWIRZIRNX-GOSISDBHSA-N 2 2 337.508 2.011 10 0 EEAELP C[N@@H+](CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000351635049 465263814 /nfs/dbraw/zinc/26/38/14/465263814.db2.gz IRSONWWIRZIRNX-GOSISDBHSA-N 2 2 337.508 2.011 10 0 EEAELP C[NH+](CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000351635049 465263817 /nfs/dbraw/zinc/26/38/17/465263817.db2.gz IRSONWWIRZIRNX-GOSISDBHSA-N 2 2 337.508 2.011 10 0 EEAELP C[NH+](CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000351635049 465263819 /nfs/dbraw/zinc/26/38/19/465263819.db2.gz IRSONWWIRZIRNX-GOSISDBHSA-N 2 2 337.508 2.011 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000339432545 465270121 /nfs/dbraw/zinc/27/01/21/465270121.db2.gz AZTBWVCWDWIOGP-KXBFYZLASA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000339432545 465270123 /nfs/dbraw/zinc/27/01/23/465270123.db2.gz AZTBWVCWDWIOGP-KXBFYZLASA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000339432545 465270127 /nfs/dbraw/zinc/27/01/27/465270127.db2.gz AZTBWVCWDWIOGP-KXBFYZLASA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000339432545 465270129 /nfs/dbraw/zinc/27/01/29/465270129.db2.gz AZTBWVCWDWIOGP-KXBFYZLASA-N 2 2 333.451 2.421 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)Cc1ccccc1 ZINC000351869266 465409060 /nfs/dbraw/zinc/40/90/60/465409060.db2.gz UCCNFEFNZFZRBW-SFHVURJKSA-N 2 2 349.438 2.170 10 0 EEAELP Cc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000089689368 462708327 /nfs/dbraw/zinc/70/83/27/462708327.db2.gz JIEORRDGOSTQOS-QGZVFWFLSA-N 2 2 340.471 2.299 10 0 EEAELP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000089689368 462708333 /nfs/dbraw/zinc/70/83/33/462708333.db2.gz JIEORRDGOSTQOS-QGZVFWFLSA-N 2 2 340.471 2.299 10 0 EEAELP Cc1ccccc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154587228 462785283 /nfs/dbraw/zinc/78/52/83/462785283.db2.gz DDIYVEZRVLPOHA-YOFSQIOKSA-N 2 2 341.499 2.307 10 0 EEAELP Cc1ccccc1CC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154587228 462785286 /nfs/dbraw/zinc/78/52/86/462785286.db2.gz DDIYVEZRVLPOHA-YOFSQIOKSA-N 2 2 341.499 2.307 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123226111 463325296 /nfs/dbraw/zinc/32/52/96/463325296.db2.gz UMUVPHFBSSPKNI-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123226111 463325302 /nfs/dbraw/zinc/32/53/02/463325302.db2.gz UMUVPHFBSSPKNI-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123226111 463325307 /nfs/dbraw/zinc/32/53/07/463325307.db2.gz UMUVPHFBSSPKNI-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123226111 463325310 /nfs/dbraw/zinc/32/53/10/463325310.db2.gz UMUVPHFBSSPKNI-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000123530262 463349312 /nfs/dbraw/zinc/34/93/12/463349312.db2.gz AYVQMDWSXSDQOE-HNNXBMFYSA-N 2 2 344.434 2.130 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000123530262 463349316 /nfs/dbraw/zinc/34/93/16/463349316.db2.gz AYVQMDWSXSDQOE-HNNXBMFYSA-N 2 2 344.434 2.130 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC23CCC3)CC1 ZINC000081563316 463460521 /nfs/dbraw/zinc/46/05/21/463460521.db2.gz XLETWHNAPQVWSZ-UHFFFAOYSA-N 2 2 327.472 2.268 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC23CCC3)CC1 ZINC000081563316 463460524 /nfs/dbraw/zinc/46/05/24/463460524.db2.gz XLETWHNAPQVWSZ-UHFFFAOYSA-N 2 2 327.472 2.268 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000057612235 463502371 /nfs/dbraw/zinc/50/23/71/463502371.db2.gz QVGLLWAXJVZKKZ-UHFFFAOYSA-N 2 2 333.480 2.163 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000057612235 463502377 /nfs/dbraw/zinc/50/23/77/463502377.db2.gz QVGLLWAXJVZKKZ-UHFFFAOYSA-N 2 2 333.480 2.163 10 0 EEAELP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000058433961 463598269 /nfs/dbraw/zinc/59/82/69/463598269.db2.gz OXEKEEPPQMGZKH-UHFFFAOYSA-N 2 2 338.459 2.329 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC([NH+](C)C)CC3)c2cc1C ZINC000193824563 463745236 /nfs/dbraw/zinc/74/52/36/463745236.db2.gz FUESWOGYCQHACC-QGZVFWFLSA-N 3 2 330.476 2.040 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000185296950 463797229 /nfs/dbraw/zinc/79/72/29/463797229.db2.gz UBDWAXLNRBNKJC-UHFFFAOYSA-N 2 2 333.480 2.165 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000269029850 463849975 /nfs/dbraw/zinc/84/99/75/463849975.db2.gz RYHVAICBLUKWPJ-SBHAEUEKSA-N 3 2 345.531 2.455 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000269029850 463849979 /nfs/dbraw/zinc/84/99/79/463849979.db2.gz RYHVAICBLUKWPJ-SBHAEUEKSA-N 3 2 345.531 2.455 10 0 EEAELP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000261861006 463881346 /nfs/dbraw/zinc/88/13/46/463881346.db2.gz CBRBXWKMXYSQFY-YRXWBPOGSA-N 2 2 347.503 2.472 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)N2CCCC2)o1 ZINC000261861006 463881351 /nfs/dbraw/zinc/88/13/51/463881351.db2.gz CBRBXWKMXYSQFY-YRXWBPOGSA-N 2 2 347.503 2.472 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)c1nnnn1-c1ccccc1 ZINC000178335600 463883415 /nfs/dbraw/zinc/88/34/15/463883415.db2.gz HWKXRSDQTIUAFQ-WMLDXEAASA-N 2 2 337.431 2.393 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1nnnn1-c1ccccc1 ZINC000178335600 463883420 /nfs/dbraw/zinc/88/34/20/463883420.db2.gz HWKXRSDQTIUAFQ-WMLDXEAASA-N 2 2 337.431 2.393 10 0 EEAELP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1F ZINC000261895745 463890868 /nfs/dbraw/zinc/89/08/68/463890868.db2.gz HCDDWEZUYFERSA-QXAKKESOSA-N 3 2 335.467 2.134 10 0 EEAELP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000261961656 463912132 /nfs/dbraw/zinc/91/21/32/463912132.db2.gz PRRNBRWLSXUUMC-BZUAXINKSA-N 2 2 337.851 2.025 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178754217 463964056 /nfs/dbraw/zinc/96/40/56/463964056.db2.gz YHLHCQUUZGYETO-OAHLLOKOSA-N 2 2 328.416 2.303 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178754217 463964064 /nfs/dbraw/zinc/96/40/64/463964064.db2.gz YHLHCQUUZGYETO-OAHLLOKOSA-N 2 2 328.416 2.303 10 0 EEAELP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)s1 ZINC000178883450 464003068 /nfs/dbraw/zinc/00/30/68/464003068.db2.gz IYEFOVOERGGGNW-XIRDDKMYSA-N 2 2 348.516 2.016 10 0 EEAELP O=C(c1ccccc1F)N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000179155849 464069998 /nfs/dbraw/zinc/06/99/98/464069998.db2.gz JNCIAZNQZUTQHE-UHFFFAOYSA-N 2 2 333.451 2.460 10 0 EEAELP O=C(c1ccccc1F)N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000179155849 464070001 /nfs/dbraw/zinc/07/00/01/464070001.db2.gz JNCIAZNQZUTQHE-UHFFFAOYSA-N 2 2 333.451 2.460 10 0 EEAELP C[C@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+]1CCCCCC1 ZINC000172424883 464078311 /nfs/dbraw/zinc/07/83/11/464078311.db2.gz YJHRWSGDXYSTLX-OAHLLOKOSA-N 2 2 327.432 2.148 10 0 EEAELP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@@H+]1CCO ZINC000187269828 464112420 /nfs/dbraw/zinc/11/24/20/464112420.db2.gz QIXBARCHIVLBGZ-OAHLLOKOSA-N 2 2 341.411 2.013 10 0 EEAELP C[C@@H]1CN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC[N@H+]1CCO ZINC000187269828 464112422 /nfs/dbraw/zinc/11/24/22/464112422.db2.gz QIXBARCHIVLBGZ-OAHLLOKOSA-N 2 2 341.411 2.013 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000179383324 464125694 /nfs/dbraw/zinc/12/56/94/464125694.db2.gz AXGXHWKXVHPJHC-SJORKVTESA-N 2 2 327.432 2.018 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000179383324 464125696 /nfs/dbraw/zinc/12/56/96/464125696.db2.gz AXGXHWKXVHPJHC-SJORKVTESA-N 2 2 327.432 2.018 10 0 EEAELP [NH3+]C[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000579687310 468395817 /nfs/dbraw/zinc/39/58/17/468395817.db2.gz SPISMNPSXALNHZ-ZDUSSCGKSA-N 2 2 337.493 2.332 10 0 EEAELP COC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000225415780 464158067 /nfs/dbraw/zinc/15/80/67/464158067.db2.gz JHILCBKPICJRBA-MAUKXSAKSA-N 2 2 346.475 2.112 10 0 EEAELP COC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000225415780 464158071 /nfs/dbraw/zinc/15/80/71/464158071.db2.gz JHILCBKPICJRBA-MAUKXSAKSA-N 2 2 346.475 2.112 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179714486 464177182 /nfs/dbraw/zinc/17/71/82/464177182.db2.gz FWWRHKXTZISCAO-HDICACEKSA-N 2 2 341.503 2.325 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179714486 464177187 /nfs/dbraw/zinc/17/71/87/464177187.db2.gz FWWRHKXTZISCAO-HDICACEKSA-N 2 2 341.503 2.325 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000180134191 464249406 /nfs/dbraw/zinc/24/94/06/464249406.db2.gz MGFZUORJYQURNX-MJGOQNOKSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000180134191 464249410 /nfs/dbraw/zinc/24/94/10/464249410.db2.gz MGFZUORJYQURNX-MJGOQNOKSA-N 2 2 347.422 2.443 10 0 EEAELP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@@H]1C ZINC000174949015 464472458 /nfs/dbraw/zinc/47/24/58/464472458.db2.gz RLIQCXUMFPABNC-IAGOWNOFSA-N 2 2 336.524 2.377 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cn2c1 ZINC000266745622 464807538 /nfs/dbraw/zinc/80/75/38/464807538.db2.gz NAUFCPWGJYDKAN-ZBFHGGJFSA-N 2 2 329.448 2.267 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cn2c1 ZINC000266745622 464807543 /nfs/dbraw/zinc/80/75/43/464807543.db2.gz NAUFCPWGJYDKAN-ZBFHGGJFSA-N 2 2 329.448 2.267 10 0 EEAELP CCn1nccc1CC[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000276311360 464885448 /nfs/dbraw/zinc/88/54/48/464885448.db2.gz MKWXXXLLLTVXRG-UHFFFAOYSA-N 2 2 342.491 2.490 10 0 EEAELP CCC(CC)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000177004384 464903696 /nfs/dbraw/zinc/90/36/96/464903696.db2.gz JKMVDYVWVBZZPT-QZTJIDSGSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1CC)[NH+]1CCOCC1 ZINC000177004384 464903700 /nfs/dbraw/zinc/90/37/00/464903700.db2.gz JKMVDYVWVBZZPT-QZTJIDSGSA-N 2 2 339.524 2.066 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(CO)cc2)CCC[NH+]1C ZINC000286668890 464999603 /nfs/dbraw/zinc/99/96/03/464999603.db2.gz GKLGCOAHISUCLA-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(CO)cc2)CCC[NH+]1C ZINC000286668890 464999608 /nfs/dbraw/zinc/99/96/08/464999608.db2.gz GKLGCOAHISUCLA-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc(CO)cc2)CCC[N@@H+]1C ZINC000286668890 464999614 /nfs/dbraw/zinc/99/96/14/464999614.db2.gz GKLGCOAHISUCLA-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2ccc(CO)cc2)CCC[N@H+]1C ZINC000286668890 464999620 /nfs/dbraw/zinc/99/96/20/464999620.db2.gz GKLGCOAHISUCLA-AZUAARDMSA-N 2 2 342.487 2.427 10 0 EEAELP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000352082183 465472801 /nfs/dbraw/zinc/47/28/01/465472801.db2.gz IGGQTJGNWLXJTI-SQNIBIBYSA-N 2 2 337.895 2.130 10 0 EEAELP CN1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000352082183 465472812 /nfs/dbraw/zinc/47/28/12/465472812.db2.gz IGGQTJGNWLXJTI-SQNIBIBYSA-N 2 2 337.895 2.130 10 0 EEAELP C[N@@H+](C[C@H](O)CN[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082183 465472829 /nfs/dbraw/zinc/47/28/29/465472829.db2.gz IGGQTJGNWLXJTI-SQNIBIBYSA-N 2 2 337.895 2.130 10 0 EEAELP C[NH+](C[C@H](O)CN[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082183 465472835 /nfs/dbraw/zinc/47/28/35/465472835.db2.gz IGGQTJGNWLXJTI-SQNIBIBYSA-N 2 2 337.895 2.130 10 0 EEAELP C[NH+](C[C@H](O)CN[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C1CC1 ZINC000352082183 465472844 /nfs/dbraw/zinc/47/28/44/465472844.db2.gz IGGQTJGNWLXJTI-SQNIBIBYSA-N 2 2 337.895 2.130 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@H+](C)C2CCN(c3cnccn3)CC2)s1 ZINC000348354386 465563483 /nfs/dbraw/zinc/56/34/83/465563483.db2.gz JOUGOFGBCGHCIO-UHFFFAOYSA-N 2 2 346.504 2.096 10 0 EEAELP C[NH+](C)Cc1cnc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)s1 ZINC000348354386 465563484 /nfs/dbraw/zinc/56/34/84/465563484.db2.gz JOUGOFGBCGHCIO-UHFFFAOYSA-N 2 2 346.504 2.096 10 0 EEAELP CCCn1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000344519601 465638110 /nfs/dbraw/zinc/63/81/10/465638110.db2.gz GBJAKXCJULQFKO-IBGZPJMESA-N 2 2 328.460 2.020 10 0 EEAELP CCCn1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000344519601 465638119 /nfs/dbraw/zinc/63/81/19/465638119.db2.gz GBJAKXCJULQFKO-IBGZPJMESA-N 2 2 328.460 2.020 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000366534769 465786688 /nfs/dbraw/zinc/78/66/88/465786688.db2.gz LVSVGTXNGZNVID-LIRRHRJNSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000366534769 465786693 /nfs/dbraw/zinc/78/66/93/465786693.db2.gz LVSVGTXNGZNVID-LIRRHRJNSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000366534769 465786702 /nfs/dbraw/zinc/78/67/02/465786702.db2.gz LVSVGTXNGZNVID-LIRRHRJNSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000366534769 465786711 /nfs/dbraw/zinc/78/67/11/465786711.db2.gz LVSVGTXNGZNVID-LIRRHRJNSA-N 2 2 347.459 2.058 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1C(=O)OC(C)(C)C ZINC000580074981 468462886 /nfs/dbraw/zinc/46/28/86/468462886.db2.gz PWLAWXJSWHYWRR-UKRRQHHQSA-N 2 2 336.480 2.286 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@H]1C(=O)OC(C)(C)C ZINC000580074981 468462892 /nfs/dbraw/zinc/46/28/92/468462892.db2.gz PWLAWXJSWHYWRR-UKRRQHHQSA-N 2 2 336.480 2.286 10 0 EEAELP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(-n3cc[nH+]c3)c2)[C@@H]1C ZINC000366831211 465959325 /nfs/dbraw/zinc/95/93/25/465959325.db2.gz UKOOVTWGHYEIMS-VNQPRFMTSA-N 2 2 328.416 2.335 10 0 EEAELP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000346235249 466015256 /nfs/dbraw/zinc/01/52/56/466015256.db2.gz DQPUCMGZJTWYBD-IBGZPJMESA-N 4 2 344.507 2.183 10 0 EEAELP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000346235249 466015259 /nfs/dbraw/zinc/01/52/59/466015259.db2.gz DQPUCMGZJTWYBD-IBGZPJMESA-N 4 2 344.507 2.183 10 0 EEAELP Cc1[nH+]ccn1CC[NH+](C)[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC000346235249 466015262 /nfs/dbraw/zinc/01/52/62/466015262.db2.gz DQPUCMGZJTWYBD-IBGZPJMESA-N 4 2 344.507 2.183 10 0 EEAELP COC[C@@H](O)C[NH+]1CCC(Nc2[nH+]c3ccccc3cc2C)CC1 ZINC000301868107 466050176 /nfs/dbraw/zinc/05/01/76/466050176.db2.gz IQUVBTKLQWNGKL-KRWDZBQOSA-N 2 2 329.444 2.427 10 0 EEAELP c1cn(CCN2CC[N@H+](CCn3cc[nH+]c3)CC23CCCCC3)c[nH+]1 ZINC000367111278 466137751 /nfs/dbraw/zinc/13/77/51/466137751.db2.gz VMXROYVZVWBYDT-UHFFFAOYSA-N 3 2 342.491 2.100 10 0 EEAELP c1cn(CCN2CC[N@@H+](CCn3cc[nH+]c3)CC23CCCCC3)c[nH+]1 ZINC000367111278 466137755 /nfs/dbraw/zinc/13/77/55/466137755.db2.gz VMXROYVZVWBYDT-UHFFFAOYSA-N 3 2 342.491 2.100 10 0 EEAELP C[C@H](C[NH+]1CCCCCC1)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000302475118 466143138 /nfs/dbraw/zinc/14/31/38/466143138.db2.gz XEASBCRHZWYYRW-CVEARBPZSA-N 2 2 333.480 2.114 10 0 EEAELP CCOc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)ccc1O ZINC000340566436 466174781 /nfs/dbraw/zinc/17/47/81/466174781.db2.gz ACLDWBUVODXOIA-SFHVURJKSA-N 2 2 347.503 2.393 10 0 EEAELP CCOc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)ccc1O ZINC000340566436 466174789 /nfs/dbraw/zinc/17/47/89/466174789.db2.gz ACLDWBUVODXOIA-SFHVURJKSA-N 2 2 347.503 2.393 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H]1C ZINC000361750475 466257252 /nfs/dbraw/zinc/25/72/52/466257252.db2.gz NTDMWXYIEULDTB-ZBFHGGJFSA-N 2 2 333.480 2.162 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)C[C@H]1C ZINC000361750475 466257256 /nfs/dbraw/zinc/25/72/56/466257256.db2.gz NTDMWXYIEULDTB-ZBFHGGJFSA-N 2 2 333.480 2.162 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000361825892 466324847 /nfs/dbraw/zinc/32/48/47/466324847.db2.gz PGQRPRXXFTXYMF-HNNXBMFYSA-N 2 2 333.457 2.047 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000361825892 466324850 /nfs/dbraw/zinc/32/48/50/466324850.db2.gz PGQRPRXXFTXYMF-HNNXBMFYSA-N 2 2 333.457 2.047 10 0 EEAELP CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000358087627 466443951 /nfs/dbraw/zinc/44/39/51/466443951.db2.gz OYPILLZHDOYRTR-DNVCBOLYSA-N 2 2 345.487 2.230 10 0 EEAELP CCOc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000358087627 466443958 /nfs/dbraw/zinc/44/39/58/466443958.db2.gz OYPILLZHDOYRTR-DNVCBOLYSA-N 2 2 345.487 2.230 10 0 EEAELP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422916053 466686524 /nfs/dbraw/zinc/68/65/24/466686524.db2.gz ZQOXAMKTYHDVIN-UXHICEINSA-N 3 2 331.504 2.383 10 0 EEAELP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422916053 466686531 /nfs/dbraw/zinc/68/65/31/466686531.db2.gz ZQOXAMKTYHDVIN-UXHICEINSA-N 3 2 331.504 2.383 10 0 EEAELP COCC1(C[NH2+][C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC[NH2+]CC1 ZINC000423405927 466740759 /nfs/dbraw/zinc/74/07/59/466740759.db2.gz JVKRXYUCELRCSV-OALUTQOASA-N 3 2 347.503 2.094 10 0 EEAELP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H]1C[NH2+]CCO1 ZINC000662252245 472042395 /nfs/dbraw/zinc/04/23/95/472042395.db2.gz NGWDXSNADCARAQ-QGZVFWFLSA-N 2 2 332.423 2.069 10 0 EEAELP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H]1C[NH2+]CCO1 ZINC000662252245 472042399 /nfs/dbraw/zinc/04/23/99/472042399.db2.gz NGWDXSNADCARAQ-QGZVFWFLSA-N 2 2 332.423 2.069 10 0 EEAELP CCCC[C@@H](C[NH3+])NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417077341 466772477 /nfs/dbraw/zinc/77/24/77/466772477.db2.gz PGCIUURQJGLAOH-KRWDZBQOSA-N 2 2 329.448 2.248 10 0 EEAELP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417078782 466773084 /nfs/dbraw/zinc/77/30/84/466773084.db2.gz QKTRKNDDYXJZEY-CRAIPNDOSA-N 2 2 341.459 2.343 10 0 EEAELP CN(C(=O)c1cc[nH]c1C1CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375053831 466787128 /nfs/dbraw/zinc/78/71/28/466787128.db2.gz ZTTHPUCBYBVHBA-MRXNPFEDSA-N 2 2 330.476 2.133 10 0 EEAELP CN(C(=O)c1cc[nH]c1C1CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375053831 466787133 /nfs/dbraw/zinc/78/71/33/466787133.db2.gz ZTTHPUCBYBVHBA-MRXNPFEDSA-N 2 2 330.476 2.133 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C2)CC1 ZINC000373527387 466834588 /nfs/dbraw/zinc/83/45/88/466834588.db2.gz HGKKZHLRVCWNBF-GFCCVEGCSA-N 2 2 335.414 2.250 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CC(C)(C)C(F)(F)F)C2)CC1 ZINC000373527387 466834591 /nfs/dbraw/zinc/83/45/91/466834591.db2.gz HGKKZHLRVCWNBF-GFCCVEGCSA-N 2 2 335.414 2.250 10 0 EEAELP OC1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)Cc2ccccc2C1 ZINC000370620116 466942487 /nfs/dbraw/zinc/94/24/87/466942487.db2.gz KVQRFCYNDGJWEB-UHFFFAOYSA-N 2 2 337.467 2.166 10 0 EEAELP CCCCCCOCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370831504 467019749 /nfs/dbraw/zinc/01/97/49/467019749.db2.gz VHTIIHUHBCOVNE-SFHVURJKSA-N 2 2 339.524 2.210 10 0 EEAELP CCCCCCOCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370831504 467019754 /nfs/dbraw/zinc/01/97/54/467019754.db2.gz VHTIIHUHBCOVNE-SFHVURJKSA-N 2 2 339.524 2.210 10 0 EEAELP CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366085425 467054551 /nfs/dbraw/zinc/05/45/51/467054551.db2.gz HXTHGQUVWAEVKS-CQSZACIVSA-N 2 2 333.480 2.030 10 0 EEAELP CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366085425 467054553 /nfs/dbraw/zinc/05/45/53/467054553.db2.gz HXTHGQUVWAEVKS-CQSZACIVSA-N 2 2 333.480 2.030 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429020725 467292924 /nfs/dbraw/zinc/29/29/24/467292924.db2.gz NVSSZBYJNFUYME-OXJNMPFZSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429020725 467292928 /nfs/dbraw/zinc/29/29/28/467292928.db2.gz NVSSZBYJNFUYME-OXJNMPFZSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429020725 467292931 /nfs/dbraw/zinc/29/29/31/467292931.db2.gz NVSSZBYJNFUYME-OXJNMPFZSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429020725 467292934 /nfs/dbraw/zinc/29/29/34/467292934.db2.gz NVSSZBYJNFUYME-OXJNMPFZSA-N 2 2 345.487 2.242 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379656955 467369666 /nfs/dbraw/zinc/36/96/66/467369666.db2.gz QXSQXLVSJRXSLJ-YZGWKJHDSA-N 2 2 331.504 2.398 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390138 467391860 /nfs/dbraw/zinc/39/18/60/467391860.db2.gz YAKWPUZMEUTHHP-PXNSSMCTSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390138 467391862 /nfs/dbraw/zinc/39/18/62/467391862.db2.gz YAKWPUZMEUTHHP-PXNSSMCTSA-N 2 2 329.488 2.417 10 0 EEAELP CCc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000414254149 467394527 /nfs/dbraw/zinc/39/45/27/467394527.db2.gz IXYBDOWUVVWYOV-UHFFFAOYSA-N 2 2 326.444 2.161 10 0 EEAELP COc1cccc(N2CC[C@H](C[NH2+]Cc3c[nH+]c(N(C)C)n3C)C2)c1 ZINC000414330889 467403990 /nfs/dbraw/zinc/40/39/90/467403990.db2.gz CJQSMJMXCLSKTO-OAHLLOKOSA-N 2 2 343.475 2.111 10 0 EEAELP COCCN1CC[C@H]([NH2+]C[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000397928921 467444975 /nfs/dbraw/zinc/44/49/75/467444975.db2.gz CQDZKNYDYSBNOL-VQTJNVASSA-N 2 2 331.504 2.351 10 0 EEAELP COCCN1CC[C@H]([NH2+]C[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000397928921 467444980 /nfs/dbraw/zinc/44/49/80/467444980.db2.gz CQDZKNYDYSBNOL-VQTJNVASSA-N 2 2 331.504 2.351 10 0 EEAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449391028 467636484 /nfs/dbraw/zinc/63/64/84/467636484.db2.gz HKZGLLSAEOUZBD-DLBZAZTESA-N 2 2 333.476 2.149 10 0 EEAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449391028 467636485 /nfs/dbraw/zinc/63/64/85/467636485.db2.gz HKZGLLSAEOUZBD-DLBZAZTESA-N 2 2 333.476 2.149 10 0 EEAELP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393099 467636791 /nfs/dbraw/zinc/63/67/91/467636791.db2.gz AWCDEXYBDFVYDU-QGZVFWFLSA-N 2 2 328.460 2.117 10 0 EEAELP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393099 467636792 /nfs/dbraw/zinc/63/67/92/467636792.db2.gz AWCDEXYBDFVYDU-QGZVFWFLSA-N 2 2 328.460 2.117 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000529291659 467840608 /nfs/dbraw/zinc/84/06/08/467840608.db2.gz QJUYXJKFNWWDOQ-CVEARBPZSA-N 2 2 339.443 2.093 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccc2c(c1)[nH+]c(C)n2[C@H](C)CO ZINC000529468576 467867933 /nfs/dbraw/zinc/86/79/33/467867933.db2.gz OCJUYXMOYBSCKN-GFCCVEGCSA-N 2 2 327.388 2.042 10 0 EEAELP C[C@H](c1nnnn1C1CC1)[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000515027773 467968997 /nfs/dbraw/zinc/96/89/97/467968997.db2.gz AQUMRMQKJSZKQM-TZMCWYRMSA-N 2 2 327.436 2.091 10 0 EEAELP C[C@H](c1nnnn1C1CC1)[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000515027773 467969000 /nfs/dbraw/zinc/96/90/00/467969000.db2.gz AQUMRMQKJSZKQM-TZMCWYRMSA-N 2 2 327.436 2.091 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)n1-c1ccccc1 ZINC000515174351 467976915 /nfs/dbraw/zinc/97/69/15/467976915.db2.gz GERPCLCMASKUEE-MAUKXSAKSA-N 2 2 331.460 2.428 10 0 EEAELP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000517060909 468068749 /nfs/dbraw/zinc/06/87/49/468068749.db2.gz PMQMGOKDRRLUQA-TZMCWYRMSA-N 2 2 328.416 2.283 10 0 EEAELP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000517060909 468068753 /nfs/dbraw/zinc/06/87/53/468068753.db2.gz PMQMGOKDRRLUQA-TZMCWYRMSA-N 2 2 328.416 2.283 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000518396715 468114387 /nfs/dbraw/zinc/11/43/87/468114387.db2.gz HSACYBVCEJULOF-ZWKOTPCHSA-N 2 2 327.472 2.061 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000518396715 468114389 /nfs/dbraw/zinc/11/43/89/468114389.db2.gz HSACYBVCEJULOF-ZWKOTPCHSA-N 2 2 327.472 2.061 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000533084954 468168523 /nfs/dbraw/zinc/16/85/23/468168523.db2.gz FYYDCLOETCPKAA-AEFFLSMTSA-N 2 2 326.444 2.309 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC000533084954 468168528 /nfs/dbraw/zinc/16/85/28/468168528.db2.gz FYYDCLOETCPKAA-AEFFLSMTSA-N 2 2 326.444 2.309 10 0 EEAELP CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000520719202 468266587 /nfs/dbraw/zinc/26/65/87/468266587.db2.gz SJIVKLLPKGZMNG-HNNXBMFYSA-N 2 2 339.486 2.333 10 0 EEAELP CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000520719202 468266594 /nfs/dbraw/zinc/26/65/94/468266594.db2.gz SJIVKLLPKGZMNG-HNNXBMFYSA-N 2 2 339.486 2.333 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1 ZINC000558656130 468699705 /nfs/dbraw/zinc/69/97/05/468699705.db2.gz XBHMHORWWXRPRV-CXAGYDPISA-N 2 2 330.407 2.107 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C1 ZINC000558656130 468699707 /nfs/dbraw/zinc/69/97/07/468699707.db2.gz XBHMHORWWXRPRV-CXAGYDPISA-N 2 2 330.407 2.107 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1C ZINC000594923298 468722497 /nfs/dbraw/zinc/72/24/97/468722497.db2.gz IKIHRPQDJDBCTD-USXIJHARSA-N 2 2 331.460 2.356 10 0 EEAELP C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cn2cc[nH+]c2)C[C@H](C)O1 ZINC000571014432 468725643 /nfs/dbraw/zinc/72/56/43/468725643.db2.gz VTULMPWWXMZAJZ-GJZGRUSLSA-N 2 2 328.416 2.131 10 0 EEAELP CC[C@H]1C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000559343088 468738717 /nfs/dbraw/zinc/73/87/17/468738717.db2.gz QGXLRKJQERUJDI-DBVUQKKJSA-N 2 2 332.488 2.200 10 0 EEAELP CC[C@H]1C[C@@H](C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCO1 ZINC000559343088 468738721 /nfs/dbraw/zinc/73/87/21/468738721.db2.gz QGXLRKJQERUJDI-DBVUQKKJSA-N 2 2 332.488 2.200 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571404157 468784222 /nfs/dbraw/zinc/78/42/22/468784222.db2.gz KJGVSVGPNDXEFY-UZLBHIALSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571404157 468784224 /nfs/dbraw/zinc/78/42/24/468784224.db2.gz KJGVSVGPNDXEFY-UZLBHIALSA-N 2 2 327.472 2.035 10 0 EEAELP C/C=C\c1ccc(OC[C@H](O)C[NH2+]CCc2cn(C)c[nH+]2)c(OC)c1 ZINC000584524765 468891767 /nfs/dbraw/zinc/89/17/67/468891767.db2.gz HZXILEYJCNOVEQ-VGOKWCNXSA-N 2 2 345.443 2.034 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000593667023 469085046 /nfs/dbraw/zinc/08/50/46/469085046.db2.gz RKYZTBXIKVBISJ-IBGZPJMESA-N 2 2 338.492 2.199 10 0 EEAELP CC1CC[NH+](CCCNC(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000588921731 469180275 /nfs/dbraw/zinc/18/02/75/469180275.db2.gz WAZGKOSOPFAELH-UHFFFAOYSA-N 2 2 333.480 2.141 10 0 EEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588973662 469184008 /nfs/dbraw/zinc/18/40/08/469184008.db2.gz LKARGALFNRPGCD-OWCLPIDISA-N 2 2 347.507 2.385 10 0 EEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588973662 469184014 /nfs/dbraw/zinc/18/40/14/469184014.db2.gz LKARGALFNRPGCD-OWCLPIDISA-N 2 2 347.507 2.385 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2cn3c([nH+]2)CCCC3)C1 ZINC000588969352 469184191 /nfs/dbraw/zinc/18/41/91/469184191.db2.gz GQJWSFLVZJMRQE-HOTGVXAUSA-N 2 2 347.507 2.387 10 0 EEAELP Cc1nc(N(C)C)nc(NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)[nH+]1 ZINC000574523234 469275715 /nfs/dbraw/zinc/27/57/15/469275715.db2.gz OSDCVKUTDXOLDR-CQSZACIVSA-N 2 2 348.882 2.657 10 0 EEAELP Cc1nc(NC[C@H](C[NH+](C)C)c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000574523234 469275721 /nfs/dbraw/zinc/27/57/21/469275721.db2.gz OSDCVKUTDXOLDR-CQSZACIVSA-N 2 2 348.882 2.657 10 0 EEAELP OC[C@]1([NH2+]Cc2c[nH+]c[nH]2)CCc2cc(Br)ccc2C1 ZINC000625797428 469390593 /nfs/dbraw/zinc/39/05/93/469390593.db2.gz VWYWXMVGHBJWPJ-HNNXBMFYSA-N 2 2 336.233 2.182 10 0 EEAELP CCO[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)C ZINC000625856137 469412355 /nfs/dbraw/zinc/41/23/55/469412355.db2.gz FSEXKHQOEUEEAO-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)Cc3ccco3)CC2)CC1 ZINC000616381463 469435360 /nfs/dbraw/zinc/43/53/60/469435360.db2.gz QWUZPYBFYQIHQL-QGZVFWFLSA-N 2 2 347.503 2.477 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)Cc3ccco3)CC2)CC1 ZINC000616381463 469435366 /nfs/dbraw/zinc/43/53/66/469435366.db2.gz QWUZPYBFYQIHQL-QGZVFWFLSA-N 2 2 347.503 2.477 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3C[C@@H]4CCC[C@]4(CO)C3)c2cc1C ZINC000626012974 469469724 /nfs/dbraw/zinc/46/97/24/469469724.db2.gz NYUKZDIGDCXNBU-ABSDTBQOSA-N 2 2 343.471 2.108 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3C[C@@H]4CCC[C@]4(CO)C3)c2cc1C ZINC000626012974 469469727 /nfs/dbraw/zinc/46/97/27/469469727.db2.gz NYUKZDIGDCXNBU-ABSDTBQOSA-N 2 2 343.471 2.108 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000626164357 469525352 /nfs/dbraw/zinc/52/53/52/469525352.db2.gz BZWOAZPDEUQZGA-MRXNPFEDSA-N 2 2 330.476 2.231 10 0 EEAELP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000629393903 469529625 /nfs/dbraw/zinc/52/96/25/469529625.db2.gz DRBHMDGPFPRWPG-DOMZBBRYSA-N 2 2 328.416 2.078 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2([NH3+])CCOCC2)CC1 ZINC000629519894 469571773 /nfs/dbraw/zinc/57/17/73/469571773.db2.gz INKYFDOFXLRUCU-KRWDZBQOSA-N 3 2 331.504 2.180 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@@H+]1C ZINC000608656994 469855218 /nfs/dbraw/zinc/85/52/18/469855218.db2.gz SCFNYZOQFAAKKL-MAUKXSAKSA-N 2 2 330.476 2.126 10 0 EEAELP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@H+]1C ZINC000608656994 469855220 /nfs/dbraw/zinc/85/52/20/469855220.db2.gz SCFNYZOQFAAKKL-MAUKXSAKSA-N 2 2 330.476 2.126 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000620621889 469876971 /nfs/dbraw/zinc/87/69/71/469876971.db2.gz YWUOZOSZLQZIGC-HZPDHXFCSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](CC)[NH+]1CCO[C@H](CC)C1 ZINC000620621889 469876974 /nfs/dbraw/zinc/87/69/74/469876974.db2.gz YWUOZOSZLQZIGC-HZPDHXFCSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](CC)[N@@H+]1CCO[C@H](CC)C1 ZINC000620621889 469876975 /nfs/dbraw/zinc/87/69/75/469876975.db2.gz YWUOZOSZLQZIGC-HZPDHXFCSA-N 2 2 327.513 2.112 10 0 EEAELP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](CC)[N@H+]1CCO[C@H](CC)C1 ZINC000620621889 469876978 /nfs/dbraw/zinc/87/69/78/469876978.db2.gz YWUOZOSZLQZIGC-HZPDHXFCSA-N 2 2 327.513 2.112 10 0 EEAELP c1ccc2c(NC[C@H]3C[N@@H+](Cc4ccncc4)CCO3)cc[nH+]c2c1 ZINC000624706591 470005926 /nfs/dbraw/zinc/00/59/26/470005926.db2.gz NTJLBUHMMLRKIA-KRWDZBQOSA-N 2 2 334.423 2.365 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)CC2 ZINC000625190631 470092298 /nfs/dbraw/zinc/09/22/98/470092298.db2.gz CDVPXYBNIRLMMF-DLBZAZTESA-N 2 2 330.476 2.231 10 0 EEAELP 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COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657345879 471107108 /nfs/dbraw/zinc/10/71/08/471107108.db2.gz SROGUJVIYPJAKS-PKOBYXMFSA-N 2 2 334.460 2.055 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657345879 471107111 /nfs/dbraw/zinc/10/71/11/471107111.db2.gz SROGUJVIYPJAKS-PKOBYXMFSA-N 2 2 334.460 2.055 10 0 EEAELP Cn1cc[nH+]c1[C@@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccccc1 ZINC000645104681 471138912 /nfs/dbraw/zinc/13/89/12/471138912.db2.gz VKFZTYDVHMJCFY-INIZCTEOSA-N 2 2 334.427 2.295 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)Cc2cn3c([nH+]2)CCCC3)ccc1F ZINC000651346357 471139230 /nfs/dbraw/zinc/13/92/30/471139230.db2.gz SQIUGYFJGDHWAN-UHFFFAOYSA-N 2 2 344.434 2.279 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCCOC1 ZINC000658345141 471290952 /nfs/dbraw/zinc/29/09/52/471290952.db2.gz ZLDNBWSBDZPIBT-IHPCNDPISA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCCOC1 ZINC000658345141 471290954 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CCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CC[N@H+](CC)C1 ZINC000663958020 471589792 /nfs/dbraw/zinc/58/97/92/471589792.db2.gz AMNPQORPBWDFKD-GFCCVEGCSA-N 2 2 347.385 2.071 10 0 EEAELP CCN(C(=O)NCc1[nH+]ccn1CC(F)(F)F)[C@@H]1CC[N@@H+](CC)C1 ZINC000663958020 471589795 /nfs/dbraw/zinc/58/97/95/471589795.db2.gz AMNPQORPBWDFKD-GFCCVEGCSA-N 2 2 347.385 2.071 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccon1 ZINC000669694813 471593614 /nfs/dbraw/zinc/59/36/14/471593614.db2.gz NUYILEYEXUHVDC-CYBMUJFWSA-N 2 2 329.404 2.026 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)Nc1ccon1 ZINC000669694813 471593620 /nfs/dbraw/zinc/59/36/20/471593620.db2.gz NUYILEYEXUHVDC-CYBMUJFWSA-N 2 2 329.404 2.026 10 0 EEAELP Cc1nc(N2CCC[C@H]3C[N@@H+](C)C[C@H]32)c(Br)c(C)[nH+]1 ZINC000664036149 471617879 /nfs/dbraw/zinc/61/78/79/471617879.db2.gz MUKYTSCAUMFXAJ-NWDGAFQWSA-N 2 2 325.254 2.386 10 0 EEAELP Cc1nc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c(Br)c(C)[nH+]1 ZINC000664036149 471617886 /nfs/dbraw/zinc/61/78/86/471617886.db2.gz MUKYTSCAUMFXAJ-NWDGAFQWSA-N 2 2 325.254 2.386 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000661399647 471741884 /nfs/dbraw/zinc/74/18/84/471741884.db2.gz LPYDINVDNFAKJS-OAHLLOKOSA-N 2 2 333.480 2.446 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCCCCNc1cccc[nH+]1 ZINC000661399647 471741886 /nfs/dbraw/zinc/74/18/86/471741886.db2.gz LPYDINVDNFAKJS-OAHLLOKOSA-N 2 2 333.480 2.446 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659908435 471789225 /nfs/dbraw/zinc/78/92/25/471789225.db2.gz FPJSRHDDLUKHBE-GOSISDBHSA-N 2 2 339.487 2.232 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659908435 471789230 /nfs/dbraw/zinc/78/92/30/471789230.db2.gz FPJSRHDDLUKHBE-GOSISDBHSA-N 2 2 339.487 2.232 10 0 EEAELP CCCNC(=O)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667494088 471799868 /nfs/dbraw/zinc/79/98/68/471799868.db2.gz MKCJAULRRQBJGZ-UHFFFAOYSA-N 2 2 327.432 2.006 10 0 EEAELP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000667710181 471875804 /nfs/dbraw/zinc/87/58/04/471875804.db2.gz XYPNUAWVYDXQQC-KURKYZTESA-N 2 2 328.416 2.036 10 0 EEAELP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)[C@@H]2C1 ZINC000667710181 471875807 /nfs/dbraw/zinc/87/58/07/471875807.db2.gz XYPNUAWVYDXQQC-KURKYZTESA-N 2 2 328.416 2.036 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000654362783 471928979 /nfs/dbraw/zinc/92/89/79/471928979.db2.gz AXULYHRLTQUHIJ-CALCHBBNSA-N 2 2 345.491 2.211 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[NH+]2CCCC2)o1 ZINC000667862780 471929649 /nfs/dbraw/zinc/92/96/49/471929649.db2.gz DUTGWCBLCQZXTA-WMLDXEAASA-N 2 2 342.443 2.369 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[NH+]2CCCC2)o1 ZINC000667862780 471929651 /nfs/dbraw/zinc/92/96/51/471929651.db2.gz DUTGWCBLCQZXTA-WMLDXEAASA-N 2 2 342.443 2.369 10 0 EEAELP Cc1cccn2c(NC(=O)Nc3ccn(CC[NH+](C)C)n3)c[nH+]c12 ZINC000667955160 471961503 /nfs/dbraw/zinc/96/15/03/471961503.db2.gz RMIXCWOEBHTCBJ-UHFFFAOYSA-N 2 2 327.392 2.045 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1[nH+]ccn1C ZINC000662098783 471986224 /nfs/dbraw/zinc/98/62/24/471986224.db2.gz AJFFWOYARBVVOO-INIZCTEOSA-N 2 2 341.459 2.051 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](C)c3[nH+]ccn3C)CC2)c1 ZINC000662101638 471986894 /nfs/dbraw/zinc/98/68/94/471986894.db2.gz UDUGUEUSNVXCPS-MRXNPFEDSA-N 2 2 341.459 2.317 10 0 EEAELP c1cc(C[NH+]2CCC(Oc3cnccn3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668076331 471999896 /nfs/dbraw/zinc/99/98/96/471999896.db2.gz MABMLZLKEMRUDG-UHFFFAOYSA-N 2 2 336.399 2.101 10 0 EEAELP Brc1ccc2c(c1)CC[N@@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662278713 472052650 /nfs/dbraw/zinc/05/26/50/472052650.db2.gz LADFXDOWVXUQMQ-OAHLLOKOSA-N 2 2 337.261 2.328 10 0 EEAELP Brc1ccc2c(c1)CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662278713 472052658 /nfs/dbraw/zinc/05/26/58/472052658.db2.gz LADFXDOWVXUQMQ-OAHLLOKOSA-N 2 2 337.261 2.328 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317515 472067796 /nfs/dbraw/zinc/06/77/96/472067796.db2.gz QQCJDDBFLCMDGC-KZNAEPCWSA-N 2 2 339.524 2.209 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317515 472067801 /nfs/dbraw/zinc/06/78/01/472067801.db2.gz QQCJDDBFLCMDGC-KZNAEPCWSA-N 2 2 339.524 2.209 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC3CC2(C)C3)CC1 ZINC000662381475 472092996 /nfs/dbraw/zinc/09/29/96/472092996.db2.gz SXOKDHBMGTXJRP-UHFFFAOYSA-N 2 2 327.472 2.124 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC3CC2(C)C3)CC1 ZINC000662381475 472093000 /nfs/dbraw/zinc/09/30/00/472093000.db2.gz SXOKDHBMGTXJRP-UHFFFAOYSA-N 2 2 327.472 2.124 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(OC(F)F)c1 ZINC000665560503 472094379 /nfs/dbraw/zinc/09/43/79/472094379.db2.gz PIVMPBZPXNJDNH-UHFFFAOYSA-N 2 2 344.406 2.293 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(OC(F)F)c1 ZINC000665560503 472094383 /nfs/dbraw/zinc/09/43/83/472094383.db2.gz PIVMPBZPXNJDNH-UHFFFAOYSA-N 2 2 344.406 2.293 10 0 EEAELP C[NH2+][C@H](C(=O)N1CC[NH2+]C[C@](C)(F)C1)c1cccc(Cl)c1Cl ZINC000662568025 472156813 /nfs/dbraw/zinc/15/68/13/472156813.db2.gz PBDLJYUSUQKFGH-ZFWWWQNUSA-N 2 2 348.249 2.414 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@@H+]1C ZINC000679042433 485573134 /nfs/dbraw/zinc/57/31/34/485573134.db2.gz BNGOKTZMYITGOK-MISYRCLQSA-N 2 2 331.504 2.086 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@]2(CO)CCCN(Cc3ccccc3)C2)CC[N@H+]1C ZINC000679042433 485573139 /nfs/dbraw/zinc/57/31/39/485573139.db2.gz BNGOKTZMYITGOK-MISYRCLQSA-N 2 2 331.504 2.086 10 0 EEAELP Cc1cccn2c(C[NH2+][C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)c[nH+]c12 ZINC000583616651 485580659 /nfs/dbraw/zinc/58/06/59/485580659.db2.gz YHWFWXSPYMYMBJ-AEFFLSMTSA-N 2 2 335.411 2.099 10 0 EEAELP CCc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC000677373756 486424513 /nfs/dbraw/zinc/42/45/13/486424513.db2.gz IVCSPMMGBNIHOQ-YIONKMFJSA-N 2 2 347.463 2.012 10 0 EEAELP CCc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)no1 ZINC000677373756 486424517 /nfs/dbraw/zinc/42/45/17/486424517.db2.gz IVCSPMMGBNIHOQ-YIONKMFJSA-N 2 2 347.463 2.012 10 0 EEAELP CC(C)(C)c1ccc(CCNC(=O)C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422636135 535115963 /nfs/dbraw/zinc/11/59/63/535115963.db2.gz MNKZSBSGFPITBB-UHFFFAOYSA-N 2 2 343.515 2.471 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(O)c3)CC2)CC1 ZINC000422013208 535464085 /nfs/dbraw/zinc/46/40/85/535464085.db2.gz WZFPHQRQUBBOEA-UHFFFAOYSA-N 2 2 331.460 2.024 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(O)c3)CC2)CC1 ZINC000422013208 535464089 /nfs/dbraw/zinc/46/40/89/535464089.db2.gz WZFPHQRQUBBOEA-UHFFFAOYSA-N 2 2 331.460 2.024 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000451260521 535955928 /nfs/dbraw/zinc/95/59/28/535955928.db2.gz DLUAXTNCARACJP-VAMGGRTRSA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000451260521 535955936 /nfs/dbraw/zinc/95/59/36/535955936.db2.gz DLUAXTNCARACJP-VAMGGRTRSA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000451260521 535955939 /nfs/dbraw/zinc/95/59/39/535955939.db2.gz DLUAXTNCARACJP-VAMGGRTRSA-N 2 2 332.488 2.370 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[NH+]1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000451260521 535955942 /nfs/dbraw/zinc/95/59/42/535955942.db2.gz DLUAXTNCARACJP-VAMGGRTRSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000764492239 577737386 /nfs/dbraw/zinc/73/73/86/577737386.db2.gz APOGCMSSQPTZGE-MRXNPFEDSA-N 2 2 327.432 2.148 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000764492239 577737387 /nfs/dbraw/zinc/73/73/87/577737387.db2.gz APOGCMSSQPTZGE-MRXNPFEDSA-N 2 2 327.432 2.148 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001485508460 1191819713 /nfs/dbraw/zinc/81/97/13/1191819713.db2.gz FPPVPHXFROISAA-AUUYWEPGSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001485508460 1191819715 /nfs/dbraw/zinc/81/97/15/1191819715.db2.gz FPPVPHXFROISAA-AUUYWEPGSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](CCc2ccc(Cl)cc2)C1 ZINC001485539522 1191828175 /nfs/dbraw/zinc/82/81/75/1191828175.db2.gz OYOOFAHNROTLKP-AWEZNQCLSA-N 2 2 346.862 2.216 10 0 EEAELP Cc1conc1C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485586400 1191850600 /nfs/dbraw/zinc/85/06/00/1191850600.db2.gz PZTWWAXITASVRA-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485586400 1191850601 /nfs/dbraw/zinc/85/06/01/1191850601.db2.gz PZTWWAXITASVRA-QGZVFWFLSA-N 2 2 348.491 2.186 10 0 EEAELP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001266381279 1176451435 /nfs/dbraw/zinc/45/14/35/1176451435.db2.gz YXORNAFUNVFXPZ-QGZVFWFLSA-N 2 2 330.476 2.290 10 0 EEAELP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001671337845 1176864270 /nfs/dbraw/zinc/86/42/70/1176864270.db2.gz UHBMTAHZJLFMNQ-ROUUACIJSA-N 2 2 337.508 2.011 10 0 EEAELP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001671337845 1176864275 /nfs/dbraw/zinc/86/42/75/1176864275.db2.gz UHBMTAHZJLFMNQ-ROUUACIJSA-N 2 2 337.508 2.011 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H](C[NH2+]CCc1ccc(Cl)cc1)C1CC1 ZINC001670539835 1176874499 /nfs/dbraw/zinc/87/44/99/1176874499.db2.gz SSJFVYTYTAYCSL-MRXNPFEDSA-N 2 2 346.862 2.333 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001266598723 1176913995 /nfs/dbraw/zinc/91/39/95/1176913995.db2.gz YDLXNNWJZQQZDD-DRZSPHRISA-N 2 2 345.274 2.163 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001266598723 1176914000 /nfs/dbraw/zinc/91/40/00/1176914000.db2.gz YDLXNNWJZQQZDD-DRZSPHRISA-N 2 2 345.274 2.163 10 0 EEAELP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001266748333 1177342847 /nfs/dbraw/zinc/34/28/47/1177342847.db2.gz CADLMKYXUPBCAG-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001691174846 1177670947 /nfs/dbraw/zinc/67/09/47/1177670947.db2.gz JFPBZTPXXKUVMJ-SAABIXHNSA-N 2 2 340.471 2.378 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001691253867 1177774068 /nfs/dbraw/zinc/77/40/68/1177774068.db2.gz STQXYEZQIXQOFQ-QWHCGFSZSA-N 2 2 347.850 2.075 10 0 EEAELP CCc1ccccc1CC[NH2+]CCN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001267017679 1178099067 /nfs/dbraw/zinc/09/90/67/1178099067.db2.gz OUBHMVDIROOQCU-UHFFFAOYSA-N 2 2 328.460 2.114 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1cscn1 ZINC001481045058 1179623830 /nfs/dbraw/zinc/62/38/30/1179623830.db2.gz VSEYKKJAVOLJIU-JKSUJKDBSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1cscn1 ZINC001481045058 1179623833 /nfs/dbraw/zinc/62/38/33/1179623833.db2.gz VSEYKKJAVOLJIU-JKSUJKDBSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cscn1 ZINC001481045058 1179623837 /nfs/dbraw/zinc/62/38/37/1179623837.db2.gz VSEYKKJAVOLJIU-JKSUJKDBSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[N@H+]1Cc1cscn1 ZINC001481045058 1179623839 /nfs/dbraw/zinc/62/38/39/1179623839.db2.gz VSEYKKJAVOLJIU-JKSUJKDBSA-N 2 2 336.505 2.098 10 0 EEAELP COCC[NH2+]CCC1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001267910618 1180749299 /nfs/dbraw/zinc/74/92/99/1180749299.db2.gz NXRHXZPPEHJHHQ-UHFFFAOYSA-N 2 2 330.432 2.041 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC(CC[NH2+]Cc2ccns2)CC1 ZINC001267911152 1180749899 /nfs/dbraw/zinc/74/98/99/1180749899.db2.gz FXPWZOBLYPCNAL-UHFFFAOYSA-N 2 2 347.488 2.148 10 0 EEAELP CN(CC[NH2+]CC/C=C\c1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001481304708 1180974879 /nfs/dbraw/zinc/97/48/79/1180974879.db2.gz ZPEGWYXTGNZLFW-POHAHGRESA-N 2 2 326.444 2.114 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ncc(C)s2)C1 ZINC001481406611 1181233651 /nfs/dbraw/zinc/23/36/51/1181233651.db2.gz VEDXVJAGSXWTJE-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC001481406611 1181233658 /nfs/dbraw/zinc/23/36/58/1181233658.db2.gz VEDXVJAGSXWTJE-OAHLLOKOSA-N 2 2 338.521 2.216 10 0 EEAELP CCOCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481485535 1181536823 /nfs/dbraw/zinc/53/68/23/1181536823.db2.gz IABUJZQZFZISQN-MRXNPFEDSA-N 2 2 344.459 2.073 10 0 EEAELP CCOCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001481485535 1181536826 /nfs/dbraw/zinc/53/68/26/1181536826.db2.gz IABUJZQZFZISQN-MRXNPFEDSA-N 2 2 344.459 2.073 10 0 EEAELP CCCc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cs1 ZINC001481740866 1182468477 /nfs/dbraw/zinc/46/84/77/1182468477.db2.gz TWWQPYZQUFAOOW-HNNXBMFYSA-N 2 2 338.521 2.080 10 0 EEAELP CCCc1nc(C[N@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cs1 ZINC001481740866 1182468482 /nfs/dbraw/zinc/46/84/82/1182468482.db2.gz TWWQPYZQUFAOOW-HNNXBMFYSA-N 2 2 338.521 2.080 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)sn1 ZINC001268405560 1182520120 /nfs/dbraw/zinc/52/01/20/1182520120.db2.gz JKINRLQVTWXKKL-OCCSQVGLSA-N 2 2 335.477 2.284 10 0 EEAELP CCN(CC[NH2+]Cc1conc1C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268463097 1182764598 /nfs/dbraw/zinc/76/45/98/1182764598.db2.gz VHGSZUTWGFXCSJ-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP C[C@](C[NH2+]C/C=C/c1ccccc1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481950448 1183017883 /nfs/dbraw/zinc/01/78/83/1183017883.db2.gz GRESCYMNJQOAQG-MUPIXQSSSA-N 2 2 338.455 2.471 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC/C=C\C[NH2+]Cc1cc(O)ccc1Cl ZINC001268568827 1183278605 /nfs/dbraw/zinc/27/86/05/1183278605.db2.gz ZXSODABIBGVWIA-IHWYPQMZSA-N 2 2 348.834 2.013 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CC1CC(C)(C)C1 ZINC001482116351 1183354139 /nfs/dbraw/zinc/35/41/39/1183354139.db2.gz CSGUBZYZANGTCE-HOCLYGCPSA-N 2 2 332.492 2.224 10 0 EEAELP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1ncc(Cl)s1)[NH+](C)C ZINC001268589500 1183391061 /nfs/dbraw/zinc/39/10/61/1183391061.db2.gz WNNUOELZEDKQFO-VBROQKIQSA-N 2 2 344.912 2.145 10 0 EEAELP CC[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cccc(Cl)n1 ZINC001269442703 1184268110 /nfs/dbraw/zinc/26/81/10/1184268110.db2.gz MBLREKQSOOQLRL-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCC[C@H]2CCOC2)CCCC1 ZINC001269588539 1184413910 /nfs/dbraw/zinc/41/39/10/1184413910.db2.gz RJOYKRDPURSUIO-INIZCTEOSA-N 2 2 348.491 2.096 10 0 EEAELP C[C@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CCC(F)(F)F ZINC001270453621 1185106870 /nfs/dbraw/zinc/10/68/70/1185106870.db2.gz YNNZKTLXACKBAD-NSHDSACASA-N 2 2 328.338 2.242 10 0 EEAELP COCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001270511889 1185137318 /nfs/dbraw/zinc/13/73/18/1185137318.db2.gz DOGCLNWWHBSOHI-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP COCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001270511889 1185137322 /nfs/dbraw/zinc/13/73/22/1185137322.db2.gz DOGCLNWWHBSOHI-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP C[C@@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@H+](CCCCCF)C1 ZINC001270599352 1185195710 /nfs/dbraw/zinc/19/57/10/1185195710.db2.gz FGPCLGXDNGZQDE-CRAIPNDOSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@@]1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC[N@@H+](CCCCCF)C1 ZINC001270599352 1185195713 /nfs/dbraw/zinc/19/57/13/1185195713.db2.gz FGPCLGXDNGZQDE-CRAIPNDOSA-N 2 2 336.455 2.166 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001482347080 1185470156 /nfs/dbraw/zinc/47/01/56/1185470156.db2.gz IRFSQGJTORRQJI-INIZCTEOSA-N 2 2 328.460 2.330 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1 ZINC001271136281 1185954339 /nfs/dbraw/zinc/95/43/39/1185954339.db2.gz CWNFBMIQYFGOJU-HOTGVXAUSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1 ZINC001271136281 1185954345 /nfs/dbraw/zinc/95/43/45/1185954345.db2.gz CWNFBMIQYFGOJU-HOTGVXAUSA-N 2 2 328.460 2.268 10 0 EEAELP COCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001271491249 1186267151 /nfs/dbraw/zinc/26/71/51/1186267151.db2.gz OXDOJTIXZJDXSC-WBVHZDCISA-N 2 2 344.459 2.119 10 0 EEAELP C/C(=C/C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C)O2)CC1)C1CC1 ZINC001271905498 1186608404 /nfs/dbraw/zinc/60/84/04/1186608404.db2.gz RMXBCIHPQRZIJW-QQCBQXDXSA-N 2 2 349.519 2.080 10 0 EEAELP CC/C(C)=C\C(=O)NCC[NH+]1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC001271911262 1186613340 /nfs/dbraw/zinc/61/33/40/1186613340.db2.gz CNIXGGRMSJIQKU-HRYDCMBCSA-N 2 2 337.508 2.082 10 0 EEAELP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](Cc2ccc(F)cn2)C1 ZINC001409932989 1193466410 /nfs/dbraw/zinc/46/64/10/1193466410.db2.gz VFADBFQXIREGOM-CQSZACIVSA-N 2 2 348.466 2.032 10 0 EEAELP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482934421 1187854984 /nfs/dbraw/zinc/85/49/84/1187854984.db2.gz CYKSUVAVARSAQW-MRXNPFEDSA-N 2 2 346.500 2.454 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483027560 1188034702 /nfs/dbraw/zinc/03/47/02/1188034702.db2.gz ADYIRXFHPPJHCW-CHYADLBTSA-N 2 2 338.455 2.216 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001483069024 1188414915 /nfs/dbraw/zinc/41/49/15/1188414915.db2.gz OXZPMNAJQIHLCW-BWPKMQGJSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001483069024 1188414917 /nfs/dbraw/zinc/41/49/17/1188414917.db2.gz OXZPMNAJQIHLCW-BWPKMQGJSA-N 2 2 344.434 2.498 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C)c1ccccc1F ZINC001483083289 1188444582 /nfs/dbraw/zinc/44/45/82/1188444582.db2.gz GSNOJFJFUUQSHI-GEXIGZQTSA-N 2 2 330.407 2.125 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001409345850 1189552628 /nfs/dbraw/zinc/55/26/28/1189552628.db2.gz FHWXGHZUPPKSJA-ZIAGYGMSSA-N 2 2 345.418 2.455 10 0 EEAELP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001409437609 1189676254 /nfs/dbraw/zinc/67/62/54/1189676254.db2.gz BYBUPLRAKWXUGL-LSDHHAIUSA-N 2 2 338.471 2.268 10 0 EEAELP CN(CCC[NH2+]Cc1cccc2cccnc21)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494384 1190511450 /nfs/dbraw/zinc/51/14/50/1190511450.db2.gz GCHVZQFIVVQWLM-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001483613145 1190590253 /nfs/dbraw/zinc/59/02/53/1190590253.db2.gz BFDRJSCIOCXVFK-GOEBONIOSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccns1)n1cc[nH+]c1 ZINC001483946348 1191126709 /nfs/dbraw/zinc/12/67/09/1191126709.db2.gz OOTVRTAKIQDPAU-HUUCEWRRSA-N 2 2 347.488 2.114 10 0 EEAELP CC1CCC(C[N@@H+]2CC[C@@](C)(NC(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001484068446 1191194972 /nfs/dbraw/zinc/19/49/72/1191194972.db2.gz RJGXGTFHQIXKCR-LADRWXRNSA-N 2 2 332.492 2.370 10 0 EEAELP CC1CCC(C[N@H+]2CC[C@@](C)(NC(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001484068446 1191194973 /nfs/dbraw/zinc/19/49/73/1191194973.db2.gz RJGXGTFHQIXKCR-LADRWXRNSA-N 2 2 332.492 2.370 10 0 EEAELP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484113548 1191214158 /nfs/dbraw/zinc/21/41/58/1191214158.db2.gz ARMVIEZGLOOECJ-MDZRGWNJSA-N 2 2 332.492 2.398 10 0 EEAELP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001484398620 1191331154 /nfs/dbraw/zinc/33/11/54/1191331154.db2.gz GATZOMNETITTFE-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CCC2)s1 ZINC001484639517 1191454168 /nfs/dbraw/zinc/45/41/68/1191454168.db2.gz VTFNHHUXUOVWGC-ZIAGYGMSSA-N 2 2 345.472 2.107 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484772666 1191515180 /nfs/dbraw/zinc/51/51/80/1191515180.db2.gz YRYXWVRRMLXUAP-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001484772666 1191515181 /nfs/dbraw/zinc/51/51/81/1191515181.db2.gz YRYXWVRRMLXUAP-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP CC1([NH2+]C/C=C/Cl)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484919932 1191575467 /nfs/dbraw/zinc/57/54/67/1191575467.db2.gz RWZXLWLPTCGADH-VXTUICGHSA-N 2 2 336.867 2.169 10 0 EEAELP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccnc(Cl)c1 ZINC001484996632 1191607078 /nfs/dbraw/zinc/60/70/78/1191607078.db2.gz YWUJSRHXARVQDU-ZDUSSCGKSA-N 2 2 335.839 2.006 10 0 EEAELP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485063470 1191640758 /nfs/dbraw/zinc/64/07/58/1191640758.db2.gz PAZQJRPYINQSCV-FUHWJXTLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485063470 1191640760 /nfs/dbraw/zinc/64/07/60/1191640760.db2.gz PAZQJRPYINQSCV-FUHWJXTLSA-N 2 2 332.492 2.414 10 0 EEAELP COC[C@H](C)[NH2+]CC1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001485096820 1191654399 /nfs/dbraw/zinc/65/43/99/1191654399.db2.gz AMUZWXDCHYQHFH-UQPPLGOBSA-N 2 2 342.443 2.005 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1OC1CC1)[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001485233565 1191700656 /nfs/dbraw/zinc/70/06/56/1191700656.db2.gz FNNKDKUXEZHTAL-CABCVRRESA-N 2 2 342.443 2.107 10 0 EEAELP Cc1nc(CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001485360615 1191753380 /nfs/dbraw/zinc/75/33/80/1191753380.db2.gz PFUMMWSNKHMUQO-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001485360615 1191753381 /nfs/dbraw/zinc/75/33/81/1191753381.db2.gz PFUMMWSNKHMUQO-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C(F)(F)F ZINC001486254545 1193782087 /nfs/dbraw/zinc/78/20/87/1193782087.db2.gz VAQVFDJVZBGBPE-OLZOCXBDSA-N 2 2 344.381 2.145 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)co1 ZINC001486520806 1194042625 /nfs/dbraw/zinc/04/26/25/1194042625.db2.gz JYGGTVPUBLPPKS-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)co1 ZINC001486520806 1194042628 /nfs/dbraw/zinc/04/26/28/1194042628.db2.gz JYGGTVPUBLPPKS-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)co1 ZINC001486520806 1194042632 /nfs/dbraw/zinc/04/26/32/1194042632.db2.gz JYGGTVPUBLPPKS-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)CC2)co1 ZINC001486520806 1194042635 /nfs/dbraw/zinc/04/26/35/1194042635.db2.gz JYGGTVPUBLPPKS-GASCZTMLSA-N 2 2 346.475 2.104 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273045247 1194350138 /nfs/dbraw/zinc/35/01/38/1194350138.db2.gz RGEDBOSLIVZVCM-LLVKDONJSA-N 2 2 338.814 2.429 10 0 EEAELP Cc1oncc1C[N@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001410043895 1197519053 /nfs/dbraw/zinc/51/90/53/1197519053.db2.gz ZXMGHKRWECJCJO-CJNGLKHVSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1oncc1C[N@@H+]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001410043895 1197519056 /nfs/dbraw/zinc/51/90/56/1197519056.db2.gz ZXMGHKRWECJCJO-CJNGLKHVSA-N 2 2 345.447 2.157 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001410441680 1197902259 /nfs/dbraw/zinc/90/22/59/1197902259.db2.gz DOJUOCDHFPSVRK-KBPBESRZSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001410441680 1197902265 /nfs/dbraw/zinc/90/22/65/1197902265.db2.gz DOJUOCDHFPSVRK-KBPBESRZSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001410441919 1197904463 /nfs/dbraw/zinc/90/44/63/1197904463.db2.gz CHHRQMJFKHOFPN-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000865573877 1198282790 /nfs/dbraw/zinc/28/27/90/1198282790.db2.gz NEUASBVSLSKWLJ-LLVKDONJSA-N 2 2 337.221 2.223 10 0 EEAELP CC[NH2+][C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)Cc1ccccc1 ZINC001410940040 1198611056 /nfs/dbraw/zinc/61/10/56/1198611056.db2.gz QOGODHHARNHRGZ-KZNAEPCWSA-N 2 2 340.471 2.251 10 0 EEAELP Cc1cccnc1/C=C/C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870667383 1200803082 /nfs/dbraw/zinc/80/30/82/1200803082.db2.gz WSZHQJFNINVNEC-AATRIKPKSA-N 2 2 337.427 2.189 10 0 EEAELP C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000866115692 1201437302 /nfs/dbraw/zinc/43/73/02/1201437302.db2.gz VCMZJWKEPNIZKW-OWSLCNJRSA-N 2 2 333.520 2.345 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000880327440 1201459138 /nfs/dbraw/zinc/45/91/38/1201459138.db2.gz FVSNXGKKBBIZBW-HKUYNNGSSA-N 2 2 333.520 2.441 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000880327440 1201459141 /nfs/dbraw/zinc/45/91/41/1201459141.db2.gz FVSNXGKKBBIZBW-HKUYNNGSSA-N 2 2 333.520 2.441 10 0 EEAELP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000866395877 1201506788 /nfs/dbraw/zinc/50/67/88/1201506788.db2.gz HMBGYAMIBLNTNM-JEBQAFNWSA-N 2 2 333.451 2.379 10 0 EEAELP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000866395877 1201506792 /nfs/dbraw/zinc/50/67/92/1201506792.db2.gz HMBGYAMIBLNTNM-JEBQAFNWSA-N 2 2 333.451 2.379 10 0 EEAELP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000122310593 1201884817 /nfs/dbraw/zinc/88/48/17/1201884817.db2.gz VDTASLGUFJAULI-JYJNAYRXSA-N 2 2 341.496 2.085 10 0 EEAELP C[C@@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000122310593 1201884820 /nfs/dbraw/zinc/88/48/20/1201884820.db2.gz VDTASLGUFJAULI-JYJNAYRXSA-N 2 2 341.496 2.085 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001274578971 1205086117 /nfs/dbraw/zinc/08/61/17/1205086117.db2.gz QPPYMSRYFHRIQE-SCOBNMCVSA-N 2 2 348.397 2.493 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)CCn1cc[nH+]c1 ZINC001276162917 1205807786 /nfs/dbraw/zinc/80/77/86/1205807786.db2.gz WRMILVLGRCACME-GOSISDBHSA-N 2 2 326.444 2.399 10 0 EEAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccnnc1 ZINC000924609182 1206003444 /nfs/dbraw/zinc/00/34/44/1206003444.db2.gz BUZGIJUSBVXPNT-QGZVFWFLSA-N 2 2 325.460 2.340 10 0 EEAELP Cc1ccc(C(=O)NCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000924632765 1206007211 /nfs/dbraw/zinc/00/72/11/1206007211.db2.gz FJKFSDUOBWRHTB-ROUUACIJSA-N 2 2 333.451 2.470 10 0 EEAELP Cc1ccc(C(=O)NCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000924632765 1206007214 /nfs/dbraw/zinc/00/72/14/1206007214.db2.gz FJKFSDUOBWRHTB-ROUUACIJSA-N 2 2 333.451 2.470 10 0 EEAELP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000924643539 1206009288 /nfs/dbraw/zinc/00/92/88/1206009288.db2.gz OPYKCJKLHBWANW-PWRODBHTSA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1CCCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000924643539 1206009292 /nfs/dbraw/zinc/00/92/92/1206009292.db2.gz OPYKCJKLHBWANW-PWRODBHTSA-N 2 2 344.499 2.200 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[N@@H+]1C ZINC000925339424 1206099403 /nfs/dbraw/zinc/09/94/03/1206099403.db2.gz RIYLFYHTLSXEHE-RHSMWYFYSA-N 2 2 345.491 2.201 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[N@H+]1C ZINC000925339424 1206099405 /nfs/dbraw/zinc/09/94/05/1206099405.db2.gz RIYLFYHTLSXEHE-RHSMWYFYSA-N 2 2 345.491 2.201 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000928434648 1206382951 /nfs/dbraw/zinc/38/29/51/1206382951.db2.gz BAFSSFYFZGKXCR-FHLIZLRMSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1C ZINC000928434648 1206382952 /nfs/dbraw/zinc/38/29/52/1206382952.db2.gz BAFSSFYFZGKXCR-FHLIZLRMSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000928434648 1206382953 /nfs/dbraw/zinc/38/29/53/1206382953.db2.gz BAFSSFYFZGKXCR-FHLIZLRMSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000928434648 1206382955 /nfs/dbraw/zinc/38/29/55/1206382955.db2.gz BAFSSFYFZGKXCR-FHLIZLRMSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136541 1206536974 /nfs/dbraw/zinc/53/69/74/1206536974.db2.gz MRYBDZSRDKHXCI-QXSJWSMHSA-N 2 2 349.441 2.054 10 0 EEAELP C[C@@H]1C[N@@H+](C[C@@H]2CC[C@@H](C(F)(F)F)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000930136541 1206536975 /nfs/dbraw/zinc/53/69/75/1206536975.db2.gz MRYBDZSRDKHXCI-QXSJWSMHSA-N 2 2 349.441 2.054 10 0 EEAELP C[NH+](C)C1(C)CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000931351920 1206625759 /nfs/dbraw/zinc/62/57/59/1206625759.db2.gz YIENRVGJRLOAOB-HNNXBMFYSA-N 2 2 331.460 2.324 10 0 EEAELP CCC[N@H+](C[C@@H](O)C(C)(C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001413081500 1233984706 /nfs/dbraw/zinc/98/47/06/1233984706.db2.gz AQAUFWJIWQLXSS-LJQANCHMSA-N 2 2 334.504 2.495 10 0 EEAELP CCC[N@@H+](C[C@@H](O)C(C)(C)O)C1CC[NH+](Cc2ccccc2)CC1 ZINC001413081500 1233984708 /nfs/dbraw/zinc/98/47/08/1233984708.db2.gz AQAUFWJIWQLXSS-LJQANCHMSA-N 2 2 334.504 2.495 10 0 EEAELP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900530567 1234448853 /nfs/dbraw/zinc/44/88/53/1234448853.db2.gz SWLRDPCORCWWMR-GOSISDBHSA-N 2 2 341.459 2.161 10 0 EEAELP [NH3+]C1CC[NH+](CCc2cc(-c3coc4ccccc4c3=O)no2)CC1 ZINC000901402216 1235701057 /nfs/dbraw/zinc/70/10/57/1235701057.db2.gz YTIZNXCVBVIBSN-UHFFFAOYSA-N 2 2 339.395 2.414 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC(=O)NC3(C)C)CC2)cc1 ZINC000802313762 1237250267 /nfs/dbraw/zinc/25/02/67/1237250267.db2.gz OJSCNBWSMOBSFY-GOSISDBHSA-N 2 2 344.503 2.368 10 0 EEAELP c1cc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)cc(C[NH+]2CCOCC2)c1 ZINC000902754014 1238443300 /nfs/dbraw/zinc/44/33/00/1238443300.db2.gz WNWDFDULJRFVSQ-WRTQPQOASA-N 2 2 342.483 2.422 10 0 EEAELP Cn1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C(F)(F)F ZINC000903460590 1240535490 /nfs/dbraw/zinc/53/54/90/1240535490.db2.gz FASIPAJKAVGDAV-IACUBPJLSA-N 2 2 346.397 2.300 10 0 EEAELP Cn1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C(F)(F)F ZINC000903460590 1240535496 /nfs/dbraw/zinc/53/54/96/1240535496.db2.gz FASIPAJKAVGDAV-IACUBPJLSA-N 2 2 346.397 2.300 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964407 1242757281 /nfs/dbraw/zinc/75/72/81/1242757281.db2.gz PNPXPXQVEUWYFR-UHIISALHSA-N 2 2 325.840 2.263 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001491210452 1258784426 /nfs/dbraw/zinc/78/44/26/1258784426.db2.gz QEDXQGSIKYOVSN-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC001491210452 1258784434 /nfs/dbraw/zinc/78/44/34/1258784434.db2.gz QEDXQGSIKYOVSN-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001491210452 1258784439 /nfs/dbraw/zinc/78/44/39/1258784439.db2.gz QEDXQGSIKYOVSN-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC001491210452 1258784448 /nfs/dbraw/zinc/78/44/48/1258784448.db2.gz QEDXQGSIKYOVSN-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@H]([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001491299261 1258923152 /nfs/dbraw/zinc/92/31/52/1258923152.db2.gz GBYCAYCBNMXRJO-ZFWWWQNUSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@H]([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)s1 ZINC001491299261 1258923156 /nfs/dbraw/zinc/92/31/56/1258923156.db2.gz GBYCAYCBNMXRJO-ZFWWWQNUSA-N 2 2 347.488 2.065 10 0 EEAELP CO[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)[C@H]1CCOC1 ZINC000850342527 1277188422 /nfs/dbraw/zinc/18/84/22/1277188422.db2.gz MKZSMGQSVVBNGS-JXFKEZNVSA-N 2 2 347.503 2.363 10 0 EEAELP O=[S@@](CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)CC(F)(F)F ZINC000850350445 1277193933 /nfs/dbraw/zinc/19/39/33/1277193933.db2.gz RMZFOILYXMIQHJ-QFIPXVFZSA-N 2 2 331.363 2.273 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001490739117 1291652213 /nfs/dbraw/zinc/65/22/13/1291652213.db2.gz ZBKCKYAHBXJCCN-GOSISDBHSA-N 2 2 344.503 2.417 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852008906 1291951805 /nfs/dbraw/zinc/95/18/05/1291951805.db2.gz JTGWYCMVQYDZRE-HKUYNNGSSA-N 2 2 336.451 2.354 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000852008906 1291951807 /nfs/dbraw/zinc/95/18/07/1291951807.db2.gz JTGWYCMVQYDZRE-HKUYNNGSSA-N 2 2 336.451 2.354 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2Cl)[C@@H](C)C1 ZINC000856770799 1293627727 /nfs/dbraw/zinc/62/77/27/1293627727.db2.gz NOFHVWBRSLOGIG-DZGCQCFKSA-N 2 2 328.888 2.300 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2Cl)[C@@H](C)C1 ZINC000856770799 1293627732 /nfs/dbraw/zinc/62/77/32/1293627732.db2.gz NOFHVWBRSLOGIG-DZGCQCFKSA-N 2 2 328.888 2.300 10 0 EEAELP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000858473802 1294127305 /nfs/dbraw/zinc/12/73/05/1294127305.db2.gz SIJPPKGACLCBRJ-QILLFSRXSA-N 2 2 329.444 2.143 10 0 EEAELP COC(=O)C1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000858473802 1294127308 /nfs/dbraw/zinc/12/73/08/1294127308.db2.gz SIJPPKGACLCBRJ-QILLFSRXSA-N 2 2 329.444 2.143 10 0 EEAELP CCO[C@@H](C[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21)C[NH+](C)C ZINC000926960635 1296970979 /nfs/dbraw/zinc/97/09/79/1296970979.db2.gz MYFZRDXIDSZOEA-WMZOPIPTSA-N 2 2 334.460 2.407 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[N@@H+](CCCCCF)C[C@H]2C1 ZINC001276839588 1299867814 /nfs/dbraw/zinc/86/78/14/1299867814.db2.gz KQDSZLUXUUCRKS-BZUAXINKSA-N 2 2 336.455 2.309 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@@H]2C[N@H+](CCCCCF)C[C@H]2C1 ZINC001276839588 1299867826 /nfs/dbraw/zinc/86/78/26/1299867826.db2.gz KQDSZLUXUUCRKS-BZUAXINKSA-N 2 2 336.455 2.309 10 0 EEAELP CCC[NH2+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCC1 ZINC001278241360 1308902074 /nfs/dbraw/zinc/90/20/74/1308902074.db2.gz OJRVLIVVNRDXOT-KRWDZBQOSA-N 2 2 332.492 2.437 10 0 EEAELP CCCC[NH2+][C@@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC1(C)C ZINC001278645105 1317556609 /nfs/dbraw/zinc/55/66/09/1317556609.db2.gz NIUXWFIUAFYDOJ-MRXNPFEDSA-N 2 2 332.492 2.389 10 0 EEAELP COCCCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001278982282 1318911942 /nfs/dbraw/zinc/91/19/42/1318911942.db2.gz ANCVPBLCQIBQJU-MRXNPFEDSA-N 2 2 346.475 2.495 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cscn1 ZINC001265005726 1322852706 /nfs/dbraw/zinc/85/27/06/1322852706.db2.gz HSWWRHZEMPOBDI-INIZCTEOSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1cscn1 ZINC001265005726 1322852709 /nfs/dbraw/zinc/85/27/09/1322852709.db2.gz HSWWRHZEMPOBDI-INIZCTEOSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)Cc1cscn1 ZINC001265005726 1322852716 /nfs/dbraw/zinc/85/27/16/1322852716.db2.gz HSWWRHZEMPOBDI-INIZCTEOSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1cscn1 ZINC001265005726 1322852719 /nfs/dbraw/zinc/85/27/19/1322852719.db2.gz HSWWRHZEMPOBDI-INIZCTEOSA-N 2 2 338.521 2.202 10 0 EEAELP O=C(NCCC[N@H+](C[C@@H]1CCOC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001265165707 1322960031 /nfs/dbraw/zinc/96/00/31/1322960031.db2.gz DWXMPFQLHCMJBK-AWEZNQCLSA-N 2 2 342.443 2.184 10 0 EEAELP O=C(NCCC[N@@H+](C[C@@H]1CCOC1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001265165707 1322960032 /nfs/dbraw/zinc/96/00/32/1322960032.db2.gz DWXMPFQLHCMJBK-AWEZNQCLSA-N 2 2 342.443 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001265855878 1323430485 /nfs/dbraw/zinc/43/04/85/1323430485.db2.gz DVZLFXYUMKNNPL-GFCCVEGCSA-N 2 2 325.416 2.036 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[NH2+]CCCc2ccsc2)C1 ZINC001266028826 1323579740 /nfs/dbraw/zinc/57/97/40/1323579740.db2.gz DTSOHCXIMVZLLE-INIZCTEOSA-N 2 2 346.500 2.095 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001266230112 1323807320 /nfs/dbraw/zinc/80/73/20/1323807320.db2.gz YNIILPJTRPQXLH-GOSISDBHSA-N 2 2 341.459 2.229 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC001266230112 1323807322 /nfs/dbraw/zinc/80/73/22/1323807322.db2.gz YNIILPJTRPQXLH-GOSISDBHSA-N 2 2 341.459 2.229 10 0 EEAELP CCOCCC[NH2+]C[C@@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001279125821 1323836579 /nfs/dbraw/zinc/83/65/79/1323836579.db2.gz RPQCOGWUOVCSDM-JKSUJKDBSA-N 2 2 344.459 2.059 10 0 EEAELP CCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001279590717 1323951101 /nfs/dbraw/zinc/95/11/01/1323951101.db2.gz FMVYBCDVLKDZAY-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP CCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001279590717 1323951104 /nfs/dbraw/zinc/95/11/04/1323951104.db2.gz FMVYBCDVLKDZAY-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001280462174 1324237958 /nfs/dbraw/zinc/23/79/58/1324237958.db2.gz HQISYXQBWNTESE-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2)C1 ZINC001284028786 1326370133 /nfs/dbraw/zinc/37/01/33/1326370133.db2.gz BMDDPZLWSLDALO-PKOBYXMFSA-N 2 2 340.471 2.403 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC001491694903 1330209642 /nfs/dbraw/zinc/20/96/42/1330209642.db2.gz VEMDJACBXVNAIY-GFCCVEGCSA-N 2 2 340.349 2.196 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCc1ccccc1 ZINC001316836780 1331924427 /nfs/dbraw/zinc/92/44/27/1331924427.db2.gz TWZWLVBWTAGUAR-GOSISDBHSA-N 2 2 340.471 2.126 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CCc1ccccc1 ZINC001316836780 1331924429 /nfs/dbraw/zinc/92/44/29/1331924429.db2.gz TWZWLVBWTAGUAR-GOSISDBHSA-N 2 2 340.471 2.126 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001317082680 1332073033 /nfs/dbraw/zinc/07/30/33/1332073033.db2.gz RETOOZSGRURJFE-QAQDUYKDSA-N 2 2 348.491 2.319 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001317082680 1332073035 /nfs/dbraw/zinc/07/30/35/1332073035.db2.gz RETOOZSGRURJFE-QAQDUYKDSA-N 2 2 348.491 2.319 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC([C@H](C)[NH2+]CCCF)CC1 ZINC001317687948 1332374200 /nfs/dbraw/zinc/37/42/00/1332374200.db2.gz VNBUHNQHZBSQDY-AWEZNQCLSA-N 2 2 337.439 2.209 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(Cl)c(F)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001320560151 1332910076 /nfs/dbraw/zinc/91/00/76/1332910076.db2.gz AUFGXFWCBWOYHR-LLVKDONJSA-N 2 2 338.814 2.429 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1C ZINC001320624324 1332923292 /nfs/dbraw/zinc/92/32/92/1332923292.db2.gz YABUIDNUYKHQDW-CYBMUJFWSA-N 2 2 332.423 2.393 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)no1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001320735482 1332942917 /nfs/dbraw/zinc/94/29/17/1332942917.db2.gz ZQVKRXMDYWVFDI-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)Cc1c[nH+]cn1C ZINC001320891581 1332973400 /nfs/dbraw/zinc/97/34/00/1332973400.db2.gz MOXKIHAKKNAQMU-UHFFFAOYSA-N 2 2 340.471 2.478 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC001321126970 1333025949 /nfs/dbraw/zinc/02/59/49/1333025949.db2.gz OZSYQYYUBMXSCZ-KZSQQDEKSA-N 2 2 344.484 2.278 10 0 EEAELP Cc1cccn2cc(CC(=O)NC/C=C/C[NH2+]CC3CC(C)C3)[nH+]c12 ZINC001321292475 1333066055 /nfs/dbraw/zinc/06/60/55/1333066055.db2.gz CKDJVDUKVSDMOU-ONEGZZNKSA-N 2 2 340.471 2.493 10 0 EEAELP CC(C)(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001328875466 1334539143 /nfs/dbraw/zinc/53/91/43/1334539143.db2.gz GZFRNONAOQNURF-HWOWSKLDSA-N 2 2 332.492 2.366 10 0 EEAELP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001330308939 1334821103 /nfs/dbraw/zinc/82/11/03/1334821103.db2.gz JQMGDJYEGWQTND-PHZGNYQRSA-N 2 2 326.444 2.432 10 0 EEAELP CCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cccc4[nH+]ccn43)[C@@H]2C1 ZINC001330308939 1334821105 /nfs/dbraw/zinc/82/11/05/1334821105.db2.gz JQMGDJYEGWQTND-PHZGNYQRSA-N 2 2 326.444 2.432 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001330635749 1334880610 /nfs/dbraw/zinc/88/06/10/1334880610.db2.gz DATILPDTIQXDKS-SHTZXODSSA-N 2 2 347.850 2.006 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001330668937 1334885027 /nfs/dbraw/zinc/88/50/27/1334885027.db2.gz ZKPBLRLDRFLATH-NBOOPKSLSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001330668937 1334885030 /nfs/dbraw/zinc/88/50/30/1334885030.db2.gz ZKPBLRLDRFLATH-NBOOPKSLSA-N 2 2 348.491 2.032 10 0 EEAELP C[C@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC[C@@H]1CCOC1 ZINC001331491820 1335022952 /nfs/dbraw/zinc/02/29/52/1335022952.db2.gz WUJXSSDFJPHBRW-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001665880308 1355403800 /nfs/dbraw/zinc/40/38/00/1355403800.db2.gz VUERKYOYPGVEOL-NWDGAFQWSA-N 2 2 347.290 2.329 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[NH+](CC2CCCC2)CC1 ZINC001433423101 1341593251 /nfs/dbraw/zinc/59/32/51/1341593251.db2.gz SBTPNJUXLIXLMN-UHFFFAOYSA-N 2 2 330.476 2.096 10 0 EEAELP Cc1cncc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001506583162 1342260324 /nfs/dbraw/zinc/26/03/24/1342260324.db2.gz OUNBEHKFXRPKFD-GOSISDBHSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1cncc(C[N@H+]2CCCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001506583162 1342260327 /nfs/dbraw/zinc/26/03/27/1342260327.db2.gz OUNBEHKFXRPKFD-GOSISDBHSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001566860223 1342641769 /nfs/dbraw/zinc/64/17/69/1342641769.db2.gz RVNZYQJECVJOSF-HDICACEKSA-N 2 2 340.471 2.141 10 0 EEAELP CC(C)(C(=O)N1CCC[C@@H](C[NH2+]CCC(F)(F)F)C1)c1c[nH+]c[nH]1 ZINC001566909857 1342650732 /nfs/dbraw/zinc/65/07/32/1342650732.db2.gz GPGCNAIVGNAFSW-LBPRGKRZSA-N 2 2 346.397 2.468 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001567236601 1342714163 /nfs/dbraw/zinc/71/41/63/1342714163.db2.gz NPKBJOHNTAEZMJ-CYBMUJFWSA-N 2 2 339.443 2.427 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001567404965 1342756150 /nfs/dbraw/zinc/75/61/50/1342756150.db2.gz IVDWEXHYWNDYSK-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP COCCCCC[N@H+]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001567404965 1342756154 /nfs/dbraw/zinc/75/61/54/1342756154.db2.gz IVDWEXHYWNDYSK-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567774581 1342838536 /nfs/dbraw/zinc/83/85/36/1342838536.db2.gz CHXRZVCRSMHIMR-IRXDYDNUSA-N 2 2 336.480 2.087 10 0 EEAELP COCCC[N@H+]1CCC[C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567774581 1342838541 /nfs/dbraw/zinc/83/85/41/1342838541.db2.gz CHXRZVCRSMHIMR-IRXDYDNUSA-N 2 2 336.480 2.087 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001569647685 1342917110 /nfs/dbraw/zinc/91/71/10/1342917110.db2.gz LJRBYPQRHCZFCZ-MRJYEXDBSA-N 2 2 330.476 2.461 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001569647685 1342917112 /nfs/dbraw/zinc/91/71/12/1342917112.db2.gz LJRBYPQRHCZFCZ-MRJYEXDBSA-N 2 2 330.476 2.461 10 0 EEAELP CC(C)=CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCC[NH+]1CCCC1)O2 ZINC001570235493 1343038958 /nfs/dbraw/zinc/03/89/58/1343038958.db2.gz BVULNMGOOYLLHU-SFHVURJKSA-N 2 2 349.519 2.178 10 0 EEAELP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001570955902 1343142857 /nfs/dbraw/zinc/14/28/57/1343142857.db2.gz UNSBBTMLIYQXHD-ZKXLYKBJSA-N 2 2 344.503 2.398 10 0 EEAELP CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)[C@@H]2C1 ZINC001570955902 1343142861 /nfs/dbraw/zinc/14/28/61/1343142861.db2.gz UNSBBTMLIYQXHD-ZKXLYKBJSA-N 2 2 344.503 2.398 10 0 EEAELP CC[C@H](C[N@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1)OC ZINC001571696128 1343278077 /nfs/dbraw/zinc/27/80/77/1343278077.db2.gz LHWMVBCAGLFSBI-DOTOQJQBSA-N 2 2 334.464 2.008 10 0 EEAELP CC[C@H](C[N@@H+]1CC=C(CNC(=O)C[C@H](C)n2cc[nH+]c2)CC1)OC ZINC001571696128 1343278080 /nfs/dbraw/zinc/27/80/80/1343278080.db2.gz LHWMVBCAGLFSBI-DOTOQJQBSA-N 2 2 334.464 2.008 10 0 EEAELP 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/nfs/dbraw/zinc/65/42/24/1090654224.db2.gz BPPVCKCJSKEPAZ-UHFFFAOYSA-N 2 2 332.835 2.093 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001445397241 1091143653 /nfs/dbraw/zinc/14/36/53/1091143653.db2.gz JWDVBOGWTITFPC-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001439111942 1091756111 /nfs/dbraw/zinc/75/61/11/1091756111.db2.gz UTGYJPNEVHZMRI-HUUCEWRRSA-N 2 2 336.480 2.265 10 0 EEAELP CC(C)c1cnc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001439111942 1091756117 /nfs/dbraw/zinc/75/61/17/1091756117.db2.gz UTGYJPNEVHZMRI-HUUCEWRRSA-N 2 2 336.480 2.265 10 0 EEAELP CCc1ccc(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CC2)cc1 ZINC001446021317 1092010538 /nfs/dbraw/zinc/01/05/38/1092010538.db2.gz WAWGUMSUFKFGRJ-GOSISDBHSA-N 2 2 326.444 2.130 10 0 EEAELP Cc1ncc(C[N@@H+](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001439378102 1092120442 /nfs/dbraw/zinc/12/04/42/1092120442.db2.gz HUZAGDNJLQOICH-ZDUSSCGKSA-N 2 2 349.504 2.408 10 0 EEAELP Cc1ncc(C[N@H+](C)C[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001439378102 1092120446 /nfs/dbraw/zinc/12/04/46/1092120446.db2.gz HUZAGDNJLQOICH-ZDUSSCGKSA-N 2 2 349.504 2.408 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001439498790 1092332938 /nfs/dbraw/zinc/33/29/38/1092332938.db2.gz PZRQAAIMEJQVQC-FUHWJXTLSA-N 2 2 348.491 2.088 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001439687967 1092632621 /nfs/dbraw/zinc/63/26/21/1092632621.db2.gz RGOMZNJXHIHDSH-ZACQAIPSSA-N 2 2 336.455 2.477 10 0 EEAELP CC[C@@H](F)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001439687967 1092632626 /nfs/dbraw/zinc/63/26/26/1092632626.db2.gz RGOMZNJXHIHDSH-ZACQAIPSSA-N 2 2 336.455 2.477 10 0 EEAELP COc1ccc(C[NH+]2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)cc1 ZINC001439801822 1092756920 /nfs/dbraw/zinc/75/69/20/1092756920.db2.gz CMPWFIKKOZRSLW-UHFFFAOYSA-N 2 2 342.443 2.063 10 0 EEAELP Cc1cccc(C[NH+]2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)c1 ZINC001439801230 1092757366 /nfs/dbraw/zinc/75/73/66/1092757366.db2.gz CCXJMELGVLJWRS-UHFFFAOYSA-N 2 2 326.444 2.362 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@H+](CCCF)CCC1(F)F ZINC001439974383 1093091919 /nfs/dbraw/zinc/09/19/19/1093091919.db2.gz QIKACNRRYKGLEK-OLZOCXBDSA-N 2 2 346.397 2.021 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[N@@H+](CCCF)CCC1(F)F ZINC001439974383 1093091929 /nfs/dbraw/zinc/09/19/29/1093091929.db2.gz QIKACNRRYKGLEK-OLZOCXBDSA-N 2 2 346.397 2.021 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1Cc1cncs1)C(=O)CCC[NH+]1CCCC1 ZINC001440278002 1093394880 /nfs/dbraw/zinc/39/48/80/1093394880.db2.gz SYEVCVBKRMHCPE-HNNXBMFYSA-N 2 2 336.505 2.052 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1Cc1cncs1)C(=O)CCC[NH+]1CCCC1 ZINC001440278002 1093394889 /nfs/dbraw/zinc/39/48/89/1093394889.db2.gz SYEVCVBKRMHCPE-HNNXBMFYSA-N 2 2 336.505 2.052 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC001448451308 1093461612 /nfs/dbraw/zinc/46/16/12/1093461612.db2.gz VZHMBOXAWGAXNQ-OSYLJGHBSA-N 2 2 344.846 2.100 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)C[C@H]21 ZINC001448451308 1093461617 /nfs/dbraw/zinc/46/16/17/1093461617.db2.gz VZHMBOXAWGAXNQ-OSYLJGHBSA-N 2 2 344.846 2.100 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(F)cn2)c[nH+]1 ZINC001448674049 1093741165 /nfs/dbraw/zinc/74/11/65/1093741165.db2.gz BOLIVFJFPAYVEC-ZDUSSCGKSA-N 2 2 347.438 2.097 10 0 EEAELP CC[C@@H](F)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001440718645 1093961839 /nfs/dbraw/zinc/96/18/39/1093961839.db2.gz DVLYPEKQZWCKOG-SZVBFZGTSA-N 2 2 344.434 2.393 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cnc(Cl)s1 ZINC001441038065 1094332408 /nfs/dbraw/zinc/33/24/08/1094332408.db2.gz OXHFHBSNHINWKE-NSHDSACASA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1cnc(Cl)s1 ZINC001441038065 1094332412 /nfs/dbraw/zinc/33/24/12/1094332412.db2.gz OXHFHBSNHINWKE-NSHDSACASA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)Cc1cnc(Cl)s1 ZINC001441038065 1094332418 /nfs/dbraw/zinc/33/24/18/1094332418.db2.gz OXHFHBSNHINWKE-NSHDSACASA-N 2 2 332.901 2.073 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001441038065 1094332425 /nfs/dbraw/zinc/33/24/25/1094332425.db2.gz OXHFHBSNHINWKE-NSHDSACASA-N 2 2 332.901 2.073 10 0 EEAELP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC([NH2+]Cc2ccon2)C1 ZINC001449408404 1094389668 /nfs/dbraw/zinc/38/96/68/1094389668.db2.gz YRKCLZCLSNQJIC-ABHNRTSZSA-N 2 2 342.443 2.057 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001441335511 1094812413 /nfs/dbraw/zinc/81/24/13/1094812413.db2.gz KQLUINCBYRDXAO-KDURUIRLSA-N 2 2 332.492 2.490 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@]2(C)CN(C(=O)Cn3cc[nH+]c3)C[C@@]2(C)C1 ZINC001441335511 1094812428 /nfs/dbraw/zinc/81/24/28/1094812428.db2.gz KQLUINCBYRDXAO-KDURUIRLSA-N 2 2 332.492 2.490 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](Cc2nccs2)C1 ZINC001441670859 1095642626 /nfs/dbraw/zinc/64/26/26/1095642626.db2.gz FNMCKIBPESPXGU-HUUCEWRRSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC001441670859 1095642633 /nfs/dbraw/zinc/64/26/33/1095642633.db2.gz FNMCKIBPESPXGU-HUUCEWRRSA-N 2 2 347.488 2.065 10 0 EEAELP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001442122680 1096358709 /nfs/dbraw/zinc/35/87/09/1096358709.db2.gz KQXOABJGTPEGFZ-HZPDHXFCSA-N 2 2 332.492 2.246 10 0 EEAELP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001442191319 1096465744 /nfs/dbraw/zinc/46/57/44/1096465744.db2.gz CQDQNDJPSGAGFQ-DLBZAZTESA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001442191319 1096465746 /nfs/dbraw/zinc/46/57/46/1096465746.db2.gz CQDQNDJPSGAGFQ-DLBZAZTESA-N 2 2 332.492 2.414 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]C/C(Cl)=C/Cl ZINC001442273260 1096581106 /nfs/dbraw/zinc/58/11/06/1096581106.db2.gz JTBQBJDXZJMZNV-LMEWBDQLSA-N 2 2 345.274 2.249 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001442922507 1097333953 /nfs/dbraw/zinc/33/39/53/1097333953.db2.gz ZKKOASDHFUXFDY-UONOGXRCSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[N@H+](C[C@H]2CCCC(F)(F)C2)C1 ZINC001442922507 1097333960 /nfs/dbraw/zinc/33/39/60/1097333960.db2.gz ZKKOASDHFUXFDY-UONOGXRCSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(NCC[N@H+](Cc1ccsc1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001443019145 1097429066 /nfs/dbraw/zinc/42/90/66/1097429066.db2.gz SNWFZZPMLMCCEI-OAHLLOKOSA-N 2 2 344.484 2.288 10 0 EEAELP O=C(NCC[N@@H+](Cc1ccsc1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001443019145 1097429068 /nfs/dbraw/zinc/42/90/68/1097429068.db2.gz SNWFZZPMLMCCEI-OAHLLOKOSA-N 2 2 344.484 2.288 10 0 EEAELP O=C(NCC[N@H+](Cc1cncs1)C1CC1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001443020098 1097429449 /nfs/dbraw/zinc/42/94/49/1097429449.db2.gz TXRNMBVKVTXRFI-NVXWUHKLSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[N@@H+](Cc1cncs1)C1CC1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001443020098 1097429451 /nfs/dbraw/zinc/42/94/51/1097429451.db2.gz TXRNMBVKVTXRFI-NVXWUHKLSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001443020098 1097429455 /nfs/dbraw/zinc/42/94/55/1097429455.db2.gz TXRNMBVKVTXRFI-NVXWUHKLSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(NCC[NH+](Cc1cncs1)C1CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001443020098 1097429457 /nfs/dbraw/zinc/42/94/57/1097429457.db2.gz TXRNMBVKVTXRFI-NVXWUHKLSA-N 2 2 348.516 2.241 10 0 EEAELP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001443261626 1097739065 /nfs/dbraw/zinc/73/90/65/1097739065.db2.gz UHVKVYLMZAPQHM-MAUKXSAKSA-N 2 2 347.507 2.274 10 0 EEAELP CC(C)C[N@H+]1CC[C@H](CCNC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001443261626 1097739067 /nfs/dbraw/zinc/73/90/67/1097739067.db2.gz UHVKVYLMZAPQHM-MAUKXSAKSA-N 2 2 347.507 2.274 10 0 EEAELP CC(C)C[NH+]1CC[C@H](CCNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001443261626 1097739071 /nfs/dbraw/zinc/73/90/71/1097739071.db2.gz UHVKVYLMZAPQHM-MAUKXSAKSA-N 2 2 347.507 2.274 10 0 EEAELP CC(C)C[NH+]1CC[C@H](CCNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001443261626 1097739074 /nfs/dbraw/zinc/73/90/74/1097739074.db2.gz UHVKVYLMZAPQHM-MAUKXSAKSA-N 2 2 347.507 2.274 10 0 EEAELP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001443333132 1097843099 /nfs/dbraw/zinc/84/30/99/1097843099.db2.gz SZLLICCFFWSWSM-DLBZAZTESA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001443333132 1097843108 /nfs/dbraw/zinc/84/31/08/1097843108.db2.gz SZLLICCFFWSWSM-DLBZAZTESA-N 2 2 332.492 2.272 10 0 EEAELP C[C@H](c1ccc(F)cc1F)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001443609200 1098103963 /nfs/dbraw/zinc/10/39/63/1098103963.db2.gz NRAXIULADJDUOB-GFCCVEGCSA-N 2 2 325.403 2.026 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001443813731 1098309976 /nfs/dbraw/zinc/30/99/76/1098309976.db2.gz HTTCJTXGEGEDGP-QGZVFWFLSA-N 2 2 330.476 2.386 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001443813731 1098309980 /nfs/dbraw/zinc/30/99/80/1098309980.db2.gz HTTCJTXGEGEDGP-QGZVFWFLSA-N 2 2 330.476 2.386 10 0 EEAELP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001443816226 1098314739 /nfs/dbraw/zinc/31/47/39/1098314739.db2.gz KHINVNWSABBRHT-OAHLLOKOSA-N 2 2 347.488 2.079 10 0 EEAELP Cc1nsc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2)C1 ZINC001443816226 1098314746 /nfs/dbraw/zinc/31/47/46/1098314746.db2.gz KHINVNWSABBRHT-OAHLLOKOSA-N 2 2 347.488 2.079 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001443835863 1098345742 /nfs/dbraw/zinc/34/57/42/1098345742.db2.gz CVOIICXWNVQLLI-APWZRJJASA-N 2 2 340.471 2.364 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001443835863 1098345752 /nfs/dbraw/zinc/34/57/52/1098345752.db2.gz CVOIICXWNVQLLI-APWZRJJASA-N 2 2 340.471 2.364 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001443835863 1098345759 /nfs/dbraw/zinc/34/57/59/1098345759.db2.gz CVOIICXWNVQLLI-APWZRJJASA-N 2 2 340.471 2.364 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001443835863 1098345767 /nfs/dbraw/zinc/34/57/67/1098345767.db2.gz CVOIICXWNVQLLI-APWZRJJASA-N 2 2 340.471 2.364 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001444037067 1098556841 /nfs/dbraw/zinc/55/68/41/1098556841.db2.gz QVKWQLDWUDJVRK-UONOGXRCSA-N 2 2 328.407 2.193 10 0 EEAELP C[C@](C[NH2+]CC1CCC1)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001444136151 1098675144 /nfs/dbraw/zinc/67/51/44/1098675144.db2.gz TZOTWGMWPQFUPU-DNVCBOLYSA-N 2 2 330.476 2.120 10 0 EEAELP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001444340484 1098904255 /nfs/dbraw/zinc/90/42/55/1098904255.db2.gz AVMZGMWFRRPTOK-KGLIPLIRSA-N 2 2 342.434 2.130 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc2c[nH+]cn2C)c1 ZINC001444395750 1098990298 /nfs/dbraw/zinc/99/02/98/1098990298.db2.gz YHVUNXNRLSDURV-CABCVRRESA-N 2 2 344.459 2.074 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CC[C@H]1CCCO1 ZINC001479849351 1099145550 /nfs/dbraw/zinc/14/55/50/1099145550.db2.gz VMDFSSUCZBAUKM-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)CC[C@H]1CCCO1 ZINC001479849351 1099145556 /nfs/dbraw/zinc/14/55/56/1099145556.db2.gz VMDFSSUCZBAUKM-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001480079321 1099625086 /nfs/dbraw/zinc/62/50/86/1099625086.db2.gz KDOKLEWDLNSAIO-IAGOWNOFSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001480079321 1099625093 /nfs/dbraw/zinc/62/50/93/1099625093.db2.gz KDOKLEWDLNSAIO-IAGOWNOFSA-N 2 2 332.492 2.272 10 0 EEAELP CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001444829055 1099774981 /nfs/dbraw/zinc/77/49/81/1099774981.db2.gz LGXVZZDKAGYYBM-HZPDHXFCSA-N 2 2 332.492 2.389 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H](CNC(=O)Cc2c[nH]c[nH+]2)C(C)C)c1 ZINC001444919242 1100005425 /nfs/dbraw/zinc/00/54/25/1100005425.db2.gz UHRVFPOGTMLATF-QGZVFWFLSA-N 2 2 332.423 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[NH2+]Cc1nc(C)c(C)o1 ZINC001480464483 1100270074 /nfs/dbraw/zinc/27/00/74/1100270074.db2.gz TZJKBSWKPZAPDO-STQMWFEESA-N 2 2 347.463 2.296 10 0 EEAELP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)Cc2c[nH+]ccc2OC)cc1 ZINC001480486799 1100297167 /nfs/dbraw/zinc/29/71/67/1100297167.db2.gz PFCPAKPBOOCPHG-HNNXBMFYSA-N 2 2 341.455 2.490 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001480488991 1100299293 /nfs/dbraw/zinc/29/92/93/1100299293.db2.gz CSNILBVDWNCVTG-OCCSQVGLSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H](C)[NH2+]CCOc1cc(C)ccc1C ZINC001480580561 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C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@@H](C)[NH2+]Cc1ccsc1 ZINC001505640424 1114102777 /nfs/dbraw/zinc/10/27/77/1114102777.db2.gz GIBUEIOBOJRFHW-VXGBXAGGSA-N 2 2 336.461 2.094 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001505661712 1114116316 /nfs/dbraw/zinc/11/63/16/1114116316.db2.gz YZPRKNDUILKNNK-HUUCEWRRSA-N 2 2 346.450 2.483 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@H+](C)CCc1cccs1 ZINC001505944769 1114293559 /nfs/dbraw/zinc/29/35/59/1114293559.db2.gz YKGKNMFBAXAXOQ-CQSZACIVSA-N 2 2 347.484 2.373 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@@H+](C)CCc1cccs1 ZINC001505944769 1114293560 /nfs/dbraw/zinc/29/35/60/1114293560.db2.gz YKGKNMFBAXAXOQ-CQSZACIVSA-N 2 2 347.484 2.373 10 0 EEAELP Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001505948993 1114295638 /nfs/dbraw/zinc/29/56/38/1114295638.db2.gz YSVKZPVCSUMNFX-IRXDYDNUSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001505948993 1114295640 /nfs/dbraw/zinc/29/56/40/1114295640.db2.gz YSVKZPVCSUMNFX-IRXDYDNUSA-N 2 2 340.471 2.391 10 0 EEAELP CC(C)(C)CC[NH+]1CC(CCO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001506103172 1114409859 /nfs/dbraw/zinc/40/98/59/1114409859.db2.gz CKLHURIZVFNLJY-UHFFFAOYSA-N 2 2 344.459 2.166 10 0 EEAELP Cc1nc(C[NH+]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)C2)oc1C ZINC001506740565 1114851097 /nfs/dbraw/zinc/85/10/97/1114851097.db2.gz AAORIEFNAQGZRX-INIZCTEOSA-N 2 2 348.491 2.102 10 0 EEAELP Cc1nc(C[NH+]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)C2)oc1C ZINC001506740565 1114851101 /nfs/dbraw/zinc/85/11/01/1114851101.db2.gz AAORIEFNAQGZRX-INIZCTEOSA-N 2 2 348.491 2.102 10 0 EEAELP Cc1nc(C[N@H+]2C[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)oc1C ZINC001506740565 1114851104 /nfs/dbraw/zinc/85/11/04/1114851104.db2.gz AAORIEFNAQGZRX-INIZCTEOSA-N 2 2 348.491 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)oc1C ZINC001506740565 1114851106 /nfs/dbraw/zinc/85/11/06/1114851106.db2.gz AAORIEFNAQGZRX-INIZCTEOSA-N 2 2 348.491 2.102 10 0 EEAELP Cc1nocc1C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001506746516 1114859707 /nfs/dbraw/zinc/85/97/07/1114859707.db2.gz DLCPDLHBKQMECD-CZUORRHYSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1nocc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001506746516 1114859711 /nfs/dbraw/zinc/85/97/11/1114859711.db2.gz DLCPDLHBKQMECD-CZUORRHYSA-N 2 2 345.447 2.157 10 0 EEAELP C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001506926357 1114979278 /nfs/dbraw/zinc/97/92/78/1114979278.db2.gz FIJJEFCQMHHLSK-MRVWCRGKSA-N 2 2 340.418 2.433 10 0 EEAELP C[C@H](CCC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001506926357 1114979279 /nfs/dbraw/zinc/97/92/79/1114979279.db2.gz FIJJEFCQMHHLSK-MRVWCRGKSA-N 2 2 340.418 2.433 10 0 EEAELP COCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001507315454 1115187918 /nfs/dbraw/zinc/18/79/18/1115187918.db2.gz HGZZQRGRGNYGBP-CVEARBPZSA-N 2 2 344.459 2.344 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001568385302 1124455484 /nfs/dbraw/zinc/45/54/84/1124455484.db2.gz CUCBKLCVAFRLNL-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001568385302 1124455488 /nfs/dbraw/zinc/45/54/88/1124455488.db2.gz CUCBKLCVAFRLNL-WMZOPIPTSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001568870295 1124897325 /nfs/dbraw/zinc/89/73/25/1124897325.db2.gz AOKMONHYASZVJX-ONEGZZNKSA-N 2 2 339.399 2.244 10 0 EEAELP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001569058150 1125071247 /nfs/dbraw/zinc/07/12/47/1125071247.db2.gz RUHTXXPUYLMMLZ-XJKSGUPXSA-N 2 2 335.496 2.321 10 0 EEAELP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001569058150 1125071252 /nfs/dbraw/zinc/07/12/52/1125071252.db2.gz RUHTXXPUYLMMLZ-XJKSGUPXSA-N 2 2 335.496 2.321 10 0 EEAELP CN(CCC[NH2+]CCc1cccs1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001569216667 1125171522 /nfs/dbraw/zinc/17/15/22/1125171522.db2.gz RMULLBXTLPRUQJ-OAHLLOKOSA-N 2 2 346.500 2.188 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(Cl)n1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001569257738 1125199519 /nfs/dbraw/zinc/19/95/19/1125199519.db2.gz KDVFZSCIXXTKFA-UHFFFAOYSA-N 2 2 349.866 2.374 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000069452893 202282243 /nfs/dbraw/zinc/28/22/43/202282243.db2.gz TYKQFCFHUHLXCR-MSOLQXFVSA-N 2 2 326.444 2.430 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000069452893 202282248 /nfs/dbraw/zinc/28/22/48/202282248.db2.gz TYKQFCFHUHLXCR-MSOLQXFVSA-N 2 2 326.444 2.430 10 0 EEAELP Cc1cnn(C[C@@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000069979290 202300311 /nfs/dbraw/zinc/30/03/11/202300311.db2.gz AZCXBFWISDFPAM-VQTJNVASSA-N 2 2 342.487 2.149 10 0 EEAELP Cc1cnn(C[C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000069979290 202300312 /nfs/dbraw/zinc/30/03/12/202300312.db2.gz AZCXBFWISDFPAM-VQTJNVASSA-N 2 2 342.487 2.149 10 0 EEAELP Cc1cnn(C[C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000069979290 202300316 /nfs/dbraw/zinc/30/03/16/202300316.db2.gz AZCXBFWISDFPAM-VQTJNVASSA-N 2 2 342.487 2.149 10 0 EEAELP Cc1cnn(C[C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)Cc2ccccc2)c1 ZINC000069979290 202300320 /nfs/dbraw/zinc/30/03/20/202300320.db2.gz AZCXBFWISDFPAM-VQTJNVASSA-N 2 2 342.487 2.149 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727271 240194201 /nfs/dbraw/zinc/19/42/01/240194201.db2.gz BZWJECPCGNUAHL-QMTHXVAHSA-N 2 2 331.229 2.445 10 0 EEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000422727270 240196961 /nfs/dbraw/zinc/19/69/61/240196961.db2.gz BZWJECPCGNUAHL-IINYFYTJSA-N 2 2 331.229 2.445 10 0 EEAELP CC1CCN(c2ccc(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)cn2)CC1 ZINC000422888649 240276150 /nfs/dbraw/zinc/27/61/50/240276150.db2.gz DKXQHFAGAPMEFR-UYAOXDASSA-N 2 2 344.503 2.175 10 0 EEAELP Cn1cc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c2ccc(F)cc21 ZINC000423044306 240339993 /nfs/dbraw/zinc/33/99/93/240339993.db2.gz AFIUVMFGUZFYJI-RBUKOAKNSA-N 2 2 331.435 2.217 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCc2nnc(C)s2)[C@H]2CCC[NH2+]2)cc1 ZINC000423128375 240376726 /nfs/dbraw/zinc/37/67/26/240376726.db2.gz VVCNDUAZKJAVLO-NVXWUHKLSA-N 2 2 332.473 2.481 10 0 EEAELP Cc1[nH+]cc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)n1-c1ccccc1 ZINC000245740654 243151291 /nfs/dbraw/zinc/15/12/91/243151291.db2.gz LSXLWDLRVIMUAU-HOTGVXAUSA-N 2 2 328.460 2.068 10 0 EEAELP Cc1[nH+]cc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)n1-c1ccccc1 ZINC000245740654 243151300 /nfs/dbraw/zinc/15/13/00/243151300.db2.gz LSXLWDLRVIMUAU-HOTGVXAUSA-N 2 2 328.460 2.068 10 0 EEAELP Cn1cc[nH+]c1CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000069461300 203004381 /nfs/dbraw/zinc/00/43/81/203004381.db2.gz XCPKXIGTYGDHAP-INIZCTEOSA-N 2 2 344.434 2.130 10 0 EEAELP Cn1cc[nH+]c1CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000069461300 203004384 /nfs/dbraw/zinc/00/43/84/203004384.db2.gz XCPKXIGTYGDHAP-INIZCTEOSA-N 2 2 344.434 2.130 10 0 EEAELP C[C@@H](NC(=O)NC1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000073485451 203266990 /nfs/dbraw/zinc/26/69/90/203266990.db2.gz ZCZPTGTUARVNNU-CQSZACIVSA-N 2 2 327.432 2.327 10 0 EEAELP Cc1ccc(NCCCNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)[nH+]c1 ZINC000105139333 204135942 /nfs/dbraw/zinc/13/59/42/204135942.db2.gz XSPNJBBUQQETRG-MRXNPFEDSA-N 2 2 331.464 2.072 10 0 EEAELP Cc1ccc(NCCCNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)[nH+]c1 ZINC000105139333 204135944 /nfs/dbraw/zinc/13/59/44/204135944.db2.gz XSPNJBBUQQETRG-MRXNPFEDSA-N 2 2 331.464 2.072 10 0 EEAELP CC(=O)Nc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000109751222 204290942 /nfs/dbraw/zinc/29/09/42/204290942.db2.gz PCEXPYFHGNGTNF-FQEVSTJZSA-N 2 2 344.503 2.247 10 0 EEAELP CC(=O)Nc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000109751222 204290947 /nfs/dbraw/zinc/29/09/47/204290947.db2.gz PCEXPYFHGNGTNF-FQEVSTJZSA-N 2 2 344.503 2.247 10 0 EEAELP Cc1ccc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)nn1 ZINC000177126253 207295786 /nfs/dbraw/zinc/29/57/86/207295786.db2.gz FZBRPATXYIXQBP-UHFFFAOYSA-N 2 2 349.442 2.078 10 0 EEAELP Cc1ccc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)CC2)nn1 ZINC000177126253 207295793 /nfs/dbraw/zinc/29/57/93/207295793.db2.gz FZBRPATXYIXQBP-UHFFFAOYSA-N 2 2 349.442 2.078 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268835315 252285056 /nfs/dbraw/zinc/28/50/56/252285056.db2.gz LNQHWVAZKCJDMJ-HMXCVIKNSA-N 3 2 345.531 2.476 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268835315 252285058 /nfs/dbraw/zinc/28/50/58/252285058.db2.gz LNQHWVAZKCJDMJ-HMXCVIKNSA-N 3 2 345.531 2.476 10 0 EEAELP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262992718 152353405 /nfs/dbraw/zinc/35/34/05/152353405.db2.gz NXVZQRPWGIGJIE-HNNXBMFYSA-N 2 2 325.403 2.142 10 0 EEAELP CCCCc1noc([C@H](C)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000126479918 292311930 /nfs/dbraw/zinc/31/19/30/292311930.db2.gz WKARCHYEMLDPDS-HNNXBMFYSA-N 2 2 337.512 2.431 10 0 EEAELP CCCCc1noc([C@H](C)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000126479918 292311931 /nfs/dbraw/zinc/31/19/31/292311931.db2.gz WKARCHYEMLDPDS-HNNXBMFYSA-N 2 2 337.512 2.431 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000249635266 160383333 /nfs/dbraw/zinc/38/33/33/160383333.db2.gz RSFHHFYFVIDXSR-CRAIPNDOSA-N 2 2 342.491 2.428 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000249635266 160383335 /nfs/dbraw/zinc/38/33/35/160383335.db2.gz RSFHHFYFVIDXSR-CRAIPNDOSA-N 2 2 342.491 2.428 10 0 EEAELP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086249556 159170092 /nfs/dbraw/zinc/17/00/92/159170092.db2.gz OZOBPEPREJJOJP-KSSFIOAISA-N 2 2 342.443 2.079 10 0 EEAELP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086249556 159170095 /nfs/dbraw/zinc/17/00/95/159170095.db2.gz OZOBPEPREJJOJP-KSSFIOAISA-N 2 2 342.443 2.079 10 0 EEAELP Cc1cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)ccc1F ZINC000093562765 159236771 /nfs/dbraw/zinc/23/67/71/159236771.db2.gz HFJRBVOGZVBNNV-UHFFFAOYSA-N 2 2 329.423 2.312 10 0 EEAELP CC1CC[NH+](CCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000105787797 159305039 /nfs/dbraw/zinc/30/50/39/159305039.db2.gz NFLJVRFOWOMCCO-KRWDZBQOSA-N 2 2 347.507 2.362 10 0 EEAELP CC1CC[NH+](CCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000105787797 159305041 /nfs/dbraw/zinc/30/50/41/159305041.db2.gz NFLJVRFOWOMCCO-KRWDZBQOSA-N 2 2 347.507 2.362 10 0 EEAELP Cc1ccccc1C(=O)NC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183187865 159973053 /nfs/dbraw/zinc/97/30/53/159973053.db2.gz SOGYIPJFGNAYPY-UHFFFAOYSA-N 2 2 326.444 2.476 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246550123 160284177 /nfs/dbraw/zinc/28/41/77/160284177.db2.gz DAVRDKLIHOCLRZ-YOEHRIQHSA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246550123 160284179 /nfs/dbraw/zinc/28/41/79/160284179.db2.gz DAVRDKLIHOCLRZ-YOEHRIQHSA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246550123 160284181 /nfs/dbraw/zinc/28/41/81/160284181.db2.gz DAVRDKLIHOCLRZ-YOEHRIQHSA-N 2 2 347.459 2.216 10 0 EEAELP CCOC(=O)c1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246550123 160284182 /nfs/dbraw/zinc/28/41/82/160284182.db2.gz DAVRDKLIHOCLRZ-YOEHRIQHSA-N 2 2 347.459 2.216 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)c1nnnn1-c1ccccc1 ZINC000246945847 160302795 /nfs/dbraw/zinc/30/27/95/160302795.db2.gz HWKXRSDQTIUAFQ-PBHICJAKSA-N 2 2 337.431 2.393 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)c1nnnn1-c1ccccc1 ZINC000246945847 160302797 /nfs/dbraw/zinc/30/27/97/160302797.db2.gz HWKXRSDQTIUAFQ-PBHICJAKSA-N 2 2 337.431 2.393 10 0 EEAELP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000337391527 160640326 /nfs/dbraw/zinc/64/03/26/160640326.db2.gz NQLOUQLOKQNMKY-UWVAXJGDSA-N 2 2 342.487 2.289 10 0 EEAELP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000345521349 161308386 /nfs/dbraw/zinc/30/83/86/161308386.db2.gz HKOYWOPRUSNOND-UHFFFAOYSA-N 2 2 326.444 2.220 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000360697273 164365269 /nfs/dbraw/zinc/36/52/69/164365269.db2.gz HKAYKESQMPVAEA-QGZVFWFLSA-N 2 2 345.443 2.175 10 0 EEAELP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000364327807 165096869 /nfs/dbraw/zinc/09/68/69/165096869.db2.gz KXPSWYLTBMTHMW-ZWKOTPCHSA-N 2 2 343.427 2.415 10 0 EEAELP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000364327807 165096872 /nfs/dbraw/zinc/09/68/72/165096872.db2.gz KXPSWYLTBMTHMW-ZWKOTPCHSA-N 2 2 343.427 2.415 10 0 EEAELP CCN(C(=O)CCC[NH3+])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364851148 165294430 /nfs/dbraw/zinc/29/44/30/165294430.db2.gz OMQVWBGIAXIIQJ-UHFFFAOYSA-N 2 2 347.507 2.465 10 0 EEAELP Cc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369275882 166226968 /nfs/dbraw/zinc/22/69/68/166226968.db2.gz ZJZPOWHNABOQQA-GOSISDBHSA-N 2 2 329.488 2.212 10 0 EEAELP Cc1ccc(CCC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000369275882 166226970 /nfs/dbraw/zinc/22/69/70/166226970.db2.gz ZJZPOWHNABOQQA-GOSISDBHSA-N 2 2 329.488 2.212 10 0 EEAELP COCCc1noc(C[N@@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n1 ZINC000369899344 166353727 /nfs/dbraw/zinc/35/37/27/166353727.db2.gz GZWKQFIPVSQPFM-CQSZACIVSA-N 2 2 331.420 2.038 10 0 EEAELP COCCc1noc(C[N@H+]2CCC[C@@H]2CNc2cccc(C)[nH+]2)n1 ZINC000369899344 166353730 /nfs/dbraw/zinc/35/37/30/166353730.db2.gz GZWKQFIPVSQPFM-CQSZACIVSA-N 2 2 331.420 2.038 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCCSc3ccccc3)C2)C1 ZINC000292133466 275381992 /nfs/dbraw/zinc/38/19/92/275381992.db2.gz LOQBQAOQSMJHEK-IBGZPJMESA-N 2 2 347.528 2.313 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCCSc3ccccc3)C2)C1 ZINC000292133466 275381994 /nfs/dbraw/zinc/38/19/94/275381994.db2.gz LOQBQAOQSMJHEK-IBGZPJMESA-N 2 2 347.528 2.313 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCCSc3ccccc3)C2)C1 ZINC000292133466 275381995 /nfs/dbraw/zinc/38/19/95/275381995.db2.gz LOQBQAOQSMJHEK-IBGZPJMESA-N 2 2 347.528 2.313 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCCSc3ccccc3)C2)C1 ZINC000292133466 275381996 /nfs/dbraw/zinc/38/19/96/275381996.db2.gz LOQBQAOQSMJHEK-IBGZPJMESA-N 2 2 347.528 2.313 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000340463136 276430482 /nfs/dbraw/zinc/43/04/82/276430482.db2.gz NXSFCXXADLKGIK-PKOBYXMFSA-N 2 2 343.475 2.492 10 0 EEAELP C[C@@H]1Cc2cccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2O1 ZINC000449884047 279015410 /nfs/dbraw/zinc/01/54/10/279015410.db2.gz AGORDLSCKCANND-OAHLLOKOSA-N 2 2 345.487 2.108 10 0 EEAELP C[C@@H]1Cc2cccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2O1 ZINC000449884047 279015411 /nfs/dbraw/zinc/01/54/11/279015411.db2.gz AGORDLSCKCANND-OAHLLOKOSA-N 2 2 345.487 2.108 10 0 EEAELP CC(C)[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000370680355 280247273 /nfs/dbraw/zinc/24/72/73/280247273.db2.gz GJXPJEJDTHKKQL-QAPCUYQASA-N 2 2 347.507 2.323 10 0 EEAELP CC(C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000370680355 280247276 /nfs/dbraw/zinc/24/72/76/280247276.db2.gz GJXPJEJDTHKKQL-QAPCUYQASA-N 2 2 347.507 2.323 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000246242464 288219545 /nfs/dbraw/zinc/21/95/45/288219545.db2.gz IYFDSPSJZTXHEM-KCYZZUKISA-N 2 2 331.460 2.362 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc(C3CC3)n2)CC1 ZINC000296718692 294048842 /nfs/dbraw/zinc/04/88/42/294048842.db2.gz BMHNNTHMEQEIFQ-UHFFFAOYSA-N 2 2 331.464 2.107 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298018301 294397775 /nfs/dbraw/zinc/39/77/75/294397775.db2.gz FMAVUZZLFFQGGN-KRWDZBQOSA-N 2 2 341.459 2.319 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298018301 294397778 /nfs/dbraw/zinc/39/77/78/294397778.db2.gz FMAVUZZLFFQGGN-KRWDZBQOSA-N 2 2 341.459 2.319 10 0 EEAELP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)[NH+](C)C)c1 ZINC000262042337 295325934 /nfs/dbraw/zinc/32/59/34/295325934.db2.gz YRLNNKCDCSFVCT-NMLBUPMWSA-N 2 2 347.503 2.045 10 0 EEAELP C[C@H](C1CC1)N(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000080493519 298255431 /nfs/dbraw/zinc/25/54/31/298255431.db2.gz QDUVWJYQNHTWTC-MRXNPFEDSA-N 2 2 336.524 2.377 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000341410378 312261367 /nfs/dbraw/zinc/26/13/67/312261367.db2.gz XCKLYTLKLNNHLL-IYBDPMFKSA-N 2 2 333.480 2.446 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCNc1cccc[nH+]1 ZINC000341410378 312261370 /nfs/dbraw/zinc/26/13/70/312261370.db2.gz XCKLYTLKLNNHLL-IYBDPMFKSA-N 2 2 333.480 2.446 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)[C@H](C)C[NH3+])c(C)c1 ZINC000417908932 313645869 /nfs/dbraw/zinc/64/58/69/313645869.db2.gz BZSUREXHFQCISG-NVXWUHKLSA-N 2 2 329.448 2.230 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)[C@H](C)[NH3+])c(C)c1 ZINC000417931163 313654830 /nfs/dbraw/zinc/65/48/30/313654830.db2.gz LCQKBYSTXQQKRM-UXLLHSPISA-N 2 2 329.448 2.276 10 0 EEAELP O=C(NCC[NH+]1CCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541464461 318099850 /nfs/dbraw/zinc/09/98/50/318099850.db2.gz CSLWIGMWSLBHOD-INIZCTEOSA-N 2 2 330.476 2.315 10 0 EEAELP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(Cc3[nH+]ccn3C)C1=O)CC2 ZINC000542153071 318122749 /nfs/dbraw/zinc/12/27/49/318122749.db2.gz DLBVPSPUEKXBPW-ROUUACIJSA-N 2 2 338.455 2.497 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1c1ccccc1 ZINC000544622130 318193207 /nfs/dbraw/zinc/19/32/07/318193207.db2.gz RXGDOKNOHMHUMU-YLJYHZDGSA-N 2 2 338.455 2.324 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1c1ccccc1 ZINC000544622130 318193210 /nfs/dbraw/zinc/19/32/10/318193210.db2.gz RXGDOKNOHMHUMU-YLJYHZDGSA-N 2 2 338.455 2.324 10 0 EEAELP Cc1ccn2cc(CNC(=O)NCC[N@H+]3CC=C(C)CC3)[nH+]c2c1 ZINC000545152594 318204224 /nfs/dbraw/zinc/20/42/24/318204224.db2.gz LCMZSDKCLWBOTR-UHFFFAOYSA-N 2 2 327.432 2.094 10 0 EEAELP Cc1ccn2cc(CNC(=O)NCC[N@@H+]3CC=C(C)CC3)[nH+]c2c1 ZINC000545152594 318204226 /nfs/dbraw/zinc/20/42/26/318204226.db2.gz LCMZSDKCLWBOTR-UHFFFAOYSA-N 2 2 327.432 2.094 10 0 EEAELP CC[NH2+]CCCNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000560959848 318818475 /nfs/dbraw/zinc/81/84/75/318818475.db2.gz FVDGEBNFZJLZBD-UHFFFAOYSA-N 2 2 325.482 2.250 10 0 EEAELP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)n[nH]1 ZINC000567254634 319364151 /nfs/dbraw/zinc/36/41/51/319364151.db2.gz LXBYAWKIKSLEMC-GOSISDBHSA-N 2 2 340.471 2.428 10 0 EEAELP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)n[nH]1 ZINC000567254634 319364152 /nfs/dbraw/zinc/36/41/52/319364152.db2.gz LXBYAWKIKSLEMC-GOSISDBHSA-N 2 2 340.471 2.428 10 0 EEAELP CC[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)CC1 ZINC000567417318 319377957 /nfs/dbraw/zinc/37/79/57/319377957.db2.gz ZOEGDIFOFSDBME-HNNXBMFYSA-N 2 2 332.492 2.486 10 0 EEAELP CC[NH+]1CCC(CNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000567417318 319377959 /nfs/dbraw/zinc/37/79/59/319377959.db2.gz ZOEGDIFOFSDBME-HNNXBMFYSA-N 2 2 332.492 2.486 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000575845824 320118592 /nfs/dbraw/zinc/11/85/92/320118592.db2.gz NXEZJBXJZCSOMC-INIZCTEOSA-N 2 2 344.434 2.130 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000575845824 320118594 /nfs/dbraw/zinc/11/85/94/320118594.db2.gz NXEZJBXJZCSOMC-INIZCTEOSA-N 2 2 344.434 2.130 10 0 EEAELP CCc1cccc(C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000576232249 320153447 /nfs/dbraw/zinc/15/34/47/320153447.db2.gz JJYQWNBVLZQKOZ-QGZVFWFLSA-N 2 2 326.444 2.263 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3CCc4ccccc4[C@@H]3C[NH3+])[nH+]c2c1 ZINC000578440802 320314732 /nfs/dbraw/zinc/31/47/32/320314732.db2.gz MGYLUQIIJRMFHQ-SFHVURJKSA-N 2 2 349.438 2.410 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1n1cccn1 ZINC000583645778 324704981 /nfs/dbraw/zinc/70/49/81/324704981.db2.gz NNVCYBIRLHRZIQ-SCTDSRPQSA-N 2 2 341.459 2.255 10 0 EEAELP CCc1ncc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)o1 ZINC000583688979 324712234 /nfs/dbraw/zinc/71/22/34/324712234.db2.gz MWTJLLZQGGJEEC-AWEZNQCLSA-N 2 2 328.416 2.354 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000583741979 324722356 /nfs/dbraw/zinc/72/23/56/324722356.db2.gz SNQBYFCDOYAOCJ-BETUJISGSA-N 2 2 333.823 2.024 10 0 EEAELP CCC[C@H]1C[NH2+]CCN1C(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000529366779 448841872 /nfs/dbraw/zinc/84/18/72/448841872.db2.gz MVJHEZQUIQOQFI-HNNXBMFYSA-N 2 2 348.495 2.104 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000073871037 463664570 /nfs/dbraw/zinc/66/45/70/463664570.db2.gz JEJGQJXDOIINDH-KRWDZBQOSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOC(C)(C)C2)CC1 ZINC000073871037 463664574 /nfs/dbraw/zinc/66/45/74/463664574.db2.gz JEJGQJXDOIINDH-KRWDZBQOSA-N 2 2 345.487 2.003 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351612803 465250916 /nfs/dbraw/zinc/25/09/16/465250916.db2.gz YCDYZVNZIAHEBW-KUHUBIRLSA-N 3 2 328.460 2.286 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351612803 465250918 /nfs/dbraw/zinc/25/09/18/465250918.db2.gz YCDYZVNZIAHEBW-KUHUBIRLSA-N 3 2 328.460 2.286 10 0 EEAELP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000355752942 465270313 /nfs/dbraw/zinc/27/03/13/465270313.db2.gz XTYBCRXKRPOYDE-ZACQAIPSSA-N 2 2 333.476 2.290 10 0 EEAELP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000355752942 465270317 /nfs/dbraw/zinc/27/03/17/465270317.db2.gz XTYBCRXKRPOYDE-ZACQAIPSSA-N 2 2 333.476 2.290 10 0 EEAELP COC(=O)c1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1C ZINC000347895436 465292536 /nfs/dbraw/zinc/29/25/36/465292536.db2.gz FDWBINPAZPTBST-UHFFFAOYSA-N 2 2 338.411 2.346 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490946 462592029 /nfs/dbraw/zinc/59/20/29/462592029.db2.gz VVWAOJVEHQOJTG-INIZCTEOSA-N 2 2 345.491 2.355 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490946 462592036 /nfs/dbraw/zinc/59/20/36/462592036.db2.gz VVWAOJVEHQOJTG-INIZCTEOSA-N 2 2 345.491 2.355 10 0 EEAELP COC[C@@H](O)C[NH+]1CCC([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000089409722 462677142 /nfs/dbraw/zinc/67/71/42/462677142.db2.gz RNWYURKDVODFLB-ZDUSSCGKSA-N 2 2 330.831 2.040 10 0 EEAELP Cc1cc(NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc[nH+]1 ZINC000119719364 462925395 /nfs/dbraw/zinc/92/53/95/462925395.db2.gz STZRPAZDFIZIOF-SFHVURJKSA-N 2 2 340.427 2.273 10 0 EEAELP Clc1c[nH+]ccc1N1CCC(OCC[NH+]2CCOCC2)CC1 ZINC000095408660 463078938 /nfs/dbraw/zinc/07/89/38/463078938.db2.gz UKHKUWVRINNWGV-UHFFFAOYSA-N 2 2 325.840 2.053 10 0 EEAELP COc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000095405556 463079048 /nfs/dbraw/zinc/07/90/48/463079048.db2.gz XHYDGDJHVVTVGS-IAGOWNOFSA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000095405556 463079053 /nfs/dbraw/zinc/07/90/53/463079053.db2.gz XHYDGDJHVVTVGS-IAGOWNOFSA-N 2 2 345.487 2.242 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000052992768 463124373 /nfs/dbraw/zinc/12/43/73/463124373.db2.gz RMJRBEJOXUTKDT-UHFFFAOYSA-N 2 2 335.411 2.322 10 0 EEAELP Cc1oc2ccccc2c1C[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1 ZINC000095988260 463129822 /nfs/dbraw/zinc/12/98/22/463129822.db2.gz NLCHFXRLYUQHCW-UHFFFAOYSA-N 2 2 329.444 2.383 10 0 EEAELP O=C(NCCc1cn2ccccc2[nH+]1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000590849652 468357229 /nfs/dbraw/zinc/35/72/29/468357229.db2.gz PKAHPTHFJXEAEM-INIZCTEOSA-N 2 2 338.415 2.120 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC000072255125 463487969 /nfs/dbraw/zinc/48/79/69/463487969.db2.gz OHYOTHRSQXJLNA-IEBWSBKVSA-N 2 2 338.455 2.460 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000151338748 463515286 /nfs/dbraw/zinc/51/52/86/463515286.db2.gz VVGHSLBSRGGOAW-UHFFFAOYSA-N 3 2 327.476 2.205 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000084632992 463618063 /nfs/dbraw/zinc/61/80/63/463618063.db2.gz HVZHQLPDAVSMGK-KGLIPLIRSA-N 2 2 330.436 2.155 10 0 EEAELP C[C@H](C(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000111563146 463679597 /nfs/dbraw/zinc/67/95/97/463679597.db2.gz DCCXUSAALDQNPO-VQIMIIECSA-N 2 2 327.472 2.130 10 0 EEAELP C[C@H](C(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000111563146 463679603 /nfs/dbraw/zinc/67/96/03/463679603.db2.gz DCCXUSAALDQNPO-VQIMIIECSA-N 2 2 327.472 2.130 10 0 EEAELP C[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000111563146 463679606 /nfs/dbraw/zinc/67/96/06/463679606.db2.gz DCCXUSAALDQNPO-VQIMIIECSA-N 2 2 327.472 2.130 10 0 EEAELP C[C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000111563146 463679610 /nfs/dbraw/zinc/67/96/10/463679610.db2.gz DCCXUSAALDQNPO-VQIMIIECSA-N 2 2 327.472 2.130 10 0 EEAELP CCO[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)C12CCOCC2 ZINC000186237925 463959282 /nfs/dbraw/zinc/95/92/82/463959282.db2.gz JCIOWDUEIQYUPI-IRXDYDNUSA-N 2 2 342.443 2.331 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCCCCC2)C1 ZINC000195282712 464031801 /nfs/dbraw/zinc/03/18/01/464031801.db2.gz QFQRXDBORGZMGH-IBGZPJMESA-N 2 2 344.503 2.238 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCCCCC2)C1 ZINC000195282712 464031805 /nfs/dbraw/zinc/03/18/05/464031805.db2.gz QFQRXDBORGZMGH-IBGZPJMESA-N 2 2 344.503 2.238 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000195282712 464031811 /nfs/dbraw/zinc/03/18/11/464031811.db2.gz QFQRXDBORGZMGH-IBGZPJMESA-N 2 2 344.503 2.238 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000195282712 464031813 /nfs/dbraw/zinc/03/18/13/464031813.db2.gz QFQRXDBORGZMGH-IBGZPJMESA-N 2 2 344.503 2.238 10 0 EEAELP CCCCOCCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516328 464063771 /nfs/dbraw/zinc/06/37/71/464063771.db2.gz HEGIDUDKYSIVLZ-QGZVFWFLSA-N 2 2 348.491 2.057 10 0 EEAELP CCCCOCCNC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516328 464063777 /nfs/dbraw/zinc/06/37/77/464063777.db2.gz HEGIDUDKYSIVLZ-QGZVFWFLSA-N 2 2 348.491 2.057 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263231626 464068527 /nfs/dbraw/zinc/06/85/27/464068527.db2.gz NNOHOYLMPNORGK-ILXRZTDVSA-N 2 2 329.435 2.097 10 0 EEAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263231626 464068531 /nfs/dbraw/zinc/06/85/31/464068531.db2.gz NNOHOYLMPNORGK-ILXRZTDVSA-N 2 2 329.435 2.097 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ccc1O ZINC000180169128 464257370 /nfs/dbraw/zinc/25/73/70/464257370.db2.gz DCTDYTLBSSSDLX-MSOLQXFVSA-N 2 2 342.439 2.126 10 0 EEAELP COc1cc(C[NH2+]C[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)ccc1O ZINC000180169128 464257374 /nfs/dbraw/zinc/25/73/74/464257374.db2.gz DCTDYTLBSSSDLX-MSOLQXFVSA-N 2 2 342.439 2.126 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000173450787 464263669 /nfs/dbraw/zinc/26/36/69/464263669.db2.gz WRSFUGFBYDRQQE-UHFFFAOYSA-N 2 2 335.496 2.460 10 0 EEAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2ccc(CO)o2)CCC[N@H+]1C1CC1 ZINC000284661286 464283196 /nfs/dbraw/zinc/28/31/96/464283196.db2.gz VXPFCBZMLPMLRL-IFXJQAMLSA-N 2 2 344.459 2.211 10 0 EEAELP CCn1cc([C@H](C)[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000180578207 464341333 /nfs/dbraw/zinc/34/13/33/464341333.db2.gz SLTCZKYKFJDXQN-DZGCQCFKSA-N 2 2 329.452 2.054 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000245430752 464480854 /nfs/dbraw/zinc/48/08/54/464480854.db2.gz NRZLLOLTUQDZPS-PKOBYXMFSA-N 2 2 343.515 2.497 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000245430752 464480858 /nfs/dbraw/zinc/48/08/58/464480858.db2.gz NRZLLOLTUQDZPS-PKOBYXMFSA-N 2 2 343.515 2.497 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000245430752 464480868 /nfs/dbraw/zinc/48/08/68/464480868.db2.gz NRZLLOLTUQDZPS-PKOBYXMFSA-N 2 2 343.515 2.497 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCC2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000245430752 464480876 /nfs/dbraw/zinc/48/08/76/464480876.db2.gz NRZLLOLTUQDZPS-PKOBYXMFSA-N 2 2 343.515 2.497 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@H](C)C1 ZINC000190004477 464583793 /nfs/dbraw/zinc/58/37/93/464583793.db2.gz LEQIXOMZUBIJFE-NVXWUHKLSA-N 2 2 349.523 2.309 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C3CCC3)n2C)[C@H](C)C1 ZINC000190004477 464583796 /nfs/dbraw/zinc/58/37/96/464583796.db2.gz LEQIXOMZUBIJFE-NVXWUHKLSA-N 2 2 349.523 2.309 10 0 EEAELP c1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nnn1Cc1cccnc1 ZINC000182988908 464772324 /nfs/dbraw/zinc/77/23/24/464772324.db2.gz BIWUTHQKHIHSMA-UHFFFAOYSA-N 2 2 340.475 2.029 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248639635 464778257 /nfs/dbraw/zinc/77/82/57/464778257.db2.gz BMLDOLNNMALGKZ-DZFGPLHGSA-N 2 2 337.467 2.494 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248639635 464778261 /nfs/dbraw/zinc/77/82/61/464778261.db2.gz BMLDOLNNMALGKZ-DZFGPLHGSA-N 2 2 337.467 2.494 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248639635 464778265 /nfs/dbraw/zinc/77/82/65/464778265.db2.gz BMLDOLNNMALGKZ-DZFGPLHGSA-N 2 2 337.467 2.494 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+]([C@H]2Cc3ccccc3[C@H]2O)C1 ZINC000248639635 464778269 /nfs/dbraw/zinc/77/82/69/464778269.db2.gz BMLDOLNNMALGKZ-DZFGPLHGSA-N 2 2 337.467 2.494 10 0 EEAELP COCc1ccccc1CNC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266790428 464823595 /nfs/dbraw/zinc/82/35/95/464823595.db2.gz WWADNVOMSSHUPX-UHFFFAOYSA-N 2 2 342.443 2.052 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249002640 464829350 /nfs/dbraw/zinc/82/93/50/464829350.db2.gz QFFNZOHPXUHFQO-CJYSPXJISA-N 2 2 343.805 2.041 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249002640 464829352 /nfs/dbraw/zinc/82/93/52/464829352.db2.gz QFFNZOHPXUHFQO-CJYSPXJISA-N 2 2 343.805 2.041 10 0 EEAELP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000249783744 464915742 /nfs/dbraw/zinc/91/57/42/464915742.db2.gz QXNNEJKBXCLTMQ-OAGGEKHMSA-N 2 2 347.507 2.313 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1=O ZINC000360992027 465687497 /nfs/dbraw/zinc/68/74/97/465687497.db2.gz YSOUKRNGDUZAIW-XBFCOCLRSA-N 2 2 333.398 2.002 10 0 EEAELP OC[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000348642143 465724315 /nfs/dbraw/zinc/72/43/15/465724315.db2.gz NPIJBZRPVDUAKP-UXHICEINSA-N 2 2 325.456 2.412 10 0 EEAELP OC[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000348642143 465724319 /nfs/dbraw/zinc/72/43/19/465724319.db2.gz NPIJBZRPVDUAKP-UXHICEINSA-N 2 2 325.456 2.412 10 0 EEAELP OC[C@H](C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000348642142 465724852 /nfs/dbraw/zinc/72/48/52/465724852.db2.gz NPIJBZRPVDUAKP-PMACEKPBSA-N 2 2 325.456 2.412 10 0 EEAELP OC[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccnc1 ZINC000348642142 465724854 /nfs/dbraw/zinc/72/48/54/465724854.db2.gz NPIJBZRPVDUAKP-PMACEKPBSA-N 2 2 325.456 2.412 10 0 EEAELP Cc1[nH+]ccn1CCCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000338004534 465744829 /nfs/dbraw/zinc/74/48/29/465744829.db2.gz UIYJWGIAPLRJTH-UHFFFAOYSA-N 2 2 346.822 2.382 10 0 EEAELP c1cn(-c2csc(C[N@H+]3CC[C@@H](CN4CCOCC4)C3)c2)c[nH+]1 ZINC000346197258 465982950 /nfs/dbraw/zinc/98/29/50/465982950.db2.gz DUTLOEIYRQPWRV-HNNXBMFYSA-N 2 2 332.473 2.088 10 0 EEAELP c1cn(-c2csc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)c2)c[nH+]1 ZINC000346197258 465982954 /nfs/dbraw/zinc/98/29/54/465982954.db2.gz DUTLOEIYRQPWRV-HNNXBMFYSA-N 2 2 332.473 2.088 10 0 EEAELP Cc1nc(N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)nc(N(C)C)[nH+]1 ZINC000346223227 466005095 /nfs/dbraw/zinc/00/50/95/466005095.db2.gz QCWZGOSDTZSDEY-KRWDZBQOSA-N 2 2 342.491 2.815 10 0 EEAELP Cc1nc(N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)nc(N(C)C)[nH+]1 ZINC000346223227 466005102 /nfs/dbraw/zinc/00/51/02/466005102.db2.gz QCWZGOSDTZSDEY-KRWDZBQOSA-N 2 2 342.491 2.815 10 0 EEAELP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(Cl)ccc1F ZINC000338343034 466043292 /nfs/dbraw/zinc/04/32/92/466043292.db2.gz KAVZCLHGQNNBHH-UHFFFAOYSA-N 2 2 327.831 2.075 10 0 EEAELP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(Cl)ccc1F ZINC000338343034 466043303 /nfs/dbraw/zinc/04/33/03/466043303.db2.gz KAVZCLHGQNNBHH-UHFFFAOYSA-N 2 2 327.831 2.075 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000361517631 466064970 /nfs/dbraw/zinc/06/49/70/466064970.db2.gz FATFQGRDWUXPNM-MRXNPFEDSA-N 2 2 346.475 2.003 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@H]2CCC[C@@H]21 ZINC000353686785 466066782 /nfs/dbraw/zinc/06/67/82/466066782.db2.gz XSVCDAVWRSMULB-RDBSUJKOSA-N 2 2 328.503 2.114 10 0 EEAELP COc1cc2[nH+]c(NCC[N@H+]3CC=C(C)CC3)nc(N)c2cc1OC ZINC000302162245 466109701 /nfs/dbraw/zinc/10/97/01/466109701.db2.gz PYIMJNOUQHSPFM-UHFFFAOYSA-N 2 2 343.431 2.293 10 0 EEAELP COc1cc2[nH+]c(NCC[N@@H+]3CC=C(C)CC3)nc(N)c2cc1OC ZINC000302162245 466109708 /nfs/dbraw/zinc/10/97/08/466109708.db2.gz PYIMJNOUQHSPFM-UHFFFAOYSA-N 2 2 343.431 2.293 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000367150736 466160713 /nfs/dbraw/zinc/16/07/13/466160713.db2.gz IYPUCWAJHHAATK-MAUKXSAKSA-N 2 2 329.444 2.317 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000367150736 466160722 /nfs/dbraw/zinc/16/07/22/466160722.db2.gz IYPUCWAJHHAATK-MAUKXSAKSA-N 2 2 329.444 2.317 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000367150736 466160728 /nfs/dbraw/zinc/16/07/28/466160728.db2.gz IYPUCWAJHHAATK-MAUKXSAKSA-N 2 2 329.444 2.317 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000367150736 466160732 /nfs/dbraw/zinc/16/07/32/466160732.db2.gz IYPUCWAJHHAATK-MAUKXSAKSA-N 2 2 329.444 2.317 10 0 EEAELP CC[C@@H](CO)[NH+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302671488 466165302 /nfs/dbraw/zinc/16/53/02/466165302.db2.gz RQHOODQWRAZBCO-HNNXBMFYSA-N 2 2 329.444 2.445 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCO[C@@H](C)[C@H]2C)CC1 ZINC000361675146 466196266 /nfs/dbraw/zinc/19/62/66/466196266.db2.gz KGEROTRJCCDQTR-KURKYZTESA-N 2 2 345.487 2.001 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCO[C@@H](C)[C@H]2C)CC1 ZINC000361675146 466196276 /nfs/dbraw/zinc/19/62/76/466196276.db2.gz KGEROTRJCCDQTR-KURKYZTESA-N 2 2 345.487 2.001 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000340596189 466197058 /nfs/dbraw/zinc/19/70/58/466197058.db2.gz KRKFSFPPRWDHCP-MRXNPFEDSA-N 2 2 347.484 2.151 10 0 EEAELP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccnc1 ZINC000353972403 466292854 /nfs/dbraw/zinc/29/28/54/466292854.db2.gz NKFXRLNUNGKQSM-DLZDZTESSA-N 2 2 344.503 2.452 10 0 EEAELP CC(C)[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccnc1 ZINC000353972403 466292859 /nfs/dbraw/zinc/29/28/59/466292859.db2.gz NKFXRLNUNGKQSM-DLZDZTESSA-N 2 2 344.503 2.452 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NCC[N@H+]3CC=C(C)CC3)cn21 ZINC000358187711 466524393 /nfs/dbraw/zinc/52/43/93/466524393.db2.gz KBZBGXKILKUYSJ-UHFFFAOYSA-N 2 2 327.432 2.094 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NCC[N@@H+]3CC=C(C)CC3)cn21 ZINC000358187711 466524404 /nfs/dbraw/zinc/52/44/04/466524404.db2.gz KBZBGXKILKUYSJ-UHFFFAOYSA-N 2 2 327.432 2.094 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O)Cc1ccccc1 ZINC000347313891 466557349 /nfs/dbraw/zinc/55/73/49/466557349.db2.gz DPYXZFRLKHWOBR-SJLPKXTDSA-N 2 2 340.471 2.380 10 0 EEAELP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422733680 466681539 /nfs/dbraw/zinc/68/15/39/466681539.db2.gz BTPGYWBYDBVPLE-NMLACTOBSA-N 2 2 329.488 2.179 10 0 EEAELP CC[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000422803395 466683269 /nfs/dbraw/zinc/68/32/69/466683269.db2.gz FTJVLIXFQNCHPD-HKBOAZHASA-N 2 2 343.515 2.180 10 0 EEAELP CC[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)[N@H+]1CCc2ccccc2C1 ZINC000422803395 466683271 /nfs/dbraw/zinc/68/32/71/466683271.db2.gz FTJVLIXFQNCHPD-HKBOAZHASA-N 2 2 343.515 2.180 10 0 EEAELP CC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)N1CCc2ccccc2C1 ZINC000422803395 466683277 /nfs/dbraw/zinc/68/32/77/466683277.db2.gz FTJVLIXFQNCHPD-HKBOAZHASA-N 2 2 343.515 2.180 10 0 EEAELP Fc1ccc([C@@H]2C[C@H]([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CCO2)cc1 ZINC000423039333 466690631 /nfs/dbraw/zinc/69/06/31/466690631.db2.gz QIYJSCYQSRGWPD-HCXYKTFWSA-N 2 2 334.435 2.402 10 0 EEAELP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)ccc1S(C)(=O)=O ZINC000423239259 466702692 /nfs/dbraw/zinc/70/26/92/466702692.db2.gz JQWNSFWHUPUTKO-BBRMVZONSA-N 2 2 348.468 2.449 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1)CC2 ZINC000374649093 466704374 /nfs/dbraw/zinc/70/43/74/466704374.db2.gz RYTGCJZRROZMRB-QGZVFWFLSA-N 2 2 347.507 2.473 10 0 EEAELP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000417078817 466772840 /nfs/dbraw/zinc/77/28/40/466772840.db2.gz QPUGXYGXNHJJFS-OAHLLOKOSA-N 2 2 341.459 2.200 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](C)C[NH3+])c(C)c1 ZINC000417943282 466996206 /nfs/dbraw/zinc/99/62/06/466996206.db2.gz UUPKDMGXCQUHLC-RHSMWYFYSA-N 2 2 329.448 2.135 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417947418 466998282 /nfs/dbraw/zinc/99/82/82/466998282.db2.gz TWDVGZBKZFHEPC-KBPBESRZSA-N 2 2 342.846 2.261 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417947418 466998286 /nfs/dbraw/zinc/99/82/86/466998286.db2.gz TWDVGZBKZFHEPC-KBPBESRZSA-N 2 2 342.846 2.261 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952022 467000626 /nfs/dbraw/zinc/00/06/26/467000626.db2.gz ZLEBBAUCYRGROR-NILFDRSVSA-N 2 2 342.846 2.261 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417952022 467000632 /nfs/dbraw/zinc/00/06/32/467000632.db2.gz ZLEBBAUCYRGROR-NILFDRSVSA-N 2 2 342.846 2.261 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H]2C2CCC2)([NH+]2CCCCC2)CC1 ZINC000425624709 467116390 /nfs/dbraw/zinc/11/63/90/467116390.db2.gz RFYRQIACLUWDGM-ZWKOTPCHSA-N 2 2 348.535 2.425 10 0 EEAELP O=C1CC[C@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1 ZINC000450929250 467208656 /nfs/dbraw/zinc/20/86/56/467208656.db2.gz UBQXVWRLRXXPCI-HOTGVXAUSA-N 2 2 330.476 2.315 10 0 EEAELP O=C1CC[C@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCN1 ZINC000450929250 467208661 /nfs/dbraw/zinc/20/86/61/467208661.db2.gz UBQXVWRLRXXPCI-HOTGVXAUSA-N 2 2 330.476 2.315 10 0 EEAELP C[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)[C@@H]1c1ccccc1 ZINC000432121884 467216764 /nfs/dbraw/zinc/21/67/64/467216764.db2.gz YYIPLFQTTCTDKP-ZYSHUDEJSA-N 2 2 329.488 2.178 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)[nH+]1 ZINC000451092120 467245388 /nfs/dbraw/zinc/24/53/88/467245388.db2.gz LKJOZHJLEHTUFA-QGZVFWFLSA-N 2 2 346.519 2.470 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)[nH+]1 ZINC000451092120 467245391 /nfs/dbraw/zinc/24/53/91/467245391.db2.gz LKJOZHJLEHTUFA-QGZVFWFLSA-N 2 2 346.519 2.470 10 0 EEAELP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000429553844 467345929 /nfs/dbraw/zinc/34/59/29/467345929.db2.gz QNBMUJKGBXFAHK-QGZVFWFLSA-N 2 2 328.460 2.039 10 0 EEAELP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000429553844 467345934 /nfs/dbraw/zinc/34/59/34/467345934.db2.gz QNBMUJKGBXFAHK-QGZVFWFLSA-N 2 2 328.460 2.039 10 0 EEAELP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[NH+]1CCCCC1 ZINC000414058531 467371205 /nfs/dbraw/zinc/37/12/05/467371205.db2.gz HLHQGDSBVFCJHS-CYBMUJFWSA-N 2 2 342.281 2.075 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000420376448 467385443 /nfs/dbraw/zinc/38/54/43/467385443.db2.gz PBRKMKGDLFFSCY-IBGZPJMESA-N 2 2 327.472 2.258 10 0 EEAELP O=C(C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000420376448 467385445 /nfs/dbraw/zinc/38/54/45/467385445.db2.gz PBRKMKGDLFFSCY-IBGZPJMESA-N 2 2 327.472 2.258 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297747 467399559 /nfs/dbraw/zinc/39/95/59/467399559.db2.gz GNNNCPYUMZBPQS-FXAWDEMLSA-N 3 2 343.515 2.086 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414297747 467399564 /nfs/dbraw/zinc/39/95/64/467399564.db2.gz GNNNCPYUMZBPQS-FXAWDEMLSA-N 3 2 343.515 2.086 10 0 EEAELP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1ccc2c(c1)OCCO2 ZINC000414307539 467400081 /nfs/dbraw/zinc/40/00/81/467400081.db2.gz FIDOGGNNPNZTAH-HNNXBMFYSA-N 2 2 330.432 2.498 10 0 EEAELP COc1cccc(N2CC[C@@H](C[NH2+]Cc3c[nH+]c(N(C)C)n3C)C2)c1 ZINC000414330888 467403607 /nfs/dbraw/zinc/40/36/07/467403607.db2.gz CJQSMJMXCLSKTO-HNNXBMFYSA-N 2 2 343.475 2.111 10 0 EEAELP CCc1ccc([C@@H](CNC(=O)NCCc2cn(C)c[nH+]2)[NH+](C)C)cc1 ZINC000457475997 467832751 /nfs/dbraw/zinc/83/27/51/467832751.db2.gz JWPDGFTYQDSASS-GOSISDBHSA-N 2 2 343.475 2.127 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC(=O)NC1(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000494894982 468080778 /nfs/dbraw/zinc/08/07/78/468080778.db2.gz TZUKGBBIOCDZGN-QGZVFWFLSA-N 2 2 329.488 2.470 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC(=O)NC1(C)C)[N@H+]1CCc2ccccc2C1 ZINC000494894982 468080780 /nfs/dbraw/zinc/08/07/80/468080780.db2.gz TZUKGBBIOCDZGN-QGZVFWFLSA-N 2 2 329.488 2.470 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571523763 468800525 /nfs/dbraw/zinc/80/05/25/468800525.db2.gz VQGHNQBJPKKBKA-VZAMPYOESA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571523763 468800530 /nfs/dbraw/zinc/80/05/30/468800530.db2.gz VQGHNQBJPKKBKA-VZAMPYOESA-N 2 2 339.842 2.468 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COCc1ccc(Cl)cc1 ZINC000584346747 468850988 /nfs/dbraw/zinc/85/09/88/468850988.db2.gz ABGQRHVWTINWKO-CABCVRRESA-N 2 2 335.835 2.088 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)COCc1ccc(Cl)cc1 ZINC000584346747 468850991 /nfs/dbraw/zinc/85/09/91/468850991.db2.gz ABGQRHVWTINWKO-CABCVRRESA-N 2 2 335.835 2.088 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@H]1CCCc2ccccc21 ZINC000584351469 468853032 /nfs/dbraw/zinc/85/30/32/468853032.db2.gz KMOPULHSVTVPOQ-AZUAARDMSA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)N[C@H]1CCCc2ccccc21 ZINC000584351469 468853034 /nfs/dbraw/zinc/85/30/34/468853034.db2.gz KMOPULHSVTVPOQ-AZUAARDMSA-N 2 2 327.472 2.256 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000625847945 469409738 /nfs/dbraw/zinc/40/97/38/469409738.db2.gz HHAHHKXBXBOIBY-PNBKFKSVSA-N 2 2 346.475 2.168 10 0 EEAELP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C(F)(F)F ZINC000617007180 469568066 /nfs/dbraw/zinc/56/80/66/469568066.db2.gz NITRUFWSKNJELK-NWDGAFQWSA-N 2 2 346.397 2.445 10 0 EEAELP Cn1cc[nH+]c1[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C(F)(F)F ZINC000617007180 469568071 /nfs/dbraw/zinc/56/80/71/469568071.db2.gz NITRUFWSKNJELK-NWDGAFQWSA-N 2 2 346.397 2.445 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(F)cc1 ZINC000629584846 469584766 /nfs/dbraw/zinc/58/47/66/469584766.db2.gz VOPPOCPURAWLSN-CFGMGRTJSA-N 2 2 333.451 2.323 10 0 EEAELP C[C@@H](NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(F)cc1 ZINC000629584846 469584768 /nfs/dbraw/zinc/58/47/68/469584768.db2.gz VOPPOCPURAWLSN-CFGMGRTJSA-N 2 2 333.451 2.323 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000626370882 469589324 /nfs/dbraw/zinc/58/93/24/469589324.db2.gz YIHFSRUDIKSDIT-YJBOKZPZSA-N 2 2 340.471 2.391 10 0 EEAELP COc1ccc(COC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629600709 469589914 /nfs/dbraw/zinc/58/99/14/469589914.db2.gz BPSHGCUUNKAUCA-MOPGFXCFSA-N 2 2 348.487 2.179 10 0 EEAELP COc1ccc(COC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629600709 469589918 /nfs/dbraw/zinc/58/99/18/469589918.db2.gz BPSHGCUUNKAUCA-MOPGFXCFSA-N 2 2 348.487 2.179 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[NH2+][C@H]2CC)CC1 ZINC000629652661 469599185 /nfs/dbraw/zinc/59/91/85/469599185.db2.gz BKVLNUJJHSYASE-RBUKOAKNSA-N 3 2 330.520 2.449 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c(C)c1 ZINC000627002210 469785432 /nfs/dbraw/zinc/78/54/32/469785432.db2.gz SNCKVMLACJXHPQ-JQHSSLGASA-N 2 2 341.459 2.291 10 0 EEAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCO1 ZINC000623881338 469787684 /nfs/dbraw/zinc/78/76/84/469787684.db2.gz KTRPTOFBWHLCSD-HKUYNNGSSA-N 3 2 332.492 2.141 10 0 EEAELP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000614098192 469851977 /nfs/dbraw/zinc/85/19/77/469851977.db2.gz QLKRHXIOUIWRBF-ROUUACIJSA-N 2 2 342.418 2.190 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[N@@H+]1C ZINC000630752028 469980284 /nfs/dbraw/zinc/98/02/84/469980284.db2.gz IUSMWKWHWHTWMD-DLBZAZTESA-N 2 2 330.476 2.418 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC[N@H+]1C ZINC000630752028 469980288 /nfs/dbraw/zinc/98/02/88/469980288.db2.gz IUSMWKWHWHTWMD-DLBZAZTESA-N 2 2 330.476 2.418 10 0 EEAELP c1c(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)nnn1C[C@H]1CCOC1 ZINC000631056559 470059102 /nfs/dbraw/zinc/05/91/02/470059102.db2.gz PXBYPHWTEPWBGY-QGZVFWFLSA-N 2 2 347.507 2.059 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631700714 470178759 /nfs/dbraw/zinc/17/87/59/470178759.db2.gz JSBRBUFPOSSMEW-FXAWDEMLSA-N 2 2 343.515 2.480 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1(O)CCN(c2ccccc2)CC1 ZINC000631700714 470178760 /nfs/dbraw/zinc/17/87/60/470178760.db2.gz JSBRBUFPOSSMEW-FXAWDEMLSA-N 2 2 343.515 2.480 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000631842453 470186927 /nfs/dbraw/zinc/18/69/27/470186927.db2.gz AOBDEBGYHNZRGE-ZJUUUORDSA-N 2 2 344.228 2.053 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1C[NH3+] ZINC000631842453 470186928 /nfs/dbraw/zinc/18/69/28/470186928.db2.gz AOBDEBGYHNZRGE-ZJUUUORDSA-N 2 2 344.228 2.053 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1C[NH3+] ZINC000631844517 470187384 /nfs/dbraw/zinc/18/73/84/470187384.db2.gz XOUWICBZHNZUMS-MWLCHTKSSA-N 2 2 327.222 2.204 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1C[NH3+] ZINC000631844517 470187385 /nfs/dbraw/zinc/18/73/85/470187385.db2.gz XOUWICBZHNZUMS-MWLCHTKSSA-N 2 2 327.222 2.204 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N[C@H](c1ccccc1)C1CC1 ZINC000631888344 470189630 /nfs/dbraw/zinc/18/96/30/470189630.db2.gz VIYDXPNZRYAPNS-QWFCFKBJSA-N 2 2 327.472 2.328 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N[C@H](c1ccccc1)C1CC1 ZINC000631888344 470189631 /nfs/dbraw/zinc/18/96/31/470189631.db2.gz VIYDXPNZRYAPNS-QWFCFKBJSA-N 2 2 327.472 2.328 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887998 470189664 /nfs/dbraw/zinc/18/96/64/470189664.db2.gz VRKXXFDTOKTSNJ-HKUYNNGSSA-N 2 2 345.487 2.118 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887998 470189665 /nfs/dbraw/zinc/18/96/65/470189665.db2.gz VRKXXFDTOKTSNJ-HKUYNNGSSA-N 2 2 345.487 2.118 10 0 EEAELP F[C@H](c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000634554978 470266308 /nfs/dbraw/zinc/26/63/08/470266308.db2.gz VHUPOESNWZGOGC-CVEARBPZSA-N 2 2 346.406 2.189 10 0 EEAELP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633367676 470441265 /nfs/dbraw/zinc/44/12/65/470441265.db2.gz CIMIGUVRDLGILX-SFHVURJKSA-N 2 2 326.444 2.356 10 0 EEAELP CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633367676 470441271 /nfs/dbraw/zinc/44/12/71/470441271.db2.gz CIMIGUVRDLGILX-SFHVURJKSA-N 2 2 326.444 2.356 10 0 EEAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC000635497147 470617770 /nfs/dbraw/zinc/61/77/70/470617770.db2.gz JDHYXTHHVVKCQW-IAGOWNOFSA-N 2 2 326.444 2.412 10 0 EEAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC000635497147 470617773 /nfs/dbraw/zinc/61/77/73/470617773.db2.gz JDHYXTHHVVKCQW-IAGOWNOFSA-N 2 2 326.444 2.412 10 0 EEAELP Cc1[nH+]ccn1CC[N@@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000649713888 470672916 /nfs/dbraw/zinc/67/29/16/470672916.db2.gz JLFVKAULBLJXSQ-UHFFFAOYSA-N 2 2 340.406 2.029 10 0 EEAELP Cc1[nH+]ccn1CC[N@H+]1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000649713888 470672920 /nfs/dbraw/zinc/67/29/20/470672920.db2.gz JLFVKAULBLJXSQ-UHFFFAOYSA-N 2 2 340.406 2.029 10 0 EEAELP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000647502816 470915728 /nfs/dbraw/zinc/91/57/28/470915728.db2.gz KJYYFHUYNVEFCB-LJQANCHMSA-N 3 2 329.488 2.488 10 0 EEAELP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000647502816 470915731 /nfs/dbraw/zinc/91/57/31/470915731.db2.gz KJYYFHUYNVEFCB-LJQANCHMSA-N 3 2 329.488 2.488 10 0 EEAELP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1OC(F)F ZINC000650715303 470949172 /nfs/dbraw/zinc/94/91/72/470949172.db2.gz XUGHJZPBXIBODH-UKRRQHHQSA-N 2 2 344.402 2.482 10 0 EEAELP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)c1OC(F)F ZINC000650715303 470949175 /nfs/dbraw/zinc/94/91/75/470949175.db2.gz XUGHJZPBXIBODH-UKRRQHHQSA-N 2 2 344.402 2.482 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000636288607 470950377 /nfs/dbraw/zinc/95/03/77/470950377.db2.gz ICCVKMIYGIRSSD-MRXNPFEDSA-N 2 2 340.471 2.154 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000636288607 470950380 /nfs/dbraw/zinc/95/03/80/470950380.db2.gz ICCVKMIYGIRSSD-MRXNPFEDSA-N 2 2 340.471 2.154 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901989 471012533 /nfs/dbraw/zinc/01/25/33/471012533.db2.gz YGADMMQVFKHALV-IEZWGBDMSA-N 2 2 345.487 2.164 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647901989 471012536 /nfs/dbraw/zinc/01/25/36/471012536.db2.gz YGADMMQVFKHALV-IEZWGBDMSA-N 2 2 345.487 2.164 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1c1ccccc1 ZINC000651593615 471048843 /nfs/dbraw/zinc/04/88/43/471048843.db2.gz QNKULUKOMRLFDU-YLJYHZDGSA-N 2 2 338.455 2.324 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@H]1c1ccccc1 ZINC000651593615 471048849 /nfs/dbraw/zinc/04/88/49/471048849.db2.gz QNKULUKOMRLFDU-YLJYHZDGSA-N 2 2 338.455 2.324 10 0 EEAELP COc1ncncc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648031545 471058899 /nfs/dbraw/zinc/05/88/99/471058899.db2.gz VRGZKMCZDPEHCP-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP COc1ncncc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000648031545 471058905 /nfs/dbraw/zinc/05/89/05/471058905.db2.gz VRGZKMCZDPEHCP-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657364267 471114237 /nfs/dbraw/zinc/11/42/37/471114237.db2.gz KEFDYPBTFGZMDO-GFCCVEGCSA-N 2 2 346.397 2.029 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000657523588 471161684 /nfs/dbraw/zinc/16/16/84/471161684.db2.gz GESGVESNSLTPKR-HNNXBMFYSA-N 2 2 325.478 2.021 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000657523588 471161692 /nfs/dbraw/zinc/16/16/92/471161692.db2.gz GESGVESNSLTPKR-HNNXBMFYSA-N 2 2 325.478 2.021 10 0 EEAELP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658114656 471267036 /nfs/dbraw/zinc/26/70/36/471267036.db2.gz KZXSAYCRNZVYEQ-DFQSSKMNSA-N 2 2 347.503 2.202 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C[C@H]1C[NH3+] ZINC000652357995 471278466 /nfs/dbraw/zinc/27/84/66/471278466.db2.gz WMIIXAKEFUGLLQ-HDMKZQKVSA-N 2 2 333.476 2.433 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C[C@H]1C[NH3+] ZINC000652357995 471278467 /nfs/dbraw/zinc/27/84/67/471278467.db2.gz WMIIXAKEFUGLLQ-HDMKZQKVSA-N 2 2 333.476 2.433 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CCOCC1 ZINC000658345068 471290959 /nfs/dbraw/zinc/29/09/59/471290959.db2.gz YLZSXFKYIFAEOH-YLJYHZDGSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CCOCC1 ZINC000658345068 471290961 /nfs/dbraw/zinc/29/09/61/471290961.db2.gz YLZSXFKYIFAEOH-YLJYHZDGSA-N 2 2 331.504 2.207 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)c3[nH]cc[nH+]3)cc2F)CC1 ZINC000655401804 471313791 /nfs/dbraw/zinc/31/37/91/471313791.db2.gz GXEDGUDUBPTUEX-CYBMUJFWSA-N 2 2 345.422 2.182 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N(C)CC3C[NH+](C)C3)c[nH+]2)CC1 ZINC000660399295 471324849 /nfs/dbraw/zinc/32/48/49/471324849.db2.gz JRHCDTHXRSSWIJ-UHFFFAOYSA-N 2 2 345.491 2.021 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000669024371 471354103 /nfs/dbraw/zinc/35/41/03/471354103.db2.gz BYGSYXQNHHIQTA-SGMGOOAPSA-N 2 2 347.850 2.175 10 0 EEAELP C[C@]1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CCC[NH2+]C1 ZINC000669028432 471354464 /nfs/dbraw/zinc/35/44/64/471354464.db2.gz OBZWUAGOVRUVRS-INIZCTEOSA-N 2 2 335.839 2.177 10 0 EEAELP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@H+](CC)C1 ZINC000663799076 471523844 /nfs/dbraw/zinc/52/38/44/471523844.db2.gz XHUBKTNUPYSNKH-KRWDZBQOSA-N 2 2 341.459 2.498 10 0 EEAELP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](CC)C1 ZINC000663799076 471523847 /nfs/dbraw/zinc/52/38/47/471523847.db2.gz XHUBKTNUPYSNKH-KRWDZBQOSA-N 2 2 341.459 2.498 10 0 EEAELP C[C@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000663810540 471529173 /nfs/dbraw/zinc/52/91/73/471529173.db2.gz VQAQUKAGMKPNKR-OAHLLOKOSA-N 2 2 338.471 2.112 10 0 EEAELP C[C@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000663810540 471529178 /nfs/dbraw/zinc/52/91/78/471529178.db2.gz VQAQUKAGMKPNKR-OAHLLOKOSA-N 2 2 338.471 2.112 10 0 EEAELP [NH3+]CC1(CCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000653221149 471541116 /nfs/dbraw/zinc/54/11/16/471541116.db2.gz KGZMQQJFLCSHRX-INIZCTEOSA-N 2 2 333.501 2.022 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCC[NH2+]C2CC2)c(C)c1 ZINC000669540607 471541922 /nfs/dbraw/zinc/54/19/22/471541922.db2.gz OUEDIAXGLSEPSN-SFHVURJKSA-N 2 2 341.459 2.292 10 0 EEAELP COc1c(C)[nH+]cnc1NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000656140188 471604248 /nfs/dbraw/zinc/60/42/48/471604248.db2.gz QLAXEBVUKVCWER-UHFFFAOYSA-N 2 2 328.420 2.281 10 0 EEAELP COc1c(C)[nH+]cnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000656177139 471619709 /nfs/dbraw/zinc/61/97/09/471619709.db2.gz FRJUGQVRDYPQLS-KRWDZBQOSA-N 2 2 342.443 2.497 10 0 EEAELP COc1c(C)[nH+]cnc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000656177139 471619711 /nfs/dbraw/zinc/61/97/11/471619711.db2.gz FRJUGQVRDYPQLS-KRWDZBQOSA-N 2 2 342.443 2.497 10 0 EEAELP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccsc1)c1[nH+]ccn1C ZINC000667248342 471708387 /nfs/dbraw/zinc/70/83/87/471708387.db2.gz WPALGMBYIYNNTA-ZDUSSCGKSA-N 2 2 335.477 2.316 10 0 EEAELP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)c1[nH+]ccn1C ZINC000667256760 471711829 /nfs/dbraw/zinc/71/18/29/471711829.db2.gz SWNGCDUSUCZPDI-AWEZNQCLSA-N 2 2 347.438 2.394 10 0 EEAELP Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)nc(-c2ccncc2)[nH+]1 ZINC000664653433 471824579 /nfs/dbraw/zinc/82/45/79/471824579.db2.gz OQLIUIFITBQHNK-QGZVFWFLSA-N 2 2 341.459 2.394 10 0 EEAELP C[C@]12COC[C@H]1C[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000661705661 471858316 /nfs/dbraw/zinc/85/83/16/471858316.db2.gz WPEAUUDYCGHGKR-QUCCMNQESA-N 2 2 329.488 2.167 10 0 EEAELP C[C@]12COC[C@H]1C[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000661705661 471858320 /nfs/dbraw/zinc/85/83/20/471858320.db2.gz WPEAUUDYCGHGKR-QUCCMNQESA-N 2 2 329.488 2.167 10 0 EEAELP O[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C12CCC2 ZINC000661828372 471896213 /nfs/dbraw/zinc/89/62/13/471896213.db2.gz SYLMYTYCRVIGPP-IPMKNSEASA-N 2 2 330.472 2.171 10 0 EEAELP O[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C12CCC2 ZINC000661828372 471896220 /nfs/dbraw/zinc/89/62/20/471896220.db2.gz SYLMYTYCRVIGPP-IPMKNSEASA-N 2 2 330.472 2.171 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660342819 471950662 /nfs/dbraw/zinc/95/06/62/471950662.db2.gz SAKPGNIPGVYUCL-INIZCTEOSA-N 2 2 345.491 2.069 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000660342819 471950666 /nfs/dbraw/zinc/95/06/66/471950666.db2.gz SAKPGNIPGVYUCL-INIZCTEOSA-N 2 2 345.491 2.069 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)c2ccnn2C)cc1F ZINC000665259809 471983304 /nfs/dbraw/zinc/98/33/04/471983304.db2.gz QURGBEOTMJPZIS-INWMFGNUSA-N 2 2 332.423 2.364 10 0 EEAELP COc1ccc(CC[C@@H]2CCCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000662258513 472045734 /nfs/dbraw/zinc/04/57/34/472045734.db2.gz VODCMVJDQKHQFT-ROUUACIJSA-N 2 2 348.487 2.479 10 0 EEAELP COc1ccc(CC[C@@H]2CCCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000662258513 472045738 /nfs/dbraw/zinc/04/57/38/472045738.db2.gz VODCMVJDQKHQFT-ROUUACIJSA-N 2 2 348.487 2.479 10 0 EEAELP c1ccc(-c2nnc([C@H]3CCC[N@H+]3C[C@@H]3CCC4(C[NH2+]C4)O3)[nH]2)cc1 ZINC000662279051 472054682 /nfs/dbraw/zinc/05/46/82/472054682.db2.gz FGGAKSIGHNQQBT-JKSUJKDBSA-N 2 2 339.443 2.130 10 0 EEAELP c1ccc(-c2nnc([C@H]3CCC[N@@H+]3C[C@@H]3CCC4(C[NH2+]C4)O3)[nH]2)cc1 ZINC000662279051 472054688 /nfs/dbraw/zinc/05/46/88/472054688.db2.gz FGGAKSIGHNQQBT-JKSUJKDBSA-N 2 2 339.443 2.130 10 0 EEAELP CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668294027 472073490 /nfs/dbraw/zinc/07/34/90/472073490.db2.gz OMQCGZAGWHFCKS-KRWDZBQOSA-N 2 2 339.443 2.004 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000668299050 472075065 /nfs/dbraw/zinc/07/50/65/472075065.db2.gz SBCUQGZUUKFCKU-KRWDZBQOSA-N 2 2 332.492 2.374 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000668299050 472075070 /nfs/dbraw/zinc/07/50/70/472075070.db2.gz SBCUQGZUUKFCKU-KRWDZBQOSA-N 2 2 332.492 2.374 10 0 EEAELP Cc1cccn2cc(CCNC(=O)NCC[N@H+]3CCCC[C@H]3C)[nH+]c12 ZINC000673770104 485525711 /nfs/dbraw/zinc/52/57/11/485525711.db2.gz YBSPDAXZIIDZBJ-MRXNPFEDSA-N 2 2 343.475 2.359 10 0 EEAELP Cc1cccn2cc(CCNC(=O)NCC[N@@H+]3CCCC[C@H]3C)[nH+]c12 ZINC000673770104 485525718 /nfs/dbraw/zinc/52/57/18/485525718.db2.gz YBSPDAXZIIDZBJ-MRXNPFEDSA-N 2 2 343.475 2.359 10 0 EEAELP C[N@H+](Cc1cccc(I)c1)CC1C[NH+](C)C1 ZINC000597206672 485616165 /nfs/dbraw/zinc/61/61/65/485616165.db2.gz QLPYNEIVQHYNSF-UHFFFAOYSA-N 2 2 330.213 2.285 10 0 EEAELP C[N@@H+](Cc1cccc(I)c1)CC1C[NH+](C)C1 ZINC000597206672 485616159 /nfs/dbraw/zinc/61/61/59/485616159.db2.gz QLPYNEIVQHYNSF-UHFFFAOYSA-N 2 2 330.213 2.285 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](C)[C@@H](F)C3)CC2)c1 ZINC000679218429 485620288 /nfs/dbraw/zinc/62/02/88/485620288.db2.gz LZAKHBGWLWIHMT-HKUYNNGSSA-N 2 2 347.478 2.319 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](C)[C@@H](F)C3)CC2)c1 ZINC000679218429 485620295 /nfs/dbraw/zinc/62/02/95/485620295.db2.gz LZAKHBGWLWIHMT-HKUYNNGSSA-N 2 2 347.478 2.319 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000679299438 485651385 /nfs/dbraw/zinc/65/13/85/485651385.db2.gz TXKRXANAPBYNAZ-UHFFFAOYSA-N 2 2 331.339 2.100 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc2c(s1)CCC2 ZINC000675886430 486089657 /nfs/dbraw/zinc/08/96/57/486089657.db2.gz RQVPPBUOGXHBOV-DOTOQJQBSA-N 2 2 349.544 2.294 10 0 EEAELP C[NH+](C)C1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000678153048 486583972 /nfs/dbraw/zinc/58/39/72/486583972.db2.gz WGTNJCNRHHUDFF-UHFFFAOYSA-N 2 2 328.416 2.331 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCn3cc[nH+]c3C2)cc[nH+]1 ZINC000330157869 500626096 /nfs/dbraw/zinc/62/60/96/500626096.db2.gz ZMMGAONWTXPFHI-PBHICJAKSA-N 2 2 342.447 2.309 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(C)C)[C@H](C)C1 ZINC000129604835 527748449 /nfs/dbraw/zinc/74/84/49/527748449.db2.gz WGQFUIJJBRSKAH-HZPDHXFCSA-N 2 2 335.496 2.411 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(C)C)[C@H](C)C1 ZINC000129604835 527748454 /nfs/dbraw/zinc/74/84/54/527748454.db2.gz WGQFUIJJBRSKAH-HZPDHXFCSA-N 2 2 335.496 2.411 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCOCC(C)C)CC2)CC1 ZINC000422002832 535462700 /nfs/dbraw/zinc/46/27/00/535462700.db2.gz BXEHOLVHUDZFDM-UHFFFAOYSA-N 2 2 339.524 2.068 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCOCC(C)C)CC2)CC1 ZINC000422002832 535462702 /nfs/dbraw/zinc/46/27/02/535462702.db2.gz BXEHOLVHUDZFDM-UHFFFAOYSA-N 2 2 339.524 2.068 10 0 EEAELP CCC[N@H+](C)C[C@@H]1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743393024 577884547 /nfs/dbraw/zinc/88/45/47/577884547.db2.gz HCIJYRWQOGCENJ-HNNXBMFYSA-N 2 2 344.459 2.444 10 0 EEAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743393024 577884548 /nfs/dbraw/zinc/88/45/48/577884548.db2.gz HCIJYRWQOGCENJ-HNNXBMFYSA-N 2 2 344.459 2.444 10 0 EEAELP CCC[NH+](C)C[C@@H]1CC[N@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743393024 577884549 /nfs/dbraw/zinc/88/45/49/577884549.db2.gz HCIJYRWQOGCENJ-HNNXBMFYSA-N 2 2 344.459 2.444 10 0 EEAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cn2ncc3cc(C(=O)OC)ccc32)C1 ZINC000743393024 577884550 /nfs/dbraw/zinc/88/45/50/577884550.db2.gz HCIJYRWQOGCENJ-HNNXBMFYSA-N 2 2 344.459 2.444 10 0 EEAELP CC[NH+](CC)CC1CC[NH+](CN2C(=O)c3ccc(F)cc3C2=O)CC1 ZINC000749019706 577970142 /nfs/dbraw/zinc/97/01/42/577970142.db2.gz XSFNJUZIDSMYHI-UHFFFAOYSA-N 2 2 347.434 2.433 10 0 EEAELP COC(=O)[C@@H]1[C@@H](CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1(F)F ZINC000895114203 683951799 /nfs/dbraw/zinc/95/17/99/683951799.db2.gz ZHLZSDWLAUOUMI-BHPKHCPMSA-N 2 2 339.386 2.212 10 0 EEAELP OC[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895838457 684739106 /nfs/dbraw/zinc/73/91/06/684739106.db2.gz ZXBMNUOGADNQEY-CQSZACIVSA-N 2 2 326.322 2.014 10 0 EEAELP OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000895838457 684739108 /nfs/dbraw/zinc/73/91/08/684739108.db2.gz ZXBMNUOGADNQEY-CQSZACIVSA-N 2 2 326.322 2.014 10 0 EEAELP C[C@@H](c1ccccc1F)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001485617615 1191859119 /nfs/dbraw/zinc/85/91/19/1191859119.db2.gz GFQNKZRTRHZKAO-QCEMKRCNSA-N 2 2 342.418 2.147 10 0 EEAELP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001485617615 1191859122 /nfs/dbraw/zinc/85/91/22/1191859122.db2.gz GFQNKZRTRHZKAO-QCEMKRCNSA-N 2 2 342.418 2.147 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001266492038 1176630345 /nfs/dbraw/zinc/63/03/45/1176630345.db2.gz GLQKDJPRYFBKJO-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001266492038 1176630353 /nfs/dbraw/zinc/63/03/53/1176630353.db2.gz GLQKDJPRYFBKJO-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001266492038 1176630362 /nfs/dbraw/zinc/63/03/62/1176630362.db2.gz GLQKDJPRYFBKJO-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001266492038 1176630368 /nfs/dbraw/zinc/63/03/68/1176630368.db2.gz GLQKDJPRYFBKJO-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001670575629 1176920772 /nfs/dbraw/zinc/92/07/72/1176920772.db2.gz NEERESACSSEQFO-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001670575629 1176920776 /nfs/dbraw/zinc/92/07/76/1176920776.db2.gz NEERESACSSEQFO-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC001266616010 1176998187 /nfs/dbraw/zinc/99/81/87/1176998187.db2.gz YOEUTMRZUMWESU-LLVKDONJSA-N 2 2 345.274 2.117 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC001266616010 1176998196 /nfs/dbraw/zinc/99/81/96/1176998196.db2.gz YOEUTMRZUMWESU-LLVKDONJSA-N 2 2 345.274 2.117 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266740980 1177332517 /nfs/dbraw/zinc/33/25/17/1177332517.db2.gz GMHHMUFBMNTFRR-HZPDHXFCSA-N 2 2 346.475 2.117 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266740980 1177332527 /nfs/dbraw/zinc/33/25/27/1177332527.db2.gz GMHHMUFBMNTFRR-HZPDHXFCSA-N 2 2 346.475 2.117 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)Cc1ccnc(Cl)c1 ZINC001691049817 1177438876 /nfs/dbraw/zinc/43/88/76/1177438876.db2.gz FTHWUSCGHCGIPN-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)Cc1ccnc(Cl)c1 ZINC001691049817 1177438879 /nfs/dbraw/zinc/43/88/79/1177438879.db2.gz FTHWUSCGHCGIPN-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP CCc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)cc1 ZINC001266838827 1177515141 /nfs/dbraw/zinc/51/51/41/1177515141.db2.gz AQSNAPOEWUQVJV-QZTJIDSGSA-N 2 2 340.471 2.334 10 0 EEAELP CN(CC[NH2+]Cc1c(Cl)cccc1Cl)C(=O)Cn1cc[nH+]c1 ZINC001267144073 1178320221 /nfs/dbraw/zinc/32/02/21/1178320221.db2.gz YTKKABWSUUDHPZ-UHFFFAOYSA-N 2 2 341.242 2.438 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296520 1178702760 /nfs/dbraw/zinc/70/27/60/1178702760.db2.gz PGKHYPUISJQINQ-DSLCMKTCSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296520 1178702764 /nfs/dbraw/zinc/70/27/64/1178702764.db2.gz PGKHYPUISJQINQ-DSLCMKTCSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC001267340031 1178786998 /nfs/dbraw/zinc/78/69/98/1178786998.db2.gz AGCHMAICTVHHHN-UHFFFAOYSA-N 2 2 332.423 2.439 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC001267340031 1178787006 /nfs/dbraw/zinc/78/70/06/1178787006.db2.gz AGCHMAICTVHHHN-UHFFFAOYSA-N 2 2 332.423 2.439 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)c(C)o1 ZINC001481063717 1179665052 /nfs/dbraw/zinc/66/50/52/1179665052.db2.gz FNHLZEXFFGCIFS-MRXNPFEDSA-N 2 2 336.480 2.104 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)c(C)o1 ZINC001481063717 1179665057 /nfs/dbraw/zinc/66/50/57/1179665057.db2.gz FNHLZEXFFGCIFS-MRXNPFEDSA-N 2 2 336.480 2.104 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC001481114113 1179768679 /nfs/dbraw/zinc/76/86/79/1179768679.db2.gz GRECLHZFTMTCHX-HUUCEWRRSA-N 2 2 344.434 2.366 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC001481114113 1179768684 /nfs/dbraw/zinc/76/86/84/1179768684.db2.gz GRECLHZFTMTCHX-HUUCEWRRSA-N 2 2 344.434 2.366 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC001481126243 1179833477 /nfs/dbraw/zinc/83/34/77/1179833477.db2.gz NJUPZVQGUUGUCA-APWZRJJASA-N 2 2 338.455 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC001481126243 1179833485 /nfs/dbraw/zinc/83/34/85/1179833485.db2.gz NJUPZVQGUUGUCA-APWZRJJASA-N 2 2 338.455 2.399 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001267776131 1180502330 /nfs/dbraw/zinc/50/23/30/1180502330.db2.gz FMLICIREHYCMCZ-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001267776131 1180502335 /nfs/dbraw/zinc/50/23/35/1180502335.db2.gz FMLICIREHYCMCZ-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001267776131 1180502342 /nfs/dbraw/zinc/50/23/42/1180502342.db2.gz FMLICIREHYCMCZ-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001267776131 1180502350 /nfs/dbraw/zinc/50/23/50/1180502350.db2.gz FMLICIREHYCMCZ-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H]1C[NH2+]CCc1ccc(F)c(F)c1 ZINC001267965144 1180858926 /nfs/dbraw/zinc/85/89/26/1180858926.db2.gz UWEFNVRLNDJMSQ-OAHLLOKOSA-N 2 2 348.397 2.054 10 0 EEAELP CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001481350687 1181094261 /nfs/dbraw/zinc/09/42/61/1181094261.db2.gz OUKDYXBBNZZBND-VFQAQYNWSA-N 2 2 338.883 2.415 10 0 EEAELP CC(C)[N@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001481350687 1181094266 /nfs/dbraw/zinc/09/42/66/1181094266.db2.gz OUKDYXBBNZZBND-VFQAQYNWSA-N 2 2 338.883 2.415 10 0 EEAELP CCCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001481437673 1181340123 /nfs/dbraw/zinc/34/01/23/1181340123.db2.gz XERMXCGQWAXMGE-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP CCCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001481437673 1181340127 /nfs/dbraw/zinc/34/01/27/1181340127.db2.gz XERMXCGQWAXMGE-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001268154314 1181849123 /nfs/dbraw/zinc/84/91/23/1181849123.db2.gz LQAUQEKTROLPQE-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]CC[C@H]1CCCO1 ZINC001268154314 1181849127 /nfs/dbraw/zinc/84/91/27/1181849127.db2.gz LQAUQEKTROLPQE-QZTJIDSGSA-N 2 2 348.491 2.272 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCF)C1 ZINC001268169859 1181934777 /nfs/dbraw/zinc/93/47/77/1181934777.db2.gz DOEPXANARJOYSS-GJZGRUSLSA-N 2 2 337.439 2.209 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)oc1C ZINC001691500223 1182059356 /nfs/dbraw/zinc/05/93/56/1182059356.db2.gz KJUQMLXIKYMBOI-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)oc1C ZINC001691500223 1182059362 /nfs/dbraw/zinc/05/93/62/1182059362.db2.gz KJUQMLXIKYMBOI-INIZCTEOSA-N 2 2 336.480 2.102 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001268404745 1182514752 /nfs/dbraw/zinc/51/47/52/1182514752.db2.gz KHRJYPKHVQZKTJ-ZIAGYGMSSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001268404745 1182514757 /nfs/dbraw/zinc/51/47/57/1182514757.db2.gz KHRJYPKHVQZKTJ-ZIAGYGMSSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@@H](CC[NH2+]Cc1nsc2ccccc12)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268412003 1182553227 /nfs/dbraw/zinc/55/32/27/1182553227.db2.gz SSPGZYRIRVGGIO-LBPRGKRZSA-N 2 2 343.456 2.247 10 0 EEAELP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268459809 1182750084 /nfs/dbraw/zinc/75/00/84/1182750084.db2.gz IQJUSPOTSRDHBC-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@@H](F)CC[NH+]1CCC(CCNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001482049686 1183239711 /nfs/dbraw/zinc/23/97/11/1183239711.db2.gz FUBSTLMJGFOWLI-OAHLLOKOSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC001268577660 1183330174 /nfs/dbraw/zinc/33/01/74/1183330174.db2.gz SXGBPVYDHVBKSO-GWQWAINWSA-N 2 2 330.407 2.436 10 0 EEAELP CC(C)CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001482103507 1183336793 /nfs/dbraw/zinc/33/67/93/1183336793.db2.gz VKWNHRZYSWAVFM-YOEHRIQHSA-N 2 2 335.496 2.178 10 0 EEAELP CC(C)CC[NH2+]C[C@H](C)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001482103507 1183336798 /nfs/dbraw/zinc/33/67/98/1183336798.db2.gz VKWNHRZYSWAVFM-YOEHRIQHSA-N 2 2 335.496 2.178 10 0 EEAELP C[C@@H](O)CCC[NH2+]C[C@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001269622212 1184447537 /nfs/dbraw/zinc/44/75/37/1184447537.db2.gz DIABYKJMYPEFKQ-YJYMSZOUSA-N 2 2 344.459 2.212 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)sn1 ZINC001269783555 1184618818 /nfs/dbraw/zinc/61/88/18/1184618818.db2.gz DAHDDZHZKPCRNL-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001270665792 1185285460 /nfs/dbraw/zinc/28/54/60/1185285460.db2.gz RSMZILRAQXNIIP-KRWDZBQOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2cccc(Cl)n2)C1 ZINC001270665792 1185285464 /nfs/dbraw/zinc/28/54/64/1185285464.db2.gz RSMZILRAQXNIIP-KRWDZBQOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001270665792 1185285469 /nfs/dbraw/zinc/28/54/69/1185285469.db2.gz RSMZILRAQXNIIP-KRWDZBQOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001270665792 1185285473 /nfs/dbraw/zinc/28/54/73/1185285473.db2.gz RSMZILRAQXNIIP-KRWDZBQOSA-N 2 2 338.883 2.156 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@H](CC[NH2+]C/C(Cl)=C/Cl)C1 ZINC001280308198 1185519877 /nfs/dbraw/zinc/51/98/77/1185519877.db2.gz QSTWFMGRSTURJW-BPLGCGBFSA-N 2 2 331.247 2.030 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CCCCC1 ZINC001482411425 1185642092 /nfs/dbraw/zinc/64/20/92/1185642092.db2.gz BQGZOGISADRJPW-INIZCTEOSA-N 2 2 345.447 2.034 10 0 EEAELP CC(C)OCC[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001482537557 1186589379 /nfs/dbraw/zinc/58/93/79/1186589379.db2.gz DLZOEPKCFMMQHP-QGZVFWFLSA-N 2 2 332.448 2.332 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001482936061 1187856363 /nfs/dbraw/zinc/85/63/63/1187856363.db2.gz REGUXDQUZGNQMG-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001483009601 1187991817 /nfs/dbraw/zinc/99/18/17/1187991817.db2.gz CJGBSDCOKCTVOB-LAQIPUCWSA-N 2 2 331.464 2.018 10 0 EEAELP CC(C)=CC[NH2+]CC=CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483009601 1187991822 /nfs/dbraw/zinc/99/18/22/1187991822.db2.gz CJGBSDCOKCTVOB-LAQIPUCWSA-N 2 2 331.464 2.018 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+][C@H]1CCc2c1cccc2F ZINC001483079812 1188441072 /nfs/dbraw/zinc/44/10/72/1188441072.db2.gz ZEVMPJKWLGVQQX-PYKQWIPUSA-N 2 2 328.391 2.041 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)C[NH+]2CCC(C)CC2)o1 ZINC001483079989 1188441192 /nfs/dbraw/zinc/44/11/92/1188441192.db2.gz ZZOBWQQZUQWPOB-AWFCHZOYSA-N 2 2 334.464 2.038 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CCc1ccccc1 ZINC001409390693 1189611590 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HYOHGACHGBFWIJ-PBHICJAKSA-N 2 2 344.459 2.200 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCCC1CCOCC1 ZINC001272320710 1190759858 /nfs/dbraw/zinc/75/98/58/1190759858.db2.gz CMBWRATUNISVCL-IAGOWNOFSA-N 2 2 348.491 2.034 10 0 EEAELP CC[C@@H](F)C[N@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001483817020 1191061711 /nfs/dbraw/zinc/06/17/11/1191061711.db2.gz AOKZBAZKSDESBP-OAHLLOKOSA-N 2 2 336.455 2.403 10 0 EEAELP CC[C@@H](F)C[N@@H+](CC1CC1)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001483817020 1191061714 /nfs/dbraw/zinc/06/17/14/1191061714.db2.gz AOKZBAZKSDESBP-OAHLLOKOSA-N 2 2 336.455 2.403 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001483849281 1191085165 /nfs/dbraw/zinc/08/51/65/1191085165.db2.gz SMSMKUCTNDNLFF-BMQCOBNYSA-N 2 2 334.291 2.182 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001483849281 1191085169 /nfs/dbraw/zinc/08/51/69/1191085169.db2.gz SMSMKUCTNDNLFF-BMQCOBNYSA-N 2 2 334.291 2.182 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001483889932 1191110591 /nfs/dbraw/zinc/11/05/91/1191110591.db2.gz ABGNGPPZMAZUGI-UHFFFAOYSA-N 2 2 344.503 2.466 10 0 EEAELP CC(C)(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)CCn1cc[nH+]c1)O2 ZINC001484783284 1191518931 /nfs/dbraw/zinc/51/89/31/1191518931.db2.gz GQUWBBTVTXKAHT-INIZCTEOSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001485176726 1191677527 /nfs/dbraw/zinc/67/75/27/1191677527.db2.gz LJPIEHZAGCGFJS-NEPJUHHUSA-N 2 2 335.477 2.030 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001485235432 1191701312 /nfs/dbraw/zinc/70/13/12/1191701312.db2.gz WYOGEZILIXUMPY-YIGKEOEDSA-N 2 2 326.444 2.469 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)C1CCC([NH2+]CCOC2CCC2)CC1 ZINC001485240068 1191705927 /nfs/dbraw/zinc/70/59/27/1191705927.db2.gz NTSDBQIKWBTAAB-UHFFFAOYSA-N 2 2 348.491 2.202 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001485336206 1191740741 /nfs/dbraw/zinc/74/07/41/1191740741.db2.gz KREXITZUCREMQF-KGLIPLIRSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)C[C@H]1CCC(F)(F)C1 ZINC001485336206 1191740743 /nfs/dbraw/zinc/74/07/43/1191740743.db2.gz KREXITZUCREMQF-KGLIPLIRSA-N 2 2 328.407 2.145 10 0 EEAELP CCCC[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485464976 1191794852 /nfs/dbraw/zinc/79/48/52/1191794852.db2.gz DECMEICHRURKJS-GMLRFVCHSA-N 2 2 338.883 2.463 10 0 EEAELP CCCC[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001485466012 1191795365 /nfs/dbraw/zinc/79/53/65/1191795365.db2.gz LQCXOLSCAXKNHZ-HOTGVXAUSA-N 2 2 344.459 2.249 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C(F)(F)F ZINC001486254814 1193782782 /nfs/dbraw/zinc/78/27/82/1193782782.db2.gz YDHLUPRZPJPITL-OCCSQVGLSA-N 2 2 346.397 2.369 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C(F)(F)F ZINC001486254814 1193782786 /nfs/dbraw/zinc/78/27/86/1193782786.db2.gz YDHLUPRZPJPITL-OCCSQVGLSA-N 2 2 346.397 2.369 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)co1 ZINC001410523757 1198084916 /nfs/dbraw/zinc/08/49/16/1198084916.db2.gz WNLIGJMQBGVJRW-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291915 1198131871 /nfs/dbraw/zinc/13/18/71/1198131871.db2.gz VTESYLKBWVZXRJ-HNNXBMFYSA-N 2 2 343.512 2.020 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291915 1198131872 /nfs/dbraw/zinc/13/18/72/1198131872.db2.gz VTESYLKBWVZXRJ-HNNXBMFYSA-N 2 2 343.512 2.020 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291915 1198131876 /nfs/dbraw/zinc/13/18/76/1198131876.db2.gz VTESYLKBWVZXRJ-HNNXBMFYSA-N 2 2 343.512 2.020 10 0 EEAELP CC[NH+](C)C[C@H](O)C[N@H+]1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC000872291915 1198131879 /nfs/dbraw/zinc/13/18/79/1198131879.db2.gz VTESYLKBWVZXRJ-HNNXBMFYSA-N 2 2 343.512 2.020 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)cn1 ZINC000865412669 1198203988 /nfs/dbraw/zinc/20/39/88/1198203988.db2.gz SDXBGDTURNKGAY-GFCCVEGCSA-N 2 2 332.408 2.198 10 0 EEAELP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC000865455499 1198227052 /nfs/dbraw/zinc/22/70/52/1198227052.db2.gz ASGRPDNCIWJOBU-ZDUSSCGKSA-N 2 2 335.452 2.255 10 0 EEAELP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)cn2)C1 ZINC000865455499 1198227057 /nfs/dbraw/zinc/22/70/57/1198227057.db2.gz ASGRPDNCIWJOBU-ZDUSSCGKSA-N 2 2 335.452 2.255 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001273350976 1198272120 /nfs/dbraw/zinc/27/21/20/1198272120.db2.gz ILWWHKQXSVEJOS-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@H]2C1 ZINC001410934424 1198603656 /nfs/dbraw/zinc/60/36/56/1198603656.db2.gz ZOIGFYARZNMNQN-OKZBNKHCSA-N 2 2 330.476 2.290 10 0 EEAELP CC(C)CN(CC1CC[NH+](C)CC1)c1nc(N2CCOCC2)cc[nH+]1 ZINC000866260416 1201478414 /nfs/dbraw/zinc/47/84/14/1201478414.db2.gz GPYGPYZBXHHLAC-UHFFFAOYSA-N 2 2 347.507 2.117 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCCC1CCC1 ZINC001279182839 1204334000 /nfs/dbraw/zinc/33/40/00/1204334000.db2.gz MHLUWANXFLSZBD-DOTOQJQBSA-N 2 2 332.492 2.227 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCn2cc[nH+]c2)cc1F ZINC001274244857 1204973326 /nfs/dbraw/zinc/97/33/26/1204973326.db2.gz XRBDEFYNURCGDY-IHWYPQMZSA-N 2 2 330.407 2.183 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCCC(F)(F)F ZINC001274261055 1204978094 /nfs/dbraw/zinc/97/80/94/1204978094.db2.gz ORLXRJNCSCOXAT-YPMHNXCESA-N 2 2 332.370 2.121 10 0 EEAELP C[C@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001275045527 1205242984 /nfs/dbraw/zinc/24/29/84/1205242984.db2.gz JSSQKEVEDKHZKO-GFCCVEGCSA-N 2 2 338.814 2.013 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275449929 1205366253 /nfs/dbraw/zinc/36/62/53/1205366253.db2.gz BXCUCIIZRDRMGM-RYUDHWBXSA-N 2 2 341.415 2.236 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)co1 ZINC001276075849 1205762683 /nfs/dbraw/zinc/76/26/83/1205762683.db2.gz GJNYQQKQKDRPJT-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP C[NH+](C)CCc1ccc(C(=O)NCc2[nH]c3c([nH+]2)CCCC3)cc1 ZINC001412674104 1205823093 /nfs/dbraw/zinc/82/30/93/1205823093.db2.gz CVOJGOABKKQPOE-UHFFFAOYSA-N 2 2 326.444 2.323 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CCC[C@H]2CCOC2)CCCCC1 ZINC001276231378 1205845779 /nfs/dbraw/zinc/84/57/79/1205845779.db2.gz NGRHFNJIJQVREU-INIZCTEOSA-N 2 2 348.491 2.178 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001276253415 1205856119 /nfs/dbraw/zinc/85/61/19/1205856119.db2.gz URFIXGJPRBHBSY-ZDUSSCGKSA-N 2 2 333.436 2.077 10 0 EEAELP CN(C)c1cc[nH+]c(CNC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000927694373 1206291765 /nfs/dbraw/zinc/29/17/65/1206291765.db2.gz DWCRREBJZUAAQW-CYBMUJFWSA-N 2 2 341.337 2.154 10 0 EEAELP COc1ccc2c(c1)C[C@H](C[NH+]1CCC([N@@H+]3CCCOCC3)CC1)O2 ZINC000931284284 1206621750 /nfs/dbraw/zinc/62/17/50/1206621750.db2.gz QWFWLUXFDLYYDP-LJQANCHMSA-N 2 2 346.471 2.185 10 0 EEAELP COc1ccc2c(c1)C[C@H](C[NH+]1CCC([N@H+]3CCCOCC3)CC1)O2 ZINC000931284284 1206621751 /nfs/dbraw/zinc/62/17/51/1206621751.db2.gz QWFWLUXFDLYYDP-LJQANCHMSA-N 2 2 346.471 2.185 10 0 EEAELP Cc1nc(N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000719958478 1213637011 /nfs/dbraw/zinc/63/70/11/1213637011.db2.gz LCRLPRURWJXHRU-MRXNPFEDSA-N 2 2 326.448 2.253 10 0 EEAELP Cc1nc(N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)nc(N)[nH+]1 ZINC000719958478 1213637016 /nfs/dbraw/zinc/63/70/16/1213637016.db2.gz LCRLPRURWJXHRU-MRXNPFEDSA-N 2 2 326.448 2.253 10 0 EEAELP [NH2+]=C(NOCCc1ccns1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000902326138 1237407180 /nfs/dbraw/zinc/40/71/80/1237407180.db2.gz UXOZIVDAZIZXND-MRXNPFEDSA-N 2 2 346.456 2.085 10 0 EEAELP [NH2+]=C(NOCCc1ccns1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000902326138 1237407184 /nfs/dbraw/zinc/40/71/84/1237407184.db2.gz UXOZIVDAZIZXND-MRXNPFEDSA-N 2 2 346.456 2.085 10 0 EEAELP CCCn1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)nn1 ZINC000902948697 1239165738 /nfs/dbraw/zinc/16/57/38/1239165738.db2.gz VFVQNYRBEOUCQD-MAUKXSAKSA-N 2 2 343.475 2.106 10 0 EEAELP CCCn1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)nn1 ZINC000902948697 1239165741 /nfs/dbraw/zinc/16/57/41/1239165741.db2.gz VFVQNYRBEOUCQD-MAUKXSAKSA-N 2 2 343.475 2.106 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903799072 1242008029 /nfs/dbraw/zinc/00/80/29/1242008029.db2.gz QARWQMQWCQOUGP-VQIMIIECSA-N 2 2 329.444 2.421 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903799072 1242008033 /nfs/dbraw/zinc/00/80/33/1242008033.db2.gz QARWQMQWCQOUGP-VQIMIIECSA-N 2 2 329.444 2.421 10 0 EEAELP Cc1nc(C(C)(C)[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)sc1C ZINC000903899524 1242397287 /nfs/dbraw/zinc/39/72/87/1242397287.db2.gz SXJAUXYEABLIRS-CYBMUJFWSA-N 2 2 334.493 2.301 10 0 EEAELP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903964406 1242757308 /nfs/dbraw/zinc/75/73/08/1242757308.db2.gz PNPXPXQVEUWYFR-JTNHKYCSSA-N 2 2 325.840 2.263 10 0 EEAELP CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)CC1 ZINC001491038826 1258594923 /nfs/dbraw/zinc/59/49/23/1258594923.db2.gz DGHVYSSJDXJPPG-UCUFBTAOSA-N 2 2 332.492 2.416 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001491210448 1258784513 /nfs/dbraw/zinc/78/45/13/1258784513.db2.gz QEDXQGSIKYOVSN-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC001491210448 1258784517 /nfs/dbraw/zinc/78/45/17/1258784517.db2.gz QEDXQGSIKYOVSN-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC001491210448 1258784523 /nfs/dbraw/zinc/78/45/23/1258784523.db2.gz QEDXQGSIKYOVSN-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CCCC[N@H+]1CCC[C@@H]1CCOC1 ZINC001491210448 1258784530 /nfs/dbraw/zinc/78/45/30/1258784530.db2.gz QEDXQGSIKYOVSN-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCC1CCCC1 ZINC001491464086 1259105722 /nfs/dbraw/zinc/10/57/22/1259105722.db2.gz VFPCCSJRCAUTBS-HNNXBMFYSA-N 2 2 332.492 2.437 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)CCn1cc[nH+]c1 ZINC001273533626 1279368585 /nfs/dbraw/zinc/36/85/85/1279368585.db2.gz BLSNLACEZXTGHP-AWEZNQCLSA-N 2 2 328.407 2.147 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000855417362 1293210511 /nfs/dbraw/zinc/21/05/11/1293210511.db2.gz ZGDXLSCASZGOEA-UHFFFAOYSA-N 2 2 347.837 2.432 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)c1cccc(Cl)c1 ZINC000855417362 1293210512 /nfs/dbraw/zinc/21/05/12/1293210512.db2.gz ZGDXLSCASZGOEA-UHFFFAOYSA-N 2 2 347.837 2.432 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000858223731 1294051448 /nfs/dbraw/zinc/05/14/48/1294051448.db2.gz YQAJKRPKXWOKGU-UHFFFAOYSA-N 2 2 333.476 2.083 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001490911585 1296711081 /nfs/dbraw/zinc/71/10/81/1296711081.db2.gz JOUFIFOSTJNECB-WKILWMFISA-N 2 2 346.500 2.284 10 0 EEAELP Cc1conc1C[N@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001276887092 1300113797 /nfs/dbraw/zinc/11/37/97/1300113797.db2.gz UEELWXXRHOJKHZ-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1conc1C[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001276887092 1300113801 /nfs/dbraw/zinc/11/38/01/1300113801.db2.gz UEELWXXRHOJKHZ-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001277957904 1305306826 /nfs/dbraw/zinc/30/68/26/1305306826.db2.gz XMGQEIQIFITNBI-HOCLYGCPSA-N 2 2 346.500 2.473 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001277957904 1305306830 /nfs/dbraw/zinc/30/68/30/1305306830.db2.gz XMGQEIQIFITNBI-HOCLYGCPSA-N 2 2 346.500 2.473 10 0 EEAELP CCC/C=C/CC[NH+]1CC(N(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001671145370 1320761072 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2.436 10 0 EEAELP CCC/C=C\CC[NH+]1CC(N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001671144419 1320713711 /nfs/dbraw/zinc/71/37/11/1320713711.db2.gz HQXOSONKWVBBQA-KJPDOMRESA-N 2 2 330.476 2.335 10 0 EEAELP Cc1ncccc1C[N@@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265042322 1322884997 /nfs/dbraw/zinc/88/49/97/1322884997.db2.gz VRQHMTHCIDDHQY-OAHLLOKOSA-N 2 2 329.448 2.176 10 0 EEAELP Cc1ncccc1C[N@H+](C)CCCNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001265042322 1322885006 /nfs/dbraw/zinc/88/50/06/1322885006.db2.gz VRQHMTHCIDDHQY-OAHLLOKOSA-N 2 2 329.448 2.176 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1)CC1CC1 ZINC001265138542 1322941891 /nfs/dbraw/zinc/94/18/91/1322941891.db2.gz YOWWNGLZHJVSOZ-UHFFFAOYSA-N 2 2 328.460 2.423 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1cn2cccc(C)c2[nH+]1)CC1CC1 ZINC001265138542 1322941893 /nfs/dbraw/zinc/94/18/93/1322941893.db2.gz YOWWNGLZHJVSOZ-UHFFFAOYSA-N 2 2 328.460 2.423 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001265595201 1323252695 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WVYLOPZRYYAODP-VXGBXAGGSA-N 2 2 331.247 2.077 10 0 EEAELP CCn1ccc(C[NH2+]CC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)n1 ZINC001320464685 1332890493 /nfs/dbraw/zinc/89/04/93/1332890493.db2.gz RMFVMTQWFFSZDM-CYBMUJFWSA-N 2 2 340.431 2.078 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc(F)ccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001320651588 1332929555 /nfs/dbraw/zinc/92/95/55/1332929555.db2.gz CGVOWUHSRLHZCA-LBPRGKRZSA-N 2 2 338.814 2.360 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001321417125 1333099045 /nfs/dbraw/zinc/09/90/45/1333099045.db2.gz NUZRKUJXYIEATL-PLNGDYQASA-N 2 2 342.443 2.120 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]Cc2cccc(F)c2)C1 ZINC001326418570 1334089701 /nfs/dbraw/zinc/08/97/01/1334089701.db2.gz LGPIWGDFPIDVRS-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP C[C@H]([NH2+]Cc1ccccn1)c1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001326490993 1334103576 /nfs/dbraw/zinc/10/35/76/1334103576.db2.gz VCDSEQIMATXRJL-INIZCTEOSA-N 2 2 349.438 2.445 10 0 EEAELP 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/nfs/dbraw/zinc/99/87/71/1337998771.db2.gz NRDHBQUKNVQFGH-INIZCTEOSA-N 2 2 339.430 2.387 10 0 EEAELP C/C(=C\c1ccncc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000847409114 1338037691 /nfs/dbraw/zinc/03/76/91/1338037691.db2.gz JAURZLOZPOTLRE-FOCLMDBBSA-N 2 2 342.487 2.160 10 0 EEAELP C/C(=C/c1ccccn1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485355 1338096068 /nfs/dbraw/zinc/09/60/68/1338096068.db2.gz MXIUDSLJHGRRQX-VDUFWMCCSA-N 2 2 342.487 2.112 10 0 EEAELP C/C(=C/c1ccccn1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485355 1338096070 /nfs/dbraw/zinc/09/60/70/1338096070.db2.gz MXIUDSLJHGRRQX-VDUFWMCCSA-N 2 2 342.487 2.112 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Cl)c(Cl)cc1N ZINC001300612494 1338510481 /nfs/dbraw/zinc/51/04/81/1338510481.db2.gz AUCMJRDZVSNZQA-UHFFFAOYSA-N 2 2 347.290 2.189 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Cl)c(Cl)cc1N ZINC001300612494 1338510487 /nfs/dbraw/zinc/51/04/87/1338510487.db2.gz AUCMJRDZVSNZQA-UHFFFAOYSA-N 2 2 347.290 2.189 10 0 EEAELP Cn1c[nH+]c(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)c1 ZINC000849116833 1339146048 /nfs/dbraw/zinc/14/60/48/1339146048.db2.gz YKJJPZCSECLVGY-UHFFFAOYSA-N 2 2 325.338 2.296 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001502720632 1342226590 /nfs/dbraw/zinc/22/65/90/1342226590.db2.gz HUXWUNYIPPZWGU-PBHICJAKSA-N 2 2 346.500 2.473 10 0 EEAELP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCc1ccsc1 ZINC001502720632 1342226592 /nfs/dbraw/zinc/22/65/92/1342226592.db2.gz HUXWUNYIPPZWGU-PBHICJAKSA-N 2 2 346.500 2.473 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001507357194 1342318631 /nfs/dbraw/zinc/31/86/31/1342318631.db2.gz PZNQYQSKXYZKJK-HKUYNNGSSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@H]12 ZINC001507357194 1342318635 /nfs/dbraw/zinc/31/86/35/1342318635.db2.gz PZNQYQSKXYZKJK-HKUYNNGSSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001507357194 1342318637 /nfs/dbraw/zinc/31/86/37/1342318637.db2.gz PZNQYQSKXYZKJK-HKUYNNGSSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@H]12 ZINC001507357194 1342318642 /nfs/dbraw/zinc/31/86/42/1342318642.db2.gz PZNQYQSKXYZKJK-HKUYNNGSSA-N 2 2 348.491 2.128 10 0 EEAELP CCS(=O)(=O)CCCCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233757 1342509165 /nfs/dbraw/zinc/50/91/65/1342509165.db2.gz KONWKKDIOOOHBU-UHFFFAOYSA-N 2 2 327.494 2.205 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccccc1F)NC(=O)Cc1c[nH+]cn1C ZINC001676001380 1357085547 /nfs/dbraw/zinc/08/55/47/1357085547.db2.gz IVDWAICMAAOBMH-AWEZNQCLSA-N 2 2 332.423 2.176 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]([NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001566711494 1342610282 /nfs/dbraw/zinc/61/02/82/1342610282.db2.gz OSCSFZFJQWLGMU-HNNXBMFYSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]([NH2+]Cc1ccnc(Cl)c1)C1CC1 ZINC001566711494 1342610284 /nfs/dbraw/zinc/61/02/84/1342610284.db2.gz OSCSFZFJQWLGMU-HNNXBMFYSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(NC[C@H]([NH2+]Cc1cncs1)C1CC1)c1cccc2[nH+]ccn21 ZINC001566715934 1342611983 /nfs/dbraw/zinc/61/19/83/1342611983.db2.gz FJBCKWKQMSYMEZ-AWEZNQCLSA-N 2 2 341.440 2.089 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001567409425 1342756530 /nfs/dbraw/zinc/75/65/30/1342756530.db2.gz HLFYBJGMKYYGQP-HNNXBMFYSA-N 2 2 337.427 2.072 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001567409425 1342756534 /nfs/dbraw/zinc/75/65/34/1342756534.db2.gz HLFYBJGMKYYGQP-HNNXBMFYSA-N 2 2 337.427 2.072 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001569652893 1342918470 /nfs/dbraw/zinc/91/84/70/1342918470.db2.gz BAILGGSRAVGQAU-QGZVFWFLSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001569652893 1342918471 /nfs/dbraw/zinc/91/84/71/1342918471.db2.gz BAILGGSRAVGQAU-QGZVFWFLSA-N 2 2 347.850 2.021 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CCC[N@H+](CCCCCF)C1 ZINC001569723861 1342933560 /nfs/dbraw/zinc/93/35/60/1342933560.db2.gz KXWDZIBSWOJENG-SFHVURJKSA-N 2 2 338.471 2.321 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@]1(C)CCC[N@@H+](CCCCCF)C1 ZINC001569723861 1342933562 /nfs/dbraw/zinc/93/35/62/1342933562.db2.gz KXWDZIBSWOJENG-SFHVURJKSA-N 2 2 338.471 2.321 10 0 EEAELP CC(C)=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CCC[NH+]1CCCC1)O2 ZINC001570235492 1343039173 /nfs/dbraw/zinc/03/91/73/1343039173.db2.gz BVULNMGOOYLLHU-GOSISDBHSA-N 2 2 349.519 2.178 10 0 EEAELP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001571363270 1343199930 /nfs/dbraw/zinc/19/99/30/1343199930.db2.gz ZJDFEDBQXMXZJS-IQAVMSSXSA-N 2 2 336.867 2.025 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@@H](C[NH2+]CCc2cccs2)C1 ZINC001676959929 1357249953 /nfs/dbraw/zinc/24/99/53/1357249953.db2.gz ZZTQYPMYWQFFGT-KGLIPLIRSA-N 2 2 332.473 2.131 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676968942 1357251475 /nfs/dbraw/zinc/25/14/75/1357251475.db2.gz FDSWWPKMGYEHFY-VXGBXAGGSA-N 2 2 332.370 2.088 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2=CC[N@H+](CC[C@@H](C)F)CC2)c[nH+]1 ZINC001677575513 1357360622 /nfs/dbraw/zinc/36/06/22/1357360622.db2.gz WKQOCUUQDMMEPC-CQSZACIVSA-N 2 2 336.455 2.423 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2=CC[N@@H+](CC[C@@H](C)F)CC2)c[nH+]1 ZINC001677575513 1357360624 /nfs/dbraw/zinc/36/06/24/1357360624.db2.gz WKQOCUUQDMMEPC-CQSZACIVSA-N 2 2 336.455 2.423 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]Cc1cccnc1 ZINC001656447834 1354238325 /nfs/dbraw/zinc/23/83/25/1354238325.db2.gz KHQYULAKTFKBHK-QAPCUYQASA-N 2 2 341.459 2.154 10 0 EEAELP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001656890315 1354294990 /nfs/dbraw/zinc/29/49/90/1354294990.db2.gz XRPOLLAXIWNOGR-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001656890315 1354294993 /nfs/dbraw/zinc/29/49/93/1354294993.db2.gz XRPOLLAXIWNOGR-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001661652844 1354668920 /nfs/dbraw/zinc/66/89/20/1354668920.db2.gz FCCQTTZLTYMFAA-YYIAUSFCSA-N 2 2 330.476 2.341 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC001663110983 1354917820 /nfs/dbraw/zinc/91/78/20/1354917820.db2.gz XIIKYYBRGJFTQH-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1CC[C@@H]1CCCCO1 ZINC001663110983 1354917822 /nfs/dbraw/zinc/91/78/22/1354917822.db2.gz XIIKYYBRGJFTQH-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001664195782 1355111545 /nfs/dbraw/zinc/11/15/45/1355111545.db2.gz UJJUEEGVRAXTLX-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@](C)(C[NH2+]C/C=C\Cl)C1CC1 ZINC001666022267 1355426913 /nfs/dbraw/zinc/42/69/13/1355426913.db2.gz VDOQOFJZXJPRNL-STNZZRRYSA-N 2 2 336.867 2.151 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCOC1 ZINC001667307509 1355705782 /nfs/dbraw/zinc/70/57/82/1355705782.db2.gz ZDKRCKYOWKDZHW-ZWKOTPCHSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(NC[C@@H](O)C[NH2+]CCCC1CCCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001667842169 1355821237 /nfs/dbraw/zinc/82/12/37/1355821237.db2.gz FFMPZWQQDOLBNT-INIZCTEOSA-N 2 2 344.459 2.214 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)CCc1c[nH+]cn1C)c1ccccc1 ZINC001669167535 1356114465 /nfs/dbraw/zinc/11/44/65/1356114465.db2.gz OJEFRVIFYMTNQY-MWWKQMNYSA-N 2 2 326.444 2.376 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001669457920 1356162332 /nfs/dbraw/zinc/16/23/32/1356162332.db2.gz JKPFEARGHGSUSL-CQSZACIVSA-N 2 2 328.460 2.160 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001669577092 1356177834 /nfs/dbraw/zinc/17/78/34/1356177834.db2.gz PYNXTXIDRUNKII-STQMWFEESA-N 2 2 328.407 2.262 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001669577092 1356177839 /nfs/dbraw/zinc/17/78/39/1356177839.db2.gz PYNXTXIDRUNKII-STQMWFEESA-N 2 2 328.407 2.262 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC001671700335 1356398613 /nfs/dbraw/zinc/39/86/13/1356398613.db2.gz SWKQYEYEFLBWSY-LJQANCHMSA-N 2 2 338.411 2.410 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001671700335 1356398616 /nfs/dbraw/zinc/39/86/16/1356398616.db2.gz SWKQYEYEFLBWSY-LJQANCHMSA-N 2 2 338.411 2.410 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001672538320 1356550129 /nfs/dbraw/zinc/55/01/29/1356550129.db2.gz PCYAVZBRUGRALK-KBAYOESNSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001672538320 1356550131 /nfs/dbraw/zinc/55/01/31/1356550131.db2.gz PCYAVZBRUGRALK-KBAYOESNSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001672538320 1356550140 /nfs/dbraw/zinc/55/01/40/1356550140.db2.gz PCYAVZBRUGRALK-KBAYOESNSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001672538320 1356550144 /nfs/dbraw/zinc/55/01/44/1356550144.db2.gz PCYAVZBRUGRALK-KBAYOESNSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[NH+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001673021443 1356633948 /nfs/dbraw/zinc/63/39/48/1356633948.db2.gz WTTGZXHHNGZYSB-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@@H]1COC2(C[NH+](CC3=CCCCC3)C2)C1 ZINC001673575305 1356713514 /nfs/dbraw/zinc/71/35/14/1356713514.db2.gz HZIXPMZQZWSEJU-SFHVURJKSA-N 2 2 349.519 2.178 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)sc1C ZINC001699108023 1405263629 /nfs/dbraw/zinc/26/36/29/1405263629.db2.gz XPRODXQUAHCXDR-LLVKDONJSA-N 2 2 335.477 2.100 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)sc1C ZINC001699108023 1405263636 /nfs/dbraw/zinc/26/36/36/1405263636.db2.gz XPRODXQUAHCXDR-LLVKDONJSA-N 2 2 335.477 2.100 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C)CC[NH2+]CCc2ccnn2C)c(C)[nH+]1 ZINC001699118550 1405273953 /nfs/dbraw/zinc/27/39/53/1405273953.db2.gz DZBCTKMDFVIEHG-CQSZACIVSA-N 2 2 343.475 2.081 10 0 EEAELP Cc1ncsc1C[NH2+]CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001699545283 1405380006 /nfs/dbraw/zinc/38/00/06/1405380006.db2.gz LISWYAAFNAGLBE-UHFFFAOYSA-N 2 2 335.477 2.091 10 0 EEAELP CCN1C[C@@H](C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)OC1=O ZINC000846888981 790711374 /nfs/dbraw/zinc/71/13/74/790711374.db2.gz LAZQKYWTBJTSEN-GOEBONIOSA-N 2 2 332.448 2.240 10 0 EEAELP CCN1C[C@@H](C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)OC1=O ZINC000846888981 790711384 /nfs/dbraw/zinc/71/13/84/790711384.db2.gz LAZQKYWTBJTSEN-GOEBONIOSA-N 2 2 332.448 2.240 10 0 EEAELP C/C(=C\C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000907446838 784650678 /nfs/dbraw/zinc/65/06/78/784650678.db2.gz KZXKPXFXZLTAIK-QRKDJSQXSA-N 2 2 345.487 2.073 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+]1CCCC1 ZINC000911566575 787543033 /nfs/dbraw/zinc/54/30/33/787543033.db2.gz FMSDNSZDTXMDEJ-ICSRJNTNSA-N 2 2 338.455 2.231 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)/C=C\[C@H]1COC(C)(C)O1 ZINC001136818940 788032576 /nfs/dbraw/zinc/03/25/76/788032576.db2.gz NWCVHDBELOSDGD-ZFDPJTLLSA-N 2 2 328.372 2.222 10 0 EEAELP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000912803049 788375598 /nfs/dbraw/zinc/37/55/98/788375598.db2.gz KNKNUOYYRZKMKS-NVXWUHKLSA-N 2 2 332.492 2.341 10 0 EEAELP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915623 788473288 /nfs/dbraw/zinc/47/32/88/788473288.db2.gz PKXWMIFQXZVGNH-RTBURBONSA-N 2 2 345.462 2.487 10 0 EEAELP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912915623 788473295 /nfs/dbraw/zinc/47/32/95/788473295.db2.gz PKXWMIFQXZVGNH-RTBURBONSA-N 2 2 345.462 2.487 10 0 EEAELP O=C1NC2(CCCCC2)C(=O)N1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000172480864 791695685 /nfs/dbraw/zinc/69/56/85/791695685.db2.gz IUBBZZQYIJJRTQ-UHFFFAOYSA-N 2 2 348.491 2.006 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)/C=C/Cl)CC2)CC1 ZINC000915501071 796288177 /nfs/dbraw/zinc/28/81/77/796288177.db2.gz YNZFNUQMJSGYHM-CMDGGOBGSA-N 2 2 342.915 2.375 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000444128081 796685713 /nfs/dbraw/zinc/68/57/13/796685713.db2.gz XWQFACKGKUKJSS-AQFXKWCLSA-N 2 2 347.507 2.430 10 0 EEAELP COC(=O)COc1ccccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000922081425 798847436 /nfs/dbraw/zinc/84/74/36/798847436.db2.gz OUXVIPRWHDMENC-UHFFFAOYSA-N 2 2 332.444 2.345 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H](C)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001437174140 1089203638 /nfs/dbraw/zinc/20/36/38/1089203638.db2.gz NRMKTWXTOBYNOV-LBPRGKRZSA-N 2 2 349.504 2.240 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)sn1 ZINC001437403025 1089674443 /nfs/dbraw/zinc/67/44/43/1089674443.db2.gz RAGWSFLUMAXXBF-NWDGAFQWSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)sn1 ZINC001437403025 1089674452 /nfs/dbraw/zinc/67/44/52/1089674452.db2.gz RAGWSFLUMAXXBF-NWDGAFQWSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H]2CNC(=O)CC[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC001437683552 1090220190 /nfs/dbraw/zinc/22/01/90/1090220190.db2.gz XXWYNMQBWNQIPK-IRXDYDNUSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H]2CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC001437683552 1090220195 /nfs/dbraw/zinc/22/01/95/1090220195.db2.gz XXWYNMQBWNQIPK-IRXDYDNUSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)CC[C@@H]2CCC[NH+]2C)c(C)o1 ZINC001437683552 1090220200 /nfs/dbraw/zinc/22/02/00/1090220200.db2.gz XXWYNMQBWNQIPK-IRXDYDNUSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)CC[C@@H]2CCC[NH+]2C)c(C)o1 ZINC001437683552 1090220206 /nfs/dbraw/zinc/22/02/06/1090220206.db2.gz XXWYNMQBWNQIPK-IRXDYDNUSA-N 2 2 348.491 2.246 10 0 EEAELP CC(C)(C)CC[N@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001437786822 1090372805 /nfs/dbraw/zinc/37/28/05/1090372805.db2.gz RXEOFMSMCRIDHE-HNNXBMFYSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)(C)CC[N@@H+](CCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001437786822 1090372810 /nfs/dbraw/zinc/37/28/10/1090372810.db2.gz RXEOFMSMCRIDHE-HNNXBMFYSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)O1 ZINC001438062078 1090625310 /nfs/dbraw/zinc/62/53/10/1090625310.db2.gz KBKPZXQPHINHNE-RHSMWYFYSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@@H]1CC[C@H](C[NH+]2CC(NC(=O)C(C)(C)[N@@H+](C)C3CCCC3)C2)O1 ZINC001438062078 1090625312 /nfs/dbraw/zinc/62/53/12/1090625312.db2.gz KBKPZXQPHINHNE-RHSMWYFYSA-N 2 2 337.508 2.007 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC1(C[NH2+]Cc2cncs2)CCCC1 ZINC001438394789 1090881837 /nfs/dbraw/zinc/88/18/37/1090881837.db2.gz ARQLMEGAGAMFRM-UHFFFAOYSA-N 2 2 347.488 2.028 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1C[N@H+](CCC2CC2)CCO1 ZINC001438562977 1091053836 /nfs/dbraw/zinc/05/38/36/1091053836.db2.gz BLKYWMHDUGKVQW-RDJZCZTQSA-N 2 2 348.491 2.014 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1C[N@@H+](CCC2CC2)CCO1 ZINC001438562977 1091053840 /nfs/dbraw/zinc/05/38/40/1091053840.db2.gz BLKYWMHDUGKVQW-RDJZCZTQSA-N 2 2 348.491 2.014 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445397244 1091143494 /nfs/dbraw/zinc/14/34/94/1091143494.db2.gz JWDVBOGWTITFPC-UKRRQHHQSA-N 2 2 346.862 2.393 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001438665932 1091155102 /nfs/dbraw/zinc/15/51/02/1091155102.db2.gz FHDLBFSHGIHROD-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001438835156 1091459799 /nfs/dbraw/zinc/45/97/99/1091459799.db2.gz OUPDSXLVRVZAJQ-ZFWWWQNUSA-N 2 2 333.436 2.061 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(F)cc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438930551 1091611111 /nfs/dbraw/zinc/61/11/11/1091611111.db2.gz XJWQFQRJPHWXTL-UHFFFAOYSA-N 2 2 332.423 2.417 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc(F)cc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001438930551 1091611116 /nfs/dbraw/zinc/61/11/16/1091611116.db2.gz XJWQFQRJPHWXTL-UHFFFAOYSA-N 2 2 332.423 2.417 10 0 EEAELP Cc1conc1C[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001445899219 1091826020 /nfs/dbraw/zinc/82/60/20/1091826020.db2.gz PBRJGZWHZZYTSB-JKSUJKDBSA-N 2 2 345.447 2.034 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001439236626 1091883521 /nfs/dbraw/zinc/88/35/21/1091883521.db2.gz OPZGBSFQPFJYCJ-GJZGRUSLSA-N 2 2 330.432 2.137 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001446335631 1092542902 /nfs/dbraw/zinc/54/29/02/1092542902.db2.gz GNCYLPHLIGAUJM-IBGZPJMESA-N 2 2 348.491 2.037 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001446335631 1092542912 /nfs/dbraw/zinc/54/29/12/1092542912.db2.gz GNCYLPHLIGAUJM-IBGZPJMESA-N 2 2 348.491 2.037 10 0 EEAELP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]C[C@H]2CCCCO2)C1)c1c[nH+]c[nH]1 ZINC001439900915 1092961722 /nfs/dbraw/zinc/96/17/22/1092961722.db2.gz IYHSTCNBJOFOQA-BEFAXECRSA-N 2 2 348.491 2.085 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)c1 ZINC001440839826 1094094498 /nfs/dbraw/zinc/09/44/98/1094094498.db2.gz YEDYLABNJVQHQA-CABCVRRESA-N 2 2 332.423 2.404 10 0 EEAELP CCc1nocc1C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCCC1 ZINC001441109628 1094422980 /nfs/dbraw/zinc/42/29/80/1094422980.db2.gz RKKZTPLZIOHVHI-UHFFFAOYSA-N 2 2 345.447 2.112 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1CCC(F)(F)F ZINC001441130358 1094457251 /nfs/dbraw/zinc/45/72/51/1094457251.db2.gz CKCZOADEHFMWNQ-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1CCC(F)(F)F ZINC001441130358 1094457257 /nfs/dbraw/zinc/45/72/57/1094457257.db2.gz CKCZOADEHFMWNQ-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP C[N@H+](CC(=O)N1C[C@]2(C)C[NH+](CCF)C[C@]2(C)C1)Cc1ccccc1 ZINC001441340595 1094835496 /nfs/dbraw/zinc/83/54/96/1094835496.db2.gz YSPIJTUHYOGSBM-BGYRXZFFSA-N 2 2 347.478 2.258 10 0 EEAELP C[N@@H+](CC(=O)N1C[C@]2(C)C[NH+](CCF)C[C@]2(C)C1)Cc1ccccc1 ZINC001441340595 1094835512 /nfs/dbraw/zinc/83/55/12/1094835512.db2.gz YSPIJTUHYOGSBM-BGYRXZFFSA-N 2 2 347.478 2.258 10 0 EEAELP C[NH+](CC(=O)N1C[C@]2(C)C[N@H+](CCF)C[C@]2(C)C1)Cc1ccccc1 ZINC001441340595 1094835528 /nfs/dbraw/zinc/83/55/28/1094835528.db2.gz YSPIJTUHYOGSBM-BGYRXZFFSA-N 2 2 347.478 2.258 10 0 EEAELP C[NH+](CC(=O)N1C[C@]2(C)C[N@@H+](CCF)C[C@]2(C)C1)Cc1ccccc1 ZINC001441340595 1094835543 /nfs/dbraw/zinc/83/55/43/1094835543.db2.gz YSPIJTUHYOGSBM-BGYRXZFFSA-N 2 2 347.478 2.258 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001441588374 1095412279 /nfs/dbraw/zinc/41/22/79/1095412279.db2.gz FLCKQDHCIBCEQK-CABCVRRESA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001441588374 1095412285 /nfs/dbraw/zinc/41/22/85/1095412285.db2.gz FLCKQDHCIBCEQK-CABCVRRESA-N 2 2 344.459 2.234 10 0 EEAELP Cc1nc(C[NH2+]C2CCC(NC(=O)CCCn3cc[nH+]c3)CC2)co1 ZINC001441740125 1095729566 /nfs/dbraw/zinc/72/95/66/1095729566.db2.gz KGXXTVFNSZOMRH-UHFFFAOYSA-N 2 2 345.447 2.177 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccccn1)CC2 ZINC001441862219 1095962130 /nfs/dbraw/zinc/96/21/30/1095962130.db2.gz ISIYQKJMOXLDSJ-PKOBYXMFSA-N 2 2 339.443 2.051 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@]12CCC[C@@H]1[N@@H+](Cc1ccccn1)CC2 ZINC001441862219 1095962133 /nfs/dbraw/zinc/96/21/33/1095962133.db2.gz ISIYQKJMOXLDSJ-PKOBYXMFSA-N 2 2 339.443 2.051 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001443192215 1097637381 /nfs/dbraw/zinc/63/73/81/1097637381.db2.gz YHLQQQKFECONLN-AEFFLSMTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC001443192215 1097637387 /nfs/dbraw/zinc/63/73/87/1097637387.db2.gz YHLQQQKFECONLN-AEFFLSMTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001443192215 1097637390 /nfs/dbraw/zinc/63/73/90/1097637390.db2.gz YHLQQQKFECONLN-AEFFLSMTSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2cnc(C)o2)C1 ZINC001443192215 1097637393 /nfs/dbraw/zinc/63/73/93/1097637393.db2.gz YHLQQQKFECONLN-AEFFLSMTSA-N 2 2 348.491 2.280 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001479486793 1098561093 /nfs/dbraw/zinc/56/10/93/1098561093.db2.gz KZXXTGYLAHEANX-DLBZAZTESA-N 2 2 332.492 2.417 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)n1 ZINC001479737966 1098849120 /nfs/dbraw/zinc/84/91/20/1098849120.db2.gz RBGDUCXSODBODD-SFHVURJKSA-N 2 2 349.523 2.229 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)n1 ZINC001479737966 1098849126 /nfs/dbraw/zinc/84/91/26/1098849126.db2.gz RBGDUCXSODBODD-SFHVURJKSA-N 2 2 349.523 2.229 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)Cc1cccc(F)c1 ZINC001479780416 1098966540 /nfs/dbraw/zinc/96/65/40/1098966540.db2.gz IBGRLPADFYARLA-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)Cc1cccc(F)c1 ZINC001479780416 1098966548 /nfs/dbraw/zinc/96/65/48/1098966548.db2.gz IBGRLPADFYARLA-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP COc1cccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc2[nH]c[nH+]c2C)c1 ZINC001444427884 1099052441 /nfs/dbraw/zinc/05/24/41/1099052441.db2.gz UUKLGOVMCLCCRU-KGLIPLIRSA-N 2 2 344.459 2.372 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)CCc2c[nH+]cn2C)sc1C ZINC001479810937 1099067231 /nfs/dbraw/zinc/06/72/31/1099067231.db2.gz VQBLARDVVXYMPD-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)CCc2c[nH+]cn2C)sc1C ZINC001479810937 1099067241 /nfs/dbraw/zinc/06/72/41/1099067241.db2.gz VQBLARDVVXYMPD-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001444633976 1099460970 /nfs/dbraw/zinc/46/09/70/1099460970.db2.gz MFRDQYWUZIQAKZ-CYBMUJFWSA-N 2 2 347.463 2.114 10 0 EEAELP CCC(CC)C[NH2+][C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001480030799 1099519618 /nfs/dbraw/zinc/51/96/18/1099519618.db2.gz PXAWSFYNFXTIDZ-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001444679275 1099522713 /nfs/dbraw/zinc/52/27/13/1099522713.db2.gz GSSWZRYKWBNWNV-ZIAGYGMSSA-N 2 2 347.463 2.330 10 0 EEAELP CC(C)C[C@H](C[NH2+]Cc1ccsc1)NC(=O)Cc1c[nH+]cn1C ZINC001444764377 1099658164 /nfs/dbraw/zinc/65/81/64/1099658164.db2.gz ZWNZPRFAQKJERD-OAHLLOKOSA-N 2 2 334.489 2.345 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@H+](CC=C(Cl)Cl)C1 ZINC001480258058 1099924336 /nfs/dbraw/zinc/92/43/36/1099924336.db2.gz WCVVVWFQEXWRLD-ZDUSSCGKSA-N 2 2 345.274 2.339 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCC[N@@H+](CC=C(Cl)Cl)C1 ZINC001480258058 1099924345 /nfs/dbraw/zinc/92/43/45/1099924345.db2.gz WCVVVWFQEXWRLD-ZDUSSCGKSA-N 2 2 345.274 2.339 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001445133126 1100387104 /nfs/dbraw/zinc/38/71/04/1100387104.db2.gz NVEBHQAPCCZNDK-HZPDHXFCSA-N 2 2 348.491 2.035 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001445133126 1100387112 /nfs/dbraw/zinc/38/71/12/1100387112.db2.gz NVEBHQAPCCZNDK-HZPDHXFCSA-N 2 2 348.491 2.035 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001495119683 1100778245 /nfs/dbraw/zinc/77/82/45/1100778245.db2.gz ZXPZXTIRNVQPNO-WBVHZDCISA-N 2 2 330.407 2.194 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@](C)(C[NH2+]CCCF)C3CC3)[nH+]c12 ZINC001495287431 1100986011 /nfs/dbraw/zinc/98/60/11/1100986011.db2.gz FUGPOVYKEFUNPT-LJQANCHMSA-N 2 2 346.450 2.419 10 0 EEAELP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ncc(C)o2)C1)[NH+](CC)CC ZINC001446567921 1101051786 /nfs/dbraw/zinc/05/17/86/1101051786.db2.gz XETNZAHTNLTVDO-YJBOKZPZSA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@@H](C(=O)N[C@@]1(C)CC[N@@H+](Cc2ncc(C)o2)C1)[NH+](CC)CC ZINC001446567921 1101051795 /nfs/dbraw/zinc/05/17/95/1101051795.db2.gz 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2 2 341.499 2.453 10 0 EEAELP CN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001473903005 1110585083 /nfs/dbraw/zinc/58/50/83/1110585083.db2.gz YBQWJFHYFFUYAK-OYRHEFFESA-N 2 2 341.499 2.453 10 0 EEAELP CN(Cc1ccccc1)C(=O)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001473903005 1110585084 /nfs/dbraw/zinc/58/50/84/1110585084.db2.gz YBQWJFHYFFUYAK-OYRHEFFESA-N 2 2 341.499 2.453 10 0 EEAELP CN(Cc1ccccc1)C(=O)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001473903005 1110585085 /nfs/dbraw/zinc/58/50/85/1110585085.db2.gz YBQWJFHYFFUYAK-OYRHEFFESA-N 2 2 341.499 2.453 10 0 EEAELP c1cn(-c2csc(C[NH2+]Cc3ccnc(-n4cncn4)c3)c2)c[nH+]1 ZINC001474233640 1110591617 /nfs/dbraw/zinc/59/16/17/1110591617.db2.gz FUAWQKHYUTUAIK-UHFFFAOYSA-N 2 2 337.412 2.199 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@H]1CC[N@@H+]1CCc1ccccc1F ZINC001479232442 1110663724 /nfs/dbraw/zinc/66/37/24/1110663724.db2.gz XKJNKRMJRQMWAQ-QGZVFWFLSA-N 2 2 344.434 2.106 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@H]1CC[N@H+]1CCc1ccccc1F ZINC001479232442 1110663725 /nfs/dbraw/zinc/66/37/25/1110663725.db2.gz XKJNKRMJRQMWAQ-QGZVFWFLSA-N 2 2 344.434 2.106 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H]2C[C@H](CNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001479418876 1110694604 /nfs/dbraw/zinc/69/46/04/1110694604.db2.gz ZCXDKKXBLDYVQO-WGSAOQKQSA-N 2 2 340.471 2.309 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001501655671 1113417726 /nfs/dbraw/zinc/41/77/26/1113417726.db2.gz XGGSTAHSCZQXQK-OAHLLOKOSA-N 2 2 332.473 2.016 10 0 EEAELP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC1 ZINC001501970964 1113543063 /nfs/dbraw/zinc/54/30/63/1113543063.db2.gz MCQZGJKQTMYTPM-CWDCEQMOSA-N 2 2 330.476 2.430 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001502407009 1113671279 /nfs/dbraw/zinc/67/12/79/1113671279.db2.gz YDKJFLXUOCGGRM-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001502407009 1113671283 /nfs/dbraw/zinc/67/12/83/1113671283.db2.gz YDKJFLXUOCGGRM-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP CCn1ccc(C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001505920270 1114277476 /nfs/dbraw/zinc/27/74/76/1114277476.db2.gz JFSRBLZAVGGIBF-MRXNPFEDSA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001505920270 1114277478 /nfs/dbraw/zinc/27/74/78/1114277478.db2.gz JFSRBLZAVGGIBF-MRXNPFEDSA-N 2 2 349.523 2.104 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001506867356 1114937107 /nfs/dbraw/zinc/93/71/07/1114937107.db2.gz XJDYOPRKZNTSPB-KRWDZBQOSA-N 2 2 332.492 2.490 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001506867356 1114937109 /nfs/dbraw/zinc/93/71/09/1114937109.db2.gz XJDYOPRKZNTSPB-KRWDZBQOSA-N 2 2 332.492 2.490 10 0 EEAELP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cc(F)ccc1F ZINC001507381693 1115240553 /nfs/dbraw/zinc/24/05/53/1115240553.db2.gz JYGFXEPLEDQCKF-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cc(F)ccc1F ZINC001507381693 1115240556 /nfs/dbraw/zinc/24/05/56/1115240556.db2.gz JYGFXEPLEDQCKF-CXAGYDPISA-N 2 2 339.430 2.386 10 0 EEAELP CN(C[C@H](O)C[N@H+](C)CC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507655569 1115316332 /nfs/dbraw/zinc/31/63/32/1115316332.db2.gz GXFHAPGMJPCAPX-MRXNPFEDSA-N 2 2 344.459 2.118 10 0 EEAELP CN(C[C@H](O)C[N@@H+](C)CC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507655569 1115316334 /nfs/dbraw/zinc/31/63/34/1115316334.db2.gz GXFHAPGMJPCAPX-MRXNPFEDSA-N 2 2 344.459 2.118 10 0 EEAELP CN(C[C@H](O)C[N@H+](C)CCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001507674618 1115318011 /nfs/dbraw/zinc/31/80/11/1115318011.db2.gz GRTCPOZAAUGUQG-OAHLLOKOSA-N 2 2 346.475 2.135 10 0 EEAELP CN(C[C@H](O)C[N@@H+](C)CCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001507674618 1115318013 /nfs/dbraw/zinc/31/80/13/1115318013.db2.gz GRTCPOZAAUGUQG-OAHLLOKOSA-N 2 2 346.475 2.135 10 0 EEAELP CCOCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001508075354 1115412305 /nfs/dbraw/zinc/41/23/05/1115412305.db2.gz WNDGLNWDCMQGCL-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP CCOCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001508075354 1115412308 /nfs/dbraw/zinc/41/23/08/1115412308.db2.gz WNDGLNWDCMQGCL-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CC=C(Cl)Cl ZINC001568179692 1124342830 /nfs/dbraw/zinc/34/28/30/1124342830.db2.gz XXPFHCBSUHWEHU-NWDGAFQWSA-N 2 2 345.274 2.106 10 0 EEAELP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001568515570 1124578518 /nfs/dbraw/zinc/57/85/18/1124578518.db2.gz MGYKHRISWPIDQB-FUHWJXTLSA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]cn3C)CC[C@H]21 ZINC001568515570 1124578528 /nfs/dbraw/zinc/57/85/28/1124578528.db2.gz MGYKHRISWPIDQB-FUHWJXTLSA-N 2 2 332.492 2.466 10 0 EEAELP CCN(CC[NH2+]Cc1cnc(C)o1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001568753516 1124767556 /nfs/dbraw/zinc/76/75/56/1124767556.db2.gz FGWDFRFTENKQIH-UHFFFAOYSA-N 2 2 327.388 2.111 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1 ZINC001568954019 1124988262 /nfs/dbraw/zinc/98/82/62/1124988262.db2.gz KKYSOMHQSROFFC-NSCUHMNNSA-N 2 2 332.835 2.376 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]Cc2cncs2)c[nH+]1 ZINC001569213774 1125169885 /nfs/dbraw/zinc/16/98/85/1125169885.db2.gz LMWFBKZKGOFQFV-UHFFFAOYSA-N 2 2 335.477 2.021 10 0 EEAELP CCCCNC(=O)Nc1ncc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272647 539992500 /nfs/dbraw/zinc/99/25/00/539992500.db2.gz SQAAGIZDIGSDTI-YPMHNXCESA-N 2 2 325.482 2.234 10 0 EEAELP CCCCNC(=O)Nc1ncc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)s1 ZINC000725272647 539992502 /nfs/dbraw/zinc/99/25/02/539992502.db2.gz SQAAGIZDIGSDTI-YPMHNXCESA-N 2 2 325.482 2.234 10 0 EEAELP C[C@H](c1cc(Cl)ccc1Cl)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031063 202089579 /nfs/dbraw/zinc/08/95/79/202089579.db2.gz GEUCPJKYZFKYJT-LLVKDONJSA-N 2 2 330.259 2.418 10 0 EEAELP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000038031063 202089583 /nfs/dbraw/zinc/08/95/83/202089583.db2.gz GEUCPJKYZFKYJT-LLVKDONJSA-N 2 2 330.259 2.418 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423543410 240524725 /nfs/dbraw/zinc/52/47/25/240524725.db2.gz BTQNJSDPNVZVAZ-CZUORRHYSA-N 2 2 325.478 2.241 10 0 EEAELP O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000426820513 241343275 /nfs/dbraw/zinc/34/32/75/241343275.db2.gz ZLODRZKZWLMPEN-BGYRXZFFSA-N 2 2 341.499 2.453 10 0 EEAELP O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000426820513 241343284 /nfs/dbraw/zinc/34/32/84/241343284.db2.gz ZLODRZKZWLMPEN-BGYRXZFFSA-N 2 2 341.499 2.453 10 0 EEAELP C[C@H]1CN(Cc2cc(-n3cc[nH+]c3)cs2)CC[N@@H+]1CC(C)(C)O ZINC000438342319 242011081 /nfs/dbraw/zinc/01/10/81/242011081.db2.gz NOAMJHNQYROONO-AWEZNQCLSA-N 2 2 334.489 2.211 10 0 EEAELP C[C@H]1CN(Cc2cc(-n3cc[nH+]c3)cs2)CC[N@H+]1CC(C)(C)O ZINC000438342319 242011085 /nfs/dbraw/zinc/01/10/85/242011085.db2.gz NOAMJHNQYROONO-AWEZNQCLSA-N 2 2 334.489 2.211 10 0 EEAELP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000246714040 243299025 /nfs/dbraw/zinc/29/90/25/243299025.db2.gz XCSXZDMZOKULJY-ZIAGYGMSSA-N 2 2 337.414 2.188 10 0 EEAELP O=C(C[C@H]1CCC[NH2+]1)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000246714040 243299037 /nfs/dbraw/zinc/29/90/37/243299037.db2.gz XCSXZDMZOKULJY-ZIAGYGMSSA-N 2 2 337.414 2.188 10 0 EEAELP Cc1cc(Br)cn2c(C[NH2+]CCc3cn(C)c[nH+]3)cnc12 ZINC000459664726 245201112 /nfs/dbraw/zinc/20/11/12/245201112.db2.gz PSXWSTPKBVWEFO-UHFFFAOYSA-N 2 2 348.248 2.471 10 0 EEAELP O[C@H](C[NH2+]CC[NH+]1CCCC1)COc1ccc(Cl)c(Cl)c1 ZINC000048299154 204346593 /nfs/dbraw/zinc/34/65/93/204346593.db2.gz KQSDQQGBQXXIBK-GFCCVEGCSA-N 2 2 333.259 2.419 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268804225 252256642 /nfs/dbraw/zinc/25/66/42/252256642.db2.gz BXSKGPNWEWULMD-WIYYLYMNSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268804225 252256645 /nfs/dbraw/zinc/25/66/45/252256645.db2.gz BXSKGPNWEWULMD-WIYYLYMNSA-N 3 2 345.531 2.333 10 0 EEAELP COC(=O)c1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000271070539 256204999 /nfs/dbraw/zinc/20/49/99/256204999.db2.gz VKASRTVQTMZBRU-CXAGYDPISA-N 2 2 348.443 2.174 10 0 EEAELP COC(=O)c1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000271070539 256205000 /nfs/dbraw/zinc/20/50/00/256205000.db2.gz VKASRTVQTMZBRU-CXAGYDPISA-N 2 2 348.443 2.174 10 0 EEAELP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000271070539 256205002 /nfs/dbraw/zinc/20/50/02/256205002.db2.gz VKASRTVQTMZBRU-CXAGYDPISA-N 2 2 348.443 2.174 10 0 EEAELP COC(=O)c1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(C(=O)OC)c1 ZINC000271070539 256205003 /nfs/dbraw/zinc/20/50/03/256205003.db2.gz VKASRTVQTMZBRU-CXAGYDPISA-N 2 2 348.443 2.174 10 0 EEAELP CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2)n1C ZINC000328627078 258031378 /nfs/dbraw/zinc/03/13/78/258031378.db2.gz FUFBXXWORNIVMD-INIZCTEOSA-N 2 2 329.448 2.199 10 0 EEAELP CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2)n1C ZINC000328627078 258031381 /nfs/dbraw/zinc/03/13/81/258031381.db2.gz FUFBXXWORNIVMD-INIZCTEOSA-N 2 2 329.448 2.199 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000354176380 153154003 /nfs/dbraw/zinc/15/40/03/153154003.db2.gz KDWYJFRCGAXMMX-IBGZPJMESA-N 3 2 325.460 2.493 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000354176380 153154008 /nfs/dbraw/zinc/15/40/08/153154008.db2.gz KDWYJFRCGAXMMX-IBGZPJMESA-N 3 2 325.460 2.493 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354176380 153154013 /nfs/dbraw/zinc/15/40/13/153154013.db2.gz KDWYJFRCGAXMMX-IBGZPJMESA-N 3 2 325.460 2.493 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000354176380 153154015 /nfs/dbraw/zinc/15/40/15/153154015.db2.gz KDWYJFRCGAXMMX-IBGZPJMESA-N 3 2 325.460 2.493 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000377244034 154102337 /nfs/dbraw/zinc/10/23/37/154102337.db2.gz SIEOCNAZXCLUIW-QAPCUYQASA-N 2 2 341.459 2.408 10 0 EEAELP C[N@H+](CCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000377328205 154145631 /nfs/dbraw/zinc/14/56/31/154145631.db2.gz AVFCSWZFVHQUOF-MRXNPFEDSA-N 2 2 341.459 2.088 10 0 EEAELP C[N@@H+](CCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1 ZINC000377328205 154145636 /nfs/dbraw/zinc/14/56/36/154145636.db2.gz AVFCSWZFVHQUOF-MRXNPFEDSA-N 2 2 341.459 2.088 10 0 EEAELP C[N@H+](CCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000377328205 154145639 /nfs/dbraw/zinc/14/56/39/154145639.db2.gz AVFCSWZFVHQUOF-MRXNPFEDSA-N 2 2 341.459 2.088 10 0 EEAELP C[N@@H+](CCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1 ZINC000377328205 154145643 /nfs/dbraw/zinc/14/56/43/154145643.db2.gz AVFCSWZFVHQUOF-MRXNPFEDSA-N 2 2 341.459 2.088 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2ocnc2C2CC2)([NH+]2CCCCC2)CC1 ZINC000377400221 154182359 /nfs/dbraw/zinc/18/23/59/154182359.db2.gz HFOKKGITDYULSI-UHFFFAOYSA-N 2 2 346.475 2.232 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)[C@H]2CCN(c3ccccc3OC)C2=O)[C@@H](C)C1 ZINC000248771892 160360208 /nfs/dbraw/zinc/36/02/08/160360208.db2.gz SXGLICAHUUJLMD-BQFCYCMXSA-N 2 2 345.487 2.463 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)[C@H]2CCN(c3ccccc3OC)C2=O)[C@@H](C)C1 ZINC000248771892 160360209 /nfs/dbraw/zinc/36/02/09/160360209.db2.gz SXGLICAHUUJLMD-BQFCYCMXSA-N 2 2 345.487 2.463 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)[C@H]2CCN(c3ccccc3OC)C2=O)[C@@H](C)C1 ZINC000248771892 160360210 /nfs/dbraw/zinc/36/02/10/160360210.db2.gz SXGLICAHUUJLMD-BQFCYCMXSA-N 2 2 345.487 2.463 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)[C@H]2CCN(c3ccccc3OC)C2=O)[C@@H](C)C1 ZINC000248771892 160360211 /nfs/dbraw/zinc/36/02/11/160360211.db2.gz SXGLICAHUUJLMD-BQFCYCMXSA-N 2 2 345.487 2.463 10 0 EEAELP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)C1 ZINC000186542726 160074240 /nfs/dbraw/zinc/07/42/40/160074240.db2.gz ANXIRUVRACEAGM-DLBZAZTESA-N 2 2 345.491 2.176 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)CCO1 ZINC000190201878 160156185 /nfs/dbraw/zinc/15/61/85/160156185.db2.gz KLUDDAYNWQYKPC-INIZCTEOSA-N 2 2 338.492 2.105 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)CCO1 ZINC000190201878 160156186 /nfs/dbraw/zinc/15/61/86/160156186.db2.gz KLUDDAYNWQYKPC-INIZCTEOSA-N 2 2 338.492 2.105 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246659446 160289063 /nfs/dbraw/zinc/28/90/63/160289063.db2.gz OXHVAYNUINNJOO-ZACQAIPSSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246659446 160289064 /nfs/dbraw/zinc/28/90/64/160289064.db2.gz OXHVAYNUINNJOO-ZACQAIPSSA-N 2 2 333.480 2.178 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158607 160339215 /nfs/dbraw/zinc/33/92/15/160339215.db2.gz RTCFFMBLFAUBNC-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158607 160339217 /nfs/dbraw/zinc/33/92/17/160339217.db2.gz RTCFFMBLFAUBNC-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158607 160339218 /nfs/dbraw/zinc/33/92/18/160339218.db2.gz RTCFFMBLFAUBNC-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)NC1CC1 ZINC000248158607 160339220 /nfs/dbraw/zinc/33/92/20/160339220.db2.gz RTCFFMBLFAUBNC-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)C[N@@H+]1C1CC1 ZINC000343559696 161146688 /nfs/dbraw/zinc/14/66/88/161146688.db2.gz YFPUPOVBBJAPDD-IIHSZXCVSA-N 2 2 327.472 2.391 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)C[N@H+]1C1CC1 ZINC000343559696 161146689 /nfs/dbraw/zinc/14/66/89/161146689.db2.gz YFPUPOVBBJAPDD-IIHSZXCVSA-N 2 2 327.472 2.391 10 0 EEAELP C[N@@H+]1CCCC12CC[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000343751453 161164695 /nfs/dbraw/zinc/16/46/95/161164695.db2.gz PGCWQXOQPONILE-AWEZNQCLSA-N 2 2 347.425 2.348 10 0 EEAELP C[N@H+]1CCCC12CC[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)CC2 ZINC000343751453 161164696 /nfs/dbraw/zinc/16/46/96/161164696.db2.gz PGCWQXOQPONILE-AWEZNQCLSA-N 2 2 347.425 2.348 10 0 EEAELP C[C@H](C[NH2+]Cc1ccccc1-c1ccnn1C)C[NH+]1CCOCC1 ZINC000352602957 162207861 /nfs/dbraw/zinc/20/78/61/162207861.db2.gz FGEXERGWAFIUAX-MRXNPFEDSA-N 2 2 328.460 2.145 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)CS(C)(=O)=O ZINC000360339807 164288041 /nfs/dbraw/zinc/28/80/41/164288041.db2.gz VLLKXBFNZKIABW-RYRKJORJSA-N 2 2 338.517 2.167 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)CS(C)(=O)=O ZINC000360339807 164288042 /nfs/dbraw/zinc/28/80/42/164288042.db2.gz VLLKXBFNZKIABW-RYRKJORJSA-N 2 2 338.517 2.167 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000369080001 166184708 /nfs/dbraw/zinc/18/47/08/166184708.db2.gz ZXJBGIBRDZRUGC-FUHWJXTLSA-N 2 2 330.407 2.053 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000369080001 166184711 /nfs/dbraw/zinc/18/47/11/166184711.db2.gz ZXJBGIBRDZRUGC-FUHWJXTLSA-N 2 2 330.407 2.053 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000369393641 166251574 /nfs/dbraw/zinc/25/15/74/166251574.db2.gz NPGPYYLFYMAMNB-WDSOQIARSA-N 2 2 342.487 2.010 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000369393641 166251577 /nfs/dbraw/zinc/25/15/77/166251577.db2.gz NPGPYYLFYMAMNB-WDSOQIARSA-N 2 2 342.487 2.010 10 0 EEAELP CC(C)n1nnnc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369650556 166304846 /nfs/dbraw/zinc/30/48/46/166304846.db2.gz WRCJDRYNJQRNAT-NVXWUHKLSA-N 2 2 328.464 2.254 10 0 EEAELP CC(C)n1nnnc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000369650556 166304848 /nfs/dbraw/zinc/30/48/48/166304848.db2.gz WRCJDRYNJQRNAT-NVXWUHKLSA-N 2 2 328.464 2.254 10 0 EEAELP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000376593845 167357262 /nfs/dbraw/zinc/35/72/62/167357262.db2.gz WUQXDMDMLPMSIP-INIZCTEOSA-N 2 2 332.448 2.417 10 0 EEAELP COCC[N@@H+]1CC[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000274724164 269046636 /nfs/dbraw/zinc/04/66/36/269046636.db2.gz FTRPBCGGDOIZRK-UXHICEINSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[N@H+]1CC[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000274724164 269046638 /nfs/dbraw/zinc/04/66/38/269046638.db2.gz FTRPBCGGDOIZRK-UXHICEINSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[NH+]1CC[C@@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000274724164 269046640 /nfs/dbraw/zinc/04/66/40/269046640.db2.gz FTRPBCGGDOIZRK-UXHICEINSA-N 2 2 331.504 2.207 10 0 EEAELP COCC[NH+]1CC[C@@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000274724164 269046642 /nfs/dbraw/zinc/04/66/42/269046642.db2.gz FTRPBCGGDOIZRK-UXHICEINSA-N 2 2 331.504 2.207 10 0 EEAELP COCCN1CC[C@@H]([NH2+]C[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000274724164 269046644 /nfs/dbraw/zinc/04/66/44/269046644.db2.gz FTRPBCGGDOIZRK-UXHICEINSA-N 2 2 331.504 2.207 10 0 EEAELP COCCN1CC[C@@H]([NH2+]C[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000274724164 269046646 /nfs/dbraw/zinc/04/66/46/269046646.db2.gz FTRPBCGGDOIZRK-UXHICEINSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@@H+]1C ZINC000278309614 269223019 /nfs/dbraw/zinc/22/30/19/269223019.db2.gz BERQDWHZQBOMHM-GOEBONIOSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000278309614 269223020 /nfs/dbraw/zinc/22/30/20/269223020.db2.gz BERQDWHZQBOMHM-GOEBONIOSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000278309614 269223021 /nfs/dbraw/zinc/22/30/21/269223021.db2.gz BERQDWHZQBOMHM-GOEBONIOSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)c2ccc3c(c2)OCCO3)CC[NH+]1C ZINC000278309614 269223022 /nfs/dbraw/zinc/22/30/22/269223022.db2.gz BERQDWHZQBOMHM-GOEBONIOSA-N 2 2 332.444 2.445 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278144089 274336995 /nfs/dbraw/zinc/33/69/95/274336995.db2.gz AVDWEDZRIUYTPR-ZIAGYGMSSA-N 2 2 343.479 2.036 10 0 EEAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2nc3c(cnn3C)c(N)[nH+]2)C1 ZINC000278144089 274336998 /nfs/dbraw/zinc/33/69/98/274336998.db2.gz AVDWEDZRIUYTPR-ZIAGYGMSSA-N 2 2 343.479 2.036 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)C2 ZINC000129514308 275761313 /nfs/dbraw/zinc/76/13/13/275761313.db2.gz NABYCSYZLAGSNZ-KBPBESRZSA-N 2 2 333.480 2.094 10 0 EEAELP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332675084 276120254 /nfs/dbraw/zinc/12/02/54/276120254.db2.gz BATXTJJIDNMWQC-HOTGVXAUSA-N 2 2 333.480 2.195 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000348701222 276213878 /nfs/dbraw/zinc/21/38/78/276213878.db2.gz PMBZDDOBQOTTQB-GXTWGEPZSA-N 2 2 336.505 2.232 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000348701222 276213879 /nfs/dbraw/zinc/21/38/79/276213879.db2.gz PMBZDDOBQOTTQB-GXTWGEPZSA-N 2 2 336.505 2.232 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000348701222 276213880 /nfs/dbraw/zinc/21/38/80/276213880.db2.gz PMBZDDOBQOTTQB-GXTWGEPZSA-N 2 2 336.505 2.232 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@@H](C)C1 ZINC000348701222 276213881 /nfs/dbraw/zinc/21/38/81/276213881.db2.gz PMBZDDOBQOTTQB-GXTWGEPZSA-N 2 2 336.505 2.232 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133189870 280180169 /nfs/dbraw/zinc/18/01/69/280180169.db2.gz BBMVHONHKVCTNG-BRWVUGGUSA-N 2 2 339.430 2.412 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133189870 280180170 /nfs/dbraw/zinc/18/01/70/280180170.db2.gz BBMVHONHKVCTNG-BRWVUGGUSA-N 2 2 339.430 2.412 10 0 EEAELP c1nc(N2CCCC[C@H]([NH+]3CCCC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000302921092 311558533 /nfs/dbraw/zinc/55/85/33/311558533.db2.gz ZUMGGIRSTLOZIC-INIZCTEOSA-N 2 2 347.532 2.485 10 0 EEAELP CC(C)(C)c1cn2c([nH+]1)CC[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C2 ZINC000332884764 312065418 /nfs/dbraw/zinc/06/54/18/312065418.db2.gz VJTQVTYHLDVVOL-CRAIPNDOSA-N 2 2 344.503 2.486 10 0 EEAELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000333176753 312106579 /nfs/dbraw/zinc/10/65/79/312106579.db2.gz RBSGOCLWXCKEEO-KGLIPLIRSA-N 2 2 349.504 2.487 10 0 EEAELP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccn1 ZINC000346991182 312273786 /nfs/dbraw/zinc/27/37/86/312273786.db2.gz YNUWDWZRKOFVLT-WMZOPIPTSA-N 2 2 332.492 2.455 10 0 EEAELP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414831121 313099287 /nfs/dbraw/zinc/09/92/87/313099287.db2.gz MRHKUWUDGGWJJU-RDTXWAMCSA-N 2 2 337.423 2.351 10 0 EEAELP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000417835517 313612571 /nfs/dbraw/zinc/61/25/71/313612571.db2.gz GHKWBTWKLNBERD-HUUCEWRRSA-N 2 2 329.448 2.051 10 0 EEAELP CCOc1cc(C[NH2+]C2CC[NH+](CCOC)CC2)c(F)cc1OC ZINC000527646557 317235950 /nfs/dbraw/zinc/23/59/50/317235950.db2.gz VSJMVESVALLZFE-UHFFFAOYSA-N 2 2 340.439 2.433 10 0 EEAELP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)c(F)cc1OC ZINC000527651393 317236266 /nfs/dbraw/zinc/23/62/66/317236266.db2.gz AUJGHGMNHLQAEJ-HNNXBMFYSA-N 2 2 340.439 2.433 10 0 EEAELP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2CCOC)c(F)cc1OC ZINC000527651393 317236269 /nfs/dbraw/zinc/23/62/69/317236269.db2.gz AUJGHGMNHLQAEJ-HNNXBMFYSA-N 2 2 340.439 2.433 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000527775376 317261094 /nfs/dbraw/zinc/26/10/94/317261094.db2.gz SUHKGMODUTUAJE-SZVBFZGTSA-N 2 2 329.488 2.484 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000527775376 317261097 /nfs/dbraw/zinc/26/10/97/317261097.db2.gz SUHKGMODUTUAJE-SZVBFZGTSA-N 2 2 329.488 2.484 10 0 EEAELP COc1ccccc1[C@H](C)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000543087649 318150913 /nfs/dbraw/zinc/15/09/13/318150913.db2.gz WFJGBXYFQMGZMH-HOCLYGCPSA-N 2 2 342.443 2.271 10 0 EEAELP Cc1nc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cs1 ZINC000564071550 319065132 /nfs/dbraw/zinc/06/51/32/319065132.db2.gz ZNBOATIJDLLAIL-WCQYABFASA-N 2 2 333.461 2.027 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1=O ZINC000565217483 319163260 /nfs/dbraw/zinc/16/32/60/319163260.db2.gz RXDZXTSBYNWMOT-QGZVFWFLSA-N 2 2 337.427 2.182 10 0 EEAELP C[C@H](c1cccc(NC(=O)C[NH+]2CC(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000565784899 319214548 /nfs/dbraw/zinc/21/45/48/319214548.db2.gz WLXQRLSPWKPVQA-OAHLLOKOSA-N 2 2 331.460 2.360 10 0 EEAELP Clc1ccc2nc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000566089233 319242862 /nfs/dbraw/zinc/24/28/62/319242862.db2.gz IVWYHIGXAIHWNT-ARFHVFGLSA-N 2 2 334.851 2.234 10 0 EEAELP CC[C@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000566294718 319271149 /nfs/dbraw/zinc/27/11/49/319271149.db2.gz JLBCRMRBKADRLH-JCGIZDLHSA-N 2 2 332.492 2.186 10 0 EEAELP CC[C@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000566294718 319271150 /nfs/dbraw/zinc/27/11/50/319271150.db2.gz JLBCRMRBKADRLH-JCGIZDLHSA-N 2 2 332.492 2.186 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569794735 319608251 /nfs/dbraw/zinc/60/82/51/319608251.db2.gz DBDUXVGIDXGYMC-INMHGKMJSA-N 2 2 345.491 2.106 10 0 EEAELP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3ccc(C)cn23)[C@@H]1n1cccn1 ZINC000570062731 319633665 /nfs/dbraw/zinc/63/36/65/319633665.db2.gz WKYDKZSBCFLDMW-NUJGCVRESA-N 2 2 325.416 2.348 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000575136057 320090458 /nfs/dbraw/zinc/09/04/58/320090458.db2.gz SSXYXDNZCKSOJD-NVGVWMPQSA-N 2 2 348.397 2.428 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000575136057 320090461 /nfs/dbraw/zinc/09/04/61/320090461.db2.gz SSXYXDNZCKSOJD-NVGVWMPQSA-N 2 2 348.397 2.428 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1 ZINC000575845825 320118537 /nfs/dbraw/zinc/11/85/37/320118537.db2.gz NXEZJBXJZCSOMC-MRXNPFEDSA-N 2 2 344.434 2.130 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000575845825 320118538 /nfs/dbraw/zinc/11/85/38/320118538.db2.gz NXEZJBXJZCSOMC-MRXNPFEDSA-N 2 2 344.434 2.130 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000576432606 320170900 /nfs/dbraw/zinc/17/09/00/320170900.db2.gz GDKQYFQXZWVNKX-INIZCTEOSA-N 2 2 337.431 2.059 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000576432606 320170903 /nfs/dbraw/zinc/17/09/03/320170903.db2.gz GDKQYFQXZWVNKX-INIZCTEOSA-N 2 2 337.431 2.059 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000578171668 320298627 /nfs/dbraw/zinc/29/86/27/320298627.db2.gz SATJCRPSYQAPFU-BBWFWOEESA-N 2 2 339.443 2.045 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC3(CF)CCOCC3)c2cc1C ZINC000580829219 324136264 /nfs/dbraw/zinc/13/62/64/324136264.db2.gz DRGKFCJPHYLWAA-MRXNPFEDSA-N 2 2 349.450 2.370 10 0 EEAELP CC[NH+](CC)CC[C@H](CO)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624179162 450736337 /nfs/dbraw/zinc/73/63/37/450736337.db2.gz OVTKHRHQORAEBV-CQSZACIVSA-N 2 2 327.432 2.387 10 0 EEAELP C[NH+]1CCC(CNC(=O)C2(CCF)CC2)([NH+]2CCCCC2)CC1 ZINC000354636088 465067165 /nfs/dbraw/zinc/06/71/65/465067165.db2.gz ATVZHXOORZKRGF-UHFFFAOYSA-N 2 2 325.472 2.193 10 0 EEAELP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000351626785 465258210 /nfs/dbraw/zinc/25/82/10/465258210.db2.gz HEDWBICHCOLSNA-AWEZNQCLSA-N 2 2 333.480 2.019 10 0 EEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000113602932 462605036 /nfs/dbraw/zinc/60/50/36/462605036.db2.gz LDSYJYQFUCRLDD-NVXWUHKLSA-N 2 2 339.443 2.250 10 0 EEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000113602932 462605042 /nfs/dbraw/zinc/60/50/42/462605042.db2.gz LDSYJYQFUCRLDD-NVXWUHKLSA-N 2 2 339.443 2.250 10 0 EEAELP COCCCC(=O)N[C@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000064420636 462702366 /nfs/dbraw/zinc/70/23/66/462702366.db2.gz BIWCHFIBNKKAEG-LJQANCHMSA-N 2 2 347.503 2.297 10 0 EEAELP COCCCC(=O)N[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000064420636 462702371 /nfs/dbraw/zinc/70/23/71/462702371.db2.gz BIWCHFIBNKKAEG-LJQANCHMSA-N 2 2 347.503 2.297 10 0 EEAELP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003677 462764477 /nfs/dbraw/zinc/76/44/77/462764477.db2.gz WNVMKILIKCFFKT-SFHVURJKSA-N 2 2 340.471 2.299 10 0 EEAELP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003677 462764486 /nfs/dbraw/zinc/76/44/86/462764486.db2.gz WNVMKILIKCFFKT-SFHVURJKSA-N 2 2 340.471 2.299 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000065594047 462806033 /nfs/dbraw/zinc/80/60/33/462806033.db2.gz JQDVOYMDLILFBM-HXUWFJFHSA-N 2 2 342.487 2.088 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000065594047 462806039 /nfs/dbraw/zinc/80/60/39/462806039.db2.gz JQDVOYMDLILFBM-HXUWFJFHSA-N 2 2 342.487 2.088 10 0 EEAELP C[C@@H]1CN(c2ccc(CNc3cc[nH+]c(N(C)C)n3)c[nH+]2)C[C@@H](C)O1 ZINC000077488833 462994265 /nfs/dbraw/zinc/99/42/65/462994265.db2.gz OXHVOZHXBRAJJQ-ZIAGYGMSSA-N 2 2 342.447 2.163 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)CCO1 ZINC000135000803 463105799 /nfs/dbraw/zinc/10/57/99/463105799.db2.gz FRJOMTPJBWBMQS-KRWDZBQOSA-N 2 2 345.487 2.225 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)N(C)c3ccccc3)CC2)CCO1 ZINC000135000803 463105801 /nfs/dbraw/zinc/10/58/01/463105801.db2.gz FRJOMTPJBWBMQS-KRWDZBQOSA-N 2 2 345.487 2.225 10 0 EEAELP COc1cccc(NC(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000079105493 463189131 /nfs/dbraw/zinc/18/91/31/463189131.db2.gz GDHWPQJUUYXKCM-KRWDZBQOSA-N 2 2 327.384 2.182 10 0 EEAELP COc1cccc(NC(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000079105493 463189138 /nfs/dbraw/zinc/18/91/38/463189138.db2.gz GDHWPQJUUYXKCM-KRWDZBQOSA-N 2 2 327.384 2.182 10 0 EEAELP COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000123281094 463330184 /nfs/dbraw/zinc/33/01/84/463330184.db2.gz MKCQBIQHVGXEJM-UKRRQHHQSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000123281094 463330188 /nfs/dbraw/zinc/33/01/88/463330188.db2.gz MKCQBIQHVGXEJM-UKRRQHHQSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123281094 463330190 /nfs/dbraw/zinc/33/01/90/463330190.db2.gz MKCQBIQHVGXEJM-UKRRQHHQSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000123281094 463330191 /nfs/dbraw/zinc/33/01/91/463330191.db2.gz MKCQBIQHVGXEJM-UKRRQHHQSA-N 2 2 335.448 2.057 10 0 EEAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(F)(F)F ZINC000080665005 463343661 /nfs/dbraw/zinc/34/36/61/463343661.db2.gz DXBDWLCMXKRTLS-ZDUSSCGKSA-N 2 2 335.414 2.251 10 0 EEAELP CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000097495076 463358692 /nfs/dbraw/zinc/35/86/92/463358692.db2.gz RFCUOCNYJHZPIA-IRXDYDNUSA-N 2 2 343.431 2.306 10 0 EEAELP CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1cccc(-c2c[nH]c[nH+]2)c1 ZINC000097495076 463358695 /nfs/dbraw/zinc/35/86/95/463358695.db2.gz RFCUOCNYJHZPIA-IRXDYDNUSA-N 2 2 343.431 2.306 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCCOC2CCCCC2)CC[N@@H+]1C ZINC000123771202 463367694 /nfs/dbraw/zinc/36/76/94/463367694.db2.gz UBLXFSVKYCSXRB-SJORKVTESA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)NCCCOC2CCCCC2)CC[N@H+]1C ZINC000123771202 463367697 /nfs/dbraw/zinc/36/76/97/463367697.db2.gz UBLXFSVKYCSXRB-SJORKVTESA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)NCCCOC2CCCCC2)CC[NH+]1C ZINC000123771202 463367700 /nfs/dbraw/zinc/36/77/00/463367700.db2.gz UBLXFSVKYCSXRB-SJORKVTESA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)NCCCOC2CCCCC2)CC[NH+]1C ZINC000123771202 463367702 /nfs/dbraw/zinc/36/77/02/463367702.db2.gz UBLXFSVKYCSXRB-SJORKVTESA-N 2 2 339.524 2.257 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150838310 463437892 /nfs/dbraw/zinc/43/78/92/463437892.db2.gz NLOYDBINXLLZEZ-IBGZPJMESA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150838310 463437894 /nfs/dbraw/zinc/43/78/94/463437894.db2.gz NLOYDBINXLLZEZ-IBGZPJMESA-N 2 2 329.488 2.453 10 0 EEAELP CC(=O)Nc1nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000105875481 463484671 /nfs/dbraw/zinc/48/46/71/463484671.db2.gz CSDORGPOSYMYHC-UHFFFAOYSA-N 2 2 333.461 2.290 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000193812170 463743578 /nfs/dbraw/zinc/74/35/78/463743578.db2.gz FKXAITNNAUGFLS-KRWDZBQOSA-N 2 2 326.868 2.244 10 0 EEAELP COC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000193990625 463768957 /nfs/dbraw/zinc/76/89/57/463768957.db2.gz DWXBZNFTSKZTKP-DLBZAZTESA-N 2 2 326.868 2.464 10 0 EEAELP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)C1CC1 ZINC000185222429 463781454 /nfs/dbraw/zinc/78/14/54/463781454.db2.gz UOVGIXRPTKCHMV-SFHVURJKSA-N 2 2 330.476 2.030 10 0 EEAELP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)C1CC1 ZINC000185222429 463781461 /nfs/dbraw/zinc/78/14/61/463781461.db2.gz UOVGIXRPTKCHMV-SFHVURJKSA-N 2 2 330.476 2.030 10 0 EEAELP Cn1c[nH+]c(CC[NH2+][C@H](C(=O)N2CCCCC2)c2ccccc2)c1 ZINC000579572877 468378243 /nfs/dbraw/zinc/37/82/43/468378243.db2.gz YXTBWBNUAGNYMK-SFHVURJKSA-N 2 2 326.444 2.306 10 0 EEAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000261877320 463886278 /nfs/dbraw/zinc/88/62/78/463886278.db2.gz DWHLDMSYJLAXMS-NJYVYQBISA-N 3 2 343.515 2.398 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C ZINC000173648782 464301564 /nfs/dbraw/zinc/30/15/64/464301564.db2.gz CJDPRJHQVVOJHR-HOCLYGCPSA-N 2 2 329.448 2.001 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C ZINC000173648782 464301570 /nfs/dbraw/zinc/30/15/70/464301570.db2.gz CJDPRJHQVVOJHR-HOCLYGCPSA-N 2 2 329.448 2.001 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@@H+]1C ZINC000173676016 464307157 /nfs/dbraw/zinc/30/71/57/464307157.db2.gz BWMWIACICUXHBI-WBVHZDCISA-N 2 2 345.491 2.306 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC[N@H+]1C ZINC000173676016 464307161 /nfs/dbraw/zinc/30/71/61/464307161.db2.gz BWMWIACICUXHBI-WBVHZDCISA-N 2 2 345.491 2.306 10 0 EEAELP CCn1cc([C@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000180578168 464340926 /nfs/dbraw/zinc/34/09/26/464340926.db2.gz SLTCZKYKFJDXQN-ZFWWWQNUSA-N 2 2 329.452 2.054 10 0 EEAELP CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180664666 464364791 /nfs/dbraw/zinc/36/47/91/464364791.db2.gz HGCDQFBHUACUPK-KGLIPLIRSA-N 2 2 343.431 2.146 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000174232750 464380295 /nfs/dbraw/zinc/38/02/95/464380295.db2.gz JGUGILVGWMWFIX-KRWDZBQOSA-N 2 2 345.491 2.142 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000174232750 464380301 /nfs/dbraw/zinc/38/03/01/464380301.db2.gz JGUGILVGWMWFIX-KRWDZBQOSA-N 2 2 345.491 2.142 10 0 EEAELP CC[N@H+](CC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000189406697 464496798 /nfs/dbraw/zinc/49/67/98/464496798.db2.gz PSUSBHMMASWFMK-UHFFFAOYSA-N 2 2 335.879 2.299 10 0 EEAELP CC[N@@H+](CC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000189406697 464496800 /nfs/dbraw/zinc/49/68/00/464496800.db2.gz PSUSBHMMASWFMK-UHFFFAOYSA-N 2 2 335.879 2.299 10 0 EEAELP CC[NH+](CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000189406697 464496803 /nfs/dbraw/zinc/49/68/03/464496803.db2.gz PSUSBHMMASWFMK-UHFFFAOYSA-N 2 2 335.879 2.299 10 0 EEAELP CC[NH+](CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)C1CC1 ZINC000189406697 464496807 /nfs/dbraw/zinc/49/68/07/464496807.db2.gz PSUSBHMMASWFMK-UHFFFAOYSA-N 2 2 335.879 2.299 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272292726 464552371 /nfs/dbraw/zinc/55/23/71/464552371.db2.gz VKSFWOKEUZCUQM-LSDHHAIUSA-N 2 2 327.432 2.118 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272292726 464552375 /nfs/dbraw/zinc/55/23/75/464552375.db2.gz VKSFWOKEUZCUQM-LSDHHAIUSA-N 2 2 327.432 2.118 10 0 EEAELP NC(=O)c1c[nH+]ccc1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000189848623 464555180 /nfs/dbraw/zinc/55/51/80/464555180.db2.gz MIAXKLRHYMPWGZ-UHFFFAOYSA-N 2 2 330.819 2.304 10 0 EEAELP NC(=O)c1c[nH+]ccc1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000189848623 464555184 /nfs/dbraw/zinc/55/51/84/464555184.db2.gz MIAXKLRHYMPWGZ-UHFFFAOYSA-N 2 2 330.819 2.304 10 0 EEAELP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733540 464616276 /nfs/dbraw/zinc/61/62/76/464616276.db2.gz GIYLGQHIDIAQFZ-RBSFLKMASA-N 2 2 347.425 2.203 10 0 EEAELP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733540 464616283 /nfs/dbraw/zinc/61/62/83/464616283.db2.gz GIYLGQHIDIAQFZ-RBSFLKMASA-N 2 2 347.425 2.203 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733540 464616292 /nfs/dbraw/zinc/61/62/92/464616292.db2.gz GIYLGQHIDIAQFZ-RBSFLKMASA-N 2 2 347.425 2.203 10 0 EEAELP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCC[C@@H](C(F)(F)F)C3)CC[C@H]21 ZINC000246733540 464616296 /nfs/dbraw/zinc/61/62/96/464616296.db2.gz GIYLGQHIDIAQFZ-RBSFLKMASA-N 2 2 347.425 2.203 10 0 EEAELP Cc1cn2cc(NC(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)ccc2[nH+]1 ZINC000265718829 464658955 /nfs/dbraw/zinc/65/89/55/464658955.db2.gz NZJQTZSDZPHOSP-HUUCEWRRSA-N 2 2 345.447 2.264 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000265789512 464687600 /nfs/dbraw/zinc/68/76/00/464687600.db2.gz GRZIZLMMRSDUIC-HNNXBMFYSA-N 2 2 343.431 2.178 10 0 EEAELP C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000265789512 464687607 /nfs/dbraw/zinc/68/76/07/464687607.db2.gz GRZIZLMMRSDUIC-HNNXBMFYSA-N 2 2 343.431 2.178 10 0 EEAELP CCc1ccc(C[NH+]2CCN(CC[N@@H+]3CCO[C@H](C)C3)CC2)s1 ZINC000192744279 464989238 /nfs/dbraw/zinc/98/92/38/464989238.db2.gz YGMFVMPPXZHDPW-MRXNPFEDSA-N 2 2 337.533 2.149 10 0 EEAELP CCc1ccc(C[NH+]2CCN(CC[N@H+]3CCO[C@H](C)C3)CC2)s1 ZINC000192744279 464989243 /nfs/dbraw/zinc/98/92/43/464989243.db2.gz YGMFVMPPXZHDPW-MRXNPFEDSA-N 2 2 337.533 2.149 10 0 EEAELP Cc1cncc(C[N@H+](C)C[C@@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000253428393 465012836 /nfs/dbraw/zinc/01/28/36/465012836.db2.gz PWTGBJQEVWGMBK-OAQYLSRUSA-N 2 2 339.483 2.284 10 0 EEAELP Cc1cncc(C[N@@H+](C)C[C@@H](O)C[NH+]2CCc3ccccc3CC2)c1 ZINC000253428393 465012841 /nfs/dbraw/zinc/01/28/41/465012841.db2.gz PWTGBJQEVWGMBK-OAQYLSRUSA-N 2 2 339.483 2.284 10 0 EEAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC000343704629 465544946 /nfs/dbraw/zinc/54/49/46/465544946.db2.gz DRVAXRUQLOHMFX-LJQANCHMSA-N 2 2 345.443 2.160 10 0 EEAELP COC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)C1CC1 ZINC000348360032 465566833 /nfs/dbraw/zinc/56/68/33/465566833.db2.gz BXIYSCZFYJDKBU-YVEFUNNKSA-N 2 2 328.416 2.418 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000580022843 468450337 /nfs/dbraw/zinc/45/03/37/468450337.db2.gz YTNBAMNWVRRZJI-RBUKOAKNSA-N 2 2 338.455 2.396 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000580022843 468450339 /nfs/dbraw/zinc/45/03/39/468450339.db2.gz YTNBAMNWVRRZJI-RBUKOAKNSA-N 2 2 338.455 2.396 10 0 EEAELP COc1ccc2c(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000366479917 465754066 /nfs/dbraw/zinc/75/40/66/465754066.db2.gz HWENXWPBDVJKPF-LJQANCHMSA-N 2 2 328.412 2.329 10 0 EEAELP COc1ccc2c(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc(=O)oc2c1 ZINC000366479917 465754069 /nfs/dbraw/zinc/75/40/69/465754069.db2.gz HWENXWPBDVJKPF-LJQANCHMSA-N 2 2 328.412 2.329 10 0 EEAELP COc1ccc2c(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1 ZINC000366479917 465754074 /nfs/dbraw/zinc/75/40/74/465754074.db2.gz HWENXWPBDVJKPF-LJQANCHMSA-N 2 2 328.412 2.329 10 0 EEAELP COc1ccc2c(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)oc2c1 ZINC000366479917 465754082 /nfs/dbraw/zinc/75/40/82/465754082.db2.gz HWENXWPBDVJKPF-LJQANCHMSA-N 2 2 328.412 2.329 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000353276984 465765848 /nfs/dbraw/zinc/76/58/48/465765848.db2.gz NWYFDBJDECYCBB-SFHVURJKSA-N 2 2 327.476 2.483 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000353276984 465765853 /nfs/dbraw/zinc/76/58/53/465765853.db2.gz NWYFDBJDECYCBB-SFHVURJKSA-N 2 2 327.476 2.483 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000353432752 465878118 /nfs/dbraw/zinc/87/81/18/465878118.db2.gz CKSNGTUJIVAVSP-PCCBWWKXSA-N 3 2 343.515 2.481 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)COCc2cccs2)CC1 ZINC000340595425 466195323 /nfs/dbraw/zinc/19/53/23/466195323.db2.gz KRKFSFPPRWDHCP-INIZCTEOSA-N 2 2 347.484 2.151 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000367620962 466454069 /nfs/dbraw/zinc/45/40/69/466454069.db2.gz ZFYRYHCICNYDAA-FGTMMUONSA-N 2 2 336.501 2.194 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2CS(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000367620962 466454073 /nfs/dbraw/zinc/45/40/73/466454073.db2.gz ZFYRYHCICNYDAA-FGTMMUONSA-N 2 2 336.501 2.194 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000358233414 466560788 /nfs/dbraw/zinc/56/07/88/466560788.db2.gz DPAHBQUCVMWKIZ-UEKVPHQBSA-N 2 2 325.815 2.124 10 0 EEAELP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000324583662 466648004 /nfs/dbraw/zinc/64/80/04/466648004.db2.gz BNSJTNIAGIHPFG-AEFFLSMTSA-N 2 2 333.451 2.214 10 0 EEAELP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000324583662 466648006 /nfs/dbraw/zinc/64/80/06/466648006.db2.gz BNSJTNIAGIHPFG-AEFFLSMTSA-N 2 2 333.451 2.214 10 0 EEAELP c1ccc(CN2CCC[C@@H]2C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422739778 466680746 /nfs/dbraw/zinc/68/07/46/466680746.db2.gz LUROGLXAIOGSIC-HSALFYBXSA-N 2 2 329.488 2.008 10 0 EEAELP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370236052 466806743 /nfs/dbraw/zinc/80/67/43/466806743.db2.gz OGWULPMJLDMHTI-UHFFFAOYSA-N 2 2 346.475 2.151 10 0 EEAELP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370236052 466806754 /nfs/dbraw/zinc/80/67/54/466806754.db2.gz OGWULPMJLDMHTI-UHFFFAOYSA-N 2 2 346.475 2.151 10 0 EEAELP Cn1c2ccc(C[NH2+]Cc3c[nH+]c4n3CCCC4)cc2sc1=O ZINC000370286425 466824503 /nfs/dbraw/zinc/82/45/03/466824503.db2.gz VQRYMMJJIRRWOI-UHFFFAOYSA-N 2 2 328.441 2.423 10 0 EEAELP [NH3+][C@@H](CNC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC000418448515 467112200 /nfs/dbraw/zinc/11/22/00/467112200.db2.gz JGIOMCCOMUZLFE-INIZCTEOSA-N 2 2 327.432 2.273 10 0 EEAELP CC(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428224192 467214358 /nfs/dbraw/zinc/21/43/58/467214358.db2.gz CLDCMBUTDOZZGZ-SJORKVTESA-N 2 2 330.476 2.097 10 0 EEAELP CC(C)[C@H]1CC[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428224192 467214362 /nfs/dbraw/zinc/21/43/62/467214362.db2.gz CLDCMBUTDOZZGZ-SJORKVTESA-N 2 2 330.476 2.097 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000378165863 467217464 /nfs/dbraw/zinc/21/74/64/467217464.db2.gz KVNDBJLPPMXMIV-WLRLJWMZSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000378165863 467217467 /nfs/dbraw/zinc/21/74/67/467217467.db2.gz KVNDBJLPPMXMIV-WLRLJWMZSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000378165863 467217470 /nfs/dbraw/zinc/21/74/70/467217470.db2.gz KVNDBJLPPMXMIV-WLRLJWMZSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000378165863 467217473 /nfs/dbraw/zinc/21/74/73/467217473.db2.gz KVNDBJLPPMXMIV-WLRLJWMZSA-N 3 2 343.515 2.350 10 0 EEAELP COCC(C)(C)[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000429237082 467314993 /nfs/dbraw/zinc/31/49/93/467314993.db2.gz VOFAXQYOTADMMV-QGZVFWFLSA-N 2 2 347.503 2.249 10 0 EEAELP COCC(C)(C)[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000429237082 467314996 /nfs/dbraw/zinc/31/49/96/467314996.db2.gz VOFAXQYOTADMMV-QGZVFWFLSA-N 2 2 347.503 2.249 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000415164514 467506757 /nfs/dbraw/zinc/50/67/57/467506757.db2.gz YOARZLFEMQBCBN-CABCVRRESA-N 2 2 343.431 2.082 10 0 EEAELP CO[C@@H](CC(C)C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000415234259 467524705 /nfs/dbraw/zinc/52/47/05/467524705.db2.gz XPOCNLREAGEZRK-KRWDZBQOSA-N 2 2 339.524 2.114 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000454368660 467588419 /nfs/dbraw/zinc/58/84/19/467588419.db2.gz PBQDOAWDGDPTSV-GJZGRUSLSA-N 2 2 335.496 2.459 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449243560 467625392 /nfs/dbraw/zinc/62/53/92/467625392.db2.gz LRPHLNWJGJUWKH-MRXNPFEDSA-N 2 2 339.411 2.245 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)C1 ZINC000449243560 467625393 /nfs/dbraw/zinc/62/53/93/467625393.db2.gz LRPHLNWJGJUWKH-MRXNPFEDSA-N 2 2 339.411 2.245 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000449391075 467636490 /nfs/dbraw/zinc/63/64/90/467636490.db2.gz HPOVBTWHWGQPDI-WOJBJXKFSA-N 2 2 331.504 2.087 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000449391075 467636491 /nfs/dbraw/zinc/63/64/91/467636491.db2.gz HPOVBTWHWGQPDI-WOJBJXKFSA-N 2 2 331.504 2.087 10 0 EEAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449395067 467636753 /nfs/dbraw/zinc/63/67/53/467636753.db2.gz PHNAHZOQAFJOKP-SJLPKXTDSA-N 2 2 347.503 2.403 10 0 EEAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449395067 467636755 /nfs/dbraw/zinc/63/67/55/467636755.db2.gz PHNAHZOQAFJOKP-SJLPKXTDSA-N 2 2 347.503 2.403 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC(C(C)(C)C)C3)CC2)CC1 ZINC000458107507 467769795 /nfs/dbraw/zinc/76/97/95/467769795.db2.gz DKDUNMAJYLIKIJ-UHFFFAOYSA-N 2 2 336.524 2.233 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000515003223 467967912 /nfs/dbraw/zinc/96/79/12/467967912.db2.gz RVNJMRKWSIVSPX-CQSZACIVSA-N 2 2 342.447 2.072 10 0 EEAELP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CS1 ZINC000515272426 467982918 /nfs/dbraw/zinc/98/29/18/467982918.db2.gz ZHEUFDHLOQNXCM-ZNMIVQPWSA-N 2 2 336.505 2.031 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519776784 468209115 /nfs/dbraw/zinc/20/91/15/468209115.db2.gz PPXSDNCGSCZXTJ-FXAWDEMLSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519776784 468209122 /nfs/dbraw/zinc/20/91/22/468209122.db2.gz PPXSDNCGSCZXTJ-FXAWDEMLSA-N 2 2 329.488 2.118 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1c[nH+]c2c1CCCC2)CCC(F)(F)F ZINC000578593285 468220904 /nfs/dbraw/zinc/22/09/04/468220904.db2.gz ZTYZHZVGDIZXCS-UHFFFAOYSA-N 2 2 346.397 2.152 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1c[nH+]c2c1CCCC2)CCC(F)(F)F ZINC000578593285 468220908 /nfs/dbraw/zinc/22/09/08/468220908.db2.gz ZTYZHZVGDIZXCS-UHFFFAOYSA-N 2 2 346.397 2.152 10 0 EEAELP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)C1 ZINC000519855330 468222766 /nfs/dbraw/zinc/22/27/66/468222766.db2.gz FDSIXOYVTASLCY-BHYGNILZSA-N 2 2 330.476 2.493 10 0 EEAELP CSCc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000597989634 468733095 /nfs/dbraw/zinc/73/30/95/468733095.db2.gz HDMOAIFTKGNLLI-UHFFFAOYSA-N 2 2 341.496 2.302 10 0 EEAELP CSCc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000597989634 468733099 /nfs/dbraw/zinc/73/30/99/468733099.db2.gz HDMOAIFTKGNLLI-UHFFFAOYSA-N 2 2 341.496 2.302 10 0 EEAELP CC(C)[C@@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c2ccccc21 ZINC000561199448 468875213 /nfs/dbraw/zinc/87/52/13/468875213.db2.gz FKIGSOSHCRMJRE-FCEWJHQRSA-N 2 2 344.503 2.198 10 0 EEAELP CC(C)[C@@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])c2ccccc21 ZINC000561199448 468875221 /nfs/dbraw/zinc/87/52/21/468875221.db2.gz FKIGSOSHCRMJRE-FCEWJHQRSA-N 2 2 344.503 2.198 10 0 EEAELP C[N@@H+]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCc5c[nH+]cn5C4)cc3c2C1 ZINC000614701837 469021483 /nfs/dbraw/zinc/02/14/83/469021483.db2.gz BFRJFTNEHJSIDG-AWEZNQCLSA-N 2 2 349.438 2.097 10 0 EEAELP C[N@H+]1CCc2[nH]c3ccc(C(=O)N[C@H]4CCc5c[nH+]cn5C4)cc3c2C1 ZINC000614701837 469021490 /nfs/dbraw/zinc/02/14/90/469021490.db2.gz BFRJFTNEHJSIDG-AWEZNQCLSA-N 2 2 349.438 2.097 10 0 EEAELP COC(=O)c1cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000599360285 469225913 /nfs/dbraw/zinc/22/59/13/469225913.db2.gz VQDSEPRRDQYAHX-KBPBESRZSA-N 2 2 332.448 2.006 10 0 EEAELP COC(=O)c1cnc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000599360285 469225918 /nfs/dbraw/zinc/22/59/18/469225918.db2.gz VQDSEPRRDQYAHX-KBPBESRZSA-N 2 2 332.448 2.006 10 0 EEAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000616238792 469404203 /nfs/dbraw/zinc/40/42/03/469404203.db2.gz WMGHWSJTYNHUAF-AWEZNQCLSA-N 2 2 332.473 2.167 10 0 EEAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000616238792 469404211 /nfs/dbraw/zinc/40/42/11/469404211.db2.gz WMGHWSJTYNHUAF-AWEZNQCLSA-N 2 2 332.473 2.167 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1F ZINC000616243552 469405566 /nfs/dbraw/zinc/40/55/66/469405566.db2.gz XXEZODPOJAAHOK-GFCCVEGCSA-N 2 2 346.406 2.233 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1F ZINC000616243552 469405568 /nfs/dbraw/zinc/40/55/68/469405568.db2.gz XXEZODPOJAAHOK-GFCCVEGCSA-N 2 2 346.406 2.233 10 0 EEAELP Cc1cc(NC(=O)NCCOCCC[NH3+])c[nH+]c1N1CCCC[C@H]1C ZINC000625876349 469421560 /nfs/dbraw/zinc/42/15/60/469421560.db2.gz IQRLOIQZYOSBPP-OAHLLOKOSA-N 2 2 349.479 2.256 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583993 469584705 /nfs/dbraw/zinc/58/47/05/469584705.db2.gz IJFPBICOAJLINE-RYGJVYDSSA-N 2 2 327.472 2.286 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583993 469584709 /nfs/dbraw/zinc/58/47/09/469584709.db2.gz IJFPBICOAJLINE-RYGJVYDSSA-N 2 2 327.472 2.286 10 0 EEAELP COc1ccccc1-n1nccc1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629668944 469603093 /nfs/dbraw/zinc/60/30/93/469603093.db2.gz VIYMGXVESDMTPE-KDURUIRLSA-N 2 2 326.444 2.312 10 0 EEAELP COc1ccccc1-n1nccc1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629668944 469603094 /nfs/dbraw/zinc/60/30/94/469603094.db2.gz VIYMGXVESDMTPE-KDURUIRLSA-N 2 2 326.444 2.312 10 0 EEAELP COc1cccc([C@@H]2[C@H](NC(=O)C3([NH+](C)C)CC3)CC[N@@H+]2C2CC2)c1 ZINC000613313541 469685285 /nfs/dbraw/zinc/68/52/85/469685285.db2.gz OGBNMMXXAICXTB-QZTJIDSGSA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@H](NC(=O)C3([NH+](C)C)CC3)CC[N@H+]2C2CC2)c1 ZINC000613313541 469685289 /nfs/dbraw/zinc/68/52/89/469685289.db2.gz OGBNMMXXAICXTB-QZTJIDSGSA-N 2 2 343.471 2.183 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc(Cl)c1O ZINC000617506246 469705999 /nfs/dbraw/zinc/70/59/99/469705999.db2.gz GXLXGNCPKDRVLC-NSHDSACASA-N 2 2 345.846 2.187 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc(Cl)c1O ZINC000617506246 469706003 /nfs/dbraw/zinc/70/60/03/469706003.db2.gz GXLXGNCPKDRVLC-NSHDSACASA-N 2 2 345.846 2.187 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c[nH+]1 ZINC000626931367 469759416 /nfs/dbraw/zinc/75/94/16/469759416.db2.gz CYCINFQIMPHWLY-KDURUIRLSA-N 2 2 345.491 2.069 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000617764857 469796213 /nfs/dbraw/zinc/79/62/13/469796213.db2.gz JIABLMSUGTXVBN-UHFFFAOYSA-N 2 2 336.480 2.336 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000617764857 469796216 /nfs/dbraw/zinc/79/62/16/469796216.db2.gz JIABLMSUGTXVBN-UHFFFAOYSA-N 2 2 336.480 2.336 10 0 EEAELP CCc1nc(C(C)C)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763285 469796458 /nfs/dbraw/zinc/79/64/58/469796458.db2.gz LNQNFLAOWJRTDD-UHFFFAOYSA-N 2 2 334.508 2.381 10 0 EEAELP CCc1nc(C(C)C)ccc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763285 469796464 /nfs/dbraw/zinc/79/64/64/469796464.db2.gz LNQNFLAOWJRTDD-UHFFFAOYSA-N 2 2 334.508 2.381 10 0 EEAELP C[C@H](Oc1ccc(Cl)cc1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764967 469796478 /nfs/dbraw/zinc/79/64/78/469796478.db2.gz OIEGZGLPKSFAHY-AWEZNQCLSA-N 2 2 341.883 2.107 10 0 EEAELP C[C@H](Oc1ccc(Cl)cc1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764967 469796483 /nfs/dbraw/zinc/79/64/83/469796483.db2.gz OIEGZGLPKSFAHY-AWEZNQCLSA-N 2 2 341.883 2.107 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000617768432 469798531 /nfs/dbraw/zinc/79/85/31/469798531.db2.gz CXIUDGJIAIKNHV-UHFFFAOYSA-N 2 2 345.409 2.248 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1cccc(C(F)(F)F)c1 ZINC000617768432 469798534 /nfs/dbraw/zinc/79/85/34/469798534.db2.gz CXIUDGJIAIKNHV-UHFFFAOYSA-N 2 2 345.409 2.248 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627204038 469843886 /nfs/dbraw/zinc/84/38/86/469843886.db2.gz AREBSKNIFMBARE-IJEWVQPXSA-N 2 2 336.505 2.277 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)CC2 ZINC000627216602 469847488 /nfs/dbraw/zinc/84/74/88/469847488.db2.gz XDMVNMCKYANMTC-MRXNPFEDSA-N 2 2 344.459 2.327 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)CC2 ZINC000627216602 469847493 /nfs/dbraw/zinc/84/74/93/469847493.db2.gz XDMVNMCKYANMTC-MRXNPFEDSA-N 2 2 344.459 2.327 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@@H+]1C ZINC000608656993 469854898 /nfs/dbraw/zinc/85/48/98/469854898.db2.gz SCFNYZOQFAAKKL-CRAIPNDOSA-N 2 2 330.476 2.126 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)CC[N@H+]1C ZINC000608656993 469854906 /nfs/dbraw/zinc/85/49/06/469854906.db2.gz SCFNYZOQFAAKKL-CRAIPNDOSA-N 2 2 330.476 2.126 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)c1ccccc1)CC2 ZINC000624880898 470037649 /nfs/dbraw/zinc/03/76/49/470037649.db2.gz KNENVEDVXBDGFJ-MRXNPFEDSA-N 2 2 326.444 2.349 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C(F)F)C2CCCCC2)CC1 ZINC000621406486 470043736 /nfs/dbraw/zinc/04/37/36/470043736.db2.gz YYSNSCYTIWECFT-INIZCTEOSA-N 2 2 331.451 2.391 10 0 EEAELP Cn1nc2c(c1C[NH2+]CC1CC[NH+](CC(F)F)CC1)CCCC2 ZINC000631179989 470087949 /nfs/dbraw/zinc/08/79/49/470087949.db2.gz KXFUHXRWTBLLRF-UHFFFAOYSA-N 2 2 326.435 2.366 10 0 EEAELP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n(CC2CCC2)n1 ZINC000639303629 470461572 /nfs/dbraw/zinc/46/15/72/470461572.db2.gz UKCXZFACLDMZCA-GOSISDBHSA-N 2 2 332.492 2.370 10 0 EEAELP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)n(CC2CCC2)n1 ZINC000639303629 470461580 /nfs/dbraw/zinc/46/15/80/470461580.db2.gz UKCXZFACLDMZCA-GOSISDBHSA-N 2 2 332.492 2.370 10 0 EEAELP C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)c2c[nH]c[nH+]2)[C@H](c2ccccc2)C1 ZINC000649104050 470464419 /nfs/dbraw/zinc/46/44/19/470464419.db2.gz XAAKOYKRZRWCLP-CVEARBPZSA-N 2 2 326.444 2.149 10 0 EEAELP C[N@H+]1C[C@@H](CNC(=O)C(C)(C)c2c[nH]c[nH+]2)[C@H](c2ccccc2)C1 ZINC000649104050 470464422 /nfs/dbraw/zinc/46/44/22/470464422.db2.gz XAAKOYKRZRWCLP-CVEARBPZSA-N 2 2 326.444 2.149 10 0 EEAELP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000645964245 470476485 /nfs/dbraw/zinc/47/64/85/470476485.db2.gz WLWAVAIRIAYCMI-MLGOLLRUSA-N 2 2 337.414 2.043 10 0 EEAELP CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000645964245 470476492 /nfs/dbraw/zinc/47/64/92/470476492.db2.gz WLWAVAIRIAYCMI-MLGOLLRUSA-N 2 2 337.414 2.043 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC[NH2+]1 ZINC000646560121 470677001 /nfs/dbraw/zinc/67/70/01/470677001.db2.gz CBLBUALMHNYXHX-WFASDCNBSA-N 2 2 326.444 2.455 10 0 EEAELP CC(C)(C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@]1(O)CCOC1 ZINC000647340049 470884842 /nfs/dbraw/zinc/88/48/42/470884842.db2.gz DPMIPHXGJOYPSF-ICSRJNTNSA-N 2 2 332.488 2.418 10 0 EEAELP CC(C)(C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@]1(O)CCOC1 ZINC000647340049 470884845 /nfs/dbraw/zinc/88/48/45/470884845.db2.gz DPMIPHXGJOYPSF-ICSRJNTNSA-N 2 2 332.488 2.418 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NCCC[N@@H+](C)CC(C)C)cn21 ZINC000650863352 470986968 /nfs/dbraw/zinc/98/69/68/470986968.db2.gz FNAOXIYTBIPQPT-UHFFFAOYSA-N 2 2 331.464 2.420 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NCCC[N@H+](C)CC(C)C)cn21 ZINC000650863352 470986972 /nfs/dbraw/zinc/98/69/72/470986972.db2.gz FNAOXIYTBIPQPT-UHFFFAOYSA-N 2 2 331.464 2.420 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901188 471012166 /nfs/dbraw/zinc/01/21/66/471012166.db2.gz KONSWUGZZHATSX-NEWSRXKRSA-N 2 2 329.488 2.198 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901188 471012169 /nfs/dbraw/zinc/01/21/69/471012169.db2.gz 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Cn1cc[nH+]c1[C@H](NC(=O)NCCC1(C[NH3+])CC1)c1cccc(F)c1 ZINC000652122048 471239388 /nfs/dbraw/zinc/23/93/88/471239388.db2.gz HIJLBEGVEVJZDM-OAHLLOKOSA-N 2 2 345.422 2.077 10 0 EEAELP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000660380834 471316076 /nfs/dbraw/zinc/31/60/76/471316076.db2.gz DWEXUYGRFWZTOK-CYBMUJFWSA-N 2 2 335.839 2.271 10 0 EEAELP CCC[N@H+]1CC[C@@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000660380834 471316079 /nfs/dbraw/zinc/31/60/79/471316079.db2.gz DWEXUYGRFWZTOK-CYBMUJFWSA-N 2 2 335.839 2.271 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ncns2)CC1 ZINC000660705942 471453358 /nfs/dbraw/zinc/45/33/58/471453358.db2.gz YBPPVGKBOQDBRZ-UHFFFAOYSA-N 2 2 340.456 2.354 10 0 EEAELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N[C@@H]1CCC[NH2+]CC1 ZINC000666676783 471493149 /nfs/dbraw/zinc/49/31/49/471493149.db2.gz ZNZJSUNIAUWCMC-CYBMUJFWSA-N 2 2 337.493 2.393 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857640 471523542 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XQFPTKVPQMFFGJ-CYBMUJFWSA-N 2 2 331.383 2.439 10 0 EEAELP CN(Cc1cn2cccc(F)c2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685457297 486124266 /nfs/dbraw/zinc/12/42/66/486124266.db2.gz AEPWIKYJNBDZIH-KRWDZBQOSA-N 2 2 345.466 2.074 10 0 EEAELP CN(Cc1cn2cccc(F)c2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685457297 486124270 /nfs/dbraw/zinc/12/42/70/486124270.db2.gz AEPWIKYJNBDZIH-KRWDZBQOSA-N 2 2 345.466 2.074 10 0 EEAELP C[N@H+](Cc1cn2cccc(F)c2n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457297 486124274 /nfs/dbraw/zinc/12/42/74/486124274.db2.gz AEPWIKYJNBDZIH-KRWDZBQOSA-N 2 2 345.466 2.074 10 0 EEAELP C[N@@H+](Cc1cn2cccc(F)c2n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457297 486124280 /nfs/dbraw/zinc/12/42/80/486124280.db2.gz AEPWIKYJNBDZIH-KRWDZBQOSA-N 2 2 345.466 2.074 10 0 EEAELP Cc1nc(N2CC[N@@H+](Cc3ccccc3)CC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000676080889 486134951 /nfs/dbraw/zinc/13/49/51/486134951.db2.gz LLBUDBDBKGJMBH-OAHLLOKOSA-N 2 2 340.475 2.347 10 0 EEAELP 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/nfs/dbraw/zinc/98/52/20/535985220.db2.gz NHDOSJFZUGLDII-GOSISDBHSA-N 2 2 327.472 2.350 10 0 EEAELP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765988824 577510766 /nfs/dbraw/zinc/51/07/66/577510766.db2.gz UHLHAONOTFKGRT-DEYYWGMASA-N 2 2 335.467 2.388 10 0 EEAELP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000765988824 577510767 /nfs/dbraw/zinc/51/07/67/577510767.db2.gz UHLHAONOTFKGRT-DEYYWGMASA-N 2 2 335.467 2.388 10 0 EEAELP CC(C)OCC[NH+]1CCC(Nc2[nH+]cnc3[nH]c(Cl)cc32)CC1 ZINC000754675711 577810617 /nfs/dbraw/zinc/81/06/17/577810617.db2.gz QFWSUUFCTGBGDD-UHFFFAOYSA-N 2 2 337.855 2.335 10 0 EEAELP CCN(CC)C(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000750045067 577986059 /nfs/dbraw/zinc/98/60/59/577986059.db2.gz SLVCNJNVTDYNRP-UHFFFAOYSA-N 2 2 341.459 2.348 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000738949861 578032222 /nfs/dbraw/zinc/03/22/22/578032222.db2.gz CUCQPBLMLWVPEK-INIZCTEOSA-N 2 2 343.431 2.099 10 0 EEAELP C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000091840657 675575320 /nfs/dbraw/zinc/57/53/20/675575320.db2.gz MJHJZDXINWMFDW-MOPGFXCFSA-N 2 2 326.440 2.292 10 0 EEAELP C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000091840657 675575322 /nfs/dbraw/zinc/57/53/22/675575322.db2.gz MJHJZDXINWMFDW-MOPGFXCFSA-N 2 2 326.440 2.292 10 0 EEAELP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000091840657 675575327 /nfs/dbraw/zinc/57/53/27/675575327.db2.gz MJHJZDXINWMFDW-MOPGFXCFSA-N 2 2 326.440 2.292 10 0 EEAELP C#CC[NH+]1CCC[C@@H]1COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000091840657 675575328 /nfs/dbraw/zinc/57/53/28/675575328.db2.gz MJHJZDXINWMFDW-MOPGFXCFSA-N 2 2 326.440 2.292 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000152794951 683531878 /nfs/dbraw/zinc/53/18/78/683531878.db2.gz DRZJDUNOCDDFFA-NVXWUHKLSA-N 2 2 344.503 2.355 10 0 EEAELP O=C1CC[C@@H]([NH2+]c2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCN1 ZINC000895648622 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DDGTXCUKVIQNMG-MSOLQXFVSA-N 2 2 333.451 2.201 10 0 EEAELP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000898488140 693345136 /nfs/dbraw/zinc/34/51/36/693345136.db2.gz DDGTXCUKVIQNMG-MSOLQXFVSA-N 2 2 333.451 2.201 10 0 EEAELP O=C(N[C@@H]1CCC[NH+](CCF)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000898488140 693345141 /nfs/dbraw/zinc/34/51/41/693345141.db2.gz DDGTXCUKVIQNMG-MSOLQXFVSA-N 2 2 333.451 2.201 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)Nc1ccc(NC2=[NH+]CCN2)c(Cl)c1 ZINC000899048448 693584638 /nfs/dbraw/zinc/58/46/38/693584638.db2.gz JQHIDYADGFLZJK-UHFFFAOYSA-N 2 2 346.822 2.016 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccc(Cl)cc2)C1 ZINC001485539361 1191828166 /nfs/dbraw/zinc/82/81/66/1191828166.db2.gz OBNXQMDEQCWHSN-ZDUSSCGKSA-N 2 2 332.835 2.173 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2C[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570803 1191839837 /nfs/dbraw/zinc/83/98/37/1191839837.db2.gz GMIJSMVUHKAWHN-HOCLYGCPSA-N 2 2 348.491 2.355 10 0 EEAELP 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ZINC001691409866 1178017893 /nfs/dbraw/zinc/01/78/93/1178017893.db2.gz IWTJIVFWOQZJHK-SJORKVTESA-N 2 2 347.507 2.111 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2CC[C@H]2CN(C)C(=O)CCCC[NH+](C)C)cn1 ZINC001691409866 1178017900 /nfs/dbraw/zinc/01/79/00/1178017900.db2.gz IWTJIVFWOQZJHK-SJORKVTESA-N 2 2 347.507 2.111 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)sn1 ZINC001267176679 1178420783 /nfs/dbraw/zinc/42/07/83/1178420783.db2.gz KTRVCCMBXYFNJH-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)sn1 ZINC001267176679 1178420790 /nfs/dbraw/zinc/42/07/90/1178420790.db2.gz KTRVCCMBXYFNJH-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]CC=C(Cl)Cl)c[nH+]1 ZINC001267390905 1178956642 /nfs/dbraw/zinc/95/66/42/1178956642.db2.gz XAHISFALTSIEKS-UHFFFAOYSA-N 2 2 333.263 2.294 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001267429694 1178997153 /nfs/dbraw/zinc/99/71/53/1178997153.db2.gz 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339.524 2.258 10 0 EEAELP C[C@@H]([NH2+]CCOC1CCC1)[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001482471623 1185996805 /nfs/dbraw/zinc/99/68/05/1185996805.db2.gz KXAXLXCSNHCTPO-CVEARBPZSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]([NH2+]CCOC1CCC1)[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001482471623 1185996812 /nfs/dbraw/zinc/99/68/12/1185996812.db2.gz KXAXLXCSNHCTPO-CVEARBPZSA-N 2 2 348.491 2.128 10 0 EEAELP COCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001271508097 1186277018 /nfs/dbraw/zinc/27/70/18/1186277018.db2.gz KWCQBLVJTYRNSY-NVXWUHKLSA-N 2 2 333.476 2.484 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001482649368 1187479516 /nfs/dbraw/zinc/47/95/16/1187479516.db2.gz LAOHQNOWEAWBOX-UHFFFAOYSA-N 2 2 347.463 2.202 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001482649368 1187479521 /nfs/dbraw/zinc/47/95/21/1187479521.db2.gz LAOHQNOWEAWBOX-UHFFFAOYSA-N 2 2 347.463 2.202 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001482697636 1187667476 /nfs/dbraw/zinc/66/74/76/1187667476.db2.gz YEKGHBWJOHXLLF-UKRRQHHQSA-N 2 2 332.473 2.131 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)CC[NH2+]Cc1ccc(F)cc1 ZINC001482842321 1187761813 /nfs/dbraw/zinc/76/18/13/1187761813.db2.gz ADKVEVBMHQLTDU-CQSZACIVSA-N 2 2 345.418 2.456 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC1CCCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001483028418 1188039403 /nfs/dbraw/zinc/03/94/03/1188039403.db2.gz GMVSESFOACWZSU-CHYADLBTSA-N 2 2 330.476 2.288 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCC1CCCC1 ZINC001409584424 1190075427 /nfs/dbraw/zinc/07/54/27/1190075427.db2.gz NUEGWWXQLIPUBG-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCC1CCCC1 ZINC001409584424 1190075431 /nfs/dbraw/zinc/07/54/31/1190075431.db2.gz NUEGWWXQLIPUBG-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1csc(C[NH2+][C@@H](CCN(C)C(=O)Cn2cc[nH+]c2)C(C)C)n1 ZINC001409766033 1190257900 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339.867 2.459 10 0 EEAELP C[C@H](CC[NH+](C)C)C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001412545082 1205758678 /nfs/dbraw/zinc/75/86/78/1205758678.db2.gz VGMDOOSPEILYGY-IEODJVTJSA-N 2 2 329.488 2.432 10 0 EEAELP C[NH+](C)CCOc1ccc(/C=C/C(=O)OCc2ccc(N)[nH+]c2)cc1 ZINC000924187483 1205943942 /nfs/dbraw/zinc/94/39/42/1205943942.db2.gz VQPMHUBDMZFAEP-UXBLZVDNSA-N 2 2 341.411 2.361 10 0 EEAELP Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000924688238 1206018236 /nfs/dbraw/zinc/01/82/36/1206018236.db2.gz FDQZDKFHBMQQNB-MRXNPFEDSA-N 2 2 341.459 2.297 10 0 EEAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cnn(C2CCC2)c1 ZINC000924901885 1206048733 /nfs/dbraw/zinc/04/87/33/1206048733.db2.gz LPJGSIXYHYHPMA-MAUKXSAKSA-N 2 2 347.507 2.201 10 0 EEAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cnn(C2CCC2)c1 ZINC000924901885 1206048735 /nfs/dbraw/zinc/04/87/35/1206048735.db2.gz LPJGSIXYHYHPMA-MAUKXSAKSA-N 2 2 347.507 2.201 10 0 EEAELP 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IMCPIFRCYMBECS-INMHGKMJSA-N 2 2 349.906 2.271 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000903439494 1240476761 /nfs/dbraw/zinc/47/67/61/1240476761.db2.gz IMCPIFRCYMBECS-INMHGKMJSA-N 2 2 349.906 2.271 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CCC[N@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001491116809 1258712764 /nfs/dbraw/zinc/71/27/64/1258712764.db2.gz BOHTZRFQYFERPZ-HUUCEWRRSA-N 2 2 347.488 2.319 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001491116809 1258712770 /nfs/dbraw/zinc/71/27/70/1258712770.db2.gz BOHTZRFQYFERPZ-HUUCEWRRSA-N 2 2 347.488 2.319 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC001491124804 1258723530 /nfs/dbraw/zinc/72/35/30/1258723530.db2.gz AQOQREIDJYXFPA-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cscn2)C1 ZINC001491124804 1258723535 /nfs/dbraw/zinc/72/35/35/1258723535.db2.gz AQOQREIDJYXFPA-HNNXBMFYSA-N 2 2 338.521 2.203 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)N2CCOCC2)cc1 ZINC000925485203 1284503463 /nfs/dbraw/zinc/50/34/63/1284503463.db2.gz LIDCPFJOCGWBAG-RBUKOAKNSA-N 2 2 329.488 2.243 10 0 EEAELP C[N@H+](CCC[C@H]1CCOC1)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001489330146 1290513038 /nfs/dbraw/zinc/51/30/38/1290513038.db2.gz NPUMGEVJLMBWHV-IRXDYDNUSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CCC[C@H]1CCOC1)C[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001489330146 1290513042 /nfs/dbraw/zinc/51/30/42/1290513042.db2.gz NPUMGEVJLMBWHV-IRXDYDNUSA-N 2 2 348.491 2.082 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1CCCC1 ZINC001490334778 1291228245 /nfs/dbraw/zinc/22/82/45/1291228245.db2.gz JRWNVTWLHIDMHM-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1CCCC1 ZINC001490334778 1291228250 /nfs/dbraw/zinc/22/82/50/1291228250.db2.gz JRWNVTWLHIDMHM-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC[C@H](C)C[NH2+][C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001490666434 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2.309 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccn(C)n3)C2)ccn1 ZINC000856560948 1293567249 /nfs/dbraw/zinc/56/72/49/1293567249.db2.gz QMEOMAQMLPXIMH-IBGZPJMESA-N 2 2 343.475 2.309 10 0 EEAELP CCO[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1)C[NH+](C)C ZINC000926966436 1296972305 /nfs/dbraw/zinc/97/23/05/1296972305.db2.gz WPFYHKZIYIMFDV-QFBILLFUSA-N 2 2 335.492 2.141 10 0 EEAELP C[N@H+](Cc1ccc(Br)nc1N)C[C@@H]1CCC[NH+](C)C1 ZINC000929701627 1297110507 /nfs/dbraw/zinc/11/05/07/1297110507.db2.gz LFZRFRFEZBIZCI-LLVKDONJSA-N 2 2 327.270 2.200 10 0 EEAELP C[NH+](Cc1ccc(Br)nc1N)C[C@@H]1CCC[N@H+](C)C1 ZINC000929701627 1297110518 /nfs/dbraw/zinc/11/05/18/1297110518.db2.gz LFZRFRFEZBIZCI-LLVKDONJSA-N 2 2 327.270 2.200 10 0 EEAELP C[NH+](Cc1ccc(Br)nc1N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000929701627 1297110523 /nfs/dbraw/zinc/11/05/23/1297110523.db2.gz LFZRFRFEZBIZCI-LLVKDONJSA-N 2 2 327.270 2.200 10 0 EEAELP C[N@@H+](Cc1ccc(Br)nc1N)C[C@@H]1CCC[NH+](C)C1 ZINC000929701627 1297110497 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349.438 2.328 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001265618095 1323271386 /nfs/dbraw/zinc/27/13/86/1323271386.db2.gz XEWIXSWQCUPDJZ-CYBMUJFWSA-N 2 2 346.397 2.133 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]C/C=C/c2ccccc2)C1 ZINC001265626184 1323277439 /nfs/dbraw/zinc/27/74/39/1323277439.db2.gz PQZCAQICXHLDOZ-PYJQOMOHSA-N 2 2 338.455 2.494 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265718288 1323349138 /nfs/dbraw/zinc/34/91/38/1323349138.db2.gz HFJIOIGTGXBBEL-SWSMAPBXSA-N 2 2 342.487 2.238 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001265718288 1323349140 /nfs/dbraw/zinc/34/91/40/1323349140.db2.gz HFJIOIGTGXBBEL-SWSMAPBXSA-N 2 2 342.487 2.238 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C)Cc1cc(C)ccc1F ZINC001265961793 1323523381 /nfs/dbraw/zinc/52/33/81/1323523381.db2.gz FIYMXLAMLVMIEN-UHFFFAOYSA-N 2 2 332.423 2.346 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C)Cc1cc(C)ccc1F ZINC001265961793 1323523386 /nfs/dbraw/zinc/52/33/86/1323523386.db2.gz FIYMXLAMLVMIEN-UHFFFAOYSA-N 2 2 332.423 2.346 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001265983355 1323543206 /nfs/dbraw/zinc/54/32/06/1323543206.db2.gz RGWHOXFWLHGNPX-GINYUPMKSA-N 2 2 338.455 2.494 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]C/C=C\c2ccccc2)C1 ZINC001265983355 1323543210 /nfs/dbraw/zinc/54/32/10/1323543210.db2.gz RGWHOXFWLHGNPX-GINYUPMKSA-N 2 2 338.455 2.494 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1cc(C)on1)C1CC1 ZINC001266174467 1323741765 /nfs/dbraw/zinc/74/17/65/1323741765.db2.gz JIGHVFFCGYCZPE-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1cc(C)on1)C1CC1 ZINC001266174467 1323741769 /nfs/dbraw/zinc/74/17/69/1323741769.db2.gz JIGHVFFCGYCZPE-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](Cc1cc(C)on1)C1CC1 ZINC001266174467 1323741775 /nfs/dbraw/zinc/74/17/75/1323741775.db2.gz JIGHVFFCGYCZPE-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](Cc1cc(C)on1)C1CC1 ZINC001266174467 1323741778 /nfs/dbraw/zinc/74/17/78/1323741778.db2.gz JIGHVFFCGYCZPE-SFHVURJKSA-N 2 2 348.491 2.328 10 0 EEAELP CO[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001280094169 1324083038 /nfs/dbraw/zinc/08/30/38/1324083038.db2.gz IVEXJFDQVLVBCZ-UONOGXRCSA-N 2 2 330.432 2.040 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001280208030 1324115676 /nfs/dbraw/zinc/11/56/76/1324115676.db2.gz RFPJVWAYRKDDBP-KBPBESRZSA-N 2 2 340.418 2.216 10 0 EEAELP CC(C)COCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282157933 1325636674 /nfs/dbraw/zinc/63/66/74/1325636674.db2.gz VTKNKSKEFJDAJS-HUUCEWRRSA-N 2 2 332.448 2.103 10 0 EEAELP CCCC[NH2+]C[C@H]1CC2(CO1)CCN(C(=O)Cc1[nH]c[nH+]c1C)CC2 ZINC001283011524 1325881142 /nfs/dbraw/zinc/88/11/42/1325881142.db2.gz RLOIZIUQUFTECU-MRXNPFEDSA-N 2 2 348.491 2.048 10 0 EEAELP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001283544114 1326122926 /nfs/dbraw/zinc/12/29/26/1326122926.db2.gz NLEFHWOJMRYZRC-BRWVUGGUSA-N 2 2 332.492 2.396 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001492047733 1330421123 /nfs/dbraw/zinc/42/11/23/1330421123.db2.gz ZYRDSNZIDNADAI-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)CCCNC(=O)CCc2[nH+]ccn2C)s1 ZINC001316837609 1331925049 /nfs/dbraw/zinc/92/50/49/1331925049.db2.gz UWMQBKGXDRMNKX-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)CCCNC(=O)CCc2[nH+]ccn2C)s1 ZINC001316837609 1331925050 /nfs/dbraw/zinc/92/50/50/1331925050.db2.gz UWMQBKGXDRMNKX-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP COCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317354062 1332191440 /nfs/dbraw/zinc/19/14/40/1332191440.db2.gz BUUBAJABXPZWFK-HZPDHXFCSA-N 2 2 344.459 2.392 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001318437906 1332534350 /nfs/dbraw/zinc/53/43/50/1332534350.db2.gz VBIMKOJTGRVDAC-DLBZAZTESA-N 2 2 336.480 2.040 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001319466355 1332706854 /nfs/dbraw/zinc/70/68/54/1332706854.db2.gz KHPFGJKQMZVBDW-HWYHOQROSA-N 2 2 326.444 2.492 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001319466355 1332706857 /nfs/dbraw/zinc/70/68/57/1332706857.db2.gz KHPFGJKQMZVBDW-HWYHOQROSA-N 2 2 326.444 2.492 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320453670 1332887738 /nfs/dbraw/zinc/88/77/38/1332887738.db2.gz ITUTZFNEMIDMMO-MRVWCRGKSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320453670 1332887743 /nfs/dbraw/zinc/88/77/43/1332887743.db2.gz ITUTZFNEMIDMMO-MRVWCRGKSA-N 2 2 348.397 2.476 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001320572452 1332913169 /nfs/dbraw/zinc/91/31/69/1332913169.db2.gz HHMYXFIOPIHTAU-VXGBXAGGSA-N 2 2 349.504 2.346 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001320572452 1332913172 /nfs/dbraw/zinc/91/31/72/1332913172.db2.gz HHMYXFIOPIHTAU-VXGBXAGGSA-N 2 2 349.504 2.346 10 0 EEAELP C[C@H](CC[NH2+]CC1CCC(F)(F)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001320608573 1332920198 /nfs/dbraw/zinc/92/01/98/1332920198.db2.gz OOHFUAZNGLXDDQ-CYBMUJFWSA-N 2 2 342.434 2.273 10 0 EEAELP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001320780448 1332951738 /nfs/dbraw/zinc/95/17/38/1332951738.db2.gz QRSQHLJKWDTJBR-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC=C(Cl)Cl)[C@H]1CCn2c[nH+]cc2C1 ZINC001321125171 1333025431 /nfs/dbraw/zinc/02/54/31/1333025431.db2.gz JEWPJPIEJQZMCM-ISUDXETCSA-N 2 2 343.258 2.027 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC/C=C/c1ccccc1 ZINC001322059413 1333203181 /nfs/dbraw/zinc/20/31/81/1333203181.db2.gz GMPUMTQADIHDAZ-WGPYJDKQSA-N 2 2 326.444 2.458 10 0 EEAELP COCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H](C)C1 ZINC001324067768 1333600554 /nfs/dbraw/zinc/60/05/54/1333600554.db2.gz LQWLCFDOPHXEIL-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP C[C@@H](F)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001325679422 1333939466 /nfs/dbraw/zinc/93/94/66/1333939466.db2.gz INEMYIPDQQPHBL-BZUAXINKSA-N 2 2 338.471 2.223 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCF)CC1 ZINC001326525745 1334110181 /nfs/dbraw/zinc/11/01/81/1334110181.db2.gz SAYZACFEGGLVKF-KOMQPUFPSA-N 2 2 337.439 2.257 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)CCC1 ZINC001326874835 1334174871 /nfs/dbraw/zinc/17/48/71/1334174871.db2.gz KMXWEKDTHXOJDQ-SFHVURJKSA-N 2 2 349.519 2.225 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)CCC1 ZINC001326874835 1334174875 /nfs/dbraw/zinc/17/48/75/1334174875.db2.gz KMXWEKDTHXOJDQ-SFHVURJKSA-N 2 2 349.519 2.225 10 0 EEAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@@H](C)[NH2+]Cc1cscn1 ZINC001329066931 1334578395 /nfs/dbraw/zinc/57/83/95/1334578395.db2.gz GMUPASKQSLHMKY-GHMZBOCLSA-N 2 2 329.429 2.316 10 0 EEAELP C[C@H]1[C@H]([NH2+]CCCCC(F)(F)F)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001331926692 1335677935 /nfs/dbraw/zinc/67/79/35/1335677935.db2.gz NADSRPSGRBTJNF-NWDGAFQWSA-N 2 2 332.370 2.264 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001332328694 1335803837 /nfs/dbraw/zinc/80/38/37/1335803837.db2.gz MQDYNOVWRLPDFB-QWHCGFSZSA-N 2 2 346.397 2.180 10 0 EEAELP CN(CC[NH2+]CCCc1ccsc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001664023171 1355075966 /nfs/dbraw/zinc/07/59/66/1355075966.db2.gz HSEIFULOENTUCZ-MRXNPFEDSA-N 2 2 346.500 2.188 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001436389818 1342067191 /nfs/dbraw/zinc/06/71/91/1342067191.db2.gz DJIBNFLOBPFIMI-WKILWMFISA-N 2 2 330.476 2.407 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CNC(=O)c2ccn3c(C)c[nH+]c3c2)sn1 ZINC001567016035 1342679145 /nfs/dbraw/zinc/67/91/45/1342679145.db2.gz CHAZYNDSEKJWRS-LBPRGKRZSA-N 2 2 343.456 2.316 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccnc(Cl)c1 ZINC001676011687 1357087868 /nfs/dbraw/zinc/08/78/68/1357087868.db2.gz IJDFEMZKFXBBMI-LBPRGKRZSA-N 2 2 349.866 2.384 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001567520082 1342776999 /nfs/dbraw/zinc/77/69/99/1342776999.db2.gz IXZKILHBOFYQSC-OAHLLOKOSA-N 2 2 344.434 2.141 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CCC2CC2)C1 ZINC001569841254 1342955935 /nfs/dbraw/zinc/95/59/35/1342955935.db2.gz POOUKQCCSNZPFX-PBHICJAKSA-N 2 2 331.460 2.117 10 0 EEAELP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C[NH2+]C/C=C\Cl)C1CC1 ZINC001571363272 1343199744 /nfs/dbraw/zinc/19/97/44/1343199744.db2.gz ZJDFEDBQXMXZJS-XSSAKHTASA-N 2 2 336.867 2.025 10 0 EEAELP CC(C)COCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001571483635 1343217429 /nfs/dbraw/zinc/21/74/29/1343217429.db2.gz UGNCRIRFVWAYDO-HOTGVXAUSA-N 2 2 344.459 2.200 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001677635934 1357379332 /nfs/dbraw/zinc/37/93/32/1357379332.db2.gz AXVBZZFWUXNQDP-KURKYZTESA-N 2 2 328.460 2.068 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001677635934 1357379338 /nfs/dbraw/zinc/37/93/38/1357379338.db2.gz AXVBZZFWUXNQDP-KURKYZTESA-N 2 2 328.460 2.068 10 0 EEAELP CNc1cc(CNC(=O)NCCC2CC[NH+](C(C)C)CC2)cc[nH+]1 ZINC001649303064 1353469116 /nfs/dbraw/zinc/46/91/16/1353469116.db2.gz HFYQMBIAERLBIM-UHFFFAOYSA-N 2 2 333.480 2.433 10 0 EEAELP CCOC(=O)COCC[N@@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910839 1354190171 /nfs/dbraw/zinc/19/01/71/1354190171.db2.gz WZQZXDNDZFJDHZ-HNNXBMFYSA-N 2 2 337.464 2.397 10 0 EEAELP CCOC(=O)COCC[N@H+]1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1 ZINC001655910839 1354190172 /nfs/dbraw/zinc/19/01/72/1354190172.db2.gz WZQZXDNDZFJDHZ-HNNXBMFYSA-N 2 2 337.464 2.397 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001661035158 1354576865 /nfs/dbraw/zinc/57/68/65/1354576865.db2.gz SFJZZMLFZCRVIT-AWEZNQCLSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001661035158 1354576867 /nfs/dbraw/zinc/57/68/67/1354576867.db2.gz SFJZZMLFZCRVIT-AWEZNQCLSA-N 2 2 339.430 2.387 10 0 EEAELP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001664028904 1355076733 /nfs/dbraw/zinc/07/67/33/1355076733.db2.gz PBQPMQCKBZEOBL-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP COc1ccc(C(C)C)cc1C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1 ZINC001664408502 1355157756 /nfs/dbraw/zinc/15/77/56/1355157756.db2.gz ZAZWQWBBCPXOMM-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC001668994943 1356062993 /nfs/dbraw/zinc/06/29/93/1356062993.db2.gz DLEBSOQNQUZZGW-OSJSJHBBSA-N 2 2 348.491 2.175 10 0 EEAELP CCC[N@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]Cc2nc(C)c(C)o2)C1 ZINC001668994943 1356062997 /nfs/dbraw/zinc/06/29/97/1356062997.db2.gz DLEBSOQNQUZZGW-OSJSJHBBSA-N 2 2 348.491 2.175 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001675819309 1357052387 /nfs/dbraw/zinc/05/23/87/1357052387.db2.gz SBCKJCCKBWTYTC-QAQDUYKDSA-N 2 2 330.476 2.338 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1c[nH+]c[nH]1)c1cc(F)ccc1F ZINC001699538136 1405376513 /nfs/dbraw/zinc/37/65/13/1405376513.db2.gz QVFBFJRTIRPUCG-GFCCVEGCSA-N 2 2 336.386 2.430 10 0 EEAELP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001699984864 1405629168 /nfs/dbraw/zinc/62/91/68/1405629168.db2.gz SULQLDGLBGNGHM-SFHVURJKSA-N 2 2 340.471 2.474 10 0 EEAELP CCN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000912306715 788104064 /nfs/dbraw/zinc/10/40/64/788104064.db2.gz MHAQBLNTEWRROQ-SFHVURJKSA-N 2 2 341.459 2.161 10 0 EEAELP CCN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000912306715 788104069 /nfs/dbraw/zinc/10/40/69/788104069.db2.gz MHAQBLNTEWRROQ-SFHVURJKSA-N 2 2 341.459 2.161 10 0 EEAELP Cn1nnc2c1C[C@@H]([NH2+][C@@H]1C[N@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC000922991458 788509276 /nfs/dbraw/zinc/50/92/76/788509276.db2.gz IGDODKYCRWLICZ-IRXDYDNUSA-N 2 2 339.487 2.315 10 0 EEAELP Cn1nnc2c1C[C@@H]([NH2+][C@@H]1C[N@@H+](Cc3ccccc3)C(C)(C)C1)CC2 ZINC000922991458 788509283 /nfs/dbraw/zinc/50/92/83/788509283.db2.gz IGDODKYCRWLICZ-IRXDYDNUSA-N 2 2 339.487 2.315 10 0 EEAELP CC(C)[NH+](CCNC(=O)NCc1nc(C[NH+](C)C)cs1)C(C)C ZINC000913859149 794402889 /nfs/dbraw/zinc/40/28/89/794402889.db2.gz LHCWUUYPKXWHMT-UHFFFAOYSA-N 2 2 341.525 2.123 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCC3CC=CC3)CC2)CC1 ZINC000915500090 796291267 /nfs/dbraw/zinc/29/12/67/796291267.db2.gz APBVQJPIHMAIAQ-UHFFFAOYSA-N 2 2 334.508 2.201 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)c2)[nH+]c1C ZINC000827763419 800513052 /nfs/dbraw/zinc/51/30/52/800513052.db2.gz LKNLTZPPMSMDLS-KRWDZBQOSA-N 2 2 340.427 2.353 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001436413930 1087768762 /nfs/dbraw/zinc/76/87/62/1087768762.db2.gz PCIBHJDFUMRFKH-DOTOQJQBSA-N 2 2 330.407 2.097 10 0 EEAELP CC(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C(F)(F)F ZINC001436431317 1087799866 /nfs/dbraw/zinc/79/98/66/1087799866.db2.gz FDXUVUHECIJXSZ-ZIAGYGMSSA-N 2 2 346.397 2.156 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CCF)CC[C@@H]1c1cccc(F)c1 ZINC001436432889 1087805103 /nfs/dbraw/zinc/80/51/03/1087805103.db2.gz QCXYYMXGKCMISL-IAGOWNOFSA-N 2 2 339.430 2.021 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CCF)CC[C@@H]1c1cccc(F)c1 ZINC001436432889 1087805121 /nfs/dbraw/zinc/80/51/21/1087805121.db2.gz QCXYYMXGKCMISL-IAGOWNOFSA-N 2 2 339.430 2.021 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001436796567 1088365577 /nfs/dbraw/zinc/36/55/77/1088365577.db2.gz RZYPINCATYDXOR-KRWDZBQOSA-N 2 2 330.476 2.407 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C1CC1 ZINC001436796567 1088365590 /nfs/dbraw/zinc/36/55/90/1088365590.db2.gz RZYPINCATYDXOR-KRWDZBQOSA-N 2 2 330.476 2.407 10 0 EEAELP Cc1oncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001436957285 1088645389 /nfs/dbraw/zinc/64/53/89/1088645389.db2.gz XNSQHEMHFQWDNN-IXDOHACOSA-N 2 2 345.447 2.204 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]Cc2cc(C3CC3)no2)c[nH+]1 ZINC001437164290 1089175649 /nfs/dbraw/zinc/17/56/49/1089175649.db2.gz DJENAXZMROUWDO-GFCCVEGCSA-N 2 2 345.447 2.087 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1F ZINC001437673242 1090203401 /nfs/dbraw/zinc/20/34/01/1090203401.db2.gz SLQUGXYWYPVUPE-OAHLLOKOSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(F)c1F ZINC001437673242 1090203402 /nfs/dbraw/zinc/20/34/02/1090203402.db2.gz SLQUGXYWYPVUPE-OAHLLOKOSA-N 2 2 348.397 2.251 10 0 EEAELP CCO[C@@H](C[NH2+]C[C@H](C)N(C)C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001438677331 1091171393 /nfs/dbraw/zinc/17/13/93/1091171393.db2.gz XFJQMGRAIVDOQT-YOEHRIQHSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001445566759 1091343317 /nfs/dbraw/zinc/34/33/17/1091343317.db2.gz ATWOREMMCPKQIM-QWHCGFSZSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001439155144 1091798209 /nfs/dbraw/zinc/79/82/09/1091798209.db2.gz GLCMDGAQUJSPEH-FVQBIDKESA-N 2 2 330.476 2.198 10 0 EEAELP Cc1conc1C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCn1cc[nH+]c1 ZINC001445899213 1091826014 /nfs/dbraw/zinc/82/60/14/1091826014.db2.gz PBRJGZWHZZYTSB-CVEARBPZSA-N 2 2 345.447 2.034 10 0 EEAELP CCc1cnc(C[NH2+]C[C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001439291724 1091954361 /nfs/dbraw/zinc/95/43/61/1091954361.db2.gz YAMFGYWNYVMBLF-KBXCAEBGSA-N 2 2 344.459 2.134 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439483663 1092289472 /nfs/dbraw/zinc/28/94/72/1092289472.db2.gz AAHPDJBGZRAUTK-BLLLJJGKSA-N 2 2 332.473 2.334 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439483663 1092289483 /nfs/dbraw/zinc/28/94/83/1092289483.db2.gz AAHPDJBGZRAUTK-BLLLJJGKSA-N 2 2 332.473 2.334 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001440277627 1093394597 /nfs/dbraw/zinc/39/45/97/1093394597.db2.gz PVBAQUFMOLRDCT-KRWDZBQOSA-N 2 2 330.407 2.064 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1 ZINC001440277627 1093394610 /nfs/dbraw/zinc/39/46/10/1093394610.db2.gz PVBAQUFMOLRDCT-KRWDZBQOSA-N 2 2 330.407 2.064 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001448513177 1093539540 /nfs/dbraw/zinc/53/95/40/1093539540.db2.gz YSNHAMMGXUPHOE-RZDIXWSQSA-N 2 2 344.434 2.405 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@@H+]1C[C@H](OC)C1CCC1 ZINC001440465620 1093688329 /nfs/dbraw/zinc/68/83/29/1093688329.db2.gz XCJIQBZSJMJLPD-KSZLIROESA-N 2 2 348.491 2.057 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CC[N@H+]1C[C@H](OC)C1CCC1 ZINC001440465620 1093688330 /nfs/dbraw/zinc/68/83/30/1093688330.db2.gz XCJIQBZSJMJLPD-KSZLIROESA-N 2 2 348.491 2.057 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1nccs1 ZINC001440495356 1093734175 /nfs/dbraw/zinc/73/41/75/1093734175.db2.gz OCHLDPOCOALVGH-KFWWJZLASA-N 2 2 336.505 2.097 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1nccs1 ZINC001440495356 1093734181 /nfs/dbraw/zinc/73/41/81/1093734181.db2.gz OCHLDPOCOALVGH-KFWWJZLASA-N 2 2 336.505 2.097 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1nccs1 ZINC001440495356 1093734184 /nfs/dbraw/zinc/73/41/84/1093734184.db2.gz OCHLDPOCOALVGH-KFWWJZLASA-N 2 2 336.505 2.097 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1nccs1 ZINC001440495356 1093734190 /nfs/dbraw/zinc/73/41/90/1093734190.db2.gz OCHLDPOCOALVGH-KFWWJZLASA-N 2 2 336.505 2.097 10 0 EEAELP CCC1([NH2+]Cc2nc(C)oc2C)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001440529994 1093787055 /nfs/dbraw/zinc/78/70/55/1093787055.db2.gz BDFHDDKGTZWJTP-UHFFFAOYSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)co1 ZINC001440625503 1093894763 /nfs/dbraw/zinc/89/47/63/1093894763.db2.gz JYHRGNNOYOIYSG-INIZCTEOSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C(C)(C)C2)co1 ZINC001440625503 1093894766 /nfs/dbraw/zinc/89/47/66/1093894766.db2.gz JYHRGNNOYOIYSG-INIZCTEOSA-N 2 2 348.491 2.184 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CC(C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001440757318 1094000243 /nfs/dbraw/zinc/00/02/43/1094000243.db2.gz WIUDZGONFYTYBP-KPKJPENVSA-N 2 2 331.247 2.077 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC001449063518 1094078457 /nfs/dbraw/zinc/07/84/57/1094078457.db2.gz VVLBFXKLVLEFCF-KBPBESRZSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)s1 ZINC001449063518 1094078464 /nfs/dbraw/zinc/07/84/64/1094078464.db2.gz VVLBFXKLVLEFCF-KBPBESRZSA-N 2 2 347.488 2.182 10 0 EEAELP 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1094422253 /nfs/dbraw/zinc/42/22/53/1094422253.db2.gz IKFCHIZXSCTCPC-OLZOCXBDSA-N 2 2 325.403 2.168 10 0 EEAELP C[C@H](c1c(F)cccc1F)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001441109796 1094422257 /nfs/dbraw/zinc/42/22/57/1094422257.db2.gz IKFCHIZXSCTCPC-OLZOCXBDSA-N 2 2 325.403 2.168 10 0 EEAELP CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001441128904 1094455805 /nfs/dbraw/zinc/45/58/05/1094455805.db2.gz AGHQSSKHWKOUQE-HOTGVXAUSA-N 2 2 332.492 2.370 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001441258754 1094659230 /nfs/dbraw/zinc/65/92/30/1094659230.db2.gz WDSYOZLCQUDGEJ-GUYCJALGSA-N 2 2 342.443 2.206 10 0 EEAELP Cc1ccccc1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441295913 1094734813 /nfs/dbraw/zinc/73/48/13/1094734813.db2.gz DJQAEQIJLDWLCA-LDLYASANSA-N 2 2 338.455 2.145 10 0 EEAELP Cc1ccccc1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441295913 1094734827 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DEHMUDZXRJQIGH-GJZGRUSLSA-N 2 2 347.488 2.195 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1c(F)cccc1F ZINC001442340122 1096662618 /nfs/dbraw/zinc/66/26/18/1096662618.db2.gz UKADBONYYNCQDF-OLZOCXBDSA-N 2 2 336.386 2.407 10 0 EEAELP C[N@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC[C@@H]1CCCCO1 ZINC001442431821 1096756908 /nfs/dbraw/zinc/75/69/08/1096756908.db2.gz PJSJKZWHZRAUOI-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)CC[C@@H]1CCCCO1 ZINC001442431821 1096756912 /nfs/dbraw/zinc/75/69/12/1096756912.db2.gz PJSJKZWHZRAUOI-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001442886769 1097282851 /nfs/dbraw/zinc/28/28/51/1097282851.db2.gz CCHFAJLDLWGDJQ-STQMWFEESA-N 2 2 332.370 2.225 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001442886769 1097282855 /nfs/dbraw/zinc/28/28/55/1097282855.db2.gz CCHFAJLDLWGDJQ-STQMWFEESA-N 2 2 332.370 2.225 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442909711 1097315602 /nfs/dbraw/zinc/31/56/02/1097315602.db2.gz RWCGYXVILFWWIN-HUUCEWRRSA-N 2 2 330.407 2.222 10 0 EEAELP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442909711 1097315609 /nfs/dbraw/zinc/31/56/09/1097315609.db2.gz RWCGYXVILFWWIN-HUUCEWRRSA-N 2 2 330.407 2.222 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442909716 1097315926 /nfs/dbraw/zinc/31/59/26/1097315926.db2.gz RWCGYXVILFWWIN-LSDHHAIUSA-N 2 2 330.407 2.222 10 0 EEAELP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001442909716 1097315928 /nfs/dbraw/zinc/31/59/28/1097315928.db2.gz RWCGYXVILFWWIN-LSDHHAIUSA-N 2 2 330.407 2.222 10 0 EEAELP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001443333140 1097842760 /nfs/dbraw/zinc/84/27/60/1097842760.db2.gz SZLLICCFFWSWSM-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001443333140 1097842765 /nfs/dbraw/zinc/84/27/65/1097842765.db2.gz SZLLICCFFWSWSM-IRXDYDNUSA-N 2 2 332.492 2.272 10 0 EEAELP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001443626058 1098122228 /nfs/dbraw/zinc/12/22/28/1098122228.db2.gz ARMCAHXBQJLSMN-QZTJIDSGSA-N 2 2 335.467 2.476 10 0 EEAELP CC[C@@H](F)C[NH+]1CC(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC001443626058 1098122231 /nfs/dbraw/zinc/12/22/31/1098122231.db2.gz ARMCAHXBQJLSMN-QZTJIDSGSA-N 2 2 335.467 2.476 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001443868595 1098393470 /nfs/dbraw/zinc/39/34/70/1098393470.db2.gz KVGOVSBMEZFHCX-CVEARBPZSA-N 2 2 345.447 2.172 10 0 EEAELP CCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CC[N@H+]([C@H](C)c2ncc(C)o2)C1 ZINC001443868595 1098393472 /nfs/dbraw/zinc/39/34/72/1098393472.db2.gz KVGOVSBMEZFHCX-CVEARBPZSA-N 2 2 345.447 2.172 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@]1(C[NH2+]Cc2ccon2)CCCC[C@H]1C ZINC001444158947 1098706157 /nfs/dbraw/zinc/70/61/57/1098706157.db2.gz JFQCJIWPQWCOQY-RDTXWAMCSA-N 2 2 345.447 2.034 10 0 EEAELP CC[C@H](C(=O)NCc1ccc(C[NH2+]Cc2coc(C)n2)cc1)[NH+](C)C ZINC001444198488 1098751025 /nfs/dbraw/zinc/75/10/25/1098751025.db2.gz JLBNNWKDXMEYMS-GOSISDBHSA-N 2 2 344.459 2.229 10 0 EEAELP C[C@H](F)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001479736709 1098846218 /nfs/dbraw/zinc/84/62/18/1098846218.db2.gz PQEJPORESZLHIR-HOTGVXAUSA-N 2 2 338.471 2.414 10 0 EEAELP C[C@H](F)CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCc1[nH+]ccn1C ZINC001479736709 1098846237 /nfs/dbraw/zinc/84/62/37/1098846237.db2.gz PQEJPORESZLHIR-HOTGVXAUSA-N 2 2 338.471 2.414 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001444639074 1099466516 /nfs/dbraw/zinc/46/65/16/1099466516.db2.gz OXZOTWVQASGLKJ-DOTOQJQBSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC001480053901 1099568782 /nfs/dbraw/zinc/56/87/82/1099568782.db2.gz QSJMOKPEYAVPLI-GXFFZTMASA-N 2 2 332.370 2.025 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]([NH2+]CCC(F)(F)F)C1CC1 ZINC001480053901 1099568792 /nfs/dbraw/zinc/56/87/92/1099568792.db2.gz QSJMOKPEYAVPLI-GXFFZTMASA-N 2 2 332.370 2.025 10 0 EEAELP CC[C@@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001480095909 1099657804 /nfs/dbraw/zinc/65/78/04/1099657804.db2.gz COPNECCTYFBMOT-WCVJEAGWSA-N 2 2 331.451 2.090 10 0 EEAELP CC[C@@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001480095909 1099657810 /nfs/dbraw/zinc/65/78/10/1099657810.db2.gz COPNECCTYFBMOT-WCVJEAGWSA-N 2 2 331.451 2.090 10 0 EEAELP CCc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001480162261 1099736455 /nfs/dbraw/zinc/73/64/55/1099736455.db2.gz NPVGQAHGVJGVLS-BPLDGKMQSA-N 2 2 345.447 2.130 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001480271266 1099976754 /nfs/dbraw/zinc/97/67/54/1099976754.db2.gz GPPMXDJCMFLQIN-INIZCTEOSA-N 2 2 330.476 2.292 10 0 EEAELP 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C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001480479297 1100287468 /nfs/dbraw/zinc/28/74/68/1100287468.db2.gz HJSOQFPALSUYHG-UKRRQHHQSA-N 2 2 334.464 2.021 10 0 EEAELP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001480479297 1100287472 /nfs/dbraw/zinc/28/74/72/1100287472.db2.gz HJSOQFPALSUYHG-UKRRQHHQSA-N 2 2 334.464 2.021 10 0 EEAELP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001480547060 1100380749 /nfs/dbraw/zinc/38/07/49/1100380749.db2.gz XGYVJYCALHUUEC-CHWSQXEVSA-N 2 2 336.386 2.407 10 0 EEAELP COc1cc(C[NH2+][C@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)ccc1C ZINC001480552119 1100389888 /nfs/dbraw/zinc/38/98/88/1100389888.db2.gz DSIFSFWLKVWGDP-HUUCEWRRSA-N 2 2 344.459 2.200 10 0 EEAELP COc1cc(C[NH2+][C@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)ccc1C ZINC001480552119 1100389895 /nfs/dbraw/zinc/38/98/95/1100389895.db2.gz DSIFSFWLKVWGDP-HUUCEWRRSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001496241435 1100809620 /nfs/dbraw/zinc/80/96/20/1100809620.db2.gz BAKYXLSTIZJMJB-AWEZNQCLSA-N 2 2 349.866 2.348 10 0 EEAELP COCC[NH2+]C[C@@H](NC(=O)c1cccc2[nH+]ccn21)C1CCCCC1 ZINC001496318949 1100911608 /nfs/dbraw/zinc/91/16/08/1100911608.db2.gz VDXKCHUQRISMPA-MRXNPFEDSA-N 2 2 344.459 2.249 10 0 EEAELP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001446487952 1100924171 /nfs/dbraw/zinc/92/41/71/1100924171.db2.gz GUYDVRDYXYOGAR-SJLPKXTDSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cncs2)C1 ZINC001446670968 1101203328 /nfs/dbraw/zinc/20/33/28/1101203328.db2.gz JPGOGEMGXWOQLM-QGZVFWFLSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cncs2)C1 ZINC001446670968 1101203333 /nfs/dbraw/zinc/20/33/33/1101203333.db2.gz JPGOGEMGXWOQLM-QGZVFWFLSA-N 2 2 347.488 2.067 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](Cc2ccon2)C1 ZINC001446690093 1101250884 /nfs/dbraw/zinc/25/08/84/1101250884.db2.gz 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ZINC001502394489 1113663488 /nfs/dbraw/zinc/66/34/88/1113663488.db2.gz XCRWBWBMWUUUEA-UHFFFAOYSA-N 2 2 349.866 2.290 10 0 EEAELP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001506838363 1114904202 /nfs/dbraw/zinc/90/42/02/1114904202.db2.gz VMLMEIGSFKROAE-IRXDYDNUSA-N 2 2 348.491 2.098 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H](C[NH2+]Cc1cccnc1)C1CC1)n1cc[nH+]c1 ZINC001507027476 1115064941 /nfs/dbraw/zinc/06/49/41/1115064941.db2.gz QKXSWKCWMHQEPD-QAPCUYQASA-N 2 2 341.459 2.256 10 0 EEAELP Cc1[nH+]ccn1-c1ncccc1CNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001543487566 1124130713 /nfs/dbraw/zinc/13/07/13/1124130713.db2.gz XKEBUGUZAIQTJP-UHFFFAOYSA-N 2 2 339.399 2.160 10 0 EEAELP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001567914761 1124175951 /nfs/dbraw/zinc/17/59/51/1124175951.db2.gz XDVLZFHYBZVKIT-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001567914761 1124175953 /nfs/dbraw/zinc/17/59/53/1124175953.db2.gz XDVLZFHYBZVKIT-HZPDHXFCSA-N 2 2 336.455 2.118 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@@H]([NH2+]CCCF)[C@H](C)C3)[nH+]c12 ZINC001568365480 1124439906 /nfs/dbraw/zinc/43/99/06/1124439906.db2.gz MCVFVDBWLBIHLY-NVXWUHKLSA-N 2 2 346.450 2.371 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001568391013 1124460396 /nfs/dbraw/zinc/46/03/96/1124460396.db2.gz WGWVTFYVNYDRBH-MSOLQXFVSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001568693261 1124706318 /nfs/dbraw/zinc/70/63/18/1124706318.db2.gz RTNGEZOEEWCWNP-NSHDSACASA-N 2 2 338.814 2.429 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(Cl)s1)C(=O)Cc1[nH]cc[nH+]1 ZINC001569251707 1125195047 /nfs/dbraw/zinc/19/50/47/1125195047.db2.gz ILTUXJFJABOHBE-UHFFFAOYSA-N 2 2 326.853 2.305 10 0 EEAELP C[NH+](C)C[C@@H](Cc1ccccc1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000128872691 539402133 /nfs/dbraw/zinc/40/21/33/539402133.db2.gz VTDANUACJQZKBY-QGZVFWFLSA-N 2 2 325.447 2.478 10 0 EEAELP CC(=O)Oc1ccc([C@H]([NH3+])[C@@H]([NH3+])c2ccc(OC(C)=O)cc2)cc1 ZINC000044138924 213610185 /nfs/dbraw/zinc/61/01/85/213610185.db2.gz CFWQUNROHPJKPC-ROUUACIJSA-N 2 2 328.368 2.237 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(O)c3ccccc3c2)CC1 ZINC000280430066 539712618 /nfs/dbraw/zinc/71/26/18/539712618.db2.gz PYXRIBVPEBOHQN-UHFFFAOYSA-N 2 2 341.455 2.301 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)cc1Br ZINC000384374377 539939259 /nfs/dbraw/zinc/93/92/59/539939259.db2.gz JIAQJVOOGBLIJX-AWEZNQCLSA-N 2 2 327.266 2.304 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)cc1Br ZINC000384374377 539939265 /nfs/dbraw/zinc/93/92/65/539939265.db2.gz JIAQJVOOGBLIJX-AWEZNQCLSA-N 2 2 327.266 2.304 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)ccc1Br ZINC000384443635 539939334 /nfs/dbraw/zinc/93/93/34/539939334.db2.gz YSHNUZJGPHTYOT-AWEZNQCLSA-N 2 2 327.266 2.304 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)ccc1Br ZINC000384443635 539939338 /nfs/dbraw/zinc/93/93/38/539939338.db2.gz YSHNUZJGPHTYOT-AWEZNQCLSA-N 2 2 327.266 2.304 10 0 EEAELP C[NH+](C)CCCn1c(C[NH+](C)C)nc2sc3c(c2c1=O)CCCC3 ZINC000036068441 202312823 /nfs/dbraw/zinc/31/28/23/202312823.db2.gz KOBJSWSEUZBQFA-UHFFFAOYSA-N 2 2 348.516 2.350 10 0 EEAELP O=c1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccccn12 ZINC000065473992 201154474 /nfs/dbraw/zinc/15/44/74/201154474.db2.gz OLBBGIKPBFXFCO-OAHLLOKOSA-N 2 2 335.411 2.024 10 0 EEAELP O=c1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccccn12 ZINC000065473992 201154477 /nfs/dbraw/zinc/15/44/77/201154477.db2.gz OLBBGIKPBFXFCO-OAHLLOKOSA-N 2 2 335.411 2.024 10 0 EEAELP c1ccc(CN2CCCC[C@@H]2C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422775652 240220419 /nfs/dbraw/zinc/22/04/19/240220419.db2.gz AZGAIFZZGWYMMW-NJYVYQBISA-N 2 2 343.515 2.398 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)c(OC[C@H]2CCOC2)c1 ZINC000422867435 240267079 /nfs/dbraw/zinc/26/70/79/240267079.db2.gz SFJJUQCNMDDJHT-AOIWGVFYSA-N 2 2 348.487 2.267 10 0 EEAELP 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243374648 /nfs/dbraw/zinc/37/46/48/243374648.db2.gz IBVYLHJSBXNGKO-NVXWUHKLSA-N 2 2 330.407 2.448 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000133905679 205384681 /nfs/dbraw/zinc/38/46/81/205384681.db2.gz SFRLDYZRRPZHQY-SFHVURJKSA-N 2 2 343.475 2.088 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000177340293 207324075 /nfs/dbraw/zinc/32/40/75/207324075.db2.gz RFSLDTXRPLCNFS-MRXNPFEDSA-N 2 2 329.448 2.003 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000177340293 207324078 /nfs/dbraw/zinc/32/40/78/207324078.db2.gz RFSLDTXRPLCNFS-MRXNPFEDSA-N 2 2 329.448 2.003 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)CCO1 ZINC000248543122 160350125 /nfs/dbraw/zinc/35/01/25/160350125.db2.gz CJNGPTCNNQKOBV-PXNSSMCTSA-N 2 2 332.488 2.165 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)CCO1 ZINC000248543122 160350127 /nfs/dbraw/zinc/35/01/27/160350127.db2.gz CJNGPTCNNQKOBV-PXNSSMCTSA-N 2 2 332.488 2.165 10 0 EEAELP O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188874905 160131509 /nfs/dbraw/zinc/13/15/09/160131509.db2.gz IVXPTCCLMBNTOV-UHFFFAOYSA-N 2 2 342.790 2.147 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2COC)[C@@H](C)C1 ZINC000245426275 160234255 /nfs/dbraw/zinc/23/42/55/160234255.db2.gz LEOZAHCWBFMXLE-QFBILLFUSA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccccc2COC)[C@@H](C)C1 ZINC000245426275 160234257 /nfs/dbraw/zinc/23/42/57/160234257.db2.gz LEOZAHCWBFMXLE-QFBILLFUSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccccc2COC)[C@@H](C)C1 ZINC000245426275 160234259 /nfs/dbraw/zinc/23/42/59/160234259.db2.gz LEOZAHCWBFMXLE-QFBILLFUSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccccc2COC)[C@@H](C)C1 ZINC000245426275 160234261 /nfs/dbraw/zinc/23/42/61/160234261.db2.gz LEOZAHCWBFMXLE-QFBILLFUSA-N 2 2 347.503 2.111 10 0 EEAELP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245445794 160235640 /nfs/dbraw/zinc/23/56/40/160235640.db2.gz ZFCVCTIBUZAADS-PKOBYXMFSA-N 2 2 344.503 2.116 10 0 EEAELP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245445794 160235641 /nfs/dbraw/zinc/23/56/41/160235641.db2.gz ZFCVCTIBUZAADS-PKOBYXMFSA-N 2 2 344.503 2.116 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000246079269 160262166 /nfs/dbraw/zinc/26/21/66/160262166.db2.gz UVOHFXJNFKMUEV-GJZGRUSLSA-N 2 2 342.530 2.127 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000246079269 160262167 /nfs/dbraw/zinc/26/21/67/160262167.db2.gz UVOHFXJNFKMUEV-GJZGRUSLSA-N 2 2 342.530 2.127 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246495210 160281937 /nfs/dbraw/zinc/28/19/37/160281937.db2.gz BKWRNAGPIHUATP-KURKYZTESA-N 2 2 347.507 2.425 10 0 EEAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCNc3cccc[nH+]3)CC[C@H]21 ZINC000246780556 160294022 /nfs/dbraw/zinc/29/40/22/160294022.db2.gz IJWGTSSBAJBJMW-HZPDHXFCSA-N 2 2 331.464 2.009 10 0 EEAELP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCCNc3cccc[nH+]3)CC[C@H]21 ZINC000246780556 160294023 /nfs/dbraw/zinc/29/40/23/160294023.db2.gz IJWGTSSBAJBJMW-HZPDHXFCSA-N 2 2 331.464 2.009 10 0 EEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246823355 160295728 /nfs/dbraw/zinc/29/57/28/160295728.db2.gz BHEDWXDDDHNZGI-CZUORRHYSA-N 2 2 325.478 2.193 10 0 EEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246823355 160295729 /nfs/dbraw/zinc/29/57/29/160295729.db2.gz BHEDWXDDDHNZGI-CZUORRHYSA-N 2 2 325.478 2.193 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC(F)F)CC2)[C@H](C)C1 ZINC000343498416 161141571 /nfs/dbraw/zinc/14/15/71/161141571.db2.gz AHCTVELUMUATED-HIFRSBDPSA-N 2 2 331.451 2.152 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC(F)F)CC2)[C@H](C)C1 ZINC000343498416 161141572 /nfs/dbraw/zinc/14/15/72/161141572.db2.gz AHCTVELUMUATED-HIFRSBDPSA-N 2 2 331.451 2.152 10 0 EEAELP 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EEAELP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000150771993 463424014 /nfs/dbraw/zinc/42/40/14/463424014.db2.gz BTEWPAXQYJOYQZ-GJZGRUSLSA-N 2 2 347.425 2.205 10 0 EEAELP C[C@@H](O)C[N@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CCCCC1 ZINC000104965282 463430612 /nfs/dbraw/zinc/43/06/12/463430612.db2.gz FMOOXYOTISXEEX-YLJYHZDGSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@@H](O)C[N@@H+](C[C@H](O)C[NH+](C)Cc1ccccc1)C1CCCCC1 ZINC000104965282 463430617 /nfs/dbraw/zinc/43/06/17/463430617.db2.gz FMOOXYOTISXEEX-YLJYHZDGSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@@H](O)C[NH+](C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000104965282 463430625 /nfs/dbraw/zinc/43/06/25/463430625.db2.gz FMOOXYOTISXEEX-YLJYHZDGSA-N 2 2 334.504 2.495 10 0 EEAELP C[C@@H](O)C[NH+](C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000104965282 463430628 /nfs/dbraw/zinc/43/06/28/463430628.db2.gz FMOOXYOTISXEEX-YLJYHZDGSA-N 2 2 334.504 2.495 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000056896145 463432756 /nfs/dbraw/zinc/43/27/56/463432756.db2.gz XQGGZDPCEZTVHU-MRXNPFEDSA-N 2 2 327.432 2.156 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000056896145 463432758 /nfs/dbraw/zinc/43/27/58/463432758.db2.gz XQGGZDPCEZTVHU-MRXNPFEDSA-N 2 2 327.432 2.156 10 0 EEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000056946962 463434889 /nfs/dbraw/zinc/43/48/89/463434889.db2.gz QXNNEJKBXCLTMQ-OWCLPIDISA-N 2 2 347.507 2.313 10 0 EEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000056946962 463434895 /nfs/dbraw/zinc/43/48/95/463434895.db2.gz QXNNEJKBXCLTMQ-OWCLPIDISA-N 2 2 347.507 2.313 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151311938 463511111 /nfs/dbraw/zinc/51/11/11/463511111.db2.gz SXYGBPBNLODICE-LPHOPBHVSA-N 3 2 328.460 2.370 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000151311938 463511117 /nfs/dbraw/zinc/51/11/17/463511117.db2.gz SXYGBPBNLODICE-LPHOPBHVSA-N 2 2 328.460 2.370 10 0 EEAELP [NH2+]=C(NCc1ccccc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000058184968 463549518 /nfs/dbraw/zinc/54/95/18/463549518.db2.gz SHIKGSIVBLAIPV-UHFFFAOYSA-N 2 2 338.455 2.333 10 0 EEAELP CCC[C@H](C(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1)[NH+](C)C ZINC000162984140 463555813 /nfs/dbraw/zinc/55/58/13/463555813.db2.gz KSUJLRMGCYUSDI-MRXNPFEDSA-N 2 2 338.521 2.216 10 0 EEAELP CCC[C@H](C(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1)[NH+](C)C ZINC000162984140 463555821 /nfs/dbraw/zinc/55/58/21/463555821.db2.gz KSUJLRMGCYUSDI-MRXNPFEDSA-N 2 2 338.521 2.216 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)Nc1ccc(Cl)cn1 ZINC000084069708 463575872 /nfs/dbraw/zinc/57/58/72/463575872.db2.gz ZRRNPSJIDDOZPU-NEPJUHHUSA-N 2 2 333.823 2.426 10 0 EEAELP CCC1(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000126842450 463666350 /nfs/dbraw/zinc/66/63/50/463666350.db2.gz PUXGLXFUKSBTBU-SJPCQFCGSA-N 2 2 334.508 2.129 10 0 EEAELP CCC1(CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000126842450 463666356 /nfs/dbraw/zinc/66/63/56/463666356.db2.gz PUXGLXFUKSBTBU-SJPCQFCGSA-N 2 2 334.508 2.129 10 0 EEAELP C[C@]1(C[NH+]2CCN(CCOc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261769123 463853232 /nfs/dbraw/zinc/85/32/32/463853232.db2.gz MLEUGGPQZVYEAC-SFHVURJKSA-N 2 2 337.895 2.336 10 0 EEAELP C[C@]1(CN2CC[NH+](CCOc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261769123 463853239 /nfs/dbraw/zinc/85/32/39/463853239.db2.gz MLEUGGPQZVYEAC-SFHVURJKSA-N 2 2 337.895 2.336 10 0 EEAELP COc1nc(C)cc(C)c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000287431231 463896090 /nfs/dbraw/zinc/89/60/90/463896090.db2.gz UFAJKBRUNOSOHE-SFHVURJKSA-N 2 2 346.519 2.309 10 0 EEAELP COc1nc(C)cc(C)c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000287431231 463896095 /nfs/dbraw/zinc/89/60/95/463896095.db2.gz UFAJKBRUNOSOHE-SFHVURJKSA-N 2 2 346.519 2.309 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261929507 463902539 /nfs/dbraw/zinc/90/25/39/463902539.db2.gz LNGFCVVCWZXEJW-LZLYRXPVSA-N 3 2 328.460 2.091 10 0 EEAELP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)[NH+](C)C)c1 ZINC000262042341 463932508 /nfs/dbraw/zinc/93/25/08/463932508.db2.gz YRLNNKCDCSFVCT-YRPNKDGESA-N 2 2 347.503 2.045 10 0 EEAELP FC(F)COCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000262096610 463945619 /nfs/dbraw/zinc/94/56/19/463945619.db2.gz IBDJOLBNVVUWHP-LBPRGKRZSA-N 2 2 331.432 2.369 10 0 EEAELP FC(F)COCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000262096610 463945620 /nfs/dbraw/zinc/94/56/20/463945620.db2.gz IBDJOLBNVVUWHP-LBPRGKRZSA-N 2 2 331.432 2.369 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262098331 463945627 /nfs/dbraw/zinc/94/56/27/463945627.db2.gz CAAUXEABOOXYIG-ARFHVFGLSA-N 2 2 339.842 2.483 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262098331 463945630 /nfs/dbraw/zinc/94/56/30/463945630.db2.gz CAAUXEABOOXYIG-ARFHVFGLSA-N 2 2 339.842 2.483 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000186221589 463954824 /nfs/dbraw/zinc/95/48/24/463954824.db2.gz ILSFPIHLXOGDQR-OAHLLOKOSA-N 2 2 342.434 2.161 10 0 EEAELP COc1cc(C[N@H+](CC[NH3+])CCc2ccccc2)cc2c1OCCO2 ZINC000262146552 463957226 /nfs/dbraw/zinc/95/72/26/463957226.db2.gz ZOUMKFQEJRDKGU-UHFFFAOYSA-N 2 2 342.439 2.470 10 0 EEAELP COc1cc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc2c1OCCO2 ZINC000262146552 463957228 /nfs/dbraw/zinc/95/72/28/463957228.db2.gz ZOUMKFQEJRDKGU-UHFFFAOYSA-N 2 2 342.439 2.470 10 0 EEAELP C[N@@H+]1CC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@@H]1c1ccccc1 ZINC000278827003 463996365 /nfs/dbraw/zinc/99/63/65/463996365.db2.gz ULUSDCPHNSYOIJ-APWZRJJASA-N 2 2 339.443 2.171 10 0 EEAELP C[N@H+]1CC[C@@H](Nc2cc(N3CCOCC3)[nH+]cn2)[C@@H]1c1ccccc1 ZINC000278827003 463996368 /nfs/dbraw/zinc/99/63/68/463996368.db2.gz ULUSDCPHNSYOIJ-APWZRJJASA-N 2 2 339.443 2.171 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000195292143 464034263 /nfs/dbraw/zinc/03/42/63/464034263.db2.gz SMMIJBWTUSNZPG-NHCUHLMSSA-N 2 2 339.483 2.439 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC000195292143 464034269 /nfs/dbraw/zinc/03/42/69/464034269.db2.gz SMMIJBWTUSNZPG-NHCUHLMSSA-N 2 2 339.483 2.439 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000195292143 464034274 /nfs/dbraw/zinc/03/42/74/464034274.db2.gz SMMIJBWTUSNZPG-NHCUHLMSSA-N 2 2 339.483 2.439 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000195292143 464034279 /nfs/dbraw/zinc/03/42/79/464034279.db2.gz SMMIJBWTUSNZPG-NHCUHLMSSA-N 2 2 339.483 2.439 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC000195298117 464035416 /nfs/dbraw/zinc/03/54/16/464035416.db2.gz CIODXHXABNHVGW-QZTJIDSGSA-N 2 2 335.492 2.011 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC000195298117 464035419 /nfs/dbraw/zinc/03/54/19/464035419.db2.gz CIODXHXABNHVGW-QZTJIDSGSA-N 2 2 335.492 2.011 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000195298117 464035424 /nfs/dbraw/zinc/03/54/24/464035424.db2.gz CIODXHXABNHVGW-QZTJIDSGSA-N 2 2 335.492 2.011 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000195298117 464035427 /nfs/dbraw/zinc/03/54/27/464035427.db2.gz CIODXHXABNHVGW-QZTJIDSGSA-N 2 2 335.492 2.011 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263231628 464068215 /nfs/dbraw/zinc/06/82/15/464068215.db2.gz NNOHOYLMPNORGK-QLFBSQMISA-N 2 2 329.435 2.097 10 0 EEAELP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263231628 464068223 /nfs/dbraw/zinc/06/82/23/464068223.db2.gz NNOHOYLMPNORGK-QLFBSQMISA-N 2 2 329.435 2.097 10 0 EEAELP C[NH+]1CCC(CNC(=O)CCc2ccncc2)([NH+]2CCCCC2)CC1 ZINC000172850311 464154290 /nfs/dbraw/zinc/15/42/90/464154290.db2.gz XFPMEAKCFLYYMD-UHFFFAOYSA-N 2 2 344.503 2.081 10 0 EEAELP COC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000265489338 464577977 /nfs/dbraw/zinc/57/79/77/464577977.db2.gz MRGMOPSSNCVRKU-UHFFFAOYSA-N 2 2 342.399 2.014 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182352379 464634025 /nfs/dbraw/zinc/63/40/25/464634025.db2.gz YQQOOHDHXPOWLW-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182352379 464634030 /nfs/dbraw/zinc/63/40/30/464634030.db2.gz YQQOOHDHXPOWLW-ZWKOTPCHSA-N 2 2 339.524 2.066 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000190491614 464658489 /nfs/dbraw/zinc/65/84/89/464658489.db2.gz MLLNAKDCZZAJOJ-QGZVFWFLSA-N 2 2 348.491 2.360 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCNC(=O)OC(C)(C)C)C1 ZINC000190491614 464658492 /nfs/dbraw/zinc/65/84/92/464658492.db2.gz MLLNAKDCZZAJOJ-QGZVFWFLSA-N 2 2 348.491 2.360 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000190491614 464658494 /nfs/dbraw/zinc/65/84/94/464658494.db2.gz MLLNAKDCZZAJOJ-QGZVFWFLSA-N 2 2 348.491 2.360 10 0 EEAELP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000248115454 464731141 /nfs/dbraw/zinc/73/11/41/464731141.db2.gz ILFZPULPEXFMCK-RCCFBDPRSA-N 2 2 342.487 2.383 10 0 EEAELP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)[C@H]1CCCN(c2cccc[nH+]2)C1 ZINC000248115454 464731143 /nfs/dbraw/zinc/73/11/43/464731143.db2.gz ILFZPULPEXFMCK-RCCFBDPRSA-N 2 2 342.487 2.383 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000274205747 464736831 /nfs/dbraw/zinc/73/68/31/464736831.db2.gz VLTXZHKSLZQNJV-GDBMZVCRSA-N 2 2 349.442 2.177 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000274205747 464736835 /nfs/dbraw/zinc/73/68/35/464736835.db2.gz VLTXZHKSLZQNJV-GDBMZVCRSA-N 2 2 349.442 2.177 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000183075089 464789806 /nfs/dbraw/zinc/78/98/06/464789806.db2.gz JOXQRCXKWOPETE-JKSUJKDBSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000183075089 464789811 /nfs/dbraw/zinc/78/98/11/464789811.db2.gz JOXQRCXKWOPETE-JKSUJKDBSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C2 ZINC000176592539 464807250 /nfs/dbraw/zinc/80/72/50/464807250.db2.gz CXBYAUJUBKFSRI-LSDHHAIUSA-N 2 2 347.507 2.484 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3[C@H](C)CC(O)C[C@H]3C)c2cc1C ZINC000248848386 464809842 /nfs/dbraw/zinc/80/98/42/464809842.db2.gz SHNWTOPQQULOIZ-INMHGKMJSA-N 2 2 331.460 2.248 10 0 EEAELP Cc1ccc(N2CCC(NC(=O)c3c[nH+]ccc3N(C)C)CC2)[nH+]c1 ZINC000183709533 464901215 /nfs/dbraw/zinc/90/12/15/464901215.db2.gz LDKCYMAKMBJRPH-UHFFFAOYSA-N 2 2 339.443 2.250 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337523466 465413881 /nfs/dbraw/zinc/41/38/81/465413881.db2.gz ALDCEQTVNCDVLF-ZFWWWQNUSA-N 2 2 347.850 2.414 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337523466 465413883 /nfs/dbraw/zinc/41/38/83/465413883.db2.gz ALDCEQTVNCDVLF-ZFWWWQNUSA-N 2 2 347.850 2.414 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@@H](C)C1 ZINC000348706056 465748018 /nfs/dbraw/zinc/74/80/18/465748018.db2.gz MXBZUJDKKJYYPL-QFBILLFUSA-N 2 2 342.487 2.285 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@@H](C)C1 ZINC000348706056 465748025 /nfs/dbraw/zinc/74/80/25/465748025.db2.gz MXBZUJDKKJYYPL-QFBILLFUSA-N 2 2 342.487 2.285 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@@H](C)C1 ZINC000348706056 465748033 /nfs/dbraw/zinc/74/80/33/465748033.db2.gz MXBZUJDKKJYYPL-QFBILLFUSA-N 2 2 342.487 2.285 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N2CCC(c3ccccc3)=N2)[C@@H](C)C1 ZINC000348706056 465748041 /nfs/dbraw/zinc/74/80/41/465748041.db2.gz MXBZUJDKKJYYPL-QFBILLFUSA-N 2 2 342.487 2.285 10 0 EEAELP O=c1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2sccn21 ZINC000299622471 465831437 /nfs/dbraw/zinc/83/14/37/465831437.db2.gz QQUUZRDFKNSOCR-CYBMUJFWSA-N 2 2 341.440 2.085 10 0 EEAELP O=c1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2sccn21 ZINC000299622471 465831442 /nfs/dbraw/zinc/83/14/42/465831442.db2.gz QQUUZRDFKNSOCR-CYBMUJFWSA-N 2 2 341.440 2.085 10 0 EEAELP C[C@H]1CC[C@@]2(CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)C1 ZINC000371596159 465893575 /nfs/dbraw/zinc/89/35/75/465893575.db2.gz KAIBCYJSTULDED-QFBILLFUSA-N 2 2 336.524 2.234 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000366896353 466001394 /nfs/dbraw/zinc/00/13/94/466001394.db2.gz OETCFOOIXCLXKK-CVEARBPZSA-N 2 2 336.867 2.042 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000366896353 466001398 /nfs/dbraw/zinc/00/13/98/466001398.db2.gz OETCFOOIXCLXKK-CVEARBPZSA-N 2 2 336.867 2.042 10 0 EEAELP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1 ZINC000366930521 466021928 /nfs/dbraw/zinc/02/19/28/466021928.db2.gz 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Cc1nc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc(N(C)C)[nH+]1 ZINC000488392540 468084465 /nfs/dbraw/zinc/08/44/65/468084465.db2.gz FMVBEKMUVBRPPO-MRXNPFEDSA-N 2 2 332.496 2.194 10 0 EEAELP Cc1nc(N(C)C)nc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)[nH+]1 ZINC000488392540 468084470 /nfs/dbraw/zinc/08/44/70/468084470.db2.gz FMVBEKMUVBRPPO-MRXNPFEDSA-N 2 2 332.496 2.194 10 0 EEAELP Cc1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(N(C)C)[nH+]1 ZINC000488422256 468086214 /nfs/dbraw/zinc/08/62/14/468086214.db2.gz YMXZSDDAWWQSEV-INIZCTEOSA-N 2 2 332.496 2.338 10 0 EEAELP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1C ZINC000518760141 468124962 /nfs/dbraw/zinc/12/49/62/468124962.db2.gz LTXGDVIKMPEIPR-CVEARBPZSA-N 2 2 329.444 2.222 10 0 EEAELP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1C ZINC000518760141 468124965 /nfs/dbraw/zinc/12/49/65/468124965.db2.gz LTXGDVIKMPEIPR-CVEARBPZSA-N 2 2 329.444 2.222 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000519118848 468143712 /nfs/dbraw/zinc/14/37/12/468143712.db2.gz KBJWKSOFELTCLM-LJQANCHMSA-N 2 2 339.443 2.157 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+]1CCCC1 ZINC000519399457 468159291 /nfs/dbraw/zinc/15/92/91/468159291.db2.gz QBEWBXLWZCCSJD-PMACEKPBSA-N 3 2 343.515 2.230 10 0 EEAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCCSc1ccccc1 ZINC000567888470 468230439 /nfs/dbraw/zinc/23/04/39/468230439.db2.gz GURRTBXGGNMINM-IBGZPJMESA-N 2 2 347.528 2.361 10 0 EEAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NCCCSc1ccccc1 ZINC000567888470 468230445 /nfs/dbraw/zinc/23/04/45/468230445.db2.gz GURRTBXGGNMINM-IBGZPJMESA-N 2 2 347.528 2.361 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000569577219 468512339 /nfs/dbraw/zinc/51/23/39/468512339.db2.gz KSKJFWLXYZRUGS-KXBFYZLASA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000569577219 468512343 /nfs/dbraw/zinc/51/23/43/468512343.db2.gz KSKJFWLXYZRUGS-KXBFYZLASA-N 2 2 331.460 2.488 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cccc(Cl)c1 ZINC000572720066 468979375 /nfs/dbraw/zinc/97/93/75/468979375.db2.gz BQHCSCISJREHPC-GDBMZVCRSA-N 2 2 327.831 2.103 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000610538559 468996410 /nfs/dbraw/zinc/99/64/10/468996410.db2.gz CTVBXNHHWAWTOS-ZWKOTPCHSA-N 2 2 348.487 2.143 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000610538559 468996414 /nfs/dbraw/zinc/99/64/14/468996414.db2.gz CTVBXNHHWAWTOS-ZWKOTPCHSA-N 2 2 348.487 2.143 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000610538559 468996415 /nfs/dbraw/zinc/99/64/15/468996415.db2.gz CTVBXNHHWAWTOS-ZWKOTPCHSA-N 2 2 348.487 2.143 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000610538559 468996420 /nfs/dbraw/zinc/99/64/20/468996420.db2.gz CTVBXNHHWAWTOS-ZWKOTPCHSA-N 2 2 348.487 2.143 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000562668596 469027574 /nfs/dbraw/zinc/02/75/74/469027574.db2.gz UPUPFEDFBJITMC-AEFFLSMTSA-N 2 2 333.476 2.149 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c1 ZINC000562668596 469027581 /nfs/dbraw/zinc/02/75/81/469027581.db2.gz UPUPFEDFBJITMC-AEFFLSMTSA-N 2 2 333.476 2.149 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000625720126 469364321 /nfs/dbraw/zinc/36/43/21/469364321.db2.gz WTBQXVSXKPKKBY-CYBMUJFWSA-N 2 2 337.489 2.060 10 0 EEAELP O=C(CC[N@@H+]1CCCC2(CC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000626114060 469506424 /nfs/dbraw/zinc/50/64/24/469506424.db2.gz RBLIFLTXKUBXCA-UHFFFAOYSA-N 2 2 342.487 2.386 10 0 EEAELP O=C(CC[N@H+]1CCCC2(CC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000626114060 469506428 /nfs/dbraw/zinc/50/64/28/469506428.db2.gz RBLIFLTXKUBXCA-UHFFFAOYSA-N 2 2 342.487 2.386 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629585619 469584818 /nfs/dbraw/zinc/58/48/18/469584818.db2.gz YVIUGKCUWUHQNB-BGYRXZFFSA-N 2 2 345.487 2.023 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629585619 469584823 /nfs/dbraw/zinc/58/48/23/469584823.db2.gz YVIUGKCUWUHQNB-BGYRXZFFSA-N 2 2 345.487 2.023 10 0 EEAELP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398675 469642335 /nfs/dbraw/zinc/64/23/35/469642335.db2.gz MHWCMHAIPWCLRY-UXHICEINSA-N 3 2 344.547 2.438 10 0 EEAELP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398675 469642338 /nfs/dbraw/zinc/64/23/38/469642338.db2.gz MHWCMHAIPWCLRY-UXHICEINSA-N 3 2 344.547 2.438 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)CC2 ZINC000623460603 469662646 /nfs/dbraw/zinc/66/26/46/469662646.db2.gz LPVGWSNDDGWOMC-HZPDHXFCSA-N 2 2 342.443 2.300 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000623627976 469715235 /nfs/dbraw/zinc/71/52/35/469715235.db2.gz XQHYEUQYLFRLAT-MRXNPFEDSA-N 2 2 331.464 2.200 10 0 EEAELP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000623627976 469715241 /nfs/dbraw/zinc/71/52/41/469715241.db2.gz XQHYEUQYLFRLAT-MRXNPFEDSA-N 2 2 331.464 2.200 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626923063 469755415 /nfs/dbraw/zinc/75/54/15/469755415.db2.gz KNNVAWIKQJRKJZ-HIFRSBDPSA-N 2 2 329.448 2.175 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CO[C@H]1CCCc2ccccc21 ZINC000617764301 469795357 /nfs/dbraw/zinc/79/53/57/469795357.db2.gz RDYMBEYAXAEFFF-IBGZPJMESA-N 2 2 347.503 2.080 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CO[C@H]1CCCc2ccccc21 ZINC000617764301 469795362 /nfs/dbraw/zinc/79/53/62/469795362.db2.gz RDYMBEYAXAEFFF-IBGZPJMESA-N 2 2 347.503 2.080 10 0 EEAELP Cc1ccc(-c2ocnc2C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617766269 469797595 /nfs/dbraw/zinc/79/75/95/469797595.db2.gz DOKSQEKIIODZHF-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP Cc1ccc(-c2ocnc2C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617766269 469797598 /nfs/dbraw/zinc/79/75/98/469797598.db2.gz DOKSQEKIIODZHF-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP C[C@H]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[NH2+]1 ZINC000627204444 469843540 /nfs/dbraw/zinc/84/35/40/469843540.db2.gz DOELMSXNKDESLV-DOTOQJQBSA-N 2 2 333.480 2.225 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[NH2+]1 ZINC000627205621 469843587 /nfs/dbraw/zinc/84/35/87/469843587.db2.gz CDTJJDOWVAWXMM-BMFZPTHFSA-N 2 2 327.432 2.281 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)CC2 ZINC000624155614 469858510 /nfs/dbraw/zinc/85/85/10/469858510.db2.gz YLDXFPZHPJACEA-RDJZCZTQSA-N 2 2 332.492 2.382 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000624155614 469858516 /nfs/dbraw/zinc/85/85/16/469858516.db2.gz YLDXFPZHPJACEA-RDJZCZTQSA-N 2 2 332.492 2.382 10 0 EEAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000624332971 469906728 /nfs/dbraw/zinc/90/67/28/469906728.db2.gz DUMHBVIXWQTWAG-YJBOKZPZSA-N 2 2 333.476 2.183 10 0 EEAELP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC[N@H+]2CC[C@H](O)C2)cc1 ZINC000624332971 469906730 /nfs/dbraw/zinc/90/67/30/469906730.db2.gz DUMHBVIXWQTWAG-YJBOKZPZSA-N 2 2 333.476 2.183 10 0 EEAELP Cc1[nH+]c2ccc(C(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)cc2n1C ZINC000620977513 469965625 /nfs/dbraw/zinc/96/56/25/469965625.db2.gz YLVKWYKVPSCWOX-INIZCTEOSA-N 2 2 344.459 2.065 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@@H+]1C ZINC000630825228 470004205 /nfs/dbraw/zinc/00/42/05/470004205.db2.gz JWEOCIVXXOMULK-GOEBONIOSA-N 2 2 330.407 2.358 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC[N@H+]1C ZINC000630825228 470004207 /nfs/dbraw/zinc/00/42/07/470004207.db2.gz JWEOCIVXXOMULK-GOEBONIOSA-N 2 2 330.407 2.358 10 0 EEAELP C[NH+]1CCC(CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630875149 470017991 /nfs/dbraw/zinc/01/79/91/470017991.db2.gz IJRFRZJAGRRFNU-UHFFFAOYSA-N 2 2 326.444 2.263 10 0 EEAELP COc1cncc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)n1 ZINC000625218456 470097220 /nfs/dbraw/zinc/09/72/20/470097220.db2.gz ZYYDWCJFGWJTNB-UHFFFAOYSA-N 2 2 341.459 2.019 10 0 EEAELP COc1cncc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)n1 ZINC000625218456 470097222 /nfs/dbraw/zinc/09/72/22/470097222.db2.gz ZYYDWCJFGWJTNB-UHFFFAOYSA-N 2 2 341.459 2.019 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCCC[C@@H]([NH+]3CCCC3)C1)CC2 ZINC000625367657 470128651 /nfs/dbraw/zinc/12/86/51/470128651.db2.gz SVVGEFBSWSXRBJ-IAGOWNOFSA-N 2 2 330.476 2.231 10 0 EEAELP CCC1([NH+](C)C)CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000631477770 470149442 /nfs/dbraw/zinc/14/94/42/470149442.db2.gz RLFRVLBKOBNYCL-MRXNPFEDSA-N 2 2 347.507 2.138 10 0 EEAELP CCC1([NH+](C)C)CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000631477770 470149444 /nfs/dbraw/zinc/14/94/44/470149444.db2.gz RLFRVLBKOBNYCL-MRXNPFEDSA-N 2 2 347.507 2.138 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888455 470189607 /nfs/dbraw/zinc/18/96/07/470189607.db2.gz ZLJPXQYOTXRHPB-OALUTQOASA-N 2 2 329.488 2.281 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631888455 470189608 /nfs/dbraw/zinc/18/96/08/470189608.db2.gz ZLJPXQYOTXRHPB-OALUTQOASA-N 2 2 329.488 2.281 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N[C@@H](c1ccccc1)C1CC1 ZINC000631888340 470189614 /nfs/dbraw/zinc/18/96/14/470189614.db2.gz VIYDXPNZRYAPNS-GGPKGHCWSA-N 2 2 327.472 2.328 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)N[C@@H](c1ccccc1)C1CC1 ZINC000631888340 470189615 /nfs/dbraw/zinc/18/96/15/470189615.db2.gz VIYDXPNZRYAPNS-GGPKGHCWSA-N 2 2 327.472 2.328 10 0 EEAELP O=S(=O)(CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccc(F)cc1 ZINC000631888025 470189677 /nfs/dbraw/zinc/18/96/77/470189677.db2.gz SKMOLMGVJIYDGW-YOEHRIQHSA-N 2 2 340.464 2.063 10 0 EEAELP O=S(=O)(CCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccc(F)cc1 ZINC000631888025 470189678 /nfs/dbraw/zinc/18/96/78/470189678.db2.gz SKMOLMGVJIYDGW-YOEHRIQHSA-N 2 2 340.464 2.063 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634686000 470279806 /nfs/dbraw/zinc/27/98/06/470279806.db2.gz ZLAXYWDEJGSFCR-RTBURBONSA-N 2 2 331.504 2.350 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCOC(C)(C)C2)C1 ZINC000634686000 470279808 /nfs/dbraw/zinc/27/98/08/470279808.db2.gz ZLAXYWDEJGSFCR-RTBURBONSA-N 2 2 331.504 2.350 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000648721498 470324949 /nfs/dbraw/zinc/32/49/49/470324949.db2.gz RZCKYDIKTGLDHN-HNNXBMFYSA-N 2 2 330.432 2.334 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)[nH+]c12 ZINC000649335869 470549739 /nfs/dbraw/zinc/54/97/39/470549739.db2.gz HDVXRBALJOQULS-OIISXLGYSA-N 2 2 326.444 2.222 10 0 EEAELP CC(C)Oc1ccnc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000649571185 470630887 /nfs/dbraw/zinc/63/08/87/470630887.db2.gz BPAJAVOJWRGFLO-XLIONFOSSA-N 2 2 346.519 2.327 10 0 EEAELP CC(C)Oc1ccnc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000649571185 470630892 /nfs/dbraw/zinc/63/08/92/470630892.db2.gz BPAJAVOJWRGFLO-XLIONFOSSA-N 2 2 346.519 2.327 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C1 ZINC000646793430 470738840 /nfs/dbraw/zinc/73/88/40/470738840.db2.gz FNRQEASREFDFNO-UHFFFAOYSA-N 2 2 343.515 2.495 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)C1 ZINC000646793430 470738844 /nfs/dbraw/zinc/73/88/44/470738844.db2.gz FNRQEASREFDFNO-UHFFFAOYSA-N 2 2 343.515 2.495 10 0 EEAELP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000636039428 470856874 /nfs/dbraw/zinc/85/68/74/470856874.db2.gz KPURQIBQTGEDSA-ZIAGYGMSSA-N 2 2 344.415 2.101 10 0 EEAELP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000636039428 470856880 /nfs/dbraw/zinc/85/68/80/470856880.db2.gz KPURQIBQTGEDSA-ZIAGYGMSSA-N 2 2 344.415 2.101 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000644649631 471004691 /nfs/dbraw/zinc/00/46/91/471004691.db2.gz UPEMVNAWFMDNDR-RBUKOAKNSA-N 2 2 344.430 2.212 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000644649631 471004695 /nfs/dbraw/zinc/00/46/95/471004695.db2.gz UPEMVNAWFMDNDR-RBUKOAKNSA-N 2 2 344.430 2.212 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651113187 471055428 /nfs/dbraw/zinc/05/54/28/471055428.db2.gz FTVWPADJGRNIJY-IYBDPMFKSA-N 2 2 332.492 2.246 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651113187 471055436 /nfs/dbraw/zinc/05/54/36/471055436.db2.gz FTVWPADJGRNIJY-IYBDPMFKSA-N 2 2 332.492 2.246 10 0 EEAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651155160 471070928 /nfs/dbraw/zinc/07/09/28/471070928.db2.gz ZNCIUJMARINHGZ-KRWDZBQOSA-N 2 2 340.471 2.051 10 0 EEAELP O=c1ccccn1Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000657327324 471099668 /nfs/dbraw/zinc/09/96/68/471099668.db2.gz JAFINDZOKXHWLP-UHFFFAOYSA-N 2 2 334.423 2.329 10 0 EEAELP CC[C@H]1C[C@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CO1 ZINC000657408108 471128722 /nfs/dbraw/zinc/12/87/22/471128722.db2.gz DPVUKSKQRNILFD-HOTGVXAUSA-N 2 2 344.459 2.417 10 0 EEAELP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000648437226 471205499 /nfs/dbraw/zinc/20/54/99/471205499.db2.gz FKTIMPYQBHPOAV-DOTOQJQBSA-N 2 2 335.879 2.340 10 0 EEAELP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000657802347 471236419 /nfs/dbraw/zinc/23/64/19/471236419.db2.gz ZAEJZHCYNKXZAP-XUVXKRRUSA-N 2 2 331.504 2.350 10 0 EEAELP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000657802347 471236423 /nfs/dbraw/zinc/23/64/23/471236423.db2.gz ZAEJZHCYNKXZAP-XUVXKRRUSA-N 2 2 331.504 2.350 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)NCc1cn2c(cccc2C)[nH+]1 ZINC000652176904 471250833 /nfs/dbraw/zinc/25/08/33/471250833.db2.gz UVECIWXLDUQJCU-UHFFFAOYSA-N 2 2 337.427 2.362 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000663536024 471415442 /nfs/dbraw/zinc/41/54/42/471415442.db2.gz FPHOINYDQXSJAE-SFHVURJKSA-N 2 2 332.492 2.320 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000663536024 471415447 /nfs/dbraw/zinc/41/54/47/471415447.db2.gz FPHOINYDQXSJAE-SFHVURJKSA-N 2 2 332.492 2.320 10 0 EEAELP C[C@H](NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1)c1[nH+]ccn1C ZINC000660673611 471441328 /nfs/dbraw/zinc/44/13/28/471441328.db2.gz YNVZEJXQZZBZRN-LBPRGKRZSA-N 2 2 333.411 2.181 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000655686850 471443688 /nfs/dbraw/zinc/44/36/88/471443688.db2.gz QTNGPYHSZAFHNR-RDJZCZTQSA-N 2 2 347.507 2.299 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[NH+]([C@H]4CCOC4)CC3)c2cc1OC ZINC000663727325 471492562 /nfs/dbraw/zinc/49/25/62/471492562.db2.gz DZXGJHIGICHVKJ-HNNXBMFYSA-N 2 2 343.427 2.163 10 0 EEAELP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@H+](C)C1 ZINC000663797395 471523240 /nfs/dbraw/zinc/52/32/40/471523240.db2.gz CRBGTAORIAGDDY-INIZCTEOSA-N 2 2 327.432 2.108 10 0 EEAELP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CC[N@@H+](C)C1 ZINC000663797395 471523247 /nfs/dbraw/zinc/52/32/47/471523247.db2.gz CRBGTAORIAGDDY-INIZCTEOSA-N 2 2 327.432 2.108 10 0 EEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926407 471543345 /nfs/dbraw/zinc/54/33/45/471543345.db2.gz FITZDMYCLBUESP-QWRGUYRKSA-N 2 2 333.358 2.029 10 0 EEAELP [NH3+][C@@H]1CN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC[C@H]1F ZINC000659432773 471623733 /nfs/dbraw/zinc/62/37/33/471623733.db2.gz NFTXQCHETMTOEK-HZPDHXFCSA-N 2 2 349.454 2.043 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000669942706 471643699 /nfs/dbraw/zinc/64/36/99/471643699.db2.gz HCCPETVASJLENG-LJQANCHMSA-N 2 2 333.451 2.158 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000669942706 471643704 /nfs/dbraw/zinc/64/37/04/471643704.db2.gz HCCPETVASJLENG-LJQANCHMSA-N 2 2 333.451 2.158 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000659474088 471645655 /nfs/dbraw/zinc/64/56/55/471645655.db2.gz QTDXUEYFJQQGKJ-COLVAYQJSA-N 2 2 342.846 2.131 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000659474088 471645661 /nfs/dbraw/zinc/64/56/61/471645661.db2.gz QTDXUEYFJQQGKJ-COLVAYQJSA-N 2 2 342.846 2.131 10 0 EEAELP COCC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](O)C(F)(F)F ZINC000656267486 471661369 /nfs/dbraw/zinc/66/13/69/471661369.db2.gz XPTAVTRNTACSCJ-ZDUSSCGKSA-N 2 2 349.378 2.305 10 0 EEAELP COCC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C[C@H](O)C(F)(F)F ZINC000656267486 471661372 /nfs/dbraw/zinc/66/13/72/471661372.db2.gz XPTAVTRNTACSCJ-ZDUSSCGKSA-N 2 2 349.378 2.305 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)Nc2cc[nH+]cc2N(C)C)[NH+](C)C)cc1 ZINC000670081921 471673445 /nfs/dbraw/zinc/67/34/45/471673445.db2.gz DNFSEXLOHUWEFQ-QGZVFWFLSA-N 2 2 341.459 2.302 10 0 EEAELP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1F)c1[nH+]ccn1C ZINC000667256755 471711256 /nfs/dbraw/zinc/71/12/56/471711256.db2.gz STBOZLBMPNSTKF-CQSZACIVSA-N 2 2 347.438 2.394 10 0 EEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000667516578 471805424 /nfs/dbraw/zinc/80/54/24/471805424.db2.gz AYIRFAAOXDBVLQ-HNNXBMFYSA-N 2 2 339.443 2.383 10 0 EEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c[nH+]c4n3CCC4)C2)n1 ZINC000667516578 471805427 /nfs/dbraw/zinc/80/54/27/471805427.db2.gz AYIRFAAOXDBVLQ-HNNXBMFYSA-N 2 2 339.443 2.383 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661690201 471853794 /nfs/dbraw/zinc/85/37/94/471853794.db2.gz OKHKAQLZJLWIHB-IRXDYDNUSA-N 2 2 348.466 2.190 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CCC[C@@H](CCF)C1 ZINC000661690201 471853796 /nfs/dbraw/zinc/85/37/96/471853796.db2.gz OKHKAQLZJLWIHB-IRXDYDNUSA-N 2 2 348.466 2.190 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000667681414 471864205 /nfs/dbraw/zinc/86/42/05/471864205.db2.gz IYUKJNSJBXXCDA-AWEZNQCLSA-N 2 2 348.413 2.372 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000667681414 471864209 /nfs/dbraw/zinc/86/42/09/471864209.db2.gz IYUKJNSJBXXCDA-AWEZNQCLSA-N 2 2 348.413 2.372 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000660297645 471933497 /nfs/dbraw/zinc/93/34/97/471933497.db2.gz OKPJVOJLDOVYMR-INIZCTEOSA-N 2 2 345.491 2.354 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000660297645 471933504 /nfs/dbraw/zinc/93/35/04/471933504.db2.gz OKPJVOJLDOVYMR-INIZCTEOSA-N 2 2 345.491 2.354 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Cl)cc1F ZINC000665156940 471958845 /nfs/dbraw/zinc/95/88/45/471958845.db2.gz JLIYOFNIRSZUMN-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Cl)cc1F ZINC000665156940 471958849 /nfs/dbraw/zinc/95/88/49/471958849.db2.gz JLIYOFNIRSZUMN-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCCOC2)O1 ZINC000668098737 472008182 /nfs/dbraw/zinc/00/81/82/472008182.db2.gz QAZNAJBIEHTCNX-MAUKXSAKSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@@]2(CCCOC2)O1 ZINC000668098737 472008187 /nfs/dbraw/zinc/00/81/87/472008187.db2.gz QAZNAJBIEHTCNX-MAUKXSAKSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000665363836 472021498 /nfs/dbraw/zinc/02/14/98/472021498.db2.gz CVTDIZQHOWQYGO-OAGGEKHMSA-N 2 2 333.480 2.348 10 0 EEAELP C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000665363836 472021505 /nfs/dbraw/zinc/02/15/05/472021505.db2.gz CVTDIZQHOWQYGO-OAGGEKHMSA-N 2 2 333.480 2.348 10 0 EEAELP Clc1ccc(O[C@@H]2CC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000662259206 472045870 /nfs/dbraw/zinc/04/58/70/472045870.db2.gz RXDCHSOUDSCGKR-OLZOCXBDSA-N 2 2 331.243 2.435 10 0 EEAELP Clc1ccc(O[C@@H]2CC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000662259206 472045873 /nfs/dbraw/zinc/04/58/73/472045873.db2.gz RXDCHSOUDSCGKR-OLZOCXBDSA-N 2 2 331.243 2.435 10 0 EEAELP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319209 472068458 /nfs/dbraw/zinc/06/84/58/472068458.db2.gz KRBGLRBMVHTXRJ-MJGOQNOKSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319209 472068464 /nfs/dbraw/zinc/06/84/64/472068464.db2.gz KRBGLRBMVHTXRJ-MJGOQNOKSA-N 2 2 347.503 2.042 10 0 EEAELP COc1cc2c(cc1C[NH+]1CCC([N@@H+]3CC[C@@H](O)C3)CC1)O[C@H](C)C2 ZINC000668740236 472248135 /nfs/dbraw/zinc/24/81/35/472248135.db2.gz GYTZOIHSEANKFX-RDTXWAMCSA-N 2 2 346.471 2.050 10 0 EEAELP COc1cc2c(cc1C[NH+]1CCC([N@H+]3CC[C@@H](O)C3)CC1)O[C@H](C)C2 ZINC000668740236 472248141 /nfs/dbraw/zinc/24/81/41/472248141.db2.gz GYTZOIHSEANKFX-RDTXWAMCSA-N 2 2 346.471 2.050 10 0 EEAELP Cc1nc(N2CCC[C@]3(CC[NH2+]C3)C2)c(Br)c(C)[nH+]1 ZINC000663240186 472418948 /nfs/dbraw/zinc/41/89/48/472418948.db2.gz ZGUNQXUKIBWWBI-CQSZACIVSA-N 2 2 325.254 2.436 10 0 EEAELP CC[C@@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCOC2)O1 ZINC000668096398 485620629 /nfs/dbraw/zinc/62/06/29/485620629.db2.gz GXZMUGFZPRIKSR-MSOLQXFVSA-N 2 2 328.416 2.037 10 0 EEAELP CC[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCOC2)O1 ZINC000668096398 485620634 /nfs/dbraw/zinc/62/06/34/485620634.db2.gz GXZMUGFZPRIKSR-MSOLQXFVSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683787303 485638638 /nfs/dbraw/zinc/63/86/38/485638638.db2.gz ZNCUGSUSDWFRKX-AWEZNQCLSA-N 2 2 343.431 2.051 10 0 EEAELP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000683787303 485638648 /nfs/dbraw/zinc/63/86/48/485638648.db2.gz ZNCUGSUSDWFRKX-AWEZNQCLSA-N 2 2 343.431 2.051 10 0 EEAELP CC[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[C@@H]1C ZINC000683862481 485665896 /nfs/dbraw/zinc/66/58/96/485665896.db2.gz DVNNBSKFNZQBMN-LBPRGKRZSA-N 2 2 349.385 2.371 10 0 EEAELP CC[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[C@@H]1C ZINC000683862481 485665906 /nfs/dbraw/zinc/66/59/06/485665906.db2.gz DVNNBSKFNZQBMN-LBPRGKRZSA-N 2 2 349.385 2.371 10 0 EEAELP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cnn[nH]2)cc1 ZINC000671122421 485762671 /nfs/dbraw/zinc/76/26/71/485762671.db2.gz RVLHYEGLYSOHIZ-GOSISDBHSA-N 2 2 329.423 2.497 10 0 EEAELP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cn[nH]n2)cc1 ZINC000671122421 485762678 /nfs/dbraw/zinc/76/26/78/485762678.db2.gz RVLHYEGLYSOHIZ-GOSISDBHSA-N 2 2 329.423 2.497 10 0 EEAELP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2c[nH]nn2)cc1 ZINC000671122421 485762689 /nfs/dbraw/zinc/76/26/89/485762689.db2.gz RVLHYEGLYSOHIZ-GOSISDBHSA-N 2 2 329.423 2.497 10 0 EEAELP O[C@H](C[NH+]1CC(CC(F)(F)F)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000680535249 485996455 /nfs/dbraw/zinc/99/64/55/485996455.db2.gz MOHOSHBYNAGZJL-INIZCTEOSA-N 2 2 328.378 2.290 10 0 EEAELP O[C@H](C[NH+]1CC(CC(F)(F)F)C1)C[N@H+]1CCc2ccccc2C1 ZINC000680535249 485996461 /nfs/dbraw/zinc/99/64/61/485996461.db2.gz MOHOSHBYNAGZJL-INIZCTEOSA-N 2 2 328.378 2.290 10 0 EEAELP CC(C)C1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000677095183 486373376 /nfs/dbraw/zinc/37/33/76/486373376.db2.gz YWEBJNAOYSRGRA-UHFFFAOYSA-N 2 2 336.524 2.234 10 0 EEAELP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2C)n1 ZINC000626144023 490702553 /nfs/dbraw/zinc/70/25/53/490702553.db2.gz PATXXLUKJLQHBB-DLBZAZTESA-N 2 2 339.399 2.492 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(COC)o3)CC2)CC1 ZINC000422006579 535463528 /nfs/dbraw/zinc/46/35/28/535463528.db2.gz MACBQQRASTWWGI-UHFFFAOYSA-N 2 2 349.475 2.058 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(COC)o3)CC2)CC1 ZINC000422006579 535463534 /nfs/dbraw/zinc/46/35/34/535463534.db2.gz MACBQQRASTWWGI-UHFFFAOYSA-N 2 2 349.475 2.058 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCC(=O)N2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422693819 536890419 /nfs/dbraw/zinc/89/04/19/536890419.db2.gz MQYKUCMGMWUSRA-UYAOXDASSA-N 2 2 345.487 2.481 10 0 EEAELP Cc1cc2c(ncnc2N2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)s1 ZINC000261772777 676407762 /nfs/dbraw/zinc/40/77/62/676407762.db2.gz MUBQPLITBGGPNG-KRWDZBQOSA-N 2 2 331.489 2.121 10 0 EEAELP C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894538180 682960625 /nfs/dbraw/zinc/96/06/25/682960625.db2.gz IOZSBMWSVJEZFA-GWCFXTLKSA-N 2 2 328.359 2.025 10 0 EEAELP C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894538180 682960628 /nfs/dbraw/zinc/96/06/28/682960628.db2.gz IOZSBMWSVJEZFA-GWCFXTLKSA-N 2 2 328.359 2.025 10 0 EEAELP C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894917974 683400740 /nfs/dbraw/zinc/40/07/40/683400740.db2.gz QOOHFXIHOPBUIE-ZWNOBZJWSA-N 2 2 328.359 2.025 10 0 EEAELP C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894917974 683400744 /nfs/dbraw/zinc/40/07/44/683400744.db2.gz QOOHFXIHOPBUIE-ZWNOBZJWSA-N 2 2 328.359 2.025 10 0 EEAELP C(C[NH+]1CCOCC1)N1CCC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000895684512 684686646 /nfs/dbraw/zinc/68/66/46/684686646.db2.gz DGAWYOGMWITGDF-GOSISDBHSA-N 2 2 335.536 2.486 10 0 EEAELP CC(C)[N@H+](C)CCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900185937 693969853 /nfs/dbraw/zinc/96/98/53/693969853.db2.gz LTZWHHMKXIKYSP-UHFFFAOYSA-N 2 2 343.475 2.455 10 0 EEAELP CC(C)[N@@H+](C)CCCNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900185937 693969858 /nfs/dbraw/zinc/96/98/58/693969858.db2.gz LTZWHHMKXIKYSP-UHFFFAOYSA-N 2 2 343.475 2.455 10 0 EEAELP Cc1conc1C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485584533 1191849891 /nfs/dbraw/zinc/84/98/91/1191849891.db2.gz HFLUMXWMTIUNFO-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001485584533 1191849893 /nfs/dbraw/zinc/84/98/93/1191849893.db2.gz HFLUMXWMTIUNFO-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP C[C@H](c1ccccc1F)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001485617613 1191859047 /nfs/dbraw/zinc/85/90/47/1191859047.db2.gz GFQNKZRTRHZKAO-MIGQKNRLSA-N 2 2 342.418 2.147 10 0 EEAELP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001485617613 1191859049 /nfs/dbraw/zinc/85/90/49/1191859049.db2.gz GFQNKZRTRHZKAO-MIGQKNRLSA-N 2 2 342.418 2.147 10 0 EEAELP CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001485659248 1191880066 /nfs/dbraw/zinc/88/00/66/1191880066.db2.gz ZBYUVOPKNJFCQR-YESZJQIVSA-N 2 2 332.492 2.225 10 0 EEAELP CC(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCc3[nH+]ccn3C)C[C@H]2C1 ZINC001485659248 1191880068 /nfs/dbraw/zinc/88/00/68/1191880068.db2.gz ZBYUVOPKNJFCQR-YESZJQIVSA-N 2 2 332.492 2.225 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001266685323 1177196467 /nfs/dbraw/zinc/19/64/67/1177196467.db2.gz DBGXJAZLAMYSKJ-BWBQWXGCSA-N 2 2 345.491 2.383 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001266685323 1177196471 /nfs/dbraw/zinc/19/64/71/1177196471.db2.gz DBGXJAZLAMYSKJ-BWBQWXGCSA-N 2 2 345.491 2.383 10 0 EEAELP CN(CC[NH2+]CCCCC(F)(F)F)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266745654 1177338395 /nfs/dbraw/zinc/33/83/95/1177338395.db2.gz FSNRJPITJSLWEL-ZDUSSCGKSA-N 2 2 346.397 2.226 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691086644 1177553455 /nfs/dbraw/zinc/55/34/55/1177553455.db2.gz VQNSTEGGGLZFOT-OAZXXZECSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001691086644 1177553459 /nfs/dbraw/zinc/55/34/59/1177553459.db2.gz VQNSTEGGGLZFOT-OAZXXZECSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC001266901879 1177759936 /nfs/dbraw/zinc/75/99/36/1177759936.db2.gz CRSQWPNGYBDDMJ-IFOXZMHRSA-N 2 2 343.471 2.426 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]ccc1OC ZINC001266901879 1177759941 /nfs/dbraw/zinc/75/99/41/1177759941.db2.gz CRSQWPNGYBDDMJ-IFOXZMHRSA-N 2 2 343.471 2.426 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1CCC([NH2+]CCOc2ccccc2)CC1 ZINC001266915571 1177792466 /nfs/dbraw/zinc/79/24/66/1177792466.db2.gz KYNQTMWNWIOTSN-UHFFFAOYSA-N 2 2 342.443 2.048 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CC[C@H](C[NH2+]CC[C@@H]2CCOC2)C1 ZINC001267048371 1178150623 /nfs/dbraw/zinc/15/06/23/1178150623.db2.gz VZDBYKQJXWXGJU-HUUCEWRRSA-N 2 2 342.443 2.041 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[C@H]2CCC[N@H+]2C[C@H](C)O)c(C)[nH+]1 ZINC001267170957 1178396149 /nfs/dbraw/zinc/39/61/49/1178396149.db2.gz BMPJFAPZGVBHFL-RDJZCZTQSA-N 2 2 333.476 2.362 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[C@H]2CCC[N@@H+]2C[C@H](C)O)c(C)[nH+]1 ZINC001267170957 1178396155 /nfs/dbraw/zinc/39/61/55/1178396155.db2.gz BMPJFAPZGVBHFL-RDJZCZTQSA-N 2 2 333.476 2.362 10 0 EEAELP Cc1ccc(C[N@@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)c(C)n1 ZINC001267328620 1178764538 /nfs/dbraw/zinc/76/45/38/1178764538.db2.gz BVFSYQNLLKHKKE-UHFFFAOYSA-N 2 2 343.475 2.381 10 0 EEAELP Cc1ccc(C[N@H+](CCCNC(=O)Cc2[nH]cc[nH+]2)C(C)C)c(C)n1 ZINC001267328620 1178764542 /nfs/dbraw/zinc/76/45/42/1178764542.db2.gz BVFSYQNLLKHKKE-UHFFFAOYSA-N 2 2 343.475 2.381 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cscn1 ZINC001481044955 1179623505 /nfs/dbraw/zinc/62/35/05/1179623505.db2.gz VSEYKKJAVOLJIU-CVEARBPZSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1Cc1cscn1 ZINC001481044955 1179623510 /nfs/dbraw/zinc/62/35/10/1179623510.db2.gz VSEYKKJAVOLJIU-CVEARBPZSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cscn1 ZINC001481044955 1179623514 /nfs/dbraw/zinc/62/35/14/1179623514.db2.gz VSEYKKJAVOLJIU-CVEARBPZSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1cscn1 ZINC001481044955 1179623518 /nfs/dbraw/zinc/62/35/18/1179623518.db2.gz VSEYKKJAVOLJIU-CVEARBPZSA-N 2 2 336.505 2.098 10 0 EEAELP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073639 1179684634 /nfs/dbraw/zinc/68/46/34/1179684634.db2.gz PYPLVDKFOBGXPN-KRWDZBQOSA-N 2 2 326.444 2.281 10 0 EEAELP Cc1cccc(C)c1C[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001481073639 1179684637 /nfs/dbraw/zinc/68/46/37/1179684637.db2.gz PYPLVDKFOBGXPN-KRWDZBQOSA-N 2 2 326.444 2.281 10 0 EEAELP CC(C)(C)c1cc(C[N@@H+]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)no1 ZINC001481122170 1179815173 /nfs/dbraw/zinc/81/51/73/1179815173.db2.gz GGFDJYKBWMJSIJ-OAHLLOKOSA-N 2 2 348.491 2.006 10 0 EEAELP CC(C)(C)c1cc(C[N@H+]2CC[C@H](CNC(=O)C[NH+]3CCCC3)C2)no1 ZINC001481122170 1179815178 /nfs/dbraw/zinc/81/51/78/1179815178.db2.gz GGFDJYKBWMJSIJ-OAHLLOKOSA-N 2 2 348.491 2.006 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](Cc1cncs1)C1CC1 ZINC001481201368 1180099796 /nfs/dbraw/zinc/09/97/96/1180099796.db2.gz YJDSLCFAHCSWOQ-MRXNPFEDSA-N 2 2 336.505 2.098 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+](Cc1cncs1)C1CC1 ZINC001481201368 1180099804 /nfs/dbraw/zinc/09/98/04/1180099804.db2.gz YJDSLCFAHCSWOQ-MRXNPFEDSA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+](Cc1cncs1)C1CC1 ZINC001481201368 1180099810 /nfs/dbraw/zinc/09/98/10/1180099810.db2.gz YJDSLCFAHCSWOQ-MRXNPFEDSA-N 2 2 336.505 2.098 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+](Cc1cncs1)C1CC1 ZINC001481201368 1180099818 /nfs/dbraw/zinc/09/98/18/1180099818.db2.gz YJDSLCFAHCSWOQ-MRXNPFEDSA-N 2 2 336.505 2.098 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCOc2ccccc2)CCCC1 ZINC001267843187 1180621058 /nfs/dbraw/zinc/62/10/58/1180621058.db2.gz GJECUZILHFHIPI-UHFFFAOYSA-N 2 2 342.443 2.050 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001267937944 1180791605 /nfs/dbraw/zinc/79/16/05/1180791605.db2.gz DLHITUBTMCVHDI-QGZVFWFLSA-N 2 2 326.444 2.262 10 0 EEAELP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481432842 1181323095 /nfs/dbraw/zinc/32/30/95/1181323095.db2.gz TVQLJNMCJIMHRK-MRXNPFEDSA-N 2 2 332.492 2.246 10 0 EEAELP CC(C)C[N@H+]1CC[C@@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001481432842 1181323103 /nfs/dbraw/zinc/32/31/03/1181323103.db2.gz TVQLJNMCJIMHRK-MRXNPFEDSA-N 2 2 332.492 2.246 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC001481559431 1181719468 /nfs/dbraw/zinc/71/94/68/1181719468.db2.gz LREMKSNRFDGJOT-PBHICJAKSA-N 2 2 348.491 2.012 10 0 EEAELP CCOCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001268158344 1181865465 /nfs/dbraw/zinc/86/54/65/1181865465.db2.gz ZBOLYJGPEYYRNM-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268372327 1182370507 /nfs/dbraw/zinc/37/05/07/1182370507.db2.gz COEOCNUYIKSTBL-APHBMKBZSA-N 2 2 330.407 2.337 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268372327 1182370514 /nfs/dbraw/zinc/37/05/14/1182370514.db2.gz COEOCNUYIKSTBL-APHBMKBZSA-N 2 2 330.407 2.337 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cs1 ZINC001268408095 1182532037 /nfs/dbraw/zinc/53/20/37/1182532037.db2.gz XLTWVQLWPWMSTR-CHWSQXEVSA-N 2 2 335.477 2.284 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)cc1 ZINC001481826857 1182756088 /nfs/dbraw/zinc/75/60/88/1182756088.db2.gz UZSGWXLCNNWWSD-RDJZCZTQSA-N 2 2 344.434 2.269 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001481946346 1183011515 /nfs/dbraw/zinc/01/15/15/1183011515.db2.gz LLCYBZRFCKTHQN-IBGZPJMESA-N 2 2 332.492 2.273 10 0 EEAELP C[C@H]1CC[C@H](C[NH2+]CCC2CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC001482004091 1183120519 /nfs/dbraw/zinc/12/05/19/1183120519.db2.gz RLMOJWZACLJTJC-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CC[C@H]([NH2+]CCOC2CCC2)CC1)n1cc[nH+]c1 ZINC001482023521 1183152521 /nfs/dbraw/zinc/15/25/21/1183152521.db2.gz XAOOTRHGJKMRER-ULQDDVLXSA-N 2 2 348.491 2.420 10 0 EEAELP CO[C@@H](C[NH2+]C/C=C\CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001268567807 1183275779 /nfs/dbraw/zinc/27/57/79/1183275779.db2.gz SPVSVEWDOQYPQH-KYVUIXNKSA-N 2 2 342.443 2.025 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001482146915 1183460390 /nfs/dbraw/zinc/46/03/90/1183460390.db2.gz RLWNDRZPJPQDTE-GOEBONIOSA-N 2 2 343.475 2.388 10 0 EEAELP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001269570829 1184398052 /nfs/dbraw/zinc/39/80/52/1184398052.db2.gz UEGYVDSOVKKVKX-SLUKUZTOSA-N 2 2 346.475 2.051 10 0 EEAELP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001269570829 1184398059 /nfs/dbraw/zinc/39/80/59/1184398059.db2.gz UEGYVDSOVKKVKX-SLUKUZTOSA-N 2 2 346.475 2.051 10 0 EEAELP CC(C)OCCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001269714462 1184546471 /nfs/dbraw/zinc/54/64/71/1184546471.db2.gz XLHCSMGGXDITBH-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)CCc1c[nH+]cn1C ZINC001671256692 1185033764 /nfs/dbraw/zinc/03/37/64/1185033764.db2.gz JDXSKOMNFANLCM-CVEARBPZSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@@H](C[NH2+]CCCc1cccc(F)c1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271227055 1186091664 /nfs/dbraw/zinc/09/16/64/1186091664.db2.gz LYIADHMTNFQOER-HNNXBMFYSA-N 2 2 332.423 2.092 10 0 EEAELP CC(C)C[C@H](C[NH2+]CC=C(Cl)Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001271304472 1186130016 /nfs/dbraw/zinc/13/00/16/1186130016.db2.gz JKTPMYVYMLMBGM-GFCCVEGCSA-N 2 2 333.263 2.392 10 0 EEAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@H]1C[NH2+]CCOC1CCC1 ZINC001482490322 1186241888 /nfs/dbraw/zinc/24/18/88/1186241888.db2.gz BWUKOJRTMTVHCN-WMZOPIPTSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C)cc1 ZINC001271674042 1186366616 /nfs/dbraw/zinc/36/66/16/1186366616.db2.gz RFLUIEIJJYQNMG-AEFFLSMTSA-N 2 2 340.471 2.187 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCC(F)(F)F ZINC001482537654 1186592032 /nfs/dbraw/zinc/59/20/32/1186592032.db2.gz FQZDZNDRNHQUPT-CHWSQXEVSA-N 2 2 346.397 2.128 10 0 EEAELP O=C(NCC=CC[NH2+]CC1CC(F)(F)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001483024384 1188010838 /nfs/dbraw/zinc/01/08/38/1188010838.db2.gz VFGSAAWRSLDVLG-UPHRSURJSA-N 2 2 334.370 2.484 10 0 EEAELP CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001483143621 1188746030 /nfs/dbraw/zinc/74/60/30/1188746030.db2.gz GANBNOIDQQBTAA-QAPCUYQASA-N 2 2 340.471 2.302 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001483229120 1189551012 /nfs/dbraw/zinc/55/10/12/1189551012.db2.gz AAJZTULQFWSABP-KSSFIOAISA-N 2 2 347.507 2.465 10 0 EEAELP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001483229120 1189551015 /nfs/dbraw/zinc/55/10/15/1189551015.db2.gz AAJZTULQFWSABP-KSSFIOAISA-N 2 2 347.507 2.465 10 0 EEAELP Cc1oncc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001485887635 1193630230 /nfs/dbraw/zinc/63/02/30/1193630230.db2.gz DSSHTNZLXABMJD-PBHICJAKSA-N 2 2 347.463 2.403 10 0 EEAELP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC001485944046 1193654033 /nfs/dbraw/zinc/65/40/33/1193654033.db2.gz JWAZWGOJPGMJKM-CQSZACIVSA-N 2 2 344.459 2.333 10 0 EEAELP C[C@@H](C[NH2+]CCCCC(F)(F)F)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483242524 1190270573 /nfs/dbraw/zinc/27/05/73/1190270573.db2.gz MEJPKLLUBJCERR-QWHCGFSZSA-N 2 2 346.397 2.272 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483353676 1190389367 /nfs/dbraw/zinc/38/93/67/1190389367.db2.gz UGOMSGOPOVMTQP-GDBMZVCRSA-N 2 2 348.491 2.357 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001483353676 1190389373 /nfs/dbraw/zinc/38/93/73/1190389373.db2.gz UGOMSGOPOVMTQP-GDBMZVCRSA-N 2 2 348.491 2.357 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483356367 1190394743 /nfs/dbraw/zinc/39/47/43/1190394743.db2.gz LXYNQSPPKYMWMG-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001483356367 1190394746 /nfs/dbraw/zinc/39/47/46/1190394746.db2.gz LXYNQSPPKYMWMG-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001483376168 1190417658 /nfs/dbraw/zinc/41/76/58/1190417658.db2.gz DJHUTMCBOWWHNT-WMZOPIPTSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001483376168 1190417661 /nfs/dbraw/zinc/41/76/61/1190417661.db2.gz DJHUTMCBOWWHNT-WMZOPIPTSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001483376168 1190417663 /nfs/dbraw/zinc/41/76/63/1190417663.db2.gz DJHUTMCBOWWHNT-WMZOPIPTSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001483376168 1190417668 /nfs/dbraw/zinc/41/76/68/1190417668.db2.gz DJHUTMCBOWWHNT-WMZOPIPTSA-N 2 2 337.508 2.033 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001483650010 1190709028 /nfs/dbraw/zinc/70/90/28/1190709028.db2.gz ANZJAGXKQRYYHM-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]1CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001483650010 1190709031 /nfs/dbraw/zinc/70/90/31/1190709031.db2.gz ANZJAGXKQRYYHM-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]Cc2c(F)cccc2F)C1 ZINC001272651013 1190960309 /nfs/dbraw/zinc/96/03/09/1190960309.db2.gz BHWRPTLTGMUADK-CQSZACIVSA-N 2 2 348.397 2.190 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)Cc2[nH]cc[nH+]2)CC1)c1ccc2c(c1)CCC2 ZINC001483780043 1191024661 /nfs/dbraw/zinc/02/46/61/1191024661.db2.gz YLWOSOJHPSWKSY-CQSZACIVSA-N 2 2 338.455 2.441 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H]([NH2+]CCOCC2CCC2)C[C@@H]1C ZINC001483914458 1191114555 /nfs/dbraw/zinc/11/45/55/1191114555.db2.gz AEIINBZYULGZAD-WMLDXEAASA-N 2 2 348.491 2.046 10 0 EEAELP CC[NH2+][C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccccc1CC ZINC001484322220 1191304071 /nfs/dbraw/zinc/30/40/71/1191304071.db2.gz CASRREYOTAUPCR-VQIMIIECSA-N 2 2 340.471 2.475 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CC3CCCC3)C[C@@H]2C1 ZINC001484415908 1191342051 /nfs/dbraw/zinc/34/20/51/1191342051.db2.gz UTLQVBRPTZFCAO-HDICACEKSA-N 2 2 330.476 2.244 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001484415908 1191342053 /nfs/dbraw/zinc/34/20/53/1191342053.db2.gz UTLQVBRPTZFCAO-HDICACEKSA-N 2 2 330.476 2.244 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]CCCc2ccccc2)C1 ZINC001484543337 1191403467 /nfs/dbraw/zinc/40/34/67/1191403467.db2.gz KXIRARUNDCGRKC-SFHVURJKSA-N 2 2 340.471 2.413 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001484546537 1191408087 /nfs/dbraw/zinc/40/80/87/1191408087.db2.gz IIDNTDHOLKSUJS-OAHLLOKOSA-N 2 2 344.434 2.130 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)sn1 ZINC001484546800 1191408431 /nfs/dbraw/zinc/40/84/31/1191408431.db2.gz HJKMEQIJOVHMKX-CQSZACIVSA-N 2 2 347.488 2.054 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)Cc2nccs2)CC[N@@H+]1C ZINC001484754139 1191509205 /nfs/dbraw/zinc/50/92/05/1191509205.db2.gz DVUHYMYOLQAPPD-GJZGRUSLSA-N 2 2 338.521 2.154 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)Cc2nccs2)CC[N@H+]1C ZINC001484754139 1191509207 /nfs/dbraw/zinc/50/92/07/1191509207.db2.gz DVUHYMYOLQAPPD-GJZGRUSLSA-N 2 2 338.521 2.154 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc2nccs2)CC[NH+]1C ZINC001484754139 1191509209 /nfs/dbraw/zinc/50/92/09/1191509209.db2.gz DVUHYMYOLQAPPD-GJZGRUSLSA-N 2 2 338.521 2.154 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc2nccs2)CC[NH+]1C ZINC001484754139 1191509211 /nfs/dbraw/zinc/50/92/11/1191509211.db2.gz DVUHYMYOLQAPPD-GJZGRUSLSA-N 2 2 338.521 2.154 10 0 EEAELP CCC[NH+]1CC2(C1)CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)O2 ZINC001484781016 1191517970 /nfs/dbraw/zinc/51/79/70/1191517970.db2.gz ANBWJNFEYZHMSG-HZPDHXFCSA-N 2 2 348.491 2.156 10 0 EEAELP CC(C)=CC[NH+]1CC2(C1)CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)O2 ZINC001484788132 1191525775 /nfs/dbraw/zinc/52/57/75/1191525775.db2.gz RSZPIBIDVPPGLD-GOSISDBHSA-N 2 2 349.519 2.034 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]CC2=CCCCC2)CCOCC1 ZINC001484866728 1191550727 /nfs/dbraw/zinc/55/07/27/1191550727.db2.gz UFNGQZPDTYPEPV-UHFFFAOYSA-N 2 2 346.475 2.029 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@H+](CCCc2ccsc2)CC1 ZINC001486516922 1194023457 /nfs/dbraw/zinc/02/34/57/1194023457.db2.gz QBWFKOYXDNHNOH-UHFFFAOYSA-N 2 2 344.484 2.395 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1=CC[N@@H+](CCCc2ccsc2)CC1 ZINC001486516922 1194023458 /nfs/dbraw/zinc/02/34/58/1194023458.db2.gz QBWFKOYXDNHNOH-UHFFFAOYSA-N 2 2 344.484 2.395 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273026878 1194333709 /nfs/dbraw/zinc/33/37/09/1194333709.db2.gz MTBXGLASLCGQJQ-DJIMGWMZSA-N 2 2 326.444 2.208 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]CCc1ccc(C)cc1 ZINC001273150264 1197065087 /nfs/dbraw/zinc/06/50/87/1197065087.db2.gz KGPSWXDKHOGFEL-HNNXBMFYSA-N 2 2 328.460 2.296 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001410125781 1197557929 /nfs/dbraw/zinc/55/79/29/1197557929.db2.gz SEYRPRLFTKMUJH-QSPRXWTASA-N 2 2 332.492 2.237 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001410125781 1197557931 /nfs/dbraw/zinc/55/79/31/1197557931.db2.gz SEYRPRLFTKMUJH-QSPRXWTASA-N 2 2 332.492 2.237 10 0 EEAELP CC(C)[NH2+][C@H](CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001410256707 1197640569 /nfs/dbraw/zinc/64/05/69/1197640569.db2.gz YPMJDBWGHZTMGY-RHSMWYFYSA-N 2 2 335.496 2.319 10 0 EEAELP CC(C)[NH2+][C@H](CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001410256707 1197640571 /nfs/dbraw/zinc/64/05/71/1197640571.db2.gz YPMJDBWGHZTMGY-RHSMWYFYSA-N 2 2 335.496 2.319 10 0 EEAELP Fc1ccc2[nH+]c(Cc3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)cn2c1 ZINC000871800922 1197910954 /nfs/dbraw/zinc/91/09/54/1197910954.db2.gz ALSJBTDCFKBZQP-VGPLMAKISA-N 2 2 327.363 2.445 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCCC1(F)F ZINC001493067336 1198797466 /nfs/dbraw/zinc/79/74/66/1198797466.db2.gz MRLFWJZKUPZLFE-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)CC[C@H]1CCCC1(F)F ZINC001493067336 1198797469 /nfs/dbraw/zinc/79/74/69/1198797469.db2.gz MRLFWJZKUPZLFE-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP COCC[C@@H](COC)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000810257260 1199380667 /nfs/dbraw/zinc/38/06/67/1199380667.db2.gz OSCJDBXKLRWQGM-KRWDZBQOSA-N 2 2 335.492 2.363 10 0 EEAELP C[C@H](C[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)NC(=O)OC(C)(C)C ZINC000866413018 1201511638 /nfs/dbraw/zinc/51/16/38/1201511638.db2.gz DXFOYJLPVKRACD-ZNMIVQPWSA-N 2 2 343.512 2.113 10 0 EEAELP C[C@H](C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)NC(=O)OC(C)(C)C ZINC000866413018 1201511642 /nfs/dbraw/zinc/51/16/42/1201511642.db2.gz DXFOYJLPVKRACD-ZNMIVQPWSA-N 2 2 343.512 2.113 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000868167267 1201756699 /nfs/dbraw/zinc/75/66/99/1201756699.db2.gz NSXFTDBNMGZUEE-GOSISDBHSA-N 2 2 337.427 2.036 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000868167267 1201756701 /nfs/dbraw/zinc/75/67/01/1201756701.db2.gz NSXFTDBNMGZUEE-GOSISDBHSA-N 2 2 337.427 2.036 10 0 EEAELP Cc1cccc(C[N@@H+]2CCO[C@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC000826565200 1204264125 /nfs/dbraw/zinc/26/41/25/1204264125.db2.gz UPDRTJZDSMTMOO-LJQANCHMSA-N 2 2 347.503 2.044 10 0 EEAELP Cc1cccc(C[N@H+]2CCO[C@H](CNC(=O)CCCC[NH+](C)C)C2)c1 ZINC000826565200 1204264129 /nfs/dbraw/zinc/26/41/29/1204264129.db2.gz UPDRTJZDSMTMOO-LJQANCHMSA-N 2 2 347.503 2.044 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001274141863 1204400572 /nfs/dbraw/zinc/40/05/72/1204400572.db2.gz JQWWVNBCEDZQNK-DCKQQPRJSA-N 2 2 338.455 2.216 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001274251827 1204976997 /nfs/dbraw/zinc/97/69/97/1204976997.db2.gz AGSMUGRNYJABCR-AATRIKPKSA-N 2 2 348.491 2.434 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274624885 1205103295 /nfs/dbraw/zinc/10/32/95/1205103295.db2.gz SSJBSIHPKYVNBM-HOTGVXAUSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274624885 1205103299 /nfs/dbraw/zinc/10/32/99/1205103299.db2.gz SSJBSIHPKYVNBM-HOTGVXAUSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001274624885 1205103302 /nfs/dbraw/zinc/10/33/02/1205103302.db2.gz SSJBSIHPKYVNBM-HOTGVXAUSA-N 2 2 336.480 2.127 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)C[C@@H]1C ZINC001274624885 1205103305 /nfs/dbraw/zinc/10/33/05/1205103305.db2.gz SSJBSIHPKYVNBM-HOTGVXAUSA-N 2 2 336.480 2.127 10 0 EEAELP CC/C=C/CC[NH2+]CC1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001275251103 1205290806 /nfs/dbraw/zinc/29/08/06/1205290806.db2.gz OXPVGHGRLVBPJF-DOPNRYRRSA-N 2 2 330.476 2.286 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]CC[C@H]2CC2(Cl)Cl)C1 ZINC001275289463 1205300072 /nfs/dbraw/zinc/30/00/72/1205300072.db2.gz HBKWPBQGJBSHRB-CXQJBGSLSA-N 2 2 345.274 2.021 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001275458660 1205369889 /nfs/dbraw/zinc/36/98/89/1205369889.db2.gz CBHHBIICNPNIQM-GJZGRUSLSA-N 2 2 339.443 2.438 10 0 EEAELP COc1ccc(C)cc1C[NH+]1CCN(C(=O)[C@@H](C)CC[NH+](C)C)CC1 ZINC001411612787 1205453357 /nfs/dbraw/zinc/45/33/57/1205453357.db2.gz GPLNKIUERSMZOE-KRWDZBQOSA-N 2 2 347.503 2.236 10 0 EEAELP CN(CCC[NH2+]Cc1cnc(Cl)s1)C(=O)CCn1cc[nH+]c1 ZINC001276155751 1205803749 /nfs/dbraw/zinc/80/37/49/1205803749.db2.gz KUFVPGAAUNBJTE-UHFFFAOYSA-N 2 2 341.868 2.021 10 0 EEAELP C[C@@H]1COC[C@@H](C)C1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000924614121 1206003916 /nfs/dbraw/zinc/00/39/16/1206003916.db2.gz SLTPILAVNAQBPP-QZTJIDSGSA-N 2 2 331.504 2.459 10 0 EEAELP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925464489 1206115228 /nfs/dbraw/zinc/11/52/28/1206115228.db2.gz DEGMBANOXUNWMA-IAGOWNOFSA-N 2 2 343.471 2.409 10 0 EEAELP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925464489 1206115229 /nfs/dbraw/zinc/11/52/29/1206115229.db2.gz DEGMBANOXUNWMA-IAGOWNOFSA-N 2 2 343.471 2.409 10 0 EEAELP CC(F)(F)c1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926134489 1206196969 /nfs/dbraw/zinc/19/69/69/1206196969.db2.gz PHGGGVXHTSCGJR-UHFFFAOYSA-N 2 2 326.391 2.343 10 0 EEAELP CC(C)CCc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)nc1 ZINC000926136132 1206197373 /nfs/dbraw/zinc/19/73/73/1206197373.db2.gz UEAHPYXVJIPCHJ-UHFFFAOYSA-N 2 2 333.480 2.215 10 0 EEAELP C[NH+](C)C1CCN(c2ccc(NC(=O)Cn3cc[nH+]c3)cc2F)CC1 ZINC000074349693 1206285508 /nfs/dbraw/zinc/28/55/08/1206285508.db2.gz RAMLVFQXMOUBAG-UHFFFAOYSA-N 2 2 345.422 2.191 10 0 EEAELP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932575619 1207629653 /nfs/dbraw/zinc/62/96/53/1207629653.db2.gz DHGNYIGRYLOPOR-WZGPROSRSA-N 2 2 333.520 2.440 10 0 EEAELP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932575619 1207629655 /nfs/dbraw/zinc/62/96/55/1207629655.db2.gz DHGNYIGRYLOPOR-WZGPROSRSA-N 2 2 333.520 2.440 10 0 EEAELP C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000091840661 1214231215 /nfs/dbraw/zinc/23/12/15/1214231215.db2.gz MJHJZDXINWMFDW-OALUTQOASA-N 2 2 326.440 2.292 10 0 EEAELP C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000091840661 1214231222 /nfs/dbraw/zinc/23/12/22/1214231222.db2.gz MJHJZDXINWMFDW-OALUTQOASA-N 2 2 326.440 2.292 10 0 EEAELP C#CC[NH+]1CCC[C@H]1COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000091840661 1214231229 /nfs/dbraw/zinc/23/12/29/1214231229.db2.gz MJHJZDXINWMFDW-OALUTQOASA-N 2 2 326.440 2.292 10 0 EEAELP C#CC[NH+]1CCC[C@H]1COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000091840661 1214231236 /nfs/dbraw/zinc/23/12/36/1214231236.db2.gz MJHJZDXINWMFDW-OALUTQOASA-N 2 2 326.440 2.292 10 0 EEAELP COc1nscc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001412983000 1216355623 /nfs/dbraw/zinc/35/56/23/1216355623.db2.gz RMUDEFZLGFVQRD-UHFFFAOYSA-N 2 2 338.521 2.142 10 0 EEAELP CCOC(=O)C1CCC(O)(C[NH+]2CCC(c3c[nH+]cn3C)CC2)CC1 ZINC001413095510 1234083626 /nfs/dbraw/zinc/08/36/26/1234083626.db2.gz PKQUAKMIGPBRSB-UHFFFAOYSA-N 2 2 349.475 2.084 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C12CC[NH+](CC1)C2 ZINC000900618471 1234571698 /nfs/dbraw/zinc/57/16/98/1234571698.db2.gz XTAZWAHFMPADKQ-UHFFFAOYSA-N 2 2 328.460 2.174 10 0 EEAELP CN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000900830186 1234876284 /nfs/dbraw/zinc/87/62/84/1234876284.db2.gz NTKDGKRXUIZWBJ-GOSISDBHSA-N 2 2 341.459 2.161 10 0 EEAELP CN(C(=O)c1ccc(NCCn2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000900830186 1234876288 /nfs/dbraw/zinc/87/62/88/1234876288.db2.gz NTKDGKRXUIZWBJ-GOSISDBHSA-N 2 2 341.459 2.161 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2nc(C(F)(F)F)cs2)cnn1C ZINC000903924849 1242519126 /nfs/dbraw/zinc/51/91/26/1242519126.db2.gz IORNQCFBJUDJRV-SNVBAGLBSA-N 2 2 347.410 2.111 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1C[NH2+]CCC[C@@H]1CCOC1 ZINC001491258761 1258856461 /nfs/dbraw/zinc/85/64/61/1258856461.db2.gz JMQVGDZJBVTLSP-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC001491456435 1259101471 /nfs/dbraw/zinc/10/14/71/1259101471.db2.gz MXSQVYKWCOMGPC-HOCLYGCPSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC001491456435 1259101472 /nfs/dbraw/zinc/10/14/72/1259101472.db2.gz MXSQVYKWCOMGPC-HOCLYGCPSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)on1 ZINC001491491387 1259140846 /nfs/dbraw/zinc/14/08/46/1259140846.db2.gz PFUIQXOQDKJPDT-ZBFHGGJFSA-N 2 2 333.436 2.061 10 0 EEAELP Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001491507362 1259158613 /nfs/dbraw/zinc/15/86/13/1259158613.db2.gz IYFNTCFVHIBMQP-DLBZAZTESA-N 2 2 340.471 2.357 10 0 EEAELP CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)CO2 ZINC001273713016 1283894124 /nfs/dbraw/zinc/89/41/24/1283894124.db2.gz MLBUIHXNYBAOLK-IRXDYDNUSA-N 2 2 337.508 2.011 10 0 EEAELP CCCCCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)CO2 ZINC001273713016 1283894132 /nfs/dbraw/zinc/89/41/32/1283894132.db2.gz MLBUIHXNYBAOLK-IRXDYDNUSA-N 2 2 337.508 2.011 10 0 EEAELP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccn1)[NH+]1CCCCCC1 ZINC001488666825 1290118295 /nfs/dbraw/zinc/11/82/95/1290118295.db2.gz HFZNKOXOTYGNDE-MJGOQNOKSA-N 2 2 344.503 2.379 10 0 EEAELP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccn1)[NH+]1CCCCCC1 ZINC001488666825 1290118301 /nfs/dbraw/zinc/11/83/01/1290118301.db2.gz HFZNKOXOTYGNDE-MJGOQNOKSA-N 2 2 344.503 2.379 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCc2c1c(F)ccc2F ZINC001490261026 1291143323 /nfs/dbraw/zinc/14/33/23/1291143323.db2.gz GGEQUCDHGCQEQE-HNNXBMFYSA-N 2 2 348.397 2.356 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCc2c1c(F)ccc2F ZINC001490261026 1291143332 /nfs/dbraw/zinc/14/33/32/1291143332.db2.gz GGEQUCDHGCQEQE-HNNXBMFYSA-N 2 2 348.397 2.356 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]([NH2+]CC=C(Cl)Cl)C1CC1 ZINC001490725662 1291610377 /nfs/dbraw/zinc/61/03/77/1291610377.db2.gz ZUMGRKJHDGPACK-MFKMUULPSA-N 2 2 345.274 2.392 10 0 EEAELP CCCCCC[C@@](O)(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)OC ZINC000851845420 1291882360 /nfs/dbraw/zinc/88/23/60/1291882360.db2.gz JHVXWXNQKLJNNA-MAUKXSAKSA-N 2 2 337.464 2.464 10 0 EEAELP CCCCCC[C@@](O)(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C(=O)OC ZINC000851845420 1291882372 /nfs/dbraw/zinc/88/23/72/1291882372.db2.gz JHVXWXNQKLJNNA-MAUKXSAKSA-N 2 2 337.464 2.464 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000852783942 1292196623 /nfs/dbraw/zinc/19/66/23/1292196623.db2.gz ZAWOVMBXMNZJLJ-HZPDHXFCSA-N 2 2 345.487 2.215 10 0 EEAELP COc1cccc(-c2noc(NCC[N@H+](C)CCC[NH+](C)C)n2)c1 ZINC000853798108 1292457245 /nfs/dbraw/zinc/45/72/45/1292457245.db2.gz AQWVIQSLPRKLLO-UHFFFAOYSA-N 2 2 333.436 2.041 10 0 EEAELP COc1cccc(-c2noc(NCC[N@@H+](C)CCC[NH+](C)C)n2)c1 ZINC000853798108 1292457262 /nfs/dbraw/zinc/45/72/62/1292457262.db2.gz AQWVIQSLPRKLLO-UHFFFAOYSA-N 2 2 333.436 2.041 10 0 EEAELP CC[C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC[C@H]1[NH2+]CCCCCF ZINC001276758773 1297490591 /nfs/dbraw/zinc/49/05/91/1297490591.db2.gz CUBIWVHXVDMNCB-DOTOQJQBSA-N 2 2 338.471 2.319 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC001276839589 1299867204 /nfs/dbraw/zinc/86/72/04/1299867204.db2.gz KQDSZLUXUUCRKS-HRCADAONSA-N 2 2 336.455 2.309 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CC[C@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC001276839589 1299867212 /nfs/dbraw/zinc/86/72/12/1299867212.db2.gz KQDSZLUXUUCRKS-HRCADAONSA-N 2 2 336.455 2.309 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001277001355 1300766662 /nfs/dbraw/zinc/76/66/62/1300766662.db2.gz LTFLXJJAWGUFPD-ULQDDVLXSA-N 2 2 332.492 2.366 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001277019729 1300889422 /nfs/dbraw/zinc/88/94/22/1300889422.db2.gz OGFXBHHIWOQFOB-SHTZXODSSA-N 2 2 347.850 2.006 10 0 EEAELP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000796779559 1304578942 /nfs/dbraw/zinc/57/89/42/1304578942.db2.gz OZBKTMWJECABJZ-UHOSZYNNSA-N 2 2 340.471 2.260 10 0 EEAELP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000796779559 1304578952 /nfs/dbraw/zinc/57/89/52/1304578952.db2.gz OZBKTMWJECABJZ-UHOSZYNNSA-N 2 2 340.471 2.260 10 0 EEAELP O[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cn1 ZINC000799324245 1305225523 /nfs/dbraw/zinc/22/55/23/1305225523.db2.gz NGGMBKVENYCVEE-FUHIMQAGSA-N 2 2 341.430 2.318 10 0 EEAELP O[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cn1 ZINC000799324245 1305225528 /nfs/dbraw/zinc/22/55/28/1305225528.db2.gz NGGMBKVENYCVEE-FUHIMQAGSA-N 2 2 341.430 2.318 10 0 EEAELP O[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cn1 ZINC000799324245 1305225532 /nfs/dbraw/zinc/22/55/32/1305225532.db2.gz NGGMBKVENYCVEE-FUHIMQAGSA-N 2 2 341.430 2.318 10 0 EEAELP O[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(F)cn1 ZINC000799324245 1305225536 /nfs/dbraw/zinc/22/55/36/1305225536.db2.gz NGGMBKVENYCVEE-FUHIMQAGSA-N 2 2 341.430 2.318 10 0 EEAELP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCCO1)c1c[nH+]c[nH]1 ZINC001277980084 1305532640 /nfs/dbraw/zinc/53/26/40/1305532640.db2.gz FAEATPDLWBJISE-HZPDHXFCSA-N 2 2 348.491 2.227 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC2CCC([NH+]3CCCCC3)CC2)c1 ZINC000838509010 1315171730 /nfs/dbraw/zinc/17/17/30/1315171730.db2.gz YXJFPNDNTPGYOL-UHFFFAOYSA-N 2 2 333.480 2.059 10 0 EEAELP O[C@@H](C[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F)C[NH+]1CCCCC1 ZINC000843061632 1315832505 /nfs/dbraw/zinc/83/25/05/1315832505.db2.gz GVRHADIQMMCIEX-XJKSGUPXSA-N 2 2 346.393 2.175 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@H]1C(F)(F)F ZINC001278704057 1317801658 /nfs/dbraw/zinc/80/16/58/1317801658.db2.gz OMPPFAYQIDROOQ-ZIAGYGMSSA-N 2 2 344.381 2.076 10 0 EEAELP CCC/C=C\CC[NH+]1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001671144420 1320713374 /nfs/dbraw/zinc/71/33/74/1320713374.db2.gz HQXOSONKWVBBQA-OGZRUICASA-N 2 2 330.476 2.335 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(F)(F)C(F)F)C1)[NH+](C)C 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2.240 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCCO2)C1)c1cccc2[nH+]ccn21 ZINC001571136237 1343163966 /nfs/dbraw/zinc/16/39/66/1343163966.db2.gz CUGWRFCCNMNEIS-BZUAXINKSA-N 2 2 342.443 2.001 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCF)[C@@H]2C1 ZINC001571509650 1343223661 /nfs/dbraw/zinc/22/36/61/1343223661.db2.gz UZAVKBHNNQKURU-USXIJHARSA-N 2 2 349.450 2.209 10 0 EEAELP CCNc1cc(CNC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc[nH+]1 ZINC001646948165 1353065569 /nfs/dbraw/zinc/06/55/69/1353065569.db2.gz ZQVBTIVOCGTABY-OAHLLOKOSA-N 2 2 333.480 2.433 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC[N@@H+]1C1CCCC1 ZINC001649343228 1353488285 /nfs/dbraw/zinc/48/82/85/1353488285.db2.gz IBULOYJEFHQNBO-KDOFPFPSSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[NH+]3C)[nH]n2)CC[N@H+]1C1CCCC1 ZINC001649343228 1353488287 /nfs/dbraw/zinc/48/82/87/1353488287.db2.gz IBULOYJEFHQNBO-KDOFPFPSSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC[NH+]1C1CCCC1 ZINC001649343228 1353488289 /nfs/dbraw/zinc/48/82/89/1353488289.db2.gz IBULOYJEFHQNBO-KDOFPFPSSA-N 2 2 345.491 2.265 10 0 EEAELP C[C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC[NH+]1C1CCCC1 ZINC001649343228 1353488292 /nfs/dbraw/zinc/48/82/92/1353488292.db2.gz IBULOYJEFHQNBO-KDOFPFPSSA-N 2 2 345.491 2.265 10 0 EEAELP CCNc1cc(CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc[nH+]1 ZINC001650533455 1353976988 /nfs/dbraw/zinc/97/69/88/1353976988.db2.gz ASMHFGLJXDTIAO-CYBMUJFWSA-N 2 2 330.436 2.154 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001657048705 1354312935 /nfs/dbraw/zinc/31/29/35/1354312935.db2.gz YPWXGVUGWGDQAG-SJORKVTESA-N 2 2 348.491 2.328 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001657048705 1354312941 /nfs/dbraw/zinc/31/29/41/1354312941.db2.gz YPWXGVUGWGDQAG-SJORKVTESA-N 2 2 348.491 2.328 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1c(F)ccc2F ZINC001660416008 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330.476 2.384 10 0 EEAELP O=C(NC[C@H]1CCC[N@@H+]1CCOCC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001663508051 1354975128 /nfs/dbraw/zinc/97/51/28/1354975128.db2.gz GVIBIVMBKDAHON-MRXNPFEDSA-N 2 2 342.443 2.184 10 0 EEAELP O=C(NC[C@H]1CCC[N@H+]1CCOCC1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001663508051 1354975131 /nfs/dbraw/zinc/97/51/31/1354975131.db2.gz GVIBIVMBKDAHON-MRXNPFEDSA-N 2 2 342.443 2.184 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C\Cl)CCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001665933697 1355411814 /nfs/dbraw/zinc/41/18/14/1355411814.db2.gz JPONQCMYIOVBGO-LEPFTWFBSA-N 2 2 336.867 2.217 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]C[C@H]2CCCCO2)C1 ZINC001666167160 1355473196 /nfs/dbraw/zinc/47/31/96/1355473196.db2.gz DEMDOYCECHESMS-IAGOWNOFSA-N 2 2 348.491 2.048 10 0 EEAELP CCC/C=C\CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001666714161 1355575247 /nfs/dbraw/zinc/57/52/47/1355575247.db2.gz VHXPQFWSEANKDD-SLXDBMQSSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C\CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001666714161 1355575243 /nfs/dbraw/zinc/57/52/43/1355575243.db2.gz VHXPQFWSEANKDD-SLXDBMQSSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C\CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001666714161 1355575248 /nfs/dbraw/zinc/57/52/48/1355575248.db2.gz VHXPQFWSEANKDD-SLXDBMQSSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C\CC[NH+]1CCO[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001666714161 1355575252 /nfs/dbraw/zinc/57/52/52/1355575252.db2.gz VHXPQFWSEANKDD-SLXDBMQSSA-N 2 2 337.508 2.034 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]Cc2cccc(Cl)n2)CCCC1 ZINC001666795807 1355592188 /nfs/dbraw/zinc/59/21/88/1355592188.db2.gz HPZSYPZLMZZCMQ-UHFFFAOYSA-N 2 2 347.850 2.219 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001667003248 1355630878 /nfs/dbraw/zinc/63/08/78/1355630878.db2.gz RRNUGPZYRFQFRX-ZDUSSCGKSA-N 2 2 334.851 2.285 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@@H]([NH2+]CC=C(C)C)[C@H](C)C1 ZINC001667184635 1355667505 /nfs/dbraw/zinc/66/75/05/1355667505.db2.gz SXRXXQKYHOCONR-NVXWUHKLSA-N 2 2 331.460 2.426 10 0 EEAELP C[C@H](CC[NH2+]CCOC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001668137145 1355881592 /nfs/dbraw/zinc/88/15/92/1355881592.db2.gz FENMHKKJWXIPAW-CQSZACIVSA-N 2 2 330.432 2.001 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001668864939 1356027894 /nfs/dbraw/zinc/02/78/94/1356027894.db2.gz MPKYXPLQLKCOPP-SHCNBLLESA-N 2 2 346.475 2.152 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)no1 ZINC001668864939 1356027897 /nfs/dbraw/zinc/02/78/97/1356027897.db2.gz MPKYXPLQLKCOPP-SHCNBLLESA-N 2 2 346.475 2.152 10 0 EEAELP O=C(NCC=CC[NH2+]Cc1ccc(F)cn1)c1cc2c[nH+]ccc2[nH]1 ZINC001668887575 1356036485 /nfs/dbraw/zinc/03/64/85/1356036485.db2.gz NMTSXKORJXWRMI-UPHRSURJSA-N 2 2 339.374 2.173 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+]Cc1cccc(Cl)c1 ZINC001668951036 1356052945 /nfs/dbraw/zinc/05/29/45/1356052945.db2.gz RIXADPPAQUOGJO-NSCUHMNNSA-N 2 2 346.862 2.468 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]Cc1ccc(Cl)s1 ZINC001669140250 1356105073 /nfs/dbraw/zinc/10/50/73/1356105073.db2.gz XQONTDMIFUYODB-IHWYPQMZSA-N 2 2 338.864 2.140 10 0 EEAELP C[NH+](C)[C@H](C(=O)NC/C=C/C[NH2+]Cc1cscn1)c1ccccc1 ZINC001669208765 1356125954 /nfs/dbraw/zinc/12/59/54/1356125954.db2.gz VSSRUWCCUXJPBT-LXXRFIIISA-N 2 2 344.484 2.208 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CCOCC1CCC1 ZINC001675273888 1356956908 /nfs/dbraw/zinc/95/69/08/1356956908.db2.gz CMJUGOVSCZOUAN-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CCOCC1CCC1 ZINC001675273888 1356956911 /nfs/dbraw/zinc/95/69/11/1356956911.db2.gz CMJUGOVSCZOUAN-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC2(C1)CC[N@H+](CC1=CCCCC1)C2 ZINC001686268656 1358374846 /nfs/dbraw/zinc/37/48/46/1358374846.db2.gz JGTHQWFZHUMUCB-UHFFFAOYSA-N 2 2 328.460 2.308 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC2(C1)CC[N@@H+](CC1=CCCCC1)C2 ZINC001686268656 1358374847 /nfs/dbraw/zinc/37/48/47/1358374847.db2.gz JGTHQWFZHUMUCB-UHFFFAOYSA-N 2 2 328.460 2.308 10 0 EEAELP C[C@H]([NH2+]CCCCCF)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001698934361 1405171843 /nfs/dbraw/zinc/17/18/43/1405171843.db2.gz IRRSSHSCESKJHK-JKSUJKDBSA-N 2 2 338.471 2.319 10 0 EEAELP COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001699878214 1405546239 /nfs/dbraw/zinc/54/62/39/1405546239.db2.gz PHNNZESZBHXVEE-AEFFLSMTSA-N 2 2 336.480 2.089 10 0 EEAELP COCCC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001699878214 1405546243 /nfs/dbraw/zinc/54/62/43/1405546243.db2.gz PHNNZESZBHXVEE-AEFFLSMTSA-N 2 2 336.480 2.089 10 0 EEAELP C[C@H]1CN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C[NH2+]CCC1CC1 ZINC001699962619 1405606446 /nfs/dbraw/zinc/60/64/46/1405606446.db2.gz KNHGPMPLIITCSE-GOEBONIOSA-N 2 2 326.444 2.432 10 0 EEAELP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1CCOC1=S ZINC000173512573 765574890 /nfs/dbraw/zinc/57/48/90/765574890.db2.gz RPRGLOBKQXMGQL-UHFFFAOYSA-N 2 2 334.489 2.195 10 0 EEAELP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1CCOC1=S ZINC000173512573 765574896 /nfs/dbraw/zinc/57/48/96/765574896.db2.gz RPRGLOBKQXMGQL-UHFFFAOYSA-N 2 2 334.489 2.195 10 0 EEAELP C[NH+]1CCC(C[NH2+][C@H]2CCCc3[nH]ncc32)(N2CCCCC2)CC1 ZINC000353527693 776309909 /nfs/dbraw/zinc/30/99/09/776309909.db2.gz LQSQJXGXWMVXNI-KRWDZBQOSA-N 2 2 331.508 2.327 10 0 EEAELP CCN1C[C@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000846827953 790609873 /nfs/dbraw/zinc/60/98/73/790609873.db2.gz YJUGOLIMGGQDDA-SFHVURJKSA-N 2 2 331.460 2.424 10 0 EEAELP CCN1C[C@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000846827953 790609877 /nfs/dbraw/zinc/60/98/77/790609877.db2.gz YJUGOLIMGGQDDA-SFHVURJKSA-N 2 2 331.460 2.424 10 0 EEAELP C[NH+](C)CC1(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CCC1 ZINC000907963550 784991749 /nfs/dbraw/zinc/99/17/49/784991749.db2.gz MDVWXLDVHWOJTN-UHFFFAOYSA-N 2 2 341.459 2.209 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000822708341 787349787 /nfs/dbraw/zinc/34/97/87/787349787.db2.gz PBUZJKYPGYYPNC-UHFFFAOYSA-N 2 2 348.278 2.393 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000822708341 787349789 /nfs/dbraw/zinc/34/97/89/787349789.db2.gz PBUZJKYPGYYPNC-UHFFFAOYSA-N 2 2 348.278 2.393 10 0 EEAELP O=C(Cc1cccc(F)c1)N1CCC[N@H+](CCC[NH2+]C2CC2)CC1 ZINC000923309180 789365688 /nfs/dbraw/zinc/36/56/88/789365688.db2.gz LZPHNATWMLAESS-UHFFFAOYSA-N 2 2 333.451 2.045 10 0 EEAELP O=C(Cc1cccc(F)c1)N1CCC[N@@H+](CCC[NH2+]C2CC2)CC1 ZINC000923309180 789365690 /nfs/dbraw/zinc/36/56/90/789365690.db2.gz LZPHNATWMLAESS-UHFFFAOYSA-N 2 2 333.451 2.045 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)nc2N)CC[N@@H+]1C ZINC000929783573 794749493 /nfs/dbraw/zinc/74/94/93/794749493.db2.gz UQDIMMKYWLYLFM-JQWIXIFHSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)nc2N)CC[N@H+]1C ZINC000929783573 794749497 /nfs/dbraw/zinc/74/94/97/794749497.db2.gz UQDIMMKYWLYLFM-JQWIXIFHSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)nc2N)CC[NH+]1C ZINC000929783573 794749500 /nfs/dbraw/zinc/74/95/00/794749500.db2.gz UQDIMMKYWLYLFM-JQWIXIFHSA-N 2 2 327.270 2.341 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)nc2N)CC[NH+]1C ZINC000929783573 794749507 /nfs/dbraw/zinc/74/95/07/794749507.db2.gz UQDIMMKYWLYLFM-JQWIXIFHSA-N 2 2 327.270 2.341 10 0 EEAELP CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922546521 801273388 /nfs/dbraw/zinc/27/33/88/801273388.db2.gz CEOIRRLSHUGTFX-ZDUSSCGKSA-N 2 2 341.525 2.124 10 0 EEAELP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC000922546521 801273395 /nfs/dbraw/zinc/27/33/95/801273395.db2.gz CEOIRRLSHUGTFX-ZDUSSCGKSA-N 2 2 341.525 2.124 10 0 EEAELP CCO[C@@H](C[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1)C[NH+](C)C ZINC000922756116 801824185 /nfs/dbraw/zinc/82/41/85/801824185.db2.gz FRTNISLFLXUNGC-KRWDZBQOSA-N 2 2 332.448 2.142 10 0 EEAELP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001565967948 1125476586 /nfs/dbraw/zinc/47/65/86/1125476586.db2.gz FWEKTEXEZZJELR-RYRKJORJSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001566596425 1125787310 /nfs/dbraw/zinc/78/73/10/1125787310.db2.gz GCWOZNHKYUYCSX-IAGOWNOFSA-N 2 2 330.476 2.461 10 0 EEAELP CC(C)=CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC1 ZINC001566596425 1125787315 /nfs/dbraw/zinc/78/73/15/1125787315.db2.gz GCWOZNHKYUYCSX-IAGOWNOFSA-N 2 2 330.476 2.461 10 0 EEAELP CO[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001436477273 1087946945 /nfs/dbraw/zinc/94/69/45/1087946945.db2.gz ODRYSCMLDVRPOK-HUUCEWRRSA-N 2 2 336.480 2.083 10 0 EEAELP C[N@H+](CCC1CC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001436835674 1088460766 /nfs/dbraw/zinc/46/07/66/1088460766.db2.gz DIQSFGZJQYJASX-ZWKOTPCHSA-N 2 2 344.503 2.416 10 0 EEAELP C[N@@H+](CCC1CC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001436835674 1088460768 /nfs/dbraw/zinc/46/07/68/1088460768.db2.gz DIQSFGZJQYJASX-ZWKOTPCHSA-N 2 2 344.503 2.416 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001437092730 1089048113 /nfs/dbraw/zinc/04/81/13/1089048113.db2.gz RYDGQMJFGNLMFV-WAPJZHGLSA-N 2 2 337.851 2.402 10 0 EEAELP C[C@@H](CC(=O)NCC[N@H+](C)C[C@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001437526156 1089955245 /nfs/dbraw/zinc/95/52/45/1089955245.db2.gz MAPGXTFBGZYRHH-KBPBESRZSA-N 2 2 328.407 2.318 10 0 EEAELP C[C@@H](CC(=O)NCC[N@@H+](C)C[C@H]1CCC(F)(F)C1)n1cc[nH+]c1 ZINC001437526156 1089955261 /nfs/dbraw/zinc/95/52/61/1089955261.db2.gz MAPGXTFBGZYRHH-KBPBESRZSA-N 2 2 328.407 2.318 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2nccs2)C1)[NH+](CC)CC ZINC001438241571 1090721340 /nfs/dbraw/zinc/72/13/40/1090721340.db2.gz WGTXLOYDOUWBSU-CABCVRRESA-N 2 2 338.521 2.296 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2nccs2)C1)[NH+](CC)CC ZINC001438241571 1090721346 /nfs/dbraw/zinc/72/13/46/1090721346.db2.gz WGTXLOYDOUWBSU-CABCVRRESA-N 2 2 338.521 2.296 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC001445568976 1091346296 /nfs/dbraw/zinc/34/62/96/1091346296.db2.gz HGJVKRITLFSVGF-DLBZAZTESA-N 2 2 340.471 2.357 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CCCC1 ZINC001438809389 1091421951 /nfs/dbraw/zinc/42/19/51/1091421951.db2.gz SYEQLGOWCJPVJP-SJLPKXTDSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](C)C[N@H+](C)CCC(F)(F)F)CC2 ZINC001445820263 1091699638 /nfs/dbraw/zinc/69/96/38/1091699638.db2.gz TZFYUZMQURWAMI-DGCLKSJQSA-N 2 2 346.397 2.143 10 0 EEAELP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](C)C[N@@H+](C)CCC(F)(F)F)CC2 ZINC001445820263 1091699641 /nfs/dbraw/zinc/69/96/41/1091699641.db2.gz TZFYUZMQURWAMI-DGCLKSJQSA-N 2 2 346.397 2.143 10 0 EEAELP COc1cccc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001439073093 1091719479 /nfs/dbraw/zinc/71/94/79/1091719479.db2.gz MUSWYICXEWHBKO-CABCVRRESA-N 2 2 330.432 2.137 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(C(F)(F)F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001439185848 1091835134 /nfs/dbraw/zinc/83/51/34/1091835134.db2.gz XJBBBKPLKAKFDN-GFCCVEGCSA-N 2 2 340.349 2.196 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001439221708 1091866670 /nfs/dbraw/zinc/86/66/70/1091866670.db2.gz KAIJBVMEVFDBHY-HOCLYGCPSA-N 2 2 344.434 2.188 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001439240035 1091887147 /nfs/dbraw/zinc/88/71/47/1091887147.db2.gz QXPPCVNRSTUFFL-WMLDXEAASA-N 2 2 326.444 2.135 10 0 EEAELP CO[C@H](C[N@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001439339374 1092039276 /nfs/dbraw/zinc/03/92/76/1092039276.db2.gz JLDUNQQIEADDHP-SCLBCKFNSA-N 2 2 344.459 2.428 10 0 EEAELP CO[C@H](C[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001439339374 1092039284 /nfs/dbraw/zinc/03/92/84/1092039284.db2.gz JLDUNQQIEADDHP-SCLBCKFNSA-N 2 2 344.459 2.428 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001439342550 1092045228 /nfs/dbraw/zinc/04/52/28/1092045228.db2.gz YNSQIVBDZYIRJB-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001439342550 1092045234 /nfs/dbraw/zinc/04/52/34/1092045234.db2.gz YNSQIVBDZYIRJB-RDJZCZTQSA-N 2 2 344.503 2.462 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccsc2)C1 ZINC001439856144 1092881220 /nfs/dbraw/zinc/88/12/20/1092881220.db2.gz PKKIOTIRFHDGAE-KRWDZBQOSA-N 2 2 332.473 2.195 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccsc2)C1 ZINC001439856144 1092881225 /nfs/dbraw/zinc/88/12/25/1092881225.db2.gz PKKIOTIRFHDGAE-KRWDZBQOSA-N 2 2 332.473 2.195 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)n1cc[nH+]c1 ZINC001440304203 1093431123 /nfs/dbraw/zinc/43/11/23/1093431123.db2.gz MBPBXEQOCBPISX-NXOAAHMSSA-N 2 2 348.491 2.134 10 0 EEAELP Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3c[nH+]cc3C)C2)o1 ZINC001440388186 1093561201 /nfs/dbraw/zinc/56/12/01/1093561201.db2.gz ANXIFAJUCPZJMM-HRCADAONSA-N 2 2 345.447 2.124 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001448732078 1093803277 /nfs/dbraw/zinc/80/32/77/1093803277.db2.gz MMKSIJVWHLLCHI-LSDHHAIUSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ncoc1C[N@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001440579592 1093849772 /nfs/dbraw/zinc/84/97/72/1093849772.db2.gz RWWLHVARFOFMCL-UHFFFAOYSA-N 2 2 342.443 2.067 10 0 EEAELP Cc1ncoc1C[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001440579592 1093849781 /nfs/dbraw/zinc/84/97/81/1093849781.db2.gz RWWLHVARFOFMCL-UHFFFAOYSA-N 2 2 342.443 2.067 10 0 EEAELP CC[C@@H](C[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C)OC ZINC001449079979 1094092778 /nfs/dbraw/zinc/09/27/78/1094092778.db2.gz MOTGRAHGNZYWKX-YOEHRIQHSA-N 2 2 344.459 2.428 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001440852084 1094111285 /nfs/dbraw/zinc/11/12/85/1094111285.db2.gz FVJNIEOKLRGRMR-NWDGAFQWSA-N 2 2 336.386 2.153 10 0 EEAELP CC[C@H](C)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001449183065 1094148840 /nfs/dbraw/zinc/14/88/40/1094148840.db2.gz BJAYSXKVXRKOPI-WMLDXEAASA-N 2 2 346.475 2.054 10 0 EEAELP CC[C@H](C)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001449183065 1094148844 /nfs/dbraw/zinc/14/88/44/1094148844.db2.gz BJAYSXKVXRKOPI-WMLDXEAASA-N 2 2 346.475 2.054 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]Cc1cc(C2CC2)no1)NC(=O)Cn1cc[nH+]c1 ZINC001449314144 1094267673 /nfs/dbraw/zinc/26/76/73/1094267673.db2.gz LEHPKYVYWBHIPA-MRXNPFEDSA-N 2 2 345.447 2.069 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441035768 1094330003 /nfs/dbraw/zinc/33/00/03/1094330003.db2.gz XRLYKQNZSXURFB-CJNGLKHVSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441035768 1094330016 /nfs/dbraw/zinc/33/00/16/1094330016.db2.gz XRLYKQNZSXURFB-CJNGLKHVSA-N 2 2 345.447 2.220 10 0 EEAELP C[C@H](NC(=O)CCc1[nH+]ccn1C)C1CC[NH+](C/C=C/Cl)CC1 ZINC001449377126 1094347401 /nfs/dbraw/zinc/34/74/01/1094347401.db2.gz ZWJZASFAJZDRAD-VSZOKUSCSA-N 2 2 338.883 2.322 10 0 EEAELP CCc1nc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)o1 ZINC001441328425 1094788154 /nfs/dbraw/zinc/78/81/54/1094788154.db2.gz QMBJUGXAFAEUDY-IYBDPMFKSA-N 2 2 348.491 2.062 10 0 EEAELP CCc1nc(C)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)o1 ZINC001441328425 1094788164 /nfs/dbraw/zinc/78/81/64/1094788164.db2.gz QMBJUGXAFAEUDY-IYBDPMFKSA-N 2 2 348.491 2.062 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001441657831 1095622280 /nfs/dbraw/zinc/62/22/80/1095622280.db2.gz XIQLXYWRSLBYRS-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)oc1C ZINC001442006903 1096210707 /nfs/dbraw/zinc/21/07/07/1096210707.db2.gz YOAICACCLGEMLE-CJNGLKHVSA-N 2 2 336.480 2.149 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)oc1C ZINC001442006903 1096210713 /nfs/dbraw/zinc/21/07/13/1096210713.db2.gz YOAICACCLGEMLE-CJNGLKHVSA-N 2 2 336.480 2.149 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001442072911 1096286703 /nfs/dbraw/zinc/28/67/03/1096286703.db2.gz QSIBQUGIFWTSGW-PYLYLYNFSA-N 2 2 332.835 2.344 10 0 EEAELP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001442122679 1096359079 /nfs/dbraw/zinc/35/90/79/1096359079.db2.gz KQXOABJGTPEGFZ-HOTGVXAUSA-N 2 2 332.492 2.246 10 0 EEAELP O=C(NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001443241869 1097711724 /nfs/dbraw/zinc/71/17/24/1097711724.db2.gz VSKVGWVFOSTKAA-MSOLQXFVSA-N 2 2 344.503 2.464 10 0 EEAELP O=C(NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001443241869 1097711729 /nfs/dbraw/zinc/71/17/29/1097711729.db2.gz VSKVGWVFOSTKAA-MSOLQXFVSA-N 2 2 344.503 2.464 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001443256674 1097733324 /nfs/dbraw/zinc/73/33/24/1097733324.db2.gz DEQZJCMNJJPSNS-CQSZACIVSA-N 2 2 332.473 2.053 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001443256674 1097733327 /nfs/dbraw/zinc/73/33/27/1097733327.db2.gz DEQZJCMNJJPSNS-CQSZACIVSA-N 2 2 332.473 2.053 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCc2ccc(F)cc21 ZINC001443695151 1098202217 /nfs/dbraw/zinc/20/22/17/1098202217.db2.gz UOUWLBLRISAQSJ-JENIJYKNSA-N 2 2 345.462 2.438 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2[C@@H]1CCc2ccc(F)cc21 ZINC001443695151 1098202224 /nfs/dbraw/zinc/20/22/24/1098202224.db2.gz UOUWLBLRISAQSJ-JENIJYKNSA-N 2 2 345.462 2.438 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H]1CCc2ccc(F)cc21 ZINC001443695151 1098202230 /nfs/dbraw/zinc/20/22/30/1098202230.db2.gz UOUWLBLRISAQSJ-JENIJYKNSA-N 2 2 345.462 2.438 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2[C@@H]1CCc2ccc(F)cc21 ZINC001443695151 1098202233 /nfs/dbraw/zinc/20/22/33/1098202233.db2.gz UOUWLBLRISAQSJ-JENIJYKNSA-N 2 2 345.462 2.438 10 0 EEAELP CC[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1c(C)noc1C ZINC001444010577 1098526934 /nfs/dbraw/zinc/52/69/34/1098526934.db2.gz PSHREVVQJURWKD-WFASDCNBSA-N 2 2 333.436 2.124 10 0 EEAELP COCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]c[nH+]c3C)C2)CC1 ZINC001479504074 1098571526 /nfs/dbraw/zinc/57/15/26/1098571526.db2.gz RBBUAPVEFLNXSS-HNNXBMFYSA-N 2 2 348.491 2.000 10 0 EEAELP CCC[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001479624518 1098648435 /nfs/dbraw/zinc/64/84/35/1098648435.db2.gz ADXXCYCTFFIQBF-KBPBESRZSA-N 2 2 346.397 2.300 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@H]1CCc2ccccc21 ZINC001444359527 1098923325 /nfs/dbraw/zinc/92/33/25/1098923325.db2.gz UGXIQDGMAGQBJA-YJBOKZPZSA-N 2 2 326.444 2.303 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C/C(Cl)=C/Cl ZINC001479845491 1099139474 /nfs/dbraw/zinc/13/94/74/1099139474.db2.gz KHQOBLIVQBVBOB-NKMUALHBSA-N 2 2 336.307 2.474 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C/C(Cl)=C/Cl ZINC001479845491 1099139477 /nfs/dbraw/zinc/13/94/77/1099139477.db2.gz KHQOBLIVQBVBOB-NKMUALHBSA-N 2 2 336.307 2.474 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C/C(Cl)=C/Cl ZINC001479845491 1099139481 /nfs/dbraw/zinc/13/94/81/1099139481.db2.gz KHQOBLIVQBVBOB-NKMUALHBSA-N 2 2 336.307 2.474 10 0 EEAELP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C/C(Cl)=C/Cl ZINC001479845491 1099139485 /nfs/dbraw/zinc/13/94/85/1099139485.db2.gz KHQOBLIVQBVBOB-NKMUALHBSA-N 2 2 336.307 2.474 10 0 EEAELP Cc1nsc(C)c1C[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1 ZINC001444777401 1099679307 /nfs/dbraw/zinc/67/93/07/1099679307.db2.gz PKVXJVVNMRQDPZ-HNNXBMFYSA-N 2 2 349.504 2.277 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1)n1cc[nH+]c1 ZINC001480162049 1099735226 /nfs/dbraw/zinc/73/52/26/1099735226.db2.gz JJVWVNKCGNOMMU-BRWVUGGUSA-N 2 2 342.443 2.150 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C(C)C)no1 ZINC001444921358 1100009545 /nfs/dbraw/zinc/00/95/45/1100009545.db2.gz WBNIFJODJUHRAQ-BBRMVZONSA-N 2 2 333.436 2.061 10 0 EEAELP COCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001480373727 1100155675 /nfs/dbraw/zinc/15/56/75/1100155675.db2.gz RXYMGJHKIIELMP-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP COCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001480373727 1100155679 /nfs/dbraw/zinc/15/56/79/1100155679.db2.gz RXYMGJHKIIELMP-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)CCc1[nH+]ccn1C ZINC001445013277 1100162220 /nfs/dbraw/zinc/16/22/20/1100162220.db2.gz JPVGFWDNIFCMLX-SFHVURJKSA-N 2 2 340.471 2.430 10 0 EEAELP CN(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)CCc1[nH+]ccn1C ZINC001445013277 1100162228 /nfs/dbraw/zinc/16/22/28/1100162228.db2.gz JPVGFWDNIFCMLX-SFHVURJKSA-N 2 2 340.471 2.430 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001480490866 1100302675 /nfs/dbraw/zinc/30/26/75/1100302675.db2.gz UEDHKTZEEHGVCP-HOCLYGCPSA-N 2 2 344.434 2.188 10 0 EEAELP CCc1nc(C[NH2+]CC2(NC(=O)Cn3cc[nH+]c3)CCCC2)cs1 ZINC001495210962 1100893947 /nfs/dbraw/zinc/89/39/47/1100893947.db2.gz KFNNIZCJZKAQMS-UHFFFAOYSA-N 2 2 347.488 2.121 10 0 EEAELP Cc1csc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)n1 ZINC001495393642 1101113866 /nfs/dbraw/zinc/11/38/66/1101113866.db2.gz QIZYRGDMEHFGFV-HNNXBMFYSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc2nc(C)oc2C)c[nH+]1 ZINC001495690691 1101442675 /nfs/dbraw/zinc/44/26/75/1101442675.db2.gz HKMDEMKDFMCMCA-GFCCVEGCSA-N 2 2 347.463 2.074 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001497218390 1102142382 /nfs/dbraw/zinc/14/23/82/1102142382.db2.gz OZRPFLMBAFNFTR-SJORKVTESA-N 2 2 340.471 2.439 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(C2CC2)cc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001496168918 1102161541 /nfs/dbraw/zinc/16/15/41/1102161541.db2.gz GVIKTZYBMFRUQC-CQSZACIVSA-N 2 2 326.444 2.466 10 0 EEAELP O=C(NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497602484 1102733627 /nfs/dbraw/zinc/73/36/27/1102733627.db2.gz RLJNOJBJULGTRI-LLCLCNPPSA-N 2 2 338.402 2.211 10 0 EEAELP O=C(NC/C=C/C[NH2+]C[C@H]1CCC(F)(F)C1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497602484 1102733635 /nfs/dbraw/zinc/73/36/35/1102733635.db2.gz RLJNOJBJULGTRI-LLCLCNPPSA-N 2 2 338.402 2.211 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001497839924 1103176452 /nfs/dbraw/zinc/17/64/52/1103176452.db2.gz KCVMNYHAEBDIQS-TZMCWYRMSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)Cn2cc[nH+]c2)s1 ZINC001447985411 1103739080 /nfs/dbraw/zinc/73/90/80/1103739080.db2.gz COMDJOYMODINGN-UHFFFAOYSA-N 2 2 349.504 2.231 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)oc1C ZINC001448069010 1103933915 /nfs/dbraw/zinc/93/39/15/1103933915.db2.gz RFNJEEJFBOXAEL-CQSZACIVSA-N 2 2 348.491 2.104 10 0 EEAELP Cc1nc(C[N@H+](C)[C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)oc1C ZINC001448069010 1103933927 /nfs/dbraw/zinc/93/39/27/1103933927.db2.gz RFNJEEJFBOXAEL-CQSZACIVSA-N 2 2 348.491 2.104 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cc(C)on2)C1)[NH+](CC)CC ZINC001494856642 1104461404 /nfs/dbraw/zinc/46/14/04/1104461404.db2.gz VEPDFRSNUGIIDB-DLBZAZTESA-N 2 2 336.480 2.136 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1)[NH+](CC)CC ZINC001494856642 1104461407 /nfs/dbraw/zinc/46/14/07/1104461407.db2.gz VEPDFRSNUGIIDB-DLBZAZTESA-N 2 2 336.480 2.136 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001498062404 1106867431 /nfs/dbraw/zinc/86/74/31/1106867431.db2.gz GYIXEKQOEGWZSP-JSGCOSHPSA-N 2 2 348.397 2.018 10 0 EEAELP CCc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001480734720 1107003612 /nfs/dbraw/zinc/00/36/12/1107003612.db2.gz LCMKPWGWGXOUQT-HNNXBMFYSA-N 2 2 338.521 2.080 10 0 EEAELP CCc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cs1 ZINC001480734720 1107003627 /nfs/dbraw/zinc/00/36/27/1107003627.db2.gz LCMKPWGWGXOUQT-HNNXBMFYSA-N 2 2 338.521 2.080 10 0 EEAELP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493110338 1107513867 /nfs/dbraw/zinc/51/38/67/1107513867.db2.gz HBBIYWFMUKKTDD-DLBZAZTESA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001493110338 1107513877 /nfs/dbraw/zinc/51/38/77/1107513877.db2.gz HBBIYWFMUKKTDD-DLBZAZTESA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](C[N@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]cn1C ZINC001498440573 1107533661 /nfs/dbraw/zinc/53/36/61/1107533661.db2.gz MFPLBDCPKBZCCX-KGLIPLIRSA-N 2 2 342.434 2.225 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]cn1C ZINC001498440573 1107533665 /nfs/dbraw/zinc/53/36/65/1107533665.db2.gz MFPLBDCPKBZCCX-KGLIPLIRSA-N 2 2 342.434 2.225 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001498782226 1108092549 /nfs/dbraw/zinc/09/25/49/1108092549.db2.gz SGWZDOMSKASEEU-RDJZCZTQSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1nc(N2CCC(O)(C[NH+]3CCCCC3)CC2)c2c([nH+]1)CCCC2 ZINC001458701237 1109940268 /nfs/dbraw/zinc/94/02/68/1109940268.db2.gz IQYBQEXCPXJOMZ-UHFFFAOYSA-N 2 2 344.503 2.481 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1Cc1nc2ccccc2o1)C(=O)CCC[NH+](C)C ZINC001479241923 1110666221 /nfs/dbraw/zinc/66/62/21/1110666221.db2.gz SUNVJXGQXJFFKL-OAHLLOKOSA-N 2 2 344.459 2.202 10 0 EEAELP CN(C[C@H]1CC[N@H+]1Cc1nc2ccccc2o1)C(=O)CCC[NH+](C)C ZINC001479241923 1110666222 /nfs/dbraw/zinc/66/62/22/1110666222.db2.gz SUNVJXGQXJFFKL-OAHLLOKOSA-N 2 2 344.459 2.202 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001479298786 1110677707 /nfs/dbraw/zinc/67/77/07/1110677707.db2.gz QJEASRUTXYGLGD-ZXFNITATSA-N 2 2 347.507 2.321 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001479298786 1110677708 /nfs/dbraw/zinc/67/77/08/1110677708.db2.gz QJEASRUTXYGLGD-ZXFNITATSA-N 2 2 347.507 2.321 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC[C@H](C)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001503594408 1113892949 /nfs/dbraw/zinc/89/29/49/1113892949.db2.gz IYTHJQQTPKXMRN-CMPLNLGQSA-N 2 2 347.290 2.329 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001505405977 1113942107 /nfs/dbraw/zinc/94/21/07/1113942107.db2.gz HLPUIPHRAYPLDB-CFBOXQHNSA-N 2 2 336.867 2.169 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001505633775 1114098679 /nfs/dbraw/zinc/09/86/79/1114098679.db2.gz SQSMSERTWAHFNA-GHMZBOCLSA-N 2 2 327.388 2.156 10 0 EEAELP Cc1csc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2C)n1 ZINC001505709816 1114144600 /nfs/dbraw/zinc/14/46/00/1114144600.db2.gz JPRJJLZZBUSSES-KGLIPLIRSA-N 2 2 349.504 2.420 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1cccc(Cl)c1F ZINC001505720610 1114150635 /nfs/dbraw/zinc/15/06/35/1114150635.db2.gz PJTRULUMVCJVSY-WDEREUQCSA-N 2 2 338.814 2.428 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)cc1 ZINC001505733692 1114157677 /nfs/dbraw/zinc/15/76/77/1114157677.db2.gz WQZAVSJFIKEDJC-SJORKVTESA-N 2 2 342.487 2.387 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)CCc1c[nH+]cn1C ZINC001505847527 1114230627 /nfs/dbraw/zinc/23/06/27/1114230627.db2.gz TZRWOWHXGMEXHY-YVMONPNESA-N 2 2 326.872 2.179 10 0 EEAELP CCn1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001505920269 1114277511 /nfs/dbraw/zinc/27/75/11/1114277511.db2.gz JFSRBLZAVGGIBF-INIZCTEOSA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)n1 ZINC001505920269 1114277514 /nfs/dbraw/zinc/27/75/14/1114277514.db2.gz JFSRBLZAVGGIBF-INIZCTEOSA-N 2 2 349.523 2.104 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC001506027843 1114356406 /nfs/dbraw/zinc/35/64/06/1114356406.db2.gz OYGPSZMRUFAETB-HZPDHXFCSA-N 2 2 340.471 2.194 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[N@@H+](C)C[C@@H]1CCc2ccccc2C1 ZINC001506027843 1114356411 /nfs/dbraw/zinc/35/64/11/1114356411.db2.gz OYGPSZMRUFAETB-HZPDHXFCSA-N 2 2 340.471 2.194 10 0 EEAELP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001507015727 1115055141 /nfs/dbraw/zinc/05/51/41/1115055141.db2.gz QBKUZJYZSOLVIY-DLBZAZTESA-N 2 2 330.476 2.072 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CCCCC1 ZINC001507093689 1115104726 /nfs/dbraw/zinc/10/47/26/1115104726.db2.gz YQOQMLUJNGOHCQ-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001507132633 1115125830 /nfs/dbraw/zinc/12/58/30/1115125830.db2.gz WADSQCYRTDFQNG-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cs1 ZINC001507132633 1115125833 /nfs/dbraw/zinc/12/58/33/1115125833.db2.gz WADSQCYRTDFQNG-QWHCGFSZSA-N 2 2 349.504 2.032 10 0 EEAELP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1cccc(Cl)n1 ZINC001507150430 1115135164 /nfs/dbraw/zinc/13/51/64/1115135164.db2.gz WITUQRDRRARUST-LBPRGKRZSA-N 2 2 349.866 2.372 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)o1 ZINC001508028470 1115392490 /nfs/dbraw/zinc/39/24/90/1115392490.db2.gz OYMXRVNIUHFTAG-LSDHHAIUSA-N 2 2 336.480 2.260 10 0 EEAELP Cc1cnc(C[N@H+]2CC=C(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC001508231160 1115455843 /nfs/dbraw/zinc/45/58/43/1115455843.db2.gz WOSCQHZIHMCBAX-GJZGRUSLSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1cnc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC001508231160 1115455845 /nfs/dbraw/zinc/45/58/45/1115455845.db2.gz WOSCQHZIHMCBAX-GJZGRUSLSA-N 2 2 346.475 2.104 10 0 EEAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]Cc1cnc(C)s1 ZINC001567969226 1124210700 /nfs/dbraw/zinc/21/07/00/1124210700.db2.gz SQCWASWDXHBZCT-ZDUSSCGKSA-N 2 2 343.456 2.397 10 0 EEAELP Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001568926675 1124956417 /nfs/dbraw/zinc/95/64/17/1124956417.db2.gz HUFSFTKKRDSZCI-WAYWQWQTSA-N 2 2 345.447 2.074 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)c2ccc(C[NH+](C)C)cc2)no1 ZINC001568937608 1124970570 /nfs/dbraw/zinc/97/05/70/1124970570.db2.gz YLYKFKJHVLGTEV-SNAWJCMRSA-N 2 2 342.443 2.120 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000339659940 282080132 /nfs/dbraw/zinc/08/01/32/282080132.db2.gz JACZMKCKPBODKL-GDBMZVCRSA-N 2 2 349.500 2.490 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1C[C@@H](C)CS(C)(=O)=O ZINC000339659940 282080133 /nfs/dbraw/zinc/08/01/33/282080133.db2.gz JACZMKCKPBODKL-GDBMZVCRSA-N 2 2 349.500 2.490 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3(c4ccccc4)CCC3)C2)C1 ZINC000429039752 283107182 /nfs/dbraw/zinc/10/71/82/283107182.db2.gz JAIXBMJSSXLICA-LJQANCHMSA-N 2 2 327.472 2.210 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NC3(c4ccccc4)CCC3)C2)C1 ZINC000429039752 283107185 /nfs/dbraw/zinc/10/71/85/283107185.db2.gz JAIXBMJSSXLICA-LJQANCHMSA-N 2 2 327.472 2.210 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)C1 ZINC000429039752 283107187 /nfs/dbraw/zinc/10/71/87/283107187.db2.gz JAIXBMJSSXLICA-LJQANCHMSA-N 2 2 327.472 2.210 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NC3(c4ccccc4)CCC3)C2)C1 ZINC000429039752 283107188 /nfs/dbraw/zinc/10/71/88/283107188.db2.gz JAIXBMJSSXLICA-LJQANCHMSA-N 2 2 327.472 2.210 10 0 EEAELP CCCOc1c(Cl)cc(C[NH2+]CC[NH2+]CCO)cc1OCC ZINC000020968124 202060090 /nfs/dbraw/zinc/06/00/90/202060090.db2.gz YSHUFCVLWVSLGQ-UHFFFAOYSA-N 2 2 330.856 2.199 10 0 EEAELP c1cn(-c2ccc(C[NH2+][C@H]3CCCN(c4cccnn4)C3)cc2)c[nH+]1 ZINC000069738317 202290724 /nfs/dbraw/zinc/29/07/24/202290724.db2.gz ODZDPQKWULJGSP-KRWDZBQOSA-N 2 2 334.427 2.421 10 0 EEAELP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)C1 ZINC000071870614 202351276 /nfs/dbraw/zinc/35/12/76/202351276.db2.gz RZJGMFLNEXWFDO-INIZCTEOSA-N 2 2 344.484 2.475 10 0 EEAELP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)C1 ZINC000071870614 202351281 /nfs/dbraw/zinc/35/12/81/202351281.db2.gz RZJGMFLNEXWFDO-INIZCTEOSA-N 2 2 344.484 2.475 10 0 EEAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000268869459 201228795 /nfs/dbraw/zinc/22/87/95/201228795.db2.gz FYVYQPVMMSPVJZ-ZBFHGGJFSA-N 2 2 341.446 2.445 10 0 EEAELP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000268869459 201228797 /nfs/dbraw/zinc/22/87/97/201228797.db2.gz FYVYQPVMMSPVJZ-ZBFHGGJFSA-N 2 2 341.446 2.445 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274908601 201273434 /nfs/dbraw/zinc/27/34/34/201273434.db2.gz MOSJNUYQCQCKIE-SESVDKBCSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274908601 201273437 /nfs/dbraw/zinc/27/34/37/201273437.db2.gz MOSJNUYQCQCKIE-SESVDKBCSA-N 3 2 345.531 2.333 10 0 EEAELP CC[C@@H](C(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)[NH+](C)C ZINC000275543907 201282727 /nfs/dbraw/zinc/28/27/27/201282727.db2.gz GXCYSVGWVQXLRD-CVEARBPZSA-N 2 2 346.475 2.002 10 0 EEAELP C[NH+]1CCC(CNC(=O)CCC(F)(F)F)([NH+]2CCCCC2)CC1 ZINC000080661057 201355532 /nfs/dbraw/zinc/35/55/32/201355532.db2.gz FNZPBUPDAVAOKZ-UHFFFAOYSA-N 2 2 335.414 2.395 10 0 EEAELP Fc1cccc(N2CCC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422755261 240207087 /nfs/dbraw/zinc/20/70/87/240207087.db2.gz GNEIIXAEFVTJPY-YTQUADARSA-N 2 2 333.451 2.151 10 0 EEAELP CCOc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OCC ZINC000422761438 240211345 /nfs/dbraw/zinc/21/13/45/240211345.db2.gz MNUZCMSXQJRLLR-VQTJNVASSA-N 2 2 348.487 2.383 10 0 EEAELP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422815702 240241210 /nfs/dbraw/zinc/24/12/10/240241210.db2.gz YCMOHCANKPBIAJ-QGZVFWFLSA-N 3 2 339.487 2.357 10 0 EEAELP C(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1nc2c(s1)CCCC2 ZINC000422906335 240287037 /nfs/dbraw/zinc/28/70/37/240287037.db2.gz JQQAJYOXQVQJNP-MAUKXSAKSA-N 2 2 335.517 2.311 10 0 EEAELP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)c(F)c2)c2ccccc21 ZINC000423050579 240344176 /nfs/dbraw/zinc/34/41/76/240344176.db2.gz MLGCROFJDSHQDR-ZWKOTPCHSA-N 2 2 342.418 2.292 10 0 EEAELP c1cc2n(n1)C[C@@H](C[NH2+][C@H]1CCC[N@H+](Cc3ccccc3)C1)CN2 ZINC000229543089 242175962 /nfs/dbraw/zinc/17/59/62/242175962.db2.gz KTOIJKKDXJUIJQ-ROUUACIJSA-N 2 2 325.460 2.179 10 0 EEAELP c1cc2n(n1)C[C@@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)C1)CN2 ZINC000229543089 242175965 /nfs/dbraw/zinc/17/59/65/242175965.db2.gz KTOIJKKDXJUIJQ-ROUUACIJSA-N 2 2 325.460 2.179 10 0 EEAELP O=C1CCCN1CCC[N@@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069815377 203054022 /nfs/dbraw/zinc/05/40/22/203054022.db2.gz QNRMBYPNOGAJNX-UHFFFAOYSA-N 2 2 341.459 2.088 10 0 EEAELP O=C1CCCN1CCC[N@H+]1CCCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000069815377 203054025 /nfs/dbraw/zinc/05/40/25/203054025.db2.gz QNRMBYPNOGAJNX-UHFFFAOYSA-N 2 2 341.459 2.088 10 0 EEAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCc2cn(C)c[nH+]2)c1 ZINC000459177264 245020833 /nfs/dbraw/zinc/02/08/33/245020833.db2.gz MMGFZNLVMQURPK-UHFFFAOYSA-N 2 2 343.475 2.044 10 0 EEAELP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000460366313 245330146 /nfs/dbraw/zinc/33/01/46/245330146.db2.gz YHNHAHZNVTYMED-IAGOWNOFSA-N 2 2 339.524 2.018 10 0 EEAELP CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177098444 207293161 /nfs/dbraw/zinc/29/31/61/207293161.db2.gz LWZVMRCYDQBGOH-MRXNPFEDSA-N 2 2 327.432 2.148 10 0 EEAELP CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000177098444 207293165 /nfs/dbraw/zinc/29/31/65/207293165.db2.gz LWZVMRCYDQBGOH-MRXNPFEDSA-N 2 2 327.432 2.148 10 0 EEAELP c1cn(-c2ccc(C[NH+]3CCC(Nc4cccnn4)CC3)cn2)c[nH+]1 ZINC000177127022 207297002 /nfs/dbraw/zinc/29/70/02/207297002.db2.gz DEFJRAQFKRPWMW-UHFFFAOYSA-N 2 2 335.415 2.134 10 0 EEAELP Brc1csc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422894596 532981972 /nfs/dbraw/zinc/98/19/72/532981972.db2.gz CLUSSQMXEQHWRX-QWHCGFSZSA-N 2 2 331.279 2.367 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)nc[nH+]1 ZINC000183898018 533053789 /nfs/dbraw/zinc/05/37/89/533053789.db2.gz VDCNXJYWGVDCRT-KBPBESRZSA-N 2 2 349.479 2.197 10 0 EEAELP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328621773 258035383 /nfs/dbraw/zinc/03/53/83/258035383.db2.gz AUCYGEBDBGDDAR-PKOBYXMFSA-N 3 2 344.507 2.330 10 0 EEAELP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328621773 258035384 /nfs/dbraw/zinc/03/53/84/258035384.db2.gz AUCYGEBDBGDDAR-PKOBYXMFSA-N 3 2 344.507 2.330 10 0 EEAELP Cc1[nH+]ccn1CCC[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328621773 258035385 /nfs/dbraw/zinc/03/53/85/258035385.db2.gz AUCYGEBDBGDDAR-PKOBYXMFSA-N 3 2 344.507 2.330 10 0 EEAELP Cc1[nH+]ccn1CCC[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328621773 258035387 /nfs/dbraw/zinc/03/53/87/258035387.db2.gz AUCYGEBDBGDDAR-PKOBYXMFSA-N 3 2 344.507 2.330 10 0 EEAELP CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000190641068 152214280 /nfs/dbraw/zinc/21/42/80/152214280.db2.gz WQBIWNHDLCZUAS-INIZCTEOSA-N 2 2 327.494 2.261 10 0 EEAELP CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000190641068 152214281 /nfs/dbraw/zinc/21/42/81/152214281.db2.gz WQBIWNHDLCZUAS-INIZCTEOSA-N 2 2 327.494 2.261 10 0 EEAELP COCCN(C)c1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)cn1 ZINC000191216542 152242959 /nfs/dbraw/zinc/24/29/59/152242959.db2.gz VPMXUBUYWYQDJD-UHFFFAOYSA-N 2 2 332.492 2.224 10 0 EEAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374205780 154004172 /nfs/dbraw/zinc/00/41/72/154004172.db2.gz AHWUCTGSOSQMQC-CRAIPNDOSA-N 2 2 348.491 2.301 10 0 EEAELP C[NH+]1CCC(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000374316877 154048324 /nfs/dbraw/zinc/04/83/24/154048324.db2.gz ZIXNIHMPJIYRHY-MRXNPFEDSA-N 2 2 330.476 2.267 10 0 EEAELP CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC[N@@H+]1C[C@H](C)O ZINC000248820920 160362426 /nfs/dbraw/zinc/36/24/26/160362426.db2.gz FNYUTEYHXIEGSP-HKUYNNGSSA-N 2 2 342.487 2.458 10 0 EEAELP CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC[N@H+]1C[C@H](C)O ZINC000248820920 160362428 /nfs/dbraw/zinc/36/24/28/160362428.db2.gz FNYUTEYHXIEGSP-HKUYNNGSSA-N 2 2 342.487 2.458 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@H]1n1cc[nH+]c1 ZINC000252656383 160392705 /nfs/dbraw/zinc/39/27/05/160392705.db2.gz CZJDEMPESWTJTG-TZMCWYRMSA-N 2 2 333.823 2.453 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@H]1n1cc[nH+]c1 ZINC000252656383 160392706 /nfs/dbraw/zinc/39/27/06/160392706.db2.gz CZJDEMPESWTJTG-TZMCWYRMSA-N 2 2 333.823 2.453 10 0 EEAELP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000186221037 160063482 /nfs/dbraw/zinc/06/34/82/160063482.db2.gz ZKYWCSJRAGYVJW-HNNXBMFYSA-N 2 2 345.447 2.193 10 0 EEAELP CCOC(=O)c1nn(C)cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000186221037 160063484 /nfs/dbraw/zinc/06/34/84/160063484.db2.gz ZKYWCSJRAGYVJW-HNNXBMFYSA-N 2 2 345.447 2.193 10 0 EEAELP NC(=O)c1coc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000187705346 160107920 /nfs/dbraw/zinc/10/79/20/160107920.db2.gz XPRFCZKPUQTJHJ-UHFFFAOYSA-N 2 2 327.428 2.175 10 0 EEAELP C[N@@H+]1CCC[C@H]1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000245552282 160241697 /nfs/dbraw/zinc/24/16/97/160241697.db2.gz CQELSOHKNSKTJI-BZSNNMDCSA-N 2 2 337.895 2.396 10 0 EEAELP C[N@H+]1CCC[C@H]1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000245552282 160241699 /nfs/dbraw/zinc/24/16/99/160241699.db2.gz CQELSOHKNSKTJI-BZSNNMDCSA-N 2 2 337.895 2.396 10 0 EEAELP C[NH+]1CCC[C@H]1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000245552282 160241703 /nfs/dbraw/zinc/24/17/03/160241703.db2.gz CQELSOHKNSKTJI-BZSNNMDCSA-N 2 2 337.895 2.396 10 0 EEAELP C[NH+]1CCC[C@H]1CN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000245552282 160241705 /nfs/dbraw/zinc/24/17/05/160241705.db2.gz CQELSOHKNSKTJI-BZSNNMDCSA-N 2 2 337.895 2.396 10 0 EEAELP C[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245722752 160249929 /nfs/dbraw/zinc/24/99/29/160249929.db2.gz RNOZZADBVYWBKJ-LSDHHAIUSA-N 2 2 342.846 2.085 10 0 EEAELP C[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000245722752 160249930 /nfs/dbraw/zinc/24/99/30/160249930.db2.gz RNOZZADBVYWBKJ-LSDHHAIUSA-N 2 2 342.846 2.085 10 0 EEAELP C[C@@H]1CC[C@H](CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000245885211 160255970 /nfs/dbraw/zinc/25/59/70/160255970.db2.gz IMWCYAKIPPGOEI-BSLJZLGVSA-N 2 2 349.519 2.104 10 0 EEAELP C[C@@H]1CC[C@H](CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000245885211 160255971 /nfs/dbraw/zinc/25/59/71/160255971.db2.gz IMWCYAKIPPGOEI-BSLJZLGVSA-N 2 2 349.519 2.104 10 0 EEAELP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000246887217 160299610 /nfs/dbraw/zinc/29/96/10/160299610.db2.gz LYMMXPOMIXBCIW-NVXWUHKLSA-N 2 2 341.459 2.003 10 0 EEAELP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCc3cn4ccccc4[nH+]3)CC[C@H]21 ZINC000246887217 160299611 /nfs/dbraw/zinc/29/96/11/160299611.db2.gz LYMMXPOMIXBCIW-NVXWUHKLSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1F ZINC000247076776 160308816 /nfs/dbraw/zinc/30/88/16/160308816.db2.gz OXTBVPOWICQUGA-HZPDHXFCSA-N 2 2 333.407 2.235 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1F ZINC000247076776 160308817 /nfs/dbraw/zinc/30/88/17/160308817.db2.gz OXTBVPOWICQUGA-HZPDHXFCSA-N 2 2 333.407 2.235 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000247394070 160323297 /nfs/dbraw/zinc/32/32/97/160323297.db2.gz XNLZHLYTKHYZQF-HZPDHXFCSA-N 2 2 333.432 2.253 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000247394070 160323298 /nfs/dbraw/zinc/32/32/98/160323298.db2.gz XNLZHLYTKHYZQF-HZPDHXFCSA-N 2 2 333.432 2.253 10 0 EEAELP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000248072757 160338229 /nfs/dbraw/zinc/33/82/29/160338229.db2.gz MQKABKQUCUXCBW-IRXDYDNUSA-N 2 2 347.507 2.116 10 0 EEAELP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000248072757 160338231 /nfs/dbraw/zinc/33/82/31/160338231.db2.gz MQKABKQUCUXCBW-IRXDYDNUSA-N 2 2 347.507 2.116 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000342819399 161093174 /nfs/dbraw/zinc/09/31/74/161093174.db2.gz BGUSEBLITMVKQN-UHFFFAOYSA-N 2 2 325.412 2.499 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cn(C(C)C)nc2C)CC1 ZINC000343596839 161150106 /nfs/dbraw/zinc/15/01/06/161150106.db2.gz DKGZZOSFVDRORY-UHFFFAOYSA-N 2 2 329.448 2.498 10 0 EEAELP CC[N@H+](CCCNC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000356103099 163334515 /nfs/dbraw/zinc/33/45/15/163334515.db2.gz YGVTUWDZSFEHKG-UHFFFAOYSA-N 2 2 341.459 2.131 10 0 EEAELP CC[N@@H+](CCCNC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000356103099 163334517 /nfs/dbraw/zinc/33/45/17/163334517.db2.gz YGVTUWDZSFEHKG-UHFFFAOYSA-N 2 2 341.459 2.131 10 0 EEAELP Fc1ccc(Cn2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)cn2)cc1 ZINC000368090920 166049468 /nfs/dbraw/zinc/04/94/68/166049468.db2.gz UMEIXLCUSAWDFQ-MRXNPFEDSA-N 2 2 325.391 2.441 10 0 EEAELP Fc1ccc(Cn2cc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)cn2)cc1 ZINC000368090920 166049470 /nfs/dbraw/zinc/04/94/70/166049470.db2.gz UMEIXLCUSAWDFQ-MRXNPFEDSA-N 2 2 325.391 2.441 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(N2CCOCC2)c1 ZINC000368099608 166050402 /nfs/dbraw/zinc/05/04/02/166050402.db2.gz GGVNNOISTAJHIH-GDBMZVCRSA-N 2 2 326.444 2.454 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc(N2CCOCC2)c1 ZINC000368099608 166050404 /nfs/dbraw/zinc/05/04/04/166050404.db2.gz GGVNNOISTAJHIH-GDBMZVCRSA-N 2 2 326.444 2.454 10 0 EEAELP CC[C@H]1COCC[N@@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000360747885 164373808 /nfs/dbraw/zinc/37/38/08/164373808.db2.gz PSRVUUDAZSITOU-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP CC[C@H]1COCC[N@H+]1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000360747885 164373810 /nfs/dbraw/zinc/37/38/10/164373810.db2.gz PSRVUUDAZSITOU-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368103375 166051936 /nfs/dbraw/zinc/05/19/36/166051936.db2.gz VIRPPOKYJIROOF-DOMZBBRYSA-N 2 2 348.472 2.379 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368103375 166051938 /nfs/dbraw/zinc/05/19/38/166051938.db2.gz VIRPPOKYJIROOF-DOMZBBRYSA-N 2 2 348.472 2.379 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000368296323 166084866 /nfs/dbraw/zinc/08/48/66/166084866.db2.gz MMIMVUWQWXCNHQ-GOSISDBHSA-N 2 2 326.444 2.302 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368296323 166084869 /nfs/dbraw/zinc/08/48/69/166084869.db2.gz MMIMVUWQWXCNHQ-GOSISDBHSA-N 2 2 326.444 2.302 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364431606 165135202 /nfs/dbraw/zinc/13/52/02/165135202.db2.gz WHXAZQFIUIXMJL-GOSISDBHSA-N 2 2 338.455 2.358 10 0 EEAELP C[NH+]1CCC(CNC(=O)CC[C@H]2CCCO2)([NH+]2CCCCC2)CC1 ZINC000369650879 166304571 /nfs/dbraw/zinc/30/45/71/166304571.db2.gz VNOJTDBRAJPDCS-QGZVFWFLSA-N 2 2 337.508 2.012 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cccc3c2OCCC3)CC1 ZINC000375957937 167236007 /nfs/dbraw/zinc/23/60/07/167236007.db2.gz AJMVBQDJCHWUHO-UHFFFAOYSA-N 2 2 346.475 2.159 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cnc3cnccn23)C1 ZINC000275709965 269137760 /nfs/dbraw/zinc/13/77/60/269137760.db2.gz NRCXOROTLMQDGC-QGZVFWFLSA-N 2 2 336.443 2.078 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cnc3cnccn23)C1 ZINC000275709965 269137761 /nfs/dbraw/zinc/13/77/61/269137761.db2.gz NRCXOROTLMQDGC-QGZVFWFLSA-N 2 2 336.443 2.078 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000275709965 269137763 /nfs/dbraw/zinc/13/77/63/269137763.db2.gz NRCXOROTLMQDGC-QGZVFWFLSA-N 2 2 336.443 2.078 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cnc3cnccn23)C1 ZINC000275709965 269137764 /nfs/dbraw/zinc/13/77/64/269137764.db2.gz NRCXOROTLMQDGC-QGZVFWFLSA-N 2 2 336.443 2.078 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292053747 275368690 /nfs/dbraw/zinc/36/86/90/275368690.db2.gz BTJPSINDIPRPLZ-XLIONFOSSA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292053747 275368691 /nfs/dbraw/zinc/36/86/91/275368691.db2.gz BTJPSINDIPRPLZ-XLIONFOSSA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292053747 275368693 /nfs/dbraw/zinc/36/86/93/275368693.db2.gz BTJPSINDIPRPLZ-XLIONFOSSA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292053747 275368694 /nfs/dbraw/zinc/36/86/94/275368694.db2.gz BTJPSINDIPRPLZ-XLIONFOSSA-N 2 2 329.488 2.370 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106663 275377168 /nfs/dbraw/zinc/37/71/68/275377168.db2.gz IMTAEZUNSYAEIS-FUHWJXTLSA-N 2 2 333.863 2.473 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106663 275377170 /nfs/dbraw/zinc/37/71/70/275377170.db2.gz IMTAEZUNSYAEIS-FUHWJXTLSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106663 275377171 /nfs/dbraw/zinc/37/71/71/275377171.db2.gz IMTAEZUNSYAEIS-FUHWJXTLSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106663 275377173 /nfs/dbraw/zinc/37/71/73/275377173.db2.gz IMTAEZUNSYAEIS-FUHWJXTLSA-N 2 2 333.863 2.473 10 0 EEAELP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245440811 276109651 /nfs/dbraw/zinc/10/96/51/276109651.db2.gz GTQXKFVUQCUHTQ-HUUCEWRRSA-N 2 2 349.441 2.451 10 0 EEAELP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000245440811 276109653 /nfs/dbraw/zinc/10/96/53/276109653.db2.gz GTQXKFVUQCUHTQ-HUUCEWRRSA-N 2 2 349.441 2.451 10 0 EEAELP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CC1 ZINC000342556194 279376043 /nfs/dbraw/zinc/37/60/43/279376043.db2.gz XGIDDJOANQUNOU-IBGZPJMESA-N 2 2 340.471 2.493 10 0 EEAELP COc1ccc(F)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000293475491 293218611 /nfs/dbraw/zinc/21/86/11/293218611.db2.gz FHIXVJLGGCDNKU-UHFFFAOYSA-N 2 2 344.434 2.271 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000333133507 312098254 /nfs/dbraw/zinc/09/82/54/312098254.db2.gz JXRWAHODJVOLNE-GJZGRUSLSA-N 2 2 325.416 2.160 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000333978942 312223071 /nfs/dbraw/zinc/22/30/71/312223071.db2.gz ZZWNTPNSIOFEOZ-NVXWUHKLSA-N 2 2 332.835 2.407 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000333978942 312223072 /nfs/dbraw/zinc/22/30/72/312223072.db2.gz ZZWNTPNSIOFEOZ-NVXWUHKLSA-N 2 2 332.835 2.407 10 0 EEAELP C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000369344597 312426670 /nfs/dbraw/zinc/42/66/70/312426670.db2.gz PMNLZPYPTNDEOA-CYBMUJFWSA-N 2 2 347.463 2.136 10 0 EEAELP C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H](C)[NH3+] ZINC000414905755 313111794 /nfs/dbraw/zinc/11/17/94/313111794.db2.gz OSILGTBQNUCRGV-APIJFGDWSA-N 2 2 334.464 2.153 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000418553389 313844829 /nfs/dbraw/zinc/84/48/29/313844829.db2.gz MYVFCJTZBHMWFG-YCPHGPKFSA-N 2 2 336.505 2.134 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cnn4ccccc34)CC2)CC1 ZINC000421365307 314092277 /nfs/dbraw/zinc/09/22/77/314092277.db2.gz BGQIILYMBVVJJF-UHFFFAOYSA-N 2 2 341.503 2.326 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3cnn4ccccc34)CC2)CC1 ZINC000421365307 314092280 /nfs/dbraw/zinc/09/22/80/314092280.db2.gz BGQIILYMBVVJJF-UHFFFAOYSA-N 2 2 341.503 2.326 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000422204408 314205315 /nfs/dbraw/zinc/20/53/15/314205315.db2.gz ILAFJTYCXSGWDV-HKUYNNGSSA-N 2 2 348.535 2.234 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@@H]3C[C@H]3C3CC3)CC2)CC1 ZINC000422204408 314205320 /nfs/dbraw/zinc/20/53/20/314205320.db2.gz ILAFJTYCXSGWDV-HKUYNNGSSA-N 2 2 348.535 2.234 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000438996850 315062464 /nfs/dbraw/zinc/06/24/64/315062464.db2.gz FPMOCFMVXBMYAG-YOEHRIQHSA-N 2 2 349.475 2.415 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000438996850 315062466 /nfs/dbraw/zinc/06/24/66/315062466.db2.gz FPMOCFMVXBMYAG-YOEHRIQHSA-N 2 2 349.475 2.415 10 0 EEAELP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)CS1 ZINC000515272425 316475744 /nfs/dbraw/zinc/47/57/44/316475744.db2.gz ZHEUFDHLOQNXCM-KKUMJFAQSA-N 2 2 336.505 2.031 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015812 317302833 /nfs/dbraw/zinc/30/28/33/317302833.db2.gz YYOCZCWELDAMLH-BBRMVZONSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(S(N)(=O)=O)c1 ZINC000528015812 317302835 /nfs/dbraw/zinc/30/28/35/317302835.db2.gz YYOCZCWELDAMLH-BBRMVZONSA-N 2 2 337.489 2.002 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)Cn2cc[nH+]c2)CC1 ZINC000531443051 317796559 /nfs/dbraw/zinc/79/65/59/317796559.db2.gz VGSDDGIAQNPKFH-OAHLLOKOSA-N 2 2 327.432 2.008 10 0 EEAELP C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1n1cc[nH+]c1 ZINC000543712792 318167549 /nfs/dbraw/zinc/16/75/49/318167549.db2.gz JSJYVAQSOLQKJI-DOTOQJQBSA-N 2 2 327.432 2.214 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1nncn1C)C(C)C ZINC000556840893 318654307 /nfs/dbraw/zinc/65/43/07/318654307.db2.gz GOYMOFPPKCYPSY-INIZCTEOSA-N 2 2 325.420 2.191 10 0 EEAELP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000580891574 324147883 /nfs/dbraw/zinc/14/78/83/324147883.db2.gz RCGZSWFKWOGZAX-QWHCGFSZSA-N 2 2 338.883 2.123 10 0 EEAELP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000580891574 324147886 /nfs/dbraw/zinc/14/78/86/324147886.db2.gz RCGZSWFKWOGZAX-QWHCGFSZSA-N 2 2 338.883 2.123 10 0 EEAELP Cc1cc(NCCNC(=O)NC[C@H](C)[N@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000623726080 450573838 /nfs/dbraw/zinc/57/38/38/450573838.db2.gz XVKDSJJDBJXCIX-AWEZNQCLSA-N 2 2 348.495 2.102 10 0 EEAELP Cc1cc(NCCNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)nc(C(C)C)[nH+]1 ZINC000623726080 450573840 /nfs/dbraw/zinc/57/38/40/450573840.db2.gz XVKDSJJDBJXCIX-AWEZNQCLSA-N 2 2 348.495 2.102 10 0 EEAELP CC(C)[NH+](CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F)C(C)C ZINC000341182611 465036980 /nfs/dbraw/zinc/03/69/80/465036980.db2.gz BTSWKBSHYWHJFT-UHFFFAOYSA-N 2 2 349.401 2.363 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288095 465094343 /nfs/dbraw/zinc/09/43/43/465094343.db2.gz MBVVWIMKUPGFQX-YLJYHZDGSA-N 3 2 331.504 2.243 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288095 465094347 /nfs/dbraw/zinc/09/43/47/465094347.db2.gz MBVVWIMKUPGFQX-YLJYHZDGSA-N 3 2 331.504 2.243 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000351435538 465154062 /nfs/dbraw/zinc/15/40/62/465154062.db2.gz YIVQOXASUSQIIS-HNNXBMFYSA-N 2 2 341.450 2.270 10 0 EEAELP C[N@H+]1CCCC[C@H]1CC[NH+]1CCN(Cc2nccn2C(F)F)CC1 ZINC000351435538 465154071 /nfs/dbraw/zinc/15/40/71/465154071.db2.gz YIVQOXASUSQIIS-HNNXBMFYSA-N 2 2 341.450 2.270 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000351509469 465193203 /nfs/dbraw/zinc/19/32/03/465193203.db2.gz AMXMIMLTGHYNFA-GBESFXJTSA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)CC[N@H+]2C2CC2)c1 ZINC000351509469 465193210 /nfs/dbraw/zinc/19/32/10/465193210.db2.gz AMXMIMLTGHYNFA-GBESFXJTSA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000351509469 465193215 /nfs/dbraw/zinc/19/32/15/465193215.db2.gz AMXMIMLTGHYNFA-GBESFXJTSA-N 2 2 343.471 2.183 10 0 EEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000351509469 465193222 /nfs/dbraw/zinc/19/32/22/465193222.db2.gz AMXMIMLTGHYNFA-GBESFXJTSA-N 2 2 343.471 2.183 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000356204562 465299575 /nfs/dbraw/zinc/29/95/75/465299575.db2.gz KGTSHZKCYAHWNP-MOPGFXCFSA-N 2 2 344.503 2.210 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000356204562 465299582 /nfs/dbraw/zinc/29/95/82/465299582.db2.gz KGTSHZKCYAHWNP-MOPGFXCFSA-N 2 2 344.503 2.210 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000298125930 465309701 /nfs/dbraw/zinc/30/97/01/465309701.db2.gz NUHWVKSKPPFHFQ-UHFFFAOYSA-N 2 2 335.477 2.238 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[NH+](C2CC2)CC1 ZINC000089884797 462734328 /nfs/dbraw/zinc/73/43/28/462734328.db2.gz SPZUVJVYNZQWCQ-UHFFFAOYSA-N 2 2 343.475 2.062 10 0 EEAELP C[NH+]1CCC(CCNC(=O)[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000065564789 462798310 /nfs/dbraw/zinc/79/83/10/462798310.db2.gz OFMRRSJVHCDSAX-QGZVFWFLSA-N 2 2 330.476 2.146 10 0 EEAELP c1cn(CCC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)c[nH+]1 ZINC000048680942 462929766 /nfs/dbraw/zinc/92/97/66/462929766.db2.gz MMSJIWOUMQDVQM-UHFFFAOYSA-N 2 2 325.372 2.182 10 0 EEAELP Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc[nH+]c(N(C)C)n2)cc1 ZINC000077187902 462949210 /nfs/dbraw/zinc/94/92/10/462949210.db2.gz ZXOXDBKCDNKJSW-KRWDZBQOSA-N 2 2 341.459 2.336 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077715746 463029641 /nfs/dbraw/zinc/02/96/41/463029641.db2.gz BGYXODOCUVWJCM-MRXNPFEDSA-N 2 2 341.459 2.367 10 0 EEAELP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959561 463055202 /nfs/dbraw/zinc/05/52/02/463055202.db2.gz MGFICFZTGCQULD-AWEZNQCLSA-N 2 2 336.480 2.472 10 0 EEAELP C[N@@H+](Cc1cccc2c1OCO2)C1CC[NH+](CCn2cccn2)CC1 ZINC000121202300 463095682 /nfs/dbraw/zinc/09/56/82/463095682.db2.gz DVPJZWJOMLTLHK-UHFFFAOYSA-N 2 2 342.443 2.208 10 0 EEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000095972717 463120193 /nfs/dbraw/zinc/12/01/93/463120193.db2.gz HISJCYDDUWXCAE-QGZVFWFLSA-N 2 2 335.411 2.007 10 0 EEAELP Cc1ccsc1C[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000097287660 463354119 /nfs/dbraw/zinc/35/41/19/463354119.db2.gz YNYZQEUOONIOBC-UHFFFAOYSA-N 2 2 331.489 2.148 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCCOC2CCCCC2)CC[N@@H+]1C ZINC000123770820 463367824 /nfs/dbraw/zinc/36/78/24/463367824.db2.gz UBLXFSVKYCSXRB-IAGOWNOFSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCCOC2CCCCC2)CC[N@H+]1C ZINC000123770820 463367828 /nfs/dbraw/zinc/36/78/28/463367828.db2.gz UBLXFSVKYCSXRB-IAGOWNOFSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCCOC2CCCCC2)CC[NH+]1C ZINC000123770820 463367830 /nfs/dbraw/zinc/36/78/30/463367830.db2.gz UBLXFSVKYCSXRB-IAGOWNOFSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCCOC2CCCCC2)CC[NH+]1C ZINC000123770820 463367833 /nfs/dbraw/zinc/36/78/33/463367833.db2.gz UBLXFSVKYCSXRB-IAGOWNOFSA-N 2 2 339.524 2.257 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCOCC2(C)C)CC1 ZINC000143340579 463368522 /nfs/dbraw/zinc/36/85/22/463368522.db2.gz LLFBDOWXILTJCT-KRWDZBQOSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCOCC2(C)C)CC1 ZINC000143340579 463368525 /nfs/dbraw/zinc/36/85/25/463368525.db2.gz LLFBDOWXILTJCT-KRWDZBQOSA-N 2 2 345.487 2.003 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000081095028 463395119 /nfs/dbraw/zinc/39/51/19/463395119.db2.gz PMBZDDOBQOTTQB-TZMCWYRMSA-N 2 2 336.505 2.232 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000081095028 463395126 /nfs/dbraw/zinc/39/51/26/463395126.db2.gz PMBZDDOBQOTTQB-TZMCWYRMSA-N 2 2 336.505 2.232 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000081095028 463395127 /nfs/dbraw/zinc/39/51/27/463395127.db2.gz PMBZDDOBQOTTQB-TZMCWYRMSA-N 2 2 336.505 2.232 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2nc3c(s2)CCC3)[C@H](C)C1 ZINC000081095028 463395134 /nfs/dbraw/zinc/39/51/34/463395134.db2.gz PMBZDDOBQOTTQB-TZMCWYRMSA-N 2 2 336.505 2.232 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105104202 463439161 /nfs/dbraw/zinc/43/91/61/463439161.db2.gz VQXGEBXERANTFA-OAHLLOKOSA-N 2 2 347.850 2.367 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105104202 463439165 /nfs/dbraw/zinc/43/91/65/463439165.db2.gz VQXGEBXERANTFA-OAHLLOKOSA-N 2 2 347.850 2.367 10 0 EEAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000072860158 463555406 /nfs/dbraw/zinc/55/54/06/463555406.db2.gz WILJDYSPPCRWOR-QFBILLFUSA-N 2 2 329.488 2.454 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000072860158 463555411 /nfs/dbraw/zinc/55/54/11/463555411.db2.gz WILJDYSPPCRWOR-QFBILLFUSA-N 2 2 329.488 2.454 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000072860158 463555417 /nfs/dbraw/zinc/55/54/17/463555417.db2.gz WILJDYSPPCRWOR-QFBILLFUSA-N 2 2 329.488 2.454 10 0 EEAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000072860158 463555420 /nfs/dbraw/zinc/55/54/20/463555420.db2.gz WILJDYSPPCRWOR-QFBILLFUSA-N 2 2 329.488 2.454 10 0 EEAELP c1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccccc1N1CCOCC1)CCC2 ZINC000084504977 463608586 /nfs/dbraw/zinc/60/85/86/463608586.db2.gz SCUWNGCQJRBILU-KRWDZBQOSA-N 2 2 326.444 2.387 10 0 EEAELP C[C@@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000152160307 463654945 /nfs/dbraw/zinc/65/49/45/463654945.db2.gz WNNUKZOOCLUDFL-ZBFHGGJFSA-N 2 2 342.447 2.137 10 0 EEAELP C[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000177815911 463798861 /nfs/dbraw/zinc/79/88/61/463798861.db2.gz VXKOJTFCPOBVNC-VQIMIIECSA-N 2 2 338.455 2.321 10 0 EEAELP C[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000177815911 463798863 /nfs/dbraw/zinc/79/88/63/463798863.db2.gz VXKOJTFCPOBVNC-VQIMIIECSA-N 2 2 338.455 2.321 10 0 EEAELP Cc1nn(C)c(C)c1CCNc1[nH+]cnc2c1cnn2-c1cc[nH+]cc1 ZINC000178881874 464001670 /nfs/dbraw/zinc/00/16/70/464001670.db2.gz PDZDHTUDTQFORW-UHFFFAOYSA-N 2 2 348.414 2.215 10 0 EEAELP CC(C)C(=O)N1CCC([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000236779506 464224032 /nfs/dbraw/zinc/22/40/32/464224032.db2.gz SDSGDRNQOGFOBC-UHFFFAOYSA-N 2 2 330.476 2.287 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000180134169 464248797 /nfs/dbraw/zinc/24/87/97/464248797.db2.gz MGFZUORJYQURNX-HKUYNNGSSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)c2ccnc(-n3cc[nH+]c3)c2)[C@@H]1c1ccccc1 ZINC000180134169 464248801 /nfs/dbraw/zinc/24/88/01/464248801.db2.gz MGFZUORJYQURNX-HKUYNNGSSA-N 2 2 347.422 2.443 10 0 EEAELP c1cc(N2CC[NH+](CCCNc3cc[nH+]c(C4CC4)n3)CC2)cc[nH+]1 ZINC000264634044 464402473 /nfs/dbraw/zinc/40/24/73/464402473.db2.gz CBQPRZQLTJCHFX-UHFFFAOYSA-N 3 2 338.459 2.373 10 0 EEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246733923 464617146 /nfs/dbraw/zinc/61/71/46/464617146.db2.gz VWFUPEQGJIGAOM-XDNAFOTISA-N 2 2 347.507 2.424 10 0 EEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246733923 464617150 /nfs/dbraw/zinc/61/71/50/464617150.db2.gz VWFUPEQGJIGAOM-XDNAFOTISA-N 2 2 347.507 2.424 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247263469 464662420 /nfs/dbraw/zinc/66/24/20/464662420.db2.gz VMHJSLDYSJLCOD-LPHOPBHVSA-N 2 2 347.503 2.316 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247263469 464662426 /nfs/dbraw/zinc/66/24/26/464662426.db2.gz VMHJSLDYSJLCOD-LPHOPBHVSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247263469 464662430 /nfs/dbraw/zinc/66/24/30/464662430.db2.gz VMHJSLDYSJLCOD-LPHOPBHVSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247263469 464662436 /nfs/dbraw/zinc/66/24/36/464662436.db2.gz VMHJSLDYSJLCOD-LPHOPBHVSA-N 2 2 347.503 2.316 10 0 EEAELP C[N@H+](C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000248148676 464734006 /nfs/dbraw/zinc/73/40/06/464734006.db2.gz SPLUHSQEJSMWEN-RTBURBONSA-N 2 2 345.487 2.049 10 0 EEAELP C[N@@H+](C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1)C1CC[NH+](C)CC1 ZINC000248148676 464734008 /nfs/dbraw/zinc/73/40/08/464734008.db2.gz SPLUHSQEJSMWEN-RTBURBONSA-N 2 2 345.487 2.049 10 0 EEAELP CO[C@@H](Cc1ccccc1)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000295724569 464943302 /nfs/dbraw/zinc/94/33/02/464943302.db2.gz LHQQSOKHOYNLQF-SFHVURJKSA-N 2 2 326.444 2.165 10 0 EEAELP C[C@H]1CN(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000337493335 465397354 /nfs/dbraw/zinc/39/73/54/465397354.db2.gz PDKUNDJBLDMRPA-IRXDYDNUSA-N 2 2 332.492 2.120 10 0 EEAELP C[C@H]1CN(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000337493335 465397356 /nfs/dbraw/zinc/39/73/56/465397356.db2.gz PDKUNDJBLDMRPA-IRXDYDNUSA-N 2 2 332.492 2.120 10 0 EEAELP COc1c[nH+]ccc1N1CCN(C(=O)Nc2c(C)cc[nH+]c2C)CC1 ZINC000351955011 465462829 /nfs/dbraw/zinc/46/28/29/465462829.db2.gz FCMIMMFBLHYSFJ-UHFFFAOYSA-N 2 2 341.415 2.456 10 0 EEAELP C[NH+]1CCC(CNC(=O)/C=C/c2ccco2)([NH+]2CCCCC2)CC1 ZINC000360929529 465638124 /nfs/dbraw/zinc/63/81/24/465638124.db2.gz XSKYXYHTXAWJJT-BQYQJAHWSA-N 2 2 331.460 2.359 10 0 EEAELP CN(C)c1nc(N2CC[NH+](CCCc3ccsc3)CC2)cc[nH+]1 ZINC000360962058 465667579 /nfs/dbraw/zinc/66/75/79/465667579.db2.gz VSCWKNYUIWELOD-UHFFFAOYSA-N 2 2 331.489 2.359 10 0 EEAELP O=C(CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000338000938 465740231 /nfs/dbraw/zinc/74/02/31/465740231.db2.gz RRJLWJDMECITDK-QZTJIDSGSA-N 2 2 342.487 2.289 10 0 EEAELP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330988995 465886234 /nfs/dbraw/zinc/88/62/34/465886234.db2.gz XVDYUMHGZTXGJG-NWDGAFQWSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330988995 465886242 /nfs/dbraw/zinc/88/62/42/465886242.db2.gz XVDYUMHGZTXGJG-NWDGAFQWSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@H]1c2ccccc2CN1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000340255813 465924523 /nfs/dbraw/zinc/92/45/23/465924523.db2.gz QIDDHEXJJLYAJF-HNNXBMFYSA-N 2 2 330.476 2.299 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000361348995 465927856 /nfs/dbraw/zinc/92/78/56/465927856.db2.gz QGJOMLSITFCJCA-OAHLLOKOSA-N 2 2 329.448 2.258 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000361348995 465927861 /nfs/dbraw/zinc/92/78/61/465927861.db2.gz QGJOMLSITFCJCA-OAHLLOKOSA-N 2 2 329.448 2.258 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(C)[C@@H](C)CC(C)C)CC1 ZINC000361529589 466077800 /nfs/dbraw/zinc/07/78/00/466077800.db2.gz FPOXTSUDKPHDDH-INIZCTEOSA-N 2 2 348.491 2.105 10 0 EEAELP CCc1cnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000349380063 466090626 /nfs/dbraw/zinc/09/06/26/466090626.db2.gz DBJBYXYEDLRVQO-XYPWUTKMSA-N 2 2 334.533 2.448 10 0 EEAELP CCc1cnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000349380063 466090632 /nfs/dbraw/zinc/09/06/32/466090632.db2.gz DBJBYXYEDLRVQO-XYPWUTKMSA-N 2 2 334.533 2.448 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000357984949 466366630 /nfs/dbraw/zinc/36/66/30/466366630.db2.gz BGECBHMBCXYRMI-LPHOPBHVSA-N 2 2 329.488 2.150 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000357984949 466366641 /nfs/dbraw/zinc/36/66/41/466366641.db2.gz BGECBHMBCXYRMI-LPHOPBHVSA-N 2 2 329.488 2.150 10 0 EEAELP COc1cc(F)c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000361887368 466380601 /nfs/dbraw/zinc/38/06/01/466380601.db2.gz OKMHRCWSOPYLMD-KBPBESRZSA-N 2 2 340.439 2.462 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000370226012 466803953 /nfs/dbraw/zinc/80/39/53/466803953.db2.gz AWBQLJNWPBCVQY-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000370226012 466803957 /nfs/dbraw/zinc/80/39/57/466803957.db2.gz AWBQLJNWPBCVQY-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000370226012 466803961 /nfs/dbraw/zinc/80/39/61/466803961.db2.gz AWBQLJNWPBCVQY-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423824714 466860162 /nfs/dbraw/zinc/86/01/62/466860162.db2.gz KZYBYSZUVMYDEY-HUUCEWRRSA-N 2 2 339.842 2.340 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423824714 466860165 /nfs/dbraw/zinc/86/01/65/466860165.db2.gz KZYBYSZUVMYDEY-HUUCEWRRSA-N 2 2 339.842 2.340 10 0 EEAELP Cc1nc(C2CC2)oc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376898341 466959775 /nfs/dbraw/zinc/95/97/75/466959775.db2.gz VVEUEQVQRAOMDH-UHFFFAOYSA-N 2 2 346.475 2.149 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418001966 467018279 /nfs/dbraw/zinc/01/82/79/467018279.db2.gz XRYQSMOTGRGCPK-HUUCEWRRSA-N 2 2 342.846 2.215 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418001966 467018283 /nfs/dbraw/zinc/01/82/83/467018283.db2.gz XRYQSMOTGRGCPK-HUUCEWRRSA-N 2 2 342.846 2.215 10 0 EEAELP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377756181 467133875 /nfs/dbraw/zinc/13/38/75/467133875.db2.gz PIWVDURINBJJIQ-STQMWFEESA-N 2 2 329.400 2.170 10 0 EEAELP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377756181 467133880 /nfs/dbraw/zinc/13/38/80/467133880.db2.gz PIWVDURINBJJIQ-STQMWFEESA-N 2 2 329.400 2.170 10 0 EEAELP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377756179 467134089 /nfs/dbraw/zinc/13/40/89/467134089.db2.gz PIWVDURINBJJIQ-OLZOCXBDSA-N 2 2 329.400 2.170 10 0 EEAELP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377756179 467134090 /nfs/dbraw/zinc/13/40/90/467134090.db2.gz PIWVDURINBJJIQ-OLZOCXBDSA-N 2 2 329.400 2.170 10 0 EEAELP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000418720526 467150065 /nfs/dbraw/zinc/15/00/65/467150065.db2.gz JZCOSUOIOLHWET-KGLIPLIRSA-N 2 2 349.866 2.484 10 0 EEAELP CCC(CC)[C@@H](C(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[NH+]1CCOCC1 ZINC000378068769 467190565 /nfs/dbraw/zinc/19/05/65/467190565.db2.gz ADEXXXGTMYNTLD-SFHVURJKSA-N 2 2 348.491 2.253 10 0 EEAELP CCC(CC)[C@@H](C(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[NH+]1CCOCC1 ZINC000378068769 467190566 /nfs/dbraw/zinc/19/05/66/467190566.db2.gz ADEXXXGTMYNTLD-SFHVURJKSA-N 2 2 348.491 2.253 10 0 EEAELP O=C(C[NH2+][C@H]1CC2CCC1CC2)N1CC[NH+](Cc2ccco2)CC1 ZINC000432994205 467282369 /nfs/dbraw/zinc/28/23/69/467282369.db2.gz UHJNCFSNEGXYFQ-HTWSVDAQSA-N 2 2 331.460 2.092 10 0 EEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420400259 467395411 /nfs/dbraw/zinc/39/54/11/467395411.db2.gz OOABBPKXRIRJNG-LSDHHAIUSA-N 2 2 347.459 2.065 10 0 EEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420400259 467395415 /nfs/dbraw/zinc/39/54/15/467395415.db2.gz OOABBPKXRIRJNG-LSDHHAIUSA-N 2 2 347.459 2.065 10 0 EEAELP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415093359 467488523 /nfs/dbraw/zinc/48/85/23/467488523.db2.gz HZPIMCDDKSVUOV-GXFFZTMASA-N 2 2 331.229 2.097 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2CCO)CC[N@@H+]1Cc1ccccc1 ZINC000449397547 467638385 /nfs/dbraw/zinc/63/83/85/467638385.db2.gz VNVLPKSMDUAIQA-NRSPTQNISA-N 2 2 345.531 2.476 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCCN2CCO)CC[N@H+]1Cc1ccccc1 ZINC000449397547 467638387 /nfs/dbraw/zinc/63/83/87/467638387.db2.gz VNVLPKSMDUAIQA-NRSPTQNISA-N 2 2 345.531 2.476 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](c3cccc(F)c3)C2(C)C)CC1 ZINC000528769333 467748720 /nfs/dbraw/zinc/74/87/20/467748720.db2.gz OOCHWDLQRMMLIW-QGZVFWFLSA-N 2 2 333.451 2.168 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](c3cccc(F)c3)C2(C)C)CC1 ZINC000528769333 467748723 /nfs/dbraw/zinc/74/87/23/467748723.db2.gz OOCHWDLQRMMLIW-QGZVFWFLSA-N 2 2 333.451 2.168 10 0 EEAELP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000529354939 467851661 /nfs/dbraw/zinc/85/16/61/467851661.db2.gz LKQDRZNYSXRRQE-KRWDZBQOSA-N 2 2 345.491 2.370 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c2[nH+]ccn21 ZINC000514918918 467962789 /nfs/dbraw/zinc/96/27/89/467962789.db2.gz KXVWNDBPHHYTMC-GOEBONIOSA-N 2 2 331.464 2.406 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550095820 468206096 /nfs/dbraw/zinc/20/60/96/468206096.db2.gz GOXJSQVBUZMGAZ-GOEBONIOSA-N 2 2 336.798 2.237 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000550095820 468206100 /nfs/dbraw/zinc/20/61/00/468206100.db2.gz GOXJSQVBUZMGAZ-GOEBONIOSA-N 2 2 336.798 2.237 10 0 EEAELP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cccc1 ZINC000520569666 468259113 /nfs/dbraw/zinc/25/91/13/468259113.db2.gz UQWDNZSDBZFOSR-MRXNPFEDSA-N 2 2 332.492 2.114 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[NH+]3[C@H](C)CCC[C@H]3C)nc[nH+]2)C1 ZINC000583011193 468629626 /nfs/dbraw/zinc/62/96/26/468629626.db2.gz OHYVBWLGWHVNQS-WCXIOVBPSA-N 2 2 347.507 2.359 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C[N@@H+]1C1CC1 ZINC000592372371 468684665 /nfs/dbraw/zinc/68/46/65/468684665.db2.gz HFPJQALVOYNUEM-CABCVRRESA-N 2 2 338.492 2.340 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCOCC2)C[N@H+]1C1CC1 ZINC000592372371 468684670 /nfs/dbraw/zinc/68/46/70/468684670.db2.gz HFPJQALVOYNUEM-CABCVRRESA-N 2 2 338.492 2.340 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571404155 468784541 /nfs/dbraw/zinc/78/45/41/468784541.db2.gz KJGVSVGPNDXEFY-OXJNMPFZSA-N 2 2 327.472 2.035 10 0 EEAELP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571404155 468784548 /nfs/dbraw/zinc/78/45/48/468784548.db2.gz KJGVSVGPNDXEFY-OXJNMPFZSA-N 2 2 327.472 2.035 10 0 EEAELP Cc1[nH+]c2cc(NC(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)ccc2n1C ZINC000584289780 468838309 /nfs/dbraw/zinc/83/83/09/468838309.db2.gz IJAYQCVQIHNESW-VVFCZOMOSA-N 2 2 342.443 2.353 10 0 EEAELP C[C@H]([NH3+])c1ccc(C(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000572359651 468921377 /nfs/dbraw/zinc/92/13/77/468921377.db2.gz SAXWIRNZBQYMAE-JTQLQIEISA-N 2 2 326.322 2.395 10 0 EEAELP Cc1cc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)ccc1OCC[NH+](C)C ZINC000616236509 469403031 /nfs/dbraw/zinc/40/30/31/469403031.db2.gz HARAYFYFZPEQCS-AWEZNQCLSA-N 2 2 342.443 2.402 10 0 EEAELP Cc1cc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)ccc1OCC[NH+](C)C ZINC000616236509 469403037 /nfs/dbraw/zinc/40/30/37/469403037.db2.gz HARAYFYFZPEQCS-AWEZNQCLSA-N 2 2 342.443 2.402 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000622356950 469430440 /nfs/dbraw/zinc/43/04/40/469430440.db2.gz GEVVPVXOYCUYJU-UHFFFAOYSA-N 2 2 329.488 2.451 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000622356950 469430441 /nfs/dbraw/zinc/43/04/41/469430441.db2.gz GEVVPVXOYCUYJU-UHFFFAOYSA-N 2 2 329.488 2.451 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000625968273 469452032 /nfs/dbraw/zinc/45/20/32/469452032.db2.gz FCHWICNVOYFLMT-ROUUACIJSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000625968273 469452035 /nfs/dbraw/zinc/45/20/35/469452035.db2.gz FCHWICNVOYFLMT-ROUUACIJSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000625968273 469452040 /nfs/dbraw/zinc/45/20/40/469452040.db2.gz FCHWICNVOYFLMT-ROUUACIJSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000625968273 469452045 /nfs/dbraw/zinc/45/20/45/469452045.db2.gz FCHWICNVOYFLMT-ROUUACIJSA-N 2 2 338.467 2.333 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000629585168 469584889 /nfs/dbraw/zinc/58/48/89/469584889.db2.gz LYOHMFZLVOGRNN-NXHRZFHOSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCN(c3ccc(Cl)cc3)C1=O)C2 ZINC000629585168 469584892 /nfs/dbraw/zinc/58/48/92/469584892.db2.gz LYOHMFZLVOGRNN-NXHRZFHOSA-N 2 2 333.863 2.377 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583994 469585097 /nfs/dbraw/zinc/58/50/97/469585097.db2.gz IJFPBICOAJLINE-YSGRDPCXSA-N 2 2 327.472 2.286 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583994 469585103 /nfs/dbraw/zinc/58/51/03/469585103.db2.gz IJFPBICOAJLINE-YSGRDPCXSA-N 2 2 327.472 2.286 10 0 EEAELP O=C(NCC1([NH+]2CCCC2)CCOCC1)Nc1ccc2[nH+]ccn2c1 ZINC000606580931 469619917 /nfs/dbraw/zinc/61/99/17/469619917.db2.gz KCTQZOAKSLXGEA-UHFFFAOYSA-N 2 2 343.431 2.101 10 0 EEAELP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(F)c1OCC(F)(F)F ZINC000623471043 469666479 /nfs/dbraw/zinc/66/64/79/469666479.db2.gz MMCIPKLXTQTXAU-AWEZNQCLSA-N 2 2 338.345 2.169 10 0 EEAELP CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000617550839 469722363 /nfs/dbraw/zinc/72/23/63/469722363.db2.gz FLHBQHDNAILKQY-QGZVFWFLSA-N 2 2 326.444 2.027 10 0 EEAELP CCN(C(=O)Cc1c[nH+]cn1Cc1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000617550839 469722369 /nfs/dbraw/zinc/72/23/69/469722369.db2.gz FLHBQHDNAILKQY-QGZVFWFLSA-N 2 2 326.444 2.027 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000613595033 469746204 /nfs/dbraw/zinc/74/62/04/469746204.db2.gz UVSSFDJGMOYEOZ-JOQOYGCGSA-N 2 2 326.444 2.322 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000613595033 469746207 /nfs/dbraw/zinc/74/62/07/469746207.db2.gz UVSSFDJGMOYEOZ-JOQOYGCGSA-N 2 2 326.444 2.322 10 0 EEAELP CO[C@H]1C[N@H+](CCOc2cccc(Br)c2)[C@@](C)(C[NH3+])C1 ZINC000630363182 469820120 /nfs/dbraw/zinc/82/01/20/469820120.db2.gz CHJKQXBWTOPZKH-HUUCEWRRSA-N 2 2 343.265 2.266 10 0 EEAELP CO[C@H]1C[N@@H+](CCOc2cccc(Br)c2)[C@@](C)(C[NH3+])C1 ZINC000630363182 469820123 /nfs/dbraw/zinc/82/01/23/469820123.db2.gz CHJKQXBWTOPZKH-HUUCEWRRSA-N 2 2 343.265 2.266 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(C[NH+](C)CCO)c2)C1 ZINC000614383884 469926525 /nfs/dbraw/zinc/92/65/25/469926525.db2.gz FADPYHIAWMKQDI-CYBMUJFWSA-N 2 2 339.867 2.044 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(C[NH+](C)CCO)c2)C1 ZINC000614383884 469926529 /nfs/dbraw/zinc/92/65/29/469926529.db2.gz FADPYHIAWMKQDI-CYBMUJFWSA-N 2 2 339.867 2.044 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)C1 ZINC000614383884 469926532 /nfs/dbraw/zinc/92/65/32/469926532.db2.gz FADPYHIAWMKQDI-CYBMUJFWSA-N 2 2 339.867 2.044 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)C1 ZINC000614383884 469926536 /nfs/dbraw/zinc/92/65/36/469926536.db2.gz FADPYHIAWMKQDI-CYBMUJFWSA-N 2 2 339.867 2.044 10 0 EEAELP Cc1ccccc1-c1nsc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000624392644 469926710 /nfs/dbraw/zinc/92/67/10/469926710.db2.gz WDFKANOFGNIMCY-UHFFFAOYSA-N 2 2 333.505 2.231 10 0 EEAELP Cc1ccccc1-c1nsc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000624392644 469926713 /nfs/dbraw/zinc/92/67/13/469926713.db2.gz WDFKANOFGNIMCY-UHFFFAOYSA-N 2 2 333.505 2.231 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000630634015 469928310 /nfs/dbraw/zinc/92/83/10/469928310.db2.gz TYVXOKBWICGJPT-ZWKOTPCHSA-N 2 2 326.444 2.278 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[N@H+]1C ZINC000630634015 469928319 /nfs/dbraw/zinc/92/83/19/469928319.db2.gz TYVXOKBWICGJPT-ZWKOTPCHSA-N 2 2 326.444 2.278 10 0 EEAELP C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CCO1 ZINC000620965245 469961560 /nfs/dbraw/zinc/96/15/60/469961560.db2.gz KNZXULYMOHCWKM-GOSISDBHSA-N 2 2 342.443 2.055 10 0 EEAELP CCO[C@@H](C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000627794933 469999590 /nfs/dbraw/zinc/99/95/90/469999590.db2.gz YKMQXUYIFCJQII-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP CCO[C@@H](C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000627794933 469999592 /nfs/dbraw/zinc/99/95/92/469999592.db2.gz YKMQXUYIFCJQII-GOSISDBHSA-N 2 2 339.524 2.066 10 0 EEAELP OCCC1([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCCC1 ZINC000631134846 470076937 /nfs/dbraw/zinc/07/69/37/470076937.db2.gz YRSOIPBDMXNNEX-UHFFFAOYSA-N 2 2 348.487 2.182 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1Br ZINC000631842706 470187049 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Cc1[nH+]c2ccccc2n1CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000647725131 470968543 /nfs/dbraw/zinc/96/85/43/470968543.db2.gz NRJBHPZGEPWRCO-UHFFFAOYSA-N 2 2 326.444 2.289 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC34CCCC4)CC2)CC1 ZINC000650797962 470969943 /nfs/dbraw/zinc/96/99/43/470969943.db2.gz ITGZXFKYUUQTCK-UHFFFAOYSA-N 2 2 334.508 2.273 10 0 EEAELP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000647814614 470990746 /nfs/dbraw/zinc/99/07/46/470990746.db2.gz VZBCIJZIFOZIEE-UHFFFAOYSA-N 2 2 331.504 2.288 10 0 EEAELP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000647814614 470990747 /nfs/dbraw/zinc/99/07/47/470990747.db2.gz VZBCIJZIFOZIEE-UHFFFAOYSA-N 2 2 331.504 2.288 10 0 EEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899691 471010304 /nfs/dbraw/zinc/01/03/04/471010304.db2.gz SQKNQUFRFFAIAS-YCPHGPKFSA-N 2 2 345.443 2.206 10 0 EEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899691 471010307 /nfs/dbraw/zinc/01/03/07/471010307.db2.gz SQKNQUFRFFAIAS-YCPHGPKFSA-N 2 2 345.443 2.206 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899420 471010655 /nfs/dbraw/zinc/01/06/55/471010655.db2.gz JTDBNIMQQPDRJA-IEBWSBKVSA-N 2 2 345.487 2.118 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899420 471010659 /nfs/dbraw/zinc/01/06/59/471010659.db2.gz JTDBNIMQQPDRJA-IEBWSBKVSA-N 2 2 345.487 2.118 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900980 471011109 /nfs/dbraw/zinc/01/11/09/471011109.db2.gz IERURGWECNEFTE-WDSOQIARSA-N 2 2 329.488 2.464 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900980 471011113 /nfs/dbraw/zinc/01/11/13/471011113.db2.gz IERURGWECNEFTE-WDSOQIARSA-N 2 2 329.488 2.464 10 0 EEAELP CC(C)CN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CC[NH+](C)CC1 ZINC000651334364 471134363 /nfs/dbraw/zinc/13/43/63/471134363.db2.gz WZMDKKCWXSYQCT-UHFFFAOYSA-N 2 2 332.492 2.341 10 0 EEAELP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cnccc2o1 ZINC000657865828 471242213 /nfs/dbraw/zinc/24/22/13/471242213.db2.gz TYJAFCZITNJEOL-GOEBONIOSA-N 2 2 344.459 2.421 10 0 EEAELP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cnccc2o1 ZINC000657865828 471242216 /nfs/dbraw/zinc/24/22/16/471242216.db2.gz TYJAFCZITNJEOL-GOEBONIOSA-N 2 2 344.459 2.421 10 0 EEAELP COC[C@@H](CC1CCOCC1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000657882255 471244098 /nfs/dbraw/zinc/24/40/98/471244098.db2.gz RARVIGZESZGQBG-QGZVFWFLSA-N 2 2 342.524 2.297 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000658200157 471276357 /nfs/dbraw/zinc/27/63/57/471276357.db2.gz JYRGPEPLMPLDGV-JYJNAYRXSA-N 2 2 328.522 2.196 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CC2(S(C)(=O)=O)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000658200157 471276360 /nfs/dbraw/zinc/27/63/60/471276360.db2.gz JYRGPEPLMPLDGV-JYJNAYRXSA-N 2 2 328.522 2.196 10 0 EEAELP CCO[C@@H]1C[N@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C[C@H]1C[NH3+] ZINC000652358179 471278922 /nfs/dbraw/zinc/27/89/22/471278922.db2.gz IXLODOOCQFYROJ-QZTJIDSGSA-N 2 2 347.503 2.109 10 0 EEAELP CCO[C@@H]1C[N@@H+](CC(=O)N(Cc2ccccc2)C(C)(C)C)C[C@H]1C[NH3+] ZINC000652358179 471278923 /nfs/dbraw/zinc/27/89/23/471278923.db2.gz IXLODOOCQFYROJ-QZTJIDSGSA-N 2 2 347.503 2.109 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655240721 471289465 /nfs/dbraw/zinc/28/94/65/471289465.db2.gz CHWDMIFXKBPKIO-YHUYYLMFSA-N 2 2 336.480 2.011 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655240721 471289466 /nfs/dbraw/zinc/28/94/66/471289466.db2.gz CHWDMIFXKBPKIO-YHUYYLMFSA-N 2 2 336.480 2.011 10 0 EEAELP Cc1[nH]ncc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000666234738 471324320 /nfs/dbraw/zinc/32/43/20/471324320.db2.gz RMRQNKOFXWPWMS-OAHLLOKOSA-N 2 2 328.460 2.396 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)CC1 ZINC000660572669 471398278 /nfs/dbraw/zinc/39/82/78/471398278.db2.gz DHCYAKXAZKJNFW-GJYPPUQNSA-N 2 2 348.535 2.280 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000666648463 471479322 /nfs/dbraw/zinc/47/93/22/471479322.db2.gz CUMJNAWKRGHXSA-UHFFFAOYSA-N 2 2 347.385 2.105 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(C(F)(F)F)ccn1 ZINC000666648463 471479325 /nfs/dbraw/zinc/47/93/25/471479325.db2.gz CUMJNAWKRGHXSA-UHFFFAOYSA-N 2 2 347.385 2.105 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000653159583 471512234 /nfs/dbraw/zinc/51/22/34/471512234.db2.gz HHEYCFYXNOULAH-AWEZNQCLSA-N 2 2 335.879 2.204 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000653159583 471512241 /nfs/dbraw/zinc/51/22/41/471512241.db2.gz HHEYCFYXNOULAH-AWEZNQCLSA-N 2 2 335.879 2.204 10 0 EEAELP CSc1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663801326 471525528 /nfs/dbraw/zinc/52/55/28/471525528.db2.gz SMKLGWOBKXWSNT-UHFFFAOYSA-N 2 2 338.521 2.091 10 0 EEAELP CSc1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663801326 471525531 /nfs/dbraw/zinc/52/55/31/471525531.db2.gz SMKLGWOBKXWSNT-UHFFFAOYSA-N 2 2 338.521 2.091 10 0 EEAELP O=c1ccccn1CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694759 471593583 /nfs/dbraw/zinc/59/35/83/471593583.db2.gz BOJBNOYOCNVPRS-INIZCTEOSA-N 2 2 326.444 2.261 10 0 EEAELP O=c1ccccn1CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669694759 471593587 /nfs/dbraw/zinc/59/35/87/471593587.db2.gz BOJBNOYOCNVPRS-INIZCTEOSA-N 2 2 326.444 2.261 10 0 EEAELP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667252234 471710502 /nfs/dbraw/zinc/71/05/02/471710502.db2.gz CYJPNJHGIKUZRF-RDJZCZTQSA-N 2 2 341.459 2.397 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000656701893 471811928 /nfs/dbraw/zinc/81/19/28/471811928.db2.gz FOADRAZSHVUSGK-DLBZAZTESA-N 2 2 336.476 2.035 10 0 EEAELP COc1ccccc1COC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000656701893 471811932 /nfs/dbraw/zinc/81/19/32/471811932.db2.gz FOADRAZSHVUSGK-DLBZAZTESA-N 2 2 336.476 2.035 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCC(CO)(CO)C1 ZINC000661947379 471934941 /nfs/dbraw/zinc/93/49/41/471934941.db2.gz ARHRRGVZDGKAOB-UHFFFAOYSA-N 2 2 331.460 2.192 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCC(CO)(CO)C1 ZINC000661947379 471934944 /nfs/dbraw/zinc/93/49/44/471934944.db2.gz ARHRRGVZDGKAOB-UHFFFAOYSA-N 2 2 331.460 2.192 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000668097005 472007053 /nfs/dbraw/zinc/00/70/53/472007053.db2.gz VZXGHDGKAZTZLT-UHFFFAOYSA-N 2 2 327.432 2.019 10 0 EEAELP CCCOc1ccc(OCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662157809 472014038 /nfs/dbraw/zinc/01/40/38/472014038.db2.gz RQFMFBKITGUGOQ-GOSISDBHSA-N 2 2 348.487 2.385 10 0 EEAELP CCCOc1ccc(OCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662157809 472014042 /nfs/dbraw/zinc/01/40/42/472014042.db2.gz RQFMFBKITGUGOQ-GOSISDBHSA-N 2 2 348.487 2.385 10 0 EEAELP COc1ccc(CC[C@H]2CCCC[N@@H+]2C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000662258509 472046651 /nfs/dbraw/zinc/04/66/51/472046651.db2.gz VODCMVJDQKHQFT-MSOLQXFVSA-N 2 2 348.487 2.479 10 0 EEAELP COc1ccc(CC[C@H]2CCCC[N@H+]2C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000662258509 472046656 /nfs/dbraw/zinc/04/66/56/472046656.db2.gz VODCMVJDQKHQFT-MSOLQXFVSA-N 2 2 348.487 2.479 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](CC(=O)NCCC2=CCCCC2)CCO1 ZINC000662315813 472066710 /nfs/dbraw/zinc/06/67/10/472066710.db2.gz HGVAGLOAZTVCIY-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](CC(=O)NCCC2=CCCCC2)CCO1 ZINC000662315813 472066716 /nfs/dbraw/zinc/06/67/16/472066716.db2.gz HGVAGLOAZTVCIY-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315334 472067037 /nfs/dbraw/zinc/06/70/37/472067037.db2.gz DYDQBBIRJJVRDP-XDNAFOTISA-N 2 2 339.524 2.112 10 0 EEAELP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662315334 472067041 /nfs/dbraw/zinc/06/70/41/472067041.db2.gz DYDQBBIRJJVRDP-XDNAFOTISA-N 2 2 339.524 2.112 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662537266 472143714 /nfs/dbraw/zinc/14/37/14/472143714.db2.gz ZEQCZFGYJLNQAM-SQWLQELKSA-N 2 2 343.393 2.353 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000662537266 472143718 /nfs/dbraw/zinc/14/37/18/472143718.db2.gz ZEQCZFGYJLNQAM-SQWLQELKSA-N 2 2 343.393 2.353 10 0 EEAELP [NH3+][C@@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000662682754 472203712 /nfs/dbraw/zinc/20/37/12/472203712.db2.gz UCBUMIROHMCUDE-QGZVFWFLSA-N 2 2 346.381 2.145 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000666046768 472288173 /nfs/dbraw/zinc/28/81/73/472288173.db2.gz RHPJSEASKNAKLL-UHFFFAOYSA-N 2 2 344.463 2.082 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000666046768 472288179 /nfs/dbraw/zinc/28/81/79/472288179.db2.gz RHPJSEASKNAKLL-UHFFFAOYSA-N 2 2 344.463 2.082 10 0 EEAELP C[C@@H]1CC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C[NH2+]1 ZINC000629542714 485730249 /nfs/dbraw/zinc/73/02/49/485730249.db2.gz JRHWOVVPDFJGRN-RNJTYBCJSA-N 2 2 337.895 2.442 10 0 EEAELP C[C@@H]1CC[C@H](N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C[NH2+]1 ZINC000629542714 485730259 /nfs/dbraw/zinc/73/02/59/485730259.db2.gz JRHWOVVPDFJGRN-RNJTYBCJSA-N 2 2 337.895 2.442 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCc2ccc(O)cc2C1 ZINC000676703301 486285810 /nfs/dbraw/zinc/28/58/10/486285810.db2.gz JBZIFGJFKNGFEX-HXUWFJFHSA-N 2 2 326.440 2.243 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCc2ccc(O)cc2C1 ZINC000676703301 486285813 /nfs/dbraw/zinc/28/58/13/486285813.db2.gz JBZIFGJFKNGFEX-HXUWFJFHSA-N 2 2 326.440 2.243 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000676703301 486285818 /nfs/dbraw/zinc/28/58/18/486285818.db2.gz JBZIFGJFKNGFEX-HXUWFJFHSA-N 2 2 326.440 2.243 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000676703301 486285822 /nfs/dbraw/zinc/28/58/22/486285822.db2.gz JBZIFGJFKNGFEX-HXUWFJFHSA-N 2 2 326.440 2.243 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccc(F)cc3)C2)CC1 ZINC000732719887 577189895 /nfs/dbraw/zinc/18/98/95/577189895.db2.gz DEZYJRAPLWHLKH-OAHLLOKOSA-N 2 2 336.480 2.281 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)Nc3ccc(F)cc3)C2)CC1 ZINC000732719887 577189896 /nfs/dbraw/zinc/18/98/96/577189896.db2.gz DEZYJRAPLWHLKH-OAHLLOKOSA-N 2 2 336.480 2.281 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccc(F)cc3)C2)CC1 ZINC000732719886 577189912 /nfs/dbraw/zinc/18/99/12/577189912.db2.gz DEZYJRAPLWHLKH-HNNXBMFYSA-N 2 2 336.480 2.281 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)Nc3ccc(F)cc3)C2)CC1 ZINC000732719886 577189913 /nfs/dbraw/zinc/18/99/13/577189913.db2.gz DEZYJRAPLWHLKH-HNNXBMFYSA-N 2 2 336.480 2.281 10 0 EEAELP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000774975903 577425124 /nfs/dbraw/zinc/42/51/24/577425124.db2.gz DTOWCDSJVHATQU-MRXNPFEDSA-N 2 2 340.427 2.184 10 0 EEAELP C[C@@]1(C[NH+]2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC[NH2+]C1 ZINC000261716712 676388710 /nfs/dbraw/zinc/38/87/10/676388710.db2.gz FFTFXAHNMYLMSC-GOSISDBHSA-N 2 2 347.894 2.105 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C1N=NC(=O)N1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000895175867 684217350 /nfs/dbraw/zinc/21/73/50/684217350.db2.gz OQVPEYDHBSJJKP-YCPHGPKFSA-N 2 2 329.448 2.082 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C1N=NC(=O)N1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000895175867 684217353 /nfs/dbraw/zinc/21/73/53/684217353.db2.gz OQVPEYDHBSJJKP-YCPHGPKFSA-N 2 2 329.448 2.082 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c[nH+]1 ZINC000897103969 686144990 /nfs/dbraw/zinc/14/49/90/686144990.db2.gz BYOHKEYBXKVYCI-NVXWUHKLSA-N 2 2 330.476 2.402 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c[nH+]1 ZINC000897103969 686144994 /nfs/dbraw/zinc/14/49/94/686144994.db2.gz BYOHKEYBXKVYCI-NVXWUHKLSA-N 2 2 330.476 2.402 10 0 EEAELP O=C(N[C@@H]1CCC[N@@H+](CCF)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000898488045 693344777 /nfs/dbraw/zinc/34/47/77/693344777.db2.gz CMHJBVJYQDBNTJ-GOSISDBHSA-N 2 2 333.451 2.446 10 0 EEAELP O=C(N[C@@H]1CCC[N@H+](CCF)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000898488045 693344782 /nfs/dbraw/zinc/34/47/82/693344782.db2.gz CMHJBVJYQDBNTJ-GOSISDBHSA-N 2 2 333.451 2.446 10 0 EEAELP C[C@@H]1CC=CC[C@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000898885098 693507505 /nfs/dbraw/zinc/50/75/05/693507505.db2.gz BCAVKAZHKPIEAG-BPQIPLTHSA-N 2 2 334.508 2.151 10 0 EEAELP C[C@@H]1CC=CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000898885098 693507508 /nfs/dbraw/zinc/50/75/08/693507508.db2.gz BCAVKAZHKPIEAG-BPQIPLTHSA-N 2 2 334.508 2.151 10 0 EEAELP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1)[NH+](C)C ZINC001485534044 1191830484 /nfs/dbraw/zinc/83/04/84/1191830484.db2.gz XVZNNRXVEGTXFO-DOMZBBRYSA-N 2 2 338.883 2.012 10 0 EEAELP Cc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001266734128 1177323469 /nfs/dbraw/zinc/32/34/69/1177323469.db2.gz LXLPISYVUKJABX-MRXNPFEDSA-N 2 2 347.463 2.323 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001266871919 1177667890 /nfs/dbraw/zinc/66/78/90/1177667890.db2.gz HLPUIPHRAYPLDB-CDNPWBLBSA-N 2 2 336.867 2.169 10 0 EEAELP O=C(NC[C@@H]1CCC[N@H+]1CCCCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267271244 1178649814 /nfs/dbraw/zinc/64/98/14/1178649814.db2.gz RJXZLLMAWUYTFQ-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NC[C@@H]1CCC[N@@H+]1CCCCCF)[C@@H]1CCn2c[nH+]cc2C1 ZINC001267271244 1178649820 /nfs/dbraw/zinc/64/98/20/1178649820.db2.gz RJXZLLMAWUYTFQ-CVEARBPZSA-N 2 2 336.455 2.166 10 0 EEAELP CC1(C)CC(C[N@H+](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C2CC2)C1 ZINC001481175262 1179997505 /nfs/dbraw/zinc/99/75/05/1179997505.db2.gz HPEPKXDVSXADGY-MRXNPFEDSA-N 2 2 344.503 2.462 10 0 EEAELP CC1(C)CC(C[N@@H+](CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C2CC2)C1 ZINC001481175262 1179997509 /nfs/dbraw/zinc/99/75/09/1179997509.db2.gz HPEPKXDVSXADGY-MRXNPFEDSA-N 2 2 344.503 2.462 10 0 EEAELP CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001481400120 1181212324 /nfs/dbraw/zinc/21/23/24/1181212324.db2.gz DHUSRKUQHDKIHP-DLBZAZTESA-N 2 2 330.476 2.168 10 0 EEAELP CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001481400120 1181212332 /nfs/dbraw/zinc/21/23/32/1181212332.db2.gz DHUSRKUQHDKIHP-DLBZAZTESA-N 2 2 330.476 2.168 10 0 EEAELP CC(C)COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481528883 1181654226 /nfs/dbraw/zinc/65/42/26/1181654226.db2.gz QZEJZULPNBEMKP-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)COCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481528883 1181654233 /nfs/dbraw/zinc/65/42/33/1181654233.db2.gz QZEJZULPNBEMKP-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP CCC[N@H+](C)CCC(=O)NC1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001481596907 1181834509 /nfs/dbraw/zinc/83/45/09/1181834509.db2.gz HWLOTXNDEIMXEB-HNNXBMFYSA-N 2 2 333.476 2.289 10 0 EEAELP CCC[N@@H+](C)CCC(=O)NC1C[NH+]([C@@H](C)c2cccc(OC)c2)C1 ZINC001481596907 1181834513 /nfs/dbraw/zinc/83/45/13/1181834513.db2.gz HWLOTXNDEIMXEB-HNNXBMFYSA-N 2 2 333.476 2.289 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1 ZINC001481630606 1181949839 /nfs/dbraw/zinc/94/98/39/1181949839.db2.gz MLIUZLRADHYCES-UHFFFAOYSA-N 2 2 331.460 2.117 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCOCC2CCC2)C1)n1cc[nH+]c1 ZINC001268224746 1182036964 /nfs/dbraw/zinc/03/69/64/1182036964.db2.gz OAHRADRBKYZXJB-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CCOCC2CCC2)C1)n1cc[nH+]c1 ZINC001268224746 1182036968 /nfs/dbraw/zinc/03/69/68/1182036968.db2.gz OAHRADRBKYZXJB-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001268383544 1182416730 /nfs/dbraw/zinc/41/67/30/1182416730.db2.gz AELVBHWXBMDFMR-MRXNPFEDSA-N 2 2 328.460 2.346 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001481775231 1182670799 /nfs/dbraw/zinc/67/07/99/1182670799.db2.gz LPTKAZKJRUFIFT-YOEHRIQHSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001481775231 1182670804 /nfs/dbraw/zinc/67/08/04/1182670804.db2.gz LPTKAZKJRUFIFT-YOEHRIQHSA-N 2 2 345.447 2.254 10 0 EEAELP Cc1nc(C[NH2+]CC2(NC(=O)C[C@H](C)n3cc[nH+]c3)CCCC2)co1 ZINC001481907294 1182924486 /nfs/dbraw/zinc/92/44/86/1182924486.db2.gz JRDNYLDRDOBYAM-AWEZNQCLSA-N 2 2 345.447 2.349 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001481981832 1183076804 /nfs/dbraw/zinc/07/68/04/1183076804.db2.gz ZSRZUDWUGRINSE-ROUUACIJSA-N 2 2 344.503 2.464 10 0 EEAELP CO[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481981806 1183077013 /nfs/dbraw/zinc/07/70/13/1183077013.db2.gz YUPMPPQOUSFMPQ-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1cc(C)cc(C[NH2+]C/C=C/CNC(=O)CCc2c[nH+]cn2C)c1 ZINC001268620923 1183540602 /nfs/dbraw/zinc/54/06/02/1183540602.db2.gz GFIDZTKHZSLLHO-SNAWJCMRSA-N 2 2 340.471 2.432 10 0 EEAELP C[C@H](C[NH2+]CCC[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268650885 1183579862 /nfs/dbraw/zinc/57/98/62/1183579862.db2.gz CAGGOXKHFYEOSJ-ZIAGYGMSSA-N 2 2 330.432 2.088 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268775322 1183693472 /nfs/dbraw/zinc/69/34/72/1183693472.db2.gz LXWJJQXMNQXNAG-NWDGAFQWSA-N 2 2 332.370 2.169 10 0 EEAELP CC(C)=CC[N@@H+]1CCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001270700315 1185325079 /nfs/dbraw/zinc/32/50/79/1185325079.db2.gz FPFSUHIJQSCATR-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP CC(C)=CC[N@H+]1CCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001270700315 1185325090 /nfs/dbraw/zinc/32/50/90/1185325090.db2.gz FPFSUHIJQSCATR-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001482369501 1185533176 /nfs/dbraw/zinc/53/31/76/1185533176.db2.gz MWOZSLNNWCQPHR-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001482369501 1185533177 /nfs/dbraw/zinc/53/31/77/1185533177.db2.gz MWOZSLNNWCQPHR-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C2CCCCC2)on1 ZINC001482413726 1185646058 /nfs/dbraw/zinc/64/60/58/1185646058.db2.gz XDFNVGJNNCQMJZ-KRWDZBQOSA-N 2 2 345.447 2.034 10 0 EEAELP COCCCC[NH+]1CCC2(CN(C(=O)CCCn3cc[nH+]c3)C2)CC1 ZINC001280394214 1186175383 /nfs/dbraw/zinc/17/53/83/1186175383.db2.gz FDYSGJACDCYMIR-UHFFFAOYSA-N 2 2 348.491 2.014 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001271552221 1186305614 /nfs/dbraw/zinc/30/56/14/1186305614.db2.gz QDRVVVFFQVTNKZ-INIZCTEOSA-N 2 2 337.439 2.353 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)c1cccc2[nH+]ccn21 ZINC001482854721 1187776731 /nfs/dbraw/zinc/77/67/31/1187776731.db2.gz OGHIOHRTQMYJSE-ZDUSSCGKSA-N 2 2 341.390 2.167 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CCn2cc[nH+]c2)c(C)s1 ZINC001482859255 1187780737 /nfs/dbraw/zinc/78/07/37/1187780737.db2.gz HHHUQSTUJCIZHZ-LBPRGKRZSA-N 2 2 335.477 2.031 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482914787 1187839694 /nfs/dbraw/zinc/83/96/94/1187839694.db2.gz UEXCXYYJGBTONW-AWEZNQCLSA-N 2 2 336.480 2.004 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)[C@@H]1CCC[N@H+]1C ZINC001482914787 1187839696 /nfs/dbraw/zinc/83/96/96/1187839696.db2.gz UEXCXYYJGBTONW-AWEZNQCLSA-N 2 2 336.480 2.004 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001482930577 1187852345 /nfs/dbraw/zinc/85/23/45/1187852345.db2.gz JUBMXLKWAJKBBL-DLBZAZTESA-N 2 2 348.491 2.246 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001482930577 1187852350 /nfs/dbraw/zinc/85/23/50/1187852350.db2.gz JUBMXLKWAJKBBL-DLBZAZTESA-N 2 2 348.491 2.246 10 0 EEAELP CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001482955027 1187881575 /nfs/dbraw/zinc/88/15/75/1187881575.db2.gz UHDIBRMHIBSAGZ-CYBMUJFWSA-N 2 2 349.866 2.275 10 0 EEAELP CCN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001482955027 1187881581 /nfs/dbraw/zinc/88/15/81/1187881581.db2.gz UHDIBRMHIBSAGZ-CYBMUJFWSA-N 2 2 349.866 2.275 10 0 EEAELP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272866119 1193583213 /nfs/dbraw/zinc/58/32/13/1193583213.db2.gz RGEPPSOCBXIFHK-LLVKDONJSA-N 2 2 329.429 2.318 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]Cc2c(C)noc2C)c[nH+]1 ZINC001409341976 1189546808 /nfs/dbraw/zinc/54/68/08/1189546808.db2.gz CAWWPMSEHSFQQI-STQMWFEESA-N 2 2 347.463 2.214 10 0 EEAELP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCc2ccccc21 ZINC001485906571 1193635624 /nfs/dbraw/zinc/63/56/24/1193635624.db2.gz PJEDGGKKKQDURE-QAPCUYQASA-N 2 2 326.444 2.397 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1F ZINC001409472352 1189786739 /nfs/dbraw/zinc/78/67/39/1189786739.db2.gz RSUCMWSHADAZFA-GHMZBOCLSA-N 2 2 336.386 2.222 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001483392506 1190436628 /nfs/dbraw/zinc/43/66/28/1190436628.db2.gz ZHHYCLLRISYVBA-STQMWFEESA-N 2 2 333.436 2.076 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001483392506 1190436633 /nfs/dbraw/zinc/43/66/33/1190436633.db2.gz ZHHYCLLRISYVBA-STQMWFEESA-N 2 2 333.436 2.076 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccns1 ZINC001483393806 1190438407 /nfs/dbraw/zinc/43/84/07/1190438407.db2.gz VAXXGABXICDEHM-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccns1 ZINC001483393806 1190438408 /nfs/dbraw/zinc/43/84/08/1190438408.db2.gz VAXXGABXICDEHM-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccns1 ZINC001483393806 1190438410 /nfs/dbraw/zinc/43/84/10/1190438410.db2.gz VAXXGABXICDEHM-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccns1 ZINC001483393806 1190438411 /nfs/dbraw/zinc/43/84/11/1190438411.db2.gz VAXXGABXICDEHM-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400790 1190444173 /nfs/dbraw/zinc/44/41/73/1190444173.db2.gz NUVQZENNRMRZLX-UKRRQHHQSA-N 2 2 333.411 2.066 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400790 1190444175 /nfs/dbraw/zinc/44/41/75/1190444175.db2.gz NUVQZENNRMRZLX-UKRRQHHQSA-N 2 2 333.411 2.066 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001486131786 1193690104 /nfs/dbraw/zinc/69/01/04/1193690104.db2.gz UDTVCIJLCVXZJV-CZUORRHYSA-N 2 2 345.447 2.047 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001272320708 1190759774 /nfs/dbraw/zinc/75/97/74/1190759774.db2.gz CMBWRATUNISVCL-DLBZAZTESA-N 2 2 348.491 2.034 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001272474918 1190840641 /nfs/dbraw/zinc/84/06/41/1190840641.db2.gz KRLWLNWKQKWKLA-DLBZAZTESA-N 2 2 330.476 2.074 10 0 EEAELP CC(C)c1cnc(C[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001483742925 1190894832 /nfs/dbraw/zinc/89/48/32/1190894832.db2.gz OKQUKIKGXILVGC-OAHLLOKOSA-N 2 2 348.491 2.411 10 0 EEAELP CC(C)c1cnc(C[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001483742925 1190894835 /nfs/dbraw/zinc/89/48/35/1190894835.db2.gz OKQUKIKGXILVGC-OAHLLOKOSA-N 2 2 348.491 2.411 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1([NH2+][C@@H](C)c2cc(F)ccc2F)CC1 ZINC001483752620 1190940217 /nfs/dbraw/zinc/94/02/17/1190940217.db2.gz OUEYRCOPNPMUIQ-ZDUSSCGKSA-N 2 2 348.397 2.469 10 0 EEAELP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]Cc3cscn3)CC2)C1 ZINC001483783281 1191036046 /nfs/dbraw/zinc/03/60/46/1191036046.db2.gz KVUXZBGFFWUZGO-DZGCQCFKSA-N 2 2 336.505 2.002 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCF)C1 ZINC001483803041 1191044963 /nfs/dbraw/zinc/04/49/63/1191044963.db2.gz YSGGWEPZMHYOFK-SJORKVTESA-N 2 2 336.455 2.336 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCF)C1 ZINC001483803041 1191044965 /nfs/dbraw/zinc/04/49/65/1191044965.db2.gz YSGGWEPZMHYOFK-SJORKVTESA-N 2 2 336.455 2.336 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]CCF)c1ccc2ccccc2c1 ZINC001483992884 1191146745 /nfs/dbraw/zinc/14/67/45/1191146745.db2.gz QGLGDTDLAYUAKR-SFHVURJKSA-N 2 2 340.402 2.453 10 0 EEAELP CC[C@@H](C)C[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001484681782 1191469523 /nfs/dbraw/zinc/46/95/23/1191469523.db2.gz ZKGHZKWTKURYCP-HIFRSBDPSA-N 2 2 330.432 2.040 10 0 EEAELP CCc1nocc1C[N@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001484765805 1191520589 /nfs/dbraw/zinc/52/05/89/1191520589.db2.gz SIELIBWTHKBGML-UHFFFAOYSA-N 2 2 347.463 2.218 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001484765805 1191520591 /nfs/dbraw/zinc/52/05/91/1191520591.db2.gz SIELIBWTHKBGML-UHFFFAOYSA-N 2 2 347.463 2.218 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001485200091 1191683207 /nfs/dbraw/zinc/68/32/07/1191683207.db2.gz HYMCPZVJJCLAOM-ZIAGYGMSSA-N 2 2 326.444 2.124 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001485229599 1191698988 /nfs/dbraw/zinc/69/89/88/1191698988.db2.gz ZDADDTZJVBQOCL-OLZOCXBDSA-N 2 2 341.415 2.016 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001485235430 1191700956 /nfs/dbraw/zinc/70/09/56/1191700956.db2.gz WYOGEZILIXUMPY-IRMRGROASA-N 2 2 326.444 2.469 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCC[NH+]2C(C)C)n1 ZINC001485299431 1191725214 /nfs/dbraw/zinc/72/52/14/1191725214.db2.gz KARQPXVOAVSEKA-SJLPKXTDSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCC[NH+]2C(C)C)n1 ZINC001485299431 1191725215 /nfs/dbraw/zinc/72/52/15/1191725215.db2.gz KARQPXVOAVSEKA-SJLPKXTDSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001485299431 1191725216 /nfs/dbraw/zinc/72/52/16/1191725216.db2.gz KARQPXVOAVSEKA-SJLPKXTDSA-N 2 2 349.523 2.273 10 0 EEAELP CC(C)n1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)n1 ZINC001485299431 1191725217 /nfs/dbraw/zinc/72/52/17/1191725217.db2.gz KARQPXVOAVSEKA-SJLPKXTDSA-N 2 2 349.523 2.273 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)co1 ZINC001486183714 1193723371 /nfs/dbraw/zinc/72/33/71/1193723371.db2.gz LGXIJTOYIZRDAN-PBHICJAKSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)co1 ZINC001486183714 1193723375 /nfs/dbraw/zinc/72/33/75/1193723375.db2.gz LGXIJTOYIZRDAN-PBHICJAKSA-N 2 2 336.480 2.184 10 0 EEAELP CCC(CC)C[N@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001486343693 1193851129 /nfs/dbraw/zinc/85/11/29/1193851129.db2.gz PAONFXPTZITYJG-MRXNPFEDSA-N 2 2 346.475 2.135 10 0 EEAELP CCC(CC)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001486343693 1193851131 /nfs/dbraw/zinc/85/11/31/1193851131.db2.gz PAONFXPTZITYJG-MRXNPFEDSA-N 2 2 346.475 2.135 10 0 EEAELP CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486371225 1193876036 /nfs/dbraw/zinc/87/60/36/1193876036.db2.gz MFYMOXBHLRHDQD-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCC1CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001486371225 1193876039 /nfs/dbraw/zinc/87/60/39/1193876039.db2.gz MFYMOXBHLRHDQD-QGZVFWFLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@@H](C)CN(C)C(=O)CCn2cc[nH+]c2)n1 ZINC001410422476 1197851452 /nfs/dbraw/zinc/85/14/52/1197851452.db2.gz KZBRLUJMJWXQDA-INIZCTEOSA-N 2 2 343.475 2.428 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001273376849 1198399390 /nfs/dbraw/zinc/39/93/90/1198399390.db2.gz ZRWJTKBYSWUXIG-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP CCN(CC[NH2+]Cc1nc(C)c(C)o1)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001273376849 1198399397 /nfs/dbraw/zinc/39/93/97/1198399397.db2.gz ZRWJTKBYSWUXIG-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)o1 ZINC001411115341 1198811094 /nfs/dbraw/zinc/81/10/94/1198811094.db2.gz WLRMEJVCULJYFC-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)o1 ZINC001411115341 1198811096 /nfs/dbraw/zinc/81/10/96/1198811096.db2.gz WLRMEJVCULJYFC-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC001411245173 1198965148 /nfs/dbraw/zinc/96/51/48/1198965148.db2.gz FYTGJOJRJPKCIN-ZOODHJKOSA-N 2 2 340.418 2.213 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC001411245173 1198965153 /nfs/dbraw/zinc/96/51/53/1198965153.db2.gz FYTGJOJRJPKCIN-ZOODHJKOSA-N 2 2 340.418 2.213 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000870911602 1200948348 /nfs/dbraw/zinc/94/83/48/1200948348.db2.gz YQFMZXYPCGZRQD-NFEYRSLZSA-N 2 2 349.425 2.358 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000870911602 1200948352 /nfs/dbraw/zinc/94/83/52/1200948352.db2.gz YQFMZXYPCGZRQD-NFEYRSLZSA-N 2 2 349.425 2.358 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)C(C)(F)F)C2)CC1 ZINC000868288681 1201784012 /nfs/dbraw/zinc/78/40/12/1201784012.db2.gz DSICQCKPMFFIRY-ZDUSSCGKSA-N 2 2 346.466 2.136 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC(C)(C)C(C)(F)F)C2)CC1 ZINC000868288681 1201784015 /nfs/dbraw/zinc/78/40/15/1201784015.db2.gz DSICQCKPMFFIRY-ZDUSSCGKSA-N 2 2 346.466 2.136 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2cc3occc3[nH]2)([NH+]2CCCCC2)CC1 ZINC000133537895 1202206798 /nfs/dbraw/zinc/20/67/98/1202206798.db2.gz KTRHVSUTXNSGKU-UHFFFAOYSA-N 2 2 344.459 2.441 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001274534368 1205070285 /nfs/dbraw/zinc/07/02/85/1205070285.db2.gz LNUAIFJZLHOITP-SFAKSCPVSA-N 2 2 340.418 2.348 10 0 EEAELP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001276057823 1205755686 /nfs/dbraw/zinc/75/56/86/1205755686.db2.gz GEQBSCMCOZZJCR-HZPDHXFCSA-N 2 2 348.397 2.430 10 0 EEAELP CN(CCC[NH2+]Cc1cc(F)cc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001276057823 1205755688 /nfs/dbraw/zinc/75/56/88/1205755688.db2.gz GEQBSCMCOZZJCR-HZPDHXFCSA-N 2 2 348.397 2.430 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001276084620 1205770012 /nfs/dbraw/zinc/77/00/12/1205770012.db2.gz NWDRNMVNASGSJV-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@@H]1C[C@H](C[NH2+]CCCN(C)C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001276127843 1205790584 /nfs/dbraw/zinc/79/05/84/1205790584.db2.gz HJTDEOXJZYJZHL-HZPDHXFCSA-N 2 2 344.459 2.201 10 0 EEAELP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000925322005 1206096398 /nfs/dbraw/zinc/09/63/98/1206096398.db2.gz UFZQHPNYXJWSAT-QZTJIDSGSA-N 2 2 331.460 2.032 10 0 EEAELP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000925322005 1206096399 /nfs/dbraw/zinc/09/63/99/1206096399.db2.gz UFZQHPNYXJWSAT-QZTJIDSGSA-N 2 2 331.460 2.032 10 0 EEAELP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925784793 1206153389 /nfs/dbraw/zinc/15/33/89/1206153389.db2.gz SGSQDBZBDDGYEE-QWHCGFSZSA-N 2 2 342.386 2.134 10 0 EEAELP Cc1cn2cc(NC(=O)N3CC[C@H](C(F)(F)F)[C@H]([NH3+])C3)ccc2[nH+]1 ZINC000926008871 1206181439 /nfs/dbraw/zinc/18/14/39/1206181439.db2.gz JDFPFNMIWUTQND-NWDGAFQWSA-N 2 2 341.337 2.386 10 0 EEAELP C[N@H+](C[C@@H](O)C1(O)CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982622 1206525083 /nfs/dbraw/zinc/52/50/83/1206525083.db2.gz PUGJEBLATHYXRH-LJQANCHMSA-N 2 2 332.488 2.249 10 0 EEAELP C[N@@H+](C[C@@H](O)C1(O)CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982622 1206525085 /nfs/dbraw/zinc/52/50/85/1206525085.db2.gz PUGJEBLATHYXRH-LJQANCHMSA-N 2 2 332.488 2.249 10 0 EEAELP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)C1 ZINC000929982338 1206525222 /nfs/dbraw/zinc/52/52/22/1206525222.db2.gz SLYBGKXANICIMB-XHSDSOJGSA-N 2 2 349.441 2.198 10 0 EEAELP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)C1 ZINC000929982338 1206525224 /nfs/dbraw/zinc/52/52/24/1206525224.db2.gz SLYBGKXANICIMB-XHSDSOJGSA-N 2 2 349.441 2.198 10 0 EEAELP Cc1ccc(N2CC[C@H]([NH+]3C[C@@]4(C)C[N@@H+](C)C[C@@]4(C)C3)C2=O)cc1 ZINC000931310450 1206623538 /nfs/dbraw/zinc/62/35/38/1206623538.db2.gz KKPHIWZMFHIENQ-YSIASYRMSA-N 2 2 327.472 2.374 10 0 EEAELP Cc1ccc(N2CC[C@H]([NH+]3C[C@@]4(C)C[N@H+](C)C[C@@]4(C)C3)C2=O)cc1 ZINC000931310450 1206623539 /nfs/dbraw/zinc/62/35/39/1206623539.db2.gz KKPHIWZMFHIENQ-YSIASYRMSA-N 2 2 327.472 2.374 10 0 EEAELP Cc1ccc(N2CC[C@H]([N@@H+]3C[C@@]4(C)C[NH+](C)C[C@@]4(C)C3)C2=O)cc1 ZINC000931310450 1206623540 /nfs/dbraw/zinc/62/35/40/1206623540.db2.gz KKPHIWZMFHIENQ-YSIASYRMSA-N 2 2 327.472 2.374 10 0 EEAELP Cc1ccc(N2CC[C@H]([N@H+]3C[C@@]4(C)C[NH+](C)C[C@@]4(C)C3)C2=O)cc1 ZINC000931310450 1206623541 /nfs/dbraw/zinc/62/35/41/1206623541.db2.gz KKPHIWZMFHIENQ-YSIASYRMSA-N 2 2 327.472 2.374 10 0 EEAELP Cc1[nH]ncc1C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717985711 1211683686 /nfs/dbraw/zinc/68/36/86/1211683686.db2.gz REDXJCNOWCDYNG-UHFFFAOYSA-N 2 2 328.460 2.225 10 0 EEAELP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](C)CN2CCOCC2)CC1 ZINC001412979474 1216331174 /nfs/dbraw/zinc/33/11/74/1216331174.db2.gz CLBJFLKKLIXQFS-INIZCTEOSA-N 2 2 333.476 2.202 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000900693380 1234668338 /nfs/dbraw/zinc/66/83/38/1234668338.db2.gz REFRODVGNRBHQR-ZXFUBFMLSA-N 2 2 339.549 2.145 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000900693380 1234668342 /nfs/dbraw/zinc/66/83/42/1234668342.db2.gz REFRODVGNRBHQR-ZXFUBFMLSA-N 2 2 339.549 2.145 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000901275691 1235466928 /nfs/dbraw/zinc/46/69/28/1235466928.db2.gz JRJUPFWJXWYREL-UHFFFAOYSA-N 2 2 341.459 2.161 10 0 EEAELP C[N@H+]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C(C)(C)C1 ZINC000901275691 1235466931 /nfs/dbraw/zinc/46/69/31/1235466931.db2.gz JRJUPFWJXWYREL-UHFFFAOYSA-N 2 2 341.459 2.161 10 0 EEAELP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901307235 1235518381 /nfs/dbraw/zinc/51/83/81/1235518381.db2.gz MTPWNEMFLYYPKG-HZPDHXFCSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901307235 1235518383 /nfs/dbraw/zinc/51/83/83/1235518383.db2.gz MTPWNEMFLYYPKG-HZPDHXFCSA-N 2 2 341.459 2.160 10 0 EEAELP CC(C)O[C@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCOC1 ZINC000903361238 1240308012 /nfs/dbraw/zinc/30/80/12/1240308012.db2.gz QPGIJJSJXQONCE-IBGZPJMESA-N 2 2 333.476 2.220 10 0 EEAELP O=S(=O)(CCC[NH2+][C@H]1CC[NH2+]C12CCCC2)c1ccc(F)cc1 ZINC000903484648 1240621192 /nfs/dbraw/zinc/62/11/92/1240621192.db2.gz UMOWDRQSIYSRFC-INIZCTEOSA-N 2 2 340.464 2.254 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001491542498 1245854674 /nfs/dbraw/zinc/85/46/74/1245854674.db2.gz HWXAKZTUKUPFOH-LRDDRELGSA-N 2 2 348.397 2.333 10 0 EEAELP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001491031191 1258588480 /nfs/dbraw/zinc/58/84/80/1258588480.db2.gz DWPIMIVEYUXHHE-KUFDGEAHSA-N 2 2 330.476 2.429 10 0 EEAELP Cc1cnc(C[N@@H+]2CCCC[C@H]2CNC(=O)Cn2c[nH+]cc2C)s1 ZINC001491216804 1258795328 /nfs/dbraw/zinc/79/53/28/1258795328.db2.gz LAJJAZNTTPUSHZ-HNNXBMFYSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1cnc(C[N@H+]2CCCC[C@H]2CNC(=O)Cn2c[nH+]cc2C)s1 ZINC001491216804 1258795335 /nfs/dbraw/zinc/79/53/35/1258795335.db2.gz LAJJAZNTTPUSHZ-HNNXBMFYSA-N 2 2 347.488 2.127 10 0 EEAELP C[C@H]1CCCC[C@@H]1OCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001488778294 1290188306 /nfs/dbraw/zinc/18/83/06/1290188306.db2.gz ACUPSMUTVYTEBX-NXOAAHMSSA-N 2 2 348.491 2.032 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@H]1C[C@H]([NH2+]CCC(F)(F)F)C1 ZINC001488835483 1290257428 /nfs/dbraw/zinc/25/74/28/1290257428.db2.gz YRVGDOGVGJCGMO-AULYBMBSSA-N 2 2 345.365 2.070 10 0 EEAELP CC[N@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CCOC1 ZINC001490337976 1291237488 /nfs/dbraw/zinc/23/74/88/1291237488.db2.gz QUYWCUHBXGUUQX-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1c(C)cc(C)[nH+]c1C)C[C@H]1CCOC1 ZINC001490337976 1291237497 /nfs/dbraw/zinc/23/74/97/1291237497.db2.gz QUYWCUHBXGUUQX-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@@H+]1C ZINC000851798124 1291842299 /nfs/dbraw/zinc/84/22/99/1291842299.db2.gz YIDYJSYQPNZVSZ-PMPSAXMXSA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@H+]1C ZINC000851798124 1291842308 /nfs/dbraw/zinc/84/23/08/1291842308.db2.gz YIDYJSYQPNZVSZ-PMPSAXMXSA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH+]1C ZINC000851798124 1291842319 /nfs/dbraw/zinc/84/23/19/1291842319.db2.gz YIDYJSYQPNZVSZ-PMPSAXMXSA-N 2 2 341.496 2.037 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH+]1C ZINC000851798124 1291842328 /nfs/dbraw/zinc/84/23/28/1291842328.db2.gz YIDYJSYQPNZVSZ-PMPSAXMXSA-N 2 2 341.496 2.037 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760527 1292190097 /nfs/dbraw/zinc/19/00/97/1292190097.db2.gz HMMDSLYCOLUOFK-WMLDXEAASA-N 2 2 328.403 2.041 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)c2ccc(F)c(F)c2)CCO1 ZINC000852760527 1292190101 /nfs/dbraw/zinc/19/01/01/1292190101.db2.gz HMMDSLYCOLUOFK-WMLDXEAASA-N 2 2 328.403 2.041 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\c1nc2ccccc2s1 ZINC000855415938 1293209245 /nfs/dbraw/zinc/20/92/45/1293209245.db2.gz CFKCQRADIIQFTQ-KTKRTIGZSA-N 2 2 346.500 2.309 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\c1nc2ccccc2s1 ZINC000855415938 1293209247 /nfs/dbraw/zinc/20/92/47/1293209247.db2.gz CFKCQRADIIQFTQ-KTKRTIGZSA-N 2 2 346.500 2.309 10 0 EEAELP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncccn3)C2)ccn1 ZINC000856604121 1293579230 /nfs/dbraw/zinc/57/92/30/1293579230.db2.gz JNWBFGIZQNWOFF-GOSISDBHSA-N 2 2 341.459 2.365 10 0 EEAELP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncccn3)C2)ccn1 ZINC000856604121 1293579237 /nfs/dbraw/zinc/57/92/37/1293579237.db2.gz JNWBFGIZQNWOFF-GOSISDBHSA-N 2 2 341.459 2.365 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncccn3)C2)ccn1 ZINC000856604121 1293579242 /nfs/dbraw/zinc/57/92/42/1293579242.db2.gz JNWBFGIZQNWOFF-GOSISDBHSA-N 2 2 341.459 2.365 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncccn3)C2)ccn1 ZINC000856604121 1293579247 /nfs/dbraw/zinc/57/92/47/1293579247.db2.gz JNWBFGIZQNWOFF-GOSISDBHSA-N 2 2 341.459 2.365 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000862453092 1295851328 /nfs/dbraw/zinc/85/13/28/1295851328.db2.gz JOJRWZMMCQAIPQ-KRWDZBQOSA-N 2 2 347.503 2.472 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@@H+]1CC1=CCCCC1 ZINC001276854002 1299936691 /nfs/dbraw/zinc/93/66/91/1299936691.db2.gz QFSZMNYMYGUUBQ-SFHVURJKSA-N 2 2 342.487 2.453 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001276854002 1299936696 /nfs/dbraw/zinc/93/66/96/1299936696.db2.gz QFSZMNYMYGUUBQ-SFHVURJKSA-N 2 2 342.487 2.453 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CCCC[NH+](C)C)no1 ZINC001277359597 1302640057 /nfs/dbraw/zinc/64/00/57/1302640057.db2.gz FXEVAYAISOKZDI-MSOLQXFVSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CCCC[NH+](C)C)no1 ZINC001277359597 1302640063 /nfs/dbraw/zinc/64/00/63/1302640063.db2.gz FXEVAYAISOKZDI-MSOLQXFVSA-N 2 2 348.491 2.280 10 0 EEAELP C[C@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCOCC1)n1cc[nH+]c1 ZINC001277948220 1305247197 /nfs/dbraw/zinc/24/71/97/1305247197.db2.gz SJQWVSKZPJVJLH-SJLPKXTDSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)CN1C(=O)Cn1cc[nH+]c1 ZINC001278424997 1310207052 /nfs/dbraw/zinc/20/70/52/1310207052.db2.gz YIUBCYDRSIWVTK-MAUKXSAKSA-N 2 2 344.434 2.234 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n(-c2ccccn2)n1 ZINC000842678799 1315752778 /nfs/dbraw/zinc/75/27/78/1315752778.db2.gz AIBBEPJGIWULAC-SFHVURJKSA-N 2 2 341.459 2.000 10 0 EEAELP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)Cc1ccc2cc[nH]c2c1 ZINC001265018136 1322863326 /nfs/dbraw/zinc/86/33/26/1322863326.db2.gz FFSDTGARTSAGCV-UHFFFAOYSA-N 2 2 339.443 2.393 10 0 EEAELP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)Cc1ccc2cc[nH]c2c1 ZINC001265018136 1322863330 /nfs/dbraw/zinc/86/33/30/1322863330.db2.gz FFSDTGARTSAGCV-UHFFFAOYSA-N 2 2 339.443 2.393 10 0 EEAELP Cc1cccn2cc(CC(=O)NCCC[N@@H+](C)CCC3CC3)[nH+]c12 ZINC001265048328 1322889312 /nfs/dbraw/zinc/88/93/12/1322889312.db2.gz PUHALAKXBSZTSB-UHFFFAOYSA-N 2 2 328.460 2.423 10 0 EEAELP Cc1cccn2cc(CC(=O)NCCC[N@H+](C)CCC3CC3)[nH+]c12 ZINC001265048328 1322889315 /nfs/dbraw/zinc/88/93/15/1322889315.db2.gz PUHALAKXBSZTSB-UHFFFAOYSA-N 2 2 328.460 2.423 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265292572 1323042160 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/nfs/dbraw/zinc/97/47/99/1323974799.db2.gz UEDURXFMXFMDNE-UHFFFAOYSA-N 2 2 334.291 2.396 10 0 EEAELP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+](CC=C(Cl)Cl)CC1 ZINC001279669196 1323974800 /nfs/dbraw/zinc/97/48/00/1323974800.db2.gz UEDURXFMXFMDNE-UHFFFAOYSA-N 2 2 334.291 2.396 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001280208006 1324115340 /nfs/dbraw/zinc/11/53/40/1324115340.db2.gz QSXHPBDFGQICDI-HNNXBMFYSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CCC[C@H]1CCOC1 ZINC001280459875 1324237008 /nfs/dbraw/zinc/23/70/08/1324237008.db2.gz NMZUKRBFYCGPEP-DLBZAZTESA-N 2 2 348.491 2.048 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C3CC3)ccn12 ZINC001276587940 1324667695 /nfs/dbraw/zinc/66/76/95/1324667695.db2.gz CGDHKFJPXWAQNU-ZBBQIYFKSA-N 2 2 332.835 2.493 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001316626539 1326051942 /nfs/dbraw/zinc/05/19/42/1326051942.db2.gz VIEOPYGJIADJOL-BETUJISGSA-N 2 2 346.397 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ZINC001316835324 1331922999 /nfs/dbraw/zinc/92/29/99/1331922999.db2.gz NHHKVRYXJISTKQ-HUUCEWRRSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)Cc1nccs1 ZINC001316835324 1331923001 /nfs/dbraw/zinc/92/30/01/1331923001.db2.gz NHHKVRYXJISTKQ-HUUCEWRRSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)Cc1nccs1 ZINC001316835324 1331923002 /nfs/dbraw/zinc/92/30/02/1331923002.db2.gz NHHKVRYXJISTKQ-HUUCEWRRSA-N 2 2 336.505 2.098 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC1CC(C)C1 ZINC001316895655 1331962425 /nfs/dbraw/zinc/96/24/25/1331962425.db2.gz QTCWGYLGJAQOOL-JCYILVPMSA-N 2 2 332.492 2.320 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC1CC(C)C1 ZINC001316895655 1331962426 /nfs/dbraw/zinc/96/24/26/1331962426.db2.gz QTCWGYLGJAQOOL-JCYILVPMSA-N 2 2 332.492 2.320 10 0 EEAELP C[C@@H](c1ncccn1)[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001316935096 1332000883 /nfs/dbraw/zinc/00/08/83/1332000883.db2.gz DSHKUEUKLYGDAQ-INIZCTEOSA-N 2 2 347.507 2.192 10 0 EEAELP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001320469236 1332891429 /nfs/dbraw/zinc/89/14/29/1332891429.db2.gz NTSLAKFVXBYCMO-NVXWUHKLSA-N 2 2 330.476 2.430 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001321129165 1333026399 /nfs/dbraw/zinc/02/63/99/1333026399.db2.gz YKCZSQHNOJLUEJ-WZHGYECESA-N 2 2 342.487 2.288 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CCC3CCOCC3)ccn12 ZINC001321513697 1333116227 /nfs/dbraw/zinc/11/62/27/1333116227.db2.gz FMLXERDFHRJPSI-CQSZACIVSA-N 2 2 344.459 2.167 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1=CC[N@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001333377076 1336025437 /nfs/dbraw/zinc/02/54/37/1336025437.db2.gz FYLWEDUHAHTFCF-CEXWTWQISA-N 2 2 342.487 2.458 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1=CC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001333377076 1336025442 /nfs/dbraw/zinc/02/54/42/1336025442.db2.gz FYLWEDUHAHTFCF-CEXWTWQISA-N 2 2 342.487 2.458 10 0 EEAELP Cc1ccc(C[N@H+]2CC=C(CNC(=O)Cc3c[nH+]cn3C)CC2)cc1 ZINC001333433165 1336045934 /nfs/dbraw/zinc/04/59/34/1336045934.db2.gz JWDBWXWYQPEFAJ-UHFFFAOYSA-N 2 2 338.455 2.220 10 0 EEAELP Cc1ccc(C[N@@H+]2CC=C(CNC(=O)Cc3c[nH+]cn3C)CC2)cc1 ZINC001333433165 1336045939 /nfs/dbraw/zinc/04/59/39/1336045939.db2.gz JWDBWXWYQPEFAJ-UHFFFAOYSA-N 2 2 338.455 2.220 10 0 EEAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001434844895 1341962029 /nfs/dbraw/zinc/96/20/29/1341962029.db2.gz XLDZQBGKPHOTEQ-NVXWUHKLSA-N 2 2 344.434 2.297 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001566725315 1342614897 /nfs/dbraw/zinc/61/48/97/1342614897.db2.gz BFJWCRVDYJBQRL-KRWDZBQOSA-N 2 2 337.427 2.118 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@H+]1CC1CC(F)(F)C1 ZINC001567259961 1342725898 /nfs/dbraw/zinc/72/58/98/1342725898.db2.gz KHLGXFSQKICLSO-HNNXBMFYSA-N 2 2 340.418 2.358 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@@H+]1CC1CC(F)(F)C1 ZINC001567259961 1342725902 /nfs/dbraw/zinc/72/59/02/1342725902.db2.gz KHLGXFSQKICLSO-HNNXBMFYSA-N 2 2 340.418 2.358 10 0 EEAELP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](C)CCO2)CCCCC1 ZINC001570793336 1343115960 /nfs/dbraw/zinc/11/59/60/1343115960.db2.gz MIYVWYCEOOHVFA-QGZVFWFLSA-N 2 2 339.524 2.162 10 0 EEAELP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](C)CCO2)CCCCC1 ZINC001570793336 1343115965 /nfs/dbraw/zinc/11/59/65/1343115965.db2.gz MIYVWYCEOOHVFA-QGZVFWFLSA-N 2 2 339.524 2.162 10 0 EEAELP C[C@@H](F)CC[NH2+]C[C@@H](NC(=O)CCc1c[nH+]cn1C)C(C)(C)C ZINC001571637351 1343257035 /nfs/dbraw/zinc/25/70/35/1343257035.db2.gz UOBBBTNXQWEERZ-UKRRQHHQSA-N 2 2 326.460 2.221 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCCC1CCOCC1 ZINC001676364131 1357141245 /nfs/dbraw/zinc/14/12/45/1357141245.db2.gz CAHQBRIIJKAQCJ-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCCC1CCOCC1 ZINC001676364131 1357141250 /nfs/dbraw/zinc/14/12/50/1357141250.db2.gz CAHQBRIIJKAQCJ-DJIMGWMZSA-N 2 2 348.491 2.157 10 0 EEAELP Cc1cnc([C@H](C)[N@H+]2CC=C(CNC(=O)C[NH+]3CC[C@@H](C)C3)CC2)o1 ZINC001677603125 1357369258 /nfs/dbraw/zinc/36/92/58/1357369258.db2.gz HSSWJRDABOKXEJ-ZBFHGGJFSA-N 2 2 346.475 2.134 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+]2CC=C(CNC(=O)C[NH+]3CC[C@@H](C)C3)CC2)o1 ZINC001677603125 1357369261 /nfs/dbraw/zinc/36/92/61/1357369261.db2.gz HSSWJRDABOKXEJ-ZBFHGGJFSA-N 2 2 346.475 2.134 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001677603125 1357369263 /nfs/dbraw/zinc/36/92/63/1357369263.db2.gz HSSWJRDABOKXEJ-ZBFHGGJFSA-N 2 2 346.475 2.134 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC=C(CNC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001677603125 1357369266 /nfs/dbraw/zinc/36/92/66/1357369266.db2.gz HSSWJRDABOKXEJ-ZBFHGGJFSA-N 2 2 346.475 2.134 10 0 EEAELP Cc1conc1C[NH+]1CC=C(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001677632273 1357378669 /nfs/dbraw/zinc/37/86/69/1357378669.db2.gz JSQGBCYKPPCHQL-IYBDPMFKSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1conc1C[NH+]1CC=C(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001677632273 1357378671 /nfs/dbraw/zinc/37/86/71/1357378671.db2.gz JSQGBCYKPPCHQL-IYBDPMFKSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1conc1C[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001677632273 1357378674 /nfs/dbraw/zinc/37/86/74/1357378674.db2.gz JSQGBCYKPPCHQL-IYBDPMFKSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1conc1C[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001677632273 1357378677 /nfs/dbraw/zinc/37/86/77/1357378677.db2.gz JSQGBCYKPPCHQL-IYBDPMFKSA-N 2 2 346.475 2.104 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001597247302 1349920811 /nfs/dbraw/zinc/92/08/11/1349920811.db2.gz BGLOGYUEPXZOFT-SFHVURJKSA-N 2 2 333.395 2.184 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001597247302 1349920814 /nfs/dbraw/zinc/92/08/14/1349920814.db2.gz BGLOGYUEPXZOFT-SFHVURJKSA-N 2 2 333.395 2.184 10 0 EEAELP C[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC001645996516 1352812884 /nfs/dbraw/zinc/81/28/84/1352812884.db2.gz QLNZQEKMASXXPS-CYBMUJFWSA-N 2 2 327.419 2.068 10 0 EEAELP C[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1F ZINC001645996516 1352812886 /nfs/dbraw/zinc/81/28/86/1352812886.db2.gz QLNZQEKMASXXPS-CYBMUJFWSA-N 2 2 327.419 2.068 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001656322051 1354223264 /nfs/dbraw/zinc/22/32/64/1354223264.db2.gz VNPNTPZKFYRALK-JKSUJKDBSA-N 2 2 344.459 2.247 10 0 EEAELP Cn1ccnc1C[N@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001660203350 1354416303 /nfs/dbraw/zinc/41/63/03/1354416303.db2.gz MVIARRMFVKRGKV-UHFFFAOYSA-N 2 2 349.523 2.011 10 0 EEAELP Cn1ccnc1C[N@@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001660203350 1354416304 /nfs/dbraw/zinc/41/63/04/1354416304.db2.gz MVIARRMFVKRGKV-UHFFFAOYSA-N 2 2 349.523 2.011 10 0 EEAELP Cn1ccnc1C[NH+](C)CCCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001660203350 1354416306 /nfs/dbraw/zinc/41/63/06/1354416306.db2.gz MVIARRMFVKRGKV-UHFFFAOYSA-N 2 2 349.523 2.011 10 0 EEAELP Cn1ccnc1C[NH+](C)CCCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001660203350 1354416308 /nfs/dbraw/zinc/41/63/08/1354416308.db2.gz MVIARRMFVKRGKV-UHFFFAOYSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)Cc2ncc(Cl)s2)C1 ZINC001660304349 1354434607 /nfs/dbraw/zinc/43/46/07/1354434607.db2.gz YKLODTLMBRQQLK-LBPRGKRZSA-N 2 2 344.912 2.076 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)Cc2ncc(Cl)s2)C1 ZINC001660304349 1354434609 /nfs/dbraw/zinc/43/46/09/1354434609.db2.gz YKLODTLMBRQQLK-LBPRGKRZSA-N 2 2 344.912 2.076 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)Cc2ncc(Cl)s2)C1 ZINC001660304349 1354434612 /nfs/dbraw/zinc/43/46/12/1354434612.db2.gz YKLODTLMBRQQLK-LBPRGKRZSA-N 2 2 344.912 2.076 10 0 EEAELP C[C@H](CCNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1cccc(Cl)n1 ZINC001662930212 1354877511 /nfs/dbraw/zinc/87/75/11/1354877511.db2.gz OUCZDCROUPMUOZ-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@H](CCNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1cccc(Cl)n1 ZINC001662930212 1354877519 /nfs/dbraw/zinc/87/75/19/1354877519.db2.gz OUCZDCROUPMUOZ-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[C@@H]1CCC[N@@H+]1C/C=C/Cl ZINC001663120813 1354922622 /nfs/dbraw/zinc/92/26/22/1354922622.db2.gz YLWUQCYMHDLGBM-BCFOUKGLSA-N 2 2 338.883 2.466 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC001663120813 1354922625 /nfs/dbraw/zinc/92/26/25/1354922625.db2.gz YLWUQCYMHDLGBM-BCFOUKGLSA-N 2 2 338.883 2.466 10 0 EEAELP C[C@@H](C[NH2+]CCC[C@@H]1CCOC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001666933359 1355617884 /nfs/dbraw/zinc/61/78/84/1355617884.db2.gz QTQDRVPXXWZRIV-LSDHHAIUSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H](C[NH2+]CCC1CCOCC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001666952261 1355621645 /nfs/dbraw/zinc/62/16/45/1355621645.db2.gz HPOJJRYMVMRDRW-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccccc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001667032654 1355635591 /nfs/dbraw/zinc/63/55/91/1355635591.db2.gz CRLQJBUNCNJWRB-MRXNPFEDSA-N 2 2 328.460 2.032 10 0 EEAELP C[C@H](CC[NH2+][C@H](C)c1nc2ccccc2o1)NC(=O)Cn1cc[nH+]c1 ZINC001668333343 1355925289 /nfs/dbraw/zinc/92/52/89/1355925289.db2.gz YUSFIMADLXNUGN-ZIAGYGMSSA-N 2 2 341.415 2.270 10 0 EEAELP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001668528315 1355957754 /nfs/dbraw/zinc/95/77/54/1355957754.db2.gz DLLPPDVVWVWHGJ-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001668528315 1355957757 /nfs/dbraw/zinc/95/77/57/1355957757.db2.gz DLLPPDVVWVWHGJ-FUHWJXTLSA-N 2 2 339.524 2.114 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001668888088 1356036841 /nfs/dbraw/zinc/03/68/41/1356036841.db2.gz SXYJLGHCNROURC-LQYUOIDQSA-N 2 2 348.491 2.218 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001668888088 1356036846 /nfs/dbraw/zinc/03/68/46/1356036846.db2.gz SXYJLGHCNROURC-LQYUOIDQSA-N 2 2 348.491 2.218 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccc(F)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001669584613 1356179432 /nfs/dbraw/zinc/17/94/32/1356179432.db2.gz RNSPFQITLHRIEN-IACUBPJLSA-N 2 2 348.397 2.128 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccc(F)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001669584613 1356179449 /nfs/dbraw/zinc/17/94/49/1356179449.db2.gz RNSPFQITLHRIEN-IACUBPJLSA-N 2 2 348.397 2.128 10 0 EEAELP C[C@@H]([NH2+]CCCc1ccsc1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001672235902 1356485911 /nfs/dbraw/zinc/48/59/11/1356485911.db2.gz YODRMRSBBIJKOW-GDBMZVCRSA-N 2 2 346.500 2.473 10 0 EEAELP CCCCOCC[N@@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001672568175 1356556391 /nfs/dbraw/zinc/55/63/91/1356556391.db2.gz ZULYWVVKQJFBML-FUHWJXTLSA-N 2 2 348.491 2.000 10 0 EEAELP CCCCOCC[N@H+]1C[C@@H]2CCCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001672568175 1356556393 /nfs/dbraw/zinc/55/63/93/1356556393.db2.gz ZULYWVVKQJFBML-FUHWJXTLSA-N 2 2 348.491 2.000 10 0 EEAELP C[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001674245621 1356806858 /nfs/dbraw/zinc/80/68/58/1356806858.db2.gz UIJFISPNTZDOJY-WDEREUQCSA-N 2 2 333.263 2.021 10 0 EEAELP Cc1cnc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)o1 ZINC001674495863 1356847303 /nfs/dbraw/zinc/84/73/03/1356847303.db2.gz PNKAXPSCXVYYPI-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1cnc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)o1 ZINC001674495863 1356847307 /nfs/dbraw/zinc/84/73/07/1356847307.db2.gz PNKAXPSCXVYYPI-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001675635263 1357022816 /nfs/dbraw/zinc/02/28/16/1357022816.db2.gz MQSGVFWORKEHPW-RCCFBDPRSA-N 2 2 330.476 2.456 10 0 EEAELP CC(C)=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc[nH+]c3)C[C@@H]2C1 ZINC001675635263 1357022822 /nfs/dbraw/zinc/02/28/22/1357022822.db2.gz MQSGVFWORKEHPW-RCCFBDPRSA-N 2 2 330.476 2.456 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001698755695 1405045278 /nfs/dbraw/zinc/04/52/78/1405045278.db2.gz RFDBFQLDBLRMDH-NSHDSACASA-N 2 2 327.388 2.015 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](C)CNC(=O)c2cccc3[nH+]ccn32)s1 ZINC001698756905 1405046812 /nfs/dbraw/zinc/04/68/12/1405046812.db2.gz QZEXQWZNLXYWDF-LBPRGKRZSA-N 2 2 343.456 2.255 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001699294490 1405325667 /nfs/dbraw/zinc/32/56/67/1405325667.db2.gz AIHGZYFUQMWNIT-ZGBIFRBQSA-N 2 2 334.464 2.036 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC001699294490 1405325676 /nfs/dbraw/zinc/32/56/76/1405325676.db2.gz AIHGZYFUQMWNIT-ZGBIFRBQSA-N 2 2 334.464 2.036 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)o1 ZINC001699545581 1405380368 /nfs/dbraw/zinc/38/03/68/1405380368.db2.gz WCAMWBREDLUIHQ-ZDUSSCGKSA-N 2 2 333.436 2.183 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@](C)(C[NH2+]CC=C(C)C)C1 ZINC001699840251 1405519704 /nfs/dbraw/zinc/51/97/04/1405519704.db2.gz GLHIYSFGNYWJJT-LJQANCHMSA-N 2 2 331.460 2.427 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001699989053 1405640322 /nfs/dbraw/zinc/64/03/22/1405640322.db2.gz CEDGTOOBHYPLIZ-LXEGMVBOSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001699989053 1405640334 /nfs/dbraw/zinc/64/03/34/1405640334.db2.gz CEDGTOOBHYPLIZ-LXEGMVBOSA-N 2 2 342.487 2.192 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817977915 785126266 /nfs/dbraw/zinc/12/62/66/785126266.db2.gz RILGQUJVPHNUMX-BBBLOLIVSA-N 2 2 336.404 2.078 10 0 EEAELP C[NH+](C)C1(C)CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000913399135 788839912 /nfs/dbraw/zinc/83/99/12/788839912.db2.gz UGWAPBIWPRSQEH-UHFFFAOYSA-N 2 2 326.444 2.488 10 0 EEAELP O=C1O[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CC1 ZINC000844322865 789024313 /nfs/dbraw/zinc/02/43/13/789024313.db2.gz JXWUEDMDTXRCHM-PBHICJAKSA-N 2 2 344.459 2.382 10 0 EEAELP O=C1O[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CN1C1CC1 ZINC000844322865 789024318 /nfs/dbraw/zinc/02/43/18/789024318.db2.gz JXWUEDMDTXRCHM-PBHICJAKSA-N 2 2 344.459 2.382 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C[C@H]1C[NH3+] ZINC000846226606 790094508 /nfs/dbraw/zinc/09/45/08/790094508.db2.gz QTOJPIHRKVCZLS-KZNAEPCWSA-N 2 2 345.487 2.013 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)C[C@H]1C[NH3+] ZINC000846226606 790094517 /nfs/dbraw/zinc/09/45/17/790094517.db2.gz QTOJPIHRKVCZLS-KZNAEPCWSA-N 2 2 345.487 2.013 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC[C@@H]3CC[C@@H]4C[C@@H]43)CC2)CC1 ZINC000915493701 796282397 /nfs/dbraw/zinc/28/23/97/796282397.db2.gz ZXMUEIWIINPWCW-FRQCXROJSA-N 2 2 348.535 2.280 10 0 EEAELP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001436802260 1088382237 /nfs/dbraw/zinc/38/22/37/1088382237.db2.gz YHLPDKAKWWPKJP-AEFFLSMTSA-N 2 2 332.492 2.366 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001436895185 1088546416 /nfs/dbraw/zinc/54/64/16/1088546416.db2.gz MFBLHCSUULQNNI-BPLDGKMQSA-N 2 2 340.418 2.405 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCCC(F)(F)C2)C1 ZINC001436895185 1088546423 /nfs/dbraw/zinc/54/64/23/1088546423.db2.gz MFBLHCSUULQNNI-BPLDGKMQSA-N 2 2 340.418 2.405 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)s1 ZINC001436962371 1088652517 /nfs/dbraw/zinc/65/25/17/1088652517.db2.gz CKGZILHZIXDRPX-TUKIKUTGSA-N 2 2 347.488 2.345 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@H+](CC1CCC1)C1CC1 ZINC001437786760 1090372967 /nfs/dbraw/zinc/37/29/67/1090372967.db2.gz VKFVJAGVGZGCSP-UHFFFAOYSA-N 2 2 330.476 2.143 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC[N@@H+](CC1CCC1)C1CC1 ZINC001437786760 1090372975 /nfs/dbraw/zinc/37/29/75/1090372975.db2.gz VKFVJAGVGZGCSP-UHFFFAOYSA-N 2 2 330.476 2.143 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C[C@@H]2CC[C@H](C)O2)C2CC2)c[nH+]1 ZINC001437795626 1090381958 /nfs/dbraw/zinc/38/19/58/1090381958.db2.gz SRYKPDUEJIUYBR-RDJZCZTQSA-N 2 2 348.491 2.075 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C[C@@H]2CC[C@H](C)O2)C2CC2)c[nH+]1 ZINC001437795626 1090381964 /nfs/dbraw/zinc/38/19/64/1090381964.db2.gz SRYKPDUEJIUYBR-RDJZCZTQSA-N 2 2 348.491 2.075 10 0 EEAELP C[C@H](CC(=O)NCC[C@@H]1CC[N@H+](CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001437934459 1090527619 /nfs/dbraw/zinc/52/76/19/1090527619.db2.gz GDLWAYCAWJREGE-IAGOWNOFSA-N 2 2 348.491 2.089 10 0 EEAELP C[C@H](CC(=O)NCC[C@@H]1CC[N@@H+](CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001437934459 1090527623 /nfs/dbraw/zinc/52/76/23/1090527623.db2.gz GDLWAYCAWJREGE-IAGOWNOFSA-N 2 2 348.491 2.089 10 0 EEAELP CCc1ccc(C[NH+]2CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001438054280 1090621900 /nfs/dbraw/zinc/62/19/00/1090621900.db2.gz QIQXPHKZHOQLHA-IBGZPJMESA-N 2 2 329.488 2.424 10 0 EEAELP CCc1ccc(C[NH+]2CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC001438054280 1090621904 /nfs/dbraw/zinc/62/19/04/1090621904.db2.gz QIQXPHKZHOQLHA-IBGZPJMESA-N 2 2 329.488 2.424 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(OC)cc1 ZINC001438312473 1090791393 /nfs/dbraw/zinc/79/13/93/1090791393.db2.gz VDLUVOOIBFXVKU-USXIJHARSA-N 2 2 342.443 2.206 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(OC)cc1 ZINC001438312473 1090791397 /nfs/dbraw/zinc/79/13/97/1090791397.db2.gz VDLUVOOIBFXVKU-USXIJHARSA-N 2 2 342.443 2.206 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C[NH2+]CC1CCCC1 ZINC001438488410 1090988654 /nfs/dbraw/zinc/98/86/54/1090988654.db2.gz BKWLMSQJHSYOFC-RDTXWAMCSA-N 2 2 347.507 2.322 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C[NH2+]CC1CCCC1 ZINC001438488410 1090988660 /nfs/dbraw/zinc/98/86/60/1090988660.db2.gz BKWLMSQJHSYOFC-RDTXWAMCSA-N 2 2 347.507 2.322 10 0 EEAELP C[C@@H](C[NH2+]Cc1cscn1)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001438710332 1091226775 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ZINC001439623556 1092535788 /nfs/dbraw/zinc/53/57/88/1092535788.db2.gz GQMAVZSSBBRBEH-UHFFFAOYSA-N 2 2 332.473 2.427 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001439756288 1092715613 /nfs/dbraw/zinc/71/56/13/1092715613.db2.gz DLWXPIZUYCLALG-UHFFFAOYSA-N 2 2 339.524 2.209 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](CCOC2CCCCCC2)C1 ZINC001439756288 1092715617 /nfs/dbraw/zinc/71/56/17/1092715617.db2.gz DLWXPIZUYCLALG-UHFFFAOYSA-N 2 2 339.524 2.209 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)n1cc[nH+]c1 ZINC001440304184 1093430905 /nfs/dbraw/zinc/43/09/05/1093430905.db2.gz MBPBXEQOCBPISX-NCOADZHNSA-N 2 2 348.491 2.134 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001448536839 1093574034 /nfs/dbraw/zinc/57/40/34/1093574034.db2.gz NPRXIMAOLKLGTR-OAHLLOKOSA-N 2 2 337.439 2.304 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001448536839 1093574036 /nfs/dbraw/zinc/57/40/36/1093574036.db2.gz 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CCC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ncc(CC)o2)[C@@H]1C ZINC001440491025 1093727796 /nfs/dbraw/zinc/72/77/96/1093727796.db2.gz UKHQDEIXQBHRCS-ZBFHGGJFSA-N 2 2 336.480 2.048 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ncc(CC)o2)[C@@H]1C ZINC001440491025 1093727809 /nfs/dbraw/zinc/72/78/09/1093727809.db2.gz UKHQDEIXQBHRCS-ZBFHGGJFSA-N 2 2 336.480 2.048 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@]3(NC(=O)C[N@@H+](C)C4CCC4)CCC[C@@H]23)co1 ZINC001449028690 1094037556 /nfs/dbraw/zinc/03/75/56/1094037556.db2.gz IHYCSMWVXAHNEO-MJGOQNOKSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@]3(NC(=O)C[N@H+](C)C4CCC4)CCC[C@@H]23)co1 ZINC001449028690 1094037560 /nfs/dbraw/zinc/03/75/60/1094037560.db2.gz IHYCSMWVXAHNEO-MJGOQNOKSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@]3(NC(=O)C[NH+](C)C4CCC4)CCC[C@@H]23)co1 ZINC001449028690 1094037569 /nfs/dbraw/zinc/03/75/69/1094037569.db2.gz IHYCSMWVXAHNEO-MJGOQNOKSA-N 2 2 346.475 2.081 10 0 EEAELP 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ZINC001440841570 1094097864 /nfs/dbraw/zinc/09/78/64/1094097864.db2.gz VMDNYZPOVJJCPP-ZIAGYGMSSA-N 2 2 326.444 2.124 10 0 EEAELP C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001449224638 1094177710 /nfs/dbraw/zinc/17/77/10/1094177710.db2.gz FXYYNXPEWNKXPO-HOTGVXAUSA-N 2 2 338.496 2.022 10 0 EEAELP C[C@@H](CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCC(C)(C)C)n1cc[nH+]c1 ZINC001449224638 1094177715 /nfs/dbraw/zinc/17/77/15/1094177715.db2.gz FXYYNXPEWNKXPO-HOTGVXAUSA-N 2 2 338.496 2.022 10 0 EEAELP CC(C)N(CC[N@H+](C)CCC(F)(F)F)C(=O)CCn1cc[nH+]c1 ZINC001449269583 1094217752 /nfs/dbraw/zinc/21/77/52/1094217752.db2.gz NPEOLNUTOJVGSE-UHFFFAOYSA-N 2 2 334.386 2.394 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCC(F)(F)F)C(=O)CCn1cc[nH+]c1 ZINC001449269583 1094217753 /nfs/dbraw/zinc/21/77/53/1094217753.db2.gz NPEOLNUTOJVGSE-UHFFFAOYSA-N 2 2 334.386 2.394 10 0 EEAELP C[C@H](F)CC[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001449410553 1094394301 /nfs/dbraw/zinc/39/43/01/1094394301.db2.gz OVWJFGGUNBPGKZ-AWEZNQCLSA-N 2 2 336.455 2.072 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccccc1 ZINC001441565128 1095323550 /nfs/dbraw/zinc/32/35/50/1095323550.db2.gz VIMQEWTWWZXBND-WBVHZDCISA-N 2 2 326.444 2.082 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC001442426640 1096751921 /nfs/dbraw/zinc/75/19/21/1096751921.db2.gz AWPPPGATNRGLRZ-ZACQAIPSSA-N 2 2 332.492 2.411 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC001442426640 1096751925 /nfs/dbraw/zinc/75/19/25/1096751925.db2.gz AWPPPGATNRGLRZ-ZACQAIPSSA-N 2 2 332.492 2.411 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC[C@H]1CCCO1 ZINC001479579743 1098618649 /nfs/dbraw/zinc/61/86/49/1098618649.db2.gz XERQGZPMNDTBJC-HYVNUMGLSA-N 2 2 348.491 2.046 10 0 EEAELP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001444188374 1098739584 /nfs/dbraw/zinc/73/95/84/1098739584.db2.gz UBFXVPSWCXATSW-QKPAOTATSA-N 2 2 336.455 2.211 10 0 EEAELP C[C@@H](C[NH2+]C[C@@H]1CCc2ccccc2C1)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001444693618 1099547909 /nfs/dbraw/zinc/54/79/09/1099547909.db2.gz NYYSRADFZMCLKY-JKSUJKDBSA-N 2 2 340.471 2.194 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001480490867 1100302216 /nfs/dbraw/zinc/30/22/16/1100302216.db2.gz UEDHKTZEEHGVCP-ZBFHGGJFSA-N 2 2 344.434 2.188 10 0 EEAELP CC[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH2+]Cc1cc(C)no1 ZINC001495133976 1100801307 /nfs/dbraw/zinc/80/13/07/1100801307.db2.gz DFXSAXCIELFLBO-AEFFLSMTSA-N 2 2 344.459 2.270 10 0 EEAELP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CCCC1 ZINC001495168720 1100842276 /nfs/dbraw/zinc/84/22/76/1100842276.db2.gz OPDTVPLNGRMNTQ-LSDHHAIUSA-N 2 2 336.455 2.212 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CCOc2ccccc2)CCCC1 ZINC001495195150 1100873505 /nfs/dbraw/zinc/87/35/05/1100873505.db2.gz PBJSTSMYJXCWLZ-UHFFFAOYSA-N 2 2 342.443 2.050 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CC[C@H]2CCCCO2)CCCC1 ZINC001495205128 1100885720 /nfs/dbraw/zinc/88/57/20/1100885720.db2.gz UZDNNNNLCCNMSO-MRXNPFEDSA-N 2 2 348.491 2.238 10 0 EEAELP CC(C)C[C@@H](C[NH2+]Cc1ccncc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001496302166 1100889875 /nfs/dbraw/zinc/88/98/75/1100889875.db2.gz YITFPMVMMFBMQJ-HNNXBMFYSA-N 2 2 349.866 2.252 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1CC[NH2+]CCC1CCOCC1 ZINC001496414456 1101006480 /nfs/dbraw/zinc/00/64/80/1101006480.db2.gz NPFRLUYDNIUNAG-QGZVFWFLSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1C[NH2+]C/C=C/Cl ZINC001496477625 1101068898 /nfs/dbraw/zinc/06/88/98/1101068898.db2.gz HUTOLWDIZOBWGU-GMLRFVCHSA-N 2 2 338.883 2.322 10 0 EEAELP C[C@H](CC(=O)N1CC[C@@](C)(C[NH2+]Cc2ccns2)C1)n1cc[nH+]c1 ZINC001446592787 1101083170 /nfs/dbraw/zinc/08/31/70/1101083170.db2.gz HKXGRIAPEDUBLX-PBHICJAKSA-N 2 2 347.488 2.319 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001496892879 1101678659 /nfs/dbraw/zinc/67/86/59/1101678659.db2.gz QVIDUPLWOKADPB-RDJZCZTQSA-N 2 2 331.460 2.307 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1csc(Cl)n1 ZINC001497316666 1102308613 /nfs/dbraw/zinc/30/86/13/1102308613.db2.gz ICMJSLNYXXENLM-VIFPVBQESA-N 2 2 341.868 2.055 10 0 EEAELP CCN(CC[NH2+]CCC[C@H]1CCOC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497406447 1102441033 /nfs/dbraw/zinc/44/10/33/1102441033.db2.gz ASIWHRFLTFNGHY-HNNXBMFYSA-N 2 2 344.459 2.431 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497599518 1102729189 /nfs/dbraw/zinc/72/91/89/1102729189.db2.gz BRBJIOJVXPUQBE-MLMMWPPISA-N 2 2 342.418 2.423 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497599518 1102729194 /nfs/dbraw/zinc/72/91/94/1102729194.db2.gz BRBJIOJVXPUQBE-MLMMWPPISA-N 2 2 342.418 2.423 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]2CCCCCC2)no1 ZINC001497690276 1102910454 /nfs/dbraw/zinc/91/04/54/1102910454.db2.gz FUUKVQZCJNOQEO-JFDDCEBESA-N 2 2 334.464 2.010 10 0 EEAELP CC(C)c1ccc([C@@H](CNC(=O)Cn2cc[nH+]c2)[NH2+]CCF)cc1 ZINC001493879381 1103025052 /nfs/dbraw/zinc/02/50/52/1103025052.db2.gz XUBBWGHVRBTHRC-QGZVFWFLSA-N 2 2 332.423 2.423 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)c(C)n1 ZINC001447860495 1103464098 /nfs/dbraw/zinc/46/40/98/1103464098.db2.gz SKADXRZDMAZVSW-UONOGXRCSA-N 2 2 329.448 2.037 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)c(C)n1 ZINC001447860495 1103464103 /nfs/dbraw/zinc/46/41/03/1103464103.db2.gz SKADXRZDMAZVSW-UONOGXRCSA-N 2 2 329.448 2.037 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494273719 1103790096 /nfs/dbraw/zinc/79/00/96/1103790096.db2.gz WJUYQVASJYLQFH-MULDZMIYSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001494273719 1103790109 /nfs/dbraw/zinc/79/01/09/1103790109.db2.gz WJUYQVASJYLQFH-MULDZMIYSA-N 2 2 330.476 2.382 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001480672674 1106856255 /nfs/dbraw/zinc/85/62/55/1106856255.db2.gz XQODZFYFVJGWEN-CQSZACIVSA-N 2 2 346.862 2.286 10 0 EEAELP Cc1nc(CC[NH2+]C[C@H](C)NC(=O)c2cccc3[nH+]ccn32)cs1 ZINC001498071214 1106883254 /nfs/dbraw/zinc/88/32/54/1106883254.db2.gz QLGDWSFDRAHFKP-LBPRGKRZSA-N 2 2 343.456 2.050 10 0 EEAELP CO[C@@H](C[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001480740205 1107026145 /nfs/dbraw/zinc/02/61/45/1107026145.db2.gz XOKTYBKYPXJNDI-IRXDYDNUSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@@H](C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCCC1 ZINC001480740205 1107026161 /nfs/dbraw/zinc/02/61/61/1107026161.db2.gz XOKTYBKYPXJNDI-IRXDYDNUSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC001498289586 1107224695 /nfs/dbraw/zinc/22/46/95/1107224695.db2.gz TYBLODTTXUKJTB-YWPYICTPSA-N 2 2 338.521 2.037 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC001498289586 1107224705 /nfs/dbraw/zinc/22/47/05/1107224705.db2.gz TYBLODTTXUKJTB-YWPYICTPSA-N 2 2 338.521 2.037 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)s1 ZINC001498289586 1107224715 /nfs/dbraw/zinc/22/47/15/1107224715.db2.gz TYBLODTTXUKJTB-YWPYICTPSA-N 2 2 338.521 2.037 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001498289586 1107224726 /nfs/dbraw/zinc/22/47/26/1107224726.db2.gz TYBLODTTXUKJTB-YWPYICTPSA-N 2 2 338.521 2.037 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC001493157756 1107608040 /nfs/dbraw/zinc/60/80/40/1107608040.db2.gz ALUHOVSFIBMOAX-INIZCTEOSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC001493157756 1107608044 /nfs/dbraw/zinc/60/80/44/1107608044.db2.gz ALUHOVSFIBMOAX-INIZCTEOSA-N 2 2 337.414 2.141 10 0 EEAELP C[C@@H]1COC[C@H]1[NH2+]CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC001460818010 1110325101 /nfs/dbraw/zinc/32/51/01/1110325101.db2.gz OKHKEXXAFUBXFN-CRAIPNDOSA-N 2 2 337.895 2.477 10 0 EEAELP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001499269180 1112209860 /nfs/dbraw/zinc/20/98/60/1112209860.db2.gz PXHJWVLWGBDCMH-YIEVGGLXSA-N 2 2 330.476 2.430 10 0 EEAELP C[C@H](CC(=O)NCC1([NH2+]Cc2ccnc(Cl)c2)CC1)n1cc[nH+]c1 ZINC001499365218 1112253565 /nfs/dbraw/zinc/25/35/65/1112253565.db2.gz SXAQIJQMOFGJCY-CYBMUJFWSA-N 2 2 347.850 2.321 10 0 EEAELP CC[C@@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)c1ccc(F)cc1 ZINC001499420410 1112278039 /nfs/dbraw/zinc/27/80/39/1112278039.db2.gz DIXIJKVRQKGTOO-QGZVFWFLSA-N 2 2 344.434 2.491 10 0 EEAELP O=C(/C=C\c1ccco1)NCC[NH+]1CCC([NH2+]C/C=C\Cl)CC1 ZINC001501246823 1113261035 /nfs/dbraw/zinc/26/10/35/1113261035.db2.gz HGRRMJVVBMFHMH-IMSWARLTSA-N 2 2 337.851 2.216 10 0 EEAELP CC(C)(C)CCC[NH2+]CCN(CCO)C(=O)c1cccc2[nH+]ccn21 ZINC001501475218 1113362166 /nfs/dbraw/zinc/36/21/66/1113362166.db2.gz VKUBAFWIDWBGQJ-UHFFFAOYSA-N 2 2 346.475 2.185 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)o1 ZINC001501637257 1113409633 /nfs/dbraw/zinc/40/96/33/1113409633.db2.gz FSQNFULSSJYNLW-CQSZACIVSA-N 2 2 345.447 2.012 10 0 EEAELP COCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001505439301 1113973336 /nfs/dbraw/zinc/97/33/36/1113973336.db2.gz ZWBUNMXEFGYMAN-INIZCTEOSA-N 2 2 344.459 2.297 10 0 EEAELP COCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001505439301 1113973339 /nfs/dbraw/zinc/97/33/39/1113973339.db2.gz ZWBUNMXEFGYMAN-INIZCTEOSA-N 2 2 344.459 2.297 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001505633633 1114098630 /nfs/dbraw/zinc/09/86/30/1114098630.db2.gz RSPQGVGPIDQZHL-GHMZBOCLSA-N 2 2 341.415 2.464 10 0 EEAELP Cc1cccnc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001505653109 1114111133 /nfs/dbraw/zinc/11/11/33/1114111133.db2.gz QTEMPFAUIFBVKQ-LSDHHAIUSA-N 2 2 337.427 2.334 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1nsc2ccccc12 ZINC001505768680 1114180079 /nfs/dbraw/zinc/18/00/79/1114180079.db2.gz OYAHCIVGRPFZKC-QWHCGFSZSA-N 2 2 343.456 2.176 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001507027575 1115065155 /nfs/dbraw/zinc/06/51/55/1115065155.db2.gz QUMQXGFHNVXYDX-RHSMWYFYSA-N 2 2 345.447 2.157 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001567927285 1124185216 /nfs/dbraw/zinc/18/52/16/1124185216.db2.gz JAPDHVYLIWIXHA-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001567927285 1124185219 /nfs/dbraw/zinc/18/52/19/1124185219.db2.gz JAPDHVYLIWIXHA-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001567927285 1124185223 /nfs/dbraw/zinc/18/52/23/1124185223.db2.gz JAPDHVYLIWIXHA-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CCC[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001567927285 1124185225 /nfs/dbraw/zinc/18/52/25/1124185225.db2.gz JAPDHVYLIWIXHA-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCc2ccccc2F)CCCC1 ZINC001568007009 1124226891 /nfs/dbraw/zinc/22/68/91/1124226891.db2.gz PNCVFUMSNXYZQS-UHFFFAOYSA-N 2 2 344.434 2.353 10 0 EEAELP CC(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001568088871 1124292657 /nfs/dbraw/zinc/29/26/57/1124292657.db2.gz FFRIYSOFRLATQR-KRWDZBQOSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cccc3[nH+]ccn32)sn1 ZINC001568287774 1124406040 /nfs/dbraw/zinc/40/60/40/1124406040.db2.gz SBIAHHRQWSCWFR-CYBMUJFWSA-N 2 2 343.456 2.350 10 0 EEAELP C[C@@H](CC[NH2+]Cc1nc(C(C)(C)C)cs1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001568692546 1124706030 /nfs/dbraw/zinc/70/60/30/1124706030.db2.gz JUXJFDMTANFJNR-LBPRGKRZSA-N 2 2 349.504 2.391 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1cccc(F)c1)[C@H]1CCc2c[nH+]cn2C1 ZINC001568875187 1124901122 /nfs/dbraw/zinc/90/11/22/1124901122.db2.gz IBOOOMVJGZISQO-AIMAZDRCSA-N 2 2 342.418 2.047 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC/C=C/C[NH2+]Cc1cc(F)ccc1F ZINC001568958189 1124995019 /nfs/dbraw/zinc/99/50/19/1124995019.db2.gz LMJOFDFZSQQPNT-NSCUHMNNSA-N 2 2 348.397 2.093 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCc2ccccc21)NC(=O)Cc1c[nH+]cn1C ZINC001569090908 1125091780 /nfs/dbraw/zinc/09/17/80/1125091780.db2.gz ZZEMBEBESSFCPU-DOTOQJQBSA-N 2 2 340.471 2.177 10 0 EEAELP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001569216313 1125171870 /nfs/dbraw/zinc/17/18/70/1125171870.db2.gz JFMWZSKKOGVZMK-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081687109 539354830 /nfs/dbraw/zinc/35/48/30/539354830.db2.gz LEBCJOCHFPHJEH-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081687109 539354833 /nfs/dbraw/zinc/35/48/33/539354833.db2.gz LEBCJOCHFPHJEH-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081687109 539354837 /nfs/dbraw/zinc/35/48/37/539354837.db2.gz LEBCJOCHFPHJEH-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081687109 539354839 /nfs/dbraw/zinc/35/48/39/539354839.db2.gz LEBCJOCHFPHJEH-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000128872924 539402198 /nfs/dbraw/zinc/40/21/98/539402198.db2.gz VTDANUACJQZKBY-KRWDZBQOSA-N 2 2 325.447 2.478 10 0 EEAELP C[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101649635 219151888 /nfs/dbraw/zinc/15/18/88/219151888.db2.gz SDQJALUYKYHRAX-KFWWJZLASA-N 2 2 327.432 2.145 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)NC3CCCCC3)CC2)CCO1 ZINC000067400094 215141394 /nfs/dbraw/zinc/14/13/94/215141394.db2.gz ZTJXGLROFRECNA-MRXNPFEDSA-N 2 2 337.508 2.011 10 0 EEAELP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)NC3CCCCC3)CC2)CCO1 ZINC000067400094 215141395 /nfs/dbraw/zinc/14/13/95/215141395.db2.gz ZTJXGLROFRECNA-MRXNPFEDSA-N 2 2 337.508 2.011 10 0 EEAELP Fc1ccc(C2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CCOCC2)cc1 ZINC000422759170 282974920 /nfs/dbraw/zinc/97/49/20/282974920.db2.gz KJBGAASHTQQRLW-RTBURBONSA-N 2 2 348.462 2.231 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@H](C(F)(F)F)C2)CC1 ZINC000353585297 539893215 /nfs/dbraw/zinc/89/32/15/539893215.db2.gz QYMISKGOUGKEDN-STQMWFEESA-N 2 2 335.414 2.107 10 0 EEAELP COCCN(C)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000191426163 239104715 /nfs/dbraw/zinc/10/47/15/239104715.db2.gz JCPZNRDTAGWSEH-GOSISDBHSA-N 2 2 343.475 2.334 10 0 EEAELP COCCN(C)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cn1 ZINC000191426163 239104721 /nfs/dbraw/zinc/10/47/21/239104721.db2.gz JCPZNRDTAGWSEH-GOSISDBHSA-N 2 2 343.475 2.334 10 0 EEAELP Fc1ccc(CN2CCC([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422720841 240193598 /nfs/dbraw/zinc/19/35/98/240193598.db2.gz MXQKUVZDXPMLRO-UXHICEINSA-N 2 2 347.478 2.147 10 0 EEAELP FC(F)(F)COc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422812349 240242561 /nfs/dbraw/zinc/24/25/61/240242561.db2.gz XNHTWCDZWJTGBX-HZPDHXFCSA-N 2 2 344.377 2.484 10 0 EEAELP Fc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1Br ZINC000422955580 240305973 /nfs/dbraw/zinc/30/59/73/240305973.db2.gz JPWJMYWPCOWTGB-CABCVRRESA-N 2 2 343.240 2.445 10 0 EEAELP CCCC(=O)Nc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422882053 240274655 /nfs/dbraw/zinc/27/46/55/240274655.db2.gz OWIOHMCHMJICSV-HKUYNNGSSA-N 2 2 331.460 2.282 10 0 EEAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422963302 240311966 /nfs/dbraw/zinc/31/19/66/240311966.db2.gz FMRIJYXIMLEZGR-SMDDNHRTSA-N 2 2 326.366 2.487 10 0 EEAELP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1c[nH+]ccc1N ZINC000423035925 240337548 /nfs/dbraw/zinc/33/75/48/240337548.db2.gz SKGNGRBMJLCLSY-MAUKXSAKSA-N 3 2 340.471 2.302 10 0 EEAELP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1c[nH+]ccc1N ZINC000423035925 240337552 /nfs/dbraw/zinc/33/75/52/240337552.db2.gz SKGNGRBMJLCLSY-MAUKXSAKSA-N 3 2 340.471 2.302 10 0 EEAELP Fc1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000423140964 240380048 /nfs/dbraw/zinc/38/00/48/240380048.db2.gz ZYFJJCIBWKXAAL-CABCVRRESA-N 2 2 330.350 2.284 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCc2cnc(C)cn2)[C@H]2CCC[NH2+]2)cc1 ZINC000423162686 240388835 /nfs/dbraw/zinc/38/88/35/240388835.db2.gz LOHYZZCLGYMJLM-RTBURBONSA-N 2 2 326.444 2.419 10 0 EEAELP CS[C@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000445807624 242133287 /nfs/dbraw/zinc/13/32/87/242133287.db2.gz LCUFFANUVRXKNL-MSOLQXFVSA-N 2 2 330.501 2.409 10 0 EEAELP COCC[N@@H+]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C[C@@H]1C ZINC000245714950 243146887 /nfs/dbraw/zinc/14/68/87/243146887.db2.gz GRYXNUZXGCJDNC-INIZCTEOSA-N 2 2 328.460 2.333 10 0 EEAELP COCC[N@H+]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)C[C@@H]1C ZINC000245714950 243146891 /nfs/dbraw/zinc/14/68/91/243146891.db2.gz GRYXNUZXGCJDNC-INIZCTEOSA-N 2 2 328.460 2.333 10 0 EEAELP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CC1(C)C ZINC000486964726 245518776 /nfs/dbraw/zinc/51/87/76/245518776.db2.gz HJDUXEHVFFDKME-HOTGVXAUSA-N 2 2 330.476 2.145 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000111230809 220117149 /nfs/dbraw/zinc/11/71/49/220117149.db2.gz UUBLSTLNMDLGRT-LJQANCHMSA-N 2 2 329.488 2.223 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000111230809 220117152 /nfs/dbraw/zinc/11/71/52/220117152.db2.gz UUBLSTLNMDLGRT-LJQANCHMSA-N 2 2 329.488 2.223 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268804211 252257486 /nfs/dbraw/zinc/25/74/86/252257486.db2.gz BXSKGPNWEWULMD-GHTZIAJQSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268804211 252257488 /nfs/dbraw/zinc/25/74/88/252257488.db2.gz BXSKGPNWEWULMD-GHTZIAJQSA-N 3 2 345.531 2.333 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000153587198 224126276 /nfs/dbraw/zinc/12/62/76/224126276.db2.gz BZXOIUSVAGTHOI-SFHVURJKSA-N 2 2 328.460 2.213 10 0 EEAELP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(c2cc[nH+]c(C3CC3)n2)CC1 ZINC000112554531 220349082 /nfs/dbraw/zinc/34/90/82/220349082.db2.gz FFGWRVHJCNLPFM-HOTGVXAUSA-N 2 2 329.492 2.349 10 0 EEAELP C[NH2+]C(C)(C)CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000270520412 256143749 /nfs/dbraw/zinc/14/37/49/256143749.db2.gz RGCAAEATMLNNTC-UHFFFAOYSA-N 2 2 325.482 2.249 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154591783 224276654 /nfs/dbraw/zinc/27/66/54/224276654.db2.gz RBMODLHRFRDCNL-CJNGLKHVSA-N 2 2 325.478 2.193 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154591783 224276657 /nfs/dbraw/zinc/27/66/57/224276657.db2.gz RBMODLHRFRDCNL-CJNGLKHVSA-N 2 2 325.478 2.193 10 0 EEAELP COc1cc(C[NH2+][C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)cc2c1OCO2 ZINC000328635315 258025723 /nfs/dbraw/zinc/02/57/23/258025723.db2.gz NGXWUEXLIHVTGN-DZGCQCFKSA-N 2 2 345.399 2.167 10 0 EEAELP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC[NH+](C)CC4)CC3)C[C@H]2C1 ZINC000424266676 286114455 /nfs/dbraw/zinc/11/44/55/286114455.db2.gz JIKCACMNWTUEGX-SGWQFOAVSA-N 3 2 335.536 2.338 10 0 EEAELP COc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172750336 152116213 /nfs/dbraw/zinc/11/62/13/152116213.db2.gz BJTAXLURACFZSH-UHFFFAOYSA-N 2 2 345.487 2.375 10 0 EEAELP C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1=CC[N@H+](C)CC1 ZINC000360984623 152271372 /nfs/dbraw/zinc/27/13/72/152271372.db2.gz LXSGORHHXNFVIW-OAHLLOKOSA-N 2 2 343.475 2.000 10 0 EEAELP C[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1=CC[N@@H+](C)CC1 ZINC000360984623 152271374 /nfs/dbraw/zinc/27/13/74/152271374.db2.gz LXSGORHHXNFVIW-OAHLLOKOSA-N 2 2 343.475 2.000 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH+](C)C ZINC000121192639 292261884 /nfs/dbraw/zinc/26/18/84/292261884.db2.gz FOUQTVHXLIYYTR-YJBOKZPZSA-N 2 2 332.492 2.011 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH+](C)C ZINC000121192639 292261886 /nfs/dbraw/zinc/26/18/86/292261886.db2.gz FOUQTVHXLIYYTR-YJBOKZPZSA-N 2 2 332.492 2.011 10 0 EEAELP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2cccs2)CC1 ZINC000262546767 152289786 /nfs/dbraw/zinc/28/97/86/152289786.db2.gz RVOFLIUBUCKVBP-UAGQMJEPSA-N 2 2 333.501 2.313 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccsc1 ZINC000262922689 152338981 /nfs/dbraw/zinc/33/89/81/152338981.db2.gz HANFJJYUDSFWPO-CHWSQXEVSA-N 2 2 331.432 2.244 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262954679 152345042 /nfs/dbraw/zinc/34/50/42/152345042.db2.gz KAVUPBYALPIKMQ-XHDPSFHLSA-N 2 2 334.370 2.355 10 0 EEAELP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357731657 153312806 /nfs/dbraw/zinc/31/28/06/153312806.db2.gz QOCNYBDFVREKAZ-LBPRGKRZSA-N 2 2 349.401 2.365 10 0 EEAELP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357731657 153312810 /nfs/dbraw/zinc/31/28/10/153312810.db2.gz QOCNYBDFVREKAZ-LBPRGKRZSA-N 2 2 349.401 2.365 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000357738642 153316911 /nfs/dbraw/zinc/31/69/11/153316911.db2.gz GKWLMMLRSGNHKJ-WMZOPIPTSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000357738642 153316912 /nfs/dbraw/zinc/31/69/12/153316912.db2.gz GKWLMMLRSGNHKJ-WMZOPIPTSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000357738642 153316918 /nfs/dbraw/zinc/31/69/18/153316918.db2.gz GKWLMMLRSGNHKJ-WMZOPIPTSA-N 2 2 347.503 2.458 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000357738642 153316921 /nfs/dbraw/zinc/31/69/21/153316921.db2.gz GKWLMMLRSGNHKJ-WMZOPIPTSA-N 2 2 347.503 2.458 10 0 EEAELP CC1(C)CCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000077483502 159102113 /nfs/dbraw/zinc/10/21/13/159102113.db2.gz YIQSEZSDJNQILG-UHFFFAOYSA-N 2 2 345.487 2.009 10 0 EEAELP CC1(C)CCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000077483502 159102115 /nfs/dbraw/zinc/10/21/15/159102115.db2.gz YIQSEZSDJNQILG-UHFFFAOYSA-N 2 2 345.487 2.009 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NCc1cccnc1 ZINC000078802068 159124738 /nfs/dbraw/zinc/12/47/38/159124738.db2.gz NYPKLWTVXJOEQQ-LJQANCHMSA-N 2 2 344.503 2.286 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NCc1cccnc1 ZINC000078802068 159124739 /nfs/dbraw/zinc/12/47/39/159124739.db2.gz NYPKLWTVXJOEQQ-LJQANCHMSA-N 2 2 344.503 2.286 10 0 EEAELP COCCOc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000092079028 159213939 /nfs/dbraw/zinc/21/39/39/159213939.db2.gz BFFAJDHSMNRWMV-KRWDZBQOSA-N 2 2 348.487 2.397 10 0 EEAELP COCCOc1cccc(C[NH+]2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000092079028 159213941 /nfs/dbraw/zinc/21/39/41/159213941.db2.gz BFFAJDHSMNRWMV-KRWDZBQOSA-N 2 2 348.487 2.397 10 0 EEAELP COc1c(C)cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000093821055 159240351 /nfs/dbraw/zinc/24/03/51/159240351.db2.gz ZRGZRCUNSZTXME-GOSISDBHSA-N 2 2 345.487 2.050 10 0 EEAELP COc1c(C)cc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1C ZINC000093821055 159240352 /nfs/dbraw/zinc/24/03/52/159240352.db2.gz ZRGZRCUNSZTXME-GOSISDBHSA-N 2 2 345.487 2.050 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2nc(N(C)C)no2)cc1 ZINC000192785526 160173531 /nfs/dbraw/zinc/17/35/31/160173531.db2.gz UTMVCXHACZFLBD-GFCCVEGCSA-N 2 2 326.404 2.481 10 0 EEAELP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCn2cc[nH+]c21 ZINC000193820823 160187181 /nfs/dbraw/zinc/18/71/81/160187181.db2.gz VJDJXOWFIGOUEJ-ZWKOTPCHSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCn2cc[nH+]c21 ZINC000193820823 160187182 /nfs/dbraw/zinc/18/71/82/160187182.db2.gz VJDJXOWFIGOUEJ-ZWKOTPCHSA-N 2 2 338.455 2.399 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247496401 160326512 /nfs/dbraw/zinc/32/65/12/160326512.db2.gz XFZPIXCMVYRIPS-RHSMWYFYSA-N 2 2 343.475 2.373 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000247496401 160326514 /nfs/dbraw/zinc/32/65/14/160326514.db2.gz XFZPIXCMVYRIPS-RHSMWYFYSA-N 2 2 343.475 2.373 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000343774418 161167007 /nfs/dbraw/zinc/16/70/07/161167007.db2.gz XJRNVWWYRCHRRM-NQBHXWOUSA-N 2 2 333.259 2.273 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000343774418 161167008 /nfs/dbraw/zinc/16/70/08/161167008.db2.gz XJRNVWWYRCHRRM-NQBHXWOUSA-N 2 2 333.259 2.273 10 0 EEAELP COC(=O)[C@@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346313888 161362208 /nfs/dbraw/zinc/36/22/08/161362208.db2.gz HIJHQKBXEYYFJS-HIFRSBDPSA-N 2 2 335.429 2.086 10 0 EEAELP COC(=O)[C@@H]1C[C@H](OC)CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346313888 161362209 /nfs/dbraw/zinc/36/22/09/161362209.db2.gz HIJHQKBXEYYFJS-HIFRSBDPSA-N 2 2 335.429 2.086 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352398502 162121574 /nfs/dbraw/zinc/12/15/74/162121574.db2.gz OYIFMCQNACFYBR-IXDOHACOSA-N 2 2 345.491 2.155 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc[nH+]c(N3CCOCC3)n2)C1 ZINC000352398502 162121575 /nfs/dbraw/zinc/12/15/75/162121575.db2.gz OYIFMCQNACFYBR-IXDOHACOSA-N 2 2 345.491 2.155 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc2C1 ZINC000352400822 162123102 /nfs/dbraw/zinc/12/31/02/162123102.db2.gz UOSYOLOJHRKRIH-UHFFFAOYSA-N 2 2 333.395 2.360 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)c2ccccc2C1 ZINC000352400822 162123103 /nfs/dbraw/zinc/12/31/03/162123103.db2.gz UOSYOLOJHRKRIH-UHFFFAOYSA-N 2 2 333.395 2.360 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000358962072 164024281 /nfs/dbraw/zinc/02/42/81/164024281.db2.gz XPIFJSJOPODEOB-WMZOPIPTSA-N 2 2 330.476 2.161 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000358962072 164024283 /nfs/dbraw/zinc/02/42/83/164024283.db2.gz XPIFJSJOPODEOB-WMZOPIPTSA-N 2 2 330.476 2.161 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263231627 287274345 /nfs/dbraw/zinc/27/43/45/287274345.db2.gz NNOHOYLMPNORGK-KFWWJZLASA-N 2 2 329.435 2.097 10 0 EEAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)C[NH2+]2)C1 ZINC000263231627 287274347 /nfs/dbraw/zinc/27/43/47/287274347.db2.gz NNOHOYLMPNORGK-KFWWJZLASA-N 2 2 329.435 2.097 10 0 EEAELP C[N@H+](Cc1ccccc1)C1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000288177893 275032156 /nfs/dbraw/zinc/03/21/56/275032156.db2.gz BJIPBPQNLPKRSY-UHFFFAOYSA-N 2 2 347.422 2.224 10 0 EEAELP C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000288177893 275032157 /nfs/dbraw/zinc/03/21/57/275032157.db2.gz BJIPBPQNLPKRSY-UHFFFAOYSA-N 2 2 347.422 2.224 10 0 EEAELP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(-c2ccccc2)[nH]1 ZINC000289381305 275112494 /nfs/dbraw/zinc/11/24/94/275112494.db2.gz CLQGUWFGWXEYLG-UHFFFAOYSA-N 2 2 327.476 2.146 10 0 EEAELP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(-c2ccccc2)[nH]1 ZINC000289381305 275112495 /nfs/dbraw/zinc/11/24/95/275112495.db2.gz CLQGUWFGWXEYLG-UHFFFAOYSA-N 2 2 327.476 2.146 10 0 EEAELP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000289381305 275112496 /nfs/dbraw/zinc/11/24/96/275112496.db2.gz CLQGUWFGWXEYLG-UHFFFAOYSA-N 2 2 327.476 2.146 10 0 EEAELP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000289381305 275112497 /nfs/dbraw/zinc/11/24/97/275112497.db2.gz CLQGUWFGWXEYLG-UHFFFAOYSA-N 2 2 327.476 2.146 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000289527285 275124467 /nfs/dbraw/zinc/12/44/67/275124467.db2.gz RYQCBNNYLOLSJY-QGZVFWFLSA-N 2 2 331.395 2.418 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000289527285 275124468 /nfs/dbraw/zinc/12/44/68/275124468.db2.gz RYQCBNNYLOLSJY-QGZVFWFLSA-N 2 2 331.395 2.418 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292060650 275369793 /nfs/dbraw/zinc/36/97/93/275369793.db2.gz CLVBIIBVHKIUQQ-WRWLIDTKSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292060650 275369794 /nfs/dbraw/zinc/36/97/94/275369794.db2.gz CLVBIIBVHKIUQQ-WRWLIDTKSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292060650 275369796 /nfs/dbraw/zinc/36/97/96/275369796.db2.gz CLVBIIBVHKIUQQ-WRWLIDTKSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292060650 275369798 /nfs/dbraw/zinc/36/97/98/275369798.db2.gz CLVBIIBVHKIUQQ-WRWLIDTKSA-N 2 2 343.471 2.043 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)N(Cc3ccccc3)C3CC3)C2)C1 ZINC000292159451 275386096 /nfs/dbraw/zinc/38/60/96/275386096.db2.gz OJFYWOIOYNQFFJ-FQEVSTJZSA-N 2 2 327.472 2.205 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)N(Cc3ccccc3)C3CC3)C2)C1 ZINC000292159451 275386098 /nfs/dbraw/zinc/38/60/98/275386098.db2.gz OJFYWOIOYNQFFJ-FQEVSTJZSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)N(Cc3ccccc3)C3CC3)C2)C1 ZINC000292159451 275386100 /nfs/dbraw/zinc/38/61/00/275386100.db2.gz OJFYWOIOYNQFFJ-FQEVSTJZSA-N 2 2 327.472 2.205 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)N(Cc3ccccc3)C3CC3)C2)C1 ZINC000292159451 275386103 /nfs/dbraw/zinc/38/61/03/275386103.db2.gz OJFYWOIOYNQFFJ-FQEVSTJZSA-N 2 2 327.472 2.205 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[C@@H](C)OC ZINC000361570230 276081105 /nfs/dbraw/zinc/08/11/05/276081105.db2.gz VPEDDQSTICDYEP-MSOLQXFVSA-N 2 2 347.503 2.249 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[C@@H](C)OC ZINC000361570230 276081106 /nfs/dbraw/zinc/08/11/06/276081106.db2.gz VPEDDQSTICDYEP-MSOLQXFVSA-N 2 2 347.503 2.249 10 0 EEAELP CN1CCC[C@H]1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092374691 277081478 /nfs/dbraw/zinc/08/14/78/277081478.db2.gz RUVUIXCTZNVXQA-HNNXBMFYSA-N 2 2 336.911 2.276 10 0 EEAELP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358756072 277102912 /nfs/dbraw/zinc/10/29/12/277102912.db2.gz OWJSNJJPOMSUNC-IEBWSBKVSA-N 2 2 339.487 2.085 10 0 EEAELP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000358756072 277102915 /nfs/dbraw/zinc/10/29/15/277102915.db2.gz OWJSNJJPOMSUNC-IEBWSBKVSA-N 2 2 339.487 2.085 10 0 EEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247361209 279124952 /nfs/dbraw/zinc/12/49/52/279124952.db2.gz HIXZAAGRFRQVDB-ZACQAIPSSA-N 2 2 335.496 2.452 10 0 EEAELP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)[nH+]1 ZINC000262003036 281225323 /nfs/dbraw/zinc/22/53/23/281225323.db2.gz UTULDCORVRGFMC-IPMKNSEASA-N 3 2 344.503 2.106 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1c(F)cccc1F ZINC000273175306 289276456 /nfs/dbraw/zinc/27/64/56/289276456.db2.gz FTTIEEZMEBYMEG-INIZCTEOSA-N 2 2 339.430 2.416 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000347933179 289877832 /nfs/dbraw/zinc/87/78/32/289877832.db2.gz XDSYVTOGNSJLOJ-MRXNPFEDSA-N 2 2 336.524 2.425 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000297612189 294295991 /nfs/dbraw/zinc/29/59/91/294295991.db2.gz AFYBUHGCRCCHSQ-OAHLLOKOSA-N 2 2 333.411 2.144 10 0 EEAELP Cc1ccc([C@H](CNc2cc[nH+]cc2C(N)=O)[NH+]2CCOCC2)s1 ZINC000302007089 294919465 /nfs/dbraw/zinc/91/94/65/294919465.db2.gz ARBZCDSIKOMTHN-HNNXBMFYSA-N 2 2 346.456 2.036 10 0 EEAELP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccn1 ZINC000158941588 311334469 /nfs/dbraw/zinc/33/44/69/311334469.db2.gz YNUWDWZRKOFVLT-FUHWJXTLSA-N 2 2 332.492 2.455 10 0 EEAELP Cc1cc(NCC[N@@H+]2CCOC(C)(C)C2)nc(-c2ccncc2)[nH+]1 ZINC000170640401 311393077 /nfs/dbraw/zinc/39/30/77/311393077.db2.gz ZEFZIAXGTNZGEP-UHFFFAOYSA-N 2 2 327.432 2.370 10 0 EEAELP Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)nc(-c2ccncc2)[nH+]1 ZINC000170640401 311393079 /nfs/dbraw/zinc/39/30/79/311393079.db2.gz ZEFZIAXGTNZGEP-UHFFFAOYSA-N 2 2 327.432 2.370 10 0 EEAELP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000332806913 312058017 /nfs/dbraw/zinc/05/80/17/312058017.db2.gz CTWZGQZYBGQXTQ-GJZGRUSLSA-N 2 2 347.507 2.231 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000333295318 312126018 /nfs/dbraw/zinc/12/60/18/312126018.db2.gz RZKAWECGELMOBK-GJYPPUQNSA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[N@H+]3CCC[C@@H]3C2)nc[nH+]1 ZINC000333295318 312126021 /nfs/dbraw/zinc/12/60/21/312126021.db2.gz RZKAWECGELMOBK-GJYPPUQNSA-N 2 2 345.491 2.377 10 0 EEAELP [NH3+]CC[C@@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(F)F ZINC000414732146 313071815 /nfs/dbraw/zinc/07/18/15/313071815.db2.gz GDMBVNOCWHFWPZ-LLVKDONJSA-N 2 2 347.435 2.233 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000416977865 313380006 /nfs/dbraw/zinc/38/00/06/313380006.db2.gz BZXLHCJROINMJY-SJPCQFCGSA-N 2 2 345.491 2.352 10 0 EEAELP COCC[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440346529 315124842 /nfs/dbraw/zinc/12/48/42/315124842.db2.gz UNNZSGYQJHPKRS-UHFFFAOYSA-N 2 2 332.473 2.406 10 0 EEAELP O=C(c1ccccc1)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000517241285 316654480 /nfs/dbraw/zinc/65/44/80/316654480.db2.gz RVYUAIQECUHXAN-UHFFFAOYSA-N 2 2 335.451 2.290 10 0 EEAELP O=C(NCC[N@H+]1CC=CCC1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000526967884 317134032 /nfs/dbraw/zinc/13/40/32/317134032.db2.gz SHGANWIDLDOJQF-UHFFFAOYSA-N 2 2 333.823 2.049 10 0 EEAELP O=C(NCC[N@@H+]1CC=CCC1)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000526967884 317134036 /nfs/dbraw/zinc/13/40/36/317134036.db2.gz SHGANWIDLDOJQF-UHFFFAOYSA-N 2 2 333.823 2.049 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000527728688 317253524 /nfs/dbraw/zinc/25/35/24/317253524.db2.gz UULGWXBTETXNSL-IXDOHACOSA-N 2 2 348.535 2.280 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000527777403 317261350 /nfs/dbraw/zinc/26/13/50/317261350.db2.gz NHSUYELZLBFPTC-MRXNPFEDSA-N 2 2 333.480 2.355 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)Cn2c[nH+]c3c2CCCC3)c[nH+]1 ZINC000539783450 318061676 /nfs/dbraw/zinc/06/16/76/318061676.db2.gz PLEFRSNAZGRJMC-UHFFFAOYSA-N 2 2 341.459 2.320 10 0 EEAELP C[C@@H]1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000543692772 318165896 /nfs/dbraw/zinc/16/58/96/318165896.db2.gz YLVXWPLELNDUEP-PBHICJAKSA-N 2 2 327.432 2.068 10 0 EEAELP O=C1NCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565479791 319186737 /nfs/dbraw/zinc/18/67/37/319186737.db2.gz LHXPHPIGIZGNMG-MSOLQXFVSA-N 2 2 327.472 2.442 10 0 EEAELP O=C1NCCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000565479791 319186739 /nfs/dbraw/zinc/18/67/39/319186739.db2.gz LHXPHPIGIZGNMG-MSOLQXFVSA-N 2 2 327.472 2.442 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)c2[nH+]ccn21 ZINC000567097066 319347901 /nfs/dbraw/zinc/34/79/01/319347901.db2.gz PYJLGKTWSKUVQK-ZBFHGGJFSA-N 2 2 327.432 2.102 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c2[nH+]ccn21 ZINC000578321136 320307721 /nfs/dbraw/zinc/30/77/21/320307721.db2.gz WFQAPTKHHHTKCM-KCXAZCMYSA-N 2 2 325.416 2.157 10 0 EEAELP C[C@@H](c1cccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000581319369 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2.350 10 0 EEAELP COc1cc(C)[nH+]c(CNc2[nH]c3cc(OC)c(OC)cc3[nH+]2)c1 ZINC000578951897 468282291 /nfs/dbraw/zinc/28/22/91/468282291.db2.gz JHJNNAYPTWGRJI-UHFFFAOYSA-N 2 2 328.372 2.326 10 0 EEAELP COC(=O)[C@H](CC(C)C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000351845562 465395382 /nfs/dbraw/zinc/39/53/82/465395382.db2.gz UFJOZZSBYXBTIP-KURKYZTESA-N 2 2 339.524 2.065 10 0 EEAELP CCc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000089289934 462663625 /nfs/dbraw/zinc/66/36/25/462663625.db2.gz UZHAFAOITKSHGC-SJPCQFCGSA-N 2 2 334.533 2.448 10 0 EEAELP CCc1nc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000089289934 462663628 /nfs/dbraw/zinc/66/36/28/462663628.db2.gz UZHAFAOITKSHGC-SJPCQFCGSA-N 2 2 334.533 2.448 10 0 EEAELP CCC[C@H]([NH3+])C(=O)NCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000067755179 463047649 /nfs/dbraw/zinc/04/76/49/463047649.db2.gz BPVSOGJBVIXNGZ-SFHVURJKSA-N 2 2 338.455 2.388 10 0 EEAELP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000052917589 463118033 /nfs/dbraw/zinc/11/80/33/463118033.db2.gz QQJFYYKRTCQEDM-UHFFFAOYSA-N 2 2 341.455 2.364 10 0 EEAELP Cc1ccc(C[N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000052917589 463118035 /nfs/dbraw/zinc/11/80/35/463118035.db2.gz QQJFYYKRTCQEDM-UHFFFAOYSA-N 2 2 341.455 2.364 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000069538542 463273079 /nfs/dbraw/zinc/27/30/79/463273079.db2.gz LMABOKFSYORPAK-CQSZACIVSA-N 2 2 331.420 2.034 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCCOC2CCCCC2)CC[N@@H+]1C ZINC000123771041 463367733 /nfs/dbraw/zinc/36/77/33/463367733.db2.gz UBLXFSVKYCSXRB-DLBZAZTESA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)NCCCOC2CCCCC2)CC[N@H+]1C ZINC000123771041 463367735 /nfs/dbraw/zinc/36/77/35/463367735.db2.gz UBLXFSVKYCSXRB-DLBZAZTESA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)NCCCOC2CCCCC2)CC[NH+]1C ZINC000123771041 463367739 /nfs/dbraw/zinc/36/77/39/463367739.db2.gz UBLXFSVKYCSXRB-DLBZAZTESA-N 2 2 339.524 2.257 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)NCCCOC2CCCCC2)CC[NH+]1C ZINC000123771041 463367740 /nfs/dbraw/zinc/36/77/40/463367740.db2.gz UBLXFSVKYCSXRB-DLBZAZTESA-N 2 2 339.524 2.257 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnn(C(C)(C)C)c2)nc[nH+]1 ZINC000071877205 463452952 /nfs/dbraw/zinc/45/29/52/463452952.db2.gz FLRFCCQZOVNHFU-OAHLLOKOSA-N 2 2 343.479 2.228 10 0 EEAELP CCC[C@H](C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C)[NH+](C)C ZINC000162160626 463489245 /nfs/dbraw/zinc/48/92/45/463489245.db2.gz PGVNZSUFXQZTSM-HUUCEWRRSA-N 2 2 327.419 2.414 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H](C)[C@@H](C)n3cccn3)c2cc1C ZINC000072269781 463491306 /nfs/dbraw/zinc/49/13/06/463491306.db2.gz BTAPZOBZIUYYDF-GVDBMIGSSA-N 2 2 341.459 2.450 10 0 EEAELP Cn1cc[nH+]c1CN1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000105930961 463500973 /nfs/dbraw/zinc/50/09/73/463500973.db2.gz HIMSMBAQLVKARG-UHFFFAOYSA-N 2 2 332.423 2.146 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)C[C@H](C)C1CC[NH2+]CC1)C2 ZINC000168415492 463665639 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EEAELP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243404 464171353 /nfs/dbraw/zinc/17/13/53/464171353.db2.gz WXMZLMCKEGJKBV-HKUYNNGSSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243404 464171355 /nfs/dbraw/zinc/17/13/55/464171355.db2.gz WXMZLMCKEGJKBV-HKUYNNGSSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243404 464171359 /nfs/dbraw/zinc/17/13/59/464171359.db2.gz WXMZLMCKEGJKBV-HKUYNNGSSA-N 2 2 331.435 2.349 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000263770755 464183580 /nfs/dbraw/zinc/18/35/80/464183580.db2.gz SKPNXYKTMSJLRS-HNNXBMFYSA-N 2 2 327.432 2.040 10 0 EEAELP C[N@H+]1CCC[C@H]1CNC(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000263770755 464183585 /nfs/dbraw/zinc/18/35/85/464183585.db2.gz SKPNXYKTMSJLRS-HNNXBMFYSA-N 2 2 327.432 2.040 10 0 EEAELP Cc1cnn(C[C@@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000229515769 464198218 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348.512 2.349 10 0 EEAELP CS(=O)(=O)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000280991602 464290726 /nfs/dbraw/zinc/29/07/26/464290726.db2.gz MTQGYNVUHUNGQB-BCDXTJNWSA-N 2 2 348.512 2.349 10 0 EEAELP [NH3+]Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000238006540 464417740 /nfs/dbraw/zinc/41/77/40/464417740.db2.gz WIYOECJWIYQLQZ-UHFFFAOYSA-N 2 2 325.412 2.230 10 0 EEAELP [NH3+]C1(CC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000238012065 464419406 /nfs/dbraw/zinc/41/94/06/464419406.db2.gz WVBQADUJCKNZDB-ZDUSSCGKSA-N 2 2 337.414 2.317 10 0 EEAELP [NH3+]C1(CC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCC1 ZINC000238012065 464419412 /nfs/dbraw/zinc/41/94/12/464419412.db2.gz WVBQADUJCKNZDB-ZDUSSCGKSA-N 2 2 337.414 2.317 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189367592 464486918 /nfs/dbraw/zinc/48/69/18/464486918.db2.gz XKZVKPQAAGCPSL-SJLPKXTDSA-N 2 2 348.397 2.193 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000189367592 464486924 /nfs/dbraw/zinc/48/69/24/464486924.db2.gz XKZVKPQAAGCPSL-SJLPKXTDSA-N 2 2 348.397 2.193 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000272445453 464612707 /nfs/dbraw/zinc/61/27/07/464612707.db2.gz PXDILYYDJVHJMZ-QGZVFWFLSA-N 2 2 339.443 2.358 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nnc1-c1ccccc1 ZINC000246994518 464641070 /nfs/dbraw/zinc/64/10/70/464641070.db2.gz PJSCACYSDLVQEV-DLBZAZTESA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)nnc1-c1ccccc1 ZINC000246994518 464641075 /nfs/dbraw/zinc/64/10/75/464641075.db2.gz PJSCACYSDLVQEV-DLBZAZTESA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nnc1-c1ccccc1 ZINC000246994518 464641077 /nfs/dbraw/zinc/64/10/77/464641077.db2.gz PJSCACYSDLVQEV-DLBZAZTESA-N 2 2 325.460 2.398 10 0 EEAELP Cn1c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nnc1-c1ccccc1 ZINC000246994518 464641082 /nfs/dbraw/zinc/64/10/82/464641082.db2.gz PJSCACYSDLVQEV-DLBZAZTESA-N 2 2 325.460 2.398 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(COC)cc2)[C@@H](C)C1 ZINC000247054485 464646328 /nfs/dbraw/zinc/64/63/28/464646328.db2.gz OOIUTKRTZIXFHO-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(COC)cc2)[C@@H](C)C1 ZINC000247054485 464646336 /nfs/dbraw/zinc/64/63/36/464646336.db2.gz OOIUTKRTZIXFHO-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(COC)cc2)[C@@H](C)C1 ZINC000247054485 464646340 /nfs/dbraw/zinc/64/63/40/464646340.db2.gz OOIUTKRTZIXFHO-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(COC)cc2)[C@@H](C)C1 ZINC000247054485 464646346 /nfs/dbraw/zinc/64/63/46/464646346.db2.gz OOIUTKRTZIXFHO-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)NCc3ccco3)C1)CCCC2 ZINC000275216696 464768019 /nfs/dbraw/zinc/76/80/19/464768019.db2.gz 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O=C1NCCC[C@@H]1[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000362318623 465652976 /nfs/dbraw/zinc/65/29/76/465652976.db2.gz DPRCRLVDRJAHMF-QYZOEREBSA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000362318623 465652980 /nfs/dbraw/zinc/65/29/80/465652980.db2.gz DPRCRLVDRJAHMF-QYZOEREBSA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000362318623 465652984 /nfs/dbraw/zinc/65/29/84/465652984.db2.gz DPRCRLVDRJAHMF-QYZOEREBSA-N 2 2 327.472 2.252 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000362318623 465652989 /nfs/dbraw/zinc/65/29/89/465652989.db2.gz DPRCRLVDRJAHMF-QYZOEREBSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(CC[N@@H+]1CCc2ccccc2C1)NCCc1cn2ccccc2[nH+]1 ZINC000348939383 465883353 /nfs/dbraw/zinc/88/33/53/465883353.db2.gz GSPPWWGDXDDAIT-UHFFFAOYSA-N 2 2 348.450 2.441 10 0 EEAELP O=C(CC[N@H+]1CCc2ccccc2C1)NCCc1cn2ccccc2[nH+]1 ZINC000348939383 465883363 /nfs/dbraw/zinc/88/33/63/465883363.db2.gz GSPPWWGDXDDAIT-UHFFFAOYSA-N 2 2 348.450 2.441 10 0 EEAELP COC(=O)[C@H]1C[N@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000361296870 465891898 /nfs/dbraw/zinc/89/18/98/465891898.db2.gz PXMNRQSEEUZDBI-GOSISDBHSA-N 2 2 345.443 2.389 10 0 EEAELP COC(=O)[C@H]1C[N@@H+](CCCCCn2c(C)[nH+]c3ccccc32)CCO1 ZINC000361296870 465891905 /nfs/dbraw/zinc/89/19/05/465891905.db2.gz PXMNRQSEEUZDBI-GOSISDBHSA-N 2 2 345.443 2.389 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000361519639 466067510 /nfs/dbraw/zinc/06/75/10/466067510.db2.gz PADMLHDVPXINML-XMMPIXPASA-N 2 2 345.468 2.020 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000361529405 466077666 /nfs/dbraw/zinc/07/76/66/466077666.db2.gz DZAZOZINDLYOAI-HOTGVXAUSA-N 2 2 346.475 2.002 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361639983 466170929 /nfs/dbraw/zinc/17/09/29/466170929.db2.gz RHTYLQSBAIMSCS-OXQOHEQNSA-N 2 2 347.478 2.342 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361639983 466170932 /nfs/dbraw/zinc/17/09/32/466170932.db2.gz RHTYLQSBAIMSCS-OXQOHEQNSA-N 2 2 347.478 2.342 10 0 EEAELP C[C@@H]1CCC[C@](CNc2cc(N3CCOCC3)[nH+]cn2)([NH+](C)C)C1 ZINC000302881154 466204069 /nfs/dbraw/zinc/20/40/69/466204069.db2.gz HUYNVBMTIDCHEL-QAPCUYQASA-N 2 2 333.480 2.236 10 0 EEAELP C[NH+](C)CCOc1ccc(CCNc2cc[nH+]c(C3CC3)n2)cc1 ZINC000347027577 466331739 /nfs/dbraw/zinc/33/17/39/466331739.db2.gz QQFWRBXRYKQUKR-UHFFFAOYSA-N 2 2 326.444 2.949 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CCC(C[NH+](C)C)CC1)C2 ZINC000372446073 466388481 /nfs/dbraw/zinc/38/84/81/466388481.db2.gz MOKFNYHLRNCIQA-HNNXBMFYSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)CC2 ZINC000372446073 466388487 /nfs/dbraw/zinc/38/84/87/466388487.db2.gz MOKFNYHLRNCIQA-HNNXBMFYSA-N 2 2 332.492 2.438 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000358014722 466388912 /nfs/dbraw/zinc/38/89/12/466388912.db2.gz CWFWBWLBEHDYGN-JXFKEZNVSA-N 2 2 337.467 2.469 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000358014722 466388920 /nfs/dbraw/zinc/38/89/20/466388920.db2.gz CWFWBWLBEHDYGN-JXFKEZNVSA-N 2 2 337.467 2.469 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)[C@H]2CCC[C@@H]21 ZINC000367596974 466438989 /nfs/dbraw/zinc/43/89/89/466438989.db2.gz KVPRXXDGSMYJJN-IKGGRYGDSA-N 2 2 341.459 2.346 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)[C@H]2CCC[C@@H]21 ZINC000367596974 466438997 /nfs/dbraw/zinc/43/89/97/466438997.db2.gz KVPRXXDGSMYJJN-IKGGRYGDSA-N 2 2 341.459 2.346 10 0 EEAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332694052 466553199 /nfs/dbraw/zinc/55/31/99/466553199.db2.gz WCPZBWPBINALAI-IAGOWNOFSA-N 2 2 347.507 2.442 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000332694052 466553205 /nfs/dbraw/zinc/55/32/05/466553205.db2.gz WCPZBWPBINALAI-IAGOWNOFSA-N 2 2 347.507 2.442 10 0 EEAELP [NH3+]CCc1ccccc1C(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000321458983 466622775 /nfs/dbraw/zinc/62/27/75/466622775.db2.gz OBCHJKKDCBPTCY-UHFFFAOYSA-N 2 2 329.469 2.207 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324240516 466644687 /nfs/dbraw/zinc/64/46/87/466644687.db2.gz XUHGMWONNJAILY-MOPGFXCFSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324240516 466644690 /nfs/dbraw/zinc/64/46/90/466644690.db2.gz XUHGMWONNJAILY-MOPGFXCFSA-N 2 2 329.488 2.417 10 0 EEAELP O[C@H](C[NH+]1CCS[C@@H]2CCC[C@H]21)C[N@@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000408514949 466671580 /nfs/dbraw/zinc/67/15/80/466671580.db2.gz GTRNAQGREGZNEI-NQNKBUKLSA-N 2 2 342.574 2.287 10 0 EEAELP O[C@H](C[NH+]1CCS[C@@H]2CCC[C@H]21)C[N@H+]1CCS[C@@H]2CCC[C@@H]21 ZINC000408514949 466671583 /nfs/dbraw/zinc/67/15/83/466671583.db2.gz GTRNAQGREGZNEI-NQNKBUKLSA-N 2 2 342.574 2.287 10 0 EEAELP O[C@@H](C[NH+]1CCS[C@@H]2CCC[C@@H]21)C[N@@H+]1CCS[C@@H]2CCC[C@H]21 ZINC000408514949 466671585 /nfs/dbraw/zinc/67/15/85/466671585.db2.gz GTRNAQGREGZNEI-NQNKBUKLSA-N 2 2 342.574 2.287 10 0 EEAELP O[C@@H](C[NH+]1CCS[C@@H]2CCC[C@@H]21)C[N@H+]1CCS[C@@H]2CCC[C@H]21 ZINC000408514949 466671588 /nfs/dbraw/zinc/67/15/88/466671588.db2.gz GTRNAQGREGZNEI-NQNKBUKLSA-N 2 2 342.574 2.287 10 0 EEAELP CCCc1occc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000373040119 466673343 /nfs/dbraw/zinc/67/33/43/466673343.db2.gz AIMNIIBGJBTQHW-MRXNPFEDSA-N 2 2 333.476 2.473 10 0 EEAELP CCCc1occc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000373040119 466673347 /nfs/dbraw/zinc/67/33/47/466673347.db2.gz AIMNIIBGJBTQHW-MRXNPFEDSA-N 2 2 333.476 2.473 10 0 EEAELP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000657480012 471149684 /nfs/dbraw/zinc/14/96/84/471149684.db2.gz IGHOWVDLVVQDKY-CQSZACIVSA-N 2 2 342.281 2.089 10 0 EEAELP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000657480012 471149691 /nfs/dbraw/zinc/14/96/91/471149691.db2.gz IGHOWVDLVVQDKY-CQSZACIVSA-N 2 2 342.281 2.089 10 0 EEAELP COC[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000423430235 466747487 /nfs/dbraw/zinc/74/74/87/466747487.db2.gz PRBRHWVBELFYNP-DFQSSKMNSA-N 3 2 331.504 2.255 10 0 EEAELP COC[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000423430235 466747489 /nfs/dbraw/zinc/74/74/89/466747489.db2.gz PRBRHWVBELFYNP-DFQSSKMNSA-N 3 2 331.504 2.255 10 0 EEAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000365626640 466886893 /nfs/dbraw/zinc/88/68/93/466886893.db2.gz JFHJMYPYWVKZNE-KOHRHEQBSA-N 2 2 349.475 2.084 10 0 EEAELP CCOC(=O)C1CCC(O)(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000365626640 466886896 /nfs/dbraw/zinc/88/68/96/466886896.db2.gz JFHJMYPYWVKZNE-KOHRHEQBSA-N 2 2 349.475 2.084 10 0 EEAELP COc1ccc(CN2CC[C@H]([NH2+]Cc3c[nH+]cn3C(C)C)C2=O)cc1 ZINC000424137082 466986713 /nfs/dbraw/zinc/98/67/13/466986713.db2.gz BPPZXXNKKPHOCY-SFHVURJKSA-N 2 2 342.443 2.363 10 0 EEAELP CCC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417955313 467002162 /nfs/dbraw/zinc/00/21/62/467002162.db2.gz QYAZELLMCAPVQO-JKSUJKDBSA-N 2 2 340.418 2.009 10 0 EEAELP CCC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417955313 467002163 /nfs/dbraw/zinc/00/21/63/467002163.db2.gz QYAZELLMCAPVQO-JKSUJKDBSA-N 2 2 340.418 2.009 10 0 EEAELP Cn1ccc([C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)c2ccc(F)cc2)n1 ZINC000427883028 467184504 /nfs/dbraw/zinc/18/45/04/467184504.db2.gz PPMOQFRBFRAYEU-QAPCUYQASA-N 2 2 325.391 2.450 10 0 EEAELP C[NH+](C)C[C@@](C)(O)CNc1[nH+]ccc2cc(Br)ccc21 ZINC000413193439 467187305 /nfs/dbraw/zinc/18/73/05/467187305.db2.gz AEHYNXVFZXXKAA-HNNXBMFYSA-N 2 2 338.249 2.722 10 0 EEAELP CC(C)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCCCC1 ZINC000378089363 467195080 /nfs/dbraw/zinc/19/50/80/467195080.db2.gz FLAJAHSFZUEJQR-MAUKXSAKSA-N 2 2 347.507 2.467 10 0 EEAELP CC(C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCCCCC1 ZINC000378089363 467195083 /nfs/dbraw/zinc/19/50/83/467195083.db2.gz FLAJAHSFZUEJQR-MAUKXSAKSA-N 2 2 347.507 2.467 10 0 EEAELP CC[N@H+](CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C1CC1 ZINC000414084291 467374907 /nfs/dbraw/zinc/37/49/07/467374907.db2.gz WUOAHCUNKXWWIT-LBPRGKRZSA-N 2 2 342.281 2.073 10 0 EEAELP CC[N@@H+](CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C1CC1 ZINC000414084291 467374909 /nfs/dbraw/zinc/37/49/09/467374909.db2.gz WUOAHCUNKXWWIT-LBPRGKRZSA-N 2 2 342.281 2.073 10 0 EEAELP Cn1c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nnc1-c1ccccc1 ZINC000420397526 467395040 /nfs/dbraw/zinc/39/50/40/467395040.db2.gz MPQPIGBTKLCUMF-DLBZAZTESA-N 2 2 325.460 2.446 10 0 EEAELP Cn1c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nnc1-c1ccccc1 ZINC000420397526 467395043 /nfs/dbraw/zinc/39/50/43/467395043.db2.gz MPQPIGBTKLCUMF-DLBZAZTESA-N 2 2 325.460 2.446 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000389195199 467399259 /nfs/dbraw/zinc/39/92/59/467399259.db2.gz WXPHYTUNUKNZLV-SFHVURJKSA-N 2 2 331.460 2.471 10 0 EEAELP CC[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)C1 ZINC000389195199 467399267 /nfs/dbraw/zinc/39/92/67/467399267.db2.gz WXPHYTUNUKNZLV-SFHVURJKSA-N 2 2 331.460 2.471 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000435052748 467443454 /nfs/dbraw/zinc/44/34/54/467443454.db2.gz XPQFLKXAOYYDIO-IYBDPMFKSA-N 2 2 343.475 2.117 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000435052748 467443457 /nfs/dbraw/zinc/44/34/57/467443457.db2.gz XPQFLKXAOYYDIO-IYBDPMFKSA-N 2 2 343.475 2.117 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435052748 467443458 /nfs/dbraw/zinc/44/34/58/467443458.db2.gz XPQFLKXAOYYDIO-IYBDPMFKSA-N 2 2 343.475 2.117 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000435052748 467443462 /nfs/dbraw/zinc/44/34/62/467443462.db2.gz XPQFLKXAOYYDIO-IYBDPMFKSA-N 2 2 343.475 2.117 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(N2CCOCC2)c1 ZINC000453255938 467470338 /nfs/dbraw/zinc/47/03/38/467470338.db2.gz FUZUINWURYBFGO-XLIONFOSSA-N 2 2 347.503 2.021 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(N2CCOCC2)c1 ZINC000453255938 467470341 /nfs/dbraw/zinc/47/03/41/467470341.db2.gz FUZUINWURYBFGO-XLIONFOSSA-N 2 2 347.503 2.021 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000453309069 467478672 /nfs/dbraw/zinc/47/86/72/467478672.db2.gz OVWXHPPYDVEMLS-JKOKRWQUSA-N 2 2 327.270 2.145 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000453309069 467478675 /nfs/dbraw/zinc/47/86/75/467478675.db2.gz OVWXHPPYDVEMLS-JKOKRWQUSA-N 2 2 327.270 2.145 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1NC(C)=O ZINC000449391363 467636326 /nfs/dbraw/zinc/63/63/26/467636326.db2.gz ICBFCULRFXLFRZ-RHSMWYFYSA-N 2 2 349.475 2.151 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1NC(C)=O ZINC000449391363 467636328 /nfs/dbraw/zinc/63/63/28/467636328.db2.gz ICBFCULRFXLFRZ-RHSMWYFYSA-N 2 2 349.475 2.151 10 0 EEAELP OCCN1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000449398979 467640120 /nfs/dbraw/zinc/64/01/20/467640120.db2.gz ZHITWGQKHJGGAS-HXUWFJFHSA-N 2 2 331.504 2.087 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000515003221 467967739 /nfs/dbraw/zinc/96/77/39/467967739.db2.gz RVNJMRKWSIVSPX-AWEZNQCLSA-N 2 2 342.447 2.072 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC1(O)CCC1 ZINC000551900731 468268629 /nfs/dbraw/zinc/26/86/29/468268629.db2.gz CDJXHGAENLQLFT-CYBMUJFWSA-N 2 2 328.416 2.251 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC1(O)CCC1 ZINC000551900731 468268633 /nfs/dbraw/zinc/26/86/33/468268633.db2.gz CDJXHGAENLQLFT-CYBMUJFWSA-N 2 2 328.416 2.251 10 0 EEAELP COCC[NH2+]C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000569854662 468554236 /nfs/dbraw/zinc/55/42/36/468554236.db2.gz HVUQUWKARCRDKB-SJORKVTESA-N 2 2 347.503 2.261 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000594928215 468724809 /nfs/dbraw/zinc/72/48/09/468724809.db2.gz GMWOEOSFWDLKCC-SVGFKBNWSA-N 2 2 327.428 2.491 10 0 EEAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595005316 468742040 /nfs/dbraw/zinc/74/20/40/468742040.db2.gz WRPNSAIBEHOSKD-OAGGEKHMSA-N 2 2 328.497 2.443 10 0 EEAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595005316 468742041 /nfs/dbraw/zinc/74/20/41/468742041.db2.gz WRPNSAIBEHOSKD-OAGGEKHMSA-N 2 2 328.497 2.443 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](c1[nH+]ccn1C)C(F)(F)F ZINC000571223143 468756735 /nfs/dbraw/zinc/75/67/35/468756735.db2.gz RNIFTDIAMRKQDQ-OLZOCXBDSA-N 2 2 346.397 2.447 10 0 EEAELP C[C@@H](CSCCF)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000595099365 468757920 /nfs/dbraw/zinc/75/79/20/468757920.db2.gz LWSDZAVMXWEWEC-FUHWJXTLSA-N 2 2 339.524 2.483 10 0 EEAELP C[C@@H](CSCCF)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000595099365 468757922 /nfs/dbraw/zinc/75/79/22/468757922.db2.gz LWSDZAVMXWEWEC-FUHWJXTLSA-N 2 2 339.524 2.483 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)nc2c1 ZINC000595348609 468820770 /nfs/dbraw/zinc/82/07/70/468820770.db2.gz UGJPRBKFTSQPGD-OCCSQVGLSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@H](C)C3)nc2c1 ZINC000595348609 468820773 /nfs/dbraw/zinc/82/07/73/468820773.db2.gz UGJPRBKFTSQPGD-OCCSQVGLSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)[C@H](C)C3)nc2c1 ZINC000595348609 468820778 /nfs/dbraw/zinc/82/07/78/468820778.db2.gz UGJPRBKFTSQPGD-OCCSQVGLSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@H](C)C3)nc2c1 ZINC000595348609 468820779 /nfs/dbraw/zinc/82/07/79/468820779.db2.gz UGJPRBKFTSQPGD-OCCSQVGLSA-N 2 2 330.432 2.264 10 0 EEAELP C[N@@H+]1CCO[C@H](CSCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000573322951 469106782 /nfs/dbraw/zinc/10/67/82/469106782.db2.gz LPDQCXHMIWCVDN-SFHVURJKSA-N 2 2 336.501 2.083 10 0 EEAELP C[N@H+]1CCO[C@H](CSCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000573322951 469106785 /nfs/dbraw/zinc/10/67/85/469106785.db2.gz LPDQCXHMIWCVDN-SFHVURJKSA-N 2 2 336.501 2.083 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1Cl ZINC000618547763 469385545 /nfs/dbraw/zinc/38/55/45/469385545.db2.gz ZKEWRPFTDNGWSU-CZUORRHYSA-N 2 2 338.883 2.336 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000618547763 469385553 /nfs/dbraw/zinc/38/55/53/469385553.db2.gz ZKEWRPFTDNGWSU-CZUORRHYSA-N 2 2 338.883 2.336 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000629583471 469583651 /nfs/dbraw/zinc/58/36/51/469583651.db2.gz ACJCVUQVMXWRLR-LZHHDGSFSA-N 2 2 331.504 2.003 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CC(=O)NC13CC4CC(CC(C4)C1)C3)C2 ZINC000629583471 469583656 /nfs/dbraw/zinc/58/36/56/469583656.db2.gz ACJCVUQVMXWRLR-LZHHDGSFSA-N 2 2 331.504 2.003 10 0 EEAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584509 469585236 /nfs/dbraw/zinc/58/52/36/469585236.db2.gz AFWWXYBIIPNPGD-PNHOKKKMSA-N 2 2 338.455 2.493 10 0 EEAELP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584509 469585241 /nfs/dbraw/zinc/58/52/41/469585241.db2.gz AFWWXYBIIPNPGD-PNHOKKKMSA-N 2 2 338.455 2.493 10 0 EEAELP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629601338 469589590 /nfs/dbraw/zinc/58/95/90/469589590.db2.gz JENGPFMPKOVCIU-RBUKOAKNSA-N 2 2 346.471 2.235 10 0 EEAELP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629601338 469589595 /nfs/dbraw/zinc/58/95/95/469589595.db2.gz JENGPFMPKOVCIU-RBUKOAKNSA-N 2 2 346.471 2.235 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1ccccc1-n1cc[nH+]c1)C2 ZINC000626948679 469766157 /nfs/dbraw/zinc/76/61/57/469766157.db2.gz XZVCVQOBYPGILZ-KDURUIRLSA-N 2 2 339.443 2.013 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000617765542 469795533 /nfs/dbraw/zinc/79/55/33/469795533.db2.gz FRHTZDTUTJDJEG-IBGZPJMESA-N 2 2 347.503 2.194 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc([C@H]2CCCOC2)c1 ZINC000617765542 469795537 /nfs/dbraw/zinc/79/55/37/469795537.db2.gz FRHTZDTUTJDJEG-IBGZPJMESA-N 2 2 347.503 2.194 10 0 EEAELP COc1ccc2occ(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000617764021 469796712 /nfs/dbraw/zinc/79/67/12/469796712.db2.gz FZTDOESGLOMPGD-UHFFFAOYSA-N 2 2 333.432 2.055 10 0 EEAELP COc1ccc2occ(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000617764021 469796715 /nfs/dbraw/zinc/79/67/15/469796715.db2.gz FZTDOESGLOMPGD-UHFFFAOYSA-N 2 2 333.432 2.055 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000617766393 469797726 /nfs/dbraw/zinc/79/77/26/469797726.db2.gz IUYBMOOCRKUTCM-HOCLYGCPSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000617766393 469797729 /nfs/dbraw/zinc/79/77/29/469797729.db2.gz IUYBMOOCRKUTCM-HOCLYGCPSA-N 2 2 339.430 2.068 10 0 EEAELP Cc1c(Cl)cccc1OCC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766789 469797844 /nfs/dbraw/zinc/79/78/44/469797844.db2.gz VJERWQWCMBPLOY-UHFFFAOYSA-N 2 2 341.883 2.027 10 0 EEAELP Cc1c(Cl)cccc1OCC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766789 469797846 /nfs/dbraw/zinc/79/78/46/469797846.db2.gz VJERWQWCMBPLOY-UHFFFAOYSA-N 2 2 341.883 2.027 10 0 EEAELP C[N@@H+]1CCC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000617917541 469836621 /nfs/dbraw/zinc/83/66/21/469836621.db2.gz MVNMSZCKZSFJLG-ZDUSSCGKSA-N 2 2 337.493 2.345 10 0 EEAELP C[N@H+]1CCC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000617917541 469836623 /nfs/dbraw/zinc/83/66/23/469836623.db2.gz MVNMSZCKZSFJLG-ZDUSSCGKSA-N 2 2 337.493 2.345 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000617917540 469837061 /nfs/dbraw/zinc/83/70/61/469837061.db2.gz MVNMSZCKZSFJLG-CYBMUJFWSA-N 2 2 337.493 2.345 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000617917540 469837064 /nfs/dbraw/zinc/83/70/64/469837064.db2.gz MVNMSZCKZSFJLG-CYBMUJFWSA-N 2 2 337.493 2.345 10 0 EEAELP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1c1nc2ccccc2n2c[nH+]cc12 ZINC000624142376 469854988 /nfs/dbraw/zinc/85/49/88/469854988.db2.gz VKQNMRWOCBHEQK-AWEZNQCLSA-N 2 2 339.443 2.164 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccsc1)CC2 ZINC000627724040 469983074 /nfs/dbraw/zinc/98/30/74/469983074.db2.gz RNCUDOBBSZXAIO-INIZCTEOSA-N 2 2 346.500 2.406 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC([NH+]3CCCCC3)CC1)CC2 ZINC000624591642 469984338 /nfs/dbraw/zinc/98/43/38/469984338.db2.gz ZKRZGQUDCPGCBS-INIZCTEOSA-N 2 2 330.476 2.231 10 0 EEAELP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cc(C)no2)CC1 ZINC000631046429 470055872 /nfs/dbraw/zinc/05/58/72/470055872.db2.gz HUXTVWKWJOFQPN-UHFFFAOYSA-N 2 2 328.460 2.410 10 0 EEAELP CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631177505 470087186 /nfs/dbraw/zinc/08/71/86/470087186.db2.gz OUFOUWBQUGVHGY-GOSISDBHSA-N 2 2 348.487 2.302 10 0 EEAELP COc1ncncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195704 470090756 /nfs/dbraw/zinc/09/07/56/470090756.db2.gz ZWLJSYKCFWLOBB-YJBOKZPZSA-N 2 2 326.444 2.343 10 0 EEAELP COc1ncncc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195704 470090759 /nfs/dbraw/zinc/09/07/59/470090759.db2.gz ZWLJSYKCFWLOBB-YJBOKZPZSA-N 2 2 326.444 2.343 10 0 EEAELP Cc1c[nH]c(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000628324696 470091494 /nfs/dbraw/zinc/09/14/94/470091494.db2.gz FERBUIAQXCIKQT-ROUUACIJSA-N 2 2 326.444 2.193 10 0 EEAELP Cc1c[nH]c(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000628324696 470091497 /nfs/dbraw/zinc/09/14/97/470091497.db2.gz FERBUIAQXCIKQT-ROUUACIJSA-N 2 2 326.444 2.193 10 0 EEAELP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631463795 470146790 /nfs/dbraw/zinc/14/67/90/470146790.db2.gz CRZCBJMERVTYJZ-YJBOKZPZSA-N 2 2 326.444 2.213 10 0 EEAELP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631463795 470146793 /nfs/dbraw/zinc/14/67/93/470146793.db2.gz CRZCBJMERVTYJZ-YJBOKZPZSA-N 2 2 326.444 2.213 10 0 EEAELP CCC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(C)ccn1 ZINC000631582803 470173435 /nfs/dbraw/zinc/17/34/35/470173435.db2.gz UCOHBIGTGAXPFF-OALUTQOASA-N 2 2 346.519 2.227 10 0 EEAELP [NH3+][C@@H]1CCCCC[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000631832841 470186306 /nfs/dbraw/zinc/18/63/06/470186306.db2.gz OHIKMIQVZQZWDK-OAHLLOKOSA-N 2 2 340.471 2.256 10 0 EEAELP [NH3+][C@@H]1CCCCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000631832841 470186307 /nfs/dbraw/zinc/18/63/07/470186307.db2.gz OHIKMIQVZQZWDK-OAHLLOKOSA-N 2 2 340.471 2.256 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000648722759 470325691 /nfs/dbraw/zinc/32/56/91/470325691.db2.gz JCAITKVCHSUONB-CQSZACIVSA-N 2 2 325.416 2.403 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cccc(OC)c2OC(F)F)C[C@H]1C[NH3+] ZINC000650715340 470948625 /nfs/dbraw/zinc/94/86/25/470948625.db2.gz YSJVFGRXBUXWHD-TZMCWYRMSA-N 2 2 330.375 2.092 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cccc(OC)c2OC(F)F)C[C@H]1C[NH3+] ZINC000650715340 470948631 /nfs/dbraw/zinc/94/86/31/470948631.db2.gz YSJVFGRXBUXWHD-TZMCWYRMSA-N 2 2 330.375 2.092 10 0 EEAELP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000644547877 470980059 /nfs/dbraw/zinc/98/00/59/470980059.db2.gz DMRONWAYYAKDDK-TZNLOLHFSA-N 2 2 334.460 2.152 10 0 EEAELP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000644547877 470980062 /nfs/dbraw/zinc/98/00/62/470980062.db2.gz DMRONWAYYAKDDK-TZNLOLHFSA-N 2 2 334.460 2.152 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899305 471010468 /nfs/dbraw/zinc/01/04/68/471010468.db2.gz GAXXEKPAUIUSJF-WMZOPIPTSA-N 2 2 349.906 2.463 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899305 471010469 /nfs/dbraw/zinc/01/04/69/471010469.db2.gz GAXXEKPAUIUSJF-WMZOPIPTSA-N 2 2 349.906 2.463 10 0 EEAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901222 471012477 /nfs/dbraw/zinc/01/24/77/471012477.db2.gz LDNQLHGAVQQEDA-YESZJQIVSA-N 2 2 348.491 2.944 10 0 EEAELP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901222 471012478 /nfs/dbraw/zinc/01/24/78/471012478.db2.gz LDNQLHGAVQQEDA-YESZJQIVSA-N 2 2 348.491 2.944 10 0 EEAELP C[N@H+]1C[C@H]2CCN(Cc3c[nH+]c4ccc(Br)cn34)[C@@H]2C1 ZINC000644840524 471062043 /nfs/dbraw/zinc/06/20/43/471062043.db2.gz LAAPVKVMAHIELU-BXUZGUMPSA-N 2 2 335.249 2.233 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(F)cc1 ZINC000651146236 471068254 /nfs/dbraw/zinc/06/82/54/471068254.db2.gz PALDCYAIKZMJKO-QGZVFWFLSA-N 2 2 344.434 2.320 10 0 EEAELP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651168250 471075629 /nfs/dbraw/zinc/07/56/29/471075629.db2.gz OIZGDKNMSJWZMW-HNNXBMFYSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651168250 471075632 /nfs/dbraw/zinc/07/56/32/471075632.db2.gz OIZGDKNMSJWZMW-HNNXBMFYSA-N 2 2 332.492 2.389 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655470746 471339675 /nfs/dbraw/zinc/33/96/75/471339675.db2.gz NOFUSDAUFBNJHE-NVXWUHKLSA-N 2 2 339.842 2.483 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000655470746 471339683 /nfs/dbraw/zinc/33/96/83/471339683.db2.gz NOFUSDAUFBNJHE-NVXWUHKLSA-N 2 2 339.842 2.483 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000660566911 471395864 /nfs/dbraw/zinc/39/58/64/471395864.db2.gz KSCKBMYMADTXNJ-UHFFFAOYSA-N 2 2 337.431 2.261 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666461407 471411459 /nfs/dbraw/zinc/41/14/59/471411459.db2.gz GZZPTPVPFUDHOZ-XHSDSOJGSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666461407 471411465 /nfs/dbraw/zinc/41/14/65/471411465.db2.gz GZZPTPVPFUDHOZ-XHSDSOJGSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666461407 471411470 /nfs/dbraw/zinc/41/14/70/471411470.db2.gz GZZPTPVPFUDHOZ-XHSDSOJGSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666461407 471411477 /nfs/dbraw/zinc/41/14/77/471411477.db2.gz GZZPTPVPFUDHOZ-XHSDSOJGSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803554 471489238 /nfs/dbraw/zinc/48/92/38/471489238.db2.gz SSCIFKDVXVXKTR-KURKYZTESA-N 2 2 346.519 2.133 10 0 EEAELP C[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803553 471489551 /nfs/dbraw/zinc/48/95/51/471489551.db2.gz SPDRELVFOILHLV-ZACQAIPSSA-N 2 2 332.492 2.138 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000666711637 471505362 /nfs/dbraw/zinc/50/53/62/471505362.db2.gz AUCKHYFCLSAOCJ-ZDUSSCGKSA-N 2 2 328.416 2.094 10 0 EEAELP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000666711637 471505369 /nfs/dbraw/zinc/50/53/69/471505369.db2.gz AUCKHYFCLSAOCJ-ZDUSSCGKSA-N 2 2 328.416 2.094 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653159797 471513359 /nfs/dbraw/zinc/51/33/59/471513359.db2.gz NTSIPWJOMFZYRA-MSOLQXFVSA-N 2 2 347.890 2.345 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653159797 471513362 /nfs/dbraw/zinc/51/33/62/471513362.db2.gz NTSIPWJOMFZYRA-MSOLQXFVSA-N 2 2 347.890 2.345 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1OCc1ccccc1 ZINC000653257509 471555199 /nfs/dbraw/zinc/55/51/99/471555199.db2.gz AUIFJJZMUZORBZ-MRXNPFEDSA-N 2 2 327.428 2.483 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccccc1OCc1ccccc1 ZINC000653257508 471555373 /nfs/dbraw/zinc/55/53/73/471555373.db2.gz AUIFJJZMUZORBZ-INIZCTEOSA-N 2 2 327.428 2.483 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NCCC[NH+]3CCOCC3)n2)C1 ZINC000656103903 471589303 /nfs/dbraw/zinc/58/93/03/471589303.db2.gz SSNBYDRIPFPAKO-UHFFFAOYSA-N 2 2 333.480 2.237 10 0 EEAELP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000667147331 471670488 /nfs/dbraw/zinc/67/04/88/471670488.db2.gz ABBQHBVXBKSRRO-HNNXBMFYSA-N 3 2 346.479 2.036 10 0 EEAELP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000667147331 471670490 /nfs/dbraw/zinc/67/04/90/471670490.db2.gz ABBQHBVXBKSRRO-HNNXBMFYSA-N 3 2 346.479 2.036 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2c[nH+]c[nH]2)CC1 ZINC000664288977 471706859 /nfs/dbraw/zinc/70/68/59/471706859.db2.gz STOKGFYAQUAVPX-UHFFFAOYSA-N 2 2 342.447 2.216 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)Cc2c[nH]c[nH+]2)CC1 ZINC000664288977 471706864 /nfs/dbraw/zinc/70/68/64/471706864.db2.gz STOKGFYAQUAVPX-UHFFFAOYSA-N 2 2 342.447 2.216 10 0 EEAELP c1c(C[NH+]2CCSCC2)nnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000656456350 471722932 /nfs/dbraw/zinc/72/29/32/471722932.db2.gz ZRAHKMQHXARCGW-GOSISDBHSA-N 2 2 343.500 2.274 10 0 EEAELP c1c(C[NH+]2CCSCC2)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456350 471722935 /nfs/dbraw/zinc/72/29/35/471722935.db2.gz ZRAHKMQHXARCGW-GOSISDBHSA-N 2 2 343.500 2.274 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000664522132 471779869 /nfs/dbraw/zinc/77/98/69/471779869.db2.gz VUIYZILNFBLINR-OAHLLOKOSA-N 2 2 333.480 2.080 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000664522132 471779874 /nfs/dbraw/zinc/77/98/74/471779874.db2.gz VUIYZILNFBLINR-OAHLLOKOSA-N 2 2 333.480 2.080 10 0 EEAELP C[N@H+](CCO[C@@H]1CC1(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659990811 471817536 /nfs/dbraw/zinc/81/75/36/471817536.db2.gz HQBKDLPWGCLTJI-QGZVFWFLSA-N 2 2 339.430 2.445 10 0 EEAELP C[N@@H+](CCO[C@@H]1CC1(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659990811 471817543 /nfs/dbraw/zinc/81/75/43/471817543.db2.gz HQBKDLPWGCLTJI-QGZVFWFLSA-N 2 2 339.430 2.445 10 0 EEAELP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000667710183 471875818 /nfs/dbraw/zinc/87/58/18/471875818.db2.gz XYPNUAWVYDXQQC-SQNIBIBYSA-N 2 2 328.416 2.036 10 0 EEAELP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000667710183 471875820 /nfs/dbraw/zinc/87/58/20/471875820.db2.gz XYPNUAWVYDXQQC-SQNIBIBYSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H](C)O2 ZINC000668098389 472006813 /nfs/dbraw/zinc/00/68/13/472006813.db2.gz HPTNXTZEJXFUNO-GJYPPUQNSA-N 2 2 342.443 2.426 10 0 EEAELP C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C[C@H](C)O2 ZINC000668098389 472006817 /nfs/dbraw/zinc/00/68/17/472006817.db2.gz HPTNXTZEJXFUNO-GJYPPUQNSA-N 2 2 342.443 2.426 10 0 EEAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000668197652 472045073 /nfs/dbraw/zinc/04/50/73/472045073.db2.gz SEWWNKHILUBTSJ-QGZVFWFLSA-N 2 2 340.471 2.413 10 0 EEAELP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000668197652 472045078 /nfs/dbraw/zinc/04/50/78/472045078.db2.gz SEWWNKHILUBTSJ-QGZVFWFLSA-N 2 2 340.471 2.413 10 0 EEAELP CCN1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662282690 472056628 /nfs/dbraw/zinc/05/66/28/472056628.db2.gz PXELYHBAKMUOFI-COXVUDFISA-N 2 2 341.858 2.192 10 0 EEAELP CCN1CC[C@H]([NH2+]C[C@H]2C[NH2+]CCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662282702 472056755 /nfs/dbraw/zinc/05/67/55/472056755.db2.gz PXELYHBAKMUOFI-XOKHGSTOSA-N 2 2 341.858 2.192 10 0 EEAELP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)Nc1cccc(Br)c1 ZINC000662304635 472063675 /nfs/dbraw/zinc/06/36/75/472063675.db2.gz SJRPUMRSOVBPAM-UHFFFAOYSA-N 2 2 338.249 2.201 10 0 EEAELP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)Nc1cccc(Br)c1 ZINC000662304635 472063680 /nfs/dbraw/zinc/06/36/80/472063680.db2.gz SJRPUMRSOVBPAM-UHFFFAOYSA-N 2 2 338.249 2.201 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319905 472068522 /nfs/dbraw/zinc/06/85/22/472068522.db2.gz QDXVCYSDOPBKKB-HKUYNNGSSA-N 2 2 347.503 2.076 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319905 472068531 /nfs/dbraw/zinc/06/85/31/472068531.db2.gz QDXVCYSDOPBKKB-HKUYNNGSSA-N 2 2 347.503 2.076 10 0 EEAELP Cc1[nH+]cc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000668285980 472070643 /nfs/dbraw/zinc/07/06/43/472070643.db2.gz WXWALVLAPDCRBW-WOJBJXKFSA-N 2 2 340.471 2.204 10 0 EEAELP Cc1[nH+]cc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000668285980 472070649 /nfs/dbraw/zinc/07/06/49/472070649.db2.gz WXWALVLAPDCRBW-WOJBJXKFSA-N 2 2 340.471 2.204 10 0 EEAELP C[NH2+][C@@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cccc(Cl)c1Cl ZINC000662568024 472156499 /nfs/dbraw/zinc/15/64/99/472156499.db2.gz PBDLJYUSUQKFGH-UKRRQHHQSA-N 2 2 348.249 2.414 10 0 EEAELP CN(C(=O)c1ccc(F)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000668619036 472197829 /nfs/dbraw/zinc/19/78/29/472197829.db2.gz YJKXAVAAKFFYBR-ZDUSSCGKSA-N 2 2 325.453 2.128 10 0 EEAELP [NH3+][C@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1c(F)cccc1F ZINC000662686279 472207013 /nfs/dbraw/zinc/20/70/13/472207013.db2.gz LPQHXJIBRBNBNY-RDJZCZTQSA-N 2 2 347.365 2.264 10 0 EEAELP c1cn(-c2csc(C[N@H+](CCN3CCOCC3)CC3CC3)c2)c[nH+]1 ZINC000668681026 472222967 /nfs/dbraw/zinc/22/29/67/472222967.db2.gz BXKCXWVGIZUIRO-UHFFFAOYSA-N 2 2 346.500 2.478 10 0 EEAELP c1cn(-c2csc(C[N@@H+](CCN3CCOCC3)CC3CC3)c2)c[nH+]1 ZINC000668681026 472222971 /nfs/dbraw/zinc/22/29/71/472222971.db2.gz BXKCXWVGIZUIRO-UHFFFAOYSA-N 2 2 346.500 2.478 10 0 EEAELP COc1cc(OC)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000668787231 472266342 /nfs/dbraw/zinc/26/63/42/472266342.db2.gz PVRMCFMJDORMEY-OAHLLOKOSA-N 2 2 340.439 2.386 10 0 EEAELP COc1cc(OC)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000668787231 472266351 /nfs/dbraw/zinc/26/63/51/472266351.db2.gz PVRMCFMJDORMEY-OAHLLOKOSA-N 2 2 340.439 2.386 10 0 EEAELP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662849004 472278555 /nfs/dbraw/zinc/27/85/55/472278555.db2.gz DMWJQZJQCBURQK-XIRDDKMYSA-N 2 2 328.460 2.219 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169120 472333799 /nfs/dbraw/zinc/33/37/99/472333799.db2.gz RSOVBGSKDOQKBF-GDBMZVCRSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000666169120 472333803 /nfs/dbraw/zinc/33/38/03/472333803.db2.gz RSOVBGSKDOQKBF-GDBMZVCRSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[N@@H+]1CCc2ccccc2C1 ZINC000666169120 472333805 /nfs/dbraw/zinc/33/38/05/472333805.db2.gz RSOVBGSKDOQKBF-GDBMZVCRSA-N 2 2 338.455 2.078 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[N@H+]1CCc2ccccc2C1 ZINC000666169120 472333809 /nfs/dbraw/zinc/33/38/09/472333809.db2.gz RSOVBGSKDOQKBF-GDBMZVCRSA-N 2 2 338.455 2.078 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2cc3ccccc3[nH]2)C1=O ZINC000683929794 485689920 /nfs/dbraw/zinc/68/99/20/485689920.db2.gz DWPFWXCOIZEZKV-KRWDZBQOSA-N 2 2 337.427 2.182 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCC1([NH+](C)C)CCCCCC1)CC2 ZINC000679887240 485836776 /nfs/dbraw/zinc/83/67/76/485836776.db2.gz OVUFBCGFLZMGFL-UHFFFAOYSA-N 2 2 333.480 2.371 10 0 EEAELP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCn2cc(C)[nH+]c2C1)c1ccco1 ZINC000673142289 486281145 /nfs/dbraw/zinc/28/11/45/486281145.db2.gz JWCBUKKWLWLRIL-DZGCQCFKSA-N 2 2 345.447 2.439 10 0 EEAELP CN(C(=O)c1scnc1C1CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677669959 486473375 /nfs/dbraw/zinc/47/33/75/486473375.db2.gz SNRFQSGGZKHFGV-HNNXBMFYSA-N 2 2 348.516 2.261 10 0 EEAELP CN(C(=O)c1scnc1C1CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677669959 486473378 /nfs/dbraw/zinc/47/33/78/486473378.db2.gz SNRFQSGGZKHFGV-HNNXBMFYSA-N 2 2 348.516 2.261 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cscn1 ZINC000678585027 486646503 /nfs/dbraw/zinc/64/65/03/486646503.db2.gz KHPOSNQOFCHODO-OAHLLOKOSA-N 2 2 344.484 2.138 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cn2c1 ZINC000171880601 534506515 /nfs/dbraw/zinc/50/65/15/534506515.db2.gz BZKQRPHOLYTZIQ-INIZCTEOSA-N 2 2 344.484 2.183 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[N@H+]4CCC[C@H]4C3)cn2c1 ZINC000171880601 534506527 /nfs/dbraw/zinc/50/65/27/534506527.db2.gz BZKQRPHOLYTZIQ-INIZCTEOSA-N 2 2 344.484 2.183 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(C)nc3C)CC2)CC1 ZINC000422005539 535465051 /nfs/dbraw/zinc/46/50/51/535465051.db2.gz JJIYJEMEZCLPBD-UHFFFAOYSA-N 2 2 344.503 2.331 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(C)nc3C)CC2)CC1 ZINC000422005539 535465057 /nfs/dbraw/zinc/46/50/57/535465057.db2.gz JJIYJEMEZCLPBD-UHFFFAOYSA-N 2 2 344.503 2.331 10 0 EEAELP CC[NH+](CC)CCN(CC(C)C)c1cc[nH+]c(N2CCOCC2)n1 ZINC000443488027 535524131 /nfs/dbraw/zinc/52/41/31/535524131.db2.gz IGENGPDUQPFYQI-UHFFFAOYSA-N 2 2 335.496 2.117 10 0 EEAELP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422795994 535611755 /nfs/dbraw/zinc/61/17/55/535611755.db2.gz XGKYFUNBEUJBKN-UXHICEINSA-N 3 2 331.504 2.385 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1C ZINC000745785905 577918518 /nfs/dbraw/zinc/91/85/18/577918518.db2.gz BZNVNRQIYSLFIS-HIFRSBDPSA-N 2 2 334.464 2.331 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000745785905 577918519 /nfs/dbraw/zinc/91/85/19/577918519.db2.gz BZNVNRQIYSLFIS-HIFRSBDPSA-N 2 2 334.464 2.331 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000321246655 689116487 /nfs/dbraw/zinc/11/64/87/689116487.db2.gz YPICABLTJAVWDQ-UHFFFAOYSA-N 2 2 346.353 2.130 10 0 EEAELP CC1([NH+]2CCCC2)CCC(NC(=O)NCCCn2cc[nH+]c2)CC1 ZINC000905141291 694548832 /nfs/dbraw/zinc/54/88/32/694548832.db2.gz NISPRVSGYMNSGH-UHFFFAOYSA-N 2 2 333.480 2.370 10 0 EEAELP CC[N@H+]1[C@H](C)CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@@H]1C ZINC000898383781 693299385 /nfs/dbraw/zinc/29/93/85/693299385.db2.gz FEMAEWDTMJGITC-OKILXGFUSA-N 2 2 328.416 2.133 10 0 EEAELP CC[N@@H+]1[C@H](C)CN(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C[C@@H]1C 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330.476 2.286 10 0 EEAELP Cc1ncsc1C[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001267334742 1178777142 /nfs/dbraw/zinc/77/71/42/1178777142.db2.gz SJLOAIYEHVXZRG-UHFFFAOYSA-N 2 2 349.504 2.144 10 0 EEAELP Cc1ncsc1C[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)C(C)C ZINC001267334742 1178777145 /nfs/dbraw/zinc/77/71/45/1178777145.db2.gz SJLOAIYEHVXZRG-UHFFFAOYSA-N 2 2 349.504 2.144 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[NH2+]Cc1nc(C)cs1 ZINC001267375035 1178900371 /nfs/dbraw/zinc/90/03/71/1178900371.db2.gz RSCDHTOXTKVDKE-CQSZACIVSA-N 2 2 349.504 2.410 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@H]1CCC(F)(F)C1 ZINC001480979488 1179415624 /nfs/dbraw/zinc/41/56/24/1179415624.db2.gz KTCPKQJGZABMLD-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH]c[nH+]1)C[C@H]1CCC(F)(F)C1 ZINC001480979488 1179415628 /nfs/dbraw/zinc/41/56/28/1179415628.db2.gz KTCPKQJGZABMLD-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C[C@H]1CCC(F)(F)C1 ZINC001480979488 1179415633 /nfs/dbraw/zinc/41/56/33/1179415633.db2.gz KTCPKQJGZABMLD-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]c[nH]1)C[C@H]1CCC(F)(F)C1 ZINC001480979488 1179415636 /nfs/dbraw/zinc/41/56/36/1179415636.db2.gz KTCPKQJGZABMLD-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)CCCC[NH+]2CCCC2)co1 ZINC001481073007 1179676220 /nfs/dbraw/zinc/67/62/20/1179676220.db2.gz CSWUGBQQIZHUNV-SFHVURJKSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)CCCC[NH+]2CCCC2)co1 ZINC001481073007 1179676224 /nfs/dbraw/zinc/67/62/24/1179676224.db2.gz CSWUGBQQIZHUNV-SFHVURJKSA-N 2 2 348.491 2.330 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481098815 1179736384 /nfs/dbraw/zinc/73/63/84/1179736384.db2.gz HWMWOUJIUMNFOY-NMBNSIPYSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001481098815 1179736388 /nfs/dbraw/zinc/73/63/88/1179736388.db2.gz HWMWOUJIUMNFOY-NMBNSIPYSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267657583 1180116137 /nfs/dbraw/zinc/11/61/37/1180116137.db2.gz AEGZFFKCPMFLBV-IAGOWNOFSA-N 2 2 330.476 2.192 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267657583 1180116141 /nfs/dbraw/zinc/11/61/41/1180116141.db2.gz AEGZFFKCPMFLBV-IAGOWNOFSA-N 2 2 330.476 2.192 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001481249260 1180461676 /nfs/dbraw/zinc/46/16/76/1180461676.db2.gz BDHGOZTVWRJDOP-SFHVURJKSA-N 2 2 340.471 2.256 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]CC[C@H]1CCCC1(F)F ZINC001481290749 1180902276 /nfs/dbraw/zinc/90/22/76/1180902276.db2.gz QAMWPMVQVGBLGU-ZIAGYGMSSA-N 2 2 342.434 2.462 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]CC[C@H]1CCCC1(F)F ZINC001481290749 1180902281 /nfs/dbraw/zinc/90/22/81/1180902281.db2.gz QAMWPMVQVGBLGU-ZIAGYGMSSA-N 2 2 342.434 2.462 10 0 EEAELP CC/C=C/CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001481639636 1182010194 /nfs/dbraw/zinc/01/01/94/1182010194.db2.gz BXNJQJSFRZVNHB-RTLBZRNLSA-N 2 2 349.519 2.034 10 0 EEAELP CC/C=C/CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001481639636 1182010201 /nfs/dbraw/zinc/01/02/01/1182010201.db2.gz BXNJQJSFRZVNHB-RTLBZRNLSA-N 2 2 349.519 2.034 10 0 EEAELP CCOCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268282415 1182153032 /nfs/dbraw/zinc/15/30/32/1182153032.db2.gz XLMXOXLRZIHIAC-HIFRSBDPSA-N 2 2 330.432 2.088 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC1C[NH+]([C@H]2CCc3c2c(F)ccc3F)C1 ZINC001481658592 1182154106 /nfs/dbraw/zinc/15/41/06/1182154106.db2.gz NCCWFMWVYRVDTO-KRWDZBQOSA-N 2 2 349.425 2.096 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cccc(C(C)C)n1 ZINC001481860731 1182825500 /nfs/dbraw/zinc/82/55/00/1182825500.db2.gz CVTSVNDWIAGQKK-AWEZNQCLSA-N 2 2 329.448 2.155 10 0 EEAELP Cc1nc(C[NH2+]C[C@@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)co1 ZINC001481943742 1183005995 /nfs/dbraw/zinc/00/59/95/1183005995.db2.gz KOJBWVAPHGGWHY-SCLBCKFNSA-N 2 2 345.447 2.205 10 0 EEAELP C[C@](C[NH2+]CCc1ccccc1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001481947703 1183015071 /nfs/dbraw/zinc/01/50/71/1183015071.db2.gz JQPOBIPXQSBEAW-LJQANCHMSA-N 2 2 326.444 2.069 10 0 EEAELP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C[NH2+]CC1CC(C)C1 ZINC001482101949 1183335024 /nfs/dbraw/zinc/33/50/24/1183335024.db2.gz HUEIPSJKFYYKQS-HWOWSKLDSA-N 2 2 332.492 2.150 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1 ZINC001268597788 1183496456 /nfs/dbraw/zinc/49/64/56/1183496456.db2.gz ATBXOYINWVBMAD-GWQWAINWSA-N 2 2 330.476 2.431 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1 ZINC001268597788 1183496459 /nfs/dbraw/zinc/49/64/59/1183496459.db2.gz ATBXOYINWVBMAD-GWQWAINWSA-N 2 2 330.476 2.431 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001482174757 1183509597 /nfs/dbraw/zinc/50/95/97/1183509597.db2.gz IQCAQQXXQYQDPX-PXAZEXFGSA-N 2 2 348.397 2.191 10 0 EEAELP Cc1ccccc1C[NH2+]C/C=C\CNC(=O)CCc1c[nH+]cn1C ZINC001268619695 1183536730 /nfs/dbraw/zinc/53/67/30/1183536730.db2.gz ARMPPQSRSJAPDB-WAYWQWQTSA-N 2 2 326.444 2.123 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268649714 1183578183 /nfs/dbraw/zinc/57/81/83/1183578183.db2.gz PYNXTXIDRUNKII-OLZOCXBDSA-N 2 2 328.407 2.262 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268649714 1183578185 /nfs/dbraw/zinc/57/81/85/1183578185.db2.gz PYNXTXIDRUNKII-OLZOCXBDSA-N 2 2 328.407 2.262 10 0 EEAELP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482191860 1183610728 /nfs/dbraw/zinc/61/07/28/1183610728.db2.gz HYMPTXOLNPKIJM-KRWDZBQOSA-N 2 2 337.508 2.034 10 0 EEAELP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001482191860 1183610733 /nfs/dbraw/zinc/61/07/33/1183610733.db2.gz HYMPTXOLNPKIJM-KRWDZBQOSA-N 2 2 337.508 2.034 10 0 EEAELP COCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268765218 1183680399 /nfs/dbraw/zinc/68/03/99/1183680399.db2.gz IVJSSNYCTCUVGT-HIFRSBDPSA-N 2 2 330.432 2.088 10 0 EEAELP CC(C)c1ccc(C[N@@H+]2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001482198157 1183824868 /nfs/dbraw/zinc/82/48/68/1183824868.db2.gz IYVORBPZOGVVNV-LJQANCHMSA-N 2 2 347.503 2.079 10 0 EEAELP CC(C)c1ccc(C[N@H+]2CCO[C@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001482198157 1183824873 /nfs/dbraw/zinc/82/48/73/1183824873.db2.gz IYVORBPZOGVVNV-LJQANCHMSA-N 2 2 347.503 2.079 10 0 EEAELP C[C@](C[NH2+]Cc1cccc(Cl)n1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001269637144 1184461348 /nfs/dbraw/zinc/46/13/48/1184461348.db2.gz APOXLKFTVZSDQE-QGZVFWFLSA-N 2 2 347.850 2.075 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CCc1ccccc1 ZINC001270436633 1185097990 /nfs/dbraw/zinc/09/79/90/1185097990.db2.gz PSEURSZCALCLHI-WMZOPIPTSA-N 2 2 340.471 2.030 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1CC[NH2+]CCCF ZINC001482454968 1185867466 /nfs/dbraw/zinc/86/74/66/1185867466.db2.gz XQBIECHZKGXSOR-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP CC(C)OCC[NH2+][C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001482537556 1186589059 /nfs/dbraw/zinc/58/90/59/1186589059.db2.gz DLZOEPKCFMMQHP-KRWDZBQOSA-N 2 2 332.448 2.332 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@H](CNC(=O)Cc1c[nH]c[nH+]1)C(C)C ZINC001482556592 1186727670 /nfs/dbraw/zinc/72/76/70/1186727670.db2.gz KOWXFZDVALMWKW-OAHLLOKOSA-N 2 2 347.463 2.303 10 0 EEAELP COCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272023509 1187033479 /nfs/dbraw/zinc/03/34/79/1187033479.db2.gz ILJLAQJEBSUNTG-IAGOWNOFSA-N 2 2 348.491 2.028 10 0 EEAELP COCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001272023509 1187033484 /nfs/dbraw/zinc/03/34/84/1187033484.db2.gz ILJLAQJEBSUNTG-IAGOWNOFSA-N 2 2 348.491 2.028 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001482688334 1187663192 /nfs/dbraw/zinc/66/31/92/1187663192.db2.gz GPGKITMGRXLSSL-QAPCUYQASA-N 2 2 344.434 2.209 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1F ZINC001482858596 1187780438 /nfs/dbraw/zinc/78/04/38/1187780438.db2.gz AXSJMYGSQSHMIB-OAHLLOKOSA-N 2 2 332.423 2.405 10 0 EEAELP C[NH+]1CCC(C(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)CC1 ZINC001483054726 1188323666 /nfs/dbraw/zinc/32/36/66/1188323666.db2.gz QVDRKDSDGCXMTR-AATRIKPKSA-N 2 2 348.491 2.076 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001272224064 1188378428 /nfs/dbraw/zinc/37/84/28/1188378428.db2.gz KXNQCMCXLXVAPL-JKSUJKDBSA-N 2 2 348.491 2.037 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001272224064 1188378434 /nfs/dbraw/zinc/37/84/34/1188378434.db2.gz KXNQCMCXLXVAPL-JKSUJKDBSA-N 2 2 348.491 2.037 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001691625325 1188400116 /nfs/dbraw/zinc/40/01/16/1188400116.db2.gz GCMWHQOQXCQEMN-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC001483100121 1188477667 /nfs/dbraw/zinc/47/76/67/1188477667.db2.gz AEJRSZQMJOJKNW-KZSQQDEKSA-N 2 2 338.455 2.395 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC001483100964 1188477950 /nfs/dbraw/zinc/47/79/50/1188477950.db2.gz RHRCWKDMNPDWNL-XQJDBVBESA-N 2 2 334.370 2.185 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001272872871 1193586922 /nfs/dbraw/zinc/58/69/22/1193586922.db2.gz DNIJMLDYNLEXOV-NVXWUHKLSA-N 2 2 326.444 2.130 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)cc1F ZINC001409373189 1189595339 /nfs/dbraw/zinc/59/53/39/1189595339.db2.gz NJEGPRXAFFHXQC-KGLIPLIRSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)cc1F ZINC001409373189 1189595342 /nfs/dbraw/zinc/59/53/42/1189595342.db2.gz NJEGPRXAFFHXQC-KGLIPLIRSA-N 2 2 332.423 2.473 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1csc(Cl)n1 ZINC001485892107 1193631749 /nfs/dbraw/zinc/63/17/49/1193631749.db2.gz MDCPIFLWQMEMDH-DGCLKSJQSA-N 2 2 344.912 2.217 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1csc(Cl)n1 ZINC001485892107 1193631750 /nfs/dbraw/zinc/63/17/50/1193631750.db2.gz MDCPIFLWQMEMDH-DGCLKSJQSA-N 2 2 344.912 2.217 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)CCc1cccs1 ZINC001409617927 1190116199 /nfs/dbraw/zinc/11/61/99/1190116199.db2.gz XSXPYXXLZNEQDF-NUEKZKHPSA-N 2 2 346.500 2.264 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)CCc1cccs1 ZINC001409617927 1190116201 /nfs/dbraw/zinc/11/62/01/1190116201.db2.gz XSXPYXXLZNEQDF-NUEKZKHPSA-N 2 2 346.500 2.264 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1F ZINC001483364593 1190404972 /nfs/dbraw/zinc/40/49/72/1190404972.db2.gz XZBFBINUSGEGEA-LBPRGKRZSA-N 2 2 336.386 2.106 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1F ZINC001483364593 1190404976 /nfs/dbraw/zinc/40/49/76/1190404976.db2.gz XZBFBINUSGEGEA-LBPRGKRZSA-N 2 2 336.386 2.106 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400788 1190443817 /nfs/dbraw/zinc/44/38/17/1190443817.db2.gz NUVQZENNRMRZLX-DZGCQCFKSA-N 2 2 333.411 2.066 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001483400788 1190443820 /nfs/dbraw/zinc/44/38/20/1190443820.db2.gz NUVQZENNRMRZLX-DZGCQCFKSA-N 2 2 333.411 2.066 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483476798 1190498480 /nfs/dbraw/zinc/49/84/80/1190498480.db2.gz JICOKIHGHFCFMN-SFHVURJKSA-N 2 2 340.471 2.126 10 0 EEAELP CN(CCC[NH2+]Cc1ccc2ncccc2c1)C(=O)Cn1cc[nH+]c1 ZINC001483513478 1190525963 /nfs/dbraw/zinc/52/59/63/1190525963.db2.gz OTOHXIFBCJQTCD-UHFFFAOYSA-N 2 2 337.427 2.070 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)ccc1C ZINC001483680637 1190741688 /nfs/dbraw/zinc/74/16/88/1190741688.db2.gz FQQDFDKWYZJWRY-MAUKXSAKSA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[N@H+]2CC[C@@H]2CNC(=O)C[NH+]2CC[C@H](C)C2)ccc1C ZINC001483680637 1190741690 /nfs/dbraw/zinc/74/16/90/1190741690.db2.gz FQQDFDKWYZJWRY-MAUKXSAKSA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[NH+]2CC[C@@H]2CNC(=O)C[N@@H+]2CC[C@H](C)C2)ccc1C ZINC001483680637 1190741691 /nfs/dbraw/zinc/74/16/91/1190741691.db2.gz FQQDFDKWYZJWRY-MAUKXSAKSA-N 2 2 345.487 2.036 10 0 EEAELP COc1cc(C[NH+]2CC[C@@H]2CNC(=O)C[N@H+]2CC[C@H](C)C2)ccc1C ZINC001483680637 1190741693 /nfs/dbraw/zinc/74/16/93/1190741693.db2.gz FQQDFDKWYZJWRY-MAUKXSAKSA-N 2 2 345.487 2.036 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001272457294 1190832218 /nfs/dbraw/zinc/83/22/18/1190832218.db2.gz PTNLCRMCOPWHKQ-KRWDZBQOSA-N 2 2 326.444 2.371 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](CC[NH2+]Cc2ccccc2)C1 ZINC001272457294 1190832221 /nfs/dbraw/zinc/83/22/21/1190832221.db2.gz PTNLCRMCOPWHKQ-KRWDZBQOSA-N 2 2 326.444 2.371 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC001483782655 1191035453 /nfs/dbraw/zinc/03/54/53/1191035453.db2.gz CYDVBIUWLANMSW-GOSISDBHSA-N 2 2 338.455 2.279 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001483801389 1191043217 /nfs/dbraw/zinc/04/32/17/1191043217.db2.gz IKSHOUDIGZAWDG-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001483801389 1191043221 /nfs/dbraw/zinc/04/32/21/1191043221.db2.gz IKSHOUDIGZAWDG-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP CCOCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001483841121 1191092763 /nfs/dbraw/zinc/09/27/63/1191092763.db2.gz FUMNLWLPCASCDL-LJQANCHMSA-N 2 2 342.443 2.137 10 0 EEAELP CCOCC[N@H+]1CC[C@@]2(CCN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)C1 ZINC001483841121 1191092765 /nfs/dbraw/zinc/09/27/65/1191092765.db2.gz FUMNLWLPCASCDL-LJQANCHMSA-N 2 2 342.443 2.137 10 0 EEAELP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CCCOc2ccccc2)C1)[NH+](C)C ZINC001483888642 1191110026 /nfs/dbraw/zinc/11/00/26/1191110026.db2.gz DGAODOFBHMFTOR-IBGZPJMESA-N 2 2 347.503 2.184 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001483893756 1191112474 /nfs/dbraw/zinc/11/24/74/1191112474.db2.gz CCFAIAIXKWYYNC-CQSZACIVSA-N 2 2 340.418 2.241 10 0 EEAELP O=C(c1cccc2[nH+]ccn21)N1CCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001483939514 1191124552 /nfs/dbraw/zinc/12/45/52/1191124552.db2.gz MFKIQKYCLQYJPH-HNNXBMFYSA-N 2 2 342.443 2.098 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001483952737 1191129799 /nfs/dbraw/zinc/12/97/99/1191129799.db2.gz MNHQJFROYMNIIV-ZDUSSCGKSA-N 2 2 346.397 2.276 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001484059769 1191181473 /nfs/dbraw/zinc/18/14/73/1191181473.db2.gz YSSVCBKNPDCWSW-KRWDZBQOSA-N 2 2 338.883 2.157 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2cccc(Cl)n2)C1 ZINC001484059769 1191181475 /nfs/dbraw/zinc/18/14/75/1191181475.db2.gz YSSVCBKNPDCWSW-KRWDZBQOSA-N 2 2 338.883 2.157 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CCCCC(F)(F)F ZINC001484377910 1191321403 /nfs/dbraw/zinc/32/14/03/1191321403.db2.gz KPQUJSOHDRNNOW-QWHCGFSZSA-N 2 2 346.397 2.369 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001484616971 1191443623 /nfs/dbraw/zinc/44/36/23/1191443623.db2.gz VKXYZJOTEBQQQD-STJXIEADSA-N 2 2 336.867 2.169 10 0 EEAELP Cc1ccc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCC2)cc1C ZINC001484664015 1191463281 /nfs/dbraw/zinc/46/32/81/1191463281.db2.gz AFHHDZIIWZDGLD-UHFFFAOYSA-N 2 2 326.444 2.329 10 0 EEAELP Cc1ccccc1C[NH2+]CC1CC(NC(=O)CCc2c[nH+]cn2C)C1 ZINC001485108180 1191657128 /nfs/dbraw/zinc/65/71/28/1191657128.db2.gz CNYGSHHNIKXKKI-UHFFFAOYSA-N 2 2 340.471 2.346 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001485216007 1191688992 /nfs/dbraw/zinc/68/89/92/1191688992.db2.gz LESDQHZHHYXDSV-KGLIPLIRSA-N 2 2 343.475 2.010 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)C1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC001485243057 1191706982 /nfs/dbraw/zinc/70/69/82/1191706982.db2.gz DKWFQJXBXZOIKN-WWDZGPRUSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001485359480 1191762738 /nfs/dbraw/zinc/76/27/38/1191762738.db2.gz XDQVPYVRQNKERR-KBPBESRZSA-N 2 2 333.411 2.005 10 0 EEAELP C[C@@H](CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001485359480 1191762740 /nfs/dbraw/zinc/76/27/40/1191762740.db2.gz XDQVPYVRQNKERR-KBPBESRZSA-N 2 2 333.411 2.005 10 0 EEAELP O=C(NC1(C[NH2+]CC2CC2)CCCCC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001485452285 1191790093 /nfs/dbraw/zinc/79/00/93/1191790093.db2.gz BDBQLGQAWQWRCX-INIZCTEOSA-N 2 2 330.476 2.264 10 0 EEAELP Cc1nc(C[N@@H+]2CCCCC[C@H]2CNC(=O)C[NH+]2CCCC2)c(C)o1 ZINC001485486520 1191809336 /nfs/dbraw/zinc/80/93/36/1191809336.db2.gz YPPWLQPVOVPUEP-KRWDZBQOSA-N 2 2 348.491 2.248 10 0 EEAELP Cc1nc(C[N@H+]2CCCCC[C@H]2CNC(=O)C[NH+]2CCCC2)c(C)o1 ZINC001485486520 1191809337 /nfs/dbraw/zinc/80/93/37/1191809337.db2.gz YPPWLQPVOVPUEP-KRWDZBQOSA-N 2 2 348.491 2.248 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1coc(C3CC3)n1)CC2 ZINC001486151544 1193701824 /nfs/dbraw/zinc/70/18/24/1193701824.db2.gz WKIAYQLZXGSOGB-QFBILLFUSA-N 2 2 346.475 2.117 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](Cc1coc(C3CC3)n1)CC2 ZINC001486151544 1193701826 /nfs/dbraw/zinc/70/18/26/1193701826.db2.gz WKIAYQLZXGSOGB-QFBILLFUSA-N 2 2 346.475 2.117 10 0 EEAELP O[C@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000702645438 1196068662 /nfs/dbraw/zinc/06/86/62/1196068662.db2.gz XNYRQVXWNANWTR-HKUYNNGSSA-N 2 2 326.444 2.014 10 0 EEAELP O[C@]1(C[NH2+][C@H]2CCCc3n[nH]cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000702645438 1196068668 /nfs/dbraw/zinc/06/86/68/1196068668.db2.gz XNYRQVXWNANWTR-HKUYNNGSSA-N 2 2 326.444 2.014 10 0 EEAELP COCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001691689727 1197506663 /nfs/dbraw/zinc/50/66/63/1197506663.db2.gz LBUKBQWMNAKOTE-INIZCTEOSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001273205226 1197531592 /nfs/dbraw/zinc/53/15/92/1197531592.db2.gz WSRWYGZJNJKMDY-KBXCAEBGSA-N 2 2 344.459 2.270 10 0 EEAELP Cc1ccc(C[NH2+][C@H](CCNC(=O)Cn2cc[nH+]c2)C(C)C)c(C)n1 ZINC001410279891 1197656957 /nfs/dbraw/zinc/65/69/57/1197656957.db2.gz FPIWHLDDWGAATM-GOSISDBHSA-N 2 2 343.475 2.216 10 0 EEAELP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001410291648 1197667419 /nfs/dbraw/zinc/66/74/19/1197667419.db2.gz GZTTZXWEDUHKNN-IAGOWNOFSA-N 2 2 330.476 2.072 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001410492652 1198046592 /nfs/dbraw/zinc/04/65/92/1198046592.db2.gz KMSQNRAUUAJUJT-LLVKDONJSA-N 2 2 336.386 2.176 10 0 EEAELP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273429279 1198815116 /nfs/dbraw/zinc/81/51/16/1198815116.db2.gz WKEMPTLHOAHCCG-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CCCCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273429279 1198815121 /nfs/dbraw/zinc/81/51/21/1198815121.db2.gz WKEMPTLHOAHCCG-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CCCCOCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273429279 1198815128 /nfs/dbraw/zinc/81/51/28/1198815128.db2.gz WKEMPTLHOAHCCG-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CCCCOCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273429279 1198815134 /nfs/dbraw/zinc/81/51/34/1198815134.db2.gz WKEMPTLHOAHCCG-GVDBMIGSSA-N 2 2 348.491 2.301 10 0 EEAELP CC(C)N(CC[N@H+](C)CCF)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001411197238 1198899415 /nfs/dbraw/zinc/89/94/15/1198899415.db2.gz YQVNGAGKKDSUKE-UHFFFAOYSA-N 2 2 340.443 2.022 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCF)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001411197238 1198899417 /nfs/dbraw/zinc/89/94/17/1198899417.db2.gz YQVNGAGKKDSUKE-UHFFFAOYSA-N 2 2 340.443 2.022 10 0 EEAELP C[C@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704542 1201585333 /nfs/dbraw/zinc/58/53/33/1201585333.db2.gz OKWBEDHLCFFMFD-RDTXWAMCSA-N 2 2 328.464 2.420 10 0 EEAELP C[C@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704542 1201585339 /nfs/dbraw/zinc/58/53/39/1201585339.db2.gz OKWBEDHLCFFMFD-RDTXWAMCSA-N 2 2 328.464 2.420 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC001274631587 1205105936 /nfs/dbraw/zinc/10/59/36/1205105936.db2.gz LBNLIWDORKXJPZ-XQJDBVBESA-N 2 2 334.370 2.185 10 0 EEAELP Cc1ccc(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)c(N2CCCC2)[nH+]1 ZINC001412006882 1205622344 /nfs/dbraw/zinc/62/23/44/1205622344.db2.gz VVTFNVJVRPBXJJ-INIZCTEOSA-N 2 2 334.439 2.040 10 0 EEAELP Cc1ccc(CNC(=O)CC[N@H+]2CC[C@H](F)C2)c(N2CCCC2)[nH+]1 ZINC001412006882 1205622345 /nfs/dbraw/zinc/62/23/45/1205622345.db2.gz VVTFNVJVRPBXJJ-INIZCTEOSA-N 2 2 334.439 2.040 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842483 1206159345 /nfs/dbraw/zinc/15/93/45/1206159345.db2.gz JWSHOTJPDOSNLU-VBSBHUPXSA-N 3 2 328.504 2.414 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842483 1206159347 /nfs/dbraw/zinc/15/93/47/1206159347.db2.gz JWSHOTJPDOSNLU-VBSBHUPXSA-N 3 2 328.504 2.414 10 0 EEAELP Cc1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)nn1C1CCCCC1 ZINC000926128667 1206196030 /nfs/dbraw/zinc/19/60/30/1206196030.db2.gz TZWGXMYFZGEOBH-UHFFFAOYSA-N 2 2 348.495 2.241 10 0 EEAELP CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000926255505 1206207941 /nfs/dbraw/zinc/20/79/41/1206207941.db2.gz XCZODALQRBJALS-DZGCQCFKSA-N 2 2 337.489 2.469 10 0 EEAELP CCOC(=O)c1csc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000926255505 1206207942 /nfs/dbraw/zinc/20/79/42/1206207942.db2.gz XCZODALQRBJALS-DZGCQCFKSA-N 2 2 337.489 2.469 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)c1ccccc1 ZINC000928101111 1206343602 /nfs/dbraw/zinc/34/36/02/1206343602.db2.gz WVDFPKLKPLWOCK-BZSNNMDCSA-N 2 2 347.528 2.375 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)c1ccccc1 ZINC000928101111 1206343604 /nfs/dbraw/zinc/34/36/04/1206343604.db2.gz WVDFPKLKPLWOCK-BZSNNMDCSA-N 2 2 347.528 2.375 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)c1ccccc1 ZINC000928101111 1206343606 /nfs/dbraw/zinc/34/36/06/1206343606.db2.gz WVDFPKLKPLWOCK-BZSNNMDCSA-N 2 2 347.528 2.375 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)c1ccccc1 ZINC000928101111 1206343607 /nfs/dbraw/zinc/34/36/07/1206343607.db2.gz WVDFPKLKPLWOCK-BZSNNMDCSA-N 2 2 347.528 2.375 10 0 EEAELP CC[N@H+](C[C@H](O)C1(O)CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754307 1206498362 /nfs/dbraw/zinc/49/83/62/1206498362.db2.gz MGNUCQZHGPLBGW-SFHVURJKSA-N 2 2 347.503 2.286 10 0 EEAELP CC[N@@H+](C[C@H](O)C1(O)CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754307 1206498364 /nfs/dbraw/zinc/49/83/64/1206498364.db2.gz MGNUCQZHGPLBGW-SFHVURJKSA-N 2 2 347.503 2.286 10 0 EEAELP Cn1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(Br)n1 ZINC000720624382 1217186182 /nfs/dbraw/zinc/18/61/82/1217186182.db2.gz JCDAUHODNDORPU-RWMBFGLXSA-N 2 2 327.270 2.193 10 0 EEAELP CCN1CC[C@H]([NH+]2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC001413047947 1217347500 /nfs/dbraw/zinc/34/75/00/1217347500.db2.gz SEOYMCLOAOQKNQ-JBACZVJFSA-N 2 2 341.499 2.451 10 0 EEAELP COCC(COC)[NH+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC001413048691 1218111109 /nfs/dbraw/zinc/11/11/09/1218111109.db2.gz WCXQHZFIUORAHH-WOJBJXKFSA-N 2 2 332.488 2.492 10 0 EEAELP Cc1cc(C)c(CC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000900675499 1234641720 /nfs/dbraw/zinc/64/17/20/1234641720.db2.gz SAJQYEOVRKVXII-OAHLLOKOSA-N 2 2 335.517 2.192 10 0 EEAELP Cc1cc(C)c(CC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000900675499 1234641723 /nfs/dbraw/zinc/64/17/23/1234641723.db2.gz SAJQYEOVRKVXII-OAHLLOKOSA-N 2 2 335.517 2.192 10 0 EEAELP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000900694094 1234669341 /nfs/dbraw/zinc/66/93/41/1234669341.db2.gz DKQYAGVPDVYCJU-MRXNPFEDSA-N 2 2 343.475 2.455 10 0 EEAELP CO[C@]1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCSC1 ZINC000903309213 1240225260 /nfs/dbraw/zinc/22/52/60/1240225260.db2.gz DMENDZBOYLQDHR-JQHSSLGASA-N 2 2 335.517 2.404 10 0 EEAELP CO[C@]1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CCSC1 ZINC000903309213 1240225265 /nfs/dbraw/zinc/22/52/65/1240225265.db2.gz DMENDZBOYLQDHR-JQHSSLGASA-N 2 2 335.517 2.404 10 0 EEAELP Cc1cc(=O)oc2cc(OCC[NH2+][C@H]3CC[NH2+]C34CCC4)ccc12 ZINC000903472668 1240579391 /nfs/dbraw/zinc/57/93/91/1240579391.db2.gz ULKBKZWZQNTYES-KRWDZBQOSA-N 2 2 328.412 2.354 10 0 EEAELP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2nc3c(s2)CCCC3)cnn1C ZINC000903891957 1242354945 /nfs/dbraw/zinc/35/49/45/1242354945.db2.gz DWAPIVVBOUBPAJ-AWEZNQCLSA-N 2 2 347.532 2.313 10 0 EEAELP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2nc3c(s2)CCCC3)cnn1C ZINC000903891957 1242354960 /nfs/dbraw/zinc/35/49/60/1242354960.db2.gz DWAPIVVBOUBPAJ-AWEZNQCLSA-N 2 2 347.532 2.313 10 0 EEAELP COc1cc2c(cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F)O[C@H](C)C2 ZINC000903954281 1242690371 /nfs/dbraw/zinc/69/03/71/1242690371.db2.gz CJKSSHUHRWSXRS-BXUZGUMPSA-N 2 2 326.387 2.353 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001491040287 1258596434 /nfs/dbraw/zinc/59/64/34/1258596434.db2.gz OOZQLJJPHPGHCU-BETUJISGSA-N 2 2 346.397 2.322 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@H]1CCCCO1 ZINC001490337415 1291235955 /nfs/dbraw/zinc/23/59/55/1291235955.db2.gz WWWUQAYDCOYOPB-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@H]1CCCCO1 ZINC001490337415 1291235966 /nfs/dbraw/zinc/23/59/66/1291235966.db2.gz WWWUQAYDCOYOPB-MRXNPFEDSA-N 2 2 344.459 2.345 10 0 EEAELP O=C(C[NH+]1CCCC1)NCCC[N@@H+](C/C(Cl)=C\Cl)C1CC1 ZINC001490393419 1291282949 /nfs/dbraw/zinc/28/29/49/1291282949.db2.gz GHOXWBMVQYVXEB-JLHYYAGUSA-N 2 2 334.291 2.372 10 0 EEAELP O=C(C[NH+]1CCCC1)NCCC[N@H+](C/C(Cl)=C\Cl)C1CC1 ZINC001490393419 1291282951 /nfs/dbraw/zinc/28/29/51/1291282951.db2.gz GHOXWBMVQYVXEB-JLHYYAGUSA-N 2 2 334.291 2.372 10 0 EEAELP COc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1Cn1cccn1 ZINC000854227452 1292678131 /nfs/dbraw/zinc/67/81/31/1292678131.db2.gz OUEPNXUFAZZAAD-TZGCNFNXSA-N 2 2 326.444 2.343 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C=O ZINC000855346642 1293184550 /nfs/dbraw/zinc/18/45/50/1293184550.db2.gz HTNQVDDTZHIEGF-INIZCTEOSA-N 2 2 333.476 2.118 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C=O ZINC000855346642 1293184559 /nfs/dbraw/zinc/18/45/59/1293184559.db2.gz HTNQVDDTZHIEGF-INIZCTEOSA-N 2 2 333.476 2.118 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000860030029 1294764617 /nfs/dbraw/zinc/76/46/17/1294764617.db2.gz WJZZPTBPXBTIKH-MRXNPFEDSA-N 2 2 336.476 2.049 10 0 EEAELP CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000861348608 1295354338 /nfs/dbraw/zinc/35/43/38/1295354338.db2.gz FYLSECACDIEYME-SJLPKXTDSA-N 2 2 329.400 2.138 10 0 EEAELP CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000861348608 1295354346 /nfs/dbraw/zinc/35/43/46/1295354346.db2.gz FYLSECACDIEYME-SJLPKXTDSA-N 2 2 329.400 2.138 10 0 EEAELP CCO[C@H](C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1)C[NH+](C)C ZINC000926966440 1296972683 /nfs/dbraw/zinc/97/26/83/1296972683.db2.gz WPFYHKZIYIMFDV-VQIMIIECSA-N 2 2 335.492 2.141 10 0 EEAELP Cc1nc(C[N@H+]2CCCC3(CN(C(=O)CCCC[NH+](C)C)C3)C2)co1 ZINC001276886133 1300111192 /nfs/dbraw/zinc/11/11/92/1300111192.db2.gz GPIJUSJPGMGHIE-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC3(CN(C(=O)CCCC[NH+](C)C)C3)C2)co1 ZINC001276886133 1300111195 /nfs/dbraw/zinc/11/11/95/1300111195.db2.gz GPIJUSJPGMGHIE-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP COc1ccc2c(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000842475206 1315712486 /nfs/dbraw/zinc/71/24/86/1315712486.db2.gz MNYANWQSKPLNCE-LJQANCHMSA-N 2 2 328.412 2.377 10 0 EEAELP COc1ccc2c(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc(=O)oc2c1 ZINC000842475206 1315712488 /nfs/dbraw/zinc/71/24/88/1315712488.db2.gz MNYANWQSKPLNCE-LJQANCHMSA-N 2 2 328.412 2.377 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@](C)(C[NH2+]CCCF)C3)[nH+]c12 ZINC001278561740 1317250083 /nfs/dbraw/zinc/25/00/83/1317250083.db2.gz CZORAOVHITZEKW-LJQANCHMSA-N 2 2 346.450 2.373 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@@H+]1CCCCCF ZINC001264720189 1322791735 /nfs/dbraw/zinc/79/17/35/1322791735.db2.gz FARBJCZYNUYXML-FPCVCCKLSA-N 2 2 336.455 2.242 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC[N@H+]1CCCCCF ZINC001264720189 1322791738 /nfs/dbraw/zinc/79/17/38/1322791738.db2.gz FARBJCZYNUYXML-FPCVCCKLSA-N 2 2 336.455 2.242 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)c2cccc(C[NH+](C)C)c2)no1 ZINC001265073009 1322907922 /nfs/dbraw/zinc/90/79/22/1322907922.db2.gz MJWPASKIGUFJRG-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)c2cccc(C[NH+](C)C)c2)no1 ZINC001265073009 1322907924 /nfs/dbraw/zinc/90/79/24/1322907924.db2.gz MJWPASKIGUFJRG-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP Cc1nc(C[N@H+](CCCNC(=O)C[NH+]2CCCC2)C2CC2)cs1 ZINC001265183756 1322973870 /nfs/dbraw/zinc/97/38/70/1322973870.db2.gz DXFAECRPNKGVQP-UHFFFAOYSA-N 2 2 336.505 2.018 10 0 EEAELP Cc1nc(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C2CC2)cs1 ZINC001265183756 1322973874 /nfs/dbraw/zinc/97/38/74/1322973874.db2.gz DXFAECRPNKGVQP-UHFFFAOYSA-N 2 2 336.505 2.018 10 0 EEAELP CC(C)OCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265226702 1322995774 /nfs/dbraw/zinc/99/57/74/1322995774.db2.gz IQUVWXFTKWZCMJ-IAGOWNOFSA-N 2 2 336.480 2.230 10 0 EEAELP CC(C)OCCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001265226702 1322995775 /nfs/dbraw/zinc/99/57/75/1322995775.db2.gz IQUVWXFTKWZCMJ-IAGOWNOFSA-N 2 2 336.480 2.230 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)CCCC[NH+](C)C)co1 ZINC001265655471 1323300075 /nfs/dbraw/zinc/30/00/75/1323300075.db2.gz IQQOPRMWIGRZCM-QGZVFWFLSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCCC[NH+](C)C)co1 ZINC001265655471 1323300083 /nfs/dbraw/zinc/30/00/83/1323300083.db2.gz IQQOPRMWIGRZCM-QGZVFWFLSA-N 2 2 336.480 2.186 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001265697346 1323330491 /nfs/dbraw/zinc/33/04/91/1323330491.db2.gz RMWQTQHRTSBZMK-MSOLQXFVSA-N 2 2 348.491 2.155 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001265697346 1323330497 /nfs/dbraw/zinc/33/04/97/1323330497.db2.gz RMWQTQHRTSBZMK-MSOLQXFVSA-N 2 2 348.491 2.155 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC001266070745 1323625602 /nfs/dbraw/zinc/62/56/02/1323625602.db2.gz DVMZIARGFKCRDV-IAGOWNOFSA-N 2 2 348.491 2.176 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1cc(C)on1)C1CC1 ZINC001266174466 1323742580 /nfs/dbraw/zinc/74/25/80/1323742580.db2.gz JIGHVFFCGYCZPE-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1cc(C)on1)C1CC1 ZINC001266174466 1323742587 /nfs/dbraw/zinc/74/25/87/1323742587.db2.gz JIGHVFFCGYCZPE-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](Cc1cc(C)on1)C1CC1 ZINC001266174466 1323742592 /nfs/dbraw/zinc/74/25/92/1323742592.db2.gz JIGHVFFCGYCZPE-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](Cc1cc(C)on1)C1CC1 ZINC001266174466 1323742595 /nfs/dbraw/zinc/74/25/95/1323742595.db2.gz JIGHVFFCGYCZPE-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP CCc1ccccc1C[N@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001279661257 1323972564 /nfs/dbraw/zinc/97/25/64/1323972564.db2.gz LNBZQTSIILADGD-UHFFFAOYSA-N 2 2 338.455 2.463 10 0 EEAELP CCc1ccccc1C[N@@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001279661257 1323972567 /nfs/dbraw/zinc/97/25/67/1323972567.db2.gz LNBZQTSIILADGD-UHFFFAOYSA-N 2 2 338.455 2.463 10 0 EEAELP CCCC[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CCC1 ZINC001280480510 1324247232 /nfs/dbraw/zinc/24/72/32/1324247232.db2.gz QNTXUFHCOSFQPO-MRXNPFEDSA-N 2 2 333.480 2.219 10 0 EEAELP CCCC[NH2+]C1(CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CCC1 ZINC001280480510 1324247234 /nfs/dbraw/zinc/24/72/34/1324247234.db2.gz QNTXUFHCOSFQPO-MRXNPFEDSA-N 2 2 333.480 2.219 10 0 EEAELP CC(C)COCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282157931 1325636707 /nfs/dbraw/zinc/63/67/07/1325636707.db2.gz VTKNKSKEFJDAJS-CABCVRRESA-N 2 2 332.448 2.103 10 0 EEAELP CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCc3[nH+]ccn3C)C[C@@H]21 ZINC001284085871 1326399876 /nfs/dbraw/zinc/39/98/76/1326399876.db2.gz JDMJMGHCFBHQNW-YESZJQIVSA-N 2 2 332.492 2.370 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001284375934 1326527253 /nfs/dbraw/zinc/52/72/53/1326527253.db2.gz VDJARKZBHJDYSB-TZMCWYRMSA-N 2 2 344.381 2.145 10 0 EEAELP C[C@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+][C@H](C)c1cc(F)ccc1F ZINC001492132981 1331064683 /nfs/dbraw/zinc/06/46/83/1331064683.db2.gz MPKOJPSNDABMEF-CHWSQXEVSA-N 2 2 336.386 2.407 10 0 EEAELP CC(C)CCC[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001492384145 1331203001 /nfs/dbraw/zinc/20/30/01/1331203001.db2.gz MGEPETOXSAKGLF-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CCC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001492384145 1331203002 /nfs/dbraw/zinc/20/30/02/1331203002.db2.gz MGEPETOXSAKGLF-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CCC[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001492384145 1331203006 /nfs/dbraw/zinc/20/30/06/1331203006.db2.gz MGEPETOXSAKGLF-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CCC[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001492384145 1331203008 /nfs/dbraw/zinc/20/30/08/1331203008.db2.gz MGEPETOXSAKGLF-GOSISDBHSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccsc1)C2 ZINC001492425198 1331238027 /nfs/dbraw/zinc/23/80/27/1331238027.db2.gz WZBNBCVDLCSHMS-OAHLLOKOSA-N 2 2 332.473 2.064 10 0 EEAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccsc1)C2 ZINC001492425198 1331238031 /nfs/dbraw/zinc/23/80/31/1331238031.db2.gz WZBNBCVDLCSHMS-OAHLLOKOSA-N 2 2 332.473 2.064 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]Cc1cncs1 ZINC001316681101 1331314493 /nfs/dbraw/zinc/31/44/93/1331314493.db2.gz ISDADJVELCIDGC-XJKSGUPXSA-N 2 2 347.488 2.216 10 0 EEAELP Cc1oncc1C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001316684129 1331321848 /nfs/dbraw/zinc/32/18/48/1331321848.db2.gz WIYZFMSZNXPOOY-XJKSGUPXSA-N 2 2 345.447 2.056 10 0 EEAELP COCCCCC[NH2+][C@@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001316774927 1331886760 /nfs/dbraw/zinc/88/67/60/1331886760.db2.gz WDZZBWBKIBOERA-MRXNPFEDSA-N 2 2 336.480 2.130 10 0 EEAELP CCc1cnc(C[N@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)o1 ZINC001316871725 1331941977 /nfs/dbraw/zinc/94/19/77/1331941977.db2.gz ZMSOXHBWPYYEHC-GASCZTMLSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)o1 ZINC001316871725 1331941979 /nfs/dbraw/zinc/94/19/79/1331941979.db2.gz ZMSOXHBWPYYEHC-GASCZTMLSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[NH+](C)CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)o1 ZINC001316871725 1331941981 /nfs/dbraw/zinc/94/19/81/1331941981.db2.gz ZMSOXHBWPYYEHC-GASCZTMLSA-N 2 2 336.480 2.048 10 0 EEAELP CCc1cnc(C[NH+](C)CCCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)o1 ZINC001316871725 1331941984 /nfs/dbraw/zinc/94/19/84/1331941984.db2.gz ZMSOXHBWPYYEHC-GASCZTMLSA-N 2 2 336.480 2.048 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317337524 1332184724 /nfs/dbraw/zinc/18/47/24/1332184724.db2.gz SJJPUXPHHANEEJ-NEPJUHHUSA-N 2 2 345.274 2.345 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317337524 1332184727 /nfs/dbraw/zinc/18/47/27/1332184727.db2.gz SJJPUXPHHANEEJ-NEPJUHHUSA-N 2 2 345.274 2.345 10 0 EEAELP Cc1ncsc1C[NH2+]CCC1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001318926523 1332624953 /nfs/dbraw/zinc/62/49/53/1332624953.db2.gz UZKSJIFKNHOHAS-UHFFFAOYSA-N 2 2 347.488 2.136 10 0 EEAELP O=C(NCC[NH+]1CC=CC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC001320053019 1332816415 /nfs/dbraw/zinc/81/64/15/1332816415.db2.gz JAZSZZPKJPJGNM-QGZVFWFLSA-N 2 2 342.487 2.481 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)Cc1c[nH+]c[nH]1 ZINC001320853930 1332965567 /nfs/dbraw/zinc/96/55/67/1332965567.db2.gz FUBNPYKWOOZZDT-UHFFFAOYSA-N 2 2 326.853 2.305 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C/C[NH2+]CCC2CCOCC2)c[nH+]1 ZINC001321110732 1333022162 /nfs/dbraw/zinc/02/21/62/1333022162.db2.gz NHIOBYLPWVEBRH-SNAWJCMRSA-N 2 2 348.491 2.005 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001328631825 1334491873 /nfs/dbraw/zinc/49/18/73/1334491873.db2.gz GJOUFFAAJGESKE-QZDDGCDVSA-N 2 2 337.851 2.356 10 0 EEAELP CCCC[NH2+]CC1CC(NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001328928101 1334550060 /nfs/dbraw/zinc/55/00/60/1334550060.db2.gz YXNUKOMYVGTHMX-UHFFFAOYSA-N 2 2 328.460 2.470 10 0 EEAELP C[C@@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001330853600 1334915105 /nfs/dbraw/zinc/91/51/05/1334915105.db2.gz XBDCQXWMCIVUOC-STQMWFEESA-N 2 2 346.397 2.272 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001332505077 1335837121 /nfs/dbraw/zinc/83/71/21/1335837121.db2.gz UQSQCHNMLNCHEO-KEGWNNHHSA-N 2 2 344.459 2.022 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C/C(Cl)=C/Cl ZINC001479843768 1337447556 /nfs/dbraw/zinc/44/75/56/1337447556.db2.gz MJRROYMXMUDWDW-LTBFUDJGSA-N 2 2 348.318 2.475 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C/C(Cl)=C/Cl ZINC001479843768 1337447558 /nfs/dbraw/zinc/44/75/58/1337447558.db2.gz MJRROYMXMUDWDW-LTBFUDJGSA-N 2 2 348.318 2.475 10 0 EEAELP CN(C)c1[nH+]ccc2cc(NC(=O)C[N@H+](C)[C@@H]3CCC[C@H]3O)ccc21 ZINC001434003535 1341743080 /nfs/dbraw/zinc/74/30/80/1341743080.db2.gz SXEMFTAKPWZMOI-IAGOWNOFSA-N 2 2 342.443 2.085 10 0 EEAELP CN(C)c1[nH+]ccc2cc(NC(=O)C[N@@H+](C)[C@@H]3CCC[C@H]3O)ccc21 ZINC001434003535 1341743082 /nfs/dbraw/zinc/74/30/82/1341743082.db2.gz SXEMFTAKPWZMOI-IAGOWNOFSA-N 2 2 342.443 2.085 10 0 EEAELP CCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001502496199 1342198165 /nfs/dbraw/zinc/19/81/65/1342198165.db2.gz KEFBVOHBQAHQEV-RDJZCZTQSA-N 2 2 348.491 2.271 10 0 EEAELP CCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001502496199 1342198169 /nfs/dbraw/zinc/19/81/69/1342198169.db2.gz KEFBVOHBQAHQEV-RDJZCZTQSA-N 2 2 348.491 2.271 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001567519827 1342777032 /nfs/dbraw/zinc/77/70/32/1342777032.db2.gz BOLCYJLUGXGGDW-HNNXBMFYSA-N 2 2 346.862 2.347 10 0 EEAELP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001567702583 1342816611 /nfs/dbraw/zinc/81/66/11/1342816611.db2.gz GDYMKUJKLQVPAV-SJORKVTESA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001567702583 1342816613 /nfs/dbraw/zinc/81/66/13/1342816613.db2.gz GDYMKUJKLQVPAV-SJORKVTESA-N 2 2 330.476 2.240 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001569559552 1342897020 /nfs/dbraw/zinc/89/70/20/1342897020.db2.gz 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O=C(CCc1c[nH+]c[nH]1)NC[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC001440406841 1093598229 /nfs/dbraw/zinc/59/82/29/1093598229.db2.gz UNNPARXPEGIHOJ-NWDGAFQWSA-N 2 2 332.370 2.169 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)s1 ZINC001448802104 1093878483 /nfs/dbraw/zinc/87/84/83/1093878483.db2.gz ZTBOWURFIAPXKF-NSHDSACASA-N 2 2 326.853 2.235 10 0 EEAELP C[C@@H](F)CC[NH+]1CCC([C@@H](C)NC(=O)CCc2c[nH+]cn2C)CC1 ZINC001449351569 1094310078 /nfs/dbraw/zinc/31/00/78/1094310078.db2.gz FSVNVCVSXFFKKC-HUUCEWRRSA-N 2 2 338.471 2.318 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1 ZINC001449389479 1094365495 /nfs/dbraw/zinc/36/54/95/1094365495.db2.gz WBOVXNMJKXREDU-DMKPSLHHSA-N 2 2 340.471 2.410 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C1CC([NH2+]CCc2ccccc2)C1 ZINC001449389479 1094365497 /nfs/dbraw/zinc/36/54/97/1094365497.db2.gz WBOVXNMJKXREDU-DMKPSLHHSA-N 2 2 340.471 2.410 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001441087457 1094383748 /nfs/dbraw/zinc/38/37/48/1094383748.db2.gz BTRVIFAAZLVWCB-OAHLLOKOSA-N 2 2 347.463 2.220 10 0 EEAELP O=C(NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001441200375 1094560390 /nfs/dbraw/zinc/56/03/90/1094560390.db2.gz HKKSGKNSYOQWRD-QZTJIDSGSA-N 2 2 338.455 2.130 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)o1 ZINC001442206341 1096491645 /nfs/dbraw/zinc/49/16/45/1096491645.db2.gz BATKWDGVOWNNCJ-INIZCTEOSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)c(C)o1 ZINC001442206341 1096491653 /nfs/dbraw/zinc/49/16/53/1096491653.db2.gz BATKWDGVOWNNCJ-INIZCTEOSA-N 2 2 348.491 2.056 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2cccc(F)c2F)CC[N@@H+]1C ZINC001442407710 1096728913 /nfs/dbraw/zinc/72/89/13/1096728913.db2.gz BVQJIGABRBHLIJ-GOEBONIOSA-N 2 2 339.430 2.243 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2cccc(F)c2F)CC[N@H+]1C ZINC001442407710 1096728918 /nfs/dbraw/zinc/72/89/18/1096728918.db2.gz BVQJIGABRBHLIJ-GOEBONIOSA-N 2 2 339.430 2.243 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[N@H+](C)Cc2cccc(F)c2F)CC[NH+]1C ZINC001442407710 1096728921 /nfs/dbraw/zinc/72/89/21/1096728921.db2.gz BVQJIGABRBHLIJ-GOEBONIOSA-N 2 2 339.430 2.243 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCC[N@@H+](C)Cc2cccc(F)c2F)CC[NH+]1C ZINC001442407710 1096728927 /nfs/dbraw/zinc/72/89/27/1096728927.db2.gz BVQJIGABRBHLIJ-GOEBONIOSA-N 2 2 339.430 2.243 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1cccc(C(C)C)n1 ZINC001442688281 1097053893 /nfs/dbraw/zinc/05/38/93/1097053893.db2.gz DYRDDHODQXTPBS-UHFFFAOYSA-N 2 2 343.475 2.348 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1cccc(C(C)C)n1 ZINC001442688281 1097053897 /nfs/dbraw/zinc/05/38/97/1097053897.db2.gz DYRDDHODQXTPBS-UHFFFAOYSA-N 2 2 343.475 2.348 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001442890981 1097288934 /nfs/dbraw/zinc/28/89/34/1097288934.db2.gz HWVBEFNBLZWUDD-ZIAGYGMSSA-N 2 2 340.418 2.318 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001442890981 1097288937 /nfs/dbraw/zinc/28/89/37/1097288937.db2.gz HWVBEFNBLZWUDD-ZIAGYGMSSA-N 2 2 340.418 2.318 10 0 EEAELP Cc1oncc1C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC001443148333 1097580091 /nfs/dbraw/zinc/58/00/91/1097580091.db2.gz ZUMKOFFJPSBBHQ-SFHVURJKSA-N 2 2 344.459 2.270 10 0 EEAELP Cc1oncc1C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001443148333 1097580096 /nfs/dbraw/zinc/58/00/96/1097580096.db2.gz ZUMKOFFJPSBBHQ-SFHVURJKSA-N 2 2 344.459 2.270 10 0 EEAELP C[C@@H](CC(=O)NCC[C@H]1CC[N@H+](Cc2ccns2)C1)n1cc[nH+]c1 ZINC001443250371 1097725286 /nfs/dbraw/zinc/72/52/86/1097725286.db2.gz REIMROFZNAYJNH-GJZGRUSLSA-N 2 2 347.488 2.319 10 0 EEAELP C[C@@H](CC(=O)NCC[C@H]1CC[N@@H+](Cc2ccns2)C1)n1cc[nH+]c1 ZINC001443250371 1097725288 /nfs/dbraw/zinc/72/52/88/1097725288.db2.gz REIMROFZNAYJNH-GJZGRUSLSA-N 2 2 347.488 2.319 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443352734 1097877710 /nfs/dbraw/zinc/87/77/10/1097877710.db2.gz TUYZXYRXHYHWJQ-IRXDYDNUSA-N 2 2 336.480 2.040 10 0 EEAELP CC(C)OCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443352734 1097877719 /nfs/dbraw/zinc/87/77/19/1097877719.db2.gz TUYZXYRXHYHWJQ-IRXDYDNUSA-N 2 2 336.480 2.040 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1C[C@@H](OC)C1CCC1 ZINC001479636092 1098664915 /nfs/dbraw/zinc/66/49/15/1098664915.db2.gz WCOAMZZQHWJZPB-RCCFBDPRSA-N 2 2 348.491 2.127 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1C[C@@H](OC)C1CCC1 ZINC001479636092 1098664918 /nfs/dbraw/zinc/66/49/18/1098664918.db2.gz WCOAMZZQHWJZPB-RCCFBDPRSA-N 2 2 348.491 2.127 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1C[C@@H](OC)C1CCC1 ZINC001479636092 1098664921 /nfs/dbraw/zinc/66/49/21/1098664921.db2.gz WCOAMZZQHWJZPB-RCCFBDPRSA-N 2 2 348.491 2.127 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1C[C@@H](OC)C1CCC1 ZINC001479636092 1098664927 /nfs/dbraw/zinc/66/49/27/1098664927.db2.gz WCOAMZZQHWJZPB-RCCFBDPRSA-N 2 2 348.491 2.127 10 0 EEAELP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001444188366 1098739889 /nfs/dbraw/zinc/73/98/89/1098739889.db2.gz UBFXVPSWCXATSW-KLHDSHLOSA-N 2 2 336.455 2.211 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1Cc1ccsc1 ZINC001479713422 1098793171 /nfs/dbraw/zinc/79/31/71/1098793171.db2.gz TXXYSAFTCXWMEE-HIFRSBDPSA-N 2 2 332.473 2.193 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1Cc1ccsc1 ZINC001479713422 1098793180 /nfs/dbraw/zinc/79/31/80/1098793180.db2.gz TXXYSAFTCXWMEE-HIFRSBDPSA-N 2 2 332.473 2.193 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001444380630 1098964500 /nfs/dbraw/zinc/96/45/00/1098964500.db2.gz POYQSUVDMBTEBR-ZIAGYGMSSA-N 2 2 343.475 2.142 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001444380630 1098964508 /nfs/dbraw/zinc/96/45/08/1098964508.db2.gz POYQSUVDMBTEBR-ZIAGYGMSSA-N 2 2 343.475 2.142 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1CC2(CCC2)C1 ZINC001479780633 1098966236 /nfs/dbraw/zinc/96/62/36/1098966236.db2.gz LYNLPFHBVHUTGB-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC1CC2(CCC2)C1 ZINC001479780633 1098966239 /nfs/dbraw/zinc/96/62/39/1098966239.db2.gz LYNLPFHBVHUTGB-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCCCF)C2)no1 ZINC001479905841 1099291855 /nfs/dbraw/zinc/29/18/55/1099291855.db2.gz CNFWFOKQBMZGPL-CQSZACIVSA-N 2 2 340.443 2.070 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCCCCF)C2)no1 ZINC001479905841 1099291865 /nfs/dbraw/zinc/29/18/65/1099291865.db2.gz CNFWFOKQBMZGPL-CQSZACIVSA-N 2 2 340.443 2.070 10 0 EEAELP Cc1ncsc1C[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001480049439 1099556846 /nfs/dbraw/zinc/55/68/46/1099556846.db2.gz BXQOJZXJOLGJKX-IUODEOHRSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)CCCn2cc[nH+]c2)s1 ZINC001444721785 1099592076 /nfs/dbraw/zinc/59/20/76/1099592076.db2.gz FWCZAUGUFCDBMG-CYBMUJFWSA-N 2 2 335.477 2.065 10 0 EEAELP CC(C)C[C@H](C[NH2+]C/C(Cl)=C/Cl)NC(=O)Cn1cc[nH+]c1 ZINC001444768658 1099666305 /nfs/dbraw/zinc/66/63/05/1099666305.db2.gz BBMWLNZKQHTKEB-MVXISAMASA-N 2 2 333.263 2.323 10 0 EEAELP COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH]c[nH+]3)C2)ccc1C ZINC001480208854 1099814965 /nfs/dbraw/zinc/81/49/65/1099814965.db2.gz ZYUUJIGQCMDFOV-CALCHBBNSA-N 2 2 342.443 2.096 10 0 EEAELP COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)ccc1C ZINC001480208854 1099814977 /nfs/dbraw/zinc/81/49/77/1099814977.db2.gz ZYUUJIGQCMDFOV-CALCHBBNSA-N 2 2 342.443 2.096 10 0 EEAELP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001444991059 1100122012 /nfs/dbraw/zinc/12/20/12/1100122012.db2.gz LACSZTBFFSWFTI-IAGOWNOFSA-N 2 2 326.444 2.412 10 0 EEAELP Cc1cccc(C[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001444991059 1100122014 /nfs/dbraw/zinc/12/20/14/1100122014.db2.gz LACSZTBFFSWFTI-IAGOWNOFSA-N 2 2 326.444 2.412 10 0 EEAELP C[C@@H](CC(=O)NC1CCC([NH2+]Cc2ccon2)CC1)n1cc[nH+]c1 ZINC001480408214 1100224421 /nfs/dbraw/zinc/22/44/21/1100224421.db2.gz KCAWIGHFLPHPTJ-NFOMZHRRSA-N 2 2 331.420 2.039 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]C/C=C\c1ccccc1 ZINC001480489151 1100298493 /nfs/dbraw/zinc/29/84/93/1100298493.db2.gz DLDXMTCRNPOIFL-GDOYXMMASA-N 2 2 338.455 2.253 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496242761 1100810809 /nfs/dbraw/zinc/81/08/09/1100810809.db2.gz IAAASHMTYXDBPT-KRWDZBQOSA-N 2 2 344.459 2.015 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C\Cl)CCCC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001495168691 1100842480 /nfs/dbraw/zinc/84/24/80/1100842480.db2.gz OOPGMZCWCVAALX-FCIQKIPGSA-N 2 2 336.867 2.217 10 0 EEAELP C[C@H](F)CC[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001495170372 1100844264 /nfs/dbraw/zinc/84/42/64/1100844264.db2.gz ZYGIWQUJZWKNGR-GJZGRUSLSA-N 2 2 336.455 2.212 10 0 EEAELP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CCCC1 ZINC001446487950 1100924422 /nfs/dbraw/zinc/92/44/22/1100924422.db2.gz GUYDVRDYXYOGAR-FUHWJXTLSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](NC(=O)Cn2cc[nH+]c2)C2CCCCC2)o1 ZINC001496330644 1100926181 /nfs/dbraw/zinc/92/61/81/1100926181.db2.gz AFLVSRCIDNXXHE-QGZVFWFLSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@@H]([NH2+]CCOC1CCC1)[C@@H]1CCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001496445188 1101036103 /nfs/dbraw/zinc/03/61/03/1101036103.db2.gz QLCWJFIUVKORHC-IAGOWNOFSA-N 2 2 348.491 2.059 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001496925341 1101728985 /nfs/dbraw/zinc/72/89/85/1101728985.db2.gz ULZCYPQDLDMSPT-MOPGFXCFSA-N 2 2 340.471 2.390 10 0 EEAELP COCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001447036347 1101798734 /nfs/dbraw/zinc/79/87/34/1101798734.db2.gz SFXULWKBFWNXAH-OKZBNKHCSA-N 2 2 348.491 2.040 10 0 EEAELP COCC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC(C)C)n3cc[nH+]c3)[C@@H]2C1 ZINC001447036347 1101798748 /nfs/dbraw/zinc/79/87/48/1101798748.db2.gz SFXULWKBFWNXAH-OKZBNKHCSA-N 2 2 348.491 2.040 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CCC[N@H+](CC2CCOCC2)CC1)n1cc[nH+]c1 ZINC001447299794 1102401493 /nfs/dbraw/zinc/40/14/93/1102401493.db2.gz GEGPSNDUSSBZFB-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](CC2CCOCC2)CC1)n1cc[nH+]c1 ZINC001447299794 1102401502 /nfs/dbraw/zinc/40/15/02/1102401502.db2.gz GEGPSNDUSSBZFB-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncc(CC)o2)C1 ZINC001493979436 1103252452 /nfs/dbraw/zinc/25/24/52/1103252452.db2.gz YUFLUAMELFIWLF-CVEARBPZSA-N 2 2 348.491 2.002 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC001493979436 1103252462 /nfs/dbraw/zinc/25/24/62/1103252462.db2.gz YUFLUAMELFIWLF-CVEARBPZSA-N 2 2 348.491 2.002 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(CC)o2)C1 ZINC001493979436 1103252468 /nfs/dbraw/zinc/25/24/68/1103252468.db2.gz YUFLUAMELFIWLF-CVEARBPZSA-N 2 2 348.491 2.002 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ncc(CC)o2)C1 ZINC001493979436 1103252483 /nfs/dbraw/zinc/25/24/83/1103252483.db2.gz YUFLUAMELFIWLF-CVEARBPZSA-N 2 2 348.491 2.002 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[N@H+](C)CC=C(Cl)Cl ZINC001447774695 1103295069 /nfs/dbraw/zinc/29/50/69/1103295069.db2.gz HAWQNUHLGSWUFB-ZDUSSCGKSA-N 2 2 345.274 2.433 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(Cl)Cl ZINC001447774695 1103295076 /nfs/dbraw/zinc/29/50/76/1103295076.db2.gz HAWQNUHLGSWUFB-ZDUSSCGKSA-N 2 2 345.274 2.433 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)n1 ZINC001447924016 1103610475 /nfs/dbraw/zinc/61/04/75/1103610475.db2.gz FNSVAEOLJMSMQW-GJZGRUSLSA-N 2 2 343.475 2.164 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1cscn1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001447977236 1103719861 /nfs/dbraw/zinc/71/98/61/1103719861.db2.gz LLZGKQWJBPEPOZ-UHFFFAOYSA-N 2 2 349.504 2.418 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001494387029 1103972247 /nfs/dbraw/zinc/97/22/47/1103972247.db2.gz HPQJEWFAHPWQRI-HOTGVXAUSA-N 2 2 348.491 2.014 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001448137677 1104086654 /nfs/dbraw/zinc/08/66/54/1104086654.db2.gz DIUVUONSUKJBRM-GJZGRUSLSA-N 2 2 330.432 2.089 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001448137677 1104086662 /nfs/dbraw/zinc/08/66/62/1104086662.db2.gz DIUVUONSUKJBRM-GJZGRUSLSA-N 2 2 330.432 2.089 10 0 EEAELP C[C@@H](c1ccc(Cl)cc1)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2)C1 ZINC001494638784 1104224533 /nfs/dbraw/zinc/22/45/33/1104224533.db2.gz PPZKDGGTIBQONK-ZDUSSCGKSA-N 2 2 332.835 2.346 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(C)cc1 ZINC001495011728 1104653631 /nfs/dbraw/zinc/65/36/31/1104653631.db2.gz KZGMHMONRBFIML-ROUUACIJSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001498559387 1107720075 /nfs/dbraw/zinc/72/00/75/1107720075.db2.gz YREVBNISGCKGDT-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001498559387 1107720085 /nfs/dbraw/zinc/72/00/85/1107720085.db2.gz YREVBNISGCKGDT-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001498567723 1107735473 /nfs/dbraw/zinc/73/54/73/1107735473.db2.gz KJASHIJQHYLORP-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498615868 1107815086 /nfs/dbraw/zinc/81/50/86/1107815086.db2.gz WIGXKWMFFFBHDA-QZTJIDSGSA-N 2 2 340.471 2.470 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001498779848 1108087861 /nfs/dbraw/zinc/08/78/61/1108087861.db2.gz VZXJVQAENVNFJC-MRXNPFEDSA-N 2 2 345.468 2.379 10 0 EEAELP CN(CCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1cccc[nH+]1 ZINC001455150634 1108258622 /nfs/dbraw/zinc/25/86/22/1108258622.db2.gz SJHMXZMLAFVIPT-GOSISDBHSA-N 2 2 336.455 2.237 10 0 EEAELP CN(CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1cccc[nH+]1 ZINC001455150634 1108258634 /nfs/dbraw/zinc/25/86/34/1108258634.db2.gz SJHMXZMLAFVIPT-GOSISDBHSA-N 2 2 336.455 2.237 10 0 EEAELP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001493832930 1108716479 /nfs/dbraw/zinc/71/64/79/1108716479.db2.gz UBZVDSNGTZJTQV-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[NH+](C)CCN1CC[N@H+](CCc2ccc3ccccc3c2)CC1=O ZINC001460339634 1110263282 /nfs/dbraw/zinc/26/32/82/1110263282.db2.gz NJUNLFTUEJUANM-UHFFFAOYSA-N 2 2 325.456 2.088 10 0 EEAELP C[NH+](C)CCN1CC[N@@H+](CCc2ccc3ccccc3c2)CC1=O ZINC001460339634 1110263286 /nfs/dbraw/zinc/26/32/86/1110263286.db2.gz NJUNLFTUEJUANM-UHFFFAOYSA-N 2 2 325.456 2.088 10 0 EEAELP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC001463928374 1110383411 /nfs/dbraw/zinc/38/34/11/1110383411.db2.gz ATAZTJWXPOMTHH-IAGOWNOFSA-N 2 2 330.476 2.418 10 0 EEAELP Cc1oncc1C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001479249142 1110667633 /nfs/dbraw/zinc/66/76/33/1110667633.db2.gz DZSXTXKSGLNUKT-CRAIPNDOSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1oncc1C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001479249142 1110667635 /nfs/dbraw/zinc/66/76/35/1110667635.db2.gz DZSXTXKSGLNUKT-CRAIPNDOSA-N 2 2 348.491 2.280 10 0 EEAELP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001499269177 1112209826 /nfs/dbraw/zinc/20/98/26/1112209826.db2.gz PXHJWVLWGBDCMH-APHBUQMISA-N 2 2 330.476 2.430 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC001499429811 1112282896 /nfs/dbraw/zinc/28/28/96/1112282896.db2.gz BUJJOTCYFWONME-ZDUSSCGKSA-N 2 2 340.418 2.325 10 0 EEAELP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOCC(C)C)[NH+](C)C ZINC001499554843 1112362985 /nfs/dbraw/zinc/36/29/85/1112362985.db2.gz IPWUSJXFWJNQQR-KSZLIROESA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOCC(C)C)[NH+](C)C ZINC001499554843 1112362989 /nfs/dbraw/zinc/36/29/89/1112362989.db2.gz IPWUSJXFWJNQQR-KSZLIROESA-N 2 2 339.524 2.065 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001500233593 1112692513 /nfs/dbraw/zinc/69/25/13/1112692513.db2.gz HNPWIJDQNSLLDG-QFBILLFUSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001500233593 1112692516 /nfs/dbraw/zinc/69/25/16/1112692516.db2.gz HNPWIJDQNSLLDG-QFBILLFUSA-N 2 2 332.492 2.462 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500235143 1112694038 /nfs/dbraw/zinc/69/40/38/1112694038.db2.gz POPHZQDESRVPKE-DKFQHHCZSA-N 2 2 334.464 2.287 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500235143 1112694042 /nfs/dbraw/zinc/69/40/42/1112694042.db2.gz POPHZQDESRVPKE-DKFQHHCZSA-N 2 2 334.464 2.287 10 0 EEAELP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001500235170 1112694570 /nfs/dbraw/zinc/69/45/70/1112694570.db2.gz PWEMVYACLYCZRJ-RHSMWYFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@H](C(=O)N[C@]1(C)CC[N@@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001500235170 1112694573 /nfs/dbraw/zinc/69/45/73/1112694573.db2.gz PWEMVYACLYCZRJ-RHSMWYFYSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)(C)CCC[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001500586780 1112958402 /nfs/dbraw/zinc/95/84/02/1112958402.db2.gz JVOXKCAJDAIETO-UHFFFAOYSA-N 2 2 336.480 2.034 10 0 EEAELP CC/C(C)=C/C(=O)NCC[NH+]1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC001501257800 1113265906 /nfs/dbraw/zinc/26/59/06/1113265906.db2.gz DRADIURHHGISON-WXWBBQJKSA-N 2 2 337.508 2.082 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@H+](C)Cc2cccnc2)c[nH+]1 ZINC001502346378 1113638104 /nfs/dbraw/zinc/63/81/04/1113638104.db2.gz SXGTZISIXSHDLL-UHFFFAOYSA-N 2 2 343.475 2.302 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc2cccnc2)c[nH+]1 ZINC001502346378 1113638107 /nfs/dbraw/zinc/63/81/07/1113638107.db2.gz SXGTZISIXSHDLL-UHFFFAOYSA-N 2 2 343.475 2.302 10 0 EEAELP CCc1nc(C[N@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)cs1 ZINC001505444840 1113978837 /nfs/dbraw/zinc/97/88/37/1113978837.db2.gz JGXLWHCPGHXEJJ-OAHLLOKOSA-N 2 2 338.521 2.080 10 0 EEAELP CCc1nc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)cs1 ZINC001505444840 1113978840 /nfs/dbraw/zinc/97/88/40/1113978840.db2.gz JGXLWHCPGHXEJJ-OAHLLOKOSA-N 2 2 338.521 2.080 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001505621092 1114089392 /nfs/dbraw/zinc/08/93/92/1114089392.db2.gz CLUGSIPUSKGGRB-KBPBESRZSA-N 2 2 332.423 2.473 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001505621092 1114089397 /nfs/dbraw/zinc/08/93/97/1114089397.db2.gz CLUGSIPUSKGGRB-KBPBESRZSA-N 2 2 332.423 2.473 10 0 EEAELP COCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001506741948 1114853324 /nfs/dbraw/zinc/85/33/24/1114853324.db2.gz MSPLFTBLSISBRT-INMHGKMJSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001506741948 1114853328 /nfs/dbraw/zinc/85/33/28/1114853328.db2.gz MSPLFTBLSISBRT-INMHGKMJSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001506741948 1114853335 /nfs/dbraw/zinc/85/33/35/1114853335.db2.gz MSPLFTBLSISBRT-INMHGKMJSA-N 2 2 348.491 2.157 10 0 EEAELP COCCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001506741948 1114853338 /nfs/dbraw/zinc/85/33/38/1114853338.db2.gz MSPLFTBLSISBRT-INMHGKMJSA-N 2 2 348.491 2.157 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001506959555 1115007188 /nfs/dbraw/zinc/00/71/88/1115007188.db2.gz GMGMMVBABRBNNR-HUUCEWRRSA-N 2 2 336.455 2.116 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001506959555 1115007190 /nfs/dbraw/zinc/00/71/90/1115007190.db2.gz GMGMMVBABRBNNR-HUUCEWRRSA-N 2 2 336.455 2.116 10 0 EEAELP Cc1conc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001507162769 1115142276 /nfs/dbraw/zinc/14/22/76/1115142276.db2.gz IZLVLTCARBCKKS-MRXNPFEDSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1conc1C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001507162769 1115142277 /nfs/dbraw/zinc/14/22/77/1115142277.db2.gz IZLVLTCARBCKKS-MRXNPFEDSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CCn2cc[nH+]c2)s1 ZINC001568662573 1124677552 /nfs/dbraw/zinc/67/75/52/1124677552.db2.gz VTXAJCKDUFMQHU-GFCCVEGCSA-N 2 2 335.477 2.031 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cn1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001568683268 1124695843 /nfs/dbraw/zinc/69/58/43/1124695843.db2.gz UZPHVEODXWWZCN-KGLIPLIRSA-N 2 2 333.411 2.053 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)C)o1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001568753437 1124767669 /nfs/dbraw/zinc/76/76/69/1124767669.db2.gz DAUPAJLTIQUFEQ-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)C)o1)C(=O)[C@H]1CCCC[N@H+]1C ZINC001568753437 1124767671 /nfs/dbraw/zinc/76/76/71/1124767671.db2.gz DAUPAJLTIQUFEQ-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)NCCCNc1cccc[nH+]1 ZINC000118724949 282111252 /nfs/dbraw/zinc/11/12/52/282111252.db2.gz AZSVCAJFNGKRGO-UHFFFAOYSA-N 2 2 342.443 2.254 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1F ZINC000178327998 232137507 /nfs/dbraw/zinc/13/75/07/232137507.db2.gz OXTBVPOWICQUGA-CVEARBPZSA-N 2 2 333.407 2.235 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccccc1F ZINC000178327998 232137510 /nfs/dbraw/zinc/13/75/10/232137510.db2.gz OXTBVPOWICQUGA-CVEARBPZSA-N 2 2 333.407 2.235 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)cc1 ZINC000371063832 283049360 /nfs/dbraw/zinc/04/93/60/283049360.db2.gz ISZAIKCELJPNBS-QZTJIDSGSA-N 2 2 346.450 2.061 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(F)cc1 ZINC000371063832 283049364 /nfs/dbraw/zinc/04/93/64/283049364.db2.gz ISZAIKCELJPNBS-QZTJIDSGSA-N 2 2 346.450 2.061 10 0 EEAELP CC[C@@H]1CCCC[N@@H+]1Cc1c(CC(=O)OC)[nH+]c2ccc(N)cn21 ZINC000036274785 213080463 /nfs/dbraw/zinc/08/04/63/213080463.db2.gz ZAUDVWFBFPUTIV-CQSZACIVSA-N 2 2 330.432 2.397 10 0 EEAELP CC[C@@H]1CCCC[N@H+]1Cc1c(CC(=O)OC)[nH+]c2ccc(N)cn21 ZINC000036274785 213080466 /nfs/dbraw/zinc/08/04/66/213080466.db2.gz ZAUDVWFBFPUTIV-CQSZACIVSA-N 2 2 330.432 2.397 10 0 EEAELP c1ccc(N2CCC(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423090429 240361052 /nfs/dbraw/zinc/36/10/52/240361052.db2.gz XKFJORXKXSBJQA-UXHICEINSA-N 2 2 329.488 2.260 10 0 EEAELP CCCCNC(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422945583 240304468 /nfs/dbraw/zinc/30/44/68/240304468.db2.gz UZRZZAPVEMEPLV-RBUKOAKNSA-N 2 2 345.487 2.073 10 0 EEAELP c1ccc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422909106 240287264 /nfs/dbraw/zinc/28/72/64/240287264.db2.gz ZXHNQEYCAYDIAF-RTWAWAEBSA-N 3 2 343.515 2.255 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426161013 241226966 /nfs/dbraw/zinc/22/69/66/241226966.db2.gz LJSJJIBQEFBEKD-RDJZCZTQSA-N 2 2 336.476 2.422 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000426161013 241226971 /nfs/dbraw/zinc/22/69/71/241226971.db2.gz LJSJJIBQEFBEKD-RDJZCZTQSA-N 2 2 336.476 2.422 10 0 EEAELP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000237974044 242880885 /nfs/dbraw/zinc/88/08/85/242880885.db2.gz RRXBRAYDTIKNAS-FHWLQOOXSA-N 2 2 327.472 2.252 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000271739228 256239658 /nfs/dbraw/zinc/23/96/58/256239658.db2.gz BTVYJRWOCUKQIX-NVXWUHKLSA-N 2 2 327.432 2.007 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000271739228 256239659 /nfs/dbraw/zinc/23/96/59/256239659.db2.gz BTVYJRWOCUKQIX-NVXWUHKLSA-N 2 2 327.432 2.007 10 0 EEAELP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000328623659 258034960 /nfs/dbraw/zinc/03/49/60/258034960.db2.gz CBBDURUFESYXDZ-JFIYKMOQSA-N 2 2 348.491 2.411 10 0 EEAELP Cc1n[nH]c(C)c1C[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328648068 258021176 /nfs/dbraw/zinc/02/11/76/258021176.db2.gz UJIFLFBWCNZOMT-MAUKXSAKSA-N 2 2 330.480 2.275 10 0 EEAELP Cc1n[nH]c(C)c1C[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328648068 258021177 /nfs/dbraw/zinc/02/11/77/258021177.db2.gz UJIFLFBWCNZOMT-MAUKXSAKSA-N 2 2 330.480 2.275 10 0 EEAELP Cc1n[nH]c(C)c1C[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328648068 258021179 /nfs/dbraw/zinc/02/11/79/258021179.db2.gz UJIFLFBWCNZOMT-MAUKXSAKSA-N 2 2 330.480 2.275 10 0 EEAELP Cc1n[nH]c(C)c1C[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328648068 258021180 /nfs/dbraw/zinc/02/11/80/258021180.db2.gz UJIFLFBWCNZOMT-MAUKXSAKSA-N 2 2 330.480 2.275 10 0 EEAELP CSCCCC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172751092 152116025 /nfs/dbraw/zinc/11/60/25/152116025.db2.gz RIOZKZOCZYADOT-UHFFFAOYSA-N 2 2 327.538 2.196 10 0 EEAELP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263081304 152371407 /nfs/dbraw/zinc/37/14/07/152371407.db2.gz XNZIADRQDWVORA-CQSZACIVSA-N 2 2 341.427 2.171 10 0 EEAELP CC(=O)Nc1cccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000101726939 159256266 /nfs/dbraw/zinc/25/62/66/159256266.db2.gz NVFPWZPHLROLQX-OAHLLOKOSA-N 2 2 331.460 2.330 10 0 EEAELP CC(=O)Nc1cccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000101726939 159256267 /nfs/dbraw/zinc/25/62/67/159256267.db2.gz NVFPWZPHLROLQX-OAHLLOKOSA-N 2 2 331.460 2.330 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000245976933 160259026 /nfs/dbraw/zinc/25/90/26/160259026.db2.gz XERLSZTWUUMNSW-ZBFHGGJFSA-N 2 2 344.463 2.461 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000245976933 160259027 /nfs/dbraw/zinc/25/90/27/160259027.db2.gz XERLSZTWUUMNSW-ZBFHGGJFSA-N 2 2 344.463 2.461 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)cn21 ZINC000246179705 160266240 /nfs/dbraw/zinc/26/62/40/160266240.db2.gz LSVVHWCHYTZQJK-GOEBONIOSA-N 2 2 329.448 2.267 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cn21 ZINC000246179705 160266241 /nfs/dbraw/zinc/26/62/41/160266241.db2.gz LSVVHWCHYTZQJK-GOEBONIOSA-N 2 2 329.448 2.267 10 0 EEAELP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cccnc2)n1 ZINC000246903207 160300445 /nfs/dbraw/zinc/30/04/45/160300445.db2.gz ULPWLLDKJNCTEY-FUHWJXTLSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2cccnc2)n1 ZINC000246903207 160300446 /nfs/dbraw/zinc/30/04/46/160300446.db2.gz ULPWLLDKJNCTEY-FUHWJXTLSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2cccnc2)n1 ZINC000246903207 160300447 /nfs/dbraw/zinc/30/04/47/160300447.db2.gz ULPWLLDKJNCTEY-FUHWJXTLSA-N 2 2 325.460 2.398 10 0 EEAELP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2cccnc2)n1 ZINC000246903207 160300448 /nfs/dbraw/zinc/30/04/48/160300448.db2.gz ULPWLLDKJNCTEY-FUHWJXTLSA-N 2 2 325.460 2.398 10 0 EEAELP COCc1cnc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000342617299 161078458 /nfs/dbraw/zinc/07/84/58/161078458.db2.gz ABHKWGLMNWEZOL-UHFFFAOYSA-N 2 2 339.505 2.224 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CO)c2sccc2C)CC1 ZINC000342790200 161090922 /nfs/dbraw/zinc/09/09/22/161090922.db2.gz ZSZYRPJKTWKKPI-HNNXBMFYSA-N 2 2 340.489 2.097 10 0 EEAELP CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000352113446 162072122 /nfs/dbraw/zinc/07/21/22/162072122.db2.gz IYPDBQHXCGQKOR-MSOLQXFVSA-N 2 2 347.484 2.377 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1S(C)(=O)=O ZINC000368101443 166050586 /nfs/dbraw/zinc/05/05/86/166050586.db2.gz KHXIUHFKPHOXAS-WCQYABFASA-N 2 2 349.456 2.030 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1S(C)(=O)=O ZINC000368101443 166050588 /nfs/dbraw/zinc/05/05/88/166050588.db2.gz KHXIUHFKPHOXAS-WCQYABFASA-N 2 2 349.456 2.030 10 0 EEAELP C[C@@H]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000370043756 166383775 /nfs/dbraw/zinc/38/37/75/166383775.db2.gz VNRRHKHQJRNFBV-CPFNUKBASA-N 2 2 345.491 2.493 10 0 EEAELP O=C(C1CC[NH+](CC(F)F)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000376662737 167369969 /nfs/dbraw/zinc/36/99/69/167369969.db2.gz ZZIMIFZHOHOKAC-INIZCTEOSA-N 2 2 343.462 2.440 10 0 EEAELP Cc1nc2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000280787247 269389875 /nfs/dbraw/zinc/38/98/75/269389875.db2.gz FIAPIAHDFNZQBH-UHFFFAOYSA-N 2 2 344.459 2.234 10 0 EEAELP Cc1nc2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2o1 ZINC000280787247 269389877 /nfs/dbraw/zinc/38/98/77/269389877.db2.gz FIAPIAHDFNZQBH-UHFFFAOYSA-N 2 2 344.459 2.234 10 0 EEAELP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000277570837 274311851 /nfs/dbraw/zinc/31/18/51/274311851.db2.gz QPIZOOKDWGAMNX-INIZCTEOSA-N 2 2 325.416 2.014 10 0 EEAELP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000277570837 274311853 /nfs/dbraw/zinc/31/18/53/274311853.db2.gz QPIZOOKDWGAMNX-INIZCTEOSA-N 2 2 325.416 2.014 10 0 EEAELP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000290573118 275219294 /nfs/dbraw/zinc/21/92/94/275219294.db2.gz BHCNNSIJWDBBSR-OAHLLOKOSA-N 2 2 344.463 2.187 10 0 EEAELP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000290573118 275219295 /nfs/dbraw/zinc/21/92/95/275219295.db2.gz BHCNNSIJWDBBSR-OAHLLOKOSA-N 2 2 344.463 2.187 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2c[nH+]ccc2-n2cccn2)C1 ZINC000291902475 275351595 /nfs/dbraw/zinc/35/15/95/275351595.db2.gz XGLICDDNXDDWRK-QGZVFWFLSA-N 2 2 331.395 2.418 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2c[nH+]ccc2-n2cccn2)C1 ZINC000291902475 275351596 /nfs/dbraw/zinc/35/15/96/275351596.db2.gz XGLICDDNXDDWRK-QGZVFWFLSA-N 2 2 331.395 2.418 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)c2[nH+]ccn21 ZINC000456375855 297439532 /nfs/dbraw/zinc/43/95/32/297439532.db2.gz KIOXGSZKFAGNOF-HIFRSBDPSA-N 2 2 328.416 2.259 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261929511 302667271 /nfs/dbraw/zinc/66/72/71/302667271.db2.gz LNGFCVVCWZXEJW-NUJGCVRESA-N 3 2 328.460 2.091 10 0 EEAELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC2(CC[NH2+]2)CC1 ZINC000333275637 312122914 /nfs/dbraw/zinc/12/29/14/312122914.db2.gz LHCJKDRWZWFEAA-UHFFFAOYSA-N 2 2 349.504 2.489 10 0 EEAELP COc1ccc(CN(C(=O)C[NH+]2CCC3(CC[NH2+]3)CC2)C2CC2)cc1 ZINC000422640724 314298426 /nfs/dbraw/zinc/29/84/26/314298426.db2.gz VYDXEYMJSOLOQN-UHFFFAOYSA-N 2 2 343.471 2.014 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000527775375 317261052 /nfs/dbraw/zinc/26/10/52/317261052.db2.gz SUHKGMODUTUAJE-KVSKMBFKSA-N 2 2 329.488 2.484 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000527775375 317261056 /nfs/dbraw/zinc/26/10/56/317261056.db2.gz SUHKGMODUTUAJE-KVSKMBFKSA-N 2 2 329.488 2.484 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)CCc3[nH]cc[nH+]3)CC2)s1 ZINC000548814664 318413875 /nfs/dbraw/zinc/41/38/75/318413875.db2.gz GQPVUFIPRHIDIN-UHFFFAOYSA-N 2 2 332.473 2.311 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000564323294 319078052 /nfs/dbraw/zinc/07/80/52/319078052.db2.gz HVVLOKXTTOHUTQ-APWZRJJASA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000564323294 319078056 /nfs/dbraw/zinc/07/80/56/319078056.db2.gz HVVLOKXTTOHUTQ-APWZRJJASA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000564323294 319078058 /nfs/dbraw/zinc/07/80/58/319078058.db2.gz HVVLOKXTTOHUTQ-APWZRJJASA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000564323294 319078060 /nfs/dbraw/zinc/07/80/60/319078060.db2.gz HVVLOKXTTOHUTQ-APWZRJJASA-N 3 2 325.460 2.492 10 0 EEAELP Cc1cccc(N2CC[NH+](CCC[NH2+]C[C@@H](O)C(F)(F)F)CC2)c1 ZINC000564844310 319117153 /nfs/dbraw/zinc/11/71/53/319117153.db2.gz JZKIYHZAQFZBCX-MRXNPFEDSA-N 2 2 345.409 2.020 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC3CCN(c4cccc[nH+]4)CC3)ccn12 ZINC000578377572 320311132 /nfs/dbraw/zinc/31/11/32/320311132.db2.gz SORYWLXYKMFAQR-UHFFFAOYSA-N 2 2 335.411 2.437 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000182791897 323388031 /nfs/dbraw/zinc/38/80/31/323388031.db2.gz OXJVWWOKQDXROS-PBHICJAKSA-N 2 2 328.403 2.353 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000182791897 323388036 /nfs/dbraw/zinc/38/80/36/323388036.db2.gz OXJVWWOKQDXROS-PBHICJAKSA-N 2 2 328.403 2.353 10 0 EEAELP O=C(C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC1(c2ccccc2)CCC1 ZINC000581429888 324252684 /nfs/dbraw/zinc/25/26/84/324252684.db2.gz NNFYNPORQPLSHH-IBGZPJMESA-N 2 2 327.472 2.258 10 0 EEAELP O=C(C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC1(c2ccccc2)CCC1 ZINC000581429888 324252686 /nfs/dbraw/zinc/25/26/86/324252686.db2.gz NNFYNPORQPLSHH-IBGZPJMESA-N 2 2 327.472 2.258 10 0 EEAELP CCc1cc(NCc2ccc(N3CC[NH+](CC)CC3)nc2)nc[nH+]1 ZINC000603385997 450274061 /nfs/dbraw/zinc/27/40/61/450274061.db2.gz XHTOOSDUEMPNBH-UHFFFAOYSA-N 2 2 326.448 2.188 10 0 EEAELP Cc1nc(NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631037356 451545875 /nfs/dbraw/zinc/54/58/75/451545875.db2.gz FDDWQQDOFNPIMN-AWEZNQCLSA-N 2 2 332.839 2.087 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000339154772 465112093 /nfs/dbraw/zinc/11/20/93/465112093.db2.gz MBPWVIZNONJMMM-GOSISDBHSA-N 2 2 329.419 2.255 10 0 EEAELP CN(C(=O)Cc1ccon1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000339168728 465121920 /nfs/dbraw/zinc/12/19/20/465121920.db2.gz FEZUSUDBSYCAEU-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP CN(C(=O)Cc1ccon1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000339168728 465121923 /nfs/dbraw/zinc/12/19/23/465121923.db2.gz FEZUSUDBSYCAEU-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000578864913 468271263 /nfs/dbraw/zinc/27/12/63/468271263.db2.gz YXPXQHJGRRSOHG-RDJZCZTQSA-N 2 2 325.403 2.214 10 0 EEAELP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000578864913 468271267 /nfs/dbraw/zinc/27/12/67/468271267.db2.gz YXPXQHJGRRSOHG-RDJZCZTQSA-N 2 2 325.403 2.214 10 0 EEAELP O=C(NCCCC[NH+]1CCCC1)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046740634 462700160 /nfs/dbraw/zinc/70/01/60/462700160.db2.gz GVCRUJVUSSBNCU-UHFFFAOYSA-N 2 2 345.491 2.226 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2OC)CC1 ZINC000047887155 462833469 /nfs/dbraw/zinc/83/34/69/462833469.db2.gz OFGSFHOQUIQIRI-OAHLLOKOSA-N 2 2 333.476 2.289 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2OC)CC1 ZINC000047887155 462833474 /nfs/dbraw/zinc/83/34/74/462833474.db2.gz OFGSFHOQUIQIRI-OAHLLOKOSA-N 2 2 333.476 2.289 10 0 EEAELP C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)C(C)(C)C[NH+](C)C ZINC000120616223 463018745 /nfs/dbraw/zinc/01/87/45/463018745.db2.gz IFEQTNLNNBEFCV-HOTGVXAUSA-N 2 2 349.523 2.361 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(COC)c2)[C@H](C)C1 ZINC000079461212 463217308 /nfs/dbraw/zinc/21/73/08/463217308.db2.gz RDDAVMAKUANQHF-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cccc(COC)c2)[C@H](C)C1 ZINC000079461212 463217312 /nfs/dbraw/zinc/21/73/12/463217312.db2.gz RDDAVMAKUANQHF-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cccc(COC)c2)[C@H](C)C1 ZINC000079461212 463217318 /nfs/dbraw/zinc/21/73/18/463217318.db2.gz RDDAVMAKUANQHF-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(COC)c2)[C@H](C)C1 ZINC000079461212 463217322 /nfs/dbraw/zinc/21/73/22/463217322.db2.gz RDDAVMAKUANQHF-VQIMIIECSA-N 2 2 347.503 2.111 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000123331147 463332675 /nfs/dbraw/zinc/33/26/75/463332675.db2.gz DNTTXOOCRUISNZ-BFYDXBDKSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)N[C@@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000123331147 463332677 /nfs/dbraw/zinc/33/26/77/463332677.db2.gz DNTTXOOCRUISNZ-BFYDXBDKSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)CC[NH+]1C ZINC000123331147 463332682 /nfs/dbraw/zinc/33/26/82/463332682.db2.gz DNTTXOOCRUISNZ-BFYDXBDKSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)CC[NH+]1C ZINC000123331147 463332685 /nfs/dbraw/zinc/33/26/85/463332685.db2.gz DNTTXOOCRUISNZ-BFYDXBDKSA-N 2 2 331.460 2.041 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCCc2ccccc2)[C@H](C)C1 ZINC000081095074 463394458 /nfs/dbraw/zinc/39/44/58/463394458.db2.gz ZSQNTUZTQLEUMD-MJGOQNOKSA-N 2 2 331.504 2.398 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCCc2ccccc2)[C@H](C)C1 ZINC000081095074 463394464 /nfs/dbraw/zinc/39/44/64/463394464.db2.gz ZSQNTUZTQLEUMD-MJGOQNOKSA-N 2 2 331.504 2.398 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCCc2ccccc2)[C@H](C)C1 ZINC000081095074 463394469 /nfs/dbraw/zinc/39/44/69/463394469.db2.gz ZSQNTUZTQLEUMD-MJGOQNOKSA-N 2 2 331.504 2.398 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCCc2ccccc2)[C@H](C)C1 ZINC000081095074 463394472 /nfs/dbraw/zinc/39/44/72/463394472.db2.gz ZSQNTUZTQLEUMD-MJGOQNOKSA-N 2 2 331.504 2.398 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccnc2Cl)nc[nH+]1 ZINC000105797889 463465831 /nfs/dbraw/zinc/46/58/31/463465831.db2.gz XLGIWMYOKMKOLX-CYBMUJFWSA-N 2 2 332.839 2.325 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000151286592 463506594 /nfs/dbraw/zinc/50/65/94/463506594.db2.gz IFOOKFMWPOHXKO-DOTOQJQBSA-N 2 2 334.460 2.345 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000151446305 463532028 /nfs/dbraw/zinc/53/20/28/463532028.db2.gz JHNALMMZXKINRD-QGZVFWFLSA-N 2 2 343.475 2.296 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000151446305 463532037 /nfs/dbraw/zinc/53/20/37/463532037.db2.gz JHNALMMZXKINRD-QGZVFWFLSA-N 2 2 343.475 2.296 10 0 EEAELP CN(C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)[C@H]1CCCc2ccccc21 ZINC000193650770 463724247 /nfs/dbraw/zinc/72/42/47/463724247.db2.gz HJFAUKBXTZNPQL-SCTDSRPQSA-N 2 2 327.472 2.016 10 0 EEAELP CN(C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)[C@H]1CCCc2ccccc21 ZINC000193650770 463724255 /nfs/dbraw/zinc/72/42/55/463724255.db2.gz HJFAUKBXTZNPQL-SCTDSRPQSA-N 2 2 327.472 2.016 10 0 EEAELP CN(C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)[C@H]1CCCc2ccccc21 ZINC000193650770 463724261 /nfs/dbraw/zinc/72/42/61/463724261.db2.gz HJFAUKBXTZNPQL-SCTDSRPQSA-N 2 2 327.472 2.016 10 0 EEAELP CN(C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)[C@H]1CCCc2ccccc21 ZINC000193650770 463724264 /nfs/dbraw/zinc/72/42/64/463724264.db2.gz HJFAUKBXTZNPQL-SCTDSRPQSA-N 2 2 327.472 2.016 10 0 EEAELP CCC1(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CC1 ZINC000177571717 463739793 /nfs/dbraw/zinc/73/97/93/463739793.db2.gz WIGZYPUGASKSSN-UHFFFAOYSA-N 2 2 336.524 2.426 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261929499 463903054 /nfs/dbraw/zinc/90/30/54/463903054.db2.gz LNGFCVVCWZXEJW-JFIYKMOQSA-N 3 2 328.460 2.091 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CN1Cc1ccccc1 ZINC000261964522 463912348 /nfs/dbraw/zinc/91/23/48/463912348.db2.gz PYPYOMWCBKELFW-RQSWOZRGSA-N 2 2 343.515 2.396 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262416197 464021635 /nfs/dbraw/zinc/02/16/35/464021635.db2.gz PVTMIOKEDLBVRO-RDJZCZTQSA-N 2 2 331.460 2.154 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc[nH]c3C3CC3)CC2)CC1 ZINC000283937145 464049284 /nfs/dbraw/zinc/04/92/84/464049284.db2.gz MQGSOFNCUXAQEN-UHFFFAOYSA-N 2 2 330.476 2.181 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnnn2Cc2ccccc2)[C@@H](C)C1 ZINC000292665383 464303760 /nfs/dbraw/zinc/30/37/60/464303760.db2.gz YZNCUGKISBIKLG-LPHOPBHVSA-N 2 2 327.476 2.489 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnnn2Cc2ccccc2)[C@@H](C)C1 ZINC000292665383 464303765 /nfs/dbraw/zinc/30/37/65/464303765.db2.gz YZNCUGKISBIKLG-LPHOPBHVSA-N 2 2 327.476 2.489 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnnn2Cc2ccccc2)[C@@H](C)C1 ZINC000292665383 464303767 /nfs/dbraw/zinc/30/37/67/464303767.db2.gz YZNCUGKISBIKLG-LPHOPBHVSA-N 2 2 327.476 2.489 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnnn2Cc2ccccc2)[C@@H](C)C1 ZINC000292665383 464303772 /nfs/dbraw/zinc/30/37/72/464303772.db2.gz YZNCUGKISBIKLG-LPHOPBHVSA-N 2 2 327.476 2.489 10 0 EEAELP CCOCC[N@@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000174736536 464445493 /nfs/dbraw/zinc/44/54/93/464445493.db2.gz GHBSTSTYCMEKGS-IRXDYDNUSA-N 2 2 347.507 2.260 10 0 EEAELP CCOCC[N@H+]1CCN(c2cc(N3CCC[C@H](C)C3)[nH+]cn2)C[C@@H]1C ZINC000174736536 464445497 /nfs/dbraw/zinc/44/54/97/464445497.db2.gz GHBSTSTYCMEKGS-IRXDYDNUSA-N 2 2 347.507 2.260 10 0 EEAELP COC(=O)c1sccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265536310 464595110 /nfs/dbraw/zinc/59/51/10/464595110.db2.gz WAHOWLKEXCHVMY-UHFFFAOYSA-N 2 2 348.428 2.076 10 0 EEAELP CCc1nc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])sc1C(C)(C)C ZINC000579810472 468415181 /nfs/dbraw/zinc/41/51/81/468415181.db2.gz MWRSOQPOAWWZNL-LLVKDONJSA-N 2 2 339.509 2.110 10 0 EEAELP CCc1nc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])sc1C(C)(C)C ZINC000579810472 468415185 /nfs/dbraw/zinc/41/51/85/468415185.db2.gz MWRSOQPOAWWZNL-LLVKDONJSA-N 2 2 339.509 2.110 10 0 EEAELP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266787609 464821902 /nfs/dbraw/zinc/82/19/02/464821902.db2.gz WLHROEMUYYEIGW-CQSZACIVSA-N 2 2 342.443 2.475 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCCc2[nH+]ccn21 ZINC000352153865 465479845 /nfs/dbraw/zinc/47/98/45/465479845.db2.gz KMQFEANFEJHFTO-CYBMUJFWSA-N 2 2 329.791 2.378 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)NCCC3(C[NH3+])CC3)cn2c1 ZINC000593915007 468431655 /nfs/dbraw/zinc/43/16/55/468431655.db2.gz SSZFJRDSLQTCRN-UHFFFAOYSA-N 2 2 332.473 2.121 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)CC[NH+]1CCCC1 ZINC000348269161 465523017 /nfs/dbraw/zinc/52/30/17/465523017.db2.gz FECFNXSQZWTQQM-HNNXBMFYSA-N 2 2 341.459 2.431 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)NC[C@H](C)Cn1cc[nH+]c1 ZINC000356818722 465557963 /nfs/dbraw/zinc/55/79/63/465557963.db2.gz BOESHPNRNNMVNE-AWEZNQCLSA-N 2 2 325.416 2.384 10 0 EEAELP Cc1cc[nH+]cc1CCCNc1ccc2c(c1)C[N@@H+](CC(N)=O)CC2 ZINC000348369437 465570320 /nfs/dbraw/zinc/57/03/20/465570320.db2.gz FZMWKBRGOVLHTJ-UHFFFAOYSA-N 2 2 338.455 2.278 10 0 EEAELP Cc1cc[nH+]cc1CCCNc1ccc2c(c1)C[N@H+](CC(N)=O)CC2 ZINC000348369437 465570327 /nfs/dbraw/zinc/57/03/27/465570327.db2.gz FZMWKBRGOVLHTJ-UHFFFAOYSA-N 2 2 338.455 2.278 10 0 EEAELP CCn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000366287661 465634110 /nfs/dbraw/zinc/63/41/10/465634110.db2.gz UEMVWHAWOZLIPV-FGTMMUONSA-N 2 2 325.460 2.298 10 0 EEAELP CCn1ncnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000366287661 465634118 /nfs/dbraw/zinc/63/41/18/465634118.db2.gz UEMVWHAWOZLIPV-FGTMMUONSA-N 2 2 325.460 2.298 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000371320301 465711366 /nfs/dbraw/zinc/71/13/66/465711366.db2.gz BERSDSFZPXCPIH-KDOFPFPSSA-N 2 2 331.460 2.170 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000344632763 465736847 /nfs/dbraw/zinc/73/68/47/465736847.db2.gz UNFLYEMDCYKWOG-CABZTGNLSA-N 2 2 327.222 2.218 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000344632763 465736851 /nfs/dbraw/zinc/73/68/51/465736851.db2.gz UNFLYEMDCYKWOG-CABZTGNLSA-N 2 2 327.222 2.218 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000366534768 465787819 /nfs/dbraw/zinc/78/78/19/465787819.db2.gz LVSVGTXNGZNVID-KUHUBIRLSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000366534768 465787827 /nfs/dbraw/zinc/78/78/27/465787827.db2.gz LVSVGTXNGZNVID-KUHUBIRLSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000366534768 465787831 /nfs/dbraw/zinc/78/78/31/465787831.db2.gz LVSVGTXNGZNVID-KUHUBIRLSA-N 2 2 347.459 2.058 10 0 EEAELP COc1ccc(NC(=O)[C@@H](C)[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000366534768 465787836 /nfs/dbraw/zinc/78/78/36/465787836.db2.gz LVSVGTXNGZNVID-KUHUBIRLSA-N 2 2 347.459 2.058 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000366557371 465799916 /nfs/dbraw/zinc/79/99/16/465799916.db2.gz IMKHJPGESOAXIU-GOSISDBHSA-N 2 2 335.879 2.026 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000366557371 465799926 /nfs/dbraw/zinc/79/99/26/465799926.db2.gz IMKHJPGESOAXIU-GOSISDBHSA-N 2 2 335.879 2.026 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000366557371 465799933 /nfs/dbraw/zinc/79/99/33/465799933.db2.gz IMKHJPGESOAXIU-GOSISDBHSA-N 2 2 335.879 2.026 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000366557371 465799938 /nfs/dbraw/zinc/79/99/38/465799938.db2.gz IMKHJPGESOAXIU-GOSISDBHSA-N 2 2 335.879 2.026 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000300689694 465891175 /nfs/dbraw/zinc/89/11/75/465891175.db2.gz ISCWZJLCUHPTOX-STQMWFEESA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000300689694 465891176 /nfs/dbraw/zinc/89/11/76/465891176.db2.gz ISCWZJLCUHPTOX-STQMWFEESA-N 2 2 333.259 2.417 10 0 EEAELP O=S1(=O)CCC(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000362737675 465988920 /nfs/dbraw/zinc/98/89/20/465988920.db2.gz RICAZHAXQLWMJL-GOSISDBHSA-N 2 2 342.549 2.399 10 0 EEAELP O=S1(=O)CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000362737675 465988926 /nfs/dbraw/zinc/98/89/26/465988926.db2.gz RICAZHAXQLWMJL-GOSISDBHSA-N 2 2 342.549 2.399 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)cc[nH+]1 ZINC000353750013 466115805 /nfs/dbraw/zinc/11/58/05/466115805.db2.gz XOCKUBWFJWWRNI-UHFFFAOYSA-N 2 2 337.471 2.354 10 0 EEAELP CC[C@H](O)C[NH+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302679218 466164624 /nfs/dbraw/zinc/16/46/24/466164624.db2.gz VVNBLSGDADDKMT-HNNXBMFYSA-N 2 2 329.444 2.445 10 0 EEAELP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357815646 466235027 /nfs/dbraw/zinc/23/50/27/466235027.db2.gz LKLODKHWAFQEFW-INIZCTEOSA-N 2 2 347.507 2.470 10 0 EEAELP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357815646 466235037 /nfs/dbraw/zinc/23/50/37/466235037.db2.gz LKLODKHWAFQEFW-INIZCTEOSA-N 2 2 347.507 2.470 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1C ZINC000361750474 466257395 /nfs/dbraw/zinc/25/73/95/466257395.db2.gz NTDMWXYIEULDTB-HOCLYGCPSA-N 2 2 333.480 2.162 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1C ZINC000361750474 466257401 /nfs/dbraw/zinc/25/74/01/466257401.db2.gz NTDMWXYIEULDTB-HOCLYGCPSA-N 2 2 333.480 2.162 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC4(C3)CCCOC4)c2cc1C ZINC000367490024 466373967 /nfs/dbraw/zinc/37/39/67/466373967.db2.gz MYNPJGKDAVDGOJ-MRXNPFEDSA-N 2 2 329.444 2.126 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)c1 ZINC000313285433 466540074 /nfs/dbraw/zinc/54/00/74/466540074.db2.gz TVAMIHJTVAUBIK-GFCCVEGCSA-N 2 2 344.242 2.299 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000423494965 466758191 /nfs/dbraw/zinc/75/81/91/466758191.db2.gz SYTNVQHBKKXZNN-XLIONFOSSA-N 3 2 331.504 2.050 10 0 EEAELP OC[C@H]1CCCN(c2cc(NC3CC([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000373671517 466883198 /nfs/dbraw/zinc/88/31/98/466883198.db2.gz KOYIKTBWXMBYGY-GTPINHCMSA-N 2 2 345.491 2.114 10 0 EEAELP OC[C@H]1CCCN(c2cc(NC3CC([NH+]4CCCCC4)C3)[nH+]cn2)C1 ZINC000373671517 466883204 /nfs/dbraw/zinc/88/32/04/466883204.db2.gz KOYIKTBWXMBYGY-GTPINHCMSA-N 2 2 345.491 2.114 10 0 EEAELP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000366107630 467061410 /nfs/dbraw/zinc/06/14/10/467061410.db2.gz UYQVYNOXNPBEDQ-HNNXBMFYSA-N 2 2 333.480 2.030 10 0 EEAELP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000366107630 467061415 /nfs/dbraw/zinc/06/14/15/467061415.db2.gz UYQVYNOXNPBEDQ-HNNXBMFYSA-N 2 2 333.480 2.030 10 0 EEAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418593376 467132987 /nfs/dbraw/zinc/13/29/87/467132987.db2.gz MCQJQNVYMKXFLK-DOTOQJQBSA-N 2 2 333.480 2.083 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000413588150 467273096 /nfs/dbraw/zinc/27/30/96/467273096.db2.gz NVOZYEPKKKUMOR-MRXNPFEDSA-N 2 2 341.459 2.319 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000413588150 467273099 /nfs/dbraw/zinc/27/30/99/467273099.db2.gz NVOZYEPKKKUMOR-MRXNPFEDSA-N 2 2 341.459 2.319 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429038846 467295497 /nfs/dbraw/zinc/29/54/97/467295497.db2.gz GNTJGFOOHPEWDH-PXNSSMCTSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429038846 467295498 /nfs/dbraw/zinc/29/54/98/467295498.db2.gz GNTJGFOOHPEWDH-PXNSSMCTSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429038846 467295505 /nfs/dbraw/zinc/29/55/05/467295505.db2.gz GNTJGFOOHPEWDH-PXNSSMCTSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429038846 467295510 /nfs/dbraw/zinc/29/55/10/467295510.db2.gz GNTJGFOOHPEWDH-PXNSSMCTSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1cc(NCCC[NH2+]Cc2cccnc2)nc(-c2ccncc2)[nH+]1 ZINC000420191010 467318689 /nfs/dbraw/zinc/31/86/89/467318689.db2.gz WIMJSMPSAXHBTM-UHFFFAOYSA-N 2 2 334.427 2.256 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c(O)c(OC)c2)C1 ZINC000389295059 467398954 /nfs/dbraw/zinc/39/89/54/467398954.db2.gz YLMAYJNXFHHXME-LLVKDONJSA-N 2 2 329.238 2.347 10 0 EEAELP Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)nc(N)[nH+]1 ZINC000391011661 467418149 /nfs/dbraw/zinc/41/81/49/467418149.db2.gz XHJXKBCMWQMLEJ-OAHLLOKOSA-N 2 2 326.448 2.475 10 0 EEAELP Cc1nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)nc(N)[nH+]1 ZINC000391011661 467418154 /nfs/dbraw/zinc/41/81/54/467418154.db2.gz XHJXKBCMWQMLEJ-OAHLLOKOSA-N 2 2 326.448 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)[nH+]1 ZINC000391011661 467418158 /nfs/dbraw/zinc/41/81/58/467418158.db2.gz XHJXKBCMWQMLEJ-OAHLLOKOSA-N 2 2 326.448 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH+]1 ZINC000391011661 467418163 /nfs/dbraw/zinc/41/81/63/467418163.db2.gz XHJXKBCMWQMLEJ-OAHLLOKOSA-N 2 2 326.448 2.475 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC000391954287 467423604 /nfs/dbraw/zinc/42/36/04/467423604.db2.gz VLSKJGJUBJKSBR-MOPGFXCFSA-N 2 2 327.472 2.035 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)N1CCc2ccccc2C1 ZINC000391954287 467423606 /nfs/dbraw/zinc/42/36/06/467423606.db2.gz VLSKJGJUBJKSBR-MOPGFXCFSA-N 2 2 327.472 2.035 10 0 EEAELP COc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000453267671 467473821 /nfs/dbraw/zinc/47/38/21/467473821.db2.gz PNRSXYHYVQONCF-GXTWGEPZSA-N 2 2 327.856 2.241 10 0 EEAELP COc1ncc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000453267671 467473823 /nfs/dbraw/zinc/47/38/23/467473823.db2.gz PNRSXYHYVQONCF-GXTWGEPZSA-N 2 2 327.856 2.241 10 0 EEAELP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1C[NH2+]CCO1 ZINC000415093361 467488008 /nfs/dbraw/zinc/48/80/08/467488008.db2.gz HZPIMCDDKSVUOV-ZWNOBZJWSA-N 2 2 331.229 2.097 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2nnc3n2CCC3)CC1 ZINC000449070429 467616577 /nfs/dbraw/zinc/61/65/77/467616577.db2.gz CNKFBWDZICIWOH-MRXNPFEDSA-N 2 2 339.487 2.410 10 0 EEAELP COc1cccc(OCC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000528727735 467740254 /nfs/dbraw/zinc/74/02/54/467740254.db2.gz JZWOULJEKXPTKP-UHFFFAOYSA-N 2 2 334.460 2.261 10 0 EEAELP CCc1cccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000450244574 467807507 /nfs/dbraw/zinc/80/75/07/467807507.db2.gz NDPJKEJNSHRTEP-JWTNVVGKSA-N 2 2 342.487 2.027 10 0 EEAELP CCc1cccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000450244574 467807514 /nfs/dbraw/zinc/80/75/14/467807514.db2.gz NDPJKEJNSHRTEP-JWTNVVGKSA-N 2 2 342.487 2.027 10 0 EEAELP COCCOc1cccc(C[NH+]2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000529661748 467891736 /nfs/dbraw/zinc/89/17/36/467891736.db2.gz CAWCASCQSBREJI-UHFFFAOYSA-N 2 2 348.487 2.399 10 0 EEAELP [NH3+]CCCCC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000515350521 467987116 /nfs/dbraw/zinc/98/71/16/467987116.db2.gz QAIPYWXPFVBAEC-ZDUSSCGKSA-N 2 2 325.403 2.174 10 0 EEAELP [NH3+]CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000515350521 467987117 /nfs/dbraw/zinc/98/71/17/467987117.db2.gz QAIPYWXPFVBAEC-ZDUSSCGKSA-N 2 2 325.403 2.174 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@@H+]1C ZINC000533448339 468201318 /nfs/dbraw/zinc/20/13/18/468201318.db2.gz CIDJUDVTZKOUDO-MVJVIOSPSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[N@H+]1C ZINC000533448339 468201322 /nfs/dbraw/zinc/20/13/22/468201322.db2.gz CIDJUDVTZKOUDO-MVJVIOSPSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH+]1C ZINC000533448339 468201324 /nfs/dbraw/zinc/20/13/24/468201324.db2.gz CIDJUDVTZKOUDO-MVJVIOSPSA-N 2 2 333.520 2.486 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC[NH+]1C ZINC000533448339 468201329 /nfs/dbraw/zinc/20/13/29/468201329.db2.gz CIDJUDVTZKOUDO-MVJVIOSPSA-N 2 2 333.520 2.486 10 0 EEAELP COc1ccc([C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000557428432 468630528 /nfs/dbraw/zinc/63/05/28/468630528.db2.gz QZJAMMXWEUHCTI-GOSISDBHSA-N 2 2 345.487 2.290 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)s1 ZINC000592183088 468648381 /nfs/dbraw/zinc/64/83/81/468648381.db2.gz RGAKTSMXYUNQKC-UHFFFAOYSA-N 2 2 338.473 2.140 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)s1 ZINC000592183088 468648383 /nfs/dbraw/zinc/64/83/83/468648383.db2.gz RGAKTSMXYUNQKC-UHFFFAOYSA-N 2 2 338.473 2.140 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000558651070 468698794 /nfs/dbraw/zinc/69/87/94/468698794.db2.gz MVTOXADHEULLBB-CVEARBPZSA-N 2 2 345.491 2.203 10 0 EEAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000595003316 468742002 /nfs/dbraw/zinc/74/20/02/468742002.db2.gz GZYBOFJERCTDGT-CVEARBPZSA-N 2 2 328.497 2.301 10 0 EEAELP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000595003316 468742005 /nfs/dbraw/zinc/74/20/05/468742005.db2.gz GZYBOFJERCTDGT-CVEARBPZSA-N 2 2 328.497 2.301 10 0 EEAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000571726132 468828945 /nfs/dbraw/zinc/82/89/45/468828945.db2.gz YCPQHMCCSNQIKZ-ZDUSSCGKSA-N 2 2 337.383 2.176 10 0 EEAELP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc3c(c1)OCO3)CC2 ZINC000571726132 468828951 /nfs/dbraw/zinc/82/89/51/468828951.db2.gz YCPQHMCCSNQIKZ-ZDUSSCGKSA-N 2 2 337.383 2.176 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1c(F)cccc1F ZINC000584788225 468937248 /nfs/dbraw/zinc/93/72/48/468937248.db2.gz FUIPSOKWOIMQHF-QGZVFWFLSA-N 2 2 347.409 2.499 10 0 EEAELP Cc1c[nH+]c(C)nc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000573385616 469120747 /nfs/dbraw/zinc/12/07/47/469120747.db2.gz CGVCKHDKOVSIQR-UHFFFAOYSA-N 2 2 325.460 2.718 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000625985895 469458726 /nfs/dbraw/zinc/45/87/26/469458726.db2.gz LZPGVHSKTMBMGD-ROUUACIJSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000625985895 469458730 /nfs/dbraw/zinc/45/87/30/469458730.db2.gz LZPGVHSKTMBMGD-ROUUACIJSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000625985895 469458735 /nfs/dbraw/zinc/45/87/35/469458735.db2.gz LZPGVHSKTMBMGD-ROUUACIJSA-N 2 2 338.467 2.333 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000625985895 469458741 /nfs/dbraw/zinc/45/87/41/469458741.db2.gz LZPGVHSKTMBMGD-ROUUACIJSA-N 2 2 338.467 2.333 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2c[nH+]cn2C)CC1 ZINC000623086238 469546383 /nfs/dbraw/zinc/54/63/83/469546383.db2.gz DKLRGNVXWWMMHS-UHFFFAOYSA-N 3 2 341.503 2.284 10 0 EEAELP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1ccc(Cl)cc1 ZINC000629520716 469571995 /nfs/dbraw/zinc/57/19/95/469571995.db2.gz HMSXDDMFSKQZDC-GFCCVEGCSA-N 2 2 349.866 2.388 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375308 469697091 /nfs/dbraw/zinc/69/70/91/469697091.db2.gz AUTNHFHDGNNOEH-KKUMJFAQSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375308 469697092 /nfs/dbraw/zinc/69/70/92/469697092.db2.gz AUTNHFHDGNNOEH-KKUMJFAQSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375308 469697094 /nfs/dbraw/zinc/69/70/94/469697094.db2.gz AUTNHFHDGNNOEH-KKUMJFAQSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375308 469697097 /nfs/dbraw/zinc/69/70/97/469697097.db2.gz AUTNHFHDGNNOEH-KKUMJFAQSA-N 2 2 330.476 2.284 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000613623146 469752282 /nfs/dbraw/zinc/75/22/82/469752282.db2.gz VSTYDZQAQXCUGM-HZPDHXFCSA-N 2 2 330.476 2.318 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000613623146 469752287 /nfs/dbraw/zinc/75/22/87/469752287.db2.gz VSTYDZQAQXCUGM-HZPDHXFCSA-N 2 2 330.476 2.318 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000626979539 469775424 /nfs/dbraw/zinc/77/54/24/469775424.db2.gz CGCSOWLNGRVLNU-ZNMIVQPWSA-N 2 2 340.418 2.007 10 0 EEAELP COc1ccc2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc2c1 ZINC000617763751 469796157 /nfs/dbraw/zinc/79/61/57/469796157.db2.gz ZYKDUOPLOSHDNK-UHFFFAOYSA-N 2 2 343.471 2.462 10 0 EEAELP COc1ccc2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc2c1 ZINC000617763751 469796161 /nfs/dbraw/zinc/79/61/61/469796161.db2.gz ZYKDUOPLOSHDNK-UHFFFAOYSA-N 2 2 343.471 2.462 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1sccc1-n1cccc1 ZINC000617767911 469798469 /nfs/dbraw/zinc/79/84/69/469798469.db2.gz HXPDMNFWYCFZOD-UHFFFAOYSA-N 2 2 334.489 2.152 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1sccc1-n1cccc1 ZINC000617767911 469798470 /nfs/dbraw/zinc/79/84/70/469798470.db2.gz HXPDMNFWYCFZOD-UHFFFAOYSA-N 2 2 334.489 2.152 10 0 EEAELP C[C@H](Oc1ccccc1Cl)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768258 469799172 /nfs/dbraw/zinc/79/91/72/469799172.db2.gz WFLSVTNSASZPPY-AWEZNQCLSA-N 2 2 341.883 2.107 10 0 EEAELP C[C@H](Oc1ccccc1Cl)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768258 469799177 /nfs/dbraw/zinc/79/91/77/469799177.db2.gz WFLSVTNSASZPPY-AWEZNQCLSA-N 2 2 341.883 2.107 10 0 EEAELP CO[C@H]1C[N@H+](CCOc2cccc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000630363180 469819737 /nfs/dbraw/zinc/81/97/37/469819737.db2.gz CHJKQXBWTOPZKH-CABCVRRESA-N 2 2 343.265 2.266 10 0 EEAELP CO[C@H]1C[N@@H+](CCOc2cccc(Br)c2)[C@](C)(C[NH3+])C1 ZINC000630363180 469819744 /nfs/dbraw/zinc/81/97/44/469819744.db2.gz CHJKQXBWTOPZKH-CABCVRRESA-N 2 2 343.265 2.266 10 0 EEAELP CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000617929398 469842308 /nfs/dbraw/zinc/84/23/08/469842308.db2.gz IQVJBAGGPVQYCU-LJQANCHMSA-N 2 2 345.487 2.075 10 0 EEAELP CCN(C(=O)c1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617929398 469842311 /nfs/dbraw/zinc/84/23/11/469842311.db2.gz IQVJBAGGPVQYCU-LJQANCHMSA-N 2 2 345.487 2.075 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccsc1)CC2 ZINC000627724041 469983169 /nfs/dbraw/zinc/98/31/69/469983169.db2.gz RNCUDOBBSZXAIO-MRXNPFEDSA-N 2 2 346.500 2.406 10 0 EEAELP CC[NH+]1CCC(N(C)C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000630897932 470023143 /nfs/dbraw/zinc/02/31/43/470023143.db2.gz OCDHMEPEDKJDGP-UHFFFAOYSA-N 2 2 326.444 2.358 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)n1C ZINC000631191037 470089659 /nfs/dbraw/zinc/08/96/59/470089659.db2.gz NRCLNXNQOVXJIN-OAHLLOKOSA-N 2 2 340.830 2.492 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC12CC3CC(CC(C3)C1)C2 ZINC000631885016 470189293 /nfs/dbraw/zinc/18/92/93/470189293.db2.gz SFZFAJPHSZXUIB-KQCPESONSA-N 2 2 331.504 2.145 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)NC12CC3CC(CC(C3)C1)C2 ZINC000631885016 470189294 /nfs/dbraw/zinc/18/92/94/470189294.db2.gz SFZFAJPHSZXUIB-KQCPESONSA-N 2 2 331.504 2.145 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634704299 470282158 /nfs/dbraw/zinc/28/21/58/470282158.db2.gz JIJDMYCLKSFHKR-UONOGXRCSA-N 2 2 333.259 2.417 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634704299 470282159 /nfs/dbraw/zinc/28/21/59/470282159.db2.gz JIJDMYCLKSFHKR-UONOGXRCSA-N 2 2 333.259 2.417 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000634714103 470285024 /nfs/dbraw/zinc/28/50/24/470285024.db2.gz GIBIJTPRLSLLGM-XLNTUCKNSA-N 2 2 332.488 2.151 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000634714103 470285025 /nfs/dbraw/zinc/28/50/25/470285025.db2.gz GIBIJTPRLSLLGM-XLNTUCKNSA-N 2 2 332.488 2.151 10 0 EEAELP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000632913401 470286524 /nfs/dbraw/zinc/28/65/24/470286524.db2.gz ZMHWMLXYLHLEJH-BETUJISGSA-N 2 2 335.477 2.097 10 0 EEAELP COc1cc(C[NH+](C)C)ccc1NC(=O)[C@H]1CCn2cc(C)[nH+]c2C1 ZINC000633379907 470446893 /nfs/dbraw/zinc/44/68/93/470446893.db2.gz NZZNAYSNTUIWII-HNNXBMFYSA-N 2 2 342.443 2.463 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@H](C)c3ccncc3)CC2)CC1 ZINC000633458561 470474258 /nfs/dbraw/zinc/47/42/58/470474258.db2.gz JHMNKCMIDBRQBU-QGZVFWFLSA-N 2 2 344.503 2.204 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@H](C)c3ccncc3)CC2)CC1 ZINC000633458561 470474264 /nfs/dbraw/zinc/47/42/64/470474264.db2.gz JHMNKCMIDBRQBU-QGZVFWFLSA-N 2 2 344.503 2.204 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645982081 470482808 /nfs/dbraw/zinc/48/28/08/470482808.db2.gz ATTTVCDYVRFNPM-PMACEKPBSA-N 2 2 325.456 2.364 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2cccnc2)C1 ZINC000645982081 470482812 /nfs/dbraw/zinc/48/28/12/470482812.db2.gz ATTTVCDYVRFNPM-PMACEKPBSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000645982081 470482816 /nfs/dbraw/zinc/48/28/16/470482816.db2.gz ATTTVCDYVRFNPM-PMACEKPBSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000645982081 470482821 /nfs/dbraw/zinc/48/28/21/470482821.db2.gz ATTTVCDYVRFNPM-PMACEKPBSA-N 2 2 325.456 2.364 10 0 EEAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000635455909 470596214 /nfs/dbraw/zinc/59/62/14/470596214.db2.gz JNTOLKWVDDLHBX-BRWVUGGUSA-N 2 2 330.476 2.484 10 0 EEAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000635455909 470596217 /nfs/dbraw/zinc/59/62/17/470596217.db2.gz JNTOLKWVDDLHBX-BRWVUGGUSA-N 2 2 330.476 2.484 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc4n(n3)CCCC4)CC2)CC1 ZINC000649631806 470649218 /nfs/dbraw/zinc/64/92/18/470649218.db2.gz NJNSCVODPGWZMX-UHFFFAOYSA-N 2 2 345.535 2.211 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc4n(n3)CCCC4)CC2)CC1 ZINC000649631806 470649221 /nfs/dbraw/zinc/64/92/21/470649221.db2.gz NJNSCVODPGWZMX-UHFFFAOYSA-N 2 2 345.535 2.211 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc4n(n3)CCCC4)CC2)CC1 ZINC000649631806 470649224 /nfs/dbraw/zinc/64/92/24/470649224.db2.gz NJNSCVODPGWZMX-UHFFFAOYSA-N 2 2 345.535 2.211 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4n(n3)CCCC4)CC2)CC1 ZINC000649631806 470649227 /nfs/dbraw/zinc/64/92/27/470649227.db2.gz NJNSCVODPGWZMX-UHFFFAOYSA-N 2 2 345.535 2.211 10 0 EEAELP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651170767 471076297 /nfs/dbraw/zinc/07/62/97/471076297.db2.gz YQIDHXKGWOHSKL-OWCLPIDISA-N 2 2 332.492 2.245 10 0 EEAELP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651170767 471076300 /nfs/dbraw/zinc/07/63/00/471076300.db2.gz YQIDHXKGWOHSKL-OWCLPIDISA-N 2 2 332.492 2.245 10 0 EEAELP C[C@@H]1C[NH+](CCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@@H](C)O1 ZINC000657295757 471088880 /nfs/dbraw/zinc/08/88/80/471088880.db2.gz XHOHTFRKAATGDM-VXGBXAGGSA-N 2 2 334.386 2.028 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cn21 ZINC000648211527 471125889 /nfs/dbraw/zinc/12/58/89/471125889.db2.gz UQAMGVKYKWBSNC-UAGQMJEPSA-N 2 2 326.444 2.222 10 0 EEAELP CC[C@@H]1C[C@@H](Nc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)CO1 ZINC000657408109 471128426 /nfs/dbraw/zinc/12/84/26/471128426.db2.gz DPVUKSKQRNILFD-HZPDHXFCSA-N 2 2 344.459 2.417 10 0 EEAELP C[NH+](C)CCOc1ccc(C[N@@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1 ZINC000652064825 471221118 /nfs/dbraw/zinc/22/11/18/471221118.db2.gz ARDRYIVJAZABQM-QZTJIDSGSA-N 2 2 334.460 2.005 10 0 EEAELP C[NH+](C)CCOc1ccc(C[N@H+]2CC(C)(C)O[C@@H]3COC[C@H]32)cc1 ZINC000652064825 471221123 /nfs/dbraw/zinc/22/11/23/471221123.db2.gz ARDRYIVJAZABQM-QZTJIDSGSA-N 2 2 334.460 2.005 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000660419686 471332196 /nfs/dbraw/zinc/33/21/96/471332196.db2.gz CVLLPUAOTBFLHK-RDJZCZTQSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000660419686 471332201 /nfs/dbraw/zinc/33/22/01/471332201.db2.gz CVLLPUAOTBFLHK-RDJZCZTQSA-N 2 2 341.459 2.445 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000655470500 471339629 /nfs/dbraw/zinc/33/96/29/471339629.db2.gz BDDDPQJAXGPJHI-CKNFYHOISA-N 2 2 349.425 2.216 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@H]1c1ccc(F)c(F)c1 ZINC000655470500 471339630 /nfs/dbraw/zinc/33/96/30/471339630.db2.gz BDDDPQJAXGPJHI-CKNFYHOISA-N 2 2 349.425 2.216 10 0 EEAELP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1nnc2ccccn21 ZINC000655704891 471448722 /nfs/dbraw/zinc/44/87/22/471448722.db2.gz PIFWULNPPPFVPF-AEFFLSMTSA-N 2 2 343.475 2.269 10 0 EEAELP CCCc1cnc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000666581690 471456306 /nfs/dbraw/zinc/45/63/06/471456306.db2.gz JMIFSNBLABFEEK-UHFFFAOYSA-N 2 2 327.498 2.101 10 0 EEAELP CCCc1cnc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000666581690 471456309 /nfs/dbraw/zinc/45/63/09/471456309.db2.gz JMIFSNBLABFEEK-UHFFFAOYSA-N 2 2 327.498 2.101 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000653090365 471481361 /nfs/dbraw/zinc/48/13/61/471481361.db2.gz NEAWOYBIGCDIMJ-OLZOCXBDSA-N 2 2 330.259 2.376 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c2[nH+]ccn21 ZINC000659044532 471486594 /nfs/dbraw/zinc/48/65/94/471486594.db2.gz ROKMYJIMUSPTFK-KCXAZCMYSA-N 2 2 341.415 2.372 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[N@H+](CCO)C(C)(C)C3)c2cc1OC ZINC000663833465 471538643 /nfs/dbraw/zinc/53/86/43/471538643.db2.gz QQMRVQKPXVVRRY-UHFFFAOYSA-N 2 2 345.443 2.145 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[N@@H+](CCO)C(C)(C)C3)c2cc1OC ZINC000663833465 471538647 /nfs/dbraw/zinc/53/86/47/471538647.db2.gz QQMRVQKPXVVRRY-UHFFFAOYSA-N 2 2 345.443 2.145 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC/C=C\C[NH3+])c(C)c1 ZINC000669540566 471541290 /nfs/dbraw/zinc/54/12/90/471541290.db2.gz JGQRLLBWAYPIAQ-CWIOURORSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@H](NC(=O)Nc1cc[nH+]cc1N(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000670079210 471671837 /nfs/dbraw/zinc/67/18/37/471671837.db2.gz BIXCWNYRGIHDCI-LSDHHAIUSA-N 2 2 345.491 2.344 10 0 EEAELP C[C@H](NC(=O)Nc1cc[nH+]cc1N(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000670079210 471671842 /nfs/dbraw/zinc/67/18/42/471671842.db2.gz BIXCWNYRGIHDCI-LSDHHAIUSA-N 2 2 345.491 2.344 10 0 EEAELP Cc1ccc([C@H](CNC(=O)Nc2cc[nH+]cc2N(C)C)[NH+](C)C)cc1 ZINC000670081920 471672456 /nfs/dbraw/zinc/67/24/56/471672456.db2.gz DNFSEXLOHUWEFQ-KRWDZBQOSA-N 2 2 341.459 2.302 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3coc(C4CCCC4)n3)C2)CC1 ZINC000670191712 471688595 /nfs/dbraw/zinc/68/85/95/471688595.db2.gz KVZAFSJXPMYYIZ-OAHLLOKOSA-N 2 2 346.475 2.231 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3coc(C4CCCC4)n3)C2)CC1 ZINC000670191712 471688598 /nfs/dbraw/zinc/68/85/98/471688598.db2.gz KVZAFSJXPMYYIZ-OAHLLOKOSA-N 2 2 346.475 2.231 10 0 EEAELP C[C@@H](NC(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667247034 471707725 /nfs/dbraw/zinc/70/77/25/471707725.db2.gz XNJNUKUPGBZJFW-DNVCBOLYSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@@H](NC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667247034 471707730 /nfs/dbraw/zinc/70/77/30/471707730.db2.gz XNJNUKUPGBZJFW-DNVCBOLYSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000653741381 471727773 /nfs/dbraw/zinc/72/77/73/471727773.db2.gz AZFQOIYJKWCZTJ-KNXALSJPSA-N 2 2 328.416 2.153 10 0 EEAELP Cc1ccc([C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1F ZINC000664383949 471737589 /nfs/dbraw/zinc/73/75/89/471737589.db2.gz GFBLGTDXWQAMAO-OAHLLOKOSA-N 2 2 338.471 2.378 10 0 EEAELP Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000664383949 471737592 /nfs/dbraw/zinc/73/75/92/471737592.db2.gz GFBLGTDXWQAMAO-OAHLLOKOSA-N 2 2 338.471 2.378 10 0 EEAELP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805063 471747710 /nfs/dbraw/zinc/74/77/10/471747710.db2.gz ASKPHBCIHZELAL-KRWDZBQOSA-N 2 2 328.460 2.122 10 0 EEAELP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc3cccnc3n2)CC1 ZINC000653805063 471747713 /nfs/dbraw/zinc/74/77/13/471747713.db2.gz ASKPHBCIHZELAL-KRWDZBQOSA-N 2 2 328.460 2.122 10 0 EEAELP C[N@@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)[C@@H](C[NH3+])C1 ZINC000667378575 471758803 /nfs/dbraw/zinc/75/88/03/471758803.db2.gz SHWVNYZMAPGOHS-VIFPVBQESA-N 2 2 332.782 2.384 10 0 EEAELP C[N@H+]1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)[C@@H](C[NH3+])C1 ZINC000667378575 471758808 /nfs/dbraw/zinc/75/88/08/471758808.db2.gz SHWVNYZMAPGOHS-VIFPVBQESA-N 2 2 332.782 2.384 10 0 EEAELP CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667565784 471824841 /nfs/dbraw/zinc/82/48/41/471824841.db2.gz DTPSMXINADQBKS-INIZCTEOSA-N 2 2 341.459 2.396 10 0 EEAELP Cc1cccn2c(NC(=O)NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c[nH+]c12 ZINC000667947927 471958397 /nfs/dbraw/zinc/95/83/97/471958397.db2.gz HEYUGWITUUIHDW-HUUCEWRRSA-N 2 2 345.447 2.264 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030465 471962936 /nfs/dbraw/zinc/96/29/36/471962936.db2.gz FQVALEUJGFOQCX-FVQBIDKESA-N 2 2 340.427 2.372 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030465 471962940 /nfs/dbraw/zinc/96/29/40/471962940.db2.gz FQVALEUJGFOQCX-FVQBIDKESA-N 2 2 340.427 2.372 10 0 EEAELP COc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000665176116 471963443 /nfs/dbraw/zinc/96/34/43/471963443.db2.gz VKJSWTDBCHXBBN-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP COc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000665176116 471963449 /nfs/dbraw/zinc/96/34/49/471963449.db2.gz VKJSWTDBCHXBBN-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000662097720 471985083 /nfs/dbraw/zinc/98/50/83/471985083.db2.gz CUIBPNFBTZPUKL-AWEZNQCLSA-N 2 2 329.448 2.432 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)c2[nH+]ccn2C)c1 ZINC000662097720 471985085 /nfs/dbraw/zinc/98/50/85/471985085.db2.gz CUIBPNFBTZPUKL-AWEZNQCLSA-N 2 2 329.448 2.432 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662142453 472006499 /nfs/dbraw/zinc/00/64/99/472006499.db2.gz IWSYYUVQQOTSNL-PJIJBLCYSA-N 2 2 342.443 2.354 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662142453 472006504 /nfs/dbraw/zinc/00/65/04/472006504.db2.gz IWSYYUVQQOTSNL-PJIJBLCYSA-N 2 2 342.443 2.354 10 0 EEAELP O[C@H]([C@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668225019 472051190 /nfs/dbraw/zinc/05/11/90/472051190.db2.gz BZAMWLALLUTSSU-SMDDNHRTSA-N 2 2 326.322 2.012 10 0 EEAELP O[C@H]([C@H]1CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668225019 472051192 /nfs/dbraw/zinc/05/11/92/472051192.db2.gz BZAMWLALLUTSSU-SMDDNHRTSA-N 2 2 326.322 2.012 10 0 EEAELP CC(C)N(C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662315264 472067011 /nfs/dbraw/zinc/06/70/11/472067011.db2.gz DEYAPYSZFFASPQ-IBGZPJMESA-N 2 2 347.503 2.471 10 0 EEAELP CC(C)N(C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662315264 472067014 /nfs/dbraw/zinc/06/70/14/472067014.db2.gz DEYAPYSZFFASPQ-IBGZPJMESA-N 2 2 347.503 2.471 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000662455428 472114987 /nfs/dbraw/zinc/11/49/87/472114987.db2.gz YTLDBDAMXBDMBD-WBMJQRKESA-N 2 2 325.403 2.043 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000662455428 472114994 /nfs/dbraw/zinc/11/49/94/472114994.db2.gz YTLDBDAMXBDMBD-WBMJQRKESA-N 2 2 325.403 2.043 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662537263 472143916 /nfs/dbraw/zinc/14/39/16/472143916.db2.gz ZEQCZFGYJLNQAM-DZKIICNBSA-N 2 2 343.393 2.353 10 0 EEAELP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662537263 472143917 /nfs/dbraw/zinc/14/39/17/472143917.db2.gz ZEQCZFGYJLNQAM-DZKIICNBSA-N 2 2 343.393 2.353 10 0 EEAELP [NH3+][C@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1c(F)cccc1F ZINC000662686281 472207741 /nfs/dbraw/zinc/20/77/41/472207741.db2.gz LPQHXJIBRBNBNY-WBVHZDCISA-N 2 2 347.365 2.264 10 0 EEAELP CC[N@H+](CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)Cc1ccccc1Cl ZINC000662749766 472234070 /nfs/dbraw/zinc/23/40/70/472234070.db2.gz PZCWPTVLJNCLDU-HUUCEWRRSA-N 2 2 327.831 2.060 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)Cc1ccccc1Cl ZINC000662749766 472234075 /nfs/dbraw/zinc/23/40/75/472234075.db2.gz PZCWPTVLJNCLDU-HUUCEWRRSA-N 2 2 327.831 2.060 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662799237 472257330 /nfs/dbraw/zinc/25/73/30/472257330.db2.gz VMONDSGIUDQKCQ-KFYUAXIPSA-N 2 2 341.377 2.093 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000662799237 472257336 /nfs/dbraw/zinc/25/73/36/472257336.db2.gz VMONDSGIUDQKCQ-KFYUAXIPSA-N 2 2 341.377 2.093 10 0 EEAELP O=S1(=O)CC(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683692250 485609763 /nfs/dbraw/zinc/60/97/63/485609763.db2.gz PDPXUBWEHVDYDC-LDLYASANSA-N 2 2 348.512 2.206 10 0 EEAELP O=S1(=O)CC(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683692250 485609768 /nfs/dbraw/zinc/60/97/68/485609768.db2.gz PDPXUBWEHVDYDC-LDLYASANSA-N 2 2 348.512 2.206 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](C)[C@H](F)C2)CC1 ZINC000679221634 485622924 /nfs/dbraw/zinc/62/29/24/485622924.db2.gz HIWNOKSKKXXIBJ-PKOBYXMFSA-N 2 2 347.478 2.319 10 0 EEAELP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](C)[C@H](F)C2)CC1 ZINC000679221634 485622930 /nfs/dbraw/zinc/62/29/30/485622930.db2.gz HIWNOKSKKXXIBJ-PKOBYXMFSA-N 2 2 347.478 2.319 10 0 EEAELP C[C@@H]1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C[NH2+]1 ZINC000629542712 485730711 /nfs/dbraw/zinc/73/07/11/485730711.db2.gz JRHWOVVPDFJGRN-BVPBIZIASA-N 2 2 337.895 2.442 10 0 EEAELP C[C@@H]1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C[NH2+]1 ZINC000629542712 485730722 /nfs/dbraw/zinc/73/07/22/485730722.db2.gz JRHWOVVPDFJGRN-BVPBIZIASA-N 2 2 337.895 2.442 10 0 EEAELP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000684184673 485793866 /nfs/dbraw/zinc/79/38/66/485793866.db2.gz SZLWTJMVGREHQC-AYOQOUSVSA-N 2 2 345.462 2.078 10 0 EEAELP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1)[N@H+]1CCc2ccccc2C1 ZINC000684184673 485793873 /nfs/dbraw/zinc/79/38/73/485793873.db2.gz SZLWTJMVGREHQC-AYOQOUSVSA-N 2 2 345.462 2.078 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)Nc1ccccc1CC[NH+](C)C)CC2 ZINC000682107107 486422905 /nfs/dbraw/zinc/42/29/05/486422905.db2.gz KNSGBMJULHPWTH-UHFFFAOYSA-N 2 2 327.432 2.343 10 0 EEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1S(=O)(=O)CC[NH+](CC)CC ZINC000352919736 517638306 /nfs/dbraw/zinc/63/83/06/517638306.db2.gz XXHDHABHMFJUBS-HNNXBMFYSA-N 2 2 342.509 2.102 10 0 EEAELP CC(C)[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000438503852 535197571 /nfs/dbraw/zinc/19/75/71/535197571.db2.gz GTEBHQYQXPJREJ-SFHVURJKSA-N 2 2 345.487 2.435 10 0 EEAELP CC(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000438503852 535197575 /nfs/dbraw/zinc/19/75/75/535197575.db2.gz GTEBHQYQXPJREJ-SFHVURJKSA-N 2 2 345.487 2.435 10 0 EEAELP CC[C@H](NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)c1[nH]cc[nH+]1 ZINC000442798825 535875398 /nfs/dbraw/zinc/87/53/98/535875398.db2.gz WZOLDYWPFSYOOO-KRWDZBQOSA-N 2 2 341.459 2.433 10 0 EEAELP Cc1cccnc1/C=C\C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000759848296 577652010 /nfs/dbraw/zinc/65/20/10/577652010.db2.gz APROBCJQAXYCGM-HPFMTEOYSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cccnc1/C=C\C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000759848296 577652011 /nfs/dbraw/zinc/65/20/11/577652011.db2.gz APROBCJQAXYCGM-HPFMTEOYSA-N 2 2 342.487 2.030 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000742691815 577875438 /nfs/dbraw/zinc/87/54/38/577875438.db2.gz JTSCEZGTRBRMHD-UHFFFAOYSA-N 2 2 346.390 2.258 10 0 EEAELP CN(C)C(=O)c1ccc(CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)[nH]1 ZINC000895110275 683935437 /nfs/dbraw/zinc/93/54/37/683935437.db2.gz GVZLBKYZUPCKOZ-KOMQPUFPSA-N 2 2 341.459 2.388 10 0 EEAELP CN(C(=O)C[C@H]1CCC2(CCC2)O1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896989809 686037914 /nfs/dbraw/zinc/03/79/14/686037914.db2.gz WFWRKIWJALRDFR-QZTJIDSGSA-N 2 2 349.519 2.105 10 0 EEAELP CN(C(=O)C[C@H]1CCC2(CCC2)O1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896989809 686037918 /nfs/dbraw/zinc/03/79/18/686037918.db2.gz WFWRKIWJALRDFR-QZTJIDSGSA-N 2 2 349.519 2.105 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)c[nH+]1 ZINC000897740277 691776023 /nfs/dbraw/zinc/77/60/23/691776023.db2.gz XHPGIVAIQONZOW-UHFFFAOYSA-N 2 2 326.444 2.269 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c[nH+]1 ZINC000897740277 691776025 /nfs/dbraw/zinc/77/60/25/691776025.db2.gz XHPGIVAIQONZOW-UHFFFAOYSA-N 2 2 326.444 2.269 10 0 EEAELP Cc1cccc([C@H](C)[N@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c1 ZINC001485617348 1191859169 /nfs/dbraw/zinc/85/91/69/1191859169.db2.gz BWBFDZNCTDOCJD-LEUOFYLZSA-N 2 2 338.455 2.316 10 0 EEAELP Cc1cccc([C@H](C)[N@@H+]2C[C@@H]3[C@@H](CNC(=O)Cc4[nH]cc[nH+]4)[C@@H]3C2)c1 ZINC001485617348 1191859172 /nfs/dbraw/zinc/85/91/72/1191859172.db2.gz BWBFDZNCTDOCJD-LEUOFYLZSA-N 2 2 338.455 2.316 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CCCCC(F)(F)F)C1 ZINC001266355673 1176388613 /nfs/dbraw/zinc/38/86/13/1176388613.db2.gz MFCHJQLMFQNYLO-CYBMUJFWSA-N 2 2 346.397 2.276 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001266355673 1176388622 /nfs/dbraw/zinc/38/86/22/1176388622.db2.gz MFCHJQLMFQNYLO-CYBMUJFWSA-N 2 2 346.397 2.276 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001670490092 1176830310 /nfs/dbraw/zinc/83/03/10/1176830310.db2.gz GTWAIMDRDHZQSW-DLBZAZTESA-N 2 2 332.492 2.366 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C[NH2+]CCc1ccc(C)cc1)C1CC1 ZINC001670545530 1176876615 /nfs/dbraw/zinc/87/66/15/1176876615.db2.gz VPHGFURKCBQKOF-IBGZPJMESA-N 2 2 340.471 2.296 10 0 EEAELP c1[nH+]cn2ccnc(N3CCC(CCC[NH+]4CCOCC4)CC3)c12 ZINC001772529057 1177054479 /nfs/dbraw/zinc/05/44/79/1177054479.db2.gz HDWPHSIYRPOZBY-UHFFFAOYSA-N 2 2 329.448 2.058 10 0 EEAELP Cc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001691366478 1177971351 /nfs/dbraw/zinc/97/13/51/1177971351.db2.gz PARAWBUGWKIARN-KRWDZBQOSA-N 2 2 326.444 2.002 10 0 EEAELP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001691369338 1177973935 /nfs/dbraw/zinc/97/39/35/1177973935.db2.gz MYJLDOUWHRXWHZ-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP COCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267114047 1178274114 /nfs/dbraw/zinc/27/41/14/1178274114.db2.gz AJPUCPAUFLRUKQ-MRXNPFEDSA-N 2 2 336.480 2.000 10 0 EEAELP COCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001267114047 1178274120 /nfs/dbraw/zinc/27/41/20/1178274120.db2.gz AJPUCPAUFLRUKQ-MRXNPFEDSA-N 2 2 336.480 2.000 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1Cc1nccs1 ZINC001481044000 1179615483 /nfs/dbraw/zinc/61/54/83/1179615483.db2.gz HWNVRCRGTKTLNO-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1Cc1nccs1 ZINC001481044000 1179615486 /nfs/dbraw/zinc/61/54/86/1179615486.db2.gz HWNVRCRGTKTLNO-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1nccs1 ZINC001481044000 1179615487 /nfs/dbraw/zinc/61/54/87/1179615487.db2.gz HWNVRCRGTKTLNO-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1nccs1 ZINC001481044000 1179615489 /nfs/dbraw/zinc/61/54/89/1179615489.db2.gz HWNVRCRGTKTLNO-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC001481068604 1179672837 /nfs/dbraw/zinc/67/28/37/1179672837.db2.gz AVCUSNPZDXFTTO-CQSZACIVSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC001481068604 1179672840 /nfs/dbraw/zinc/67/28/40/1179672840.db2.gz AVCUSNPZDXFTTO-CQSZACIVSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001481126839 1179836029 /nfs/dbraw/zinc/83/60/29/1179836029.db2.gz WCHZEXREEHUTJC-KRWDZBQOSA-N 2 2 330.476 2.292 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001481126839 1179836038 /nfs/dbraw/zinc/83/60/38/1179836038.db2.gz WCHZEXREEHUTJC-KRWDZBQOSA-N 2 2 330.476 2.292 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1C ZINC001481290441 1180894982 /nfs/dbraw/zinc/89/49/82/1180894982.db2.gz KHRZBIXDQBVWFM-MRXNPFEDSA-N 2 2 328.460 2.453 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1C ZINC001481290441 1180894991 /nfs/dbraw/zinc/89/49/91/1180894991.db2.gz KHRZBIXDQBVWFM-MRXNPFEDSA-N 2 2 328.460 2.453 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)C[NH2+]CC[C@H]3CCCO3)ccn12 ZINC001267984751 1180919607 /nfs/dbraw/zinc/91/96/07/1180919607.db2.gz ACIPEXJPARJQGW-WMLDXEAASA-N 2 2 344.459 2.167 10 0 EEAELP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH2+]CC=C(Cl)Cl ZINC001268005155 1180960495 /nfs/dbraw/zinc/96/04/95/1180960495.db2.gz KJRUPWOLLDFXBW-NWDGAFQWSA-N 2 2 333.263 2.495 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@H](C)C[NH2+]C/C=C/Cl)[nH+]c12 ZINC001268006600 1180962297 /nfs/dbraw/zinc/96/22/97/1180962297.db2.gz GMIQUVPAAHXWQX-DIECRNLCSA-N 2 2 334.851 2.280 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1)c1nc2ccccc2o1 ZINC001268016753 1180981576 /nfs/dbraw/zinc/98/15/76/1180981576.db2.gz FWGAAIJAINKKRL-ZIAGYGMSSA-N 2 2 341.415 2.127 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)[C@H]1C[NH2+]CCOC1CCC1 ZINC001268184684 1181969687 /nfs/dbraw/zinc/96/96/87/1181969687.db2.gz BGXHQJBGWMXITD-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCOC1CCC1 ZINC001268184684 1181969692 /nfs/dbraw/zinc/96/96/92/1181969692.db2.gz BGXHQJBGWMXITD-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001481753035 1182551825 /nfs/dbraw/zinc/55/18/25/1182551825.db2.gz NMATWUMVNBGXIP-MRXNPFEDSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](Cc2cc(F)ccc2F)C1 ZINC001481753035 1182551830 /nfs/dbraw/zinc/55/18/30/1182551830.db2.gz NMATWUMVNBGXIP-MRXNPFEDSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001481753035 1182551834 /nfs/dbraw/zinc/55/18/34/1182551834.db2.gz NMATWUMVNBGXIP-MRXNPFEDSA-N 2 2 339.430 2.338 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001481753035 1182551838 /nfs/dbraw/zinc/55/18/38/1182551838.db2.gz NMATWUMVNBGXIP-MRXNPFEDSA-N 2 2 339.430 2.338 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1nc2c(o1)CCCC2 ZINC001481824977 1182753351 /nfs/dbraw/zinc/75/33/51/1182753351.db2.gz ZYEIHOVONRPHTB-GOEBONIOSA-N 2 2 348.491 2.022 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1nc2c(o1)CCCC2 ZINC001481824977 1182753361 /nfs/dbraw/zinc/75/33/61/1182753361.db2.gz ZYEIHOVONRPHTB-GOEBONIOSA-N 2 2 348.491 2.022 10 0 EEAELP CC[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001481857465 1182807526 /nfs/dbraw/zinc/80/75/26/1182807526.db2.gz KSZNTSLQTCIKKA-QWRGUYRKSA-N 2 2 333.263 2.021 10 0 EEAELP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001268558822 1183254159 /nfs/dbraw/zinc/25/41/59/1183254159.db2.gz ABEINYJZORNIJR-KVLZDYKBSA-N 2 2 338.455 2.216 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC1=CCCCC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268559573 1183254893 /nfs/dbraw/zinc/25/48/93/1183254893.db2.gz FPNGISUDKCRVEN-VGOKWCNXSA-N 2 2 328.460 2.208 10 0 EEAELP CCCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001482190461 1183598196 /nfs/dbraw/zinc/59/81/96/1183598196.db2.gz MNHKJAZCIPVMJX-IAGOWNOFSA-N 2 2 336.480 2.087 10 0 EEAELP CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001482190461 1183598197 /nfs/dbraw/zinc/59/81/97/1183598197.db2.gz MNHKJAZCIPVMJX-IAGOWNOFSA-N 2 2 336.480 2.087 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCCc2ccccc21)C(=O)Cc1[nH]cc[nH+]1 ZINC001268894193 1183797378 /nfs/dbraw/zinc/79/73/78/1183797378.db2.gz SIFYXYGMOURLCE-QGZVFWFLSA-N 2 2 326.444 2.468 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC(CC[NH2+]CCc2cccs2)CC1 ZINC001269912853 1184711805 /nfs/dbraw/zinc/71/18/05/1184711805.db2.gz AIECNLPJUBCYQC-UHFFFAOYSA-N 2 2 346.500 2.475 10 0 EEAELP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC[C@H]1C[NH2+]CCCF ZINC001270105417 1184851507 /nfs/dbraw/zinc/85/15/07/1184851507.db2.gz NUHMNJIGOYPLDV-KRWDZBQOSA-N 2 2 330.407 2.426 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482297400 1185175288 /nfs/dbraw/zinc/17/52/88/1185175288.db2.gz OHXIRQGOJMIAEU-MRVWCRGKSA-N 2 2 348.397 2.428 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482297400 1185175293 /nfs/dbraw/zinc/17/52/93/1185175293.db2.gz OHXIRQGOJMIAEU-MRVWCRGKSA-N 2 2 348.397 2.428 10 0 EEAELP C[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@H+](CCCCCF)C1 ZINC001270599355 1185195668 /nfs/dbraw/zinc/19/56/68/1185195668.db2.gz FGPCLGXDNGZQDE-YJBOKZPZSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@]1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CC[N@@H+](CCCCCF)C1 ZINC001270599355 1185195669 /nfs/dbraw/zinc/19/56/69/1185195669.db2.gz FGPCLGXDNGZQDE-YJBOKZPZSA-N 2 2 336.455 2.166 10 0 EEAELP C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001482312365 1185291015 /nfs/dbraw/zinc/29/10/15/1185291015.db2.gz GSSDMUSYQNKSLZ-UONOGXRCSA-N 2 2 328.407 2.145 10 0 EEAELP CN(CC[NH2+]CC1CCC(C(F)(F)F)CC1)C(=O)Cn1cc[nH+]c1 ZINC001691634130 1189462026 /nfs/dbraw/zinc/46/20/26/1189462026.db2.gz QMBFRYFRFDPICB-UHFFFAOYSA-N 2 2 346.397 2.300 10 0 EEAELP [NH3+][C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[C@H]1C(F)(F)F ZINC000905717926 1189885387 /nfs/dbraw/zinc/88/53/87/1189885387.db2.gz LQJBKTBAPSQMKT-NEPJUHHUSA-N 2 2 329.370 2.183 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc2ccccc2o1 ZINC001485962850 1193655219 /nfs/dbraw/zinc/65/52/19/1193655219.db2.gz ONDUYRDAFZJORF-CQSZACIVSA-N 2 2 326.400 2.266 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]Cc3cnoc3C)ccn12 ZINC001483466069 1190490165 /nfs/dbraw/zinc/49/01/65/1190490165.db2.gz XUXXWTTWWLQHJG-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001483473902 1190495978 /nfs/dbraw/zinc/49/59/78/1190495978.db2.gz MAIOOUXEGMKJPF-UHFFFAOYSA-N 2 2 345.418 2.410 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2c1c(F)ccc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494899 1190512997 /nfs/dbraw/zinc/51/29/97/1190512997.db2.gz NGEDZOTUUKWVBP-MRXNPFEDSA-N 2 2 348.397 2.356 10 0 EEAELP COCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001486107987 1193684501 /nfs/dbraw/zinc/68/45/01/1193684501.db2.gz GJYPSJRUCZBQQD-PBHICJAKSA-N 2 2 344.459 2.262 10 0 EEAELP COc1ccc(C[NH+]2CC(N(C)C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001483887347 1191109349 /nfs/dbraw/zinc/10/93/49/1191109349.db2.gz DNXBKNWNWYKXKL-UHFFFAOYSA-N 2 2 347.503 2.378 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001484466943 1191371663 /nfs/dbraw/zinc/37/16/63/1191371663.db2.gz YHWYDRHSJIBDAK-DLBZAZTESA-N 2 2 336.455 2.466 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCCCF ZINC001484466943 1191371664 /nfs/dbraw/zinc/37/16/64/1191371664.db2.gz YHWYDRHSJIBDAK-DLBZAZTESA-N 2 2 336.455 2.466 10 0 EEAELP C[C@H](CC(=O)N1CC[C@H](CC[NH2+]CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001484540527 1191406060 /nfs/dbraw/zinc/40/60/60/1191406060.db2.gz DDPFZSPUIRGPFX-AEFFLSMTSA-N 2 2 348.491 2.089 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc3cscn3)ccn12 ZINC001485149235 1191665808 /nfs/dbraw/zinc/66/58/08/1191665808.db2.gz YGWDKXMAWHLZAO-OLZOCXBDSA-N 2 2 343.456 2.396 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001485177161 1191677801 /nfs/dbraw/zinc/67/78/01/1191677801.db2.gz NBIDDLZGVZHMFL-QWHCGFSZSA-N 2 2 335.839 2.005 10 0 EEAELP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)s1 ZINC001486478433 1193992582 /nfs/dbraw/zinc/99/25/82/1193992582.db2.gz WNHAGUOLNWSYMT-ZOODHJKOSA-N 2 2 347.488 2.132 10 0 EEAELP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)s1 ZINC001486478433 1193992584 /nfs/dbraw/zinc/99/25/84/1193992584.db2.gz WNHAGUOLNWSYMT-ZOODHJKOSA-N 2 2 347.488 2.132 10 0 EEAELP COC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001486508543 1194024863 /nfs/dbraw/zinc/02/48/63/1194024863.db2.gz ABDQQWIPYXHBJE-SJLPKXTDSA-N 2 2 348.491 2.254 10 0 EEAELP COC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001486508543 1194024866 /nfs/dbraw/zinc/02/48/66/1194024866.db2.gz ABDQQWIPYXHBJE-SJLPKXTDSA-N 2 2 348.491 2.254 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1Cl)NC(=O)Cc1c[nH+]cn1C ZINC001273122530 1194405286 /nfs/dbraw/zinc/40/52/86/1194405286.db2.gz FQLHWUCPWHPPMH-CYBMUJFWSA-N 2 2 334.851 2.301 10 0 EEAELP Cc1nc(F)ccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000785473323 1195441370 /nfs/dbraw/zinc/44/13/70/1195441370.db2.gz DFOITXMHZFZZRK-LJQANCHMSA-N 2 2 329.419 2.256 10 0 EEAELP Cc1nc(F)ccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000785473323 1195441374 /nfs/dbraw/zinc/44/13/74/1195441374.db2.gz DFOITXMHZFZZRK-LJQANCHMSA-N 2 2 329.419 2.256 10 0 EEAELP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C)[NH+](C)C ZINC001410037839 1197502160 /nfs/dbraw/zinc/50/21/60/1197502160.db2.gz WLXXMOKMWSJKGJ-UONOGXRCSA-N 2 2 338.521 2.118 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)on1 ZINC001410378002 1197772375 /nfs/dbraw/zinc/77/23/75/1197772375.db2.gz LCMMJBOHTRGZEQ-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP Fc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cnc1Cl ZINC000865469590 1198234015 /nfs/dbraw/zinc/23/40/15/1198234015.db2.gz ZZHRQRBWSZPKFP-GFCCVEGCSA-N 2 2 327.831 2.465 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1C ZINC000866411620 1201510887 /nfs/dbraw/zinc/51/08/87/1201510887.db2.gz QWKZXBVMCICKFO-WBVHZDCISA-N 2 2 347.503 2.455 10 0 EEAELP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1C ZINC000866411620 1201510890 /nfs/dbraw/zinc/51/08/90/1201510890.db2.gz QWKZXBVMCICKFO-WBVHZDCISA-N 2 2 347.503 2.455 10 0 EEAELP C[NH+](C)C1(C)CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000868272228 1201780190 /nfs/dbraw/zinc/78/01/90/1201780190.db2.gz FTWVVSXXUOIGBT-UHFFFAOYSA-N 2 2 333.480 2.446 10 0 EEAELP COCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691723395 1204196997 /nfs/dbraw/zinc/19/69/97/1204196997.db2.gz ABKWCBLSFXUYSR-KSSFIOAISA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001274289730 1204987657 /nfs/dbraw/zinc/98/76/57/1204987657.db2.gz PXXGEPOJQRMVHW-YJBOKZPZSA-N 2 2 332.492 2.370 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001274894028 1205202940 /nfs/dbraw/zinc/20/29/40/1205202940.db2.gz FEQYXLPNMLFQEP-RPCWLKAMSA-N 2 2 337.508 2.080 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001274894028 1205202941 /nfs/dbraw/zinc/20/29/41/1205202941.db2.gz FEQYXLPNMLFQEP-RPCWLKAMSA-N 2 2 337.508 2.080 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CCC(F)(F)F)ccn12 ZINC001275156404 1205269379 /nfs/dbraw/zinc/26/93/79/1205269379.db2.gz CIWUKWVZROCTTP-JTQLQIEISA-N 2 2 328.338 2.303 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001275818224 1205549141 /nfs/dbraw/zinc/54/91/41/1205549141.db2.gz VDWWQEOBDYQIRS-NVXWUHKLSA-N 2 2 346.500 2.452 10 0 EEAELP CC[NH+]1CCC(C(=O)N[C@H]2CCn3c[nH+]cc32)(c2ccccc2)CC1 ZINC001412385200 1205710524 /nfs/dbraw/zinc/71/05/24/1205710524.db2.gz PUAUFHHHNIKXSZ-KRWDZBQOSA-N 2 2 338.455 2.498 10 0 EEAELP C[C@@H](CC[NH+](C)C)C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001412545076 1205758728 /nfs/dbraw/zinc/75/87/28/1205758728.db2.gz VGMDOOSPEILYGY-HKMNZKMDSA-N 2 2 329.488 2.432 10 0 EEAELP C[NH+](C)CCc1cccc(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC001412712963 1205840667 /nfs/dbraw/zinc/84/06/67/1205840667.db2.gz SHVJJAUIPRPWJS-SFHVURJKSA-N 2 2 338.455 2.194 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)COc1ccc(F)c(F)c1 ZINC000924969339 1206056352 /nfs/dbraw/zinc/05/63/52/1206056352.db2.gz IPWWOTWUNIFJJH-XWIAVFTESA-N 2 2 340.414 2.311 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)COc1ccc(F)c(F)c1 ZINC000924969339 1206056354 /nfs/dbraw/zinc/05/63/54/1206056354.db2.gz IPWWOTWUNIFJJH-XWIAVFTESA-N 2 2 340.414 2.311 10 0 EEAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COc1cccc(C(F)(F)F)c1 ZINC000925568172 1206129521 /nfs/dbraw/zinc/12/95/21/1206129521.db2.gz MZTQHUZPDHOBIC-HIFRSBDPSA-N 2 2 344.377 2.319 10 0 EEAELP [NH3+][C@@H]1CC[C@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000926029665 1206183575 /nfs/dbraw/zinc/18/35/75/1206183575.db2.gz MBGUNRWHWZAGSC-LSDHHAIUSA-N 2 2 343.431 2.211 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)N[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000926098051 1206191665 /nfs/dbraw/zinc/19/16/65/1206191665.db2.gz XDOIKZATYBLDPH-CQSZACIVSA-N 2 2 344.381 2.012 10 0 EEAELP Cn1cc(CC[NH+]2C[C@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)nn1 ZINC000931224048 1206617369 /nfs/dbraw/zinc/61/73/69/1206617369.db2.gz HLBKDYPOSDEYSL-WOJBJXKFSA-N 2 2 339.487 2.202 10 0 EEAELP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000931719747 1207448033 /nfs/dbraw/zinc/44/80/33/1207448033.db2.gz MTCDBRPZXWIQLC-GVDBMIGSSA-N 2 2 329.444 2.076 10 0 EEAELP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000931719747 1207448037 /nfs/dbraw/zinc/44/80/37/1207448037.db2.gz MTCDBRPZXWIQLC-GVDBMIGSSA-N 2 2 329.444 2.076 10 0 EEAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000931719747 1207448040 /nfs/dbraw/zinc/44/80/40/1207448040.db2.gz MTCDBRPZXWIQLC-GVDBMIGSSA-N 2 2 329.444 2.076 10 0 EEAELP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000931719747 1207448043 /nfs/dbraw/zinc/44/80/43/1207448043.db2.gz MTCDBRPZXWIQLC-GVDBMIGSSA-N 2 2 329.444 2.076 10 0 EEAELP CCCCCC[C@](O)(C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)C(=O)OC ZINC000931718856 1207448345 /nfs/dbraw/zinc/44/83/45/1207448345.db2.gz GCLPORJYZKJBMO-RYRKJORJSA-N 2 2 326.481 2.029 10 0 EEAELP CCCCCC[C@](O)(C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2)C(=O)OC ZINC000931718856 1207448346 /nfs/dbraw/zinc/44/83/46/1207448346.db2.gz GCLPORJYZKJBMO-RYRKJORJSA-N 2 2 326.481 2.029 10 0 EEAELP CCCCCC[C@](O)(C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2)C(=O)OC ZINC000931718856 1207448348 /nfs/dbraw/zinc/44/83/48/1207448348.db2.gz GCLPORJYZKJBMO-RYRKJORJSA-N 2 2 326.481 2.029 10 0 EEAELP CCCCCC[C@](O)(C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2)C(=O)OC ZINC000931718856 1207448350 /nfs/dbraw/zinc/44/83/50/1207448350.db2.gz GCLPORJYZKJBMO-RYRKJORJSA-N 2 2 326.481 2.029 10 0 EEAELP CC[N@@H+]1CCCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900633445 1234589217 /nfs/dbraw/zinc/58/92/17/1234589217.db2.gz MORGOAPUKIGNEX-UHFFFAOYSA-N 2 2 341.459 2.163 10 0 EEAELP CC[N@H+]1CCCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CC1 ZINC000900633445 1234589221 /nfs/dbraw/zinc/58/92/21/1234589221.db2.gz MORGOAPUKIGNEX-UHFFFAOYSA-N 2 2 341.459 2.163 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)/C=C(/C)C[NH+]1CCOCC1)CC(C)C ZINC000900685456 1234657105 /nfs/dbraw/zinc/65/71/05/1234657105.db2.gz TVSYOEDMNRWRIR-MTMYEVCSSA-N 2 2 339.524 2.138 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2cccnc2)C1 ZINC000902953254 1239179808 /nfs/dbraw/zinc/17/98/08/1239179808.db2.gz BUQGUMBHAIMKMN-WOJBJXKFSA-N 2 2 325.456 2.412 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2cccnc2)C1 ZINC000902953254 1239179818 /nfs/dbraw/zinc/17/98/18/1239179818.db2.gz BUQGUMBHAIMKMN-WOJBJXKFSA-N 2 2 325.456 2.412 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439958 1240478290 /nfs/dbraw/zinc/47/82/90/1240478290.db2.gz RLVJSZJXQMNZHE-VYDXJSESSA-N 2 2 331.460 2.262 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1C[C@@H]1C[NH2+]C[C@H]1C ZINC000903439958 1240478295 /nfs/dbraw/zinc/47/82/95/1240478295.db2.gz RLVJSZJXQMNZHE-VYDXJSESSA-N 2 2 331.460 2.262 10 0 EEAELP CC1(C)C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000903555864 1240918772 /nfs/dbraw/zinc/91/87/72/1240918772.db2.gz FDQPBJVHDCDJIK-ZDUSSCGKSA-N 2 2 340.265 2.447 10 0 EEAELP CC1(C)C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1[NH3+] ZINC000903555864 1240918778 /nfs/dbraw/zinc/91/87/78/1240918778.db2.gz FDQPBJVHDCDJIK-ZDUSSCGKSA-N 2 2 340.265 2.447 10 0 EEAELP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC000903879463 1242295606 /nfs/dbraw/zinc/29/56/06/1242295606.db2.gz BLTZQVBYPOUFTA-FUHWJXTLSA-N 2 2 343.500 2.493 10 0 EEAELP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000903879463 1242295614 /nfs/dbraw/zinc/29/56/14/1242295614.db2.gz BLTZQVBYPOUFTA-FUHWJXTLSA-N 2 2 343.500 2.493 10 0 EEAELP COc1ccc(C[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1Cl ZINC000903929859 1242540818 /nfs/dbraw/zinc/54/08/18/1242540818.db2.gz NAIDMSYXJYRMME-AWEZNQCLSA-N 2 2 349.866 2.497 10 0 EEAELP COc1ccc(C[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1Cl ZINC000903929859 1242540831 /nfs/dbraw/zinc/54/08/31/1242540831.db2.gz NAIDMSYXJYRMME-AWEZNQCLSA-N 2 2 349.866 2.497 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)C1 ZINC001491039637 1258595540 /nfs/dbraw/zinc/59/55/40/1258595540.db2.gz OOUSAFMIOVRXFB-IYBDPMFKSA-N 2 2 332.473 2.204 10 0 EEAELP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)co1 ZINC001491082374 1258660175 /nfs/dbraw/zinc/66/01/75/1258660175.db2.gz GEQOFXKSFORJKP-SOLBZPMBSA-N 2 2 342.443 2.023 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(F)(F)F ZINC001491216619 1258795075 /nfs/dbraw/zinc/79/50/75/1258795075.db2.gz JDGYEQMETWTPSW-ZDUSSCGKSA-N 2 2 332.370 2.115 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCC[N@H+]1CCC(F)(F)F ZINC001491216619 1258795081 /nfs/dbraw/zinc/79/50/81/1258795081.db2.gz JDGYEQMETWTPSW-ZDUSSCGKSA-N 2 2 332.370 2.115 10 0 EEAELP CCc1onc(C)c1C[NH2+][C@H](C)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001491506868 1259157803 /nfs/dbraw/zinc/15/78/03/1259157803.db2.gz UYXKVAUGKCPKMZ-LLVKDONJSA-N 2 2 341.415 2.330 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001691706380 1287141622 /nfs/dbraw/zinc/14/16/22/1287141622.db2.gz UUTMYPHRQTYCAK-IYBDPMFKSA-N 2 2 332.492 2.437 10 0 EEAELP CCn1ccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)CC)n1 ZINC001489330315 1290514005 /nfs/dbraw/zinc/51/40/05/1290514005.db2.gz JLABQAGEHQGFKV-SFHVURJKSA-N 2 2 349.523 2.058 10 0 EEAELP CCn1ccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)CC)n1 ZINC001489330315 1290514011 /nfs/dbraw/zinc/51/40/11/1290514011.db2.gz JLABQAGEHQGFKV-SFHVURJKSA-N 2 2 349.523 2.058 10 0 EEAELP CCn1ccc(C[NH+](C)C[C@@H]2CCCCN2C(=O)CC[N@H+](C)CC)n1 ZINC001489330315 1290514012 /nfs/dbraw/zinc/51/40/12/1290514012.db2.gz JLABQAGEHQGFKV-SFHVURJKSA-N 2 2 349.523 2.058 10 0 EEAELP CCn1ccc(C[NH+](C)C[C@@H]2CCCCN2C(=O)CC[N@@H+](C)CC)n1 ZINC001489330315 1290514014 /nfs/dbraw/zinc/51/40/14/1290514014.db2.gz JLABQAGEHQGFKV-SFHVURJKSA-N 2 2 349.523 2.058 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[N@@H+](C)CC[C@@H]2CCOC2)c(C)[nH+]1 ZINC001490229397 1291043925 /nfs/dbraw/zinc/04/39/25/1291043925.db2.gz QQULEQQDLAYMIR-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP Cc1cc(C)c(C(=O)NCCC[N@H+](C)CC[C@@H]2CCOC2)c(C)[nH+]1 ZINC001490229397 1291043938 /nfs/dbraw/zinc/04/39/38/1291043938.db2.gz QQULEQQDLAYMIR-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nccn3C)C2)ccn1 ZINC000856559774 1293567866 /nfs/dbraw/zinc/56/78/66/1293567866.db2.gz ILXMJAOXYVSBPZ-GOSISDBHSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nccn3C)C2)ccn1 ZINC000856559774 1293567868 /nfs/dbraw/zinc/56/78/68/1293567868.db2.gz ILXMJAOXYVSBPZ-GOSISDBHSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nccn3C)C2)ccn1 ZINC000856559774 1293567873 /nfs/dbraw/zinc/56/78/73/1293567873.db2.gz ILXMJAOXYVSBPZ-GOSISDBHSA-N 2 2 343.475 2.309 10 0 EEAELP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nccn3C)C2)ccn1 ZINC000856559774 1293567878 /nfs/dbraw/zinc/56/78/78/1293567878.db2.gz ILXMJAOXYVSBPZ-GOSISDBHSA-N 2 2 343.475 2.309 10 0 EEAELP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000857979410 1293976773 /nfs/dbraw/zinc/97/67/73/1293976773.db2.gz OHQOYBJZPDEOQE-ZWKOTPCHSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(N[C@@H]1CCn2c[nH+]cc21)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000857979410 1293976779 /nfs/dbraw/zinc/97/67/79/1293976779.db2.gz OHQOYBJZPDEOQE-ZWKOTPCHSA-N 2 2 338.455 2.399 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1c(F)cccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001277327610 1302430321 /nfs/dbraw/zinc/43/03/21/1302430321.db2.gz AVSWWUNTUVRKAV-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP CC(C)OCC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001278555502 1317220955 /nfs/dbraw/zinc/22/09/55/1317220955.db2.gz AWMZUKMPWVQDCP-FUHWJXTLSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H]([NH2+]CCCc1ccsc1)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001279046435 1319079298 /nfs/dbraw/zinc/07/92/98/1319079298.db2.gz RBSTXQNDPXYQED-RDJZCZTQSA-N 2 2 346.500 2.404 10 0 EEAELP CN(CCC[NH2+]Cc1cc(F)ccc1Cl)C(=O)Cn1cc[nH+]c1 ZINC001276412056 1321884014 /nfs/dbraw/zinc/88/40/14/1321884014.db2.gz WLANQZMYTNKEAQ-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[C@H]1CCCN(C(=O)CCc2[nH+]ccn2C)[C@@H]1CC[NH2+]CC1CC1 ZINC001264514627 1322719352 /nfs/dbraw/zinc/71/93/52/1322719352.db2.gz CUUMTDPBVQOJQB-DOTOQJQBSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@@H+]1CCCCC(F)(F)F ZINC001264734707 1322795445 /nfs/dbraw/zinc/79/54/45/1322795445.db2.gz ALCDLJLICXWRSM-OLZOCXBDSA-N 2 2 332.370 2.195 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CC[N@H+]1CCCCC(F)(F)F ZINC001264734707 1322795451 /nfs/dbraw/zinc/79/54/51/1322795451.db2.gz ALCDLJLICXWRSM-OLZOCXBDSA-N 2 2 332.370 2.195 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCOC1 ZINC001266228065 1323803928 /nfs/dbraw/zinc/80/39/28/1323803928.db2.gz DIGRXTZUIKAEHT-ZWKOTPCHSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC001266228065 1323803934 /nfs/dbraw/zinc/80/39/34/1323803934.db2.gz DIGRXTZUIKAEHT-ZWKOTPCHSA-N 2 2 348.491 2.061 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](CC[NH2+]C/C=C/Cl)C1 ZINC001280096288 1324084000 /nfs/dbraw/zinc/08/40/00/1324084000.db2.gz USTPGXHGBCFLFE-WNBVEKQHSA-N 2 2 336.867 2.026 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]Cc2ccnc(Cl)c2)C1 ZINC001280242518 1324126903 /nfs/dbraw/zinc/12/69/03/1324126903.db2.gz SDXDFBWKVYURFL-CYBMUJFWSA-N 2 2 347.850 2.029 10 0 EEAELP COCCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001276607069 1324756686 /nfs/dbraw/zinc/75/66/86/1324756686.db2.gz GJGOUSNVLDYJHR-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP COCCCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001276607069 1324756692 /nfs/dbraw/zinc/75/66/92/1324756692.db2.gz GJGOUSNVLDYJHR-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001281956793 1325535579 /nfs/dbraw/zinc/53/55/79/1325535579.db2.gz LTPHNQYUOXKADU-GVDBMIGSSA-N 2 2 330.476 2.413 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001281956793 1325535582 /nfs/dbraw/zinc/53/55/82/1325535582.db2.gz LTPHNQYUOXKADU-GVDBMIGSSA-N 2 2 330.476 2.413 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCC1CCC1 ZINC001283631297 1326171389 /nfs/dbraw/zinc/17/13/89/1326171389.db2.gz VFCSQDROSLKFKU-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@H+](CCc2cccs2)CC1 ZINC001284968951 1326801138 /nfs/dbraw/zinc/80/11/38/1326801138.db2.gz OUOLIDVGTALGSM-UHFFFAOYSA-N 2 2 330.457 2.005 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@@H+](CCc2cccs2)CC1 ZINC001284968951 1326801143 /nfs/dbraw/zinc/80/11/43/1326801143.db2.gz OUOLIDVGTALGSM-UHFFFAOYSA-N 2 2 330.457 2.005 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@H+]1Cc1ccc(F)cn1 ZINC001492171222 1331048582 /nfs/dbraw/zinc/04/85/82/1331048582.db2.gz MFRGOCAXMLABHE-KRWDZBQOSA-N 2 2 345.422 2.047 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@@H+]1Cc1ccc(F)cn1 ZINC001492171222 1331048585 /nfs/dbraw/zinc/04/85/85/1331048585.db2.gz MFRGOCAXMLABHE-KRWDZBQOSA-N 2 2 345.422 2.047 10 0 EEAELP CCOCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317048151 1332059479 /nfs/dbraw/zinc/05/94/79/1332059479.db2.gz PHFRRZXUFDSUJH-CALCHBBNSA-N 2 2 348.491 2.028 10 0 EEAELP CCOCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001317048151 1332059481 /nfs/dbraw/zinc/05/94/81/1332059481.db2.gz PHFRRZXUFDSUJH-CALCHBBNSA-N 2 2 348.491 2.028 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001317186639 1332121216 /nfs/dbraw/zinc/12/12/16/1332121216.db2.gz AEYUCXBIYVDGER-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@H+](CC1=CCCCC1)C1CC1 ZINC001317553783 1332295263 /nfs/dbraw/zinc/29/52/63/1332295263.db2.gz DBLIGCLILBBXNW-UHFFFAOYSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCC[N@@H+](CC1=CCCCC1)C1CC1 ZINC001317553783 1332295265 /nfs/dbraw/zinc/29/52/65/1332295265.db2.gz DBLIGCLILBBXNW-UHFFFAOYSA-N 2 2 330.476 2.434 10 0 EEAELP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001318204752 1332488352 /nfs/dbraw/zinc/48/83/52/1332488352.db2.gz TXYBRSNQIZPTLH-ZOPGNSJXSA-N 2 2 342.487 2.477 10 0 EEAELP CCC/C=C/CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001318204752 1332488354 /nfs/dbraw/zinc/48/83/54/1332488354.db2.gz TXYBRSNQIZPTLH-ZOPGNSJXSA-N 2 2 342.487 2.477 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001318355810 1332515537 /nfs/dbraw/zinc/51/55/37/1332515537.db2.gz KSLMWNZGURALLY-GDBMZVCRSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001318355810 1332515538 /nfs/dbraw/zinc/51/55/38/1332515538.db2.gz KSLMWNZGURALLY-GDBMZVCRSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001318702772 1332580533 /nfs/dbraw/zinc/58/05/33/1332580533.db2.gz OTCHNTBKAZRNIS-KXBFYZLASA-N 2 2 332.492 2.366 10 0 EEAELP COCC[NH2+]C[C@]1(NC(=O)c2cccc3[nH+]ccn32)CCCC[C@H]1C ZINC001318744025 1332586420 /nfs/dbraw/zinc/58/64/20/1332586420.db2.gz JBZYCKYAYKERBP-DNVCBOLYSA-N 2 2 344.459 2.249 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]CC[C@@H]2CCCO2)C1 ZINC001318818635 1332604048 /nfs/dbraw/zinc/60/40/48/1332604048.db2.gz AFIYKOABMMXAPA-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]CC[C@@H]3CCOC3)ccn12 ZINC001319462529 1332705556 /nfs/dbraw/zinc/70/55/56/1332705556.db2.gz XMOLVWRWZYIPKT-GOEBONIOSA-N 2 2 344.459 2.119 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC001319689807 1332742219 /nfs/dbraw/zinc/74/22/19/1332742219.db2.gz FVXHFQRLDCVKKT-IAGOWNOFSA-N 2 2 345.422 2.157 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCCCn2cc[nH+]c2)[C@H]1c1ccc(F)cc1 ZINC001319689807 1332742222 /nfs/dbraw/zinc/74/22/22/1332742222.db2.gz FVXHFQRLDCVKKT-IAGOWNOFSA-N 2 2 345.422 2.157 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)sn1 ZINC001319776871 1332765069 /nfs/dbraw/zinc/76/50/69/1332765069.db2.gz DCOOQAADWLURMT-HNNXBMFYSA-N 2 2 347.488 2.278 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001320169649 1332842611 /nfs/dbraw/zinc/84/26/11/1332842611.db2.gz MWECWKOVKPZXCB-DOTOQJQBSA-N 2 2 344.434 2.209 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC[C@@H]2CC2(Cl)Cl)CC1 ZINC001323601718 1333496357 /nfs/dbraw/zinc/49/63/57/1333496357.db2.gz IIDKBFXXVUKLCS-LLVKDONJSA-N 2 2 345.274 2.083 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001323695391 1333518265 /nfs/dbraw/zinc/51/82/65/1333518265.db2.gz FEKBQKRUWQVGBS-NXHRZFHOSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001323695391 1333518268 /nfs/dbraw/zinc/51/82/68/1333518268.db2.gz FEKBQKRUWQVGBS-NXHRZFHOSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001323695391 1333518271 /nfs/dbraw/zinc/51/82/71/1333518271.db2.gz FEKBQKRUWQVGBS-NXHRZFHOSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001323695391 1333518274 /nfs/dbraw/zinc/51/82/74/1333518274.db2.gz FEKBQKRUWQVGBS-NXHRZFHOSA-N 2 2 348.491 2.080 10 0 EEAELP CCCCOCC[NH+]1CCC2(CCN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC001323832218 1333549736 /nfs/dbraw/zinc/54/97/36/1333549736.db2.gz LTGYAMQKLDJQAG-UHFFFAOYSA-N 2 2 348.491 2.083 10 0 EEAELP O=C(NC[C@H]1CC[C@H](C[NH2+]CCF)CC1)c1cccc2[nH+]ccn21 ZINC001325663159 1333936239 /nfs/dbraw/zinc/93/62/39/1333936239.db2.gz UNQSZDUKVUMHJC-SHTZXODSSA-N 2 2 332.423 2.430 10 0 EEAELP CCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001325943236 1334002781 /nfs/dbraw/zinc/00/27/81/1334002781.db2.gz SSQNKERAKHBSBH-DLBZAZTESA-N 2 2 332.492 2.466 10 0 EEAELP CCCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001325943236 1334002785 /nfs/dbraw/zinc/00/27/85/1334002785.db2.gz SSQNKERAKHBSBH-DLBZAZTESA-N 2 2 332.492 2.466 10 0 EEAELP CC/C=C/CC[NH+]1CC2(C1)C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)CO2 ZINC001327413737 1334288414 /nfs/dbraw/zinc/28/84/14/1334288414.db2.gz XLKWTPIAVKVTAN-SHCNBLLESA-N 2 2 349.519 2.034 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)on1 ZINC001329069421 1334578654 /nfs/dbraw/zinc/57/86/54/1334578654.db2.gz OIZLMCHFACIKJN-NEPJUHHUSA-N 2 2 327.388 2.156 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC001329676367 1334695020 /nfs/dbraw/zinc/69/50/20/1334695020.db2.gz XHZGUXPWPWVYPV-UHFFFAOYSA-N 2 2 345.487 2.123 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCO[C@@H]([C@@H](C)[NH2+]CCCF)C2)c(C)[nH+]1 ZINC001330403988 1334837311 /nfs/dbraw/zinc/83/73/11/1334837311.db2.gz KRHVKHASMABJQY-GDBMZVCRSA-N 2 2 337.439 2.186 10 0 EEAELP CNc1cc(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)cc[nH+]1 ZINC001349263909 1337613409 /nfs/dbraw/zinc/61/34/09/1337613409.db2.gz FIHAKWRWRSFESL-UHFFFAOYSA-N 2 2 341.459 2.445 10 0 EEAELP CNc1cc(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc[nH+]1 ZINC001349263909 1337613412 /nfs/dbraw/zinc/61/34/12/1337613412.db2.gz FIHAKWRWRSFESL-UHFFFAOYSA-N 2 2 341.459 2.445 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001666640350 1355557712 /nfs/dbraw/zinc/55/77/12/1355557712.db2.gz DHDYOBUWZPKRNZ-QWHCGFSZSA-N 2 2 328.407 2.120 10 0 EEAELP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)Cc1c[nH+]cn1C ZINC001670312190 1356316595 /nfs/dbraw/zinc/31/65/95/1356316595.db2.gz DJGVHFRMLGQONC-INIZCTEOSA-N 2 2 328.460 2.470 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCCc1ccccc1 ZINC001567023920 1342682103 /nfs/dbraw/zinc/68/21/03/1342682103.db2.gz CGBCZYPYCLJDKR-DJIMGWMZSA-N 2 2 326.444 2.240 10 0 EEAELP 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/nfs/dbraw/zinc/99/23/17/1342992317.db2.gz BUXOEGXLUMAIEU-OAHLLOKOSA-N 2 2 347.488 2.067 10 0 EEAELP CCOCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570905649 1343138105 /nfs/dbraw/zinc/13/81/05/1343138105.db2.gz XIDAZNQNIANKFK-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001570905649 1343138109 /nfs/dbraw/zinc/13/81/09/1343138109.db2.gz XIDAZNQNIANKFK-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571362110 1343199073 /nfs/dbraw/zinc/19/90/73/1343199073.db2.gz BVBCPAFRLIIIRI-IAGOWNOFSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1cccc(Cl)n1 ZINC001571415052 1343206842 /nfs/dbraw/zinc/20/68/42/1343206842.db2.gz CKBNNZLIRONPLC-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP C[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001677599316 1357368949 /nfs/dbraw/zinc/36/89/49/1357368949.db2.gz YWCGOBKDTRLKOC-UHFFFAOYSA-N 2 2 337.414 2.165 10 0 EEAELP C[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001677599316 1357368956 /nfs/dbraw/zinc/36/89/56/1357368956.db2.gz YWCGOBKDTRLKOC-UHFFFAOYSA-N 2 2 337.414 2.165 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001677621004 1357375793 /nfs/dbraw/zinc/37/57/93/1357375793.db2.gz KSSPHLMUKNYWTE-UHFFFAOYSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001677621004 1357375799 /nfs/dbraw/zinc/37/57/99/1357375799.db2.gz KSSPHLMUKNYWTE-UHFFFAOYSA-N 2 2 330.476 2.291 10 0 EEAELP O=C(NCC[N@H+]1CC=CCC1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001626627124 1352469006 /nfs/dbraw/zinc/46/90/06/1352469006.db2.gz CNBFZDQUKVZPAE-CALCHBBNSA-N 2 2 328.460 2.430 10 0 EEAELP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001626627124 1352469009 /nfs/dbraw/zinc/46/90/09/1352469009.db2.gz CNBFZDQUKVZPAE-CALCHBBNSA-N 2 2 328.460 2.430 10 0 EEAELP Cc1cccc([C@H](C)[N@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001660368068 1354449928 /nfs/dbraw/zinc/44/99/28/1354449928.db2.gz CVFZOANBQCHSRD-INIZCTEOSA-N 2 2 328.460 2.470 10 0 EEAELP Cc1cccc([C@H](C)[N@@H+](C)CCCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001660368068 1354449931 /nfs/dbraw/zinc/44/99/31/1354449931.db2.gz CVFZOANBQCHSRD-INIZCTEOSA-N 2 2 328.460 2.470 10 0 EEAELP CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ncc(Cl)s1)[NH+](C)C ZINC001660372868 1354451763 /nfs/dbraw/zinc/45/17/63/1354451763.db2.gz UKHCYLPNLBNUQA-CQSZACIVSA-N 2 2 346.928 2.321 10 0 EEAELP CC(C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ncc(Cl)s1)[NH+](C)C ZINC001660372868 1354451766 /nfs/dbraw/zinc/45/17/66/1354451766.db2.gz UKHCYLPNLBNUQA-CQSZACIVSA-N 2 2 346.928 2.321 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cccc(F)c1 ZINC001660619102 1354503393 /nfs/dbraw/zinc/50/33/93/1354503393.db2.gz SAHCXDOAWLMZMR-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1cccc(F)c1 ZINC001660619102 1354503396 /nfs/dbraw/zinc/50/33/96/1354503396.db2.gz SAHCXDOAWLMZMR-UHFFFAOYSA-N 2 2 332.423 2.428 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1355573641 /nfs/dbraw/zinc/57/36/41/1355573641.db2.gz VHXPQFWSEANKDD-VGRIIWOTSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C/CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001666708993 1355573645 /nfs/dbraw/zinc/57/36/45/1355573645.db2.gz VHXPQFWSEANKDD-VGRIIWOTSA-N 2 2 337.508 2.034 10 0 EEAELP CCC/C=C/CC[NH+]1CCO[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001666708993 1355573652 /nfs/dbraw/zinc/57/36/52/1355573652.db2.gz VHXPQFWSEANKDD-VGRIIWOTSA-N 2 2 337.508 2.034 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC001667727793 1355798755 /nfs/dbraw/zinc/79/87/55/1355798755.db2.gz LWJFQGBNKUMRHV-WMZOPIPTSA-N 2 2 348.491 2.034 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCOCC1 ZINC001667727793 1355798759 /nfs/dbraw/zinc/79/87/59/1355798759.db2.gz LWJFQGBNKUMRHV-WMZOPIPTSA-N 2 2 348.491 2.034 10 0 EEAELP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001668096425 1355869220 /nfs/dbraw/zinc/86/92/20/1355869220.db2.gz KNLPKEVPGTZNKG-CYZMBNFOSA-N 2 2 326.391 2.043 10 0 EEAELP C[C@@H](CC[NH2+]CC1CC(F)(F)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001668096425 1355869226 /nfs/dbraw/zinc/86/92/26/1355869226.db2.gz KNLPKEVPGTZNKG-CYZMBNFOSA-N 2 2 326.391 2.043 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1cc(F)cc(F)c1 ZINC001668967559 1356058534 /nfs/dbraw/zinc/05/85/34/1356058534.db2.gz XGZAPRAXAHSNEP-UPHRSURJSA-N 2 2 334.370 2.014 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001669063209 1356080013 /nfs/dbraw/zinc/08/00/13/1356080013.db2.gz GPHWQVMSVGMFPH-LIMHQNJXSA-N 2 2 338.455 2.334 10 0 EEAELP COCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001671598508 1356370186 /nfs/dbraw/zinc/37/01/86/1356370186.db2.gz MMGUQPLZBZIHLC-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP COCCCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)Cn1cc[nH+]c1)C2 ZINC001671598508 1356370193 /nfs/dbraw/zinc/37/01/93/1356370193.db2.gz MMGUQPLZBZIHLC-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCCCC(F)(F)F)C1 ZINC001671698645 1356398679 /nfs/dbraw/zinc/39/86/79/1356398679.db2.gz GRBOYSGUGIOALS-AWEZNQCLSA-N 2 2 332.370 2.196 10 0 EEAELP C[C@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001671698645 1356398681 /nfs/dbraw/zinc/39/86/81/1356398681.db2.gz GRBOYSGUGIOALS-AWEZNQCLSA-N 2 2 332.370 2.196 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001672536388 1356548536 /nfs/dbraw/zinc/54/85/36/1356548536.db2.gz AJHRJLRHHKBKAS-HOTGVXAUSA-N 2 2 348.491 2.179 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001672536388 1356548542 /nfs/dbraw/zinc/54/85/42/1356548542.db2.gz AJHRJLRHHKBKAS-HOTGVXAUSA-N 2 2 348.491 2.179 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001673651428 1356727823 /nfs/dbraw/zinc/72/78/23/1356727823.db2.gz VTQQJUQQDXLLBY-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP COCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001673651428 1356727824 /nfs/dbraw/zinc/72/78/24/1356727824.db2.gz VTQQJUQQDXLLBY-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001674242026 1356806510 /nfs/dbraw/zinc/80/65/10/1356806510.db2.gz IIKNIVRHSRWIQZ-OLZOCXBDSA-N 2 2 349.866 2.321 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[C@H](C)[NH2+]Cc1ccnc(Cl)c1 ZINC001674242026 1356806516 /nfs/dbraw/zinc/80/65/16/1356806516.db2.gz IIKNIVRHSRWIQZ-OLZOCXBDSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001674396310 1356826979 /nfs/dbraw/zinc/82/69/79/1356826979.db2.gz DEJKYLDYNSIGTL-SJORKVTESA-N 2 2 336.480 2.230 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001674760574 1356891278 /nfs/dbraw/zinc/89/12/78/1356891278.db2.gz KGYPXFQKNNEIDK-CHWSQXEVSA-N 2 2 349.866 2.084 10 0 EEAELP CCCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001691935072 1404967035 /nfs/dbraw/zinc/96/70/35/1404967035.db2.gz BEMONGFWIRMDAJ-TZMCWYRMSA-N 2 2 346.397 2.369 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](C)CNC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001698755694 1405044881 /nfs/dbraw/zinc/04/48/81/1405044881.db2.gz RFDBFQLDBLRMDH-LLVKDONJSA-N 2 2 327.388 2.015 10 0 EEAELP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001698980955 1405197523 /nfs/dbraw/zinc/19/75/23/1405197523.db2.gz OOQRDXVSXBIVLG-OLZOCXBDSA-N 2 2 347.290 2.197 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699105161 1405259451 /nfs/dbraw/zinc/25/94/51/1405259451.db2.gz DCPWSESGEGKBLL-AWEZNQCLSA-N 2 2 332.423 2.474 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699105161 1405259453 /nfs/dbraw/zinc/25/94/53/1405259453.db2.gz DCPWSESGEGKBLL-AWEZNQCLSA-N 2 2 332.423 2.474 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001699869524 1405534007 /nfs/dbraw/zinc/53/40/07/1405534007.db2.gz UGADDTZJXCDMTK-IBGZPJMESA-N 2 2 344.459 2.203 10 0 EEAELP CCOCC[N@H+]1CCC[C@@](C)(CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001699869524 1405534010 /nfs/dbraw/zinc/53/40/10/1405534010.db2.gz UGADDTZJXCDMTK-IBGZPJMESA-N 2 2 344.459 2.203 10 0 EEAELP C[N@@H+]1CCO[C@@H]([C@@H](NCc2cc(N)cc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000925771564 774284657 /nfs/dbraw/zinc/28/46/57/774284657.db2.gz MZDXWKYRUPKRQV-MSOLQXFVSA-N 2 2 346.862 2.479 10 0 EEAELP C[N@H+]1CCO[C@@H]([C@@H](NCc2cc(N)cc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000925771564 774284658 /nfs/dbraw/zinc/28/46/58/774284658.db2.gz MZDXWKYRUPKRQV-MSOLQXFVSA-N 2 2 346.862 2.479 10 0 EEAELP Cn1nc2c(c1C[NH2+]CCC[N@H+](C)Cc1ccccc1)COCC2 ZINC000921506364 783785314 /nfs/dbraw/zinc/78/53/14/783785314.db2.gz JZVZYQUPIMLIDN-UHFFFAOYSA-N 2 2 328.460 2.105 10 0 EEAELP Cn1nc2c(c1C[NH2+]CCC[N@@H+](C)Cc1ccccc1)COCC2 ZINC000921506364 783785315 /nfs/dbraw/zinc/78/53/15/783785315.db2.gz JZVZYQUPIMLIDN-UHFFFAOYSA-N 2 2 328.460 2.105 10 0 EEAELP CCOC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705936434 784828834 /nfs/dbraw/zinc/82/88/34/784828834.db2.gz XMGWFSBKKRGFLK-SLFFLAALSA-N 2 2 332.488 2.228 10 0 EEAELP CCOC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705936434 784828837 /nfs/dbraw/zinc/82/88/37/784828837.db2.gz XMGWFSBKKRGFLK-SLFFLAALSA-N 2 2 332.488 2.228 10 0 EEAELP CCOC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705936434 784828848 /nfs/dbraw/zinc/82/88/48/784828848.db2.gz XMGWFSBKKRGFLK-SLFFLAALSA-N 2 2 332.488 2.228 10 0 EEAELP CCOC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000705936434 784828858 /nfs/dbraw/zinc/82/88/58/784828858.db2.gz XMGWFSBKKRGFLK-SLFFLAALSA-N 2 2 332.488 2.228 10 0 EEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912918613 788476522 /nfs/dbraw/zinc/47/65/22/788476522.db2.gz GNFDWUOHPLLFSH-ROUUACIJSA-N 2 2 345.512 2.083 10 0 EEAELP O=C(NCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1F ZINC000925394762 793934331 /nfs/dbraw/zinc/93/43/31/793934331.db2.gz BAZPSFVOMIBMMX-JKSUJKDBSA-N 2 2 337.414 2.301 10 0 EEAELP O=C(NCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1c(F)cccc1F ZINC000925394762 793934337 /nfs/dbraw/zinc/93/43/37/793934337.db2.gz BAZPSFVOMIBMMX-JKSUJKDBSA-N 2 2 337.414 2.301 10 0 EEAELP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(Br)n1 ZINC000713834077 794739952 /nfs/dbraw/zinc/73/99/52/794739952.db2.gz IIIVEPJQMYCFCQ-UHFFFAOYSA-N 2 2 341.297 2.490 10 0 EEAELP C[C@H]1[C@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCN1C ZINC000922558806 801293250 /nfs/dbraw/zinc/29/32/50/801293250.db2.gz WYFXLOJAHKTKDZ-WMLDXEAASA-N 2 2 336.911 2.274 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1CC[NH2+]Cc1nccs1 ZINC001565943446 1125470199 /nfs/dbraw/zinc/47/01/99/1125470199.db2.gz RBUFWOFIXDHEAA-CABCVRRESA-N 2 2 347.488 2.147 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCc2ccccc21 ZINC001566503139 1125670578 /nfs/dbraw/zinc/67/05/78/1125670578.db2.gz MQDOCSGKPVOPDG-QGZVFWFLSA-N 2 2 326.444 2.468 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@@H]1CCCc2ccccc21 ZINC001566503139 1125670582 /nfs/dbraw/zinc/67/05/82/1125670582.db2.gz MQDOCSGKPVOPDG-QGZVFWFLSA-N 2 2 326.444 2.468 10 0 EEAELP Cc1cccc(C)c1C[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001566508970 1125678170 /nfs/dbraw/zinc/67/81/70/1125678170.db2.gz XGKDSECGXORURL-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001566508970 1125678171 /nfs/dbraw/zinc/67/81/71/1125678171.db2.gz XGKDSECGXORURL-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP CCO[C@H](C[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1)C1CC1 ZINC001436665217 1088098311 /nfs/dbraw/zinc/09/83/11/1088098311.db2.gz BAEMYIFXAASVBB-GOSISDBHSA-N 2 2 348.491 2.011 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)c(C)s1 ZINC001436832499 1088447711 /nfs/dbraw/zinc/44/77/11/1088447711.db2.gz KIFABNPNLQEDHY-INIZCTEOSA-N 2 2 332.473 2.246 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001436928484 1088595245 /nfs/dbraw/zinc/59/52/45/1088595245.db2.gz PFEGUUUATWNPKO-QAQDUYKDSA-N 2 2 330.476 2.480 10 0 EEAELP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001437336660 1089526840 /nfs/dbraw/zinc/52/68/40/1089526840.db2.gz PXRTVGISOARHMV-FUHWJXTLSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001437336660 1089526850 /nfs/dbraw/zinc/52/68/50/1089526850.db2.gz PXRTVGISOARHMV-FUHWJXTLSA-N 2 2 332.492 2.414 10 0 EEAELP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1oc(C)nc1C ZINC001437615563 1090123940 /nfs/dbraw/zinc/12/39/40/1090123940.db2.gz JXTNDBHFYBHPLP-UHFFFAOYSA-N 2 2 336.480 2.104 10 0 EEAELP CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1oc(C)nc1C ZINC001437615563 1090123943 /nfs/dbraw/zinc/12/39/43/1090123943.db2.gz JXTNDBHFYBHPLP-UHFFFAOYSA-N 2 2 336.480 2.104 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)c(C)s1 ZINC001437706175 1090252264 /nfs/dbraw/zinc/25/22/64/1090252264.db2.gz YVXZWCSDJGTIRS-HNNXBMFYSA-N 2 2 338.521 2.181 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H]2CNC(=O)C[N@H+](C)C(C)C)c(C)s1 ZINC001437706175 1090252269 /nfs/dbraw/zinc/25/22/69/1090252269.db2.gz YVXZWCSDJGTIRS-HNNXBMFYSA-N 2 2 338.521 2.181 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c(C)s1 ZINC001437706175 1090252272 /nfs/dbraw/zinc/25/22/72/1090252272.db2.gz YVXZWCSDJGTIRS-HNNXBMFYSA-N 2 2 338.521 2.181 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c(C)s1 ZINC001437706175 1090252277 /nfs/dbraw/zinc/25/22/77/1090252277.db2.gz YVXZWCSDJGTIRS-HNNXBMFYSA-N 2 2 338.521 2.181 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001438313075 1090792104 /nfs/dbraw/zinc/79/21/04/1090792104.db2.gz XVCRPKGFOVCCTO-ARFHVFGLSA-N 2 2 330.407 2.337 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001438313075 1090792106 /nfs/dbraw/zinc/79/21/06/1090792106.db2.gz XVCRPKGFOVCCTO-ARFHVFGLSA-N 2 2 330.407 2.337 10 0 EEAELP Cc1ncc(C[NH2+]C[C@]2(NC(=O)Cc3c[nH]c[nH+]3)CCCC[C@@H]2C)o1 ZINC001438434893 1090936438 /nfs/dbraw/zinc/93/64/38/1090936438.db2.gz ZHBOUVONSNBUMK-SCLBCKFNSA-N 2 2 345.447 2.104 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1ccc(F)cc1F ZINC001438502189 1090996273 /nfs/dbraw/zinc/99/62/73/1090996273.db2.gz ICMDAUYFMJRZFM-KCPJHIHWSA-N 2 2 348.397 2.334 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]Cc1ccc(F)cc1F ZINC001438502189 1090996278 /nfs/dbraw/zinc/99/62/78/1090996278.db2.gz ICMDAUYFMJRZFM-KCPJHIHWSA-N 2 2 348.397 2.334 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001438689417 1091191546 /nfs/dbraw/zinc/19/15/46/1091191546.db2.gz LMFJWMBZOZGVJJ-USXIJHARSA-N 2 2 326.444 2.160 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001445618360 1091413448 /nfs/dbraw/zinc/41/34/48/1091413448.db2.gz PZDCJQGHEIJXIH-STQMWFEESA-N 2 2 336.386 2.407 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001439128060 1091772793 /nfs/dbraw/zinc/77/27/93/1091772793.db2.gz JNNFJEPJOPFJOY-NVXWUHKLSA-N 2 2 326.444 2.048 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445859700 1091778443 /nfs/dbraw/zinc/77/84/43/1091778443.db2.gz YDZHGTGOZODPMG-CABCVRRESA-N 2 2 344.459 2.169 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445859700 1091778449 /nfs/dbraw/zinc/77/84/49/1091778449.db2.gz YDZHGTGOZODPMG-CABCVRRESA-N 2 2 344.459 2.169 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001439240038 1091886998 /nfs/dbraw/zinc/88/69/98/1091886998.db2.gz QXPPCVNRSTUFFL-YOEHRIQHSA-N 2 2 326.444 2.135 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C[NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001445957569 1091904685 /nfs/dbraw/zinc/90/46/85/1091904685.db2.gz GLQUMRJJTUAZNW-QGZVFWFLSA-N 2 2 348.397 2.154 10 0 EEAELP Cc1ccncc1C[NH2+]C[C@@H](NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001445978862 1091938020 /nfs/dbraw/zinc/93/80/20/1091938020.db2.gz JSOMWQLEIFYTDF-CRAIPNDOSA-N 2 2 341.459 2.222 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cnc(C)o1 ZINC001439325576 1092001469 /nfs/dbraw/zinc/00/14/69/1092001469.db2.gz KRPHCXLSCOPNHG-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cnc(C)o1 ZINC001439325576 1092001479 /nfs/dbraw/zinc/00/14/79/1092001479.db2.gz KRPHCXLSCOPNHG-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1conc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001446173838 1092234066 /nfs/dbraw/zinc/23/40/66/1092234066.db2.gz BQPXWSIXUPAPDD-QGZVFWFLSA-N 2 2 346.475 2.128 10 0 EEAELP Cc1conc1C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001446173838 1092234074 /nfs/dbraw/zinc/23/40/74/1092234074.db2.gz BQPXWSIXUPAPDD-QGZVFWFLSA-N 2 2 346.475 2.128 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001446278474 1092429593 /nfs/dbraw/zinc/42/95/93/1092429593.db2.gz JPHCOBKEQVAKOU-SFHVURJKSA-N 2 2 338.455 2.279 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](C[C@@H]1CCOC1)C1CCCCCC1 ZINC001439691994 1092640653 /nfs/dbraw/zinc/64/06/53/1092640653.db2.gz 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MEQUTYIBRFACOA-IEBWSBKVSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001501891323 1113512697 /nfs/dbraw/zinc/51/26/97/1113512697.db2.gz XISXIIFPNDWVIX-DOTOQJQBSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@@H]1C[NH2+]CCOC1CCC1 ZINC001501891323 1113512700 /nfs/dbraw/zinc/51/27/00/1113512700.db2.gz XISXIIFPNDWVIX-DOTOQJQBSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H](CC(=O)N1CCO[C@@H](C[NH2+]CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001502079023 1113579329 /nfs/dbraw/zinc/57/93/29/1113579329.db2.gz JANHYMRJMYNJHA-WMZOPIPTSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](CC(=O)N1CCO[C@H](C[NH2+]CCC2CCCC2)C1)n1cc[nH+]c1 ZINC001502079021 1113579510 /nfs/dbraw/zinc/57/95/10/1113579510.db2.gz JANHYMRJMYNJHA-FUHWJXTLSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H](F)CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1[nH]cc[nH+]1 ZINC001505416429 1113950239 /nfs/dbraw/zinc/95/02/39/1113950239.db2.gz IVJNYQHHDBXNHO-CDHAZOANSA-N 2 2 330.407 2.072 10 0 EEAELP 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EEAELP Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000187793119 236302727 /nfs/dbraw/zinc/30/27/27/236302727.db2.gz MEWBINUKJMRNIS-MRXNPFEDSA-N 2 2 326.444 2.468 10 0 EEAELP FC(F)Oc1ccccc1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423069541 240350458 /nfs/dbraw/zinc/35/04/58/240350458.db2.gz LXZAAPZIOSAVGB-CVEARBPZSA-N 2 2 326.387 2.187 10 0 EEAELP Fc1ccc(Br)cc1C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422802415 240234351 /nfs/dbraw/zinc/23/43/51/240234351.db2.gz BHYHXSYQBLMTTF-CABCVRRESA-N 2 2 343.240 2.445 10 0 EEAELP O=C(Nc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1)C1CCC1 ZINC000422809586 240236894 /nfs/dbraw/zinc/23/68/94/240236894.db2.gz SFLQVBMHDFZSRI-OALUTQOASA-N 2 2 343.471 2.282 10 0 EEAELP O=C(Nc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1)C1CCC1 ZINC000422809587 240239812 /nfs/dbraw/zinc/23/98/12/240239812.db2.gz SFLQVBMHDFZSRI-RBUKOAKNSA-N 2 2 343.471 2.282 10 0 EEAELP Brc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422939181 240299050 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QSFYZTCZWHXSAN-SFHVURJKSA-N 2 2 345.487 2.060 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000111231012 220117521 /nfs/dbraw/zinc/11/75/21/220117521.db2.gz QSFYZTCZWHXSAN-SFHVURJKSA-N 2 2 345.487 2.060 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000175350090 255854875 /nfs/dbraw/zinc/85/48/75/255854875.db2.gz PGRUARCTVWGCNZ-UHFFFAOYSA-N 2 2 335.496 2.459 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000195248627 256008665 /nfs/dbraw/zinc/00/86/65/256008665.db2.gz YMTRQLJJIZZODA-YPMHNXCESA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000195248627 256008666 /nfs/dbraw/zinc/00/86/66/256008666.db2.gz YMTRQLJJIZZODA-YPMHNXCESA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000195248627 256008668 /nfs/dbraw/zinc/00/86/68/256008668.db2.gz YMTRQLJJIZZODA-YPMHNXCESA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000195248627 256008670 /nfs/dbraw/zinc/00/86/70/256008670.db2.gz YMTRQLJJIZZODA-YPMHNXCESA-N 2 2 337.411 2.128 10 0 EEAELP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000154869769 224318915 /nfs/dbraw/zinc/31/89/15/224318915.db2.gz JLPATYLAUZJZJG-CQSZACIVSA-N 2 2 349.475 2.415 10 0 EEAELP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000177786047 140853698 /nfs/dbraw/zinc/85/36/98/140853698.db2.gz INNRXDSZKGFIJU-UHFFFAOYSA-N 2 2 341.459 2.352 10 0 EEAELP CC[C@H]1COCC[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000115741114 152037711 /nfs/dbraw/zinc/03/77/11/152037711.db2.gz PSRVUUDAZSITOU-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP CC[C@H]1COCC[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000115741114 152037718 /nfs/dbraw/zinc/03/77/18/152037718.db2.gz PSRVUUDAZSITOU-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP COc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000172751142 152116188 /nfs/dbraw/zinc/11/61/88/152116188.db2.gz MKCOVFGAUUYKBH-UHFFFAOYSA-N 2 2 345.487 2.375 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1Cl ZINC000262994641 152352851 /nfs/dbraw/zinc/35/28/51/152352851.db2.gz OELABDFJRODCER-CHWSQXEVSA-N 2 2 331.794 2.056 10 0 EEAELP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357770287 153336360 /nfs/dbraw/zinc/33/63/60/153336360.db2.gz FEXIPALOHBAWIW-CABCVRRESA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357770287 153336363 /nfs/dbraw/zinc/33/63/63/153336363.db2.gz FEXIPALOHBAWIW-CABCVRRESA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357770287 153336367 /nfs/dbraw/zinc/33/63/67/153336367.db2.gz FEXIPALOHBAWIW-CABCVRRESA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357770287 153336374 /nfs/dbraw/zinc/33/63/74/153336374.db2.gz FEXIPALOHBAWIW-CABCVRRESA-N 2 2 333.480 2.221 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000104946016 159293496 /nfs/dbraw/zinc/29/34/96/159293496.db2.gz MLELUHZFHZEWOH-OAHLLOKOSA-N 2 2 346.393 2.471 10 0 EEAELP CCO[C@H]1C[C@](CO)([NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000188903414 160132202 /nfs/dbraw/zinc/13/22/02/160132202.db2.gz SOOOOFKORSMYFY-AZUAARDMSA-N 2 2 347.503 2.202 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000192007852 160165104 /nfs/dbraw/zinc/16/51/04/160165104.db2.gz MXGDDUVSLVSNGM-IBGZPJMESA-N 2 2 337.427 2.278 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000192007852 160165105 /nfs/dbraw/zinc/16/51/05/160165105.db2.gz MXGDDUVSLVSNGM-IBGZPJMESA-N 2 2 337.427 2.278 10 0 EEAELP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000342001020 161030891 /nfs/dbraw/zinc/03/08/91/161030891.db2.gz BMHGGJNIESYAIA-NVXWUHKLSA-N 2 2 326.444 2.390 10 0 EEAELP CC[N@H+]1CC[C@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000342001020 161030892 /nfs/dbraw/zinc/03/08/92/161030892.db2.gz BMHGGJNIESYAIA-NVXWUHKLSA-N 2 2 326.444 2.390 10 0 EEAELP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)CC2)cs1 ZINC000344360105 161220073 /nfs/dbraw/zinc/22/00/73/161220073.db2.gz PFCIIOXVHPLUAU-RHSMWYFYSA-N 3 2 336.549 2.457 10 0 EEAELP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000344360105 161220074 /nfs/dbraw/zinc/22/00/74/161220074.db2.gz PFCIIOXVHPLUAU-RHSMWYFYSA-N 3 2 336.549 2.457 10 0 EEAELP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1O ZINC000355649623 163258739 /nfs/dbraw/zinc/25/87/39/163258739.db2.gz LVRNSUMDVRTKLI-UHFFFAOYSA-N 2 2 329.400 2.127 10 0 EEAELP c1ccc(C[N@H+]2CC[C@@H](N3CCCC[C@@H]3C[NH+]3CCOCC3)C2)cc1 ZINC000355660287 163262577 /nfs/dbraw/zinc/26/25/77/163262577.db2.gz AUFZMVOROGAIML-NHCUHLMSSA-N 2 2 343.515 2.448 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@@H](N3CCCC[C@@H]3C[NH+]3CCOCC3)C2)cc1 ZINC000355660287 163262578 /nfs/dbraw/zinc/26/25/78/163262578.db2.gz AUFZMVOROGAIML-NHCUHLMSSA-N 2 2 343.515 2.448 10 0 EEAELP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000355784225 163300017 /nfs/dbraw/zinc/30/00/17/163300017.db2.gz OPFCGLBJRNOXAZ-KURKYZTESA-N 2 2 344.503 2.487 10 0 EEAELP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000355784225 163300021 /nfs/dbraw/zinc/30/00/21/163300021.db2.gz OPFCGLBJRNOXAZ-KURKYZTESA-N 2 2 344.503 2.487 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)NCCC1CC[NH+](C)CC1)C2 ZINC000364778967 165268324 /nfs/dbraw/zinc/26/83/24/165268324.db2.gz QGXYVKBQSSIABU-OAHLLOKOSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)NCCC1CC[NH+](C)CC1)CC2 ZINC000364778967 165268329 /nfs/dbraw/zinc/26/83/29/165268329.db2.gz QGXYVKBQSSIABU-OAHLLOKOSA-N 2 2 332.492 2.486 10 0 EEAELP Cc1ccccc1SCC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274594 166227343 /nfs/dbraw/zinc/22/73/43/166227343.db2.gz QMGLXJRGVSUFNP-MRXNPFEDSA-N 2 2 347.528 2.372 10 0 EEAELP Cc1ccccc1SCC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274594 166227344 /nfs/dbraw/zinc/22/73/44/166227344.db2.gz QMGLXJRGVSUFNP-MRXNPFEDSA-N 2 2 347.528 2.372 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123383478 222267842 /nfs/dbraw/zinc/26/78/42/222267842.db2.gz ZTLSMMCNHISFOF-WBVHZDCISA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123383478 222267847 /nfs/dbraw/zinc/26/78/47/222267847.db2.gz ZTLSMMCNHISFOF-WBVHZDCISA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123383478 222267849 /nfs/dbraw/zinc/26/78/49/222267849.db2.gz ZTLSMMCNHISFOF-WBVHZDCISA-N 2 2 333.476 2.116 10 0 EEAELP CCOc1cccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123383478 222267851 /nfs/dbraw/zinc/26/78/51/222267851.db2.gz ZTLSMMCNHISFOF-WBVHZDCISA-N 2 2 333.476 2.116 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000270311769 278222250 /nfs/dbraw/zinc/22/22/50/278222250.db2.gz VKJRNJVANVAPSW-PVAVHDDUSA-N 2 2 327.432 2.016 10 0 EEAELP C[C@H](Cn1cc[nH+]c1)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000270311769 278222252 /nfs/dbraw/zinc/22/22/52/278222252.db2.gz VKJRNJVANVAPSW-PVAVHDDUSA-N 2 2 327.432 2.016 10 0 EEAELP CCc1[nH+]ccn1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000158340398 311326998 /nfs/dbraw/zinc/32/69/98/311326998.db2.gz YJFIGCHUXCTUDM-INIZCTEOSA-N 2 2 326.444 2.351 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](CF)C2)CC1 ZINC000414467254 313028291 /nfs/dbraw/zinc/02/82/91/313028291.db2.gz DFZXOJXGMOVIAD-SFHVURJKSA-N 2 2 335.467 2.389 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](CF)C2)CC1 ZINC000414467254 313028296 /nfs/dbraw/zinc/02/82/96/313028296.db2.gz DFZXOJXGMOVIAD-SFHVURJKSA-N 2 2 335.467 2.389 10 0 EEAELP COC[C@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC[NH2+]1 ZINC000414949134 313113310 /nfs/dbraw/zinc/11/33/10/313113310.db2.gz YWKCGZUDKXAEOQ-CQSZACIVSA-N 2 2 331.229 2.446 10 0 EEAELP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000416941106 313367895 /nfs/dbraw/zinc/36/78/95/313367895.db2.gz QDHHNRKSHCXECS-NEPJUHHUSA-N 2 2 335.839 2.257 10 0 EEAELP Cc1ccn2cc(CNC(=O)N(C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)[nH+]c2c1 ZINC000417247750 313463128 /nfs/dbraw/zinc/46/31/28/313463128.db2.gz WEWVADRDXRNDSK-MZBDJJRSSA-N 2 2 327.432 2.067 10 0 EEAELP Cc1[nH+]c2ccccc2n1C1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418721114 313888679 /nfs/dbraw/zinc/88/86/79/313888679.db2.gz KJRHEQJGPNWAPU-QWHCGFSZSA-N 2 2 329.448 2.427 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000438996847 315062609 /nfs/dbraw/zinc/06/26/09/315062609.db2.gz FPMOCFMVXBMYAG-PBHICJAKSA-N 2 2 349.475 2.415 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000438996847 315062610 /nfs/dbraw/zinc/06/26/10/315062610.db2.gz FPMOCFMVXBMYAG-PBHICJAKSA-N 2 2 349.475 2.415 10 0 EEAELP O=C(C[N@@H+]1CCCC12CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000444780435 315324672 /nfs/dbraw/zinc/32/46/72/315324672.db2.gz FDZJFMMYKKSQGA-UHFFFAOYSA-N 2 2 327.472 2.349 10 0 EEAELP O=C(C[N@H+]1CCCC12CCC2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000444780435 315324676 /nfs/dbraw/zinc/32/46/76/315324676.db2.gz FDZJFMMYKKSQGA-UHFFFAOYSA-N 2 2 327.472 2.349 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000528036157 317307191 /nfs/dbraw/zinc/30/71/91/317307191.db2.gz ONRJBRPJZBGWFB-HZPDHXFCSA-N 2 2 342.443 2.439 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C)c1 ZINC000540395056 318073861 /nfs/dbraw/zinc/07/38/61/318073861.db2.gz HNLJIQPXZBOABJ-AEFFLSMTSA-N 2 2 347.484 2.408 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000565156033 319153674 /nfs/dbraw/zinc/15/36/74/319153674.db2.gz HDLLWDGGPOEXDG-INIZCTEOSA-N 2 2 343.475 2.277 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)n1 ZINC000565156033 319153676 /nfs/dbraw/zinc/15/36/76/319153676.db2.gz HDLLWDGGPOEXDG-INIZCTEOSA-N 2 2 343.475 2.277 10 0 EEAELP C[C@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000571300409 319743383 /nfs/dbraw/zinc/74/33/83/319743383.db2.gz BDLUTMCYESJZEN-RYUDHWBXSA-N 2 2 335.839 2.175 10 0 EEAELP O[C@H](CNc1ccc([NH2+]CC2CCCC2)cc1)C[NH+]1CCOCC1 ZINC000577503308 320259310 /nfs/dbraw/zinc/25/93/10/320259310.db2.gz XQYBFUUJCHJZIL-LJQANCHMSA-N 2 2 333.476 2.394 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC1(c2ccccc2)CCC1 ZINC000581429889 324252726 /nfs/dbraw/zinc/25/27/26/324252726.db2.gz NNFYNPORQPLSHH-LJQANCHMSA-N 2 2 327.472 2.258 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC1(c2ccccc2)CCC1 ZINC000581429889 324252728 /nfs/dbraw/zinc/25/27/28/324252728.db2.gz NNFYNPORQPLSHH-LJQANCHMSA-N 2 2 327.472 2.258 10 0 EEAELP CCN(CC)C(=O)C[NH+]1CCC(Nc2cc[nH+]c(C3CC3)n2)CC1 ZINC000631320404 451694231 /nfs/dbraw/zinc/69/42/31/451694231.db2.gz SZCNBQPRMRSBCA-UHFFFAOYSA-N 2 2 331.464 2.099 10 0 EEAELP CC[C@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@@H+]1CCO[C@@H](CC)C1 ZINC000339287883 465191024 /nfs/dbraw/zinc/19/10/24/465191024.db2.gz RTRPGOPAFZVSPV-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@H](C(=O)NCCC1CC[NH+](CC)CC1)[N@H+]1CCO[C@@H](CC)C1 ZINC000339287883 465191030 /nfs/dbraw/zinc/19/10/30/465191030.db2.gz RTRPGOPAFZVSPV-ZWKOTPCHSA-N 2 2 339.524 2.114 10 0 EEAELP CN(C)c1nc(N2CC[NH+](Cc3cnc4ccccc4c3)CC2)cc[nH+]1 ZINC000337167619 465224749 /nfs/dbraw/zinc/22/47/49/465224749.db2.gz CMRJKYBUUHIXOV-UHFFFAOYSA-N 2 2 348.454 2.413 10 0 EEAELP COC(=O)[C@@H](CC(C)C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351845560 465395730 /nfs/dbraw/zinc/39/57/30/465395730.db2.gz UFJOZZSBYXBTIP-FGTMMUONSA-N 2 2 339.524 2.065 10 0 EEAELP COC(=O)[C@@H](CC(C)C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351845560 465395733 /nfs/dbraw/zinc/39/57/33/465395733.db2.gz UFJOZZSBYXBTIP-FGTMMUONSA-N 2 2 339.524 2.065 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000074535358 462611821 /nfs/dbraw/zinc/61/18/21/462611821.db2.gz IKBBNLBLNASWDR-MRXNPFEDSA-N 2 2 333.480 2.309 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000120236262 462976794 /nfs/dbraw/zinc/97/67/94/462976794.db2.gz WGVVJGZAAJYXTB-UHFFFAOYSA-N 2 2 347.438 2.316 10 0 EEAELP COc1ccc(C(=O)N2CCC[N@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000097034124 463307098 /nfs/dbraw/zinc/30/70/98/463307098.db2.gz RDWZGHAVQOMSIA-UHFFFAOYSA-N 2 2 342.443 2.130 10 0 EEAELP COc1ccc(C(=O)N2CCC[N@@H+](CCCn3cc[nH+]c3)CC2)cc1 ZINC000097034124 463307103 /nfs/dbraw/zinc/30/71/03/463307103.db2.gz RDWZGHAVQOMSIA-UHFFFAOYSA-N 2 2 342.443 2.130 10 0 EEAELP Cc1nn(CCO)c(C)c1C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000097159933 463339060 /nfs/dbraw/zinc/33/90/60/463339060.db2.gz DSFGYKLQXAARRK-UHFFFAOYSA-N 2 2 339.443 2.027 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000151290699 463508151 /nfs/dbraw/zinc/50/81/51/463508151.db2.gz RTFKRAKEHPPVTE-YJBOKZPZSA-N 2 2 347.459 2.141 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000151321542 463513185 /nfs/dbraw/zinc/51/31/85/463513185.db2.gz ZPJUEVYJTVLTHT-PXNSSMCTSA-N 2 2 342.487 2.429 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@H]3CCC[N@H+](C)C3)c[nH+]2)CC1 ZINC000057820554 463521088 /nfs/dbraw/zinc/52/10/88/463521088.db2.gz GPXLJMRTUGSTML-KRWDZBQOSA-N 2 2 345.491 2.211 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@H]3CCC[N@@H+](C)C3)c[nH+]2)CC1 ZINC000057820554 463521093 /nfs/dbraw/zinc/52/10/93/463521093.db2.gz GPXLJMRTUGSTML-KRWDZBQOSA-N 2 2 345.491 2.211 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177611107 463748702 /nfs/dbraw/zinc/74/87/02/463748702.db2.gz MNZVLGYFIVFXNX-UHFFFAOYSA-N 2 2 329.448 2.256 10 0 EEAELP C[C@]1(C[NH+]2CCN(Cc3ncc(-c4ccccc4)o3)CC2)CC[NH2+]C1 ZINC000261705481 463833885 /nfs/dbraw/zinc/83/38/85/463833885.db2.gz CXEPHMMXPSUKOW-FQEVSTJZSA-N 2 2 340.471 2.459 10 0 EEAELP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261922821 463901309 /nfs/dbraw/zinc/90/13/09/463901309.db2.gz KQCPTGHWVQFCKZ-HOTGVXAUSA-N 3 2 334.533 2.429 10 0 EEAELP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261922821 463901317 /nfs/dbraw/zinc/90/13/17/463901317.db2.gz KQCPTGHWVQFCKZ-HOTGVXAUSA-N 3 2 334.533 2.429 10 0 EEAELP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300462 464035153 /nfs/dbraw/zinc/03/51/53/464035153.db2.gz OFUBTYOTVIDZNC-FUHWJXTLSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300462 464035157 /nfs/dbraw/zinc/03/51/57/464035157.db2.gz OFUBTYOTVIDZNC-FUHWJXTLSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300462 464035163 /nfs/dbraw/zinc/03/51/63/464035163.db2.gz OFUBTYOTVIDZNC-FUHWJXTLSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300462 464035166 /nfs/dbraw/zinc/03/51/66/464035166.db2.gz OFUBTYOTVIDZNC-FUHWJXTLSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263194724 464060160 /nfs/dbraw/zinc/06/01/60/464060160.db2.gz IHOLTLVFRSAVCO-BBRMVZONSA-N 2 2 337.414 2.325 10 0 EEAELP CC[N@@H+]1CC[C@H](CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000279792331 464148364 /nfs/dbraw/zinc/14/83/64/464148364.db2.gz CRDUXOVERRDVSZ-GFCCVEGCSA-N 2 2 336.386 2.081 10 0 EEAELP CC[N@H+]1CC[C@H](CNC(=O)Cn2c(C)[nH+]c3cc(F)c(F)cc32)C1 ZINC000279792331 464148372 /nfs/dbraw/zinc/14/83/72/464148372.db2.gz CRDUXOVERRDVSZ-GFCCVEGCSA-N 2 2 336.386 2.081 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243412 464170830 /nfs/dbraw/zinc/17/08/30/464170830.db2.gz WXMZLMCKEGJKBV-MJGOQNOKSA-N 2 2 331.435 2.349 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243412 464170835 /nfs/dbraw/zinc/17/08/35/464170835.db2.gz WXMZLMCKEGJKBV-MJGOQNOKSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243412 464170838 /nfs/dbraw/zinc/17/08/38/464170838.db2.gz WXMZLMCKEGJKBV-MJGOQNOKSA-N 2 2 331.435 2.349 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3CCCN(c4ccccc4F)C3=O)C2)C1 ZINC000292243412 464170840 /nfs/dbraw/zinc/17/08/40/464170840.db2.gz WXMZLMCKEGJKBV-MJGOQNOKSA-N 2 2 331.435 2.349 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000263849953 464215416 /nfs/dbraw/zinc/21/54/16/464215416.db2.gz RVADOQCVLAVBMJ-ZDUSSCGKSA-N 2 2 330.436 2.140 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000236914911 464236913 /nfs/dbraw/zinc/23/69/13/464236913.db2.gz DOIJYCFUTRNXFB-WBMJQRKESA-N 2 2 325.403 2.173 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000236914911 464236922 /nfs/dbraw/zinc/23/69/22/464236922.db2.gz DOIJYCFUTRNXFB-WBMJQRKESA-N 2 2 325.403 2.173 10 0 EEAELP [NH3+]C1(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CCCC1 ZINC000237942006 464407681 /nfs/dbraw/zinc/40/76/81/464407681.db2.gz UQRONUSFIDONNX-CYBMUJFWSA-N 2 2 337.414 2.317 10 0 EEAELP [NH3+]C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CCCC1 ZINC000237942006 464407688 /nfs/dbraw/zinc/40/76/88/464407688.db2.gz UQRONUSFIDONNX-CYBMUJFWSA-N 2 2 337.414 2.317 10 0 EEAELP Cc1nc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nc2ccccc12 ZINC000174717314 464441841 /nfs/dbraw/zinc/44/18/41/464441841.db2.gz DXZPTNGWNHEOSW-UHFFFAOYSA-N 2 2 327.476 2.008 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)nc2ccccc12 ZINC000174717314 464441846 /nfs/dbraw/zinc/44/18/46/464441846.db2.gz DXZPTNGWNHEOSW-UHFFFAOYSA-N 2 2 327.476 2.008 10 0 EEAELP Cc1nocc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000294648674 464563594 /nfs/dbraw/zinc/56/35/94/464563594.db2.gz KRWRYWXDEUZAOK-HXUWFJFHSA-N 2 2 340.471 2.375 10 0 EEAELP Cc1nocc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000294648674 464563599 /nfs/dbraw/zinc/56/35/99/464563599.db2.gz KRWRYWXDEUZAOK-HXUWFJFHSA-N 2 2 340.471 2.375 10 0 EEAELP CCS(=O)(=O)CCCCC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000190592232 464683751 /nfs/dbraw/zinc/68/37/51/464683751.db2.gz YWJPYKBTHCLHQC-INIZCTEOSA-N 2 2 339.505 2.420 10 0 EEAELP CCS(=O)(=O)CCCCC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000190592232 464683755 /nfs/dbraw/zinc/68/37/55/464683755.db2.gz YWJPYKBTHCLHQC-INIZCTEOSA-N 2 2 339.505 2.420 10 0 EEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182876378 464747452 /nfs/dbraw/zinc/74/74/52/464747452.db2.gz CMZAIJQQXJJDNT-INIZCTEOSA-N 2 2 327.432 2.327 10 0 EEAELP Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182876378 464747458 /nfs/dbraw/zinc/74/74/58/464747458.db2.gz CMZAIJQQXJJDNT-INIZCTEOSA-N 2 2 327.432 2.327 10 0 EEAELP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CCO1 ZINC000275475127 464776149 /nfs/dbraw/zinc/77/61/49/464776149.db2.gz HYHSJUWIHKKVNT-SJLPKXTDSA-N 2 2 341.459 2.425 10 0 EEAELP CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000282362546 464788753 /nfs/dbraw/zinc/78/87/53/464788753.db2.gz YUVSNQKTBYTJRG-INIZCTEOSA-N 2 2 342.443 2.015 10 0 EEAELP CCOc1ccccc1C[N@H+]1CCN(C(=O)Cn2cc[nH+]c2)[C@@H](C)C1 ZINC000282362546 464788757 /nfs/dbraw/zinc/78/87/57/464788757.db2.gz YUVSNQKTBYTJRG-INIZCTEOSA-N 2 2 342.443 2.015 10 0 EEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C2 ZINC000176592510 464807002 /nfs/dbraw/zinc/80/70/02/464807002.db2.gz CXBYAUJUBKFSRI-GJZGRUSLSA-N 2 2 347.507 2.484 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266787606 464822165 /nfs/dbraw/zinc/82/21/65/464822165.db2.gz WLHROEMUYYEIGW-AWEZNQCLSA-N 2 2 342.443 2.475 10 0 EEAELP COc1ccc(F)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000295487739 464855423 /nfs/dbraw/zinc/85/54/23/464855423.db2.gz XNXGSQZICUTKQK-KRWDZBQOSA-N 2 2 335.467 2.436 10 0 EEAELP COc1ccc(F)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000295487739 464855430 /nfs/dbraw/zinc/85/54/30/464855430.db2.gz XNXGSQZICUTKQK-KRWDZBQOSA-N 2 2 335.467 2.436 10 0 EEAELP Cc1cc(NCCCC[NH+]2CCOCC2)nc(-c2cccnc2)[nH+]1 ZINC000298763563 465498348 /nfs/dbraw/zinc/49/83/48/465498348.db2.gz AXZPJFIDAXAIOX-UHFFFAOYSA-N 2 2 327.432 2.371 10 0 EEAELP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000348101178 465422232 /nfs/dbraw/zinc/42/22/32/465422232.db2.gz ICLUZUCAIMVTQX-DLBZAZTESA-N 2 2 331.508 2.403 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC000339659956 465425536 /nfs/dbraw/zinc/42/55/36/465425536.db2.gz JACZMKCKPBODKL-HOCLYGCPSA-N 2 2 349.500 2.490 10 0 EEAELP CCOC(=O)c1cnn(C2CC[NH+](Cc3c[nH+]c(C)n3C)CC2)c1C ZINC000597124287 468451452 /nfs/dbraw/zinc/45/14/52/468451452.db2.gz HTKSHUXLICKYCM-UHFFFAOYSA-N 2 2 345.447 2.247 10 0 EEAELP C[N@@H+]1CC[C@]2(CC[NH+](CC(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000366557383 465800955 /nfs/dbraw/zinc/80/09/55/465800955.db2.gz IMKHJPGESOAXIU-SFHVURJKSA-N 2 2 335.879 2.026 10 0 EEAELP C[N@H+]1CC[C@]2(CC[NH+](CC(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000366557383 465800962 /nfs/dbraw/zinc/80/09/62/465800962.db2.gz IMKHJPGESOAXIU-SFHVURJKSA-N 2 2 335.879 2.026 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@H+](CC(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000366557383 465800972 /nfs/dbraw/zinc/80/09/72/465800972.db2.gz IMKHJPGESOAXIU-SFHVURJKSA-N 2 2 335.879 2.026 10 0 EEAELP C[NH+]1CC[C@]2(CC[N@@H+](CC(=O)NCCc3ccc(Cl)cc3)C2)C1 ZINC000366557383 465800978 /nfs/dbraw/zinc/80/09/78/465800978.db2.gz IMKHJPGESOAXIU-SFHVURJKSA-N 2 2 335.879 2.026 10 0 EEAELP C[N@H+](CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CCCCC1 ZINC000357191343 465844655 /nfs/dbraw/zinc/84/46/55/465844655.db2.gz TUUMMTWKXAAWQK-MRXNPFEDSA-N 2 2 347.507 2.362 10 0 EEAELP C[N@@H+](CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CCCCC1 ZINC000357191343 465844660 /nfs/dbraw/zinc/84/46/60/465844660.db2.gz TUUMMTWKXAAWQK-MRXNPFEDSA-N 2 2 347.507 2.362 10 0 EEAELP Brc1cccc2c(NC[C@@H]3C[NH+]4CCN3CC4)cc[nH+]c12 ZINC000301754390 466025551 /nfs/dbraw/zinc/02/55/51/466025551.db2.gz CMVHTCFUSITSEP-GFCCVEGCSA-N 2 2 347.260 2.409 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519894 466066736 /nfs/dbraw/zinc/06/67/36/466066736.db2.gz QWBQMLFRIWUWIM-MRXNPFEDSA-N 2 2 346.475 2.003 10 0 EEAELP COc1cccc(N2C[C@H]([NH2+]Cc3c[nH+]ccc3N(C)C)CC2=O)c1 ZINC000371938598 466077957 /nfs/dbraw/zinc/07/79/57/466077957.db2.gz OMKKQMXORPCMJM-OAHLLOKOSA-N 2 2 340.427 2.051 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000357612386 466176164 /nfs/dbraw/zinc/17/61/64/466176164.db2.gz ZXNDQRNFPSKHNI-IBGZPJMESA-N 2 2 329.488 2.248 10 0 EEAELP C[NH+]1CCN(C(=O)C[N@H+]2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000357612386 466176173 /nfs/dbraw/zinc/17/61/73/466176173.db2.gz ZXNDQRNFPSKHNI-IBGZPJMESA-N 2 2 329.488 2.248 10 0 EEAELP CCc1cc(CC)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000367333688 466272923 /nfs/dbraw/zinc/27/29/23/466272923.db2.gz ULOWPLCRBZYXDX-DFNIBXOVSA-N 2 2 343.519 2.349 10 0 EEAELP CCc1cc(CC)nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000367333688 466272928 /nfs/dbraw/zinc/27/29/28/466272928.db2.gz ULOWPLCRBZYXDX-DFNIBXOVSA-N 2 2 343.519 2.349 10 0 EEAELP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc(C2CC2)n1 ZINC000363262823 466317902 /nfs/dbraw/zinc/31/79/02/466317902.db2.gz KNLQSUVNKOVSFX-UHFFFAOYSA-N 3 2 343.519 3.025 10 0 EEAELP Cc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc(C2CC2)[nH+]1 ZINC000363262823 466317913 /nfs/dbraw/zinc/31/79/13/466317913.db2.gz KNLQSUVNKOVSFX-UHFFFAOYSA-N 3 2 343.519 3.025 10 0 EEAELP Cc1nc(CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000374805371 466747994 /nfs/dbraw/zinc/74/79/94/466747994.db2.gz IOHMXHNXVGITSI-JWTNVVGKSA-N 2 2 334.533 2.237 10 0 EEAELP Cc1nc(CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000374805371 466747995 /nfs/dbraw/zinc/74/79/95/466747995.db2.gz IOHMXHNXVGITSI-JWTNVVGKSA-N 2 2 334.533 2.237 10 0 EEAELP [NH3+]C1CCC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000417080068 466772676 /nfs/dbraw/zinc/77/26/76/466772676.db2.gz RVGUFSFVAXCKBS-UHFFFAOYSA-N 2 2 327.432 2.001 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226318 466804176 /nfs/dbraw/zinc/80/41/76/466804176.db2.gz FVKODTYNVJPMKO-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226318 466804181 /nfs/dbraw/zinc/80/41/81/466804181.db2.gz FVKODTYNVJPMKO-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370226318 466804183 /nfs/dbraw/zinc/80/41/83/466804183.db2.gz FVKODTYNVJPMKO-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000423940529 466921783 /nfs/dbraw/zinc/92/17/83/466921783.db2.gz NQTQQECBHIYBCN-MOPGFXCFSA-N 2 2 345.487 2.008 10 0 EEAELP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000423940529 466921788 /nfs/dbraw/zinc/92/17/88/466921788.db2.gz NQTQQECBHIYBCN-MOPGFXCFSA-N 2 2 345.487 2.008 10 0 EEAELP CC(C)[C@H]([NH3+])CNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000418398024 467105242 /nfs/dbraw/zinc/10/52/42/467105242.db2.gz DRIAQQYUXYMKDO-GOEBONIOSA-N 2 2 333.480 2.092 10 0 EEAELP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000386557683 467390998 /nfs/dbraw/zinc/39/09/98/467390998.db2.gz UYIQGEAHRZLAGK-ARFHVFGLSA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)[nH+]cnc1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000386557683 467391001 /nfs/dbraw/zinc/39/10/01/467391001.db2.gz UYIQGEAHRZLAGK-ARFHVFGLSA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000386557683 467391003 /nfs/dbraw/zinc/39/10/03/467391003.db2.gz UYIQGEAHRZLAGK-ARFHVFGLSA-N 2 2 339.443 2.390 10 0 EEAELP COc1c(N)nc[nH+]c1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000386557683 467391005 /nfs/dbraw/zinc/39/10/05/467391005.db2.gz UYIQGEAHRZLAGK-ARFHVFGLSA-N 2 2 339.443 2.390 10 0 EEAELP CC1=C[C@H](C)C[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430286441 467418214 /nfs/dbraw/zinc/41/82/14/467418214.db2.gz XZTCAAMKFZQULH-KRWDZBQOSA-N 2 2 349.519 2.036 10 0 EEAELP CC1=C[C@H](C)C[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000430286441 467418220 /nfs/dbraw/zinc/41/82/20/467418220.db2.gz XZTCAAMKFZQULH-KRWDZBQOSA-N 2 2 349.519 2.036 10 0 EEAELP CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414947234 467456644 /nfs/dbraw/zinc/45/66/44/467456644.db2.gz VUHRPVGMVJUSOU-PBHICJAKSA-N 2 2 342.443 2.137 10 0 EEAELP CCO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405327948 467480560 /nfs/dbraw/zinc/48/05/60/467480560.db2.gz DQTLWOPMMWSUQO-QMTHXVAHSA-N 2 2 346.258 2.228 10 0 EEAELP CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000405327948 467480565 /nfs/dbraw/zinc/48/05/65/467480565.db2.gz DQTLWOPMMWSUQO-QMTHXVAHSA-N 2 2 346.258 2.228 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2ccc(OC)c(OC)c2Cl)C[C@H]1C[NH3+] ZINC000405371424 467481553 /nfs/dbraw/zinc/48/15/53/467481553.db2.gz JWNBARHHYDTYLY-TZMCWYRMSA-N 2 2 328.840 2.153 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC)c2Cl)C[C@H]1C[NH3+] ZINC000405371424 467481554 /nfs/dbraw/zinc/48/15/54/467481554.db2.gz JWNBARHHYDTYLY-TZMCWYRMSA-N 2 2 328.840 2.153 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975291 467524837 /nfs/dbraw/zinc/52/48/37/467524837.db2.gz FNMRWJDPGGDYIU-QGZVFWFLSA-N 2 2 331.508 2.338 10 0 EEAELP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975291 467524841 /nfs/dbraw/zinc/52/48/41/467524841.db2.gz FNMRWJDPGGDYIU-QGZVFWFLSA-N 2 2 331.508 2.338 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN([C@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975291 467524844 /nfs/dbraw/zinc/52/48/44/467524844.db2.gz FNMRWJDPGGDYIU-QGZVFWFLSA-N 2 2 331.508 2.338 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN([C@H](C)c3cnc(C)cn3)CC2)CC1 ZINC000420975291 467524849 /nfs/dbraw/zinc/52/48/49/467524849.db2.gz FNMRWJDPGGDYIU-QGZVFWFLSA-N 2 2 331.508 2.338 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)c2oc3ccccc3c2C[NH+](C)C)c1 ZINC000457870367 467720993 /nfs/dbraw/zinc/72/09/93/467720993.db2.gz ZMKYUCZNNJQWHO-UHFFFAOYSA-N 2 2 326.400 2.200 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CC[NH+](Cc3ccco3)CC2)CCCCC1 ZINC000492873904 467782307 /nfs/dbraw/zinc/78/23/07/467782307.db2.gz NYHIMJWAYTVXCX-UHFFFAOYSA-N 2 2 333.476 2.436 10 0 EEAELP CC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450498094 467859777 /nfs/dbraw/zinc/85/97/77/467859777.db2.gz FGDHEDOQFCLEFG-XUVXKRRUSA-N 2 2 330.472 2.313 10 0 EEAELP CC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450498094 467859781 /nfs/dbraw/zinc/85/97/81/467859781.db2.gz FGDHEDOQFCLEFG-XUVXKRRUSA-N 2 2 330.472 2.313 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450498094 467859786 /nfs/dbraw/zinc/85/97/86/467859786.db2.gz FGDHEDOQFCLEFG-XUVXKRRUSA-N 2 2 330.472 2.313 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450498094 467859790 /nfs/dbraw/zinc/85/97/90/467859790.db2.gz FGDHEDOQFCLEFG-XUVXKRRUSA-N 2 2 330.472 2.313 10 0 EEAELP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179229 467958908 /nfs/dbraw/zinc/95/89/08/467958908.db2.gz WHJBTOJZJKMOPG-KRWDZBQOSA-N 2 2 340.427 2.222 10 0 EEAELP Cc1nc(N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000489953966 468180579 /nfs/dbraw/zinc/18/05/79/468180579.db2.gz ONRIVXVBIPFOAF-HNNXBMFYSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1nc(N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000489953966 468180581 /nfs/dbraw/zinc/18/05/81/468180581.db2.gz ONRIVXVBIPFOAF-HNNXBMFYSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000520226378 468236172 /nfs/dbraw/zinc/23/61/72/468236172.db2.gz NHDQHJDDSWZZEI-IBGZPJMESA-N 2 2 326.444 2.337 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000556765295 468568002 /nfs/dbraw/zinc/56/80/02/468568002.db2.gz VOCGOBBMDJZFGS-UGSOOPFHSA-N 2 2 328.416 2.251 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@](C)(O)C1 ZINC000556765295 468568006 /nfs/dbraw/zinc/56/80/06/468568006.db2.gz VOCGOBBMDJZFGS-UGSOOPFHSA-N 2 2 328.416 2.251 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC([NH3+])CC2)c(C)c1 ZINC000557182886 468618732 /nfs/dbraw/zinc/61/87/32/468618732.db2.gz RLKXFLOCQYIBNB-SFHVURJKSA-N 2 2 341.459 2.374 10 0 EEAELP CC[N@H+](CC[NH3+])CCCOc1cccc(I)c1 ZINC000600714552 468630207 /nfs/dbraw/zinc/63/02/07/468630207.db2.gz ADWULKQSEGFMFL-UHFFFAOYSA-N 2 2 348.228 2.341 10 0 EEAELP CC[N@@H+](CC[NH3+])CCCOc1cccc(I)c1 ZINC000600714552 468630210 /nfs/dbraw/zinc/63/02/10/468630210.db2.gz ADWULKQSEGFMFL-UHFFFAOYSA-N 2 2 348.228 2.341 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000570770599 468687559 /nfs/dbraw/zinc/68/75/59/468687559.db2.gz WITFYCODSHBYMI-ZIAGYGMSSA-N 2 2 328.416 2.108 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H](CO)C1 ZINC000570770599 468687565 /nfs/dbraw/zinc/68/75/65/468687565.db2.gz WITFYCODSHBYMI-ZIAGYGMSSA-N 2 2 328.416 2.108 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000594951344 468730207 /nfs/dbraw/zinc/73/02/07/468730207.db2.gz GSAQDISUDVHNQM-DTTOXWODSA-N 2 2 331.460 2.394 10 0 EEAELP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)on1 ZINC000601161787 468765951 /nfs/dbraw/zinc/76/59/51/468765951.db2.gz CFMDBWPCVOSWFJ-UHFFFAOYSA-N 2 2 344.415 2.001 10 0 EEAELP Cc1[nH+]ccn1CCCC[NH2+]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595896841 469068629 /nfs/dbraw/zinc/06/86/29/469068629.db2.gz LPENTDYYUORZEX-UHFFFAOYSA-N 2 2 337.464 2.452 10 0 EEAELP COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)CC1 ZINC000563031302 469143916 /nfs/dbraw/zinc/14/39/16/469143916.db2.gz RVJVWXUPXYLTRU-UHFFFAOYSA-N 2 2 345.447 2.217 10 0 EEAELP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000617013228 469572279 /nfs/dbraw/zinc/57/22/79/469572279.db2.gz PEDKRKIBSRJTLY-SJORKVTESA-N 2 2 339.524 2.112 10 0 EEAELP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[NH+]1CCOCC1 ZINC000617013228 469572280 /nfs/dbraw/zinc/57/22/80/469572280.db2.gz PEDKRKIBSRJTLY-SJORKVTESA-N 2 2 339.524 2.112 10 0 EEAELP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629601337 469589223 /nfs/dbraw/zinc/58/92/23/469589223.db2.gz JENGPFMPKOVCIU-OALUTQOASA-N 2 2 346.471 2.235 10 0 EEAELP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629601337 469589226 /nfs/dbraw/zinc/58/92/26/469589226.db2.gz JENGPFMPKOVCIU-OALUTQOASA-N 2 2 346.471 2.235 10 0 EEAELP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[NH2+]1 ZINC000629660591 469601401 /nfs/dbraw/zinc/60/14/01/469601401.db2.gz WFMCSBBQPTXOHC-FUHWJXTLSA-N 3 2 330.520 2.447 10 0 EEAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629663611 469602300 /nfs/dbraw/zinc/60/23/00/469602300.db2.gz HDXRFVPZPYFSIV-GASCZTMLSA-N 2 2 346.397 2.101 10 0 EEAELP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629663611 469602306 /nfs/dbraw/zinc/60/23/06/469602306.db2.gz HDXRFVPZPYFSIV-GASCZTMLSA-N 2 2 346.397 2.101 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623386859 469639984 /nfs/dbraw/zinc/63/99/84/469639984.db2.gz GUTVESBHHAXJFD-SFHVURJKSA-N 4 2 345.535 2.056 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623386859 469639990 /nfs/dbraw/zinc/63/99/90/469639990.db2.gz GUTVESBHHAXJFD-SFHVURJKSA-N 4 2 345.535 2.056 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626923728 469755465 /nfs/dbraw/zinc/75/54/65/469755465.db2.gz ZZFHOJAYNBUQLK-QGZVFWFLSA-N 2 2 341.459 2.319 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@H]3CC[C@H](C)[NH2+]C3)c[nH+]2)CC1 ZINC000626931481 469758664 /nfs/dbraw/zinc/75/86/64/469758664.db2.gz GNRBVAMJZNGUOZ-RDJZCZTQSA-N 2 2 345.491 2.258 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c(C)[nH+]1 ZINC000627908453 470024054 /nfs/dbraw/zinc/02/40/54/470024054.db2.gz YBJLLTVYKDVAMR-INIZCTEOSA-N 2 2 344.459 2.078 10 0 EEAELP Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(C)[nH+]1 ZINC000627908453 470024055 /nfs/dbraw/zinc/02/40/55/470024055.db2.gz YBJLLTVYKDVAMR-INIZCTEOSA-N 2 2 344.459 2.078 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000628062781 470049827 /nfs/dbraw/zinc/04/98/27/470049827.db2.gz PIXVUWHOYIJZGK-RCCFBDPRSA-N 2 2 349.906 2.225 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000628062781 470049828 /nfs/dbraw/zinc/04/98/28/470049828.db2.gz PIXVUWHOYIJZGK-RCCFBDPRSA-N 2 2 349.906 2.225 10 0 EEAELP C[N@H+](CCOC1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000625215893 470096668 /nfs/dbraw/zinc/09/66/68/470096668.db2.gz AJBIUAAWPBKCLE-UHFFFAOYSA-N 2 2 347.503 2.216 10 0 EEAELP C[N@@H+](CCOC1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000625215893 470096670 /nfs/dbraw/zinc/09/66/70/470096670.db2.gz AJBIUAAWPBKCLE-UHFFFAOYSA-N 2 2 347.503 2.216 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000631453551 470144458 /nfs/dbraw/zinc/14/44/58/470144458.db2.gz NQESHRIVVKONTE-GOSISDBHSA-N 2 2 338.455 2.359 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N(Cc1ccccc1)C1CC1 ZINC000631886728 470189410 /nfs/dbraw/zinc/18/94/10/470189410.db2.gz JOLZJBAXGWXXST-MJGOQNOKSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N(Cc1ccccc1)C1CC1 ZINC000631886728 470189411 /nfs/dbraw/zinc/18/94/11/470189411.db2.gz JOLZJBAXGWXXST-MJGOQNOKSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N[C@@H]1CCCc2ccccc21 ZINC000631888123 470189655 /nfs/dbraw/zinc/18/96/55/470189655.db2.gz WNEPIHSZDNNDMJ-QRQLOZEOSA-N 2 2 327.472 2.254 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N[C@@H]1CCCc2ccccc21 ZINC000631888123 470189656 /nfs/dbraw/zinc/18/96/56/470189656.db2.gz WNEPIHSZDNNDMJ-QRQLOZEOSA-N 2 2 327.472 2.254 10 0 EEAELP C[NH+](C)[C@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000632762468 470268058 /nfs/dbraw/zinc/26/80/58/470268058.db2.gz PEVDJHWVEFRHAT-KRWDZBQOSA-N 2 2 326.444 2.358 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000639326688 470468202 /nfs/dbraw/zinc/46/82/02/470468202.db2.gz HPFAOIOZZKILJH-NRFANRHFSA-N 2 2 339.483 2.085 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000639326688 470468208 /nfs/dbraw/zinc/46/82/08/470468208.db2.gz HPFAOIOZZKILJH-NRFANRHFSA-N 2 2 339.483 2.085 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000646253896 470581275 /nfs/dbraw/zinc/58/12/75/470581275.db2.gz GGWLAXORWUCLJD-OAHLLOKOSA-N 2 2 331.451 2.344 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000646253896 470581279 /nfs/dbraw/zinc/58/12/79/470581279.db2.gz GGWLAXORWUCLJD-OAHLLOKOSA-N 2 2 331.451 2.344 10 0 EEAELP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644548183 470979584 /nfs/dbraw/zinc/97/95/84/470979584.db2.gz SMLFMJCLJOHANY-KBPBESRZSA-N 2 2 332.366 2.129 10 0 EEAELP C[N@H+]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000644548183 470979587 /nfs/dbraw/zinc/97/95/87/470979587.db2.gz SMLFMJCLJOHANY-KBPBESRZSA-N 2 2 332.366 2.129 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000647899764 471011400 /nfs/dbraw/zinc/01/14/00/471011400.db2.gz VONGKCLGTQHEEF-RWOIVKFCSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000647899764 471011402 /nfs/dbraw/zinc/01/14/02/471011402.db2.gz VONGKCLGTQHEEF-RWOIVKFCSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCC1(c2ccccc2)CC1 ZINC000647901234 471012047 /nfs/dbraw/zinc/01/20/47/471012047.db2.gz LJALYLUVOQBJLF-PKOBYXMFSA-N 2 2 341.499 2.298 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCC1(c2ccccc2)CC1 ZINC000647901234 471012050 /nfs/dbraw/zinc/01/20/50/471012050.db2.gz LJALYLUVOQBJLF-PKOBYXMFSA-N 2 2 341.499 2.298 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000651007626 471023889 /nfs/dbraw/zinc/02/38/89/471023889.db2.gz CVOWWBDZASNGQY-MRXNPFEDSA-N 2 2 342.443 2.308 10 0 EEAELP c1ccc2[nH+]c(CCNc3nc(N[C@H]4CCCOC4)cc[nH+]3)[nH]c2c1 ZINC000645032199 471124464 /nfs/dbraw/zinc/12/44/64/471124464.db2.gz UQWSHLSHGGLBNF-ZDUSSCGKSA-N 2 2 338.415 2.598 10 0 EEAELP CCCn1cc(C[NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801210 471235782 /nfs/dbraw/zinc/23/57/82/471235782.db2.gz OVUKOLHKUAXTOK-HXUWFJFHSA-N 2 2 341.503 2.199 10 0 EEAELP CCCn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)cn1 ZINC000657801210 471235783 /nfs/dbraw/zinc/23/57/83/471235783.db2.gz OVUKOLHKUAXTOK-HXUWFJFHSA-N 2 2 341.503 2.199 10 0 EEAELP Cc1cc(NC(=O)N[C@@H](C)c2[nH+]ccn2C)n(C2CC[NH+](C)CC2)n1 ZINC000666282414 471338332 /nfs/dbraw/zinc/33/83/32/471338332.db2.gz ILGIHQZNPQUQQB-ZDUSSCGKSA-N 2 2 345.451 2.074 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000655470502 471339927 /nfs/dbraw/zinc/33/99/27/471339927.db2.gz BDDDPQJAXGPJHI-LZLXCTOHSA-N 2 2 349.425 2.216 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H]1c1ccc(F)c(F)c1 ZINC000655470502 471339933 /nfs/dbraw/zinc/33/99/33/471339933.db2.gz BDDDPQJAXGPJHI-LZLXCTOHSA-N 2 2 349.425 2.216 10 0 EEAELP CN(C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000666506171 471427093 /nfs/dbraw/zinc/42/70/93/471427093.db2.gz SZDDBVLDXGUPCS-PBWTXFEYSA-N 2 2 348.535 2.233 10 0 EEAELP CN(C(=O)NC[C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000666506171 471427099 /nfs/dbraw/zinc/42/70/99/471427099.db2.gz SZDDBVLDXGUPCS-PBWTXFEYSA-N 2 2 348.535 2.233 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659036335 471478332 /nfs/dbraw/zinc/47/83/32/471478332.db2.gz CGNKNNXKVTUGDT-QGZVFWFLSA-N 2 2 343.431 2.098 10 0 EEAELP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000663797396 471523076 /nfs/dbraw/zinc/52/30/76/471523076.db2.gz CRBGTAORIAGDDY-MRXNPFEDSA-N 2 2 327.432 2.108 10 0 EEAELP CCN(C(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000663797396 471523083 /nfs/dbraw/zinc/52/30/83/471523083.db2.gz CRBGTAORIAGDDY-MRXNPFEDSA-N 2 2 327.432 2.108 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCCOc2ccccc21 ZINC000663898250 471570341 /nfs/dbraw/zinc/57/03/41/471570341.db2.gz DCORWQHVLARMGM-KRWDZBQOSA-N 2 2 348.491 2.083 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCCOc2ccccc21 ZINC000663898250 471570343 /nfs/dbraw/zinc/57/03/43/471570343.db2.gz DCORWQHVLARMGM-KRWDZBQOSA-N 2 2 348.491 2.083 10 0 EEAELP CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H]1CC[N@H+](CC)C1 ZINC000664290423 471708076 /nfs/dbraw/zinc/70/80/76/471708076.db2.gz JQUGXTXOAAYBBV-QGZVFWFLSA-N 2 2 343.475 2.311 10 0 EEAELP CCN(C(=O)NCCc1cn2cccc(C)c2[nH+]1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664290423 471708081 /nfs/dbraw/zinc/70/80/81/471708081.db2.gz JQUGXTXOAAYBBV-QGZVFWFLSA-N 2 2 343.475 2.311 10 0 EEAELP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccs1)c1[nH+]ccn1C ZINC000667254268 471711020 /nfs/dbraw/zinc/71/10/20/471711020.db2.gz OSOHMGMKGGVDHZ-ZDUSSCGKSA-N 2 2 335.477 2.316 10 0 EEAELP C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664549617 471791936 /nfs/dbraw/zinc/79/19/36/471791936.db2.gz KAGLLDRKWMVRFY-VQIMIIECSA-N 2 2 346.519 2.493 10 0 EEAELP C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664549617 471791938 /nfs/dbraw/zinc/79/19/38/471791938.db2.gz KAGLLDRKWMVRFY-VQIMIIECSA-N 2 2 346.519 2.493 10 0 EEAELP CO[C@H](C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)[C@H]1CCOC1 ZINC000659990886 471817220 /nfs/dbraw/zinc/81/72/20/471817220.db2.gz ISMCEEMFQDHFEA-FXAWDEMLSA-N 2 2 347.503 2.072 10 0 EEAELP CO[C@H](C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)[C@H]1CCOC1 ZINC000659990886 471817225 /nfs/dbraw/zinc/81/72/25/471817225.db2.gz ISMCEEMFQDHFEA-FXAWDEMLSA-N 2 2 347.503 2.072 10 0 EEAELP C[N@H+](Cc1cnn2c1CCC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000667564011 471824322 /nfs/dbraw/zinc/82/43/22/471824322.db2.gz YUKCKAOBEMQYEM-UHFFFAOYSA-N 2 2 339.487 2.363 10 0 EEAELP C[N@@H+](Cc1cnn2c1CCC2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000667564011 471824328 /nfs/dbraw/zinc/82/43/28/471824328.db2.gz YUKCKAOBEMQYEM-UHFFFAOYSA-N 2 2 339.487 2.363 10 0 EEAELP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000668015938 471979372 /nfs/dbraw/zinc/97/93/72/471979372.db2.gz OUJRSNDWRCROET-ZDUSSCGKSA-N 2 2 342.447 2.007 10 0 EEAELP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000668015938 471979375 /nfs/dbraw/zinc/97/93/75/471979375.db2.gz OUJRSNDWRCROET-ZDUSSCGKSA-N 2 2 342.447 2.007 10 0 EEAELP C[C@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1[nH+]ccn1C ZINC000662093757 471983088 /nfs/dbraw/zinc/98/30/88/471983088.db2.gz XKIBYTXUHLHNGO-HOTGVXAUSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1[nH+]ccn1C ZINC000662093757 471983095 /nfs/dbraw/zinc/98/30/95/471983095.db2.gz XKIBYTXUHLHNGO-HOTGVXAUSA-N 2 2 341.459 2.397 10 0 EEAELP Fc1ccc(C[N@H+](CCc2ccccn2)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662262987 472049565 /nfs/dbraw/zinc/04/95/65/472049565.db2.gz YTHWVUCVEDORHE-LJQANCHMSA-N 2 2 329.419 2.254 10 0 EEAELP Fc1ccc(C[N@@H+](CCc2ccccn2)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662262987 472049570 /nfs/dbraw/zinc/04/95/70/472049570.db2.gz YTHWVUCVEDORHE-LJQANCHMSA-N 2 2 329.419 2.254 10 0 EEAELP Brc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662278712 472052762 /nfs/dbraw/zinc/05/27/62/472052762.db2.gz LADFXDOWVXUQMQ-HNNXBMFYSA-N 2 2 337.261 2.328 10 0 EEAELP Brc1ccc2c(c1)CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662278712 472052767 /nfs/dbraw/zinc/05/27/67/472052767.db2.gz LADFXDOWVXUQMQ-HNNXBMFYSA-N 2 2 337.261 2.328 10 0 EEAELP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662320331 472069151 /nfs/dbraw/zinc/06/91/51/472069151.db2.gz SYRSWUMOAJPZFS-IEBWSBKVSA-N 2 2 347.503 2.042 10 0 EEAELP Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662320331 472069154 /nfs/dbraw/zinc/06/91/54/472069154.db2.gz SYRSWUMOAJPZFS-IEBWSBKVSA-N 2 2 347.503 2.042 10 0 EEAELP CCN(C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC(C)(C)C1 ZINC000665717619 472154528 /nfs/dbraw/zinc/15/45/28/472154528.db2.gz MSRLSIUSKVNWCH-HNNXBMFYSA-N 2 2 336.524 2.375 10 0 EEAELP CCN(C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC(C)(C)C1 ZINC000665717619 472154532 /nfs/dbraw/zinc/15/45/32/472154532.db2.gz MSRLSIUSKVNWCH-HNNXBMFYSA-N 2 2 336.524 2.375 10 0 EEAELP O=C(NCc1ccc[nH+]c1N1CCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000662849001 472278123 /nfs/dbraw/zinc/27/81/23/472278123.db2.gz DMWJQZJQCBURQK-UAGQMJEPSA-N 2 2 328.460 2.219 10 0 EEAELP Cc1nc(NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)nc(N)[nH+]1 ZINC000631058459 486739490 /nfs/dbraw/zinc/73/94/90/486739490.db2.gz HHDGUCCOQCEQRQ-AWEZNQCLSA-N 2 2 332.839 2.087 10 0 EEAELP Cc1ccc(CCC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000673741424 485515383 /nfs/dbraw/zinc/51/53/83/485515383.db2.gz YHSHVDPDXPORBC-QGZVFWFLSA-N 2 2 333.476 2.148 10 0 EEAELP Cc1ccc(CCC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)o1 ZINC000673741424 485515391 /nfs/dbraw/zinc/51/53/91/485515391.db2.gz YHSHVDPDXPORBC-QGZVFWFLSA-N 2 2 333.476 2.148 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000651363216 485537970 /nfs/dbraw/zinc/53/79/70/485537970.db2.gz QZZAWODYIXOPLF-MRXNPFEDSA-N 2 2 335.496 2.218 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000651363216 485537980 /nfs/dbraw/zinc/53/79/80/485537980.db2.gz QZZAWODYIXOPLF-MRXNPFEDSA-N 2 2 335.496 2.218 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000651363216 485537989 /nfs/dbraw/zinc/53/79/89/485537989.db2.gz QZZAWODYIXOPLF-MRXNPFEDSA-N 2 2 335.496 2.218 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000651363216 485537998 /nfs/dbraw/zinc/53/79/98/485537998.db2.gz QZZAWODYIXOPLF-MRXNPFEDSA-N 2 2 335.496 2.218 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000672956907 486242440 /nfs/dbraw/zinc/24/24/40/486242440.db2.gz CXEWGPKIDLLFHN-MRXNPFEDSA-N 2 2 326.444 2.465 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1[nH]cc[nH+]1 ZINC000672956907 486242443 /nfs/dbraw/zinc/24/24/43/486242443.db2.gz CXEWGPKIDLLFHN-MRXNPFEDSA-N 2 2 326.444 2.465 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000673041278 486260127 /nfs/dbraw/zinc/26/01/27/486260127.db2.gz ITJMZDMWJLJMTG-NVXWUHKLSA-N 2 2 332.835 2.178 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000673041278 486260131 /nfs/dbraw/zinc/26/01/31/486260131.db2.gz ITJMZDMWJLJMTG-NVXWUHKLSA-N 2 2 332.835 2.178 10 0 EEAELP CCc1cccc(CC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000676883870 486334641 /nfs/dbraw/zinc/33/46/41/486334641.db2.gz UKEANOKEEATZKV-HXUWFJFHSA-N 2 2 343.515 2.418 10 0 EEAELP CCc1cccc(CC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000676883870 486334646 /nfs/dbraw/zinc/33/46/46/486334646.db2.gz UKEANOKEEATZKV-HXUWFJFHSA-N 2 2 343.515 2.418 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(-n2cncn2)c[nH+]1 ZINC000682855030 486569852 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CN(CC[N@@H+](C)Cc1ccsc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001482609028 1187370015 /nfs/dbraw/zinc/37/00/15/1187370015.db2.gz MWKIKMKYJHBRKE-OAHLLOKOSA-N 2 2 332.473 2.097 10 0 EEAELP CCN(CC[NH2+]C[C@H]1C[C@@]12CCOC2)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001482939715 1187862838 /nfs/dbraw/zinc/86/28/38/1187862838.db2.gz UFNIBEULTHGEEP-YLJYHZDGSA-N 2 2 345.487 2.485 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1 ZINC001483016876 1188004201 /nfs/dbraw/zinc/00/42/01/1188004201.db2.gz GNETWIGGLGIDPP-WAYWQWQTSA-N 2 2 334.464 2.044 10 0 EEAELP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOCC(C)C)[NH+](C)C ZINC001671014763 1193545323 /nfs/dbraw/zinc/54/53/23/1193545323.db2.gz IPWUSJXFWJNQQR-FGTMMUONSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOCC(C)C)[NH+](C)C ZINC001671014763 1193545327 /nfs/dbraw/zinc/54/53/27/1193545327.db2.gz IPWUSJXFWJNQQR-FGTMMUONSA-N 2 2 339.524 2.065 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001483228073 1189536454 /nfs/dbraw/zinc/53/64/54/1189536454.db2.gz GTUXHAGBDUOCSF-STQMWFEESA-N 2 2 349.504 2.456 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001485928596 1193648739 /nfs/dbraw/zinc/64/87/39/1193648739.db2.gz XKOKZGAONDLIIG-UONOGXRCSA-N 2 2 330.432 2.159 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCc1ccccc1 ZINC001409573354 1190054590 /nfs/dbraw/zinc/05/45/90/1190054590.db2.gz GKMVVYSYTMFQJX-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCc1ccccc1 ZINC001409573354 1190054593 /nfs/dbraw/zinc/05/45/93/1190054593.db2.gz GKMVVYSYTMFQJX-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)CC1CC(C)(C)C1 ZINC001409576361 1190060482 /nfs/dbraw/zinc/06/04/82/1190060482.db2.gz ISOXOYYIHXEISD-HOCLYGCPSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CC1CC(C)(C)C1 ZINC001409576361 1190060484 /nfs/dbraw/zinc/06/04/84/1190060484.db2.gz ISOXOYYIHXEISD-HOCLYGCPSA-N 2 2 332.492 2.318 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(F)c1Cl)NC(=O)CCn1cc[nH+]c1 ZINC001483253531 1190281959 /nfs/dbraw/zinc/28/19/59/1190281959.db2.gz FLTUAJUVISQYBN-LBPRGKRZSA-N 2 2 338.814 2.360 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cc(C)no1 ZINC001483339099 1190369655 /nfs/dbraw/zinc/36/96/55/1190369655.db2.gz CMCBJFQCOXWSDY-CABCVRRESA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)no1 ZINC001483339099 1190369659 /nfs/dbraw/zinc/36/96/59/1190369659.db2.gz CMCBJFQCOXWSDY-CABCVRRESA-N 2 2 347.463 2.330 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001483376166 1190417907 /nfs/dbraw/zinc/41/79/07/1190417907.db2.gz DJHUTMCBOWWHNT-SJLPKXTDSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001483376166 1190417908 /nfs/dbraw/zinc/41/79/08/1190417908.db2.gz DJHUTMCBOWWHNT-SJLPKXTDSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001483376166 1190417911 /nfs/dbraw/zinc/41/79/11/1190417911.db2.gz DJHUTMCBOWWHNT-SJLPKXTDSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001483376166 1190417914 /nfs/dbraw/zinc/41/79/14/1190417914.db2.gz DJHUTMCBOWWHNT-SJLPKXTDSA-N 2 2 337.508 2.033 10 0 EEAELP CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1CC ZINC001483613143 1190590216 /nfs/dbraw/zinc/59/02/16/1190590216.db2.gz BFDRJSCIOCXVFK-GDBMZVCRSA-N 2 2 344.459 2.430 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1CC ZINC001483613148 1190590264 /nfs/dbraw/zinc/59/02/64/1190590264.db2.gz BFDRJSCIOCXVFK-HOCLYGCPSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H]2CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)o1 ZINC001272617179 1190932558 /nfs/dbraw/zinc/93/25/58/1190932558.db2.gz UEBQBPMMQAVOAN-CQSZACIVSA-N 2 2 345.447 2.012 10 0 EEAELP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccncc2Cl)C1)[NH+](C)C ZINC001409902138 1190983449 /nfs/dbraw/zinc/98/34/49/1190983449.db2.gz AVCSUNALCKUTPY-BLLLJJGKSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001409905712 1190994651 /nfs/dbraw/zinc/99/46/51/1190994651.db2.gz HFIOSOXYQIBUFU-HUUCEWRRSA-N 2 2 348.491 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001409905712 1190994652 /nfs/dbraw/zinc/99/46/52/1190994652.db2.gz HFIOSOXYQIBUFU-HUUCEWRRSA-N 2 2 348.491 2.076 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C[C@H]1C ZINC001483906918 1191119736 /nfs/dbraw/zinc/11/97/36/1191119736.db2.gz ZLGQLMZIFVQOMV-LXJUILQBSA-N 2 2 337.851 2.354 10 0 EEAELP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001484099329 1191210224 /nfs/dbraw/zinc/21/02/24/1191210224.db2.gz GNPCQYMCTFJGPB-QFBILLFUSA-N 2 2 330.476 2.074 10 0 EEAELP CC(C)OCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001484391807 1191325799 /nfs/dbraw/zinc/32/57/99/1191325799.db2.gz WNVWEPWCKQCQOR-BCDXTJNWSA-N 2 2 348.491 2.057 10 0 EEAELP CC(C)OCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cn1cc[nH+]c1)C2 ZINC001484391807 1191325801 /nfs/dbraw/zinc/32/58/01/1191325801.db2.gz WNVWEPWCKQCQOR-BCDXTJNWSA-N 2 2 348.491 2.057 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001484446065 1191359713 /nfs/dbraw/zinc/35/97/13/1191359713.db2.gz GJYWJACYRBJWND-JSDWAPGTSA-N 2 2 348.491 2.134 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@](CO)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001484446065 1191359715 /nfs/dbraw/zinc/35/97/15/1191359715.db2.gz GJYWJACYRBJWND-JSDWAPGTSA-N 2 2 348.491 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001484466944 1191371598 /nfs/dbraw/zinc/37/15/98/1191371598.db2.gz YHWYDRHSJIBDAK-IAGOWNOFSA-N 2 2 336.455 2.466 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCCCF ZINC001484466944 1191371600 /nfs/dbraw/zinc/37/16/00/1191371600.db2.gz YHWYDRHSJIBDAK-IAGOWNOFSA-N 2 2 336.455 2.466 10 0 EEAELP CCOCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484772120 1191514440 /nfs/dbraw/zinc/51/44/40/1191514440.db2.gz LXQLIFFPIKBWGB-IAGOWNOFSA-N 2 2 348.491 2.082 10 0 EEAELP CCOCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001484772120 1191514442 /nfs/dbraw/zinc/51/44/42/1191514442.db2.gz LXQLIFFPIKBWGB-IAGOWNOFSA-N 2 2 348.491 2.082 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC001485235297 1191700964 /nfs/dbraw/zinc/70/09/64/1191700964.db2.gz UZRVDTCYZWJSEK-CHWSQXEVSA-N 2 2 349.504 2.320 10 0 EEAELP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001486199609 1193737586 /nfs/dbraw/zinc/73/75/86/1193737586.db2.gz CAWBQGOKBHMOGF-HOTGVXAUSA-N 2 2 332.492 2.292 10 0 EEAELP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1(C)C ZINC001486235724 1193762397 /nfs/dbraw/zinc/76/23/97/1193762397.db2.gz FNMMPNVRGPRXKP-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP CCC(CC)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001486343692 1193851588 /nfs/dbraw/zinc/85/15/88/1193851588.db2.gz PAONFXPTZITYJG-INIZCTEOSA-N 2 2 346.475 2.135 10 0 EEAELP CCC(CC)C[N@@H+](C)C[C@H](O)CN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001486343692 1193851589 /nfs/dbraw/zinc/85/15/89/1193851589.db2.gz PAONFXPTZITYJG-INIZCTEOSA-N 2 2 346.475 2.135 10 0 EEAELP C[C@@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)CCn1cc[nH+]c1 ZINC001272945282 1193949608 /nfs/dbraw/zinc/94/96/08/1193949608.db2.gz WIPHUIVIZQJSQL-AWEZNQCLSA-N 2 2 341.415 2.099 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CCF)CC1(C)C)c1ccccc1 ZINC001410024838 1197435978 /nfs/dbraw/zinc/43/59/78/1197435978.db2.gz RKDKVRDZCBZWAU-SJORKVTESA-N 2 2 335.467 2.476 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](CCF)CC1(C)C)c1ccccc1 ZINC001410024838 1197435982 /nfs/dbraw/zinc/43/59/82/1197435982.db2.gz RKDKVRDZCBZWAU-SJORKVTESA-N 2 2 335.467 2.476 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](CCF)CC1(C)C)c1ccccc1 ZINC001410024838 1197435983 /nfs/dbraw/zinc/43/59/83/1197435983.db2.gz RKDKVRDZCBZWAU-SJORKVTESA-N 2 2 335.467 2.476 10 0 EEAELP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](CCF)CC1(C)C)c1ccccc1 ZINC001410024838 1197435984 /nfs/dbraw/zinc/43/59/84/1197435984.db2.gz RKDKVRDZCBZWAU-SJORKVTESA-N 2 2 335.467 2.476 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001410122252 1197556367 /nfs/dbraw/zinc/55/63/67/1197556367.db2.gz VUDUCQGTOBCRGB-XLAORIBOSA-N 2 2 346.519 2.329 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001410122252 1197556369 /nfs/dbraw/zinc/55/63/69/1197556369.db2.gz VUDUCQGTOBCRGB-XLAORIBOSA-N 2 2 346.519 2.329 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C/C(Cl)=C/Cl ZINC001410266798 1197647208 /nfs/dbraw/zinc/64/72/08/1197647208.db2.gz JFTQSHQTFMOJPY-NXIHDVOMSA-N 2 2 333.263 2.392 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1cccc(C(=O)N3CCCCC3)c1)C2 ZINC000872154052 1198060539 /nfs/dbraw/zinc/06/05/39/1198060539.db2.gz RYWSUZGDHJRGDO-AZUAARDMSA-N 2 2 327.472 2.354 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](Cc1cccc(C(=O)N3CCCCC3)c1)C2 ZINC000872154052 1198060545 /nfs/dbraw/zinc/06/05/45/1198060545.db2.gz RYWSUZGDHJRGDO-AZUAARDMSA-N 2 2 327.472 2.354 10 0 EEAELP CN1Cc2ccccc2[C@@H]1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000872236174 1198104531 /nfs/dbraw/zinc/10/45/31/1198104531.db2.gz OCOPMIYCFCYCFX-CTNGQTDRSA-N 2 2 339.483 2.256 10 0 EEAELP CN1Cc2ccccc2[C@@H]1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000872236174 1198104535 /nfs/dbraw/zinc/10/45/35/1198104535.db2.gz OCOPMIYCFCYCFX-CTNGQTDRSA-N 2 2 339.483 2.256 10 0 EEAELP C[C@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C[N@@H+]1Cc1ccccc1 ZINC000865660393 1198321674 /nfs/dbraw/zinc/32/16/74/1198321674.db2.gz ZFAOTYDZXOWFAU-YTQUADARSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C[N@H+]1Cc1ccccc1 ZINC000865660393 1198321680 /nfs/dbraw/zinc/32/16/80/1198321680.db2.gz ZFAOTYDZXOWFAU-YTQUADARSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)C[NH+]1Cc1ccccc1 ZINC000865660393 1198321689 /nfs/dbraw/zinc/32/16/89/1198321689.db2.gz ZFAOTYDZXOWFAU-YTQUADARSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C[NH+]1Cc1ccccc1 ZINC000865660393 1198321697 /nfs/dbraw/zinc/32/16/97/1198321697.db2.gz ZFAOTYDZXOWFAU-YTQUADARSA-N 2 2 331.504 2.084 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@@H]2C1 ZINC001410908523 1198573988 /nfs/dbraw/zinc/57/39/88/1198573988.db2.gz CNPPILZBYXOGQY-QAAIZDBTSA-N 2 2 336.867 2.242 10 0 EEAELP CCCCC[NH2+]CC1(O)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001274536652 1205071676 /nfs/dbraw/zinc/07/16/76/1205071676.db2.gz SEDHOZRRSBOHDC-UHFFFAOYSA-N 2 2 344.459 2.081 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C[C@@H]1C ZINC001274624887 1205103575 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CFEFAWWHEMDVOF-MRVWCRGKSA-N 2 2 348.397 2.128 10 0 EEAELP C[C@H](C[NH2+]CCc1c(F)cccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001274791136 1205163258 /nfs/dbraw/zinc/16/32/58/1205163258.db2.gz CFEFAWWHEMDVOF-MRVWCRGKSA-N 2 2 348.397 2.128 10 0 EEAELP CC1(C)[C@@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925580307 1206131728 /nfs/dbraw/zinc/13/17/28/1206131728.db2.gz LDTGDSULZMSGOA-NMDNHMNCSA-N 2 2 341.377 2.409 10 0 EEAELP CC(C)N(C)c1cccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1 ZINC000926024432 1206183004 /nfs/dbraw/zinc/18/30/04/1206183004.db2.gz LTAPNRRMTOWZDV-UHFFFAOYSA-N 2 2 333.480 2.076 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NC[C@]34C[C@H]3CCC4)CC2)CC1 ZINC000927708176 1206293923 /nfs/dbraw/zinc/29/39/23/1206293923.db2.gz KUJWSMWWGRSWNZ-XLIONFOSSA-N 2 2 348.535 2.378 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NC[C@]34C[C@H]3CCC4)CC2)CC1 ZINC000927708176 1206293924 /nfs/dbraw/zinc/29/39/24/1206293924.db2.gz KUJWSMWWGRSWNZ-XLIONFOSSA-N 2 2 348.535 2.378 10 0 EEAELP 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OSEPURGHCZZBHU-MRXNPFEDSA-N 2 2 326.444 2.388 10 0 EEAELP C[N@H+](CCOc1ccccc1Cl)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903878723 1242291322 /nfs/dbraw/zinc/29/13/22/1242291322.db2.gz XNAPYAXFGCZVLK-CQSZACIVSA-N 2 2 349.866 2.367 10 0 EEAELP C[N@@H+](CCOc1ccccc1Cl)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903878723 1242291331 /nfs/dbraw/zinc/29/13/31/1242291331.db2.gz XNAPYAXFGCZVLK-CQSZACIVSA-N 2 2 349.866 2.367 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ncc(C)o2)C1 ZINC001491018492 1258575345 /nfs/dbraw/zinc/57/53/45/1258575345.db2.gz NIHFYOMWRHKONM-YUELXQCFSA-N 2 2 345.447 2.130 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001491047029 1258606323 /nfs/dbraw/zinc/60/63/23/1258606323.db2.gz GACKDVXQGXKGSE-JZXOWHBKSA-N 2 2 337.508 2.057 10 0 EEAELP CCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001491047029 1258606331 /nfs/dbraw/zinc/60/63/31/1258606331.db2.gz GACKDVXQGXKGSE-JZXOWHBKSA-N 2 2 337.508 2.057 10 0 EEAELP 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EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585194 1293572061 /nfs/dbraw/zinc/57/20/61/1293572061.db2.gz ANUDQDYEYNWLHW-ICSRJNTNSA-N 3 2 346.519 2.471 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585194 1293572064 /nfs/dbraw/zinc/57/20/64/1293572064.db2.gz ANUDQDYEYNWLHW-ICSRJNTNSA-N 3 2 346.519 2.471 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585194 1293572069 /nfs/dbraw/zinc/57/20/69/1293572069.db2.gz ANUDQDYEYNWLHW-ICSRJNTNSA-N 3 2 346.519 2.471 10 0 EEAELP CCc1nnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)o1 ZINC000856592930 1293576896 /nfs/dbraw/zinc/57/68/96/1293576896.db2.gz OFJOPSRNLHOMTR-INIZCTEOSA-N 2 2 345.447 2.132 10 0 EEAELP CCc1nnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)o1 ZINC000856592930 1293576904 /nfs/dbraw/zinc/57/69/04/1293576904.db2.gz OFJOPSRNLHOMTR-INIZCTEOSA-N 2 2 345.447 2.132 10 0 EEAELP CCc1nnc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)o1 ZINC000856592930 1293576907 /nfs/dbraw/zinc/57/69/07/1293576907.db2.gz OFJOPSRNLHOMTR-INIZCTEOSA-N 2 2 345.447 2.132 10 0 EEAELP CCc1nnc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)o1 ZINC000856592930 1293576909 /nfs/dbraw/zinc/57/69/09/1293576909.db2.gz OFJOPSRNLHOMTR-INIZCTEOSA-N 2 2 345.447 2.132 10 0 EEAELP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCc3c[nH]nc32)c2cccs2)CC1 ZINC000857845452 1293928954 /nfs/dbraw/zinc/92/89/54/1293928954.db2.gz JQLOILDEPJJFDF-HZPDHXFCSA-N 2 2 345.516 2.427 10 0 EEAELP COCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001277537709 1303852830 /nfs/dbraw/zinc/85/28/30/1303852830.db2.gz KFHQDUHRDCSQPV-IBGZPJMESA-N 2 2 348.491 2.038 10 0 EEAELP COCCCC[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001277537709 1303852835 /nfs/dbraw/zinc/85/28/35/1303852835.db2.gz KFHQDUHRDCSQPV-IBGZPJMESA-N 2 2 348.491 2.038 10 0 EEAELP Cc1cc(C)cc(OCC[NH2+][C@@H](C)CN(C)C(=O)Cc2[nH]cc[nH+]2)c1 ZINC001277979048 1305508395 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347.850 2.075 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264118364 1322631343 /nfs/dbraw/zinc/63/13/43/1322631343.db2.gz FVGPZEQLJHBFPC-JKSUJKDBSA-N 2 2 336.455 2.166 10 0 EEAELP CCOCCC[NH+]1CCC2(C[C@H](C)N(C(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC001264496940 1322710393 /nfs/dbraw/zinc/71/03/93/1322710393.db2.gz HCQTZRDGLHOUDT-INIZCTEOSA-N 2 2 348.491 2.082 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001265481570 1323176030 /nfs/dbraw/zinc/17/60/30/1323176030.db2.gz NYLZYPYYOIHPOB-JOCQHMNTSA-N 2 2 332.370 2.312 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001265481570 1323176036 /nfs/dbraw/zinc/17/60/36/1323176036.db2.gz NYLZYPYYOIHPOB-JOCQHMNTSA-N 2 2 332.370 2.312 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCCC[N@@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC001266166144 1323734429 /nfs/dbraw/zinc/73/44/29/1323734429.db2.gz QRKXLEKPUNYBST-UHFFFAOYSA-N 2 2 348.397 2.401 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCCC[N@H+](Cc1cc(F)cc(F)c1)C1CC1 ZINC001266166144 1323734436 /nfs/dbraw/zinc/73/44/36/1323734436.db2.gz QRKXLEKPUNYBST-UHFFFAOYSA-N 2 2 348.397 2.401 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001280444856 1324230507 /nfs/dbraw/zinc/23/05/07/1324230507.db2.gz GDOSBFCHNNZYPB-QGZVFWFLSA-N 2 2 331.460 2.404 10 0 EEAELP COCCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001281668813 1325385247 /nfs/dbraw/zinc/38/52/47/1325385247.db2.gz DYLUIZJMAPXVEF-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP COCCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001281668813 1325385254 /nfs/dbraw/zinc/38/52/54/1325385254.db2.gz DYLUIZJMAPXVEF-DZGCQCFKSA-N 2 2 330.432 2.182 10 0 EEAELP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001282872435 1325815974 /nfs/dbraw/zinc/81/59/74/1325815974.db2.gz VEFOBYVRUTWEPR-TVFCKZIOSA-N 2 2 344.503 2.320 10 0 EEAELP CCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)[C@@H]2C1 ZINC001282872435 1325815978 /nfs/dbraw/zinc/81/59/78/1325815978.db2.gz VEFOBYVRUTWEPR-TVFCKZIOSA-N 2 2 344.503 2.320 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+]CCCc2cccc(F)c2)C1 ZINC001316624240 1325925386 /nfs/dbraw/zinc/92/53/86/1325925386.db2.gz IBTZBIDRVWZWFC-MAEOIBBWSA-N 2 2 344.434 2.139 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@H+](CCCc2ccsc2)CC1 ZINC001284970344 1326802269 /nfs/dbraw/zinc/80/22/69/1326802269.db2.gz YUJDLEAAJKALIY-UHFFFAOYSA-N 2 2 344.484 2.395 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@@H+](CCCc2ccsc2)CC1 ZINC001284970344 1326802277 /nfs/dbraw/zinc/80/22/77/1326802277.db2.gz YUJDLEAAJKALIY-UHFFFAOYSA-N 2 2 344.484 2.395 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001491694514 1330209308 /nfs/dbraw/zinc/20/93/08/1330209308.db2.gz RLXIYDDXKUOTAR-WBMJQRKESA-N 2 2 332.835 2.318 10 0 EEAELP Cc1ncoc1C[N@@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491967558 1330364073 /nfs/dbraw/zinc/36/40/73/1330364073.db2.gz RGOSRKHTGSJCCX-INIZCTEOSA-N 2 2 345.447 2.083 10 0 EEAELP Cc1ncoc1C[N@H+](C)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001491967558 1330364084 /nfs/dbraw/zinc/36/40/84/1330364084.db2.gz RGOSRKHTGSJCCX-INIZCTEOSA-N 2 2 345.447 2.083 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CCc1ccccc1 ZINC001492084873 1330992676 /nfs/dbraw/zinc/99/26/76/1330992676.db2.gz DYTYBTCNYFVJGO-KBAYOESNSA-N 2 2 340.471 2.251 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317342864 1331384865 /nfs/dbraw/zinc/38/48/65/1331384865.db2.gz LORDEVPPBOUADT-LLVKDONJSA-N 2 2 331.247 2.018 10 0 EEAELP CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001316696062 1331671694 /nfs/dbraw/zinc/67/16/94/1331671694.db2.gz DPJYJSGPIAHHJK-FGTMMUONSA-N 2 2 339.524 2.114 10 0 EEAELP CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001316696062 1331671698 /nfs/dbraw/zinc/67/16/98/1331671698.db2.gz DPJYJSGPIAHHJK-FGTMMUONSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCCC[NH+](C)Cc1c(F)cccc1F ZINC001316868908 1331798463 /nfs/dbraw/zinc/79/84/63/1331798463.db2.gz BZTZBPPJQHAGTK-UHFFFAOYSA-N 2 2 327.419 2.243 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCCC[N@H+](C)Cc1c(F)cccc1F ZINC001316868908 1331798468 /nfs/dbraw/zinc/79/84/68/1331798468.db2.gz BZTZBPPJQHAGTK-UHFFFAOYSA-N 2 2 327.419 2.243 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCCC[N@@H+](C)Cc1c(F)cccc1F ZINC001316868908 1331798472 /nfs/dbraw/zinc/79/84/72/1331798472.db2.gz BZTZBPPJQHAGTK-UHFFFAOYSA-N 2 2 327.419 2.243 10 0 EEAELP COCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001316704385 1331833851 /nfs/dbraw/zinc/83/38/51/1331833851.db2.gz UXVNESYSNFFJDS-IKGGRYGDSA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001317152750 1332102062 /nfs/dbraw/zinc/10/20/62/1332102062.db2.gz NYBDARZKLUDDHR-IRXDYDNUSA-N 2 2 332.492 2.320 10 0 EEAELP C[NH+](C)Cc1cc(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)no1 ZINC001317187654 1332121811 /nfs/dbraw/zinc/12/18/11/1332121811.db2.gz HEQNVSFODXVFMM-VGVVRCBHSA-N 2 2 340.855 2.073 10 0 EEAELP CC(C)COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317504454 1332269590 /nfs/dbraw/zinc/26/95/90/1332269590.db2.gz XUBCWNHATQPZOG-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001317504454 1332269595 /nfs/dbraw/zinc/26/95/95/1332269595.db2.gz XUBCWNHATQPZOG-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@@H]2C[C@]23CCOC3)c(C)[nH+]1 ZINC001317612475 1332326817 /nfs/dbraw/zinc/32/68/17/1332326817.db2.gz YMGDOQYHEBVCDQ-LPHOPBHVSA-N 2 2 331.460 2.095 10 0 EEAELP C[NH+](C)CCCCC(=O)NC1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001318079727 1332468991 /nfs/dbraw/zinc/46/89/91/1332468991.db2.gz JBNLFVQBZKCQTA-LBPRGKRZSA-N 2 2 336.307 2.103 10 0 EEAELP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CCCOC)C1 ZINC001318473489 1332546317 /nfs/dbraw/zinc/54/63/17/1332546317.db2.gz NXRRVGCZUVCGEG-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP CCN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CCCOC)C1 ZINC001318473489 1332546322 /nfs/dbraw/zinc/54/63/22/1332546322.db2.gz NXRRVGCZUVCGEG-HNNXBMFYSA-N 2 2 330.432 2.136 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001319074671 1332645216 /nfs/dbraw/zinc/64/52/16/1332645216.db2.gz IMMNDNBEOGRLTP-QGZVFWFLSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]CCC1CCCC1 ZINC001319210208 1332665455 /nfs/dbraw/zinc/66/54/55/1332665455.db2.gz UAKNCEGLGVWTIQ-RDJZCZTQSA-N 2 2 332.492 2.368 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001319778794 1332765610 /nfs/dbraw/zinc/76/56/10/1332765610.db2.gz PAXAGAYHGHYDRO-KRWDZBQOSA-N 2 2 341.459 2.217 10 0 EEAELP Cc1noc(C)c1C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001319782248 1332766971 /nfs/dbraw/zinc/76/69/71/1332766971.db2.gz XRKNMJWCIQZBGD-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP C[C@@H](CC[NH2+]CC(F)(F)C(F)F)NC(=O)CC1CC[NH+](C)CC1 ZINC001320569314 1332911981 /nfs/dbraw/zinc/91/19/81/1332911981.db2.gz ITBVVBJXOLROMO-NSHDSACASA-N 2 2 341.393 2.103 10 0 EEAELP CCN(CC[NH2+]CC1CCC1)C(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001320863169 1332967662 /nfs/dbraw/zinc/96/76/62/1332967662.db2.gz DNSKKVICHXGYBS-UHFFFAOYSA-N 2 2 328.460 2.423 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]CC[C@@H]3CCCO3)ccn12 ZINC001321065129 1333009479 /nfs/dbraw/zinc/00/94/79/1333009479.db2.gz QNVNRDWANLJWFS-YATRRXNKSA-N 2 2 342.443 2.087 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+][C@@H]1CCc2c1cccc2F ZINC001321262232 1333058151 /nfs/dbraw/zinc/05/81/51/1333058151.db2.gz ONAAIDJGRNXADL-NLVOMGJBSA-N 2 2 328.391 2.041 10 0 EEAELP Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001321272074 1333060471 /nfs/dbraw/zinc/06/04/71/1333060471.db2.gz RKHGKYUUPWWJGI-ZFDPJTLLSA-N 2 2 347.488 2.370 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC/C=C\c1ccccc1 ZINC001322059412 1333203381 /nfs/dbraw/zinc/20/33/81/1333203381.db2.gz GMPUMTQADIHDAZ-MLBQELRYSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1conc1C[NH2+]CCCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001322512601 1333274443 /nfs/dbraw/zinc/27/44/43/1333274443.db2.gz XSZJZDDVTFCPFX-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP CCOCCC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001324627262 1333726295 /nfs/dbraw/zinc/72/62/95/1333726295.db2.gz AYEGOCHWILXMMR-SFHVURJKSA-N 2 2 330.432 2.184 10 0 EEAELP CCOCCC[N@H+]1CC[C@](C)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001324627262 1333726299 /nfs/dbraw/zinc/72/62/99/1333726299.db2.gz AYEGOCHWILXMMR-SFHVURJKSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)c1 ZINC001326325298 1334068446 /nfs/dbraw/zinc/06/84/46/1334068446.db2.gz IEVFPWGTTCIFRB-KRWDZBQOSA-N 2 2 341.459 2.005 10 0 EEAELP C[C@H](CC(=O)N1CC[C@H](CC[NH2+]Cc2nccs2)C1)n1cc[nH+]c1 ZINC001326378778 1334079718 /nfs/dbraw/zinc/07/97/18/1334079718.db2.gz BORJFXSTIZWGNG-CABCVRRESA-N 2 2 347.488 2.319 10 0 EEAELP CCCCOCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001327883703 1334359207 /nfs/dbraw/zinc/35/92/07/1334359207.db2.gz WKXFWNMBNBHKNZ-KBXCAEBGSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)[C@H](C)[NH2+]CCOCC1CCC1 ZINC001329068721 1334578799 /nfs/dbraw/zinc/57/87/99/1334578799.db2.gz MNRNJJFOIVAYRR-UONOGXRCSA-N 2 2 344.459 2.476 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]CCC(F)(F)F)CCCCC1 ZINC001329861202 1334729113 /nfs/dbraw/zinc/72/91/13/1334729113.db2.gz QDXAEAQMKQHRHY-UHFFFAOYSA-N 2 2 332.370 2.244 10 0 EEAELP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001333088607 1335960577 /nfs/dbraw/zinc/96/05/77/1335960577.db2.gz ITCPTMASNWNDQR-MGXIWDSBSA-N 2 2 330.476 2.381 10 0 EEAELP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](Cc2nc(C)cs2)CC1 ZINC001333432209 1336044600 /nfs/dbraw/zinc/04/46/00/1336044600.db2.gz MAPHSBKSMPADEB-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CC[N@@H+](C)CCC(=O)NCC1=CC[NH+](Cc2nc(C)cs2)CC1 ZINC001333432209 1336044605 /nfs/dbraw/zinc/04/46/05/1336044605.db2.gz MAPHSBKSMPADEB-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CC[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2nc(C)cs2)CC1 ZINC001333432209 1336044610 /nfs/dbraw/zinc/04/46/10/1336044610.db2.gz MAPHSBKSMPADEB-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CC[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2nc(C)cs2)CC1 ZINC001333432209 1336044613 /nfs/dbraw/zinc/04/46/13/1336044613.db2.gz MAPHSBKSMPADEB-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP C[NH+](C)CCCCC(=O)NCC1=CC[N@H+](Cc2cncc(F)c2)CC1 ZINC001333433468 1336046558 /nfs/dbraw/zinc/04/65/58/1336046558.db2.gz PUZVPNUHBCENJD-UHFFFAOYSA-N 2 2 348.466 2.201 10 0 EEAELP C[NH+](C)CCCCC(=O)NCC1=CC[N@@H+](Cc2cncc(F)c2)CC1 ZINC001333433468 1336046560 /nfs/dbraw/zinc/04/65/60/1336046560.db2.gz PUZVPNUHBCENJD-UHFFFAOYSA-N 2 2 348.466 2.201 10 0 EEAELP C[C@@]12C[NH+](CCNC(=O)C3CC3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC001434482311 1341854857 /nfs/dbraw/zinc/85/48/57/1341854857.db2.gz WJUNAGLIVASQRH-SFTDATJTSA-N 2 2 341.499 2.357 10 0 EEAELP C[C@@]1(C[NH2+]Cc2ccsc2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001500352003 1342177692 /nfs/dbraw/zinc/17/76/92/1342177692.db2.gz LQZDEIUHUSMALN-KRWDZBQOSA-N 2 2 332.473 2.432 10 0 EEAELP C[C@@]1(C[NH2+]Cc2ccsc2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001500352003 1342177695 /nfs/dbraw/zinc/17/76/95/1342177695.db2.gz LQZDEIUHUSMALN-KRWDZBQOSA-N 2 2 332.473 2.432 10 0 EEAELP COC(=O)/C=C\c1ccc(OCC[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC001560136814 1342508278 /nfs/dbraw/zinc/50/82/78/1342508278.db2.gz FWKCPHZHZFOMNQ-ZWYKBDPPSA-N 2 2 344.455 2.420 10 0 EEAELP COC(=O)/C=C\c1ccc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC001560136814 1342508283 /nfs/dbraw/zinc/50/82/83/1342508283.db2.gz FWKCPHZHZFOMNQ-ZWYKBDPPSA-N 2 2 344.455 2.420 10 0 EEAELP COC(=O)/C=C\c1ccc(OCC[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC001560136814 1342508286 /nfs/dbraw/zinc/50/82/86/1342508286.db2.gz FWKCPHZHZFOMNQ-ZWYKBDPPSA-N 2 2 344.455 2.420 10 0 EEAELP COC(=O)/C=C\c1ccc(OCC[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC001560136814 1342508290 /nfs/dbraw/zinc/50/82/90/1342508290.db2.gz FWKCPHZHZFOMNQ-ZWYKBDPPSA-N 2 2 344.455 2.420 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001571327394 1343182138 /nfs/dbraw/zinc/18/21/38/1343182138.db2.gz OUECHMJEZYSRJC-HNNXBMFYSA-N 2 2 332.423 2.405 10 0 EEAELP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCN(C)c3cccc[nH+]3)C[N@@H+]2C1 ZINC001650905982 1354033147 /nfs/dbraw/zinc/03/31/47/1354033147.db2.gz NCJCCHUHQGZFIV-BRWVUGGUSA-N 2 2 330.476 2.145 10 0 EEAELP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NCCCN(C)c3cccc[nH+]3)C[N@H+]2C1 ZINC001650905982 1354033148 /nfs/dbraw/zinc/03/31/48/1354033148.db2.gz NCJCCHUHQGZFIV-BRWVUGGUSA-N 2 2 330.476 2.145 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001656173622 1354210730 /nfs/dbraw/zinc/21/07/30/1354210730.db2.gz UYBNWEZOPCGWTM-HDICACEKSA-N 2 2 340.471 2.378 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001656235521 1354217664 /nfs/dbraw/zinc/21/76/64/1354217664.db2.gz VIEOPYGJIADJOL-JOCQHMNTSA-N 2 2 346.397 2.478 10 0 EEAELP CCCCCC[C@](O)(C[NH+]1CCC([NH2+]C(C)C)CC1)C(=O)OC ZINC001657774786 1354346562 /nfs/dbraw/zinc/34/65/62/1354346562.db2.gz SGHHRKMHBWTWMR-SFHVURJKSA-N 2 2 328.497 2.323 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001663598026 1354996524 /nfs/dbraw/zinc/99/65/24/1354996524.db2.gz HPITZJNVXXPYLJ-NMBNSIPYSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001663598026 1354996526 /nfs/dbraw/zinc/99/65/26/1354996526.db2.gz HPITZJNVXXPYLJ-NMBNSIPYSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001665686329 1355359194 /nfs/dbraw/zinc/35/91/94/1355359194.db2.gz HYYPMGBHQSUAFN-HNNXBMFYSA-N 2 2 338.883 2.108 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(Cl)nc2)C1 ZINC001665686329 1355359199 /nfs/dbraw/zinc/35/91/99/1355359199.db2.gz HYYPMGBHQSUAFN-HNNXBMFYSA-N 2 2 338.883 2.108 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC001665686329 1355359201 /nfs/dbraw/zinc/35/92/01/1355359201.db2.gz HYYPMGBHQSUAFN-HNNXBMFYSA-N 2 2 338.883 2.108 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC001665686329 1355359207 /nfs/dbraw/zinc/35/92/07/1355359207.db2.gz HYYPMGBHQSUAFN-HNNXBMFYSA-N 2 2 338.883 2.108 10 0 EEAELP C[C@H](C[NH2+]CCC[C@H]1CCOC1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001666933356 1355617422 /nfs/dbraw/zinc/61/74/22/1355617422.db2.gz QTQDRVPXXWZRIV-CABCVRRESA-N 2 2 344.459 2.430 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)cs1 ZINC001667296835 1355702039 /nfs/dbraw/zinc/70/20/39/1355702039.db2.gz UMFYXXSZBAVGNO-OAHLLOKOSA-N 2 2 347.488 2.278 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1CC[NH2+]C[C@H]1CCOC1 ZINC001667307507 1355705987 /nfs/dbraw/zinc/70/59/87/1355705987.db2.gz ZDKRCKYOWKDZHW-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]C[C@H]1CCOC1 ZINC001667307506 1355706255 /nfs/dbraw/zinc/70/62/55/1355706255.db2.gz ZDKRCKYOWKDZHW-MSOLQXFVSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1C[NH2+]CCc1cccs1 ZINC001667395281 1355731304 /nfs/dbraw/zinc/73/13/04/1355731304.db2.gz ZBTAUGLYVHEQSE-WMLDXEAASA-N 2 2 346.500 2.473 10 0 EEAELP COCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001667737228 1355802525 /nfs/dbraw/zinc/80/25/25/1355802525.db2.gz DLLGSEGKLJZSNZ-WMZOPIPTSA-N 2 2 342.443 2.007 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CCc2c[nH]c[nH+]2)s1 ZINC001668086674 1355866341 /nfs/dbraw/zinc/86/63/41/1355866341.db2.gz GZWSGTXBVNLORU-NSHDSACASA-N 2 2 335.477 2.100 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)CCc2c[nH+]c[nH]2)s1 ZINC001668086674 1355866343 /nfs/dbraw/zinc/86/63/43/1355866343.db2.gz GZWSGTXBVNLORU-NSHDSACASA-N 2 2 335.477 2.100 10 0 EEAELP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001668570300 1355965102 /nfs/dbraw/zinc/96/51/02/1355965102.db2.gz QUUGMSOADQWAOT-ZDUSSCGKSA-N 2 2 328.407 2.318 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCc2ccccc2C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001668596778 1355969284 /nfs/dbraw/zinc/96/92/84/1355969284.db2.gz HAWFXSAYYDMQGC-INIZCTEOSA-N 2 2 340.471 2.195 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)C2CC[NH+](C(C)C)CC2)o1 ZINC001669118044 1356099582 /nfs/dbraw/zinc/09/95/82/1356099582.db2.gz FXRUYHLVVBGMNE-KJPDOMRESA-N 2 2 348.491 2.426 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1 ZINC001669161870 1356111902 /nfs/dbraw/zinc/11/19/02/1356111902.db2.gz KFQQHVPGSUSNCU-NSCUHMNNSA-N 2 2 330.476 2.493 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1cc(F)cc(F)c1 ZINC001669163162 1356113378 /nfs/dbraw/zinc/11/33/78/1356113378.db2.gz WXVSGHDFSKISTM-IHWYPQMZSA-N 2 2 334.370 2.001 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001670197221 1356295149 /nfs/dbraw/zinc/29/51/49/1356295149.db2.gz SDORIMHFZHMVBU-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCO[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001673298572 1356663435 /nfs/dbraw/zinc/66/34/35/1356663435.db2.gz KTAUFGIEUMBENT-GOSISDBHSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@H](C)C[NH2+]CCCc1ccccc1 ZINC001698854369 1405112591 /nfs/dbraw/zinc/11/25/91/1405112591.db2.gz IASMFLXPRXSKDF-OAHLLOKOSA-N 2 2 328.460 2.330 10 0 EEAELP COc1cccc(C[NH2+]CCCN(C)C(=O)Cc2[nH]c[nH+]c2C)c1C ZINC001699549082 1405383903 /nfs/dbraw/zinc/38/39/03/1405383903.db2.gz SZARTFKXSBOTSD-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP COCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001699697663 1405452401 /nfs/dbraw/zinc/45/24/01/1405452401.db2.gz RHXVXHHNTWBYRX-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP COCCCCC[N@H+]1CCC[C@@]2(CCN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001699697663 1405452402 /nfs/dbraw/zinc/45/24/02/1405452402.db2.gz RHXVXHHNTWBYRX-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000925834519 778967058 /nfs/dbraw/zinc/96/70/58/778967058.db2.gz INEIDMAYHKIYPY-RISCZKNCSA-N 2 2 326.366 2.487 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc(Br)c1 ZINC000819323007 785505815 /nfs/dbraw/zinc/50/58/15/785505815.db2.gz YANIGULGKSJQDN-IUODEOHRSA-N 2 2 336.233 2.353 10 0 EEAELP Cc1cnc(Cl)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000921522767 788834408 /nfs/dbraw/zinc/83/44/08/788834408.db2.gz SIUYSSVMFDQEJR-UHFFFAOYSA-N 2 2 345.878 2.480 10 0 EEAELP C[NH+]1CCC2(CCCN(C(=O)Cc3cn4c([nH+]3)CCCC4)C2)CC1 ZINC000846062448 790049762 /nfs/dbraw/zinc/04/97/62/790049762.db2.gz ACQAJNHJCHRLPF-UHFFFAOYSA-N 2 2 330.476 2.096 10 0 EEAELP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000921695500 795390598 /nfs/dbraw/zinc/39/05/98/795390598.db2.gz UTRXYDUMQLEMJL-OWCLPIDISA-N 2 2 336.867 2.089 10 0 EEAELP C[N@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000921695500 795390606 /nfs/dbraw/zinc/39/06/06/795390606.db2.gz UTRXYDUMQLEMJL-OWCLPIDISA-N 2 2 336.867 2.089 10 0 EEAELP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000921695500 795390615 /nfs/dbraw/zinc/39/06/15/795390615.db2.gz UTRXYDUMQLEMJL-OWCLPIDISA-N 2 2 336.867 2.089 10 0 EEAELP C[NH+]1CC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000921695500 795390625 /nfs/dbraw/zinc/39/06/25/795390625.db2.gz UTRXYDUMQLEMJL-OWCLPIDISA-N 2 2 336.867 2.089 10 0 EEAELP CS(=O)(=O)C1CC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000716093332 795602415 /nfs/dbraw/zinc/60/24/15/795602415.db2.gz WEBWGDUFHVBESR-TXQZXFLYSA-N 2 2 348.512 2.062 10 0 EEAELP CS(=O)(=O)C1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000716093332 795602419 /nfs/dbraw/zinc/60/24/19/795602419.db2.gz WEBWGDUFHVBESR-TXQZXFLYSA-N 2 2 348.512 2.062 10 0 EEAELP O=c1[nH]c2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2o1 ZINC000921737757 795656003 /nfs/dbraw/zinc/65/60/03/795656003.db2.gz JRQFZBQNFXQYDB-HNNXBMFYSA-N 2 2 331.416 2.266 10 0 EEAELP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1n[nH]c3ccccc31)C2 ZINC000922386396 800944166 /nfs/dbraw/zinc/94/41/66/800944166.db2.gz HCZVMAWNVNJILH-NXWXRZEISA-N 2 2 328.460 2.132 10 0 EEAELP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1n[nH]c3ccccc31)C2 ZINC000922386396 800944169 /nfs/dbraw/zinc/94/41/69/800944169.db2.gz HCZVMAWNVNJILH-NXWXRZEISA-N 2 2 328.460 2.132 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)CC[C@@H]3CCCO3)ccn12 ZINC001566453917 1125613373 /nfs/dbraw/zinc/61/33/73/1125613373.db2.gz KJKDFBPCLDSEBF-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)CC[C@@H]3CCCO3)ccn12 ZINC001566453917 1125613381 /nfs/dbraw/zinc/61/33/81/1125613381.db2.gz KJKDFBPCLDSEBF-KRWDZBQOSA-N 2 2 344.459 2.264 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCCC1CCC1 ZINC001566468099 1125627744 /nfs/dbraw/zinc/62/77/44/1125627744.db2.gz QGICVGQIVZWGNN-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCCC1CCC1 ZINC001566468099 1125627747 /nfs/dbraw/zinc/62/77/47/1125627747.db2.gz QGICVGQIVZWGNN-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCC(F)(F)C1 ZINC001566521016 1125692689 /nfs/dbraw/zinc/69/26/89/1125692689.db2.gz HVQNOFUPWNCMSR-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C[C@@H]1CCCC(F)(F)C1 ZINC001566521016 1125692694 /nfs/dbraw/zinc/69/26/94/1125692694.db2.gz HVQNOFUPWNCMSR-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001436412266 1087764058 /nfs/dbraw/zinc/76/40/58/1087764058.db2.gz GFLNWIBGYLVHEM-DOTOQJQBSA-N 2 2 341.459 2.120 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001436412266 1087764067 /nfs/dbraw/zinc/76/40/67/1087764067.db2.gz GFLNWIBGYLVHEM-DOTOQJQBSA-N 2 2 341.459 2.120 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C1)c1ccccc1 ZINC001436746415 1088236169 /nfs/dbraw/zinc/23/61/69/1088236169.db2.gz XFNDHMRBFNLBME-LSDHHAIUSA-N 2 2 343.393 2.432 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C1)c1ccccc1 ZINC001436746415 1088236180 /nfs/dbraw/zinc/23/61/80/1088236180.db2.gz XFNDHMRBFNLBME-LSDHHAIUSA-N 2 2 343.393 2.432 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]([NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001436833848 1088452911 /nfs/dbraw/zinc/45/29/11/1088452911.db2.gz DSIWGFMRPFDQPU-QGZVFWFLSA-N 2 2 348.397 2.223 10 0 EEAELP Cc1conc1C[N@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001437031383 1088848633 /nfs/dbraw/zinc/84/86/33/1088848633.db2.gz AXIZFIKCERIKNZ-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1conc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001437031383 1088848647 /nfs/dbraw/zinc/84/86/47/1088848647.db2.gz AXIZFIKCERIKNZ-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1nc2ccccc2o1 ZINC001437471163 1089800991 /nfs/dbraw/zinc/80/09/91/1089800991.db2.gz LZHJDANNCFHQKT-INIZCTEOSA-N 2 2 344.459 2.250 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1nc2ccccc2o1 ZINC001437471163 1089801008 /nfs/dbraw/zinc/80/10/08/1089801008.db2.gz LZHJDANNCFHQKT-INIZCTEOSA-N 2 2 344.459 2.250 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC001437471163 1089801022 /nfs/dbraw/zinc/80/10/22/1089801022.db2.gz LZHJDANNCFHQKT-INIZCTEOSA-N 2 2 344.459 2.250 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001437471163 1089801043 /nfs/dbraw/zinc/80/10/43/1089801043.db2.gz LZHJDANNCFHQKT-INIZCTEOSA-N 2 2 344.459 2.250 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NCC[N@H+](C)Cc1cncc(F)c1)c1ccccc1 ZINC001437568596 1090050111 /nfs/dbraw/zinc/05/01/11/1090050111.db2.gz BWTLEAWIUSPVAR-GOSISDBHSA-N 2 2 344.434 2.072 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)Cc1cncc(F)c1)c1ccccc1 ZINC001437568596 1090050121 /nfs/dbraw/zinc/05/01/21/1090050121.db2.gz BWTLEAWIUSPVAR-GOSISDBHSA-N 2 2 344.434 2.072 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCC1C[NH+]([C@H](C)c2ccc(F)cc2F)C1 ZINC001438155931 1090670609 /nfs/dbraw/zinc/67/06/09/1090670609.db2.gz DFYLJXFIROTEIO-CYBMUJFWSA-N 2 2 339.430 2.414 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC1C[NH+]([C@H](C)c2ccc(F)cc2F)C1 ZINC001438155931 1090670610 /nfs/dbraw/zinc/67/06/10/1090670610.db2.gz DFYLJXFIROTEIO-CYBMUJFWSA-N 2 2 339.430 2.414 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC1CC(F)(F)C1 ZINC001438327558 1090801309 /nfs/dbraw/zinc/80/13/09/1090801309.db2.gz HYGMKNSFNCYNQO-BFHYXJOUSA-N 2 2 340.418 2.053 10 0 EEAELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001438349217 1090826208 /nfs/dbraw/zinc/82/62/08/1090826208.db2.gz PKCFDFDTACJKQP-CZUORRHYSA-N 2 2 332.423 2.412 10 0 EEAELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001438349217 1090826211 /nfs/dbraw/zinc/82/62/11/1090826211.db2.gz PKCFDFDTACJKQP-CZUORRHYSA-N 2 2 332.423 2.412 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@H]1C ZINC001438432752 1090934006 /nfs/dbraw/zinc/93/40/06/1090934006.db2.gz QNNLLPVOPONVGR-ACJLOTCBSA-N 2 2 345.447 2.104 10 0 EEAELP C[C@@H](C[NH2+]C/C(Cl)=C\Cl)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001445537836 1091306224 /nfs/dbraw/zinc/30/62/24/1091306224.db2.gz MAEAEBGSFSZSBW-WBOGTDJTSA-N 2 2 345.274 2.175 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439124807 1091768255 /nfs/dbraw/zinc/76/82/55/1091768255.db2.gz JLKNJVIAESLNLV-DIFFPNOSSA-N 2 2 348.397 2.402 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439124807 1091768258 /nfs/dbraw/zinc/76/82/58/1091768258.db2.gz JLKNJVIAESLNLV-DIFFPNOSSA-N 2 2 348.397 2.402 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001439130658 1091775603 /nfs/dbraw/zinc/77/56/03/1091775603.db2.gz PNOXSGFMGNFNEI-DOMZBBRYSA-N 2 2 332.473 2.110 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001439130729 1091776033 /nfs/dbraw/zinc/77/60/33/1091776033.db2.gz QJOFCDOFRYFNLQ-OLZOCXBDSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@H](C[N@H+](C)Cc1nsc2ccccc12)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445873666 1091800060 /nfs/dbraw/zinc/80/00/60/1091800060.db2.gz SVRJCADGWSNDIL-KGLIPLIRSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1nsc2ccccc12)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001445873666 1091800066 /nfs/dbraw/zinc/80/00/66/1091800066.db2.gz SVRJCADGWSNDIL-KGLIPLIRSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@H](C[NH+](C)Cc1nsc2ccccc12)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445873666 1091800070 /nfs/dbraw/zinc/80/00/70/1091800070.db2.gz SVRJCADGWSNDIL-KGLIPLIRSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@H](C[NH+](C)Cc1nsc2ccccc12)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445873666 1091800075 /nfs/dbraw/zinc/80/00/75/1091800075.db2.gz SVRJCADGWSNDIL-KGLIPLIRSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001439323909 1091999154 /nfs/dbraw/zinc/99/91/54/1091999154.db2.gz HCTAJBLLGHKVEN-SUMWQHHRSA-N 2 2 333.480 2.027 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CCC1)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001439323909 1091999158 /nfs/dbraw/zinc/99/91/58/1091999158.db2.gz HCTAJBLLGHKVEN-SUMWQHHRSA-N 2 2 333.480 2.027 10 0 EEAELP C[C@@H](C[NH+](C)CC1CCC1)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001439323909 1091999163 /nfs/dbraw/zinc/99/91/63/1091999163.db2.gz HCTAJBLLGHKVEN-SUMWQHHRSA-N 2 2 333.480 2.027 10 0 EEAELP C[C@@H](C[NH+](C)CC1CCC1)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001439323909 1091999169 /nfs/dbraw/zinc/99/91/69/1091999169.db2.gz HCTAJBLLGHKVEN-SUMWQHHRSA-N 2 2 333.480 2.027 10 0 EEAELP CC(C)c1ocnc1C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439366614 1092094424 /nfs/dbraw/zinc/09/44/24/1092094424.db2.gz NFYBUQIMQIXXFI-HUUCEWRRSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001439366614 1092094435 /nfs/dbraw/zinc/09/44/35/1092094435.db2.gz NFYBUQIMQIXXFI-HUUCEWRRSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001439366614 1092094441 /nfs/dbraw/zinc/09/44/41/1092094441.db2.gz NFYBUQIMQIXXFI-HUUCEWRRSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001439366614 1092094455 /nfs/dbraw/zinc/09/44/55/1092094455.db2.gz NFYBUQIMQIXXFI-HUUCEWRRSA-N 2 2 336.480 2.076 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C[NH2+]Cc2cncs2)C2CC2)c[nH+]1 ZINC001439460961 1092239878 /nfs/dbraw/zinc/23/98/78/1092239878.db2.gz FYGNWAYKGKTYFQ-OAHLLOKOSA-N 2 2 347.488 2.068 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC[N@H+](C[C@H]1CCOC1)C1CCCCCC1 ZINC001439685408 1092629249 /nfs/dbraw/zinc/62/92/49/1092629249.db2.gz BYQVMXUYMHGRKF-MRXNPFEDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC[N@@H+](C[C@H]1CCOC1)C1CCCCCC1 ZINC001439685408 1092629257 /nfs/dbraw/zinc/62/92/57/1092629257.db2.gz BYQVMXUYMHGRKF-MRXNPFEDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC001440466965 1093690776 /nfs/dbraw/zinc/69/07/76/1093690776.db2.gz VITRQJDGIFPVQX-ROUUACIJSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)sn1 ZINC001448731885 1093801869 /nfs/dbraw/zinc/80/18/69/1093801869.db2.gz LVOKXSDNTNGOGU-UONOGXRCSA-N 2 2 335.477 2.236 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001448745510 1093816148 /nfs/dbraw/zinc/81/61/48/1093816148.db2.gz HAFHVZRQZRJEFK-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cn2)[C@@H]1C ZINC001449024787 1094031707 /nfs/dbraw/zinc/03/17/07/1094031707.db2.gz FXSYQYUILSUUSN-RHSMWYFYSA-N 2 2 336.455 2.030 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(F)cn2)[C@@H]1C ZINC001449024787 1094031715 /nfs/dbraw/zinc/03/17/15/1094031715.db2.gz FXSYQYUILSUUSN-RHSMWYFYSA-N 2 2 336.455 2.030 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)[C@@H]1C ZINC001449024787 1094031727 /nfs/dbraw/zinc/03/17/27/1094031727.db2.gz FXSYQYUILSUUSN-RHSMWYFYSA-N 2 2 336.455 2.030 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001440841561 1094097726 /nfs/dbraw/zinc/09/77/26/1094097726.db2.gz VMDNYZPOVJJCPP-KBPBESRZSA-N 2 2 326.444 2.124 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1cccc(F)c1)C(=O)Cn1cc[nH+]c1 ZINC001449280701 1094230089 /nfs/dbraw/zinc/23/00/89/1094230089.db2.gz PJCGHDBMTATBSU-UHFFFAOYSA-N 2 2 332.423 2.391 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1cccc(F)c1)C(=O)Cn1cc[nH+]c1 ZINC001449280701 1094230093 /nfs/dbraw/zinc/23/00/93/1094230093.db2.gz PJCGHDBMTATBSU-UHFFFAOYSA-N 2 2 332.423 2.391 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](CCN(C)C(=O)Cc1[nH]c[nH+]c1C)C(C)C ZINC001441087454 1094383952 /nfs/dbraw/zinc/38/39/52/1094383952.db2.gz BTRVIFAAZLVWCB-HNNXBMFYSA-N 2 2 347.463 2.220 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001441221305 1094587129 /nfs/dbraw/zinc/58/71/29/1094587129.db2.gz DDGDRYGMPLMTSG-HUUCEWRRSA-N 2 2 342.443 2.089 10 0 EEAELP Cc1nc(C[NH+]2CCCC3(CN(C(=O)C[N@@H+](C)C(C)C)C3)C2)c(C)o1 ZINC001441339406 1094827087 /nfs/dbraw/zinc/82/70/87/1094827087.db2.gz OXJCYXDOUDDGIF-UHFFFAOYSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1nc(C[NH+]2CCCC3(CN(C(=O)C[N@H+](C)C(C)C)C3)C2)c(C)o1 ZINC001441339406 1094827096 /nfs/dbraw/zinc/82/70/96/1094827096.db2.gz OXJCYXDOUDDGIF-UHFFFAOYSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1nc(C[N@H+]2CCCC3(CN(C(=O)C[NH+](C)C(C)C)C3)C2)c(C)o1 ZINC001441339406 1094827116 /nfs/dbraw/zinc/82/71/16/1094827116.db2.gz OXJCYXDOUDDGIF-UHFFFAOYSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC3(CN(C(=O)C[NH+](C)C(C)C)C3)C2)c(C)o1 ZINC001441339406 1094827129 /nfs/dbraw/zinc/82/71/29/1094827129.db2.gz OXJCYXDOUDDGIF-UHFFFAOYSA-N 2 2 348.491 2.056 10 0 EEAELP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001441380980 1094919490 /nfs/dbraw/zinc/91/94/90/1094919490.db2.gz FRIBNXAXTAUSNB-HZPDHXFCSA-N 2 2 332.492 2.414 10 0 EEAELP CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001441380980 1094919497 /nfs/dbraw/zinc/91/94/97/1094919497.db2.gz FRIBNXAXTAUSNB-HZPDHXFCSA-N 2 2 332.492 2.414 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCC1CCCC1 ZINC001441558496 1095303134 /nfs/dbraw/zinc/30/31/34/1095303134.db2.gz ODVHSUOOPRZKFD-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]C/C(Cl)=C\Cl)C1 ZINC001441611116 1095470847 /nfs/dbraw/zinc/47/08/47/1095470847.db2.gz ASVNBXZQAMHGPO-DTCSVVGVSA-N 2 2 331.247 2.030 10 0 EEAELP CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001441861337 1095964504 /nfs/dbraw/zinc/96/45/04/1095964504.db2.gz DAZPHLSIDLMTDQ-QAPCUYQASA-N 2 2 340.471 2.302 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]Cc1ccccc1 ZINC001441867363 1095978082 /nfs/dbraw/zinc/97/80/82/1095978082.db2.gz POKBDGXIZUOOCE-KSSFIOAISA-N 2 2 341.459 2.085 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+]Cc1ccccc1 ZINC001441867363 1095978084 /nfs/dbraw/zinc/97/80/84/1095978084.db2.gz POKBDGXIZUOOCE-KSSFIOAISA-N 2 2 341.459 2.085 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H]2C)s1 ZINC001441901134 1096057904 /nfs/dbraw/zinc/05/79/04/1096057904.db2.gz WHYZUUZBKTZLGI-XJKSGUPXSA-N 2 2 347.488 2.207 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H](NC(=O)CCn3cc[nH+]c3)[C@@H]2C)s1 ZINC001441901134 1096057913 /nfs/dbraw/zinc/05/79/13/1096057913.db2.gz WHYZUUZBKTZLGI-XJKSGUPXSA-N 2 2 347.488 2.207 10 0 EEAELP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@@H](C)n3cc[nH+]c3)C2)cs1 ZINC001442257027 1096559641 /nfs/dbraw/zinc/55/96/41/1096559641.db2.gz UXVNOZFYQRRLJG-XEBKBJJBSA-N 2 2 347.488 2.378 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)c1cc(F)ccc1F ZINC001442620401 1096989512 /nfs/dbraw/zinc/98/95/12/1096989512.db2.gz NGPZWAUHTQZYDT-ZDUSSCGKSA-N 2 2 327.419 2.414 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC001442620401 1096989516 /nfs/dbraw/zinc/98/95/16/1096989516.db2.gz NGPZWAUHTQZYDT-ZDUSSCGKSA-N 2 2 327.419 2.414 10 0 EEAELP CC(C)[NH+](C)CC(=O)NCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC001442620401 1096989518 /nfs/dbraw/zinc/98/95/18/1096989518.db2.gz NGPZWAUHTQZYDT-ZDUSSCGKSA-N 2 2 327.419 2.414 10 0 EEAELP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1nc2ccccc2o1 ZINC001442718667 1097089757 /nfs/dbraw/zinc/08/97/57/1097089757.db2.gz NMQQYBPWUCAXIC-OAHLLOKOSA-N 2 2 344.459 2.108 10 0 EEAELP CC[N@@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)Cc1nc2ccccc2o1 ZINC001442718667 1097089765 /nfs/dbraw/zinc/08/97/65/1097089765.db2.gz NMQQYBPWUCAXIC-OAHLLOKOSA-N 2 2 344.459 2.108 10 0 EEAELP CC[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)Cc1nc2ccccc2o1 ZINC001442718667 1097089771 /nfs/dbraw/zinc/08/97/71/1097089771.db2.gz NMQQYBPWUCAXIC-OAHLLOKOSA-N 2 2 344.459 2.108 10 0 EEAELP CC[NH+](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Cc1nc2ccccc2o1 ZINC001442718667 1097089777 /nfs/dbraw/zinc/08/97/77/1097089777.db2.gz NMQQYBPWUCAXIC-OAHLLOKOSA-N 2 2 344.459 2.108 10 0 EEAELP CCN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001443860259 1098383083 /nfs/dbraw/zinc/38/30/83/1098383083.db2.gz CUQHRAUDCMSKCR-QGZVFWFLSA-N 2 2 332.492 2.466 10 0 EEAELP CCN(C(=O)CCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001443860259 1098383089 /nfs/dbraw/zinc/38/30/89/1098383089.db2.gz CUQHRAUDCMSKCR-QGZVFWFLSA-N 2 2 332.492 2.466 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC(C)(C)C1 ZINC001443961333 1098480315 /nfs/dbraw/zinc/48/03/15/1098480315.db2.gz UOVBSGYXVUIHDA-CVEARBPZSA-N 2 2 332.492 2.366 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@@H+]1Cc1cnoc1C ZINC001479642327 1098671730 /nfs/dbraw/zinc/67/17/30/1098671730.db2.gz JKSHTNLTCRSARL-XOKHGSTOSA-N 2 2 345.447 2.300 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)CC[N@H+]1Cc1cnoc1C ZINC001479642327 1098671732 /nfs/dbraw/zinc/67/17/32/1098671732.db2.gz JKSHTNLTCRSARL-XOKHGSTOSA-N 2 2 345.447 2.300 10 0 EEAELP C[N@H+](CCC1CCOCC1)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001479740660 1098859046 /nfs/dbraw/zinc/85/90/46/1098859046.db2.gz PIZZXYQDZMIGGL-SFHVURJKSA-N 2 2 348.491 2.013 10 0 EEAELP C[N@@H+](CCC1CCOCC1)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001479740660 1098859055 /nfs/dbraw/zinc/85/90/55/1098859055.db2.gz PIZZXYQDZMIGGL-SFHVURJKSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCC[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001479892265 1099267283 /nfs/dbraw/zinc/26/72/83/1099267283.db2.gz BFBATOYSBMWCCS-MRXNPFEDSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]Cc2cncc(F)c2)c[nH+]1 ZINC001444632206 1099459060 /nfs/dbraw/zinc/45/90/60/1099459060.db2.gz DAGYGMDYNCXDBF-AWEZNQCLSA-N 2 2 347.438 2.097 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C1CC1 ZINC001480068211 1099603330 /nfs/dbraw/zinc/60/33/30/1099603330.db2.gz FBTVUHCVBJSCRM-MRXNPFEDSA-N 2 2 332.835 2.221 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001480118873 1099683635 /nfs/dbraw/zinc/68/36/35/1099683635.db2.gz LAMPULNQRMJKRH-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP C[C@@H](O)CCC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001480404677 1100217472 /nfs/dbraw/zinc/21/74/72/1100217472.db2.gz LUQJDSMZAVDCTF-QQFBHYJXSA-N 2 2 344.459 2.126 10 0 EEAELP CCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001480479818 1100287655 /nfs/dbraw/zinc/28/76/55/1100287655.db2.gz MVEOPRAFFSCLMP-KBRIMQKVSA-N 2 2 326.444 2.370 10 0 EEAELP CCc1cccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001480479818 1100287657 /nfs/dbraw/zinc/28/76/57/1100287657.db2.gz MVEOPRAFFSCLMP-KBRIMQKVSA-N 2 2 326.444 2.370 10 0 EEAELP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+][C@H]1CCc2ccccc21 ZINC001480508149 1100333025 /nfs/dbraw/zinc/33/30/25/1100333025.db2.gz FEFFPVDOFSEKFZ-PBHICJAKSA-N 2 2 326.444 2.135 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)oc1C ZINC001496262940 1100836565 /nfs/dbraw/zinc/83/65/65/1100836565.db2.gz WTGKIDRTYCXNKK-CVEARBPZSA-N 2 2 336.480 2.006 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@H+]2C)oc1C ZINC001496262940 1100836572 /nfs/dbraw/zinc/83/65/72/1100836572.db2.gz WTGKIDRTYCXNKK-CVEARBPZSA-N 2 2 336.480 2.006 10 0 EEAELP CC(C)[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCc2ccccc21 ZINC001496618438 1101223585 /nfs/dbraw/zinc/22/35/85/1101223585.db2.gz WDHAQFJSTWXXPH-SJORKVTESA-N 2 2 326.444 2.370 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001495583720 1101289943 /nfs/dbraw/zinc/28/99/43/1101289943.db2.gz ZTNXZGXPXOOHJI-GOSISDBHSA-N 2 2 340.471 2.338 10 0 EEAELP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001496064692 1102001564 /nfs/dbraw/zinc/00/15/64/1102001564.db2.gz TZLVXYJATHQOBW-HNNXBMFYSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H](CC[NH2+]CCc1ccccc1Cl)NC(=O)Cc1c[nH+]cn1C ZINC001497303485 1102283497 /nfs/dbraw/zinc/28/34/97/1102283497.db2.gz HZYAUQNHSJJMQX-AWEZNQCLSA-N 2 2 348.878 2.343 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc2c(c1)CCC2)NC(=O)Cn1cc[nH+]c1 ZINC001497337788 1102349766 /nfs/dbraw/zinc/34/97/66/1102349766.db2.gz WORAIQBZYYXGCI-HNNXBMFYSA-N 2 2 326.444 2.056 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497404043 1102436271 /nfs/dbraw/zinc/43/62/71/1102436271.db2.gz RZGKLWMQVLECQO-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497404043 1102436276 /nfs/dbraw/zinc/43/62/76/1102436276.db2.gz RZGKLWMQVLECQO-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH]c[nH+]2)cc1C ZINC001497594921 1102722570 /nfs/dbraw/zinc/72/25/70/1102722570.db2.gz GGBLNWPNHBGWIO-ARJAWSKDSA-N 2 2 326.444 2.421 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]c[nH]2)cc1C ZINC001497594921 1102722578 /nfs/dbraw/zinc/72/25/78/1102722578.db2.gz GGBLNWPNHBGWIO-ARJAWSKDSA-N 2 2 326.444 2.421 10 0 EEAELP COc1cccc(Cl)c1C[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1 ZINC001497762900 1103054648 /nfs/dbraw/zinc/05/46/48/1103054648.db2.gz BEXGBOMCTQTGRP-IHWYPQMZSA-N 2 2 348.834 2.007 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@H](CCNC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001494058869 1103446481 /nfs/dbraw/zinc/44/64/81/1103446481.db2.gz ZRNDXMPPBHRPLT-HOCLYGCPSA-N 2 2 345.447 2.159 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001447883956 1103512981 /nfs/dbraw/zinc/51/29/81/1103512981.db2.gz KYEQSWSZVWCWRL-HZPDHXFCSA-N 2 2 340.471 2.445 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)n1 ZINC001447924027 1103610212 /nfs/dbraw/zinc/61/02/12/1103610212.db2.gz FNSVAEOLJMSMQW-HUUCEWRRSA-N 2 2 343.475 2.164 10 0 EEAELP Cc1nc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)oc1C ZINC001448047513 1103892728 /nfs/dbraw/zinc/89/27/28/1103892728.db2.gz XLTNFADCNKLJKH-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[N@H+]2C)oc1C ZINC001448047513 1103892736 /nfs/dbraw/zinc/89/27/36/1103892736.db2.gz XLTNFADCNKLJKH-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)oc1C ZINC001448047513 1103892746 /nfs/dbraw/zinc/89/27/46/1103892746.db2.gz XLTNFADCNKLJKH-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]2CCC[NH+]2C)oc1C ZINC001448047513 1103892756 /nfs/dbraw/zinc/89/27/56/1103892756.db2.gz XLTNFADCNKLJKH-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001495014678 1104656823 /nfs/dbraw/zinc/65/68/23/1104656823.db2.gz XKZVROYKXABYNU-CVEARBPZSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)no1 ZINC001480738907 1107017484 /nfs/dbraw/zinc/01/74/84/1107017484.db2.gz JIVQIHIGWWNGRS-QGZVFWFLSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)no1 ZINC001480738907 1107017494 /nfs/dbraw/zinc/01/74/94/1107017494.db2.gz JIVQIHIGWWNGRS-QGZVFWFLSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CCNC(=O)c2cccc3[nH+]ccn32)sn1 ZINC001480778694 1107101296 /nfs/dbraw/zinc/10/12/96/1107101296.db2.gz GEOOQKDMMYRXNK-GFCCVEGCSA-N 2 2 343.456 2.397 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC001498845206 1108210104 /nfs/dbraw/zinc/21/01/04/1108210104.db2.gz INRFWKZDFOTZAD-NEPJUHHUSA-N 2 2 345.274 2.021 10 0 EEAELP CN(CC[NH2+]Cc1ccccc1Cl)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001493601938 1108384729 /nfs/dbraw/zinc/38/47/29/1108384729.db2.gz CHTLTHUJJMPVIE-HNNXBMFYSA-N 2 2 346.862 2.347 10 0 EEAELP Cc1ccc(OCC[NH2+]CCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC001493762215 1108637945 /nfs/dbraw/zinc/63/79/45/1108637945.db2.gz ACDYDSNRGGIEDT-UHFFFAOYSA-N 2 2 344.459 2.123 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCc1cccs1 ZINC001479253194 1110668960 /nfs/dbraw/zinc/66/89/60/1110668960.db2.gz PWSQWOBPRDBSOE-ZBFHGGJFSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@@H]1CC[N@H+]1CCc1cccs1 ZINC001479253194 1110668961 /nfs/dbraw/zinc/66/89/61/1110668961.db2.gz PWSQWOBPRDBSOE-ZBFHGGJFSA-N 2 2 346.500 2.425 10 0 EEAELP COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001479331147 1110682097 /nfs/dbraw/zinc/68/20/97/1110682097.db2.gz XYLFVKDYYBAVGO-FMKPAKJESA-N 2 2 342.443 2.206 10 0 EEAELP C[C@]1(C[NH2+]Cc2cc(F)cc(F)c2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001500407176 1112808696 /nfs/dbraw/zinc/80/86/96/1112808696.db2.gz YACHJQTWTDEYKB-GOSISDBHSA-N 2 2 348.397 2.190 10 0 EEAELP C[C@]1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC[N@H+](CCC2CC2)C1 ZINC001500505777 1112898016 /nfs/dbraw/zinc/89/80/16/1112898016.db2.gz WRIRJLOSWCQDOA-FXAWDEMLSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@]1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CCC[N@@H+](CCC2CC2)C1 ZINC001500505777 1112898017 /nfs/dbraw/zinc/89/80/17/1112898017.db2.gz WRIRJLOSWCQDOA-FXAWDEMLSA-N 2 2 344.503 2.464 10 0 EEAELP CC/C(C)=C/C(=O)NCC[NH+]1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001501257801 1113266138 /nfs/dbraw/zinc/26/61/38/1113266138.db2.gz DRADIURHHGISON-ZPICJPFVSA-N 2 2 337.508 2.082 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccc(F)cn1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001502390736 1113661763 /nfs/dbraw/zinc/66/17/63/1113661763.db2.gz POHSTCLMWLQCIH-UHFFFAOYSA-N 2 2 347.438 2.202 10 0 EEAELP 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ZINC001505970429 1114309488 /nfs/dbraw/zinc/30/94/88/1114309488.db2.gz VDSNZRCXYXWYJT-MRXNPFEDSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)Cc1ccn(C)n1 ZINC001505970429 1114309491 /nfs/dbraw/zinc/30/94/91/1114309491.db2.gz VDSNZRCXYXWYJT-MRXNPFEDSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+](C)Cc1ccn(C)n1 ZINC001505970429 1114309497 /nfs/dbraw/zinc/30/94/97/1114309497.db2.gz VDSNZRCXYXWYJT-MRXNPFEDSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+](C)Cc1ccn(C)n1 ZINC001505970429 1114309500 /nfs/dbraw/zinc/30/95/00/1114309500.db2.gz VDSNZRCXYXWYJT-MRXNPFEDSA-N 2 2 349.523 2.011 10 0 EEAELP COCC[NH2+][C@@H](CCN(C)C(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001506179474 1114452244 /nfs/dbraw/zinc/45/22/44/1114452244.db2.gz PUOJTWVQZQHLEJ-KRWDZBQOSA-N 2 2 346.475 2.365 10 0 EEAELP CCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001506727607 1114838215 /nfs/dbraw/zinc/83/82/15/1114838215.db2.gz WOKRHQAMHXUVJD-LJQANCHMSA-N 2 2 348.491 2.181 10 0 EEAELP CCCCC[N@H+]1CCO[C@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001506727607 1114838218 /nfs/dbraw/zinc/83/82/18/1114838218.db2.gz WOKRHQAMHXUVJD-LJQANCHMSA-N 2 2 348.491 2.181 10 0 EEAELP CO[C@@H](C)C[NH2+]CCC[C@@H](C)NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001506924952 1114977759 /nfs/dbraw/zinc/97/77/59/1114977759.db2.gz ZNNKLAXHASQRNT-HIFRSBDPSA-N 2 2 332.448 2.166 10 0 EEAELP CC(C)=CC[N@@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001507355939 1115218856 /nfs/dbraw/zinc/21/88/56/1115218856.db2.gz MOACFNBUQXETAG-LPHOPBHVSA-N 2 2 330.476 2.432 10 0 EEAELP CC(C)=CC[N@H+]1CC[C@@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001507355939 1115218859 /nfs/dbraw/zinc/21/88/59/1115218859.db2.gz MOACFNBUQXETAG-LPHOPBHVSA-N 2 2 330.476 2.432 10 0 EEAELP CC1(C)CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccccn1 ZINC001507453178 1115278388 /nfs/dbraw/zinc/27/83/88/1115278388.db2.gz BZNBBTSCZBCAKM-QGZVFWFLSA-N 2 2 341.459 2.085 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)Cn1cc[nH+]c1 ZINC001508042666 1115399033 /nfs/dbraw/zinc/39/90/33/1115399033.db2.gz FIUUUOYMAWMQCH-ZIAGYGMSSA-N 2 2 342.434 2.439 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1C)[NH2+]Cc1nc2ccccc2o1 ZINC001567988680 1124217974 /nfs/dbraw/zinc/21/79/74/1124217974.db2.gz HALLSBBRZGMNNB-CQSZACIVSA-N 2 2 341.415 2.017 10 0 EEAELP CC(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001568088872 1124292872 /nfs/dbraw/zinc/29/28/72/1124292872.db2.gz FFRIYSOFRLATQR-QGZVFWFLSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1ccccc1CCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001568153162 1124328102 /nfs/dbraw/zinc/32/81/02/1124328102.db2.gz ITAADAUTXNNDGE-LJQANCHMSA-N 2 2 340.471 2.405 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001568513578 1124572958 /nfs/dbraw/zinc/57/29/58/1124572958.db2.gz MWVPZEBPSWBQBC-FUHWJXTLSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001568513578 1124572964 /nfs/dbraw/zinc/57/29/64/1124572964.db2.gz MWVPZEBPSWBQBC-FUHWJXTLSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001568513578 1124572969 /nfs/dbraw/zinc/57/29/69/1124572969.db2.gz MWVPZEBPSWBQBC-FUHWJXTLSA-N 2 2 348.491 2.080 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001568513578 1124572972 /nfs/dbraw/zinc/57/29/72/1124572972.db2.gz MWVPZEBPSWBQBC-FUHWJXTLSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001568702577 1124717299 /nfs/dbraw/zinc/71/72/99/1124717299.db2.gz BJDKDWSZZGHOSW-LBPRGKRZSA-N 2 2 349.504 2.111 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)c(F)c1)C(=O)CCc1c[nH+]cn1C ZINC001568795544 1124808917 /nfs/dbraw/zinc/80/89/17/1124808917.db2.gz XAOLCZARHBLOOW-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP CCCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001569117858 1125108706 /nfs/dbraw/zinc/10/87/06/1125108706.db2.gz JUCQKDJTTFVGBH-WMLDXEAASA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001569117858 1125108709 /nfs/dbraw/zinc/10/87/09/1125108709.db2.gz JUCQKDJTTFVGBH-WMLDXEAASA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001569117858 1125108711 /nfs/dbraw/zinc/10/87/11/1125108711.db2.gz JUCQKDJTTFVGBH-WMLDXEAASA-N 2 2 335.496 2.417 10 0 EEAELP CCCCC[NH+](C)C[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001569117858 1125108714 /nfs/dbraw/zinc/10/87/14/1125108714.db2.gz JUCQKDJTTFVGBH-WMLDXEAASA-N 2 2 335.496 2.417 10 0 EEAELP CN(CCC[NH2+]Cc1cc(F)ccc1F)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001569211752 1125168041 /nfs/dbraw/zinc/16/80/41/1125168041.db2.gz OMYQOCXTXARLHW-HUUCEWRRSA-N 2 2 348.397 2.430 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1F)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001569216623 1125171768 /nfs/dbraw/zinc/17/17/68/1125171768.db2.gz QPGHLVMCPBMJIK-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP C[C@@H](C(=O)N(CCCc1ccccc1)CC[NH+](C)C)n1cc[nH+]c1 ZINC000066946055 215097131 /nfs/dbraw/zinc/09/71/31/215097131.db2.gz HODUGHHPTLPGHO-KRWDZBQOSA-N 2 2 328.460 2.467 10 0 EEAELP CC[NH+]1CCC([NH2+]Cc2ccc(I)o2)CC1 ZINC000038098138 213200434 /nfs/dbraw/zinc/20/04/34/213200434.db2.gz XPMKUMLWTBAQAB-UHFFFAOYSA-N 2 2 334.201 2.458 10 0 EEAELP COc1ccc(C(=O)N2C[C@@H](C)[NH+](CCC[NH+](C)C)[C@H](C)C2)cc1 ZINC000036124869 213072069 /nfs/dbraw/zinc/07/20/69/213072069.db2.gz PMWXRQLYASSHFP-HZPDHXFCSA-N 2 2 333.476 2.182 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423064204 240348997 /nfs/dbraw/zinc/34/89/97/240348997.db2.gz YLMWUNYNXLAQKM-ZBFHGGJFSA-N 2 2 337.895 2.055 10 0 EEAELP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422733682 240199692 /nfs/dbraw/zinc/19/96/92/240199692.db2.gz BTPGYWBYDBVPLE-TTYHFUOFSA-N 2 2 329.488 2.179 10 0 EEAELP Fc1cc(Br)cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422737625 240201700 /nfs/dbraw/zinc/20/17/00/240201700.db2.gz ZYXJGGSOYHIKMX-LSDHHAIUSA-N 2 2 343.240 2.445 10 0 EEAELP COc1ccc(C2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000423034121 240338181 /nfs/dbraw/zinc/33/81/81/240338181.db2.gz PLMCAZWONKOGST-MOPGFXCFSA-N 2 2 330.472 2.474 10 0 EEAELP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423060433 240345439 /nfs/dbraw/zinc/34/54/39/240345439.db2.gz IGPMLEQGXVJAGS-FFGOWVMKSA-N 3 2 331.504 2.383 10 0 EEAELP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423060433 240345444 /nfs/dbraw/zinc/34/54/44/240345444.db2.gz IGPMLEQGXVJAGS-FFGOWVMKSA-N 3 2 331.504 2.383 10 0 EEAELP COc1ccc([C@H]([NH2+]CCc2nnc(C)s2)[C@H]2CCC[NH2+]2)cc1 ZINC000423128381 240375210 /nfs/dbraw/zinc/37/52/10/240375210.db2.gz VVCNDUAZKJAVLO-WBVHZDCISA-N 2 2 332.473 2.481 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459379058 245098207 /nfs/dbraw/zinc/09/82/07/245098207.db2.gz OTHDLVYNZMVXDY-UHFFFAOYSA-N 2 2 338.455 2.476 10 0 EEAELP C[C@H](c1ccccc1F)[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000095405130 218340181 /nfs/dbraw/zinc/34/01/81/218340181.db2.gz WMBHTSXTLDHLHN-QGZVFWFLSA-N 2 2 335.467 2.227 10 0 EEAELP Brc1sccc1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423107818 532981928 /nfs/dbraw/zinc/98/19/28/532981928.db2.gz FGSYKVNHWHUEQL-RYUDHWBXSA-N 2 2 331.279 2.367 10 0 EEAELP O=c1[nH]c2ccccc2n1C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000193460708 285200763 /nfs/dbraw/zinc/20/07/63/285200763.db2.gz NUPVTDSHTPHWRF-UHFFFAOYSA-N 2 2 328.460 2.452 10 0 EEAELP O=c1c2ccccc2ncn1CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000117337836 221054666 /nfs/dbraw/zinc/05/46/66/221054666.db2.gz FTSBDNMDGJUWFD-MRXNPFEDSA-N 2 2 349.438 2.226 10 0 EEAELP O=c1c2ccccc2ncn1CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000117337836 221054667 /nfs/dbraw/zinc/05/46/67/221054667.db2.gz FTSBDNMDGJUWFD-MRXNPFEDSA-N 2 2 349.438 2.226 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000073898016 292172838 /nfs/dbraw/zinc/17/28/38/292172838.db2.gz DDQVCDLKFIZYMM-MRXNPFEDSA-N 2 2 335.496 2.459 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1 ZINC000191079838 152236426 /nfs/dbraw/zinc/23/64/26/152236426.db2.gz AMBJWHLCWPJZDT-WBVHZDCISA-N 2 2 337.512 2.260 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1 ZINC000191079838 152236430 /nfs/dbraw/zinc/23/64/30/152236430.db2.gz AMBJWHLCWPJZDT-WBVHZDCISA-N 2 2 337.512 2.260 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000263058940 152365831 /nfs/dbraw/zinc/36/58/31/152365831.db2.gz VFENXBWNPVMBFJ-GJZGRUSLSA-N 2 2 325.403 2.183 10 0 EEAELP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359424655 153356410 /nfs/dbraw/zinc/35/64/10/153356410.db2.gz YBQODYPGKNJBCZ-OAHLLOKOSA-N 2 2 328.460 2.412 10 0 EEAELP Cc1cc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)nc(C2CC2)[nH+]1 ZINC000129487969 292358934 /nfs/dbraw/zinc/35/89/34/292358934.db2.gz ZQIDOHJFHULJEF-HNNXBMFYSA-N 2 2 333.480 2.167 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3c3ccco3)cn2)CC1 ZINC000093335267 159233987 /nfs/dbraw/zinc/23/39/87/159233987.db2.gz HOJAYYMFCXAXIL-MRXNPFEDSA-N 2 2 327.432 2.159 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3c3ccco3)cn2)CC1 ZINC000093335267 159233990 /nfs/dbraw/zinc/23/39/90/159233990.db2.gz HOJAYYMFCXAXIL-MRXNPFEDSA-N 2 2 327.432 2.159 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](Cc3cccc4c3OCCO4)CC2)CCO1 ZINC000101726949 159256658 /nfs/dbraw/zinc/25/66/58/159256658.db2.gz YUCPEJVJGPIHSC-HNNXBMFYSA-N 2 2 332.444 2.143 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](Cc3cccc4c3OCCO4)CC2)CCO1 ZINC000101726949 159256660 /nfs/dbraw/zinc/25/66/60/159256660.db2.gz YUCPEJVJGPIHSC-HNNXBMFYSA-N 2 2 332.444 2.143 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)C[C@@H]2C1 ZINC000193615459 160183963 /nfs/dbraw/zinc/18/39/63/160183963.db2.gz ZINYVSIQDZMOIH-KDURUIRLSA-N 2 2 327.472 2.306 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)C[C@@H]2C1 ZINC000193615459 160183964 /nfs/dbraw/zinc/18/39/64/160183964.db2.gz ZINYVSIQDZMOIH-KDURUIRLSA-N 2 2 327.472 2.306 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(C(=O)N4CCCCC4)c3)C[C@@H]2C1 ZINC000193615459 160183965 /nfs/dbraw/zinc/18/39/65/160183965.db2.gz ZINYVSIQDZMOIH-KDURUIRLSA-N 2 2 327.472 2.306 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)C[C@@H]2C1 ZINC000193615459 160183966 /nfs/dbraw/zinc/18/39/66/160183966.db2.gz ZINYVSIQDZMOIH-KDURUIRLSA-N 2 2 327.472 2.306 10 0 EEAELP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642017 160184808 /nfs/dbraw/zinc/18/48/08/160184808.db2.gz GPWINVHGJQWJPW-LVQVYYBASA-N 2 2 333.501 2.294 10 0 EEAELP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193642017 160184809 /nfs/dbraw/zinc/18/48/09/160184809.db2.gz GPWINVHGJQWJPW-LVQVYYBASA-N 2 2 333.501 2.294 10 0 EEAELP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193642017 160184810 /nfs/dbraw/zinc/18/48/10/160184810.db2.gz GPWINVHGJQWJPW-LVQVYYBASA-N 2 2 333.501 2.294 10 0 EEAELP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193642017 160184811 /nfs/dbraw/zinc/18/48/11/160184811.db2.gz GPWINVHGJQWJPW-LVQVYYBASA-N 2 2 333.501 2.294 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247124679 160311650 /nfs/dbraw/zinc/31/16/50/160311650.db2.gz GAXPUKHKBAQILJ-JCGIZDLHSA-N 2 2 334.460 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247124679 160311652 /nfs/dbraw/zinc/31/16/52/160311652.db2.gz GAXPUKHKBAQILJ-JCGIZDLHSA-N 2 2 334.460 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247124679 160311653 /nfs/dbraw/zinc/31/16/53/160311653.db2.gz GAXPUKHKBAQILJ-JCGIZDLHSA-N 2 2 334.460 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247124679 160311655 /nfs/dbraw/zinc/31/16/55/160311655.db2.gz GAXPUKHKBAQILJ-JCGIZDLHSA-N 2 2 334.460 2.043 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000341861560 161019282 /nfs/dbraw/zinc/01/92/82/161019282.db2.gz YOIUOEMBCUBRTP-UHFFFAOYSA-N 2 2 338.415 2.007 10 0 EEAELP Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cnn3ccccc23)CCC[N@@H+]1C ZINC000343416636 161134174 /nfs/dbraw/zinc/13/41/74/161134174.db2.gz DAFLBIJLPLGMJK-KXBFYZLASA-N 2 2 338.459 2.241 10 0 EEAELP Cn1nccc1[C@@H]1[C@H](C[NH2+]Cc2cnn3ccccc23)CCC[N@H+]1C ZINC000343416636 161134175 /nfs/dbraw/zinc/13/41/75/161134175.db2.gz DAFLBIJLPLGMJK-KXBFYZLASA-N 2 2 338.459 2.241 10 0 EEAELP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000355349886 163155671 /nfs/dbraw/zinc/15/56/71/163155671.db2.gz BJAMNPRGXWQAMR-LSDHHAIUSA-N 2 2 332.492 2.486 10 0 EEAELP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]c(C(C)C)[nH]c3C2)C1 ZINC000355349886 163155673 /nfs/dbraw/zinc/15/56/73/163155673.db2.gz BJAMNPRGXWQAMR-LSDHHAIUSA-N 2 2 332.492 2.486 10 0 EEAELP 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COCC[N@H+]1CCC[C@H]1CNc1nc2ccccc2n2c[nH+]cc12 ZINC000623934179 450640987 /nfs/dbraw/zinc/64/09/87/450640987.db2.gz DXINKCPTIXSTDY-AWEZNQCLSA-N 2 2 325.416 2.405 10 0 EEAELP Cc1cc(NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)cc[nH+]1 ZINC000626468135 450755105 /nfs/dbraw/zinc/75/51/05/450755105.db2.gz UDCONSKATISVKO-UHFFFAOYSA-N 2 2 328.420 2.267 10 0 EEAELP Cc1cc(NCCNC(=O)NCCC[C@@H]2CCC[NH2+]2)nc(C(C)C)[nH+]1 ZINC000627099914 451123043 /nfs/dbraw/zinc/12/30/43/451123043.db2.gz ATXBQSJWLVMFPM-HNNXBMFYSA-N 2 2 348.495 2.152 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000358315789 465054040 /nfs/dbraw/zinc/05/40/40/465054040.db2.gz HCWLWWZWJXJRIP-XNRPHZJLSA-N 2 2 346.393 2.276 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000358315789 465054043 /nfs/dbraw/zinc/05/40/43/465054043.db2.gz HCWLWWZWJXJRIP-XNRPHZJLSA-N 2 2 346.393 2.276 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)CS(C)(=O)=O ZINC000336860583 465057253 /nfs/dbraw/zinc/05/72/53/465057253.db2.gz SHGKALVATBWIFF-ZACQAIPSSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)CS(C)(=O)=O ZINC000336860583 465057256 /nfs/dbraw/zinc/05/72/56/465057256.db2.gz SHGKALVATBWIFF-ZACQAIPSSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)CS(C)(=O)=O ZINC000336860583 465057261 /nfs/dbraw/zinc/05/72/61/465057261.db2.gz SHGKALVATBWIFF-ZACQAIPSSA-N 2 2 330.538 2.254 10 0 EEAELP C[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)CS(C)(=O)=O ZINC000336860583 465057264 /nfs/dbraw/zinc/05/72/64/465057264.db2.gz SHGKALVATBWIFF-ZACQAIPSSA-N 2 2 330.538 2.254 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000296172610 465104020 /nfs/dbraw/zinc/10/40/20/465104020.db2.gz AQKXDIUPFJJDIW-MRXNPFEDSA-N 2 2 329.448 2.314 10 0 EEAELP CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCCC1 ZINC000358455337 465133224 /nfs/dbraw/zinc/13/32/24/465133224.db2.gz KEQAKCGJTAUBMS-CRAIPNDOSA-N 2 2 347.507 2.467 10 0 EEAELP CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCCC1 ZINC000358455337 465133229 /nfs/dbraw/zinc/13/32/29/465133229.db2.gz KEQAKCGJTAUBMS-CRAIPNDOSA-N 2 2 347.507 2.467 10 0 EEAELP COc1cc(C)nc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000347726176 465190784 /nfs/dbraw/zinc/19/07/84/465190784.db2.gz SDQVDTXDRPBDSW-FQEVSTJZSA-N 2 2 341.455 2.125 10 0 EEAELP COc1cc(C)nc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000347726176 465190791 /nfs/dbraw/zinc/19/07/91/465190791.db2.gz SDQVDTXDRPBDSW-FQEVSTJZSA-N 2 2 341.455 2.125 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](F)(c3ccccc3C)C2)CC1 ZINC000337430742 465365818 /nfs/dbraw/zinc/36/58/18/465365818.db2.gz YWFANBLZSNVYJK-HXUWFJFHSA-N 2 2 347.478 2.466 10 0 EEAELP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](F)(c3ccccc3C)C2)CC1 ZINC000337430742 465365824 /nfs/dbraw/zinc/36/58/24/465365824.db2.gz YWFANBLZSNVYJK-HXUWFJFHSA-N 2 2 347.478 2.466 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[NH+]2CCCC2)CC1 ZINC000088669941 462640918 /nfs/dbraw/zinc/64/09/18/462640918.db2.gz WSDBEYUAAXYMPQ-UHFFFAOYSA-N 3 2 330.520 2.404 10 0 EEAELP COC(=O)c1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1Cl ZINC000590694201 468309261 /nfs/dbraw/zinc/30/92/61/468309261.db2.gz WOIOVUWDRAZLEZ-UHFFFAOYSA-N 2 2 340.851 2.015 10 0 EEAELP COC(=O)c1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1Cl ZINC000590694201 468309267 /nfs/dbraw/zinc/30/92/67/468309267.db2.gz WOIOVUWDRAZLEZ-UHFFFAOYSA-N 2 2 340.851 2.015 10 0 EEAELP O=S1(=O)CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000090016331 462767216 /nfs/dbraw/zinc/76/72/16/462767216.db2.gz NBFOAWKTGNBZSO-MVCQKVDPSA-N 2 2 348.512 2.349 10 0 EEAELP O=S1(=O)CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000090016331 462767221 /nfs/dbraw/zinc/76/72/21/462767221.db2.gz NBFOAWKTGNBZSO-MVCQKVDPSA-N 2 2 348.512 2.349 10 0 EEAELP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000065463112 462774333 /nfs/dbraw/zinc/77/43/33/462774333.db2.gz WNZBHVAPKMKSPG-QGZVFWFLSA-N 2 2 326.444 2.470 10 0 EEAELP CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000090410491 462788975 /nfs/dbraw/zinc/78/89/75/462788975.db2.gz SVNHQGSOWSPFKT-GOEBONIOSA-N 2 2 327.432 2.327 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000047884474 462832371 /nfs/dbraw/zinc/83/23/71/462832371.db2.gz RRIHOPUBURQBRK-UHFFFAOYSA-N 2 2 345.491 2.222 10 0 EEAELP Brc1ccc(CN2CC[NH+](CCn3cc[nH+]c3)CC2)cc1 ZINC000077120144 462941426 /nfs/dbraw/zinc/94/14/26/462941426.db2.gz JNSZGULNYXRFKX-UHFFFAOYSA-N 2 2 349.276 2.463 10 0 EEAELP COc1c(C)cnc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000136065424 463216505 /nfs/dbraw/zinc/21/65/05/463216505.db2.gz DNSPAQAMMNPARZ-GOSISDBHSA-N 2 2 346.519 2.309 10 0 EEAELP COc1c(C)cnc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000136065424 463216513 /nfs/dbraw/zinc/21/65/13/463216513.db2.gz DNSPAQAMMNPARZ-GOSISDBHSA-N 2 2 346.519 2.309 10 0 EEAELP Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000122811002 463293553 /nfs/dbraw/zinc/29/35/53/463293553.db2.gz KRAIXZRDIINMBU-IBGZPJMESA-N 2 2 344.503 2.035 10 0 EEAELP Cc1cccc(NC(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000122811002 463293558 /nfs/dbraw/zinc/29/35/58/463293558.db2.gz KRAIXZRDIINMBU-IBGZPJMESA-N 2 2 344.503 2.035 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000139006488 463315993 /nfs/dbraw/zinc/31/59/93/463315993.db2.gz UXVPLQBVGNJFIA-INIZCTEOSA-N 2 2 347.507 2.259 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000139006488 463315997 /nfs/dbraw/zinc/31/59/97/463315997.db2.gz UXVPLQBVGNJFIA-INIZCTEOSA-N 2 2 347.507 2.259 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCC1=O ZINC000536537622 468355209 /nfs/dbraw/zinc/35/52/09/468355209.db2.gz BAUZCKBZFZNSHH-IRXDYDNUSA-N 2 2 349.519 2.058 10 0 EEAELP C[N@H+](CCOc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863024 463479816 /nfs/dbraw/zinc/47/98/16/463479816.db2.gz ISCMRRILHNFXGR-UHFFFAOYSA-N 2 2 328.460 2.358 10 0 EEAELP C[N@@H+](CCOc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863024 463479826 /nfs/dbraw/zinc/47/98/26/463479826.db2.gz ISCMRRILHNFXGR-UHFFFAOYSA-N 2 2 328.460 2.358 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(N2CCCC2=O)cc1 ZINC000151329759 463513965 /nfs/dbraw/zinc/51/39/65/463513965.db2.gz QKAJEHOUTHCQCJ-APWZRJJASA-N 2 2 345.487 2.311 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000151996906 463627641 /nfs/dbraw/zinc/62/76/41/463627641.db2.gz HVBRZSUXCDNXGI-MRXNPFEDSA-N 2 2 333.480 2.067 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000151996906 463627646 /nfs/dbraw/zinc/62/76/46/463627646.db2.gz HVBRZSUXCDNXGI-MRXNPFEDSA-N 2 2 333.480 2.067 10 0 EEAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCO[C@H](C[NH+](C)C)C1 ZINC000108951859 463629884 /nfs/dbraw/zinc/62/98/84/463629884.db2.gz AVOBMXYMGXGVEV-CQSZACIVSA-N 2 2 343.427 2.178 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000194212115 463815941 /nfs/dbraw/zinc/81/59/41/463815941.db2.gz PRZVJSWWLPIGQV-UHFFFAOYSA-N 2 2 346.862 2.181 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000194212115 463815947 /nfs/dbraw/zinc/81/59/47/463815947.db2.gz PRZVJSWWLPIGQV-UHFFFAOYSA-N 2 2 346.862 2.181 10 0 EEAELP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1)C[NH+]1CCOCC1 ZINC000269039606 463854015 /nfs/dbraw/zinc/85/40/15/463854015.db2.gz UYVIWMOMKXHDCK-IAGOWNOFSA-N 2 2 328.460 2.491 10 0 EEAELP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C[NH+]1CCOCC1 ZINC000269039611 463854440 /nfs/dbraw/zinc/85/44/40/463854440.db2.gz UYVIWMOMKXHDCK-SJORKVTESA-N 2 2 328.460 2.491 10 0 EEAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](C[C@]1(C)CC[NH2+]C1)CC2 ZINC000261929043 463902936 /nfs/dbraw/zinc/90/29/36/463902936.db2.gz CNDGJEMSVMAXFF-NVXWUHKLSA-N 3 2 334.533 2.429 10 0 EEAELP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(O)c1 ZINC000172754289 464138783 /nfs/dbraw/zinc/13/87/83/464138783.db2.gz SQISPERKRNSTKT-UHFFFAOYSA-N 2 2 345.487 2.381 10 0 EEAELP C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000523451039 468395065 /nfs/dbraw/zinc/39/50/65/468395065.db2.gz ORBYCDLQQRBTTH-AWEZNQCLSA-N 2 2 345.462 2.488 10 0 EEAELP C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000523451039 468395068 /nfs/dbraw/zinc/39/50/68/468395068.db2.gz ORBYCDLQQRBTTH-AWEZNQCLSA-N 2 2 345.462 2.488 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263935774 464245202 /nfs/dbraw/zinc/24/52/02/464245202.db2.gz FQZNYEFNSOHECS-HNNXBMFYSA-N 2 2 342.443 2.370 10 0 EEAELP Cc1nn(C)c2ncc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc12 ZINC000237885811 464396045 /nfs/dbraw/zinc/39/60/45/464396045.db2.gz GISSWGMOEKWTRG-UHFFFAOYSA-N 2 2 336.443 2.430 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc(F)ccc2o1 ZINC000180937392 464422695 /nfs/dbraw/zinc/42/26/95/464422695.db2.gz KLNFAPVLYDWBDB-UHFFFAOYSA-N 2 2 334.439 2.425 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc(F)ccc2o1 ZINC000180937392 464422700 /nfs/dbraw/zinc/42/27/00/464422700.db2.gz KLNFAPVLYDWBDB-UHFFFAOYSA-N 2 2 334.439 2.425 10 0 EEAELP CN(CC[N@H+](C)Cc1nc2cc(F)ccc2o1)C1CC[NH+](C)CC1 ZINC000180937392 464422703 /nfs/dbraw/zinc/42/27/03/464422703.db2.gz KLNFAPVLYDWBDB-UHFFFAOYSA-N 2 2 334.439 2.425 10 0 EEAELP CN(CC[N@@H+](C)Cc1nc2cc(F)ccc2o1)C1CC[NH+](C)CC1 ZINC000180937392 464422706 /nfs/dbraw/zinc/42/27/06/464422706.db2.gz KLNFAPVLYDWBDB-UHFFFAOYSA-N 2 2 334.439 2.425 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000174774725 464450370 /nfs/dbraw/zinc/45/03/70/464450370.db2.gz CIJJKXMNOOQEQI-CXAGYDPISA-N 2 2 339.430 2.243 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000174774725 464450377 /nfs/dbraw/zinc/45/03/77/464450377.db2.gz CIJJKXMNOOQEQI-CXAGYDPISA-N 2 2 339.430 2.243 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000174774725 464450383 /nfs/dbraw/zinc/45/03/83/464450383.db2.gz CIJJKXMNOOQEQI-CXAGYDPISA-N 2 2 339.430 2.243 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000174774725 464450388 /nfs/dbraw/zinc/45/03/88/464450388.db2.gz CIJJKXMNOOQEQI-CXAGYDPISA-N 2 2 339.430 2.243 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246007252 464533467 /nfs/dbraw/zinc/53/34/67/464533467.db2.gz SPQHMUJJTPSWAQ-NVXWUHKLSA-N 2 2 339.842 2.483 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246007252 464533470 /nfs/dbraw/zinc/53/34/70/464533470.db2.gz SPQHMUJJTPSWAQ-NVXWUHKLSA-N 2 2 339.842 2.483 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000272371625 464581014 /nfs/dbraw/zinc/58/10/14/464581014.db2.gz UNYFQRJEJYAPNA-UHFFFAOYSA-N 2 2 339.443 2.358 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000190475351 464653752 /nfs/dbraw/zinc/65/37/52/464653752.db2.gz WTXFIYUJLSRZSE-GOSISDBHSA-N 2 2 338.455 2.134 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cccc(C(N)=O)c2)C1 ZINC000190475351 464653758 /nfs/dbraw/zinc/65/37/58/464653758.db2.gz WTXFIYUJLSRZSE-GOSISDBHSA-N 2 2 338.455 2.134 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000190475351 464653765 /nfs/dbraw/zinc/65/37/65/464653765.db2.gz WTXFIYUJLSRZSE-GOSISDBHSA-N 2 2 338.455 2.134 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000190475351 464653769 /nfs/dbraw/zinc/65/37/69/464653769.db2.gz WTXFIYUJLSRZSE-GOSISDBHSA-N 2 2 338.455 2.134 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000177347219 464991259 /nfs/dbraw/zinc/99/12/59/464991259.db2.gz IHBNHLHTORMRED-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000177347219 464991268 /nfs/dbraw/zinc/99/12/68/464991268.db2.gz IHBNHLHTORMRED-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CC(C)(CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000177352027 464992875 /nfs/dbraw/zinc/99/28/75/464992875.db2.gz BESWARYFXGBLSJ-INIZCTEOSA-N 2 2 333.480 2.322 10 0 EEAELP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)[C@H]1CCCc2[nH+]ccn21 ZINC000351727812 465321520 /nfs/dbraw/zinc/32/15/20/465321520.db2.gz RIAVEBGAFUYFGB-QGZVFWFLSA-N 2 2 335.411 2.322 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000342861841 465360936 /nfs/dbraw/zinc/36/09/36/465360936.db2.gz OELFQLXEVNPBKO-ZBFHGGJFSA-N 2 2 332.444 2.003 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000342861841 465360938 /nfs/dbraw/zinc/36/09/38/465360938.db2.gz OELFQLXEVNPBKO-ZBFHGGJFSA-N 2 2 332.444 2.003 10 0 EEAELP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1O ZINC000348308582 465542891 /nfs/dbraw/zinc/54/28/91/465542891.db2.gz DPIQKLPYBPEHEN-XNJGSVPQSA-N 2 2 328.416 2.106 10 0 EEAELP CC[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1O ZINC000348308582 465542897 /nfs/dbraw/zinc/54/28/97/465542897.db2.gz DPIQKLPYBPEHEN-XNJGSVPQSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579953480 468441430 /nfs/dbraw/zinc/44/14/30/468441430.db2.gz IEVPSXNSWCLSSY-HLIPFELVSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579953480 468441433 /nfs/dbraw/zinc/44/14/33/468441433.db2.gz IEVPSXNSWCLSSY-HLIPFELVSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348754307 465772767 /nfs/dbraw/zinc/77/27/67/465772767.db2.gz KPXNQTYHSSTVAP-POAQFYNOSA-N 2 2 340.471 2.053 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348754307 465772772 /nfs/dbraw/zinc/77/27/72/465772772.db2.gz KPXNQTYHSSTVAP-POAQFYNOSA-N 2 2 340.471 2.053 10 0 EEAELP COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361154848 465804699 /nfs/dbraw/zinc/80/46/99/465804699.db2.gz QYOXNLMMCGPMJS-CXAGYDPISA-N 2 2 328.416 2.349 10 0 EEAELP COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361154848 465804706 /nfs/dbraw/zinc/80/47/06/465804706.db2.gz QYOXNLMMCGPMJS-CXAGYDPISA-N 2 2 328.416 2.349 10 0 EEAELP C[N@H+](CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CCCCC1 ZINC000357191341 465844458 /nfs/dbraw/zinc/84/44/58/465844458.db2.gz TUUMMTWKXAAWQK-INIZCTEOSA-N 2 2 347.507 2.362 10 0 EEAELP C[N@@H+](CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CCCCC1 ZINC000357191341 465844465 /nfs/dbraw/zinc/84/44/65/465844465.db2.gz TUUMMTWKXAAWQK-INIZCTEOSA-N 2 2 347.507 2.362 10 0 EEAELP c1cn(-c2csc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2)c[nH+]1 ZINC000346165699 465953697 /nfs/dbraw/zinc/95/36/97/465953697.db2.gz DVEPLAZZWCQYMQ-UHFFFAOYSA-N 3 2 345.516 2.147 10 0 EEAELP CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346172070 465959693 /nfs/dbraw/zinc/95/96/93/465959693.db2.gz MBPLUJTYUWKQIJ-GFCCVEGCSA-N 2 2 327.475 2.189 10 0 EEAELP CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346172070 465959698 /nfs/dbraw/zinc/95/96/98/465959698.db2.gz MBPLUJTYUWKQIJ-GFCCVEGCSA-N 2 2 327.475 2.189 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338277081 465976352 /nfs/dbraw/zinc/97/63/52/465976352.db2.gz DHFICDWYHHHSTA-SFHVURJKSA-N 2 2 325.412 2.361 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000338277081 465976358 /nfs/dbraw/zinc/97/63/58/465976358.db2.gz DHFICDWYHHHSTA-SFHVURJKSA-N 2 2 325.412 2.361 10 0 EEAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(Br)cnn1C ZINC000349345845 466074240 /nfs/dbraw/zinc/07/42/40/466074240.db2.gz JGVUHZACSCIQBU-UHFFFAOYSA-N 2 2 326.242 2.210 10 0 EEAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Br)cnn1C ZINC000349345845 466074231 /nfs/dbraw/zinc/07/42/31/466074231.db2.gz JGVUHZACSCIQBU-UHFFFAOYSA-N 2 2 326.242 2.210 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370228786 466804853 /nfs/dbraw/zinc/80/48/53/466804853.db2.gz ZHXVICQPZSQVFH-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370228786 466804856 /nfs/dbraw/zinc/80/48/56/466804856.db2.gz ZHXVICQPZSQVFH-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000370228786 466804862 /nfs/dbraw/zinc/80/48/62/466804862.db2.gz ZHXVICQPZSQVFH-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000370228786 466804864 /nfs/dbraw/zinc/80/48/64/466804864.db2.gz ZHXVICQPZSQVFH-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423824718 466860380 /nfs/dbraw/zinc/86/03/80/466860380.db2.gz KZYBYSZUVMYDEY-LSDHHAIUSA-N 2 2 339.842 2.340 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)C2(C)C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423824718 466860386 /nfs/dbraw/zinc/86/03/86/466860386.db2.gz KZYBYSZUVMYDEY-LSDHHAIUSA-N 2 2 339.842 2.340 10 0 EEAELP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000366096959 467057660 /nfs/dbraw/zinc/05/76/60/467057660.db2.gz ZDOIKMLCQZMAOA-OAHLLOKOSA-N 2 2 333.480 2.175 10 0 EEAELP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000366096959 467057663 /nfs/dbraw/zinc/05/76/63/467057663.db2.gz ZDOIKMLCQZMAOA-OAHLLOKOSA-N 2 2 333.480 2.175 10 0 EEAELP CC(=O)[C@@H](C)CCCCC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000432496431 467245495 /nfs/dbraw/zinc/24/54/95/467245495.db2.gz VXRDSUBSCVRYTL-INIZCTEOSA-N 2 2 339.524 2.256 10 0 EEAELP CC(=O)[C@@H](C)CCCCC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000432496431 467245499 /nfs/dbraw/zinc/24/54/99/467245499.db2.gz VXRDSUBSCVRYTL-INIZCTEOSA-N 2 2 339.524 2.256 10 0 EEAELP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000429531722 467342897 /nfs/dbraw/zinc/34/28/97/467342897.db2.gz WJNOHBAJMCSAPU-ZIAGYGMSSA-N 2 2 335.414 2.203 10 0 EEAELP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000429531722 467342900 /nfs/dbraw/zinc/34/29/00/467342900.db2.gz WJNOHBAJMCSAPU-ZIAGYGMSSA-N 2 2 335.414 2.203 10 0 EEAELP Cc1c([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)nnn1-c1ccc(F)cc1 ZINC000414120736 467379017 /nfs/dbraw/zinc/37/90/17/467379017.db2.gz DQZDRPQWYYQQFY-LBPRGKRZSA-N 2 2 328.395 2.342 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361868 467379041 /nfs/dbraw/zinc/37/90/41/467379041.db2.gz HGVBNPULBAHVSE-INIZCTEOSA-N 2 2 341.908 2.435 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420361868 467379046 /nfs/dbraw/zinc/37/90/46/467379046.db2.gz HGVBNPULBAHVSE-INIZCTEOSA-N 2 2 341.908 2.435 10 0 EEAELP O=C1[C@@H]([N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420375566 467384052 /nfs/dbraw/zinc/38/40/52/467384052.db2.gz OLVJBKGCUXPKKG-HKUYNNGSSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@@H]([N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)CCCN1c1ccccc1F ZINC000420375566 467384054 /nfs/dbraw/zinc/38/40/54/467384054.db2.gz OLVJBKGCUXPKKG-HKUYNNGSSA-N 2 2 331.435 2.397 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420379479 467386208 /nfs/dbraw/zinc/38/62/08/467386208.db2.gz RCWDPGCXNFOUGY-OXQOHEQNSA-N 2 2 345.487 2.290 10 0 EEAELP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420379479 467386214 /nfs/dbraw/zinc/38/62/14/467386214.db2.gz RCWDPGCXNFOUGY-OXQOHEQNSA-N 2 2 345.487 2.290 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000449092378 467617290 /nfs/dbraw/zinc/61/72/90/467617290.db2.gz LRJHNQZUCQGDJC-NQIIRXRSSA-N 3 2 345.531 2.128 10 0 EEAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)C1C[NH+](C2CCCCC2)C1 ZINC000457504943 467638576 /nfs/dbraw/zinc/63/85/76/467638576.db2.gz BFTRQZUNQODTDJ-UHFFFAOYSA-N 2 2 344.381 2.326 10 0 EEAELP CC(C)c1cccc(CC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000457611037 467662392 /nfs/dbraw/zinc/66/23/92/467662392.db2.gz BCEJOEPZEZAJHW-UHFFFAOYSA-N 2 2 331.504 2.495 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530225247 467964406 /nfs/dbraw/zinc/96/44/06/467964406.db2.gz UTJFLCXSZKPNJE-CQSZACIVSA-N 2 2 336.867 2.044 10 0 EEAELP CS(=O)(=O)c1cccnc1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000487214715 468028827 /nfs/dbraw/zinc/02/88/27/468028827.db2.gz IPQZZMJZUGWKQL-UHFFFAOYSA-N 2 2 348.453 2.022 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000519013784 468136101 /nfs/dbraw/zinc/13/61/01/468136101.db2.gz CXXIQBBPZLIOOA-WBVHZDCISA-N 2 2 337.414 2.168 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000519013784 468136105 /nfs/dbraw/zinc/13/61/05/468136105.db2.gz CXXIQBBPZLIOOA-WBVHZDCISA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000533574053 468215403 /nfs/dbraw/zinc/21/54/03/468215403.db2.gz NJBZWUOMGIHMHJ-ZACQAIPSSA-N 2 2 345.491 2.222 10 0 EEAELP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851992 468223162 /nfs/dbraw/zinc/22/31/62/468223162.db2.gz FBHOBPYZBYOKQD-MOPGFXCFSA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+](C)C[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851992 468223166 /nfs/dbraw/zinc/22/31/66/468223166.db2.gz FBHOBPYZBYOKQD-MOPGFXCFSA-N 3 2 331.504 2.086 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567889725 468232106 /nfs/dbraw/zinc/23/21/06/468232106.db2.gz NFFQDBIYYQYRFO-LIRRHRJNSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567889725 468232113 /nfs/dbraw/zinc/23/21/13/468232113.db2.gz NFFQDBIYYQYRFO-LIRRHRJNSA-N 2 2 344.459 2.048 10 0 EEAELP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000582648872 468571806 /nfs/dbraw/zinc/57/18/06/468571806.db2.gz HUTRZHMSUBYNCA-CABCVRRESA-N 2 2 333.480 2.077 10 0 EEAELP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000582648872 468571808 /nfs/dbraw/zinc/57/18/08/468571808.db2.gz HUTRZHMSUBYNCA-CABCVRRESA-N 2 2 333.480 2.077 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COCc1ccc(Cl)cc1 ZINC000584346748 468850819 /nfs/dbraw/zinc/85/08/19/468850819.db2.gz ABGQRHVWTINWKO-GJZGRUSLSA-N 2 2 335.835 2.088 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COCc1ccc(Cl)cc1 ZINC000584346748 468850824 /nfs/dbraw/zinc/85/08/24/468850824.db2.gz ABGQRHVWTINWKO-GJZGRUSLSA-N 2 2 335.835 2.088 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000561475527 468895772 /nfs/dbraw/zinc/89/57/72/468895772.db2.gz LBCUNZRJUVKPOF-PBHICJAKSA-N 2 2 341.459 2.430 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)C[C@@H]1CCC[N@H+]1C ZINC000561475527 468895776 /nfs/dbraw/zinc/89/57/76/468895776.db2.gz LBCUNZRJUVKPOF-PBHICJAKSA-N 2 2 341.459 2.430 10 0 EEAELP COC(=O)Cc1cc[nH+]c(NC2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000596081490 469146545 /nfs/dbraw/zinc/14/65/45/469146545.db2.gz YZESHTIWMZHPPK-UHFFFAOYSA-N 2 2 340.427 2.269 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000588691671 469157620 /nfs/dbraw/zinc/15/76/20/469157620.db2.gz QEOCYEMYHZMXET-MSOLQXFVSA-N 2 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000588691671 469157624 /nfs/dbraw/zinc/15/76/24/469157624.db2.gz QEOCYEMYHZMXET-MSOLQXFVSA-N 2 2 328.460 2.082 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000588691671 469157630 /nfs/dbraw/zinc/15/76/30/469157630.db2.gz QEOCYEMYHZMXET-MSOLQXFVSA-N 2 2 328.460 2.082 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000588691671 469157634 /nfs/dbraw/zinc/15/76/34/469157634.db2.gz QEOCYEMYHZMXET-MSOLQXFVSA-N 2 2 328.460 2.082 10 0 EEAELP C[C@]12CCCC[C@H]1C[N@H+]2CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000626104369 469502450 /nfs/dbraw/zinc/50/24/50/469502450.db2.gz OOWOOACFQVKCJQ-LPHOPBHVSA-N 2 2 331.460 2.188 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C1CC1 ZINC000629386231 469527239 /nfs/dbraw/zinc/52/72/39/469527239.db2.gz NRIALIUFERHMLU-UHFFFAOYSA-N 2 2 340.471 2.296 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C1CC1 ZINC000629386231 469527241 /nfs/dbraw/zinc/52/72/41/469527241.db2.gz NRIALIUFERHMLU-UHFFFAOYSA-N 2 2 340.471 2.296 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000612695071 469529001 /nfs/dbraw/zinc/52/90/01/469529001.db2.gz HNUAQFXELPYHOC-DLBZAZTESA-N 2 2 338.455 2.263 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000612695071 469529004 /nfs/dbraw/zinc/52/90/04/469529004.db2.gz HNUAQFXELPYHOC-DLBZAZTESA-N 2 2 338.455 2.263 10 0 EEAELP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C ZINC000629584155 469585252 /nfs/dbraw/zinc/58/52/52/469585252.db2.gz MEEXPQYDNQLNHY-AHRSYUTCSA-N 2 2 329.488 2.412 10 0 EEAELP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1C ZINC000629584155 469585254 /nfs/dbraw/zinc/58/52/54/469585254.db2.gz MEEXPQYDNQLNHY-AHRSYUTCSA-N 2 2 329.488 2.412 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596035 469587841 /nfs/dbraw/zinc/58/78/41/469587841.db2.gz QILZUHBPPKDDEL-ZOCIIQOWSA-N 2 2 333.451 2.277 10 0 EEAELP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596035 469587847 /nfs/dbraw/zinc/58/78/47/469587847.db2.gz QILZUHBPPKDDEL-ZOCIIQOWSA-N 2 2 333.451 2.277 10 0 EEAELP Cc1cccc2[nH]cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c21 ZINC000617766854 469797501 /nfs/dbraw/zinc/79/75/01/469797501.db2.gz WWZSEDPCNMPYTC-UHFFFAOYSA-N 2 2 330.476 2.019 10 0 EEAELP Cc1cccc2[nH]cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c21 ZINC000617766854 469797505 /nfs/dbraw/zinc/79/75/05/469797505.db2.gz WWZSEDPCNMPYTC-UHFFFAOYSA-N 2 2 330.476 2.019 10 0 EEAELP Cc1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc2n1 ZINC000617768636 469798501 /nfs/dbraw/zinc/79/85/01/469798501.db2.gz NMGSNGFOBONIPJ-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP Cc1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc2n1 ZINC000617768636 469798502 /nfs/dbraw/zinc/79/85/02/469798502.db2.gz NMGSNGFOBONIPJ-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCCc3scnc32)C1=O ZINC000623958256 469805750 /nfs/dbraw/zinc/80/57/50/469805750.db2.gz HAPZAWMBFKAXAP-QWHCGFSZSA-N 2 2 345.472 2.035 10 0 EEAELP CC(C)[N@H+](C)CCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608425613 469815809 /nfs/dbraw/zinc/81/58/09/469815809.db2.gz ARCHHHHGCFOHFD-KRWDZBQOSA-N 2 2 343.475 2.343 10 0 EEAELP CC(C)[N@@H+](C)CCNC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000608425613 469815812 /nfs/dbraw/zinc/81/58/12/469815812.db2.gz ARCHHHHGCFOHFD-KRWDZBQOSA-N 2 2 343.475 2.343 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242928 469854752 /nfs/dbraw/zinc/85/47/52/469854752.db2.gz YCLJDUZCMWSUCM-CWRNSKLLSA-N 2 2 341.459 2.269 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000624155615 469859086 /nfs/dbraw/zinc/85/90/86/469859086.db2.gz YLDXFPZHPJACEA-WBVHZDCISA-N 2 2 332.492 2.382 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000624155615 469859089 /nfs/dbraw/zinc/85/90/89/469859089.db2.gz YLDXFPZHPJACEA-WBVHZDCISA-N 2 2 332.492 2.382 10 0 EEAELP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ocnc2C(F)F)CC1 ZINC000624548216 469973645 /nfs/dbraw/zinc/97/36/45/469973645.db2.gz ILMFHYUPCLLLOP-UHFFFAOYSA-N 2 2 337.330 2.011 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)o1 ZINC000628198169 470074063 /nfs/dbraw/zinc/07/40/63/470074063.db2.gz JQKXYKFUHJZAAW-SFHVURJKSA-N 2 2 328.460 2.370 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000625226051 470098286 /nfs/dbraw/zinc/09/82/86/470098286.db2.gz OEIBVDIEYVIQTB-KBPBESRZSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000625226051 470098289 /nfs/dbraw/zinc/09/82/89/470098289.db2.gz OEIBVDIEYVIQTB-KBPBESRZSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000625226051 470098290 /nfs/dbraw/zinc/09/82/90/470098290.db2.gz OEIBVDIEYVIQTB-KBPBESRZSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000625226051 470098294 /nfs/dbraw/zinc/09/82/94/470098294.db2.gz OEIBVDIEYVIQTB-KBPBESRZSA-N 2 2 335.414 2.203 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000625265671 470108494 /nfs/dbraw/zinc/10/84/94/470108494.db2.gz IXWUKWQSORRDQK-GFCCVEGCSA-N 2 2 332.370 2.010 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000625265671 470108498 /nfs/dbraw/zinc/10/84/98/470108498.db2.gz IXWUKWQSORRDQK-GFCCVEGCSA-N 2 2 332.370 2.010 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC000631888528 470189680 /nfs/dbraw/zinc/18/96/80/470189680.db2.gz XACNEGWLSDQLNA-AZUAARDMSA-N 2 2 343.515 2.344 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC000631888528 470189681 /nfs/dbraw/zinc/18/96/81/470189681.db2.gz XACNEGWLSDQLNA-AZUAARDMSA-N 2 2 343.515 2.344 10 0 EEAELP c1cc2c(nc(C3CC3)[nH+]c2N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000634812118 470324504 /nfs/dbraw/zinc/32/45/04/470324504.db2.gz AJLWHLCYSFTHKP-OAHLLOKOSA-N 2 2 341.459 2.430 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648722631 470325025 /nfs/dbraw/zinc/32/50/25/470325025.db2.gz BXKJPUBLTZQECG-HRCADAONSA-N 2 2 336.480 2.012 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000648722631 470325031 /nfs/dbraw/zinc/32/50/31/470325031.db2.gz BXKJPUBLTZQECG-HRCADAONSA-N 2 2 336.480 2.012 10 0 EEAELP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n(CC2CCC2)n1 ZINC000639303630 470462238 /nfs/dbraw/zinc/46/22/38/470462238.db2.gz UKCXZFACLDMZCA-SFHVURJKSA-N 2 2 332.492 2.370 10 0 EEAELP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)n(CC2CCC2)n1 ZINC000639303630 470462241 /nfs/dbraw/zinc/46/22/41/470462241.db2.gz UKCXZFACLDMZCA-SFHVURJKSA-N 2 2 332.492 2.370 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000645982082 470482571 /nfs/dbraw/zinc/48/25/71/470482571.db2.gz ATTTVCDYVRFNPM-UXHICEINSA-N 2 2 325.456 2.364 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000645982082 470482573 /nfs/dbraw/zinc/48/25/73/470482573.db2.gz ATTTVCDYVRFNPM-UXHICEINSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000645982082 470482579 /nfs/dbraw/zinc/48/25/79/470482579.db2.gz ATTTVCDYVRFNPM-UXHICEINSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000645982082 470482584 /nfs/dbraw/zinc/48/25/84/470482584.db2.gz ATTTVCDYVRFNPM-UXHICEINSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(-c3c[nH]c[nH+]3)cc2)CCO1 ZINC000633658098 470548742 /nfs/dbraw/zinc/54/87/42/470548742.db2.gz SSQRPBSXBICJIA-QGZVFWFLSA-N 2 2 342.443 2.260 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000633767690 470586007 /nfs/dbraw/zinc/58/60/07/470586007.db2.gz WOGVYKIMFPDTAH-CQSZACIVSA-N 2 2 340.349 2.321 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269477 470586880 /nfs/dbraw/zinc/58/68/80/470586880.db2.gz GOWYMKWGQQIOPT-RRFJBIMHSA-N 2 2 339.842 2.339 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646269477 470586883 /nfs/dbraw/zinc/58/68/83/470586883.db2.gz GOWYMKWGQQIOPT-RRFJBIMHSA-N 2 2 339.842 2.339 10 0 EEAELP COc1cccc(OC)c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000643886194 470811927 /nfs/dbraw/zinc/81/19/27/470811927.db2.gz RLXXDEJRGFPHNR-KRWDZBQOSA-N 2 2 347.503 2.306 10 0 EEAELP COc1cccc(OC)c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000643886194 470811930 /nfs/dbraw/zinc/81/19/30/470811930.db2.gz RLXXDEJRGFPHNR-KRWDZBQOSA-N 2 2 347.503 2.306 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899122 471010619 /nfs/dbraw/zinc/01/06/19/471010619.db2.gz AEDDHPUYDOPHBQ-BFYDXBDKSA-N 2 2 335.517 2.259 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899122 471010622 /nfs/dbraw/zinc/01/06/22/471010622.db2.gz AEDDHPUYDOPHBQ-BFYDXBDKSA-N 2 2 335.517 2.259 10 0 EEAELP Cc1cc([N@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000644693793 471014655 /nfs/dbraw/zinc/01/46/55/471014655.db2.gz CTFMMOBIXIJNKS-IEBWSBKVSA-N 2 2 347.503 2.479 10 0 EEAELP Cc1cc([N@@H+]2CCCC[C@H]2C)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000644693793 471014658 /nfs/dbraw/zinc/01/46/58/471014658.db2.gz CTFMMOBIXIJNKS-IEBWSBKVSA-N 2 2 347.503 2.479 10 0 EEAELP COc1ccccc1C1([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000647996269 471041003 /nfs/dbraw/zinc/04/10/03/471041003.db2.gz GHDGVGGDNACTDE-ROUUACIJSA-N 2 2 326.440 2.205 10 0 EEAELP C[NH+](C)CCN(C(=O)Cc1cn2c([nH+]1)CCCC2)C1CCCCC1 ZINC000651307280 471122197 /nfs/dbraw/zinc/12/21/97/471122197.db2.gz QXESAIHLSSIKSD-UHFFFAOYSA-N 2 2 332.492 2.485 10 0 EEAELP CC1CCC([NH+]2CCN(C(=O)Cc3cn4c([nH+]3)CCCC4)CC2)CC1 ZINC000651348025 471140058 /nfs/dbraw/zinc/14/00/58/471140058.db2.gz CKJZGJWVFOFTGU-UHFFFAOYSA-N 2 2 344.503 2.485 10 0 EEAELP COc1ccc2ccccc2c1C[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651890656 471157475 /nfs/dbraw/zinc/15/74/75/471157475.db2.gz MRWZJHOWUGXNLT-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP COc1ccc2ccccc2c1C[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000651890656 471157481 /nfs/dbraw/zinc/15/74/81/471157481.db2.gz MRWZJHOWUGXNLT-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP CCn1c[nH+]cc1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000651946594 471180708 /nfs/dbraw/zinc/18/07/08/471180708.db2.gz OWCIJSDEOKFXKM-UXHICEINSA-N 2 2 340.471 2.378 10 0 EEAELP CCn1c[nH+]cc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000651946594 471180711 /nfs/dbraw/zinc/18/07/11/471180711.db2.gz OWCIJSDEOKFXKM-UXHICEINSA-N 2 2 340.471 2.378 10 0 EEAELP CC(C)[C@@]1(CO)CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000645248258 471191018 /nfs/dbraw/zinc/19/10/18/471191018.db2.gz XBKUQZZOCKQKKG-PMACEKPBSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@@]1(CO)CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000645248258 471191021 /nfs/dbraw/zinc/19/10/21/471191021.db2.gz XBKUQZZOCKQKKG-PMACEKPBSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000645248258 471191025 /nfs/dbraw/zinc/19/10/25/471191025.db2.gz XBKUQZZOCKQKKG-PMACEKPBSA-N 2 2 334.504 2.210 10 0 EEAELP CC(C)[C@@]1(CO)CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000645248258 471191029 /nfs/dbraw/zinc/19/10/29/471191029.db2.gz XBKUQZZOCKQKKG-PMACEKPBSA-N 2 2 334.504 2.210 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000651550576 471208230 /nfs/dbraw/zinc/20/82/30/471208230.db2.gz ZVMULXQOCHKPGO-MAUKXSAKSA-N 2 2 342.487 2.237 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000651550576 471208234 /nfs/dbraw/zinc/20/82/34/471208234.db2.gz ZVMULXQOCHKPGO-MAUKXSAKSA-N 2 2 342.487 2.237 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)Nc2c(CC)cccc2CC)C[C@H]1C[NH3+] ZINC000652357465 471278095 /nfs/dbraw/zinc/27/80/95/471278095.db2.gz QPLRIRBDHHAYSC-ZTFGCOKTSA-N 2 2 347.503 2.434 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)Nc2c(CC)cccc2CC)C[C@H]1C[NH3+] ZINC000652357465 471278097 /nfs/dbraw/zinc/27/80/97/471278097.db2.gz QPLRIRBDHHAYSC-ZTFGCOKTSA-N 2 2 347.503 2.434 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355451 471278511 /nfs/dbraw/zinc/27/85/11/471278511.db2.gz YDUZOHAVWUANHZ-UONOGXRCSA-N 2 2 337.430 2.483 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355451 471278512 /nfs/dbraw/zinc/27/85/12/471278512.db2.gz YDUZOHAVWUANHZ-UONOGXRCSA-N 2 2 337.430 2.483 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000666208259 471316265 /nfs/dbraw/zinc/31/62/65/471316265.db2.gz PWZQZTUFJCLMPW-UHFFFAOYSA-N 2 2 341.525 2.446 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000666208259 471316267 /nfs/dbraw/zinc/31/62/67/471316267.db2.gz PWZQZTUFJCLMPW-UHFFFAOYSA-N 2 2 341.525 2.446 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478916 471359560 /nfs/dbraw/zinc/35/95/60/471359560.db2.gz DGICDQMRLLWZGJ-WMZOPIPTSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478916 471359564 /nfs/dbraw/zinc/35/95/64/471359564.db2.gz DGICDQMRLLWZGJ-WMZOPIPTSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478916 471359570 /nfs/dbraw/zinc/35/95/70/471359570.db2.gz DGICDQMRLLWZGJ-WMZOPIPTSA-N 3 2 334.508 2.100 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000660478916 471359573 /nfs/dbraw/zinc/35/95/73/471359573.db2.gz DGICDQMRLLWZGJ-WMZOPIPTSA-N 3 2 334.508 2.100 10 0 EEAELP CO[C@@](C)(CO)C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000655787295 471482692 /nfs/dbraw/zinc/48/26/92/471482692.db2.gz VAVLWRTWPUNNGJ-QGZVFWFLSA-N 2 2 326.868 2.291 10 0 EEAELP CCCc1nc(C)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000666796390 471540293 /nfs/dbraw/zinc/54/02/93/471540293.db2.gz BDGIWKUKSWFXJQ-UHFFFAOYSA-N 2 2 341.525 2.409 10 0 EEAELP CCCc1nc(C)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000666796390 471540299 /nfs/dbraw/zinc/54/02/99/471540299.db2.gz BDGIWKUKSWFXJQ-UHFFFAOYSA-N 2 2 341.525 2.409 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1c(F)cccc1Cl ZINC000663859381 471552683 /nfs/dbraw/zinc/55/26/83/471552683.db2.gz UCLQGNRUCCDODQ-UHFFFAOYSA-N 2 2 344.862 2.162 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1c(F)cccc1Cl ZINC000663859381 471552684 /nfs/dbraw/zinc/55/26/84/471552684.db2.gz UCLQGNRUCCDODQ-UHFFFAOYSA-N 2 2 344.862 2.162 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000669653882 471586033 /nfs/dbraw/zinc/58/60/33/471586033.db2.gz DKAVRACSLXBTNX-JKSUJKDBSA-N 2 2 345.491 2.203 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000669653882 471586037 /nfs/dbraw/zinc/58/60/37/471586037.db2.gz DKAVRACSLXBTNX-JKSUJKDBSA-N 2 2 345.491 2.203 10 0 EEAELP O=C(Cc1cn2ccccc2[nH+]1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659365282 471594131 /nfs/dbraw/zinc/59/41/31/471594131.db2.gz FXGLKPYLEQDLRI-KRWDZBQOSA-N 2 2 336.395 2.176 10 0 EEAELP COCCOCC[NH+]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000664072393 471629009 /nfs/dbraw/zinc/62/90/09/471629009.db2.gz OKSYPFFPTYMQHU-UHFFFAOYSA-N 2 2 347.381 2.194 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653679888 471710823 /nfs/dbraw/zinc/71/08/23/471710823.db2.gz ZOSKMKAOTLULDJ-PMACEKPBSA-N 2 2 325.456 2.364 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2ccncc2)C1 ZINC000653679888 471710826 /nfs/dbraw/zinc/71/08/26/471710826.db2.gz ZOSKMKAOTLULDJ-PMACEKPBSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000653679888 471710831 /nfs/dbraw/zinc/71/08/31/471710831.db2.gz ZOSKMKAOTLULDJ-PMACEKPBSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000653679888 471710833 /nfs/dbraw/zinc/71/08/33/471710833.db2.gz ZOSKMKAOTLULDJ-PMACEKPBSA-N 2 2 325.456 2.364 10 0 EEAELP CCCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000667475453 471791504 /nfs/dbraw/zinc/79/15/04/471791504.db2.gz QJKXLILBLPZZHL-QGZVFWFLSA-N 2 2 348.472 2.057 10 0 EEAELP CCCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000667475453 471791511 /nfs/dbraw/zinc/79/15/11/471791511.db2.gz QJKXLILBLPZZHL-QGZVFWFLSA-N 2 2 348.472 2.057 10 0 EEAELP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654059809 471823505 /nfs/dbraw/zinc/82/35/05/471823505.db2.gz DRBOGEBHGKRJJH-OAGGEKHMSA-N 2 2 342.443 2.100 10 0 EEAELP C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654059809 471823508 /nfs/dbraw/zinc/82/35/08/471823508.db2.gz DRBOGEBHGKRJJH-OAGGEKHMSA-N 2 2 342.443 2.100 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000660127856 471874290 /nfs/dbraw/zinc/87/42/90/471874290.db2.gz QGLQJWJBTSKXHV-JKIHBJOUSA-N 3 2 348.579 2.207 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000660127856 471874293 /nfs/dbraw/zinc/87/42/93/471874293.db2.gz QGLQJWJBTSKXHV-JKIHBJOUSA-N 3 2 348.579 2.207 10 0 EEAELP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccsc2Cl)CC1 ZINC000660164674 471889707 /nfs/dbraw/zinc/88/97/07/471889707.db2.gz KZSLLYJXTBSZDV-UHFFFAOYSA-N 2 2 330.881 2.061 10 0 EEAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665314203 472002235 /nfs/dbraw/zinc/00/22/35/472002235.db2.gz CKFBCCNJEGLWKJ-PBHICJAKSA-N 2 2 342.443 2.451 10 0 EEAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665314203 472002240 /nfs/dbraw/zinc/00/22/40/472002240.db2.gz CKFBCCNJEGLWKJ-PBHICJAKSA-N 2 2 342.443 2.451 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](CC(=O)NCCC2CCCCC2)CCO1 ZINC000662320002 472068328 /nfs/dbraw/zinc/06/83/28/472068328.db2.gz ORBPNFMWNHYRIK-GOSISDBHSA-N 2 2 339.524 2.116 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(=O)NCCC2CCCCC2)CCO1 ZINC000662320002 472068332 /nfs/dbraw/zinc/06/83/32/472068332.db2.gz ORBPNFMWNHYRIK-GOSISDBHSA-N 2 2 339.524 2.116 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CCO1 ZINC000662322862 472071829 /nfs/dbraw/zinc/07/18/29/472071829.db2.gz JAJDRLUHPCRKIA-IAGOWNOFSA-N 2 2 339.524 2.066 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CCO1 ZINC000662322862 472071831 /nfs/dbraw/zinc/07/18/31/472071831.db2.gz JAJDRLUHPCRKIA-IAGOWNOFSA-N 2 2 339.524 2.066 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000662454650 472115389 /nfs/dbraw/zinc/11/53/89/472115389.db2.gz PTZMQIQGHHSICE-CYBMUJFWSA-N 2 2 325.403 2.043 10 0 EEAELP CC(C)[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000662454650 472115395 /nfs/dbraw/zinc/11/53/95/472115395.db2.gz PTZMQIQGHHSICE-CYBMUJFWSA-N 2 2 325.403 2.043 10 0 EEAELP C[NH+]1CCN(c2ncc(C[NH+]3CCC(c4ccco4)CC3)cn2)CC1 ZINC000668462082 472135537 /nfs/dbraw/zinc/13/55/37/472135537.db2.gz KEGPIJOSNHIBTM-UHFFFAOYSA-N 2 2 341.459 2.201 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[N@H+](C)Cc1ccccc1 ZINC000668568680 472178754 /nfs/dbraw/zinc/17/87/54/472178754.db2.gz JMVNLYNDXKYDDK-GOEBONIOSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000668568680 472178757 /nfs/dbraw/zinc/17/87/57/472178757.db2.gz JMVNLYNDXKYDDK-GOEBONIOSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000668568680 472178762 /nfs/dbraw/zinc/17/87/62/472178762.db2.gz JMVNLYNDXKYDDK-GOEBONIOSA-N 2 2 326.444 2.151 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000668568680 472178764 /nfs/dbraw/zinc/17/87/64/472178764.db2.gz JMVNLYNDXKYDDK-GOEBONIOSA-N 2 2 326.444 2.151 10 0 EEAELP Cc1cn2cc(NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)ccc2[nH+]1 ZINC000665951462 472249740 /nfs/dbraw/zinc/24/97/40/472249740.db2.gz LLRDHTVRCLZPKH-MRXNPFEDSA-N 2 2 343.431 2.018 10 0 EEAELP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@@](C)(C(F)F)C2)cc1 ZINC000668825639 472286336 /nfs/dbraw/zinc/28/63/36/472286336.db2.gz PNFGZLYUEMECOD-QGZVFWFLSA-N 2 2 328.403 2.483 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000651364139 485537893 /nfs/dbraw/zinc/53/78/93/485537893.db2.gz UNCQDSGJZFWLBQ-KRWDZBQOSA-N 2 2 330.476 2.239 10 0 EEAELP C[C@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045072 485573025 /nfs/dbraw/zinc/57/30/25/485573025.db2.gz SEFLTIPXYPFOBY-GHTZIAJQSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045072 485573031 /nfs/dbraw/zinc/57/30/31/485573031.db2.gz SEFLTIPXYPFOBY-GHTZIAJQSA-N 3 2 345.531 2.333 10 0 EEAELP CNc1nc(N(C)[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2C)cc[nH+]1 ZINC000584660198 485587914 /nfs/dbraw/zinc/58/79/14/485587914.db2.gz QECPSDYUIGDWKH-WBVHZDCISA-N 2 2 325.460 2.865 10 0 EEAELP CNc1nc(N(C)[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C)cc[nH+]1 ZINC000584660198 485587919 /nfs/dbraw/zinc/58/79/19/485587919.db2.gz QECPSDYUIGDWKH-WBVHZDCISA-N 2 2 325.460 2.865 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C)o1)CC2 ZINC000624760837 485679839 /nfs/dbraw/zinc/67/98/39/485679839.db2.gz IFYJAIGJLFLJSY-INIZCTEOSA-N 2 2 344.459 2.246 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000679946588 485852710 /nfs/dbraw/zinc/85/27/10/485852710.db2.gz LBUZEEIXGRSOLZ-QGZVFWFLSA-N 2 2 333.480 2.179 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C1 ZINC000679946588 485852715 /nfs/dbraw/zinc/85/27/15/485852715.db2.gz LBUZEEIXGRSOLZ-QGZVFWFLSA-N 2 2 333.480 2.179 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613542 486160490 /nfs/dbraw/zinc/16/04/90/486160490.db2.gz JJGAEIYCGNJNTE-ROUUACIJSA-N 2 2 348.878 2.276 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613542 486160497 /nfs/dbraw/zinc/16/04/97/486160497.db2.gz JJGAEIYCGNJNTE-ROUUACIJSA-N 2 2 348.878 2.276 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613542 486160505 /nfs/dbraw/zinc/16/05/05/486160505.db2.gz JJGAEIYCGNJNTE-ROUUACIJSA-N 2 2 348.878 2.276 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000685613542 486160511 /nfs/dbraw/zinc/16/05/11/486160511.db2.gz JJGAEIYCGNJNTE-ROUUACIJSA-N 2 2 348.878 2.276 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000174775483 527754023 /nfs/dbraw/zinc/75/40/23/527754023.db2.gz IWFPDPBTHRZSRS-RHSMWYFYSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000174775483 527754028 /nfs/dbraw/zinc/75/40/28/527754028.db2.gz IWFPDPBTHRZSRS-RHSMWYFYSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000174775483 527754030 /nfs/dbraw/zinc/75/40/30/527754030.db2.gz IWFPDPBTHRZSRS-RHSMWYFYSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000174775483 527754034 /nfs/dbraw/zinc/75/40/34/527754034.db2.gz IWFPDPBTHRZSRS-RHSMWYFYSA-N 2 2 347.459 2.074 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000131476376 527980562 /nfs/dbraw/zinc/98/05/62/527980562.db2.gz XPMMMHIZVDQIPY-DLBZAZTESA-N 2 2 347.507 2.218 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000131476376 527980568 /nfs/dbraw/zinc/98/05/68/527980568.db2.gz XPMMMHIZVDQIPY-DLBZAZTESA-N 2 2 347.507 2.218 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133123896 529290120 /nfs/dbraw/zinc/29/01/20/529290120.db2.gz URHFLPNPDGSGNF-HRCADAONSA-N 2 2 325.403 2.166 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133123896 529290124 /nfs/dbraw/zinc/29/01/24/529290124.db2.gz URHFLPNPDGSGNF-HRCADAONSA-N 2 2 325.403 2.166 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCN(C=O)CC2)c(C)c1 ZINC000774269993 577392693 /nfs/dbraw/zinc/39/26/93/577392693.db2.gz MZJWFETUCUSCNO-IBGZPJMESA-N 2 2 326.444 2.452 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]CCCc2c(C)noc2C)CC1 ZINC000765937197 577509466 /nfs/dbraw/zinc/50/94/66/577509466.db2.gz FETQMEHTURYXRC-UHFFFAOYSA-N 2 2 337.464 2.231 10 0 EEAELP CC1(C)C[C@@H]([NH2+]CCCN2CCOC2=O)C[N@@H+]1Cc1ccccc1 ZINC000762477636 577701867 /nfs/dbraw/zinc/70/18/67/577701867.db2.gz VTFQSCRDDFVBCV-QGZVFWFLSA-N 2 2 331.460 2.471 10 0 EEAELP CC1(C)C[C@@H]([NH2+]CCCN2CCOC2=O)C[N@H+]1Cc1ccccc1 ZINC000762477636 577701868 /nfs/dbraw/zinc/70/18/68/577701868.db2.gz VTFQSCRDDFVBCV-QGZVFWFLSA-N 2 2 331.460 2.471 10 0 EEAELP Cc1nc2cc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)ccc2s1 ZINC000926089048 676224529 /nfs/dbraw/zinc/22/45/29/676224529.db2.gz QUGDPRPIPNIGEY-UHFFFAOYSA-N 2 2 333.461 2.149 10 0 EEAELP O=C1N(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@@H]2CCCCN12 ZINC000895340920 684516305 /nfs/dbraw/zinc/51/63/05/684516305.db2.gz CQEZQBKUXXCHRP-AWEZNQCLSA-N 2 2 345.472 2.314 10 0 EEAELP COC(=O)c1[nH]c(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1C ZINC000895556582 684641205 /nfs/dbraw/zinc/64/12/05/684641205.db2.gz LADLKIPPTULVKV-CQSZACIVSA-N 2 2 328.416 2.215 10 0 EEAELP COC(=O)c1[nH]c(C[N@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1C ZINC000895556582 684641207 /nfs/dbraw/zinc/64/12/07/684641207.db2.gz LADLKIPPTULVKV-CQSZACIVSA-N 2 2 328.416 2.215 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c[nH+]1 ZINC000895797464 684728958 /nfs/dbraw/zinc/72/89/58/684728958.db2.gz FKAJKBKJXWXNRM-MRXNPFEDSA-N 2 2 332.423 2.485 10 0 EEAELP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC([NH+]2CCCC2)C1 ZINC000898608878 693393498 /nfs/dbraw/zinc/39/34/98/693393498.db2.gz IWDOEEFNOUJAKV-SFHVURJKSA-N 2 2 331.435 2.097 10 0 EEAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC([NH+]2CCCC2)C1 ZINC000898608878 693393504 /nfs/dbraw/zinc/39/35/04/693393504.db2.gz IWDOEEFNOUJAKV-SFHVURJKSA-N 2 2 331.435 2.097 10 0 EEAELP Cc1csc(C[N@H+]2C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)n1 ZINC001485577059 1191845253 /nfs/dbraw/zinc/84/52/53/1191845253.db2.gz JOLVXRWQGOQOKG-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1csc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)n1 ZINC001485577059 1191845256 /nfs/dbraw/zinc/84/52/56/1191845256.db2.gz JOLVXRWQGOQOKG-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP C[C@@H](c1ncccn1)[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581634 1191848394 /nfs/dbraw/zinc/84/83/94/1191848394.db2.gz HGRVLWAGGWGVEJ-HOTGVXAUSA-N 2 2 347.507 2.096 10 0 EEAELP C[C@@H](c1ncccn1)[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581634 1191848396 /nfs/dbraw/zinc/84/83/96/1191848396.db2.gz HGRVLWAGGWGVEJ-HOTGVXAUSA-N 2 2 347.507 2.096 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cc1c[nH+]cn1C ZINC001485744602 1191919334 /nfs/dbraw/zinc/91/93/34/1191919334.db2.gz MEMSZARFFQTMEC-ZDUSSCGKSA-N 2 2 349.866 2.086 10 0 EEAELP C[C@@H](CCC[NH2+]C/C(Cl)=C\Cl)NC(=O)Cc1c[nH+]cn1C ZINC001485745459 1191928696 /nfs/dbraw/zinc/92/86/96/1191928696.db2.gz UWLRMXOLLIRLTB-WBOGTDJTSA-N 2 2 333.263 2.156 10 0 EEAELP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001670483924 1176827756 /nfs/dbraw/zinc/82/77/56/1176827756.db2.gz FKRLQILCJXDACE-WMZOPIPTSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)C[C@H](C(=O)N(C)CC[NH2+]Cc1ccccn1)n1cc[nH+]c1 ZINC001266733981 1177322443 /nfs/dbraw/zinc/32/24/43/1177322443.db2.gz JMMQIAQBDRYFHZ-QGZVFWFLSA-N 2 2 329.448 2.114 10 0 EEAELP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)CCc1[nH+]ccn1C ZINC001266785737 1177425782 /nfs/dbraw/zinc/42/57/82/1177425782.db2.gz XDRIFAAOOIWWHC-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]CCCc1ccccc1Cl ZINC001266985771 1178041193 /nfs/dbraw/zinc/04/11/93/1178041193.db2.gz PVSIWGBEJGUHLU-AWEZNQCLSA-N 2 2 348.878 2.343 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001267143841 1178319003 /nfs/dbraw/zinc/31/90/03/1178319003.db2.gz QBHWOULTRNXWNM-UHFFFAOYSA-N 2 2 341.242 2.438 10 0 EEAELP O=C(NC[C@@H]([NH2+]CCCF)c1ccccc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001267519600 1179246008 /nfs/dbraw/zinc/24/60/08/1179246008.db2.gz FJGNIVDOWKFYGJ-SJLPKXTDSA-N 2 2 344.434 2.252 10 0 EEAELP CC[N@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC001480991285 1179440763 /nfs/dbraw/zinc/44/07/63/1179440763.db2.gz RVWLBEJFMRITSN-GOSISDBHSA-N 2 2 326.444 2.399 10 0 EEAELP CC[N@@H+](CCNC(=O)CCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC001480991285 1179440767 /nfs/dbraw/zinc/44/07/67/1179440767.db2.gz RVWLBEJFMRITSN-GOSISDBHSA-N 2 2 326.444 2.399 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001481125535 1179838378 /nfs/dbraw/zinc/83/83/78/1179838378.db2.gz GFZXKIRUINCTCC-INIZCTEOSA-N 2 2 337.427 2.003 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC001481125535 1179838386 /nfs/dbraw/zinc/83/83/86/1179838386.db2.gz GFZXKIRUINCTCC-INIZCTEOSA-N 2 2 337.427 2.003 10 0 EEAELP CCO[C@H](C[NH2+]CCN(C)C(=O)c1c(C)cc(C)[nH+]c1C)C1CC1 ZINC001481258786 1180496664 /nfs/dbraw/zinc/49/66/64/1180496664.db2.gz ACZAZEBOOADEJD-QGZVFWFLSA-N 2 2 333.476 2.484 10 0 EEAELP Cc1ccncc1C[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267901316 1180729175 /nfs/dbraw/zinc/72/91/75/1180729175.db2.gz YRSBNLGQLIOMIQ-QGZVFWFLSA-N 2 2 341.459 2.005 10 0 EEAELP COCCC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001268035979 1181373408 /nfs/dbraw/zinc/37/34/08/1181373408.db2.gz JWEGWWQEEUOMOH-UHFFFAOYSA-N 2 2 344.459 2.311 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001481559432 1181719374 /nfs/dbraw/zinc/71/93/74/1181719374.db2.gz LREMKSNRFDGJOT-RHSMWYFYSA-N 2 2 348.491 2.012 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCCCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001268202417 1182001131 /nfs/dbraw/zinc/00/11/31/1182001131.db2.gz VEJXSHARHMXIDO-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCCCCF)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001268202417 1182001133 /nfs/dbraw/zinc/00/11/33/1182001133.db2.gz VEJXSHARHMXIDO-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP CC/C=C\CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001481639635 1182010321 /nfs/dbraw/zinc/01/03/21/1182010321.db2.gz BXNJQJSFRZVNHB-LLHWWHOWSA-N 2 2 349.519 2.034 10 0 EEAELP CC/C=C\CC[NH+]1CC(CNC(=O)[C@@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001481639635 1182010327 /nfs/dbraw/zinc/01/03/27/1182010327.db2.gz BXNJQJSFRZVNHB-LLHWWHOWSA-N 2 2 349.519 2.034 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001268288966 1182173159 /nfs/dbraw/zinc/17/31/59/1182173159.db2.gz KIYXVFAONJXUDO-SJLPKXTDSA-N 2 2 332.492 2.417 10 0 EEAELP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@H]1CC1(Cl)Cl ZINC001481680615 1182194601 /nfs/dbraw/zinc/19/46/01/1182194601.db2.gz HOMGNSJMMNFNLE-IHRRRGAJSA-N 2 2 348.318 2.197 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@H]1CC1(Cl)Cl ZINC001481680615 1182194602 /nfs/dbraw/zinc/19/46/02/1182194602.db2.gz HOMGNSJMMNFNLE-IHRRRGAJSA-N 2 2 348.318 2.197 10 0 EEAELP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CC1(Cl)Cl ZINC001481680615 1182194603 /nfs/dbraw/zinc/19/46/03/1182194603.db2.gz HOMGNSJMMNFNLE-IHRRRGAJSA-N 2 2 348.318 2.197 10 0 EEAELP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@H]1CC1(Cl)Cl ZINC001481680615 1182194604 /nfs/dbraw/zinc/19/46/04/1182194604.db2.gz HOMGNSJMMNFNLE-IHRRRGAJSA-N 2 2 348.318 2.197 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001268377347 1182393453 /nfs/dbraw/zinc/39/34/53/1182393453.db2.gz IXLPOAMSRRIFAI-LSDHHAIUSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001268407377 1182523128 /nfs/dbraw/zinc/52/31/28/1182523128.db2.gz TUMAKHGRFJNJMD-OLZOCXBDSA-N 2 2 335.477 2.284 10 0 EEAELP CC(C)OCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001481999456 1183112677 /nfs/dbraw/zinc/11/26/77/1183112677.db2.gz ODEMUBYRTJMJSR-IAGOWNOFSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)OCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001481999456 1183112683 /nfs/dbraw/zinc/11/26/83/1183112683.db2.gz ODEMUBYRTJMJSR-IAGOWNOFSA-N 2 2 348.491 2.157 10 0 EEAELP C[C@@H](O)CCC[NH2+][C@H]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001482019192 1183142867 /nfs/dbraw/zinc/14/28/67/1183142867.db2.gz ZRMIJXYHDZRDDK-FVQBIDKESA-N 2 2 344.459 2.355 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]CCc1cccs1 ZINC001482117623 1183351188 /nfs/dbraw/zinc/35/11/88/1183351188.db2.gz XCEXRCYLIDKJNO-GJZGRUSLSA-N 2 2 346.500 2.092 10 0 EEAELP CC[C@H](F)C[NH2+]C[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001482152036 1183470875 /nfs/dbraw/zinc/47/08/75/1183470875.db2.gz QVFVYRSRAHCPFR-ZFWWWQNUSA-N 2 2 334.439 2.275 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]CC=C(Cl)Cl ZINC001482162901 1183481441 /nfs/dbraw/zinc/48/14/41/1183481441.db2.gz FRKNNEVENQKIHZ-LLVKDONJSA-N 2 2 333.263 2.014 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)sn1 ZINC001268651099 1183579815 /nfs/dbraw/zinc/57/98/15/1183579815.db2.gz KXQMVQSULDCHDN-LLVKDONJSA-N 2 2 329.429 2.236 10 0 EEAELP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269622859 1184442771 /nfs/dbraw/zinc/44/27/71/1184442771.db2.gz OBJRMVOCGVOSRG-HNAYVOBHSA-N 2 2 330.476 2.286 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001271120451 1185915430 /nfs/dbraw/zinc/91/54/30/1185915430.db2.gz HETMLQPYBYOWAA-OAHLLOKOSA-N 2 2 328.460 2.194 10 0 EEAELP CC[C@H](F)C[NH2+]CC[C@@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001482464420 1185949217 /nfs/dbraw/zinc/94/92/17/1185949217.db2.gz ZEQSSFGQFPVMBD-HOTGVXAUSA-N 2 2 338.471 2.462 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001691523455 1186001101 /nfs/dbraw/zinc/00/11/01/1186001101.db2.gz GKSUKXGJVUPXGJ-SHTZXODSSA-N 2 2 332.473 2.131 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001271590514 1186326288 /nfs/dbraw/zinc/32/62/88/1186326288.db2.gz CAWDDDBOIBKPTH-HOTGVXAUSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C)cc1 ZINC001271674043 1186366647 /nfs/dbraw/zinc/36/66/47/1186366647.db2.gz RFLUIEIJJYQNMG-FUHWJXTLSA-N 2 2 340.471 2.187 10 0 EEAELP CO[C@H](C[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001482613786 1187404522 /nfs/dbraw/zinc/40/45/22/1187404522.db2.gz LIGXQJJUMGDLPJ-QGZVFWFLSA-N 2 2 344.459 2.153 10 0 EEAELP CO[C@H](C[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001482613786 1187404525 /nfs/dbraw/zinc/40/45/25/1187404525.db2.gz LIGXQJJUMGDLPJ-QGZVFWFLSA-N 2 2 344.459 2.153 10 0 EEAELP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001482651423 1187487711 /nfs/dbraw/zinc/48/77/11/1187487711.db2.gz CRCOIGPXTTYDTF-SJLPKXTDSA-N 2 2 347.507 2.048 10 0 EEAELP CC(C)[C@H](C(=O)N(C)CC[N@@H+](C)[C@H](C)c1cnccn1)[NH+]1CCCC1 ZINC001482651423 1187487713 /nfs/dbraw/zinc/48/77/13/1187487713.db2.gz CRCOIGPXTTYDTF-SJLPKXTDSA-N 2 2 347.507 2.048 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001482845989 1187765418 /nfs/dbraw/zinc/76/54/18/1187765418.db2.gz QNURMQYZYVXCAW-FUHWJXTLSA-N 2 2 340.471 2.439 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)CCc1[nH+]ccn1C ZINC001482938666 1187859964 /nfs/dbraw/zinc/85/99/64/1187859964.db2.gz AASUNHBNOAOOAD-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP CN(CC[NH2+]Cc1cc(Cl)ccc1F)C(=O)Cc1c[nH+]cn1C ZINC001691555852 1188261293 /nfs/dbraw/zinc/26/12/93/1188261293.db2.gz MJPHUINYPPEDGK-UHFFFAOYSA-N 2 2 338.814 2.003 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001691573385 1188271912 /nfs/dbraw/zinc/27/19/12/1188271912.db2.gz RKHBHOGBJKYGRT-UIZHIOIMSA-N 2 2 330.476 2.479 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@@H]2C1 ZINC001691573385 1188271916 /nfs/dbraw/zinc/27/19/16/1188271916.db2.gz RKHBHOGBJKYGRT-UIZHIOIMSA-N 2 2 330.476 2.479 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]Cc1ccc(CF)cc1 ZINC001483088923 1188451966 /nfs/dbraw/zinc/45/19/66/1188451966.db2.gz UFBPFDYFEIZYSQ-NSCUHMNNSA-N 2 2 330.407 2.192 10 0 EEAELP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001272838563 1193571618 /nfs/dbraw/zinc/57/16/18/1193571618.db2.gz YZQZCDCYVHPSFA-HFBAOOFYSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001272838563 1193571622 /nfs/dbraw/zinc/57/16/22/1193571622.db2.gz YZQZCDCYVHPSFA-HFBAOOFYSA-N 2 2 348.397 2.476 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483229302 1189549988 /nfs/dbraw/zinc/54/99/88/1189549988.db2.gz IDRZTFLYWFHXRS-INIZCTEOSA-N 2 2 340.471 2.365 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH+]cn2C)cc1 ZINC001409450793 1189695848 /nfs/dbraw/zinc/69/58/48/1189695848.db2.gz GNYIZNCFSJAHTE-LSDHHAIUSA-N 2 2 344.459 2.044 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001409455298 1189704344 /nfs/dbraw/zinc/70/43/44/1189704344.db2.gz HTZCFVLLLCOQML-GJZGRUSLSA-N 2 2 344.459 2.044 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCn2cc[nH+]c2)c1 ZINC001485907505 1193636019 /nfs/dbraw/zinc/63/60/19/1193636019.db2.gz YQJPEAJYTZUVJC-CVEARBPZSA-N 2 2 344.459 2.480 10 0 EEAELP CN(CC(C)(C)C[NH2+]C[C@@H]1CCC(F)(F)C1)C(=O)Cn1cc[nH+]c1 ZINC001409514569 1189966743 /nfs/dbraw/zinc/96/67/43/1189966743.db2.gz PXKROCGVNIKUMH-CQSZACIVSA-N 2 2 342.434 2.393 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCc1ccccc1 ZINC001409573373 1190054640 /nfs/dbraw/zinc/05/46/40/1190054640.db2.gz GKMVVYSYTMFQJX-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCc1ccccc1 ZINC001409573373 1190054646 /nfs/dbraw/zinc/05/46/46/1190054646.db2.gz GKMVVYSYTMFQJX-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001409599605 1190088767 /nfs/dbraw/zinc/08/87/67/1190088767.db2.gz YKUKNPJIVRVKBA-RDTXWAMCSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001409599605 1190088771 /nfs/dbraw/zinc/08/87/71/1190088771.db2.gz YKUKNPJIVRVKBA-RDTXWAMCSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001409599605 1190088774 /nfs/dbraw/zinc/08/87/74/1190088774.db2.gz YKUKNPJIVRVKBA-RDTXWAMCSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001409599605 1190088778 /nfs/dbraw/zinc/08/87/78/1190088778.db2.gz YKUKNPJIVRVKBA-RDTXWAMCSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC/C=C/c1ccccc1 ZINC001409689602 1190191375 /nfs/dbraw/zinc/19/13/75/1190191375.db2.gz HYJJCJKWHAYKEI-BHMZLHOFSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC/C=C/c1ccccc1 ZINC001409689602 1190191377 /nfs/dbraw/zinc/19/13/77/1190191377.db2.gz HYJJCJKWHAYKEI-BHMZLHOFSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@H](C[N@H+](C)CC/C=C\c1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001483426811 1190474281 /nfs/dbraw/zinc/47/42/81/1190474281.db2.gz GSSYAKDQPNWMMA-XBMZPMPPSA-N 2 2 326.444 2.423 10 0 EEAELP C[C@H](C[N@@H+](C)CC/C=C\c1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001483426811 1190474285 /nfs/dbraw/zinc/47/42/85/1190474285.db2.gz GSSYAKDQPNWMMA-XBMZPMPPSA-N 2 2 326.444 2.423 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C1C[NH+](CC/C=C/c2ccccc2)C1 ZINC001483870924 1191102053 /nfs/dbraw/zinc/10/20/53/1191102053.db2.gz UBOYHGDTXHKLLH-UXBLZVDNSA-N 2 2 338.455 2.438 10 0 EEAELP Cc1cc(C[NH+]2CCC(C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC001483968360 1191136030 /nfs/dbraw/zinc/13/60/30/1191136030.db2.gz VKRMBUCJQGJUFV-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1cc(C[NH+]2CCC(C)(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC001483968360 1191136031 /nfs/dbraw/zinc/13/60/31/1191136031.db2.gz VKRMBUCJQGJUFV-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001484049676 1191175430 /nfs/dbraw/zinc/17/54/30/1191175430.db2.gz PCUKXQQKWCEDKO-QDYBUIJZSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001484049676 1191175433 /nfs/dbraw/zinc/17/54/33/1191175433.db2.gz PCUKXQQKWCEDKO-QDYBUIJZSA-N 2 2 330.476 2.382 10 0 EEAELP CO[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001484390438 1191325102 /nfs/dbraw/zinc/32/51/02/1191325102.db2.gz CVUMFLOCCLPHFL-TXTZMMAHSA-N 2 2 348.491 2.228 10 0 EEAELP CO[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001484390438 1191325104 /nfs/dbraw/zinc/32/51/04/1191325104.db2.gz CVUMFLOCCLPHFL-TXTZMMAHSA-N 2 2 348.491 2.228 10 0 EEAELP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC(F)(F)C(F)F ZINC001484999654 1191607923 /nfs/dbraw/zinc/60/79/23/1191607923.db2.gz CLPVGXNORVRELU-NSHDSACASA-N 2 2 341.393 2.103 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001485235456 1191701367 /nfs/dbraw/zinc/70/13/67/1191701367.db2.gz XIRXFUIDRNZHNU-HUUCEWRRSA-N 2 2 326.444 2.444 10 0 EEAELP Cc1cc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001485312384 1191729443 /nfs/dbraw/zinc/72/94/43/1191729443.db2.gz IEYJPDNMLBICKI-YJBOKZPZSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)on1 ZINC001485312384 1191729446 /nfs/dbraw/zinc/72/94/46/1191729446.db2.gz IEYJPDNMLBICKI-YJBOKZPZSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)on1 ZINC001485312384 1191729447 /nfs/dbraw/zinc/72/94/47/1191729447.db2.gz IEYJPDNMLBICKI-YJBOKZPZSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)on1 ZINC001485312384 1191729449 /nfs/dbraw/zinc/72/94/49/1191729449.db2.gz IEYJPDNMLBICKI-YJBOKZPZSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ccncc1C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001485355344 1191760404 /nfs/dbraw/zinc/76/04/04/1191760404.db2.gz FUCPSINKZATAAV-HZPDHXFCSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ccncc1C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001485355344 1191760406 /nfs/dbraw/zinc/76/04/06/1191760406.db2.gz FUCPSINKZATAAV-HZPDHXFCSA-N 2 2 329.448 2.174 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)(C)C ZINC001486398446 1193899093 /nfs/dbraw/zinc/89/90/93/1193899093.db2.gz AYSNRVZHHWBDBH-HOTGVXAUSA-N 2 2 335.496 2.319 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)(C)C ZINC001486398446 1193899100 /nfs/dbraw/zinc/89/91/00/1193899100.db2.gz AYSNRVZHHWBDBH-HOTGVXAUSA-N 2 2 335.496 2.319 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]Cc1ncc(C2CC2)o1)NC(=O)C[NH+]1CCCC1 ZINC001486424372 1193938621 /nfs/dbraw/zinc/93/86/21/1193938621.db2.gz RZZGFHXPZBCHII-MRXNPFEDSA-N 2 2 348.491 2.268 10 0 EEAELP COCCC[NH2+][C@@H](C)C1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001691667327 1194318194 /nfs/dbraw/zinc/31/81/94/1194318194.db2.gz PTAXSIZCSSCNDS-AWEZNQCLSA-N 2 2 344.459 2.430 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CCCc2ccccc2)CCC1 ZINC001273178661 1197357093 /nfs/dbraw/zinc/35/70/93/1197357093.db2.gz BNFJYDTYAANVJK-UHFFFAOYSA-N 2 2 340.471 2.224 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001273212652 1197560132 /nfs/dbraw/zinc/56/01/32/1197560132.db2.gz PQBMKJWPLHWYGT-GFCCVEGCSA-N 2 2 338.814 2.360 10 0 EEAELP C[N@H+](CCC[C@@H]1CCOC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001410250010 1197633203 /nfs/dbraw/zinc/63/32/03/1197633203.db2.gz IVSSRUCBKLLJNJ-QGZVFWFLSA-N 2 2 348.491 2.013 10 0 EEAELP C[N@@H+](CCC[C@@H]1CCOC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001410250010 1197633204 /nfs/dbraw/zinc/63/32/04/1197633204.db2.gz IVSSRUCBKLLJNJ-QGZVFWFLSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc2cncc(C)c2)c[nH+]1 ZINC001410391475 1197791301 /nfs/dbraw/zinc/79/13/01/1197791301.db2.gz JLAIAWVUQQLGOB-HNNXBMFYSA-N 2 2 343.475 2.267 10 0 EEAELP C[N@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cscn1)CC2)C1CCC1 ZINC001410885690 1198535170 /nfs/dbraw/zinc/53/51/70/1198535170.db2.gz BZJADNZMSMPZTJ-SJLPKXTDSA-N 2 2 348.516 2.241 10 0 EEAELP C[N@@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1cscn1)CC2)C1CCC1 ZINC001410885690 1198535173 /nfs/dbraw/zinc/53/51/73/1198535173.db2.gz BZJADNZMSMPZTJ-SJLPKXTDSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2)C1CCC1 ZINC001410885690 1198535175 /nfs/dbraw/zinc/53/51/75/1198535175.db2.gz BZJADNZMSMPZTJ-SJLPKXTDSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2)C1CCC1 ZINC001410885690 1198535178 /nfs/dbraw/zinc/53/51/78/1198535178.db2.gz BZJADNZMSMPZTJ-SJLPKXTDSA-N 2 2 348.516 2.241 10 0 EEAELP CC(C)C[C@H](C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001411115363 1198810962 /nfs/dbraw/zinc/81/09/62/1198810962.db2.gz OGUYGOGQRVBILG-RDJZCZTQSA-N 2 2 334.508 2.471 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC[C@@H](C)F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001411193779 1198889631 /nfs/dbraw/zinc/88/96/31/1198889631.db2.gz DVRIMZHLUQSNFZ-CVEARBPZSA-N 2 2 338.471 2.362 10 0 EEAELP CC(C)N(CC[N@H+](C)CC[C@@H](C)F)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001411193779 1198889634 /nfs/dbraw/zinc/88/96/34/1198889634.db2.gz DVRIMZHLUQSNFZ-CVEARBPZSA-N 2 2 338.471 2.362 10 0 EEAELP CCC(CC)[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)[NH+]1CCOCC1 ZINC000871154502 1201075936 /nfs/dbraw/zinc/07/59/36/1201075936.db2.gz FSIVFIWVZFDSRP-KRWDZBQOSA-N 2 2 339.524 2.066 10 0 EEAELP CCC(CC)[C@@H](C(=O)N1CC[N@@H+](C)C(C)(C)CC1)[NH+]1CCOCC1 ZINC000871154502 1201075947 /nfs/dbraw/zinc/07/59/47/1201075947.db2.gz FSIVFIWVZFDSRP-KRWDZBQOSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ncccn1)[NH+]1CCCCCC1 ZINC001274413135 1205026248 /nfs/dbraw/zinc/02/62/48/1205026248.db2.gz KSYZBIUCPVSUOH-LZCSOBMZSA-N 2 2 345.491 2.064 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ncccn1 ZINC001274413129 1205026695 /nfs/dbraw/zinc/02/66/95/1205026695.db2.gz KSYZBIUCPVSUOH-CSLAMCDYSA-N 2 2 345.491 2.064 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CCOc1cc(C)ccc1C ZINC001275422237 1205352905 /nfs/dbraw/zinc/35/29/05/1205352905.db2.gz RDSLHHNOAWGWJK-HNNXBMFYSA-N 2 2 344.459 2.051 10 0 EEAELP CC[NH+]1CCC(C(=O)N[C@@H]2CCn3c[nH+]cc32)(c2ccccc2)CC1 ZINC001412385206 1205710519 /nfs/dbraw/zinc/71/05/19/1205710519.db2.gz PUAUFHHHNIKXSZ-QGZVFWFLSA-N 2 2 338.455 2.498 10 0 EEAELP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924839117 1206040372 /nfs/dbraw/zinc/04/03/72/1206040372.db2.gz JSYDVNSRKJZIMI-SNVBAGLBSA-N 2 2 335.395 2.192 10 0 EEAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)n1 ZINC000924860608 1206042949 /nfs/dbraw/zinc/04/29/49/1206042949.db2.gz CLHMEVYQHGMVTR-AWEZNQCLSA-N 2 2 331.464 2.398 10 0 EEAELP Cn1ncc(Br)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925726596 1206147028 /nfs/dbraw/zinc/14/70/28/1206147028.db2.gz UMLZEIFQRQLONP-GXTWGEPZSA-N 2 2 341.297 2.441 10 0 EEAELP Cc1cn2cc(NC(=O)N3CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C3)ccc2[nH+]1 ZINC000926008870 1206181372 /nfs/dbraw/zinc/18/13/72/1206181372.db2.gz JDFPFNMIWUTQND-NEPJUHHUSA-N 2 2 341.337 2.386 10 0 EEAELP C[C@@](O)(C[NH+]1CCC(n2cc[nH+]c2)CC1)C(F)(F)C(F)(F)F ZINC000929803667 1206503763 /nfs/dbraw/zinc/50/37/63/1206503763.db2.gz MEALMSMEXICIKQ-LLVKDONJSA-N 2 2 327.297 2.469 10 0 EEAELP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576422 1206568181 /nfs/dbraw/zinc/56/81/81/1206568181.db2.gz KGBWSDQFQSWGSI-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576422 1206568182 /nfs/dbraw/zinc/56/81/82/1206568182.db2.gz KGBWSDQFQSWGSI-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576422 1206568183 /nfs/dbraw/zinc/56/81/83/1206568183.db2.gz KGBWSDQFQSWGSI-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)C2)C1 ZINC000930576422 1206568185 /nfs/dbraw/zinc/56/81/85/1206568185.db2.gz KGBWSDQFQSWGSI-NWDGAFQWSA-N 2 2 330.341 2.353 10 0 EEAELP C(C[NH+]1CCC([N@@H+]2CCCOCC2)CC1)OC1CCSCC1 ZINC000931284653 1206621850 /nfs/dbraw/zinc/62/18/50/1206621850.db2.gz XCPWURPIQHVDSS-UHFFFAOYSA-N 2 2 328.522 2.085 10 0 EEAELP C(C[NH+]1CCC([N@H+]2CCCOCC2)CC1)OC1CCSCC1 ZINC000931284653 1206621851 /nfs/dbraw/zinc/62/18/51/1206621851.db2.gz XCPWURPIQHVDSS-UHFFFAOYSA-N 2 2 328.522 2.085 10 0 EEAELP O=[S@](CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1)C(F)(F)F ZINC000931708216 1207445791 /nfs/dbraw/zinc/44/57/91/1207445791.db2.gz YISYQVFQRLZHTN-MCMMXHMISA-N 2 2 331.363 2.483 10 0 EEAELP CC(=O)[C@@](C)(O)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933547005 1207785518 /nfs/dbraw/zinc/78/55/18/1207785518.db2.gz JAPOLUVLMPWQIP-IBGZPJMESA-N 2 2 330.472 2.414 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001490845291 1209178385 /nfs/dbraw/zinc/17/83/85/1209178385.db2.gz WOQZNDFCWIPPBI-INIZCTEOSA-N 2 2 326.444 2.342 10 0 EEAELP Cc1cnc([C@H](C)ONC(=[NH2+])[C@@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000779646974 1210706928 /nfs/dbraw/zinc/70/69/28/1210706928.db2.gz XIEQURRYBHEEGH-HOCLYGCPSA-N 2 2 344.415 2.443 10 0 EEAELP Cc1cnc([C@H](C)ONC(=[NH2+])[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000779646974 1210706931 /nfs/dbraw/zinc/70/69/31/1210706931.db2.gz XIEQURRYBHEEGH-HOCLYGCPSA-N 2 2 344.415 2.443 10 0 EEAELP C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1(C)C ZINC001413196183 1234684747 /nfs/dbraw/zinc/68/47/47/1234684747.db2.gz WWLMTDLYEXBUPN-HOTGVXAUSA-N 2 2 328.416 2.036 10 0 EEAELP c1cc(NC2CC[NH+](CCN3CCOCC3)CC2)[nH+]c(C2CC2)c1 ZINC000903267841 1240143456 /nfs/dbraw/zinc/14/34/56/1240143456.db2.gz GFPRZMXLOPVZIK-UHFFFAOYSA-N 2 2 330.476 2.168 10 0 EEAELP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000903457111 1240524233 /nfs/dbraw/zinc/52/42/33/1240524233.db2.gz NWNHQMKIBVOBRM-OSMZGAPFSA-N 2 2 328.865 2.228 10 0 EEAELP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000903457111 1240524241 /nfs/dbraw/zinc/52/42/41/1240524241.db2.gz NWNHQMKIBVOBRM-OSMZGAPFSA-N 2 2 328.865 2.228 10 0 EEAELP CCN(CC[NH2+]CCc1cccs1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001273468313 1278559158 /nfs/dbraw/zinc/55/91/58/1278559158.db2.gz RHIUKWZGUXTKDO-HNNXBMFYSA-N 2 2 346.500 2.188 10 0 EEAELP CC/C(C)=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCOC)CC1 ZINC001273598754 1280796987 /nfs/dbraw/zinc/79/69/87/1280796987.db2.gz HRLZTDSIGGWLQM-LJZLYOQWSA-N 2 2 349.519 2.129 10 0 EEAELP CC/C(C)=C/C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH+](CCOC)CC1 ZINC001273598754 1280796994 /nfs/dbraw/zinc/79/69/94/1280796994.db2.gz HRLZTDSIGGWLQM-LJZLYOQWSA-N 2 2 349.519 2.129 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H](C[N@H+](C)CCCF)C1 ZINC001490767837 1291706800 /nfs/dbraw/zinc/70/68/00/1291706800.db2.gz XDTVATORETXVFJ-HNNXBMFYSA-N 2 2 337.439 2.163 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCC[C@@H](C[N@@H+](C)CCCF)C1 ZINC001490767837 1291706805 /nfs/dbraw/zinc/70/68/05/1291706805.db2.gz XDTVATORETXVFJ-HNNXBMFYSA-N 2 2 337.439 2.163 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(Cl)sc1Cl ZINC000855414714 1293208338 /nfs/dbraw/zinc/20/83/38/1293208338.db2.gz JZVSWAJQKLFEQU-UHFFFAOYSA-N 2 2 339.292 2.063 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(Cl)sc1Cl ZINC000855414714 1293208340 /nfs/dbraw/zinc/20/83/40/1293208340.db2.gz JZVSWAJQKLFEQU-UHFFFAOYSA-N 2 2 339.292 2.063 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590979 1293575013 /nfs/dbraw/zinc/57/50/13/1293575013.db2.gz GCUVWQMHLAUJFJ-GUYCJALGSA-N 2 2 345.447 2.439 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590979 1293575015 /nfs/dbraw/zinc/57/50/15/1293575015.db2.gz GCUVWQMHLAUJFJ-GUYCJALGSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590979 1293575017 /nfs/dbraw/zinc/57/50/17/1293575017.db2.gz GCUVWQMHLAUJFJ-GUYCJALGSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)c3nc(C)no3)C2)ccn1 ZINC000856590979 1293575024 /nfs/dbraw/zinc/57/50/24/1293575024.db2.gz GCUVWQMHLAUJFJ-GUYCJALGSA-N 2 2 345.447 2.439 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC1CC1 ZINC000858126837 1294015214 /nfs/dbraw/zinc/01/52/14/1294015214.db2.gz LDDRQUNDEJSJIC-RDJZCZTQSA-N 2 2 332.444 2.189 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1OC1CC1 ZINC000858126837 1294015221 /nfs/dbraw/zinc/01/52/21/1294015221.db2.gz LDDRQUNDEJSJIC-RDJZCZTQSA-N 2 2 332.444 2.189 10 0 EEAELP CCON(CC)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000858223446 1294051642 /nfs/dbraw/zinc/05/16/42/1294051642.db2.gz SFDHYMFCVFDMEC-SJLPKXTDSA-N 2 2 333.476 2.429 10 0 EEAELP CCON(CC)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000858223446 1294051645 /nfs/dbraw/zinc/05/16/45/1294051645.db2.gz SFDHYMFCVFDMEC-SJLPKXTDSA-N 2 2 333.476 2.429 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(C)c[nH]3)C2)ccn1 ZINC000862422798 1295843895 /nfs/dbraw/zinc/84/38/95/1295843895.db2.gz KIKGEPRLRDUGSJ-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(C)c[nH]3)C2)ccn1 ZINC000862422798 1295843909 /nfs/dbraw/zinc/84/39/09/1295843909.db2.gz KIKGEPRLRDUGSJ-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc(C)c[nH]3)C2)ccn1 ZINC000862422798 1295843918 /nfs/dbraw/zinc/84/39/18/1295843918.db2.gz KIKGEPRLRDUGSJ-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc(C)c[nH]3)C2)ccn1 ZINC000862422798 1295843930 /nfs/dbraw/zinc/84/39/30/1295843930.db2.gz KIKGEPRLRDUGSJ-KRWDZBQOSA-N 2 2 329.448 2.218 10 0 EEAELP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000926861256 1296942824 /nfs/dbraw/zinc/94/28/24/1296942824.db2.gz YCNWAYQLRCPKOA-SZVBFZGTSA-N 2 2 342.487 2.440 10 0 EEAELP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000926861256 1296942827 /nfs/dbraw/zinc/94/28/27/1296942827.db2.gz YCNWAYQLRCPKOA-SZVBFZGTSA-N 2 2 342.487 2.440 10 0 EEAELP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)sc1C=O ZINC001626166379 1310918022 /nfs/dbraw/zinc/91/80/22/1310918022.db2.gz VLKUMFOLQDHZBQ-UHFFFAOYSA-N 2 2 349.500 2.157 10 0 EEAELP c1[nH+]cn(Cc2ccccc2)c1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000843136050 1315852199 /nfs/dbraw/zinc/85/21/99/1315852199.db2.gz NVIWZCLCIAGSQD-UHFFFAOYSA-N 2 2 337.427 2.447 10 0 EEAELP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264125452 1322634947 /nfs/dbraw/zinc/63/49/47/1322634947.db2.gz KCGBVSSHVNVJMV-OAHLLOKOSA-N 2 2 336.480 2.085 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001265697348 1323330257 /nfs/dbraw/zinc/33/02/57/1323330257.db2.gz RMWQTQHRTSBZMK-ROUUACIJSA-N 2 2 348.491 2.155 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001265697348 1323330262 /nfs/dbraw/zinc/33/02/62/1323330262.db2.gz RMWQTQHRTSBZMK-ROUUACIJSA-N 2 2 348.491 2.155 10 0 EEAELP COCCCC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001265737133 1323356856 /nfs/dbraw/zinc/35/68/56/1323356856.db2.gz AKYYABSYUWNRAN-UHFFFAOYSA-N 2 2 344.459 2.392 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265990326 1323548267 /nfs/dbraw/zinc/54/82/67/1323548267.db2.gz PKHJRXDNOOCBGU-HZPDHXFCSA-N 2 2 332.492 2.320 10 0 EEAELP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266105807 1323670133 /nfs/dbraw/zinc/67/01/33/1323670133.db2.gz STRZMFNYPZAGIJ-HNNXBMFYSA-N 2 2 334.464 2.239 10 0 EEAELP CC(C)=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001266105807 1323670145 /nfs/dbraw/zinc/67/01/45/1323670145.db2.gz STRZMFNYPZAGIJ-HNNXBMFYSA-N 2 2 334.464 2.239 10 0 EEAELP C[NH+](C)CCC(=O)NCC1=CC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001279628386 1323964648 /nfs/dbraw/zinc/96/46/48/1323964648.db2.gz HULVEGZZDQWULD-UHFFFAOYSA-N 2 2 337.414 2.165 10 0 EEAELP C[NH+](C)CCC(=O)NCC1=CC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001279628386 1323964653 /nfs/dbraw/zinc/96/46/53/1323964653.db2.gz HULVEGZZDQWULD-UHFFFAOYSA-N 2 2 337.414 2.165 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC2CCOCC2)CC1 ZINC001280375424 1324184738 /nfs/dbraw/zinc/18/47/38/1324184738.db2.gz ATNKXPGXDJLCRZ-QAQDUYKDSA-N 2 2 348.491 2.034 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001282487757 1325731618 /nfs/dbraw/zinc/73/16/18/1325731618.db2.gz YCPQMJVUCIPRGG-CMPLNLGQSA-N 2 2 347.290 2.281 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC001282487757 1325731616 /nfs/dbraw/zinc/73/16/16/1325731616.db2.gz YCPQMJVUCIPRGG-CMPLNLGQSA-N 2 2 347.290 2.281 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)C[C@H](C)[NH2+]CCOC(C)C)ccn12 ZINC001283612861 1326162583 /nfs/dbraw/zinc/16/25/83/1326162583.db2.gz SPNDTGNCTUOPTQ-AWEZNQCLSA-N 2 2 332.448 2.118 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCc2ccccc2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001283921262 1326320490 /nfs/dbraw/zinc/32/04/90/1326320490.db2.gz BOFDQMVVOCIVOO-WBVHZDCISA-N 2 2 326.444 2.164 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001284598713 1326624204 /nfs/dbraw/zinc/62/42/04/1326624204.db2.gz PHYCNCOKHIKVQS-JKSUJKDBSA-N 2 2 336.480 2.032 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001284598713 1326624208 /nfs/dbraw/zinc/62/42/08/1326624208.db2.gz PHYCNCOKHIKVQS-JKSUJKDBSA-N 2 2 336.480 2.032 10 0 EEAELP Cc1cc(C[NH+]2CC=C(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC001284929426 1326781104 /nfs/dbraw/zinc/78/11/04/1326781104.db2.gz XDIFVVCZNDEYFP-SFHVURJKSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1cc(C[NH+]2CC=C(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC001284929426 1326781107 /nfs/dbraw/zinc/78/11/07/1326781107.db2.gz XDIFVVCZNDEYFP-SFHVURJKSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1cc(C[N@H+]2CC=C(CNC(=O)CC[C@@H]3CCC[NH+]3C)CC2)no1 ZINC001284929426 1326781108 /nfs/dbraw/zinc/78/11/08/1326781108.db2.gz XDIFVVCZNDEYFP-SFHVURJKSA-N 2 2 346.475 2.106 10 0 EEAELP Cc1cc(C[N@@H+]2CC=C(CNC(=O)CC[C@@H]3CCC[NH+]3C)CC2)no1 ZINC001284929426 1326781110 /nfs/dbraw/zinc/78/11/10/1326781110.db2.gz XDIFVVCZNDEYFP-SFHVURJKSA-N 2 2 346.475 2.106 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1nccs1 ZINC001316835323 1331923078 /nfs/dbraw/zinc/92/30/78/1331923078.db2.gz NHHKVRYXJISTKQ-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1nccs1 ZINC001316835323 1331923082 /nfs/dbraw/zinc/92/30/82/1331923082.db2.gz NHHKVRYXJISTKQ-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)Cc1nccs1 ZINC001316835323 1331923085 /nfs/dbraw/zinc/92/30/85/1331923085.db2.gz NHHKVRYXJISTKQ-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)Cc1nccs1 ZINC001316835323 1331923088 /nfs/dbraw/zinc/92/30/88/1331923088.db2.gz NHHKVRYXJISTKQ-GJZGRUSLSA-N 2 2 336.505 2.098 10 0 EEAELP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001317604589 1332321802 /nfs/dbraw/zinc/32/18/02/1332321802.db2.gz CPLBBKDFQVEIGU-INIZCTEOSA-N 2 2 330.476 2.074 10 0 EEAELP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317841445 1332428833 /nfs/dbraw/zinc/42/88/33/1332428833.db2.gz CQASGALWIKLMME-IAGOWNOFSA-N 2 2 332.492 2.416 10 0 EEAELP CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001317841445 1332428835 /nfs/dbraw/zinc/42/88/35/1332428835.db2.gz CQASGALWIKLMME-IAGOWNOFSA-N 2 2 332.492 2.416 10 0 EEAELP CC(C)OCC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001319502686 1332712739 /nfs/dbraw/zinc/71/27/39/1332712739.db2.gz NVJCIBGDKVLEBF-INIZCTEOSA-N 2 2 344.459 2.347 10 0 EEAELP Cc1ccccc1CCC[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319561408 1332722128 /nfs/dbraw/zinc/72/21/28/1332722128.db2.gz WBJOAWLQVBOLPZ-QGZVFWFLSA-N 2 2 342.487 2.340 10 0 EEAELP Cc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001319789948 1332768987 /nfs/dbraw/zinc/76/89/87/1332768987.db2.gz BZYRDNUFRXYKQD-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP C[C@H](CC[NH2+]CCC(F)(F)F)NC(=O)c1cccc2[nH+]ccn21 ZINC001320489613 1332896003 /nfs/dbraw/zinc/89/60/03/1332896003.db2.gz GIXHGXSNWSRATM-LLVKDONJSA-N 2 2 328.338 2.385 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cc1c[nH+]cn1C)c1cc(F)ccc1F ZINC001321335930 1333076879 /nfs/dbraw/zinc/07/68/79/1333076879.db2.gz IMAUNZKOTVEYIY-SCOBNMCVSA-N 2 2 348.397 2.264 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)CCn1cc[nH+]c1 ZINC001322636928 1333299117 /nfs/dbraw/zinc/29/91/17/1333299117.db2.gz PKXPSGQONRPKLJ-UHFFFAOYSA-N 2 2 332.423 2.359 10 0 EEAELP CCOCCC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001326312370 1334065667 /nfs/dbraw/zinc/06/56/67/1334065667.db2.gz MCFZAMNFNLJDKM-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP CC(C)COCC[NH2+]CC1CC(NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001328886625 1334540955 /nfs/dbraw/zinc/54/09/55/1334540955.db2.gz SREFHWRTVDIXAS-UHFFFAOYSA-N 2 2 344.459 2.105 10 0 EEAELP O=C(N[C@H]1C[C@H](C[NH2+]CCOC2CCC2)C1)c1cccc2[nH+]ccn21 ZINC001330624302 1334878765 /nfs/dbraw/zinc/87/87/65/1334878765.db2.gz IFAKSXNCFXGXCG-SHTZXODSSA-N 2 2 342.443 2.001 10 0 EEAELP C[C@H](CCC[NH2+]Cc1cnns1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001330839853 1334912888 /nfs/dbraw/zinc/91/28/88/1334912888.db2.gz AMSLARIYFAUPEF-LLVKDONJSA-N 2 2 344.444 2.103 10 0 EEAELP CC(C)=CC[N@@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001331030973 1334949623 /nfs/dbraw/zinc/94/96/23/1334949623.db2.gz QAIFRDKZCDJIJP-INIZCTEOSA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001331030973 1334949624 /nfs/dbraw/zinc/94/96/24/1334949624.db2.gz QAIFRDKZCDJIJP-INIZCTEOSA-N 2 2 330.476 2.335 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1[nH]cc[nH+]1)[NH2+]CCCc1cccc(F)c1 ZINC001331592897 1335041821 /nfs/dbraw/zinc/04/18/21/1335041821.db2.gz GMGBTKSBKAGJOB-AWEZNQCLSA-N 2 2 332.423 2.161 10 0 EEAELP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001664023509 1355075755 /nfs/dbraw/zinc/07/57/55/1355075755.db2.gz PXLBJBRGRHNDGC-QGZVFWFLSA-N 2 2 340.471 2.256 10 0 EEAELP C[C@H](CC(=O)N[C@@]1(C)CC[N@H+](CCc2ccns2)C1)n1cc[nH+]c1 ZINC001500264121 1342121182 /nfs/dbraw/zinc/12/11/82/1342121182.db2.gz IEXDRRWGOAARQN-PBHICJAKSA-N 2 2 347.488 2.114 10 0 EEAELP C[C@H](CC(=O)N[C@@]1(C)CC[N@@H+](CCc2ccns2)C1)n1cc[nH+]c1 ZINC001500264121 1342121185 /nfs/dbraw/zinc/12/11/85/1342121185.db2.gz IEXDRRWGOAARQN-PBHICJAKSA-N 2 2 347.488 2.114 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001500294976 1342141699 /nfs/dbraw/zinc/14/16/99/1342141699.db2.gz FENOBOGHVDKYSY-IEBWSBKVSA-N 2 2 342.418 2.290 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001500294976 1342141702 /nfs/dbraw/zinc/14/17/02/1342141702.db2.gz FENOBOGHVDKYSY-IEBWSBKVSA-N 2 2 342.418 2.290 10 0 EEAELP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2[nH+]ccn2C)CC1 ZINC001566692064 1342604083 /nfs/dbraw/zinc/60/40/83/1342604083.db2.gz ZEEAWHLEZZYULD-MRXNPFEDSA-N 2 2 330.476 2.290 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001567519828 1342777088 /nfs/dbraw/zinc/77/70/88/1342777088.db2.gz BOLCYJLUGXGGDW-OAHLLOKOSA-N 2 2 346.862 2.347 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCCF)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001570675759 1343100963 /nfs/dbraw/zinc/10/09/63/1343100963.db2.gz PKCKFFHXGXXXOQ-UHFFFAOYSA-N 2 2 338.471 2.196 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ncccc1C ZINC001571324068 1343181407 /nfs/dbraw/zinc/18/14/07/1343181407.db2.gz XYGYUGGYVGXPIJ-AWEZNQCLSA-N 2 2 329.448 2.039 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCCC1CCOCC1 ZINC001676364132 1357141105 /nfs/dbraw/zinc/14/11/05/1357141105.db2.gz CAHQBRIIJKAQCJ-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCCC1CCOCC1 ZINC001676364132 1357141109 /nfs/dbraw/zinc/14/11/09/1357141109.db2.gz CAHQBRIIJKAQCJ-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@@H](C)C[NH2+]CCOCC(C)C)ccn12 ZINC001649451018 1353512161 /nfs/dbraw/zinc/51/21/61/1353512161.db2.gz QMSONTNNSGSCBS-HNNXBMFYSA-N 2 2 346.475 2.365 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001656139838 1354207528 /nfs/dbraw/zinc/20/75/28/1354207528.db2.gz MTKMRSPCIVKICX-JUAGGHJOSA-N 2 2 330.476 2.286 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001661793006 1354698013 /nfs/dbraw/zinc/69/80/13/1354698013.db2.gz KDBZULZZOIDTDI-IRXDYDNUSA-N 2 2 330.476 2.074 10 0 EEAELP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001661793987 1354698324 /nfs/dbraw/zinc/69/83/24/1354698324.db2.gz UTROSDYGBDBPGG-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001662635616 1354816845 /nfs/dbraw/zinc/81/68/45/1354816845.db2.gz QULCZXWHLRRYBY-MRXNPFEDSA-N 2 2 330.476 2.166 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001666032426 1355429080 /nfs/dbraw/zinc/42/90/80/1355429080.db2.gz RLUSVAQGODKWMO-HNNXBMFYSA-N 2 2 345.274 2.156 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)[C@H](C)C[NH2+]CCOCC3CC3)ccn12 ZINC001666903139 1355612915 /nfs/dbraw/zinc/61/29/15/1355612915.db2.gz QLUGFLGAQIRZCS-CQSZACIVSA-N 2 2 344.459 2.119 10 0 EEAELP C[C@H](CC[NH2+][C@@H](C)c1nc2ccccc2o1)NC(=O)Cn1cc[nH+]c1 ZINC001668333341 1355925477 /nfs/dbraw/zinc/92/54/77/1355925477.db2.gz YUSFIMADLXNUGN-KGLIPLIRSA-N 2 2 341.415 2.270 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCCCO1)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001668430644 1355939394 /nfs/dbraw/zinc/93/93/94/1355939394.db2.gz AHUPGBQJQHTQLJ-QGZVFWFLSA-N 2 2 344.459 2.264 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ncc(Cl)s1 ZINC001668888175 1356036756 /nfs/dbraw/zinc/03/67/56/1356036756.db2.gz VLNRPUZQQFBTIH-VSQXVHSFSA-N 2 2 342.896 2.043 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]Cc1ncc(Cl)s1 ZINC001668888175 1356036760 /nfs/dbraw/zinc/03/67/60/1356036760.db2.gz VLNRPUZQQFBTIH-VSQXVHSFSA-N 2 2 342.896 2.043 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1cccc(F)c1)[C@H]1CCc2[nH+]ccn2C1 ZINC001668893671 1356037930 /nfs/dbraw/zinc/03/79/30/1356037930.db2.gz NXPRDDWIZDOSDR-PYKQWIPUSA-N 2 2 342.418 2.047 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)CCc1[nH+]ccn1C ZINC001669622558 1356185236 /nfs/dbraw/zinc/18/52/36/1356185236.db2.gz NSEDQPDKAWGQMJ-UONOGXRCSA-N 2 2 342.434 2.273 10 0 EEAELP C[C@]1(C[NH2+]C/C=C/c2ccccc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001671790364 1356415298 /nfs/dbraw/zinc/41/52/98/1356415298.db2.gz QUVJDGXYEIGRHX-MUPIXQSSSA-N 2 2 338.455 2.494 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001672314840 1356499409 /nfs/dbraw/zinc/49/94/09/1356499409.db2.gz DLXRBZVBJLBFOP-WMZOPIPTSA-N 2 2 340.471 2.269 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001674242027 1356806165 /nfs/dbraw/zinc/80/61/65/1356806165.db2.gz IIKNIVRHSRWIQZ-STQMWFEESA-N 2 2 349.866 2.321 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001674242027 1356806167 /nfs/dbraw/zinc/80/61/67/1356806167.db2.gz IIKNIVRHSRWIQZ-STQMWFEESA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)OCCC[NH2+]C1CCC(N(C)C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001674804404 1356899048 /nfs/dbraw/zinc/89/90/48/1356899048.db2.gz GBGAKMLNDYPAIH-UHFFFAOYSA-N 2 2 336.480 2.127 10 0 EEAELP Cc1cnc(C[N@H+]2CCCC3(CN(C(=O)CCCC[NH+](C)C)C3)C2)o1 ZINC001675677487 1357034123 /nfs/dbraw/zinc/03/41/23/1357034123.db2.gz GRCRCOZVNIOIGU-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1cnc(C[N@@H+]2CCCC3(CN(C(=O)CCCC[NH+](C)C)C3)C2)o1 ZINC001675677487 1357034132 /nfs/dbraw/zinc/03/41/32/1357034132.db2.gz GRCRCOZVNIOIGU-UHFFFAOYSA-N 2 2 348.491 2.139 10 0 EEAELP CN(CC[N@H+](C)Cc1ccnc(Cl)c1)C(=O)CCCn1cc[nH+]c1 ZINC001699010768 1405226182 /nfs/dbraw/zinc/22/61/82/1405226182.db2.gz FKYGZBPVMLGSBT-UHFFFAOYSA-N 2 2 349.866 2.302 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccnc(Cl)c1)C(=O)CCCn1cc[nH+]c1 ZINC001699010768 1405226188 /nfs/dbraw/zinc/22/61/88/1405226188.db2.gz FKYGZBPVMLGSBT-UHFFFAOYSA-N 2 2 349.866 2.302 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001699139342 1405289589 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ZINC001436996186 1088734398 /nfs/dbraw/zinc/73/43/98/1088734398.db2.gz LULDIYNSATXSHR-IAGOWNOFSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001437161389 1089171031 /nfs/dbraw/zinc/17/10/31/1089171031.db2.gz CMNVHVYBXKVAMV-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP C[C@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001437418173 1089701615 /nfs/dbraw/zinc/70/16/15/1089701615.db2.gz LQWGNZLOKWNHHQ-OAHLLOKOSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1ncc(C[N@@H+](CCNC(=O)C2CC[NH+](C(C)C)CC2)C2CC2)o1 ZINC001437806638 1090396487 /nfs/dbraw/zinc/39/64/87/1090396487.db2.gz KIIIRCXEDAAILE-UHFFFAOYSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1ncc(C[N@H+](CCNC(=O)C2CC[NH+](C(C)C)CC2)C2CC2)o1 ZINC001437806638 1090396495 /nfs/dbraw/zinc/39/64/95/1090396495.db2.gz KIIIRCXEDAAILE-UHFFFAOYSA-N 2 2 348.491 2.184 10 0 EEAELP O=C(C[NH+]1CCCC1)NCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC001437821370 1090414677 /nfs/dbraw/zinc/41/46/77/1090414677.db2.gz 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/nfs/dbraw/zinc/23/50/98/1094235098.db2.gz LYHHIUBBPGKCEO-CYBMUJFWSA-N 2 2 335.477 2.100 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]C[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001449286885 1094236432 /nfs/dbraw/zinc/23/64/32/1094236432.db2.gz CRQIBUZMYDNKIX-SUMWQHHRSA-N 2 2 344.459 2.334 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001441035757 1094329726 /nfs/dbraw/zinc/32/97/26/1094329726.db2.gz XRLYKQNZSXURFB-BBRMVZONSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001441035757 1094329741 /nfs/dbraw/zinc/32/97/41/1094329741.db2.gz XRLYKQNZSXURFB-BBRMVZONSA-N 2 2 345.447 2.220 10 0 EEAELP CC[NH+]1CCC(C(=O)N2CCn3c[nH+]cc3C2)(c2ccccc2)CC1 ZINC001450719859 1095123086 /nfs/dbraw/zinc/12/30/86/1095123086.db2.gz DEUTZYUITQAWOX-UHFFFAOYSA-N 2 2 338.455 2.279 10 0 EEAELP CC(C)C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1)n1cc[nH+]c1 ZINC001441481699 1095151685 /nfs/dbraw/zinc/15/16/85/1095151685.db2.gz DNMMFWMHQJDRGJ-LZWOXQAQSA-N 2 2 347.488 2.364 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001441495615 1095176079 /nfs/dbraw/zinc/17/60/79/1095176079.db2.gz HBGPXTAPQDUEIZ-IYBDPMFKSA-N 2 2 348.397 2.068 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCc1ccccc1 ZINC001441549006 1095275624 /nfs/dbraw/zinc/27/56/24/1095275624.db2.gz ACCDVOQEUFOTIP-WMZOPIPTSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001441594878 1095432895 /nfs/dbraw/zinc/43/28/95/1095432895.db2.gz CYVFMEMBOBHJJO-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP CC[C@@H](C[NH2+]C1CCC(NC(=O)Cc2c[nH+]ccc2OC)CC1)OC ZINC001441738914 1095726780 /nfs/dbraw/zinc/72/67/80/1095726780.db2.gz SDPWDINBPAJVFP-JCYILVPMSA-N 2 2 349.475 2.075 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1ccc(F)cc1F ZINC001441881244 1096005900 /nfs/dbraw/zinc/00/59/00/1096005900.db2.gz UGFXOBYMZWPWCZ-TZMCWYRMSA-N 2 2 348.397 2.018 10 0 EEAELP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001442191328 1096465467 /nfs/dbraw/zinc/46/54/67/1096465467.db2.gz CQDQNDJPSGAGFQ-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001442191328 1096465472 /nfs/dbraw/zinc/46/54/72/1096465472.db2.gz CQDQNDJPSGAGFQ-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1cccc2F ZINC001442770985 1097145366 /nfs/dbraw/zinc/14/53/66/1097145366.db2.gz RBAZEMWMQWXYGA-QGZVFWFLSA-N 2 2 330.407 2.148 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1cccc2F ZINC001442770985 1097145370 /nfs/dbraw/zinc/14/53/70/1097145370.db2.gz RBAZEMWMQWXYGA-QGZVFWFLSA-N 2 2 330.407 2.148 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001442901720 1097305573 /nfs/dbraw/zinc/30/55/73/1097305573.db2.gz DXYQEDFUGHDVPI-KRWDZBQOSA-N 2 2 338.455 2.010 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC001442901720 1097305580 /nfs/dbraw/zinc/30/55/80/1097305580.db2.gz DXYQEDFUGHDVPI-KRWDZBQOSA-N 2 2 338.455 2.010 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001442912820 1097319960 /nfs/dbraw/zinc/31/99/60/1097319960.db2.gz YQSOJAZSTUKTAJ-QGZVFWFLSA-N 2 2 344.503 2.371 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001442912820 1097319966 /nfs/dbraw/zinc/31/99/66/1097319966.db2.gz YQSOJAZSTUKTAJ-QGZVFWFLSA-N 2 2 344.503 2.371 10 0 EEAELP Cc1nocc1C[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001443045526 1097455108 /nfs/dbraw/zinc/45/51/08/1097455108.db2.gz QKOJZTREZYEBKG-YJBOKZPZSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1nocc1C[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001443045526 1097455112 /nfs/dbraw/zinc/45/51/12/1097455112.db2.gz QKOJZTREZYEBKG-YJBOKZPZSA-N 2 2 348.491 2.184 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1C ZINC001443955484 1098474765 /nfs/dbraw/zinc/47/47/65/1098474765.db2.gz PIEDILWOVCJPAM-MSOLQXFVSA-N 2 2 340.471 2.439 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC001444033908 1098553750 /nfs/dbraw/zinc/55/37/50/1098553750.db2.gz MHFZVEOAXVNFAK-ZDUSSCGKSA-N 2 2 349.504 2.322 10 0 EEAELP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001444083153 1098612167 /nfs/dbraw/zinc/61/21/67/1098612167.db2.gz WQAKOEFVFHXPQW-GJZGRUSLSA-N 2 2 336.455 2.212 10 0 EEAELP Cc1cc(C[NH2+]C[C@@](C)(NC(=O)CCn2cc[nH+]c2)C2CC2)sn1 ZINC001444124244 1098658596 /nfs/dbraw/zinc/65/85/96/1098658596.db2.gz RQFDONHAJSHJOV-QGZVFWFLSA-N 2 2 347.488 2.113 10 0 EEAELP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001444340496 1098904881 /nfs/dbraw/zinc/90/48/81/1098904881.db2.gz AVMZGMWFRRPTOK-ZIAGYGMSSA-N 2 2 342.434 2.130 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1nc(C)c(C)o1)C1CC1 ZINC001480066328 1099597801 /nfs/dbraw/zinc/59/78/01/1099597801.db2.gz OOCZRXCLSVKNFK-IAGOWNOFSA-N 2 2 348.491 2.150 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1nc(C)c(C)o1)C1CC1 ZINC001480066328 1099597808 /nfs/dbraw/zinc/59/78/08/1099597808.db2.gz OOCZRXCLSVKNFK-IAGOWNOFSA-N 2 2 348.491 2.150 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480189794 1099790219 /nfs/dbraw/zinc/79/02/19/1099790219.db2.gz SDGRLUSZAGDEEJ-SJORKVTESA-N 2 2 348.491 2.082 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480189794 1099790226 /nfs/dbraw/zinc/79/02/26/1099790226.db2.gz SDGRLUSZAGDEEJ-SJORKVTESA-N 2 2 348.491 2.082 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001480217452 1099833503 /nfs/dbraw/zinc/83/35/03/1099833503.db2.gz UQSRZUGCOOAEJA-HDICACEKSA-N 2 2 326.444 2.143 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@H]1C[NH2+]CCCC1CCOCC1 ZINC001480364142 1100138188 /nfs/dbraw/zinc/13/81/88/1100138188.db2.gz KVZRAIGKLMLYFR-KRWDZBQOSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001480488931 1100298660 /nfs/dbraw/zinc/29/86/60/1100298660.db2.gz BSTANTHYEKCGPZ-CABCVRRESA-N 2 2 344.434 2.188 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC001480489244 1100300438 /nfs/dbraw/zinc/30/04/38/1100300438.db2.gz GAMYLOUVBUJWJC-WFASDCNBSA-N 2 2 332.473 2.110 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H](C)[NH2+]CCOCC(F)(F)F)c(C)[nH+]1 ZINC001480506584 1100332312 /nfs/dbraw/zinc/33/23/12/1100332312.db2.gz CXHUUFRENIYLIZ-GFCCVEGCSA-N 2 2 347.381 2.294 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001480551987 1100388078 /nfs/dbraw/zinc/38/80/78/1100388078.db2.gz AYPGUPGAXXYPSQ-KBPBESRZSA-N 2 2 339.443 2.364 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001480551987 1100388085 /nfs/dbraw/zinc/38/80/85/1100388085.db2.gz AYPGUPGAXXYPSQ-KBPBESRZSA-N 2 2 339.443 2.364 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001446542268 1101004624 /nfs/dbraw/zinc/00/46/24/1101004624.db2.gz TYXLHCKVCVIHLT-SFHVURJKSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001446542268 1101004634 /nfs/dbraw/zinc/00/46/34/1101004634.db2.gz TYXLHCKVCVIHLT-SFHVURJKSA-N 2 2 348.397 2.251 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@H](CC[NH2+]CC[C@H]2CCCO2)C1 ZINC001495362999 1101079203 /nfs/dbraw/zinc/07/92/03/1101079203.db2.gz KBUNIFOASQFWMK-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@H](CC[NH2+]CC[C@H]2CCCO2)C1 ZINC001495362999 1101079209 /nfs/dbraw/zinc/07/92/09/1101079209.db2.gz KBUNIFOASQFWMK-SJLPKXTDSA-N 2 2 348.491 2.130 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001446615793 1101119552 /nfs/dbraw/zinc/11/95/52/1101119552.db2.gz NYYITUKRHTYZEC-HXUWFJFHSA-N 2 2 340.471 2.474 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCC(F)(F)F ZINC001496575858 1101176287 /nfs/dbraw/zinc/17/62/87/1101176287.db2.gz SYDQSBNSWYWRBR-TZMCWYRMSA-N 2 2 346.397 2.128 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001495566921 1101277633 /nfs/dbraw/zinc/27/76/33/1101277633.db2.gz ATWKUZCQRYKQDQ-FUHWJXTLSA-N 2 2 332.492 2.462 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001495680854 1101426193 /nfs/dbraw/zinc/42/61/93/1101426193.db2.gz DGJFEKCKDCFWRS-IAOVAPTHSA-N 2 2 342.443 2.064 10 0 EEAELP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001495680854 1101426198 /nfs/dbraw/zinc/42/61/98/1101426198.db2.gz DGJFEKCKDCFWRS-IAOVAPTHSA-N 2 2 342.443 2.064 10 0 EEAELP CN(CC[N@H+](C)[C@H]1CCc2c1cc(F)cc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001496793410 1101478000 /nfs/dbraw/zinc/47/80/00/1101478000.db2.gz XTRXWYWDUOBLNB-KRWDZBQOSA-N 2 2 348.397 2.308 10 0 EEAELP CN(CC[N@@H+](C)[C@H]1CCc2c1cc(F)cc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001496793410 1101478003 /nfs/dbraw/zinc/47/80/03/1101478003.db2.gz XTRXWYWDUOBLNB-KRWDZBQOSA-N 2 2 348.397 2.308 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc2cccnc21)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497296782 1102272566 /nfs/dbraw/zinc/27/25/66/1102272566.db2.gz HHKHETZGQKPSMR-CQSZACIVSA-N 2 2 337.427 2.185 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC001447262283 1102328905 /nfs/dbraw/zinc/32/89/05/1102328905.db2.gz KLAYJYAOOGIPQN-OAGGEKHMSA-N 2 2 330.476 2.027 10 0 EEAELP CCN(CC[NH2+][C@H]1CCc2c1c(F)ccc2F)C(=O)Cn1cc[nH+]c1 ZINC001497506334 1102597383 /nfs/dbraw/zinc/59/73/83/1102597383.db2.gz OLKXBLWUVPEUAB-INIZCTEOSA-N 2 2 348.397 2.287 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1COC2(C[NH+](CC(C)C)C2)C1 ZINC001447406807 1102601795 /nfs/dbraw/zinc/60/17/95/1102601795.db2.gz ZXHXEGHAVRFYDS-CVEARBPZSA-N 2 2 348.491 2.012 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C)o1 ZINC001497614500 1102752566 /nfs/dbraw/zinc/75/25/66/1102752566.db2.gz JLHOTDJFVCDXJJ-LLYBFZRZSA-N 2 2 334.464 2.044 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@H+]2C)o1 ZINC001497614500 1102752578 /nfs/dbraw/zinc/75/25/78/1102752578.db2.gz JLHOTDJFVCDXJJ-LLYBFZRZSA-N 2 2 334.464 2.044 10 0 EEAELP CO[C@H](C[NH2+]C1(C)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1)C1CCCC1 ZINC001447560373 1102863574 /nfs/dbraw/zinc/86/35/74/1102863574.db2.gz HECHIMVAOCAYBC-MRXNPFEDSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001497764453 1103058943 /nfs/dbraw/zinc/05/89/43/1103058943.db2.gz JEPDNZYNZZQBTG-YYZONTRBSA-N 2 2 344.846 2.486 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001497839921 1103176055 /nfs/dbraw/zinc/17/60/55/1103176055.db2.gz KCVMNYHAEBDIQS-OCCSQVGLSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001497842126 1103180102 /nfs/dbraw/zinc/18/01/02/1103180102.db2.gz ZSHHJRYXTRGMRL-WBVHZDCISA-N 2 2 326.444 2.048 10 0 EEAELP CC[C@@H](C[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1)OC ZINC001447799361 1103359462 /nfs/dbraw/zinc/35/94/62/1103359462.db2.gz DZPSWECBVKVVBH-ZALBZXLWSA-N 2 2 330.432 2.086 10 0 EEAELP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001448081591 1103957135 /nfs/dbraw/zinc/95/71/35/1103957135.db2.gz QLLWCCNLWHFJJJ-FUHWJXTLSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001448081591 1103957144 /nfs/dbraw/zinc/95/71/44/1103957144.db2.gz QLLWCCNLWHFJJJ-FUHWJXTLSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001448081591 1103957153 /nfs/dbraw/zinc/95/71/53/1103957153.db2.gz QLLWCCNLWHFJJJ-FUHWJXTLSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001448081591 1103957161 /nfs/dbraw/zinc/95/71/61/1103957161.db2.gz QLLWCCNLWHFJJJ-FUHWJXTLSA-N 2 2 339.524 2.112 10 0 EEAELP CC(C)C[C@H](C)C[NH+]1CC(CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001494556146 1104147197 /nfs/dbraw/zinc/14/71/97/1104147197.db2.gz INKQFJVCJNYDKN-INIZCTEOSA-N 2 2 346.519 2.492 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001480655121 1106828066 /nfs/dbraw/zinc/82/80/66/1106828066.db2.gz YEJVMJXBWNQGJK-IAGOWNOFSA-N 2 2 332.492 2.320 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)c(C)o1 ZINC001498282116 1107209209 /nfs/dbraw/zinc/20/92/09/1107209209.db2.gz SLTOIYWEQWQZMT-SUMWQHHRSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)c(C)o1 ZINC001498282116 1107209219 /nfs/dbraw/zinc/20/92/19/1107209219.db2.gz SLTOIYWEQWQZMT-SUMWQHHRSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)o1 ZINC001498282116 1107209223 /nfs/dbraw/zinc/20/92/23/1107209223.db2.gz SLTOIYWEQWQZMT-SUMWQHHRSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)o1 ZINC001498282116 1107209231 /nfs/dbraw/zinc/20/92/31/1107209231.db2.gz SLTOIYWEQWQZMT-SUMWQHHRSA-N 2 2 336.480 2.101 10 0 EEAELP CCc1nocc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001480830559 1107221326 /nfs/dbraw/zinc/22/13/26/1107221326.db2.gz XKIYUIGLHIOEER-MRXNPFEDSA-N 2 2 345.447 2.064 10 0 EEAELP CCc1nocc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001480830559 1107221331 /nfs/dbraw/zinc/22/13/31/1107221331.db2.gz XKIYUIGLHIOEER-MRXNPFEDSA-N 2 2 345.447 2.064 10 0 EEAELP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC001498465500 1107584144 /nfs/dbraw/zinc/58/41/44/1107584144.db2.gz INHMVDDAXSQUTF-CQSZACIVSA-N 2 2 334.851 2.482 10 0 EEAELP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC001498465500 1107584154 /nfs/dbraw/zinc/58/41/54/1107584154.db2.gz INHMVDDAXSQUTF-CQSZACIVSA-N 2 2 334.851 2.482 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001498781707 1108092524 /nfs/dbraw/zinc/09/25/24/1108092524.db2.gz CVOQBMGOGDMPAH-HOTGVXAUSA-N 2 2 332.492 2.366 10 0 EEAELP CC[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC[C@@H]1[NH2+]CCOC ZINC001498891136 1108285795 /nfs/dbraw/zinc/28/57/95/1108285795.db2.gz ZIKIOYXEUJKMBE-ZFWWWQNUSA-N 2 2 330.432 2.040 10 0 EEAELP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001493599096 1108380967 /nfs/dbraw/zinc/38/09/67/1108380967.db2.gz XGZYECMZTZHINK-UHFFFAOYSA-N 2 2 327.388 2.030 10 0 EEAELP Cc1cccc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001493603073 1108388378 /nfs/dbraw/zinc/38/83/78/1108388378.db2.gz LMGSKHZQRXADSY-KRWDZBQOSA-N 2 2 326.444 2.002 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001493724943 1108572452 /nfs/dbraw/zinc/57/24/52/1108572452.db2.gz HUTDQYITIBIOSB-CQSZACIVSA-N 2 2 332.423 2.018 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]CCc1ccccc1F ZINC001493724943 1108572460 /nfs/dbraw/zinc/57/24/60/1108572460.db2.gz HUTDQYITIBIOSB-CQSZACIVSA-N 2 2 332.423 2.018 10 0 EEAELP CN(CC[NH2+][C@H]1CCc2ccccc21)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001493762547 1108637727 /nfs/dbraw/zinc/63/77/27/1108637727.db2.gz DQBISCPSGQHKJF-INIZCTEOSA-N 2 2 326.444 2.423 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CC[C@H](C)F ZINC001493865236 1108756390 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348.491 2.280 10 0 EEAELP O=C(NC[C@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001479462354 1110698196 /nfs/dbraw/zinc/69/81/96/1110698196.db2.gz WWHVVIWVHCOCCB-PEXGQUNESA-N 2 2 336.867 2.073 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC1([NH2+][C@@H](C)c2ccc(F)cc2F)CC1 ZINC001499448942 1112291357 /nfs/dbraw/zinc/29/13/57/1112291357.db2.gz XRDNWNYPFYBSEI-LBPRGKRZSA-N 2 2 348.397 2.469 10 0 EEAELP COCC[N@H+](CC=C(C)C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001499539541 1112353912 /nfs/dbraw/zinc/35/39/12/1112353912.db2.gz QDGWVWYBLVGYNG-UHFFFAOYSA-N 2 2 348.491 2.179 10 0 EEAELP COCC[N@@H+](CC=C(C)C)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001499539541 1112353915 /nfs/dbraw/zinc/35/39/15/1112353915.db2.gz QDGWVWYBLVGYNG-UHFFFAOYSA-N 2 2 348.491 2.179 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001499905755 1112535662 /nfs/dbraw/zinc/53/56/62/1112535662.db2.gz XWTSYPWVIKBXLN-SCQSPADBSA-N 2 2 330.476 2.382 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001501574142 1113388057 /nfs/dbraw/zinc/38/80/57/1113388057.db2.gz HSSCWHVDWUJUIX-GFCCVEGCSA-N 2 2 332.370 2.123 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]CCC(F)(F)F)C1 ZINC001501574142 1113388066 /nfs/dbraw/zinc/38/80/66/1113388066.db2.gz HSSCWHVDWUJUIX-GFCCVEGCSA-N 2 2 332.370 2.123 10 0 EEAELP O=C([C@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1C[NH2+]C/C=C\Cl ZINC001505405978 1113942026 /nfs/dbraw/zinc/94/20/26/1113942026.db2.gz HLPUIPHRAYPLDB-GWKCMRMTSA-N 2 2 336.867 2.169 10 0 EEAELP COc1ccc(F)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001505663871 1114117420 /nfs/dbraw/zinc/11/74/20/1114117420.db2.gz KGFRZFGSRCGECT-ZIAGYGMSSA-N 2 2 348.422 2.104 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC001505769708 1114180689 /nfs/dbraw/zinc/18/06/89/1114180689.db2.gz VIXOJVNLBGDKTB-ZIAGYGMSSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1(C[NH2+]C[C@@H]2CCOC2)CCCCC1 ZINC001506520700 1114669891 /nfs/dbraw/zinc/66/98/91/1114669891.db2.gz ITPNPJTXNGHHQI-CVEARBPZSA-N 2 2 348.491 2.034 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1(C[NH2+]C[C@@H]2CCOC2)CCCCC1 ZINC001506520700 1114669893 /nfs/dbraw/zinc/66/98/93/1114669893.db2.gz ITPNPJTXNGHHQI-CVEARBPZSA-N 2 2 348.491 2.034 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC4CCCC4)C[C@H]32)c[nH+]1 ZINC001506789455 1114883402 /nfs/dbraw/zinc/88/34/02/1114883402.db2.gz CYRMNOPOPNCKQD-NNZMDNLPSA-N 2 2 344.503 2.411 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2[C@H]3C[N@H+](CC4CCCC4)C[C@H]32)c[nH+]1 ZINC001506789455 1114883407 /nfs/dbraw/zinc/88/34/07/1114883407.db2.gz CYRMNOPOPNCKQD-NNZMDNLPSA-N 2 2 344.503 2.411 10 0 EEAELP CN(C(=O)[C@@H]1CCc2c[nH+]cn2C1)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001507014360 1115054560 /nfs/dbraw/zinc/05/45/60/1115054560.db2.gz CVWBIDIZBYDTHP-SJLPKXTDSA-N 2 2 330.476 2.072 10 0 EEAELP Cc1conc1C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001507027578 1115065308 /nfs/dbraw/zinc/06/53/08/1115065308.db2.gz QUMQXGFHNVXYDX-YOEHRIQHSA-N 2 2 345.447 2.157 10 0 EEAELP CN(C[C@@H](O)C[N@H+](C)CCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001507674617 1115318351 /nfs/dbraw/zinc/31/83/51/1115318351.db2.gz GRTCPOZAAUGUQG-HNNXBMFYSA-N 2 2 346.475 2.135 10 0 EEAELP CN(C[C@@H](O)C[N@@H+](C)CCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001507674617 1115318354 /nfs/dbraw/zinc/31/83/54/1115318354.db2.gz GRTCPOZAAUGUQG-HNNXBMFYSA-N 2 2 346.475 2.135 10 0 EEAELP CC[C@@H](C[NH+]1CCC(C2(NC(=O)CCn3cc[nH+]c3)CC2)CC1)OC ZINC001508162373 1115431556 /nfs/dbraw/zinc/43/15/56/1115431556.db2.gz VVYSSMOBWTZMOZ-KRWDZBQOSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1nnc(N2CC[NH+](C(C)C)CC2)n1CCCNc1cccc[nH+]1 ZINC001543309727 1124127334 /nfs/dbraw/zinc/12/73/34/1124127334.db2.gz YMTSWNLOYHTAOU-UHFFFAOYSA-N 2 2 343.479 2.014 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CCC2CCOCC2)CCCC1 ZINC001568007638 1124227849 /nfs/dbraw/zinc/22/78/49/1124227849.db2.gz BBBQKLFFMHCIJR-UHFFFAOYSA-N 2 2 348.491 2.096 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001568393527 1124463524 /nfs/dbraw/zinc/46/35/24/1124463524.db2.gz NFMWHXOTTSMWTE-GOSISDBHSA-N 2 2 341.459 2.217 10 0 EEAELP CN(CCC[NH2+]Cc1ccccc1F)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001569216624 1125171860 /nfs/dbraw/zinc/17/18/60/1125171860.db2.gz QPGHLVMCPBMJIK-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)c2cccc3[nH+]ccn32)sn1 ZINC001569223040 1125176121 /nfs/dbraw/zinc/17/61/21/1125176121.db2.gz VCHDCGJCYIIAHO-UHFFFAOYSA-N 2 2 343.456 2.351 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001569247691 1125193320 /nfs/dbraw/zinc/19/33/20/1125193320.db2.gz YTKNRMHWPNXJCH-CQSZACIVSA-N 2 2 343.475 2.238 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001569247691 1125193325 /nfs/dbraw/zinc/19/33/25/1125193325.db2.gz YTKNRMHWPNXJCH-CQSZACIVSA-N 2 2 343.475 2.238 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418777858 529898306 /nfs/dbraw/zinc/89/83/06/529898306.db2.gz YXGSWFGCRXIOJH-UHFFFAOYSA-N 2 2 345.491 2.068 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000152346553 282344722 /nfs/dbraw/zinc/34/47/22/282344722.db2.gz KMYUHTSZXFOWIF-KGLIPLIRSA-N 2 2 335.414 2.061 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000152346553 282344723 /nfs/dbraw/zinc/34/47/23/282344723.db2.gz KMYUHTSZXFOWIF-KGLIPLIRSA-N 2 2 335.414 2.061 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152346553 282344726 /nfs/dbraw/zinc/34/47/26/282344726.db2.gz KMYUHTSZXFOWIF-KGLIPLIRSA-N 2 2 335.414 2.061 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152346553 282344728 /nfs/dbraw/zinc/34/47/28/282344728.db2.gz KMYUHTSZXFOWIF-KGLIPLIRSA-N 2 2 335.414 2.061 10 0 EEAELP O[C@H](CN[C@H](c1[nH]cc[nH+]1)c1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000187820385 236309370 /nfs/dbraw/zinc/30/93/70/236309370.db2.gz XIIVBQLZTMDNDE-SJORKVTESA-N 2 2 332.423 2.075 10 0 EEAELP Clc1cccc(N2CC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422832360 240251940 /nfs/dbraw/zinc/25/19/40/240251940.db2.gz FWLCYKAXVIGECM-SZMVWBNQSA-N 2 2 335.879 2.275 10 0 EEAELP COc1ccc([C@H](CN[C@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1OC ZINC000422985693 240319165 /nfs/dbraw/zinc/31/91/65/240319165.db2.gz FVERGQLJVHORND-DYVFJYSZSA-N 2 2 344.459 2.465 10 0 EEAELP Cc1c([C@H](C)[NH2+]CCC[NH3+])nnn1-c1cccc(Br)c1 ZINC000423177219 240393931 /nfs/dbraw/zinc/39/39/31/240393931.db2.gz ILUDOBZPBYDFNC-JTQLQIEISA-N 2 2 338.253 2.338 10 0 EEAELP O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000426820515 241343964 /nfs/dbraw/zinc/34/39/64/241343964.db2.gz ZLODRZKZWLMPEN-WOJBJXKFSA-N 2 2 341.499 2.453 10 0 EEAELP Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc(-c2ccncc2)[nH+]1 ZINC000078404918 217048697 /nfs/dbraw/zinc/04/86/97/217048697.db2.gz UWRHFRNUZXPDOV-MRXNPFEDSA-N 2 2 339.443 2.006 10 0 EEAELP Brc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422775883 532972801 /nfs/dbraw/zinc/97/28/01/532972801.db2.gz BQHUUOTXIRLYAX-HUUCEWRRSA-N 2 2 325.250 2.306 10 0 EEAELP C[NH2+]C(C)(C)CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000270531654 256144982 /nfs/dbraw/zinc/14/49/82/256144982.db2.gz UYMZKMWRIKNGPN-GFCCVEGCSA-N 2 2 339.509 2.495 10 0 EEAELP C[NH2+]C(C)(C)CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000270531654 256144984 /nfs/dbraw/zinc/14/49/84/256144984.db2.gz UYMZKMWRIKNGPN-GFCCVEGCSA-N 2 2 339.509 2.495 10 0 EEAELP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)c1cccnc1 ZINC000163782687 533244912 /nfs/dbraw/zinc/24/49/12/533244912.db2.gz JPUHZBXANJHRSR-BEFAXECRSA-N 2 2 349.438 2.074 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173594757 152180284 /nfs/dbraw/zinc/18/02/84/152180284.db2.gz XQTTZMOPPDOADL-KRWDZBQOSA-N 2 2 344.503 2.499 10 0 EEAELP CN(C)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173594757 152180290 /nfs/dbraw/zinc/18/02/90/152180290.db2.gz XQTTZMOPPDOADL-KRWDZBQOSA-N 2 2 344.503 2.499 10 0 EEAELP Nc1ccc(F)c(NC(=O)CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374211087 154004742 /nfs/dbraw/zinc/00/47/42/154004742.db2.gz XPQJDDFBZVZBBH-UHFFFAOYSA-N 2 2 331.395 2.339 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000109329247 159349007 /nfs/dbraw/zinc/34/90/07/159349007.db2.gz IXPATEZNVDTPGH-GOSISDBHSA-N 2 2 338.455 2.480 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2ncccn2)CC1 ZINC000191878865 160163018 /nfs/dbraw/zinc/16/30/18/160163018.db2.gz GKXMFVZTCKMDJJ-UHFFFAOYSA-N 2 2 334.427 2.293 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649583 160184937 /nfs/dbraw/zinc/18/49/37/160184937.db2.gz YGQJDJATZAVJLQ-YESZJQIVSA-N 2 2 342.487 2.107 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193649583 160184938 /nfs/dbraw/zinc/18/49/38/160184938.db2.gz YGQJDJATZAVJLQ-YESZJQIVSA-N 2 2 342.487 2.107 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193649583 160184939 /nfs/dbraw/zinc/18/49/39/160184939.db2.gz YGQJDJATZAVJLQ-YESZJQIVSA-N 2 2 342.487 2.107 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193649583 160184940 /nfs/dbraw/zinc/18/49/40/160184940.db2.gz YGQJDJATZAVJLQ-YESZJQIVSA-N 2 2 342.487 2.107 10 0 EEAELP CC(C)c1nnc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000245576435 160243494 /nfs/dbraw/zinc/24/34/94/160243494.db2.gz HVWNNJVXCZERAE-QWHCGFSZSA-N 2 2 348.476 2.380 10 0 EEAELP CC(C)c1nnc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000245576435 160243495 /nfs/dbraw/zinc/24/34/95/160243495.db2.gz HVWNNJVXCZERAE-QWHCGFSZSA-N 2 2 348.476 2.380 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000246249438 160269952 /nfs/dbraw/zinc/26/99/52/160269952.db2.gz JCVQNZRBVSXJON-QFBILLFUSA-N 2 2 338.455 2.351 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000246249438 160269953 /nfs/dbraw/zinc/26/99/53/160269953.db2.gz JCVQNZRBVSXJON-QFBILLFUSA-N 2 2 338.455 2.351 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248174392 160340015 /nfs/dbraw/zinc/34/00/15/160340015.db2.gz VIORCEQNSUQNSF-SJLPKXTDSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248174392 160340016 /nfs/dbraw/zinc/34/00/16/160340016.db2.gz VIORCEQNSUQNSF-SJLPKXTDSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248174392 160340018 /nfs/dbraw/zinc/34/00/18/160340018.db2.gz VIORCEQNSUQNSF-SJLPKXTDSA-N 2 2 333.451 2.200 10 0 EEAELP CN(Cc1ccccc1F)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248174392 160340019 /nfs/dbraw/zinc/34/00/19/160340019.db2.gz VIORCEQNSUQNSF-SJLPKXTDSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H]1C[N@H+](CCc2cccc(F)c2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343722407 161162216 /nfs/dbraw/zinc/16/22/16/161162216.db2.gz FEOIICNZJNTJJI-MAUKXSAKSA-N 2 2 337.458 2.465 10 0 EEAELP C[C@H]1C[N@@H+](CCc2cccc(F)c2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343722407 161162217 /nfs/dbraw/zinc/16/22/17/161162217.db2.gz FEOIICNZJNTJJI-MAUKXSAKSA-N 2 2 337.458 2.465 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[N@@H+]1C ZINC000352150227 162086422 /nfs/dbraw/zinc/08/64/22/162086422.db2.gz WJCQOKMJNDCMEI-HOTGVXAUSA-N 2 2 326.444 2.278 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[N@H+]1C ZINC000352150227 162086424 /nfs/dbraw/zinc/08/64/24/162086424.db2.gz WJCQOKMJNDCMEI-HOTGVXAUSA-N 2 2 326.444 2.278 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ncnn2CC)CC1 ZINC000355586790 163240470 /nfs/dbraw/zinc/24/04/70/163240470.db2.gz SDCBCOVEMGPBHS-UHFFFAOYSA-N 2 2 342.491 2.120 10 0 EEAELP CCN(C(=O)[C@H](C)[NH3+])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364852424 165294276 /nfs/dbraw/zinc/29/42/76/165294276.db2.gz ULCFHQHZJUZSPL-AWEZNQCLSA-N 2 2 333.480 2.073 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423749518 287143544 /nfs/dbraw/zinc/14/35/44/287143544.db2.gz VWIJYVKNDSNWQO-RVKKMQEKSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000369993939 166371967 /nfs/dbraw/zinc/37/19/67/166371967.db2.gz FZXRUEWLKYUODF-KRWDZBQOSA-N 2 2 326.444 2.396 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC000369993939 166371971 /nfs/dbraw/zinc/37/19/71/166371971.db2.gz FZXRUEWLKYUODF-KRWDZBQOSA-N 2 2 326.444 2.396 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)CC2 ZINC000376281775 167296571 /nfs/dbraw/zinc/29/65/71/167296571.db2.gz NMPFJKWOHKCPNX-CVEARBPZSA-N 2 2 345.491 2.370 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)[C@H]1CCC[N@H+](C3CCC3)C1)CC2 ZINC000376281775 167296576 /nfs/dbraw/zinc/29/65/76/167296576.db2.gz NMPFJKWOHKCPNX-CVEARBPZSA-N 2 2 345.491 2.370 10 0 EEAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171904620 227352174 /nfs/dbraw/zinc/35/21/74/227352174.db2.gz MCWSTYPMFRRHLJ-HNNXBMFYSA-N 2 2 343.406 2.001 10 0 EEAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171904620 227352179 /nfs/dbraw/zinc/35/21/79/227352179.db2.gz MCWSTYPMFRRHLJ-HNNXBMFYSA-N 2 2 343.406 2.001 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2c(Br)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000278441533 269232162 /nfs/dbraw/zinc/23/21/62/269232162.db2.gz LSNCRYBRPWQRMI-DGCLKSJQSA-N 2 2 338.253 2.462 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2c(Br)cnn2C)C[C@H]1n1cc[nH+]c1 ZINC000278441533 269232163 /nfs/dbraw/zinc/23/21/63/269232163.db2.gz LSNCRYBRPWQRMI-DGCLKSJQSA-N 2 2 338.253 2.462 10 0 EEAELP CC(C)[N@H+](C)Cc1ccccc1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000275844411 274268313 /nfs/dbraw/zinc/26/83/13/274268313.db2.gz AAGSFKHWGWYLNT-UHFFFAOYSA-N 2 2 339.447 2.398 10 0 EEAELP CC(C)[N@@H+](C)Cc1ccccc1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000275844411 274268316 /nfs/dbraw/zinc/26/83/16/274268316.db2.gz AAGSFKHWGWYLNT-UHFFFAOYSA-N 2 2 339.447 2.398 10 0 EEAELP Cc1nc2[nH]ccc2c(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000339057909 282005318 /nfs/dbraw/zinc/00/53/18/282005318.db2.gz IAQKFELLEWAUQD-OAHLLOKOSA-N 2 2 329.448 2.348 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000293158512 293140248 /nfs/dbraw/zinc/14/02/48/293140248.db2.gz FKJZLAOAONXYJP-RBUKOAKNSA-N 2 2 326.444 2.167 10 0 EEAELP CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(-n4cc[nH+]c4)cc3)[C@H]2C1 ZINC000293158512 293140252 /nfs/dbraw/zinc/14/02/52/293140252.db2.gz FKJZLAOAONXYJP-RBUKOAKNSA-N 2 2 326.444 2.167 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CCn1cccn1 ZINC000344651817 312269986 /nfs/dbraw/zinc/26/99/86/312269986.db2.gz GFKUONWQGBAPGB-CQSZACIVSA-N 2 2 338.415 2.232 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CCn1cccn1 ZINC000344651817 312269988 /nfs/dbraw/zinc/26/99/88/312269988.db2.gz GFKUONWQGBAPGB-CQSZACIVSA-N 2 2 338.415 2.232 10 0 EEAELP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000414740295 313073906 /nfs/dbraw/zinc/07/39/06/313073906.db2.gz JVDSRGXHNWCHCB-LJQANCHMSA-N 4 2 338.584 2.488 10 0 EEAELP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000414740295 313073908 /nfs/dbraw/zinc/07/39/08/313073908.db2.gz JVDSRGXHNWCHCB-LJQANCHMSA-N 4 2 338.584 2.488 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417008950 313393313 /nfs/dbraw/zinc/39/33/13/313393313.db2.gz JMKCBIHMEBQRJT-KRWDZBQOSA-N 2 2 341.459 2.427 10 0 EEAELP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417063027 313410767 /nfs/dbraw/zinc/41/07/67/313410767.db2.gz DHSDPMANUFJADZ-QZTJIDSGSA-N 2 2 341.459 2.248 10 0 EEAELP [NH3+]C1(CNC(=O)NCc2[nH+]ccn2CC(F)(F)F)CCCCCC1 ZINC000417465926 313519298 /nfs/dbraw/zinc/51/92/98/313519298.db2.gz IWWVWOMHONHTKQ-UHFFFAOYSA-N 2 2 347.385 2.296 10 0 EEAELP CC(C)[N@@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H]1CCC(=O)N1 ZINC000420981024 314013626 /nfs/dbraw/zinc/01/36/26/314013626.db2.gz XSEVFYZILBTFCC-IBGZPJMESA-N 2 2 345.487 2.008 10 0 EEAELP CC(C)[N@H+](Cc1cccc(C[NH+]2CCOCC2)c1)C[C@@H]1CCC(=O)N1 ZINC000420981024 314013629 /nfs/dbraw/zinc/01/36/29/314013629.db2.gz XSEVFYZILBTFCC-IBGZPJMESA-N 2 2 345.487 2.008 10 0 EEAELP Cc1c(Cl)c(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)nn1C ZINC000421334244 314087058 /nfs/dbraw/zinc/08/70/58/314087058.db2.gz PQVYDBOGSWSARG-UHFFFAOYSA-N 2 2 334.855 2.141 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCS(=O)(=O)C2)c(C)c1 ZINC000540395058 318073641 /nfs/dbraw/zinc/07/36/41/318073641.db2.gz HNLJIQPXZBOABJ-SJLPKXTDSA-N 2 2 347.484 2.408 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000555238656 318585598 /nfs/dbraw/zinc/58/55/98/318585598.db2.gz GQCSZPSLGVFVDV-CQSZACIVSA-N 2 2 340.349 2.321 10 0 EEAELP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000563978404 319061253 /nfs/dbraw/zinc/06/12/53/319061253.db2.gz FYFFYBWXEJUORK-WYGOJCFESA-N 2 2 345.531 2.489 10 0 EEAELP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000563978404 319061254 /nfs/dbraw/zinc/06/12/54/319061254.db2.gz FYFFYBWXEJUORK-WYGOJCFESA-N 2 2 345.531 2.489 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000563978404 319061256 /nfs/dbraw/zinc/06/12/56/319061256.db2.gz FYFFYBWXEJUORK-WYGOJCFESA-N 2 2 345.531 2.489 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC34CC5CC(CC(C5)C3)C4)C2)C1 ZINC000563978404 319061257 /nfs/dbraw/zinc/06/12/57/319061257.db2.gz FYFFYBWXEJUORK-WYGOJCFESA-N 2 2 345.531 2.489 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000564941049 319130666 /nfs/dbraw/zinc/13/06/66/319130666.db2.gz YJRJMJYIGGWGHL-VNHYZAJKSA-N 2 2 329.366 2.093 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000564941049 319130667 /nfs/dbraw/zinc/13/06/67/319130667.db2.gz YJRJMJYIGGWGHL-VNHYZAJKSA-N 2 2 329.366 2.093 10 0 EEAELP CC[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000565117673 319150809 /nfs/dbraw/zinc/15/08/09/319150809.db2.gz SLUTWHYJXOLJIE-FZKQIMNGSA-N 2 2 328.416 2.251 10 0 EEAELP CC[C@@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000565117673 319150812 /nfs/dbraw/zinc/15/08/12/319150812.db2.gz SLUTWHYJXOLJIE-FZKQIMNGSA-N 2 2 328.416 2.251 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000565174171 319156762 /nfs/dbraw/zinc/15/67/62/319156762.db2.gz RFXZQLLKYZIRBO-OAHLLOKOSA-N 2 2 341.459 2.369 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000565174171 319156765 /nfs/dbraw/zinc/15/67/65/319156765.db2.gz RFXZQLLKYZIRBO-OAHLLOKOSA-N 2 2 341.459 2.369 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)c1 ZINC000566438273 319287577 /nfs/dbraw/zinc/28/75/77/319287577.db2.gz YQJKYQHLSRDRFO-INIZCTEOSA-N 2 2 345.487 2.242 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000566917759 319332811 /nfs/dbraw/zinc/33/28/11/319332811.db2.gz NOYGNGFZAFAOJW-LJQANCHMSA-N 2 2 334.423 2.429 10 0 EEAELP COc1ccc(C[NH2+]CCC[NH+]2CCC2)c(Br)c1O ZINC000578337598 320308986 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EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1ccccc1OC ZINC000430041063 467393926 /nfs/dbraw/zinc/39/39/26/467393926.db2.gz TXVOQOLARQHACC-MRXNPFEDSA-N 2 2 344.459 2.081 10 0 EEAELP CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000430278235 467417206 /nfs/dbraw/zinc/41/72/06/467417206.db2.gz ICFKOHLHRJTAIL-MRXNPFEDSA-N 2 2 343.471 2.355 10 0 EEAELP CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000430278235 467417211 /nfs/dbraw/zinc/41/72/11/467417211.db2.gz ICFKOHLHRJTAIL-MRXNPFEDSA-N 2 2 343.471 2.355 10 0 EEAELP Cn1cc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000393320130 467429603 /nfs/dbraw/zinc/42/96/03/467429603.db2.gz GTHJZUMOROCZOA-RAIGVLPGSA-N 2 2 327.270 2.193 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453265891 467473804 /nfs/dbraw/zinc/47/38/04/467473804.db2.gz OBCQKEFZWDBESS-HKUYNNGSSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453265891 467473807 /nfs/dbraw/zinc/47/38/07/467473807.db2.gz OBCQKEFZWDBESS-HKUYNNGSSA-N 3 2 349.519 2.124 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCCC(C)(F)F)([NH+]2CCCCC2)CC1 ZINC000455130518 467636386 /nfs/dbraw/zinc/63/63/86/467636386.db2.gz CBRYEXFOFCNMHF-UHFFFAOYSA-N 2 2 346.466 2.281 10 0 EEAELP COc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c1OC(F)F ZINC000449398306 467638614 /nfs/dbraw/zinc/63/86/14/467638614.db2.gz XPQPYISUQYOHDU-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP COc1cccc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c1OC(F)F ZINC000449398306 467638617 /nfs/dbraw/zinc/63/86/17/467638617.db2.gz XPQPYISUQYOHDU-CQSZACIVSA-N 2 2 344.402 2.233 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000449395752 467639076 /nfs/dbraw/zinc/63/90/76/467639076.db2.gz QPZSCHFVRYKLCI-CQSZACIVSA-N 2 2 340.851 2.048 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000449395752 467639078 /nfs/dbraw/zinc/63/90/78/467639078.db2.gz QPZSCHFVRYKLCI-CQSZACIVSA-N 2 2 340.851 2.048 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1 ZINC000457660150 467672062 /nfs/dbraw/zinc/67/20/62/467672062.db2.gz HDQVDBRCTIVVPM-UHFFFAOYSA-N 2 2 341.459 2.058 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000528918144 467777422 /nfs/dbraw/zinc/77/74/22/467777422.db2.gz IQMLJALIEYAFCC-RDJZCZTQSA-N 2 2 332.835 2.407 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000528918144 467777426 /nfs/dbraw/zinc/77/74/26/467777426.db2.gz IQMLJALIEYAFCC-RDJZCZTQSA-N 2 2 332.835 2.407 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1 ZINC000458355639 467814164 /nfs/dbraw/zinc/81/41/64/467814164.db2.gz BEFMKCOKJJUTQW-SFHVURJKSA-N 2 2 347.507 2.307 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c1 ZINC000458355639 467814168 /nfs/dbraw/zinc/81/41/68/467814168.db2.gz BEFMKCOKJJUTQW-SFHVURJKSA-N 2 2 347.507 2.307 10 0 EEAELP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459655335 467962694 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Cc1nc(C(F)(F)F)ccc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767745 469799352 /nfs/dbraw/zinc/79/93/52/469799352.db2.gz AXOFKDUORMVZPQ-UHFFFAOYSA-N 2 2 346.397 2.022 10 0 EEAELP C[NH+](C)CCOC1CCN(c2[nH+]c(C3CC3)nc3[nH]ccc32)CC1 ZINC000631116755 470073026 /nfs/dbraw/zinc/07/30/26/470073026.db2.gz TWZNEPGRADOUHZ-UHFFFAOYSA-N 2 2 329.448 2.382 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CN(c4ccncn4)C3)CC23CC3)cc1 ZINC000631256947 470104029 /nfs/dbraw/zinc/10/40/29/470104029.db2.gz UNXWEZFQAOKLER-GOSISDBHSA-N 2 2 349.482 2.452 10 0 EEAELP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CN(c4ccncn4)C3)CC23CC3)cc1 ZINC000631256947 470104032 /nfs/dbraw/zinc/10/40/32/470104032.db2.gz UNXWEZFQAOKLER-GOSISDBHSA-N 2 2 349.482 2.452 10 0 EEAELP CC(C)([NH3+])c1noc(C[NH+]2CCC(Oc3ccccc3F)CC2)n1 ZINC000631836372 470186555 /nfs/dbraw/zinc/18/65/55/470186555.db2.gz WJFOCIWTZALVEJ-UHFFFAOYSA-N 2 2 334.395 2.446 10 0 EEAELP CCC1([NH+](C)C)CCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)CC1 ZINC000632864571 470279639 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329.379 2.381 10 0 EEAELP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000636989039 470552079 /nfs/dbraw/zinc/55/20/79/470552079.db2.gz QAVPONWOXZNBPJ-HZPDHXFCSA-N 2 2 345.491 2.251 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1 ZINC000649587806 470634599 /nfs/dbraw/zinc/63/45/99/470634599.db2.gz SKVFAFWSYCQXPW-APWZRJJASA-N 2 2 334.508 2.446 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)[C@H](C)C1 ZINC000649587806 470634604 /nfs/dbraw/zinc/63/46/04/470634604.db2.gz SKVFAFWSYCQXPW-APWZRJJASA-N 2 2 334.508 2.446 10 0 EEAELP COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635754033 470741146 /nfs/dbraw/zinc/74/11/46/470741146.db2.gz UFMOYCRNWGSAJB-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635754033 470741149 /nfs/dbraw/zinc/74/11/49/470741149.db2.gz UFMOYCRNWGSAJB-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635754033 470741151 /nfs/dbraw/zinc/74/11/51/470741151.db2.gz UFMOYCRNWGSAJB-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP COCC[N@@H+](C)CCCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635754033 470741154 /nfs/dbraw/zinc/74/11/54/470741154.db2.gz UFMOYCRNWGSAJB-IAGOWNOFSA-N 2 2 348.491 2.110 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000650179050 470815532 /nfs/dbraw/zinc/81/55/32/470815532.db2.gz RIYUBEVQAGKXMV-UHFFFAOYSA-N 2 2 347.503 2.227 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000650179050 470815538 /nfs/dbraw/zinc/81/55/38/470815538.db2.gz RIYUBEVQAGKXMV-UHFFFAOYSA-N 2 2 347.503 2.227 10 0 EEAELP CC1([NH3+])CC[NH+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000647925789 471018179 /nfs/dbraw/zinc/01/81/79/471018179.db2.gz XSNSVPYHZUZPNZ-UHFFFAOYSA-N 2 2 345.487 2.007 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccsc1 ZINC000651080548 471044816 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COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC1 ZINC000658342201 471290279 /nfs/dbraw/zinc/29/02/79/471290279.db2.gz LRPQOHOJEAYRHQ-PKOBYXMFSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)C1CCOCC1 ZINC000658345067 471291463 /nfs/dbraw/zinc/29/14/63/471291463.db2.gz YLZSXFKYIFAEOH-XLIONFOSSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)C1CCOCC1 ZINC000658345067 471291465 /nfs/dbraw/zinc/29/14/65/471291465.db2.gz YLZSXFKYIFAEOH-XLIONFOSSA-N 2 2 331.504 2.207 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669024369 471354093 /nfs/dbraw/zinc/35/40/93/471354093.db2.gz BYGSYXQNHHIQTA-MBNYWOFBSA-N 2 2 347.850 2.175 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000660588851 471404833 /nfs/dbraw/zinc/40/48/33/471404833.db2.gz CNFLWQDUWHDCPW-LLVKDONJSA-N 2 2 347.385 2.117 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCc2[nH+]ccn2CC(F)(F)F)C1 ZINC000660588851 471404836 /nfs/dbraw/zinc/40/48/36/471404836.db2.gz CNFLWQDUWHDCPW-LLVKDONJSA-N 2 2 347.385 2.117 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000653090364 471480769 /nfs/dbraw/zinc/48/07/69/471480769.db2.gz NEAWOYBIGCDIMJ-CHWSQXEVSA-N 2 2 330.259 2.376 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857641 471522827 /nfs/dbraw/zinc/52/28/27/471522827.db2.gz UKHOHEUVAMYSLP-MRXNPFEDSA-N 2 2 330.476 2.130 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000660857641 471522832 /nfs/dbraw/zinc/52/28/32/471522832.db2.gz UKHOHEUVAMYSLP-MRXNPFEDSA-N 2 2 330.476 2.130 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000664195404 471672283 /nfs/dbraw/zinc/67/22/83/471672283.db2.gz CCRASPSQWIQKAM-INIZCTEOSA-N 3 2 334.512 2.151 10 0 EEAELP CCN1CC[C@@H]([NH2+][C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)C1=O ZINC000656488167 471732585 /nfs/dbraw/zinc/73/25/85/471732585.db2.gz LQJBSSCWJCYSRV-QZTJIDSGSA-N 2 2 326.444 2.452 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778115 471737275 /nfs/dbraw/zinc/73/72/75/471737275.db2.gz BRGPHAKWKWZEFM-GOSISDBHSA-N 2 2 344.455 2.244 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778115 471737278 /nfs/dbraw/zinc/73/72/78/471737278.db2.gz BRGPHAKWKWZEFM-GOSISDBHSA-N 2 2 344.455 2.244 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778115 471737281 /nfs/dbraw/zinc/73/72/81/471737281.db2.gz BRGPHAKWKWZEFM-GOSISDBHSA-N 2 2 344.455 2.244 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778115 471737285 /nfs/dbraw/zinc/73/72/85/471737285.db2.gz BRGPHAKWKWZEFM-GOSISDBHSA-N 2 2 344.455 2.244 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779335 471739533 /nfs/dbraw/zinc/73/95/33/471739533.db2.gz WNJSTSNRFDRGSY-ROUUACIJSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779335 471739539 /nfs/dbraw/zinc/73/95/39/471739539.db2.gz WNJSTSNRFDRGSY-ROUUACIJSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779335 471739543 /nfs/dbraw/zinc/73/95/43/471739543.db2.gz WNJSTSNRFDRGSY-ROUUACIJSA-N 2 2 338.467 2.162 10 0 EEAELP COCC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779335 471739545 /nfs/dbraw/zinc/73/95/45/471739545.db2.gz WNJSTSNRFDRGSY-ROUUACIJSA-N 2 2 338.467 2.162 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[NH2+]C1(C(N)=O)CCOCC1 ZINC000661594821 471812199 /nfs/dbraw/zinc/81/21/99/471812199.db2.gz CZRXPNIWSFXSOA-UHFFFAOYSA-N 2 2 344.459 2.139 10 0 EEAELP C[NH+]1CCN(c2ncc(CNc3c[nH+]cc4c3CCCC4)cn2)CC1 ZINC000656777039 471838059 /nfs/dbraw/zinc/83/80/59/471838059.db2.gz YKCRMGUSLLYBKE-UHFFFAOYSA-N 2 2 338.459 2.114 10 0 EEAELP COc1cccc([C@@]2(C)CC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)c1 ZINC000662309698 472065704 /nfs/dbraw/zinc/06/57/04/472065704.db2.gz CGFIOYSXRYSQTP-SFHVURJKSA-N 2 2 330.432 2.436 10 0 EEAELP COc1cccc([C@@]2(C)CC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)c1 ZINC000662309698 472065707 /nfs/dbraw/zinc/06/57/07/472065707.db2.gz CGFIOYSXRYSQTP-SFHVURJKSA-N 2 2 330.432 2.436 10 0 EEAELP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662318753 472067448 /nfs/dbraw/zinc/06/74/48/472067448.db2.gz FZTCEORKUWXEAD-SJLPKXTDSA-N 2 2 333.476 2.365 10 0 EEAELP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662318753 472067455 /nfs/dbraw/zinc/06/74/55/472067455.db2.gz FZTCEORKUWXEAD-SJLPKXTDSA-N 2 2 333.476 2.365 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000662325052 472071163 /nfs/dbraw/zinc/07/11/63/472071163.db2.gz HEHZDNPJTAJIEE-FQEVSTJZSA-N 2 2 342.487 2.474 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000662325052 472071165 /nfs/dbraw/zinc/07/11/65/472071165.db2.gz HEHZDNPJTAJIEE-FQEVSTJZSA-N 2 2 342.487 2.474 10 0 EEAELP CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668294028 472073360 /nfs/dbraw/zinc/07/33/60/472073360.db2.gz OMQCGZAGWHFCKS-QGZVFWFLSA-N 2 2 339.443 2.004 10 0 EEAELP CCOc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000665796769 472191417 /nfs/dbraw/zinc/19/14/17/472191417.db2.gz HVSPXROLECRWFO-UHFFFAOYSA-N 2 2 336.480 2.399 10 0 EEAELP CCOc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000665796769 472191425 /nfs/dbraw/zinc/19/14/25/472191425.db2.gz HVSPXROLECRWFO-UHFFFAOYSA-N 2 2 336.480 2.399 10 0 EEAELP [NH3+][C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1c(F)cccc1F ZINC000662686274 472206623 /nfs/dbraw/zinc/20/66/23/472206623.db2.gz LPQHXJIBRBNBNY-DOTOQJQBSA-N 2 2 347.365 2.264 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662800131 472256950 /nfs/dbraw/zinc/25/69/50/472256950.db2.gz ZCHOPAJOOIXOQV-HIFRSBDPSA-N 2 2 325.815 2.222 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662800131 472256953 /nfs/dbraw/zinc/25/69/53/472256953.db2.gz ZCHOPAJOOIXOQV-HIFRSBDPSA-N 2 2 325.815 2.222 10 0 EEAELP C[C@@H]([NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045084 485572234 /nfs/dbraw/zinc/57/22/34/485572234.db2.gz SEFLTIPXYPFOBY-WIYYLYMNSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@@H]([NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045084 485572241 /nfs/dbraw/zinc/57/22/41/485572241.db2.gz SEFLTIPXYPFOBY-WIYYLYMNSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[C@H](N[C@@]2(CO)CCC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000679045965 485574132 /nfs/dbraw/zinc/57/41/32/485574132.db2.gz YLFNMRKVNZWHIR-LMNJBCLMSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@H](N[C@@]2(CO)CCC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000679045965 485574140 /nfs/dbraw/zinc/57/41/40/485574140.db2.gz YLFNMRKVNZWHIR-LMNJBCLMSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@H](N[C@@]2(CO)CCC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000679045965 485574147 /nfs/dbraw/zinc/57/41/47/485574147.db2.gz YLFNMRKVNZWHIR-LMNJBCLMSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H]1C[C@H](N[C@@]2(CO)CCC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000679045965 485574153 /nfs/dbraw/zinc/57/41/53/485574153.db2.gz YLFNMRKVNZWHIR-LMNJBCLMSA-N 2 2 343.515 2.228 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000683918335 485685570 /nfs/dbraw/zinc/68/55/70/485685570.db2.gz GRDNPVCGJOZBGM-AWEZNQCLSA-N 2 2 326.444 2.250 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000683918335 485685576 /nfs/dbraw/zinc/68/55/76/485685576.db2.gz GRDNPVCGJOZBGM-AWEZNQCLSA-N 2 2 326.444 2.250 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)c1c[nH+]c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000683918335 485685582 /nfs/dbraw/zinc/68/55/82/485685582.db2.gz GRDNPVCGJOZBGM-AWEZNQCLSA-N 2 2 326.444 2.250 10 0 EEAELP C[C@@H](CNC(=O)C(C)(C)c1c[nH+]c[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000683918335 485685586 /nfs/dbraw/zinc/68/55/86/485685586.db2.gz GRDNPVCGJOZBGM-AWEZNQCLSA-N 2 2 326.444 2.250 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000674313966 485692278 /nfs/dbraw/zinc/69/22/78/485692278.db2.gz VRDZBAOKOBWTKY-SFHVURJKSA-N 3 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000674313966 485692287 /nfs/dbraw/zinc/69/22/87/485692287.db2.gz VRDZBAOKOBWTKY-SFHVURJKSA-N 3 2 328.460 2.082 10 0 EEAELP O[C@@H](C[NH2+][C@H]1COc2c1ccc(Cl)c2Cl)C[NH+]1CCCC1 ZINC000675766151 486063850 /nfs/dbraw/zinc/06/38/50/486063850.db2.gz DVCUOLDEXIGSCU-GWCFXTLKSA-N 2 2 331.243 2.473 10 0 EEAELP C[NH+](C)C[C@@H](NC(=O)Cn1c[nH+]c2c1CCCC2)c1ccc(F)cc1 ZINC000673341069 486312300 /nfs/dbraw/zinc/31/23/00/486312300.db2.gz TUQHQOLSJKPBEU-QGZVFWFLSA-N 2 2 344.434 2.320 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000738159977 578001830 /nfs/dbraw/zinc/00/18/30/578001830.db2.gz VJTHRTHDQHHEHX-MRXNPFEDSA-N 2 2 339.399 2.314 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000738159977 578001831 /nfs/dbraw/zinc/00/18/31/578001831.db2.gz VJTHRTHDQHHEHX-MRXNPFEDSA-N 2 2 339.399 2.314 10 0 EEAELP COc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000765261341 577498081 /nfs/dbraw/zinc/49/80/81/577498081.db2.gz KLZIRLGAPQWYAH-IBGZPJMESA-N 2 2 341.455 2.378 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC000897157984 686198311 /nfs/dbraw/zinc/19/83/11/686198311.db2.gz SYSCXNXVIRNHMM-MQBCKMQZSA-N 2 2 333.480 2.027 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC000897157984 686198316 /nfs/dbraw/zinc/19/83/16/686198316.db2.gz SYSCXNXVIRNHMM-MQBCKMQZSA-N 2 2 333.480 2.027 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC000925331737 692840541 /nfs/dbraw/zinc/84/05/41/692840541.db2.gz KVRURIXVFMDTBZ-NVXWUHKLSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@@H]1[C@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC000925331737 692840550 /nfs/dbraw/zinc/84/05/50/692840550.db2.gz KVRURIXVFMDTBZ-NVXWUHKLSA-N 2 2 333.480 2.178 10 0 EEAELP CCO[C@H](C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21)C[NH+](C)C ZINC000926957366 693040948 /nfs/dbraw/zinc/04/09/48/693040948.db2.gz AJTDHENWWKHHSR-IEBWSBKVSA-N 2 2 333.476 2.036 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001485508382 1191819818 /nfs/dbraw/zinc/81/98/18/1191819818.db2.gz CUJUROBQENSNLQ-CHWSQXEVSA-N 2 2 340.418 2.214 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001485508382 1191819820 /nfs/dbraw/zinc/81/98/20/1191819820.db2.gz CUJUROBQENSNLQ-CHWSQXEVSA-N 2 2 340.418 2.214 10 0 EEAELP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001485572130 1191841145 /nfs/dbraw/zinc/84/11/45/1191841145.db2.gz QTGHGCKOGQSNQS-BFYDXBDKSA-N 2 2 348.491 2.155 10 0 EEAELP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C(C)(C)C1 ZINC001485572130 1191841147 /nfs/dbraw/zinc/84/11/47/1191841147.db2.gz QTGHGCKOGQSNQS-BFYDXBDKSA-N 2 2 348.491 2.155 10 0 EEAELP CC(C)OCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001485572130 1191841149 /nfs/dbraw/zinc/84/11/49/1191841149.db2.gz QTGHGCKOGQSNQS-BFYDXBDKSA-N 2 2 348.491 2.155 10 0 EEAELP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C(C)(C)C1 ZINC001485572130 1191841151 /nfs/dbraw/zinc/84/11/51/1191841151.db2.gz QTGHGCKOGQSNQS-BFYDXBDKSA-N 2 2 348.491 2.155 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](CCNC(=O)Cc2c[nH]c[nH+]2)C(C)C)s1 ZINC001485790116 1191953747 /nfs/dbraw/zinc/95/37/47/1191953747.db2.gz MJTMTXLACYDBLT-OAHLLOKOSA-N 2 2 349.504 2.346 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001266801082 1177453666 /nfs/dbraw/zinc/45/36/66/1177453666.db2.gz JNHYTJZFHBLCEX-LJQANCHMSA-N 2 2 340.471 2.344 10 0 EEAELP C[C@H](O)CCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001266873435 1177674650 /nfs/dbraw/zinc/67/46/50/1177674650.db2.gz XTNFRPIBUJHDID-JKSUJKDBSA-N 2 2 344.459 2.080 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC001266886153 1177708084 /nfs/dbraw/zinc/70/80/84/1177708084.db2.gz KBPRWXMTHMALET-ZWKOTPCHSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001266957297 1177897626 /nfs/dbraw/zinc/89/76/26/1177897626.db2.gz YMAPIVZHGPVYTL-AWEZNQCLSA-N 2 2 339.443 2.129 10 0 EEAELP CCc1nocc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267176889 1178423388 /nfs/dbraw/zinc/42/33/88/1178423388.db2.gz NCVVFTDXLUDRKT-OAHLLOKOSA-N 2 2 345.447 2.064 10 0 EEAELP CCc1nocc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001267176889 1178423393 /nfs/dbraw/zinc/42/33/93/1178423393.db2.gz NCVVFTDXLUDRKT-OAHLLOKOSA-N 2 2 345.447 2.064 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001267434304 1179003373 /nfs/dbraw/zinc/00/33/73/1179003373.db2.gz WATCZSKRWKXXQA-LBPRGKRZSA-N 2 2 335.477 2.156 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001267751713 1180411057 /nfs/dbraw/zinc/41/10/57/1180411057.db2.gz JMZXJXJDAOKFFH-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001267751713 1180411060 /nfs/dbraw/zinc/41/10/60/1180411060.db2.gz JMZXJXJDAOKFFH-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(C[NH2+]C/C=C/Cl)cc1 ZINC001267940721 1180795683 /nfs/dbraw/zinc/79/56/83/1180795683.db2.gz NAHJRSPOKQNOPM-FARCUNLSSA-N 2 2 332.835 2.419 10 0 EEAELP Cc1conc1C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001481319794 1181025219 /nfs/dbraw/zinc/02/52/19/1181025219.db2.gz OGRVXOUGRLXNHQ-KRWDZBQOSA-N 2 2 336.480 2.042 10 0 EEAELP C[N@@H+]1CCC[C@H]1c1cc(C(=O)NCC[C@@H]2CC[NH+](CC3CC3)C2)[nH]n1 ZINC001481430751 1181318134 /nfs/dbraw/zinc/31/81/34/1181318134.db2.gz BTNGJLDPWHXGSI-QAPCUYQASA-N 2 2 345.491 2.028 10 0 EEAELP C[N@H+]1CCC[C@H]1c1cc(C(=O)NCC[C@@H]2CC[NH+](CC3CC3)C2)[nH]n1 ZINC001481430751 1181318142 /nfs/dbraw/zinc/31/81/42/1181318142.db2.gz BTNGJLDPWHXGSI-QAPCUYQASA-N 2 2 345.491 2.028 10 0 EEAELP C[NH+]1CCC[C@H]1c1cc(C(=O)NCC[C@@H]2CC[N@H+](CC3CC3)C2)[nH]n1 ZINC001481430751 1181318148 /nfs/dbraw/zinc/31/81/48/1181318148.db2.gz BTNGJLDPWHXGSI-QAPCUYQASA-N 2 2 345.491 2.028 10 0 EEAELP C[NH+]1CCC[C@H]1c1cc(C(=O)NCC[C@@H]2CC[N@@H+](CC3CC3)C2)[nH]n1 ZINC001481430751 1181318154 /nfs/dbraw/zinc/31/81/54/1181318154.db2.gz BTNGJLDPWHXGSI-QAPCUYQASA-N 2 2 345.491 2.028 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001268288965 1182173292 /nfs/dbraw/zinc/17/32/92/1182173292.db2.gz KIYXVFAONJXUDO-FUHWJXTLSA-N 2 2 332.492 2.417 10 0 EEAELP CCN(CC[NH2+]Cc1ccsc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268451026 1182642150 /nfs/dbraw/zinc/64/21/50/1182642150.db2.gz BOCFNVIWVNVLEJ-UHFFFAOYSA-N 2 2 346.500 2.462 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCc1ccccc1 ZINC001481827396 1182757805 /nfs/dbraw/zinc/75/78/05/1182757805.db2.gz ZHTVNDSCINVIQH-ZWKOTPCHSA-N 2 2 340.471 2.173 10 0 EEAELP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001269871124 1184683235 /nfs/dbraw/zinc/68/32/35/1184683235.db2.gz OQCLODNBUXDJTD-FVQBIDKESA-N 2 2 336.455 2.480 10 0 EEAELP C[C@@H](F)CC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001269871124 1184683239 /nfs/dbraw/zinc/68/32/39/1184683239.db2.gz OQCLODNBUXDJTD-FVQBIDKESA-N 2 2 336.455 2.480 10 0 EEAELP O=C(N[C@H](C[NH2+]CCCF)C1CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001270412310 1185086937 /nfs/dbraw/zinc/08/69/37/1185086937.db2.gz FBQUYEXZILMCCH-HZPDHXFCSA-N 2 2 336.455 2.070 10 0 EEAELP CC[C@@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)CCc1c[nH+]cn1C ZINC001482464421 1185949240 /nfs/dbraw/zinc/94/92/40/1185949240.db2.gz ZEQSSFGQFPVMBD-HZPDHXFCSA-N 2 2 338.471 2.462 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001280417965 1186401248 /nfs/dbraw/zinc/40/12/48/1186401248.db2.gz JYOKBFIEENLWBC-ROUUACIJSA-N 2 2 339.524 2.258 10 0 EEAELP CCCCC[N@H+]1CCOC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001280417965 1186401251 /nfs/dbraw/zinc/40/12/51/1186401251.db2.gz JYOKBFIEENLWBC-ROUUACIJSA-N 2 2 339.524 2.258 10 0 EEAELP C/C(=C\C(=O)NCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](C)O2)CC1)C1CC1 ZINC001271905493 1186608656 /nfs/dbraw/zinc/60/86/56/1186608656.db2.gz RMXBCIHPQRZIJW-KYPGLKONSA-N 2 2 349.519 2.080 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2scnc2C)c[nH+]1 ZINC001482842331 1187761386 /nfs/dbraw/zinc/76/13/86/1187761386.db2.gz AFONVDNTWARLDC-LBPRGKRZSA-N 2 2 349.504 2.376 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C\C[NH2+]Cc1cc(C)cc(C)c1 ZINC001483089536 1188453803 /nfs/dbraw/zinc/45/38/03/1188453803.db2.gz WVKWXBOGPSEKOB-PLNGDYQASA-N 2 2 326.444 2.340 10 0 EEAELP C[C@H](C[NH2+]CC1CCCCC1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483130617 1188624514 /nfs/dbraw/zinc/62/45/14/1188624514.db2.gz YJOQOXBXGKWLMA-OAHLLOKOSA-N 2 2 332.492 2.437 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]Cc2cccc(Cl)n2)c[nH+]1 ZINC001483140582 1188696517 /nfs/dbraw/zinc/69/65/17/1188696517.db2.gz HVHGMMPVDAGAIT-GFCCVEGCSA-N 2 2 349.866 2.270 10 0 EEAELP C[C@H](CC[NH2+]C[C@H]1CCCCO1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001272866273 1193583840 /nfs/dbraw/zinc/58/38/40/1193583840.db2.gz ULZRTPGJAZBBNB-UKRRQHHQSA-N 2 2 330.432 2.230 10 0 EEAELP Cc1ccc(CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1 ZINC001409399781 1189625143 /nfs/dbraw/zinc/62/51/43/1189625143.db2.gz WOPOJWLRAOTUCW-DLBZAZTESA-N 2 2 328.460 2.307 10 0 EEAELP CCc1ccccc1CC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001409428801 1189664005 /nfs/dbraw/zinc/66/40/05/1189664005.db2.gz ZCYXCIGWCDFXOZ-CVEARBPZSA-N 2 2 342.487 2.251 10 0 EEAELP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001409437517 1189676340 /nfs/dbraw/zinc/67/63/40/1189676340.db2.gz BYBUPLRAKWXUGL-CABCVRRESA-N 2 2 338.471 2.268 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001272598249 1190913390 /nfs/dbraw/zinc/91/33/90/1190913390.db2.gz BVYVUFBNYSXSHQ-CQSZACIVSA-N 2 2 347.488 2.054 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001483803018 1191044409 /nfs/dbraw/zinc/04/44/09/1191044409.db2.gz YMVTWCWOHUFBDI-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)C1 ZINC001483803018 1191044412 /nfs/dbraw/zinc/04/44/12/1191044412.db2.gz YMVTWCWOHUFBDI-MSOLQXFVSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)[C@@H](C(=O)N(C)C1C[NH+](C/C=C/c2ccccc2)C1)[NH+](C)C ZINC001483889506 1191110553 /nfs/dbraw/zinc/11/05/53/1191110553.db2.gz ZSVUICDARAZFOT-DLENHJPASA-N 2 2 329.488 2.429 10 0 EEAELP C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccns1)n1cc[nH+]c1 ZINC001483946347 1191126719 /nfs/dbraw/zinc/12/67/19/1191126719.db2.gz OOTVRTAKIQDPAU-GJZGRUSLSA-N 2 2 347.488 2.114 10 0 EEAELP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001484099334 1191210280 /nfs/dbraw/zinc/21/02/80/1191210280.db2.gz GNPCQYMCTFJGPB-VQIMIIECSA-N 2 2 330.476 2.074 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC3([NH2+]CCC[C@H](C)O)CCC3)ccn12 ZINC001484634589 1191446197 /nfs/dbraw/zinc/44/61/97/1191446197.db2.gz OAWFCPSKSYIEOT-HNNXBMFYSA-N 2 2 344.459 2.046 10 0 EEAELP CC[C@@H](F)C[N@H+](C)CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001484747554 1191505267 /nfs/dbraw/zinc/50/52/67/1191505267.db2.gz SAOVAVYOPUJCHK-OAHLLOKOSA-N 2 2 326.460 2.455 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)CCCN(C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001484747554 1191505270 /nfs/dbraw/zinc/50/52/70/1191505270.db2.gz SAOVAVYOPUJCHK-OAHLLOKOSA-N 2 2 326.460 2.455 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CCC(C)([NH2+]CCF)CC3)[nH+]c12 ZINC001484924537 1191572741 /nfs/dbraw/zinc/57/27/41/1191572741.db2.gz RYJSUVRPFAVYLI-UHFFFAOYSA-N 2 2 332.423 2.125 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@H+](C)Cc1cccc(F)c1 ZINC001485319384 1191733375 /nfs/dbraw/zinc/73/33/75/1191733375.db2.gz HUUVZVUNSIRAGQ-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[N@@H+](C)Cc1cccc(F)c1 ZINC001485319384 1191733377 /nfs/dbraw/zinc/73/33/77/1191733377.db2.gz HUUVZVUNSIRAGQ-GOEBONIOSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)on1 ZINC001485389789 1191775674 /nfs/dbraw/zinc/77/56/74/1191775674.db2.gz VSCRUAGIFVDCPG-DOTOQJQBSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)on1 ZINC001485389789 1191775676 /nfs/dbraw/zinc/77/56/76/1191775676.db2.gz VSCRUAGIFVDCPG-DOTOQJQBSA-N 2 2 336.480 2.040 10 0 EEAELP COc1cccc(C[N@H+](C)CCN(C(=O)Cn2cc[nH+]c2)C(C)C)c1 ZINC001486380302 1193891628 /nfs/dbraw/zinc/89/16/28/1193891628.db2.gz CSAXFYKXAWEALZ-UHFFFAOYSA-N 2 2 344.459 2.261 10 0 EEAELP COc1cccc(C[N@@H+](C)CCN(C(=O)Cn2cc[nH+]c2)C(C)C)c1 ZINC001486380302 1193891633 /nfs/dbraw/zinc/89/16/33/1193891633.db2.gz CSAXFYKXAWEALZ-UHFFFAOYSA-N 2 2 344.459 2.261 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001486440132 1193967859 /nfs/dbraw/zinc/96/78/59/1193967859.db2.gz BJBQOPYOGWGQPS-OAHLLOKOSA-N 2 2 326.444 2.369 10 0 EEAELP CC[C@H](C[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12)OC ZINC001410893372 1198548286 /nfs/dbraw/zinc/54/82/86/1198548286.db2.gz FFQRVKHUIWPPIG-ZHALLVOQSA-N 2 2 348.491 2.202 10 0 EEAELP CC[C@H](C[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@@H]12)OC ZINC001410893372 1198548289 /nfs/dbraw/zinc/54/82/89/1198548289.db2.gz FFQRVKHUIWPPIG-ZHALLVOQSA-N 2 2 348.491 2.202 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1[N@H+](Cc1cccnc1)CC2 ZINC001410915438 1198570254 /nfs/dbraw/zinc/57/02/54/1198570254.db2.gz VPWLSKXNCADWOH-MJGOQNOKSA-N 2 2 339.443 2.051 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@]12CCC[C@H]1[N@@H+](Cc1cccnc1)CC2 ZINC001410915438 1198570258 /nfs/dbraw/zinc/57/02/58/1198570258.db2.gz VPWLSKXNCADWOH-MJGOQNOKSA-N 2 2 339.443 2.051 10 0 EEAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000866702430 1201584206 /nfs/dbraw/zinc/58/42/06/1201584206.db2.gz APTFMOOWPQIHER-LJQANCHMSA-N 2 2 347.459 2.093 10 0 EEAELP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000866702430 1201584209 /nfs/dbraw/zinc/58/42/09/1201584209.db2.gz APTFMOOWPQIHER-LJQANCHMSA-N 2 2 347.459 2.093 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001274141982 1204401200 /nfs/dbraw/zinc/40/12/00/1204401200.db2.gz KHWMDFLNBWEKIE-KVLZDYKBSA-N 2 2 338.455 2.216 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001274611248 1205097805 /nfs/dbraw/zinc/09/78/05/1205097805.db2.gz SLSFSMRJRYBQBS-FPLPWBNLSA-N 2 2 336.480 2.074 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001274611248 1205097808 /nfs/dbraw/zinc/09/78/08/1205097808.db2.gz SLSFSMRJRYBQBS-FPLPWBNLSA-N 2 2 336.480 2.074 10 0 EEAELP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000924614125 1206003930 /nfs/dbraw/zinc/00/39/30/1206003930.db2.gz SLTPILAVNAQBPP-RUYXUALKSA-N 2 2 331.504 2.459 10 0 EEAELP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(OC)n1 ZINC000925020432 1206061792 /nfs/dbraw/zinc/06/17/92/1206061792.db2.gz PWUXRMKTJGDNOI-INIZCTEOSA-N 2 2 348.491 2.074 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)OCCO2 ZINC000925792773 1206154497 /nfs/dbraw/zinc/15/44/97/1206154497.db2.gz HAGXXZBLWOHGRR-GDBMZVCRSA-N 2 2 332.444 2.267 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925950679 1206173566 /nfs/dbraw/zinc/17/35/66/1206173566.db2.gz CCBGDWDCVDPPDB-ZXFNITATSA-N 2 2 346.475 2.025 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000925950679 1206173567 /nfs/dbraw/zinc/17/35/67/1206173567.db2.gz CCBGDWDCVDPPDB-ZXFNITATSA-N 2 2 346.475 2.025 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cccnn2)CC1 ZINC000929843851 1206508012 /nfs/dbraw/zinc/50/80/12/1206508012.db2.gz ZVMCYJBNHCMHOR-MRXNPFEDSA-N 2 2 345.491 2.392 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cccnn2)CC1 ZINC000929843851 1206508014 /nfs/dbraw/zinc/50/80/14/1206508014.db2.gz ZVMCYJBNHCMHOR-MRXNPFEDSA-N 2 2 345.491 2.392 10 0 EEAELP C[N@H+](C[C@H](O)C1(O)CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982621 1206525163 /nfs/dbraw/zinc/52/51/63/1206525163.db2.gz PUGJEBLATHYXRH-IBGZPJMESA-N 2 2 332.488 2.249 10 0 EEAELP C[N@@H+](C[C@H](O)C1(O)CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982621 1206525165 /nfs/dbraw/zinc/52/51/65/1206525165.db2.gz PUGJEBLATHYXRH-IBGZPJMESA-N 2 2 332.488 2.249 10 0 EEAELP Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)c(N(C)C)[nH+]1 ZINC000930505861 1206563339 /nfs/dbraw/zinc/56/33/39/1206563339.db2.gz WRWBVQJDIJFPAH-UKRRQHHQSA-N 2 2 349.504 2.157 10 0 EEAELP Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)c(N(C)C)[nH+]1 ZINC000930505861 1206563340 /nfs/dbraw/zinc/56/33/40/1206563340.db2.gz WRWBVQJDIJFPAH-UKRRQHHQSA-N 2 2 349.504 2.157 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000795452492 1212802426 /nfs/dbraw/zinc/80/24/26/1212802426.db2.gz OIDRVMSVUMGENW-CYBMUJFWSA-N 2 2 328.407 2.229 10 0 EEAELP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C[C@H](C(F)F)CC1=O ZINC000795452492 1212802434 /nfs/dbraw/zinc/80/24/34/1212802434.db2.gz OIDRVMSVUMGENW-CYBMUJFWSA-N 2 2 328.407 2.229 10 0 EEAELP COc1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)c1OC ZINC000827699605 1248653559 /nfs/dbraw/zinc/65/35/59/1248653559.db2.gz JOFLAUVECPCXRS-QGZVFWFLSA-N 2 2 334.460 2.043 10 0 EEAELP COc1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C)c1OC ZINC000827699605 1248653572 /nfs/dbraw/zinc/65/35/72/1248653572.db2.gz JOFLAUVECPCXRS-QGZVFWFLSA-N 2 2 334.460 2.043 10 0 EEAELP C/C(=C/C(=O)NC1CC[NH+](CC2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900417513 1234335746 /nfs/dbraw/zinc/33/57/46/1234335746.db2.gz PYILUHWCCMJGOH-VKAVYKQESA-N 2 2 349.519 2.036 10 0 EEAELP C/C(=C\C(=O)Nc1cc(C[NH+](C)C)ccc1C)C[NH+]1CCOCC1 ZINC000900954423 1235041469 /nfs/dbraw/zinc/04/14/69/1235041469.db2.gz HGCQAGAHZLBSBA-RVDMUPIBSA-N 2 2 331.460 2.274 10 0 EEAELP Brc1cnc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)nc1 ZINC000903566202 1240960365 /nfs/dbraw/zinc/96/03/65/1240960365.db2.gz LJCHNQAUAZRCRU-DGCLKSJQSA-N 2 2 325.254 2.376 10 0 EEAELP Brc1cnc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)nc1 ZINC000903566202 1240960369 /nfs/dbraw/zinc/96/03/69/1240960369.db2.gz LJCHNQAUAZRCRU-DGCLKSJQSA-N 2 2 325.254 2.376 10 0 EEAELP Cc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001491075016 1258639823 /nfs/dbraw/zinc/63/98/23/1258639823.db2.gz BICBWMLLBFBAGT-CALCHBBNSA-N 2 2 344.434 2.237 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001491478071 1259128205 /nfs/dbraw/zinc/12/82/05/1259128205.db2.gz YCURIUCMZSGVTJ-MNOVXSKESA-N 2 2 333.263 2.021 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001491478071 1259128208 /nfs/dbraw/zinc/12/82/08/1259128208.db2.gz YCURIUCMZSGVTJ-MNOVXSKESA-N 2 2 333.263 2.021 10 0 EEAELP CCOCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001273849626 1286768537 /nfs/dbraw/zinc/76/85/37/1286768537.db2.gz WABPLNBXTCGTOI-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP CCOCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001273849626 1286768549 /nfs/dbraw/zinc/76/85/49/1286768549.db2.gz WABPLNBXTCGTOI-LJQANCHMSA-N 2 2 348.491 2.014 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCCCC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC001488666943 1290118471 /nfs/dbraw/zinc/11/84/71/1290118471.db2.gz JDQMEQUYLHQEGF-CYBMUJFWSA-N 2 2 332.370 2.218 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CCCCC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC001488666943 1290118475 /nfs/dbraw/zinc/11/84/75/1290118475.db2.gz JDQMEQUYLHQEGF-CYBMUJFWSA-N 2 2 332.370 2.218 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001489274204 1290500238 /nfs/dbraw/zinc/50/02/38/1290500238.db2.gz UHOXAZPIDYRION-ZBFHGGJFSA-N 2 2 344.459 2.428 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)[C@H]1C ZINC001489274204 1290500246 /nfs/dbraw/zinc/50/02/46/1290500246.db2.gz UHOXAZPIDYRION-ZBFHGGJFSA-N 2 2 344.459 2.428 10 0 EEAELP CC[C@@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1)OC ZINC001489326564 1290512233 /nfs/dbraw/zinc/51/22/33/1290512233.db2.gz USWRFGDITNWKKE-IRXDYDNUSA-N 2 2 336.480 2.011 10 0 EEAELP CC[C@@H](C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1)OC ZINC001489326564 1290512240 /nfs/dbraw/zinc/51/22/40/1290512240.db2.gz USWRFGDITNWKKE-IRXDYDNUSA-N 2 2 336.480 2.011 10 0 EEAELP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000852149490 1292015261 /nfs/dbraw/zinc/01/52/61/1292015261.db2.gz RCQASPZPOWSCSS-HNNXBMFYSA-N 2 2 341.496 2.086 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000858222945 1294051172 /nfs/dbraw/zinc/05/11/72/1294051172.db2.gz KUQLCAKKLZEEPX-UHFFFAOYSA-N 2 2 348.491 2.111 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+]([C@H]3CCN(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000931315906 1297132860 /nfs/dbraw/zinc/13/28/60/1297132860.db2.gz DADCRIAULTUNSS-YTQUADARSA-N 2 2 331.435 2.205 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+]([C@H]3CCN(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000931315906 1297132870 /nfs/dbraw/zinc/13/28/70/1297132870.db2.gz DADCRIAULTUNSS-YTQUADARSA-N 2 2 331.435 2.205 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+]([C@H]3CCN(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000931315906 1297132879 /nfs/dbraw/zinc/13/28/79/1297132879.db2.gz DADCRIAULTUNSS-YTQUADARSA-N 2 2 331.435 2.205 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+]([C@H]3CCN(c4ccc(F)cc4)C3=O)C[C@]2(C)C1 ZINC000931315906 1297132889 /nfs/dbraw/zinc/13/28/89/1297132889.db2.gz DADCRIAULTUNSS-YTQUADARSA-N 2 2 331.435 2.205 10 0 EEAELP Fc1cccc(Cl)c1[C@H]1CN([NH2+]CC2CC[NH2+]CC2)CCO1 ZINC000843043955 1315827076 /nfs/dbraw/zinc/82/70/76/1315827076.db2.gz DTCWQGDPHURPQQ-OAHLLOKOSA-N 2 2 327.831 2.357 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278566406 1317248689 /nfs/dbraw/zinc/24/86/89/1317248689.db2.gz XHCYVHPYKCKZLU-RYUDHWBXSA-N 2 2 332.370 2.169 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001278566406 1317248697 /nfs/dbraw/zinc/24/86/97/1317248697.db2.gz XHCYVHPYKCKZLU-RYUDHWBXSA-N 2 2 332.370 2.169 10 0 EEAELP COCCCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1(C)C ZINC001278673647 1317639981 /nfs/dbraw/zinc/63/99/81/1317639981.db2.gz USICLCQHAQRNGI-HZPDHXFCSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC[N@@H+]1C ZINC001258296497 1319226927 /nfs/dbraw/zinc/22/69/27/1319226927.db2.gz AVSICIMINUCMEO-HZSPNIEDSA-N 2 2 348.318 2.055 10 0 EEAELP C[C@@H]1[C@H](C(=O)N2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC[N@H+]1C ZINC001258296497 1319226930 /nfs/dbraw/zinc/22/69/30/1319226930.db2.gz AVSICIMINUCMEO-HZSPNIEDSA-N 2 2 348.318 2.055 10 0 EEAELP C[C@@H]1CC[C@@H](C[N@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)O1 ZINC001265001165 1322847656 /nfs/dbraw/zinc/84/76/56/1322847656.db2.gz PTPHGYAKNFMFDP-HIFRSBDPSA-N 2 2 330.432 2.182 10 0 EEAELP C[C@@H]1CC[C@@H](C[N@@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)O1 ZINC001265001165 1322847662 /nfs/dbraw/zinc/84/76/62/1322847662.db2.gz PTPHGYAKNFMFDP-HIFRSBDPSA-N 2 2 330.432 2.182 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1)c1cccc2[nH+]ccn21 ZINC001265549678 1323215729 /nfs/dbraw/zinc/21/57/29/1323215729.db2.gz UPRWAISYVKOUOT-OAGGEKHMSA-N 2 2 342.443 2.001 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCc2c1cccc2F ZINC001265945012 1323508118 /nfs/dbraw/zinc/50/81/18/1323508118.db2.gz XEQKFHKRRLFHQF-INIZCTEOSA-N 2 2 330.407 2.217 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCc2c1cccc2F ZINC001265945012 1323508123 /nfs/dbraw/zinc/50/81/23/1323508123.db2.gz XEQKFHKRRLFHQF-INIZCTEOSA-N 2 2 330.407 2.217 10 0 EEAELP Cc1cnc(C[N@@H+](C)CCCNC(=O)c2cccc(C[NH+](C)C)c2)o1 ZINC001265978226 1323538388 /nfs/dbraw/zinc/53/83/88/1323538388.db2.gz FZWZRGHITCMANE-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP Cc1cnc(C[N@H+](C)CCCNC(=O)c2cccc(C[NH+](C)C)c2)o1 ZINC001265978226 1323538395 /nfs/dbraw/zinc/53/83/95/1323538395.db2.gz FZWZRGHITCMANE-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001280097343 1324083855 /nfs/dbraw/zinc/08/38/55/1324083855.db2.gz YKQJSWJNURCCGG-IAGOWNOFSA-N 2 2 330.476 2.074 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001281888080 1325499126 /nfs/dbraw/zinc/49/91/26/1325499126.db2.gz XISXIIFPNDWVIX-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCC[C@H]1C[NH2+]CCOC1CCC1 ZINC001281888080 1325499132 /nfs/dbraw/zinc/49/91/32/1325499132.db2.gz XISXIIFPNDWVIX-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001282737424 1325775966 /nfs/dbraw/zinc/77/59/66/1325775966.db2.gz BCHQOLZKKPTJBL-CYBMUJFWSA-N 2 2 338.883 2.012 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001282737424 1325775969 /nfs/dbraw/zinc/77/59/69/1325775969.db2.gz BCHQOLZKKPTJBL-CYBMUJFWSA-N 2 2 338.883 2.012 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001282742467 1325778018 /nfs/dbraw/zinc/77/80/18/1325778018.db2.gz ZMLVWSOLUSOZEE-HNNXBMFYSA-N 2 2 349.438 2.068 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cccc2Cl ZINC001491694508 1330209102 /nfs/dbraw/zinc/20/91/02/1330209102.db2.gz RLXIYDDXKUOTAR-LRDDRELGSA-N 2 2 332.835 2.318 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001491807808 1330277538 /nfs/dbraw/zinc/27/75/38/1330277538.db2.gz ARPVZONZDFFQQG-LLVKDONJSA-N 2 2 331.247 2.099 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001491807808 1330277540 /nfs/dbraw/zinc/27/75/40/1330277540.db2.gz ARPVZONZDFFQQG-LLVKDONJSA-N 2 2 331.247 2.099 10 0 EEAELP Cc1cc(C)c(C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(C)(C)C)c(C)[nH+]1 ZINC001492059041 1330433425 /nfs/dbraw/zinc/43/34/25/1330433425.db2.gz ASXPEMNBPXIWAH-CYBMUJFWSA-N 2 2 348.491 2.020 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001492447230 1331260604 /nfs/dbraw/zinc/26/06/04/1331260604.db2.gz AKZXNCSDYCXFGF-HUUCEWRRSA-N 2 2 344.459 2.406 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001492447230 1331260605 /nfs/dbraw/zinc/26/06/05/1331260605.db2.gz AKZXNCSDYCXFGF-HUUCEWRRSA-N 2 2 344.459 2.406 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001492447230 1331260611 /nfs/dbraw/zinc/26/06/11/1331260611.db2.gz AKZXNCSDYCXFGF-HUUCEWRRSA-N 2 2 344.459 2.406 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001492447230 1331260614 /nfs/dbraw/zinc/26/06/14/1331260614.db2.gz AKZXNCSDYCXFGF-HUUCEWRRSA-N 2 2 344.459 2.406 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H]1CCC(F)(F)C1 ZINC001316829159 1331919018 /nfs/dbraw/zinc/91/90/18/1331919018.db2.gz OLALLMGUPZCDFR-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[C@H]1CCC(F)(F)C1 ZINC001316829159 1331919023 /nfs/dbraw/zinc/91/90/23/1331919023.db2.gz OLALLMGUPZCDFR-BFHYXJOUSA-N 2 2 340.418 2.387 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[C@H]1CCC(F)(F)C1 ZINC001316829159 1331919026 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344.459 2.431 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](Cc1ccon1)C1CC1 ZINC001660753156 1354532685 /nfs/dbraw/zinc/53/26/85/1354532685.db2.gz NAOQQYQILWFKOE-GASCZTMLSA-N 2 2 334.464 2.018 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+](Cc1ccon1)C1CC1 ZINC001660753156 1354532688 /nfs/dbraw/zinc/53/26/88/1354532688.db2.gz NAOQQYQILWFKOE-GASCZTMLSA-N 2 2 334.464 2.018 10 0 EEAELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](Cc1ccon1)C1CC1 ZINC001660753156 1354532691 /nfs/dbraw/zinc/53/26/91/1354532691.db2.gz NAOQQYQILWFKOE-GASCZTMLSA-N 2 2 334.464 2.018 10 0 EEAELP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](Cc1ccon1)C1CC1 ZINC001660753156 1354532693 /nfs/dbraw/zinc/53/26/93/1354532693.db2.gz NAOQQYQILWFKOE-GASCZTMLSA-N 2 2 334.464 2.018 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001661065847 1354584230 /nfs/dbraw/zinc/58/42/30/1354584230.db2.gz FFOCOMRCVQNYSQ-MRXNPFEDSA-N 2 2 336.455 2.453 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CC12CC[NH+](CCCCCF)CC2 ZINC001661065847 1354584233 /nfs/dbraw/zinc/58/42/33/1354584233.db2.gz FFOCOMRCVQNYSQ-MRXNPFEDSA-N 2 2 336.455 2.453 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001661963646 1354729565 /nfs/dbraw/zinc/72/95/65/1354729565.db2.gz IQLJAJIIAMMLPB-LBPRGKRZSA-N 2 2 332.370 2.184 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC(CC[NH2+]C/C=C\Cl)CC1 ZINC001666227925 1355490446 /nfs/dbraw/zinc/49/04/46/1355490446.db2.gz XCKDOOMZNWQQIH-WAPJZHGLSA-N 2 2 338.883 2.324 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H](C)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001666932471 1355617464 /nfs/dbraw/zinc/61/74/64/1355617464.db2.gz GNLMYJZBZBRICY-NSHDSACASA-N 2 2 327.388 2.110 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cn2cc[nH+]c2)o1 ZINC001667312667 1355706599 /nfs/dbraw/zinc/70/65/99/1355706599.db2.gz MRBIKQBXOYOLBI-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc(F)ccc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001668223868 1355902598 /nfs/dbraw/zinc/90/25/98/1355902598.db2.gz HNVYNXCEXQCSGN-NSHDSACASA-N 2 2 338.814 2.429 10 0 EEAELP C[C@@H](CC[NH2+]C[C@H]1CCc2ccccc2C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001668224928 1355903285 /nfs/dbraw/zinc/90/32/85/1355903285.db2.gz YNFJGRYWRXOOJQ-HOTGVXAUSA-N 2 2 340.471 2.242 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001668454931 1355944651 /nfs/dbraw/zinc/94/46/51/1355944651.db2.gz FEXYRONXIKYQNM-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001668454931 1355944654 /nfs/dbraw/zinc/94/46/54/1355944654.db2.gz FEXYRONXIKYQNM-IAGOWNOFSA-N 2 2 326.444 2.460 10 0 EEAELP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001668528313 1355957479 /nfs/dbraw/zinc/95/74/79/1355957479.db2.gz DLLPPDVVWVWHGJ-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001668528313 1355957482 /nfs/dbraw/zinc/95/74/82/1355957482.db2.gz DLLPPDVVWVWHGJ-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCC(F)(F)F)c1cccc2[nH+]ccn21 ZINC001668929715 1356047885 /nfs/dbraw/zinc/04/78/85/1356047885.db2.gz JKJFNEXDVKUCBU-UPHRSURJSA-N 2 2 326.322 2.162 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CCOCC3CCC3)ccn12 ZINC001669559112 1356174841 /nfs/dbraw/zinc/17/48/41/1356174841.db2.gz AZWPUUIZROLTGG-AWEZNQCLSA-N 2 2 344.459 2.167 10 0 EEAELP CCOCCC[NH2+]C[C@]1(C)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001671753079 1356407591 /nfs/dbraw/zinc/40/75/91/1356407591.db2.gz NCLOMARUQSJGKU-IBGZPJMESA-N 2 2 344.459 2.431 10 0 EEAELP Cc1cc(C)c(C(=O)N(CCO)CC[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001672649901 1356562845 /nfs/dbraw/zinc/56/28/45/1356562845.db2.gz LKGHJBAHQFIILB-UHFFFAOYSA-N 2 2 347.503 2.467 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C2)s1 ZINC001672834103 1356596208 /nfs/dbraw/zinc/59/62/08/1356596208.db2.gz IQNDUJGBGHMWFQ-OAHLLOKOSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)s1 ZINC001672886140 1356607671 /nfs/dbraw/zinc/60/76/71/1356607671.db2.gz UPIQOVUQOFIGIQ-CQSZACIVSA-N 2 2 347.488 2.054 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H]3CC[C@H](C[NH2+]CCF)CC3)ccn12 ZINC001672960678 1356622869 /nfs/dbraw/zinc/62/28/69/1356622869.db2.gz IDVZHXCHFXUXON-KOMQPUFPSA-N 2 2 332.423 2.490 10 0 EEAELP COCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001673654967 1356728309 /nfs/dbraw/zinc/72/83/09/1356728309.db2.gz DUZCQXMJJCFVGB-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP COCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCn1cc[nH+]c1)C2 ZINC001673654967 1356728313 /nfs/dbraw/zinc/72/83/13/1356728313.db2.gz DUZCQXMJJCFVGB-IBGZPJMESA-N 2 2 348.491 2.014 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cccc(Cl)n1 ZINC001674711252 1356881863 /nfs/dbraw/zinc/88/18/63/1356881863.db2.gz XQCWVRBCJOWGMN-QWHCGFSZSA-N 2 2 335.839 2.005 10 0 EEAELP C[C@H](O)CCC[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CCCC1 ZINC001698798667 1405074403 /nfs/dbraw/zinc/07/44/03/1405074403.db2.gz ZKXSAHKCAQTKPL-AWEZNQCLSA-N 2 2 344.459 2.356 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)CCn1cc[nH+]c1 ZINC001699120624 1405275926 /nfs/dbraw/zinc/27/59/26/1405275926.db2.gz GDCUTGMWZICYQK-CYBMUJFWSA-N 2 2 335.839 2.006 10 0 EEAELP Cc1ncccc1/C=C/C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266992 787644832 /nfs/dbraw/zinc/64/48/32/787644832.db2.gz LKHZUUMBXZUDBM-GHOSXJJBSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1ncccc1/C=C/C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266992 787644839 /nfs/dbraw/zinc/64/48/39/787644839.db2.gz LKHZUUMBXZUDBM-GHOSXJJBSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000844334558 789009040 /nfs/dbraw/zinc/00/90/40/789009040.db2.gz JICRGQPLAVDOTR-IBGZPJMESA-N 2 2 332.488 2.163 10 0 EEAELP [NH3+]Cc1ccc(-c2noc(Cc3cn4c([nH+]3)CCCC4)n2)c(F)c1 ZINC000844914293 789455034 /nfs/dbraw/zinc/45/50/34/789455034.db2.gz GTNANNQHWUSTIQ-UHFFFAOYSA-N 2 2 327.363 2.458 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000923426396 789527994 /nfs/dbraw/zinc/52/79/94/789527994.db2.gz CTLGKLUIWUREQA-QAPCUYQASA-N 2 2 334.460 2.089 10 0 EEAELP c1ccc(-n2nnnc2C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000923504410 789688465 /nfs/dbraw/zinc/68/84/65/789688465.db2.gz XGPKZKFKIWCDIU-INIZCTEOSA-N 2 2 340.475 2.264 10 0 EEAELP CS(=O)(=O)C1CC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000716093333 795602220 /nfs/dbraw/zinc/60/22/20/795602220.db2.gz WEBWGDUFHVBESR-VWPKTGOWSA-N 2 2 348.512 2.062 10 0 EEAELP CS(=O)(=O)C1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000716093333 795602224 /nfs/dbraw/zinc/60/22/24/795602224.db2.gz WEBWGDUFHVBESR-VWPKTGOWSA-N 2 2 348.512 2.062 10 0 EEAELP OC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC2(CC1)OCCO2 ZINC000922624375 801526396 /nfs/dbraw/zinc/52/63/96/801526396.db2.gz PFDWWNPJFGFUBE-UHFFFAOYSA-N 2 2 349.456 2.072 10 0 EEAELP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccnc1 ZINC000922631277 801547697 /nfs/dbraw/zinc/54/76/97/801547697.db2.gz UTZSLLNRKJIPDH-QZTJIDSGSA-N 2 2 333.476 2.392 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](CNC(=O)Cn2cc[nH+]c2)C2CC2)cc1C ZINC001436832462 1088445613 /nfs/dbraw/zinc/44/56/13/1088445613.db2.gz KDTZHNXUFNGGKG-SFHVURJKSA-N 2 2 326.444 2.185 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[NH2+]Cc1oc(C)nc1C ZINC001437132930 1089122071 /nfs/dbraw/zinc/12/20/71/1089122071.db2.gz RLUUWQFONLDQCT-QWHCGFSZSA-N 2 2 347.463 2.296 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cc(F)ccc1F ZINC001437160152 1089168351 /nfs/dbraw/zinc/16/83/51/1089168351.db2.gz AUZCXEUCRPTQPD-OLZOCXBDSA-N 2 2 348.397 2.018 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1cccc(Cl)c1 ZINC001437207159 1089277541 /nfs/dbraw/zinc/27/75/41/1089277541.db2.gz RKOYAQDJBNUODO-DAXOMENPSA-N 2 2 346.862 2.472 10 0 EEAELP Cc1ccc(C)c([C@H](C)[N@H+](C)CCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001437542133 1089994760 /nfs/dbraw/zinc/99/47/60/1089994760.db2.gz RMZUNPVPZYTDTN-INIZCTEOSA-N 2 2 328.460 2.389 10 0 EEAELP Cc1ccc(C)c([C@H](C)[N@@H+](C)CCNC(=O)Cc2c[nH+]cn2C)c1 ZINC001437542133 1089994767 /nfs/dbraw/zinc/99/47/67/1089994767.db2.gz RMZUNPVPZYTDTN-INIZCTEOSA-N 2 2 328.460 2.389 10 0 EEAELP CC[N@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@@H]1CCC(F)(F)C1 ZINC001437646104 1090166374 /nfs/dbraw/zinc/16/63/74/1090166374.db2.gz YODFVQCBJYLYMA-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP CC[N@@H+](CCNC(=O)CCc1c[nH+]cn1C)C[C@@H]1CCC(F)(F)C1 ZINC001437646104 1090166375 /nfs/dbraw/zinc/16/63/75/1090166375.db2.gz YODFVQCBJYLYMA-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP CCCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001437889379 1090467863 /nfs/dbraw/zinc/46/78/63/1090467863.db2.gz HMBPREOAHKYZJR-QGZVFWFLSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001437889379 1090467866 /nfs/dbraw/zinc/46/78/66/1090467866.db2.gz HMBPREOAHKYZJR-QGZVFWFLSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)C[N@H+](C)C1CCC1)[C@@H]1CC[NH+](Cc2nocc2C)C1 ZINC001437889379 1090467868 /nfs/dbraw/zinc/46/78/68/1090467868.db2.gz HMBPREOAHKYZJR-QGZVFWFLSA-N 2 2 348.491 2.280 10 0 EEAELP CCCN(C(=O)C[N@@H+](C)C1CCC1)[C@@H]1CC[NH+](Cc2nocc2C)C1 ZINC001437889379 1090467870 /nfs/dbraw/zinc/46/78/70/1090467870.db2.gz HMBPREOAHKYZJR-QGZVFWFLSA-N 2 2 348.491 2.280 10 0 EEAELP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001445399641 1091146570 /nfs/dbraw/zinc/14/65/70/1091146570.db2.gz QWBDQYUNVHGOLJ-ZBFHGGJFSA-N 2 2 330.476 2.120 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCC(F)(F)F)c[nH+]1 ZINC001445744928 1091576230 /nfs/dbraw/zinc/57/62/30/1091576230.db2.gz DQHWTLOQJBQFQO-GFCCVEGCSA-N 2 2 334.386 2.316 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CCC(F)(F)F)c[nH+]1 ZINC001445744928 1091576235 /nfs/dbraw/zinc/57/62/35/1091576235.db2.gz DQHWTLOQJBQFQO-GFCCVEGCSA-N 2 2 334.386 2.316 10 0 EEAELP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001445754247 1091593311 /nfs/dbraw/zinc/59/33/11/1091593311.db2.gz AEHCYUAGKVJWNX-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001445754247 1091593319 /nfs/dbraw/zinc/59/33/19/1091593319.db2.gz AEHCYUAGKVJWNX-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445824422 1091706403 /nfs/dbraw/zinc/70/64/03/1091706403.db2.gz RHBJLZAPLIBHJA-GJZGRUSLSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001445824422 1091706421 /nfs/dbraw/zinc/70/64/21/1091706421.db2.gz RHBJLZAPLIBHJA-GJZGRUSLSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445824422 1091706435 /nfs/dbraw/zinc/70/64/35/1091706435.db2.gz RHBJLZAPLIBHJA-GJZGRUSLSA-N 2 2 346.450 2.407 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1ccccc1F)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001445824422 1091706440 /nfs/dbraw/zinc/70/64/40/1091706440.db2.gz RHBJLZAPLIBHJA-GJZGRUSLSA-N 2 2 346.450 2.407 10 0 EEAELP CCN(CC[NH2+][C@H](C)c1cnc(C)cn1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001439078813 1091726786 /nfs/dbraw/zinc/72/67/86/1091726786.db2.gz HKDIQPFEVZPTMB-JKSUJKDBSA-N 2 2 344.463 2.132 10 0 EEAELP C[C@@H](C[N@H+](C)[C@@H]1CCc2c1cc(F)cc2F)NC(=O)Cn1cc[nH+]c1 ZINC001445863292 1091783865 /nfs/dbraw/zinc/78/38/65/1091783865.db2.gz CMHRYWAZGMYRNP-YVEFUNNKSA-N 2 2 348.397 2.285 10 0 EEAELP C[C@@H](C[N@@H+](C)[C@@H]1CCc2c1cc(F)cc2F)NC(=O)Cn1cc[nH+]c1 ZINC001445863292 1091783872 /nfs/dbraw/zinc/78/38/72/1091783872.db2.gz CMHRYWAZGMYRNP-YVEFUNNKSA-N 2 2 348.397 2.285 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1c(F)cccc1F ZINC001439409201 1092174108 /nfs/dbraw/zinc/17/41/08/1092174108.db2.gz YQCRPVJRBFSFCR-CYBMUJFWSA-N 2 2 327.419 2.243 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H](C)C[NH+](C)Cc1c(F)cccc1F ZINC001439409201 1092174114 /nfs/dbraw/zinc/17/41/14/1092174114.db2.gz YQCRPVJRBFSFCR-CYBMUJFWSA-N 2 2 327.419 2.243 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1c(F)cccc1F ZINC001439409201 1092174119 /nfs/dbraw/zinc/17/41/19/1092174119.db2.gz YQCRPVJRBFSFCR-CYBMUJFWSA-N 2 2 327.419 2.243 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1c(F)cccc1F ZINC001439409201 1092174125 /nfs/dbraw/zinc/17/41/25/1092174125.db2.gz YQCRPVJRBFSFCR-CYBMUJFWSA-N 2 2 327.419 2.243 10 0 EEAELP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001439577246 1092470559 /nfs/dbraw/zinc/47/05/59/1092470559.db2.gz CJAUGAGEFLQYLQ-IAGOWNOFSA-N 2 2 326.444 2.452 10 0 EEAELP Cc1ccc(C)c([C@@H](C)[N@H+]2CC[C@@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001439577246 1092470566 /nfs/dbraw/zinc/47/05/66/1092470566.db2.gz CJAUGAGEFLQYLQ-IAGOWNOFSA-N 2 2 326.444 2.452 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)CCC[NH+]3CCCC3)C2)c(C)o1 ZINC001439870334 1092906773 /nfs/dbraw/zinc/90/67/73/1092906773.db2.gz JGMMCWXZMMGYNX-LJQANCHMSA-N 2 2 348.491 2.248 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@](C)(NC(=O)CCC[NH+]3CCCC3)C2)c(C)o1 ZINC001439870334 1092906783 /nfs/dbraw/zinc/90/67/83/1092906783.db2.gz JGMMCWXZMMGYNX-LJQANCHMSA-N 2 2 348.491 2.248 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC001448453801 1093464277 /nfs/dbraw/zinc/46/42/77/1093464277.db2.gz ZAQKXUCDKXRLNI-OSYLJGHBSA-N 2 2 344.846 2.100 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3)C[C@H]21 ZINC001448453801 1093464280 /nfs/dbraw/zinc/46/42/80/1093464280.db2.gz ZAQKXUCDKXRLNI-OSYLJGHBSA-N 2 2 344.846 2.100 10 0 EEAELP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001448544946 1093585515 /nfs/dbraw/zinc/58/55/15/1093585515.db2.gz PQMBIIDNTRFJJG-MRXNPFEDSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001448544946 1093585522 /nfs/dbraw/zinc/58/55/22/1093585522.db2.gz PQMBIIDNTRFJJG-MRXNPFEDSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)n1ccc(C[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2C)n1 ZINC001440492492 1093729776 /nfs/dbraw/zinc/72/97/76/1093729776.db2.gz WZJJDXSDMIBWKK-WBVHZDCISA-N 2 2 347.507 2.027 10 0 EEAELP CC(C)n1ccc(C[N@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)[C@H]2C)n1 ZINC001440492492 1093729783 /nfs/dbraw/zinc/72/97/83/1093729783.db2.gz WZJJDXSDMIBWKK-WBVHZDCISA-N 2 2 347.507 2.027 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cc(F)cc(F)c1 ZINC001440822129 1094075308 /nfs/dbraw/zinc/07/53/08/1094075308.db2.gz LKRPIOZXIOPSCW-QWHCGFSZSA-N 2 2 336.386 2.234 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001441140138 1094474806 /nfs/dbraw/zinc/47/48/06/1094474806.db2.gz SIPZIAWEMJZFSJ-KRWDZBQOSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1cccnc1C[N@H+]1CCCCC[C@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001441140138 1094474815 /nfs/dbraw/zinc/47/48/15/1094474815.db2.gz SIPZIAWEMJZFSJ-KRWDZBQOSA-N 2 2 341.459 2.148 10 0 EEAELP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001441165900 1094517024 /nfs/dbraw/zinc/51/70/24/1094517024.db2.gz HDXUTRLAPQHLGC-HUUCEWRRSA-N 2 2 332.492 2.245 10 0 EEAELP CC(C)(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001441197469 1094556894 /nfs/dbraw/zinc/55/68/94/1094556894.db2.gz BYVSKYCZWQAXBK-CVEARBPZSA-N 2 2 332.492 2.366 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001441221553 1094587541 /nfs/dbraw/zinc/58/75/41/1094587541.db2.gz DDGDRYGMPLMTSG-LSDHHAIUSA-N 2 2 342.443 2.089 10 0 EEAELP CC[C@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001441324759 1094781170 /nfs/dbraw/zinc/78/11/70/1094781170.db2.gz BQAVSJSUDDBZDK-HRCADAONSA-N 2 2 327.488 2.388 10 0 EEAELP CC[C@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001441324759 1094781181 /nfs/dbraw/zinc/78/11/81/1094781181.db2.gz BQAVSJSUDDBZDK-HRCADAONSA-N 2 2 327.488 2.388 10 0 EEAELP CC[C@H](F)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CC(C)(C)C ZINC001441324759 1094781189 /nfs/dbraw/zinc/78/11/89/1094781189.db2.gz BQAVSJSUDDBZDK-HRCADAONSA-N 2 2 327.488 2.388 10 0 EEAELP CC[C@H](F)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001441324759 1094781199 /nfs/dbraw/zinc/78/11/99/1094781199.db2.gz BQAVSJSUDDBZDK-HRCADAONSA-N 2 2 327.488 2.388 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441590114 1095417975 /nfs/dbraw/zinc/41/79/75/1095417975.db2.gz SNIPYNZFLUUXAN-KBPBESRZSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC001441590114 1095417982 /nfs/dbraw/zinc/41/79/82/1095417982.db2.gz SNIPYNZFLUUXAN-KBPBESRZSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(F)(F)F)[C@H]2C1 ZINC001441862193 1095966422 /nfs/dbraw/zinc/96/64/22/1095966422.db2.gz GLTOOECVFFRTDJ-FPMFFAJLSA-N 2 2 344.381 2.121 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC001441870783 1095984465 /nfs/dbraw/zinc/98/44/65/1095984465.db2.gz JLQWAIPVLVLZLT-DLBZAZTESA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001441966887 1096171925 /nfs/dbraw/zinc/17/19/25/1096171925.db2.gz RKTXPJLOXWRMPH-HUUCEWRRSA-N 2 2 346.479 2.080 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CCc1c(F)cccc1Cl ZINC001442068421 1096280877 /nfs/dbraw/zinc/28/08/77/1096280877.db2.gz JLDTYQVNRBQPTR-GFCCVEGCSA-N 2 2 338.814 2.013 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001443630274 1098126486 /nfs/dbraw/zinc/12/64/86/1098126486.db2.gz CUCGXWOMSSNKLT-UHFFFAOYSA-N 2 2 338.455 2.386 10 0 EEAELP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001443853860 1098373964 /nfs/dbraw/zinc/37/39/64/1098373964.db2.gz JVPMULISSYROBO-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001443853860 1098373969 /nfs/dbraw/zinc/37/39/69/1098373969.db2.gz JVPMULISSYROBO-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001443959591 1098478249 /nfs/dbraw/zinc/47/82/49/1098478249.db2.gz GTAKXMBJGVTUJX-LSDHHAIUSA-N 2 2 344.459 2.247 10 0 EEAELP Cc1nc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)oc1C ZINC001444117803 1098651895 /nfs/dbraw/zinc/65/18/95/1098651895.db2.gz MOTMMCJTGJUNQS-QFBILLFUSA-N 2 2 348.491 2.150 10 0 EEAELP Cc1nc(C[NH2+]C[C@@](C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)C2CC2)oc1C ZINC001444117803 1098651903 /nfs/dbraw/zinc/65/19/03/1098651903.db2.gz MOTMMCJTGJUNQS-QFBILLFUSA-N 2 2 348.491 2.150 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1cc(C)on1 ZINC001479641912 1098671661 /nfs/dbraw/zinc/67/16/61/1098671661.db2.gz RWPOLHZACFRGHZ-GVDBMIGSSA-N 2 2 336.480 2.038 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1cc(C)on1 ZINC001479641912 1098671665 /nfs/dbraw/zinc/67/16/65/1098671665.db2.gz RWPOLHZACFRGHZ-GVDBMIGSSA-N 2 2 336.480 2.038 10 0 EEAELP Cc1nc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)co1 ZINC001479781459 1098969865 /nfs/dbraw/zinc/96/98/65/1098969865.db2.gz PWXGBMDAMIIIBW-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)co1 ZINC001479781459 1098969869 /nfs/dbraw/zinc/96/98/69/1098969869.db2.gz PWXGBMDAMIIIBW-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2CC(C)C)co1 ZINC001479781459 1098969876 /nfs/dbraw/zinc/96/98/76/1098969876.db2.gz PWXGBMDAMIIIBW-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2CC(C)C)co1 ZINC001479781459 1098969885 /nfs/dbraw/zinc/96/98/85/1098969885.db2.gz PWXGBMDAMIIIBW-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccsc1 ZINC001444649532 1099482598 /nfs/dbraw/zinc/48/25/98/1099482598.db2.gz XIJOBWSFEDZJCN-ZDUSSCGKSA-N 2 2 333.457 2.331 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]Cc1c(F)cccc1F)C1CC1 ZINC001480065195 1099597351 /nfs/dbraw/zinc/59/73/51/1099597351.db2.gz QZYVACXPHQRKGR-QGZVFWFLSA-N 2 2 348.397 2.154 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)on2)C1 ZINC001480205873 1099810713 /nfs/dbraw/zinc/81/07/13/1099810713.db2.gz RGBZNEGMHGOUMY-YUELXQCFSA-N 2 2 345.447 2.130 10 0 EEAELP Cc1ccncc1C[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C(C)C ZINC001444908454 1099978073 /nfs/dbraw/zinc/97/80/73/1099978073.db2.gz DULZVRNJHUJJNY-QAPCUYQASA-N 2 2 343.475 2.222 10 0 EEAELP Cc1ccncc1C[NH2+][C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)C(C)C ZINC001444908454 1099978081 /nfs/dbraw/zinc/97/80/81/1099978081.db2.gz DULZVRNJHUJJNY-QAPCUYQASA-N 2 2 343.475 2.222 10 0 EEAELP Cc1cc(C[NH2+][C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)C)no1 ZINC001444921361 1100010029 /nfs/dbraw/zinc/01/00/29/1100010029.db2.gz WBNIFJODJUHRAQ-CJNGLKHVSA-N 2 2 333.436 2.061 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC001480300646 1100018169 /nfs/dbraw/zinc/01/81/69/1100018169.db2.gz PCLMBSJEJMVLNV-GOSISDBHSA-N 2 2 340.471 2.034 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001445074877 1100284488 /nfs/dbraw/zinc/28/44/88/1100284488.db2.gz MCJRQHZYQIDNIG-SFHVURJKSA-N 2 2 326.444 2.338 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001445074877 1100284496 /nfs/dbraw/zinc/28/44/96/1100284496.db2.gz MCJRQHZYQIDNIG-SFHVURJKSA-N 2 2 326.444 2.338 10 0 EEAELP CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001480489133 1100299202 /nfs/dbraw/zinc/29/92/02/1100299202.db2.gz DEUYVGZEPZJDSF-QAPCUYQASA-N 2 2 340.471 2.302 10 0 EEAELP Cc1cc(F)ccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001480490865 1100303010 /nfs/dbraw/zinc/30/30/10/1100303010.db2.gz UEDHKTZEEHGVCP-GOEBONIOSA-N 2 2 344.434 2.188 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCCn1cc[nH+]c1 ZINC001445114826 1100357412 /nfs/dbraw/zinc/35/74/12/1100357412.db2.gz OMFHEQWNKFAYMV-JKSUJKDBSA-N 2 2 345.447 2.034 10 0 EEAELP C[C@@H](F)CC[NH2+]CC1(NC(=O)[C@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001495170370 1100844987 /nfs/dbraw/zinc/84/49/87/1100844987.db2.gz ZYGIWQUJZWKNGR-CABCVRRESA-N 2 2 336.455 2.212 10 0 EEAELP 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348.491 2.000 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]c[nH+]c3C)CC[C@H]21 ZINC001568515467 1124578915 /nfs/dbraw/zinc/57/89/15/1124578915.db2.gz LISXTJACEOYVIK-SJLPKXTDSA-N 2 2 348.491 2.000 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001568687526 1124699340 /nfs/dbraw/zinc/69/93/40/1124699340.db2.gz UJCOPAPTCVQDGF-ZIAGYGMSSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001568687526 1124699343 /nfs/dbraw/zinc/69/93/43/1124699343.db2.gz UJCOPAPTCVQDGF-ZIAGYGMSSA-N 2 2 332.423 2.412 10 0 EEAELP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001568747313 1124760519 /nfs/dbraw/zinc/76/05/19/1124760519.db2.gz KLHDGEKWPGKFTO-UHFFFAOYSA-N 2 2 336.386 2.259 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)nc1C)C(=O)CCc1c[nH+]cn1C ZINC001568795570 1124809300 /nfs/dbraw/zinc/80/93/00/1124809300.db2.gz XUNZPOYPGSAQLQ-UHFFFAOYSA-N 2 2 343.475 2.003 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]Cc3cnccc3C)ccn12 ZINC001568849976 1124868497 /nfs/dbraw/zinc/86/84/97/1124868497.db2.gz DCOYOTFETAASAR-ONEGZZNKSA-N 2 2 349.438 2.422 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001565919930 1125456396 /nfs/dbraw/zinc/45/63/96/1125456396.db2.gz FMEQFDIXIMBOSR-UONOGXRCSA-N 2 2 347.850 2.006 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183563063 529761523 /nfs/dbraw/zinc/76/15/23/529761523.db2.gz ASFSAVCGRZADNH-AWEZNQCLSA-N 2 2 327.432 2.384 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)NC3CCCCC3)CC2)CCO1 ZINC000067400095 215140861 /nfs/dbraw/zinc/14/08/61/215140861.db2.gz ZTJXGLROFRECNA-INIZCTEOSA-N 2 2 337.508 2.011 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)NC3CCCCC3)CC2)CCO1 ZINC000067400095 215140864 /nfs/dbraw/zinc/14/08/64/215140864.db2.gz ZTJXGLROFRECNA-INIZCTEOSA-N 2 2 337.508 2.011 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000290902444 539732688 /nfs/dbraw/zinc/73/26/88/539732688.db2.gz VHOHWZHUWFURKG-KRWDZBQOSA-N 2 2 341.459 2.274 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000290902444 539732690 /nfs/dbraw/zinc/73/26/90/539732690.db2.gz VHOHWZHUWFURKG-KRWDZBQOSA-N 2 2 341.459 2.274 10 0 EEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc(Br)c1 ZINC000040749966 213382432 /nfs/dbraw/zinc/38/24/32/213382432.db2.gz DWKCLHTVJDZOHO-QXMXGUDHSA-N 2 2 338.249 2.342 10 0 EEAELP [NH3+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(Br)c1 ZINC000040749966 213382434 /nfs/dbraw/zinc/38/24/34/213382434.db2.gz DWKCLHTVJDZOHO-QXMXGUDHSA-N 2 2 338.249 2.342 10 0 EEAELP COc1ccc(-c2[nH+]c3ccc(N)cn3c2C[N@H+](C)CCO)cc1 ZINC000036273221 213079664 /nfs/dbraw/zinc/07/96/64/213079664.db2.gz WRVIFUSBZBPNRK-UHFFFAOYSA-N 2 2 326.400 2.016 10 0 EEAELP COc1ccc(-c2[nH+]c3ccc(N)cn3c2C[N@@H+](C)CCO)cc1 ZINC000036273221 213079667 /nfs/dbraw/zinc/07/96/67/213079667.db2.gz WRVIFUSBZBPNRK-UHFFFAOYSA-N 2 2 326.400 2.016 10 0 EEAELP C[C@H]1CCc2c(sc3nc(C[NH+](C)C)n(CC[NH+](C)C)c(=O)c23)C1 ZINC000036069851 213058775 /nfs/dbraw/zinc/05/87/75/213058775.db2.gz PQBUAJFYZPTIQZ-LBPRGKRZSA-N 2 2 348.516 2.206 10 0 EEAELP C(C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1nc2c(s1)CCCC2 ZINC000422906336 240285313 /nfs/dbraw/zinc/28/53/13/240285313.db2.gz JQQAJYOXQVQJNP-QAPCUYQASA-N 2 2 335.517 2.311 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000423023313 240332354 /nfs/dbraw/zinc/33/23/54/240332354.db2.gz JMGIBLDRRZKPDE-FOZNTRSISA-N 2 2 339.430 2.067 10 0 EEAELP Fc1ccc([C@@H]2C[C@H]([NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CCO2)cc1 ZINC000423039332 240341278 /nfs/dbraw/zinc/34/12/78/240341278.db2.gz QIYJSCYQSRGWPD-FCGDIQPGSA-N 2 2 334.435 2.402 10 0 EEAELP Fc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000423140967 240381168 /nfs/dbraw/zinc/38/11/68/240381168.db2.gz ZYFJJCIBWKXAAL-HUUCEWRRSA-N 2 2 330.350 2.284 10 0 EEAELP CC[C@@H](C)NC(=O)CC[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000236870436 242390571 /nfs/dbraw/zinc/39/05/71/242390571.db2.gz ULGXYRVOODOFPV-QGZVFWFLSA-N 2 2 339.524 2.164 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(-c2ccccc2)nn1C ZINC000453078285 243393071 /nfs/dbraw/zinc/39/30/71/243393071.db2.gz CGQQTZMPDJYZNQ-RDJZCZTQSA-N 2 2 328.460 2.194 10 0 EEAELP Brc1ccccc1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422829993 532972546 /nfs/dbraw/zinc/97/25/46/532972546.db2.gz QJIOIRGDWSMTOC-HZPDHXFCSA-N 2 2 339.277 2.348 10 0 EEAELP C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346333791 143872398 /nfs/dbraw/zinc/87/23/98/143872398.db2.gz JMTPQQRTHKZNIW-RYUDHWBXSA-N 2 2 349.385 2.370 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)NCc2[nH+]ccn2CC(C)C)CC1 ZINC000073952968 292173588 /nfs/dbraw/zinc/17/35/88/292173588.db2.gz OWGTYTOXMLZTMR-UHFFFAOYSA-N 2 2 335.496 2.460 10 0 EEAELP Cc1ccc(N2CCC([NH2+]Cc3cn(C(C)(C)C)nn3)CC2)[nH+]c1 ZINC000191183972 152241243 /nfs/dbraw/zinc/24/12/43/152241243.db2.gz BDXWBIHONWIQPQ-UHFFFAOYSA-N 2 2 328.464 2.495 10 0 EEAELP COc1ccc(OC)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000374322441 154050421 /nfs/dbraw/zinc/05/04/21/154050421.db2.gz CZZOZLDOGHXFMO-VQIMIIECSA-N 2 2 347.503 2.162 10 0 EEAELP COc1ccc(OC)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000374322441 154050426 /nfs/dbraw/zinc/05/04/26/154050426.db2.gz CZZOZLDOGHXFMO-VQIMIIECSA-N 2 2 347.503 2.162 10 0 EEAELP CCc1nn(C)c(CC)c1C[NH+]1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000092091321 159214233 /nfs/dbraw/zinc/21/42/33/159214233.db2.gz SQGPBOLYJXCWOO-OAHLLOKOSA-N 2 2 334.508 2.230 10 0 EEAELP CCc1nn(C)c(CC)c1C[NH+]1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000092091321 159214234 /nfs/dbraw/zinc/21/42/34/159214234.db2.gz SQGPBOLYJXCWOO-OAHLLOKOSA-N 2 2 334.508 2.230 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193632754 160184651 /nfs/dbraw/zinc/18/46/51/160184651.db2.gz CQFTZZGWIWAQFH-BMFZPTHFSA-N 2 2 335.879 2.353 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193632754 160184653 /nfs/dbraw/zinc/18/46/53/160184653.db2.gz CQFTZZGWIWAQFH-BMFZPTHFSA-N 2 2 335.879 2.353 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193632754 160184655 /nfs/dbraw/zinc/18/46/55/160184655.db2.gz CQFTZZGWIWAQFH-BMFZPTHFSA-N 2 2 335.879 2.353 10 0 EEAELP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193632754 160184656 /nfs/dbraw/zinc/18/46/56/160184656.db2.gz CQFTZZGWIWAQFH-BMFZPTHFSA-N 2 2 335.879 2.353 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000245423223 160233818 /nfs/dbraw/zinc/23/38/18/160233818.db2.gz QVRSGVRLZRWKHH-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000245423223 160233819 /nfs/dbraw/zinc/23/38/19/160233819.db2.gz QVRSGVRLZRWKHH-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000245423223 160233820 /nfs/dbraw/zinc/23/38/20/160233820.db2.gz QVRSGVRLZRWKHH-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000245423223 160233821 /nfs/dbraw/zinc/23/38/21/160233821.db2.gz QVRSGVRLZRWKHH-ZWKOTPCHSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000342806215 161092060 /nfs/dbraw/zinc/09/20/60/161092060.db2.gz OISZMIYPTGGAFS-CEXWTWQISA-N 2 2 334.504 2.399 10 0 EEAELP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000342806215 161092061 /nfs/dbraw/zinc/09/20/61/161092061.db2.gz OISZMIYPTGGAFS-CEXWTWQISA-N 2 2 334.504 2.399 10 0 EEAELP C[C@@H]1C[N@H+](CCc2cccc(F)c2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343722406 161162231 /nfs/dbraw/zinc/16/22/31/161162231.db2.gz FEOIICNZJNTJJI-CRAIPNDOSA-N 2 2 337.458 2.465 10 0 EEAELP C[C@@H]1C[N@@H+](CCc2cccc(F)c2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343722406 161162232 /nfs/dbraw/zinc/16/22/32/161162232.db2.gz FEOIICNZJNTJJI-CRAIPNDOSA-N 2 2 337.458 2.465 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1=O ZINC000346697726 161393453 /nfs/dbraw/zinc/39/34/53/161393453.db2.gz GJUNEIXSFPZUPV-CGHHPOIWSA-N 2 2 327.472 2.248 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000346697726 161393454 /nfs/dbraw/zinc/39/34/54/161393454.db2.gz GJUNEIXSFPZUPV-CGHHPOIWSA-N 2 2 327.472 2.248 10 0 EEAELP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000355410800 163180052 /nfs/dbraw/zinc/18/00/52/163180052.db2.gz LINITQOQSKTSNP-HOTGVXAUSA-N 2 2 326.444 2.420 10 0 EEAELP CCOC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)o1 ZINC000355653729 163260333 /nfs/dbraw/zinc/26/03/33/163260333.db2.gz QZTFNDXAJDYNFL-UHFFFAOYSA-N 2 2 345.399 2.182 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367850410 166011278 /nfs/dbraw/zinc/01/12/78/166011278.db2.gz QFQZPPKWJYHLMS-RDTXWAMCSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367850410 166011280 /nfs/dbraw/zinc/01/12/80/166011280.db2.gz QFQZPPKWJYHLMS-RDTXWAMCSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367850410 166011282 /nfs/dbraw/zinc/01/12/82/166011282.db2.gz QFQZPPKWJYHLMS-RDTXWAMCSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367850410 166011285 /nfs/dbraw/zinc/01/12/85/166011285.db2.gz QFQZPPKWJYHLMS-RDTXWAMCSA-N 2 2 335.879 2.372 10 0 EEAELP Cc1nc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cs1 ZINC000360605852 164350463 /nfs/dbraw/zinc/35/04/63/164350463.db2.gz WACOYPQPCIUCBY-QGZVFWFLSA-N 2 2 348.516 2.331 10 0 EEAELP Cc1nc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cs1 ZINC000360605852 164350464 /nfs/dbraw/zinc/35/04/64/164350464.db2.gz WACOYPQPCIUCBY-QGZVFWFLSA-N 2 2 348.516 2.331 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N1CCn2cc(C)[nH+]c2C1)c1ccco1 ZINC000364683866 165230796 /nfs/dbraw/zinc/23/07/96/165230796.db2.gz GWLPLKLHRQHGLB-HNNXBMFYSA-N 2 2 345.447 2.393 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000369140876 166198801 /nfs/dbraw/zinc/19/88/01/166198801.db2.gz WKXYEICNPHZGPK-UHFFFAOYSA-N 2 2 331.464 2.247 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000376319405 167303674 /nfs/dbraw/zinc/30/36/74/167303674.db2.gz DLTUHNDMUHYJCQ-HZPDHXFCSA-N 2 2 333.480 2.307 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123226511 222239522 /nfs/dbraw/zinc/23/95/22/222239522.db2.gz UMUVPHFBSSPKNI-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123226511 222239523 /nfs/dbraw/zinc/23/95/23/222239523.db2.gz UMUVPHFBSSPKNI-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123226511 222239524 /nfs/dbraw/zinc/23/95/24/222239524.db2.gz UMUVPHFBSSPKNI-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123226511 222239528 /nfs/dbraw/zinc/23/95/28/222239528.db2.gz UMUVPHFBSSPKNI-WBVHZDCISA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000343854654 288097848 /nfs/dbraw/zinc/09/78/48/288097848.db2.gz ACAVPHATSGIRLQ-OLMNPRSZSA-N 2 2 337.895 2.253 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000343854654 288097851 /nfs/dbraw/zinc/09/78/51/288097851.db2.gz ACAVPHATSGIRLQ-OLMNPRSZSA-N 2 2 337.895 2.253 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000297359971 294222178 /nfs/dbraw/zinc/22/21/78/294222178.db2.gz DVAOGVBMGGTKPU-UHFFFAOYSA-N 2 2 329.448 2.224 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000297359971 294222180 /nfs/dbraw/zinc/22/21/80/294222180.db2.gz DVAOGVBMGGTKPU-UHFFFAOYSA-N 2 2 329.448 2.224 10 0 EEAELP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000333230648 312115845 /nfs/dbraw/zinc/11/58/45/312115845.db2.gz BXCYWFUQRTXHLO-UHFFFAOYSA-N 2 2 340.427 2.176 10 0 EEAELP O[C@@H]1CC[N@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2(CCC2)C1 ZINC000421014614 314026174 /nfs/dbraw/zinc/02/61/74/314026174.db2.gz WFDABCCOBCPYKO-LJQANCHMSA-N 2 2 330.472 2.398 10 0 EEAELP O[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCOCC3)c2)C2(CCC2)C1 ZINC000421014614 314026176 /nfs/dbraw/zinc/02/61/76/314026176.db2.gz WFDABCCOBCPYKO-LJQANCHMSA-N 2 2 330.472 2.398 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@]2(C)CC2(F)F)([NH+]2CCCCC2)CC1 ZINC000421488160 314108850 /nfs/dbraw/zinc/10/88/50/314108850.db2.gz ZXZRXORERMHXJA-HNNXBMFYSA-N 2 2 329.435 2.098 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000514850293 316430329 /nfs/dbraw/zinc/43/03/29/316430329.db2.gz UGQQLRNRQYZQJC-KRWDZBQOSA-N 2 2 345.491 2.129 10 0 EEAELP CC(C)CO[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000525165147 317041350 /nfs/dbraw/zinc/04/13/50/317041350.db2.gz DWSHWWRKTUYGSR-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP CCOCC[NH+]1CCN(Cc2c[nH+]cn2Cc2ccccc2)CC1 ZINC000527324351 317185252 /nfs/dbraw/zinc/18/52/52/317185252.db2.gz SQQNFAAVFLZJOB-UHFFFAOYSA-N 2 2 328.460 2.086 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000527775374 317261514 /nfs/dbraw/zinc/26/15/14/317261514.db2.gz SUHKGMODUTUAJE-HHXXYDBFSA-N 2 2 329.488 2.484 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000527775374 317261518 /nfs/dbraw/zinc/26/15/18/317261518.db2.gz SUHKGMODUTUAJE-HHXXYDBFSA-N 2 2 329.488 2.484 10 0 EEAELP C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2cc(F)ccc12 ZINC000528134608 317325882 /nfs/dbraw/zinc/32/58/82/317325882.db2.gz RZZCBJQYMKPWME-IBGZPJMESA-N 2 2 345.418 2.402 10 0 EEAELP C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNc1cc[nH+]c2cc(F)ccc12 ZINC000528134608 317325884 /nfs/dbraw/zinc/32/58/84/317325884.db2.gz RZZCBJQYMKPWME-IBGZPJMESA-N 2 2 345.418 2.402 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530218440 317700980 /nfs/dbraw/zinc/70/09/80/317700980.db2.gz WDMTXRDXBCGGSL-ZWKOTPCHSA-N 2 2 341.459 2.292 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000541785562 318109621 /nfs/dbraw/zinc/10/96/21/318109621.db2.gz BWLXFUNRXQJGMI-MRXNPFEDSA-N 2 2 347.438 2.242 10 0 EEAELP c1cc(N[C@H]2CCCOC2)cc2[nH+]c(CC[NH+]3CCOCC3)[nH]c12 ZINC000541852929 318111866 /nfs/dbraw/zinc/11/18/66/318111866.db2.gz ZUZDGEYRGNPSPW-HNNXBMFYSA-N 2 2 330.432 2.029 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)c1 ZINC000566122078 319248055 /nfs/dbraw/zinc/24/80/55/319248055.db2.gz XCQTZWQBQARSQG-AWEZNQCLSA-N 2 2 343.349 2.011 10 0 EEAELP C[C@@H]([NH2+][C@@H]1COCC1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000566778918 319319386 /nfs/dbraw/zinc/31/93/86/319319386.db2.gz FCCALGOWTNNLBC-MLGOLLRUSA-N 2 2 328.416 2.418 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000580463146 324069239 /nfs/dbraw/zinc/06/92/39/324069239.db2.gz FYULKYLUZLLWGH-AWEZNQCLSA-N 2 2 335.879 2.156 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+]2CCc3c(Cl)cccc3C2)C1 ZINC000580463146 324069246 /nfs/dbraw/zinc/06/92/46/324069246.db2.gz FYULKYLUZLLWGH-AWEZNQCLSA-N 2 2 335.879 2.156 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000580463146 324069252 /nfs/dbraw/zinc/06/92/52/324069252.db2.gz FYULKYLUZLLWGH-AWEZNQCLSA-N 2 2 335.879 2.156 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000580463146 324069258 /nfs/dbraw/zinc/06/92/58/324069258.db2.gz FYULKYLUZLLWGH-AWEZNQCLSA-N 2 2 335.879 2.156 10 0 EEAELP C[C@@H](Nc1nc2ccccc2n2c[nH+]cc12)[C@H](C)[NH+]1CCOCC1 ZINC000623941355 450644112 /nfs/dbraw/zinc/64/41/12/450644112.db2.gz PMKYTWWAXVCPFE-KGLIPLIRSA-N 2 2 325.416 2.404 10 0 EEAELP CCc1nc(NC[C@@H]2C[N@H+](Cc3ccncc3)CCO2)cc(C)[nH+]1 ZINC000624708292 450958894 /nfs/dbraw/zinc/95/88/94/450958894.db2.gz SZZNLJNBLMFPGM-MRXNPFEDSA-N 2 2 327.432 2.055 10 0 EEAELP CCc1nc(NC[C@@H]2C[N@@H+](Cc3ccncc3)CCO2)cc(C)[nH+]1 ZINC000624708292 450958898 /nfs/dbraw/zinc/95/88/98/450958898.db2.gz SZZNLJNBLMFPGM-MRXNPFEDSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000358400588 465100813 /nfs/dbraw/zinc/10/08/13/465100813.db2.gz MYVGUJUJYXPAJI-UXIGCNINSA-N 2 2 341.377 2.350 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000358400588 465100817 /nfs/dbraw/zinc/10/08/17/465100817.db2.gz MYVGUJUJYXPAJI-UXIGCNINSA-N 2 2 341.377 2.350 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000341359795 465130156 /nfs/dbraw/zinc/13/01/56/465130156.db2.gz SEPJEYLZKQMCJY-IRXDYDNUSA-N 2 2 345.491 2.176 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC000339285122 465188710 /nfs/dbraw/zinc/18/87/10/465188710.db2.gz SUEKQPBRBWAASL-TVFCKZIOSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC000339285122 465188712 /nfs/dbraw/zinc/18/87/12/465188712.db2.gz SUEKQPBRBWAASL-TVFCKZIOSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000339285122 465188720 /nfs/dbraw/zinc/18/87/20/465188720.db2.gz SUEKQPBRBWAASL-TVFCKZIOSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC000339285122 465188723 /nfs/dbraw/zinc/18/87/23/465188723.db2.gz SUEKQPBRBWAASL-TVFCKZIOSA-N 2 2 339.524 2.065 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000337275831 465280437 /nfs/dbraw/zinc/28/04/37/465280437.db2.gz GDQRBYBBCYSWBD-IXDOHACOSA-N 2 2 330.476 2.300 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000337275831 465280439 /nfs/dbraw/zinc/28/04/39/465280439.db2.gz GDQRBYBBCYSWBD-IXDOHACOSA-N 2 2 330.476 2.300 10 0 EEAELP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000568238558 468306150 /nfs/dbraw/zinc/30/61/50/468306150.db2.gz XLBHKTADGDXZMG-OAHLLOKOSA-N 2 2 326.444 2.468 10 0 EEAELP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000089587785 462694944 /nfs/dbraw/zinc/69/49/44/462694944.db2.gz TXEHZMKBFHLRAI-FPOVZHCZSA-N 2 2 343.515 2.176 10 0 EEAELP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000089587785 462694950 /nfs/dbraw/zinc/69/49/50/462694950.db2.gz TXEHZMKBFHLRAI-FPOVZHCZSA-N 2 2 343.515 2.176 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000048147951 462865459 /nfs/dbraw/zinc/86/54/59/462865459.db2.gz YSTPXGACUUYNOE-MRXNPFEDSA-N 2 2 348.491 2.371 10 0 EEAELP CCC[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)[NH+](C)C ZINC000136046251 463215116 /nfs/dbraw/zinc/21/51/16/463215116.db2.gz MPODFFIXCNCXSR-UXLLHSPISA-N 2 2 348.491 2.042 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000123449086 463342555 /nfs/dbraw/zinc/34/25/55/463342555.db2.gz OGMCPIHLBFEJJA-YOEHRIQHSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[N@H+]1C ZINC000123449086 463342563 /nfs/dbraw/zinc/34/25/63/463342563.db2.gz OGMCPIHLBFEJJA-YOEHRIQHSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123449086 463342567 /nfs/dbraw/zinc/34/25/67/463342567.db2.gz OGMCPIHLBFEJJA-YOEHRIQHSA-N 2 2 337.895 2.413 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)CC(=O)NCCc2ccc(Cl)cc2)CC[NH+]1C ZINC000123449086 463342572 /nfs/dbraw/zinc/34/25/72/463342572.db2.gz OGMCPIHLBFEJJA-YOEHRIQHSA-N 2 2 337.895 2.413 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccccc2c1=O ZINC000097200611 463346359 /nfs/dbraw/zinc/34/63/59/463346359.db2.gz ICYLWKDTBIGFDA-OAHLLOKOSA-N 2 2 349.438 2.263 10 0 EEAELP Cn1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nc2ccccc2c1=O ZINC000097200611 463346362 /nfs/dbraw/zinc/34/63/62/463346362.db2.gz ICYLWKDTBIGFDA-OAHLLOKOSA-N 2 2 349.438 2.263 10 0 EEAELP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123788130 463368816 /nfs/dbraw/zinc/36/88/16/463368816.db2.gz ZQAXRFGINUOSPF-AQFXKWCLSA-N 2 2 332.492 2.370 10 0 EEAELP CC1CCC(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123788130 463368820 /nfs/dbraw/zinc/36/88/20/463368820.db2.gz ZQAXRFGINUOSPF-AQFXKWCLSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000151286649 463506542 /nfs/dbraw/zinc/50/65/42/463506542.db2.gz IFOOKFMWPOHXKO-NVXWUHKLSA-N 2 2 334.460 2.345 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151312049 463511437 /nfs/dbraw/zinc/51/14/37/463511437.db2.gz SXYGBPBNLODICE-QFBILLFUSA-N 3 2 328.460 2.370 10 0 EEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(-n2ccnc2)cc1 ZINC000151312049 463511441 /nfs/dbraw/zinc/51/14/41/463511441.db2.gz SXYGBPBNLODICE-QFBILLFUSA-N 2 2 328.460 2.370 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)NCCc1cccs1 ZINC000083967508 463568556 /nfs/dbraw/zinc/56/85/56/463568556.db2.gz LXAWLQJHHXRHGR-UONOGXRCSA-N 2 2 332.473 2.159 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000579489049 468366992 /nfs/dbraw/zinc/36/69/92/468366992.db2.gz GUMWUIUGVYJOBS-SJORKVTESA-N 2 2 326.868 2.320 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000579489049 468366996 /nfs/dbraw/zinc/36/69/96/468366996.db2.gz GUMWUIUGVYJOBS-SJORKVTESA-N 2 2 326.868 2.320 10 0 EEAELP CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000112743781 463706818 /nfs/dbraw/zinc/70/68/18/463706818.db2.gz KXWZBYKRFZQHJP-UHFFFAOYSA-N 2 2 341.459 2.169 10 0 EEAELP C[NH+](C)[C@H]1CCN(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)C1 ZINC000170828935 463716029 /nfs/dbraw/zinc/71/60/29/463716029.db2.gz UNHCKTHPKXIIJY-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1)C[NH+]1CCOCC1 ZINC000269039608 463854164 /nfs/dbraw/zinc/85/41/64/463854164.db2.gz UYVIWMOMKXHDCK-IRXDYDNUSA-N 2 2 328.460 2.491 10 0 EEAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000270966673 464272484 /nfs/dbraw/zinc/27/24/84/464272484.db2.gz BBMVHONHKVCTNG-BBWFWOEESA-N 2 2 339.430 2.412 10 0 EEAELP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000270966673 464272492 /nfs/dbraw/zinc/27/24/92/464272492.db2.gz BBMVHONHKVCTNG-BBWFWOEESA-N 2 2 339.430 2.412 10 0 EEAELP C[NH+]1CCC(CNC(=O)Nc2nccs2)([NH+]2CCCCC2)CC1 ZINC000174242190 464382253 /nfs/dbraw/zinc/38/22/53/464382253.db2.gz RBQPEIPDUYNMGQ-UHFFFAOYSA-N 2 2 337.493 2.215 10 0 EEAELP C[NH+]1CCC([C@H]2CCN(C(=O)c3cc(-n4cc[nH+]c4)ccn3)C2)CC1 ZINC000272198465 464515289 /nfs/dbraw/zinc/51/52/89/464515289.db2.gz ADJKATKFKAKRKZ-INIZCTEOSA-N 2 2 339.443 2.071 10 0 EEAELP COC(=O)c1cnoc1C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000285346264 464531496 /nfs/dbraw/zinc/53/14/96/464531496.db2.gz PQECVMILPCRYMA-ZDUSSCGKSA-N 2 2 344.415 2.374 10 0 EEAELP COC(=O)c1cnoc1C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000285346264 464531501 /nfs/dbraw/zinc/53/15/01/464531501.db2.gz PQECVMILPCRYMA-ZDUSSCGKSA-N 2 2 344.415 2.374 10 0 EEAELP COC(=O)c1cnoc1C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000285346261 464532083 /nfs/dbraw/zinc/53/20/83/464532083.db2.gz PQECVMILPCRYMA-CYBMUJFWSA-N 2 2 344.415 2.374 10 0 EEAELP COC(=O)c1cnoc1C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000285346261 464532091 /nfs/dbraw/zinc/53/20/91/464532091.db2.gz PQECVMILPCRYMA-CYBMUJFWSA-N 2 2 344.415 2.374 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc(C)n2C2CC2)[C@@H](C)C1 ZINC000249442389 464875523 /nfs/dbraw/zinc/87/55/23/464875523.db2.gz MKEMDVQNGXCBBW-WMLDXEAASA-N 2 2 335.496 2.148 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nnc(C)n2C2CC2)[C@@H](C)C1 ZINC000249442389 464875534 /nfs/dbraw/zinc/87/55/34/464875534.db2.gz MKEMDVQNGXCBBW-WMLDXEAASA-N 2 2 335.496 2.148 10 0 EEAELP CCOc1ccc(OCC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000183802621 464911161 /nfs/dbraw/zinc/91/11/61/464911161.db2.gz NFGWYLKBEYBCOI-UHFFFAOYSA-N 2 2 342.443 2.385 10 0 EEAELP COc1ccc(OC)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371296496 465695755 /nfs/dbraw/zinc/69/57/55/465695755.db2.gz ZWXWOFIJIUEDKK-VDZJLULYSA-N 2 2 334.460 2.387 10 0 EEAELP COc1ccc(OC)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371296496 465695760 /nfs/dbraw/zinc/69/57/60/465695760.db2.gz ZWXWOFIJIUEDKK-VDZJLULYSA-N 2 2 334.460 2.387 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)C2CC2)o1 ZINC000366485370 465758780 /nfs/dbraw/zinc/75/87/80/465758780.db2.gz VPPCNMMHLOZAPS-IBGZPJMESA-N 2 2 331.460 2.107 10 0 EEAELP Cc1ccc(CN(C(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)C2CC2)o1 ZINC000366485370 465758784 /nfs/dbraw/zinc/75/87/84/465758784.db2.gz VPPCNMMHLOZAPS-IBGZPJMESA-N 2 2 331.460 2.107 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)C2CC2)o1 ZINC000366485370 465758789 /nfs/dbraw/zinc/75/87/89/465758789.db2.gz VPPCNMMHLOZAPS-IBGZPJMESA-N 2 2 331.460 2.107 10 0 EEAELP Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)C2CC2)o1 ZINC000366485370 465758793 /nfs/dbraw/zinc/75/87/93/465758793.db2.gz VPPCNMMHLOZAPS-IBGZPJMESA-N 2 2 331.460 2.107 10 0 EEAELP Cc1cc(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)[nH]1 ZINC000353324610 465795650 /nfs/dbraw/zinc/79/56/50/465795650.db2.gz DCEDMLLPSCPEKH-JWTNVVGKSA-N 2 2 344.503 2.057 10 0 EEAELP Cc1cc(C(=O)CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C)[nH]1 ZINC000353324610 465795663 /nfs/dbraw/zinc/79/56/63/465795663.db2.gz DCEDMLLPSCPEKH-JWTNVVGKSA-N 2 2 344.503 2.057 10 0 EEAELP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330988996 465886148 /nfs/dbraw/zinc/88/61/48/465886148.db2.gz XVDYUMHGZTXGJG-RYUDHWBXSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000330988996 465886156 /nfs/dbraw/zinc/88/61/56/465886156.db2.gz XVDYUMHGZTXGJG-RYUDHWBXSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@H]1CC[C@]2(CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)C1 ZINC000371596158 465893375 /nfs/dbraw/zinc/89/33/75/465893375.db2.gz KAIBCYJSTULDED-LPHOPBHVSA-N 2 2 336.524 2.234 10 0 EEAELP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000357304575 465930773 /nfs/dbraw/zinc/93/07/73/465930773.db2.gz KDSYPZCOPNSKSP-WBVHZDCISA-N 2 2 333.476 2.389 10 0 EEAELP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)N2CC[NH+](C)CC2)o1 ZINC000357304575 465930780 /nfs/dbraw/zinc/93/07/80/465930780.db2.gz KDSYPZCOPNSKSP-WBVHZDCISA-N 2 2 333.476 2.389 10 0 EEAELP Cc1nc(N2CC[NH+](CCOCCOc3ccccc3)CC2)cc[nH+]1 ZINC000353654203 466043054 /nfs/dbraw/zinc/04/30/54/466043054.db2.gz GDZORAREEBEUGU-UHFFFAOYSA-N 2 2 342.443 2.003 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Cl)o1 ZINC000591542500 468481825 /nfs/dbraw/zinc/48/18/25/468481825.db2.gz CDWFVYZEIYEKDW-UHFFFAOYSA-N 2 2 342.871 2.100 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Cl)o1 ZINC000591542500 468481826 /nfs/dbraw/zinc/48/18/26/468481826.db2.gz CDWFVYZEIYEKDW-UHFFFAOYSA-N 2 2 342.871 2.100 10 0 EEAELP CCOC(=O)C1(O)CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000361829859 466329004 /nfs/dbraw/zinc/32/90/04/466329004.db2.gz IWJVSJIVVKDXBI-UHFFFAOYSA-N 2 2 343.427 2.071 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)[NH+]1CCC(C)CC1 ZINC000338828147 466409284 /nfs/dbraw/zinc/40/92/84/466409284.db2.gz KDVCGCVRTRFDON-OAHLLOKOSA-N 2 2 333.480 2.419 10 0 EEAELP c1nc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)sc1C1OCCO1 ZINC000368578269 466675219 /nfs/dbraw/zinc/67/52/19/466675219.db2.gz LMOYKSWXUZFSEF-UHFFFAOYSA-N 2 2 346.456 2.342 10 0 EEAELP O=S1(=O)CC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000364822853 466716489 /nfs/dbraw/zinc/71/64/89/466716489.db2.gz TYBAGWOZYHYGIE-IRXDYDNUSA-N 2 2 328.522 2.009 10 0 EEAELP O=S1(=O)CC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000364822853 466716494 /nfs/dbraw/zinc/71/64/94/466716494.db2.gz TYBAGWOZYHYGIE-IRXDYDNUSA-N 2 2 328.522 2.009 10 0 EEAELP Brc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)C2CC2)cc1 ZINC000423569999 466775485 /nfs/dbraw/zinc/77/54/85/466775485.db2.gz MVDATZHLOATVMN-GJZGRUSLSA-N 2 2 325.250 2.478 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226315 466804509 /nfs/dbraw/zinc/80/45/09/466804509.db2.gz FVKODTYNVJPMKO-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226315 466804511 /nfs/dbraw/zinc/80/45/11/466804511.db2.gz FVKODTYNVJPMKO-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370226315 466804515 /nfs/dbraw/zinc/80/45/15/466804515.db2.gz FVKODTYNVJPMKO-CABCVRRESA-N 2 2 333.480 2.419 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000370721433 466978639 /nfs/dbraw/zinc/97/86/39/466978639.db2.gz XZDDAOXTBSCIGQ-UHFFFAOYSA-N 2 2 341.459 2.352 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000366137931 467069611 /nfs/dbraw/zinc/06/96/11/467069611.db2.gz QBQFJVMGAURDLL-INIZCTEOSA-N 2 2 341.459 2.040 10 0 EEAELP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000366137931 467069616 /nfs/dbraw/zinc/06/96/16/467069616.db2.gz QBQFJVMGAURDLL-INIZCTEOSA-N 2 2 341.459 2.040 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1)[C@H](C)[NH3+] ZINC000418709839 467148953 /nfs/dbraw/zinc/14/89/53/467148953.db2.gz VEJNUHLXRVICNJ-BFHYXJOUSA-N 2 2 338.883 2.464 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000377977407 467174878 /nfs/dbraw/zinc/17/48/78/467174878.db2.gz MSDQSEAMDSJFDF-MAUKXSAKSA-N 2 2 341.459 2.178 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000428374564 467226214 /nfs/dbraw/zinc/22/62/14/467226214.db2.gz NTMBDIVNKWRUHM-QGZVFWFLSA-N 2 2 331.508 2.336 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428551091 467245239 /nfs/dbraw/zinc/24/52/39/467245239.db2.gz SCXSENWGVAEDQQ-IOASZLSFSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428551091 467245241 /nfs/dbraw/zinc/24/52/41/467245241.db2.gz SCXSENWGVAEDQQ-IOASZLSFSA-N 2 2 341.293 2.140 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000571731220 468828734 /nfs/dbraw/zinc/82/87/34/468828734.db2.gz UFVVZRVJENMDGM-LPHOPBHVSA-N 2 2 331.460 2.190 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000571731220 468828738 /nfs/dbraw/zinc/82/87/38/468828738.db2.gz UFVVZRVJENMDGM-LPHOPBHVSA-N 2 2 331.460 2.190 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000571759921 468834702 /nfs/dbraw/zinc/83/47/02/468834702.db2.gz MXBINLRUVJIJMV-UHFFFAOYSA-N 2 2 326.404 2.186 10 0 EEAELP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000573949025 469235301 /nfs/dbraw/zinc/23/53/01/469235301.db2.gz XFQGSAPQMRARIP-CQSZACIVSA-N 2 2 335.839 2.223 10 0 EEAELP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000573949025 469235307 /nfs/dbraw/zinc/23/53/07/469235307.db2.gz XFQGSAPQMRARIP-CQSZACIVSA-N 2 2 335.839 2.223 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046717 469480530 /nfs/dbraw/zinc/48/05/30/469480530.db2.gz PBXSZUGZWNITKB-IOASZLSFSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046717 469480536 /nfs/dbraw/zinc/48/05/36/469480536.db2.gz PBXSZUGZWNITKB-IOASZLSFSA-N 2 2 328.416 2.106 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000617013528 469572505 /nfs/dbraw/zinc/57/25/05/469572505.db2.gz VZNXTYNFRMLMGV-QGZVFWFLSA-N 2 2 345.487 2.121 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000617013528 469572507 /nfs/dbraw/zinc/57/25/07/469572507.db2.gz VZNXTYNFRMLMGV-QGZVFWFLSA-N 2 2 345.487 2.121 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000629527005 469572892 /nfs/dbraw/zinc/57/28/92/469572892.db2.gz HKGRLMSYEJMMOB-XWTMOSNGSA-N 2 2 337.895 2.442 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000629527005 469572896 /nfs/dbraw/zinc/57/28/96/469572896.db2.gz HKGRLMSYEJMMOB-XWTMOSNGSA-N 2 2 337.895 2.442 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(OC)c1 ZINC000629536665 469573829 /nfs/dbraw/zinc/57/38/29/469573829.db2.gz IHWKQTXTYXSRKL-MELADBBJSA-N 2 2 335.448 2.151 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)CC2 ZINC000623548512 469689715 /nfs/dbraw/zinc/68/97/15/469689715.db2.gz XKLQVSXGOAEUJC-MSOLQXFVSA-N 2 2 340.471 2.043 10 0 EEAELP C[NH+]1CCC(CNC(=O)CCC(C)(F)F)([NH+]2CCCCC2)CC1 ZINC000607876357 469719670 /nfs/dbraw/zinc/71/96/70/469719670.db2.gz LBNGQJQHYVGMNW-UHFFFAOYSA-N 2 2 331.451 2.488 10 0 EEAELP CCn1c(CC[NH3+])nnc1Sc1nc2ccccc2n2c[nH+]cc12 ZINC000624018746 469817354 /nfs/dbraw/zinc/81/73/54/469817354.db2.gz XRJIWBBJAWNIHM-UHFFFAOYSA-N 2 2 339.428 2.146 10 0 EEAELP CC(C)[NH2+]C1(CO)CCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000624249461 469885904 /nfs/dbraw/zinc/88/59/04/469885904.db2.gz KNNQFQQLGDZZDW-UHFFFAOYSA-N 2 2 339.443 2.212 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000631842450 470187008 /nfs/dbraw/zinc/18/70/08/470187008.db2.gz AOBDEBGYHNZRGE-NXEZZACHSA-N 2 2 344.228 2.053 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@H]1C[NH3+] ZINC000631842450 470187009 /nfs/dbraw/zinc/18/70/09/470187009.db2.gz AOBDEBGYHNZRGE-NXEZZACHSA-N 2 2 344.228 2.053 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC000631888531 470189690 /nfs/dbraw/zinc/18/96/90/470189690.db2.gz XACNEGWLSDQLNA-UYAOXDASSA-N 2 2 343.515 2.344 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC000631888531 470189691 /nfs/dbraw/zinc/18/96/91/470189691.db2.gz XACNEGWLSDQLNA-UYAOXDASSA-N 2 2 343.515 2.344 10 0 EEAELP C[NH+](C)[C@@H]1CCCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000632762469 470268022 /nfs/dbraw/zinc/26/80/22/470268022.db2.gz PEVDJHWVEFRHAT-QGZVFWFLSA-N 2 2 326.444 2.358 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000634704385 470282222 /nfs/dbraw/zinc/28/22/22/470282222.db2.gz KFOZLYUFWGKQKL-UFYCRDLUSA-N 2 2 332.488 2.153 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000634704385 470282223 /nfs/dbraw/zinc/28/22/23/470282223.db2.gz KFOZLYUFWGKQKL-UFYCRDLUSA-N 2 2 332.488 2.153 10 0 EEAELP O[C@@]1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712873 470284645 /nfs/dbraw/zinc/28/46/45/470284645.db2.gz NHZLXVUQYFSMKI-XVAXZDLZSA-N 3 2 343.515 2.230 10 0 EEAELP O[C@@]1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712873 470284647 /nfs/dbraw/zinc/28/46/47/470284647.db2.gz NHZLXVUQYFSMKI-XVAXZDLZSA-N 3 2 343.515 2.230 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721980 470286544 /nfs/dbraw/zinc/28/65/44/470286544.db2.gz IAZAMEZWVHRZRQ-YYWHXJBOSA-N 2 2 340.467 2.335 10 0 EEAELP C[C@H](O)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000634721980 470286545 /nfs/dbraw/zinc/28/65/45/470286545.db2.gz IAZAMEZWVHRZRQ-YYWHXJBOSA-N 2 2 340.467 2.335 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000648722633 470325208 /nfs/dbraw/zinc/32/52/08/470325208.db2.gz BXKJPUBLTZQECG-PMPSAXMXSA-N 2 2 336.480 2.012 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3coc4ccc(F)cc34)C2)CC1 ZINC000648780667 470345441 /nfs/dbraw/zinc/34/54/41/470345441.db2.gz UQCSDTBJTWHBCH-CQSZACIVSA-N 2 2 345.418 2.470 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3coc4ccc(F)cc34)C2)CC1 ZINC000648780667 470345444 /nfs/dbraw/zinc/34/54/44/470345444.db2.gz UQCSDTBJTWHBCH-CQSZACIVSA-N 2 2 345.418 2.470 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000648845911 470369204 /nfs/dbraw/zinc/36/92/04/470369204.db2.gz WPKWGSKNMXECBI-MCPWVCTESA-N 2 2 337.414 2.166 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000648845911 470369209 /nfs/dbraw/zinc/36/92/09/470369209.db2.gz WPKWGSKNMXECBI-MCPWVCTESA-N 2 2 337.414 2.166 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH+]1C ZINC000648845911 470369211 /nfs/dbraw/zinc/36/92/11/470369211.db2.gz WPKWGSKNMXECBI-MCPWVCTESA-N 2 2 337.414 2.166 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH+]1C ZINC000648845911 470369215 /nfs/dbraw/zinc/36/92/15/470369215.db2.gz WPKWGSKNMXECBI-MCPWVCTESA-N 2 2 337.414 2.166 10 0 EEAELP c1cc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)n(-c2cc[nH+]cc2)n1 ZINC000639338523 470473736 /nfs/dbraw/zinc/47/37/36/470473736.db2.gz LKIDIQVVLXFZDI-IBGZPJMESA-N 2 2 335.411 2.453 10 0 EEAELP c1cc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)n(-c2cc[nH+]cc2)n1 ZINC000639338523 470473737 /nfs/dbraw/zinc/47/37/37/470473737.db2.gz LKIDIQVVLXFZDI-IBGZPJMESA-N 2 2 335.411 2.453 10 0 EEAELP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033154 470500008 /nfs/dbraw/zinc/50/00/08/470500008.db2.gz ADQMCZDDYMWFGF-IAGOWNOFSA-N 2 2 340.471 3.061 10 0 EEAELP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635446143 470591256 /nfs/dbraw/zinc/59/12/56/470591256.db2.gz IPWDKEUVTLHJAM-ZIAGYGMSSA-N 2 2 348.397 2.382 10 0 EEAELP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635446143 470591259 /nfs/dbraw/zinc/59/12/59/470591259.db2.gz IPWDKEUVTLHJAM-ZIAGYGMSSA-N 2 2 348.397 2.382 10 0 EEAELP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635745027 470735888 /nfs/dbraw/zinc/73/58/88/470735888.db2.gz TXXAWSSYYPZOBI-HZPDHXFCSA-N 2 2 340.427 2.109 10 0 EEAELP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635745027 470735891 /nfs/dbraw/zinc/73/58/91/470735891.db2.gz TXXAWSSYYPZOBI-HZPDHXFCSA-N 2 2 340.427 2.109 10 0 EEAELP C[N@H+](CCO)Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1Cl ZINC000635890132 470798886 /nfs/dbraw/zinc/79/88/86/470798886.db2.gz RPZTYIOTLOFBJW-ZIAGYGMSSA-N 2 2 348.834 2.229 10 0 EEAELP C[N@@H+](CCO)Cc1cc(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1Cl ZINC000635890132 470798893 /nfs/dbraw/zinc/79/88/93/470798893.db2.gz RPZTYIOTLOFBJW-ZIAGYGMSSA-N 2 2 348.834 2.229 10 0 EEAELP COc1ncncc1C[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000647173033 470848295 /nfs/dbraw/zinc/84/82/95/470848295.db2.gz SZPBGXSYKRLURU-UHFFFAOYSA-N 2 2 330.407 2.379 10 0 EEAELP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cn1 ZINC000647214052 470859500 /nfs/dbraw/zinc/85/95/00/470859500.db2.gz LKRJOQPVBKMROD-GOSISDBHSA-N 2 2 328.460 2.117 10 0 EEAELP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cn1 ZINC000647214052 470859503 /nfs/dbraw/zinc/85/95/03/470859503.db2.gz LKRJOQPVBKMROD-GOSISDBHSA-N 2 2 328.460 2.117 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900701 471011129 /nfs/dbraw/zinc/01/11/29/471011129.db2.gz FIARHAOBCBYNNO-RLFYNMQTSA-N 2 2 331.460 2.486 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647900701 471011131 /nfs/dbraw/zinc/01/11/31/471011131.db2.gz FIARHAOBCBYNNO-RLFYNMQTSA-N 2 2 331.460 2.486 10 0 EEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901640 471012593 /nfs/dbraw/zinc/01/25/93/471012593.db2.gz SDEZGEZFHKNGTO-KGLIPLIRSA-N 2 2 335.414 2.250 10 0 EEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901640 471012595 /nfs/dbraw/zinc/01/25/95/471012595.db2.gz SDEZGEZFHKNGTO-KGLIPLIRSA-N 2 2 335.414 2.250 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957125 471026724 /nfs/dbraw/zinc/02/67/24/471026724.db2.gz SMBSHKVWLWKGDJ-IEBWSBKVSA-N 2 2 331.460 2.488 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957125 471026728 /nfs/dbraw/zinc/02/67/28/471026728.db2.gz SMBSHKVWLWKGDJ-IEBWSBKVSA-N 2 2 331.460 2.488 10 0 EEAELP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4n(n3)CCC4)c2)CCO1 ZINC000657328831 471100674 /nfs/dbraw/zinc/10/06/74/471100674.db2.gz FHQYBKHVTJMEOV-INIZCTEOSA-N 2 2 340.471 2.340 10 0 EEAELP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4n(n3)CCC4)c2)CCO1 ZINC000657328831 471100678 /nfs/dbraw/zinc/10/06/78/471100678.db2.gz FHQYBKHVTJMEOV-INIZCTEOSA-N 2 2 340.471 2.340 10 0 EEAELP C[C@@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649271 471113174 /nfs/dbraw/zinc/11/31/74/471113174.db2.gz AXKKATSEDCQGQI-CAOSSQGBSA-N 2 2 349.479 2.144 10 0 EEAELP C[C@@H](CNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649271 471113179 /nfs/dbraw/zinc/11/31/79/471113179.db2.gz AXKKATSEDCQGQI-CAOSSQGBSA-N 2 2 349.479 2.144 10 0 EEAELP CN(C(=O)[C@H]1C[C@@H]1C1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651314523 471125002 /nfs/dbraw/zinc/12/50/02/471125002.db2.gz CCTBOKUFNMXKSU-OTWHNJEPSA-N 2 2 333.520 2.440 10 0 EEAELP CN(C(=O)[C@H]1C[C@@H]1C1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651314523 471125006 /nfs/dbraw/zinc/12/50/06/471125006.db2.gz CCTBOKUFNMXKSU-OTWHNJEPSA-N 2 2 333.520 2.440 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000657800565 471235864 /nfs/dbraw/zinc/23/58/64/471235864.db2.gz HJAHPDLUAKRMQE-GOSISDBHSA-N 2 2 349.482 2.469 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@H](C[NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000657800565 471235867 /nfs/dbraw/zinc/23/58/67/471235867.db2.gz HJAHPDLUAKRMQE-GOSISDBHSA-N 2 2 349.482 2.469 10 0 EEAELP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657840236 471239948 /nfs/dbraw/zinc/23/99/48/471239948.db2.gz OBVPNKXXXCVNPX-FQEVSTJZSA-N 2 2 347.503 2.467 10 0 EEAELP COC[C@H](CC1CCOCC1)[NH2+]CC(C)(C)[NH+]1CCC(OC)CC1 ZINC000657882254 471243939 /nfs/dbraw/zinc/24/39/39/471243939.db2.gz RARVIGZESZGQBG-KRWDZBQOSA-N 2 2 342.524 2.297 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1CC[NH+](CC(F)F)CC1 ZINC000655083451 471262727 /nfs/dbraw/zinc/26/27/27/471262727.db2.gz YGVJSUATOPZXEP-CYBMUJFWSA-N 2 2 342.434 2.490 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)cc(Cl)c1 ZINC000666355068 471370678 /nfs/dbraw/zinc/37/06/78/471370678.db2.gz VABYEZUERYZLQK-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)cc(Cl)c1 ZINC000666355068 471370685 /nfs/dbraw/zinc/37/06/85/471370685.db2.gz VABYEZUERYZLQK-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000663455944 471386259 /nfs/dbraw/zinc/38/62/59/471386259.db2.gz XRQXTCNUZFVSBJ-INIZCTEOSA-N 2 2 338.883 2.146 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000655633851 471416954 /nfs/dbraw/zinc/41/69/54/471416954.db2.gz BQTQSODGNLIPFZ-INIZCTEOSA-N 2 2 349.866 2.218 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000653061408 471468821 /nfs/dbraw/zinc/46/88/21/471468821.db2.gz ODVRHNVRFLIOJR-AWEZNQCLSA-N 2 2 336.436 2.091 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000653090367 471481128 /nfs/dbraw/zinc/48/11/28/471481128.db2.gz NEAWOYBIGCDIMJ-STQMWFEESA-N 2 2 330.259 2.376 10 0 EEAELP CC(C)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)[C@H]1CCCc2cccnc21 ZINC000653156768 471511060 /nfs/dbraw/zinc/51/10/60/471511060.db2.gz KYTGYSVZPSRXQW-SJORKVTESA-N 2 2 332.492 2.223 10 0 EEAELP C[C@@H](CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000663810539 471529600 /nfs/dbraw/zinc/52/96/00/471529600.db2.gz VQAQUKAGMKPNKR-HNNXBMFYSA-N 2 2 338.471 2.112 10 0 EEAELP C[C@@H](CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1 ZINC000663810539 471529603 /nfs/dbraw/zinc/52/96/03/471529603.db2.gz VQAQUKAGMKPNKR-HNNXBMFYSA-N 2 2 338.471 2.112 10 0 EEAELP C[NH+](C)CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669757896 471607741 /nfs/dbraw/zinc/60/77/41/471607741.db2.gz LZRQXNRRSWHTOJ-OAHLLOKOSA-N 2 2 333.480 2.060 10 0 EEAELP Nc1nc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH+]c2ccccc12 ZINC000664236709 471689201 /nfs/dbraw/zinc/68/92/01/471689201.db2.gz MKAAPIQMYUCVGF-INIZCTEOSA-N 2 2 349.438 2.391 10 0 EEAELP Nc1nc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH+]c2ccccc12 ZINC000664236709 471689209 /nfs/dbraw/zinc/68/92/09/471689209.db2.gz MKAAPIQMYUCVGF-INIZCTEOSA-N 2 2 349.438 2.391 10 0 EEAELP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702376 471812047 /nfs/dbraw/zinc/81/20/47/471812047.db2.gz PLTGVOFNXLZAPE-IRXDYDNUSA-N 2 2 334.460 2.091 10 0 EEAELP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702376 471812050 /nfs/dbraw/zinc/81/20/50/471812050.db2.gz PLTGVOFNXLZAPE-IRXDYDNUSA-N 2 2 334.460 2.091 10 0 EEAELP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667559034 471821279 /nfs/dbraw/zinc/82/12/79/471821279.db2.gz ZRDZEWYPUXLBME-KRWDZBQOSA-N 2 2 327.432 2.100 10 0 EEAELP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000667559034 471821285 /nfs/dbraw/zinc/82/12/85/471821285.db2.gz ZRDZEWYPUXLBME-KRWDZBQOSA-N 2 2 327.432 2.100 10 0 EEAELP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)C1O ZINC000661627952 471832656 /nfs/dbraw/zinc/83/26/56/471832656.db2.gz RSMHGVALQFMGCK-ZHALLVOQSA-N 2 2 332.488 2.226 10 0 EEAELP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)C1O ZINC000661627952 471832662 /nfs/dbraw/zinc/83/26/62/471832662.db2.gz RSMHGVALQFMGCK-ZHALLVOQSA-N 2 2 332.488 2.226 10 0 EEAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2ccc(N)nc2)cc1 ZINC000656790278 471841570 /nfs/dbraw/zinc/84/15/70/471841570.db2.gz NHNOJIDWRNXRBT-ROUUACIJSA-N 2 2 326.444 2.298 10 0 EEAELP C[NH+]1CCC(CNC(=O)Nc2cc(F)ccn2)([NH+]2CCCCC2)CC1 ZINC000667654264 471855839 /nfs/dbraw/zinc/85/58/39/471855839.db2.gz YDZOTNJKNSTHHP-UHFFFAOYSA-N 2 2 349.454 2.293 10 0 EEAELP Nc1nccc([C@@H]2CCC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)n1 ZINC000668113213 472013579 /nfs/dbraw/zinc/01/35/79/472013579.db2.gz KPVWOVCFOLPCOV-CQSZACIVSA-N 2 2 335.415 2.019 10 0 EEAELP Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)n1 ZINC000668113213 472013583 /nfs/dbraw/zinc/01/35/83/472013583.db2.gz KPVWOVCFOLPCOV-CQSZACIVSA-N 2 2 335.415 2.019 10 0 EEAELP Brc1ccc(C2([NH2+]C[C@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000662259474 472046668 /nfs/dbraw/zinc/04/66/68/472046668.db2.gz XYDAFZSLIDDRKS-CQSZACIVSA-N 2 2 325.250 2.406 10 0 EEAELP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324609 472071960 /nfs/dbraw/zinc/07/19/60/472071960.db2.gz ZHFRCOIUVDFVOW-FPQWYMTMSA-N 2 2 339.524 2.112 10 0 EEAELP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324609 472071964 /nfs/dbraw/zinc/07/19/64/472071964.db2.gz ZHFRCOIUVDFVOW-FPQWYMTMSA-N 2 2 339.524 2.112 10 0 EEAELP [NH3+][C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1c(F)cccc1F ZINC000662686276 472206762 /nfs/dbraw/zinc/20/67/62/472206762.db2.gz LPQHXJIBRBNBNY-NVXWUHKLSA-N 2 2 347.365 2.264 10 0 EEAELP CC(C)([NH3+])c1cc(C(=O)NCCNc2ccc3ccccc3[nH+]2)on1 ZINC000662696410 472212182 /nfs/dbraw/zinc/21/21/82/472212182.db2.gz ZSQUERVGIXCHIY-UHFFFAOYSA-N 2 2 339.399 2.259 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662799243 472257618 /nfs/dbraw/zinc/25/76/18/472257618.db2.gz VQGHNQBJPKKBKA-CZPYZCIJSA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662799243 472257626 /nfs/dbraw/zinc/25/76/26/472257626.db2.gz VQGHNQBJPKKBKA-CZPYZCIJSA-N 2 2 339.842 2.468 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)c(F)cc1F ZINC000666004138 472271928 /nfs/dbraw/zinc/27/19/28/472271928.db2.gz VALBIIHYTQYNJR-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)c(F)cc1F ZINC000666004138 472271931 /nfs/dbraw/zinc/27/19/31/472271931.db2.gz VALBIIHYTQYNJR-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000530026370 485531034 /nfs/dbraw/zinc/53/10/34/485531034.db2.gz HNNZEWHRHSGAJR-KSZLIROESA-N 2 2 337.508 2.009 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CC[NH+]1C1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000530026370 485531039 /nfs/dbraw/zinc/53/10/39/485531039.db2.gz HNNZEWHRHSGAJR-KSZLIROESA-N 2 2 337.508 2.009 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCO[C@H](CC)C1 ZINC000530026370 485531044 /nfs/dbraw/zinc/53/10/44/485531044.db2.gz HNNZEWHRHSGAJR-KSZLIROESA-N 2 2 337.508 2.009 10 0 EEAELP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[NH+]1CCO[C@H](CC)C1 ZINC000530026370 485531050 /nfs/dbraw/zinc/53/10/50/485531050.db2.gz HNNZEWHRHSGAJR-KSZLIROESA-N 2 2 337.508 2.009 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)c1ccccc1 ZINC000684185085 485795843 /nfs/dbraw/zinc/79/58/43/485795843.db2.gz WJQUEMJSSGZFIX-BZSNNMDCSA-N 2 2 333.451 2.324 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1)c1ccccc1 ZINC000684185085 485795846 /nfs/dbraw/zinc/79/58/46/485795846.db2.gz WJQUEMJSSGZFIX-BZSNNMDCSA-N 2 2 333.451 2.324 10 0 EEAELP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(C)n1 ZINC000679994226 485864732 /nfs/dbraw/zinc/86/47/32/485864732.db2.gz OZJUUTFARLRQIN-DOTOQJQBSA-N 2 2 341.459 2.274 10 0 EEAELP CCOC1CC(O)(C[NH2+][C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000423081590 535393593 /nfs/dbraw/zinc/39/35/93/535393593.db2.gz DEHYCSNIQYMCDL-CXUOOODFSA-N 2 2 334.460 2.008 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)NCCNc2cccc[nH+]2)ccc1F ZINC000265175887 535989477 /nfs/dbraw/zinc/98/94/77/535989477.db2.gz BGSXAUBBAPZKFB-UHFFFAOYSA-N 2 2 345.422 2.194 10 0 EEAELP OCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000398969403 576176145 /nfs/dbraw/zinc/17/61/45/576176145.db2.gz URYDLPBJTPNLGP-SEJPIABJSA-N 3 2 343.515 2.228 10 0 EEAELP OCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000398969403 576176148 /nfs/dbraw/zinc/17/61/48/576176148.db2.gz URYDLPBJTPNLGP-SEJPIABJSA-N 3 2 343.515 2.228 10 0 EEAELP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)[C@@H]1c1cccs1 ZINC000775392555 577436498 /nfs/dbraw/zinc/43/64/98/577436498.db2.gz JPFYAIDLUVDUFK-IJEWVQPXSA-N 2 2 342.530 2.298 10 0 EEAELP COC(=O)/C(C)=C\C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750045691 577986093 /nfs/dbraw/zinc/98/60/93/577986093.db2.gz NIKKGZUZMHKAFD-APSNUPSMSA-N 2 2 331.460 2.140 10 0 EEAELP COC(=O)/C(C)=C\C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750045691 577986094 /nfs/dbraw/zinc/98/60/94/577986094.db2.gz NIKKGZUZMHKAFD-APSNUPSMSA-N 2 2 331.460 2.140 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177440449 675911840 /nfs/dbraw/zinc/91/18/40/675911840.db2.gz SXIAYHOISFXESP-GOSISDBHSA-N 2 2 341.459 2.498 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000177440449 675911843 /nfs/dbraw/zinc/91/18/43/675911843.db2.gz SXIAYHOISFXESP-GOSISDBHSA-N 2 2 341.459 2.498 10 0 EEAELP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnnc1 ZINC000924928989 681650071 /nfs/dbraw/zinc/65/00/71/681650071.db2.gz UGQKTCJKBRUGCV-LPHOPBHVSA-N 2 2 325.460 2.116 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(O)cc(F)c1 ZINC000925020971 682521230 /nfs/dbraw/zinc/52/12/30/682521230.db2.gz URSZNFXJYQZMOG-ZDUSSCGKSA-N 2 2 337.439 2.125 10 0 EEAELP Cc1[nH]c(CNC(=O)C2CCN(c3cc[nH+]cc3C)CC2)[nH+]c1C ZINC000896915765 685834443 /nfs/dbraw/zinc/83/44/43/685834443.db2.gz PXHUZGBLSGKYOW-UHFFFAOYSA-N 2 2 327.432 2.263 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)NCc3[nH]c(C)c(C)[nH+]3)cc2)CC1 ZINC000896919829 685851809 /nfs/dbraw/zinc/85/18/09/685851809.db2.gz ASGJFBDLOWIKJG-UHFFFAOYSA-N 2 2 341.459 2.098 10 0 EEAELP C/C(=C\C(=O)Nc1ccc(C[NH+](C)C)cc1C)C[NH+]1CCOCC1 ZINC000909598037 686947870 /nfs/dbraw/zinc/94/78/70/686947870.db2.gz JAGJXKQSWODNIQ-RVDMUPIBSA-N 2 2 331.460 2.274 10 0 EEAELP CCc1cnc(C[N@@H+]2CCCC3(CN(C(=O)C[NH+](C)C(C)C)C3)C2)o1 ZINC001485665831 1191885885 /nfs/dbraw/zinc/88/58/85/1191885885.db2.gz UOHCXRITNLPINY-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP CCc1cnc(C[N@H+]2CCCC3(CN(C(=O)C[NH+](C)C(C)C)C3)C2)o1 ZINC001485665831 1191885888 /nfs/dbraw/zinc/88/58/88/1191885888.db2.gz UOHCXRITNLPINY-UHFFFAOYSA-N 2 2 348.491 2.002 10 0 EEAELP CCc1cnc(C[NH+]2CCCC3(CN(C(=O)C[N@H+](C)C(C)C)C3)C2)o1 ZINC001485665831 1191885890 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CC/C=C\CC[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001267198324 1178479192 /nfs/dbraw/zinc/47/91/92/1178479192.db2.gz LQJXFGVTNAKFBI-OSJSJHBBSA-N 2 2 333.480 2.194 10 0 EEAELP CC/C=C\CC[NH+](C)CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001267198324 1178479196 /nfs/dbraw/zinc/47/91/96/1178479196.db2.gz LQJXFGVTNAKFBI-OSJSJHBBSA-N 2 2 333.480 2.194 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001267393842 1178964174 /nfs/dbraw/zinc/96/41/74/1178964174.db2.gz VFEOCZWVDJAJCE-INIZCTEOSA-N 2 2 348.491 2.220 10 0 EEAELP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1 ZINC001267393842 1178964175 /nfs/dbraw/zinc/96/41/75/1178964175.db2.gz VFEOCZWVDJAJCE-INIZCTEOSA-N 2 2 348.491 2.220 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ocnc1C ZINC001480978793 1179412919 /nfs/dbraw/zinc/41/29/19/1179412919.db2.gz LMCORGNJULWIMD-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ocnc1C ZINC001480978793 1179412924 /nfs/dbraw/zinc/41/29/24/1179412924.db2.gz LMCORGNJULWIMD-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)Cc1ocnc1C ZINC001480978793 1179412929 /nfs/dbraw/zinc/41/29/29/1179412929.db2.gz LMCORGNJULWIMD-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)Cc1ocnc1C ZINC001480978793 1179412935 /nfs/dbraw/zinc/41/29/35/1179412935.db2.gz LMCORGNJULWIMD-QGZVFWFLSA-N 2 2 348.491 2.328 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H](C[N@H+](C)CC=C(C)C)C1 ZINC001267585354 1179545730 /nfs/dbraw/zinc/54/57/30/1179545730.db2.gz UFAINIVZOXYHQP-MRXNPFEDSA-N 2 2 331.460 2.379 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001267585354 1179545732 /nfs/dbraw/zinc/54/57/32/1179545732.db2.gz UFAINIVZOXYHQP-MRXNPFEDSA-N 2 2 331.460 2.379 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC001481199611 1180082819 /nfs/dbraw/zinc/08/28/19/1180082819.db2.gz JARWLUHHZQXYBX-AWEZNQCLSA-N 2 2 340.418 2.289 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC001481199611 1180082825 /nfs/dbraw/zinc/08/28/25/1180082825.db2.gz JARWLUHHZQXYBX-AWEZNQCLSA-N 2 2 340.418 2.289 10 0 EEAELP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001267706729 1180224504 /nfs/dbraw/zinc/22/45/04/1180224504.db2.gz QLAGNFNMXJYVIT-MPGHIAIKSA-N 2 2 345.491 2.265 10 0 EEAELP CCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[NH+]2C)[nH]n1 ZINC001267706729 1180224508 /nfs/dbraw/zinc/22/45/08/1180224508.db2.gz QLAGNFNMXJYVIT-MPGHIAIKSA-N 2 2 345.491 2.265 10 0 EEAELP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001267706729 1180224515 /nfs/dbraw/zinc/22/45/15/1180224515.db2.gz QLAGNFNMXJYVIT-MPGHIAIKSA-N 2 2 345.491 2.265 10 0 EEAELP CCCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001267706729 1180224518 /nfs/dbraw/zinc/22/45/18/1180224518.db2.gz QLAGNFNMXJYVIT-MPGHIAIKSA-N 2 2 345.491 2.265 10 0 EEAELP Cc1nocc1C[NH2+]CCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001267909551 1180744063 /nfs/dbraw/zinc/74/40/63/1180744063.db2.gz TVFTUHLHHYINLW-UHFFFAOYSA-N 2 2 345.447 2.057 10 0 EEAELP Cc1nocc1C[NH2+]CCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001267909551 1180744071 /nfs/dbraw/zinc/74/40/71/1180744071.db2.gz TVFTUHLHHYINLW-UHFFFAOYSA-N 2 2 345.447 2.057 10 0 EEAELP CCCCCC[NH+]1CC2(C1)CCN(C(=O)Cc1c[nH+]cn1C)CC2 ZINC001268046793 1181540664 /nfs/dbraw/zinc/54/06/64/1181540664.db2.gz KUWMFARJVXCVFT-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP C[C@H](c1ccc(F)c(F)c1)[NH+]1CC(CNC(=O)C[NH+]2CCCC2)C1 ZINC001481658633 1182154074 /nfs/dbraw/zinc/15/40/74/1182154074.db2.gz ORXPZGRLXUTHJA-CYBMUJFWSA-N 2 2 337.414 2.170 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001481752522 1182550698 /nfs/dbraw/zinc/55/06/98/1182550698.db2.gz DHFBWOOTZIGOCQ-KRWDZBQOSA-N 2 2 349.523 2.011 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)[C@H]1CC[NH+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001481752522 1182550704 /nfs/dbraw/zinc/55/07/04/1182550704.db2.gz DHFBWOOTZIGOCQ-KRWDZBQOSA-N 2 2 349.523 2.011 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001481752522 1182550707 /nfs/dbraw/zinc/55/07/07/1182550707.db2.gz DHFBWOOTZIGOCQ-KRWDZBQOSA-N 2 2 349.523 2.011 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC001481752522 1182550714 /nfs/dbraw/zinc/55/07/14/1182550714.db2.gz DHFBWOOTZIGOCQ-KRWDZBQOSA-N 2 2 349.523 2.011 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)sn1 ZINC001481991395 1183098263 /nfs/dbraw/zinc/09/82/63/1183098263.db2.gz NEJPEDZJUPLNFD-OAHLLOKOSA-N 2 2 347.488 2.067 10 0 EEAELP C[C@H]1CC[C@@H](C[NH2+]CCC2CCN(C(=O)CCn3cc[nH+]c3)CC2)O1 ZINC001482004096 1183121283 /nfs/dbraw/zinc/12/12/83/1183121283.db2.gz RLMOJWZACLJTJC-WMZOPIPTSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CC[C@@H]1CCc2ccccc21 ZINC001268670830 1183598533 /nfs/dbraw/zinc/59/85/33/1183598533.db2.gz LENNDWRIKWHEFU-PBHICJAKSA-N 2 2 340.471 2.475 10 0 EEAELP CC(C)c1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001482198156 1183824618 /nfs/dbraw/zinc/82/46/18/1183824618.db2.gz IYVORBPZOGVVNV-IBGZPJMESA-N 2 2 347.503 2.079 10 0 EEAELP CC(C)c1ccc(C[N@H+]2CCO[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001482198156 1183824621 /nfs/dbraw/zinc/82/46/21/1183824621.db2.gz IYVORBPZOGVVNV-IBGZPJMESA-N 2 2 347.503 2.079 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2CCCN(C(=O)Cc3c[nH+]c[nH]3)C2)s1 ZINC001269770708 1184608969 /nfs/dbraw/zinc/60/89/69/1184608969.db2.gz QVUQTUXISWOEDO-CQSZACIVSA-N 2 2 347.488 2.136 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](CC[NH2+]CCc2cccs2)C1 ZINC001269805376 1184633005 /nfs/dbraw/zinc/63/30/05/1184633005.db2.gz ZCWYJDPJMMULPX-MRXNPFEDSA-N 2 2 346.500 2.406 10 0 EEAELP CCOCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001270105470 1184852298 /nfs/dbraw/zinc/85/22/98/1184852298.db2.gz OTZIXKKOABYWDZ-SFHVURJKSA-N 2 2 342.443 2.103 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H](C)C[NH2+]CC[C@H]2CCOC2)c(C)[nH+]1 ZINC001270459853 1185109200 /nfs/dbraw/zinc/10/92/00/1185109200.db2.gz FLBRDFBLOQYEJO-GUYCJALGSA-N 2 2 333.476 2.389 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001271590515 1186326440 /nfs/dbraw/zinc/32/64/40/1186326440.db2.gz CAWDDDBOIBKPTH-HZPDHXFCSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1 ZINC001482539114 1186597816 /nfs/dbraw/zinc/59/78/16/1186597816.db2.gz PEJBQEUDRWRFJC-IEBWSBKVSA-N 2 2 340.471 2.376 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CCCn2cc[nH+]c2)o1 ZINC001482699633 1187677368 /nfs/dbraw/zinc/67/73/68/1187677368.db2.gz URZIZXYWDGOQTG-NVXWUHKLSA-N 2 2 345.447 2.034 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483051030 1188294528 /nfs/dbraw/zinc/29/45/28/1188294528.db2.gz OWKUYQJXWHWRKZ-XFCCUVRLSA-N 2 2 348.491 2.290 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483051030 1188294530 /nfs/dbraw/zinc/29/45/30/1188294530.db2.gz OWKUYQJXWHWRKZ-XFCCUVRLSA-N 2 2 348.491 2.290 10 0 EEAELP Cc1cnc(C[NH2+]CC2CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)s1 ZINC001409272072 1188509318 /nfs/dbraw/zinc/50/93/18/1188509318.db2.gz LOKAELZTTPBVFS-GRTSSRMGSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1nc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001483137723 1188687298 /nfs/dbraw/zinc/68/72/98/1188687298.db2.gz DALJXNIQRCUZIH-CJNGLKHVSA-N 2 2 347.463 2.370 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[NH2+]Cc2cccc(F)c2)c[nH+]1 ZINC001483141009 1188701874 /nfs/dbraw/zinc/70/18/74/1188701874.db2.gz LPRSVANNPPRURV-CYBMUJFWSA-N 2 2 332.423 2.360 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001483142281 1188729677 /nfs/dbraw/zinc/72/96/77/1188729677.db2.gz PXXAYFDGRIDGKV-QWYBNYMASA-N 2 2 338.455 2.253 10 0 EEAELP Nc1ccc(Cn2cc(C[NH2+][C@H]3CCCc4ccccc43)nn2)c[nH+]1 ZINC000905817296 1189932038 /nfs/dbraw/zinc/93/20/38/1189932038.db2.gz ORNBBRIFFLRDEA-SFHVURJKSA-N 2 2 334.427 2.471 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1 ZINC001409657282 1190155811 /nfs/dbraw/zinc/15/58/11/1190155811.db2.gz OCSKDUXKCFUNPS-HOTGVXAUSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1 ZINC001409657282 1190155813 /nfs/dbraw/zinc/15/58/13/1190155813.db2.gz OCSKDUXKCFUNPS-HOTGVXAUSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1 ZINC001409657282 1190155814 /nfs/dbraw/zinc/15/58/14/1190155814.db2.gz OCSKDUXKCFUNPS-HOTGVXAUSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1 ZINC001409657282 1190155816 /nfs/dbraw/zinc/15/58/16/1190155816.db2.gz OCSKDUXKCFUNPS-HOTGVXAUSA-N 2 2 328.460 2.268 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)c(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001483513310 1190526246 /nfs/dbraw/zinc/52/62/46/1190526246.db2.gz MRDQUVFUXCBDQV-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC001483512634 1190526294 /nfs/dbraw/zinc/52/62/94/1190526294.db2.gz CZYGBPMLOGGAFW-ZDUSSCGKSA-N 2 2 336.386 2.361 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1)c1ccc(F)c(F)c1 ZINC001483512633 1190526300 /nfs/dbraw/zinc/52/63/00/1190526300.db2.gz CZYGBPMLOGGAFW-CYBMUJFWSA-N 2 2 336.386 2.361 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCC2CCOCC2)CN1C(=O)CCn1cc[nH+]c1 ZINC001486117658 1193686865 /nfs/dbraw/zinc/68/68/65/1193686865.db2.gz LRVVDPOAAWGJCR-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001409845224 1190676780 /nfs/dbraw/zinc/67/67/80/1190676780.db2.gz WKQXZXYNBZRUJW-FUHWJXTLSA-N 2 2 339.524 2.303 10 0 EEAELP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001409845224 1190676783 /nfs/dbraw/zinc/67/67/83/1190676783.db2.gz WKQXZXYNBZRUJW-FUHWJXTLSA-N 2 2 339.524 2.303 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001272322228 1190760566 /nfs/dbraw/zinc/76/05/66/1190760566.db2.gz IXVIJWSUTWJJAI-QZTJIDSGSA-N 2 2 340.471 2.460 10 0 EEAELP O=C(NCC1([NH2+]CCCC2CCC2)CC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001483746432 1190898926 /nfs/dbraw/zinc/89/89/26/1190898926.db2.gz AYCMEVPUWREPSD-INIZCTEOSA-N 2 2 330.476 2.264 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001483947520 1191127219 /nfs/dbraw/zinc/12/72/19/1191127219.db2.gz SGQXFZTYHHQUEP-AAEUAGOBSA-N 2 2 332.370 2.121 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001483947520 1191127220 /nfs/dbraw/zinc/12/72/20/1191127220.db2.gz SGQXFZTYHHQUEP-AAEUAGOBSA-N 2 2 332.370 2.121 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccncc2Cl)C1 ZINC001484071646 1191192173 /nfs/dbraw/zinc/19/21/73/1191192173.db2.gz QTWUKVMCZLJQMV-KRWDZBQOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccncc2Cl)C1 ZINC001484071646 1191192174 /nfs/dbraw/zinc/19/21/74/1191192174.db2.gz QTWUKVMCZLJQMV-KRWDZBQOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@H+](Cc2ccncc2Cl)C1 ZINC001484071646 1191192176 /nfs/dbraw/zinc/19/21/76/1191192176.db2.gz QTWUKVMCZLJQMV-KRWDZBQOSA-N 2 2 338.883 2.156 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccncc2Cl)C1 ZINC001484071646 1191192178 /nfs/dbraw/zinc/19/21/78/1191192178.db2.gz QTWUKVMCZLJQMV-KRWDZBQOSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@@]1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC[N@H+](CC2CCC2)C1 ZINC001484164651 1191252881 /nfs/dbraw/zinc/25/28/81/1191252881.db2.gz ZPLZLVOUWOMKGU-XLIONFOSSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@@]1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CCC[N@@H+](CC2CCC2)C1 ZINC001484164651 1191252883 /nfs/dbraw/zinc/25/28/83/1191252883.db2.gz ZPLZLVOUWOMKGU-XLIONFOSSA-N 2 2 344.503 2.464 10 0 EEAELP O=C(CCC[NH+]1CCCCC1)NC[C@H]1C[N@H+](CCF)CCC1(F)F ZINC001484194955 1191267638 /nfs/dbraw/zinc/26/76/38/1191267638.db2.gz BYDDMSHTSSSQEU-HNNXBMFYSA-N 2 2 349.441 2.295 10 0 EEAELP O=C(CCC[NH+]1CCCCC1)NC[C@H]1C[N@@H+](CCF)CCC1(F)F 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c1cc(C[N@H+](Cc2ccccc2)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)n[nH]1 ZINC000903737202 1241781435 /nfs/dbraw/zinc/78/14/35/1241781435.db2.gz QOIHBENAYMQAJZ-MOPGFXCFSA-N 2 2 326.444 2.181 10 0 EEAELP c1cc(C[N@@H+](Cc2ccccc2)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)n[nH]1 ZINC000903737202 1241781441 /nfs/dbraw/zinc/78/14/41/1241781441.db2.gz QOIHBENAYMQAJZ-MOPGFXCFSA-N 2 2 326.444 2.181 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(Br)c1O ZINC000903968071 1242781244 /nfs/dbraw/zinc/78/12/44/1242781244.db2.gz RAJQWWNAFRMERP-KOLCDFICSA-N 2 2 329.238 2.108 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001491542389 1245642972 /nfs/dbraw/zinc/64/29/72/1245642972.db2.gz HDCAWGACDWDTSG-IAGOWNOFSA-N 2 2 340.471 2.173 10 0 EEAELP Cc1cc([C@@H]([NH3+])CC(=O)NCCCCn2cc[nH+]c2)cc(Cl)n1 ZINC000827509664 1248341871 /nfs/dbraw/zinc/34/18/71/1248341871.db2.gz JVMPJTADLIBIMD-AWEZNQCLSA-N 2 2 335.839 2.226 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1)C(=O)CCc1c[nH+]cn1C ZINC001488691154 1290132600 /nfs/dbraw/zinc/13/26/00/1290132600.db2.gz USXFOQJKUUDNPL-SFHVURJKSA-N 2 2 344.503 2.466 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1)C(=O)CCc1c[nH+]cn1C ZINC001488691154 1290132604 /nfs/dbraw/zinc/13/26/04/1290132604.db2.gz USXFOQJKUUDNPL-SFHVURJKSA-N 2 2 344.503 2.466 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001489299432 1290495795 /nfs/dbraw/zinc/49/57/95/1290495795.db2.gz AMDYATIUCLXYHD-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001489299432 1290495805 /nfs/dbraw/zinc/49/58/05/1290495805.db2.gz AMDYATIUCLXYHD-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001489299432 1290495817 /nfs/dbraw/zinc/49/58/17/1290495817.db2.gz AMDYATIUCLXYHD-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2)[C@@H]1C ZINC001489299432 1290495823 /nfs/dbraw/zinc/49/58/23/1290495823.db2.gz AMDYATIUCLXYHD-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP C[NH+](C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccns1)c1ccccc1 ZINC001490281989 1291111014 /nfs/dbraw/zinc/11/10/14/1291111014.db2.gz OVWQLCJCDDQBQD-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP C[NH+](C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccns1)c1ccccc1 ZINC001490281989 1291111015 /nfs/dbraw/zinc/11/10/15/1291111015.db2.gz OVWQLCJCDDQBQD-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@H+](C[C@H]1CC(C)(C)CO1)C1CC1 ZINC001490391455 1291281593 /nfs/dbraw/zinc/28/15/93/1291281593.db2.gz LSAFZRPVCFZTDA-MRXNPFEDSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[N@@H+](C[C@H]1CC(C)(C)CO1)C1CC1 ZINC001490391455 1291281600 /nfs/dbraw/zinc/28/16/00/1291281600.db2.gz LSAFZRPVCFZTDA-MRXNPFEDSA-N 2 2 348.491 2.046 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](CCOC2CCC2)CC1 ZINC001490624009 1291535606 /nfs/dbraw/zinc/53/56/06/1291535606.db2.gz ZJODBHYHQNOEDS-UHFFFAOYSA-N 2 2 348.491 2.155 10 0 EEAELP NC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000858222722 1294051435 /nfs/dbraw/zinc/05/14/35/1294051435.db2.gz VWDXNGWSKGSWOY-KRWDZBQOSA-N 2 2 331.460 2.047 10 0 EEAELP NC(=O)COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000858222722 1294051440 /nfs/dbraw/zinc/05/14/40/1294051440.db2.gz VWDXNGWSKGSWOY-KRWDZBQOSA-N 2 2 331.460 2.047 10 0 EEAELP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000926861250 1296943264 /nfs/dbraw/zinc/94/32/64/1296943264.db2.gz YCNWAYQLRCPKOA-HHXXYDBFSA-N 2 2 342.487 2.440 10 0 EEAELP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000926861250 1296943268 /nfs/dbraw/zinc/94/32/68/1296943268.db2.gz YCNWAYQLRCPKOA-HHXXYDBFSA-N 2 2 342.487 2.440 10 0 EEAELP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001277193770 1301752275 /nfs/dbraw/zinc/75/22/75/1301752275.db2.gz MSHWYUMJJDMTEA-HNNXBMFYSA-N 2 2 332.492 2.437 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001278035327 1305756057 /nfs/dbraw/zinc/75/60/57/1305756057.db2.gz RLONFBOCAXQLCU-QGZVFWFLSA-N 2 2 328.460 2.261 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000842672827 1315751725 /nfs/dbraw/zinc/75/17/25/1315751725.db2.gz DGNBFAJYDFPEPI-KRWDZBQOSA-N 2 2 326.444 2.487 10 0 EEAELP COc1ncncc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000842672827 1315751727 /nfs/dbraw/zinc/75/17/27/1315751727.db2.gz DGNBFAJYDFPEPI-KRWDZBQOSA-N 2 2 326.444 2.487 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001278571461 1317258435 /nfs/dbraw/zinc/25/84/35/1317258435.db2.gz HDZNPTICHMYNHF-HNNXBMFYSA-N 2 2 345.274 2.110 10 0 EEAELP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001264120976 1322633341 /nfs/dbraw/zinc/63/33/41/1322633341.db2.gz VGQAQLKSPVMKEC-KRWDZBQOSA-N 2 2 336.480 2.061 10 0 EEAELP CCOCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001264125451 1322634846 /nfs/dbraw/zinc/63/48/46/1322634846.db2.gz KCGBVSSHVNVJMV-HNNXBMFYSA-N 2 2 336.480 2.085 10 0 EEAELP Cc1nc(C[N@@H+](CCCNC(=O)C[NH+]2CCC(C)CC2)C2CC2)co1 ZINC001265178566 1322969454 /nfs/dbraw/zinc/96/94/54/1322969454.db2.gz GFKWTFRAYIGJTP-UHFFFAOYSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1nc(C[N@H+](CCCNC(=O)C[NH+]2CCC(C)CC2)C2CC2)co1 ZINC001265178566 1322969456 /nfs/dbraw/zinc/96/94/56/1322969456.db2.gz GFKWTFRAYIGJTP-UHFFFAOYSA-N 2 2 348.491 2.186 10 0 EEAELP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001265615183 1323268811 /nfs/dbraw/zinc/26/88/11/1323268811.db2.gz BSWCEULHKJDWTR-IAGOWNOFSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]CCc3ccns3)ccn12 ZINC001265774991 1323374982 /nfs/dbraw/zinc/37/49/82/1323374982.db2.gz LLWZAMMRROTNJL-GFCCVEGCSA-N 2 2 343.456 2.050 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCCc1ccccc1 ZINC001265792181 1323382987 /nfs/dbraw/zinc/38/29/87/1323382987.db2.gz JDSVIMZIVUQDSY-WMZOPIPTSA-N 2 2 340.471 2.173 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265949413 1323512232 /nfs/dbraw/zinc/51/22/32/1323512232.db2.gz MDFYDBPCIMPNJS-SFHVURJKSA-N 2 2 326.444 2.015 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc2nccs2)C1 ZINC001265954024 1323517126 /nfs/dbraw/zinc/51/71/26/1323517126.db2.gz JPPNQEMZLANYTM-CABCVRRESA-N 2 2 338.521 2.202 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@H+](C)Cc2nccs2)C1 ZINC001265954024 1323517127 /nfs/dbraw/zinc/51/71/27/1323517127.db2.gz JPPNQEMZLANYTM-CABCVRRESA-N 2 2 338.521 2.202 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001265991136 1323549366 /nfs/dbraw/zinc/54/93/66/1323549366.db2.gz ZTBGBEPUFIGOAH-OPCNFVSTSA-N 2 2 330.476 2.240 10 0 EEAELP C[C@@H]([NH2+]CC(F)(F)C(F)F)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266006178 1323560720 /nfs/dbraw/zinc/56/07/20/1323560720.db2.gz IVVOQTANILOUAZ-NEPJUHHUSA-N 2 2 341.393 2.198 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001266230113 1323808326 /nfs/dbraw/zinc/80/83/26/1323808326.db2.gz YNIILPJTRPQXLH-SFHVURJKSA-N 2 2 341.459 2.229 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCCC[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC001266230113 1323808337 /nfs/dbraw/zinc/80/83/37/1323808337.db2.gz YNIILPJTRPQXLH-SFHVURJKSA-N 2 2 341.459 2.229 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001280096747 1324083403 /nfs/dbraw/zinc/08/34/03/1324083403.db2.gz WQBDOWBDSMOAPR-DLBZAZTESA-N 2 2 330.476 2.074 10 0 EEAELP CC(C)C[NH2+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001282582425 1325745073 /nfs/dbraw/zinc/74/50/73/1325745073.db2.gz WBXHGPVXYCINDP-IAGOWNOFSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)C[NH2+]CCCOC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001282582425 1325745076 /nfs/dbraw/zinc/74/50/76/1325745076.db2.gz WBXHGPVXYCINDP-IAGOWNOFSA-N 2 2 348.491 2.157 10 0 EEAELP CCOCC[N@H+]1CC[C@]2(NC(=O)c3cc4c[nH+]ccc4[nH]3)CCC[C@@H]12 ZINC001284059269 1326386890 /nfs/dbraw/zinc/38/68/90/1326386890.db2.gz VWZDPTFSKFYNPW-IEBWSBKVSA-N 2 2 342.443 2.326 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCOCC(C)C)CC2 ZINC001284073238 1326394279 /nfs/dbraw/zinc/39/42/79/1326394279.db2.gz ZUIOVVUINTXUSK-PKOBYXMFSA-N 2 2 348.491 2.046 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCOCC(C)C)CC2 ZINC001284073238 1326394281 /nfs/dbraw/zinc/39/42/81/1326394281.db2.gz ZUIOVVUINTXUSK-PKOBYXMFSA-N 2 2 348.491 2.046 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001284375931 1326527484 /nfs/dbraw/zinc/52/74/84/1326527484.db2.gz VDJARKZBHJDYSB-GXTWGEPZSA-N 2 2 344.381 2.145 10 0 EEAELP CC1CC(C[NH2+]CCOCCN(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001284875223 1326754890 /nfs/dbraw/zinc/75/48/90/1326754890.db2.gz JCFYOASFIZREBZ-UHFFFAOYSA-N 2 2 344.459 2.059 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001491694511 1330209117 /nfs/dbraw/zinc/20/91/17/1330209117.db2.gz RLXIYDDXKUOTAR-MLGOLLRUSA-N 2 2 332.835 2.318 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@H+](C)CCC[C@H]2CCOC2)C1 ZINC001491962508 1330356643 /nfs/dbraw/zinc/35/66/43/1330356643.db2.gz FDZKDZBBPHSEOV-IRXDYDNUSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]([N@@H+](C)CCC[C@H]2CCOC2)C1 ZINC001491962508 1330356645 /nfs/dbraw/zinc/35/66/45/1330356645.db2.gz FDZKDZBBPHSEOV-IRXDYDNUSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H](C)CCNC(=O)CCn2cc[nH+]c2)c1 ZINC001492064482 1330437778 /nfs/dbraw/zinc/43/77/78/1330437778.db2.gz XFJJHNGBLAOAPV-OAHLLOKOSA-N 2 2 332.423 2.405 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001492037662 1330461160 /nfs/dbraw/zinc/46/11/60/1330461160.db2.gz XEXCITLTNJXAQS-HFBAOOFYSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001492037662 1330461162 /nfs/dbraw/zinc/46/11/62/1330461162.db2.gz XEXCITLTNJXAQS-HFBAOOFYSA-N 2 2 348.397 2.476 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C)Cc2cccc(C)c2)c[nH+]1 ZINC001492299130 1331175136 /nfs/dbraw/zinc/17/51/36/1331175136.db2.gz RDCOOEGCNHIIFX-UHFFFAOYSA-N 2 2 328.460 2.483 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C)Cc2cccc(C)c2)c[nH+]1 ZINC001492299130 1331175139 /nfs/dbraw/zinc/17/51/39/1331175139.db2.gz RDCOOEGCNHIIFX-UHFFFAOYSA-N 2 2 328.460 2.483 10 0 EEAELP Cc1nsc(C)c1C[N@@H+](C)CCCNC(=O)CCc1[nH+]ccn1C ZINC001316837601 1331924932 /nfs/dbraw/zinc/92/49/32/1331924932.db2.gz UQSRZJNZGIGPJW-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP Cc1nsc(C)c1C[N@H+](C)CCCNC(=O)CCc1[nH+]ccn1C ZINC001316837601 1331924935 /nfs/dbraw/zinc/92/49/35/1331924935.db2.gz UQSRZJNZGIGPJW-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCC(F)(F)C1 ZINC001316839749 1331926242 /nfs/dbraw/zinc/92/62/42/1331926242.db2.gz RCXLCOCSWHFHNB-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)C[C@@H]1CCC(F)(F)C1 ZINC001316839749 1331926245 /nfs/dbraw/zinc/92/62/45/1331926245.db2.gz RCXLCOCSWHFHNB-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP C[N@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC1=CCCCC1 ZINC001317447432 1332245811 /nfs/dbraw/zinc/24/58/11/1332245811.db2.gz VJWWFBFZFXFJEB-SFHVURJKSA-N 2 2 345.491 2.338 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1)CC1=CCCCC1 ZINC001317447432 1332245813 /nfs/dbraw/zinc/24/58/13/1332245813.db2.gz VJWWFBFZFXFJEB-SFHVURJKSA-N 2 2 345.491 2.338 10 0 EEAELP C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)CC1=CCCCC1 ZINC001317447432 1332245816 /nfs/dbraw/zinc/24/58/16/1332245816.db2.gz VJWWFBFZFXFJEB-SFHVURJKSA-N 2 2 345.491 2.338 10 0 EEAELP C[NH+](CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)CC1=CCCCC1 ZINC001317447432 1332245818 /nfs/dbraw/zinc/24/58/18/1332245818.db2.gz VJWWFBFZFXFJEB-SFHVURJKSA-N 2 2 345.491 2.338 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC1=CCCCC1 ZINC001317487804 1332261833 /nfs/dbraw/zinc/26/18/33/1332261833.db2.gz QZABNFXRQNUVKK-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)CC1=CCCCC1 ZINC001317487804 1332261835 /nfs/dbraw/zinc/26/18/35/1332261835.db2.gz QZABNFXRQNUVKK-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317501919 1332268466 /nfs/dbraw/zinc/26/84/66/1332268466.db2.gz FUFHZIPWPBQTTF-MULDZMIYSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001317501919 1332268469 /nfs/dbraw/zinc/26/84/69/1332268469.db2.gz FUFHZIPWPBQTTF-MULDZMIYSA-N 2 2 330.476 2.382 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]Cc2cccc(Cl)n2)CCCC1 ZINC001318656620 1332573749 /nfs/dbraw/zinc/57/37/49/1332573749.db2.gz WVIMUWMRJCTUSS-UHFFFAOYSA-N 2 2 347.850 2.219 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C[NH2+]CC1=CCCCC1 ZINC001319210283 1332665687 /nfs/dbraw/zinc/66/56/87/1332665687.db2.gz VTQFWUDNABECHH-DOTOQJQBSA-N 2 2 330.476 2.288 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001320467541 1332890808 /nfs/dbraw/zinc/89/08/08/1332890808.db2.gz 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CN(C)C(=O)CCC[NH+]1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001660343584 1354444109 /nfs/dbraw/zinc/44/41/09/1354444109.db2.gz XGDINCBCGVZJOO-UHFFFAOYSA-N 2 2 347.503 2.079 10 0 EEAELP CN(C)C(=O)CCC[NH+]1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001660343584 1354444110 /nfs/dbraw/zinc/44/41/10/1354444110.db2.gz XGDINCBCGVZJOO-UHFFFAOYSA-N 2 2 347.503 2.079 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)C[C@H]1CCC(F)(F)C1 ZINC001660613810 1354501690 /nfs/dbraw/zinc/50/16/90/1354501690.db2.gz HJSGMANBGCWUDI-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C[C@H]1CCC(F)(F)C1 ZINC001660613810 1354501692 /nfs/dbraw/zinc/50/16/92/1354501692.db2.gz HJSGMANBGCWUDI-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001662694056 1354826843 /nfs/dbraw/zinc/82/68/43/1354826843.db2.gz DQKKUKHRIBBUPK-HUUCEWRRSA-N 2 2 346.500 2.331 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@H](C[NH2+]CCc2cccs2)C1 ZINC001662694056 1354826847 /nfs/dbraw/zinc/82/68/47/1354826847.db2.gz DQKKUKHRIBBUPK-HUUCEWRRSA-N 2 2 346.500 2.331 10 0 EEAELP CC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001665677569 1355356549 /nfs/dbraw/zinc/35/65/49/1355356549.db2.gz WUXOFPUPMQJQDE-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](Cc2ccnc(Cl)c2)C1 ZINC001665677569 1355356554 /nfs/dbraw/zinc/35/65/54/1355356554.db2.gz WUXOFPUPMQJQDE-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1 ZINC001665677569 1355356560 /nfs/dbraw/zinc/35/65/60/1355356560.db2.gz WUXOFPUPMQJQDE-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP CC[NH+](C)CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1 ZINC001665677569 1355356565 /nfs/dbraw/zinc/35/65/65/1355356565.db2.gz WUXOFPUPMQJQDE-OAHLLOKOSA-N 2 2 338.883 2.110 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+]3CCCC3)C2)no1 ZINC001665691018 1355362272 /nfs/dbraw/zinc/36/22/72/1355362272.db2.gz BMBOMONSFVXIAS-SFHVURJKSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+]3CCCC3)C2)no1 ZINC001665691018 1355362278 /nfs/dbraw/zinc/36/22/78/1355362278.db2.gz BMBOMONSFVXIAS-SFHVURJKSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)[C@@H](C)C[NH2+]CCOCC(F)F)c(C)[nH+]1 ZINC001666957271 1355622334 /nfs/dbraw/zinc/62/23/34/1355622334.db2.gz PRWXFKBJTUADTG-ZDUSSCGKSA-N 2 2 343.418 2.339 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCOC1CCC1 ZINC001667400465 1355732520 /nfs/dbraw/zinc/73/25/20/1355732520.db2.gz JPFAQFUHWJJVCT-RDTXWAMCSA-N 2 2 348.491 2.046 10 0 EEAELP CCc1nocc1C[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001668107229 1355873136 /nfs/dbraw/zinc/87/31/36/1355873136.db2.gz RWJFNGRQWNFHMG-LBPRGKRZSA-N 2 2 341.415 2.412 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(Cl)nc1)NC(=O)CCc1[nH+]ccn1C ZINC001668146096 1355884386 /nfs/dbraw/zinc/88/43/86/1355884386.db2.gz AHIHYCZGSHRFOS-CYBMUJFWSA-N 2 2 349.866 2.086 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCc2c1cc(F)cc2F)C(=O)Cc1c[nH+]c[nH]1 ZINC001670261605 1356306524 /nfs/dbraw/zinc/30/65/24/1356306524.db2.gz RMHRYNRHXDPWRL-QGZVFWFLSA-N 2 2 348.397 2.356 10 0 EEAELP CC(C)OCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001671321763 1356328275 /nfs/dbraw/zinc/32/82/75/1356328275.db2.gz FCIYPPWMERAGCN-INIZCTEOSA-N 2 2 344.459 2.344 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@H+](CCCCCF)CCC1(F)F ZINC001671972547 1356447668 /nfs/dbraw/zinc/44/76/68/1356447668.db2.gz UPFBTJCSQNDRMB-CYBMUJFWSA-N 2 2 346.397 2.165 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1C[N@@H+](CCCCCF)CCC1(F)F ZINC001671972547 1356447670 /nfs/dbraw/zinc/44/76/70/1356447670.db2.gz UPFBTJCSQNDRMB-CYBMUJFWSA-N 2 2 346.397 2.165 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001673074885 1356643224 /nfs/dbraw/zinc/64/32/24/1356643224.db2.gz DGYMJXRLYYRLRY-IBGZPJMESA-N 2 2 347.503 2.369 10 0 EEAELP CCCCC[N@H+]1CCOC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001673074885 1356643225 /nfs/dbraw/zinc/64/32/25/1356643225.db2.gz DGYMJXRLYYRLRY-IBGZPJMESA-N 2 2 347.503 2.369 10 0 EEAELP CC(C)=CC[NH2+][C@]1(CO)CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001673676323 1356732823 /nfs/dbraw/zinc/73/28/23/1356732823.db2.gz RHHHFYHGFGQAIJ-LJQANCHMSA-N 2 2 342.443 2.086 10 0 EEAELP O=C(NCc1ccc(C[NH2+]CCCF)cc1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001698717549 1405021127 /nfs/dbraw/zinc/02/11/27/1405021127.db2.gz SETIQVGOIIGUFD-QGZVFWFLSA-N 2 2 344.434 2.211 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001699139089 1405288399 /nfs/dbraw/zinc/28/83/99/1405288399.db2.gz OAHKAHASHDJWPP-QWHCGFSZSA-N 2 2 335.477 2.284 10 0 EEAELP c1cc(C[NH+]2CCOCC2)cc(-c2noc([C@]34C[C@H]3CCC[NH2+]4)n2)c1 ZINC000900000308 774471063 /nfs/dbraw/zinc/47/10/63/774471063.db2.gz FCCBAAOTHXVEJZ-APWZRJJASA-N 2 2 340.427 2.167 10 0 EEAELP Cn1ccnc1[C@@H]1OCCC[C@H]1[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000906540456 783983350 /nfs/dbraw/zinc/98/33/50/783983350.db2.gz PFNCUHOFTWLZOI-SJLPKXTDSA-N 2 2 341.459 2.294 10 0 EEAELP COc1cc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817977914 785125905 /nfs/dbraw/zinc/12/59/05/785125905.db2.gz RILGQUJVPHNUMX-AEJSXWLSSA-N 2 2 336.404 2.078 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)ncc3F)cn2)CC1 ZINC000823659647 787857887 /nfs/dbraw/zinc/85/78/87/787857887.db2.gz KSNHQQYGBOKMEU-UHFFFAOYSA-N 2 2 347.413 2.187 10 0 EEAELP C[NH+]1C[C@]2(C)CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C[C@@]2(C)C1 ZINC000913276444 788752642 /nfs/dbraw/zinc/75/26/42/788752642.db2.gz ZOZISDODBGRABW-BPLDGKMQSA-N 2 2 344.381 2.177 10 0 EEAELP C[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C[C@@]2(C)C1 ZINC000913276446 788752926 /nfs/dbraw/zinc/75/29/26/788752926.db2.gz ZOZISDODBGRABW-YUELXQCFSA-N 2 2 344.381 2.177 10 0 EEAELP C[N@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](n3cc[nH+]c3)C(F)(F)F)C[C@@]2(C)C1 ZINC000913276446 788752937 /nfs/dbraw/zinc/75/29/37/788752937.db2.gz ZOZISDODBGRABW-YUELXQCFSA-N 2 2 344.381 2.177 10 0 EEAELP C[NH2+]C1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000923285789 789309692 /nfs/dbraw/zinc/30/96/92/789309692.db2.gz DUBFGMPAEIITKN-ZDUSSCGKSA-N 2 2 333.259 2.417 10 0 EEAELP C[C@@H]1[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCS1(=O)=O ZINC000716710148 796443866 /nfs/dbraw/zinc/44/38/66/796443866.db2.gz WMQIPJPQHPVVHF-VINWQNLFSA-N 2 2 348.512 2.205 10 0 EEAELP C[C@@H]1[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCS1(=O)=O ZINC000716710148 796443870 /nfs/dbraw/zinc/44/38/70/796443870.db2.gz WMQIPJPQHPVVHF-VINWQNLFSA-N 2 2 348.512 2.205 10 0 EEAELP Cn1nc2c(c1C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1)COCC2 ZINC000922336226 800639142 /nfs/dbraw/zinc/63/91/42/800639142.db2.gz UGYVNUZLMYNTAF-SFHVURJKSA-N 2 2 337.427 2.220 10 0 EEAELP C[C@H]1[C@@H]([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)CCN1C ZINC000922558807 801293412 /nfs/dbraw/zinc/29/34/12/801293412.db2.gz WYFXLOJAHKTKDZ-YOEHRIQHSA-N 2 2 336.911 2.274 10 0 EEAELP Cc1[nH+]cc(CNCC2([N@H+](C)Cc3ccccc3)CCOCC2)n1C ZINC000922743562 801811507 /nfs/dbraw/zinc/81/15/07/801811507.db2.gz SLSRGYBTIIWELT-UHFFFAOYSA-N 2 2 342.487 2.499 10 0 EEAELP Cc1[nH+]cc(CNCC2([N@@H+](C)Cc3ccccc3)CCOCC2)n1C ZINC000922743562 801811514 /nfs/dbraw/zinc/81/15/14/801811514.db2.gz SLSRGYBTIIWELT-UHFFFAOYSA-N 2 2 342.487 2.499 10 0 EEAELP CC[C@H](F)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001436414673 1087769652 /nfs/dbraw/zinc/76/96/52/1087769652.db2.gz IGVCQKYXYUFGTK-CWRNSKLLSA-N 2 2 337.439 2.255 10 0 EEAELP CC[C@H](F)C[NH2+][C@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001436511876 1088050124 /nfs/dbraw/zinc/05/01/24/1088050124.db2.gz NRFPTNFUERNPOS-HOTGVXAUSA-N 2 2 338.471 2.462 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001437159964 1089165074 /nfs/dbraw/zinc/16/50/74/1089165074.db2.gz GWJVRMMWIFAPEO-DOTOQJQBSA-N 2 2 326.444 2.048 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)oc1C ZINC001437216588 1089296461 /nfs/dbraw/zinc/29/64/61/1089296461.db2.gz RREMAGZAAHNOOJ-UKRRQHHQSA-N 2 2 336.480 2.150 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001437382727 1089634283 /nfs/dbraw/zinc/63/42/83/1089634283.db2.gz VPHKGQKIBVALQO-LERXQTSPSA-N 2 2 347.488 2.271 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC001437382727 1089634289 /nfs/dbraw/zinc/63/42/89/1089634289.db2.gz VPHKGQKIBVALQO-LERXQTSPSA-N 2 2 347.488 2.271 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001437391497 1089644408 /nfs/dbraw/zinc/64/44/08/1089644408.db2.gz XQMJUFYJPXSKFJ-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP C[NH+](C)[C@H](C(=O)NCC[N@H+](C)Cc1cncc(F)c1)c1ccccc1 ZINC001437568599 1090052178 /nfs/dbraw/zinc/05/21/78/1090052178.db2.gz BWTLEAWIUSPVAR-SFHVURJKSA-N 2 2 344.434 2.072 10 0 EEAELP C[NH+](C)[C@H](C(=O)NCC[N@@H+](C)Cc1cncc(F)c1)c1ccccc1 ZINC001437568599 1090052188 /nfs/dbraw/zinc/05/21/88/1090052188.db2.gz BWTLEAWIUSPVAR-SFHVURJKSA-N 2 2 344.434 2.072 10 0 EEAELP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2cncc(F)c2)CC1 ZINC001437678801 1090213400 /nfs/dbraw/zinc/21/34/00/1090213400.db2.gz PCQSNMDADFLEPA-SFHVURJKSA-N 2 2 348.466 2.033 10 0 EEAELP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2cncc(F)c2)CC1 ZINC001437678801 1090213404 /nfs/dbraw/zinc/21/34/04/1090213404.db2.gz PCQSNMDADFLEPA-SFHVURJKSA-N 2 2 348.466 2.033 10 0 EEAELP CCc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001438193047 1090690137 /nfs/dbraw/zinc/69/01/37/1090690137.db2.gz BASWQVYEYCLBLX-HIFRSBDPSA-N 2 2 345.447 2.084 10 0 EEAELP CCc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001438193047 1090690142 /nfs/dbraw/zinc/69/01/42/1090690142.db2.gz BASWQVYEYCLBLX-HIFRSBDPSA-N 2 2 345.447 2.084 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001438540868 1091031562 /nfs/dbraw/zinc/03/15/62/1091031562.db2.gz IKUQNQZIYNEJSN-MEDUHNTESA-N 2 2 348.397 2.260 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001438671551 1091162014 /nfs/dbraw/zinc/16/20/14/1091162014.db2.gz BEPHRQFXHGTCHC-HIFRSBDPSA-N 2 2 336.480 2.355 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1F)n1cc[nH+]c1 ZINC001445618353 1091413927 /nfs/dbraw/zinc/41/39/27/1091413927.db2.gz PZDCJQGHEIJXIH-QWHCGFSZSA-N 2 2 336.386 2.407 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)CC[C@H]1CCCC1(F)F ZINC001438929333 1091606570 /nfs/dbraw/zinc/60/65/70/1091606570.db2.gz RYJQAGVKUZFOBW-CQSZACIVSA-N 2 2 342.434 2.476 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)CC[C@H]1CCCC1(F)F ZINC001438929333 1091606575 /nfs/dbraw/zinc/60/65/75/1091606575.db2.gz RYJQAGVKUZFOBW-CQSZACIVSA-N 2 2 342.434 2.476 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cnc(C)o1 ZINC001439325574 1092003768 /nfs/dbraw/zinc/00/37/68/1092003768.db2.gz KRPHCXLSCOPNHG-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cnc(C)o1 ZINC001439325574 1092003776 /nfs/dbraw/zinc/00/37/76/1092003776.db2.gz KRPHCXLSCOPNHG-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP Cc1csc(C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001439333352 1092023373 /nfs/dbraw/zinc/02/33/73/1092023373.db2.gz OIBUGFXNVDIZOK-ZFWWWQNUSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1csc(C[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001439333352 1092023383 /nfs/dbraw/zinc/02/33/83/1092023383.db2.gz OIBUGFXNVDIZOK-ZFWWWQNUSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1csc(C[NH+](C)C[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001439333352 1092023393 /nfs/dbraw/zinc/02/33/93/1092023393.db2.gz OIBUGFXNVDIZOK-ZFWWWQNUSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1csc(C[NH+](C)C[C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001439333352 1092023403 /nfs/dbraw/zinc/02/34/03/1092023403.db2.gz OIBUGFXNVDIZOK-ZFWWWQNUSA-N 2 2 338.521 2.262 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1F)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001439339054 1092039524 /nfs/dbraw/zinc/03/95/24/1092039524.db2.gz MOZKWYSAGHGYBL-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1F)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001439339054 1092039527 /nfs/dbraw/zinc/03/95/27/1092039527.db2.gz MOZKWYSAGHGYBL-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC001446060566 1092072396 /nfs/dbraw/zinc/07/23/96/1092072396.db2.gz KUBDGQBKOKQWPF-SJLPKXTDSA-N 2 2 342.418 2.209 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCc2ccc(F)cc21 ZINC001446060566 1092072407 /nfs/dbraw/zinc/07/24/07/1092072407.db2.gz KUBDGQBKOKQWPF-SJLPKXTDSA-N 2 2 342.418 2.209 10 0 EEAELP Cc1nsc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001439404218 1092163596 /nfs/dbraw/zinc/16/35/96/1092163596.db2.gz VQCGJASNRHBNIA-GFCCVEGCSA-N 2 2 349.504 2.063 10 0 EEAELP Cc1nsc(C)c1C[N@H+](C)C[C@@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001439404218 1092163597 /nfs/dbraw/zinc/16/35/97/1092163597.db2.gz VQCGJASNRHBNIA-GFCCVEGCSA-N 2 2 349.504 2.063 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1([NH2+]Cc2cc(C)on2)CC1 ZINC001446171192 1092230695 /nfs/dbraw/zinc/23/06/95/1092230695.db2.gz FFZDZHBSUVBXEO-ZDUSSCGKSA-N 2 2 345.447 2.132 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CCCC2)o1 ZINC001439810815 1092776430 /nfs/dbraw/zinc/77/64/30/1092776430.db2.gz BRPBLADGOZBQNU-DLBZAZTESA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CCCC2)o1 ZINC001439810815 1092776439 /nfs/dbraw/zinc/77/64/39/1092776439.db2.gz BRPBLADGOZBQNU-DLBZAZTESA-N 2 2 348.491 2.232 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@@]2(C)CCN(C(=O)Cn3cc[nH+]c3)C2)c1 ZINC001439909728 1092978802 /nfs/dbraw/zinc/97/88/02/1092978802.db2.gz NMMRIZOIKHBJHL-LJQANCHMSA-N 2 2 344.434 2.359 10 0 EEAELP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001448461811 1093471938 /nfs/dbraw/zinc/47/19/38/1093471938.db2.gz HGOJSDVBYPPHAP-DOTOQJQBSA-N 2 2 348.491 2.128 10 0 EEAELP Cc1cnc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)o1 ZINC001440520349 1093772981 /nfs/dbraw/zinc/77/29/81/1093772981.db2.gz XQQVYRHRAYOTLA-INIZCTEOSA-N 2 2 348.491 2.138 10 0 EEAELP Cc1cnc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)o1 ZINC001440520349 1093772989 /nfs/dbraw/zinc/77/29/89/1093772989.db2.gz XQQVYRHRAYOTLA-INIZCTEOSA-N 2 2 348.491 2.138 10 0 EEAELP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001448708837 1093777015 /nfs/dbraw/zinc/77/70/15/1093777015.db2.gz GNNMDBRZAHZINR-KGLIPLIRSA-N 2 2 342.434 2.225 10 0 EEAELP Cc1ncsc1C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001448768620 1093844601 /nfs/dbraw/zinc/84/46/01/1093844601.db2.gz HPFVQODWVRXUDE-NSHDSACASA-N 2 2 335.477 2.089 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]CCc1ccccc1Cl ZINC001440849743 1094108355 /nfs/dbraw/zinc/10/83/55/1094108355.db2.gz NKDDHQLQWSTAMT-STQMWFEESA-N 2 2 334.851 2.331 10 0 EEAELP CC[C@H](C)C[N@H+](C)C[C@H](O)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001449183070 1094148594 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2.380 10 0 EEAELP CC(C)N(CC[N@H+](C)C[C@H]1CC[C@H](C)O1)C(=O)CCc1c[nH]c[nH+]1 ZINC001449276870 1094224466 /nfs/dbraw/zinc/22/44/66/1094224466.db2.gz YCBMGAFEKFGXLP-DOTOQJQBSA-N 2 2 336.480 2.079 10 0 EEAELP CC(C)N(CC[N@@H+](C)C[C@H]1CC[C@H](C)O1)C(=O)CCc1c[nH]c[nH+]1 ZINC001449276870 1094224468 /nfs/dbraw/zinc/22/44/68/1094224468.db2.gz YCBMGAFEKFGXLP-DOTOQJQBSA-N 2 2 336.480 2.079 10 0 EEAELP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001440977299 1094237268 /nfs/dbraw/zinc/23/72/68/1094237268.db2.gz PFXBJVVWBYICTC-CGTJXYLNSA-N 2 2 340.471 2.469 10 0 EEAELP Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)c1 ZINC001440977299 1094237271 /nfs/dbraw/zinc/23/72/71/1094237271.db2.gz PFXBJVVWBYICTC-CGTJXYLNSA-N 2 2 340.471 2.469 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)s1 ZINC001441229224 1094606175 /nfs/dbraw/zinc/60/61/75/1094606175.db2.gz APTCCPJILZPYEM-BLLLJJGKSA-N 2 2 347.488 2.284 10 0 EEAELP 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ZINC001443813854 1098309157 /nfs/dbraw/zinc/30/91/57/1098309157.db2.gz MGCNOVPSRFGYOO-JKSUJKDBSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[N@H+]2CC[C@@H](N(C)C(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001443813854 1098309166 /nfs/dbraw/zinc/30/91/66/1098309166.db2.gz MGCNOVPSRFGYOO-JKSUJKDBSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001443813854 1098309176 /nfs/dbraw/zinc/30/91/76/1098309176.db2.gz MGCNOVPSRFGYOO-JKSUJKDBSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@@H](N(C)C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001443813854 1098309183 /nfs/dbraw/zinc/30/91/83/1098309183.db2.gz MGCNOVPSRFGYOO-JKSUJKDBSA-N 2 2 348.491 2.144 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001443813713 1098309419 /nfs/dbraw/zinc/30/94/19/1098309419.db2.gz HTTCJTXGEGEDGP-KRWDZBQOSA-N 2 2 330.476 2.386 10 0 EEAELP CN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001443813713 1098309427 /nfs/dbraw/zinc/30/94/27/1098309427.db2.gz HTTCJTXGEGEDGP-KRWDZBQOSA-N 2 2 330.476 2.386 10 0 EEAELP CC[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1F ZINC001444006045 1098521242 /nfs/dbraw/zinc/52/12/42/1098521242.db2.gz GLXLXQAKGCEJAO-DZGCQCFKSA-N 2 2 332.423 2.412 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1Cc1cncc(F)c1 ZINC001479647089 1098675234 /nfs/dbraw/zinc/67/52/34/1098675234.db2.gz AENSCMVXWPWJIR-DLBZAZTESA-N 2 2 336.455 2.030 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@H+]1Cc1cncc(F)c1 ZINC001479647089 1098675240 /nfs/dbraw/zinc/67/52/40/1098675240.db2.gz AENSCMVXWPWJIR-DLBZAZTESA-N 2 2 336.455 2.030 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)CC[NH+]1Cc1cncc(F)c1 ZINC001479647089 1098675246 /nfs/dbraw/zinc/67/52/46/1098675246.db2.gz AENSCMVXWPWJIR-DLBZAZTESA-N 2 2 336.455 2.030 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC[NH+]1Cc1cncc(F)c1 ZINC001479647089 1098675250 /nfs/dbraw/zinc/67/52/50/1098675250.db2.gz AENSCMVXWPWJIR-DLBZAZTESA-N 2 2 336.455 2.030 10 0 EEAELP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001444187872 1098737972 /nfs/dbraw/zinc/73/79/72/1098737972.db2.gz RSRUMQWBSISUNJ-KLHDSHLOSA-N 2 2 336.455 2.211 10 0 EEAELP C[C@@H](C(=O)NCCC[N@H+](C)Cc1cscn1)[NH+]1CCCCCC1 ZINC001479800801 1099030014 /nfs/dbraw/zinc/03/00/14/1099030014.db2.gz WDQUWEHZQCUJSO-HNNXBMFYSA-N 2 2 338.521 2.346 10 0 EEAELP C[C@@H](C(=O)NCCC[N@@H+](C)Cc1cscn1)[NH+]1CCCCCC1 ZINC001479800801 1099030027 /nfs/dbraw/zinc/03/00/27/1099030027.db2.gz WDQUWEHZQCUJSO-HNNXBMFYSA-N 2 2 338.521 2.346 10 0 EEAELP Cc1ncccc1C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001444686989 1099535756 /nfs/dbraw/zinc/53/57/56/1099535756.db2.gz NKPLBMRCXDDRAE-CABCVRRESA-N 2 2 329.448 2.174 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC001480068856 1099604037 /nfs/dbraw/zinc/60/40/37/1099604037.db2.gz LMLNYYJIXDHDCU-UKRRQHHQSA-N 2 2 340.418 2.193 10 0 EEAELP 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CCCC[C@H](C[NH2+]Cc1ncc(C)cn1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001506538935 1114684051 /nfs/dbraw/zinc/68/40/51/1114684051.db2.gz RIGQGFYQEZVVJI-IAGOWNOFSA-N 2 2 347.507 2.034 10 0 EEAELP CCCC[C@H](C[NH2+]Cc1ncc(C)cn1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001506538935 1114684054 /nfs/dbraw/zinc/68/40/54/1114684054.db2.gz RIGQGFYQEZVVJI-IAGOWNOFSA-N 2 2 347.507 2.034 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001506868996 1114938493 /nfs/dbraw/zinc/93/84/93/1114938493.db2.gz PAKVOBCCRCWPCX-QCUQMOABSA-N 2 2 330.476 2.479 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@@]2(C)CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@]2(C)C1 ZINC001506868996 1114938497 /nfs/dbraw/zinc/93/84/97/1114938497.db2.gz PAKVOBCCRCWPCX-QCUQMOABSA-N 2 2 330.476 2.479 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](C)[NH2+]CCC(F)(F)F ZINC001507088930 1115101723 /nfs/dbraw/zinc/10/17/23/1115101723.db2.gz MULPIZXMWQBTLB-LLVKDONJSA-N 2 2 333.354 2.022 10 0 EEAELP C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2ccns2)C1)n1cc[nH+]c1 ZINC001508138579 1115425804 /nfs/dbraw/zinc/42/58/04/1115425804.db2.gz ARFFJGHYPGZACJ-IYXRBSQSSA-N 2 2 333.461 2.070 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)C[NH2+]CCc1ccc(Cl)cc1 ZINC001568203102 1124353206 /nfs/dbraw/zinc/35/32/06/1124353206.db2.gz XFWSZEXDBMHEDD-AWEZNQCLSA-N 2 2 348.878 2.201 10 0 EEAELP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001568282249 1124402658 /nfs/dbraw/zinc/40/26/58/1124402658.db2.gz GACZEOPHFHMSDX-WBVHZDCISA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001568282100 1124402989 /nfs/dbraw/zinc/40/29/89/1124402989.db2.gz CJSMHTRZFWJBCJ-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001568386842 1124457383 /nfs/dbraw/zinc/45/73/83/1124457383.db2.gz LEBNTJKBKASIGV-IAGOWNOFSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CCC[C@H]3CCOC3)ccn12 ZINC001569058897 1125070568 /nfs/dbraw/zinc/07/05/68/1125070568.db2.gz ZDGSIAQPVYVCQN-HOCLYGCPSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001569072114 1125079807 /nfs/dbraw/zinc/07/98/07/1125079807.db2.gz MSLCSVIWIHZVCY-ZDUSSCGKSA-N 2 2 339.399 2.077 10 0 EEAELP CN(CCC[NH2+]C[C@H]1CCC(F)(F)C1)C(=O)CCc1c[nH+]cn1C ZINC001569261751 1125203857 /nfs/dbraw/zinc/20/38/57/1125203857.db2.gz BEWZMZBVXWFDHB-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP C[N@H+](Cc1ccc2c[nH]nc2c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000179519081 529991914 /nfs/dbraw/zinc/99/19/14/529991914.db2.gz OJJXHCRWBKFVEA-UHFFFAOYSA-N 2 2 338.459 2.356 10 0 EEAELP C[N@@H+](Cc1ccc2c[nH]nc2c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000179519081 529991915 /nfs/dbraw/zinc/99/19/15/529991915.db2.gz OJJXHCRWBKFVEA-UHFFFAOYSA-N 2 2 338.459 2.356 10 0 EEAELP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCO1 ZINC000423577086 283008943 /nfs/dbraw/zinc/00/89/43/283008943.db2.gz RVFGBSQHUWFIPU-ZANVPECISA-N 2 2 329.213 2.154 10 0 EEAELP Cc1nccc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000183796197 235228781 /nfs/dbraw/zinc/22/87/81/235228781.db2.gz LBIPTVVOMZRWJA-UHFFFAOYSA-N 2 2 334.427 2.293 10 0 EEAELP CCOC(=O)Cc1[nH+]c2ccc(N)cn2c1C[NH+]1CCCCCC1 ZINC000036274034 213079694 /nfs/dbraw/zinc/07/96/94/213079694.db2.gz CAMDUDBBMOEJOH-UHFFFAOYSA-N 2 2 330.432 2.398 10 0 EEAELP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422789802 240224330 /nfs/dbraw/zinc/22/43/30/240224330.db2.gz BOHFFQURSGGFBA-ROUUACIJSA-N 2 2 331.460 2.138 10 0 EEAELP c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc(C[NH+]2CCCC2)c1 ZINC000422801277 240231400 /nfs/dbraw/zinc/23/14/00/240231400.db2.gz BRLGGBRDVUCSST-PMACEKPBSA-N 3 2 329.488 2.139 10 0 EEAELP FC(F)(F)c1ccc(OCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422942042 240300798 /nfs/dbraw/zinc/30/07/98/240300798.db2.gz JWUCQWUBKFLDJI-JKSUJKDBSA-N 2 2 344.377 2.441 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)c1c[nH+]ccc1N ZINC000422948427 240302524 /nfs/dbraw/zinc/30/25/24/240302524.db2.gz RGVDLVGAHHYKHS-QWHCGFSZSA-N 2 2 348.472 2.156 10 0 EEAELP Fc1cc(OCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1Cl ZINC000423152506 240385710 /nfs/dbraw/zinc/38/57/10/240385710.db2.gz LQDJBPPOURTPAK-HZPDHXFCSA-N 2 2 328.815 2.215 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)c1ccccc1OCC[NH+](C)C ZINC000080350320 217300447 /nfs/dbraw/zinc/30/04/47/217300447.db2.gz COVUAVLHDJUXFM-UHFFFAOYSA-N 2 2 342.443 2.018 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262596940 152296202 /nfs/dbraw/zinc/29/62/02/152296202.db2.gz XDQSVGYMSQPWFK-ZNMIVQPWSA-N 2 2 327.831 2.468 10 0 EEAELP CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262596940 152296204 /nfs/dbraw/zinc/29/62/04/152296204.db2.gz XDQSVGYMSQPWFK-ZNMIVQPWSA-N 2 2 327.831 2.468 10 0 EEAELP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357770288 153336402 /nfs/dbraw/zinc/33/64/02/153336402.db2.gz FEXIPALOHBAWIW-GJZGRUSLSA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357770288 153336409 /nfs/dbraw/zinc/33/64/09/153336409.db2.gz FEXIPALOHBAWIW-GJZGRUSLSA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357770288 153336418 /nfs/dbraw/zinc/33/64/18/153336418.db2.gz FEXIPALOHBAWIW-GJZGRUSLSA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357770288 153336426 /nfs/dbraw/zinc/33/64/26/153336426.db2.gz FEXIPALOHBAWIW-GJZGRUSLSA-N 2 2 333.480 2.221 10 0 EEAELP COCc1ccc(CNC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374209777 154006187 /nfs/dbraw/zinc/00/61/87/154006187.db2.gz RGJSPMDXFXACLV-UHFFFAOYSA-N 2 2 342.443 2.052 10 0 EEAELP CCc1occc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377388778 154176086 /nfs/dbraw/zinc/17/60/86/154176086.db2.gz FMYYEDVINHVRJB-XYPWUTKMSA-N 2 2 331.460 2.225 10 0 EEAELP CCc1occc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377388778 154176093 /nfs/dbraw/zinc/17/60/93/154176093.db2.gz FMYYEDVINHVRJB-XYPWUTKMSA-N 2 2 331.460 2.225 10 0 EEAELP CCN(CC1CC1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074767161 159069821 /nfs/dbraw/zinc/06/98/21/159069821.db2.gz KZZOBNZSAAIODA-UHFFFAOYSA-N 2 2 336.524 2.378 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3scnc3C3CC3)CC2)CC1 ZINC000089805462 159186346 /nfs/dbraw/zinc/18/63/46/159186346.db2.gz KJNFWIRUDYXDBA-UHFFFAOYSA-N 2 2 348.516 2.309 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000192063132 160166752 /nfs/dbraw/zinc/16/67/52/160166752.db2.gz XKQVMHYYKVJUJI-FXAWDEMLSA-N 2 2 340.471 2.333 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000192063132 160166753 /nfs/dbraw/zinc/16/67/53/160166753.db2.gz XKQVMHYYKVJUJI-FXAWDEMLSA-N 2 2 340.471 2.333 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)CC2)[nH+]c1 ZINC000195046635 160204791 /nfs/dbraw/zinc/20/47/91/160204791.db2.gz IFYJJIPXAPUJEE-GOSISDBHSA-N 2 2 342.487 2.303 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)CC2)[nH+]c1 ZINC000195046635 160204795 /nfs/dbraw/zinc/20/47/95/160204795.db2.gz IFYJJIPXAPUJEE-GOSISDBHSA-N 2 2 342.487 2.303 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000195295550 160209838 /nfs/dbraw/zinc/20/98/38/160209838.db2.gz PTFGLLVEXQUOSQ-QGZVFWFLSA-N 2 2 335.411 2.186 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(C)cc1 ZINC000246872544 160298690 /nfs/dbraw/zinc/29/86/90/160298690.db2.gz DCMWFELBVUTNLK-ZWKOTPCHSA-N 2 2 329.444 2.404 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(C)cc1 ZINC000246872544 160298692 /nfs/dbraw/zinc/29/86/92/160298692.db2.gz DCMWFELBVUTNLK-ZWKOTPCHSA-N 2 2 329.444 2.404 10 0 EEAELP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000343190483 161111765 /nfs/dbraw/zinc/11/17/65/161111765.db2.gz FPIGKQIMHHSTST-FPOVZHCZSA-N 3 2 344.547 2.437 10 0 EEAELP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000343190483 161111766 /nfs/dbraw/zinc/11/17/66/161111766.db2.gz FPIGKQIMHHSTST-FPOVZHCZSA-N 3 2 344.547 2.437 10 0 EEAELP Cc1cc(-c2nnc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o2)c(C)o1 ZINC000344034287 161192182 /nfs/dbraw/zinc/19/21/82/161192182.db2.gz RCMDCECKPCUHTD-UHFFFAOYSA-N 2 2 349.479 2.262 10 0 EEAELP Cc1cc(-c2nnc(C[N@H+](C)CCCN(C)CC[NH+](C)C)o2)c(C)o1 ZINC000344034287 161192183 /nfs/dbraw/zinc/19/21/83/161192183.db2.gz RCMDCECKPCUHTD-UHFFFAOYSA-N 2 2 349.479 2.262 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344050685 161193635 /nfs/dbraw/zinc/19/36/35/161193635.db2.gz HUTUSDWBBRYPII-MSOLQXFVSA-N 2 2 342.487 2.407 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344050685 161193636 /nfs/dbraw/zinc/19/36/36/161193636.db2.gz HUTUSDWBBRYPII-MSOLQXFVSA-N 2 2 342.487 2.407 10 0 EEAELP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CC=CCC1 ZINC000344107895 161198798 /nfs/dbraw/zinc/19/87/98/161198798.db2.gz ZQOIXZBAQAHSID-GOSISDBHSA-N 2 2 342.487 2.408 10 0 EEAELP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[C@@H]1CC=CCC1 ZINC000344107895 161198799 /nfs/dbraw/zinc/19/87/99/161198799.db2.gz ZQOIXZBAQAHSID-GOSISDBHSA-N 2 2 342.487 2.408 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000352478185 162150328 /nfs/dbraw/zinc/15/03/28/162150328.db2.gz UAPHWDSQOFLMAJ-CABCVRRESA-N 2 2 327.432 2.212 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@H]1C ZINC000352478185 162150330 /nfs/dbraw/zinc/15/03/30/162150330.db2.gz UAPHWDSQOFLMAJ-CABCVRRESA-N 2 2 327.432 2.212 10 0 EEAELP CCOc1cccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)n1 ZINC000355656322 163261237 /nfs/dbraw/zinc/26/12/37/163261237.db2.gz VIISDSGOXWAJOI-UHFFFAOYSA-N 2 2 328.416 2.206 10 0 EEAELP COc1cc(C)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C)n1 ZINC000359219515 164085954 /nfs/dbraw/zinc/08/59/54/164085954.db2.gz FHYDEGOWGGCXTE-SFHVURJKSA-N 2 2 346.519 2.309 10 0 EEAELP COc1cc(C)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)n1 ZINC000359219515 164085955 /nfs/dbraw/zinc/08/59/55/164085955.db2.gz FHYDEGOWGGCXTE-SFHVURJKSA-N 2 2 346.519 2.309 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000369923771 166358086 /nfs/dbraw/zinc/35/80/86/166358086.db2.gz PGNSXOHBRQQZLZ-HOTGVXAUSA-N 2 2 347.507 2.475 10 0 EEAELP CN(C(=O)NCCC1=CCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375380717 167122027 /nfs/dbraw/zinc/12/20/27/167122027.db2.gz WWWNIYHLQPGPDU-GOSISDBHSA-N 2 2 334.508 2.297 10 0 EEAELP CN(C(=O)NCCC1=CCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375380717 167122028 /nfs/dbraw/zinc/12/20/28/167122028.db2.gz WWWNIYHLQPGPDU-GOSISDBHSA-N 2 2 334.508 2.297 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000122759698 222152903 /nfs/dbraw/zinc/15/29/03/222152903.db2.gz WAGMWDOPYKOZCE-QGZVFWFLSA-N 2 2 345.491 2.082 10 0 EEAELP COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000123281532 222248878 /nfs/dbraw/zinc/24/88/78/222248878.db2.gz MKCQBIQHVGXEJM-HIFRSBDPSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000123281532 222248883 /nfs/dbraw/zinc/24/88/83/222248883.db2.gz MKCQBIQHVGXEJM-HIFRSBDPSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000123281532 222248885 /nfs/dbraw/zinc/24/88/85/222248885.db2.gz MKCQBIQHVGXEJM-HIFRSBDPSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000123281532 222248889 /nfs/dbraw/zinc/24/88/89/222248889.db2.gz MKCQBIQHVGXEJM-HIFRSBDPSA-N 2 2 335.448 2.057 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123804552 222334425 /nfs/dbraw/zinc/33/44/25/222334425.db2.gz XHBGQOPMWREOSN-GDBMZVCRSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000123804552 222334428 /nfs/dbraw/zinc/33/44/28/222334428.db2.gz XHBGQOPMWREOSN-GDBMZVCRSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123804552 222334431 /nfs/dbraw/zinc/33/44/31/222334431.db2.gz XHBGQOPMWREOSN-GDBMZVCRSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123804552 222334433 /nfs/dbraw/zinc/33/44/33/222334433.db2.gz XHBGQOPMWREOSN-GDBMZVCRSA-N 2 2 347.459 2.135 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCCN(C)c2ccccc2)CC[N@@H+]1C ZINC000123874881 222345745 /nfs/dbraw/zinc/34/57/45/222345745.db2.gz IJAQJHHGNYRISR-IEBWSBKVSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@@H]1C[C@H]([NH+](C)CC(=O)NCCCN(C)c2ccccc2)CC[N@H+]1C ZINC000123874881 222345748 /nfs/dbraw/zinc/34/57/48/222345748.db2.gz IJAQJHHGNYRISR-IEBWSBKVSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@@H]1C[C@H]([N@H+](C)CC(=O)NCCCN(C)c2ccccc2)CC[NH+]1C ZINC000123874881 222345752 /nfs/dbraw/zinc/34/57/52/222345752.db2.gz IJAQJHHGNYRISR-IEBWSBKVSA-N 2 2 346.519 2.044 10 0 EEAELP C[C@@H]1C[C@H]([N@@H+](C)CC(=O)NCCCN(C)c2ccccc2)CC[NH+]1C ZINC000123874881 222345756 /nfs/dbraw/zinc/34/57/56/222345756.db2.gz IJAQJHHGNYRISR-IEBWSBKVSA-N 2 2 346.519 2.044 10 0 EEAELP COC(=O)c1ccccc1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000272804379 269022580 /nfs/dbraw/zinc/02/25/80/269022580.db2.gz LSUTUQSMGWPBRJ-UHFFFAOYSA-N 2 2 329.400 2.455 10 0 EEAELP Cc1ccncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000280826564 269392696 /nfs/dbraw/zinc/39/26/96/269392696.db2.gz JGMWNEYBMBOFLG-VQTJNVASSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1ccncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000280826564 269392697 /nfs/dbraw/zinc/39/26/97/269392697.db2.gz JGMWNEYBMBOFLG-VQTJNVASSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1oc2ccccc2c1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000185777172 274022481 /nfs/dbraw/zinc/02/24/81/274022481.db2.gz GLMPQKICEOPWMZ-UHFFFAOYSA-N 2 2 329.444 2.497 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1c1ccccc1 ZINC000272360455 274169348 /nfs/dbraw/zinc/16/93/48/274169348.db2.gz SEXGMZPQXACVQB-HKUYNNGSSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1c1ccccc1 ZINC000272360455 274169352 /nfs/dbraw/zinc/16/93/52/274169352.db2.gz SEXGMZPQXACVQB-HKUYNNGSSA-N 2 2 347.422 2.443 10 0 EEAELP CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2CCc2c[nH+]cn2C)n1 ZINC000289512425 275123253 /nfs/dbraw/zinc/12/32/53/275123253.db2.gz FLVBZTJTFUTCPC-AWEZNQCLSA-N 2 2 334.445 2.433 10 0 EEAELP CCOC(=O)c1csc([C@@H]2CCC[N@H+]2CCc2c[nH+]cn2C)n1 ZINC000289512425 275123254 /nfs/dbraw/zinc/12/32/54/275123254.db2.gz FLVBZTJTFUTCPC-AWEZNQCLSA-N 2 2 334.445 2.433 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[C@H](C)OC ZINC000361570232 276311685 /nfs/dbraw/zinc/31/16/85/276311685.db2.gz VPEDDQSTICDYEP-ROUUACIJSA-N 2 2 347.503 2.249 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C[C@H](C)OC ZINC000361570232 276311686 /nfs/dbraw/zinc/31/16/86/276311686.db2.gz VPEDDQSTICDYEP-ROUUACIJSA-N 2 2 347.503 2.249 10 0 EEAELP COc1cccc(COC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267438249 278013291 /nfs/dbraw/zinc/01/32/91/278013291.db2.gz ARJAPWXSSCCSES-KRWDZBQOSA-N 2 2 345.443 2.175 10 0 EEAELP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1c[nH+]ccc1N ZINC000423027440 290064055 /nfs/dbraw/zinc/06/40/55/290064055.db2.gz OZMWDTUBVSLUTB-ZFWWWQNUSA-N 3 2 326.448 2.203 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000296677396 294037849 /nfs/dbraw/zinc/03/78/49/294037849.db2.gz PZVGFRUIMZCXGI-HNNXBMFYSA-N 2 2 329.448 2.223 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000296677396 294037851 /nfs/dbraw/zinc/03/78/51/294037851.db2.gz PZVGFRUIMZCXGI-HNNXBMFYSA-N 2 2 329.448 2.223 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000297124789 294158150 /nfs/dbraw/zinc/15/81/50/294158150.db2.gz PJZYXPQNHKGGDT-HNNXBMFYSA-N 2 2 327.432 2.131 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000297612185 294296049 /nfs/dbraw/zinc/29/60/49/294296049.db2.gz AFYBUHGCRCCHSQ-HNNXBMFYSA-N 2 2 333.411 2.144 10 0 EEAELP Cc1ccc(NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(C)[nH+]1 ZINC000333115633 312094993 /nfs/dbraw/zinc/09/49/93/312094993.db2.gz HGJMTURXRMENKX-WBVHZDCISA-N 2 2 332.448 2.449 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416837421 313330274 /nfs/dbraw/zinc/33/02/74/313330274.db2.gz AEDOIWQAVZTVSB-HOTGVXAUSA-N 2 2 341.459 2.128 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000416861913 313339450 /nfs/dbraw/zinc/33/94/50/313339450.db2.gz XLHOZOXBACOFAM-XJKSGUPXSA-N 2 2 329.448 2.032 10 0 EEAELP C[C@H]([NH3+])C1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000416933094 313365108 /nfs/dbraw/zinc/36/51/08/313365108.db2.gz AHMGRNGSNIYKSM-NSHDSACASA-N 2 2 335.839 2.257 10 0 EEAELP [NH3+]CC[C@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000416945034 313368571 /nfs/dbraw/zinc/36/85/71/313368571.db2.gz VURWLFBQVNRXRJ-GFCCVEGCSA-N 2 2 335.839 2.258 10 0 EEAELP [NH3+][C@@H](CNC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000417065037 313411381 /nfs/dbraw/zinc/41/13/81/313411381.db2.gz AZGHURJUXNHKGD-KRWDZBQOSA-N 2 2 339.443 2.050 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NCC3([NH3+])CCCCCC3)cn21 ZINC000417992327 313679783 /nfs/dbraw/zinc/67/97/83/313679783.db2.gz OCXVHMNCTKACOZ-UHFFFAOYSA-N 2 2 329.448 2.494 10 0 EEAELP CC[NH2+]CCNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000418326553 313783323 /nfs/dbraw/zinc/78/33/23/313783323.db2.gz OGZVCEKWXCBDKX-AWEZNQCLSA-N 2 2 338.883 2.338 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)Cc1[nH+]ccn1Cc1ccccc1 ZINC000418566985 313848876 /nfs/dbraw/zinc/84/88/76/313848876.db2.gz GHGFGSYHNYQXSA-NVXWUHKLSA-N 2 2 341.459 2.071 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N1CC[NH+](Cc2ccc(Cl)cc2C)CC1 ZINC000418728820 313890513 /nfs/dbraw/zinc/89/05/13/313890513.db2.gz NRNAMOHCPKYBHX-INIZCTEOSA-N 2 2 338.883 2.213 10 0 EEAELP CC[NH+]1CCC(CNC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000520368272 316855628 /nfs/dbraw/zinc/85/56/28/316855628.db2.gz ITAGRGMZWKAVIE-UHFFFAOYSA-N 2 2 345.491 2.082 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000535223053 317966385 /nfs/dbraw/zinc/96/63/85/317966385.db2.gz VIBDZTPHDHUCHV-MRXNPFEDSA-N 2 2 333.480 2.041 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C1=O ZINC000541229115 318094416 /nfs/dbraw/zinc/09/44/16/318094416.db2.gz NDZBRADPNRJQSG-DLBZAZTESA-N 2 2 342.418 2.327 10 0 EEAELP COc1ccc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cc1 ZINC000542158249 318122892 /nfs/dbraw/zinc/12/28/92/318122892.db2.gz UOIJTSFNFJHBGQ-PBHICJAKSA-N 2 2 342.443 2.271 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccsc1 ZINC000543631332 318164402 /nfs/dbraw/zinc/16/44/02/318164402.db2.gz IFVAQNJOHCFIOC-MRXNPFEDSA-N 2 2 332.473 2.243 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]C2C3CC4CC(C3)CC2C4)C1=O ZINC000544015851 318178438 /nfs/dbraw/zinc/17/84/38/318178438.db2.gz LWXKJOCQDATLET-MGMWPHTOSA-N 2 2 342.487 2.325 10 0 EEAELP O=C(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)Nc1ccccn1 ZINC000544174329 318181899 /nfs/dbraw/zinc/18/18/99/318181899.db2.gz OMQBRRUDSUVMGC-UHFFFAOYSA-N 2 2 327.413 2.447 10 0 EEAELP C[N@H+](CCNC(=O)Cn1c[nH+]c2c1CCCC2)Cc1ccc(F)cc1 ZINC000544636785 318193617 /nfs/dbraw/zinc/19/36/17/318193617.db2.gz BFBYEGXLAIKAQT-UHFFFAOYSA-N 2 2 344.434 2.149 10 0 EEAELP C[N@@H+](CCNC(=O)Cn1c[nH+]c2c1CCCC2)Cc1ccc(F)cc1 ZINC000544636785 318193620 /nfs/dbraw/zinc/19/36/20/318193620.db2.gz BFBYEGXLAIKAQT-UHFFFAOYSA-N 2 2 344.434 2.149 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c[nH+]1 ZINC000562789107 318930154 /nfs/dbraw/zinc/93/01/54/318930154.db2.gz LQVJMWGHPKSOLS-CALCHBBNSA-N 2 2 345.491 2.069 10 0 EEAELP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCc4c[nH+]cn4C3)cccc21 ZINC000563202713 318983448 /nfs/dbraw/zinc/98/34/48/318983448.db2.gz ALMWWOQRGIBHEF-DYVFJYSZSA-N 2 2 340.427 2.469 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000566456939 319290263 /nfs/dbraw/zinc/29/02/63/319290263.db2.gz OVRZIIPRAHKRTF-CYBMUJFWSA-N 2 2 332.835 2.484 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC000566456939 319290266 /nfs/dbraw/zinc/29/02/66/319290266.db2.gz OVRZIIPRAHKRTF-CYBMUJFWSA-N 2 2 332.835 2.484 10 0 EEAELP COc1cncc(/C=C/CC[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000572399189 319843294 /nfs/dbraw/zinc/84/32/94/319843294.db2.gz VZXXVXJQZWVGSE-HWKANZROSA-N 2 2 327.432 2.049 10 0 EEAELP Cc1cccc2c1cc[nH+]c2N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000575042002 320082109 /nfs/dbraw/zinc/08/21/09/320082109.db2.gz POOBIJLUMOFRIU-UHFFFAOYSA-N 2 2 341.455 2.207 10 0 EEAELP CSc1ccc([C@@H](CNC(=O)C[NH+]2CC(C)(C)C2)[NH+](C)C)cc1 ZINC000577123040 320233950 /nfs/dbraw/zinc/23/39/50/320233950.db2.gz AMIWRIAEKZZUKH-MRXNPFEDSA-N 2 2 335.517 2.469 10 0 EEAELP c1nnn(Cc2ccccc2)c1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000578479000 320316190 /nfs/dbraw/zinc/31/61/90/320316190.db2.gz FHXPFSUBVJXSBQ-UHFFFAOYSA-N 2 2 348.454 2.480 10 0 EEAELP CC[C@@H]1CN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1[NH3+] ZINC000529366686 448842144 /nfs/dbraw/zinc/84/21/44/448842144.db2.gz KRSALXRXAOLNOD-HUUCEWRRSA-N 2 2 348.495 2.089 10 0 EEAELP Cc1cc(NCCNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)nc(C(C)C)[nH+]1 ZINC000529366214 448842742 /nfs/dbraw/zinc/84/27/42/448842742.db2.gz JEPVMBYLZGOJIQ-LSDHHAIUSA-N 2 2 348.495 2.089 10 0 EEAELP C[C@H]([C@H](C)Nc1nc2ccccc2n2c[nH+]cc12)[NH+]1CCOCC1 ZINC000623941356 450643982 /nfs/dbraw/zinc/64/39/82/450643982.db2.gz PMKYTWWAXVCPFE-UONOGXRCSA-N 2 2 325.416 2.404 10 0 EEAELP Cn1c2ccccc2[nH+]c1NC[C@@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624706492 450956481 /nfs/dbraw/zinc/95/64/81/450956481.db2.gz MUSQNSIQUXVVSB-MRXNPFEDSA-N 2 2 337.427 2.281 10 0 EEAELP Cn1c2ccccc2[nH+]c1NC[C@@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624706492 450956487 /nfs/dbraw/zinc/95/64/87/450956487.db2.gz MUSQNSIQUXVVSB-MRXNPFEDSA-N 2 2 337.427 2.281 10 0 EEAELP CCN(CCOC)c1cccc(CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)[nH+]1 ZINC000351712222 465311094 /nfs/dbraw/zinc/31/10/94/465311094.db2.gz NUWAVFWUTNOOKZ-IRXDYDNUSA-N 2 2 334.508 2.469 10 0 EEAELP CCN(CCOC)c1cccc(CN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)[nH+]1 ZINC000351712222 465311097 /nfs/dbraw/zinc/31/10/97/465311097.db2.gz NUWAVFWUTNOOKZ-IRXDYDNUSA-N 2 2 334.508 2.469 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000578961946 468284813 /nfs/dbraw/zinc/28/48/13/468284813.db2.gz ZTKKZENBGGSPBX-UHFFFAOYSA-N 2 2 347.507 2.260 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000578961946 468284816 /nfs/dbraw/zinc/28/48/16/468284816.db2.gz ZTKKZENBGGSPBX-UHFFFAOYSA-N 2 2 347.507 2.260 10 0 EEAELP Cc1c(C[N@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)cnn1C ZINC000551990106 468289810 /nfs/dbraw/zinc/28/98/10/468289810.db2.gz FMQFHBVHPJYWOC-UHFFFAOYSA-N 2 2 341.503 2.373 10 0 EEAELP Cc1c(C[N@@H+](C)CCC[NH+]2CCN(c3ccccc3)CC2)cnn1C ZINC000551990106 468289817 /nfs/dbraw/zinc/28/98/17/468289817.db2.gz FMQFHBVHPJYWOC-UHFFFAOYSA-N 2 2 341.503 2.373 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)NCCCNc1cccc[nH+]1)c1ccccc1 ZINC000045185457 462566540 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10 0 EEAELP CC(C)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)CC1 ZINC000331179497 465969451 /nfs/dbraw/zinc/96/94/51/465969451.db2.gz QOCPVBMJNMJXIO-UHFFFAOYSA-N 2 2 349.385 2.371 10 0 EEAELP Cc1ccc2[nH+]ccc(N3CC[NH+](CC(=O)NC(C)C)CC3)c2c1 ZINC000302107392 466098364 /nfs/dbraw/zinc/09/83/64/466098364.db2.gz AJEDMQINNDMVML-UHFFFAOYSA-N 2 2 326.444 2.190 10 0 EEAELP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000340587551 466189228 /nfs/dbraw/zinc/18/92/28/466189228.db2.gz KTZIJDYEKCBGDG-HUUCEWRRSA-N 2 2 346.866 2.757 10 0 EEAELP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000340587551 466189235 /nfs/dbraw/zinc/18/92/35/466189235.db2.gz KTZIJDYEKCBGDG-HUUCEWRRSA-N 2 2 346.866 2.757 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357809764 466229792 /nfs/dbraw/zinc/22/97/92/466229792.db2.gz CIQMQQRBUZQQAA-HNNXBMFYSA-N 2 2 333.480 2.078 10 0 EEAELP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357809764 466229798 /nfs/dbraw/zinc/22/97/98/466229798.db2.gz CIQMQQRBUZQQAA-HNNXBMFYSA-N 2 2 333.480 2.078 10 0 EEAELP CC[NH+](CC)CCNC(=O)c1ccc(NCc2[nH+]ccn2C)cc1 ZINC000340705232 466277057 /nfs/dbraw/zinc/27/70/57/466277057.db2.gz WBMMHDDAVSPCAD-UHFFFAOYSA-N 2 2 329.448 2.104 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000354211602 466381240 /nfs/dbraw/zinc/38/12/40/466381240.db2.gz XAPBFVULLRSBLX-WBVHZDCISA-N 2 2 333.476 2.116 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000354211602 466381244 /nfs/dbraw/zinc/38/12/44/466381244.db2.gz XAPBFVULLRSBLX-WBVHZDCISA-N 2 2 333.476 2.116 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000354211602 466381253 /nfs/dbraw/zinc/38/12/53/466381253.db2.gz XAPBFVULLRSBLX-WBVHZDCISA-N 2 2 333.476 2.116 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2ccc(OC)cc2)C[C@H]1C ZINC000354211602 466381258 /nfs/dbraw/zinc/38/12/58/466381258.db2.gz XAPBFVULLRSBLX-WBVHZDCISA-N 2 2 333.476 2.116 10 0 EEAELP CCc1cccnc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000372457614 466397583 /nfs/dbraw/zinc/39/75/83/466397583.db2.gz KSIPZCFAUXHBQD-JWTNVVGKSA-N 2 2 342.487 2.027 10 0 EEAELP CCc1cccnc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000372457614 466397593 /nfs/dbraw/zinc/39/75/93/466397593.db2.gz KSIPZCFAUXHBQD-JWTNVVGKSA-N 2 2 342.487 2.027 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000594995240 468739851 /nfs/dbraw/zinc/73/98/51/468739851.db2.gz HFANPXABJLGHJU-SMDDNHRTSA-N 2 2 344.240 2.373 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCc1ccc(I)cc1 ZINC000594995240 468739857 /nfs/dbraw/zinc/73/98/57/468739857.db2.gz HFANPXABJLGHJU-SMDDNHRTSA-N 2 2 344.240 2.373 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000341114549 466595194 /nfs/dbraw/zinc/59/51/94/466595194.db2.gz NNRLBJYTGIJCEU-HUUCEWRRSA-N 2 2 333.480 2.210 10 0 EEAELP CCNC(=O)C(C)(C)C[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422964592 466688467 /nfs/dbraw/zinc/68/84/67/466688467.db2.gz IXQOEHHHGWPEEZ-IRXDYDNUSA-N 2 2 333.476 2.240 10 0 EEAELP CCOC(=O)[C@@H]1CC[C@H](Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)C[C@H]1C ZINC000423238035 466701940 /nfs/dbraw/zinc/70/19/40/466701940.db2.gz UXYKYXGESQWBPB-HLLBOEOZSA-N 2 2 346.475 2.271 10 0 EEAELP CCCN(C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[C@@H]1CC[NH2+]C1 ZINC000417079516 466773108 /nfs/dbraw/zinc/77/31/08/466773108.db2.gz RJGBSJJYDYPIJK-GOSISDBHSA-N 2 2 341.459 2.215 10 0 EEAELP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(S(N)(=O)=O)c1 ZINC000373518286 466831673 /nfs/dbraw/zinc/83/16/73/466831673.db2.gz CFOMAVFCUBXCSC-JEYLPNPQSA-N 2 2 337.489 2.002 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420354665 467374952 /nfs/dbraw/zinc/37/49/52/467374952.db2.gz BYTRBHHALNNCFW-BEFAXECRSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420354665 467374956 /nfs/dbraw/zinc/37/49/56/467374956.db2.gz BYTRBHHALNNCFW-BEFAXECRSA-N 2 2 331.460 2.488 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371884 467382079 /nfs/dbraw/zinc/38/20/79/467382079.db2.gz MBSNQFLKSZVWBZ-RDTXWAMCSA-N 2 2 333.501 2.097 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371884 467382082 /nfs/dbraw/zinc/38/20/82/467382082.db2.gz MBSNQFLKSZVWBZ-RDTXWAMCSA-N 2 2 333.501 2.097 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000389126346 467398739 /nfs/dbraw/zinc/39/87/39/467398739.db2.gz DFAZEFBSUACPPO-LBPRGKRZSA-N 2 2 341.249 2.404 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398003946 467446181 /nfs/dbraw/zinc/44/61/81/467446181.db2.gz WYDLMIMWMBMIQY-HOJAQTOUSA-N 3 2 331.504 2.398 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398003946 467446186 /nfs/dbraw/zinc/44/61/86/467446186.db2.gz WYDLMIMWMBMIQY-HOJAQTOUSA-N 3 2 331.504 2.398 10 0 EEAELP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)CC[NH2+]2)cc1 ZINC000415056277 467477320 /nfs/dbraw/zinc/47/73/20/467477320.db2.gz PRFQPDCMUZMZDS-KOQKOIQBSA-N 2 2 342.531 2.286 10 0 EEAELP c1ccc([C@@H]2C[C@H]([NH2+]C3CCC(N4CC[NH2+]CC4)CC3)CC[NH2+]2)cc1 ZINC000415056277 467477324 /nfs/dbraw/zinc/47/73/24/467477324.db2.gz PRFQPDCMUZMZDS-KOQKOIQBSA-N 3 2 342.531 2.286 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000415151382 467502878 /nfs/dbraw/zinc/50/28/78/467502878.db2.gz SKVXUYRLECKPKQ-VKJFTORMSA-N 2 2 346.475 2.199 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449243947 467625843 /nfs/dbraw/zinc/62/58/43/467625843.db2.gz OKQQGFKCIUDMHQ-DZGCQCFKSA-N 2 2 343.240 2.232 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449243947 467625845 /nfs/dbraw/zinc/62/58/45/467625845.db2.gz OKQQGFKCIUDMHQ-DZGCQCFKSA-N 2 2 343.240 2.232 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CCCOCC2)CC1 ZINC000449323997 467630813 /nfs/dbraw/zinc/63/08/13/467630813.db2.gz CLNHZFOJBAIGKR-LJQANCHMSA-N 2 2 345.531 2.394 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@H+]2CCCOCC2)CC1 ZINC000449323997 467630814 /nfs/dbraw/zinc/63/08/14/467630814.db2.gz CLNHZFOJBAIGKR-LJQANCHMSA-N 2 2 345.531 2.394 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CCCOCC2)CC1 ZINC000449323996 467631110 /nfs/dbraw/zinc/63/11/10/467631110.db2.gz CLNHZFOJBAIGKR-IBGZPJMESA-N 2 2 345.531 2.394 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@H+]2CCCOCC2)CC1 ZINC000449323996 467631111 /nfs/dbraw/zinc/63/11/11/467631111.db2.gz CLNHZFOJBAIGKR-IBGZPJMESA-N 2 2 345.531 2.394 10 0 EEAELP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528730250 467742037 /nfs/dbraw/zinc/74/20/37/467742037.db2.gz SLNGRLBRLHZWCB-MJGOQNOKSA-N 2 2 332.488 2.338 10 0 EEAELP Cn1c[nH+]cc1[C@H]1[C@H]([NH2+][C@H]2CCCSC2)CCC(=O)N1C1CC1 ZINC000487095745 468021954 /nfs/dbraw/zinc/02/19/54/468021954.db2.gz UMNGWLJJMWVRFE-DXCKQFNASA-N 2 2 334.489 2.100 10 0 EEAELP CN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000518212582 468108797 /nfs/dbraw/zinc/10/87/97/468108797.db2.gz GNCUYMOBJYZVKD-CHWSQXEVSA-N 2 2 344.381 2.151 10 0 EEAELP CN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000518212582 468108799 /nfs/dbraw/zinc/10/87/99/468108799.db2.gz GNCUYMOBJYZVKD-CHWSQXEVSA-N 2 2 344.381 2.151 10 0 EEAELP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000557339432 468627177 /nfs/dbraw/zinc/62/71/77/468627177.db2.gz SHGZNANYNLGVDD-WBVHZDCISA-N 2 2 334.464 2.446 10 0 EEAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000571726131 468828887 /nfs/dbraw/zinc/82/88/87/468828887.db2.gz YCPQHMCCSNQIKZ-CYBMUJFWSA-N 2 2 337.383 2.176 10 0 EEAELP c1[nH]c2c([nH+]1)C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc3c(c1)OCO3)CC2 ZINC000571726131 468828893 /nfs/dbraw/zinc/82/88/93/468828893.db2.gz YCPQHMCCSNQIKZ-CYBMUJFWSA-N 2 2 337.383 2.176 10 0 EEAELP COC(=O)Cc1cc[nH+]c(NCCC[N@H+](C)Cc2ccccc2)c1 ZINC000596061175 469134570 /nfs/dbraw/zinc/13/45/70/469134570.db2.gz CZENKSKDUHXDCN-UHFFFAOYSA-N 2 2 327.428 2.731 10 0 EEAELP COC(=O)Cc1cc[nH+]c(NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000596061175 469134576 /nfs/dbraw/zinc/13/45/76/469134576.db2.gz CZENKSKDUHXDCN-UHFFFAOYSA-N 2 2 327.428 2.731 10 0 EEAELP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588973659 469184319 /nfs/dbraw/zinc/18/43/19/469184319.db2.gz LKARGALFNRPGCD-OAGGEKHMSA-N 2 2 347.507 2.385 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000573844365 469218582 /nfs/dbraw/zinc/21/85/82/469218582.db2.gz QEQJXJMWANZVCC-RBUKOAKNSA-N 2 2 340.471 2.240 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000573844365 469218586 /nfs/dbraw/zinc/21/85/86/469218586.db2.gz QEQJXJMWANZVCC-RBUKOAKNSA-N 2 2 340.471 2.240 10 0 EEAELP OC[C@@]1([NH2+]Cc2c[nH+]c[nH]2)CCc2cc(Br)ccc2C1 ZINC000625797457 469391145 /nfs/dbraw/zinc/39/11/45/469391145.db2.gz VWYWXMVGHBJWPJ-OAHLLOKOSA-N 2 2 336.233 2.182 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cccc1 ZINC000604868138 469523457 /nfs/dbraw/zinc/52/34/57/469523457.db2.gz IQIPTHMNJHSNCW-WMZOPIPTSA-N 2 2 332.492 2.066 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cccc1 ZINC000604868138 469523460 /nfs/dbraw/zinc/52/34/60/469523460.db2.gz IQIPTHMNJHSNCW-WMZOPIPTSA-N 2 2 332.492 2.066 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000617013527 469572712 /nfs/dbraw/zinc/57/27/12/469572712.db2.gz VZNXTYNFRMLMGV-KRWDZBQOSA-N 2 2 345.487 2.121 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000617013527 469572715 /nfs/dbraw/zinc/57/27/15/469572715.db2.gz VZNXTYNFRMLMGV-KRWDZBQOSA-N 2 2 345.487 2.121 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000629534046 469574782 /nfs/dbraw/zinc/57/47/82/469574782.db2.gz JYUFCFOSBKZNED-KBPBESRZSA-N 2 2 335.414 2.251 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000629534046 469574786 /nfs/dbraw/zinc/57/47/86/469574786.db2.gz JYUFCFOSBKZNED-KBPBESRZSA-N 2 2 335.414 2.251 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583487 469584257 /nfs/dbraw/zinc/58/42/57/469584257.db2.gz AUOZAYPGWHCCRQ-IDENBPMYSA-N 2 2 327.472 2.284 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583487 469584262 /nfs/dbraw/zinc/58/42/62/469584262.db2.gz AUOZAYPGWHCCRQ-IDENBPMYSA-N 2 2 327.472 2.284 10 0 EEAELP Cc1cccc2c1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CO2 ZINC000629588641 469587232 /nfs/dbraw/zinc/58/72/32/469587232.db2.gz KFFSIBSDCOYYLP-RBUKOAKNSA-N 2 2 340.467 2.381 10 0 EEAELP Cc1cccc2c1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CO2 ZINC000629588641 469587238 /nfs/dbraw/zinc/58/72/38/469587238.db2.gz KFFSIBSDCOYYLP-RBUKOAKNSA-N 2 2 340.467 2.381 10 0 EEAELP O[C@H](C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)COCc1ccccc1F ZINC000629600698 469589744 /nfs/dbraw/zinc/58/97/44/469589744.db2.gz BBNQGNXNGAUWRK-QZTJIDSGSA-N 2 2 336.451 2.310 10 0 EEAELP O[C@H](C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1)COCc1ccccc1F ZINC000629600698 469589749 /nfs/dbraw/zinc/58/97/49/469589749.db2.gz BBNQGNXNGAUWRK-QZTJIDSGSA-N 2 2 336.451 2.310 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000607519729 469696051 /nfs/dbraw/zinc/69/60/51/469696051.db2.gz FYUOZPAHPSFPJV-DOTOQJQBSA-N 2 2 328.460 2.374 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cn3cccc(C)c3[nH+]2)[C@@H](C)C1 ZINC000607519729 469696056 /nfs/dbraw/zinc/69/60/56/469696056.db2.gz FYUOZPAHPSFPJV-DOTOQJQBSA-N 2 2 328.460 2.374 10 0 EEAELP COCC[N@@H+]1CCCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623865052 469782882 /nfs/dbraw/zinc/78/28/82/469782882.db2.gz FUMBMNLJXMIRAR-UHFFFAOYSA-N 2 2 325.416 2.041 10 0 EEAELP COCC[N@H+]1CCCN(c2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623865052 469782884 /nfs/dbraw/zinc/78/28/84/469782884.db2.gz FUMBMNLJXMIRAR-UHFFFAOYSA-N 2 2 325.416 2.041 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CO[C@@H]1CCCc2ccccc21 ZINC000617764302 469796602 /nfs/dbraw/zinc/79/66/02/469796602.db2.gz RDYMBEYAXAEFFF-LJQANCHMSA-N 2 2 347.503 2.080 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CO[C@@H]1CCCc2ccccc21 ZINC000617764302 469796608 /nfs/dbraw/zinc/79/66/08/469796608.db2.gz RDYMBEYAXAEFFF-LJQANCHMSA-N 2 2 347.503 2.080 10 0 EEAELP Cc1csc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)n1 ZINC000623958802 469805962 /nfs/dbraw/zinc/80/59/62/469805962.db2.gz ZTMLEBAOVJREFV-STQMWFEESA-N 2 2 333.461 2.027 10 0 EEAELP c1[nH+]cn2c1c(N1CC[C@@H](C[NH+]3CCOCC3)C1)nc1ccccc12 ZINC000623997123 469814885 /nfs/dbraw/zinc/81/48/85/469814885.db2.gz BZBXHWLNKBXTLF-HNNXBMFYSA-N 2 2 337.427 2.041 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000624352212 469915033 /nfs/dbraw/zinc/91/50/33/469915033.db2.gz NAWVZIGZACUTAH-OAHLLOKOSA-N 2 2 342.443 2.333 10 0 EEAELP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](CCCF)CC1 ZINC000627956481 470032492 /nfs/dbraw/zinc/03/24/92/470032492.db2.gz IFDBRSUUPGSNBA-UHFFFAOYSA-N 2 2 330.407 2.049 10 0 EEAELP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC1CC1 ZINC000628184016 470071798 /nfs/dbraw/zinc/07/17/98/470071798.db2.gz XBIMKXRHCBSHEO-KRWDZBQOSA-N 2 2 346.471 2.391 10 0 EEAELP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)cc1OC1CC1 ZINC000628184016 470071801 /nfs/dbraw/zinc/07/18/01/470071801.db2.gz XBIMKXRHCBSHEO-KRWDZBQOSA-N 2 2 346.471 2.391 10 0 EEAELP CC[N@H+](C[C@@H](O)CC1(O)CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000625198218 470093552 /nfs/dbraw/zinc/09/35/52/470093552.db2.gz RXMGJNTUAFVECL-SFHVURJKSA-N 2 2 347.503 2.286 10 0 EEAELP CC[N@@H+](C[C@@H](O)CC1(O)CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000625198218 470093554 /nfs/dbraw/zinc/09/35/54/470093554.db2.gz RXMGJNTUAFVECL-SFHVURJKSA-N 2 2 347.503 2.286 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885523 470189227 /nfs/dbraw/zinc/18/92/27/470189227.db2.gz BJINEHXAAJYYOC-TZMCWYRMSA-N 2 2 341.908 2.434 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885523 470189228 /nfs/dbraw/zinc/18/92/28/470189228.db2.gz BJINEHXAAJYYOC-TZMCWYRMSA-N 2 2 341.908 2.434 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649294419 470534056 /nfs/dbraw/zinc/53/40/56/470534056.db2.gz SMTCKVPWENVRPI-MKVSYHDVSA-N 2 2 333.863 2.011 10 0 EEAELP COc1cccc(OC)c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000643886195 470811254 /nfs/dbraw/zinc/81/12/54/470811254.db2.gz RLXXDEJRGFPHNR-QGZVFWFLSA-N 2 2 347.503 2.306 10 0 EEAELP COc1cccc(OC)c1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000643886195 470811259 /nfs/dbraw/zinc/81/12/59/470811259.db2.gz RLXXDEJRGFPHNR-QGZVFWFLSA-N 2 2 347.503 2.306 10 0 EEAELP COc1ncncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000647189872 470852555 /nfs/dbraw/zinc/85/25/55/470852555.db2.gz WENREZCCCPPUIU-MAUKXSAKSA-N 2 2 326.444 2.485 10 0 EEAELP COc1ncncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000647189872 470852557 /nfs/dbraw/zinc/85/25/57/470852557.db2.gz WENREZCCCPPUIU-MAUKXSAKSA-N 2 2 326.444 2.485 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899125 471010864 /nfs/dbraw/zinc/01/08/64/471010864.db2.gz AEDDHPUYDOPHBQ-VYDXJSESSA-N 2 2 335.517 2.259 10 0 EEAELP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899125 471010867 /nfs/dbraw/zinc/01/08/67/471010867.db2.gz AEDDHPUYDOPHBQ-VYDXJSESSA-N 2 2 335.517 2.259 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957572 471027046 /nfs/dbraw/zinc/02/70/46/471027046.db2.gz DQNHCMFNGREQFX-IBGZPJMESA-N 2 2 347.528 2.279 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957572 471027049 /nfs/dbraw/zinc/02/70/49/471027049.db2.gz DQNHCMFNGREQFX-IBGZPJMESA-N 2 2 347.528 2.279 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162202 471106656 /nfs/dbraw/zinc/10/66/56/471106656.db2.gz ORLXIIMELHFUMK-KFWWJZLASA-N 2 2 325.815 2.093 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162202 471106661 /nfs/dbraw/zinc/10/66/61/471106661.db2.gz ORLXIIMELHFUMK-KFWWJZLASA-N 2 2 325.815 2.093 10 0 EEAELP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000657364268 471114856 /nfs/dbraw/zinc/11/48/56/471114856.db2.gz KEFDYPBTFGZMDO-LBPRGKRZSA-N 2 2 346.397 2.029 10 0 EEAELP C[C@@H](Cc1cnccn1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000651297768 471119350 /nfs/dbraw/zinc/11/93/50/471119350.db2.gz XBLMBGCBCFVDLR-FXAWDEMLSA-N 2 2 340.471 2.024 10 0 EEAELP C[C@@H](Cc1cnccn1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000651297768 471119354 /nfs/dbraw/zinc/11/93/54/471119354.db2.gz XBLMBGCBCFVDLR-FXAWDEMLSA-N 2 2 340.471 2.024 10 0 EEAELP CN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000651314522 471124810 /nfs/dbraw/zinc/12/48/10/471124810.db2.gz CCTBOKUFNMXKSU-IPMKNSEASA-N 2 2 333.520 2.440 10 0 EEAELP CN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000651314522 471124816 /nfs/dbraw/zinc/12/48/16/471124816.db2.gz CCTBOKUFNMXKSU-IPMKNSEASA-N 2 2 333.520 2.440 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@H+]3CCCC[C@@H]3C)cn21 ZINC000645157266 471157019 /nfs/dbraw/zinc/15/70/19/471157019.db2.gz ORUWUIIBJVMHPU-HNNXBMFYSA-N 2 2 343.475 2.359 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)NCC[N@@H+]3CCCC[C@@H]3C)cn21 ZINC000645157266 471157024 /nfs/dbraw/zinc/15/70/24/471157024.db2.gz ORUWUIIBJVMHPU-HNNXBMFYSA-N 2 2 343.475 2.359 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657523099 471161400 /nfs/dbraw/zinc/16/14/00/471161400.db2.gz DFQFXSMZRCUWQU-INIZCTEOSA-N 2 2 333.476 2.116 10 0 EEAELP CN(C)C(=O)COc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657523099 471161405 /nfs/dbraw/zinc/16/14/05/471161405.db2.gz DFQFXSMZRCUWQU-INIZCTEOSA-N 2 2 333.476 2.116 10 0 EEAELP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)nn1C ZINC000657595295 471180451 /nfs/dbraw/zinc/18/04/51/471180451.db2.gz GOQKIQDRNUFEDX-INIZCTEOSA-N 2 2 348.878 2.238 10 0 EEAELP Cc1c(Cl)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)nn1C ZINC000657595295 471180457 /nfs/dbraw/zinc/18/04/57/471180457.db2.gz GOQKIQDRNUFEDX-INIZCTEOSA-N 2 2 348.878 2.238 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249410 471279867 /nfs/dbraw/zinc/27/98/67/471279867.db2.gz DZIMTIOXFDZNSD-RTBURBONSA-N 2 2 342.531 2.414 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C2(CN3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249410 471279871 /nfs/dbraw/zinc/27/98/71/471279871.db2.gz DZIMTIOXFDZNSD-RTBURBONSA-N 2 2 342.531 2.414 10 0 EEAELP C[C@@H]1C[C@H](NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC[N@@H+]1C ZINC000658249410 471279873 /nfs/dbraw/zinc/27/98/73/471279873.db2.gz DZIMTIOXFDZNSD-RTBURBONSA-N 2 2 342.531 2.414 10 0 EEAELP C[C@@H]1C[C@H](NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC[N@H+]1C ZINC000658249410 471279875 /nfs/dbraw/zinc/27/98/75/471279875.db2.gz DZIMTIOXFDZNSD-RTBURBONSA-N 2 2 342.531 2.414 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCC3(C4CCC4)CCC3)C2)CC1 ZINC000652370687 471281003 /nfs/dbraw/zinc/28/10/03/471281003.db2.gz KEPNBKRYBVRMOG-KRWDZBQOSA-N 2 2 348.535 2.425 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCC3(C4CCC4)CCC3)C2)CC1 ZINC000652370687 471281005 /nfs/dbraw/zinc/28/10/05/471281005.db2.gz KEPNBKRYBVRMOG-KRWDZBQOSA-N 2 2 348.535 2.425 10 0 EEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655475505 471341935 /nfs/dbraw/zinc/34/19/35/471341935.db2.gz DWHPCAQMCBWFCV-LPHOPBHVSA-N 2 2 347.890 2.204 10 0 EEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655475505 471341940 /nfs/dbraw/zinc/34/19/40/471341940.db2.gz DWHPCAQMCBWFCV-LPHOPBHVSA-N 2 2 347.890 2.204 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000666333825 471361372 /nfs/dbraw/zinc/36/13/72/471361372.db2.gz QJQHJYAZTJDJJF-CRAIPNDOSA-N 2 2 332.492 2.387 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000666333825 471361378 /nfs/dbraw/zinc/36/13/78/471361378.db2.gz QJQHJYAZTJDJJF-CRAIPNDOSA-N 2 2 332.492 2.387 10 0 EEAELP c1cn(-c2ccc(C[NH+]3CCN(c4ncns4)CC3)cc2)c[nH+]1 ZINC000660702198 471451243 /nfs/dbraw/zinc/45/12/43/471451243.db2.gz HKCDUUDOEJTGLV-UHFFFAOYSA-N 2 2 326.429 2.046 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655824971 471496849 /nfs/dbraw/zinc/49/68/49/471496849.db2.gz SDDGHYXNUFIHOH-ZACQAIPSSA-N 2 2 328.460 2.460 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1[nH+]ccn1C ZINC000661030109 471596180 /nfs/dbraw/zinc/59/61/80/471596180.db2.gz WPMOQPRDPKTYFC-HLLBOEOZSA-N 2 2 341.459 2.301 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1[nH+]ccn1C ZINC000661030109 471596183 /nfs/dbraw/zinc/59/61/83/471596183.db2.gz WPMOQPRDPKTYFC-HLLBOEOZSA-N 2 2 341.459 2.301 10 0 EEAELP CCCOc1cccc2c(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)cc[nH+]c12 ZINC000656219046 471638907 /nfs/dbraw/zinc/63/89/07/471638907.db2.gz LDRMFYGVXSCEFT-LSDHHAIUSA-N 2 2 327.428 2.279 10 0 EEAELP CCCOc1cccc2c(N3CC[N@H+]4C[C@H](O)C[C@H]4C3)cc[nH+]c12 ZINC000656219046 471638912 /nfs/dbraw/zinc/63/89/12/471638912.db2.gz LDRMFYGVXSCEFT-LSDHHAIUSA-N 2 2 327.428 2.279 10 0 EEAELP C[N@H+](CCO[C@H]1CC1(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659990810 471818028 /nfs/dbraw/zinc/81/80/28/471818028.db2.gz HQBKDLPWGCLTJI-KRWDZBQOSA-N 2 2 339.430 2.445 10 0 EEAELP C[N@@H+](CCO[C@H]1CC1(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000659990810 471818032 /nfs/dbraw/zinc/81/80/32/471818032.db2.gz HQBKDLPWGCLTJI-KRWDZBQOSA-N 2 2 339.430 2.445 10 0 EEAELP CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667566788 471825268 /nfs/dbraw/zinc/82/52/68/471825268.db2.gz HLLBVZVYSBBBSJ-OAHLLOKOSA-N 2 2 327.432 2.006 10 0 EEAELP C[C@H]1C[N@H+](Cc2c(C3CCC3)cnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683412 471866131 /nfs/dbraw/zinc/86/61/31/471866131.db2.gz PEDYSIVFIXSYJI-LPHOPBHVSA-N 2 2 345.535 2.145 10 0 EEAELP C[C@H]1C[N@@H+](Cc2c(C3CCC3)cnn2C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000667683412 471866134 /nfs/dbraw/zinc/86/61/34/471866134.db2.gz PEDYSIVFIXSYJI-LPHOPBHVSA-N 2 2 345.535 2.145 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000654363068 471928655 /nfs/dbraw/zinc/92/86/55/471928655.db2.gz IQSWJAKODAACAG-VDISTLRHSA-N 2 2 335.839 2.127 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299930 471995396 /nfs/dbraw/zinc/99/53/96/471995396.db2.gz VMZKORCUNRXYOV-HYVNUMGLSA-N 2 2 326.444 2.216 10 0 EEAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000665314204 472001895 /nfs/dbraw/zinc/00/18/95/472001895.db2.gz CKFBCCNJEGLWKJ-RHSMWYFYSA-N 2 2 342.443 2.451 10 0 EEAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000665314204 472001898 /nfs/dbraw/zinc/00/18/98/472001898.db2.gz CKFBCCNJEGLWKJ-RHSMWYFYSA-N 2 2 342.443 2.451 10 0 EEAELP Fc1ccc(-c2noc([C@H]3CCC[N@H+](C[C@@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662258140 472046333 /nfs/dbraw/zinc/04/63/33/472046333.db2.gz SDDDXFPVQKZZRK-HOCLYGCPSA-N 2 2 346.406 2.044 10 0 EEAELP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](C[C@@H]4C[NH2+]CCO4)C3)n2)cc1 ZINC000662258140 472046336 /nfs/dbraw/zinc/04/63/36/472046336.db2.gz SDDDXFPVQKZZRK-HOCLYGCPSA-N 2 2 346.406 2.044 10 0 EEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317263 472067675 /nfs/dbraw/zinc/06/76/75/472067675.db2.gz NZVNWZXRQVRHEF-IEBWSBKVSA-N 2 2 347.503 2.249 10 0 EEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317263 472067678 /nfs/dbraw/zinc/06/76/78/472067678.db2.gz NZVNWZXRQVRHEF-IEBWSBKVSA-N 2 2 347.503 2.249 10 0 EEAELP Cc1[nH+]cc(CN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000668285977 472070856 /nfs/dbraw/zinc/07/08/56/472070856.db2.gz WXWALVLAPDCRBW-PMACEKPBSA-N 2 2 340.471 2.204 10 0 EEAELP Cc1[nH+]cc(CN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000668285977 472070860 /nfs/dbraw/zinc/07/08/60/472070860.db2.gz WXWALVLAPDCRBW-PMACEKPBSA-N 2 2 340.471 2.204 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000662325054 472071224 /nfs/dbraw/zinc/07/12/24/472071224.db2.gz HEHZDNPJTAJIEE-HXUWFJFHSA-N 2 2 342.487 2.474 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3)c2)CCO1 ZINC000662325054 472071230 /nfs/dbraw/zinc/07/12/30/472071230.db2.gz HEHZDNPJTAJIEE-HXUWFJFHSA-N 2 2 342.487 2.474 10 0 EEAELP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000668419215 472122145 /nfs/dbraw/zinc/12/21/45/472122145.db2.gz XXGXVFQHVICWJC-CQSZACIVSA-N 2 2 342.443 2.484 10 0 EEAELP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000668419215 472122150 /nfs/dbraw/zinc/12/21/50/472122150.db2.gz XXGXVFQHVICWJC-CQSZACIVSA-N 2 2 342.443 2.484 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)C1([NH2+]C2CC2)CCC1)c1c(F)cccc1F ZINC000662735599 472227706 /nfs/dbraw/zinc/22/77/06/472227706.db2.gz WORAENHKPPVYCW-HNNXBMFYSA-N 2 2 337.414 2.358 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)CC(F)(F)F ZINC000668689406 472228299 /nfs/dbraw/zinc/22/82/99/472228299.db2.gz QXSUGFLYIFVEOY-UHFFFAOYSA-N 2 2 337.430 2.449 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)CC(F)(F)F ZINC000668689406 472228304 /nfs/dbraw/zinc/22/83/04/472228304.db2.gz QXSUGFLYIFVEOY-UHFFFAOYSA-N 2 2 337.430 2.449 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000668793536 472271456 /nfs/dbraw/zinc/27/14/56/472271456.db2.gz FOSSADXOMFVLTD-UHFFFAOYSA-N 2 2 340.456 2.261 10 0 EEAELP Fc1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cnn[nH]2)cc1 ZINC000671122422 485763181 /nfs/dbraw/zinc/76/31/81/485763181.db2.gz RVLHYEGLYSOHIZ-SFHVURJKSA-N 2 2 329.423 2.497 10 0 EEAELP Fc1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cn[nH]n2)cc1 ZINC000671122422 485763187 /nfs/dbraw/zinc/76/31/87/485763187.db2.gz RVLHYEGLYSOHIZ-SFHVURJKSA-N 2 2 329.423 2.497 10 0 EEAELP Fc1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2c[nH]nn2)cc1 ZINC000671122422 485763190 /nfs/dbraw/zinc/76/31/90/485763190.db2.gz RVLHYEGLYSOHIZ-SFHVURJKSA-N 2 2 329.423 2.497 10 0 EEAELP C[C@@H]1CC[C@]2(CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000679762125 485808210 /nfs/dbraw/zinc/80/82/10/485808210.db2.gz OUHZJGYPIUWMIN-UWVAXJGDSA-N 2 2 348.535 2.377 10 0 EEAELP C[C@@H]1CC[C@]2(CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000679762125 485808216 /nfs/dbraw/zinc/80/82/16/485808216.db2.gz OUHZJGYPIUWMIN-UWVAXJGDSA-N 2 2 348.535 2.377 10 0 EEAELP COc1ccc([C@@H](CCn2cncn2)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000682131683 486426592 /nfs/dbraw/zinc/42/65/92/486426592.db2.gz CBJOXGZMGJYVGM-FUHWJXTLSA-N 2 2 329.448 2.102 10 0 EEAELP COc1ccc([C@@H](CCn2cncn2)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000682131683 486426594 /nfs/dbraw/zinc/42/65/94/486426594.db2.gz CBJOXGZMGJYVGM-FUHWJXTLSA-N 2 2 329.448 2.102 10 0 EEAELP C[NH+]1CCN(c2cccc(Cl)c2CN[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678359580 486623825 /nfs/dbraw/zinc/62/38/25/486623825.db2.gz UNAKAPGUPQBDEU-OAHLLOKOSA-N 2 2 336.911 2.276 10 0 EEAELP C[NH+]1CCN(c2cccc(Cl)c2CN[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678359580 486623827 /nfs/dbraw/zinc/62/38/27/486623827.db2.gz UNAKAPGUPQBDEU-OAHLLOKOSA-N 2 2 336.911 2.276 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[N@@H+]1C1CC1 ZINC000120754391 490617434 /nfs/dbraw/zinc/61/74/34/490617434.db2.gz ZLHMACCLZLCZIJ-YPMHNXCESA-N 2 2 347.850 2.412 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[N@H+]1C1CC1 ZINC000120754391 490617441 /nfs/dbraw/zinc/61/74/41/490617441.db2.gz ZLHMACCLZLCZIJ-YPMHNXCESA-N 2 2 347.850 2.412 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000765291602 577498693 /nfs/dbraw/zinc/49/86/93/577498693.db2.gz PJDVSOZOQAUHND-HNNXBMFYSA-N 2 2 331.382 2.234 10 0 EEAELP C[NH+]1C[C@@]2(C)C[NH+](CCc3nc4ccccc4c(=O)[nH]3)C[C@]2(C)C1 ZINC000931308919 684948682 /nfs/dbraw/zinc/94/86/82/684948682.db2.gz XXNOHRLFUGNCQN-OALUTQOASA-N 2 2 326.444 2.152 10 0 EEAELP C[C@H]1[C@@H](NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000923809909 693282797 /nfs/dbraw/zinc/28/27/97/693282797.db2.gz DPDQERVUHXJWCI-VGWMRTNUSA-N 2 2 331.464 2.197 10 0 EEAELP C[C@H]1[C@@H](NC(=O)N[C@H]2CC[C@H](Nc3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000923809909 693282799 /nfs/dbraw/zinc/28/27/99/693282799.db2.gz DPDQERVUHXJWCI-VGWMRTNUSA-N 2 2 331.464 2.197 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001485508383 1191819685 /nfs/dbraw/zinc/81/96/85/1191819685.db2.gz CUJUROBQENSNLQ-OLZOCXBDSA-N 2 2 340.418 2.214 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001485508383 1191819687 /nfs/dbraw/zinc/81/96/87/1191819687.db2.gz CUJUROBQENSNLQ-OLZOCXBDSA-N 2 2 340.418 2.214 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001485508385 1191819693 /nfs/dbraw/zinc/81/96/93/1191819693.db2.gz CUJUROBQENSNLQ-STQMWFEESA-N 2 2 340.418 2.214 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1 ZINC001485508385 1191819694 /nfs/dbraw/zinc/81/96/94/1191819694.db2.gz CUJUROBQENSNLQ-STQMWFEESA-N 2 2 340.418 2.214 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1)[NH+](C)C ZINC001266483115 1176615696 /nfs/dbraw/zinc/61/56/96/1176615696.db2.gz OIDIHGXANRZGSZ-CABCVRRESA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1)[NH+](C)C ZINC001266483115 1176615704 /nfs/dbraw/zinc/61/57/04/1176615704.db2.gz OIDIHGXANRZGSZ-CABCVRRESA-N 2 2 338.883 2.156 10 0 EEAELP CC[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001670575627 1176920027 /nfs/dbraw/zinc/92/00/27/1176920027.db2.gz NEERESACSSEQFO-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP CC[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001670575627 1176920034 /nfs/dbraw/zinc/92/00/34/1176920034.db2.gz NEERESACSSEQFO-MAUKXSAKSA-N 2 2 348.491 2.128 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001266730676 1177316692 /nfs/dbraw/zinc/31/66/92/1177316692.db2.gz CEDKZNDRPMKOOX-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001266730676 1177316700 /nfs/dbraw/zinc/31/67/00/1177316700.db2.gz CEDKZNDRPMKOOX-MGPQQGTHSA-N 2 2 340.418 2.387 10 0 EEAELP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001691153173 1177645527 /nfs/dbraw/zinc/64/55/27/1177645527.db2.gz MTKMRSPCIVKICX-KRJKFKNKSA-N 2 2 330.476 2.286 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001691369348 1177973434 /nfs/dbraw/zinc/97/34/34/1177973434.db2.gz NFQIWGKBVMGXSX-MOTZXUDYSA-N 2 2 338.455 2.207 10 0 EEAELP CC(C)=CC[NH2+]CCc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001267098000 1178234493 /nfs/dbraw/zinc/23/44/93/1178234493.db2.gz BYIRDTYETFBHQZ-UHFFFAOYSA-N 2 2 326.444 2.367 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001267175890 1178419604 /nfs/dbraw/zinc/41/96/04/1178419604.db2.gz VJSIFDINMPVIMH-SJLPKXTDSA-N 2 2 337.508 2.011 10 0 EEAELP CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001267175890 1178419610 /nfs/dbraw/zinc/41/96/10/1178419610.db2.gz VJSIFDINMPVIMH-SJLPKXTDSA-N 2 2 337.508 2.011 10 0 EEAELP CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001267175890 1178419614 /nfs/dbraw/zinc/41/96/14/1178419614.db2.gz VJSIFDINMPVIMH-SJLPKXTDSA-N 2 2 337.508 2.011 10 0 EEAELP CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001267175890 1178419617 /nfs/dbraw/zinc/41/96/17/1178419617.db2.gz VJSIFDINMPVIMH-SJLPKXTDSA-N 2 2 337.508 2.011 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCOC1 ZINC001267273773 1178656344 /nfs/dbraw/zinc/65/63/44/1178656344.db2.gz LZLOWOPOQUHAPL-HNNXBMFYSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@@H]1CCOC1 ZINC001267273773 1178656348 /nfs/dbraw/zinc/65/63/48/1178656348.db2.gz LZLOWOPOQUHAPL-HNNXBMFYSA-N 2 2 344.459 2.430 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001481102373 1179741891 /nfs/dbraw/zinc/74/18/91/1179741891.db2.gz KUOUKOATLSWMER-LPHOPBHVSA-N 2 2 338.455 2.399 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001481102373 1179741895 /nfs/dbraw/zinc/74/18/95/1179741895.db2.gz KUOUKOATLSWMER-LPHOPBHVSA-N 2 2 338.455 2.399 10 0 EEAELP CN(CC[NH2+]CCc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001481242151 1180412846 /nfs/dbraw/zinc/41/28/46/1180412846.db2.gz GBLQUQJZEWWIOM-ZIAGYGMSSA-N 2 2 348.397 2.082 10 0 EEAELP CN(CC[NH2+]CCc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001481242151 1180412848 /nfs/dbraw/zinc/41/28/48/1180412848.db2.gz GBLQUQJZEWWIOM-ZIAGYGMSSA-N 2 2 348.397 2.082 10 0 EEAELP CCCC[NH2+]C[C@](C)(NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001267853057 1180634808 /nfs/dbraw/zinc/63/48/08/1180634808.db2.gz KBACHQJFVPNSCI-IBGZPJMESA-N 2 2 332.492 2.437 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481449694 1181377485 /nfs/dbraw/zinc/37/74/85/1181377485.db2.gz GSOMNOOLURTLLC-HOCLYGCPSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001481449694 1181377490 /nfs/dbraw/zinc/37/74/90/1181377490.db2.gz GSOMNOOLURTLLC-HOCLYGCPSA-N 2 2 345.447 2.159 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001481690669 1182215611 /nfs/dbraw/zinc/21/56/11/1182215611.db2.gz TVFIEVDZTOSBLQ-FDRQBBGKSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001481690669 1182215616 /nfs/dbraw/zinc/21/56/16/1182215616.db2.gz TVFIEVDZTOSBLQ-FDRQBBGKSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)cs1 ZINC001268408097 1182531847 /nfs/dbraw/zinc/53/18/47/1182531847.db2.gz XLTWVQLWPWMSTR-QWHCGFSZSA-N 2 2 335.477 2.284 10 0 EEAELP CCN(CC[NH2+]CC1CCCCC1)C(=O)C(C)(C)[NH+]1CCOCC1 ZINC001268488874 1182973883 /nfs/dbraw/zinc/97/38/83/1182973883.db2.gz GHSLIPQVTSASNY-UHFFFAOYSA-N 2 2 339.524 2.116 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)Cc2c[nH]c[nH+]2)C2CC2)c(C)n1 ZINC001481942749 1183004212 /nfs/dbraw/zinc/00/42/12/1183004212.db2.gz SEBJPECVZLRPCW-LJQANCHMSA-N 2 2 341.459 2.039 10 0 EEAELP Cc1cc(C[NH+]2CCC(CCNC(=O)Cn3cc[nH+]c3)CC2)sn1 ZINC001482052537 1183249573 /nfs/dbraw/zinc/24/95/73/1183249573.db2.gz NVKPGMMWQVCDOP-UHFFFAOYSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@@H+](CCOCC(C)C)C3)ccn12 ZINC001269129919 1183989127 /nfs/dbraw/zinc/98/91/27/1183989127.db2.gz VANXZOZAXMVGER-QGZVFWFLSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H]3CC[N@H+](CCOCC(C)C)C3)ccn12 ZINC001269129919 1183989133 /nfs/dbraw/zinc/98/91/33/1183989133.db2.gz VANXZOZAXMVGER-QGZVFWFLSA-N 2 2 344.459 2.119 10 0 EEAELP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482446001 1185761058 /nfs/dbraw/zinc/76/10/58/1185761058.db2.gz NGOVIHFWPSGALK-JDTHPWDHSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482446001 1185761064 /nfs/dbraw/zinc/76/10/64/1185761064.db2.gz NGOVIHFWPSGALK-JDTHPWDHSA-N 2 2 337.508 2.034 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)CC[NH2+]Cc1cnccc1C ZINC001482843715 1187762825 /nfs/dbraw/zinc/76/28/25/1187762825.db2.gz RIOFDKJPBHDKMU-OAHLLOKOSA-N 2 2 342.443 2.021 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CC[C@@H]3CCCCO3)ccn12 ZINC001483227782 1189519578 /nfs/dbraw/zinc/51/95/78/1189519578.db2.gz SYMJLCMLGJJMSQ-YOEHRIQHSA-N 2 2 344.459 2.310 10 0 EEAELP Cc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001485888742 1193630762 /nfs/dbraw/zinc/63/07/62/1193630762.db2.gz RGASEFGYOXYRER-YOEHRIQHSA-N 2 2 347.463 2.403 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001485925988 1193642344 /nfs/dbraw/zinc/64/23/44/1193642344.db2.gz GPXLKISJFNLSTA-MRXNPFEDSA-N 2 2 328.460 2.330 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)c2cccc3[nH+]ccn32)c(C)n1 ZINC001483248163 1190278031 /nfs/dbraw/zinc/27/80/31/1190278031.db2.gz OHFXZHNOJXAHNC-AWEZNQCLSA-N 2 2 337.427 2.254 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483393247 1190437721 /nfs/dbraw/zinc/43/77/21/1190437721.db2.gz OOBOWHKPCJCHGF-GDBMZVCRSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001483393247 1190437724 /nfs/dbraw/zinc/43/77/24/1190437724.db2.gz OOBOWHKPCJCHGF-GDBMZVCRSA-N 2 2 336.480 2.184 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCCF)CCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483901780 1191107742 /nfs/dbraw/zinc/10/77/42/1191107742.db2.gz NDPDJHKTVLIZGC-CABCVRRESA-N 2 2 336.455 2.091 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001484064777 1191190071 /nfs/dbraw/zinc/19/00/71/1191190071.db2.gz GOZVGGNULCCCOY-SFHVURJKSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001484064777 1191190073 /nfs/dbraw/zinc/19/00/73/1191190073.db2.gz GOZVGGNULCCCOY-SFHVURJKSA-N 2 2 345.447 2.049 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)CC1 ZINC001484572122 1191421925 /nfs/dbraw/zinc/42/19/25/1191421925.db2.gz CEJOONQYWNYTSF-HAQNSBGRSA-N 2 2 332.370 2.169 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1COCC[N@@H+]1CCC1CC1 ZINC001484594202 1191435852 /nfs/dbraw/zinc/43/58/52/1191435852.db2.gz SXQVGWFQCVWETP-NVXWUHKLSA-N 2 2 348.491 2.014 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1COCC[N@H+]1CCC1CC1 ZINC001484594202 1191435853 /nfs/dbraw/zinc/43/58/53/1191435853.db2.gz SXQVGWFQCVWETP-NVXWUHKLSA-N 2 2 348.491 2.014 10 0 EEAELP CN(CCC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761499 1191502083 /nfs/dbraw/zinc/50/20/83/1191502083.db2.gz VWTJRBBPNMQDLX-GFCCVEGCSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001484761499 1191502085 /nfs/dbraw/zinc/50/20/85/1191502085.db2.gz VWTJRBBPNMQDLX-GFCCVEGCSA-N 2 2 347.290 2.316 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]C/C(Cl)=C\Cl ZINC001484994805 1191609713 /nfs/dbraw/zinc/60/97/13/1191609713.db2.gz JTBQBJDXZJMZNV-LOTJYQEQSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001485219358 1191690356 /nfs/dbraw/zinc/69/03/56/1191690356.db2.gz XSXKAJYDIQLDNJ-CHWSQXEVSA-N 2 2 332.423 2.413 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)Cc1cccc(F)c1 ZINC001485319385 1191733505 /nfs/dbraw/zinc/73/35/05/1191733505.db2.gz HUUVZVUNSIRAGQ-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)Cc1cccc(F)c1 ZINC001485319385 1191733506 /nfs/dbraw/zinc/73/35/06/1191733506.db2.gz HUUVZVUNSIRAGQ-HOCLYGCPSA-N 2 2 344.434 2.221 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@H+](C)CC1=CCCCC1 ZINC001485321472 1191734296 /nfs/dbraw/zinc/73/42/96/1191734296.db2.gz WXZIMCJTIDUERP-WBVHZDCISA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CC1=CCCCC1 ZINC001485321472 1191734297 /nfs/dbraw/zinc/73/42/97/1191734297.db2.gz WXZIMCJTIDUERP-WBVHZDCISA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC001485395450 1191772313 /nfs/dbraw/zinc/77/23/13/1191772313.db2.gz MPUQULKMGSUHPK-KBPBESRZSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC001485395450 1191772315 /nfs/dbraw/zinc/77/23/15/1191772315.db2.gz MPUQULKMGSUHPK-KBPBESRZSA-N 2 2 328.407 2.145 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]CC[C@@H]2CCCO2)CCCCC1 ZINC001485456343 1191792382 /nfs/dbraw/zinc/79/23/82/1191792382.db2.gz PTMPGVWGWCNLHY-INIZCTEOSA-N 2 2 348.491 2.238 10 0 EEAELP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC001486180749 1193717865 /nfs/dbraw/zinc/71/78/65/1193717865.db2.gz PGAKVHUQVYNXIG-YOEHRIQHSA-N 2 2 348.466 2.032 10 0 EEAELP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1Cc1cncc(F)c1 ZINC001486180749 1193717866 /nfs/dbraw/zinc/71/78/66/1193717866.db2.gz PGAKVHUQVYNXIG-YOEHRIQHSA-N 2 2 348.466 2.032 10 0 EEAELP CCOCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001486207422 1193720536 /nfs/dbraw/zinc/72/05/36/1193720536.db2.gz RCMKWNDEEHCMDV-GOEBONIOSA-N 2 2 344.459 2.478 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001273066245 1194364953 /nfs/dbraw/zinc/36/49/53/1194364953.db2.gz BPGNKJCCPLMQDB-QWHCGFSZSA-N 2 2 349.866 2.321 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001273066245 1194364957 /nfs/dbraw/zinc/36/49/57/1194364957.db2.gz BPGNKJCCPLMQDB-QWHCGFSZSA-N 2 2 349.866 2.321 10 0 EEAELP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c(C)o1 ZINC001410231871 1197621070 /nfs/dbraw/zinc/62/10/70/1197621070.db2.gz VJMRODOJCRQAEP-DAXOMENPSA-N 2 2 345.447 2.124 10 0 EEAELP CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001410295971 1197676402 /nfs/dbraw/zinc/67/64/02/1197676402.db2.gz PQUAVZGFODBHDH-ZWKOTPCHSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1c[nH+]c[nH]1)[NH2+]CC[C@H]1CCCC1(F)F ZINC001410441861 1197902117 /nfs/dbraw/zinc/90/21/17/1197902117.db2.gz CHHRQMJFKHOFPN-CHWSQXEVSA-N 2 2 328.407 2.214 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC(C)C)n2cc[nH+]c2)CCO1 ZINC001273276170 1197945628 /nfs/dbraw/zinc/94/56/28/1197945628.db2.gz GWWNEGPGZBVLGT-ROUUACIJSA-N 2 2 348.491 2.254 10 0 EEAELP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865495386 1198247046 /nfs/dbraw/zinc/24/70/46/1198247046.db2.gz LJIJFAHNMSPTID-GJZGRUSLSA-N 2 2 327.831 2.342 10 0 EEAELP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(C(C)(C)C)o3)cn2)CC1 ZINC000865815167 1198387929 /nfs/dbraw/zinc/38/79/29/1198387929.db2.gz VSWNAFQIBUWVOQ-UHFFFAOYSA-N 2 2 343.475 2.409 10 0 EEAELP COCCN(CC1CC[NH+](C)CC1)c1nc(C)[nH+]c2c1CCCC2 ZINC000865996035 1198448936 /nfs/dbraw/zinc/44/89/36/1198448936.db2.gz FCMQPZXEZSVORA-UHFFFAOYSA-N 2 2 332.492 2.458 10 0 EEAELP O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000866518701 1201538432 /nfs/dbraw/zinc/53/84/32/1201538432.db2.gz DWZMIZAIRGITEF-UAPYVXQJSA-N 2 2 348.512 2.455 10 0 EEAELP Cc1nocc1C[NH2+]C/C=C/CNC(=O)c1sccc1C[NH+](C)C ZINC001274076207 1204357010 /nfs/dbraw/zinc/35/70/10/1204357010.db2.gz MQXZBKICGOYENF-SNAWJCMRSA-N 2 2 348.472 2.182 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001274083052 1204361952 /nfs/dbraw/zinc/36/19/52/1204361952.db2.gz XQRDFGLISHFHJQ-QFRLHKFZSA-N 2 2 342.418 2.431 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C\C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001274083052 1204361955 /nfs/dbraw/zinc/36/19/55/1204361955.db2.gz XQRDFGLISHFHJQ-QFRLHKFZSA-N 2 2 342.418 2.431 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001274367654 1205011481 /nfs/dbraw/zinc/01/14/81/1205011481.db2.gz DHSNBDDGJYATBM-KWWITBOBSA-N 2 2 342.418 2.125 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001274629819 1205105677 /nfs/dbraw/zinc/10/56/77/1205105677.db2.gz BLYGQHWJZNQFFU-YYZONTRBSA-N 2 2 346.381 2.111 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1CCCCCF ZINC001274634270 1205107087 /nfs/dbraw/zinc/10/70/87/1205107087.db2.gz OPWMVHBCJMBBFW-HOTGVXAUSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1CCCCCF ZINC001274634270 1205107088 /nfs/dbraw/zinc/10/70/88/1205107088.db2.gz OPWMVHBCJMBBFW-HOTGVXAUSA-N 2 2 338.471 2.462 10 0 EEAELP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC3(OC)OC)cc2)CC1 ZINC000924692792 1206019587 /nfs/dbraw/zinc/01/95/87/1206019587.db2.gz RCDKUVBDXKPYAO-IBGZPJMESA-N 2 2 347.503 2.065 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[N@@H+]1C ZINC000925339423 1206099847 /nfs/dbraw/zinc/09/98/47/1206099847.db2.gz RIYLFYHTLSXEHE-PBHICJAKSA-N 2 2 345.491 2.201 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[N@H+]1C ZINC000925339423 1206099848 /nfs/dbraw/zinc/09/98/48/1206099848.db2.gz RIYLFYHTLSXEHE-PBHICJAKSA-N 2 2 345.491 2.201 10 0 EEAELP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000926332393 1206214061 /nfs/dbraw/zinc/21/40/61/1206214061.db2.gz XOGYCGIFJSOPBB-QSFCEBDXSA-N 2 2 347.425 2.439 10 0 EEAELP C[NH+](C)C[C@]1(O)CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000930905057 1206591211 /nfs/dbraw/zinc/59/12/11/1206591211.db2.gz YVUCSMBBPZTSIF-MRXNPFEDSA-N 2 2 330.831 2.246 10 0 EEAELP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000930905057 1206591213 /nfs/dbraw/zinc/59/12/13/1206591213.db2.gz YVUCSMBBPZTSIF-MRXNPFEDSA-N 2 2 330.831 2.246 10 0 EEAELP Nc1cc[nH+]c2c1C[N@H+](C[C@H](O)COCc1ccccc1Cl)CC2 ZINC000931511967 1207401723 /nfs/dbraw/zinc/40/17/23/1207401723.db2.gz JIFKNLDFAUFURX-AWEZNQCLSA-N 2 2 347.846 2.253 10 0 EEAELP Nc1cc[nH+]c2c1C[N@@H+](C[C@H](O)COCc1ccccc1Cl)CC2 ZINC000931511967 1207401726 /nfs/dbraw/zinc/40/17/26/1207401726.db2.gz JIFKNLDFAUFURX-AWEZNQCLSA-N 2 2 347.846 2.253 10 0 EEAELP 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ZINC000903439495 1240476329 /nfs/dbraw/zinc/47/63/29/1240476329.db2.gz IMCPIFRCYMBECS-VYDXJSESSA-N 2 2 349.906 2.271 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000903439495 1240476337 /nfs/dbraw/zinc/47/63/37/1240476337.db2.gz IMCPIFRCYMBECS-VYDXJSESSA-N 2 2 349.906 2.271 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC001491507317 1259158778 /nfs/dbraw/zinc/15/87/78/1259158778.db2.gz ISVCHXDRRVREPK-HUUCEWRRSA-N 2 2 344.434 2.188 10 0 EEAELP O=C1O[C@H](C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)CN1C1CC1 ZINC000852116356 1291997340 /nfs/dbraw/zinc/99/73/40/1291997340.db2.gz OISPCFODRXQRQA-GOSISDBHSA-N 2 2 329.444 2.224 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2ccccc2cc1N ZINC000852902531 1292228717 /nfs/dbraw/zinc/22/87/17/1292228717.db2.gz HIPGPBCWJXMNEB-UHFFFAOYSA-N 2 2 328.460 2.035 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2ccccc2cc1N ZINC000852902531 1292228724 /nfs/dbraw/zinc/22/87/24/1292228724.db2.gz 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YCPQMJVUCIPRGG-JQWIXIFHSA-N 2 2 347.290 2.281 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[N@@H+](C)CC[C@H]1CC1(Cl)Cl ZINC001282487758 1325731505 /nfs/dbraw/zinc/73/15/05/1325731505.db2.gz YCPQMJVUCIPRGG-JQWIXIFHSA-N 2 2 347.290 2.281 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001282742502 1325777912 /nfs/dbraw/zinc/77/79/12/1325777912.db2.gz UGFDGVBLWKWXQX-CYBMUJFWSA-N 2 2 338.883 2.013 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H](C)C1C[NH+](Cc2cccc(Cl)n2)C1 ZINC001282742502 1325777914 /nfs/dbraw/zinc/77/79/14/1325777914.db2.gz UGFDGVBLWKWXQX-CYBMUJFWSA-N 2 2 338.883 2.013 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C)CCC[NH2+]CCn2cccn2)c(C)[nH+]1 ZINC001283205967 1325955082 /nfs/dbraw/zinc/95/50/82/1325955082.db2.gz VTKKAYBFGHAJRF-HNNXBMFYSA-N 2 2 343.475 2.392 10 0 EEAELP CCCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001283509598 1326105777 /nfs/dbraw/zinc/10/57/77/1326105777.db2.gz VTYUGIPZTTZBPS-IRXDYDNUSA-N 2 2 332.492 2.462 10 0 EEAELP 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/nfs/dbraw/zinc/20/27/37/1331202737.db2.gz MGEPETOXSAKGLF-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CCC[NH+](C)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001492384147 1331202741 /nfs/dbraw/zinc/20/27/41/1331202741.db2.gz MGEPETOXSAKGLF-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP CC(C)CCC[NH+](C)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001492384147 1331202746 /nfs/dbraw/zinc/20/27/46/1331202746.db2.gz MGEPETOXSAKGLF-SFHVURJKSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1CC[NH2+]Cc1cscn1 ZINC001316686529 1331330494 /nfs/dbraw/zinc/33/04/94/1331330494.db2.gz QQVRPJIUTOEWBR-GDBMZVCRSA-N 2 2 347.488 2.147 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001316809408 1331905916 /nfs/dbraw/zinc/90/59/16/1331905916.db2.gz BVLSNGZWNYXFNM-BZUAXINKSA-N 2 2 348.491 2.157 10 0 EEAELP CCOCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC(C)(C)C1 ZINC001316809408 1331905918 /nfs/dbraw/zinc/90/59/18/1331905918.db2.gz 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C[NH+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)Cc1nccs1 ZINC001316835325 1331922883 /nfs/dbraw/zinc/92/28/83/1331922883.db2.gz NHHKVRYXJISTKQ-LSDHHAIUSA-N 2 2 336.505 2.098 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[N@@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001316925228 1331992001 /nfs/dbraw/zinc/99/20/01/1331992001.db2.gz MPUMUJUJQHNJBH-ZDUSSCGKSA-N 2 2 340.418 2.358 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[N@H+](C[C@H]1CCC(F)(F)C1)C1CC1 ZINC001316925228 1331992005 /nfs/dbraw/zinc/99/20/05/1331992005.db2.gz MPUMUJUJQHNJBH-ZDUSSCGKSA-N 2 2 340.418 2.358 10 0 EEAELP Cc1ncsc1C[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001316927589 1331994651 /nfs/dbraw/zinc/99/46/51/1331994651.db2.gz SZTMIIODANBORO-UHFFFAOYSA-N 2 2 347.488 2.196 10 0 EEAELP Cc1ncsc1C[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001316927589 1331994653 /nfs/dbraw/zinc/99/46/53/1331994653.db2.gz SZTMIIODANBORO-UHFFFAOYSA-N 2 2 347.488 2.196 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001317302662 1332171121 /nfs/dbraw/zinc/17/11/21/1332171121.db2.gz ZBMZBQHVRWZYLQ-ZDUSSCGKSA-N 2 2 332.370 2.265 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001317302662 1332171122 /nfs/dbraw/zinc/17/11/22/1332171122.db2.gz ZBMZBQHVRWZYLQ-ZDUSSCGKSA-N 2 2 332.370 2.265 10 0 EEAELP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001317606802 1332322895 /nfs/dbraw/zinc/32/28/95/1332322895.db2.gz VXELHHOSLCNKGB-GOSISDBHSA-N 2 2 340.471 2.045 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001318412329 1332527987 /nfs/dbraw/zinc/52/79/87/1332527987.db2.gz HVSJOUGYWQOGNT-MRXNPFEDSA-N 2 2 344.459 2.382 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001318412329 1332527991 /nfs/dbraw/zinc/52/79/91/1332527991.db2.gz HVSJOUGYWQOGNT-MRXNPFEDSA-N 2 2 344.459 2.382 10 0 EEAELP C[C@H]1CCCC[C@@]1(C[NH2+]CCOC1CCC1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001318745385 1332587415 /nfs/dbraw/zinc/58/74/15/1332587415.db2.gz NNOJXRIULYXYPA-KXBFYZLASA-N 2 2 348.491 2.176 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001318802898 1332600401 /nfs/dbraw/zinc/60/04/01/1332600401.db2.gz CSCYZWFLWYNMTP-ROUUACIJSA-N 2 2 344.503 2.464 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](CC[NH2+]CC[C@H]2CCCO2)C1 ZINC001318818638 1332603992 /nfs/dbraw/zinc/60/39/92/1332603992.db2.gz AFIYKOABMMXAPA-ZWKOTPCHSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001318894735 1332619360 /nfs/dbraw/zinc/61/93/60/1332619360.db2.gz ASRFNTUXHMOYAW-UHFFFAOYSA-N 2 2 345.447 2.057 10 0 EEAELP Cc1ncoc1C[NH2+]CCC1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001318894735 1332619362 /nfs/dbraw/zinc/61/93/62/1332619362.db2.gz ASRFNTUXHMOYAW-UHFFFAOYSA-N 2 2 345.447 2.057 10 0 EEAELP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]CC(F)(F)C(F)F)CC1 ZINC001318968078 1332630759 /nfs/dbraw/zinc/63/07/59/1332630759.db2.gz AOOTVLFXAPYNNP-HAQNSBGRSA-N 2 2 341.393 2.246 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001319134435 1332654209 /nfs/dbraw/zinc/65/42/09/1332654209.db2.gz LVQYQKGNGYGSAA-LJQANCHMSA-N 2 2 340.471 2.269 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)Cc2c[nH+]cn2C)cc1 ZINC001319559705 1332721026 /nfs/dbraw/zinc/72/10/26/1332721026.db2.gz GOISKSUFTPCXKF-INIZCTEOSA-N 2 2 342.487 2.204 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001320152635 1332839795 /nfs/dbraw/zinc/83/97/95/1332839795.db2.gz VCQQYFHGYBIFGU-OLZOCXBDSA-N 2 2 332.370 2.100 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001320470460 1332891396 /nfs/dbraw/zinc/89/13/96/1332891396.db2.gz TVQJMZOBYKMQEQ-ZBFHGGJFSA-N 2 2 344.434 2.269 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]C[C@H]3CCCCO3)ccn12 ZINC001321065462 1333009615 /nfs/dbraw/zinc/00/96/15/1333009615.db2.gz TUOHMBVAEJYYNE-REMYHPOOSA-N 2 2 342.443 2.087 10 0 EEAELP Cc1noc(C)c1C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321120052 1333023638 /nfs/dbraw/zinc/02/36/38/1333023638.db2.gz DLTHLWFPGZYYGP-ONEGZZNKSA-N 2 2 339.399 2.244 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)o1 ZINC001321134314 1333026939 /nfs/dbraw/zinc/02/69/39/1333026939.db2.gz BOPKGYXCFVPZEQ-JEZUCGJFSA-N 2 2 348.491 2.426 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)o1 ZINC001321134314 1333026944 /nfs/dbraw/zinc/02/69/44/1333026944.db2.gz BOPKGYXCFVPZEQ-JEZUCGJFSA-N 2 2 348.491 2.426 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)CCc1[nH+]ccn1C)c1ccccc1 ZINC001321170277 1333036212 /nfs/dbraw/zinc/03/62/12/1333036212.db2.gz UKROYFYJGBUUJV-MOEXGYKKSA-N 2 2 326.444 2.376 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[NH2+]CCOC2CCC2)c[nH+]1 ZINC001324180486 1333629422 /nfs/dbraw/zinc/62/94/22/1333629422.db2.gz JAJUESZFIXBNDR-INIZCTEOSA-N 2 2 348.491 2.076 10 0 EEAELP CC1(C)CC(C[NH2+]CCN(CCO)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001326045031 1334019596 /nfs/dbraw/zinc/01/95/96/1334019596.db2.gz KUFVFKIQPHYMHA-UHFFFAOYSA-N 2 2 344.459 2.023 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)CC1=CCCCC1 ZINC001329474449 1334658390 /nfs/dbraw/zinc/65/83/90/1334658390.db2.gz JZFSHNAGPBGNHZ-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CC1=CCCCC1 ZINC001329474449 1334658391 /nfs/dbraw/zinc/65/83/91/1334658391.db2.gz JZFSHNAGPBGNHZ-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001330621471 1334878525 /nfs/dbraw/zinc/87/85/25/1334878525.db2.gz JSBZKRLYUQYRJG-BZUAXINKSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cnns1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001330839856 1334912964 /nfs/dbraw/zinc/91/29/64/1334912964.db2.gz AMSLARIYFAUPEF-NSHDSACASA-N 2 2 344.444 2.103 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]cn1C)C1CC[NH+](CC[C@H](C)F)CC1 ZINC001479996051 1337658958 /nfs/dbraw/zinc/65/89/58/1337658958.db2.gz ULKUGKOXXSZYNE-HNNXBMFYSA-N 2 2 338.471 2.414 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001413861522 1338273283 /nfs/dbraw/zinc/27/32/83/1338273283.db2.gz TZDHHASFFGDJIR-VQIMIIECSA-N 2 2 336.439 2.211 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@@H]1CCN(c2cc[nH+]cc2)C1 ZINC001413861522 1338273285 /nfs/dbraw/zinc/27/32/85/1338273285.db2.gz TZDHHASFFGDJIR-VQIMIIECSA-N 2 2 336.439 2.211 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001665880309 1355403632 /nfs/dbraw/zinc/40/36/32/1355403632.db2.gz VUERKYOYPGVEOL-RYUDHWBXSA-N 2 2 347.290 2.329 10 0 EEAELP Nc1[nH+]ccc2c1CN(C(=O)c1ccc(C[NH+]3CCCCC3)o1)CC2 ZINC001434258841 1341809548 /nfs/dbraw/zinc/80/95/48/1341809548.db2.gz QRRMBFQLIVPHEN-UHFFFAOYSA-N 2 2 340.427 2.441 10 0 EEAELP Cc1cc(C[NH+]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cs1 ZINC001434861626 1341972599 /nfs/dbraw/zinc/97/25/99/1341972599.db2.gz WQTJBLYFIIQXEF-KRWDZBQOSA-N 2 2 333.501 2.043 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001671654082 1356385010 /nfs/dbraw/zinc/38/50/10/1356385010.db2.gz MSNNTNRKXLOVDM-LIHUFFQZSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001671654082 1356385016 /nfs/dbraw/zinc/38/50/16/1356385016.db2.gz MSNNTNRKXLOVDM-LIHUFFQZSA-N 2 2 330.476 2.382 10 0 EEAELP COCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001566956309 1342660612 /nfs/dbraw/zinc/66/06/12/1342660612.db2.gz UXWVJSOCWDURAL-ROUUACIJSA-N 2 2 348.491 2.155 10 0 EEAELP COCCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001566956309 1342660615 /nfs/dbraw/zinc/66/06/15/1342660615.db2.gz UXWVJSOCWDURAL-ROUUACIJSA-N 2 2 348.491 2.155 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC1CCC([NH2+]CCCF)CC1 ZINC001566984620 1342673458 /nfs/dbraw/zinc/67/34/58/1342673458.db2.gz WHTIIUKMDLHAFX-UHFFFAOYSA-N 2 2 336.455 2.139 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001676002076 1357086090 /nfs/dbraw/zinc/08/60/90/1357086090.db2.gz PCZCYLPFQADPMY-GFCCVEGCSA-N 2 2 349.504 2.111 10 0 EEAELP CCOCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)[C@@H]1C ZINC001676654420 1357175007 /nfs/dbraw/zinc/17/50/07/1357175007.db2.gz AVISRBOOEFXVLL-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP Cc1ccc2c(c1)S[C@@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)C2 ZINC001647309733 1353226128 /nfs/dbraw/zinc/22/61/28/1353226128.db2.gz WGTCGZNZWUIEII-QGZVFWFLSA-N 2 2 335.517 2.012 10 0 EEAELP Cc1ccc2c(c1)S[C@@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)C2 ZINC001647309733 1353226132 /nfs/dbraw/zinc/22/61/32/1353226132.db2.gz WGTCGZNZWUIEII-QGZVFWFLSA-N 2 2 335.517 2.012 10 0 EEAELP CC(C)OCC[NH2+]C1(C)CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001649459736 1353517202 /nfs/dbraw/zinc/51/72/02/1353517202.db2.gz BPRCIFAMBIMSKY-MRXNPFEDSA-N 2 2 336.480 2.230 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]CCc1ccccc1F)n1cc[nH+]c1 ZINC001664218012 1355116059 /nfs/dbraw/zinc/11/60/59/1355116059.db2.gz WLLSJSUEHIHPKT-OAHLLOKOSA-N 2 2 332.423 2.264 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1csc(C2CC2)n1 ZINC001668887043 1356034824 /nfs/dbraw/zinc/03/48/24/1356034824.db2.gz CRSQCUWQBMLVPD-QDLOVBKTSA-N 2 2 348.516 2.267 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]Cc1csc(C2CC2)n1 ZINC001668887043 1356034829 /nfs/dbraw/zinc/03/48/29/1356034829.db2.gz CRSQCUWQBMLVPD-QDLOVBKTSA-N 2 2 348.516 2.267 10 0 EEAELP COCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001671892964 1356433678 /nfs/dbraw/zinc/43/36/78/1356433678.db2.gz WFDIPLIANPNBGL-MDZRGWNJSA-N 2 2 348.491 2.158 10 0 EEAELP COCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001671892964 1356433680 /nfs/dbraw/zinc/43/36/80/1356433680.db2.gz WFDIPLIANPNBGL-MDZRGWNJSA-N 2 2 348.491 2.158 10 0 EEAELP COCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001671892964 1356433683 /nfs/dbraw/zinc/43/36/83/1356433683.db2.gz WFDIPLIANPNBGL-MDZRGWNJSA-N 2 2 348.491 2.158 10 0 EEAELP COCCCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001671892964 1356433685 /nfs/dbraw/zinc/43/36/85/1356433685.db2.gz WFDIPLIANPNBGL-MDZRGWNJSA-N 2 2 348.491 2.158 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001672424391 1356520433 /nfs/dbraw/zinc/52/04/33/1356520433.db2.gz FXJJFFUEJBTGFG-ZFULPLIJSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001672424391 1356520434 /nfs/dbraw/zinc/52/04/34/1356520434.db2.gz FXJJFFUEJBTGFG-ZFULPLIJSA-N 2 2 342.487 2.192 10 0 EEAELP CCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)CO2 ZINC001673569703 1356712357 /nfs/dbraw/zinc/71/23/57/1356712357.db2.gz FXNVUICZWIYAMU-MRXNPFEDSA-N 2 2 348.491 2.156 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001674396309 1356827004 /nfs/dbraw/zinc/82/70/04/1356827004.db2.gz DEJKYLDYNSIGTL-IRXDYDNUSA-N 2 2 336.480 2.230 10 0 EEAELP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1cscn1 ZINC001674495673 1356846944 /nfs/dbraw/zinc/84/69/44/1356846944.db2.gz LSJWDOIKFMVHOR-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)Cc1cscn1 ZINC001674495673 1356846947 /nfs/dbraw/zinc/84/69/47/1356846947.db2.gz LSJWDOIKFMVHOR-INIZCTEOSA-N 2 2 338.521 2.298 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCc1cccs1)C(=O)Cc1[nH]cc[nH+]1 ZINC001674865217 1356904248 /nfs/dbraw/zinc/90/42/48/1356904248.db2.gz GZCQDRCYFNVYCK-UHFFFAOYSA-N 2 2 334.489 2.331 10 0 EEAELP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001675459392 1356986225 /nfs/dbraw/zinc/98/62/25/1356986225.db2.gz XWTOPVJPWHAUJO-JKSUJKDBSA-N 2 2 332.492 2.462 10 0 EEAELP CCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001675459392 1356986228 /nfs/dbraw/zinc/98/62/28/1356986228.db2.gz XWTOPVJPWHAUJO-JKSUJKDBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001675597975 1357011493 /nfs/dbraw/zinc/01/14/93/1357011493.db2.gz FYSAQPBOIJTDEX-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001675597975 1357011499 /nfs/dbraw/zinc/01/14/99/1357011499.db2.gz FYSAQPBOIJTDEX-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)[nH]n1 ZINC001675745980 1357045632 /nfs/dbraw/zinc/04/56/32/1357045632.db2.gz URQBCLMOUUDXPJ-IIDMSEBBSA-N 2 2 345.491 2.075 10 0 EEAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CC3)C2)[nH]n1 ZINC001675745980 1357045635 /nfs/dbraw/zinc/04/56/35/1357045635.db2.gz URQBCLMOUUDXPJ-IIDMSEBBSA-N 2 2 345.491 2.075 10 0 EEAELP CC(C)C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001698869550 1405122564 /nfs/dbraw/zinc/12/25/64/1405122564.db2.gz CPYXTOAKFNMSIW-DLBZAZTESA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)c2cccc3[nH+]ccn32)C(C)C)o1 ZINC001698968168 1405191558 /nfs/dbraw/zinc/19/15/58/1405191558.db2.gz RVRRCSOQYPMGJW-OAHLLOKOSA-N 2 2 341.415 2.175 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001699317085 1405332767 /nfs/dbraw/zinc/33/27/67/1405332767.db2.gz WTMOHJTVYPMCBP-JZIMQPMSSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001699317085 1405332772 /nfs/dbraw/zinc/33/27/72/1405332772.db2.gz WTMOHJTVYPMCBP-JZIMQPMSSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1cccnc1C[NH2+]CCCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001699521445 1405370795 /nfs/dbraw/zinc/37/07/95/1405370795.db2.gz BQDCGJJOOLBIHY-UHFFFAOYSA-N 2 2 337.427 2.290 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1Br ZINC000819320454 785526087 /nfs/dbraw/zinc/52/60/87/785526087.db2.gz BBGGYIXGEBKXBL-ZUZCIYMTSA-N 2 2 336.233 2.353 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000844188341 788894349 /nfs/dbraw/zinc/89/43/49/788894349.db2.gz QMNYEXIIENHANK-YUELXQCFSA-N 2 2 329.435 2.095 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000844188341 788894363 /nfs/dbraw/zinc/89/43/63/788894363.db2.gz QMNYEXIIENHANK-YUELXQCFSA-N 2 2 329.435 2.095 10 0 EEAELP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000921695499 795390423 /nfs/dbraw/zinc/39/04/23/795390423.db2.gz UTRXYDUMQLEMJL-OAGGEKHMSA-N 2 2 336.867 2.089 10 0 EEAELP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000921695499 795390431 /nfs/dbraw/zinc/39/04/31/795390431.db2.gz UTRXYDUMQLEMJL-OAGGEKHMSA-N 2 2 336.867 2.089 10 0 EEAELP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000921695499 795390444 /nfs/dbraw/zinc/39/04/44/795390444.db2.gz UTRXYDUMQLEMJL-OAGGEKHMSA-N 2 2 336.867 2.089 10 0 EEAELP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000921695499 795390456 /nfs/dbraw/zinc/39/04/56/795390456.db2.gz UTRXYDUMQLEMJL-OAGGEKHMSA-N 2 2 336.867 2.089 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCc2ccccc21 ZINC001566503138 1125671295 /nfs/dbraw/zinc/67/12/95/1125671295.db2.gz MQDOCSGKPVOPDG-KRWDZBQOSA-N 2 2 326.444 2.468 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)[C@H]1CCCc2ccccc21 ZINC001566503138 1125671297 /nfs/dbraw/zinc/67/12/97/1125671297.db2.gz MQDOCSGKPVOPDG-KRWDZBQOSA-N 2 2 326.444 2.468 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CC=C(Cl)Cl)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001436954335 1088641509 /nfs/dbraw/zinc/64/15/09/1088641509.db2.gz TVEWDLDTAPFKKR-SDDRHHMPSA-N 2 2 343.258 2.001 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(F)c(F)c1 ZINC001437162056 1089173258 /nfs/dbraw/zinc/17/32/58/1089173258.db2.gz KBARQIUIKANOAE-GXTWGEPZSA-N 2 2 348.397 2.018 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CC(C)C1 ZINC001437593984 1090091953 /nfs/dbraw/zinc/09/19/53/1090091953.db2.gz JRIHAVBNUSXRRL-UHFFFAOYSA-N 2 2 332.492 2.246 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CC(C)C1 ZINC001437593984 1090091960 /nfs/dbraw/zinc/09/19/60/1090091960.db2.gz JRIHAVBNUSXRRL-UHFFFAOYSA-N 2 2 332.492 2.246 10 0 EEAELP CCc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001437702899 1090248085 /nfs/dbraw/zinc/24/80/85/1090248085.db2.gz UXLJMYMWOGLDPL-SFHVURJKSA-N 2 2 326.444 2.226 10 0 EEAELP CCc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001437702899 1090248091 /nfs/dbraw/zinc/24/80/91/1090248091.db2.gz UXLJMYMWOGLDPL-SFHVURJKSA-N 2 2 326.444 2.226 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001437714101 1090260896 /nfs/dbraw/zinc/26/08/96/1090260896.db2.gz LBGVKRAEIWJPKI-HNNXBMFYSA-N 2 2 348.397 2.108 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001437714101 1090260901 /nfs/dbraw/zinc/26/09/01/1090260901.db2.gz LBGVKRAEIWJPKI-HNNXBMFYSA-N 2 2 348.397 2.108 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2nc3ccccc3o2)C1)[NH+](C)C ZINC001438183402 1090686331 /nfs/dbraw/zinc/68/63/31/1090686331.db2.gz WOTHFWZADMKJDG-IJEWVQPXSA-N 2 2 344.459 2.420 10 0 EEAELP CC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1)[NH+](C)C ZINC001438183402 1090686337 /nfs/dbraw/zinc/68/63/37/1090686337.db2.gz WOTHFWZADMKJDG-IJEWVQPXSA-N 2 2 344.459 2.420 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ccc(F)cc2C)C1 ZINC001438275124 1090760295 /nfs/dbraw/zinc/76/02/95/1090760295.db2.gz YYFODVGYIXOPFI-SFHVURJKSA-N 2 2 344.434 2.454 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccc(F)cc2C)C1 ZINC001438275124 1090760299 /nfs/dbraw/zinc/76/02/99/1090760299.db2.gz YYFODVGYIXOPFI-SFHVURJKSA-N 2 2 344.434 2.454 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCC1CCOCC1 ZINC001438801538 1091407645 /nfs/dbraw/zinc/40/76/45/1091407645.db2.gz GPTXSLVRVJJJAE-BRWVUGGUSA-N 2 2 348.491 2.060 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCC1CCOCC1 ZINC001438801538 1091407649 /nfs/dbraw/zinc/40/76/49/1091407649.db2.gz GPTXSLVRVJJJAE-BRWVUGGUSA-N 2 2 348.491 2.060 10 0 EEAELP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001445754232 1091593228 /nfs/dbraw/zinc/59/32/28/1091593228.db2.gz AEHCYUAGKVJWNX-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001445754232 1091593236 /nfs/dbraw/zinc/59/32/36/1091593236.db2.gz AEHCYUAGKVJWNX-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445831711 1091723014 /nfs/dbraw/zinc/72/30/14/1091723014.db2.gz UVJGJVHNPYMJKT-NUEKZKHPSA-N 2 2 332.492 2.396 10 0 EEAELP C[C@@H](C[N@@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445831711 1091723016 /nfs/dbraw/zinc/72/30/16/1091723016.db2.gz UVJGJVHNPYMJKT-NUEKZKHPSA-N 2 2 332.492 2.396 10 0 EEAELP Cc1nocc1C[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001439220108 1091864742 /nfs/dbraw/zinc/86/47/42/1091864742.db2.gz JWQFTMYMYBVFRB-BBRMVZONSA-N 2 2 333.436 2.061 10 0 EEAELP CC1CCC(C[N@@H+]2CC[C@@H]2CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001446122424 1092164342 /nfs/dbraw/zinc/16/43/42/1092164342.db2.gz QQZUWYKQHBYETI-LEOMRAHMSA-N 2 2 332.492 2.370 10 0 EEAELP CC1CCC(C[N@H+]2CC[C@@H]2CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001446122424 1092164346 /nfs/dbraw/zinc/16/43/46/1092164346.db2.gz QQZUWYKQHBYETI-LEOMRAHMSA-N 2 2 332.492 2.370 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1 ZINC001439482645 1092288143 /nfs/dbraw/zinc/28/81/43/1092288143.db2.gz GUNCOZUOPZYWDL-GOSISDBHSA-N 2 2 344.503 2.417 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001439686244 1092630868 /nfs/dbraw/zinc/63/08/68/1092630868.db2.gz DXRLVLGMZCUEIT-CVEARBPZSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001439686244 1092630869 /nfs/dbraw/zinc/63/08/69/1092630869.db2.gz DXRLVLGMZCUEIT-CVEARBPZSA-N 2 2 348.491 2.315 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@](C)(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)sn1 ZINC001439850714 1092865594 /nfs/dbraw/zinc/86/55/94/1092865594.db2.gz MKRPPNCUKYLMMS-RHSMWYFYSA-N 2 2 347.488 2.380 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@](C)(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)sn1 ZINC001439850714 1092865605 /nfs/dbraw/zinc/86/56/05/1092865605.db2.gz MKRPPNCUKYLMMS-RHSMWYFYSA-N 2 2 347.488 2.380 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2cccc(F)c2)C1 ZINC001440235417 1093320778 /nfs/dbraw/zinc/32/07/78/1093320778.db2.gz AXSVKFDQMISICE-MAUKXSAKSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2cccc(F)c2)C1 ZINC001440235417 1093320786 /nfs/dbraw/zinc/32/07/86/1093320786.db2.gz AXSVKFDQMISICE-MAUKXSAKSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001440235417 1093320790 /nfs/dbraw/zinc/32/07/90/1093320790.db2.gz AXSVKFDQMISICE-MAUKXSAKSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001440235417 1093320795 /nfs/dbraw/zinc/32/07/95/1093320795.db2.gz AXSVKFDQMISICE-MAUKXSAKSA-N 2 2 333.451 2.200 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccc(CF)cc1 ZINC001440239382 1093325381 /nfs/dbraw/zinc/32/53/81/1093325381.db2.gz QXWGZFIBLIONFZ-SFHVURJKSA-N 2 2 344.434 2.394 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccc(CF)cc1 ZINC001440239382 1093325387 /nfs/dbraw/zinc/32/53/87/1093325387.db2.gz QXWGZFIBLIONFZ-SFHVURJKSA-N 2 2 344.434 2.394 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001440420951 1093616091 /nfs/dbraw/zinc/61/60/91/1093616091.db2.gz WKVNHTZJMFWAAT-DOTOQJQBSA-N 2 2 330.476 2.338 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC001440466962 1093690900 /nfs/dbraw/zinc/69/09/00/1093690900.db2.gz VITRQJDGIFPVQX-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1C[C@H]([NH2+]C/C(Cl)=C\Cl)C(C)(C)C1 ZINC001449095177 1094105744 /nfs/dbraw/zinc/10/57/44/1094105744.db2.gz YMMFMTCIUDAXPT-KKNAONHISA-N 2 2 345.274 2.108 10 0 EEAELP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001440939386 1094191400 /nfs/dbraw/zinc/19/14/00/1094191400.db2.gz WKUSGCOHXARZNJ-BLLLJJGKSA-N 2 2 341.883 2.322 10 0 EEAELP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1cc(O)ccc1Cl)[NH+](C)C ZINC001440939386 1094191402 /nfs/dbraw/zinc/19/14/02/1094191402.db2.gz WKUSGCOHXARZNJ-BLLLJJGKSA-N 2 2 341.883 2.322 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)CC1CC2(CCC2)C1 ZINC001440999019 1094270056 /nfs/dbraw/zinc/27/00/56/1094270056.db2.gz YIUDUMBPEIWWGC-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001440999019 1094270057 /nfs/dbraw/zinc/27/00/57/1094270057.db2.gz YIUDUMBPEIWWGC-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP CC[C@@H](C(=O)N(C)C1CC[NH+](Cc2coc(C3CC3)n2)CC1)[NH+](C)C ZINC001441010715 1094287101 /nfs/dbraw/zinc/28/71/01/1094287101.db2.gz XEIYFYBWZJRBPM-KRWDZBQOSA-N 2 2 348.491 2.315 10 0 EEAELP Cc1noc(C)c1C[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441035779 1094331261 /nfs/dbraw/zinc/33/12/61/1094331261.db2.gz XRLYKQNZSXURFB-CZUORRHYSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441035779 1094331264 /nfs/dbraw/zinc/33/12/64/1094331264.db2.gz XRLYKQNZSXURFB-CZUORRHYSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1conc1C[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001441189564 1094548341 /nfs/dbraw/zinc/54/83/41/1094548341.db2.gz VANYRNMXIZWDAK-HOTGVXAUSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1cc(C)cc(C[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001441220381 1094586112 /nfs/dbraw/zinc/58/61/12/1094586112.db2.gz CNMUUCDHZQHTGJ-INIZCTEOSA-N 2 2 326.444 2.137 10 0 EEAELP Cc1ncoc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001441482110 1095153898 /nfs/dbraw/zinc/15/38/98/1095153898.db2.gz HBZKQSMAORTUCO-OWCLPIDISA-N 2 2 345.447 2.204 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@@H]([NH2+]C/C(Cl)=C/Cl)C2)c[nH+]1 ZINC001441482734 1095156002 /nfs/dbraw/zinc/15/60/02/1095156002.db2.gz IFOWUOBZHVEKAI-JZMZOOAYSA-N 2 2 345.274 2.482 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)no1 ZINC001441656168 1095617978 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CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001479735875 1098844941 /nfs/dbraw/zinc/84/49/41/1098844941.db2.gz ITMPFUHWUGINTM-SJORKVTESA-N 2 2 332.492 2.414 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001480271627 1099975773 /nfs/dbraw/zinc/97/57/73/1099975773.db2.gz KERWJYLGLHGAAU-CQSZACIVSA-N 2 2 348.397 2.190 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001480271627 1099975784 /nfs/dbraw/zinc/97/57/84/1099975784.db2.gz KERWJYLGLHGAAU-CQSZACIVSA-N 2 2 348.397 2.190 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1cncc(F)c1 ZINC001444915183 1099995260 /nfs/dbraw/zinc/99/52/60/1099995260.db2.gz NQWQZHYBDGFJJF-SUMWQHHRSA-N 2 2 347.438 2.053 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1cncc(F)c1 ZINC001444915183 1099995270 /nfs/dbraw/zinc/99/52/70/1099995270.db2.gz NQWQZHYBDGFJJF-SUMWQHHRSA-N 2 2 347.438 2.053 10 0 EEAELP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCF)[NH+]1CCCCC1 ZINC001480333230 1100094869 /nfs/dbraw/zinc/09/48/69/1100094869.db2.gz XCRNDOXTKVWVNF-IAGOWNOFSA-N 2 2 327.488 2.437 10 0 EEAELP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CCF)[NH+]1CCCCC1 ZINC001480333230 1100094878 /nfs/dbraw/zinc/09/48/78/1100094878.db2.gz XCRNDOXTKVWVNF-IAGOWNOFSA-N 2 2 327.488 2.437 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CNC(=O)Cc2cn3c([nH+]2)CCCC3)cs1 ZINC001480464054 1100269705 /nfs/dbraw/zinc/26/97/05/1100269705.db2.gz MLFAXJMGIVLEAU-ZDUSSCGKSA-N 2 2 346.500 2.426 10 0 EEAELP C[C@H](C[NH2+]C/C(Cl)=C/Cl)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001445362960 1100599318 /nfs/dbraw/zinc/59/93/18/1100599318.db2.gz MAEAEBGSFSZSBW-HBZGRHIISA-N 2 2 345.274 2.175 10 0 EEAELP Cc1ccncc1C[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001495510293 1101223472 /nfs/dbraw/zinc/22/34/72/1101223472.db2.gz VARRBYJJTCQHFQ-UHFFFAOYSA-N 2 2 349.438 2.193 10 0 EEAELP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)CCc1c[nH+]cn1C ZINC001496827362 1101545617 /nfs/dbraw/zinc/54/56/17/1101545617.db2.gz NJGJKHCMKZZMEM-IBGZPJMESA-N 2 2 340.471 2.430 10 0 EEAELP CN(CC[N@@H+](C)[C@H]1CCc2ccccc21)C(=O)CCc1c[nH+]cn1C ZINC001496827362 1101545627 /nfs/dbraw/zinc/54/56/27/1101545627.db2.gz NJGJKHCMKZZMEM-IBGZPJMESA-N 2 2 340.471 2.430 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496082582 1102028056 /nfs/dbraw/zinc/02/80/56/1102028056.db2.gz PYZNMGVHWFAICL-AWEZNQCLSA-N 2 2 346.479 2.065 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](C)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496082582 1102028074 /nfs/dbraw/zinc/02/80/74/1102028074.db2.gz PYZNMGVHWFAICL-AWEZNQCLSA-N 2 2 346.479 2.065 10 0 EEAELP Cc1ccc(F)c(C[N@@H+](C)CCCN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001447376314 1102558700 /nfs/dbraw/zinc/55/87/00/1102558700.db2.gz RSRMATZSIOVXCQ-UHFFFAOYSA-N 2 2 332.423 2.311 10 0 EEAELP Cc1ccc(F)c(C[N@H+](C)CCCN(C)C(=O)Cn2cc[nH+]c2)c1 ZINC001447376314 1102558704 /nfs/dbraw/zinc/55/87/04/1102558704.db2.gz RSRMATZSIOVXCQ-UHFFFAOYSA-N 2 2 332.423 2.311 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@H](C)[NH2+]Cc2nc(C)c(C)o2)c[nH+]1 ZINC001447649690 1103050079 /nfs/dbraw/zinc/05/00/79/1103050079.db2.gz XOUZITDMRVHROO-LBPRGKRZSA-N 2 2 347.463 2.216 10 0 EEAELP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001497840556 1103175863 /nfs/dbraw/zinc/17/58/63/1103175863.db2.gz KHEOLUVUJHVUDV-NVXWUHKLSA-N 2 2 340.471 2.302 10 0 EEAELP CC(C)c1cnc(C[N@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)o1 ZINC001447766466 1103264939 /nfs/dbraw/zinc/26/49/39/1103264939.db2.gz ACNGBLABQKJIIN-OAHLLOKOSA-N 2 2 336.480 2.173 10 0 EEAELP CC(C)c1cnc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)o1 ZINC001447766466 1103264950 /nfs/dbraw/zinc/26/49/50/1103264950.db2.gz ACNGBLABQKJIIN-OAHLLOKOSA-N 2 2 336.480 2.173 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@@H](CCNC(=O)C[C@H](C)n3cc[nH+]c3)C2)o1 ZINC001494058861 1103445843 /nfs/dbraw/zinc/44/58/43/1103445843.db2.gz ZRNDXMPPBHRPLT-GOEBONIOSA-N 2 2 345.447 2.159 10 0 EEAELP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001494142779 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C[C@H](C[N@H+](C)C[C@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336918 1107324333 /nfs/dbraw/zinc/32/43/33/1107324333.db2.gz FFIWUMBCPXMZJR-HUUCEWRRSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@H]1CC(C)(C)CO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001498336918 1107324348 /nfs/dbraw/zinc/32/43/48/1107324348.db2.gz FFIWUMBCPXMZJR-HUUCEWRRSA-N 2 2 344.459 2.200 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1c(F)cccc1F ZINC001493163738 1107623421 /nfs/dbraw/zinc/62/34/21/1107623421.db2.gz XGEAMIUIJZANHI-AWEZNQCLSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1c(F)cccc1F ZINC001493163738 1107623425 /nfs/dbraw/zinc/62/34/25/1107623425.db2.gz XGEAMIUIJZANHI-AWEZNQCLSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC001493163738 1107623437 /nfs/dbraw/zinc/62/34/37/1107623437.db2.gz XGEAMIUIJZANHI-AWEZNQCLSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC001493163738 1107623442 /nfs/dbraw/zinc/62/34/42/1107623442.db2.gz XGEAMIUIJZANHI-AWEZNQCLSA-N 2 2 339.430 2.386 10 0 EEAELP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001498570753 1107741618 /nfs/dbraw/zinc/74/16/18/1107741618.db2.gz FXIFXZJSHSKWPF-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CC1 ZINC001498780112 1108087109 /nfs/dbraw/zinc/08/71/09/1108087109.db2.gz YDMXMFXXBCPZTD-GOSISDBHSA-N 2 2 339.439 2.317 10 0 EEAELP Cc1ncoc1C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001493430838 1108144651 /nfs/dbraw/zinc/14/46/51/1108144651.db2.gz VLCQCVVLYXXHQT-IRXDYDNUSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[N@@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001493430838 1108144657 /nfs/dbraw/zinc/14/46/57/1108144657.db2.gz VLCQCVVLYXXHQT-IRXDYDNUSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001493430838 1108144663 /nfs/dbraw/zinc/14/46/63/1108144663.db2.gz VLCQCVVLYXXHQT-IRXDYDNUSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ncoc1C[NH+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001493430838 1108144666 /nfs/dbraw/zinc/14/46/66/1108144666.db2.gz VLCQCVVLYXXHQT-IRXDYDNUSA-N 2 2 346.475 2.081 10 0 EEAELP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001499488778 1112318616 /nfs/dbraw/zinc/31/86/16/1112318616.db2.gz XTONVBGRJMSQBP-BTXZYYKMSA-N 2 2 349.519 2.175 10 0 EEAELP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001499488778 1112318621 /nfs/dbraw/zinc/31/86/21/1112318621.db2.gz XTONVBGRJMSQBP-BTXZYYKMSA-N 2 2 349.519 2.175 10 0 EEAELP C[C@@]1(C[NH2+]CCCCC(F)(F)F)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001500405938 1112808154 /nfs/dbraw/zinc/80/81/54/1112808154.db2.gz CUFWWZOZIBPONM-HNNXBMFYSA-N 2 2 346.397 2.444 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccon1)CC(C)(C)C ZINC001501399460 1113342855 /nfs/dbraw/zinc/34/28/55/1113342855.db2.gz HICHKFTXPPRRJM-IRXDYDNUSA-N 2 2 348.491 2.218 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2Cc1ccon1)CC(C)(C)C ZINC001501399460 1113342858 /nfs/dbraw/zinc/34/28/58/1113342858.db2.gz HICHKFTXPPRRJM-IRXDYDNUSA-N 2 2 348.491 2.218 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccon1)CC(C)(C)C ZINC001501399460 1113342861 /nfs/dbraw/zinc/34/28/61/1113342861.db2.gz HICHKFTXPPRRJM-IRXDYDNUSA-N 2 2 348.491 2.218 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccon1)CC(C)(C)C ZINC001501399460 1113342864 /nfs/dbraw/zinc/34/28/64/1113342864.db2.gz HICHKFTXPPRRJM-IRXDYDNUSA-N 2 2 348.491 2.218 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1)[NH+](CC)CC ZINC001501399320 1113342981 /nfs/dbraw/zinc/34/29/81/1113342981.db2.gz FMZAUYPDWJVDDK-KZNAEPCWSA-N 2 2 348.491 2.360 10 0 EEAELP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1)[NH+](CC)CC ZINC001501399320 1113342984 /nfs/dbraw/zinc/34/29/84/1113342984.db2.gz FMZAUYPDWJVDDK-KZNAEPCWSA-N 2 2 348.491 2.360 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001501632751 1113407847 /nfs/dbraw/zinc/40/78/47/1113407847.db2.gz ZBHDQMFJXNKZFR-QGZVFWFLSA-N 2 2 326.444 2.289 10 0 EEAELP CCOCC[NH+]1CCC2(CN(C(=O)c3cc4c[nH+]ccc4[nH]3)C2)CC1 ZINC001501737164 1113455895 /nfs/dbraw/zinc/45/58/95/1113455895.db2.gz LQYPYFVYOUFUII-UHFFFAOYSA-N 2 2 342.443 2.137 10 0 EEAELP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccn1 ZINC001506065202 1114388592 /nfs/dbraw/zinc/38/85/92/1114388592.db2.gz LGNDTEVILYRRPL-LPHOPBHVSA-N 2 2 340.471 2.321 10 0 EEAELP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccn1 ZINC001506065202 1114388597 /nfs/dbraw/zinc/38/85/97/1114388597.db2.gz LGNDTEVILYRRPL-LPHOPBHVSA-N 2 2 340.471 2.321 10 0 EEAELP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cccc(Cl)n1 ZINC001507109330 1115113262 /nfs/dbraw/zinc/11/32/62/1115113262.db2.gz XWSHTWIAIOLDID-ZDUSSCGKSA-N 2 2 349.866 2.038 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1C[C@@H]2CCC[C@H]([NH2+]CCCCCF)[C@@H]2C1 ZINC001507367720 1115226525 /nfs/dbraw/zinc/22/65/25/1115226525.db2.gz ZCKWNLXSUSHCRN-XHSDSOJGSA-N 2 2 336.455 2.309 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]C[C@H]1CCC(F)(F)C1)NC(=O)Cn1cc[nH+]c1 ZINC001508042660 1115398783 /nfs/dbraw/zinc/39/87/83/1115398783.db2.gz FIUUUOYMAWMQCH-KBPBESRZSA-N 2 2 342.434 2.439 10 0 EEAELP C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1)n1cc[nH+]c1 ZINC001508139107 1115426433 /nfs/dbraw/zinc/42/64/33/1115426433.db2.gz MNIMOKUWGXAFJD-IGEOTXOUSA-N 2 2 345.422 2.148 10 0 EEAELP CCOCCC[N@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001508209152 1115445495 /nfs/dbraw/zinc/44/54/95/1115445495.db2.gz QJWMTZJTZVKUFQ-UHFFFAOYSA-N 2 2 342.443 2.351 10 0 EEAELP CCOCCC[N@@H+]1CC=C(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001508209152 1115445496 /nfs/dbraw/zinc/44/54/96/1115445496.db2.gz QJWMTZJTZVKUFQ-UHFFFAOYSA-N 2 2 342.443 2.351 10 0 EEAELP C[C@@H](c1ncccn1)[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001508228007 1115453700 /nfs/dbraw/zinc/45/37/00/1115453700.db2.gz BLSDXQLYDZWJIO-INIZCTEOSA-N 2 2 345.491 2.018 10 0 EEAELP C[C@@H](c1ncccn1)[N@@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001508228007 1115453702 /nfs/dbraw/zinc/45/37/02/1115453702.db2.gz BLSDXQLYDZWJIO-INIZCTEOSA-N 2 2 345.491 2.018 10 0 EEAELP C[C@H](F)CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001568121571 1124314898 /nfs/dbraw/zinc/31/48/98/1124314898.db2.gz FNKINTCICMRQPO-AWEZNQCLSA-N 2 2 332.423 2.117 10 0 EEAELP COCCCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001568358936 1124436145 /nfs/dbraw/zinc/43/61/45/1124436145.db2.gz GYEFJINRRXYSRW-GDBMZVCRSA-N 2 2 344.459 2.430 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001568539993 1124600741 /nfs/dbraw/zinc/60/07/41/1124600741.db2.gz JIWKNBHZFIHYHK-GXTWGEPZSA-N 2 2 346.397 2.180 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001568539994 1124600757 /nfs/dbraw/zinc/60/07/57/1124600757.db2.gz JIWKNBHZFIHYHK-JSGCOSHPSA-N 2 2 346.397 2.180 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)c1sccc1C[NH+](C)C ZINC001568857997 1124882451 /nfs/dbraw/zinc/88/24/51/1124882451.db2.gz GFMMMLIOTSVXJJ-SNAWJCMRSA-N 2 2 348.472 2.182 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1 ZINC001568860487 1124884891 /nfs/dbraw/zinc/88/48/91/1124884891.db2.gz PFKJOAHICMOTRK-OWOJBTEDSA-N 2 2 332.835 2.458 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1 ZINC001568860487 1124884899 /nfs/dbraw/zinc/88/48/99/1124884899.db2.gz PFKJOAHICMOTRK-OWOJBTEDSA-N 2 2 332.835 2.458 10 0 EEAELP C[C@@H]([NH2+]C/C=C/CNC(=O)Cc1c[nH+]cn1C)c1cccc(F)c1 ZINC001568949591 1124983345 /nfs/dbraw/zinc/98/33/45/1124983345.db2.gz FIBTXKUKKASRKG-RDFMZFSFSA-N 2 2 330.407 2.125 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000183563044 529760622 /nfs/dbraw/zinc/76/06/22/529760622.db2.gz ASFSAVCGRZADNH-CQSZACIVSA-N 2 2 327.432 2.384 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000178309114 232131402 /nfs/dbraw/zinc/13/14/02/232131402.db2.gz YHDMXILHMOUYAP-SJORKVTESA-N 2 2 333.407 2.235 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(F)cc1 ZINC000178309114 232131406 /nfs/dbraw/zinc/13/14/06/232131406.db2.gz YHDMXILHMOUYAP-SJORKVTESA-N 2 2 333.407 2.235 10 0 EEAELP COc1c(C)c[nH+]c(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1C ZINC000067227173 215124952 /nfs/dbraw/zinc/12/49/52/215124952.db2.gz TUZKYNNOIKKSIP-HNNXBMFYSA-N 2 2 333.476 2.392 10 0 EEAELP COc1c(C)c[nH+]c(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1C ZINC000067227173 215124954 /nfs/dbraw/zinc/12/49/54/215124954.db2.gz TUZKYNNOIKKSIP-HNNXBMFYSA-N 2 2 333.476 2.392 10 0 EEAELP COc1ccc(CC(=O)N2C[C@H](C)[NH+](CCC[NH+](C)C)[C@@H](C)C2)cc1 ZINC000036125010 213070970 /nfs/dbraw/zinc/07/09/70/213070970.db2.gz IQKIDDRYHRQOGU-IRXDYDNUSA-N 2 2 347.503 2.111 10 0 EEAELP O=C(c1ccnc(-n2cc[nH+]c2)c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107666717 219795085 /nfs/dbraw/zinc/79/50/85/219795085.db2.gz WRHGESWAXYSXNF-QGZVFWFLSA-N 2 2 339.443 2.358 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[NH+]2CCC3(CC[NH2+]3)CC2)c(C)c1 ZINC000422642643 240170468 /nfs/dbraw/zinc/17/04/68/240170468.db2.gz ZWBTYPRRPRVTCO-UHFFFAOYSA-N 2 2 329.488 2.098 10 0 EEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccccc1Br ZINC000422835329 240249959 /nfs/dbraw/zinc/24/99/59/240249959.db2.gz YNHMDPLQVPNRDE-JSGCOSHPSA-N 2 2 327.266 2.348 10 0 EEAELP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422788286 240225747 /nfs/dbraw/zinc/22/57/47/240225747.db2.gz QZIZCZJDNJUKDX-WOJBJXKFSA-N 3 2 331.504 2.385 10 0 EEAELP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCc1ccccc1Br ZINC000422835328 240250439 /nfs/dbraw/zinc/25/04/39/240250439.db2.gz YNHMDPLQVPNRDE-GXTWGEPZSA-N 2 2 327.266 2.348 10 0 EEAELP FC(F)(F)c1ccccc1OCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422954858 240307206 /nfs/dbraw/zinc/30/72/06/240307206.db2.gz IGLBLKPQHSJBJS-HOTGVXAUSA-N 2 2 344.377 2.441 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CN1Cc1ccccc1 ZINC000422875583 240271220 /nfs/dbraw/zinc/27/12/20/240271220.db2.gz PGTQAWZYERIWML-XWPNQZOQSA-N 2 2 329.488 2.006 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCc2nccnc2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423129572 240377775 /nfs/dbraw/zinc/37/77/75/240377775.db2.gz FJXWRDYPZVPCII-RTBURBONSA-N 2 2 326.444 2.419 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000426641109 241320460 /nfs/dbraw/zinc/32/04/60/241320460.db2.gz YEJRSMBUYLFFAT-HTWSVDAQSA-N 2 2 336.524 2.233 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000426641109 241320466 /nfs/dbraw/zinc/32/04/66/241320466.db2.gz YEJRSMBUYLFFAT-HTWSVDAQSA-N 2 2 336.524 2.233 10 0 EEAELP C[C@H](C(=O)N1CCCC[C@H]1C[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000246195322 243209286 /nfs/dbraw/zinc/20/92/86/243209286.db2.gz DOHHMIKUVMRTGT-YTQUADARSA-N 2 2 345.487 2.036 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(C)C)[C@@H](C)C1 ZINC000246539186 243269430 /nfs/dbraw/zinc/26/94/30/243269430.db2.gz WGQFUIJJBRSKAH-HOTGVXAUSA-N 2 2 335.496 2.411 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2[nH+]ccn2CC(C)C)[C@@H](C)C1 ZINC000246539186 243269439 /nfs/dbraw/zinc/26/94/39/243269439.db2.gz WGQFUIJJBRSKAH-HOTGVXAUSA-N 2 2 335.496 2.411 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000429819715 285395417 /nfs/dbraw/zinc/39/54/17/285395417.db2.gz VHROZOCNTJNFAP-ZNMIVQPWSA-N 2 2 349.441 2.449 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000429819715 285395418 /nfs/dbraw/zinc/39/54/18/285395418.db2.gz VHROZOCNTJNFAP-ZNMIVQPWSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000429819715 285395419 /nfs/dbraw/zinc/39/54/19/285395419.db2.gz VHROZOCNTJNFAP-ZNMIVQPWSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000429819715 285395420 /nfs/dbraw/zinc/39/54/20/285395420.db2.gz VHROZOCNTJNFAP-ZNMIVQPWSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000263058946 152366051 /nfs/dbraw/zinc/36/60/51/152366051.db2.gz VFENXBWNPVMBFJ-LSDHHAIUSA-N 2 2 325.403 2.183 10 0 EEAELP CC(=O)Nc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374214657 154007165 /nfs/dbraw/zinc/00/71/65/154007165.db2.gz YYBFDMMFPYDDEJ-UHFFFAOYSA-N 2 2 341.415 2.186 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252696075 160393640 /nfs/dbraw/zinc/39/36/40/160393640.db2.gz LSXSCRSJGIDIFB-RBUKOAKNSA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252696075 160393641 /nfs/dbraw/zinc/39/36/41/160393641.db2.gz LSXSCRSJGIDIFB-RBUKOAKNSA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252696075 160393642 /nfs/dbraw/zinc/39/36/42/160393642.db2.gz LSXSCRSJGIDIFB-RBUKOAKNSA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252696075 160393643 /nfs/dbraw/zinc/39/36/43/160393643.db2.gz LSXSCRSJGIDIFB-RBUKOAKNSA-N 2 2 329.488 2.370 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093148292 159230428 /nfs/dbraw/zinc/23/04/28/159230428.db2.gz QHSOYRSVGXGAEC-GOSISDBHSA-N 2 2 333.524 2.240 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093148292 159230430 /nfs/dbraw/zinc/23/04/30/159230430.db2.gz QHSOYRSVGXGAEC-GOSISDBHSA-N 2 2 333.524 2.240 10 0 EEAELP COc1c(C)cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000093821054 159240383 /nfs/dbraw/zinc/24/03/83/159240383.db2.gz ZRGZRCUNSZTXME-SFHVURJKSA-N 2 2 345.487 2.050 10 0 EEAELP COc1c(C)cc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1C ZINC000093821054 159240384 /nfs/dbraw/zinc/24/03/84/159240384.db2.gz ZRGZRCUNSZTXME-SFHVURJKSA-N 2 2 345.487 2.050 10 0 EEAELP COc1ccccc1OCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109751872 159352823 /nfs/dbraw/zinc/35/28/23/159352823.db2.gz ZTFWFKLOJFZYQV-GOSISDBHSA-N 2 2 347.503 2.176 10 0 EEAELP COc1ccccc1OCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109751872 159352824 /nfs/dbraw/zinc/35/28/24/159352824.db2.gz ZTFWFKLOJFZYQV-GOSISDBHSA-N 2 2 347.503 2.176 10 0 EEAELP CC(C)C[C@@H](NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193602847 160183611 /nfs/dbraw/zinc/18/36/11/160183611.db2.gz HJDKSLUHRQMHFR-CEXWTWQISA-N 2 2 329.488 2.383 10 0 EEAELP CC(C)C[C@@H](NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1ccccc1 ZINC000193602847 160183613 /nfs/dbraw/zinc/18/36/13/160183613.db2.gz HJDKSLUHRQMHFR-CEXWTWQISA-N 2 2 329.488 2.383 10 0 EEAELP CC(C)C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193602847 160183615 /nfs/dbraw/zinc/18/36/15/160183615.db2.gz HJDKSLUHRQMHFR-CEXWTWQISA-N 2 2 329.488 2.383 10 0 EEAELP CC(C)C[C@@H](NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1ccccc1 ZINC000193602847 160183616 /nfs/dbraw/zinc/18/36/16/160183616.db2.gz HJDKSLUHRQMHFR-CEXWTWQISA-N 2 2 329.488 2.383 10 0 EEAELP COCC[NH+]1CCC(Nc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000195304334 160209962 /nfs/dbraw/zinc/20/99/62/160209962.db2.gz HUEWLTLRVWXADS-UHFFFAOYSA-N 2 2 327.432 2.370 10 0 EEAELP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246449487 160279599 /nfs/dbraw/zinc/27/95/99/160279599.db2.gz OPRMXLCJJUDMIZ-IRXDYDNUSA-N 2 2 333.480 2.035 10 0 EEAELP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)C1 ZINC000246449487 160279601 /nfs/dbraw/zinc/27/96/01/160279601.db2.gz OPRMXLCJJUDMIZ-IRXDYDNUSA-N 2 2 333.480 2.035 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c[nH+]1 ZINC000247335450 160320641 /nfs/dbraw/zinc/32/06/41/160320641.db2.gz NEXLWQUUSWHURM-WBVHZDCISA-N 2 2 347.507 2.456 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c[nH+]1 ZINC000247335450 160320643 /nfs/dbraw/zinc/32/06/43/160320643.db2.gz NEXLWQUUSWHURM-WBVHZDCISA-N 2 2 347.507 2.456 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)CC2 ZINC000367823794 166007735 /nfs/dbraw/zinc/00/77/35/166007735.db2.gz WAKXMTXWFYTKEC-HNNXBMFYSA-N 2 2 343.431 2.147 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364957108 165332798 /nfs/dbraw/zinc/33/27/98/165332798.db2.gz XXNUCHKXGNIXRF-DOTOQJQBSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC000364957108 165332803 /nfs/dbraw/zinc/33/28/03/165332803.db2.gz XXNUCHKXGNIXRF-DOTOQJQBSA-N 2 2 326.444 2.082 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)c2cc1C ZINC000123625842 222307354 /nfs/dbraw/zinc/30/73/54/222307354.db2.gz MYSBEYQKFVBDEX-KZNAEPCWSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1C ZINC000123625842 222307357 /nfs/dbraw/zinc/30/73/57/222307357.db2.gz MYSBEYQKFVBDEX-KZNAEPCWSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c2cc1C ZINC000123625842 222307358 /nfs/dbraw/zinc/30/73/58/222307358.db2.gz MYSBEYQKFVBDEX-KZNAEPCWSA-N 3 2 344.503 2.429 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)c2cc1C ZINC000123625842 222307361 /nfs/dbraw/zinc/30/73/61/222307361.db2.gz MYSBEYQKFVBDEX-KZNAEPCWSA-N 3 2 344.503 2.429 10 0 EEAELP C[NH+]1CCC(CC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)CC1 ZINC000291560067 275317526 /nfs/dbraw/zinc/31/75/26/275317526.db2.gz XVJDJWKALMDIAE-UHFFFAOYSA-N 2 2 330.476 2.420 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292139880 275383102 /nfs/dbraw/zinc/38/31/02/275383102.db2.gz MGPLNGACUUQYET-OXQOHEQNSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292139880 275383103 /nfs/dbraw/zinc/38/31/03/275383103.db2.gz MGPLNGACUUQYET-OXQOHEQNSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292139880 275383104 /nfs/dbraw/zinc/38/31/04/275383104.db2.gz MGPLNGACUUQYET-OXQOHEQNSA-N 2 2 327.472 2.382 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292139880 275383105 /nfs/dbraw/zinc/38/31/05/275383105.db2.gz MGPLNGACUUQYET-OXQOHEQNSA-N 2 2 327.472 2.382 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)[C@@H](C)C1 ZINC000246392609 279396775 /nfs/dbraw/zinc/39/67/75/279396775.db2.gz JGYVJCLJXQAZJM-GOEBONIOSA-N 2 2 333.480 2.019 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc[nH+]c2N(C)C)[C@@H](C)C1 ZINC000246392609 279396778 /nfs/dbraw/zinc/39/67/78/279396778.db2.gz JGYVJCLJXQAZJM-GOEBONIOSA-N 2 2 333.480 2.019 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)C1 ZINC000293054809 293113019 /nfs/dbraw/zinc/11/30/19/293113019.db2.gz UGZOFETUYCGNII-CQSZACIVSA-N 2 2 342.867 2.210 10 0 EEAELP COCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(OC)c2Cl)C1 ZINC000293054809 293113023 /nfs/dbraw/zinc/11/30/23/293113023.db2.gz UGZOFETUYCGNII-CQSZACIVSA-N 2 2 342.867 2.210 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000296580226 294012903 /nfs/dbraw/zinc/01/29/03/294012903.db2.gz MNHXWCADVDFVKQ-CYBMUJFWSA-N 2 2 347.488 2.211 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000296580226 294012905 /nfs/dbraw/zinc/01/29/05/294012905.db2.gz MNHXWCADVDFVKQ-CYBMUJFWSA-N 2 2 347.488 2.211 10 0 EEAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCCO2 ZINC000453269103 295274596 /nfs/dbraw/zinc/27/45/96/295274596.db2.gz RAOWZEVQNNBAKG-MAUKXSAKSA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCCO2 ZINC000453269103 295274599 /nfs/dbraw/zinc/27/45/99/295274599.db2.gz RAOWZEVQNNBAKG-MAUKXSAKSA-N 2 2 334.460 2.345 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc[nH+]1 ZINC000333887863 312210324 /nfs/dbraw/zinc/21/03/24/312210324.db2.gz GHAHFWQDOJOVOY-JEWRLFTDSA-N 2 2 345.491 2.280 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH+]cn1 ZINC000333887863 312210325 /nfs/dbraw/zinc/21/03/25/312210325.db2.gz GHAHFWQDOJOVOY-JEWRLFTDSA-N 2 2 345.491 2.280 10 0 EEAELP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(Br)c1O ZINC000414935968 313111776 /nfs/dbraw/zinc/11/17/76/313111776.db2.gz BDHIZTZEETUKNF-MWLCHTKSSA-N 2 2 329.238 2.251 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)NC[C@H]([NH3+])c2ccccc2)c[nH+]1 ZINC000416988664 313384792 /nfs/dbraw/zinc/38/47/92/313384792.db2.gz NSSRWZHSQYLVFW-KRWDZBQOSA-N 2 2 341.459 2.427 10 0 EEAELP Cc1ccc(C[N@H+](CCO)Cc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000420956781 314008660 /nfs/dbraw/zinc/00/86/60/314008660.db2.gz BTRLGCPUSJBGRF-UHFFFAOYSA-N 2 2 344.455 2.415 10 0 EEAELP Cc1ccc(C[N@@H+](CCO)Cc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC000420956781 314008664 /nfs/dbraw/zinc/00/86/64/314008664.db2.gz BTRLGCPUSJBGRF-UHFFFAOYSA-N 2 2 344.455 2.415 10 0 EEAELP Cc1c(Cl)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nn1C ZINC000421318964 314084704 /nfs/dbraw/zinc/08/47/04/314084704.db2.gz JFFJBRRVKVMQJI-UHFFFAOYSA-N 2 2 340.899 2.316 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c2[nH+]ccn21 ZINC000514918917 316438294 /nfs/dbraw/zinc/43/82/94/316438294.db2.gz KXVWNDBPHHYTMC-GDBMZVCRSA-N 2 2 331.464 2.406 10 0 EEAELP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(CO)ccc3F)CC2)CC1 ZINC000528425557 317383571 /nfs/dbraw/zinc/38/35/71/317383571.db2.gz NMOAPXITVOESGN-UHFFFAOYSA-N 2 2 349.494 2.308 10 0 EEAELP Cc1ccc2[nH+]ccc(N[C@@H]3CCCN(Cc4[nH+]ccn4C)C3=O)c2c1 ZINC000545473668 318221952 /nfs/dbraw/zinc/22/19/52/318221952.db2.gz ZMIVEDOHGVXAGY-GOSISDBHSA-N 2 2 349.438 2.302 10 0 EEAELP COc1cncc(/C=C\CC[NH+]2CCN(c3[nH+]ccn3C)CC2)c1 ZINC000572399190 319843266 /nfs/dbraw/zinc/84/32/66/319843266.db2.gz VZXXVXJQZWVGSE-HYXAFXHYSA-N 2 2 327.432 2.049 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](CCc3ncc(C)cc3C)CC2)c1 ZINC000574449018 320025738 /nfs/dbraw/zinc/02/57/38/320025738.db2.gz MZHSPHBYXGIEOQ-UHFFFAOYSA-N 2 2 326.444 2.467 10 0 EEAELP c1ccc2c(c1)CN(c1cc[nH+]c(NCCC[NH+]3CCOCC3)n1)C2 ZINC000623789380 450584937 /nfs/dbraw/zinc/58/49/37/450584937.db2.gz TXUZAHKQJQOVEO-UHFFFAOYSA-N 2 2 339.443 2.131 10 0 EEAELP CCC1([NH+](C)C)CCN(c2nc(NCCO)c3ccccc3[nH+]2)CC1 ZINC000631475207 450614352 /nfs/dbraw/zinc/61/43/52/450614352.db2.gz IFSHSGQJFHFSJU-UHFFFAOYSA-N 2 2 343.475 2.345 10 0 EEAELP Cc1cc(NCCNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627069747 451110417 /nfs/dbraw/zinc/11/04/17/451110417.db2.gz RXPONQZLDYYBFR-HUUCEWRRSA-N 2 2 348.495 2.008 10 0 EEAELP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cccc2[nH+]ccn21 ZINC000328618175 465073954 /nfs/dbraw/zinc/07/39/54/465073954.db2.gz DMLCOLVDCARJEG-LPHOPBHVSA-N 2 2 349.438 2.494 10 0 EEAELP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)c1cccc2[nH+]ccn21 ZINC000328618175 465073961 /nfs/dbraw/zinc/07/39/61/465073961.db2.gz DMLCOLVDCARJEG-LPHOPBHVSA-N 2 2 349.438 2.494 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)CCc3c[nH+]cn3C)CC2)s1 ZINC000339167931 465121175 /nfs/dbraw/zinc/12/11/75/465121175.db2.gz ZXGWTRNYBHHSTR-UHFFFAOYSA-N 2 2 346.500 2.321 10 0 EEAELP C[C@@H]1CCC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000337002341 465142585 /nfs/dbraw/zinc/14/25/85/465142585.db2.gz VSIYIJSELUBPEW-FNNOIMFVSA-N 2 2 334.508 2.127 10 0 EEAELP C[C@@H]1CCC[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000337002341 465142591 /nfs/dbraw/zinc/14/25/91/465142591.db2.gz VSIYIJSELUBPEW-FNNOIMFVSA-N 2 2 334.508 2.127 10 0 EEAELP COc1cc(C)nc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000347726177 465190965 /nfs/dbraw/zinc/19/09/65/465190965.db2.gz SDQVDTXDRPBDSW-HXUWFJFHSA-N 2 2 341.455 2.125 10 0 EEAELP COc1cc(C)nc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000347726177 465190970 /nfs/dbraw/zinc/19/09/70/465190970.db2.gz SDQVDTXDRPBDSW-HXUWFJFHSA-N 2 2 341.455 2.125 10 0 EEAELP C[NH+](C)CC1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CCCCC1 ZINC000358562668 465194436 /nfs/dbraw/zinc/19/44/36/465194436.db2.gz ZHKLDFUCXRKUNQ-INIZCTEOSA-N 2 2 330.476 2.289 10 0 EEAELP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000355752940 465270371 /nfs/dbraw/zinc/27/03/71/465270371.db2.gz XTYBCRXKRPOYDE-IKGGRYGDSA-N 2 2 333.476 2.290 10 0 EEAELP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)N2CC[NH+](Cc3ccco3)CC2)C1 ZINC000355752940 465270377 /nfs/dbraw/zinc/27/03/77/465270377.db2.gz XTYBCRXKRPOYDE-IKGGRYGDSA-N 2 2 333.476 2.290 10 0 EEAELP c1[nH+]c([C@H]2CCC[N@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C2)n2c1CCCC2 ZINC000337447249 465375395 /nfs/dbraw/zinc/37/53/95/465375395.db2.gz QSTYJNJNTXTAHX-YTQUADARSA-N 2 2 344.503 2.262 10 0 EEAELP C[NH+](C[C@@H](O)C[N@@H+](C)Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000590622568 468289288 /nfs/dbraw/zinc/28/92/88/468289288.db2.gz WKQLIGLWQYIMCD-VQTJNVASSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](C[C@@H](O)C[N@H+](C)Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000590622568 468289294 /nfs/dbraw/zinc/28/92/94/468289294.db2.gz WKQLIGLWQYIMCD-VQTJNVASSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000590622568 468289298 /nfs/dbraw/zinc/28/92/98/468289298.db2.gz WKQLIGLWQYIMCD-VQTJNVASSA-N 2 2 328.456 2.145 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000590622568 468289303 /nfs/dbraw/zinc/28/93/03/468289303.db2.gz WKQLIGLWQYIMCD-VQTJNVASSA-N 2 2 328.456 2.145 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCn2cc[nH+]c2)cc1 ZINC000152922327 462595981 /nfs/dbraw/zinc/59/59/81/462595981.db2.gz ZNJOVNDDZMAHEA-AWEZNQCLSA-N 2 2 338.415 2.438 10 0 EEAELP COc1cccc(CCC[NH+]2CCN(Cc3[nH+]ccn3C)CC2)c1 ZINC000119312974 462887967 /nfs/dbraw/zinc/88/79/67/462887967.db2.gz GHTRAHRRMMQLRQ-UHFFFAOYSA-N 2 2 328.460 2.179 10 0 EEAELP Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc[nH+]c(N(C)C)n2)cc1 ZINC000077187901 462949931 /nfs/dbraw/zinc/94/99/31/462949931.db2.gz ZXOXDBKCDNKJSW-QGZVFWFLSA-N 2 2 341.459 2.336 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1nnc(C(C)C)s1 ZINC000137895790 463301786 /nfs/dbraw/zinc/30/17/86/463301786.db2.gz SEHHPIIEWWEPFB-ZDUSSCGKSA-N 2 2 348.476 2.270 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nnc(C(C)C)s1 ZINC000137895790 463301792 /nfs/dbraw/zinc/30/17/92/463301792.db2.gz SEHHPIIEWWEPFB-ZDUSSCGKSA-N 2 2 348.476 2.270 10 0 EEAELP Cc1ccn2cc(CNC(=O)N(C)[C@@H]3CC[N@@H+](C4CC4)C3)[nH+]c2c1 ZINC000522078446 468353736 /nfs/dbraw/zinc/35/37/36/468353736.db2.gz CBQKPURVMOZAJP-MRXNPFEDSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccn2cc(CNC(=O)N(C)[C@@H]3CC[N@H+](C4CC4)C3)[nH+]c2c1 ZINC000522078446 468353739 /nfs/dbraw/zinc/35/37/39/468353739.db2.gz CBQKPURVMOZAJP-MRXNPFEDSA-N 2 2 327.432 2.021 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123758208 463366624 /nfs/dbraw/zinc/36/66/24/463366624.db2.gz TZJMNHJPSWIHQX-HNNXBMFYSA-N 2 2 342.443 2.322 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123758208 463366629 /nfs/dbraw/zinc/36/66/29/463366629.db2.gz TZJMNHJPSWIHQX-HNNXBMFYSA-N 2 2 342.443 2.322 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCCC1)C2 ZINC000072255126 463488215 /nfs/dbraw/zinc/48/82/15/463488215.db2.gz OHYOTHRSQXJLNA-HKUYNNGSSA-N 2 2 338.455 2.460 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000057617724 463503286 /nfs/dbraw/zinc/50/32/86/463503286.db2.gz TZODRODKDRVNTH-OAHLLOKOSA-N 2 2 334.464 2.333 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)N(C)Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000057617724 463503289 /nfs/dbraw/zinc/50/32/89/463503289.db2.gz TZODRODKDRVNTH-OAHLLOKOSA-N 2 2 334.464 2.333 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163412127 463586556 /nfs/dbraw/zinc/58/65/56/463586556.db2.gz GMIWTMMJKGGAPM-WMLDXEAASA-N 2 2 349.475 2.415 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000163412127 463586557 /nfs/dbraw/zinc/58/65/57/463586557.db2.gz GMIWTMMJKGGAPM-WMLDXEAASA-N 2 2 349.475 2.415 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000109754282 463648252 /nfs/dbraw/zinc/64/82/52/463648252.db2.gz SHJWHPPRYLAFAD-SFHVURJKSA-N 2 2 345.487 2.060 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000109754282 463648256 /nfs/dbraw/zinc/64/82/56/463648256.db2.gz SHJWHPPRYLAFAD-SFHVURJKSA-N 2 2 345.487 2.060 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000257365260 463788696 /nfs/dbraw/zinc/78/86/96/463788696.db2.gz RXDQCCKJMNCKLJ-WMZOPIPTSA-N 2 2 326.444 2.316 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000257365260 463788700 /nfs/dbraw/zinc/78/87/00/463788700.db2.gz RXDQCCKJMNCKLJ-WMZOPIPTSA-N 2 2 326.444 2.316 10 0 EEAELP Cc1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1C ZINC000172850216 464154234 /nfs/dbraw/zinc/15/42/34/464154234.db2.gz BFOCJKRPENVFGQ-UHFFFAOYSA-N 2 2 332.492 2.014 10 0 EEAELP CC(C)c1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[nH]n1 ZINC000172850153 464154266 /nfs/dbraw/zinc/15/42/66/464154266.db2.gz LDZPUZQFRDKCPA-UHFFFAOYSA-N 2 2 347.507 2.213 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292274597 464182218 /nfs/dbraw/zinc/18/22/18/464182218.db2.gz ZZQCZEPWHMKPNT-JXXFODFXSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292274597 464182223 /nfs/dbraw/zinc/18/22/23/464182223.db2.gz ZZQCZEPWHMKPNT-JXXFODFXSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292274597 464182229 /nfs/dbraw/zinc/18/22/29/464182229.db2.gz ZZQCZEPWHMKPNT-JXXFODFXSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292274597 464182235 /nfs/dbraw/zinc/18/22/35/464182235.db2.gz ZZQCZEPWHMKPNT-JXXFODFXSA-N 2 2 327.472 2.380 10 0 EEAELP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000229336721 464195519 /nfs/dbraw/zinc/19/55/19/464195519.db2.gz FRIHYRDDBKBJAX-RHSMWYFYSA-N 2 2 337.427 2.202 10 0 EEAELP C[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000229336721 464195523 /nfs/dbraw/zinc/19/55/23/464195523.db2.gz FRIHYRDDBKBJAX-RHSMWYFYSA-N 2 2 337.427 2.202 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@@H+]1C ZINC000173953313 464339168 /nfs/dbraw/zinc/33/91/68/464339168.db2.gz YXAXOCXMWNVHNB-WBVHZDCISA-N 2 2 345.491 2.175 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[N@H+]1C ZINC000173953313 464339171 /nfs/dbraw/zinc/33/91/71/464339171.db2.gz YXAXOCXMWNVHNB-WBVHZDCISA-N 2 2 345.491 2.175 10 0 EEAELP C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)[C@H]1C ZINC000174949063 464472190 /nfs/dbraw/zinc/47/21/90/464472190.db2.gz RLIQCXUMFPABNC-IRXDYDNUSA-N 2 2 336.524 2.377 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000272187443 464510266 /nfs/dbraw/zinc/51/02/66/464510266.db2.gz AXSHHQOFRWMCEX-KRWDZBQOSA-N 2 2 339.443 2.358 10 0 EEAELP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000265510110 464586218 /nfs/dbraw/zinc/58/62/18/464586218.db2.gz RADUNCRXRGUULC-AWEZNQCLSA-N 2 2 342.443 2.303 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)CS(C)(=O)=O ZINC000246630310 464606472 /nfs/dbraw/zinc/60/64/72/464606472.db2.gz SVSYTBHDXQYSIZ-IRXDYDNUSA-N 2 2 330.538 2.111 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)CS(C)(=O)=O ZINC000246630310 464606476 /nfs/dbraw/zinc/60/64/76/464606476.db2.gz SVSYTBHDXQYSIZ-IRXDYDNUSA-N 2 2 330.538 2.111 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000281934393 464640448 /nfs/dbraw/zinc/64/04/48/464640448.db2.gz IHSQYFBEZXDQRW-AWEZNQCLSA-N 2 2 340.431 2.458 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000281934393 464640453 /nfs/dbraw/zinc/64/04/53/464640453.db2.gz IHSQYFBEZXDQRW-AWEZNQCLSA-N 2 2 340.431 2.458 10 0 EEAELP c1cnc(N2CC[NH+](CCC[NH2+][C@@H]3CC[C@H]3C3CCC3)CC2)nc1 ZINC000337987646 465732251 /nfs/dbraw/zinc/73/22/51/465732251.db2.gz SMMAMGRGUSBYGP-ZWKOTPCHSA-N 2 2 329.492 2.157 10 0 EEAELP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)c1 ZINC000371376706 465754125 /nfs/dbraw/zinc/75/41/25/465754125.db2.gz ZJABTORJKZUOCB-HNNXBMFYSA-N 2 2 341.459 2.354 10 0 EEAELP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3ccc(C(=O)N(C)C)[nH]3)C2)c1 ZINC000371376706 465754134 /nfs/dbraw/zinc/75/41/34/465754134.db2.gz ZJABTORJKZUOCB-HNNXBMFYSA-N 2 2 341.459 2.354 10 0 EEAELP COC(=O)c1oc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1C ZINC000361521166 466068337 /nfs/dbraw/zinc/06/83/37/466068337.db2.gz ZFXLKPCONPXMLJ-UHFFFAOYSA-N 2 2 345.399 2.100 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000361529590 466076985 /nfs/dbraw/zinc/07/69/85/466076985.db2.gz FPOXTSUDKPHDDH-MRXNPFEDSA-N 2 2 348.491 2.105 10 0 EEAELP CCc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc(C)[nH+]1 ZINC000302104695 466098349 /nfs/dbraw/zinc/09/83/49/466098349.db2.gz RJPNYGSIRNNSCB-JWTNVVGKSA-N 2 2 329.492 2.095 10 0 EEAELP CCc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc(C)[nH+]1 ZINC000302104695 466098354 /nfs/dbraw/zinc/09/83/54/466098354.db2.gz RJPNYGSIRNNSCB-JWTNVVGKSA-N 2 2 329.492 2.095 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000555515310 468479920 /nfs/dbraw/zinc/47/99/20/468479920.db2.gz YEZCCJDCKKOKKK-INIZCTEOSA-N 2 2 328.416 2.377 10 0 EEAELP CCOC(=O)c1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)[nH]c1C ZINC000597248073 468495220 /nfs/dbraw/zinc/49/52/20/468495220.db2.gz LEWGDHDXERQNJV-MRXNPFEDSA-N 2 2 337.464 2.042 10 0 EEAELP CCOC(=O)c1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)[nH]c1C ZINC000597248073 468495225 /nfs/dbraw/zinc/49/52/25/468495225.db2.gz LEWGDHDXERQNJV-MRXNPFEDSA-N 2 2 337.464 2.042 10 0 EEAELP CN(C(=O)NCC1CCCCC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363816807 466628220 /nfs/dbraw/zinc/62/82/20/466628220.db2.gz JIGGZMZDRYCPFB-GOSISDBHSA-N 2 2 336.524 2.377 10 0 EEAELP CN(C(=O)NCC1CCCCC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363816807 466628223 /nfs/dbraw/zinc/62/82/23/466628223.db2.gz JIGGZMZDRYCPFB-GOSISDBHSA-N 2 2 336.524 2.377 10 0 EEAELP FC(F)(F)CN1CCC(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422817965 466683336 /nfs/dbraw/zinc/68/33/36/466683336.db2.gz IXLZETOYKIABJT-HOTGVXAUSA-N 2 2 349.441 2.007 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423358689 466727031 /nfs/dbraw/zinc/72/70/31/466727031.db2.gz JSDKSEJPGLBRQH-DVOMOZLQSA-N 2 2 325.478 2.097 10 0 EEAELP CN(C(=O)CSC(C)(C)C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370839056 467021900 /nfs/dbraw/zinc/02/19/00/467021900.db2.gz HAODMIOOVROZOO-OAHLLOKOSA-N 2 2 327.538 2.145 10 0 EEAELP CN(C(=O)CSC(C)(C)C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370839056 467021905 /nfs/dbraw/zinc/02/19/05/467021905.db2.gz HAODMIOOVROZOO-OAHLLOKOSA-N 2 2 327.538 2.145 10 0 EEAELP CNc1ccccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000412208760 467038539 /nfs/dbraw/zinc/03/85/39/467038539.db2.gz BHVODUDZFKWYLU-SJPCQFCGSA-N 2 2 342.487 2.111 10 0 EEAELP CNc1ccccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000412208760 467038542 /nfs/dbraw/zinc/03/85/42/467038542.db2.gz BHVODUDZFKWYLU-SJPCQFCGSA-N 2 2 342.487 2.111 10 0 EEAELP C[NH+](C)C[C@](C)(O)CNc1[nH+]ccc2cc(Br)ccc21 ZINC000413193441 467187325 /nfs/dbraw/zinc/18/73/25/467187325.db2.gz AEHYNXVFZXXKAA-OAHLLOKOSA-N 2 2 338.249 2.722 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428541749 467244259 /nfs/dbraw/zinc/24/42/59/467244259.db2.gz CMHVLHNDYSWBAF-XNRPHZJLSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428541749 467244262 /nfs/dbraw/zinc/24/42/62/467244262.db2.gz CMHVLHNDYSWBAF-XNRPHZJLSA-N 2 2 341.293 2.140 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390140 467391871 /nfs/dbraw/zinc/39/18/71/467391871.db2.gz YAKWPUZMEUTHHP-XLIONFOSSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420390140 467391873 /nfs/dbraw/zinc/39/18/73/467391873.db2.gz YAKWPUZMEUTHHP-XLIONFOSSA-N 2 2 329.488 2.417 10 0 EEAELP Cn1cc(Cl)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000420919271 467513440 /nfs/dbraw/zinc/51/34/40/467513440.db2.gz YUIOYPTXXGRYSC-UHFFFAOYSA-N 2 2 326.872 2.150 10 0 EEAELP COc1cc(F)cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000449021461 467612936 /nfs/dbraw/zinc/61/29/36/467612936.db2.gz CMARRYWNNMZIFN-SFHVURJKSA-N 2 2 335.467 2.436 10 0 EEAELP COc1cc(F)cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000449021461 467612937 /nfs/dbraw/zinc/61/29/37/467612937.db2.gz CMARRYWNNMZIFN-SFHVURJKSA-N 2 2 335.467 2.436 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000449391072 467636417 /nfs/dbraw/zinc/63/64/17/467636417.db2.gz HPOVBTWHWGQPDI-PMACEKPBSA-N 2 2 331.504 2.087 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000449391072 467636418 /nfs/dbraw/zinc/63/64/18/467636418.db2.gz HPOVBTWHWGQPDI-PMACEKPBSA-N 2 2 331.504 2.087 10 0 EEAELP CO[C@@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)c1ccc(F)cc1 ZINC000528516027 467692740 /nfs/dbraw/zinc/69/27/40/467692740.db2.gz IULOCNGKIMEGST-SFHVURJKSA-N 2 2 336.451 2.340 10 0 EEAELP CC(C)(C[NH+]1CCCC1)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000458243110 467796318 /nfs/dbraw/zinc/79/63/18/467796318.db2.gz BPYZQHJTCSKDLT-UHFFFAOYSA-N 2 2 347.385 2.119 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459396070 467957294 /nfs/dbraw/zinc/95/72/94/467957294.db2.gz BPXXVPWGFSSTSR-MJGOQNOKSA-N 2 2 347.503 2.112 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459396070 467957296 /nfs/dbraw/zinc/95/72/96/467957296.db2.gz BPXXVPWGFSSTSR-MJGOQNOKSA-N 2 2 347.503 2.112 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COc1cccc2ccccc21 ZINC000516762864 468045162 /nfs/dbraw/zinc/04/51/62/468045162.db2.gz SZRGSSFPNRPOEO-JKSUJKDBSA-N 2 2 337.423 2.450 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COc1cccc2ccccc21 ZINC000516762864 468045166 /nfs/dbraw/zinc/04/51/66/468045166.db2.gz SZRGSSFPNRPOEO-JKSUJKDBSA-N 2 2 337.423 2.450 10 0 EEAELP c1cn(Cc2ccc(C[NH2+]C3CCN(c4cnccn4)CC3)cc2)c[nH+]1 ZINC000532450755 468119585 /nfs/dbraw/zinc/11/95/85/468119585.db2.gz ICPLXNSUAMSGGC-UHFFFAOYSA-N 2 2 348.454 2.480 10 0 EEAELP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000518685462 468123126 /nfs/dbraw/zinc/12/31/26/468123126.db2.gz RDBUBVKXANLJPC-HNNXBMFYSA-N 2 2 333.480 2.419 10 0 EEAELP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000518685462 468123128 /nfs/dbraw/zinc/12/31/28/468123128.db2.gz RDBUBVKXANLJPC-HNNXBMFYSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000533574051 468214766 /nfs/dbraw/zinc/21/47/66/468214766.db2.gz NJBZWUOMGIHMHJ-BRWVUGGUSA-N 2 2 345.491 2.222 10 0 EEAELP CS(=O)(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605738 468565827 /nfs/dbraw/zinc/56/58/27/468565827.db2.gz RKBNIPFNAMLOHI-KRWDZBQOSA-N 2 2 348.512 2.350 10 0 EEAELP CS(=O)(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605738 468565831 /nfs/dbraw/zinc/56/58/31/468565831.db2.gz RKBNIPFNAMLOHI-KRWDZBQOSA-N 2 2 348.512 2.350 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000557663800 468645253 /nfs/dbraw/zinc/64/52/53/468645253.db2.gz NRZUJFDNSJVNGP-XHBKTUGNSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000557663800 468645256 /nfs/dbraw/zinc/64/52/56/468645256.db2.gz NRZUJFDNSJVNGP-XHBKTUGNSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000557663800 468645261 /nfs/dbraw/zinc/64/52/61/468645261.db2.gz NRZUJFDNSJVNGP-XHBKTUGNSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000557663800 468645264 /nfs/dbraw/zinc/64/52/64/468645264.db2.gz NRZUJFDNSJVNGP-XHBKTUGNSA-N 2 2 337.414 2.168 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000570513026 468649823 /nfs/dbraw/zinc/64/98/23/468649823.db2.gz WGIKNBKPJMOQSW-KUDNYVPYSA-N 2 2 340.418 2.135 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000570513026 468649829 /nfs/dbraw/zinc/64/98/29/468649829.db2.gz WGIKNBKPJMOQSW-KUDNYVPYSA-N 2 2 340.418 2.135 10 0 EEAELP C[C@@H](CSCCF)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000595008917 468741818 /nfs/dbraw/zinc/74/18/18/468741818.db2.gz WHQUYYCREWBVKG-WMLDXEAASA-N 2 2 326.481 2.086 10 0 EEAELP C[C@@H](CSCCF)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000595008917 468741822 /nfs/dbraw/zinc/74/18/22/468741822.db2.gz WHQUYYCREWBVKG-WMLDXEAASA-N 2 2 326.481 2.086 10 0 EEAELP O[C@@H](C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)CC1CCCC1 ZINC000571198215 468753750 /nfs/dbraw/zinc/75/37/50/468753750.db2.gz HSRCSVLIZJVCJQ-HXUWFJFHSA-N 3 2 346.519 2.125 10 0 EEAELP CC(C)(C)OC(=O)COCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000601144873 468759477 /nfs/dbraw/zinc/75/94/77/468759477.db2.gz DVPPHCRNFYLSBT-UHFFFAOYSA-N 2 2 331.416 2.320 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601219728 468786655 /nfs/dbraw/zinc/78/66/55/468786655.db2.gz FLAIPJCXYXXQKC-INIZCTEOSA-N 2 2 341.459 2.223 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000601219728 468786660 /nfs/dbraw/zinc/78/66/60/468786660.db2.gz FLAIPJCXYXXQKC-INIZCTEOSA-N 2 2 341.459 2.223 10 0 EEAELP COc1cccc([C@H](CNC(=O)C[NH+]2CC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000561055131 468861396 /nfs/dbraw/zinc/86/13/96/468861396.db2.gz DYJIOAXOMVJTLR-SFHVURJKSA-N 2 2 345.487 2.290 10 0 EEAELP CC(C)[C@@H]1C[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])c2ccccc21 ZINC000561199447 468875769 /nfs/dbraw/zinc/87/57/69/468875769.db2.gz FKIGSOSHCRMJRE-BXWFABGCSA-N 2 2 344.503 2.198 10 0 EEAELP CC(C)[C@@H]1C[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])c2ccccc21 ZINC000561199447 468875771 /nfs/dbraw/zinc/87/57/71/468875771.db2.gz FKIGSOSHCRMJRE-BXWFABGCSA-N 2 2 344.503 2.198 10 0 EEAELP CCOCC[C@H](O)C[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000563002829 469132127 /nfs/dbraw/zinc/13/21/27/469132127.db2.gz LIHQQTUDEDKVIF-NRXISQOPSA-N 2 2 338.414 2.169 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)CC1 ZINC000611976314 469355860 /nfs/dbraw/zinc/35/58/60/469355860.db2.gz BEYXXOPJBZGFNR-RDJZCZTQSA-N 2 2 343.462 2.344 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cccc1 ZINC000604868136 469523281 /nfs/dbraw/zinc/52/32/81/469523281.db2.gz IQIPTHMNJHSNCW-FUHWJXTLSA-N 2 2 332.492 2.066 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cccc1 ZINC000604868136 469523284 /nfs/dbraw/zinc/52/32/84/469523284.db2.gz IQIPTHMNJHSNCW-FUHWJXTLSA-N 2 2 332.492 2.066 10 0 EEAELP COCC1(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000623018433 469524540 /nfs/dbraw/zinc/52/45/40/469524540.db2.gz ILKBDDLKVFJCDE-UHFFFAOYSA-N 2 2 339.524 2.068 10 0 EEAELP COCC1(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)CCCCC1 ZINC000623018433 469524543 /nfs/dbraw/zinc/52/45/43/469524543.db2.gz ILKBDDLKVFJCDE-UHFFFAOYSA-N 2 2 339.524 2.068 10 0 EEAELP [NH3+]C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000629523735 469572696 /nfs/dbraw/zinc/57/26/96/469572696.db2.gz IQJXQCRREMPMNO-REPLKXPHSA-N 3 2 329.488 2.280 10 0 EEAELP [NH3+]C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000629523735 469572700 /nfs/dbraw/zinc/57/27/00/469572700.db2.gz IQJXQCRREMPMNO-REPLKXPHSA-N 3 2 329.488 2.280 10 0 EEAELP C(c1nc(C2CCCCC2)no1)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000629550844 469576318 /nfs/dbraw/zinc/57/63/18/469576318.db2.gz PHWKSWPJDPJSEC-KRWDZBQOSA-N 2 2 348.491 2.360 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000629584069 469585174 /nfs/dbraw/zinc/58/51/74/469585174.db2.gz KVNPIEOTEXXABQ-XWIAVFTESA-N 2 2 335.879 2.449 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000629584069 469585179 /nfs/dbraw/zinc/58/51/79/469585179.db2.gz KVNPIEOTEXXABQ-XWIAVFTESA-N 2 2 335.879 2.449 10 0 EEAELP COc1ccc(COC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629600710 469589869 /nfs/dbraw/zinc/58/98/69/469589869.db2.gz BPSHGCUUNKAUCA-OALUTQOASA-N 2 2 348.487 2.179 10 0 EEAELP COc1ccc(COC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629600710 469589873 /nfs/dbraw/zinc/58/98/73/469589873.db2.gz BPSHGCUUNKAUCA-OALUTQOASA-N 2 2 348.487 2.179 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)cnc2n1 ZINC000629657211 469600207 /nfs/dbraw/zinc/60/02/07/469600207.db2.gz UYFWSXVQKAETJA-GXTWGEPZSA-N 2 2 341.381 2.305 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)cnc2n1 ZINC000629657211 469600210 /nfs/dbraw/zinc/60/02/10/469600210.db2.gz UYFWSXVQKAETJA-GXTWGEPZSA-N 2 2 341.381 2.305 10 0 EEAELP C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000606582369 469621004 /nfs/dbraw/zinc/62/10/04/469621004.db2.gz MCYNRQTVZAQKEU-UHFFFAOYSA-N 2 2 338.415 2.325 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626923062 469755556 /nfs/dbraw/zinc/75/55/56/469755556.db2.gz KNNVAWIKQJRKJZ-DZGCQCFKSA-N 2 2 329.448 2.175 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000617763126 469794381 /nfs/dbraw/zinc/79/43/81/469794381.db2.gz GAQZGUHLLFCGBV-HOCLYGCPSA-N 2 2 331.451 2.202 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@@]12CCCC[C@@H]1C2(F)F ZINC000617763126 469794387 /nfs/dbraw/zinc/79/43/87/469794387.db2.gz GAQZGUHLLFCGBV-HOCLYGCPSA-N 2 2 331.451 2.202 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(F)F)cc1F ZINC000617763370 469796493 /nfs/dbraw/zinc/79/64/93/469796493.db2.gz ORXPVHBUWQPJNI-UHFFFAOYSA-N 2 2 331.382 2.377 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(F)F)cc1F ZINC000617763370 469796498 /nfs/dbraw/zinc/79/64/98/469796498.db2.gz ORXPVHBUWQPJNI-UHFFFAOYSA-N 2 2 331.382 2.377 10 0 EEAELP CCn1cc(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617767013 469797199 /nfs/dbraw/zinc/79/71/99/469797199.db2.gz CMJPNJUWBRCBGA-UHFFFAOYSA-N 2 2 344.503 2.203 10 0 EEAELP CCn1cc(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c2ccccc21 ZINC000617767013 469797203 /nfs/dbraw/zinc/79/72/03/469797203.db2.gz CMJPNJUWBRCBGA-UHFFFAOYSA-N 2 2 344.503 2.203 10 0 EEAELP Cc1nc(C(C)C)sc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617767127 469797908 /nfs/dbraw/zinc/79/79/08/469797908.db2.gz HXABOKZJBUFHMG-UHFFFAOYSA-N 2 2 326.510 2.188 10 0 EEAELP Cc1nc(C(C)C)sc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617767127 469797911 /nfs/dbraw/zinc/79/79/11/469797911.db2.gz HXABOKZJBUFHMG-UHFFFAOYSA-N 2 2 326.510 2.188 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000617767855 469798654 /nfs/dbraw/zinc/79/86/54/469798654.db2.gz FZXJGAFTGFEFGL-UHFFFAOYSA-N 2 2 337.895 2.371 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2ccc(Cl)cc2)CC1 ZINC000617767855 469798658 /nfs/dbraw/zinc/79/86/58/469798658.db2.gz FZXJGAFTGFEFGL-UHFFFAOYSA-N 2 2 337.895 2.371 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)CC2 ZINC000627216600 469847709 /nfs/dbraw/zinc/84/77/09/469847709.db2.gz XDMVNMCKYANMTC-INIZCTEOSA-N 2 2 344.459 2.327 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)CC2 ZINC000627216600 469847711 /nfs/dbraw/zinc/84/77/11/469847711.db2.gz XDMVNMCKYANMTC-INIZCTEOSA-N 2 2 344.459 2.327 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000628061717 470049860 /nfs/dbraw/zinc/04/98/60/470049860.db2.gz NWMNJDPFDDFDDC-CGTJXYLNSA-N 2 2 349.906 2.225 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000628061717 470049861 /nfs/dbraw/zinc/04/98/61/470049861.db2.gz NWMNJDPFDDFDDC-CGTJXYLNSA-N 2 2 349.906 2.225 10 0 EEAELP C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)O1 ZINC000631175054 470086644 /nfs/dbraw/zinc/08/66/44/470086644.db2.gz RLHYOSFGHHKBAF-FXAWDEMLSA-N 2 2 348.487 2.445 10 0 EEAELP Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc(N)[nH+]1 ZINC000631184456 470088986 /nfs/dbraw/zinc/08/89/86/470088986.db2.gz UWDJERMQTIRDFG-STQMWFEESA-N 2 2 336.802 2.412 10 0 EEAELP Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)nc(N)[nH+]1 ZINC000631184456 470088987 /nfs/dbraw/zinc/08/89/87/470088987.db2.gz UWDJERMQTIRDFG-STQMWFEESA-N 2 2 336.802 2.412 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccc2ccsc21 ZINC000625560450 470163987 /nfs/dbraw/zinc/16/39/87/470163987.db2.gz NOMOMAIOXHARMS-UHFFFAOYSA-N 2 2 346.500 2.394 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nccc2ccsc21 ZINC000625560450 470163988 /nfs/dbraw/zinc/16/39/88/470163988.db2.gz NOMOMAIOXHARMS-UHFFFAOYSA-N 2 2 346.500 2.394 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@H]1C[NH3+] ZINC000631838830 470186908 /nfs/dbraw/zinc/18/69/08/470186908.db2.gz VUMCQSPHEBHEMT-DGCLKSJQSA-N 2 2 348.447 2.414 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)C[C@H]1C[NH3+] ZINC000631838830 470186909 /nfs/dbraw/zinc/18/69/09/470186909.db2.gz VUMCQSPHEBHEMT-DGCLKSJQSA-N 2 2 348.447 2.414 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC12CC3CC(CC(C3)C1)C2 ZINC000631885015 470189209 /nfs/dbraw/zinc/18/92/09/470189209.db2.gz SFZFAJPHSZXUIB-JFNPMQPZSA-N 2 2 331.504 2.145 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)NC12CC3CC(CC(C3)C1)C2 ZINC000631885015 470189210 /nfs/dbraw/zinc/18/92/10/470189210.db2.gz SFZFAJPHSZXUIB-JFNPMQPZSA-N 2 2 331.504 2.145 10 0 EEAELP O[C@]1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712872 470284696 /nfs/dbraw/zinc/28/46/96/470284696.db2.gz NHZLXVUQYFSMKI-CBNMVNINSA-N 3 2 343.515 2.230 10 0 EEAELP O[C@]1(C[NH2+]C2CC([NH+]3CCCCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712872 470284697 /nfs/dbraw/zinc/28/46/97/470284697.db2.gz NHZLXVUQYFSMKI-CBNMVNINSA-N 3 2 343.515 2.230 10 0 EEAELP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)NC/C=C\C[NH3+])CC1 ZINC000641860209 470502360 /nfs/dbraw/zinc/50/23/60/470502360.db2.gz TYCHMOXBAXOVLV-SFAKSCPVSA-N 2 2 336.867 2.243 10 0 EEAELP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000649393387 470571709 /nfs/dbraw/zinc/57/17/09/470571709.db2.gz DCQZODVMGDHHNA-UKRRQHHQSA-N 2 2 329.435 2.226 10 0 EEAELP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000649393387 470571713 /nfs/dbraw/zinc/57/17/13/470571713.db2.gz DCQZODVMGDHHNA-UKRRQHHQSA-N 2 2 329.435 2.226 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269514 470587035 /nfs/dbraw/zinc/58/70/35/470587035.db2.gz IEMAJBWXGFYHEG-ZFWWWQNUSA-N 2 2 327.831 2.468 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269514 470587038 /nfs/dbraw/zinc/58/70/38/470587038.db2.gz IEMAJBWXGFYHEG-ZFWWWQNUSA-N 2 2 327.831 2.468 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)[C@@H](C)C1 ZINC000649587807 470634387 /nfs/dbraw/zinc/63/43/87/470634387.db2.gz SKVFAFWSYCQXPW-LPHOPBHVSA-N 2 2 334.508 2.446 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)[C@@H](C)C1 ZINC000649587807 470634389 /nfs/dbraw/zinc/63/43/89/470634389.db2.gz SKVFAFWSYCQXPW-LPHOPBHVSA-N 2 2 334.508 2.446 10 0 EEAELP c1cn(CCCN2CCO[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000649751741 470685440 /nfs/dbraw/zinc/68/54/40/470685440.db2.gz QXUPRFXBCIVKMB-PMACEKPBSA-N 2 2 340.471 2.249 10 0 EEAELP c1cn(CCCN2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH+]1 ZINC000649751741 470685443 /nfs/dbraw/zinc/68/54/43/470685443.db2.gz QXUPRFXBCIVKMB-PMACEKPBSA-N 2 2 340.471 2.249 10 0 EEAELP c1cn(CCCN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000649751744 470685680 /nfs/dbraw/zinc/68/56/80/470685680.db2.gz QXUPRFXBCIVKMB-WOJBJXKFSA-N 2 2 340.471 2.249 10 0 EEAELP c1cn(CCCN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c[nH+]1 ZINC000649751744 470685683 /nfs/dbraw/zinc/68/56/83/470685683.db2.gz QXUPRFXBCIVKMB-WOJBJXKFSA-N 2 2 340.471 2.249 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000643545258 470718035 /nfs/dbraw/zinc/71/80/35/470718035.db2.gz SGBNPGREAOVSFD-GOEBONIOSA-N 2 2 337.489 2.019 10 0 EEAELP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000635727008 470729169 /nfs/dbraw/zinc/72/91/69/470729169.db2.gz VPNXUUHGBQMCSP-IAOVAPTHSA-N 2 2 339.443 2.250 10 0 EEAELP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000635727008 470729172 /nfs/dbraw/zinc/72/91/72/470729172.db2.gz VPNXUUHGBQMCSP-IAOVAPTHSA-N 2 2 339.443 2.250 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C(C)(C)C ZINC000640620116 470973531 /nfs/dbraw/zinc/97/35/31/470973531.db2.gz FCIOSPBNEBZOCX-MRXNPFEDSA-N 2 2 327.432 2.070 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1C(C)(C)C ZINC000640620116 470973536 /nfs/dbraw/zinc/97/35/36/470973536.db2.gz FCIOSPBNEBZOCX-MRXNPFEDSA-N 2 2 327.432 2.070 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900398 471011319 /nfs/dbraw/zinc/01/13/19/471011319.db2.gz ANQWQZDRGWDMHP-QGPMSJSTSA-N 2 2 333.451 2.294 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647900398 471011324 /nfs/dbraw/zinc/01/13/24/471011324.db2.gz ANQWQZDRGWDMHP-QGPMSJSTSA-N 2 2 333.451 2.294 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)Cc1ccccc1 ZINC000651028031 471027860 /nfs/dbraw/zinc/02/78/60/471027860.db2.gz CEGPUYUUADAOBV-SFHVURJKSA-N 2 2 340.471 2.051 10 0 EEAELP Nc1nc(NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2c([nH+]1)CCCC2 ZINC000645135724 471149640 /nfs/dbraw/zinc/14/96/40/471149640.db2.gz OVXWMHYQUGZQMB-UHFFFAOYSA-N 2 2 338.390 2.296 10 0 EEAELP c1cc2c(nc[nH+]c2N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000651415051 471164901 /nfs/dbraw/zinc/16/49/01/471164901.db2.gz XGWVDLSZGYDTKW-ZWKOTPCHSA-N 2 2 349.438 2.438 10 0 EEAELP c1cc2c(nc[nH+]c2N2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)[nH]1 ZINC000651415051 471164906 /nfs/dbraw/zinc/16/49/06/471164906.db2.gz XGWVDLSZGYDTKW-ZWKOTPCHSA-N 2 2 349.438 2.438 10 0 EEAELP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658340883 471290408 /nfs/dbraw/zinc/29/04/08/471290408.db2.gz FGMARPFMYBROCJ-VQTJNVASSA-N 2 2 341.503 2.277 10 0 EEAELP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)c1cnn(C)c1 ZINC000658340883 471290409 /nfs/dbraw/zinc/29/04/09/471290409.db2.gz FGMARPFMYBROCJ-VQTJNVASSA-N 2 2 341.503 2.277 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244188 471291074 /nfs/dbraw/zinc/29/10/74/471291074.db2.gz NXGRCXQHXIPVED-XLMAVXFVSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244188 471291076 /nfs/dbraw/zinc/29/10/76/471291076.db2.gz NXGRCXQHXIPVED-XLMAVXFVSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244188 471291078 /nfs/dbraw/zinc/29/10/78/471291078.db2.gz NXGRCXQHXIPVED-XLMAVXFVSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244188 471291082 /nfs/dbraw/zinc/29/10/82/471291082.db2.gz NXGRCXQHXIPVED-XLMAVXFVSA-N 2 2 337.508 2.007 10 0 EEAELP CCC[N@@H+]1CC[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000660380835 471316033 /nfs/dbraw/zinc/31/60/33/471316033.db2.gz DWEXUYGRFWZTOK-ZDUSSCGKSA-N 2 2 335.839 2.271 10 0 EEAELP CCC[N@H+]1CC[C@H](NC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000660380835 471316037 /nfs/dbraw/zinc/31/60/37/471316037.db2.gz DWEXUYGRFWZTOK-ZDUSSCGKSA-N 2 2 335.839 2.271 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc(Cl)cc1 ZINC000663409566 471363624 /nfs/dbraw/zinc/36/36/24/471363624.db2.gz JXIJXBJDFMKEKM-UHFFFAOYSA-N 2 2 340.899 2.065 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc(Cl)cc1 ZINC000663409566 471363628 /nfs/dbraw/zinc/36/36/28/471363628.db2.gz JXIJXBJDFMKEKM-UHFFFAOYSA-N 2 2 340.899 2.065 10 0 EEAELP CC[N@H+](CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655911056 471533094 /nfs/dbraw/zinc/53/30/94/471533094.db2.gz ACGVIJMOBMJASL-CYBMUJFWSA-N 2 2 332.370 2.092 10 0 EEAELP CC[N@@H+](CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccccc1 ZINC000655911056 471533099 /nfs/dbraw/zinc/53/30/99/471533099.db2.gz ACGVIJMOBMJASL-CYBMUJFWSA-N 2 2 332.370 2.092 10 0 EEAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655926406 471543831 /nfs/dbraw/zinc/54/38/31/471543831.db2.gz FITZDMYCLBUESP-MNOVXSKESA-N 2 2 333.358 2.029 10 0 EEAELP COc1c(C)[nH+]cnc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000656201408 471631119 /nfs/dbraw/zinc/63/11/19/471631119.db2.gz CGDBLRPWAFFCKP-UHFFFAOYSA-N 2 2 342.443 2.233 10 0 EEAELP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670082520 471674230 /nfs/dbraw/zinc/67/42/30/471674230.db2.gz VMIFMQPXMBWNBV-AWEZNQCLSA-N 2 2 333.480 2.202 10 0 EEAELP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670082520 471674225 /nfs/dbraw/zinc/67/42/25/471674225.db2.gz VMIFMQPXMBWNBV-AWEZNQCLSA-N 2 2 333.480 2.202 10 0 EEAELP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)c2[nH+]ccn2C)cc1 ZINC000667250087 471708950 /nfs/dbraw/zinc/70/89/50/471708950.db2.gz HHDNBRRYQFNSDQ-XJKSGUPXSA-N 2 2 345.447 2.092 10 0 EEAELP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1cscn1 ZINC000661417512 471750786 /nfs/dbraw/zinc/75/07/86/471750786.db2.gz HBYBOAORJMPOQC-CJNGLKHVSA-N 2 2 332.473 2.213 10 0 EEAELP CCCCNc1cc(N2CCC[C@H](C3CC[NH2+]CC3)C2)nc(N)[nH+]1 ZINC000656609979 471781018 /nfs/dbraw/zinc/78/10/18/471781018.db2.gz YBYGFSHQSRUIOR-HNNXBMFYSA-N 2 2 332.496 2.487 10 0 EEAELP CCCCNc1cc(N2CCC[C@H](C3CC[NH2+]CC3)C2)[nH+]c(N)n1 ZINC000656609979 471781022 /nfs/dbraw/zinc/78/10/22/471781022.db2.gz YBYGFSHQSRUIOR-HNNXBMFYSA-N 2 2 332.496 2.487 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N(CCC2CC2)CC2CC2)CC1 ZINC000664539331 471786936 /nfs/dbraw/zinc/78/69/36/471786936.db2.gz MWQDYBOCHBNTDE-UHFFFAOYSA-N 2 2 336.524 2.234 10 0 EEAELP c1cc(C[NH+]2CCC(c3nnc4n3CCC4)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667531434 471813363 /nfs/dbraw/zinc/81/33/63/471813363.db2.gz GEIWAMBAMLXPJM-UHFFFAOYSA-N 2 2 349.442 2.185 10 0 EEAELP c1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)n(-c2cc[nH+]cc2)n1 ZINC000667601834 471838779 /nfs/dbraw/zinc/83/87/79/471838779.db2.gz LBRNAYHUPZEWOV-HNNXBMFYSA-N 2 2 349.442 2.185 10 0 EEAELP c1ccc(N2CC[NH+](CCC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667774958 471899879 /nfs/dbraw/zinc/89/98/79/471899879.db2.gz XMTZBCGGNPNTDP-ICSRJNTNSA-N 2 2 329.488 2.356 10 0 EEAELP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667949680 471959012 /nfs/dbraw/zinc/95/90/12/471959012.db2.gz IUTFPMNIAVGLAN-IBGZPJMESA-N 2 2 338.455 2.495 10 0 EEAELP O=C(CC[N@H+]1CCc2ccccc2C1)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000667949680 471959018 /nfs/dbraw/zinc/95/90/18/471959018.db2.gz IUTFPMNIAVGLAN-IBGZPJMESA-N 2 2 338.455 2.495 10 0 EEAELP C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1[nH+]ccn1C ZINC000662098551 471984440 /nfs/dbraw/zinc/98/44/40/471984440.db2.gz WESKXQKYVSUTEU-MRXNPFEDSA-N 2 2 341.459 2.399 10 0 EEAELP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1[nH+]ccn1C ZINC000662098551 471984444 /nfs/dbraw/zinc/98/44/44/471984444.db2.gz WESKXQKYVSUTEU-MRXNPFEDSA-N 2 2 341.459 2.399 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662097775 471984549 /nfs/dbraw/zinc/98/45/49/471984549.db2.gz SGCRSNYOAFOPJF-HOCLYGCPSA-N 2 2 327.432 2.055 10 0 EEAELP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662097775 471984554 /nfs/dbraw/zinc/98/45/54/471984554.db2.gz SGCRSNYOAFOPJF-HOCLYGCPSA-N 2 2 327.432 2.055 10 0 EEAELP COc1ccc([C@H]([NH2+]CCc2cncc(C)n2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665274473 471986662 /nfs/dbraw/zinc/98/66/62/471986662.db2.gz QRXXUWBBOMROHQ-OALUTQOASA-N 2 2 326.444 2.419 10 0 EEAELP COc1ccccc1-c1cc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)on1 ZINC000665298885 471995452 /nfs/dbraw/zinc/99/54/52/471995452.db2.gz BUSHIQZVPCTNAI-KBPBESRZSA-N 2 2 331.416 2.207 10 0 EEAELP CC1(C)OCc2cc(C[NH+]3CCC([N@@H+]4CC[C@@H](O)C4)CC3)ccc2O1 ZINC000668738190 472245466 /nfs/dbraw/zinc/24/54/66/472245466.db2.gz BWNCXEGJKHZEET-GOSISDBHSA-N 2 2 346.471 2.363 10 0 EEAELP CC1(C)OCc2cc(C[NH+]3CCC([N@H+]4CC[C@@H](O)C4)CC3)ccc2O1 ZINC000668738190 472245471 /nfs/dbraw/zinc/24/54/71/472245471.db2.gz BWNCXEGJKHZEET-GOSISDBHSA-N 2 2 346.471 2.363 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cc(F)ccc1Cl ZINC000665965359 472253995 /nfs/dbraw/zinc/25/39/95/472253995.db2.gz MYOAIVANEQVZTB-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cc(F)ccc1Cl ZINC000665965359 472253998 /nfs/dbraw/zinc/25/39/98/472253998.db2.gz MYOAIVANEQVZTB-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000629571023 485736144 /nfs/dbraw/zinc/73/61/44/485736144.db2.gz IFVOYRDZVIWYDL-UHFFFAOYSA-N 2 2 335.473 2.487 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)Cc1csc(-c2cccc(OC)c2)n1 ZINC000629571023 485736149 /nfs/dbraw/zinc/73/61/49/485736149.db2.gz IFVOYRDZVIWYDL-UHFFFAOYSA-N 2 2 335.473 2.487 10 0 EEAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596586 485737954 /nfs/dbraw/zinc/73/79/54/485737954.db2.gz SFNFPQHDCSIBKG-ACZWYYKOSA-N 2 2 329.488 2.492 10 0 EEAELP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629596586 485737960 /nfs/dbraw/zinc/73/79/60/485737960.db2.gz SFNFPQHDCSIBKG-ACZWYYKOSA-N 2 2 329.488 2.492 10 0 EEAELP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)cc1 ZINC000671151339 485766847 /nfs/dbraw/zinc/76/68/47/485766847.db2.gz CJUUETBRMPJKOR-UHFFFAOYSA-N 2 2 330.413 2.197 10 0 EEAELP CC1(C)OCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000631147721 485775127 /nfs/dbraw/zinc/77/51/27/485775127.db2.gz QASHFOMQRHEMPM-GOSISDBHSA-N 2 2 334.460 2.055 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613541 486160971 /nfs/dbraw/zinc/16/09/71/486160971.db2.gz JJGAEIYCGNJNTE-QZTJIDSGSA-N 2 2 348.878 2.276 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613541 486160974 /nfs/dbraw/zinc/16/09/74/486160974.db2.gz JJGAEIYCGNJNTE-QZTJIDSGSA-N 2 2 348.878 2.276 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613541 486160977 /nfs/dbraw/zinc/16/09/77/486160977.db2.gz JJGAEIYCGNJNTE-QZTJIDSGSA-N 2 2 348.878 2.276 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613541 486160982 /nfs/dbraw/zinc/16/09/82/486160982.db2.gz JJGAEIYCGNJNTE-QZTJIDSGSA-N 2 2 348.878 2.276 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccoc3C(F)(F)F)C2)CC1 ZINC000685734358 486178780 /nfs/dbraw/zinc/17/87/80/486178780.db2.gz JMSFTGCFXWDQPA-LLVKDONJSA-N 2 2 345.365 2.197 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccoc3C(F)(F)F)C2)CC1 ZINC000685734358 486178783 /nfs/dbraw/zinc/17/87/83/486178783.db2.gz JMSFTGCFXWDQPA-LLVKDONJSA-N 2 2 345.365 2.197 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000673041280 486260533 /nfs/dbraw/zinc/26/05/33/486260533.db2.gz ITJMZDMWJLJMTG-WBVHZDCISA-N 2 2 332.835 2.178 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000673041280 486260536 /nfs/dbraw/zinc/26/05/36/486260536.db2.gz ITJMZDMWJLJMTG-WBVHZDCISA-N 2 2 332.835 2.178 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677940734 486529716 /nfs/dbraw/zinc/52/97/16/486529716.db2.gz YIKLXGSUDPFNSR-ZACQAIPSSA-N 2 2 337.414 2.311 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677940734 486529720 /nfs/dbraw/zinc/52/97/20/486529720.db2.gz YIKLXGSUDPFNSR-ZACQAIPSSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677940734 486529724 /nfs/dbraw/zinc/52/97/24/486529724.db2.gz YIKLXGSUDPFNSR-ZACQAIPSSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000677940734 486529729 /nfs/dbraw/zinc/52/97/29/486529729.db2.gz YIKLXGSUDPFNSR-ZACQAIPSSA-N 2 2 337.414 2.311 10 0 EEAELP COc1ccc([C@@H](NCC(C)(C)[NH+]2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422757909 536889997 /nfs/dbraw/zinc/88/99/97/536889997.db2.gz NJYKSRILQUOTNA-RTBURBONSA-N 2 2 347.503 2.189 10 0 EEAELP COc1ccc([C@H](NCC(C)(C)[NH+]2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422757907 536929955 /nfs/dbraw/zinc/92/99/55/536929955.db2.gz NJYKSRILQUOTNA-OALUTQOASA-N 2 2 347.503 2.189 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)/C=C\c3ccnc(Cl)c3)C2)CC1 ZINC000761736269 577688703 /nfs/dbraw/zinc/68/87/03/577688703.db2.gz BTISUALGNGGNFB-GWQWAINWSA-N 2 2 348.878 2.033 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)/C=C\c3ccnc(Cl)c3)C2)CC1 ZINC000761736269 577688704 /nfs/dbraw/zinc/68/87/04/577688704.db2.gz BTISUALGNGGNFB-GWQWAINWSA-N 2 2 348.878 2.033 10 0 EEAELP CC[N@H+](CCc1ccccn1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000747669543 577947929 /nfs/dbraw/zinc/94/79/29/577947929.db2.gz QJVMKXSCQRGSKW-FQEVSTJZSA-N 2 2 327.472 2.439 10 0 EEAELP CC[N@@H+](CCc1ccccn1)C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000747669543 577947930 /nfs/dbraw/zinc/94/79/30/577947930.db2.gz QJVMKXSCQRGSKW-FQEVSTJZSA-N 2 2 327.472 2.439 10 0 EEAELP CC[NH+](CCc1ccccn1)C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000747669543 577947931 /nfs/dbraw/zinc/94/79/31/577947931.db2.gz QJVMKXSCQRGSKW-FQEVSTJZSA-N 2 2 327.472 2.439 10 0 EEAELP CC[NH+](CCc1ccccn1)C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000747669543 577947932 /nfs/dbraw/zinc/94/79/32/577947932.db2.gz QJVMKXSCQRGSKW-FQEVSTJZSA-N 2 2 327.472 2.439 10 0 EEAELP CC[NH+](CC)CCN(CCOC)C(=O)Nc1ccc2[nH+]ccn2c1 ZINC000738950043 578032225 /nfs/dbraw/zinc/03/22/25/578032225.db2.gz QKPSVZAPGLMVIG-UHFFFAOYSA-N 2 2 333.436 2.156 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000894773617 683077552 /nfs/dbraw/zinc/07/75/52/683077552.db2.gz XWNCYEYFEWLBJG-HNNXBMFYSA-N 2 2 342.491 2.496 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(OC(F)(F)F)cc1 ZINC000925533848 684148282 /nfs/dbraw/zinc/14/82/82/684148282.db2.gz HIDWRIUPYCXLID-ZIAGYGMSSA-N 2 2 330.350 2.493 10 0 EEAELP c1cc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)nc(N2CCCCC2)[nH+]1 ZINC000895566287 684647755 /nfs/dbraw/zinc/64/77/55/684647755.db2.gz IOEWGEPIRCDULI-LSDHHAIUSA-N 2 2 333.505 2.459 10 0 EEAELP c1cc(N[C@H]2CCC[N@H+]3CCSC[C@H]23)nc(N2CCCCC2)[nH+]1 ZINC000895566287 684647758 /nfs/dbraw/zinc/64/77/58/684647758.db2.gz IOEWGEPIRCDULI-LSDHHAIUSA-N 2 2 333.505 2.459 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCc2cccc(OCC[NH+](C)C)c2)c[nH+]1 ZINC000895763396 684715138 /nfs/dbraw/zinc/71/51/38/684715138.db2.gz HZZZYRVWUCGMID-UHFFFAOYSA-N 2 2 344.459 2.183 10 0 EEAELP CC1(C)[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925646657 684718791 /nfs/dbraw/zinc/71/87/91/684718791.db2.gz WFANPUTUDJJEDK-KWCYVHTRSA-N 2 2 328.503 2.018 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]cn1C)C1C[NH+](CC2=CCCCC2)C1 ZINC001485535201 1191830763 /nfs/dbraw/zinc/83/07/63/1191830763.db2.gz LVEDMYWYGLDFJE-HNNXBMFYSA-N 2 2 330.476 2.290 10 0 EEAELP CCCCC[N@@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001485556968 1191835063 /nfs/dbraw/zinc/83/50/63/1191835063.db2.gz YIAVFGXPAWNGRI-IEBWSBKVSA-N 2 2 348.491 2.328 10 0 EEAELP CCCCC[N@H+]1CCO[C@]2(CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)C1 ZINC001485556968 1191835064 /nfs/dbraw/zinc/83/50/64/1191835064.db2.gz YIAVFGXPAWNGRI-IEBWSBKVSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1conc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001266244459 1176012358 /nfs/dbraw/zinc/01/23/58/1176012358.db2.gz PTJMUOCVIYNHFU-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP Cc1conc1C[N@H+]1CCC[C@@H]1CCCNC(=O)Cc1[nH]c[nH+]c1C ZINC001266244459 1176012367 /nfs/dbraw/zinc/01/23/67/1176012367.db2.gz PTJMUOCVIYNHFU-HNNXBMFYSA-N 2 2 345.447 2.118 10 0 EEAELP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C[NH2+]C/C=C/Cl)C1CC1 ZINC001485818409 1192762350 /nfs/dbraw/zinc/76/23/50/1192762350.db2.gz YWGOPCVWFOMQKO-OJORPGRJSA-N 2 2 336.867 2.025 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001670483920 1176828322 /nfs/dbraw/zinc/82/83/22/1176828322.db2.gz FKRLQILCJXDACE-FUHWJXTLSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)o1 ZINC001266702131 1177227678 /nfs/dbraw/zinc/22/76/78/1177227678.db2.gz POVMGTOBAQXRAQ-INIZCTEOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC001266702131 1177227684 /nfs/dbraw/zinc/22/76/84/1177227684.db2.gz POVMGTOBAQXRAQ-INIZCTEOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1ccncc1C[NH2+]CCN(C)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001266791688 1177435719 /nfs/dbraw/zinc/43/57/19/1177435719.db2.gz NPOQIWDPCXDXQW-UHFFFAOYSA-N 2 2 349.438 2.438 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](Cc1cc2ccccc2o1)C1CC1 ZINC001691238967 1177754243 /nfs/dbraw/zinc/75/42/43/1177754243.db2.gz HLHQSAGGGAWQQO-UHFFFAOYSA-N 2 2 338.411 2.410 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](Cc1cc2ccccc2o1)C1CC1 ZINC001691238967 1177754252 /nfs/dbraw/zinc/75/42/52/1177754252.db2.gz HLHQSAGGGAWQQO-UHFFFAOYSA-N 2 2 338.411 2.410 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc2ccccc2s1 ZINC001266981621 1178007827 /nfs/dbraw/zinc/00/78/27/1178007827.db2.gz NXHZYOSPLQZIQY-LBPRGKRZSA-N 2 2 328.441 2.461 10 0 EEAELP Cc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001267388322 1178951549 /nfs/dbraw/zinc/95/15/49/1178951549.db2.gz VSOMCURLZLTBJZ-KRWDZBQOSA-N 2 2 347.463 2.323 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)CC[NH2+]C[C@@H](O)c2ccccc2)c(C)[nH+]1 ZINC001267407997 1178981469 /nfs/dbraw/zinc/98/14/69/1178981469.db2.gz ZHMQYWGXRUMCAX-GOSISDBHSA-N 2 2 341.455 2.402 10 0 EEAELP CC(C)Cc1ccc(C[NH2+]CCN(C)C(=O)Cc2c[nH+]cn2C)cc1 ZINC001267456504 1179039194 /nfs/dbraw/zinc/03/91/94/1179039194.db2.gz ZRNDRWLIOBYGQP-UHFFFAOYSA-N 2 2 342.487 2.409 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCC1CC1 ZINC001267504592 1179204030 /nfs/dbraw/zinc/20/40/30/1179204030.db2.gz VPYFPSICRNFQBC-QGZVFWFLSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CCC1CC1 ZINC001267504592 1179204037 /nfs/dbraw/zinc/20/40/37/1179204037.db2.gz VPYFPSICRNFQBC-QGZVFWFLSA-N 2 2 332.492 2.462 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C)on1)[NH+](CC)CC ZINC001481056021 1179642426 /nfs/dbraw/zinc/64/24/26/1179642426.db2.gz DXXXYGICQBQKBY-SJORKVTESA-N 2 2 336.480 2.184 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C)on1)[NH+](CC)CC ZINC001481056021 1179642429 /nfs/dbraw/zinc/64/24/29/1179642429.db2.gz DXXXYGICQBQKBY-SJORKVTESA-N 2 2 336.480 2.184 10 0 EEAELP CO[C@H](C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001481067460 1179670207 /nfs/dbraw/zinc/67/02/07/1179670207.db2.gz RXWSPGSUIMGUJL-SJLPKXTDSA-N 2 2 348.491 2.046 10 0 EEAELP CO[C@H](C[N@H+]1CCC[C@@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CCCC1 ZINC001481067460 1179670212 /nfs/dbraw/zinc/67/02/12/1179670212.db2.gz RXWSPGSUIMGUJL-SJLPKXTDSA-N 2 2 348.491 2.046 10 0 EEAELP COc1cccc([C@@H](C)[NH+]2CC(NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001267666375 1180125666 /nfs/dbraw/zinc/12/56/66/1180125666.db2.gz FBXUKXCMXMTYGC-OAHLLOKOSA-N 2 2 333.476 2.289 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]Cc2ccc(Cl)nc2)CCCC1 ZINC001267844613 1180624249 /nfs/dbraw/zinc/62/42/49/1180624249.db2.gz SWNZTIVIZLYITE-UHFFFAOYSA-N 2 2 347.850 2.219 10 0 EEAELP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268070810 1181668754 /nfs/dbraw/zinc/66/87/54/1181668754.db2.gz JSGTZJNBZIXNJX-WBVHZDCISA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001481703102 1182244440 /nfs/dbraw/zinc/24/44/40/1182244440.db2.gz NFMGRRQLLWFEBX-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001481703102 1182244446 /nfs/dbraw/zinc/24/44/46/1182244446.db2.gz NFMGRRQLLWFEBX-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)CC[NH2+]CC[C@@H]3CCCO3)ccn12 ZINC001268364271 1182335798 /nfs/dbraw/zinc/33/57/98/1182335798.db2.gz BXTMGQHBPDMAPR-YOEHRIQHSA-N 2 2 344.459 2.310 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001481752550 1182549296 /nfs/dbraw/zinc/54/92/96/1182549296.db2.gz DVQCMAIKZASJMW-SJLPKXTDSA-N 2 2 348.491 2.136 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)on1 ZINC001481752550 1182549303 /nfs/dbraw/zinc/54/93/03/1182549303.db2.gz DVQCMAIKZASJMW-SJLPKXTDSA-N 2 2 348.491 2.136 10 0 EEAELP CC[C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ncccc1C ZINC001481855770 1182815596 /nfs/dbraw/zinc/81/55/96/1182815596.db2.gz UEXUZTKDILUEBZ-CVEARBPZSA-N 2 2 329.448 2.222 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001268633242 1183560699 /nfs/dbraw/zinc/56/06/99/1183560699.db2.gz KXNDFLLDGREILH-WZHGYECESA-N 2 2 344.846 2.486 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268649105 1183576904 /nfs/dbraw/zinc/57/69/04/1183576904.db2.gz FORWJDIHDIEKMY-ZTFGCOKTSA-N 2 2 340.471 2.413 10 0 EEAELP CCc1ccccc1CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268649105 1183576908 /nfs/dbraw/zinc/57/69/08/1183576908.db2.gz FORWJDIHDIEKMY-ZTFGCOKTSA-N 2 2 340.471 2.413 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268664839 1183595046 /nfs/dbraw/zinc/59/50/46/1183595046.db2.gz KAPQMRHJWRQEKJ-VKFONMJVSA-N 2 2 326.444 2.396 10 0 EEAELP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268664839 1183595048 /nfs/dbraw/zinc/59/50/48/1183595048.db2.gz KAPQMRHJWRQEKJ-VKFONMJVSA-N 2 2 326.444 2.396 10 0 EEAELP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001268843128 1183761160 /nfs/dbraw/zinc/76/11/60/1183761160.db2.gz DMAACZQHBPOJRU-LAQIPUCWSA-N 2 2 330.476 2.240 10 0 EEAELP CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]Cc1cncs1 ZINC001269403697 1184239862 /nfs/dbraw/zinc/23/98/62/1184239862.db2.gz YTWUOPNLYRMDLO-AWEZNQCLSA-N 2 2 343.456 2.397 10 0 EEAELP CC(C)CCC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)CC1 ZINC001269416459 1184251434 /nfs/dbraw/zinc/25/14/34/1184251434.db2.gz ULPBCOFBTLRAEA-KRWDZBQOSA-N 2 2 347.507 2.465 10 0 EEAELP CC(C)CCC[NH2+]C1(CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)CC1 ZINC001269416459 1184251438 /nfs/dbraw/zinc/25/14/38/1184251438.db2.gz ULPBCOFBTLRAEA-KRWDZBQOSA-N 2 2 347.507 2.465 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N1CCC[C@H](CC[NH2+]C/C=C/Cl)C1 ZINC001269752313 1184590357 /nfs/dbraw/zinc/59/03/57/1184590357.db2.gz WAKSRUNVADVCBR-WEJQMCOXSA-N 2 2 338.883 2.324 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]CCc1ccccc1)C1CCCC1 ZINC001270449995 1185105330 /nfs/dbraw/zinc/10/53/30/1185105330.db2.gz PZKUHGWAGLHBOP-SFHVURJKSA-N 2 2 340.471 2.460 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]Cc2ccnc(Cl)c2)CCCC1 ZINC001270798481 1185394539 /nfs/dbraw/zinc/39/45/39/1185394539.db2.gz JBKIYBFMBPWZLN-UHFFFAOYSA-N 2 2 347.850 2.219 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(Cl)n1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001482353740 1185489747 /nfs/dbraw/zinc/48/97/47/1185489747.db2.gz KVPRGLKZINSFQE-GFCCVEGCSA-N 2 2 349.866 2.372 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001482369507 1185533134 /nfs/dbraw/zinc/53/31/34/1185533134.db2.gz MWOZSLNNWCQPHR-ZBFHGGJFSA-N 2 2 348.491 2.363 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001482369507 1185533139 /nfs/dbraw/zinc/53/31/39/1185533139.db2.gz MWOZSLNNWCQPHR-ZBFHGGJFSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)s1 ZINC001482454900 1185867121 /nfs/dbraw/zinc/86/71/21/1185867121.db2.gz GFGIJGSMLSSNGK-HNNXBMFYSA-N 2 2 347.488 2.278 10 0 EEAELP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001271112586 1185899894 /nfs/dbraw/zinc/89/98/94/1185899894.db2.gz IWIRZFXWWUSILV-NUEKZKHPSA-N 2 2 346.500 2.264 10 0 EEAELP COCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001482472649 1186004815 /nfs/dbraw/zinc/00/48/15/1186004815.db2.gz OCVVEULSPUHTQG-ZIAGYGMSSA-N 2 2 330.432 2.040 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccc(Cl)cc1)C(=O)Cc1[nH]cc[nH+]1 ZINC001691527924 1186501825 /nfs/dbraw/zinc/50/18/25/1186501825.db2.gz DGABRUDIEWUFOI-NSCUHMNNSA-N 2 2 332.835 2.367 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1 ZINC001482539111 1186597412 /nfs/dbraw/zinc/59/74/12/1186597412.db2.gz PEJBQEUDRWRFJC-HKUYNNGSSA-N 2 2 340.471 2.376 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)Cc1cccc(C(C)C)n1 ZINC001482613883 1187404759 /nfs/dbraw/zinc/40/47/59/1187404759.db2.gz PNZRZUHNXGFFRH-UHFFFAOYSA-N 2 2 343.475 2.300 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)Cc1cccc(C(C)C)n1 ZINC001482613883 1187404761 /nfs/dbraw/zinc/40/47/61/1187404761.db2.gz PNZRZUHNXGFFRH-UHFFFAOYSA-N 2 2 343.475 2.300 10 0 EEAELP O=C(NCC=CC[NH2+]C[C@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001483024174 1188014651 /nfs/dbraw/zinc/01/46/51/1188014651.db2.gz SOOWKIIRRCZNDO-XYBNCVKDSA-N 2 2 328.416 2.008 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)CC[NH2+]Cc2nc(C)oc2C)c[nH+]1 ZINC001272852960 1193576945 /nfs/dbraw/zinc/57/69/45/1193576945.db2.gz DDVPZVYVHPRXAD-GFCCVEGCSA-N 2 2 347.463 2.216 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001409945046 1193593190 /nfs/dbraw/zinc/59/31/90/1193593190.db2.gz RFXPGJVWNYNULN-CQSZACIVSA-N 2 2 330.476 2.359 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001485947982 1193644990 /nfs/dbraw/zinc/64/49/90/1193644990.db2.gz CYDHIJGHYOEONT-NSHDSACASA-N 2 2 334.386 2.430 10 0 EEAELP CO[C@@H](C)C[NH2+]CC1(NC(=O)C[C@@H](C)n2cc[nH+]c2)CCCCC1 ZINC001409773824 1190269265 /nfs/dbraw/zinc/26/92/65/1190269265.db2.gz DDISPVPKYHEDSP-CVEARBPZSA-N 2 2 336.480 2.278 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001483376164 1190417535 /nfs/dbraw/zinc/41/75/35/1190417535.db2.gz DJHUTMCBOWWHNT-FUHWJXTLSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001483376164 1190417539 /nfs/dbraw/zinc/41/75/39/1190417539.db2.gz DJHUTMCBOWWHNT-FUHWJXTLSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001483376164 1190417542 /nfs/dbraw/zinc/41/75/42/1190417542.db2.gz DJHUTMCBOWWHNT-FUHWJXTLSA-N 2 2 337.508 2.033 10 0 EEAELP CCc1ccc(CC[NH+]2CC(N(C)C(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001483867054 1191098209 /nfs/dbraw/zinc/09/82/09/1191098209.db2.gz QRDUONJTTNVFPF-UHFFFAOYSA-N 2 2 343.515 2.418 10 0 EEAELP C[C@H](CC(=O)N1CC[C@](C)(C[NH2+]CCOC2CCC2)C1)n1cc[nH+]c1 ZINC001484112705 1191213401 /nfs/dbraw/zinc/21/34/01/1191213401.db2.gz BDASOYDMFHRGDZ-VQIMIIECSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1nc(C[NH+]2CC([C@H](C)NC(=O)C(C)(C)[NH+]3CCCC3)C2)oc1C ZINC001409916922 1191334497 /nfs/dbraw/zinc/33/44/97/1191334497.db2.gz MMQNEFRQDJOBAG-AWEZNQCLSA-N 2 2 348.491 2.102 10 0 EEAELP CCC[N@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1CC1=CCCCC1 ZINC001484606918 1191439588 /nfs/dbraw/zinc/43/95/88/1191439588.db2.gz FLHPTSQTNDIFMU-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP CCC[N@@H+](C)CCC(=O)NC[C@H]1COCC[NH+]1CC1=CCCCC1 ZINC001484606918 1191439589 /nfs/dbraw/zinc/43/95/89/1191439589.db2.gz FLHPTSQTNDIFMU-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP CCC[NH+](C)CCC(=O)NC[C@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001484606918 1191439591 /nfs/dbraw/zinc/43/95/91/1191439591.db2.gz FLHPTSQTNDIFMU-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP CCC[NH+](C)CCC(=O)NC[C@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001484606918 1191439592 /nfs/dbraw/zinc/43/95/92/1191439592.db2.gz FLHPTSQTNDIFMU-SFHVURJKSA-N 2 2 337.508 2.036 10 0 EEAELP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCc3[nH+]ccn3C2)CCC1 ZINC001484639718 1191454658 /nfs/dbraw/zinc/45/46/58/1191454658.db2.gz BTXLWINRNMRIKD-CWDCEQMOSA-N 2 2 330.476 2.430 10 0 EEAELP CC(C)CCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001484680523 1191465032 /nfs/dbraw/zinc/46/50/32/1191465032.db2.gz NNBQXDXBCUHDQZ-INIZCTEOSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001484890889 1191563505 /nfs/dbraw/zinc/56/35/05/1191563505.db2.gz ASWXGQQCVPRRQB-SUMWQHHRSA-N 2 2 330.432 2.038 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)o1 ZINC001485166181 1191676675 /nfs/dbraw/zinc/67/66/75/1191676675.db2.gz NSBAZPDVRSHOEB-LSDHHAIUSA-N 2 2 348.491 2.409 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC001485175464 1191677037 /nfs/dbraw/zinc/67/70/37/1191677037.db2.gz DGXMXPOQGAMGBU-CHWSQXEVSA-N 2 2 336.386 2.234 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(C(C)(C)C)on1)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001485175559 1191677084 /nfs/dbraw/zinc/67/70/84/1191677084.db2.gz DSXQOLIJMOZEFA-KGLIPLIRSA-N 2 2 347.463 2.242 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CC1=CCCCC1 ZINC001485321469 1191734458 /nfs/dbraw/zinc/73/44/58/1191734458.db2.gz WXZIMCJTIDUERP-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CC1=CCCCC1 ZINC001485321469 1191734460 /nfs/dbraw/zinc/73/44/60/1191734460.db2.gz WXZIMCJTIDUERP-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)on1 ZINC001485389790 1191775894 /nfs/dbraw/zinc/77/58/94/1191775894.db2.gz VSCRUAGIFVDCPG-NVXWUHKLSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)on1 ZINC001485389790 1191775895 /nfs/dbraw/zinc/77/58/95/1191775895.db2.gz VSCRUAGIFVDCPG-NVXWUHKLSA-N 2 2 336.480 2.040 10 0 EEAELP CC[C@H](F)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485486853 1191809777 /nfs/dbraw/zinc/80/97/77/1191809777.db2.gz YFYMMPIKLSEKFC-RDJZCZTQSA-N 2 2 338.471 2.462 10 0 EEAELP CC[C@H](F)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485486853 1191809779 /nfs/dbraw/zinc/80/97/79/1191809779.db2.gz YFYMMPIKLSEKFC-RDJZCZTQSA-N 2 2 338.471 2.462 10 0 EEAELP CCc1ccc(C[N@H+]2CC=C(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001486517516 1194022788 /nfs/dbraw/zinc/02/27/88/1194022788.db2.gz GXURPZMISVSAFN-UHFFFAOYSA-N 2 2 338.455 2.463 10 0 EEAELP CCc1ccc(C[N@@H+]2CC=C(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cc1 ZINC001486517516 1194022791 /nfs/dbraw/zinc/02/27/91/1194022791.db2.gz GXURPZMISVSAFN-UHFFFAOYSA-N 2 2 338.455 2.463 10 0 EEAELP COC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001486508542 1194024504 /nfs/dbraw/zinc/02/45/04/1194024504.db2.gz ABDQQWIPYXHBJE-FUHWJXTLSA-N 2 2 348.491 2.254 10 0 EEAELP COC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001486508542 1194024507 /nfs/dbraw/zinc/02/45/07/1194024507.db2.gz ABDQQWIPYXHBJE-FUHWJXTLSA-N 2 2 348.491 2.254 10 0 EEAELP CC[C@@H](F)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001410226693 1197618447 /nfs/dbraw/zinc/61/84/47/1197618447.db2.gz YCUZHLFLLBTUIW-BZUAXINKSA-N 2 2 346.450 2.418 10 0 EEAELP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001410243517 1197629000 /nfs/dbraw/zinc/62/90/00/1197629000.db2.gz WNFLMHPFATXIDH-CABCVRRESA-N 2 2 336.455 2.116 10 0 EEAELP CC[C@H](F)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001410243517 1197629002 /nfs/dbraw/zinc/62/90/02/1197629002.db2.gz WNFLMHPFATXIDH-CABCVRRESA-N 2 2 336.455 2.116 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001410528276 1198088528 /nfs/dbraw/zinc/08/85/28/1198088528.db2.gz JGSZWAYKJIUXGB-HNNXBMFYSA-N 2 2 326.444 2.009 10 0 EEAELP c1ccc(N2CC[NH+](CCC[NH2+][C@]34CCC[C@H]3OCC4)CC2)cc1 ZINC000872316766 1198143743 /nfs/dbraw/zinc/14/37/43/1198143743.db2.gz USGPIGUVLVEFMZ-UXHICEINSA-N 2 2 329.488 2.500 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000870926916 1200961253 /nfs/dbraw/zinc/96/12/53/1200961253.db2.gz HPSLPDZMPGYRBK-HDIHMHJESA-N 2 2 329.366 2.093 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000870926916 1200961258 /nfs/dbraw/zinc/96/12/58/1200961258.db2.gz HPSLPDZMPGYRBK-HDIHMHJESA-N 2 2 329.366 2.093 10 0 EEAELP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000870990391 1200993179 /nfs/dbraw/zinc/99/31/79/1200993179.db2.gz XVWCFTIPDXMWON-GOSISDBHSA-N 2 2 327.432 2.104 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001691732166 1204239031 /nfs/dbraw/zinc/23/90/31/1204239031.db2.gz JTXSRHCKTGSTOH-GUYCJALGSA-N 2 2 345.447 2.056 10 0 EEAELP CC(C)CC[NH2+]CC1(O)CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001274528708 1205069563 /nfs/dbraw/zinc/06/95/63/1205069563.db2.gz OZOJIQGNGDVKHA-UHFFFAOYSA-N 2 2 344.459 2.166 10 0 EEAELP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275100477 1205255697 /nfs/dbraw/zinc/25/56/97/1205255697.db2.gz LPOFVILTIYDWNH-OALUTQOASA-N 2 2 349.519 2.130 10 0 EEAELP C[N@@H+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001275100477 1205255698 /nfs/dbraw/zinc/25/56/98/1205255698.db2.gz LPOFVILTIYDWNH-OALUTQOASA-N 2 2 349.519 2.130 10 0 EEAELP C[NH+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001275100477 1205255702 /nfs/dbraw/zinc/25/57/02/1205255702.db2.gz LPOFVILTIYDWNH-OALUTQOASA-N 2 2 349.519 2.130 10 0 EEAELP C[NH+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001275100477 1205255703 /nfs/dbraw/zinc/25/57/03/1205255703.db2.gz LPOFVILTIYDWNH-OALUTQOASA-N 2 2 349.519 2.130 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001275526455 1205396301 /nfs/dbraw/zinc/39/63/01/1205396301.db2.gz GFVWYIAMUIXEJN-CHWSQXEVSA-N 2 2 325.416 2.117 10 0 EEAELP C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[C@H]3c3c[nH]c[nH+]3)n2)ccn1 ZINC000923944848 1205927729 /nfs/dbraw/zinc/92/77/29/1205927729.db2.gz MXBOKHGCYIHFCO-CHWSQXEVSA-N 2 2 340.387 2.066 10 0 EEAELP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C[N@@H+]1CCc2ccccc2C1 ZINC000924643537 1206009570 /nfs/dbraw/zinc/00/95/70/1206009570.db2.gz OPYKCJKLHBWANW-NJDAHSKKSA-N 2 2 344.499 2.200 10 0 EEAELP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1)C[N@H+]1CCc2ccccc2C1 ZINC000924643537 1206009573 /nfs/dbraw/zinc/00/95/73/1206009573.db2.gz OPYKCJKLHBWANW-NJDAHSKKSA-N 2 2 344.499 2.200 10 0 EEAELP c1cc(C[NH2+][C@H]2[C@@H]3[NH2+]C[C@@H]4C[C@H]2C[C@@H]43)cc(COC2CCOCC2)c1 ZINC000925478105 1206117447 /nfs/dbraw/zinc/11/74/47/1206117447.db2.gz MFPMHFJPXMMRCU-SQEGATDGSA-N 2 2 342.483 2.468 10 0 EEAELP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CCN(OCc3ccccc3)CC1)C2 ZINC000926450983 1206221376 /nfs/dbraw/zinc/22/13/76/1206221376.db2.gz UKCQPOIGTPRHBP-QGZVFWFLSA-N 2 2 326.444 2.453 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@H+](C)[C@H]3C)c2)cc[nH+]1 ZINC000928436564 1206383452 /nfs/dbraw/zinc/38/34/52/1206383452.db2.gz JNPGHYNTRMTQIM-GUYCJALGSA-N 2 2 339.443 2.220 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@H]3CC[N@@H+](C)[C@H]3C)c2)cc[nH+]1 ZINC000928436564 1206383454 /nfs/dbraw/zinc/38/34/54/1206383454.db2.gz JNPGHYNTRMTQIM-GUYCJALGSA-N 2 2 339.443 2.220 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@H+](C)[C@@H]3C)c2)cc[nH+]1 ZINC000928436554 1206383893 /nfs/dbraw/zinc/38/38/93/1206383893.db2.gz JNPGHYNTRMTQIM-CXAGYDPISA-N 2 2 339.443 2.220 10 0 EEAELP Cc1nc(NCc2cccc(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)cc[nH+]1 ZINC000928436554 1206383895 /nfs/dbraw/zinc/38/38/95/1206383895.db2.gz JNPGHYNTRMTQIM-CXAGYDPISA-N 2 2 339.443 2.220 10 0 EEAELP C[C@]12C[NH+](CCN3CCOCC3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931214246 1206616299 /nfs/dbraw/zinc/61/62/99/1206616299.db2.gz INLIEBLGVMANID-NHCUHLMSSA-N 2 2 343.515 2.163 10 0 EEAELP C[C@@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[NH+](C[C@@H]1CCC(=O)N1)C2 ZINC000931226293 1206617565 /nfs/dbraw/zinc/61/75/65/1206617565.db2.gz YJNNITGSUVIKRO-IHPCNDPISA-N 2 2 327.472 2.109 10 0 EEAELP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931512674 1207401796 /nfs/dbraw/zinc/40/17/96/1207401796.db2.gz QVHVGKKQXUGRSL-HNNXBMFYSA-N 2 2 327.428 2.079 10 0 EEAELP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCc3[nH+]ccc(N)c3C2)c1 ZINC000931512674 1207401799 /nfs/dbraw/zinc/40/17/99/1207401799.db2.gz QVHVGKKQXUGRSL-HNNXBMFYSA-N 2 2 327.428 2.079 10 0 EEAELP CN(C)c1cccc(CN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)[nH+]1 ZINC001413034739 1216938435 /nfs/dbraw/zinc/93/84/35/1216938435.db2.gz IWZHIRNOILWZHC-QGZVFWFLSA-N 2 2 332.492 2.223 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001491030591 1258588275 /nfs/dbraw/zinc/58/82/75/1258588275.db2.gz ZZZGVLURLTWTTQ-IYBDPMFKSA-N 2 2 342.443 2.230 10 0 EEAELP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)Cc2cscn2)c1 ZINC001490282053 1291114313 /nfs/dbraw/zinc/11/43/13/1291114313.db2.gz QROZHJOIGKVSMR-UHFFFAOYSA-N 2 2 346.500 2.457 10 0 EEAELP C[NH+](C)Cc1cccc(C(=O)NCCC[N@@H+](C)Cc2cscn2)c1 ZINC001490282053 1291114324 /nfs/dbraw/zinc/11/43/24/1291114324.db2.gz QROZHJOIGKVSMR-UHFFFAOYSA-N 2 2 346.500 2.457 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C)on3)C2)ccn1 ZINC000856548355 1293561946 /nfs/dbraw/zinc/56/19/46/1293561946.db2.gz IVPNWCBYTRKXFX-GOSISDBHSA-N 2 2 330.432 2.483 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C)on3)C2)ccn1 ZINC000856548355 1293561951 /nfs/dbraw/zinc/56/19/51/1293561951.db2.gz IVPNWCBYTRKXFX-GOSISDBHSA-N 2 2 330.432 2.483 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cc(C)on3)C2)ccn1 ZINC000856548355 1293561955 /nfs/dbraw/zinc/56/19/55/1293561955.db2.gz IVPNWCBYTRKXFX-GOSISDBHSA-N 2 2 330.432 2.483 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cc(C)on3)C2)ccn1 ZINC000856548355 1293561961 /nfs/dbraw/zinc/56/19/61/1293561961.db2.gz IVPNWCBYTRKXFX-GOSISDBHSA-N 2 2 330.432 2.483 10 0 EEAELP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4c[nH]nc43)CC2)nc(C)[nH+]1 ZINC000857855918 1293932165 /nfs/dbraw/zinc/93/21/65/1293932165.db2.gz AYCWKJZHFJZTKZ-MRXNPFEDSA-N 2 2 326.448 2.453 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC1CC1 ZINC000858126838 1294014974 /nfs/dbraw/zinc/01/49/74/1294014974.db2.gz LDDRQUNDEJSJIC-WBVHZDCISA-N 2 2 332.444 2.189 10 0 EEAELP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OC1CC1 ZINC000858126838 1294014980 /nfs/dbraw/zinc/01/49/80/1294014980.db2.gz LDDRQUNDEJSJIC-WBVHZDCISA-N 2 2 332.444 2.189 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)C[C@@H](C)[NH3+])c(C)c1 ZINC000861614422 1295477271 /nfs/dbraw/zinc/47/72/71/1295477271.db2.gz KCEYYEJQZSLHDD-NVXWUHKLSA-N 2 2 329.448 2.230 10 0 EEAELP CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000862295095 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EEAELP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001266169512 1323739353 /nfs/dbraw/zinc/73/93/53/1323739353.db2.gz BEGLKEOHTKFAFW-SJLPKXTDSA-N 2 2 337.508 2.080 10 0 EEAELP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001266169512 1323739358 /nfs/dbraw/zinc/73/93/58/1323739358.db2.gz BEGLKEOHTKFAFW-SJLPKXTDSA-N 2 2 337.508 2.080 10 0 EEAELP COCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001279235985 1323855002 /nfs/dbraw/zinc/85/50/02/1323855002.db2.gz ALGVNDQBRJZTSU-FJIDUMEYSA-N 2 2 348.491 2.230 10 0 EEAELP COCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C2 ZINC001279235985 1323855009 /nfs/dbraw/zinc/85/50/09/1323855009.db2.gz ALGVNDQBRJZTSU-FJIDUMEYSA-N 2 2 348.491 2.230 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)CCCn3cc[nH+]c3)C[C@H]2C1 ZINC001279416071 1323901142 /nfs/dbraw/zinc/90/11/42/1323901142.db2.gz LAKPYEVIULODJZ-GEWVGOBGSA-N 2 2 330.476 2.410 10 0 EEAELP 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Cc1cn(C(C)(C)C(=O)NCCC[N@H+](C)Cc2ncccc2C)c[nH+]1 ZINC001660190760 1354413428 /nfs/dbraw/zinc/41/34/28/1354413428.db2.gz SISDPCPIDDICIF-UHFFFAOYSA-N 2 2 343.475 2.268 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH+]cn1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001660614155 1354502153 /nfs/dbraw/zinc/50/21/53/1354502153.db2.gz PNSLDOUVWFULPX-ZACQAIPSSA-N 2 2 332.492 2.227 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH+]cn1C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001660614155 1354502156 /nfs/dbraw/zinc/50/21/56/1354502156.db2.gz PNSLDOUVWFULPX-ZACQAIPSSA-N 2 2 332.492 2.227 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2C[N@H+](CCCCCF)CC[C@@H]21 ZINC001661556481 1354658060 /nfs/dbraw/zinc/65/80/60/1354658060.db2.gz VDGWOUOCOLMANU-SJORKVTESA-N 2 2 336.455 2.336 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]21 ZINC001661556481 1354658066 /nfs/dbraw/zinc/65/80/66/1354658066.db2.gz VDGWOUOCOLMANU-SJORKVTESA-N 2 2 336.455 2.336 10 0 EEAELP CN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001664309078 1355135463 /nfs/dbraw/zinc/13/54/63/1355135463.db2.gz FBLMSBHEHZLYRD-UHFFFAOYSA-N 2 2 336.386 2.214 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCCCCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001665061684 1355271250 /nfs/dbraw/zinc/27/12/50/1355271250.db2.gz RXKBRLICCKKZGA-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCCCCF)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001665061684 1355271254 /nfs/dbraw/zinc/27/12/54/1355271254.db2.gz RXKBRLICCKKZGA-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP CCc1nocc1C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001667295643 1355700506 /nfs/dbraw/zinc/70/05/06/1355700506.db2.gz DWFPXXMDDSVVIL-OAHLLOKOSA-N 2 2 345.447 2.064 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001668112739 1355874576 /nfs/dbraw/zinc/87/45/76/1355874576.db2.gz KLVYDIWCYHLEPZ-GOEBONIOSA-N 2 2 344.434 2.269 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C/CNC(=O)C2([NH+](C)C)CCC2)o1 ZINC001668865554 1356028584 /nfs/dbraw/zinc/02/85/84/1356028584.db2.gz ZVOWCPQQRBJLIF-AATRIKPKSA-N 2 2 334.464 2.044 10 0 EEAELP CC(C)c1cnc(C[NH2+]C/C=C\CNC(=O)CC2CC[NH+](C)CC2)o1 ZINC001669075589 1356085993 /nfs/dbraw/zinc/08/59/93/1356085993.db2.gz UZMGQTJRVVBJJS-PLNGDYQASA-N 2 2 348.491 2.292 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)co1 ZINC001669075766 1356086197 /nfs/dbraw/zinc/08/61/97/1356086197.db2.gz XQIQQJZSMOZGAI-RTRPANQVSA-N 2 2 334.464 2.008 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)co1 ZINC001669075766 1356086200 /nfs/dbraw/zinc/08/62/00/1356086200.db2.gz XQIQQJZSMOZGAI-RTRPANQVSA-N 2 2 334.464 2.008 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CC2=CCCCC2)CCOCC1 ZINC001671952444 1356443459 /nfs/dbraw/zinc/44/34/59/1356443459.db2.gz OIRWAJHFKGUHAR-UHFFFAOYSA-N 2 2 346.475 2.016 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)on1 ZINC001672876367 1356604867 /nfs/dbraw/zinc/60/48/67/1356604867.db2.gz ZTRSGNXFWBRVJM-JKSUJKDBSA-N 2 2 345.447 2.159 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[C@H](C[NH2+]C/C=C/Cl)CC1 ZINC001672991316 1356628143 /nfs/dbraw/zinc/62/81/43/1356628143.db2.gz XCENRSOLQQWFND-NPVJLGQJSA-N 2 2 338.883 2.370 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001674142171 1356796765 /nfs/dbraw/zinc/79/67/65/1356796765.db2.gz ORKQUYJOSYZRGT-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C[C@@H]1C ZINC001674142171 1356796766 /nfs/dbraw/zinc/79/67/66/1356796766.db2.gz ORKQUYJOSYZRGT-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP CC(C)OCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C[C@H]1C ZINC001698891197 1405134141 /nfs/dbraw/zinc/13/41/41/1405134141.db2.gz LPELEVGYURLUOS-HZPDHXFCSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001698972207 1405194506 /nfs/dbraw/zinc/19/45/06/1405194506.db2.gz PXIUNKWFAMQLSH-STQMWFEESA-N 2 2 345.274 2.419 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001699030765 1405242690 /nfs/dbraw/zinc/24/26/90/1405242690.db2.gz VEBGXHUFAQFMED-STQMWFEESA-N 2 2 345.274 2.467 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@](C)(C[NH2+]CC=C(Cl)Cl)C1 ZINC001699853042 1405528428 /nfs/dbraw/zinc/52/84/28/1405528428.db2.gz DPXRJCLBGVBYPC-HNNXBMFYSA-N 2 2 345.274 2.408 10 0 EEAELP C[NH+]1CCC(CNC(=O)C2(C(F)F)CC2)([NH+]2CCCCC2)CC1 ZINC000843555423 759396459 /nfs/dbraw/zinc/39/64/59/759396459.db2.gz FGCCVFSMVQCAJW-UHFFFAOYSA-N 2 2 329.435 2.098 10 0 EEAELP COc1cccc(N2CC[NH+](CCSCCn3cc[nH+]c3)CC2)c1 ZINC000918737219 769359612 /nfs/dbraw/zinc/35/96/12/769359612.db2.gz FNDJULBJGXQUDM-UHFFFAOYSA-N 2 2 346.500 2.447 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(N2CCCCC2=O)cc1 ZINC000817892451 785048804 /nfs/dbraw/zinc/04/88/04/785048804.db2.gz ACHBVWYPWUVMIV-WBVHZDCISA-N 2 2 331.460 2.060 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000819184220 785453426 /nfs/dbraw/zinc/45/34/26/785453426.db2.gz WZBWRWGLAKRCKG-KUHUBIRLSA-N 2 2 344.434 2.464 10 0 EEAELP C[N@@H+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC12CCCCC2 ZINC000908573875 785539894 /nfs/dbraw/zinc/53/98/94/785539894.db2.gz ASAFKOUNTRKMMR-UHFFFAOYSA-N 2 2 330.476 2.239 10 0 EEAELP C[N@H+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)CC12CCCCC2 ZINC000908573875 785539909 /nfs/dbraw/zinc/53/99/09/785539909.db2.gz ASAFKOUNTRKMMR-UHFFFAOYSA-N 2 2 330.476 2.239 10 0 EEAELP COC[C@@](C)(O)CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000824559358 788214998 /nfs/dbraw/zinc/21/49/98/788214998.db2.gz QNLIXYAFSRVHBZ-IBGZPJMESA-N 2 2 335.492 2.099 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000923392620 789480952 /nfs/dbraw/zinc/48/09/52/789480952.db2.gz KGVLSHZNZFCESW-WUJZJPHMSA-N 2 2 334.460 2.028 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[N@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000923392620 789480956 /nfs/dbraw/zinc/48/09/56/789480956.db2.gz KGVLSHZNZFCESW-WUJZJPHMSA-N 2 2 334.460 2.028 10 0 EEAELP O=C(NCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1c(F)cccc1F ZINC000925394761 793933836 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346.471 2.303 10 0 EEAELP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccnc1 ZINC000922631273 801548187 /nfs/dbraw/zinc/54/81/87/801548187.db2.gz UTZSLLNRKJIPDH-MSOLQXFVSA-N 2 2 333.476 2.392 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC001566075652 1125548353 /nfs/dbraw/zinc/54/83/53/1125548353.db2.gz UZBRNSUKTWDLHJ-KRWDZBQOSA-N 2 2 348.491 2.130 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001436420468 1087780747 /nfs/dbraw/zinc/78/07/47/1087780747.db2.gz GRYUNRZHTLVHOA-DOTOQJQBSA-N 2 2 344.434 2.474 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001437316170 1089476684 /nfs/dbraw/zinc/47/66/84/1089476684.db2.gz WOZSZIAPMJVPNR-IAGOWNOFSA-N 2 2 332.492 2.320 10 0 EEAELP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001437394223 1089648498 /nfs/dbraw/zinc/64/84/98/1089648498.db2.gz CUGSDHBEVKZJRB-HUUCEWRRSA-N 2 2 344.459 2.247 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1Cc1cncs1)[NH+]1CCCC1 ZINC001437670284 1090198721 /nfs/dbraw/zinc/19/87/21/1090198721.db2.gz XTNKRGVYLKTSJW-CQSZACIVSA-N 2 2 336.505 2.098 10 0 EEAELP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1Cc1cncs1)[NH+]1CCCC1 ZINC001437670284 1090198725 /nfs/dbraw/zinc/19/87/25/1090198725.db2.gz XTNKRGVYLKTSJW-CQSZACIVSA-N 2 2 336.505 2.098 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@@H+](C[C@H]2CC[C@H](C)O2)C2CC2)c[nH+]1 ZINC001437795618 1090381154 /nfs/dbraw/zinc/38/11/54/1090381154.db2.gz SRYKPDUEJIUYBR-DOTOQJQBSA-N 2 2 348.491 2.075 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[N@H+](C[C@H]2CC[C@H](C)O2)C2CC2)c[nH+]1 ZINC001437795618 1090381161 /nfs/dbraw/zinc/38/11/61/1090381161.db2.gz SRYKPDUEJIUYBR-DOTOQJQBSA-N 2 2 348.491 2.075 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001437907488 1090488605 /nfs/dbraw/zinc/48/86/05/1090488605.db2.gz STUNGEYVCCBJND-GOSISDBHSA-N 2 2 341.459 2.100 10 0 EEAELP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CC[N@@H+](Cc2ccccn2)C1 ZINC001437907488 1090488609 /nfs/dbraw/zinc/48/86/09/1090488609.db2.gz STUNGEYVCCBJND-GOSISDBHSA-N 2 2 341.459 2.100 10 0 EEAELP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cc(C)ccc1F ZINC001438182960 1090686219 /nfs/dbraw/zinc/68/62/19/1090686219.db2.gz XKIAUAXACPXTAL-IRXDYDNUSA-N 2 2 333.451 2.261 10 0 EEAELP CC[N@@H+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2Cc1cc(C)ccc1F ZINC001438182960 1090686225 /nfs/dbraw/zinc/68/62/25/1090686225.db2.gz XKIAUAXACPXTAL-IRXDYDNUSA-N 2 2 333.451 2.261 10 0 EEAELP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(C)ccc1F ZINC001438182960 1090686228 /nfs/dbraw/zinc/68/62/28/1090686228.db2.gz XKIAUAXACPXTAL-IRXDYDNUSA-N 2 2 333.451 2.261 10 0 EEAELP CC[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cc(C)ccc1F ZINC001438182960 1090686230 /nfs/dbraw/zinc/68/62/30/1090686230.db2.gz XKIAUAXACPXTAL-IRXDYDNUSA-N 2 2 333.451 2.261 10 0 EEAELP CCc1onc(C)c1C[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCCC1 ZINC001438395431 1090882752 /nfs/dbraw/zinc/88/27/52/1090882752.db2.gz MFBCZJUMVMJFFU-UHFFFAOYSA-N 2 2 345.447 2.030 10 0 EEAELP C[C@@H](C[NH2+]C/C(Cl)=C\Cl)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001438688267 1091189478 /nfs/dbraw/zinc/18/94/78/1091189478.db2.gz IYZAHZIZLHWVKS-BAWWGRHDSA-N 2 2 345.274 2.279 10 0 EEAELP C[C@H](C[NH2+]CC1CCC(F)(F)CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001438711746 1091228996 /nfs/dbraw/zinc/22/89/96/1091228996.db2.gz DJCDSKHODHSJSI-CYBMUJFWSA-N 2 2 328.407 2.145 10 0 EEAELP Cc1cc(C[NH2+][C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C(C)C)on1 ZINC001438803733 1091412212 /nfs/dbraw/zinc/41/22/12/1091412212.db2.gz AFIZRWPFRSQNRD-MRXNPFEDSA-N 2 2 347.463 2.154 10 0 EEAELP C[C@H](C[N@H+](C)CC=C(Cl)Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445760322 1091607428 /nfs/dbraw/zinc/60/74/28/1091607428.db2.gz WCBOSGCILZBLCA-YPMHNXCESA-N 2 2 334.291 2.084 10 0 EEAELP C[C@H](C[N@@H+](C)CC=C(Cl)Cl)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445760322 1091607435 /nfs/dbraw/zinc/60/74/35/1091607435.db2.gz WCBOSGCILZBLCA-YPMHNXCESA-N 2 2 334.291 2.084 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001439131375 1091776968 /nfs/dbraw/zinc/77/69/68/1091776968.db2.gz UZDHNEHUIPULOH-NVXWUHKLSA-N 2 2 326.444 2.048 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439483673 1092288921 /nfs/dbraw/zinc/28/89/21/1092288921.db2.gz AAHPDJBGZRAUTK-MLGOLLRUSA-N 2 2 332.473 2.334 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C[NH2+]Cc1ccsc1)C1CC1 ZINC001439483673 1092288930 /nfs/dbraw/zinc/28/89/30/1092288930.db2.gz AAHPDJBGZRAUTK-MLGOLLRUSA-N 2 2 332.473 2.334 10 0 EEAELP C[C@@H]([NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1)C1CC1)c1cc(F)ccc1F ZINC001439499455 1092332272 /nfs/dbraw/zinc/33/22/72/1092332272.db2.gz RCKUEVFWEZEJSV-PXAZEXFGSA-N 2 2 348.397 2.407 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CC[C@@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001439546267 1092415667 /nfs/dbraw/zinc/41/56/67/1092415667.db2.gz KFWNGXCRVVYCAR-KBXCAEBGSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001439546267 1092415670 /nfs/dbraw/zinc/41/56/70/1092415670.db2.gz KFWNGXCRVVYCAR-KBXCAEBGSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001439546267 1092415676 /nfs/dbraw/zinc/41/56/76/1092415676.db2.gz KFWNGXCRVVYCAR-KBXCAEBGSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001439546267 1092415677 /nfs/dbraw/zinc/41/56/77/1092415677.db2.gz KFWNGXCRVVYCAR-KBXCAEBGSA-N 2 2 333.451 2.166 10 0 EEAELP COCC[N@H+](CC1CCC1)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001439697220 1092650055 /nfs/dbraw/zinc/65/00/55/1092650055.db2.gz XRRVJMPVTYGWKC-UHFFFAOYSA-N 2 2 348.491 2.000 10 0 EEAELP COCC[N@@H+](CC1CCC1)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001439697220 1092650058 /nfs/dbraw/zinc/65/00/58/1092650058.db2.gz XRRVJMPVTYGWKC-UHFFFAOYSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1cccc(OCC[NH+]2CC(N(C)C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC001439724877 1092687932 /nfs/dbraw/zinc/68/79/32/1092687932.db2.gz OGVQXTMNPBAZQB-UHFFFAOYSA-N 2 2 345.487 2.001 10 0 EEAELP Cc1cccc(OCC[NH+]2CC(N(C)C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC001439724877 1092687939 /nfs/dbraw/zinc/68/79/39/1092687939.db2.gz OGVQXTMNPBAZQB-UHFFFAOYSA-N 2 2 345.487 2.001 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C(Cl)=C\Cl ZINC001440190321 1093254092 /nfs/dbraw/zinc/25/40/92/1093254092.db2.gz JDWCCZURVHYSKX-GVZVPMNBSA-N 2 2 334.291 2.322 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C(Cl)=C\Cl ZINC001440190321 1093254105 /nfs/dbraw/zinc/25/41/05/1093254105.db2.gz JDWCCZURVHYSKX-GVZVPMNBSA-N 2 2 334.291 2.322 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)N1C[C@]2(C)C[N@H+](CCF)C[C@]2(C)C1 ZINC001448478941 1093498966 /nfs/dbraw/zinc/49/89/66/1093498966.db2.gz BTMKMTTZPWFNCK-HDICACEKSA-N 2 2 336.455 2.112 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)N1C[C@]2(C)C[N@@H+](CCF)C[C@]2(C)C1 ZINC001448478941 1093498968 /nfs/dbraw/zinc/49/89/68/1093498968.db2.gz BTMKMTTZPWFNCK-HDICACEKSA-N 2 2 336.455 2.112 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)c(C)n1 ZINC001448500545 1093527228 /nfs/dbraw/zinc/52/72/28/1093527228.db2.gz IVKGKMOGPSNWIB-RZDIXWSQSA-N 2 2 341.459 2.039 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)c(C)n1 ZINC001448500545 1093527233 /nfs/dbraw/zinc/52/72/33/1093527233.db2.gz IVKGKMOGPSNWIB-RZDIXWSQSA-N 2 2 341.459 2.039 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)[C@H]2C)cc1 ZINC001440491141 1093727978 /nfs/dbraw/zinc/72/79/78/1093727978.db2.gz SDCWVPVSOLUBOT-AEFFLSMTSA-N 2 2 340.471 2.440 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCc3[nH+]ccn3C)[C@H]2C)cc1 ZINC001440491141 1093727984 /nfs/dbraw/zinc/72/79/84/1093727984.db2.gz SDCWVPVSOLUBOT-AEFFLSMTSA-N 2 2 340.471 2.440 10 0 EEAELP C[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](CCF)CC1(C)C)c1ccccc1 ZINC001440622435 1093890841 /nfs/dbraw/zinc/89/08/41/1093890841.db2.gz OERNAYZVKVFVCA-IRXDYDNUSA-N 2 2 335.467 2.476 10 0 EEAELP C[C@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]CC=C(Cl)Cl ZINC001440807145 1094053907 /nfs/dbraw/zinc/05/39/07/1094053907.db2.gz DKCYSKAEDKXTGN-QWRGUYRKSA-N 2 2 333.263 2.155 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCc2[nH+]ccn2C)cc1 ZINC001440811893 1094062364 /nfs/dbraw/zinc/06/23/64/1094062364.db2.gz MMRDKAIBPVVZAF-CVEARBPZSA-N 2 2 328.460 2.344 10 0 EEAELP C[C@@H]([NH2+]CCc1ccns1)[C@H]1CCCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001440999242 1094270816 /nfs/dbraw/zinc/27/08/16/1094270816.db2.gz VRMSTSOIWGMPLE-UKRRQHHQSA-N 2 2 347.488 2.011 10 0 EEAELP Cc1cncc(C[NH+]2CCC([C@@H](C)NC(=O)Cc3c[nH]c[nH+]3)CC2)c1 ZINC001449349323 1094306334 /nfs/dbraw/zinc/30/63/34/1094306334.db2.gz BLJYQOZWFFYSCL-OAHLLOKOSA-N 2 2 341.459 2.073 10 0 EEAELP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1cccnc1 ZINC001441035932 1094330134 /nfs/dbraw/zinc/33/01/34/1094330134.db2.gz LUTZHBAPYIKLMX-VQIMIIECSA-N 2 2 340.471 2.321 10 0 EEAELP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1cccnc1 ZINC001441035932 1094330138 /nfs/dbraw/zinc/33/01/38/1094330138.db2.gz LUTZHBAPYIKLMX-VQIMIIECSA-N 2 2 340.471 2.321 10 0 EEAELP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001441285675 1094707925 /nfs/dbraw/zinc/70/79/25/1094707925.db2.gz CUWLIYQQJUNPNN-FJIDUMEYSA-N 2 2 338.455 2.398 10 0 EEAELP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3[nH]cc[nH+]3)[C@@H]2C1 ZINC001441285675 1094707939 /nfs/dbraw/zinc/70/79/39/1094707939.db2.gz CUWLIYQQJUNPNN-FJIDUMEYSA-N 2 2 338.455 2.398 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001441543080 1095264391 /nfs/dbraw/zinc/26/43/91/1095264391.db2.gz YJJWTWGNGOTVOI-HOCLYGCPSA-N 2 2 347.463 2.403 10 0 EEAELP C[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CC1CC2(CCC2)C1 ZINC001441850248 1095934511 /nfs/dbraw/zinc/93/45/11/1095934511.db2.gz ARKDNYBLVMCMJK-OAHLLOKOSA-N 2 2 344.503 2.437 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C2CC(N(C)C(=O)CCn3cc[nH+]c3)C2)c1 ZINC001442237076 1096536740 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2 338.455 2.253 10 0 EEAELP CC(C)C[NH2+]C[C@@](C)(NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001495247560 1100943466 /nfs/dbraw/zinc/94/34/66/1100943466.db2.gz DQTICXYFJPSQGY-LJQANCHMSA-N 2 2 332.492 2.292 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC001446542267 1101003350 /nfs/dbraw/zinc/00/33/50/1101003350.db2.gz TYXLHCKVCVIHLT-GOSISDBHSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC001446542267 1101003359 /nfs/dbraw/zinc/00/33/59/1101003359.db2.gz TYXLHCKVCVIHLT-GOSISDBHSA-N 2 2 348.397 2.251 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001495303566 1101004597 /nfs/dbraw/zinc/00/45/97/1101004597.db2.gz PWSSUXGSXLVPOJ-LJQANCHMSA-N 2 2 344.434 2.405 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)sc1C ZINC001495680845 1101425639 /nfs/dbraw/zinc/42/56/39/1101425639.db2.gz DFSGONILZJQGMJ-ZLKJLUDKSA-N 2 2 347.488 2.129 10 0 EEAELP 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CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC001493966145 1103214697 /nfs/dbraw/zinc/21/46/97/1103214697.db2.gz AYGJUCJJAUUDGG-ROUUACIJSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)c(C)o1 ZINC001447777604 1103306429 /nfs/dbraw/zinc/30/64/29/1103306429.db2.gz WSXUIIMHGQDOAM-INIZCTEOSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@@H]2CCCN2C(=O)C2(C[NH+](C)C)CC2)c(C)o1 ZINC001447777604 1103306443 /nfs/dbraw/zinc/30/64/43/1103306443.db2.gz WSXUIIMHGQDOAM-INIZCTEOSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC[C@@H]1CCOC1 ZINC001447787405 1103343171 /nfs/dbraw/zinc/34/31/71/1103343171.db2.gz XILPDKXTRKMAGS-IAGOWNOFSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC[C@@H]1CCOC1 ZINC001447787405 1103343185 /nfs/dbraw/zinc/34/31/85/1103343185.db2.gz XILPDKXTRKMAGS-IAGOWNOFSA-N 2 2 348.491 2.000 10 0 EEAELP C[NH+](C)CCC(=O)NCC1C[NH+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001494591618 1104179241 /nfs/dbraw/zinc/17/92/41/1104179241.db2.gz VSTWPYHUUWMCTM-UHFFFAOYSA-N 2 2 344.286 2.493 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccccc1C(F)(F)F ZINC001480605553 1106758897 /nfs/dbraw/zinc/75/88/97/1106758897.db2.gz YCHWLVAKYMYTNQ-GFCCVEGCSA-N 2 2 340.349 2.196 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1 ZINC001480672185 1106856444 /nfs/dbraw/zinc/85/64/44/1106856444.db2.gz USPIRVYWJXIZEE-SFHVURJKSA-N 2 2 340.471 2.195 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccsc1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498063024 1106869821 /nfs/dbraw/zinc/86/98/21/1106869821.db2.gz XDDHRSCSCCRGTM-HOCLYGCPSA-N 2 2 346.500 2.234 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001498380831 1107424594 /nfs/dbraw/zinc/42/45/94/1107424594.db2.gz KLVYNRZUBGGKEJ-ZIAGYGMSSA-N 2 2 340.443 2.069 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001498380831 1107424599 /nfs/dbraw/zinc/42/45/99/1107424599.db2.gz KLVYNRZUBGGKEJ-ZIAGYGMSSA-N 2 2 340.443 2.069 10 0 EEAELP CC/C=C\CC[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001493386041 1108043097 /nfs/dbraw/zinc/04/30/97/1108043097.db2.gz XSGSACPIUYNEHU-QGZUEGPWSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001493386041 1108043112 /nfs/dbraw/zinc/04/31/12/1108043112.db2.gz XSGSACPIUYNEHU-QGZUEGPWSA-N 2 2 330.476 2.382 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1OC1CC1)[NH+](C)C ZINC001499005307 1108445211 /nfs/dbraw/zinc/44/52/11/1108445211.db2.gz MGABRSIAJYWPKD-SJLPKXTDSA-N 2 2 345.487 2.259 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1OC1CC1)[NH+](C)C ZINC001499005307 1108445213 /nfs/dbraw/zinc/44/52/13/1108445213.db2.gz MGABRSIAJYWPKD-SJLPKXTDSA-N 2 2 345.487 2.259 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C(C)C)sc1C ZINC001493711899 1108549285 /nfs/dbraw/zinc/54/92/85/1108549285.db2.gz BAYRVULNPBTINT-UHFFFAOYSA-N 2 2 349.504 2.328 10 0 EEAELP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001493832928 1108715807 /nfs/dbraw/zinc/71/58/07/1108715807.db2.gz UBZVDSNGTZJTQV-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001479223914 1110662352 /nfs/dbraw/zinc/66/23/52/1110662352.db2.gz FTVICJXIBZVICU-OSNZYPHYSA-N 2 2 330.476 2.335 10 0 EEAELP C[C@H](F)CC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001500614436 1112977871 /nfs/dbraw/zinc/97/78/71/1112977871.db2.gz VTMPYOHIYJSIDF-UONOGXRCSA-N 2 2 346.397 2.095 10 0 EEAELP C[C@H](F)CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001500614436 1112977872 /nfs/dbraw/zinc/97/78/72/1112977872.db2.gz VTMPYOHIYJSIDF-UONOGXRCSA-N 2 2 346.397 2.095 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C)[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001501149766 1113215646 /nfs/dbraw/zinc/21/56/46/1113215646.db2.gz GWKXGGFODYEGRL-QFQWBDEESA-N 2 2 345.274 2.264 10 0 EEAELP CCc1ccccc1CC[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001505521531 1114033580 /nfs/dbraw/zinc/03/35/80/1114033580.db2.gz FMEKMDBGYZZDRK-UHFFFAOYSA-N 2 2 340.471 2.242 10 0 EEAELP COc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)c1C ZINC001505664216 1114117434 /nfs/dbraw/zinc/11/74/34/1114117434.db2.gz OKBNGEUOLCDJNI-CVEARBPZSA-N 2 2 344.459 2.273 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21 ZINC001506833576 1114902070 /nfs/dbraw/zinc/90/20/70/1114902070.db2.gz XXOFWKGXOLLPLD-OSYLJGHBSA-N 2 2 344.484 2.219 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21 ZINC001506833576 1114902073 /nfs/dbraw/zinc/90/20/73/1114902073.db2.gz XXOFWKGXOLLPLD-OSYLJGHBSA-N 2 2 344.484 2.219 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001507406112 1115253921 /nfs/dbraw/zinc/25/39/21/1115253921.db2.gz CNIJDXRNWSJXMQ-STQMWFEESA-N 2 2 346.397 2.180 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@](C)(C[NH2+]CCC(F)(F)F)C1CC1 ZINC001568032198 1124240292 /nfs/dbraw/zinc/24/02/92/1124240292.db2.gz LTAKBUARUXLYMM-OAHLLOKOSA-N 2 2 346.397 2.180 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@H](C)N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001568281854 1124402783 /nfs/dbraw/zinc/40/27/83/1124402783.db2.gz YAKJEDKGWBQQPC-LLVKDONJSA-N 2 2 327.388 2.110 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]CCC(F)(F)F ZINC001568400305 1124470194 /nfs/dbraw/zinc/47/01/94/1124470194.db2.gz HDPVBWLQWLVCOT-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC/C=C\C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001568925865 1124954977 /nfs/dbraw/zinc/95/49/77/1124954977.db2.gz XRSSSTSZKBBSLN-QFRLHKFZSA-N 2 2 342.418 2.431 10 0 EEAELP Cc1cc(C)c(C[NH2+]C/C=C/CNC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001568972750 1125010977 /nfs/dbraw/zinc/01/09/77/1125010977.db2.gz BWGYHLQNFLLTMF-SNAWJCMRSA-N 2 2 326.444 2.271 10 0 EEAELP C[C@@H]([NH3+])c1cc(Br)ccc1OCC[NH+]1CCOCC1 ZINC000052066591 214114660 /nfs/dbraw/zinc/11/46/60/214114660.db2.gz JOABWUBZKFLVOI-LLVKDONJSA-N 2 2 329.238 2.180 10 0 EEAELP Cc1cc2n(n1)C[C@H](C[NH2+]Cc1ccc(-n3cc[nH+]c3)c(F)c1)CN2 ZINC000065474715 214923727 /nfs/dbraw/zinc/92/37/27/214923727.db2.gz JWFHSVRZOQPCSZ-OAHLLOKOSA-N 2 2 340.406 2.348 10 0 EEAELP CCc1[nH]c(C[N@@H+]2CC[C@@H](CNC(=O)c3occc3C)C2)c(C)[nH+]1 ZINC000067650458 215173377 /nfs/dbraw/zinc/17/33/77/215173377.db2.gz KHVHTXUCRSEFBK-AWEZNQCLSA-N 2 2 330.432 2.434 10 0 EEAELP CCc1[nH]c(C[N@H+]2CC[C@@H](CNC(=O)c3occc3C)C2)c(C)[nH+]1 ZINC000067650458 215173379 /nfs/dbraw/zinc/17/33/79/215173379.db2.gz KHVHTXUCRSEFBK-AWEZNQCLSA-N 2 2 330.432 2.434 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000290902447 539732619 /nfs/dbraw/zinc/73/26/19/539732619.db2.gz VHOHWZHUWFURKG-QGZVFWFLSA-N 2 2 341.459 2.274 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000290902447 539732625 /nfs/dbraw/zinc/73/26/25/539732625.db2.gz VHOHWZHUWFURKG-QGZVFWFLSA-N 2 2 341.459 2.274 10 0 EEAELP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422789791 240226118 /nfs/dbraw/zinc/22/61/18/240226118.db2.gz BOHFFQURSGGFBA-MSOLQXFVSA-N 2 2 331.460 2.138 10 0 EEAELP c1cc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc(C[NH+]2CCCC2)c1 ZINC000422801312 240231441 /nfs/dbraw/zinc/23/14/41/240231441.db2.gz BRLGGBRDVUCSST-UXHICEINSA-N 3 2 329.488 2.139 10 0 EEAELP Fc1cc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)ccc1Br ZINC000422955582 240306143 /nfs/dbraw/zinc/30/61/43/240306143.db2.gz JPWJMYWPCOWTGB-HUUCEWRRSA-N 2 2 343.240 2.445 10 0 EEAELP c1cnc2c(c1)cccc2OCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422952605 240306870 /nfs/dbraw/zinc/30/68/70/240306870.db2.gz BNFAMFGPHBDMDC-UYAOXDASSA-N 2 2 341.455 2.360 10 0 EEAELP CCCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000422832453 240252208 /nfs/dbraw/zinc/25/22/08/240252208.db2.gz VDGPXECMPGVEHM-OALUTQOASA-N 2 2 334.460 2.341 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000422838490 240255716 /nfs/dbraw/zinc/25/57/16/240255716.db2.gz OOFXZIIXGORMDB-DBOLQNLKSA-N 3 2 343.515 2.396 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000422838490 240255719 /nfs/dbraw/zinc/25/57/19/240255719.db2.gz OOFXZIIXGORMDB-DBOLQNLKSA-N 3 2 343.515 2.396 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCNC(=O)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423017045 240328764 /nfs/dbraw/zinc/32/87/64/240328764.db2.gz VIWZWEZKWFVPRW-ZWKOTPCHSA-N 2 2 333.476 2.240 10 0 EEAELP COc1ccc(C2(C[NH2+][C@H](C3CC3)[C@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000423034125 240339176 /nfs/dbraw/zinc/33/91/76/240339176.db2.gz PLMCAZWONKOGST-RTBURBONSA-N 2 2 330.472 2.474 10 0 EEAELP Fc1ccc(OCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000423157647 240388149 /nfs/dbraw/zinc/38/81/49/240388149.db2.gz MVIHGALGDWFYDB-HOTGVXAUSA-N 2 2 328.815 2.215 10 0 EEAELP COC(=O)c1cnc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000423189072 240399282 /nfs/dbraw/zinc/39/92/82/240399282.db2.gz OUHMKHJVTJVTHM-GFCCVEGCSA-N 2 2 334.445 2.155 10 0 EEAELP c1[nH+]cn(Cc2ccccc2)c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000445816884 242133200 /nfs/dbraw/zinc/13/32/00/242133200.db2.gz YQUZCYDZKWEQLU-LJQANCHMSA-N 2 2 340.471 2.086 10 0 EEAELP CS[C@@H]1CN(Cc2c[nH+]cn2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000445807625 242134517 /nfs/dbraw/zinc/13/45/17/242134517.db2.gz LCUFFANUVRXKNL-QZTJIDSGSA-N 2 2 330.501 2.409 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000264213459 246193831 /nfs/dbraw/zinc/19/38/31/246193831.db2.gz SDVZSMXAJAZOSH-KRWDZBQOSA-N 2 2 341.459 2.274 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000264213459 246193837 /nfs/dbraw/zinc/19/38/37/246193837.db2.gz SDVZSMXAJAZOSH-KRWDZBQOSA-N 2 2 341.459 2.274 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1O ZINC000093147323 218198541 /nfs/dbraw/zinc/19/85/41/218198541.db2.gz AFXHOFPWWPMPIM-KRWDZBQOSA-N 2 2 333.476 2.003 10 0 EEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1O ZINC000093147323 218198542 /nfs/dbraw/zinc/19/85/42/218198542.db2.gz AFXHOFPWWPMPIM-KRWDZBQOSA-N 2 2 333.476 2.003 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000271739231 256239303 /nfs/dbraw/zinc/23/93/03/256239303.db2.gz BTVYJRWOCUKQIX-WBVHZDCISA-N 2 2 327.432 2.007 10 0 EEAELP CN(Cc1[nH+]ccn1C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000271739231 256239305 /nfs/dbraw/zinc/23/93/05/256239305.db2.gz BTVYJRWOCUKQIX-WBVHZDCISA-N 2 2 327.432 2.007 10 0 EEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)cn1 ZINC000119228429 221272570 /nfs/dbraw/zinc/27/25/70/221272570.db2.gz ORWUIQCLLRTBRF-UHFFFAOYSA-N 2 2 342.447 2.346 10 0 EEAELP CCn1cc(C[N@H+]2CCCN(C(=O)Nc3cc[nH+]c(C)c3)CC2)cn1 ZINC000119228429 221272572 /nfs/dbraw/zinc/27/25/72/221272572.db2.gz ORWUIQCLLRTBRF-UHFFFAOYSA-N 2 2 342.447 2.346 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@@H+]1C ZINC000173761078 533586027 /nfs/dbraw/zinc/58/60/27/533586027.db2.gz UEAKOVISASXINJ-WBVHZDCISA-N 2 2 345.491 2.306 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC[N@H+]1C ZINC000173761078 533586032 /nfs/dbraw/zinc/58/60/32/533586032.db2.gz UEAKOVISASXINJ-WBVHZDCISA-N 2 2 345.491 2.306 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000174307335 533587247 /nfs/dbraw/zinc/58/72/47/533587247.db2.gz TZFAQXINDRLNFM-WBVHZDCISA-N 2 2 341.459 2.496 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000174307335 533587260 /nfs/dbraw/zinc/58/72/60/533587260.db2.gz TZFAQXINDRLNFM-WBVHZDCISA-N 2 2 341.459 2.496 10 0 EEAELP CC(C)c1noc([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000119730181 142375213 /nfs/dbraw/zinc/37/52/13/142375213.db2.gz MUCUSBIMCYPGKH-PMRDEQMMSA-N 2 2 347.507 2.497 10 0 EEAELP CC(C)c1noc([C@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000119730181 142375216 /nfs/dbraw/zinc/37/52/16/142375216.db2.gz MUCUSBIMCYPGKH-PMRDEQMMSA-N 2 2 347.507 2.497 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000073656229 292171421 /nfs/dbraw/zinc/17/14/21/292171421.db2.gz IVFNOGYLGMXTMJ-UHFFFAOYSA-N 2 2 333.480 2.069 10 0 EEAELP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000172749408 152116097 /nfs/dbraw/zinc/11/60/97/152116097.db2.gz XFDLWPKRSBIVMX-RTBURBONSA-N 2 2 345.487 2.003 10 0 EEAELP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC1 ZINC000263067989 152368619 /nfs/dbraw/zinc/36/86/19/152368619.db2.gz WEFPNPUSQOWKQF-INIZCTEOSA-N 2 2 337.414 2.073 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3c3ccco3)cn2)CC1 ZINC000093335268 159234155 /nfs/dbraw/zinc/23/41/55/159234155.db2.gz HOJAYYMFCXAXIL-INIZCTEOSA-N 2 2 327.432 2.159 10 0 EEAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3c3ccco3)cn2)CC1 ZINC000093335268 159234157 /nfs/dbraw/zinc/23/41/57/159234157.db2.gz HOJAYYMFCXAXIL-INIZCTEOSA-N 2 2 327.432 2.159 10 0 EEAELP C[N@H+](CCCOCC(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863568 159309942 /nfs/dbraw/zinc/30/99/42/159309942.db2.gz RWIANBSPXQYETB-UHFFFAOYSA-N 2 2 348.413 2.248 10 0 EEAELP C[N@@H+](CCCOCC(F)(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863568 159309944 /nfs/dbraw/zinc/30/99/44/159309944.db2.gz RWIANBSPXQYETB-UHFFFAOYSA-N 2 2 348.413 2.248 10 0 EEAELP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)s1 ZINC000178883469 159913349 /nfs/dbraw/zinc/91/33/49/159913349.db2.gz IYEFOVOERGGGNW-PVAVHDDUSA-N 2 2 348.516 2.016 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185697284 160045857 /nfs/dbraw/zinc/04/58/57/160045857.db2.gz FSZNOLDDDDAGLH-UHFFFAOYSA-N 2 2 335.496 2.460 10 0 EEAELP CC(C)[N@H+]1C[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000186535460 160074446 /nfs/dbraw/zinc/07/44/46/160074446.db2.gz GOUIGHISGXJLIF-IRXDYDNUSA-N 2 2 345.491 2.032 10 0 EEAELP CC(C)[N@@H+]1C[C@H](NC(=O)N2CCCN(c3cccc[nH+]3)CC2)[C@@H](C)C1 ZINC000186535460 160074448 /nfs/dbraw/zinc/07/44/48/160074448.db2.gz GOUIGHISGXJLIF-IRXDYDNUSA-N 2 2 345.491 2.032 10 0 EEAELP CC[C@@H](CO)[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC1 ZINC000192046004 160166364 /nfs/dbraw/zinc/16/63/64/160166364.db2.gz NFJBFCWPMCCGSO-SFHVURJKSA-N 2 2 328.460 2.069 10 0 EEAELP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245912080 160256568 /nfs/dbraw/zinc/25/65/68/160256568.db2.gz RJJBYMZJHDOODI-ZWKOTPCHSA-N 2 2 343.471 2.423 10 0 EEAELP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245912080 160256569 /nfs/dbraw/zinc/25/65/69/160256569.db2.gz RJJBYMZJHDOODI-ZWKOTPCHSA-N 2 2 343.471 2.423 10 0 EEAELP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1 ZINC000246493198 160281649 /nfs/dbraw/zinc/28/16/49/160281649.db2.gz HHRRKWQWFUVIHV-HKUYNNGSSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1 ZINC000246493198 160281651 /nfs/dbraw/zinc/28/16/51/160281651.db2.gz HHRRKWQWFUVIHV-HKUYNNGSSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccccc1 ZINC000246493198 160281653 /nfs/dbraw/zinc/28/16/53/160281653.db2.gz HHRRKWQWFUVIHV-HKUYNNGSSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccccc1 ZINC000246493198 160281655 /nfs/dbraw/zinc/28/16/55/160281655.db2.gz HHRRKWQWFUVIHV-HKUYNNGSSA-N 2 2 327.472 2.252 10 0 EEAELP C[C@@H]1CCC[N@H+](CCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000247073200 160308575 /nfs/dbraw/zinc/30/85/75/160308575.db2.gz GQNRJQWYTSSGJM-SJORKVTESA-N 2 2 347.507 2.362 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCCCNc2cc(N3CCC[C@H]3CO)[nH+]cn2)C1 ZINC000247073200 160308577 /nfs/dbraw/zinc/30/85/77/160308577.db2.gz GQNRJQWYTSSGJM-SJORKVTESA-N 2 2 347.507 2.362 10 0 EEAELP C[C@@H]1CCC[N@H+](CCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000247073200 160308579 /nfs/dbraw/zinc/30/85/79/160308579.db2.gz GQNRJQWYTSSGJM-SJORKVTESA-N 2 2 347.507 2.362 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCCCNc2cc(N3CCC[C@H]3CO)nc[nH+]2)C1 ZINC000247073200 160308580 /nfs/dbraw/zinc/30/85/80/160308580.db2.gz GQNRJQWYTSSGJM-SJORKVTESA-N 2 2 347.507 2.362 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247115564 160310839 /nfs/dbraw/zinc/31/08/39/160310839.db2.gz YPKHGVUENZMGJA-ROUUACIJSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247115564 160310840 /nfs/dbraw/zinc/31/08/40/160310840.db2.gz YPKHGVUENZMGJA-ROUUACIJSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247115564 160310842 /nfs/dbraw/zinc/31/08/42/160310842.db2.gz YPKHGVUENZMGJA-ROUUACIJSA-N 2 2 347.503 2.295 10 0 EEAELP Cc1cccc(OCCCNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247115564 160310844 /nfs/dbraw/zinc/31/08/44/160310844.db2.gz YPKHGVUENZMGJA-ROUUACIJSA-N 2 2 347.503 2.295 10 0 EEAELP COC(=O)c1cccc(C[NH+]2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000342820696 161093347 /nfs/dbraw/zinc/09/33/47/161093347.db2.gz KLHOVGKQCPDLGO-UHFFFAOYSA-N 2 2 325.412 2.499 10 0 EEAELP CCC[N@H+](Cc1cnn(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000368131332 166057019 /nfs/dbraw/zinc/05/70/19/166057019.db2.gz LTJIBPIESXALFD-UHFFFAOYSA-N 2 2 343.479 2.103 10 0 EEAELP CCC[N@@H+](Cc1cnn(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000368131332 166057020 /nfs/dbraw/zinc/05/70/20/166057020.db2.gz LTJIBPIESXALFD-UHFFFAOYSA-N 2 2 343.479 2.103 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000369080003 166184766 /nfs/dbraw/zinc/18/47/66/166184766.db2.gz ZXJBGIBRDZRUGC-WMZOPIPTSA-N 2 2 330.407 2.053 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000369080003 166184768 /nfs/dbraw/zinc/18/47/68/166184768.db2.gz ZXJBGIBRDZRUGC-WMZOPIPTSA-N 2 2 330.407 2.053 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376709937 167379176 /nfs/dbraw/zinc/37/91/76/167379176.db2.gz HFNKFHSGMXUQSG-SJLPKXTDSA-N 2 2 329.488 2.150 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376709937 167379179 /nfs/dbraw/zinc/37/91/79/167379179.db2.gz HFNKFHSGMXUQSG-SJLPKXTDSA-N 2 2 329.488 2.150 10 0 EEAELP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000279684770 269300675 /nfs/dbraw/zinc/30/06/75/269300675.db2.gz AWTRQWJMYNEXIA-QGZVFWFLSA-N 2 2 326.444 2.026 10 0 EEAELP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000279684770 269300676 /nfs/dbraw/zinc/30/06/76/269300676.db2.gz AWTRQWJMYNEXIA-QGZVFWFLSA-N 2 2 326.444 2.026 10 0 EEAELP CO[C@@H](C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1)c1ccccc1 ZINC000338545919 274059874 /nfs/dbraw/zinc/05/98/74/274059874.db2.gz DIINAVYTUSWXAS-KRWDZBQOSA-N 2 2 341.459 2.052 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000278585648 274377773 /nfs/dbraw/zinc/37/77/73/274377773.db2.gz BYLBYZCRDPDPJD-YOEHRIQHSA-N 2 2 334.370 2.100 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000278585648 274377776 /nfs/dbraw/zinc/37/77/76/274377776.db2.gz BYLBYZCRDPDPJD-YOEHRIQHSA-N 2 2 334.370 2.100 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106666 275377099 /nfs/dbraw/zinc/37/70/99/275377099.db2.gz IMTAEZUNSYAEIS-SJLPKXTDSA-N 2 2 333.863 2.473 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106666 275377100 /nfs/dbraw/zinc/37/71/00/275377100.db2.gz IMTAEZUNSYAEIS-SJLPKXTDSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106666 275377102 /nfs/dbraw/zinc/37/71/02/275377102.db2.gz IMTAEZUNSYAEIS-SJLPKXTDSA-N 2 2 333.863 2.473 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)C1 ZINC000292106666 275377103 /nfs/dbraw/zinc/37/71/03/275377103.db2.gz IMTAEZUNSYAEIS-SJLPKXTDSA-N 2 2 333.863 2.473 10 0 EEAELP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423455128 288060099 /nfs/dbraw/zinc/06/00/99/288060099.db2.gz BWUNYGXBQNWXFO-KWBADKCTSA-N 2 2 333.885 2.025 10 0 EEAELP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1OCC(=O)N(C)C ZINC000423559220 288087537 /nfs/dbraw/zinc/08/75/37/288087537.db2.gz OUAFZKKIULKVGG-RDJZCZTQSA-N 2 2 333.476 2.336 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3Cc3ccccc3)[C@H]2C1 ZINC000293273279 293167424 /nfs/dbraw/zinc/16/74/24/293167424.db2.gz NQBZDEVPYREQCF-RBUKOAKNSA-N 2 2 340.471 2.226 10 0 EEAELP CC[N@H+]1CC[C@H]2OCCN(Cc3[nH+]ccn3Cc3ccccc3)[C@H]2C1 ZINC000293273279 293167425 /nfs/dbraw/zinc/16/74/25/293167425.db2.gz NQBZDEVPYREQCF-RBUKOAKNSA-N 2 2 340.471 2.226 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298018303 294397750 /nfs/dbraw/zinc/39/77/50/294397750.db2.gz FMAVUZZLFFQGGN-QGZVFWFLSA-N 2 2 341.459 2.319 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298018303 294397754 /nfs/dbraw/zinc/39/77/54/294397754.db2.gz FMAVUZZLFFQGGN-QGZVFWFLSA-N 2 2 341.459 2.319 10 0 EEAELP COc1ccc(C2(C[NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCC2)cc1 ZINC000423034123 295113664 /nfs/dbraw/zinc/11/36/64/295113664.db2.gz PLMCAZWONKOGST-RBUKOAKNSA-N 2 2 330.472 2.474 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054764300 311323132 /nfs/dbraw/zinc/32/31/32/311323132.db2.gz DTQJPPUUTZIADB-UHFFFAOYSA-N 2 2 341.459 2.079 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054764300 311323134 /nfs/dbraw/zinc/32/31/34/311323134.db2.gz DTQJPPUUTZIADB-UHFFFAOYSA-N 2 2 341.459 2.079 10 0 EEAELP [NH3+]C[C@@H]1CCCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000333192269 312109884 /nfs/dbraw/zinc/10/98/84/312109884.db2.gz VIDWLSUSCOBMGZ-AWEZNQCLSA-N 2 2 337.493 2.474 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352925665 312387999 /nfs/dbraw/zinc/38/79/99/312387999.db2.gz PWIDJQMIFZKACA-RDGKXADDSA-N 2 2 347.425 2.344 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352925665 312388002 /nfs/dbraw/zinc/38/80/02/312388002.db2.gz PWIDJQMIFZKACA-RDGKXADDSA-N 2 2 347.425 2.344 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352925665 312388005 /nfs/dbraw/zinc/38/80/05/312388005.db2.gz PWIDJQMIFZKACA-RDGKXADDSA-N 2 2 347.425 2.344 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352925665 312388008 /nfs/dbraw/zinc/38/80/08/312388008.db2.gz PWIDJQMIFZKACA-RDGKXADDSA-N 2 2 347.425 2.344 10 0 EEAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000414455543 313024114 /nfs/dbraw/zinc/02/41/14/313024114.db2.gz HRNAQJMBGHVLQC-LJQANCHMSA-N 2 2 346.450 2.256 10 0 EEAELP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000414455543 313024118 /nfs/dbraw/zinc/02/41/18/313024118.db2.gz HRNAQJMBGHVLQC-LJQANCHMSA-N 2 2 346.450 2.256 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+]CCc2cccc(C(F)(F)F)n2)n1C ZINC000419742910 313921903 /nfs/dbraw/zinc/92/19/03/313921903.db2.gz FJSBYDMGTXHOAI-UHFFFAOYSA-N 2 2 327.354 2.232 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cc(Cl)ccc2F)CC1 ZINC000444687597 315317007 /nfs/dbraw/zinc/31/70/07/315317007.db2.gz BAIURVGZYHVVTN-CYBMUJFWSA-N 2 2 341.858 2.464 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(Cl)ccc2F)CC1 ZINC000444687597 315317010 /nfs/dbraw/zinc/31/70/10/315317010.db2.gz BAIURVGZYHVVTN-CYBMUJFWSA-N 2 2 341.858 2.464 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000445152858 315348285 /nfs/dbraw/zinc/34/82/85/315348285.db2.gz YMGAERKRHXUHMD-UHFFFAOYSA-N 2 2 335.496 2.460 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000445152858 315348289 /nfs/dbraw/zinc/34/82/89/315348289.db2.gz YMGAERKRHXUHMD-UHFFFAOYSA-N 2 2 335.496 2.460 10 0 EEAELP Cn1cc[nH+]c1[C@@H](CC(=O)N1CCC[C@H]1C[NH+](C)C)C(F)(F)F ZINC000521366662 316909641 /nfs/dbraw/zinc/90/96/41/316909641.db2.gz MJDGHAANURNNEK-NWDGAFQWSA-N 2 2 332.370 2.009 10 0 EEAELP Cc1ccn2cc(CNC(=O)NC3CC([NH+]4CCCCC4)C3)[nH+]c2c1 ZINC000527215584 317167480 /nfs/dbraw/zinc/16/74/80/317167480.db2.gz RIIKVKASQCXYHS-UHFFFAOYSA-N 2 2 341.459 2.459 10 0 EEAELP CO[C@H](C)c1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530241317 317703194 /nfs/dbraw/zinc/70/31/94/317703194.db2.gz QAHATMKZGHZDFG-CZUORRHYSA-N 2 2 339.505 2.441 10 0 EEAELP O=C(Cn1c[nH+]c2c1CCCC2)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000541776919 318108895 /nfs/dbraw/zinc/10/88/95/318108895.db2.gz ORUSQMLNBRITFO-QGZVFWFLSA-N 2 2 342.443 2.308 10 0 EEAELP CC(C)n1cc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000543086127 318150636 /nfs/dbraw/zinc/15/06/36/318150636.db2.gz ARXOULYLWWHVTB-HOCLYGCPSA-N 2 2 344.463 2.039 10 0 EEAELP CC[NH+](CC)CCOc1ccccc1CNC(=O)C[NH+]1CC(C)(C)C1 ZINC000561156507 318827147 /nfs/dbraw/zinc/82/71/47/318827147.db2.gz SUUZTPSBZXJJEK-UHFFFAOYSA-N 2 2 347.503 2.365 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1)[NH+]1CCOCC1 ZINC000563464265 319013758 /nfs/dbraw/zinc/01/37/58/319013758.db2.gz YMBCQFGJVRBRFO-IIDMSEBBSA-N 2 2 346.475 2.199 10 0 EEAELP Cc1nc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cs1 ZINC000564071551 319065081 /nfs/dbraw/zinc/06/50/81/319065081.db2.gz ZNBOATIJDLLAIL-YPMHNXCESA-N 2 2 333.461 2.027 10 0 EEAELP COc1cncc(/C=C/CC[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000566156456 319253315 /nfs/dbraw/zinc/25/33/15/319253315.db2.gz XAPNJDCQSQIXOJ-ROVVAWJSSA-N 2 2 331.460 2.148 10 0 EEAELP COc1cncc(/C=C/CC[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000566156456 319253318 /nfs/dbraw/zinc/25/33/18/319253318.db2.gz XAPNJDCQSQIXOJ-ROVVAWJSSA-N 2 2 331.460 2.148 10 0 EEAELP Cc1c[nH+]c(C)nc1N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000566477690 319293137 /nfs/dbraw/zinc/29/31/37/319293137.db2.gz BXCZKAPVZFEJPB-UHFFFAOYSA-N 2 2 339.487 2.347 10 0 EEAELP Cc1c[nH+]c(C)nc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000566477690 319293139 /nfs/dbraw/zinc/29/31/39/319293139.db2.gz BXCZKAPVZFEJPB-UHFFFAOYSA-N 2 2 339.487 2.347 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000623773512 450580863 /nfs/dbraw/zinc/58/08/63/450580863.db2.gz KZFZHJFEPCDVNS-OAHLLOKOSA-N 2 2 327.432 2.040 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)NCCNc2ccc3ccccc3[nH+]2)C1 ZINC000623773512 450580866 /nfs/dbraw/zinc/58/08/66/450580866.db2.gz KZFZHJFEPCDVNS-OAHLLOKOSA-N 2 2 327.432 2.040 10 0 EEAELP Cc1nc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)nc(N)[nH+]1 ZINC000631052026 451556645 /nfs/dbraw/zinc/55/66/45/451556645.db2.gz FPZJPJIXPYVEFO-UHFFFAOYSA-N 2 2 326.448 2.028 10 0 EEAELP Cc1nc(N)nc(NCc2ccc(C[NH+]3CCC(C)CC3)cc2)[nH+]1 ZINC000631052026 451556649 /nfs/dbraw/zinc/55/66/49/451556649.db2.gz FPZJPJIXPYVEFO-UHFFFAOYSA-N 2 2 326.448 2.028 10 0 EEAELP C[C@@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@@H+]1CCCC[C@H]1C ZINC000049157606 462957481 /nfs/dbraw/zinc/95/74/81/462957481.db2.gz VRMBSPAHZKXZLZ-CABCVRRESA-N 2 2 333.480 2.210 10 0 EEAELP C[C@@H](CNC(=O)NCc1ccc[nH+]c1N(C)C)[N@H+]1CCCC[C@H]1C ZINC000049157606 462957488 /nfs/dbraw/zinc/95/74/88/462957488.db2.gz VRMBSPAHZKXZLZ-CABCVRRESA-N 2 2 333.480 2.210 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177397810 465005477 /nfs/dbraw/zinc/00/54/77/465005477.db2.gz BKWRNAGPIHUATP-FGTMMUONSA-N 2 2 347.507 2.425 10 0 EEAELP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177397810 465005484 /nfs/dbraw/zinc/00/54/84/465005484.db2.gz BKWRNAGPIHUATP-FGTMMUONSA-N 2 2 347.507 2.425 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000358661863 465248979 /nfs/dbraw/zinc/24/89/79/465248979.db2.gz IFBPZVTZBLAAGM-IRXDYDNUSA-N 2 2 331.464 2.128 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000358661863 465248984 /nfs/dbraw/zinc/24/89/84/465248984.db2.gz IFBPZVTZBLAAGM-IRXDYDNUSA-N 2 2 331.464 2.128 10 0 EEAELP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000339428730 465265979 /nfs/dbraw/zinc/26/59/79/465265979.db2.gz LBQKESUXDVVUPO-HXUWFJFHSA-N 2 2 340.471 2.041 10 0 EEAELP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000339428730 465265988 /nfs/dbraw/zinc/26/59/88/465265988.db2.gz LBQKESUXDVVUPO-HXUWFJFHSA-N 2 2 340.471 2.041 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000339428730 465265995 /nfs/dbraw/zinc/26/59/95/465265995.db2.gz LBQKESUXDVVUPO-HXUWFJFHSA-N 2 2 340.471 2.041 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000339428730 465266001 /nfs/dbraw/zinc/26/60/01/465266001.db2.gz LBQKESUXDVVUPO-HXUWFJFHSA-N 2 2 340.471 2.041 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298291631 465356990 /nfs/dbraw/zinc/35/69/90/465356990.db2.gz HGVKVBSROYIHQA-NRFANRHFSA-N 3 2 344.547 2.219 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298291631 465356994 /nfs/dbraw/zinc/35/69/94/465356994.db2.gz HGVKVBSROYIHQA-NRFANRHFSA-N 3 2 344.547 2.219 10 0 EEAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298291631 465356997 /nfs/dbraw/zinc/35/69/97/465356997.db2.gz HGVKVBSROYIHQA-NRFANRHFSA-N 3 2 344.547 2.219 10 0 EEAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298291631 465357000 /nfs/dbraw/zinc/35/70/00/465357000.db2.gz HGVKVBSROYIHQA-NRFANRHFSA-N 3 2 344.547 2.219 10 0 EEAELP CC(C)CN(CC[NH+](C)C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000046943226 462722284 /nfs/dbraw/zinc/72/22/84/462722284.db2.gz WKPAIALHNVNQDQ-UHFFFAOYSA-N 2 2 347.507 2.280 10 0 EEAELP C[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000118843837 462857022 /nfs/dbraw/zinc/85/70/22/462857022.db2.gz QOYXTSVESDWKSS-QFBILLFUSA-N 2 2 329.488 2.454 10 0 EEAELP C[N@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000118843837 462857026 /nfs/dbraw/zinc/85/70/26/462857026.db2.gz QOYXTSVESDWKSS-QFBILLFUSA-N 2 2 329.488 2.454 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000118843837 462857032 /nfs/dbraw/zinc/85/70/32/462857032.db2.gz QOYXTSVESDWKSS-QFBILLFUSA-N 2 2 329.488 2.454 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1CCCc2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000118843837 462857036 /nfs/dbraw/zinc/85/70/36/462857036.db2.gz QOYXTSVESDWKSS-QFBILLFUSA-N 2 2 329.488 2.454 10 0 EEAELP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000091305852 462871266 /nfs/dbraw/zinc/87/12/66/462871266.db2.gz HNEDGUUOBMARPK-OAHLLOKOSA-N 2 2 347.484 2.117 10 0 EEAELP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000091305852 462871272 /nfs/dbraw/zinc/87/12/72/462871272.db2.gz HNEDGUUOBMARPK-OAHLLOKOSA-N 2 2 347.484 2.117 10 0 EEAELP COc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000095405558 463078315 /nfs/dbraw/zinc/07/83/15/463078315.db2.gz XHYDGDJHVVTVGS-SJORKVTESA-N 2 2 345.487 2.242 10 0 EEAELP COc1ccccc1[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000095405558 463078320 /nfs/dbraw/zinc/07/83/20/463078320.db2.gz XHYDGDJHVVTVGS-SJORKVTESA-N 2 2 345.487 2.242 10 0 EEAELP CCCn1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000123040164 463312584 /nfs/dbraw/zinc/31/25/84/463312584.db2.gz VKWZXMKVGDWRQU-ROUUACIJSA-N 2 2 333.524 2.284 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000124376924 463416766 /nfs/dbraw/zinc/41/67/66/463416766.db2.gz UUKIACLKNFHQRN-IAGOWNOFSA-N 2 2 345.491 2.080 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000124376924 463416767 /nfs/dbraw/zinc/41/67/67/463416767.db2.gz UUKIACLKNFHQRN-IAGOWNOFSA-N 2 2 345.491 2.080 10 0 EEAELP CC[NH+](CC)CCNC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000073417004 463611289 /nfs/dbraw/zinc/61/12/89/463611289.db2.gz ZDSMEZDMOVQREV-QGZVFWFLSA-N 2 2 343.475 2.345 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2C2CCC2)([NH+]2CCCCC2)CC1 ZINC000579479752 468365507 /nfs/dbraw/zinc/36/55/07/468365507.db2.gz BRCUECJWJYGXCE-ZWKOTPCHSA-N 2 2 333.520 2.489 10 0 EEAELP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)c(F)c1 ZINC000044438897 463679070 /nfs/dbraw/zinc/67/90/70/463679070.db2.gz YFVHERIJUWNGDM-UHFFFAOYSA-N 2 2 337.414 2.140 10 0 EEAELP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)c(F)c1 ZINC000044438897 463679073 /nfs/dbraw/zinc/67/90/73/463679073.db2.gz YFVHERIJUWNGDM-UHFFFAOYSA-N 2 2 337.414 2.140 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000193816771 463745385 /nfs/dbraw/zinc/74/53/85/463745385.db2.gz MGCACWUMRWHCFD-UYAOXDASSA-N 2 2 332.488 2.468 10 0 EEAELP c1cc(-c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)o2)n[nH]1 ZINC000283045271 463745786 /nfs/dbraw/zinc/74/57/86/463745786.db2.gz OHLSOPVDTBCZRY-OAHLLOKOSA-N 2 2 330.432 2.214 10 0 EEAELP c1cc(-c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCOCC4)C3)o2)n[nH]1 ZINC000283045271 463745790 /nfs/dbraw/zinc/74/57/90/463745790.db2.gz OHLSOPVDTBCZRY-OAHLLOKOSA-N 2 2 330.432 2.214 10 0 EEAELP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000177747941 463782045 /nfs/dbraw/zinc/78/20/45/463782045.db2.gz CYQCXGSWWFEGHM-YWZLYKJASA-N 2 2 341.503 2.475 10 0 EEAELP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000177747941 463782053 /nfs/dbraw/zinc/78/20/53/463782053.db2.gz CYQCXGSWWFEGHM-YWZLYKJASA-N 2 2 341.503 2.475 10 0 EEAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000177854448 463804043 /nfs/dbraw/zinc/80/40/43/463804043.db2.gz MQCJDAVKWAIXNH-INIZCTEOSA-N 2 2 345.491 2.034 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000177854448 463804046 /nfs/dbraw/zinc/80/40/46/463804046.db2.gz MQCJDAVKWAIXNH-INIZCTEOSA-N 2 2 345.491 2.034 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000268918900 463808700 /nfs/dbraw/zinc/80/87/00/463808700.db2.gz VYSPZEMWNGXWFV-SBHAEUEKSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000268918900 463808711 /nfs/dbraw/zinc/80/87/11/463808711.db2.gz VYSPZEMWNGXWFV-SBHAEUEKSA-N 3 2 344.547 2.123 10 0 EEAELP C[C@@H]1C[N@H+](C[C@@]2(C)CC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000261712875 463835279 /nfs/dbraw/zinc/83/52/79/463835279.db2.gz DVBQGXKHMYBBBJ-BEFAXECRSA-N 2 2 349.906 2.415 10 0 EEAELP C[C@@H]1C[N@@H+](C[C@@]2(C)CC[NH2+]C2)CCN1C(=O)Cc1cccc(Cl)c1 ZINC000261712875 463835281 /nfs/dbraw/zinc/83/52/81/463835281.db2.gz DVBQGXKHMYBBBJ-BEFAXECRSA-N 2 2 349.906 2.415 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351912375 465437046 /nfs/dbraw/zinc/43/70/46/465437046.db2.gz IBEUBDCECKCHAU-HNNXBMFYSA-N 2 2 335.496 2.411 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000279103445 464038822 /nfs/dbraw/zinc/03/88/22/464038822.db2.gz AYVSQDOMOIIVPY-RHSMWYFYSA-N 2 2 334.370 2.182 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCc2[nH]cc[nH+]2)[C@H]1c1ccc(F)c(F)c1 ZINC000279103445 464038823 /nfs/dbraw/zinc/03/88/23/464038823.db2.gz AYVSQDOMOIIVPY-RHSMWYFYSA-N 2 2 334.370 2.182 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2cnn(C)c2)C[N@H+](Cc2ccccc2)C1 ZINC000221866611 464124387 /nfs/dbraw/zinc/12/43/87/464124387.db2.gz VIDUTJVXLQFSMJ-NSISKUIASA-N 2 2 342.487 2.128 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)c2cnn(C)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000221866611 464124395 /nfs/dbraw/zinc/12/43/95/464124395.db2.gz VIDUTJVXLQFSMJ-NSISKUIASA-N 2 2 342.487 2.128 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000281302185 464406951 /nfs/dbraw/zinc/40/69/51/464406951.db2.gz YRTITBPYXVOCOJ-DOTOQJQBSA-N 2 2 336.501 2.064 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000281302185 464406957 /nfs/dbraw/zinc/40/69/57/464406957.db2.gz YRTITBPYXVOCOJ-DOTOQJQBSA-N 2 2 336.501 2.064 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000237993753 464417287 /nfs/dbraw/zinc/41/72/87/464417287.db2.gz QNLXWLWOTOCPND-LJQANCHMSA-N 2 2 336.439 2.054 10 0 EEAELP Cc1ccccc1NC(=O)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174875966 464460729 /nfs/dbraw/zinc/46/07/29/464460729.db2.gz USPMHYXPMPTBGW-SFHVURJKSA-N 2 2 344.503 2.035 10 0 EEAELP Cc1ccccc1NC(=O)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174875966 464460734 /nfs/dbraw/zinc/46/07/34/464460734.db2.gz USPMHYXPMPTBGW-SFHVURJKSA-N 2 2 344.503 2.035 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1Cc1nc(N(C)C)no1 ZINC000281934398 464640007 /nfs/dbraw/zinc/64/00/07/464640007.db2.gz IHSQYFBEZXDQRW-CQSZACIVSA-N 2 2 340.431 2.458 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1nc(N(C)C)no1 ZINC000281934398 464640011 /nfs/dbraw/zinc/64/00/11/464640011.db2.gz IHSQYFBEZXDQRW-CQSZACIVSA-N 2 2 340.431 2.458 10 0 EEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000247478310 464683985 /nfs/dbraw/zinc/68/39/85/464683985.db2.gz SKVHEKZVAARJFV-WBVHZDCISA-N 2 2 343.475 2.060 10 0 EEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000247478310 464683991 /nfs/dbraw/zinc/68/39/91/464683991.db2.gz SKVHEKZVAARJFV-WBVHZDCISA-N 2 2 343.475 2.060 10 0 EEAELP C[C@@H](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000182668567 464705824 /nfs/dbraw/zinc/70/58/24/464705824.db2.gz OMTBBIWQKNWPGM-DLBZAZTESA-N 2 2 333.480 2.322 10 0 EEAELP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176281135 464738869 /nfs/dbraw/zinc/73/88/69/464738869.db2.gz VNMHQGJZNXVLJG-GJZGRUSLSA-N 2 2 349.441 2.451 10 0 EEAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176281135 464738874 /nfs/dbraw/zinc/73/88/74/464738874.db2.gz VNMHQGJZNXVLJG-GJZGRUSLSA-N 2 2 349.441 2.451 10 0 EEAELP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176281135 464738880 /nfs/dbraw/zinc/73/88/80/464738880.db2.gz VNMHQGJZNXVLJG-GJZGRUSLSA-N 2 2 349.441 2.451 10 0 EEAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(F)(F)F)C2)C1 ZINC000176281135 464738885 /nfs/dbraw/zinc/73/88/85/464738885.db2.gz VNMHQGJZNXVLJG-GJZGRUSLSA-N 2 2 349.441 2.451 10 0 EEAELP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1 ZINC000176299332 464742167 /nfs/dbraw/zinc/74/21/67/464742167.db2.gz YRAMBNKGSIMWSW-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176299332 464742178 /nfs/dbraw/zinc/74/21/78/464742178.db2.gz YRAMBNKGSIMWSW-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176299332 464742184 /nfs/dbraw/zinc/74/21/84/464742184.db2.gz YRAMBNKGSIMWSW-ROUUACIJSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000176657562 464819344 /nfs/dbraw/zinc/81/93/44/464819344.db2.gz QZVWYVNJCPTSRW-CVEARBPZSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000176657562 464819351 /nfs/dbraw/zinc/81/93/51/464819351.db2.gz QZVWYVNJCPTSRW-CVEARBPZSA-N 2 2 335.496 2.459 10 0 EEAELP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177167960 464948350 /nfs/dbraw/zinc/94/83/50/464948350.db2.gz IBMQLPKVWWGTON-MRXNPFEDSA-N 2 2 327.432 2.100 10 0 EEAELP CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)nc1 ZINC000177167960 464948358 /nfs/dbraw/zinc/94/83/58/464948358.db2.gz IBMQLPKVWWGTON-MRXNPFEDSA-N 2 2 327.432 2.100 10 0 EEAELP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000337391054 465342968 /nfs/dbraw/zinc/34/29/68/465342968.db2.gz NQLOUQLOKQNMKY-HLIPFELVSA-N 2 2 342.487 2.289 10 0 EEAELP COC(=O)[C@H](CC(C)C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351845561 465395171 /nfs/dbraw/zinc/39/51/71/465395171.db2.gz UFJOZZSBYXBTIP-KSZLIROESA-N 2 2 339.524 2.065 10 0 EEAELP COC(=O)[C@H](CC(C)C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000351845561 465395177 /nfs/dbraw/zinc/39/51/77/465395177.db2.gz UFJOZZSBYXBTIP-KSZLIROESA-N 2 2 339.524 2.065 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H](C)CS(C)(=O)=O ZINC000339659949 465425711 /nfs/dbraw/zinc/42/57/11/465425711.db2.gz JACZMKCKPBODKL-GOEBONIOSA-N 2 2 349.500 2.490 10 0 EEAELP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)o1 ZINC000361043104 465726116 /nfs/dbraw/zinc/72/61/16/465726116.db2.gz NPKLKRGFWMSBJQ-KBMXLJTQSA-N 2 2 342.443 2.417 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000371443729 465798626 /nfs/dbraw/zinc/79/86/26/465798626.db2.gz SRCDLFOZZPGLKY-QFBILLFUSA-N 2 2 338.455 2.438 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000371443729 465798632 /nfs/dbraw/zinc/79/86/32/465798632.db2.gz SRCDLFOZZPGLKY-QFBILLFUSA-N 2 2 338.455 2.438 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000371443729 465798637 /nfs/dbraw/zinc/79/86/37/465798637.db2.gz SRCDLFOZZPGLKY-QFBILLFUSA-N 2 2 338.455 2.438 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000371443729 465798642 /nfs/dbraw/zinc/79/86/42/465798642.db2.gz SRCDLFOZZPGLKY-QFBILLFUSA-N 2 2 338.455 2.438 10 0 EEAELP C[N@H+](CCCO)C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346192209 465978515 /nfs/dbraw/zinc/97/85/15/465978515.db2.gz DLEZHMQCFINYGW-UHFFFAOYSA-N 2 2 334.489 2.212 10 0 EEAELP C[N@@H+](CCCO)C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346192209 465978516 /nfs/dbraw/zinc/97/85/16/465978516.db2.gz DLEZHMQCFINYGW-UHFFFAOYSA-N 2 2 334.489 2.212 10 0 EEAELP C[N@H+](CCCO)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346192209 465978522 /nfs/dbraw/zinc/97/85/22/465978522.db2.gz DLEZHMQCFINYGW-UHFFFAOYSA-N 3 2 334.489 2.212 10 0 EEAELP C[N@@H+](CCCO)C1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000346192209 465978527 /nfs/dbraw/zinc/97/85/27/465978527.db2.gz DLEZHMQCFINYGW-UHFFFAOYSA-N 3 2 334.489 2.212 10 0 EEAELP CCc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)oc1CC ZINC000372051258 466137097 /nfs/dbraw/zinc/13/70/97/466137097.db2.gz FNPLAHQCMKOJOM-OAHLLOKOSA-N 2 2 333.476 2.303 10 0 EEAELP CCOc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000354381373 466523846 /nfs/dbraw/zinc/52/38/46/466523846.db2.gz FSRASYGHXWZEPX-UHFFFAOYSA-N 2 2 347.503 2.492 10 0 EEAELP CCOc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000354381373 466523854 /nfs/dbraw/zinc/52/38/54/466523854.db2.gz FSRASYGHXWZEPX-UHFFFAOYSA-N 2 2 347.503 2.492 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@@H+]1C ZINC000341141890 466615240 /nfs/dbraw/zinc/61/52/40/466615240.db2.gz NKBLGQFSJOPDPP-RYUDHWBXSA-N 2 2 347.385 2.070 10 0 EEAELP C[C@H]1C[C@@H](N(C)C(=O)NCc2[nH+]ccn2CC(F)(F)F)CC[N@H+]1C ZINC000341141890 466615245 /nfs/dbraw/zinc/61/52/45/466615245.db2.gz NKBLGQFSJOPDPP-RYUDHWBXSA-N 2 2 347.385 2.070 10 0 EEAELP [NH3+]CCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000417580147 466887048 /nfs/dbraw/zinc/88/70/48/466887048.db2.gz COWRSMMELUGXAC-AWEZNQCLSA-N 2 2 342.846 2.092 10 0 EEAELP [NH3+]CCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000417580147 466887053 /nfs/dbraw/zinc/88/70/53/466887053.db2.gz COWRSMMELUGXAC-AWEZNQCLSA-N 2 2 342.846 2.092 10 0 EEAELP C[NH+]1CCN(C(=O)CC[N@H+]2CC=C(c3c(F)cccc3F)CC2)CC1 ZINC000370588294 466932368 /nfs/dbraw/zinc/93/23/68/466932368.db2.gz JVNVEBUJTRFVHR-UHFFFAOYSA-N 2 2 349.425 2.218 10 0 EEAELP C[NH+]1CCN(C(=O)CC[N@@H+]2CC=C(c3c(F)cccc3F)CC2)CC1 ZINC000370588294 466932370 /nfs/dbraw/zinc/93/23/70/466932370.db2.gz JVNVEBUJTRFVHR-UHFFFAOYSA-N 2 2 349.425 2.218 10 0 EEAELP CC[C@H]([NH3+])CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000417908025 466981376 /nfs/dbraw/zinc/98/13/76/466981376.db2.gz ATRSGOZOLOGCHE-DOTOQJQBSA-N 2 2 329.448 2.278 10 0 EEAELP c1cc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)o2)n[nH]1 ZINC000366005621 467024800 /nfs/dbraw/zinc/02/48/00/467024800.db2.gz DLETVKZUXWJBIL-AWEZNQCLSA-N 2 2 330.432 2.260 10 0 EEAELP Cc1cccc(-c2noc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)n2)c1 ZINC000377604685 467095245 /nfs/dbraw/zinc/09/52/45/467095245.db2.gz ILUQTTBJDOLAAG-UHFFFAOYSA-N 2 2 345.491 2.360 10 0 EEAELP Cc1cccc(-c2noc(C[N@H+](C)CCCN(C)CC[NH+](C)C)n2)c1 ZINC000377604685 467095246 /nfs/dbraw/zinc/09/52/46/467095246.db2.gz ILUQTTBJDOLAAG-UHFFFAOYSA-N 2 2 345.491 2.360 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)CCC[NH3+])CC2)s1 ZINC000418708923 467148980 /nfs/dbraw/zinc/14/89/80/467148980.db2.gz QYNORLAHYYROHU-AWEZNQCLSA-N 2 2 338.521 2.265 10 0 EEAELP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000378063816 467189756 /nfs/dbraw/zinc/18/97/56/467189756.db2.gz XFDKZFYSJLUJFP-MRXNPFEDSA-N 2 2 345.491 2.221 10 0 EEAELP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000378063816 467189757 /nfs/dbraw/zinc/18/97/57/467189757.db2.gz XFDKZFYSJLUJFP-MRXNPFEDSA-N 2 2 345.491 2.221 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000378079006 467193524 /nfs/dbraw/zinc/19/35/24/467193524.db2.gz MBDQDRQYEBOBOH-WMLDXEAASA-N 2 2 333.480 2.077 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000378079006 467193526 /nfs/dbraw/zinc/19/35/26/467193526.db2.gz MBDQDRQYEBOBOH-WMLDXEAASA-N 2 2 333.480 2.077 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)C1([NH+]2CCOCC2)CCC1)c1ccco1 ZINC000378374330 467283894 /nfs/dbraw/zinc/28/38/94/467283894.db2.gz FPMRDKPVFKAMKL-INIZCTEOSA-N 2 2 349.475 2.034 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420379426 467386910 /nfs/dbraw/zinc/38/69/10/467386910.db2.gz QYSIUNGRKVUEIS-KDOFPFPSSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420379426 467386912 /nfs/dbraw/zinc/38/69/12/467386912.db2.gz QYSIUNGRKVUEIS-KDOFPFPSSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420382378 467387726 /nfs/dbraw/zinc/38/77/26/467387726.db2.gz SCYQHGTVCNNIEV-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420382378 467387730 /nfs/dbraw/zinc/38/77/30/467387730.db2.gz SCYQHGTVCNNIEV-DNVCBOLYSA-N 2 2 333.451 2.421 10 0 EEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420400257 467394958 /nfs/dbraw/zinc/39/49/58/467394958.db2.gz OOABBPKXRIRJNG-HUUCEWRRSA-N 2 2 347.459 2.065 10 0 EEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420400257 467394963 /nfs/dbraw/zinc/39/49/63/467394963.db2.gz OOABBPKXRIRJNG-HUUCEWRRSA-N 2 2 347.459 2.065 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000448549421 467592673 /nfs/dbraw/zinc/59/26/73/467592673.db2.gz RJDVKVNOUBZBNK-JFIYKMOQSA-N 2 2 331.460 2.107 10 0 EEAELP CC[C@@H]1[C@@H](CO)CC[N@H+]1C[C@@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000448549421 467592674 /nfs/dbraw/zinc/59/26/74/467592674.db2.gz RJDVKVNOUBZBNK-JFIYKMOQSA-N 2 2 331.460 2.107 10 0 EEAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449396142 467638933 /nfs/dbraw/zinc/63/89/33/467638933.db2.gz RPMCSWRJRITOPL-OALUTQOASA-N 2 2 338.467 2.210 10 0 EEAELP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449396142 467638937 /nfs/dbraw/zinc/63/89/37/467638937.db2.gz RPMCSWRJRITOPL-OALUTQOASA-N 2 2 338.467 2.210 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000457456358 467827621 /nfs/dbraw/zinc/82/76/21/467827621.db2.gz BKCXLRLORJKFFN-INIZCTEOSA-N 2 2 349.866 2.218 10 0 EEAELP CC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000450429901 467848674 /nfs/dbraw/zinc/84/86/74/467848674.db2.gz NXGBLMBEFUSZAZ-UHFFFAOYSA-N 2 2 339.443 2.067 10 0 EEAELP Cn1ncc(Br)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000494999559 468082071 /nfs/dbraw/zinc/08/20/71/468082071.db2.gz UXZDPAIFWNZZMU-AAEUAGOBSA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000494999559 468082074 /nfs/dbraw/zinc/08/20/74/468082074.db2.gz UXZDPAIFWNZZMU-AAEUAGOBSA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000494999559 468082077 /nfs/dbraw/zinc/08/20/77/468082077.db2.gz UXZDPAIFWNZZMU-AAEUAGOBSA-N 2 2 327.270 2.099 10 0 EEAELP Cn1ncc(Br)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000494999559 468082079 /nfs/dbraw/zinc/08/20/79/468082079.db2.gz UXZDPAIFWNZZMU-AAEUAGOBSA-N 2 2 327.270 2.099 10 0 EEAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000517360829 468082399 /nfs/dbraw/zinc/08/23/99/468082399.db2.gz AZRLRJHMCNXWGS-JKSUJKDBSA-N 2 2 329.444 2.351 10 0 EEAELP Cc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488414226 468085852 /nfs/dbraw/zinc/08/58/52/468085852.db2.gz NFSFYCKVOPEZFW-HNNXBMFYSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1nc(N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000488414226 468085855 /nfs/dbraw/zinc/08/58/55/468085855.db2.gz NFSFYCKVOPEZFW-HNNXBMFYSA-N 2 2 340.475 2.347 10 0 EEAELP C[C@@H]1C[C@H](CCNC(=O)Cn2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000548895776 468154875 /nfs/dbraw/zinc/15/48/75/468154875.db2.gz JMAFOHZOAHIBQD-AEFFLSMTSA-N 2 2 326.444 2.300 10 0 EEAELP C[C@@H]1C[C@H](CCNC(=O)Cn2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000548895776 468154878 /nfs/dbraw/zinc/15/48/78/468154878.db2.gz JMAFOHZOAHIBQD-AEFFLSMTSA-N 2 2 326.444 2.300 10 0 EEAELP COCC[NH+](CCOC)C1CC[NH+](Cc2c(C)nsc2C)CC1 ZINC000519600372 468179609 /nfs/dbraw/zinc/17/96/09/468179609.db2.gz BDZRKRUKWGQGGI-UHFFFAOYSA-N 2 2 341.521 2.319 10 0 EEAELP CCC[N@@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600751054 468647681 /nfs/dbraw/zinc/64/76/81/468647681.db2.gz ZGSSEMDOXWQVQJ-KOHRHEQBSA-N 2 2 340.508 2.323 10 0 EEAELP CCC[N@H+]1CC[C@@H]([NH2+]CC2(O)CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000600751054 468647682 /nfs/dbraw/zinc/64/76/82/468647682.db2.gz ZGSSEMDOXWQVQJ-KOHRHEQBSA-N 2 2 340.508 2.323 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000570564060 468657489 /nfs/dbraw/zinc/65/74/89/468657489.db2.gz FWIPKUMBAUDGBW-NHCUHLMSSA-N 2 2 342.483 2.444 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000570564060 468657496 /nfs/dbraw/zinc/65/74/96/468657496.db2.gz FWIPKUMBAUDGBW-NHCUHLMSSA-N 2 2 342.483 2.444 10 0 EEAELP COc1cc(C[NH+]2CCN(c3nc(C)[nH+]cc3C)CC2)cc(OC)c1 ZINC000583510449 468709827 /nfs/dbraw/zinc/70/98/27/468709827.db2.gz RTHMZLHJHULTGS-UHFFFAOYSA-N 2 2 342.443 2.433 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000584287695 468836964 /nfs/dbraw/zinc/83/69/64/468836964.db2.gz YLGYUKIECMZNCQ-ZIAGYGMSSA-N 2 2 339.361 2.479 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000584287695 468836968 /nfs/dbraw/zinc/83/69/68/468836968.db2.gz YLGYUKIECMZNCQ-ZIAGYGMSSA-N 2 2 339.361 2.479 10 0 EEAELP c1c[nH]c([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)n1 ZINC000572112119 468887067 /nfs/dbraw/zinc/88/70/67/468887067.db2.gz FVJCVQOAXAUPPX-CTWPCTMYSA-N 2 2 339.487 2.305 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612778 468922152 /nfs/dbraw/zinc/92/21/52/468922152.db2.gz VJPYEKOFGDUAIW-SJLPKXTDSA-N 2 2 348.487 2.240 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612778 468922155 /nfs/dbraw/zinc/92/21/55/468922155.db2.gz VJPYEKOFGDUAIW-SJLPKXTDSA-N 2 2 348.487 2.240 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612778 468922158 /nfs/dbraw/zinc/92/21/58/468922158.db2.gz VJPYEKOFGDUAIW-SJLPKXTDSA-N 2 2 348.487 2.240 10 0 EEAELP CC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595612778 468922163 /nfs/dbraw/zinc/92/21/63/468922163.db2.gz VJPYEKOFGDUAIW-SJLPKXTDSA-N 2 2 348.487 2.240 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](C)S(C)(=O)=O)CC1 ZINC000562653720 469021185 /nfs/dbraw/zinc/02/11/85/469021185.db2.gz MJCVPKFPKAKPJA-HOTGVXAUSA-N 2 2 338.517 2.105 10 0 EEAELP COC(=O)CCC1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000610652280 469027427 /nfs/dbraw/zinc/02/74/27/469027427.db2.gz YFBFHUAVSRUHPI-IBGZPJMESA-N 2 2 348.487 2.145 10 0 EEAELP COC(=O)CCC1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000610652280 469027432 /nfs/dbraw/zinc/02/74/32/469027432.db2.gz YFBFHUAVSRUHPI-IBGZPJMESA-N 2 2 348.487 2.145 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000588691676 469158259 /nfs/dbraw/zinc/15/82/59/469158259.db2.gz QEOCYEMYHZMXET-ROUUACIJSA-N 2 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000588691676 469158264 /nfs/dbraw/zinc/15/82/64/469158264.db2.gz QEOCYEMYHZMXET-ROUUACIJSA-N 2 2 328.460 2.082 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000588691676 469158267 /nfs/dbraw/zinc/15/82/67/469158267.db2.gz QEOCYEMYHZMXET-ROUUACIJSA-N 2 2 328.460 2.082 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000588691676 469158273 /nfs/dbraw/zinc/15/82/73/469158273.db2.gz QEOCYEMYHZMXET-ROUUACIJSA-N 2 2 328.460 2.082 10 0 EEAELP CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N(C)CC1C[NH+](C)C1 ZINC000596453720 469270581 /nfs/dbraw/zinc/27/05/81/469270581.db2.gz MJIRMRNGEQOKTL-UHFFFAOYSA-N 2 2 343.427 2.418 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1nc2ccccc2s1 ZINC000625720127 469363434 /nfs/dbraw/zinc/36/34/34/469363434.db2.gz WTBQXVSXKPKKBY-ZDUSSCGKSA-N 2 2 337.489 2.060 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076241 469495604 /nfs/dbraw/zinc/49/56/04/469495604.db2.gz IAVQXZIRZLIYNC-MRXNPFEDSA-N 2 2 344.459 2.091 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076241 469495607 /nfs/dbraw/zinc/49/56/07/469495607.db2.gz IAVQXZIRZLIYNC-MRXNPFEDSA-N 2 2 344.459 2.091 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629583514 469584065 /nfs/dbraw/zinc/58/40/65/469584065.db2.gz BIVMPLLLBNIHEH-RYGJVYDSSA-N 2 2 329.488 2.358 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629583514 469584068 /nfs/dbraw/zinc/58/40/68/469584068.db2.gz BIVMPLLLBNIHEH-RYGJVYDSSA-N 2 2 329.488 2.358 10 0 EEAELP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398674 469642315 /nfs/dbraw/zinc/64/23/15/469642315.db2.gz MHWCMHAIPWCLRY-PMACEKPBSA-N 3 2 344.547 2.438 10 0 EEAELP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398674 469642316 /nfs/dbraw/zinc/64/23/16/469642316.db2.gz MHWCMHAIPWCLRY-PMACEKPBSA-N 3 2 344.547 2.438 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000606949466 469654931 /nfs/dbraw/zinc/65/49/31/469654931.db2.gz FOWLSTJMRHJPGR-OAHLLOKOSA-N 2 2 343.431 2.178 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000606949466 469654932 /nfs/dbraw/zinc/65/49/32/469654932.db2.gz FOWLSTJMRHJPGR-OAHLLOKOSA-N 2 2 343.431 2.178 10 0 EEAELP CN(CCC(=O)NCc1ccc[nH+]c1N1CCCC1)c1cc[nH+]cc1 ZINC000617484817 469692755 /nfs/dbraw/zinc/69/27/55/469692755.db2.gz NFUPHOXYNGTKTO-UHFFFAOYSA-N 2 2 339.443 2.220 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000617762321 469794361 /nfs/dbraw/zinc/79/43/61/469794361.db2.gz MRFKFFFHMCHTTM-QGZVFWFLSA-N 2 2 347.503 2.331 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000617762321 469794364 /nfs/dbraw/zinc/79/43/64/469794364.db2.gz MRFKFFFHMCHTTM-QGZVFWFLSA-N 2 2 347.503 2.331 10 0 EEAELP C[C@H](C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1cn(C)c2ccccc12 ZINC000617764917 469795675 /nfs/dbraw/zinc/79/56/75/469795675.db2.gz LTJYZWZCJXLENJ-INIZCTEOSA-N 2 2 344.503 2.282 10 0 EEAELP C[C@H](C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1cn(C)c2ccccc12 ZINC000617764917 469795679 /nfs/dbraw/zinc/79/56/79/469795679.db2.gz LTJYZWZCJXLENJ-INIZCTEOSA-N 2 2 344.503 2.282 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000617767475 469798588 /nfs/dbraw/zinc/79/85/88/469798588.db2.gz XDUIPHVSPDRWFX-HXUWFJFHSA-N 2 2 331.504 2.280 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CCCc2ccccc21 ZINC000617767475 469798590 /nfs/dbraw/zinc/79/85/90/469798590.db2.gz XDUIPHVSPDRWFX-HXUWFJFHSA-N 2 2 331.504 2.280 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccccc1Cl ZINC000617768797 469798669 /nfs/dbraw/zinc/79/86/69/469798669.db2.gz VKOLJAUNCGLOCA-UHFFFAOYSA-N 2 2 325.884 2.272 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccccc1Cl ZINC000617768797 469798675 /nfs/dbraw/zinc/79/86/75/469798675.db2.gz VKOLJAUNCGLOCA-UHFFFAOYSA-N 2 2 325.884 2.272 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1ccc(Cl)cc1 ZINC000617767776 469799157 /nfs/dbraw/zinc/79/91/57/469799157.db2.gz CCCVPTHZTUHYQF-UHFFFAOYSA-N 2 2 325.884 2.272 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1ccc(Cl)cc1 ZINC000617767776 469799162 /nfs/dbraw/zinc/79/91/62/469799162.db2.gz CCCVPTHZTUHYQF-UHFFFAOYSA-N 2 2 325.884 2.272 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@@H+]1C ZINC000630819695 470003103 /nfs/dbraw/zinc/00/31/03/470003103.db2.gz CGFNAGQUTSEHOC-RBUKOAKNSA-N 2 2 344.503 2.103 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC[N@H+]1C ZINC000630819695 470003107 /nfs/dbraw/zinc/00/31/07/470003107.db2.gz CGFNAGQUTSEHOC-RBUKOAKNSA-N 2 2 344.503 2.103 10 0 EEAELP CCCCNc1cc(C)[nH+]c(NCc2[nH+]ccn2CC(F)(F)F)n1 ZINC000631097131 470067710 /nfs/dbraw/zinc/06/77/10/470067710.db2.gz QEYBMHLNNGKNSW-UHFFFAOYSA-N 2 2 342.369 2.212 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccc(C(F)F)nc2)C1=O ZINC000631110892 470071449 /nfs/dbraw/zinc/07/14/49/470071449.db2.gz LENBUVOZIOMDOF-AWEZNQCLSA-N 2 2 349.385 2.034 10 0 EEAELP Cc1c[nH+]ccc1OC1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC000621976661 470141370 /nfs/dbraw/zinc/14/13/70/470141370.db2.gz DWDYONZMLOWBOM-UHFFFAOYSA-N 2 2 328.416 2.461 10 0 EEAELP [NH3+][C@@H]1CC=C(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000634554830 470266383 /nfs/dbraw/zinc/26/63/83/470266383.db2.gz PYKGLYCJVYBMRM-MRXNPFEDSA-N 2 2 326.400 2.073 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000645982084 470482483 /nfs/dbraw/zinc/48/24/83/470482483.db2.gz ATTTVCDYVRFNPM-WOJBJXKFSA-N 2 2 325.456 2.364 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2cccnc2)C1 ZINC000645982084 470482487 /nfs/dbraw/zinc/48/24/87/470482487.db2.gz ATTTVCDYVRFNPM-WOJBJXKFSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000645982084 470482491 /nfs/dbraw/zinc/48/24/91/470482491.db2.gz ATTTVCDYVRFNPM-WOJBJXKFSA-N 2 2 325.456 2.364 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000645982084 470482494 /nfs/dbraw/zinc/48/24/94/470482494.db2.gz ATTTVCDYVRFNPM-WOJBJXKFSA-N 2 2 325.456 2.364 10 0 EEAELP C[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2(CCC2)CO1 ZINC000649822327 470708646 /nfs/dbraw/zinc/70/86/46/470708646.db2.gz CUBHECFJVCSXNQ-WMZOPIPTSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C2(CCC2)CO1 ZINC000649822327 470708652 /nfs/dbraw/zinc/70/86/52/470708652.db2.gz CUBHECFJVCSXNQ-WMZOPIPTSA-N 2 2 345.487 2.049 10 0 EEAELP O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC000635742562 470734920 /nfs/dbraw/zinc/73/49/20/470734920.db2.gz BDWIWTJWBOMJKA-IAGOWNOFSA-N 2 2 340.427 2.109 10 0 EEAELP O=C(Nc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC000635742562 470734923 /nfs/dbraw/zinc/73/49/23/470734923.db2.gz BDWIWTJWBOMJKA-IAGOWNOFSA-N 2 2 340.427 2.109 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900979 471011564 /nfs/dbraw/zinc/01/15/64/471011564.db2.gz IERURGWECNEFTE-UHOSZYNNSA-N 2 2 329.488 2.464 10 0 EEAELP Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647900979 471011568 /nfs/dbraw/zinc/01/15/68/471011568.db2.gz IERURGWECNEFTE-UHOSZYNNSA-N 2 2 329.488 2.464 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000644784031 471039297 /nfs/dbraw/zinc/03/92/97/471039297.db2.gz YQYKNAWQAWJHPI-UXHICEINSA-N 2 2 332.488 2.228 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000644784031 471039300 /nfs/dbraw/zinc/03/93/00/471039300.db2.gz YQYKNAWQAWJHPI-UXHICEINSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000644784031 471039304 /nfs/dbraw/zinc/03/93/04/471039304.db2.gz YQYKNAWQAWJHPI-UXHICEINSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000644784031 471039309 /nfs/dbraw/zinc/03/93/09/471039309.db2.gz YQYKNAWQAWJHPI-UXHICEINSA-N 2 2 332.488 2.228 10 0 EEAELP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cn(C3CCC3)nn2)c1 ZINC000657315052 471095909 /nfs/dbraw/zinc/09/59/09/471095909.db2.gz GZHAFLCPGMAQFI-UHFFFAOYSA-N 2 2 329.448 2.233 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162123 471104932 /nfs/dbraw/zinc/10/49/32/471104932.db2.gz KUARVVPJYVYILO-BAESOJJISA-N 2 2 325.815 2.078 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162123 471104940 /nfs/dbraw/zinc/10/49/40/471104940.db2.gz KUARVVPJYVYILO-BAESOJJISA-N 2 2 325.815 2.078 10 0 EEAELP COc1cccc(N2CC[C@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000657343249 471105737 /nfs/dbraw/zinc/10/57/37/471105737.db2.gz LQEIYWUQYWYUDW-OAHLLOKOSA-N 2 2 326.444 2.454 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cncc(Br)c1C ZINC000657345986 471107593 /nfs/dbraw/zinc/10/75/93/471107593.db2.gz UIMIIQHUZYAVLA-AWEZNQCLSA-N 2 2 342.281 2.353 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cncc(Br)c1C ZINC000657345986 471107597 /nfs/dbraw/zinc/10/75/97/471107597.db2.gz UIMIIQHUZYAVLA-AWEZNQCLSA-N 2 2 342.281 2.353 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648440120 471206761 /nfs/dbraw/zinc/20/67/61/471206761.db2.gz MPNKSAUEOXZNDC-WOJBJXKFSA-N 2 2 343.515 2.466 10 0 EEAELP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648440120 471206766 /nfs/dbraw/zinc/20/67/66/471206766.db2.gz MPNKSAUEOXZNDC-WOJBJXKFSA-N 2 2 343.515 2.466 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000657798493 471234970 /nfs/dbraw/zinc/23/49/70/471234970.db2.gz LOLRNINLPBVIBX-IBGZPJMESA-N 2 2 325.456 2.298 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+]Cc2cccc(O)c2)C1 ZINC000657798493 471234973 /nfs/dbraw/zinc/23/49/73/471234973.db2.gz LOLRNINLPBVIBX-IBGZPJMESA-N 2 2 325.456 2.298 10 0 EEAELP FCC1(CF)CC([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657863438 471242421 /nfs/dbraw/zinc/24/24/21/471242421.db2.gz ITZXZOMYVVPFEW-UHFFFAOYSA-N 3 2 338.446 2.271 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357366 471278488 /nfs/dbraw/zinc/27/84/88/471278488.db2.gz LLWHKOJMRDXSQD-OSGQAZFXSA-N 2 2 347.503 2.110 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357366 471278489 /nfs/dbraw/zinc/27/84/89/471278489.db2.gz LLWHKOJMRDXSQD-OSGQAZFXSA-N 2 2 347.503 2.110 10 0 EEAELP Cc1ccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c(OCC[NH+](C)C)c1 ZINC000669004659 471344478 /nfs/dbraw/zinc/34/44/78/471344478.db2.gz XQKWLHUWGIQAQB-AWEZNQCLSA-N 2 2 342.443 2.402 10 0 EEAELP Cc1ccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c(OCC[NH+](C)C)c1 ZINC000669004659 471344485 /nfs/dbraw/zinc/34/44/85/471344485.db2.gz XQKWLHUWGIQAQB-AWEZNQCLSA-N 2 2 342.443 2.402 10 0 EEAELP CO[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCOC1 ZINC000660481441 471360528 /nfs/dbraw/zinc/36/05/28/471360528.db2.gz NVSYZGYDVZCTHC-XYJFISCASA-N 2 2 333.476 2.450 10 0 EEAELP CO[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)[C@H]1CCOC1 ZINC000660481441 471360532 /nfs/dbraw/zinc/36/05/32/471360532.db2.gz NVSYZGYDVZCTHC-XYJFISCASA-N 2 2 333.476 2.450 10 0 EEAELP C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1[nH+]ccn1C ZINC000660499432 471369101 /nfs/dbraw/zinc/36/91/01/471369101.db2.gz GKGWZRAELZFGBR-AWEZNQCLSA-N 2 2 333.480 2.435 10 0 EEAELP Brc1cc(C[NH2+]CC23CC(C2)C[NH2+]3)cc2c1OCO2 ZINC000663498958 471401732 /nfs/dbraw/zinc/40/17/32/471401732.db2.gz WCMDPIXVPSSLTH-UHFFFAOYSA-N 2 2 325.206 2.019 10 0 EEAELP C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000655710140 471450629 /nfs/dbraw/zinc/45/06/29/471450629.db2.gz CRVZHOVPMHATDG-DLBZAZTESA-N 3 2 334.533 2.467 10 0 EEAELP CNC(=O)C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655764942 471475220 /nfs/dbraw/zinc/47/52/20/471475220.db2.gz VOXQHMXLPZSYCG-RTBURBONSA-N 2 2 345.487 2.097 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)s1 ZINC000653116935 471496915 /nfs/dbraw/zinc/49/69/15/471496915.db2.gz YXRWDCONSYZYBI-ROUUACIJSA-N 2 2 347.528 2.485 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC000659353801 471590238 /nfs/dbraw/zinc/59/02/38/471590238.db2.gz MOGRPDWWHFUWHE-WBAXXEDZSA-N 2 2 342.443 2.105 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000661100397 471625056 /nfs/dbraw/zinc/62/50/56/471625056.db2.gz QJWSUDRKBLXZKI-WBVHZDCISA-N 2 2 341.459 2.302 10 0 EEAELP C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000661100397 471625059 /nfs/dbraw/zinc/62/50/59/471625059.db2.gz QJWSUDRKBLXZKI-WBVHZDCISA-N 2 2 341.459 2.302 10 0 EEAELP COc1ccc(C(C)C)cc1C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000653493278 471638947 /nfs/dbraw/zinc/63/89/47/471638947.db2.gz QLZICVPWGZBWQA-UHFFFAOYSA-N 2 2 333.476 2.024 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)Nc1cc[nH+]cc1N(C)C)CC(C)C ZINC000670078815 471671148 /nfs/dbraw/zinc/67/11/48/471671148.db2.gz ZLSAWLNNJXHQOH-HNNXBMFYSA-N 2 2 335.496 2.448 10 0 EEAELP [NH3+]C1(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCCC1 ZINC000659575265 471683170 /nfs/dbraw/zinc/68/31/70/471683170.db2.gz XCCWOFHMANJBQF-OAHLLOKOSA-N 2 2 345.491 2.380 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2cnccc2c1 ZINC000667215685 471697775 /nfs/dbraw/zinc/69/77/75/471697775.db2.gz MVAGEEDRCMLHBZ-UHFFFAOYSA-N 2 2 329.448 2.240 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2cnccc2c1 ZINC000667215685 471697778 /nfs/dbraw/zinc/69/77/78/471697778.db2.gz MVAGEEDRCMLHBZ-UHFFFAOYSA-N 2 2 329.448 2.240 10 0 EEAELP CC(C)C(=O)NC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667503086 471802553 /nfs/dbraw/zinc/80/25/53/471802553.db2.gz ZJXOBZQIMSDBRV-UHFFFAOYSA-N 2 2 327.432 2.004 10 0 EEAELP CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667566787 471825723 /nfs/dbraw/zinc/82/57/23/471825723.db2.gz HLLBVZVYSBBBSJ-HNNXBMFYSA-N 2 2 327.432 2.006 10 0 EEAELP O[C@H](C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000667679927 471864727 /nfs/dbraw/zinc/86/47/27/471864727.db2.gz RYHWKLKKMIFOLY-OAHLLOKOSA-N 2 2 340.349 2.403 10 0 EEAELP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665294503 471993730 /nfs/dbraw/zinc/99/37/30/471993730.db2.gz PZSWCKJINNTYIL-UHFFFAOYSA-N 3 2 349.523 2.410 10 0 EEAELP O[C@@H]([C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668068746 471996694 /nfs/dbraw/zinc/99/66/94/471996694.db2.gz VZEOQJBTKIZJRL-DOMZBBRYSA-N 2 2 340.349 2.403 10 0 EEAELP O[C@@H]([C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(F)(F)F ZINC000668068746 471996702 /nfs/dbraw/zinc/99/67/02/471996702.db2.gz VZEOQJBTKIZJRL-DOMZBBRYSA-N 2 2 340.349 2.403 10 0 EEAELP FC(F)(F)c1csc([C@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662278262 472053282 /nfs/dbraw/zinc/05/32/82/472053282.db2.gz DHDBLFWOTBOPQE-QWRGUYRKSA-N 2 2 335.395 2.330 10 0 EEAELP FC(F)(F)c1csc([C@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662278262 472053284 /nfs/dbraw/zinc/05/32/84/472053284.db2.gz DHDBLFWOTBOPQE-QWRGUYRKSA-N 2 2 335.395 2.330 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)CCO1 ZINC000662320041 472068780 /nfs/dbraw/zinc/06/87/80/472068780.db2.gz CZQAGUDJJQXPGS-MRXNPFEDSA-N 2 2 346.475 2.175 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCn2c3ccccc3[nH]c2=O)CCO1 ZINC000662320041 472068786 /nfs/dbraw/zinc/06/87/86/472068786.db2.gz CZQAGUDJJQXPGS-MRXNPFEDSA-N 2 2 346.475 2.175 10 0 EEAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320654 472070451 /nfs/dbraw/zinc/07/04/51/472070451.db2.gz VSBRAXDNNUXLSZ-XDNAFOTISA-N 2 2 339.524 2.207 10 0 EEAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320654 472070456 /nfs/dbraw/zinc/07/04/56/472070456.db2.gz VSBRAXDNNUXLSZ-XDNAFOTISA-N 2 2 339.524 2.207 10 0 EEAELP Fc1ccc([C@@H]([NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)C2CC2)cc1 ZINC000678685520 485480137 /nfs/dbraw/zinc/48/01/37/485480137.db2.gz IIPCLZFZPKUDRD-UXHICEINSA-N 2 2 347.478 2.273 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000651195478 485533763 /nfs/dbraw/zinc/53/37/63/485533763.db2.gz NZHLFVUQNPVQPX-UHFFFAOYSA-N 2 2 347.507 2.200 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000651195478 485533770 /nfs/dbraw/zinc/53/37/70/485533770.db2.gz NZHLFVUQNPVQPX-UHFFFAOYSA-N 2 2 347.507 2.200 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](O)CC1 ZINC000559480220 485563104 /nfs/dbraw/zinc/56/31/04/485563104.db2.gz XBJFLWOBKQWVCX-BBRMVZONSA-N 2 2 328.416 2.251 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](O)CC1 ZINC000559480220 485563111 /nfs/dbraw/zinc/56/31/11/485563111.db2.gz XBJFLWOBKQWVCX-BBRMVZONSA-N 2 2 328.416 2.251 10 0 EEAELP Cc1ccc(C[C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000664182966 485600144 /nfs/dbraw/zinc/60/01/44/485600144.db2.gz KQIIDHVGGZLRHW-CQSZACIVSA-N 2 2 340.537 2.170 10 0 EEAELP Cc1ccc(C[C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664182966 485600149 /nfs/dbraw/zinc/60/01/49/485600149.db2.gz KQIIDHVGGZLRHW-CQSZACIVSA-N 2 2 340.537 2.170 10 0 EEAELP CC[N@H+](Cc1cn(C)nn1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679776181 485811618 /nfs/dbraw/zinc/81/16/18/485811618.db2.gz RZCFUISQLHZAOO-UHFFFAOYSA-N 2 2 343.475 2.312 10 0 EEAELP CC[N@@H+](Cc1cn(C)nn1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679776181 485811625 /nfs/dbraw/zinc/81/16/25/485811625.db2.gz RZCFUISQLHZAOO-UHFFFAOYSA-N 2 2 343.475 2.312 10 0 EEAELP O[C@@H](C[NH+]1CC(CC(F)(F)F)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000680535252 485996713 /nfs/dbraw/zinc/99/67/13/485996713.db2.gz MOHOSHBYNAGZJL-MRXNPFEDSA-N 2 2 328.378 2.290 10 0 EEAELP O[C@@H](C[NH+]1CC(CC(F)(F)F)C1)C[N@H+]1CCc2ccccc2C1 ZINC000680535252 485996719 /nfs/dbraw/zinc/99/67/19/485996719.db2.gz MOHOSHBYNAGZJL-MRXNPFEDSA-N 2 2 328.378 2.290 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000682220419 486437803 /nfs/dbraw/zinc/43/78/03/486437803.db2.gz FPQIDGJRXWBWFK-VQTJNVASSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000682220419 486437805 /nfs/dbraw/zinc/43/78/05/486437805.db2.gz FPQIDGJRXWBWFK-VQTJNVASSA-N 2 2 332.488 2.370 10 0 EEAELP O=C(C[NH+]1CC2(C1)CC(F)(F)C2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000677734579 486486474 /nfs/dbraw/zinc/48/64/74/486486474.db2.gz TVYJQXPNPMBDNL-UHFFFAOYSA-N 2 2 349.425 2.062 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000751482173 577753922 /nfs/dbraw/zinc/75/39/22/577753922.db2.gz HWRQWYUIUQJSOC-QGZVFWFLSA-N 2 2 331.416 2.340 10 0 EEAELP CCCCCC[C@@H](C)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000746450063 577927903 /nfs/dbraw/zinc/92/79/03/577927903.db2.gz IYLKTFVMGQHOIW-MRXNPFEDSA-N 2 2 335.496 2.017 10 0 EEAELP Cc1cc(OC(C)C)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000925967737 674985005 /nfs/dbraw/zinc/98/50/05/674985005.db2.gz XQCJWBKBFJLAHT-UHFFFAOYSA-N 2 2 334.464 2.327 10 0 EEAELP O=S(=O)(CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925563539 684472808 /nfs/dbraw/zinc/47/28/08/684472808.db2.gz CXXCRXZGVQJCTL-MSOLQXFVSA-N 2 2 336.501 2.218 10 0 EEAELP Cc1nc(C[N@H+]2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c(C)s1 ZINC001485578273 1191845813 /nfs/dbraw/zinc/84/58/13/1191845813.db2.gz WEVSSVCBVDEBME-HNNXBMFYSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c(C)s1 ZINC001485578273 1191845815 /nfs/dbraw/zinc/84/58/15/1191845815.db2.gz WEVSSVCBVDEBME-HNNXBMFYSA-N 2 2 338.521 2.038 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ncc(C)s2)CC1(C)C ZINC001485582024 1191848313 /nfs/dbraw/zinc/84/83/13/1191848313.db2.gz MDYLXGHHUYQYRR-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@H]1C[NH+](Cc2ncc(C)s2)CC1(C)C ZINC001485582024 1191848316 /nfs/dbraw/zinc/84/83/16/1191848316.db2.gz MDYLXGHHUYQYRR-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1C[N@H+](Cc2ncc(C)s2)CC1(C)C ZINC001485582024 1191848317 /nfs/dbraw/zinc/84/83/17/1191848317.db2.gz MDYLXGHHUYQYRR-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@H]1C[N@@H+](Cc2ncc(C)s2)CC1(C)C ZINC001485582024 1191848319 /nfs/dbraw/zinc/84/83/19/1191848319.db2.gz MDYLXGHHUYQYRR-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001670491524 1176830720 /nfs/dbraw/zinc/83/07/20/1176830720.db2.gz ZNKHZVLYJGICER-RYTMFUSVSA-N 2 2 330.476 2.286 10 0 EEAELP Cc1ncsc1C[NH2+]CCN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001266733841 1177322541 /nfs/dbraw/zinc/32/25/41/1177322541.db2.gz DNYLXYQHAPJFNH-OAHLLOKOSA-N 2 2 349.504 2.483 10 0 EEAELP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266754710 1177356706 /nfs/dbraw/zinc/35/67/06/1177356706.db2.gz GSDQWOZZKDMARK-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP CCCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266754710 1177356716 /nfs/dbraw/zinc/35/67/16/1177356716.db2.gz GSDQWOZZKDMARK-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266900982 1177757396 /nfs/dbraw/zinc/75/73/96/1177757396.db2.gz BCEABQMLJBQGDB-MIPIHPQWSA-N 2 2 342.487 2.165 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266900982 1177757401 /nfs/dbraw/zinc/75/74/01/1177757401.db2.gz BCEABQMLJBQGDB-MIPIHPQWSA-N 2 2 342.487 2.165 10 0 EEAELP CN(CC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F)C(=O)Cc1[nH]cc[nH+]1 ZINC001266911740 1177784025 /nfs/dbraw/zinc/78/40/25/1177784025.db2.gz RWIRCCXKJHGFNI-YOEHRIQHSA-N 2 2 348.397 2.049 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001480922986 1178455115 /nfs/dbraw/zinc/45/51/15/1178455115.db2.gz YCRDJWUQQRKVHZ-KDOFPFPSSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001480922986 1178455121 /nfs/dbraw/zinc/45/51/21/1178455121.db2.gz YCRDJWUQQRKVHZ-KDOFPFPSSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001480922986 1178455123 /nfs/dbraw/zinc/45/51/23/1178455123.db2.gz YCRDJWUQQRKVHZ-KDOFPFPSSA-N 2 2 326.444 2.324 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001480922986 1178455128 /nfs/dbraw/zinc/45/51/28/1178455128.db2.gz YCRDJWUQQRKVHZ-KDOFPFPSSA-N 2 2 326.444 2.324 10 0 EEAELP CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1nc2ccccc2o1 ZINC001267320742 1178752233 /nfs/dbraw/zinc/75/22/33/1178752233.db2.gz UKGHZRHGEGPTDZ-UHFFFAOYSA-N 2 2 341.415 2.053 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1nc2ccccc2o1 ZINC001267320742 1178752239 /nfs/dbraw/zinc/75/22/39/1178752239.db2.gz UKGHZRHGEGPTDZ-UHFFFAOYSA-N 2 2 341.415 2.053 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1CC[C@H]1CCCC1(F)F ZINC001481073609 1179684509 /nfs/dbraw/zinc/68/45/09/1179684509.db2.gz PFWHKABAAQDJIG-HUUCEWRRSA-N 2 2 340.418 2.289 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1CC[C@H]1CCCC1(F)F ZINC001481073609 1179684510 /nfs/dbraw/zinc/68/45/10/1179684510.db2.gz PFWHKABAAQDJIG-HUUCEWRRSA-N 2 2 340.418 2.289 10 0 EEAELP C[C@H](C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1)[NH+]1CCCCCC1 ZINC001481288000 1180871558 /nfs/dbraw/zinc/87/15/58/1180871558.db2.gz RIZZMAKHHSALMA-OAHLLOKOSA-N 2 2 348.491 2.365 10 0 EEAELP C[C@@H](C[NH2+]CCc1cccs1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268074540 1181670807 /nfs/dbraw/zinc/67/08/07/1181670807.db2.gz AORYWJBLNCTRGH-AWEZNQCLSA-N 2 2 334.489 2.093 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1C[NH+](C[C@@H]2CCCC(F)(F)C2)C1 ZINC001481657287 1182146796 /nfs/dbraw/zinc/14/67/96/1182146796.db2.gz SMTHYEFJCQXVBU-CYBMUJFWSA-N 2 2 340.418 2.134 10 0 EEAELP C[C@H](CC[NH2+]Cc1cncs1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268383416 1182416537 /nfs/dbraw/zinc/41/65/37/1182416537.db2.gz BAPHBJHUGOPJIM-GFCCVEGCSA-N 2 2 329.429 2.089 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)CCc2[nH+]ccn2C)c(C)s1 ZINC001268385831 1182424149 /nfs/dbraw/zinc/42/41/49/1182424149.db2.gz IWEOWDCMTOVQGA-LBPRGKRZSA-N 2 2 349.504 2.111 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(Cl)c1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001268407458 1182527541 /nfs/dbraw/zinc/52/75/41/1182527541.db2.gz ZGMVXGXGWRREID-LLVKDONJSA-N 2 2 338.814 2.429 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cs1 ZINC001268408096 1182532115 /nfs/dbraw/zinc/53/21/15/1182532115.db2.gz XLTWVQLWPWMSTR-OLZOCXBDSA-N 2 2 335.477 2.284 10 0 EEAELP CC[C@H](F)C[NH2+]CC[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001268408445 1182536997 /nfs/dbraw/zinc/53/69/97/1182536997.db2.gz LHKATKBHEQZXPF-GJZGRUSLSA-N 2 2 334.439 2.418 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH2+]CC[C@@H](C)NC(=O)Cc1[nH]c[nH+]c1C ZINC001268419032 1182584027 /nfs/dbraw/zinc/58/40/27/1182584027.db2.gz JHLDPKDRIQEFGR-CYBMUJFWSA-N 2 2 346.479 2.031 10 0 EEAELP C[C@](C[NH2+]CCC1CC1)(NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001481933603 1182981831 /nfs/dbraw/zinc/98/18/31/1182981831.db2.gz MNOGXSYXNQXSNH-DNVCBOLYSA-N 2 2 330.476 2.120 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482058518 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QIVOAEOUJOMSBY-PMSLMXJFSA-N 2 2 342.487 2.477 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001268952091 1183846224 /nfs/dbraw/zinc/84/62/24/1183846224.db2.gz QIVOAEOUJOMSBY-PMSLMXJFSA-N 2 2 342.487 2.477 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](CCOCC2CCC2)C1)n1cc[nH+]c1 ZINC001269282268 1184136019 /nfs/dbraw/zinc/13/60/19/1184136019.db2.gz YTFHGNFQPIKGQK-WMZOPIPTSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@H]1CC[N@@H+](CCOCC2CCC2)C1)n1cc[nH+]c1 ZINC001269282268 1184136024 /nfs/dbraw/zinc/13/60/24/1184136024.db2.gz YTFHGNFQPIKGQK-WMZOPIPTSA-N 2 2 348.491 2.184 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCC[C@@H](CC[NH2+]Cc2cncs2)C1 ZINC001269742184 1184580016 /nfs/dbraw/zinc/58/00/16/1184580016.db2.gz SPSGCAOJJSKMNZ-AWEZNQCLSA-N 2 2 347.488 2.217 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](CC[NH2+]Cc2cncs2)C1 ZINC001269742184 1184580021 /nfs/dbraw/zinc/58/00/21/1184580021.db2.gz SPSGCAOJJSKMNZ-AWEZNQCLSA-N 2 2 347.488 2.217 10 0 EEAELP O=C(NCc1ccc(C[NH2+]CCCF)cc1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001270064940 1184823038 /nfs/dbraw/zinc/82/30/38/1184823038.db2.gz BFXMHCHYHSLVOC-QGZVFWFLSA-N 2 2 344.434 2.211 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]C[C@@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482335062 1185425501 /nfs/dbraw/zinc/42/55/01/1185425501.db2.gz GQEOEHCKPYMEPE-GFCCVEGCSA-N 2 2 333.436 2.009 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1 ZINC001271136280 1185954949 /nfs/dbraw/zinc/95/49/49/1185954949.db2.gz CWNFBMIQYFGOJU-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@@H](C)C[NH2+]CCc1ccccc1 ZINC001271136280 1185954956 /nfs/dbraw/zinc/95/49/56/1185954956.db2.gz CWNFBMIQYFGOJU-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001271154562 1185978801 /nfs/dbraw/zinc/97/88/01/1185978801.db2.gz HLPXLTPHWOIRDJ-HNNXBMFYSA-N 2 2 328.460 2.194 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc2cccnc21)N(C)C(=O)Cn1cc[nH+]c1 ZINC001271228229 1186093595 /nfs/dbraw/zinc/09/35/95/1186093595.db2.gz PXGRNSFWAJNNQO-HNNXBMFYSA-N 2 2 337.427 2.068 10 0 EEAELP CC(C)C[C@@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001271295112 1186122611 /nfs/dbraw/zinc/12/26/11/1186122611.db2.gz SUERZTHKLRLXCV-NMJJRHIFSA-N 2 2 338.883 2.397 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1CC[NH2+]Cc1cncc(F)c1 ZINC001271592133 1186328159 /nfs/dbraw/zinc/32/81/59/1186328159.db2.gz PTNDIKBOOXFNIS-MRXNPFEDSA-N 2 2 345.422 2.047 10 0 EEAELP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)Cn2cc[nH+]c2)C(C)C)c1 ZINC001482571117 1186908984 /nfs/dbraw/zinc/90/89/84/1186908984.db2.gz IUMNVPHOOVKXOS-GOSISDBHSA-N 2 2 328.460 2.431 10 0 EEAELP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482846155 1187765022 /nfs/dbraw/zinc/76/50/22/1187765022.db2.gz ROLZQBJVBAYTMJ-HOCLYGCPSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)CCn2cc[nH+]c2)sc1C ZINC001482860377 1187773716 /nfs/dbraw/zinc/77/37/16/1187773716.db2.gz XEXXZCPKSFKKAS-GFCCVEGCSA-N 2 2 335.477 2.031 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(Cl)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001482906493 1187832338 /nfs/dbraw/zinc/83/23/38/1187832338.db2.gz ZPRNLOYAVBKCQS-LBPRGKRZSA-N 2 2 338.814 2.360 10 0 EEAELP CCN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)CCc1[nH+]ccn1C ZINC001482938806 1187861433 /nfs/dbraw/zinc/86/14/33/1187861433.db2.gz DYVJCPXDDJXKLW-GOSISDBHSA-N 2 2 340.471 2.478 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1 ZINC001483017638 1188003843 /nfs/dbraw/zinc/00/38/43/1188003843.db2.gz POTVCSNSUJVJKG-OWOJBTEDSA-N 2 2 334.370 2.083 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C/C[NH2+]Cc2ccccc2)c[nH+]1 ZINC001483021195 1188009972 /nfs/dbraw/zinc/00/99/72/1188009972.db2.gz ATPGATBNXXCLKD-BQYQJAHWSA-N 2 2 326.444 2.389 10 0 EEAELP Cc1csc(C[NH2+]C/C=C/CNC(=O)C[C@H](C)n2cc[nH+]c2)n1 ZINC001483064546 1188385624 /nfs/dbraw/zinc/38/56/24/1188385624.db2.gz COXNJRCFLIHZMM-XGACYXMMSA-N 2 2 333.461 2.061 10 0 EEAELP CCCCC[N@@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272859507 1193580993 /nfs/dbraw/zinc/58/09/93/1193580993.db2.gz ROXDNOOTQRRYNV-KRWDZBQOSA-N 2 2 339.524 2.258 10 0 EEAELP CCCCC[N@H+]1CCOC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272859507 1193580995 /nfs/dbraw/zinc/58/09/95/1193580995.db2.gz ROXDNOOTQRRYNV-KRWDZBQOSA-N 2 2 339.524 2.258 10 0 EEAELP C[C@H](C[NH2+]Cc1cc2ccccc2s1)NC(=O)Cn1cc[nH+]c1 ZINC001483199385 1189096525 /nfs/dbraw/zinc/09/65/25/1189096525.db2.gz GDPFJWUABSBLMB-CYBMUJFWSA-N 2 2 328.441 2.392 10 0 EEAELP CCOCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001691633146 1189326412 /nfs/dbraw/zinc/32/64/12/1189326412.db2.gz XFMCKJHKTQUAPN-DLBZAZTESA-N 2 2 336.480 2.232 10 0 EEAELP CCOCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001272262265 1189578561 /nfs/dbraw/zinc/57/85/61/1189578561.db2.gz OHDZQSNQLRPFQX-IRXDYDNUSA-N 2 2 344.459 2.167 10 0 EEAELP C[C@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001409474595 1189792055 /nfs/dbraw/zinc/79/20/55/1189792055.db2.gz QNZUVTJLURLQGW-STQMWFEESA-N 2 2 328.407 2.191 10 0 EEAELP CO[C@H](C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001483240593 1190270488 /nfs/dbraw/zinc/27/04/88/1190270488.db2.gz TXOHLKSHJMPLJL-SCLBCKFNSA-N 2 2 344.459 2.476 10 0 EEAELP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483359553 1190403251 /nfs/dbraw/zinc/40/32/51/1190403251.db2.gz XIJFTKSQGBSALK-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](C[N@@H+](C)CC1=CCCCC1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483359553 1190403254 /nfs/dbraw/zinc/40/32/54/1190403254.db2.gz XIJFTKSQGBSALK-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP CN(CCC[NH2+]CCc1ccccc1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483491948 1190505802 /nfs/dbraw/zinc/50/58/02/1190505802.db2.gz AVGSQMXAEORVTO-QZTJIDSGSA-N 2 2 340.471 2.204 10 0 EEAELP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001483569541 1190558610 /nfs/dbraw/zinc/55/86/10/1190558610.db2.gz AJDGPXIHVJRSBV-ZBPSDOBBSA-N 2 2 330.476 2.286 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCCc2ccccc2Cl)CC1 ZINC001670864225 1190597888 /nfs/dbraw/zinc/59/78/88/1190597888.db2.gz REXAWXKNZNRTOA-UHFFFAOYSA-N 2 2 346.862 2.477 10 0 EEAELP Cc1nc(C[NH2+]CC2(NC(=O)Cn3cc[nH+]c3)CCCCC2)cs1 ZINC001409797115 1190628708 /nfs/dbraw/zinc/62/87/08/1190628708.db2.gz YTJQNXRJJSTSBW-UHFFFAOYSA-N 2 2 347.488 2.257 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cscn1 ZINC001409838367 1190669940 /nfs/dbraw/zinc/66/99/40/1190669940.db2.gz ZFXIFHWNJYMWOW-INIZCTEOSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CCCCC[N@H+]1Cc1cscn1 ZINC001409838367 1190669943 /nfs/dbraw/zinc/66/99/43/1190669943.db2.gz ZFXIFHWNJYMWOW-INIZCTEOSA-N 2 2 347.488 2.209 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483653379 1190710115 /nfs/dbraw/zinc/71/01/15/1190710115.db2.gz QEKKECAGXUIWEZ-IDOMTICXSA-N 2 2 330.476 2.309 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@H]1CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483653379 1190710118 /nfs/dbraw/zinc/71/01/18/1190710118.db2.gz QEKKECAGXUIWEZ-IDOMTICXSA-N 2 2 330.476 2.309 10 0 EEAELP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)Cc3c[nH+]cn3C)CC2)c1 ZINC001483785073 1191026721 /nfs/dbraw/zinc/02/67/21/1191026721.db2.gz XPIIDYLEHRCDPE-HNNXBMFYSA-N 2 2 326.444 2.271 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H](C[NH2+]CCC(F)(F)F)C1CCCC1 ZINC001484004839 1191149346 /nfs/dbraw/zinc/14/93/46/1191149346.db2.gz DPWMABUGQSMKPH-CQSZACIVSA-N 2 2 346.397 2.490 10 0 EEAELP CCc1nc(C[N@H+]2CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C2)cs1 ZINC001484067196 1191186786 /nfs/dbraw/zinc/18/67/86/1191186786.db2.gz IDINUZMRSBSJPT-RHSMWYFYSA-N 2 2 338.521 2.126 10 0 EEAELP CCc1nc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C2)cs1 ZINC001484067196 1191186789 /nfs/dbraw/zinc/18/67/89/1191186789.db2.gz IDINUZMRSBSJPT-RHSMWYFYSA-N 2 2 338.521 2.126 10 0 EEAELP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001484113544 1191213980 /nfs/dbraw/zinc/21/39/80/1191213980.db2.gz ARMVIEZGLOOECJ-GPMSIDNRSA-N 2 2 332.492 2.398 10 0 EEAELP C[C@]1(C[NH2+]CC[C@H]2CCCO2)CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001484127534 1191224752 /nfs/dbraw/zinc/22/47/52/1191224752.db2.gz ANOYKMIKJIYFJK-IEBWSBKVSA-N 2 2 348.491 2.061 10 0 EEAELP CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C(C)(C)n2c[nH+]c(C)c2)C1 ZINC001484199222 1191270379 /nfs/dbraw/zinc/27/03/79/1191270379.db2.gz QGFVDLOLFLQZQV-CQSZACIVSA-N 2 2 342.434 2.410 10 0 EEAELP CC/C=C\CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001484595274 1191436206 /nfs/dbraw/zinc/43/62/06/1191436206.db2.gz HPDQMOIYKRCLQW-KKSLTYSGSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001484595274 1191436207 /nfs/dbraw/zinc/43/62/07/1191436207.db2.gz HPDQMOIYKRCLQW-KKSLTYSGSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001484595274 1191436210 /nfs/dbraw/zinc/43/62/10/1191436210.db2.gz HPDQMOIYKRCLQW-KKSLTYSGSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001484595274 1191436212 /nfs/dbraw/zinc/43/62/12/1191436212.db2.gz HPDQMOIYKRCLQW-KKSLTYSGSA-N 2 2 337.508 2.034 10 0 EEAELP CCOCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001484819664 1191539494 /nfs/dbraw/zinc/53/94/94/1191539494.db2.gz UABKLMUNJJGYKQ-UHFFFAOYSA-N 2 2 336.480 2.085 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1nc2ccccc2o1 ZINC001485229601 1191698872 /nfs/dbraw/zinc/69/88/72/1191698872.db2.gz ZDADDTZJVBQOCL-STQMWFEESA-N 2 2 341.415 2.016 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001485372716 1191770128 /nfs/dbraw/zinc/77/01/28/1191770128.db2.gz BJZFWAIEDSJHLV-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001485372716 1191770130 /nfs/dbraw/zinc/77/01/30/1191770130.db2.gz BJZFWAIEDSJHLV-OAHLLOKOSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1nc(C[NH2+]CC2(NC(=O)Cn3cc[nH+]c3)CCCCC2)oc1C ZINC001485458804 1191797359 /nfs/dbraw/zinc/79/73/59/1191797359.db2.gz GLMKFIAVGUEVRR-UHFFFAOYSA-N 2 2 345.447 2.097 10 0 EEAELP Cc1ncsc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001485484576 1191800549 /nfs/dbraw/zinc/80/05/49/1191800549.db2.gz IQSUGLXNWIIATR-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1ncsc1C[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1 ZINC001485484576 1191800550 /nfs/dbraw/zinc/80/05/50/1191800550.db2.gz IQSUGLXNWIIATR-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C(F)(F)F ZINC001486254812 1193782917 /nfs/dbraw/zinc/78/29/17/1193782917.db2.gz YDHLUPRZPJPITL-GXTWGEPZSA-N 2 2 346.397 2.369 10 0 EEAELP CCCC[NH2+]C[C@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C(F)(F)F ZINC001486254812 1193782925 /nfs/dbraw/zinc/78/29/25/1193782925.db2.gz YDHLUPRZPJPITL-GXTWGEPZSA-N 2 2 346.397 2.369 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C\Cl)C(=O)CCc1c[nH+]cn1C ZINC001733142148 1197535237 /nfs/dbraw/zinc/53/52/37/1197535237.db2.gz ULSJQUXPGOFBRN-XYOKQWHBSA-N 2 2 333.263 2.110 10 0 EEAELP Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)cs1 ZINC001410218311 1197611531 /nfs/dbraw/zinc/61/15/31/1197611531.db2.gz CRADFPQRWYWLSM-BPLDGKMQSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001410439734 1197900835 /nfs/dbraw/zinc/90/08/35/1197900835.db2.gz BGRBJDJCPHGGQA-NWDGAFQWSA-N 2 2 349.504 2.298 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)s1 ZINC001410439734 1197900841 /nfs/dbraw/zinc/90/08/41/1197900841.db2.gz BGRBJDJCPHGGQA-NWDGAFQWSA-N 2 2 349.504 2.298 10 0 EEAELP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001410482753 1198031708 /nfs/dbraw/zinc/03/17/08/1198031708.db2.gz FFXBUIJFCKTWRJ-CYBMUJFWSA-N 2 2 329.448 2.027 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]Cc1c(F)cccc1F ZINC001410492657 1198046363 /nfs/dbraw/zinc/04/63/63/1198046363.db2.gz KMSQNRAUUAJUJT-NSHDSACASA-N 2 2 336.386 2.176 10 0 EEAELP [NH3+]C[C@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)C[C@H]1C(F)(F)F ZINC000872147355 1198054767 /nfs/dbraw/zinc/05/47/67/1198054767.db2.gz IBLSOKYUCOOLBP-NWDGAFQWSA-N 2 2 342.365 2.201 10 0 EEAELP [NH3+]C[C@H]1C[N@@H+](CCCn2c3ccccc3[nH]c2=O)C[C@H]1C(F)(F)F ZINC000872147355 1198054771 /nfs/dbraw/zinc/05/47/71/1198054771.db2.gz IBLSOKYUCOOLBP-NWDGAFQWSA-N 2 2 342.365 2.201 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C/Cl)[C@H]2C1 ZINC001410908519 1198574038 /nfs/dbraw/zinc/57/40/38/1198574038.db2.gz CNPPILZBYXOGQY-FWFWWTGUSA-N 2 2 336.867 2.242 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)[C@@H]2C)co1 ZINC001410919239 1198583282 /nfs/dbraw/zinc/58/32/82/1198583282.db2.gz GDSIRWVJHBHXFN-YJBOKZPZSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)[C@@H]2C)co1 ZINC001410919239 1198583283 /nfs/dbraw/zinc/58/32/83/1198583283.db2.gz GDSIRWVJHBHXFN-YJBOKZPZSA-N 2 2 348.491 2.328 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000810135998 1199291061 /nfs/dbraw/zinc/29/10/61/1199291061.db2.gz AYGOFWDKWQADLF-IBGZPJMESA-N 2 2 348.466 2.379 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000810135998 1199291066 /nfs/dbraw/zinc/29/10/66/1199291066.db2.gz AYGOFWDKWQADLF-IBGZPJMESA-N 2 2 348.466 2.379 10 0 EEAELP C[C@@H](c1cccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1)[NH+]1CCOCC1 ZINC000870882185 1200929866 /nfs/dbraw/zinc/92/98/66/1200929866.db2.gz VFGJIQDZLLPIPX-YBKUAAOGSA-N 2 2 329.444 2.146 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000870979541 1200987681 /nfs/dbraw/zinc/98/76/81/1200987681.db2.gz OGCVAZGSYIVBAA-FQEVSTJZSA-N 2 2 335.451 2.291 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000870979541 1200987684 /nfs/dbraw/zinc/98/76/84/1200987684.db2.gz OGCVAZGSYIVBAA-FQEVSTJZSA-N 2 2 335.451 2.291 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000868546367 1201832293 /nfs/dbraw/zinc/83/22/93/1201832293.db2.gz UUEYZZOYLKBFLX-MJGOQNOKSA-N 2 2 342.487 2.489 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000868546367 1201832295 /nfs/dbraw/zinc/83/22/95/1201832295.db2.gz UUEYZZOYLKBFLX-MJGOQNOKSA-N 2 2 342.487 2.489 10 0 EEAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000868546367 1201832299 /nfs/dbraw/zinc/83/22/99/1201832299.db2.gz UUEYZZOYLKBFLX-MJGOQNOKSA-N 2 2 342.487 2.489 10 0 EEAELP C[NH+]1Cc2ccccc2[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000868546367 1201832301 /nfs/dbraw/zinc/83/23/01/1201832301.db2.gz UUEYZZOYLKBFLX-MJGOQNOKSA-N 2 2 342.487 2.489 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]Cc3cccnc3)ccn12 ZINC001274025376 1204331783 /nfs/dbraw/zinc/33/17/83/1204331783.db2.gz LFWZRECSZVAIJY-NSCUHMNNSA-N 2 2 335.411 2.114 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC/C=C\C[NH2+]Cc1ccccc1 ZINC001274048567 1204346861 /nfs/dbraw/zinc/34/68/61/1204346861.db2.gz MLDZLNBJNGMWHQ-WAYWQWQTSA-N 2 2 338.455 2.224 10 0 EEAELP COc1ccc([C@H](C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)N(C)C)cc1OC ZINC000925623800 1206136793 /nfs/dbraw/zinc/13/67/93/1206136793.db2.gz XBAQQYAUVHKEFR-QGTPRVQTSA-N 2 2 333.476 2.166 10 0 EEAELP O=C(CCCc1ccccc1)NCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925702231 1206144887 /nfs/dbraw/zinc/14/48/87/1206144887.db2.gz BDLAJQPYYGOSEI-GOSISDBHSA-N 2 2 329.488 2.390 10 0 EEAELP Brc1cccc2c1C[C@H]([NH2+][C@@H]1[C@H]3C[C@H]4C[NH2+][C@H]1[C@H]4C3)CO2 ZINC000925730231 1206147474 /nfs/dbraw/zinc/14/74/74/1206147474.db2.gz UYXFRNXZIKPXLJ-AQKSOVIESA-N 2 2 349.272 2.339 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1COCC12OCCO2 ZINC000926569118 1206228204 /nfs/dbraw/zinc/22/82/04/1206228204.db2.gz GBIBTEYDWOUSOI-ZACQAIPSSA-N 2 2 338.492 2.009 10 0 EEAELP CC(C)(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1COCC12OCCO2 ZINC000926569118 1206228205 /nfs/dbraw/zinc/22/82/05/1206228205.db2.gz GBIBTEYDWOUSOI-ZACQAIPSSA-N 2 2 338.492 2.009 10 0 EEAELP C[C@H](c1ccc(F)nc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000929970689 1206523412 /nfs/dbraw/zinc/52/34/12/1206523412.db2.gz FZTMJDOPZPPFDX-OAHLLOKOSA-N 2 2 348.466 2.158 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000930226504 1206542830 /nfs/dbraw/zinc/54/28/30/1206542830.db2.gz AHHASUPAMGWGFP-RKVPGOIHSA-N 2 2 346.475 2.294 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000930226504 1206542832 /nfs/dbraw/zinc/54/28/32/1206542832.db2.gz AHHASUPAMGWGFP-RKVPGOIHSA-N 2 2 346.475 2.294 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000930226502 1206542897 /nfs/dbraw/zinc/54/28/97/1206542897.db2.gz AHHASUPAMGWGFP-IIDMSEBBSA-N 2 2 346.475 2.294 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000930226502 1206542898 /nfs/dbraw/zinc/54/28/98/1206542898.db2.gz AHHASUPAMGWGFP-IIDMSEBBSA-N 2 2 346.475 2.294 10 0 EEAELP COc1ccc2c(c1)C[C@@H](C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1)O2 ZINC000930625730 1206571645 /nfs/dbraw/zinc/57/16/45/1206571645.db2.gz IOHZGCMHWMCYOM-SFHVURJKSA-N 2 2 348.487 2.071 10 0 EEAELP CC(=O)NCCC[N@@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931214608 1206616526 /nfs/dbraw/zinc/61/65/26/1206616526.db2.gz OOSNWUKSGUYLQI-BGYRXZFFSA-N 2 2 329.488 2.357 10 0 EEAELP CC(=O)NCCC[N@H+]1C[C@]2(C)C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931214608 1206616527 /nfs/dbraw/zinc/61/65/27/1206616527.db2.gz OOSNWUKSGUYLQI-BGYRXZFFSA-N 2 2 329.488 2.357 10 0 EEAELP CC(=O)NCCC[NH+]1C[C@]2(C)C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931214608 1206616529 /nfs/dbraw/zinc/61/65/29/1206616529.db2.gz OOSNWUKSGUYLQI-BGYRXZFFSA-N 2 2 329.488 2.357 10 0 EEAELP CC(=O)NCCC[NH+]1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000931214608 1206616530 /nfs/dbraw/zinc/61/65/30/1206616530.db2.gz OOSNWUKSGUYLQI-BGYRXZFFSA-N 2 2 329.488 2.357 10 0 EEAELP CCOc1ccccc1NC(=O)CC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515337 1207402976 /nfs/dbraw/zinc/40/29/76/1207402976.db2.gz VGMPVIPEDWUMPY-UHFFFAOYSA-N 2 2 340.427 2.449 10 0 EEAELP CCOc1ccccc1NC(=O)CC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931515337 1207402977 /nfs/dbraw/zinc/40/29/77/1207402977.db2.gz VGMPVIPEDWUMPY-UHFFFAOYSA-N 2 2 340.427 2.449 10 0 EEAELP C/C(=C/C(=O)NC1CC[NH+](C2CCCCC2)CC1)C[NH+]1CCOCC1 ZINC000900929816 1235011966 /nfs/dbraw/zinc/01/19/66/1235011966.db2.gz KAGFBFAZDLCVKR-ICFOKQHNSA-N 2 2 349.519 2.178 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902927674 1239110007 /nfs/dbraw/zinc/11/00/07/1239110007.db2.gz RYOAZWNGGFAMDI-CRAIPNDOSA-N 2 2 343.427 2.445 10 0 EEAELP C[NH+](C)CC[C@H]([NH2+]C1CCN(c2cnccn2)CC1)c1cccnc1 ZINC000903384341 1240360472 /nfs/dbraw/zinc/36/04/72/1240360472.db2.gz QORKMLNFBUWHMM-SFHVURJKSA-N 2 2 340.475 2.123 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000903439341 1240476146 /nfs/dbraw/zinc/47/61/46/1240476146.db2.gz GJFWMHQTNOOINZ-UWWQBHOKSA-N 2 2 343.471 2.270 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000903439341 1240476151 /nfs/dbraw/zinc/47/61/51/1240476151.db2.gz GJFWMHQTNOOINZ-UWWQBHOKSA-N 2 2 343.471 2.270 10 0 EEAELP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000903963898 1242753620 /nfs/dbraw/zinc/75/36/20/1242753620.db2.gz JBVZXZHLPAXZEQ-UHIISALHSA-N 2 2 340.265 2.364 10 0 EEAELP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n(C)n1 ZINC000850554377 1277266062 /nfs/dbraw/zinc/26/60/62/1277266062.db2.gz CUTLYCMIPAJZOX-XKGZKEIXSA-N 2 2 346.519 2.283 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760635 1292189241 /nfs/dbraw/zinc/18/92/41/1292189241.db2.gz JVYVCYGCTIHJIQ-ZWKOTPCHSA-N 2 2 347.459 2.054 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760635 1292189249 /nfs/dbraw/zinc/18/92/49/1292189249.db2.gz JVYVCYGCTIHJIQ-ZWKOTPCHSA-N 2 2 347.459 2.054 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(O)c2ccccc2c1 ZINC000855414972 1293209849 /nfs/dbraw/zinc/20/98/49/1293209849.db2.gz ONWKMXFVKPXJKX-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(O)c2ccccc2c1 ZINC000855414972 1293209855 /nfs/dbraw/zinc/20/98/55/1293209855.db2.gz ONWKMXFVKPXJKX-UHFFFAOYSA-N 2 2 329.444 2.159 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cn2)CC1 ZINC000857849460 1293929910 /nfs/dbraw/zinc/92/99/10/1293929910.db2.gz XXNOPUIWEJTEGH-QGZVFWFLSA-N 2 2 340.475 2.114 10 0 EEAELP CCOCC[NH2+]C[C@H](NC(=O)c1cccc2[nH+]ccn21)C(C)(C)C ZINC001278983123 1318914125 /nfs/dbraw/zinc/91/41/25/1318914125.db2.gz QFAFJDHKSKDAQK-HNNXBMFYSA-N 2 2 332.448 2.105 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001264090794 1322617091 /nfs/dbraw/zinc/61/70/91/1322617091.db2.gz DPFAEVUIEHKFND-DSLCMKTCSA-N 2 2 330.476 2.479 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)C[C@@H]2C1 ZINC001264090794 1322617094 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COCCCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001332221224 1335772816 /nfs/dbraw/zinc/77/28/16/1335772816.db2.gz XAQBSMJQLQZWGX-HZPDHXFCSA-N 2 2 336.480 2.046 10 0 EEAELP COCCCCC[N@H+]1CCC[C@@H](NC(=O)Cc2[nH]c[nH+]c2C)[C@H]1C ZINC001332221224 1335772820 /nfs/dbraw/zinc/77/28/20/1335772820.db2.gz XAQBSMJQLQZWGX-HZPDHXFCSA-N 2 2 336.480 2.046 10 0 EEAELP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001333088608 1335960701 /nfs/dbraw/zinc/96/07/01/1335960701.db2.gz ITCPTMASNWNDQR-PWCOQUBGSA-N 2 2 330.476 2.381 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1CC([NH2+]CCCCCF)C1 ZINC001333118933 1335966004 /nfs/dbraw/zinc/96/60/04/1335966004.db2.gz DNKQCGMDHOOUFV-QDIHITRGSA-N 2 2 336.455 2.242 10 0 EEAELP C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001433420365 1341592003 /nfs/dbraw/zinc/59/20/03/1341592003.db2.gz NAGJIFFHVFMZFY-HNAYVOBHSA-N 2 2 345.462 2.373 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CCCc1ccsc1)C(=O)Cn1cc[nH+]c1 ZINC001436330481 1342034192 /nfs/dbraw/zinc/03/41/92/1342034192.db2.gz GHEGSAQTDDDGMJ-MRXNPFEDSA-N 2 2 332.473 2.110 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CCCc1ccsc1)C(=O)Cn1cc[nH+]c1 ZINC001436330481 1342034195 /nfs/dbraw/zinc/03/41/95/1342034195.db2.gz GHEGSAQTDDDGMJ-MRXNPFEDSA-N 2 2 332.473 2.110 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001567267346 1342728945 /nfs/dbraw/zinc/72/89/45/1342728945.db2.gz VXULMFZRTNZUEM-GOSISDBHSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001567267346 1342728946 /nfs/dbraw/zinc/72/89/46/1342728946.db2.gz VXULMFZRTNZUEM-GOSISDBHSA-N 2 2 341.459 2.148 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)c2cc(C[NH+](C)C)on2)cc1F ZINC001567523220 1342777908 /nfs/dbraw/zinc/77/79/08/1342777908.db2.gz VYMIIMDWVJRMJG-UHFFFAOYSA-N 2 2 348.422 2.046 10 0 EEAELP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)CCc1[nH+]ccn1C ZINC001568761246 1342849349 /nfs/dbraw/zinc/84/93/49/1342849349.db2.gz AACGDUUQBQPYEG-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP CCOCCC[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC001671237283 1353403376 /nfs/dbraw/zinc/40/33/76/1353403376.db2.gz FVAIPCSZLRUNOT-HOTGVXAUSA-N 2 2 344.459 2.344 10 0 EEAELP CNc1cc(CNC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc[nH+]1 ZINC001649302918 1353468929 /nfs/dbraw/zinc/46/89/29/1353468929.db2.gz KRQWGXOYIMXRNT-SOUVJXGZSA-N 2 2 333.480 2.289 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCO[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001649461489 1353518264 /nfs/dbraw/zinc/51/82/64/1353518264.db2.gz YZTKIBFNGBHTIR-SFHVURJKSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCO[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001649461489 1353518267 /nfs/dbraw/zinc/51/82/67/1353518267.db2.gz YZTKIBFNGBHTIR-SFHVURJKSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001656909858 1354298815 /nfs/dbraw/zinc/29/88/15/1354298815.db2.gz RXPXLKKBELPUNA-ZWKOTPCHSA-N 2 2 348.491 2.061 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)CCc2[nH+]ccn2C)cs1 ZINC001660235729 1354423673 /nfs/dbraw/zinc/42/36/73/1354423673.db2.gz YUFQEEQAHPFGOX-UHFFFAOYSA-N 2 2 334.489 2.361 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)CCc2[nH+]ccn2C)cs1 ZINC001660235729 1354423675 /nfs/dbraw/zinc/42/36/75/1354423675.db2.gz YUFQEEQAHPFGOX-UHFFFAOYSA-N 2 2 334.489 2.361 10 0 EEAELP C[C@H]([NH2+]CCOCC1CCC1)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001660475692 1354470575 /nfs/dbraw/zinc/47/05/75/1354470575.db2.gz PBIOCBGVZWWVRH-FUHWJXTLSA-N 2 2 348.491 2.059 10 0 EEAELP CCCC[NH+]1CCN(CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001660887770 1354556374 /nfs/dbraw/zinc/55/63/74/1354556374.db2.gz PICMJRHSHWLSEB-UHFFFAOYSA-N 2 2 343.475 2.101 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001661793007 1354697885 /nfs/dbraw/zinc/69/78/85/1354697885.db2.gz KDBZULZZOIDTDI-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001663066602 1354905914 /nfs/dbraw/zinc/90/59/14/1354905914.db2.gz JXRCDZHKGPFYME-GOSISDBHSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC001663066602 1354905917 /nfs/dbraw/zinc/90/59/17/1354905917.db2.gz JXRCDZHKGPFYME-GOSISDBHSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC001663066602 1354905920 /nfs/dbraw/zinc/90/59/20/1354905920.db2.gz JXRCDZHKGPFYME-GOSISDBHSA-N 2 2 341.459 2.298 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NCCC[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC001663066602 1354905923 /nfs/dbraw/zinc/90/59/23/1354905923.db2.gz JXRCDZHKGPFYME-GOSISDBHSA-N 2 2 341.459 2.298 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001664028235 1355076463 /nfs/dbraw/zinc/07/64/63/1355076463.db2.gz JKCPZKIUHFTGQU-SFHVURJKSA-N 2 2 340.471 2.126 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2cc(C)on2)C1 ZINC001665737868 1355378930 /nfs/dbraw/zinc/37/89/30/1355378930.db2.gz NMKQNKUILDTDON-KRWDZBQOSA-N 2 2 336.480 2.138 10 0 EEAELP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC001665737868 1355378935 /nfs/dbraw/zinc/37/89/35/1355378935.db2.gz NMKQNKUILDTDON-KRWDZBQOSA-N 2 2 336.480 2.138 10 0 EEAELP C[C@@H](CC[NH2+]C[C@H]1CCOC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001668152126 1355885612 /nfs/dbraw/zinc/88/56/12/1355885612.db2.gz DNLINYFOXQKPNV-JKSUJKDBSA-N 2 2 342.443 2.007 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCCC1CCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001668893683 1356038190 /nfs/dbraw/zinc/03/81/90/1356038190.db2.gz NZNXLPLMTKQBQJ-NLVOMGJBSA-N 2 2 330.476 2.288 10 0 EEAELP Cc1ncc(C[NH2+]C/C=C\CNC(=O)c2cccc3[nH+]ccn32)s1 ZINC001668929845 1356047517 /nfs/dbraw/zinc/04/75/17/1356047517.db2.gz KGUBTXLZRHRWOU-IHWYPQMZSA-N 2 2 341.440 2.175 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]C/C=C\CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001668928643 1356047918 /nfs/dbraw/zinc/04/79/18/1356047918.db2.gz AABTXDUJKVUMQB-ABCZVMIZSA-N 2 2 342.443 2.025 10 0 EEAELP CCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001675459389 1356985923 /nfs/dbraw/zinc/98/59/23/1356985923.db2.gz XWTOPVJPWHAUJO-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP CCCCC[N@H+]1C[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C(C)(C)C1 ZINC001675459389 1356985924 /nfs/dbraw/zinc/98/59/24/1356985924.db2.gz XWTOPVJPWHAUJO-CVEARBPZSA-N 2 2 332.492 2.462 10 0 EEAELP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1F ZINC000886672376 1369643559 /nfs/dbraw/zinc/64/35/59/1369643559.db2.gz NIAOHGJULKAPPR-QGZVFWFLSA-N 2 2 329.419 2.383 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001699317083 1405333694 /nfs/dbraw/zinc/33/36/94/1405333694.db2.gz WTMOHJTVYPMCBP-ABCZVMIZSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001699317083 1405333699 /nfs/dbraw/zinc/33/36/99/1405333699.db2.gz WTMOHJTVYPMCBP-ABCZVMIZSA-N 2 2 344.434 2.498 10 0 EEAELP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001699517551 1405368480 /nfs/dbraw/zinc/36/84/80/1405368480.db2.gz QGUWPZXXQKRRJP-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP CN(CCC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH+]cn1C ZINC001699545456 1405379680 /nfs/dbraw/zinc/37/96/80/1405379680.db2.gz RAWFEMYDLITDCC-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001699989052 1405642055 /nfs/dbraw/zinc/64/20/55/1405642055.db2.gz CEDGTOOBHYPLIZ-GOEGGOLHSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001699989052 1405642065 /nfs/dbraw/zinc/64/20/65/1405642065.db2.gz CEDGTOOBHYPLIZ-GOEGGOLHSA-N 2 2 342.487 2.192 10 0 EEAELP C[C@H](CC[NH2+]CC1CCS(=O)(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000693039479 757477372 /nfs/dbraw/zinc/47/73/72/757477372.db2.gz HQMARAHYRAHATC-MRXNPFEDSA-N 2 2 338.517 2.311 10 0 EEAELP C[C@H](CC[NH2+]CC1CCS(=O)(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000693039479 757477382 /nfs/dbraw/zinc/47/73/82/757477382.db2.gz HQMARAHYRAHATC-MRXNPFEDSA-N 2 2 338.517 2.311 10 0 EEAELP CCS(=O)(=O)CC[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000819185075 785453179 /nfs/dbraw/zinc/45/31/79/785453179.db2.gz KMQOUURHGBIIFB-QGZVFWFLSA-N 2 2 335.473 2.266 10 0 EEAELP C[NH+]1C[C@@]2(C)CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C[C@]2(C)C1 ZINC000913275350 788752098 /nfs/dbraw/zinc/75/20/98/788752098.db2.gz ULFMFKWHIOZMEL-PMACEKPBSA-N 2 2 338.455 2.215 10 0 EEAELP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2 ZINC000923449646 789579901 /nfs/dbraw/zinc/57/99/01/789579901.db2.gz POIOLPPZOXPRKZ-GOSISDBHSA-N 3 2 326.444 2.202 10 0 EEAELP O=S1(=O)CCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716703459 796443978 /nfs/dbraw/zinc/44/39/78/796443978.db2.gz CEQAKWVKRPYCCQ-CADBVGFASA-N 2 2 348.512 2.206 10 0 EEAELP O=S1(=O)CCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716703459 796443981 /nfs/dbraw/zinc/44/39/81/796443981.db2.gz CEQAKWVKRPYCCQ-CADBVGFASA-N 2 2 348.512 2.206 10 0 EEAELP CC(C)c1cnc(C[N@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001566488708 1125651383 /nfs/dbraw/zinc/65/13/83/1125651383.db2.gz FHYLUYUSFYYKTE-UHFFFAOYSA-N 2 2 336.480 2.078 10 0 EEAELP CC(C)c1cnc(C[N@@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)o1 ZINC001566488708 1125651386 /nfs/dbraw/zinc/65/13/86/1125651386.db2.gz FHYLUYUSFYYKTE-UHFFFAOYSA-N 2 2 336.480 2.078 10 0 EEAELP CC(C)CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001566590726 1125780955 /nfs/dbraw/zinc/78/09/55/1125780955.db2.gz UTMYZTQTTCILKH-INIZCTEOSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001566590726 1125780960 /nfs/dbraw/zinc/78/09/60/1125780960.db2.gz UTMYZTQTTCILKH-INIZCTEOSA-N 2 2 332.492 2.462 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[N@@H+]1CCF ZINC001436444688 1087858474 /nfs/dbraw/zinc/85/84/74/1087858474.db2.gz YTPOEYOSNNJFCT-ZWKOTPCHSA-N 2 2 335.467 2.100 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)CC[N@H+]1CCF ZINC001436444688 1087858501 /nfs/dbraw/zinc/85/85/01/1087858501.db2.gz YTPOEYOSNNJFCT-ZWKOTPCHSA-N 2 2 335.467 2.100 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)CC[NH+]1CCF ZINC001436444688 1087858523 /nfs/dbraw/zinc/85/85/23/1087858523.db2.gz YTPOEYOSNNJFCT-ZWKOTPCHSA-N 2 2 335.467 2.100 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)CC[NH+]1CCF ZINC001436444688 1087858548 /nfs/dbraw/zinc/85/85/48/1087858548.db2.gz YTPOEYOSNNJFCT-ZWKOTPCHSA-N 2 2 335.467 2.100 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccncc2Cl)[C@@H]1C ZINC001436485985 1087979757 /nfs/dbraw/zinc/97/97/57/1087979757.db2.gz VORQRSLQKMHWBX-CJNGLKHVSA-N 2 2 338.883 2.156 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccncc2Cl)[C@@H]1C ZINC001436485985 1087979791 /nfs/dbraw/zinc/97/97/91/1087979791.db2.gz VORQRSLQKMHWBX-CJNGLKHVSA-N 2 2 338.883 2.156 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001436485985 1087979807 /nfs/dbraw/zinc/97/98/07/1087979807.db2.gz VORQRSLQKMHWBX-CJNGLKHVSA-N 2 2 338.883 2.156 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccncc2Cl)[C@@H]1C ZINC001436485985 1087979824 /nfs/dbraw/zinc/97/98/24/1087979824.db2.gz VORQRSLQKMHWBX-CJNGLKHVSA-N 2 2 338.883 2.156 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2nocc2C)CC1 ZINC001436761757 1088282270 /nfs/dbraw/zinc/28/22/70/1088282270.db2.gz XQEOKQWXUDQARR-MRXNPFEDSA-N 2 2 348.491 2.138 10 0 EEAELP CCCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](Cc2nocc2C)CC1 ZINC001436761757 1088282289 /nfs/dbraw/zinc/28/22/89/1088282289.db2.gz XQEOKQWXUDQARR-MRXNPFEDSA-N 2 2 348.491 2.138 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001436820411 1088416069 /nfs/dbraw/zinc/41/60/69/1088416069.db2.gz UDLGAEZUAJFZSE-WBVHZDCISA-N 2 2 348.491 2.232 10 0 EEAELP Cc1ccc(CC[N@@H+]2CCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001437047185 1088931213 /nfs/dbraw/zinc/93/12/13/1088931213.db2.gz SOWQBEIHUILIKB-LJQANCHMSA-N 2 2 340.471 2.405 10 0 EEAELP Cc1ccc(CC[N@H+]2CCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001437047185 1088931225 /nfs/dbraw/zinc/93/12/25/1088931225.db2.gz SOWQBEIHUILIKB-LJQANCHMSA-N 2 2 340.471 2.405 10 0 EEAELP Cc1oncc1C[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001437152562 1089153838 /nfs/dbraw/zinc/15/38/38/1089153838.db2.gz QOPVKYFVSGWOEV-BBRMVZONSA-N 2 2 333.436 2.061 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]C/C=C/c1ccccc1 ZINC001437164152 1089178661 /nfs/dbraw/zinc/17/86/61/1089178661.db2.gz MGSQNFVKJVSSAF-ODEKCMFZSA-N 2 2 338.455 2.253 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001437232412 1089327819 /nfs/dbraw/zinc/32/78/19/1089327819.db2.gz VHOHISGHFIJBJW-LSDHHAIUSA-N 2 2 344.459 2.200 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001437232412 1089327827 /nfs/dbraw/zinc/32/78/27/1089327827.db2.gz VHOHISGHFIJBJW-LSDHHAIUSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1nocc1C[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001437810390 1090402180 /nfs/dbraw/zinc/40/21/80/1090402180.db2.gz ASZYMJILEXHUCP-GOSISDBHSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1nocc1C[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001437810390 1090402181 /nfs/dbraw/zinc/40/21/81/1090402181.db2.gz ASZYMJILEXHUCP-GOSISDBHSA-N 2 2 348.491 2.184 10 0 EEAELP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC001437858653 1090439494 /nfs/dbraw/zinc/43/94/94/1090439494.db2.gz QAMHMILAQSSCHZ-RDJZCZTQSA-N 2 2 332.492 2.318 10 0 EEAELP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001438273926 1090758809 /nfs/dbraw/zinc/75/88/09/1090758809.db2.gz QLQGTUFTWFTVOF-INIZCTEOSA-N 2 2 345.447 2.083 10 0 EEAELP CCN(C(=O)CCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001438273926 1090758811 /nfs/dbraw/zinc/75/88/11/1090758811.db2.gz QLQGTUFTWFTVOF-INIZCTEOSA-N 2 2 345.447 2.083 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC1CC(C)(C)C1 ZINC001438339780 1090815290 /nfs/dbraw/zinc/81/52/90/1090815290.db2.gz ZRNOJTZNVXXQGF-HOTGVXAUSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)o1 ZINC001438688063 1091189439 /nfs/dbraw/zinc/18/94/39/1091189439.db2.gz DSVUMAAXOUBCOS-HOCLYGCPSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001438688063 1091189441 /nfs/dbraw/zinc/18/94/41/1091189441.db2.gz DSVUMAAXOUBCOS-HOCLYGCPSA-N 2 2 336.480 2.182 10 0 EEAELP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1cc(C2CC2)no1 ZINC001445717385 1091530393 /nfs/dbraw/zinc/53/03/93/1091530393.db2.gz LFAQYRGQZIQVKT-KSSFIOAISA-N 2 2 348.491 2.361 10 0 EEAELP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001445717385 1091530400 /nfs/dbraw/zinc/53/04/00/1091530400.db2.gz LFAQYRGQZIQVKT-KSSFIOAISA-N 2 2 348.491 2.361 10 0 EEAELP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C2CC2)no1 ZINC001445717385 1091530403 /nfs/dbraw/zinc/53/04/03/1091530403.db2.gz LFAQYRGQZIQVKT-KSSFIOAISA-N 2 2 348.491 2.361 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C2CC2)no1 ZINC001445717385 1091530409 /nfs/dbraw/zinc/53/04/09/1091530409.db2.gz LFAQYRGQZIQVKT-KSSFIOAISA-N 2 2 348.491 2.361 10 0 EEAELP C[C@@H](C[N@H+](C)CC[C@@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001439354480 1092067937 /nfs/dbraw/zinc/06/79/37/1092067937.db2.gz ZMGPJEGGQVQGCY-HOTGVXAUSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@@H](C[N@@H+](C)CC[C@@H]1CCCCO1)NC(=O)c1cccc2[nH+]ccn21 ZINC001439354480 1092067943 /nfs/dbraw/zinc/06/79/43/1092067943.db2.gz ZMGPJEGGQVQGCY-HOTGVXAUSA-N 2 2 344.459 2.344 10 0 EEAELP C[C@H](CC(=O)N[C@H](C[NH2+]Cc1ccc(F)cn1)C1CC1)n1cc[nH+]c1 ZINC001439484785 1092292668 /nfs/dbraw/zinc/29/26/68/1092292668.db2.gz RCAWKMZRXCASSL-CXAGYDPISA-N 2 2 345.422 2.053 10 0 EEAELP Cc1ncoc1C[NH+]1CC[C@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001439529886 1092386323 /nfs/dbraw/zinc/38/63/23/1092386323.db2.gz HIHWHQYMXBJIMJ-INIZCTEOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+]1CC[C@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001439529886 1092386329 /nfs/dbraw/zinc/38/63/29/1092386329.db2.gz HIHWHQYMXBJIMJ-INIZCTEOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001439529886 1092386335 /nfs/dbraw/zinc/38/63/35/1092386335.db2.gz HIHWHQYMXBJIMJ-INIZCTEOSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001439529886 1092386345 /nfs/dbraw/zinc/38/63/45/1092386345.db2.gz HIHWHQYMXBJIMJ-INIZCTEOSA-N 2 2 348.491 2.327 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001439563121 1092442069 /nfs/dbraw/zinc/44/20/69/1092442069.db2.gz SYAGDXFBIGQFDL-GXTWGEPZSA-N 2 2 326.391 2.070 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001439563121 1092442071 /nfs/dbraw/zinc/44/20/71/1092442071.db2.gz SYAGDXFBIGQFDL-GXTWGEPZSA-N 2 2 326.391 2.070 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2nc3ccccc3o2)CC1 ZINC001439620433 1092530403 /nfs/dbraw/zinc/53/04/03/1092530403.db2.gz JCKSHANZMUGGTM-OAHLLOKOSA-N 2 2 342.443 2.051 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2nc3ccccc3o2)CC1 ZINC001439620433 1092530418 /nfs/dbraw/zinc/53/04/18/1092530418.db2.gz JCKSHANZMUGGTM-OAHLLOKOSA-N 2 2 342.443 2.051 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001439846907 1092858503 /nfs/dbraw/zinc/85/85/03/1092858503.db2.gz FWUVPLLBQDDJPQ-KDOFPFPSSA-N 2 2 345.447 2.165 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001439846907 1092858511 /nfs/dbraw/zinc/85/85/11/1092858511.db2.gz FWUVPLLBQDDJPQ-KDOFPFPSSA-N 2 2 345.447 2.165 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC001440227438 1093308797 /nfs/dbraw/zinc/30/87/97/1093308797.db2.gz HVADJVCIAGPTHW-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@H]1CN(C)C(=O)CCn1cc[nH+]c1)C1CCCC1 ZINC001440227438 1093308810 /nfs/dbraw/zinc/30/88/10/1093308810.db2.gz HVADJVCIAGPTHW-ZWKOTPCHSA-N 2 2 348.491 2.011 10 0 EEAELP CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001440344195 1093493604 /nfs/dbraw/zinc/49/36/04/1093493604.db2.gz OZSWYTHVIKXEKM-JYJNAYRXSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ncccc1C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001448732073 1093803700 /nfs/dbraw/zinc/80/37/00/1093803700.db2.gz MMKSIJVWHLLCHI-HUUCEWRRSA-N 2 2 329.448 2.174 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CCc1cccs1 ZINC001440663863 1093931887 /nfs/dbraw/zinc/93/18/87/1093931887.db2.gz AWWQNBDVONWPSR-GJZGRUSLSA-N 2 2 346.500 2.234 10 0 EEAELP Cc1nc(C[NH+]2CC[C@]3(NC(=O)C[N@@H+](C)C4CCC4)CCC[C@@H]23)co1 ZINC001449028684 1094037363 /nfs/dbraw/zinc/03/73/63/1094037363.db2.gz IHYCSMWVXAHNEO-IEBWSBKVSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1nc(C[NH+]2CC[C@]3(NC(=O)C[N@H+](C)C4CCC4)CCC[C@@H]23)co1 ZINC001449028684 1094037369 /nfs/dbraw/zinc/03/73/69/1094037369.db2.gz IHYCSMWVXAHNEO-IEBWSBKVSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@]3(NC(=O)C[NH+](C)C4CCC4)CCC[C@@H]23)co1 ZINC001449028684 1094037375 /nfs/dbraw/zinc/03/73/75/1094037375.db2.gz IHYCSMWVXAHNEO-IEBWSBKVSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@]3(NC(=O)C[NH+](C)C4CCC4)CCC[C@@H]23)co1 ZINC001449028684 1094037381 /nfs/dbraw/zinc/03/73/81/1094037381.db2.gz IHYCSMWVXAHNEO-IEBWSBKVSA-N 2 2 346.475 2.081 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001440840688 1094095514 /nfs/dbraw/zinc/09/55/14/1094095514.db2.gz MLIAUEIFWOWEHY-UIOUNXJESA-N 2 2 326.444 2.159 10 0 EEAELP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001440935645 1094188667 /nfs/dbraw/zinc/18/86/67/1094188667.db2.gz AFWXKOXDPRNYNJ-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001440935645 1094188668 /nfs/dbraw/zinc/18/86/68/1094188668.db2.gz AFWXKOXDPRNYNJ-WMZOPIPTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](NC(=O)Cn2cc[nH+]c2)C(C)(C)C)c(C)s1 ZINC001449310938 1094263819 /nfs/dbraw/zinc/26/38/19/1094263819.db2.gz ARHIDOJBQGOJNN-HNNXBMFYSA-N 2 2 349.504 2.277 10 0 EEAELP Cc1cncc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c1 ZINC001441594966 1095432965 /nfs/dbraw/zinc/43/29/65/1095432965.db2.gz DGOJOFPWILFLHB-JKSUJKDBSA-N 2 2 329.448 2.174 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001441634016 1095532908 /nfs/dbraw/zinc/53/29/08/1095532908.db2.gz HYFAJIVNPRKPBQ-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCC[N@H+]1CC1CC2(CCC2)C1 ZINC001441634016 1095532917 /nfs/dbraw/zinc/53/29/17/1095532917.db2.gz HYFAJIVNPRKPBQ-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)Cc2ccccc2)o1 ZINC001441636693 1095540639 /nfs/dbraw/zinc/54/06/39/1095540639.db2.gz FXFIICDZJJZUDZ-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)Cc2ccccc2)o1 ZINC001441636693 1095540647 /nfs/dbraw/zinc/54/06/47/1095540647.db2.gz FXFIICDZJJZUDZ-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@H+](CC/C=C\c3ccccc3)C[C@H]21 ZINC001441729816 1095709263 /nfs/dbraw/zinc/70/92/63/1095709263.db2.gz WFPHPDXGERTFAR-JTKHMRFDSA-N 2 2 336.439 2.033 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1[C@H]2C[N@@H+](CC/C=C\c3ccccc3)C[C@H]21 ZINC001441729816 1095709270 /nfs/dbraw/zinc/70/92/70/1095709270.db2.gz WFPHPDXGERTFAR-JTKHMRFDSA-N 2 2 336.439 2.033 10 0 EEAELP Cc1cccnc1C[NH+]1CCC([C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001442205923 1096490638 /nfs/dbraw/zinc/49/06/38/1096490638.db2.gz WGLKHIMABJZKJB-OAHLLOKOSA-N 2 2 341.459 2.073 10 0 EEAELP C[N@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CCCCC1 ZINC001442410287 1096731468 /nfs/dbraw/zinc/73/14/68/1096731468.db2.gz GCCWEKMGPFVBJW-UHFFFAOYSA-N 2 2 332.492 2.390 10 0 EEAELP C[N@@H+](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)CC1CCCCC1 ZINC001442410287 1096731469 /nfs/dbraw/zinc/73/14/69/1096731469.db2.gz GCCWEKMGPFVBJW-UHFFFAOYSA-N 2 2 332.492 2.390 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001442874385 1097268527 /nfs/dbraw/zinc/26/85/27/1097268527.db2.gz GTUNRRMDATWVDD-SFHVURJKSA-N 2 2 340.471 2.034 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC001442874385 1097268533 /nfs/dbraw/zinc/26/85/33/1097268533.db2.gz GTUNRRMDATWVDD-SFHVURJKSA-N 2 2 340.471 2.034 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001443661762 1098161055 /nfs/dbraw/zinc/16/10/55/1098161055.db2.gz ASEOFQKNRPNWIP-CQSZACIVSA-N 2 2 340.418 2.147 10 0 EEAELP Cc1ccc(/C=C/C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001443782487 1098271612 /nfs/dbraw/zinc/27/16/12/1098271612.db2.gz VQUALNNNJBWCJF-OVKVCFKUSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1ccc(/C=C/C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001443782487 1098271613 /nfs/dbraw/zinc/27/16/13/1098271613.db2.gz VQUALNNNJBWCJF-OVKVCFKUSA-N 2 2 342.487 2.030 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001443809985 1098303828 /nfs/dbraw/zinc/30/38/28/1098303828.db2.gz GDTOVCIWOFKJAT-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001443809985 1098303833 /nfs/dbraw/zinc/30/38/33/1098303833.db2.gz GDTOVCIWOFKJAT-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001443809985 1098303838 /nfs/dbraw/zinc/30/38/38/1098303838.db2.gz GDTOVCIWOFKJAT-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@H+]1CC[C@@H](N(C)C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001443809985 1098303846 /nfs/dbraw/zinc/30/38/46/1098303846.db2.gz GDTOVCIWOFKJAT-QZTJIDSGSA-N 2 2 348.491 2.080 10 0 EEAELP COc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cc3[nH]cc[nH+]3)C2)c1 ZINC001479483218 1098559826 /nfs/dbraw/zinc/55/98/26/1098559826.db2.gz XECIAUXGPZJHNR-JKSUJKDBSA-N 2 2 342.443 2.036 10 0 EEAELP C[C@](C[NH2+]Cc1ccns1)(NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC1 ZINC001444127206 1098662251 /nfs/dbraw/zinc/66/22/51/1098662251.db2.gz JPCHZSZVFIEFBT-CKEIUWERSA-N 2 2 345.472 2.044 10 0 EEAELP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001444187883 1098738564 /nfs/dbraw/zinc/73/85/64/1098738564.db2.gz RSRUMQWBSISUNJ-VGWMRTNUSA-N 2 2 336.455 2.211 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001444380608 1098964594 /nfs/dbraw/zinc/96/45/94/1098964594.db2.gz POYQSUVDMBTEBR-KGLIPLIRSA-N 2 2 343.475 2.142 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001444380608 1098964605 /nfs/dbraw/zinc/96/46/05/1098964605.db2.gz POYQSUVDMBTEBR-KGLIPLIRSA-N 2 2 343.475 2.142 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001444421949 1099041832 /nfs/dbraw/zinc/04/18/32/1099041832.db2.gz QGSRCXNFFPGWBJ-ZDUSSCGKSA-N 2 2 336.386 2.363 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)C2CC[NH+](CC3CC3)CC2)co1 ZINC001479807092 1099050678 /nfs/dbraw/zinc/05/06/78/1099050678.db2.gz IPIIWPJELRZDJQ-UHFFFAOYSA-N 2 2 348.491 2.043 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)C2CC[NH+](CC3CC3)CC2)co1 ZINC001479807092 1099050690 /nfs/dbraw/zinc/05/06/90/1099050690.db2.gz IPIIWPJELRZDJQ-UHFFFAOYSA-N 2 2 348.491 2.043 10 0 EEAELP 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PALJSRCEIFLKPG-MRVWCRGKSA-N 2 2 340.418 2.433 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1CCC(F)(F)CC1 ZINC001480480128 1100289470 /nfs/dbraw/zinc/28/94/70/1100289470.db2.gz PALJSRCEIFLKPG-MRVWCRGKSA-N 2 2 340.418 2.433 10 0 EEAELP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1F ZINC001480545700 1100378893 /nfs/dbraw/zinc/37/88/93/1100378893.db2.gz DZOLGNSHKGQEAG-CHWSQXEVSA-N 2 2 336.386 2.407 10 0 EEAELP C[C@H](C[NH2+]CC/C=C/c1ccccc1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001496241305 1100809286 /nfs/dbraw/zinc/80/92/86/1100809286.db2.gz BBRKMSDFRMXPNA-DKISHCGFSA-N 2 2 326.444 2.423 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)Cc2ccccc2)co1 ZINC001496243385 1100812096 /nfs/dbraw/zinc/81/20/96/1100812096.db2.gz KXDSNUMSLOZTMO-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc2ccccc2)co1 ZINC001496243385 1100812104 /nfs/dbraw/zinc/81/21/04/1100812104.db2.gz KXDSNUMSLOZTMO-OAHLLOKOSA-N 2 2 344.459 2.052 10 0 EEAELP 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ZINC001448341251 1104428191 /nfs/dbraw/zinc/42/81/91/1104428191.db2.gz UJLQKIHOOPLWRZ-GXTWGEPZSA-N 2 2 340.418 2.214 10 0 EEAELP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001494903768 1104533289 /nfs/dbraw/zinc/53/32/89/1104533289.db2.gz AJSIOVXLIREWDI-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP CCN(C(=O)CCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001494903768 1104533300 /nfs/dbraw/zinc/53/33/00/1104533300.db2.gz AJSIOVXLIREWDI-HNNXBMFYSA-N 2 2 347.488 2.161 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1c(C)nsc1C ZINC001495001784 1104644009 /nfs/dbraw/zinc/64/40/09/1104644009.db2.gz WWYVEEJTLFVDOV-BFHYXJOUSA-N 2 2 347.488 2.271 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H](C[NH2+]CCCCc2ccccc2)C1 ZINC001480664443 1106842880 /nfs/dbraw/zinc/84/28/80/1106842880.db2.gz AHOVMECABWAUCU-GOSISDBHSA-N 2 2 340.471 2.413 10 0 EEAELP C[C@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CC1CC(F)(F)C1 ZINC001480795590 1107132455 /nfs/dbraw/zinc/13/24/55/1107132455.db2.gz TXXJILGSLQLPFC-OLZOCXBDSA-N 2 2 328.407 2.364 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)c(C)s1 ZINC001498427552 1107503775 /nfs/dbraw/zinc/50/37/75/1107503775.db2.gz XKMDHNIXGCBWOL-IUODEOHRSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)c(C)s1 ZINC001498427552 1107503780 /nfs/dbraw/zinc/50/37/80/1107503780.db2.gz XKMDHNIXGCBWOL-IUODEOHRSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)s1 ZINC001498427552 1107503793 /nfs/dbraw/zinc/50/37/93/1107503793.db2.gz XKMDHNIXGCBWOL-IUODEOHRSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001498427552 1107503806 /nfs/dbraw/zinc/50/38/06/1107503806.db2.gz XKMDHNIXGCBWOL-IUODEOHRSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)CCc2c[nH]c[nH+]2)sc1C ZINC001498558828 1107720658 /nfs/dbraw/zinc/72/06/58/1107720658.db2.gz OLHCXHBVRPBIIY-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)CCc2c[nH+]c[nH]2)sc1C ZINC001498558828 1107720671 /nfs/dbraw/zinc/72/06/71/1107720671.db2.gz OLHCXHBVRPBIIY-UHFFFAOYSA-N 2 2 335.477 2.054 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001493241570 1107757564 /nfs/dbraw/zinc/75/75/64/1107757564.db2.gz UYYPVYPPTQTJPG-CABCVRRESA-N 2 2 342.443 2.160 10 0 EEAELP COc1cccc([C@@H](C)[N@H+]2CC[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001493241570 1107757580 /nfs/dbraw/zinc/75/75/80/1107757580.db2.gz UYYPVYPPTQTJPG-CABCVRRESA-N 2 2 342.443 2.160 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1)c1nc2ccccc2o1 ZINC001498660355 1107913014 /nfs/dbraw/zinc/91/30/14/1107913014.db2.gz FVGZSNQUCDCTAL-AWEZNQCLSA-N 2 2 341.415 2.224 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1coc(C2CC2)n1)C1CC1 ZINC001498781364 1108090545 /nfs/dbraw/zinc/09/05/45/1108090545.db2.gz MMVXBUGSMWLNBA-DLBZAZTESA-N 2 2 346.475 2.021 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1coc(C2CC2)n1)C1CC1 ZINC001498781364 1108090557 /nfs/dbraw/zinc/09/05/57/1108090557.db2.gz MMVXBUGSMWLNBA-DLBZAZTESA-N 2 2 346.475 2.021 10 0 EEAELP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001479298773 1110677775 /nfs/dbraw/zinc/67/77/75/1110677775.db2.gz QJEASRUTXYGLGD-AFIMGQEJSA-N 2 2 347.507 2.321 10 0 EEAELP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001479298773 1110677777 /nfs/dbraw/zinc/67/77/77/1110677777.db2.gz QJEASRUTXYGLGD-AFIMGQEJSA-N 2 2 347.507 2.321 10 0 EEAELP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001499269090 1112209719 /nfs/dbraw/zinc/20/97/19/1112209719.db2.gz OGXSTXLMJVTWCK-YIEVGGLXSA-N 2 2 330.476 2.430 10 0 EEAELP CCOCC[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001501581252 1113389596 /nfs/dbraw/zinc/38/95/96/1113389596.db2.gz CIEVUKLQCVFXTO-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP CCc1ccc(CC[NH2+]CC2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001505521765 1114033440 /nfs/dbraw/zinc/03/34/40/1114033440.db2.gz JUUQILWLZDXRDB-UHFFFAOYSA-N 2 2 340.471 2.242 10 0 EEAELP Cc1ncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)c2cccc3[nH+]ccn32)s1 ZINC001505654050 1114111729 /nfs/dbraw/zinc/11/17/29/1114111729.db2.gz ZBAGFNMGLKGLDI-RYUDHWBXSA-N 2 2 343.456 2.396 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)c1C ZINC001505664217 1114117215 /nfs/dbraw/zinc/11/72/15/1114117215.db2.gz OKBNGEUOLCDJNI-HOTGVXAUSA-N 2 2 344.459 2.273 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@H+](C)CC[C@@H]1CCCCO1 ZINC001505944370 1114293336 /nfs/dbraw/zinc/29/33/36/1114293336.db2.gz UPQUIOOHXKCMOS-WBVHZDCISA-N 2 2 349.475 2.028 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[N@@H+](C)CC[C@@H]1CCCCO1 ZINC001505944370 1114293338 /nfs/dbraw/zinc/29/33/38/1114293338.db2.gz UPQUIOOHXKCMOS-WBVHZDCISA-N 2 2 349.475 2.028 10 0 EEAELP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)Cc1ccn(C)n1 ZINC001505970428 1114309104 /nfs/dbraw/zinc/30/91/04/1114309104.db2.gz VDSNZRCXYXWYJT-INIZCTEOSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)Cc1ccn(C)n1 ZINC001505970428 1114309109 /nfs/dbraw/zinc/30/91/09/1114309109.db2.gz VDSNZRCXYXWYJT-INIZCTEOSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+](C)Cc1ccn(C)n1 ZINC001505970428 1114309112 /nfs/dbraw/zinc/30/91/12/1114309112.db2.gz VDSNZRCXYXWYJT-INIZCTEOSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+](C)Cc1ccn(C)n1 ZINC001505970428 1114309116 /nfs/dbraw/zinc/30/91/16/1114309116.db2.gz VDSNZRCXYXWYJT-INIZCTEOSA-N 2 2 349.523 2.011 10 0 EEAELP CC(C)=CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C(C)(C)n2c[nH+]c(C)c2)CCO1 ZINC001506838356 1114904229 /nfs/dbraw/zinc/90/42/29/1114904229.db2.gz VMLMEIGSFKROAE-DLBZAZTESA-N 2 2 348.491 2.098 10 0 EEAELP CC(C)[C@@H](CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CC1CC1 ZINC001506985380 1115032364 /nfs/dbraw/zinc/03/23/64/1115032364.db2.gz FDZOGRLVDKQXLC-QAPCUYQASA-N 2 2 347.507 2.321 10 0 EEAELP CC(C)[C@@H](CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CC1CC1 ZINC001506985380 1115032366 /nfs/dbraw/zinc/03/23/66/1115032366.db2.gz FDZOGRLVDKQXLC-QAPCUYQASA-N 2 2 347.507 2.321 10 0 EEAELP Cc1cccnc1C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001507128952 1115123736 /nfs/dbraw/zinc/12/37/36/1115123736.db2.gz MWKANQAMMHXBNY-JKSUJKDBSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1nc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001507132634 1115125865 /nfs/dbraw/zinc/12/58/65/1115125865.db2.gz WADSQCYRTDFQNG-STQMWFEESA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cs1 ZINC001507132634 1115125866 /nfs/dbraw/zinc/12/58/66/1115125866.db2.gz WADSQCYRTDFQNG-STQMWFEESA-N 2 2 349.504 2.032 10 0 EEAELP CN(C[C@@H](O)C[N@H+](C)CC1CCCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507655567 1115316160 /nfs/dbraw/zinc/31/61/60/1115316160.db2.gz GXFHAPGMJPCAPX-INIZCTEOSA-N 2 2 344.459 2.118 10 0 EEAELP 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1124176498 /nfs/dbraw/zinc/17/64/98/1124176498.db2.gz XDVLZFHYBZVKIT-HOTGVXAUSA-N 2 2 336.455 2.118 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@@H]([NH2+]CCCF)[C@@H](C)C3)[nH+]c12 ZINC001568365478 1124439847 /nfs/dbraw/zinc/43/98/47/1124439847.db2.gz MCVFVDBWLBIHLY-DOTOQJQBSA-N 2 2 346.450 2.371 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@H]([NH2+]CCCF)[C@@H](C)C3)[nH+]c12 ZINC001568365482 1124439886 /nfs/dbraw/zinc/43/98/86/1124439886.db2.gz MCVFVDBWLBIHLY-RDJZCZTQSA-N 2 2 346.450 2.371 10 0 EEAELP C[C@H](CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccon1)n1cc[nH+]c1 ZINC001568394242 1124464902 /nfs/dbraw/zinc/46/49/02/1124464902.db2.gz BZQVBGKAQPUOBD-WBVHZDCISA-N 2 2 345.447 2.383 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]CCCc1ccsc1 ZINC001568545197 1124604992 /nfs/dbraw/zinc/60/49/92/1124604992.db2.gz MQUUTYLWFCMUHZ-IAGOWNOFSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C/C=C/CNC(=O)CCn2cc[nH+]c2)c1 ZINC001568893980 1124922269 /nfs/dbraw/zinc/92/22/69/1124922269.db2.gz IDKIMLCPYSTIAY-NSCUHMNNSA-N 2 2 330.407 2.183 10 0 EEAELP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055569093 214331019 /nfs/dbraw/zinc/33/10/19/214331019.db2.gz PHERHRYNCCPLHH-INIZCTEOSA-N 2 2 328.460 2.091 10 0 EEAELP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055569093 214331021 /nfs/dbraw/zinc/33/10/21/214331021.db2.gz PHERHRYNCCPLHH-INIZCTEOSA-N 2 2 328.460 2.091 10 0 EEAELP CC[C@H](C)Oc1c(CN2CC[NH+](CCC[NH3+])CC2)cccc1OC ZINC000066143185 215016275 /nfs/dbraw/zinc/01/62/75/215016275.db2.gz AXLQMKMLAXEACP-INIZCTEOSA-N 2 2 335.492 2.339 10 0 EEAELP CC[C@H](C)Oc1c(C[NH+]2CCN(CCC[NH3+])CC2)cccc1OC ZINC000066143185 215016277 /nfs/dbraw/zinc/01/62/77/215016277.db2.gz AXLQMKMLAXEACP-INIZCTEOSA-N 2 2 335.492 2.339 10 0 EEAELP CC(C)(C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000379482082 539938614 /nfs/dbraw/zinc/93/86/14/539938614.db2.gz ZKFDBASJBMSCEX-IBGZPJMESA-N 2 2 331.504 2.351 10 0 EEAELP CC(C)(C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000379482082 539938617 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327.472 2.253 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000362379294 296369330 /nfs/dbraw/zinc/36/93/30/296369330.db2.gz QMAKLSTVFROHBR-AZUAARDMSA-N 2 2 327.472 2.253 10 0 EEAELP O=C1NCCC[C@@H]1[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000362379294 296369333 /nfs/dbraw/zinc/36/93/33/296369333.db2.gz QMAKLSTVFROHBR-AZUAARDMSA-N 2 2 327.472 2.253 10 0 EEAELP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195293763 256009421 /nfs/dbraw/zinc/00/94/21/256009421.db2.gz PWESOEYTEIERJF-IEBWSBKVSA-N 2 2 346.519 2.386 10 0 EEAELP CC(C)CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195293763 256009422 /nfs/dbraw/zinc/00/94/22/256009422.db2.gz PWESOEYTEIERJF-IEBWSBKVSA-N 2 2 346.519 2.386 10 0 EEAELP CC(C)CCNC(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195293763 256009424 /nfs/dbraw/zinc/00/94/24/256009424.db2.gz PWESOEYTEIERJF-IEBWSBKVSA-N 2 2 346.519 2.386 10 0 EEAELP 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DNTTXOOCRUISNZ-VYDXJSESSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000246561892 160284561 /nfs/dbraw/zinc/28/45/61/160284561.db2.gz DNTTXOOCRUISNZ-VYDXJSESSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N[C@H]2CCOc3ccccc32)CC[NH+]1C ZINC000246561892 160284562 /nfs/dbraw/zinc/28/45/62/160284562.db2.gz DNTTXOOCRUISNZ-VYDXJSESSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N[C@H]2CCOc3ccccc32)CC[NH+]1C ZINC000246561892 160284563 /nfs/dbraw/zinc/28/45/63/160284563.db2.gz DNTTXOOCRUISNZ-VYDXJSESSA-N 2 2 331.460 2.041 10 0 EEAELP COc1cccc(F)c1[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000341996516 161030568 /nfs/dbraw/zinc/03/05/68/161030568.db2.gz RKDOVEKCRBGMAH-ZDUSSCGKSA-N 2 2 349.450 2.228 10 0 EEAELP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342588193 161076302 /nfs/dbraw/zinc/07/63/02/161076302.db2.gz AWHJGVNUVODTSD-OAHLLOKOSA-N 2 2 326.444 2.337 10 0 EEAELP 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341.459 2.189 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)NCCn1cc[nH+]c1 ZINC000370011231 166376668 /nfs/dbraw/zinc/37/66/68/166376668.db2.gz OXPRLXVFSZOWDC-QGZVFWFLSA-N 2 2 341.459 2.189 10 0 EEAELP COc1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000374080766 167015976 /nfs/dbraw/zinc/01/59/76/167015976.db2.gz HCYQJOFVEGOHDP-KDURUIRLSA-N 2 2 338.455 2.357 10 0 EEAELP COc1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000374080766 167015980 /nfs/dbraw/zinc/01/59/80/167015980.db2.gz HCYQJOFVEGOHDP-KDURUIRLSA-N 2 2 338.455 2.357 10 0 EEAELP COc1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000374080766 167015982 /nfs/dbraw/zinc/01/59/82/167015982.db2.gz HCYQJOFVEGOHDP-KDURUIRLSA-N 2 2 338.455 2.357 10 0 EEAELP COc1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(C)n1 ZINC000374080766 167015986 /nfs/dbraw/zinc/01/59/86/167015986.db2.gz HCYQJOFVEGOHDP-KDURUIRLSA-N 2 2 338.455 2.357 10 0 EEAELP 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294294913 /nfs/dbraw/zinc/29/49/13/294294913.db2.gz KIBKBRGHVJFFAP-CYBMUJFWSA-N 2 2 334.445 2.351 10 0 EEAELP COC(=O)c1nc([C@H]2CCC[N@H+]2CCc2c[nH+]cn2C)sc1C ZINC000297607196 294294918 /nfs/dbraw/zinc/29/49/18/294294918.db2.gz KIBKBRGHVJFFAP-CYBMUJFWSA-N 2 2 334.445 2.351 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cn1cc[nH+]c1 ZINC000161589488 311368120 /nfs/dbraw/zinc/36/81/20/311368120.db2.gz GZOGQLUHSFCUTE-KRWDZBQOSA-N 2 2 342.443 2.102 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)Cn1cc[nH+]c1 ZINC000161589488 311368122 /nfs/dbraw/zinc/36/81/22/311368122.db2.gz GZOGQLUHSFCUTE-KRWDZBQOSA-N 2 2 342.443 2.102 10 0 EEAELP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CCc3[nH+]c(C(C)(C)C)cn3C2)C1 ZINC000332806912 312058105 /nfs/dbraw/zinc/05/81/05/312058105.db2.gz CTWZGQZYBGQXTQ-CABCVRRESA-N 2 2 347.507 2.231 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000333153788 312102201 /nfs/dbraw/zinc/10/22/01/312102201.db2.gz MSBLIURNDXMWRI-DYEKYZERSA-N 2 2 337.493 2.328 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000333153788 312102204 /nfs/dbraw/zinc/10/22/04/312102204.db2.gz MSBLIURNDXMWRI-DYEKYZERSA-N 2 2 337.493 2.328 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[N@@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000333295314 312126124 /nfs/dbraw/zinc/12/61/24/312126124.db2.gz RZKAWECGELMOBK-BXWFABGCSA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[N@H+]3CCC[C@H]3C2)nc[nH+]1 ZINC000333295314 312126125 /nfs/dbraw/zinc/12/61/25/312126125.db2.gz RZKAWECGELMOBK-BXWFABGCSA-N 2 2 345.491 2.377 10 0 EEAELP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)CN1CCOCC1 ZINC000414571323 313042491 /nfs/dbraw/zinc/04/24/91/313042491.db2.gz UVGZCCNWIDHMLT-UHFFFAOYSA-N 2 2 334.489 2.476 10 0 EEAELP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C(C)(C)CN1CCOCC1 ZINC000414571323 313042492 /nfs/dbraw/zinc/04/24/92/313042492.db2.gz UVGZCCNWIDHMLT-UHFFFAOYSA-N 2 2 334.489 2.476 10 0 EEAELP Cc1ccc([C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000414759936 313078327 /nfs/dbraw/zinc/07/83/27/313078327.db2.gz GGPWRUGVHRJDOQ-HYVNUMGLSA-N 2 2 326.506 2.432 10 0 EEAELP COc1cc(Br)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1O ZINC000414957821 313115109 /nfs/dbraw/zinc/11/51/09/313115109.db2.gz OVHQLZCCGQIVMD-BXKDBHETSA-N 2 2 329.238 2.251 10 0 EEAELP [NH3+]CCN(CCc1ccccc1)C(=O)NCc1cn2ccccc2[nH+]1 ZINC000416866445 313340567 /nfs/dbraw/zinc/34/05/67/313340567.db2.gz GIBXBAKMVKYWEH-UHFFFAOYSA-N 2 2 337.427 2.047 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418559558 313846886 /nfs/dbraw/zinc/84/68/86/313846886.db2.gz QXQCFAMSFILAQC-NVXWUHKLSA-N 2 2 333.480 2.083 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCCCC2CC2)([NH+]2CCCCC2)CC1 ZINC000524785670 317029378 /nfs/dbraw/zinc/02/93/78/317029378.db2.gz VTVXPBQWHFASRJ-UHFFFAOYSA-N 2 2 336.524 2.426 10 0 EEAELP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000527497787 317201104 /nfs/dbraw/zinc/20/11/04/317201104.db2.gz BYMXENLWQCHECM-BBWFWOEESA-N 2 2 330.476 2.493 10 0 EEAELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)NCC1(c2ccccc2)CC1 ZINC000530949751 317760143 /nfs/dbraw/zinc/76/01/43/317760143.db2.gz PNCFVUBNBHCTAM-UHFFFAOYSA-N 2 2 338.455 2.437 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535926237 317986535 /nfs/dbraw/zinc/98/65/35/317986535.db2.gz GGVFHDWNTVBFNM-OAGGEKHMSA-N 2 2 333.480 2.182 10 0 EEAELP COc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000547431623 318287818 /nfs/dbraw/zinc/28/78/18/318287818.db2.gz FVMONHHKZFAHEF-CHWSQXEVSA-N 2 2 348.472 2.332 10 0 EEAELP CC[NH+]1CCN(CC(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)CC1 ZINC000564638133 319096034 /nfs/dbraw/zinc/09/60/34/319096034.db2.gz WAULVQGUDDOKAA-UHFFFAOYSA-N 2 2 340.427 2.450 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H]2CCCc3occc32)C1=O ZINC000565931958 319227484 /nfs/dbraw/zinc/22/74/84/319227484.db2.gz FKBPPICXVKYUSR-HUUCEWRRSA-N 2 2 328.416 2.171 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566243182 319264390 /nfs/dbraw/zinc/26/43/90/319264390.db2.gz ZZEFHGIIIPKYMC-DNVCBOLYSA-N 2 2 331.460 2.406 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566243182 319264391 /nfs/dbraw/zinc/26/43/91/319264391.db2.gz ZZEFHGIIIPKYMC-DNVCBOLYSA-N 2 2 331.460 2.406 10 0 EEAELP CCc1nc(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c(C)o1 ZINC000567102340 319348593 /nfs/dbraw/zinc/34/85/93/319348593.db2.gz VYBGJWBRFIXTDU-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP CCc1nc(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c(C)o1 ZINC000567102340 319348594 /nfs/dbraw/zinc/34/85/94/319348594.db2.gz VYBGJWBRFIXTDU-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP c1cc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc2c1OCO2 ZINC000575181682 320093809 /nfs/dbraw/zinc/09/38/09/320093809.db2.gz WORKDWNXQAPKKL-GOSISDBHSA-N 2 2 342.399 2.041 10 0 EEAELP c1cc(-c2noc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc2c1OCO2 ZINC000575181682 320093810 /nfs/dbraw/zinc/09/38/10/320093810.db2.gz WORKDWNXQAPKKL-GOSISDBHSA-N 2 2 342.399 2.041 10 0 EEAELP Cc1cc(NCCNC(=O)NCCC[NH2+]C(C)C)nc(C(C)C)[nH+]1 ZINC000627071355 451111372 /nfs/dbraw/zinc/11/13/72/451111372.db2.gz NLPZRKUBOVHECN-UHFFFAOYSA-N 2 2 336.484 2.008 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479505 464247386 /nfs/dbraw/zinc/24/73/86/464247386.db2.gz DFMORIVDOJJBFC-PKOBYXMFSA-N 2 2 325.460 2.243 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479505 464247388 /nfs/dbraw/zinc/24/73/88/464247388.db2.gz DFMORIVDOJJBFC-PKOBYXMFSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479505 464247391 /nfs/dbraw/zinc/24/73/91/464247391.db2.gz DFMORIVDOJJBFC-PKOBYXMFSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cnnn3Cc3ccccc3)CC[C@H]21 ZINC000292479505 464247394 /nfs/dbraw/zinc/24/73/94/464247394.db2.gz DFMORIVDOJJBFC-PKOBYXMFSA-N 2 2 325.460 2.243 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000339432543 465270170 /nfs/dbraw/zinc/27/01/70/465270170.db2.gz AZTBWVCWDWIOGP-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000339432543 465270172 /nfs/dbraw/zinc/27/01/72/465270172.db2.gz AZTBWVCWDWIOGP-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(F)cc1 ZINC000339432543 465270173 /nfs/dbraw/zinc/27/01/73/465270173.db2.gz AZTBWVCWDWIOGP-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000339432543 465270176 /nfs/dbraw/zinc/27/01/76/465270176.db2.gz AZTBWVCWDWIOGP-HNAYVOBHSA-N 2 2 333.451 2.421 10 0 EEAELP C[NH+]1CCC(CNC(=O)Nc2ccc(F)nc2)([NH+]2CCCCC2)CC1 ZINC000128213207 462618668 /nfs/dbraw/zinc/61/86/68/462618668.db2.gz JKTFLWFUIOLUNV-UHFFFAOYSA-N 2 2 349.454 2.293 10 0 EEAELP CN(CCCn1cc[nH+]c1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000133905464 462983874 /nfs/dbraw/zinc/98/38/74/462983874.db2.gz SFRLDYZRRPZHQY-GOSISDBHSA-N 2 2 343.475 2.088 10 0 EEAELP CC(C)CCc1noc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000158987239 463263606 /nfs/dbraw/zinc/26/36/06/463263606.db2.gz MIJWVUAPKYSXRJ-KRWDZBQOSA-N 2 2 349.523 2.260 10 0 EEAELP CC(C)CCc1noc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000158987239 463263612 /nfs/dbraw/zinc/26/36/12/463263612.db2.gz MIJWVUAPKYSXRJ-KRWDZBQOSA-N 2 2 349.523 2.260 10 0 EEAELP Cn1cc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)Cc2ccccc2)cn1 ZINC000069631909 463293130 /nfs/dbraw/zinc/29/31/30/463293130.db2.gz KABBRKRJNRVKFT-RTBURBONSA-N 2 2 328.460 2.050 10 0 EEAELP Cn1cc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)Cc2ccccc2)cn1 ZINC000069631909 463293133 /nfs/dbraw/zinc/29/31/33/463293133.db2.gz KABBRKRJNRVKFT-RTBURBONSA-N 2 2 328.460 2.050 10 0 EEAELP Cn1cc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)Cc2ccccc2)cn1 ZINC000069631909 463293141 /nfs/dbraw/zinc/29/31/41/463293141.db2.gz KABBRKRJNRVKFT-RTBURBONSA-N 2 2 328.460 2.050 10 0 EEAELP Cn1cc([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000069631909 463293145 /nfs/dbraw/zinc/29/31/45/463293145.db2.gz KABBRKRJNRVKFT-RTBURBONSA-N 2 2 328.460 2.050 10 0 EEAELP Cc1cccc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000122839413 463295063 /nfs/dbraw/zinc/29/50/63/463295063.db2.gz ZRXRVRUZRAIURA-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[N@@H+]1C ZINC000123457406 463343692 /nfs/dbraw/zinc/34/36/92/463343692.db2.gz YMVNGOXJCXOKNL-GOEBONIOSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@H]1C[C@H]([NH+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[N@H+]1C ZINC000123457406 463343695 /nfs/dbraw/zinc/34/36/95/463343695.db2.gz YMVNGOXJCXOKNL-GOEBONIOSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[NH+]1C ZINC000123457406 463343703 /nfs/dbraw/zinc/34/37/03/463343703.db2.gz YMVNGOXJCXOKNL-GOEBONIOSA-N 2 2 347.459 2.201 10 0 EEAELP C[C@H]1C[C@H]([N@@H+](C)CC(=O)Nc2ccc3c(c2)OCCCO3)CC[NH+]1C ZINC000123457406 463343706 /nfs/dbraw/zinc/34/37/06/463343706.db2.gz YMVNGOXJCXOKNL-GOEBONIOSA-N 2 2 347.459 2.201 10 0 EEAELP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)c1 ZINC000081043284 463385792 /nfs/dbraw/zinc/38/57/92/463385792.db2.gz HBAMLLYBLNWRBR-LJQANCHMSA-N 2 2 345.487 2.075 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000124210200 463399203 /nfs/dbraw/zinc/39/92/03/463399203.db2.gz LRNJAIHBTDJENA-QGZVFWFLSA-N 2 2 330.476 2.349 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000071857253 463443335 /nfs/dbraw/zinc/44/33/35/463443335.db2.gz WBDCYFWHSFJOEK-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP COCCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151275599 463504959 /nfs/dbraw/zinc/50/49/59/463504959.db2.gz RPKKPEUHYXQBAK-AEFFLSMTSA-N 2 2 336.476 2.209 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000057815640 463521323 /nfs/dbraw/zinc/52/13/23/463521323.db2.gz MXOQEYPHCFIEMV-HOTGVXAUSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000057815640 463521326 /nfs/dbraw/zinc/52/13/26/463521326.db2.gz MXOQEYPHCFIEMV-HOTGVXAUSA-N 2 2 345.422 2.042 10 0 EEAELP O=C(Cn1cc[nH+]c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000073175849 463590531 /nfs/dbraw/zinc/59/05/31/463590531.db2.gz LQMKLSLYMMKEGX-UHFFFAOYSA-N 2 2 330.457 2.113 10 0 EEAELP COCC[N@@H+]1CC[C@@H](NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000286883802 463733211 /nfs/dbraw/zinc/73/32/11/463733211.db2.gz COGFFOWAVPPCMI-QUCCMNQESA-N 2 2 349.519 2.387 10 0 EEAELP COCC[N@H+]1CC[C@@H](NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000286883802 463733215 /nfs/dbraw/zinc/73/32/15/463733215.db2.gz COGFFOWAVPPCMI-QUCCMNQESA-N 2 2 349.519 2.387 10 0 EEAELP Cc1ncsc1C[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CC[NH2+]C1 ZINC000261707062 463834373 /nfs/dbraw/zinc/83/43/73/463834373.db2.gz UTVMBOYTVVDIJS-OAHLLOKOSA-N 2 2 344.484 2.162 10 0 EEAELP Cc1ncsc1C[N@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CC[NH2+]C1 ZINC000261707062 463834381 /nfs/dbraw/zinc/83/43/81/463834381.db2.gz UTVMBOYTVVDIJS-OAHLLOKOSA-N 2 2 344.484 2.162 10 0 EEAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2F)C[C@H]1c1ccccc1 ZINC000261754950 463850414 /nfs/dbraw/zinc/85/04/14/463850414.db2.gz NQWVABMUMPMJDK-CVEARBPZSA-N 2 2 327.403 2.439 10 0 EEAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2F)C[C@H]1c1ccccc1 ZINC000261754950 463850416 /nfs/dbraw/zinc/85/04/16/463850416.db2.gz NQWVABMUMPMJDK-CVEARBPZSA-N 2 2 327.403 2.439 10 0 EEAELP C[N@H+](CC(=O)Nc1ccccc1Br)C[C@]1(C)CC[NH2+]C1 ZINC000262117367 463950951 /nfs/dbraw/zinc/95/09/51/463950951.db2.gz WZGMRHTVOLWXQA-OAHLLOKOSA-N 2 2 340.265 2.319 10 0 EEAELP C[N@@H+](CC(=O)Nc1ccccc1Br)C[C@]1(C)CC[NH2+]C1 ZINC000262117367 463950958 /nfs/dbraw/zinc/95/09/58/463950958.db2.gz WZGMRHTVOLWXQA-OAHLLOKOSA-N 2 2 340.265 2.319 10 0 EEAELP C[NH+](C)Cc1cc(CNC(=O)c2ccc3[nH+]ccn3c2)ccc1F ZINC000172230836 464022993 /nfs/dbraw/zinc/02/29/93/464022993.db2.gz JBLSZHKKOKUFQV-UHFFFAOYSA-N 2 2 326.375 2.465 10 0 EEAELP COC[C@@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000187081214 464095743 /nfs/dbraw/zinc/09/57/43/464095743.db2.gz PVLPNKUGOZXSRE-RBUKOAKNSA-N 2 2 346.519 2.198 10 0 EEAELP COC[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000187081214 464095746 /nfs/dbraw/zinc/09/57/46/464095746.db2.gz PVLPNKUGOZXSRE-RBUKOAKNSA-N 2 2 346.519 2.198 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000279949287 464168167 /nfs/dbraw/zinc/16/81/67/464168167.db2.gz SCJRPNVBUMNZGF-RCCFBDPRSA-N 2 2 349.425 2.453 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000279949287 464168173 /nfs/dbraw/zinc/16/81/73/464168173.db2.gz SCJRPNVBUMNZGF-RCCFBDPRSA-N 2 2 349.425 2.453 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000279949287 464168179 /nfs/dbraw/zinc/16/81/79/464168179.db2.gz SCJRPNVBUMNZGF-RCCFBDPRSA-N 2 2 349.425 2.453 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000279949287 464168187 /nfs/dbraw/zinc/16/81/87/464168187.db2.gz SCJRPNVBUMNZGF-RCCFBDPRSA-N 2 2 349.425 2.453 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000173663544 464305765 /nfs/dbraw/zinc/30/57/65/464305765.db2.gz OJAIZQPXEFBMCV-MRXNPFEDSA-N 2 2 332.835 2.490 10 0 EEAELP CCCN(CCC[NH+](C)C)C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000188606226 464321713 /nfs/dbraw/zinc/32/17/13/464321713.db2.gz SIYLKOHTOYOLQW-UHFFFAOYSA-N 2 2 344.463 2.141 10 0 EEAELP C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000180656566 464362306 /nfs/dbraw/zinc/36/23/06/464362306.db2.gz MOLVHLZRRKUHFM-NSHDSACASA-N 2 2 326.322 2.201 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000281302189 464406707 /nfs/dbraw/zinc/40/67/07/464406707.db2.gz YRTITBPYXVOCOJ-WBVHZDCISA-N 2 2 336.501 2.064 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(S(C)(=O)=O)CC1 ZINC000281302189 464406713 /nfs/dbraw/zinc/40/67/13/464406713.db2.gz YRTITBPYXVOCOJ-WBVHZDCISA-N 2 2 336.501 2.064 10 0 EEAELP C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174711517 464440502 /nfs/dbraw/zinc/44/05/02/464440502.db2.gz TYRGEPWUKCJKRL-MRXNPFEDSA-N 2 2 343.475 2.367 10 0 EEAELP Cc1cccc(-c2noc(C[N@H+](C)CCCN3CC[NH+](C)CC3)n2)c1 ZINC000174722292 464441941 /nfs/dbraw/zinc/44/19/41/464441941.db2.gz QFGYZNTXVQXUOU-UHFFFAOYSA-N 2 2 343.475 2.114 10 0 EEAELP Cc1cccc(-c2noc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)n2)c1 ZINC000174722292 464441945 /nfs/dbraw/zinc/44/19/45/464441945.db2.gz QFGYZNTXVQXUOU-UHFFFAOYSA-N 2 2 343.475 2.114 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccoc3C3CC3)CC2)CC1 ZINC000281646745 464533053 /nfs/dbraw/zinc/53/30/53/464533053.db2.gz PKDQYOGLCKJDQO-UHFFFAOYSA-N 2 2 331.460 2.445 10 0 EEAELP CC(=O)c1ccccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265483066 464575381 /nfs/dbraw/zinc/57/53/81/464575381.db2.gz LIPLDMFSNAWRPJ-UHFFFAOYSA-N 2 2 326.400 2.430 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000175721308 464609606 /nfs/dbraw/zinc/60/96/06/464609606.db2.gz HLTGTNOCTIEVFG-GDBMZVCRSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000175721308 464609612 /nfs/dbraw/zinc/60/96/12/464609612.db2.gz HLTGTNOCTIEVFG-GDBMZVCRSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000175721308 464609618 /nfs/dbraw/zinc/60/96/18/464609618.db2.gz HLTGTNOCTIEVFG-GDBMZVCRSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000175721308 464609626 /nfs/dbraw/zinc/60/96/26/464609626.db2.gz HLTGTNOCTIEVFG-GDBMZVCRSA-N 2 2 349.475 2.304 10 0 EEAELP Cc1cn2cc(NC(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)ccc2[nH+]1 ZINC000265758297 464674065 /nfs/dbraw/zinc/67/40/65/464674065.db2.gz ZACUKDDWDMXSOY-MRXNPFEDSA-N 2 2 345.447 2.121 10 0 EEAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182876361 464748114 /nfs/dbraw/zinc/74/81/14/464748114.db2.gz CMZAIJQQXJJDNT-MRXNPFEDSA-N 2 2 327.432 2.327 10 0 EEAELP Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3)C2)n1 ZINC000182876361 464748123 /nfs/dbraw/zinc/74/81/23/464748123.db2.gz CMZAIJQQXJJDNT-MRXNPFEDSA-N 2 2 327.432 2.327 10 0 EEAELP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275278790 464768579 /nfs/dbraw/zinc/76/85/79/464768579.db2.gz KGUANMVAJNKSGL-CQSZACIVSA-N 2 2 343.431 2.252 10 0 EEAELP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)no1 ZINC000275278790 464768585 /nfs/dbraw/zinc/76/85/85/464768585.db2.gz KGUANMVAJNKSGL-CQSZACIVSA-N 2 2 343.431 2.252 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2nc3ccccc3n2C)CCO1 ZINC000275702565 464785201 /nfs/dbraw/zinc/78/52/01/464785201.db2.gz XREPLSLYDRNLAB-DYVFJYSZSA-N 2 2 325.416 2.317 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000337374812 465334087 /nfs/dbraw/zinc/33/40/87/465334087.db2.gz ULWLERXKXUMVQU-KSZLIROESA-N 2 2 345.487 2.001 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)OC[C@@H]2C)CC1 ZINC000337374812 465334094 /nfs/dbraw/zinc/33/40/94/465334094.db2.gz ULWLERXKXUMVQU-KSZLIROESA-N 2 2 345.487 2.001 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000348154729 465455033 /nfs/dbraw/zinc/45/50/33/465455033.db2.gz BLWNHFUCLMUGSD-WBMJQRKESA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000348154729 465455042 /nfs/dbraw/zinc/45/50/42/465455042.db2.gz BLWNHFUCLMUGSD-WBMJQRKESA-N 2 2 328.416 2.106 10 0 EEAELP CC(C)[C@@H](CCO)[NH2+][C@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000348294381 465536568 /nfs/dbraw/zinc/53/65/68/465536568.db2.gz VJZMXMYTVLDKPM-CZUORRHYSA-N 2 2 330.432 2.400 10 0 EEAELP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000339864307 465560711 /nfs/dbraw/zinc/56/07/11/465560711.db2.gz CCWZIQMVDWDQHO-QGZVFWFLSA-N 2 2 342.549 2.399 10 0 EEAELP CS(=O)(=O)CC1(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000339864307 465560716 /nfs/dbraw/zinc/56/07/16/465560716.db2.gz CCWZIQMVDWDQHO-QGZVFWFLSA-N 2 2 342.549 2.399 10 0 EEAELP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000362393703 465703766 /nfs/dbraw/zinc/70/37/66/465703766.db2.gz WILJDYSPPCRWOR-APWZRJJASA-N 2 2 329.488 2.454 10 0 EEAELP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000362393703 465703777 /nfs/dbraw/zinc/70/37/77/465703777.db2.gz WILJDYSPPCRWOR-APWZRJJASA-N 2 2 329.488 2.454 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000362393703 465703786 /nfs/dbraw/zinc/70/37/86/465703786.db2.gz WILJDYSPPCRWOR-APWZRJJASA-N 2 2 329.488 2.454 10 0 EEAELP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000362393703 465703795 /nfs/dbraw/zinc/70/37/95/465703795.db2.gz WILJDYSPPCRWOR-APWZRJJASA-N 2 2 329.488 2.454 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348646064 465726599 /nfs/dbraw/zinc/72/65/99/465726599.db2.gz RULSYTBEVBOWPN-NSISKUIASA-N 2 2 325.456 2.268 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000348646064 465726603 /nfs/dbraw/zinc/72/66/03/465726603.db2.gz RULSYTBEVBOWPN-NSISKUIASA-N 2 2 325.456 2.268 10 0 EEAELP Cc1noc(C)c1CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353322152 465796482 /nfs/dbraw/zinc/79/64/82/465796482.db2.gz BLIAXESESFESMU-JWTNVVGKSA-N 2 2 332.492 2.077 10 0 EEAELP Cc1noc(C)c1CCN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000353322152 465796483 /nfs/dbraw/zinc/79/64/83/465796483.db2.gz BLIAXESESFESMU-JWTNVVGKSA-N 2 2 332.492 2.077 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cnc2n1 ZINC000371469874 465817187 /nfs/dbraw/zinc/81/71/87/465817187.db2.gz HCIOPLDBBDBTFH-KBAYOESNSA-N 2 2 343.475 2.030 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cnc2n1 ZINC000371469874 465817188 /nfs/dbraw/zinc/81/71/88/465817188.db2.gz HCIOPLDBBDBTFH-KBAYOESNSA-N 2 2 343.475 2.030 10 0 EEAELP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccccc1F ZINC000338217726 465910145 /nfs/dbraw/zinc/91/01/45/465910145.db2.gz YCUDQAOQTZRBLZ-UHFFFAOYSA-N 2 2 349.450 2.199 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[NH+]3CCC2CC3)CC1 ZINC000349293561 466054117 /nfs/dbraw/zinc/05/41/17/466054117.db2.gz FEVQAJYCIAIWKT-UHFFFAOYSA-N 3 2 342.531 2.499 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[NH+]3CCC2CC3)CC1 ZINC000349293561 466054122 /nfs/dbraw/zinc/05/41/22/466054122.db2.gz FEVQAJYCIAIWKT-UHFFFAOYSA-N 3 2 342.531 2.499 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]CCc2noc3ccccc23)CC1 ZINC000597173052 468470595 /nfs/dbraw/zinc/47/05/95/468470595.db2.gz LTEFPQHGIYXJAR-UHFFFAOYSA-N 2 2 345.443 2.378 10 0 EEAELP CC[C@H](Cn1cncn1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000340517109 466148683 /nfs/dbraw/zinc/14/86/83/466148683.db2.gz KXNNMNNPBOTBSY-OAHLLOKOSA-N 2 2 343.479 2.094 10 0 EEAELP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357830432 466245854 /nfs/dbraw/zinc/24/58/54/466245854.db2.gz MWAMMUSAHNNTQZ-MRXNPFEDSA-N 2 2 347.507 2.470 10 0 EEAELP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000357830432 466245859 /nfs/dbraw/zinc/24/58/59/466245859.db2.gz MWAMMUSAHNNTQZ-MRXNPFEDSA-N 2 2 347.507 2.470 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)C2 ZINC000372406808 466356692 /nfs/dbraw/zinc/35/66/92/466356692.db2.gz ZZWZMMRJIWHZQM-BFHYXJOUSA-N 2 2 330.476 2.379 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](C3CC3)C1)C2 ZINC000372406808 466356701 /nfs/dbraw/zinc/35/67/01/466356701.db2.gz ZZWZMMRJIWHZQM-BFHYXJOUSA-N 2 2 330.476 2.379 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@@H+]1C ZINC000340995943 466499202 /nfs/dbraw/zinc/49/92/02/466499202.db2.gz YLPHOBMYTNRJJA-QAPCUYQASA-N 2 2 341.459 2.213 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC[N@H+]1C ZINC000340995943 466499210 /nfs/dbraw/zinc/49/92/10/466499210.db2.gz YLPHOBMYTNRJJA-QAPCUYQASA-N 2 2 341.459 2.213 10 0 EEAELP CN(C)c1nc(NCC2([NH+]3CCSCC3)CCCCC2)cc[nH+]1 ZINC000354351750 466499441 /nfs/dbraw/zinc/49/94/41/466499441.db2.gz FMTAVYLKLUIAHY-UHFFFAOYSA-N 2 2 335.521 2.706 10 0 EEAELP CC1=CC[N@H+](CC[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000358240767 466565610 /nfs/dbraw/zinc/56/56/10/466565610.db2.gz ROHDXZMMEKZATC-OAHLLOKOSA-N 2 2 337.489 2.361 10 0 EEAELP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000358240767 466565617 /nfs/dbraw/zinc/56/56/17/466565617.db2.gz ROHDXZMMEKZATC-OAHLLOKOSA-N 2 2 337.489 2.361 10 0 EEAELP Cn1cc[nH+]c1CN1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000347437106 466631417 /nfs/dbraw/zinc/63/14/17/466631417.db2.gz KTCOCEVJTHQHJE-UHFFFAOYSA-N 2 2 328.460 2.145 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)on1 ZINC000408524679 466678934 /nfs/dbraw/zinc/67/89/34/466678934.db2.gz XKTADQZJSNAXLZ-CQSZACIVSA-N 2 2 344.415 2.332 10 0 EEAELP COc1cc(C[N@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)on1 ZINC000408524679 466678938 /nfs/dbraw/zinc/67/89/38/466678938.db2.gz XKTADQZJSNAXLZ-CQSZACIVSA-N 2 2 344.415 2.332 10 0 EEAELP Cc1cc[nH+]c(C)c1NC(=O)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000376593846 466920785 /nfs/dbraw/zinc/92/07/85/466920785.db2.gz WUQXDMDMLPMSIP-MRXNPFEDSA-N 2 2 332.448 2.417 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417936005 466993616 /nfs/dbraw/zinc/99/36/16/466993616.db2.gz FHGMPXZRSRPARE-ZIAGYGMSSA-N 2 2 342.846 2.261 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417936005 466993620 /nfs/dbraw/zinc/99/36/20/466993620.db2.gz FHGMPXZRSRPARE-ZIAGYGMSSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@@H]1CC(C)(C)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000413212363 467191413 /nfs/dbraw/zinc/19/14/13/467191413.db2.gz YGVLYVXNIYGRPB-OAHLLOKOSA-N 2 2 336.524 2.375 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000428422637 467232110 /nfs/dbraw/zinc/23/21/10/467232110.db2.gz RRLFCZXBYHMNHS-FGTMMUONSA-N 2 2 331.508 2.336 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000428422637 467232114 /nfs/dbraw/zinc/23/21/14/467232114.db2.gz RRLFCZXBYHMNHS-FGTMMUONSA-N 2 2 331.508 2.336 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429042212 467295221 /nfs/dbraw/zinc/29/52/21/467295221.db2.gz QOBFPWXQUAHHIW-HXUWFJFHSA-N 2 2 345.487 2.071 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429042212 467295226 /nfs/dbraw/zinc/29/52/26/467295226.db2.gz QOBFPWXQUAHHIW-HXUWFJFHSA-N 2 2 345.487 2.071 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429042212 467295229 /nfs/dbraw/zinc/29/52/29/467295229.db2.gz QOBFPWXQUAHHIW-HXUWFJFHSA-N 2 2 345.487 2.071 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429042212 467295234 /nfs/dbraw/zinc/29/52/34/467295234.db2.gz QOBFPWXQUAHHIW-HXUWFJFHSA-N 2 2 345.487 2.071 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420384624 467389010 /nfs/dbraw/zinc/38/90/10/467389010.db2.gz UIQNPTFGQWFNPL-IFXJQAMLSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420384624 467389012 /nfs/dbraw/zinc/38/90/12/467389012.db2.gz UIQNPTFGQWFNPL-IFXJQAMLSA-N 2 2 344.459 2.048 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(c3ccnc(C4CC4)n3)CC2)CC1 ZINC000420622143 467435958 /nfs/dbraw/zinc/43/59/58/467435958.db2.gz FLPRNGRHPLORIL-UHFFFAOYSA-N 2 2 329.492 2.350 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(c3ccnc(C4CC4)n3)CC2)CC1 ZINC000420622143 467435961 /nfs/dbraw/zinc/43/59/61/467435961.db2.gz FLPRNGRHPLORIL-UHFFFAOYSA-N 2 2 329.492 2.350 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCc1ccc(F)cc1 ZINC000434976545 467439138 /nfs/dbraw/zinc/43/91/38/467439138.db2.gz CNNNAQAISNWSSB-UHFFFAOYSA-N 2 2 330.407 2.087 10 0 EEAELP CN(C)c1nc(N2CCC[C@H]2c2[nH+]c3c(n2C)CCCC3)cc[nH+]1 ZINC000408030974 467497014 /nfs/dbraw/zinc/49/70/14/467497014.db2.gz JRCZPMQAPRKHAG-HNNXBMFYSA-N 2 2 326.448 2.496 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000457729859 467690320 /nfs/dbraw/zinc/69/03/20/467690320.db2.gz IXJWBZNZXBSTHM-UHFFFAOYSA-N 2 2 332.835 2.019 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000457729859 467690326 /nfs/dbraw/zinc/69/03/26/467690326.db2.gz IXJWBZNZXBSTHM-UHFFFAOYSA-N 2 2 332.835 2.019 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(C4(C)CC4)CC3)CC2)CC1 ZINC000458106773 467769867 /nfs/dbraw/zinc/76/98/67/467769867.db2.gz CWSNRHFKLILMFN-UHFFFAOYSA-N 2 2 334.508 2.177 10 0 EEAELP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000458258154 467798394 /nfs/dbraw/zinc/79/83/94/467798394.db2.gz UBCWNBHARVEFHO-GFCCVEGCSA-N 2 2 347.385 2.071 10 0 EEAELP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000458258154 467798399 /nfs/dbraw/zinc/79/83/99/467798399.db2.gz UBCWNBHARVEFHO-GFCCVEGCSA-N 2 2 347.385 2.071 10 0 EEAELP CN(C)c1nc(N2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)cc[nH+]1 ZINC000450430668 467849331 /nfs/dbraw/zinc/84/93/31/467849331.db2.gz UFFAKJXZZUTFGZ-CQSZACIVSA-N 2 2 339.434 2.490 10 0 EEAELP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C[C@@H]1COCCO1 ZINC000450768760 467904935 /nfs/dbraw/zinc/90/49/35/467904935.db2.gz WXATXQAXUXLSOO-RTBURBONSA-N 2 2 332.488 2.464 10 0 EEAELP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C[C@@H]1COCCO1 ZINC000450768760 467904937 /nfs/dbraw/zinc/90/49/37/467904937.db2.gz WXATXQAXUXLSOO-RTBURBONSA-N 2 2 332.488 2.464 10 0 EEAELP CC1(C)C[NH+](CC(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000515867549 468007041 /nfs/dbraw/zinc/00/70/41/468007041.db2.gz VTNTUFMDULFAPP-UHFFFAOYSA-N 2 2 345.487 2.171 10 0 EEAELP Cc1c(Cl)cc(F)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])c1F ZINC000582892890 468611812 /nfs/dbraw/zinc/61/18/12/468611812.db2.gz DXHQAPLUZOIFTA-SECBINFHSA-N 2 2 332.782 2.033 10 0 EEAELP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC1([NH3+])CCOCC1)CCC2 ZINC000600708947 468627999 /nfs/dbraw/zinc/62/79/99/468627999.db2.gz MAFWYGPKPBIGAV-ZDUSSCGKSA-N 2 2 336.432 2.240 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[N@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)nc2c1 ZINC000595348610 468820309 /nfs/dbraw/zinc/82/03/09/468820309.db2.gz UGJPRBKFTSQPGD-TZMCWYRMSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[N@@H+](C)[C@@H]3CC[NH+](C)[C@H](C)C3)nc2c1 ZINC000595348610 468820313 /nfs/dbraw/zinc/82/03/13/468820313.db2.gz UGJPRBKFTSQPGD-TZMCWYRMSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@H+](C)[C@H](C)C3)nc2c1 ZINC000595348610 468820316 /nfs/dbraw/zinc/82/03/16/468820316.db2.gz UGJPRBKFTSQPGD-TZMCWYRMSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[NH+](C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)nc2c1 ZINC000595348610 468820319 /nfs/dbraw/zinc/82/03/19/468820319.db2.gz UGJPRBKFTSQPGD-TZMCWYRMSA-N 2 2 330.432 2.264 10 0 EEAELP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000560498972 468820998 /nfs/dbraw/zinc/82/09/98/468820998.db2.gz PQXHRYXZYJXXFV-MAUKXSAKSA-N 2 2 341.459 2.097 10 0 EEAELP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000560498972 468821002 /nfs/dbraw/zinc/82/10/02/468821002.db2.gz PQXHRYXZYJXXFV-MAUKXSAKSA-N 2 2 341.459 2.097 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000571875321 468851544 /nfs/dbraw/zinc/85/15/44/468851544.db2.gz MFTZKDKEQFXLAH-UONOGXRCSA-N 2 2 332.366 2.129 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000571875321 468851550 /nfs/dbraw/zinc/85/15/50/468851550.db2.gz MFTZKDKEQFXLAH-UONOGXRCSA-N 2 2 332.366 2.129 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573370350 469118372 /nfs/dbraw/zinc/11/83/72/469118372.db2.gz BANWNOPJLJURNJ-KBXCAEBGSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000573370350 469118380 /nfs/dbraw/zinc/11/83/80/469118380.db2.gz BANWNOPJLJURNJ-KBXCAEBGSA-N 2 2 335.879 2.420 10 0 EEAELP Cc1cc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cc(C)c1O ZINC000573645916 469176148 /nfs/dbraw/zinc/17/61/48/469176148.db2.gz ZAXHOLPQWZGOSF-INIZCTEOSA-N 2 2 342.443 2.023 10 0 EEAELP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCc3cn(C)c[nH+]3)C2)CC1 ZINC000573804019 469210399 /nfs/dbraw/zinc/21/03/99/469210399.db2.gz HZXIABQWZJPACH-QGZVFWFLSA-N 2 2 347.507 2.116 10 0 EEAELP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000599337498 469216957 /nfs/dbraw/zinc/21/69/57/469216957.db2.gz AHOUPVKSDNVBEO-KRWDZBQOSA-N 2 2 341.540 2.312 10 0 EEAELP CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000599337498 469216965 /nfs/dbraw/zinc/21/69/65/469216965.db2.gz AHOUPVKSDNVBEO-KRWDZBQOSA-N 2 2 341.540 2.312 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(C)noc1C ZINC000602202398 469240125 /nfs/dbraw/zinc/24/01/25/469240125.db2.gz JFXQLOOSPKGTFD-DOTOQJQBSA-N 2 2 348.491 2.070 10 0 EEAELP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(C)noc1C ZINC000602202398 469240128 /nfs/dbraw/zinc/24/01/28/469240128.db2.gz JFXQLOOSPKGTFD-DOTOQJQBSA-N 2 2 348.491 2.070 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[N@@H+]1Cc1ccccc1 ZINC000612300306 469432811 /nfs/dbraw/zinc/43/28/11/469432811.db2.gz MGTMXXXLUNAYHO-DJIMGWMZSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C[N@H+]1Cc1ccccc1 ZINC000612300306 469432813 /nfs/dbraw/zinc/43/28/13/469432813.db2.gz MGTMXXXLUNAYHO-DJIMGWMZSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[N@@H+]1Cc1ccccc1 ZINC000612300306 469432818 /nfs/dbraw/zinc/43/28/18/469432818.db2.gz MGTMXXXLUNAYHO-DJIMGWMZSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C[N@H+]1Cc1ccccc1 ZINC000612300306 469432819 /nfs/dbraw/zinc/43/28/19/469432819.db2.gz MGTMXXXLUNAYHO-DJIMGWMZSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C ZINC000617507001 469706898 /nfs/dbraw/zinc/70/68/98/469706898.db2.gz DVYPVODZEQAXDX-JYJNAYRXSA-N 2 2 339.524 2.016 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C ZINC000617507001 469706903 /nfs/dbraw/zinc/70/69/03/469706903.db2.gz DVYPVODZEQAXDX-JYJNAYRXSA-N 2 2 339.524 2.016 10 0 EEAELP C[C@H]1CC[C@@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C[NH2+]1 ZINC000626996343 469782598 /nfs/dbraw/zinc/78/25/98/469782598.db2.gz PSDMCKMINNVAJK-DOTOQJQBSA-N 2 2 341.459 2.066 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000617763558 469795945 /nfs/dbraw/zinc/79/59/45/469795945.db2.gz UWEXJTQFCNDPHD-ZWKOTPCHSA-N 2 2 349.544 2.133 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CSC[C@H]1c1ccccc1 ZINC000617763558 469795949 /nfs/dbraw/zinc/79/59/49/469795949.db2.gz UWEXJTQFCNDPHD-ZWKOTPCHSA-N 2 2 349.544 2.133 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000627046975 469801456 /nfs/dbraw/zinc/80/14/56/469801456.db2.gz NKTDMCHJPZHYRM-LSDHHAIUSA-N 2 2 347.850 2.465 10 0 EEAELP Cn1nccc1[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624020147 469818616 /nfs/dbraw/zinc/81/86/16/469818616.db2.gz JBERXTUQIPUFFH-RDGPPVDQSA-N 2 2 340.471 2.239 10 0 EEAELP Cn1nccc1[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624020147 469818623 /nfs/dbraw/zinc/81/86/23/469818623.db2.gz JBERXTUQIPUFFH-RDGPPVDQSA-N 2 2 340.471 2.239 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000608443115 469819688 /nfs/dbraw/zinc/81/96/88/469819688.db2.gz PJLWLQTXOUYMHO-MRXNPFEDSA-N 2 2 333.480 2.309 10 0 EEAELP Cc1cn(CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)c(C)[nH+]1 ZINC000631014860 470049704 /nfs/dbraw/zinc/04/97/04/470049704.db2.gz LINYZPJWQMAMGW-INIZCTEOSA-N 2 2 326.444 2.405 10 0 EEAELP C[C@@]1(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCS1 ZINC000628210445 470076703 /nfs/dbraw/zinc/07/67/03/470076703.db2.gz XOROLWCPGJWWKQ-SFHVURJKSA-N 3 2 334.533 2.469 10 0 EEAELP Cc1nc(C)c(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)o1 ZINC000628209532 470076748 /nfs/dbraw/zinc/07/67/48/470076748.db2.gz JIBYRMNFOHQELR-UHFFFAOYSA-N 2 2 345.443 2.292 10 0 EEAELP Cc1nc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)nc(N)[nH+]1 ZINC000631142158 470078536 /nfs/dbraw/zinc/07/85/36/470078536.db2.gz HASFAZXULRZUOB-LJQANCHMSA-N 2 2 338.459 2.255 10 0 EEAELP Cc1nc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc(N)[nH+]1 ZINC000631142158 470078537 /nfs/dbraw/zinc/07/85/37/470078537.db2.gz HASFAZXULRZUOB-LJQANCHMSA-N 2 2 338.459 2.255 10 0 EEAELP Cc1nc(N)nc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)[nH+]1 ZINC000631142158 470078539 /nfs/dbraw/zinc/07/85/39/470078539.db2.gz HASFAZXULRZUOB-LJQANCHMSA-N 2 2 338.459 2.255 10 0 EEAELP Cc1nc(N)nc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)[nH+]1 ZINC000631142158 470078542 /nfs/dbraw/zinc/07/85/42/470078542.db2.gz HASFAZXULRZUOB-LJQANCHMSA-N 2 2 338.459 2.255 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC[N@@H+]1C ZINC000628770459 470153958 /nfs/dbraw/zinc/15/39/58/470153958.db2.gz TZQSRFXKTFYTLY-NOLJZWGESA-N 2 2 330.407 2.485 10 0 EEAELP C[C@H]1C[C@@H](C(=O)N[C@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC[N@H+]1C ZINC000628770459 470153959 /nfs/dbraw/zinc/15/39/59/470153959.db2.gz TZQSRFXKTFYTLY-NOLJZWGESA-N 2 2 330.407 2.485 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888001 470189598 /nfs/dbraw/zinc/18/95/98/470189598.db2.gz VRKXXFDTOKTSNJ-PKOBYXMFSA-N 2 2 345.487 2.118 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631888001 470189599 /nfs/dbraw/zinc/18/95/99/470189599.db2.gz VRKXXFDTOKTSNJ-PKOBYXMFSA-N 2 2 345.487 2.118 10 0 EEAELP C[NH+]1CCC(C)(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000632351304 470219909 /nfs/dbraw/zinc/21/99/09/470219909.db2.gz YZTQCUNPCVYKQD-UHFFFAOYSA-N 2 2 326.444 2.263 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)C1 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EEAELP COCC[NH+]1CCC([NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647176123 470848523 /nfs/dbraw/zinc/84/85/23/470848523.db2.gz VHBBGDJRQULFMN-UHFFFAOYSA-N 2 2 328.460 2.381 10 0 EEAELP C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3C[NH2+]C[C@@H](C)C3)cc2)C[C@H](C)O1 ZINC000647551072 470929175 /nfs/dbraw/zinc/92/91/75/470929175.db2.gz XGMYQUIWULSKQG-YIOZNXECSA-N 2 2 345.487 2.024 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000644649629 471005085 /nfs/dbraw/zinc/00/50/85/471005085.db2.gz UPEMVNAWFMDNDR-MOPGFXCFSA-N 2 2 344.430 2.212 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1COc2ccc(F)cc2C1 ZINC000644649629 471005088 /nfs/dbraw/zinc/00/50/88/471005088.db2.gz UPEMVNAWFMDNDR-MOPGFXCFSA-N 2 2 344.430 2.212 10 0 EEAELP C[N@@H+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000651050455 471034174 /nfs/dbraw/zinc/03/41/74/471034174.db2.gz WWFIPDVSWOXWHW-GOSISDBHSA-N 2 2 338.455 2.277 10 0 EEAELP C[N@H+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H](c2ccccc2)C1 ZINC000651050455 471034176 /nfs/dbraw/zinc/03/41/76/471034176.db2.gz WWFIPDVSWOXWHW-GOSISDBHSA-N 2 2 338.455 2.277 10 0 EEAELP CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000660387692 471318189 /nfs/dbraw/zinc/31/81/89/471318189.db2.gz DNJKFCZATCUYCP-UHFFFAOYSA-N 2 2 345.491 2.165 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655470747 471339649 /nfs/dbraw/zinc/33/96/49/471339649.db2.gz NOFUSDAUFBNJHE-RDJZCZTQSA-N 2 2 339.842 2.483 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000655470747 471339651 /nfs/dbraw/zinc/33/96/51/471339651.db2.gz NOFUSDAUFBNJHE-RDJZCZTQSA-N 2 2 339.842 2.483 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000660453452 471349349 /nfs/dbraw/zinc/34/93/49/471349349.db2.gz NMGUPIDCYOBIJZ-UHFFFAOYSA-N 2 2 335.411 2.356 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000666461405 471411146 /nfs/dbraw/zinc/41/11/46/471411146.db2.gz GZZPTPVPFUDHOZ-OAGGEKHMSA-N 2 2 332.492 2.389 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000666461405 471411150 /nfs/dbraw/zinc/41/11/50/471411150.db2.gz GZZPTPVPFUDHOZ-OAGGEKHMSA-N 2 2 332.492 2.389 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663576297 471434740 /nfs/dbraw/zinc/43/47/40/471434740.db2.gz UPTMGUIZQIMKCF-INIZCTEOSA-N 2 2 339.487 2.423 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CCN(c2[nH+]ccc3c(N)cccc32)CC1 ZINC000663576297 471434746 /nfs/dbraw/zinc/43/47/46/471434746.db2.gz UPTMGUIZQIMKCF-INIZCTEOSA-N 2 2 339.487 2.423 10 0 EEAELP CCN(C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CC[N@H+](C)C1 ZINC000663589665 471439063 /nfs/dbraw/zinc/43/90/63/471439063.db2.gz BYTVCOSHTACCMM-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CCN(C(=O)NCc1ccc(N2CCCCC2)[nH+]c1)[C@@H]1CC[N@@H+](C)C1 ZINC000663589665 471439068 /nfs/dbraw/zinc/43/90/68/471439068.db2.gz BYTVCOSHTACCMM-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000669496362 471522680 /nfs/dbraw/zinc/52/26/80/471522680.db2.gz CUJFXZJTIUPEMD-UHFFFAOYSA-N 2 2 327.432 2.142 10 0 EEAELP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC000663814847 471530950 /nfs/dbraw/zinc/53/09/50/471530950.db2.gz SEHSWPNEDMICEQ-HNNXBMFYSA-N 2 2 345.422 2.247 10 0 EEAELP CCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CC[N@@H+](C)C1 ZINC000663814847 471530951 /nfs/dbraw/zinc/53/09/51/471530951.db2.gz SEHSWPNEDMICEQ-HNNXBMFYSA-N 2 2 345.422 2.247 10 0 EEAELP C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664087634 471633547 /nfs/dbraw/zinc/63/35/47/471633547.db2.gz PDBKAJOTJAAMQX-MAUKXSAKSA-N 2 2 332.492 2.103 10 0 EEAELP C[C@H]1Cc2ccccc2[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664087634 471633552 /nfs/dbraw/zinc/63/35/52/471633552.db2.gz PDBKAJOTJAAMQX-MAUKXSAKSA-N 2 2 332.492 2.103 10 0 EEAELP Cc1cccc2[nH+]c(CCNC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)cn21 ZINC000661349408 471725333 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330.472 2.171 10 0 EEAELP O[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C12CCC2 ZINC000661828369 471896445 /nfs/dbraw/zinc/89/64/45/471896445.db2.gz SYLMYTYCRVIGPP-CEXWTWQISA-N 2 2 330.472 2.171 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c2ncnn21 ZINC000665235973 471975689 /nfs/dbraw/zinc/97/56/89/471975689.db2.gz DRGGMLPPVLLSIG-PXMRGAAZSA-N 2 2 325.416 2.129 10 0 EEAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000665347178 472014593 /nfs/dbraw/zinc/01/45/93/472014593.db2.gz FVYJDHHHXBJGPL-XJKSGUPXSA-N 2 2 328.416 2.061 10 0 EEAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000665347178 472014596 /nfs/dbraw/zinc/01/45/96/472014596.db2.gz FVYJDHHHXBJGPL-XJKSGUPXSA-N 2 2 328.416 2.061 10 0 EEAELP COc1cc(CCC2CC[NH+](C[C@H]3C[NH2+]CCO3)CC2)cc(OC)c1 ZINC000662248449 472041651 /nfs/dbraw/zinc/04/16/51/472041651.db2.gz BXUUIEPQJFVWIQ-HXUWFJFHSA-N 2 2 348.487 2.337 10 0 EEAELP CC(C)Oc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 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OPZOFUXPOSLNSX-XLIONFOSSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000679044523 485572447 /nfs/dbraw/zinc/57/24/47/485572447.db2.gz OPZOFUXPOSLNSX-XLIONFOSSA-N 2 2 332.488 2.418 10 0 EEAELP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cncn2C)cn1 ZINC000583616570 485580461 /nfs/dbraw/zinc/58/04/61/485580461.db2.gz NMDCIHHVRCZYIG-FUHWJXTLSA-N 2 2 330.480 2.370 10 0 EEAELP CC(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)cn1 ZINC000583616570 485580468 /nfs/dbraw/zinc/58/04/68/485580468.db2.gz NMDCIHHVRCZYIG-FUHWJXTLSA-N 2 2 330.480 2.370 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000629542323 485730523 /nfs/dbraw/zinc/73/05/23/485730523.db2.gz DOBUMIXRSPNAIG-ZVZYQTTQSA-N 2 2 329.448 2.148 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000684428144 485879851 /nfs/dbraw/zinc/87/98/51/485879851.db2.gz IPNYOTJNWVPWSX-UHFFFAOYSA-N 2 2 330.457 2.358 10 0 EEAELP 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1185978745 /nfs/dbraw/zinc/97/87/45/1185978745.db2.gz HLPXLTPHWOIRDJ-OAHLLOKOSA-N 2 2 328.460 2.194 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001482956147 1187883399 /nfs/dbraw/zinc/88/33/99/1187883399.db2.gz FYTTVRZQDHJRNG-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP O=C(NCC=CC[NH2+]C[C@@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001483024172 1188014387 /nfs/dbraw/zinc/01/43/87/1188014387.db2.gz SOOWKIIRRCZNDO-GWQWAINWSA-N 2 2 328.416 2.008 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]CCc1ccc(Cl)cc1 ZINC001483077798 1188435673 /nfs/dbraw/zinc/43/56/73/1188435673.db2.gz MDSWJPGSXNHIAO-UPHRSURJSA-N 2 2 332.835 2.110 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(F)cc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001483229887 1189556629 /nfs/dbraw/zinc/55/66/29/1189556629.db2.gz RRZAXBXKTHIFJE-AWEZNQCLSA-N 2 2 344.434 2.196 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2cnccc2C)c[nH+]1 ZINC001409401213 1189626640 /nfs/dbraw/zinc/62/66/40/1189626640.db2.gz WONZPDJLNKHIDY-HZPDHXFCSA-N 2 2 343.475 2.313 10 0 EEAELP Cc1nocc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001485888739 1193630635 /nfs/dbraw/zinc/63/06/35/1193630635.db2.gz RGASEFGYOXYRER-PBHICJAKSA-N 2 2 347.463 2.403 10 0 EEAELP Cc1nocc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001485888741 1193630776 /nfs/dbraw/zinc/63/07/76/1193630776.db2.gz RGASEFGYOXYRER-WMLDXEAASA-N 2 2 347.463 2.403 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@H](C)CN(C)C(=O)Cc1[nH]c[nH+]c1C ZINC001485949301 1193645578 /nfs/dbraw/zinc/64/55/78/1193645578.db2.gz OCQYYTKYBNAMDE-GFCCVEGCSA-N 2 2 347.463 2.317 10 0 EEAELP CN(CCC[NH2+][C@H]1CCc2ccc(F)cc21)C(=O)Cc1c[nH+]c[nH]1 ZINC001483494108 1190511459 /nfs/dbraw/zinc/51/14/59/1190511459.db2.gz CFYFRVQPDUZKNL-KRWDZBQOSA-N 2 2 330.407 2.217 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2csc(C3CC3)n2)CC1 ZINC001483795383 1191034974 /nfs/dbraw/zinc/03/49/74/1191034974.db2.gz SPXLWEQECOGIFP-UHFFFAOYSA-N 2 2 336.505 2.099 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NCC1([NH2+]Cc2csc(C3CC3)n2)CC1 ZINC001483795383 1191034977 /nfs/dbraw/zinc/03/49/77/1191034977.db2.gz SPXLWEQECOGIFP-UHFFFAOYSA-N 2 2 336.505 2.099 10 0 EEAELP C[C@@H](CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCOCC2)C1)n1cc[nH+]c1 ZINC001484113476 1191214329 /nfs/dbraw/zinc/21/43/29/1191214329.db2.gz GNRGHVRKJQOHPH-LPHOPBHVSA-N 2 2 348.491 2.089 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([C@@H](C)[NH2+]CCCF)C3)ccn12 ZINC001484337781 1191309930 /nfs/dbraw/zinc/30/99/30/1191309930.db2.gz ZXZYQIRMFFAVLB-ZBFHGGJFSA-N 2 2 332.423 2.443 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001484374373 1191322214 /nfs/dbraw/zinc/32/22/14/1191322214.db2.gz UPHUWSLNJYOKDX-WBVHZDCISA-N 2 2 334.508 2.473 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]C/C=C/c2ccccc2)C1 ZINC001484544357 1191407122 /nfs/dbraw/zinc/40/71/22/1191407122.db2.gz VBNWSIQVGQQIBJ-UKTKYZJWSA-N 2 2 338.455 2.494 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CCC2(C[NH+](CCC(C)(C)C)C2)O1 ZINC001484790529 1191527211 /nfs/dbraw/zinc/52/72/11/1191527211.db2.gz MJCPLAUPUIWUFW-OAHLLOKOSA-N 2 2 348.491 2.046 10 0 EEAELP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1nc2ccccc2o1 ZINC001484996494 1191607051 /nfs/dbraw/zinc/60/70/51/1191607051.db2.gz MBZPEBRRZGGTED-AWEZNQCLSA-N 2 2 341.415 2.099 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001485176615 1191677454 /nfs/dbraw/zinc/67/74/54/1191677454.db2.gz KLYXPYPWVHSCAZ-HZPDHXFCSA-N 2 2 344.459 2.273 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001485235455 1191701302 /nfs/dbraw/zinc/70/13/02/1191701302.db2.gz XIRXFUIDRNZHNU-GJZGRUSLSA-N 2 2 326.444 2.444 10 0 EEAELP Cc1ncc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)s1 ZINC001485486427 1191809394 /nfs/dbraw/zinc/80/93/94/1191809394.db2.gz YEMIKYWNGDFVOR-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1ncc(C[N@H+]2CCCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)s1 ZINC001485486427 1191809395 /nfs/dbraw/zinc/80/93/95/1191809395.db2.gz YEMIKYWNGDFVOR-OAHLLOKOSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1ncoc1C[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001486374408 1193880361 /nfs/dbraw/zinc/88/03/61/1193880361.db2.gz XEVFSRDLMXTEIB-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1ncoc1C[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001486374408 1193880365 /nfs/dbraw/zinc/88/03/65/1193880365.db2.gz XEVFSRDLMXTEIB-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1ncoc1C[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001486374408 1193880370 /nfs/dbraw/zinc/88/03/70/1193880370.db2.gz XEVFSRDLMXTEIB-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP Cc1ncoc1C[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001486374408 1193880374 /nfs/dbraw/zinc/88/03/74/1193880374.db2.gz XEVFSRDLMXTEIB-INIZCTEOSA-N 2 2 336.480 2.136 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccnc(Cl)c1)NC(=O)CCn1cc[nH+]c1 ZINC001272945247 1193958583 /nfs/dbraw/zinc/95/85/83/1193958583.db2.gz VYIZVLNLLDSGKU-CYBMUJFWSA-N 2 2 335.839 2.006 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C1CC[NH+](Cc2cncs2)CC1 ZINC001486450966 1193966535 /nfs/dbraw/zinc/96/65/35/1193966535.db2.gz QRKVNKLKMILRMO-LBPRGKRZSA-N 2 2 347.488 2.134 10 0 EEAELP C[C@H](CC(=O)NCC1=CC[N@H+](C[C@@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC001486516455 1194022084 /nfs/dbraw/zinc/02/20/84/1194022084.db2.gz IGEOMKRHBPCGQT-AEFFLSMTSA-N 2 2 346.475 2.009 10 0 EEAELP C[C@H](CC(=O)NCC1=CC[N@@H+](C[C@@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC001486516455 1194022089 /nfs/dbraw/zinc/02/20/89/1194022089.db2.gz IGEOMKRHBPCGQT-AEFFLSMTSA-N 2 2 346.475 2.009 10 0 EEAELP CC(C)[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC1CC(F)(F)C1 ZINC001410268464 1197649585 /nfs/dbraw/zinc/64/95/85/1197649585.db2.gz MNFHBPARSHCKHW-OAHLLOKOSA-N 2 2 342.434 2.128 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001410401696 1197807367 /nfs/dbraw/zinc/80/73/67/1197807367.db2.gz VSJZYXLPUDXQAI-ZBFHGGJFSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001410401696 1197807373 /nfs/dbraw/zinc/80/73/73/1197807373.db2.gz VSJZYXLPUDXQAI-ZBFHGGJFSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001410438704 1197898094 /nfs/dbraw/zinc/89/80/94/1197898094.db2.gz ARROWOCYCOQHCW-JKSUJKDBSA-N 2 2 343.475 2.483 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151400 1198059680 /nfs/dbraw/zinc/05/96/80/1198059680.db2.gz KMBYDKWUCSVOQK-YRGRVCCFSA-N 2 2 335.414 2.235 10 0 EEAELP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872151400 1198059689 /nfs/dbraw/zinc/05/96/89/1198059689.db2.gz KMBYDKWUCSVOQK-YRGRVCCFSA-N 2 2 335.414 2.235 10 0 EEAELP CC(C)(C)OC(=O)N[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)CC(F)F ZINC000865574465 1198282931 /nfs/dbraw/zinc/28/29/31/1198282931.db2.gz XJHYTPJVFKONQV-GHMZBOCLSA-N 2 2 344.406 2.405 10 0 EEAELP CN1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000810060830 1199219724 /nfs/dbraw/zinc/21/97/24/1199219724.db2.gz ZBRHYWIEGFGRNF-FGTMMUONSA-N 2 2 337.895 2.132 10 0 EEAELP C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000810060830 1199219731 /nfs/dbraw/zinc/21/97/31/1199219731.db2.gz ZBRHYWIEGFGRNF-FGTMMUONSA-N 2 2 337.895 2.132 10 0 EEAELP C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000810060830 1199219735 /nfs/dbraw/zinc/21/97/35/1199219735.db2.gz ZBRHYWIEGFGRNF-FGTMMUONSA-N 2 2 337.895 2.132 10 0 EEAELP C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000866115694 1201437242 /nfs/dbraw/zinc/43/72/42/1201437242.db2.gz VCMZJWKEPNIZKW-XDNAFOTISA-N 2 2 333.520 2.345 10 0 EEAELP C[C@@H](CC(=O)NC/C=C\C[NH2+]Cc1ccncc1Cl)n1cc[nH+]c1 ZINC001274404950 1205024950 /nfs/dbraw/zinc/02/49/50/1205024950.db2.gz RTWXVFNHWKHVJC-SFAKSCPVSA-N 2 2 347.850 2.345 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001274629815 1205105185 /nfs/dbraw/zinc/10/51/85/1205105185.db2.gz BLYGQHWJZNQFFU-NLVOMGJBSA-N 2 2 346.381 2.111 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC001274631591 1205105774 /nfs/dbraw/zinc/10/57/74/1205105774.db2.gz LBNLIWDORKXJPZ-ZRMMWKCHSA-N 2 2 334.370 2.185 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275120900 1205262238 /nfs/dbraw/zinc/26/22/38/1205262238.db2.gz IEFIIXVYOLSDPV-IAGOWNOFSA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001275120900 1205262240 /nfs/dbraw/zinc/26/22/40/1205262240.db2.gz IEFIIXVYOLSDPV-IAGOWNOFSA-N 2 2 330.476 2.335 10 0 EEAELP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC001412027630 1205628503 /nfs/dbraw/zinc/62/85/03/1205628503.db2.gz BUBJJJYSLSEQEB-LJQANCHMSA-N 2 2 347.503 2.460 10 0 EEAELP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC001412027630 1205628505 /nfs/dbraw/zinc/62/85/05/1205628505.db2.gz BUBJJJYSLSEQEB-LJQANCHMSA-N 2 2 347.503 2.460 10 0 EEAELP CN(CCC[NH2+][C@@H]1CCCc2ccccc21)C(=O)Cc1c[nH+]c[nH]1 ZINC001276245394 1205852119 /nfs/dbraw/zinc/85/21/19/1205852119.db2.gz IMOYWLUYXKESCS-GOSISDBHSA-N 2 2 326.444 2.468 10 0 EEAELP CN(CCC[NH2+]Cc1cccc2cccnc21)C(=O)Cc1[nH]cc[nH+]1 ZINC001276297510 1205873183 /nfs/dbraw/zinc/87/31/83/1205873183.db2.gz KSEBXRJUXZRVSP-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP C[C@H]1COC[C@H](C)C1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000924795007 1206032995 /nfs/dbraw/zinc/03/29/95/1206032995.db2.gz IXTMSFVVXYZQIO-IRXDYDNUSA-N 2 2 348.487 2.158 10 0 EEAELP CN1C(=O)C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@H]1c1ccc(Cl)cc1 ZINC000925632627 1206137800 /nfs/dbraw/zinc/13/78/00/1206137800.db2.gz WUNVKUBLMVJXAU-YOAZUHTPSA-N 2 2 345.874 2.198 10 0 EEAELP C(C[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)OC1CCSCC1 ZINC000930319254 1206549040 /nfs/dbraw/zinc/54/90/40/1206549040.db2.gz IZOZLJVITMTLDO-MRXNPFEDSA-N 2 2 328.522 2.085 10 0 EEAELP C(C[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1)OC1CCSCC1 ZINC000930319254 1206549041 /nfs/dbraw/zinc/54/90/41/1206549041.db2.gz IZOZLJVITMTLDO-MRXNPFEDSA-N 2 2 328.522 2.085 10 0 EEAELP C([C@@H]1COC2(CCCCC2)O1)[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001412984518 1216362635 /nfs/dbraw/zinc/36/26/35/1216362635.db2.gz SVPMKDUWDCGDTA-ZWKOTPCHSA-N 2 2 338.492 2.249 10 0 EEAELP C([C@@H]1COC2(CCCCC2)O1)[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001412984518 1216362641 /nfs/dbraw/zinc/36/26/41/1216362641.db2.gz SVPMKDUWDCGDTA-ZWKOTPCHSA-N 2 2 338.492 2.249 10 0 EEAELP COC(=O)/C=C/c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)o1 ZINC000827857231 1248834156 /nfs/dbraw/zinc/83/41/56/1248834156.db2.gz ZBSYTGLTVMCVRL-ROJDOSBLSA-N 2 2 336.432 2.008 10 0 EEAELP COC(=O)/C=C/c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)o1 ZINC000827857231 1248834169 /nfs/dbraw/zinc/83/41/69/1248834169.db2.gz ZBSYTGLTVMCVRL-ROJDOSBLSA-N 2 2 336.432 2.008 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)c2)[nH+]c1C ZINC000900347508 1234247901 /nfs/dbraw/zinc/24/79/01/1234247901.db2.gz VZSRUAPPENQDJB-QAPCUYQASA-N 2 2 328.416 2.087 10 0 EEAELP Cc1[nH]c(-c2cccc(NC(=O)[C@]3(C)C[C@@H](O)C[N@@H+]3C)c2)[nH+]c1C ZINC000900347508 1234247903 /nfs/dbraw/zinc/24/79/03/1234247903.db2.gz VZSRUAPPENQDJB-QAPCUYQASA-N 2 2 328.416 2.087 10 0 EEAELP [NH3+]C1CC[NH+](Cc2cc(-c3ccc(N4CCOCC4)cc3)no2)CC1 ZINC000901388089 1235667080 /nfs/dbraw/zinc/66/70/80/1235667080.db2.gz WJPOCHINBVRPEO-UHFFFAOYSA-N 2 2 342.443 2.101 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001413412417 1236803246 /nfs/dbraw/zinc/80/32/46/1236803246.db2.gz NSPPVFKVENKAHT-GOSISDBHSA-N 2 2 345.487 2.157 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(O)cc3)CC2)C1 ZINC001413412417 1236803256 /nfs/dbraw/zinc/80/32/56/1236803256.db2.gz NSPPVFKVENKAHT-GOSISDBHSA-N 2 2 345.487 2.157 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@@H]1C[NH2+]CCC[C@@H]1CCOC1 ZINC001491258763 1258855942 /nfs/dbraw/zinc/85/59/42/1258855942.db2.gz JMQVGDZJBVTLSP-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)CCc1[nH+]ccn1C ZINC001482939814 1277816945 /nfs/dbraw/zinc/81/69/45/1277816945.db2.gz URJPNTSKOXCJAW-UHFFFAOYSA-N 2 2 332.423 2.130 10 0 EEAELP CCCCCC[C@](O)(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(=O)OC ZINC000851802982 1291844733 /nfs/dbraw/zinc/84/47/33/1291844733.db2.gz MQBBKZHZXNMXEK-SFHVURJKSA-N 2 2 337.464 2.464 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc3c(c2)CCCO3)CC1 ZINC000852783941 1292196766 /nfs/dbraw/zinc/19/67/66/1292196766.db2.gz ZAWOVMBXMNZJLJ-HOTGVXAUSA-N 2 2 345.487 2.215 10 0 EEAELP C/C(=C\C(=O)Nc1ccc(CC[NH+](C)C)cc1)C[NH+]1CCOCC1 ZINC000857841635 1293927467 /nfs/dbraw/zinc/92/74/67/1293927467.db2.gz SINMOHNCJXKPMR-JQIJEIRASA-N 2 2 331.460 2.008 10 0 EEAELP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858319837 1294081441 /nfs/dbraw/zinc/08/14/41/1294081441.db2.gz RYQQWXSZWPDXSE-DOTOQJQBSA-N 2 2 331.460 2.182 10 0 EEAELP CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858319837 1294081443 /nfs/dbraw/zinc/08/14/43/1294081443.db2.gz RYQQWXSZWPDXSE-DOTOQJQBSA-N 2 2 331.460 2.182 10 0 EEAELP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1Br ZINC000862367494 1295810049 /nfs/dbraw/zinc/81/00/49/1295810049.db2.gz KRQLVFLAJIZDAU-UHFFFAOYSA-N 2 2 326.242 2.210 10 0 EEAELP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1Br ZINC000862367494 1295810063 /nfs/dbraw/zinc/81/00/63/1295810063.db2.gz KRQLVFLAJIZDAU-UHFFFAOYSA-N 2 2 326.242 2.210 10 0 EEAELP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000864970561 1296598827 /nfs/dbraw/zinc/59/88/27/1296598827.db2.gz SMTZJKDLINGYFR-QILLFSRXSA-N 2 2 342.443 2.127 10 0 EEAELP CCN(C(=O)[C@H](O)c1c[nH+]c[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000864970561 1296598841 /nfs/dbraw/zinc/59/88/41/1296598841.db2.gz SMTZJKDLINGYFR-QILLFSRXSA-N 2 2 342.443 2.127 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H]2C[C@H]([NH2+]CCOC3CCC3)C2)c(C)[nH+]1 ZINC001490912414 1296785992 /nfs/dbraw/zinc/78/59/92/1296785992.db2.gz QLWWTIGUFJSDBT-WKILWMFISA-N 2 2 331.460 2.426 10 0 EEAELP Cc1csc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)n1 ZINC001277348444 1302561941 /nfs/dbraw/zinc/56/19/41/1302561941.db2.gz AQQFBQSAARSORL-LLVKDONJSA-N 2 2 335.477 2.100 10 0 EEAELP C[NH+]1CCC(ONC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)CC1 ZINC001140618400 1314915179 /nfs/dbraw/zinc/91/51/79/1314915179.db2.gz MUVUXMYWXRHCLX-GASCZTMLSA-N 2 2 332.448 2.194 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001263802365 1322516210 /nfs/dbraw/zinc/51/62/10/1322516210.db2.gz NWXMDCJQUHRXFP-CVEARBPZSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CCCCCF)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001263802365 1322516214 /nfs/dbraw/zinc/51/62/14/1322516214.db2.gz NWXMDCJQUHRXFP-CVEARBPZSA-N 2 2 336.455 2.118 10 0 EEAELP COCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001264471361 1322706894 /nfs/dbraw/zinc/70/68/94/1322706894.db2.gz QMXOCCKZAWADKJ-JKSUJKDBSA-N 2 2 344.459 2.249 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@H+](CCCCCF)CC[C@@H]2C1 ZINC001264648981 1322765819 /nfs/dbraw/zinc/76/58/19/1322765819.db2.gz KUYPZAZYKZSNFC-SJORKVTESA-N 2 2 336.455 2.193 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1C[C@@H]2C[N@@H+](CCCCCF)CC[C@@H]2C1 ZINC001264648981 1322765823 /nfs/dbraw/zinc/76/58/23/1322765823.db2.gz KUYPZAZYKZSNFC-SJORKVTESA-N 2 2 336.455 2.193 10 0 EEAELP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc2cscn2)C1 ZINC001265058549 1322898731 /nfs/dbraw/zinc/89/87/31/1322898731.db2.gz YHMXMTHMAOEXIF-GDBMZVCRSA-N 2 2 338.521 2.202 10 0 EEAELP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[N@H+](C)Cc2cscn2)C1 ZINC001265058549 1322898737 /nfs/dbraw/zinc/89/87/37/1322898737.db2.gz YHMXMTHMAOEXIF-GDBMZVCRSA-N 2 2 338.521 2.202 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]CCOC2CCCCCC2)C1 ZINC001265440321 1323155979 /nfs/dbraw/zinc/15/59/79/1323155979.db2.gz MTNVPJGDDVBBAH-KRWDZBQOSA-N 2 2 348.491 2.203 10 0 EEAELP COCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001265587208 1323243717 /nfs/dbraw/zinc/24/37/17/1323243717.db2.gz XVMAXGXVFKDNQJ-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP COCCCC[N@H+]1CCC[C@@H](CNC(=O)c2cccc3[nH+]ccn32)C1 ZINC001265587208 1323243720 /nfs/dbraw/zinc/24/37/20/1323243720.db2.gz XVMAXGXVFKDNQJ-INIZCTEOSA-N 2 2 344.459 2.203 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)[NH2+]Cc3cncc(F)c3)ccn12 ZINC001265774816 1323375048 /nfs/dbraw/zinc/37/50/48/1323375048.db2.gz JPKJRAORQNZMJC-LBPRGKRZSA-N 2 2 341.390 2.085 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001265989748 1323548375 /nfs/dbraw/zinc/54/83/75/1323548375.db2.gz HSBKCUQWYDEWNQ-HZPDHXFCSA-N 2 2 332.492 2.320 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001266015635 1323567217 /nfs/dbraw/zinc/56/72/17/1323567217.db2.gz IBOKZAXYZXCUSZ-BZUAXINKSA-N 2 2 332.492 2.398 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)c1 ZINC001282205004 1325651008 /nfs/dbraw/zinc/65/10/08/1325651008.db2.gz BNGCRMOOBHVPAM-HZPDHXFCSA-N 2 2 328.460 2.376 10 0 EEAELP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001282861302 1325810646 /nfs/dbraw/zinc/81/06/46/1325810646.db2.gz MIIMYZDDZMMGOH-OSYLJGHBSA-N 2 2 331.460 2.117 10 0 EEAELP CCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH+]ccc3OC)[C@@H]2C1 ZINC001282861302 1325810650 /nfs/dbraw/zinc/81/06/50/1325810650.db2.gz MIIMYZDDZMMGOH-OSYLJGHBSA-N 2 2 331.460 2.117 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001284603765 1326626964 /nfs/dbraw/zinc/62/69/64/1326626964.db2.gz JQGYJBOEFYEDIK-RDJZCZTQSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CCc1ccccc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001284630229 1326638910 /nfs/dbraw/zinc/63/89/10/1326638910.db2.gz IBPOXBJYLWBMMT-QGZVFWFLSA-N 2 2 346.450 2.455 10 0 EEAELP Cc1ccc(F)cc1C[N@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001284967016 1326799747 /nfs/dbraw/zinc/79/97/47/1326799747.db2.gz BABXQCQMGIHKNV-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP Cc1ccc(F)cc1C[N@@H+]1CC=C(CNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001284967016 1326799750 /nfs/dbraw/zinc/79/97/50/1326799750.db2.gz BABXQCQMGIHKNV-UHFFFAOYSA-N 2 2 342.418 2.348 10 0 EEAELP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]CCc1ccccc1F ZINC001491594837 1330177966 /nfs/dbraw/zinc/17/79/66/1330177966.db2.gz KDZLCBSLGZMIRK-GJZGRUSLSA-N 2 2 332.423 2.310 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001491607608 1330202317 /nfs/dbraw/zinc/20/23/17/1330202317.db2.gz XXZWIYVBJOXPCN-CABCVRRESA-N 2 2 340.471 2.372 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001491607608 1330202320 /nfs/dbraw/zinc/20/23/20/1330202320.db2.gz XXZWIYVBJOXPCN-CABCVRRESA-N 2 2 340.471 2.372 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001491814690 1330261843 /nfs/dbraw/zinc/26/18/43/1330261843.db2.gz RMMVBZXTSFONBH-OAZXXZECSA-N 2 2 330.476 2.240 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001491848002 1330272923 /nfs/dbraw/zinc/27/29/23/1330272923.db2.gz OUYSDSAJSLOZOK-KRWDZBQOSA-N 2 2 332.492 2.371 10 0 EEAELP COCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001491873766 1330283303 /nfs/dbraw/zinc/28/33/03/1330283303.db2.gz FXEOKLMSIBJYAG-IAGOWNOFSA-N 2 2 344.459 2.310 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CC1CC(F)(F)C1 ZINC001492037708 1330461293 /nfs/dbraw/zinc/46/12/93/1330461293.db2.gz YQWCJWYTHYHGSX-RAIGVLPGSA-N 2 2 326.391 2.043 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CC1CC(F)(F)C1 ZINC001492037708 1330461296 /nfs/dbraw/zinc/46/12/96/1330461296.db2.gz YQWCJWYTHYHGSX-RAIGVLPGSA-N 2 2 326.391 2.043 10 0 EEAELP Cc1ncc(C[N@H+](C)CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001316870108 1331940830 /nfs/dbraw/zinc/94/08/30/1331940830.db2.gz MMMLSAYRTMGNTH-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001316870108 1331940833 /nfs/dbraw/zinc/94/08/33/1331940833.db2.gz MMMLSAYRTMGNTH-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1cc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2C)C2CC2)sn1 ZINC001316927102 1331994819 /nfs/dbraw/zinc/99/48/19/1331994819.db2.gz KKAISUMIXQMXOJ-UHFFFAOYSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1cc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2C)C2CC2)sn1 ZINC001316927102 1331994820 /nfs/dbraw/zinc/99/48/20/1331994820.db2.gz KKAISUMIXQMXOJ-UHFFFAOYSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@H]([NH2+]CCOCC(C)C)C3)ccn12 ZINC001317058262 1332064645 /nfs/dbraw/zinc/06/46/45/1332064645.db2.gz WVOZUHHVYGQRFG-KRWDZBQOSA-N 2 2 344.459 2.119 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317159268 1332104922 /nfs/dbraw/zinc/10/49/22/1332104922.db2.gz CSEZQXSIUIHSCB-IRXDYDNUSA-N 2 2 336.480 2.087 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CCCC[C@H]1C[NH2+]CCCF ZINC001317186263 1332120925 /nfs/dbraw/zinc/12/09/25/1332120925.db2.gz LGNJSQAXZIRUAH-INIZCTEOSA-N 2 2 336.455 2.092 10 0 EEAELP COCCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001317354061 1332191388 /nfs/dbraw/zinc/19/13/88/1332191388.db2.gz BUUBAJABXPZWFK-HOTGVXAUSA-N 2 2 344.459 2.392 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)c1 ZINC001320467539 1332891181 /nfs/dbraw/zinc/89/11/81/1332891181.db2.gz BYYOMUKWXIQJOD-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)s1 ZINC001320493071 1332897121 /nfs/dbraw/zinc/89/71/21/1332897121.db2.gz XTBAZFZYACLEFP-GFCCVEGCSA-N 2 2 343.456 2.397 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1C ZINC001320624331 1332923468 /nfs/dbraw/zinc/92/34/68/1332923468.db2.gz YABUIDNUYKHQDW-ZDUSSCGKSA-N 2 2 332.423 2.393 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2 ZINC001321137797 1333028011 /nfs/dbraw/zinc/02/80/11/1333028011.db2.gz UUXFSOQLHYCRDS-ONEGZZNKSA-N 2 2 346.475 2.188 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1ccc(Cl)cc1F ZINC001321433875 1333104335 /nfs/dbraw/zinc/10/43/35/1333104335.db2.gz XSJCUFLNTDNYII-OWOJBTEDSA-N 2 2 336.798 2.138 10 0 EEAELP COCCCC[NH+]1CCC(C)(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001324324268 1333658435 /nfs/dbraw/zinc/65/84/35/1333658435.db2.gz WVZUXBKVXZXFJE-UHFFFAOYSA-N 2 2 344.459 2.345 10 0 EEAELP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(F)(F)C(F)F)C1)[NH+](C)C ZINC001324818168 1333766406 /nfs/dbraw/zinc/76/64/06/1333766406.db2.gz SFIWDPPYEBITFJ-SMDDNHRTSA-N 2 2 341.393 2.055 10 0 EEAELP CCCCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001325056159 1333820355 /nfs/dbraw/zinc/82/03/55/1333820355.db2.gz YEIJSVZENVFUAS-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP CCCCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001325056159 1333820356 /nfs/dbraw/zinc/82/03/56/1333820356.db2.gz YEIJSVZENVFUAS-CQSZACIVSA-N 2 2 342.434 2.226 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@H]2CCN(C(=O)CCc3c[nH]c[nH+]3)C2)s1 ZINC001326289474 1334060404 /nfs/dbraw/zinc/06/04/04/1334060404.db2.gz QPOVTBCXCRLIML-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP Cc1ncsc1C[NH2+]CC[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001326324946 1334068753 /nfs/dbraw/zinc/06/87/53/1334068753.db2.gz GGUVDONWZSZMLE-OAHLLOKOSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001326417324 1334089472 /nfs/dbraw/zinc/08/94/72/1334089472.db2.gz CBFSFHKNGLKRHE-IRXDYDNUSA-N 2 2 348.491 2.048 10 0 EEAELP C[C@H](O)CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001328631805 1334491567 /nfs/dbraw/zinc/49/15/67/1334491567.db2.gz FICIVYWCLPKLAA-HOCLYGCPSA-N 2 2 344.459 2.308 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001329358179 1334633857 /nfs/dbraw/zinc/63/38/57/1334633857.db2.gz JFWQZGOTZWHKAY-UHFFFAOYSA-N 2 2 328.460 2.200 10 0 EEAELP C[C@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001330085847 1334776762 /nfs/dbraw/zinc/77/67/62/1334776762.db2.gz NDOFQXQABKCHFE-AWEZNQCLSA-N 2 2 337.427 2.001 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@H+](CC2CCOCC2)CC1)n1cc[nH+]c1 ZINC001333417984 1336040982 /nfs/dbraw/zinc/04/09/82/1336040982.db2.gz UIJJAVKCBAFCKN-INIZCTEOSA-N 2 2 346.475 2.009 10 0 EEAELP C[C@@H](CC(=O)NCC1=CC[N@@H+](CC2CCOCC2)CC1)n1cc[nH+]c1 ZINC001333417984 1336040984 /nfs/dbraw/zinc/04/09/84/1336040984.db2.gz UIJJAVKCBAFCKN-INIZCTEOSA-N 2 2 346.475 2.009 10 0 EEAELP COC(=O)/C=C\c1ccc(OCC[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC001616892108 1352333618 /nfs/dbraw/zinc/33/36/18/1352333618.db2.gz MKZAJWINIWVROT-TWGQIWQCSA-N 2 2 343.427 2.470 10 0 EEAELP COC(=O)/C=C\c1ccc(OCC[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC001616892108 1352333621 /nfs/dbraw/zinc/33/36/21/1352333621.db2.gz MKZAJWINIWVROT-TWGQIWQCSA-N 2 2 343.427 2.470 10 0 EEAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]Cc1ccc(F)cc1 ZINC001434844897 1341961733 /nfs/dbraw/zinc/96/17/33/1341961733.db2.gz XLDZQBGKPHOTEQ-WBVHZDCISA-N 2 2 344.434 2.297 10 0 EEAELP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001436365240 1342054237 /nfs/dbraw/zinc/05/42/37/1342054237.db2.gz FINMCCCSBIVQOX-HDICACEKSA-N 2 2 326.444 2.185 10 0 EEAELP C[C@@H](NC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1C[NH+](CCCCCF)C1 ZINC001506629840 1342293376 /nfs/dbraw/zinc/29/33/76/1342293376.db2.gz BVZNWXVCCLMSIK-HUUCEWRRSA-N 2 2 336.455 2.022 10 0 EEAELP CC/C=C/CC[NH2+][C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001566715374 1342612388 /nfs/dbraw/zinc/61/23/88/1342612388.db2.gz WPBRACGVRYKQGK-NDIJEHHESA-N 2 2 330.476 2.286 10 0 EEAELP Cc1cnc(C[N@@H+]2CCC[C@H]2CNC(=O)CCCC[NH+]2CCCC2)o1 ZINC001567387085 1342750434 /nfs/dbraw/zinc/75/04/34/1342750434.db2.gz SXRINHIGYSGOGE-KRWDZBQOSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1cnc(C[N@H+]2CCC[C@H]2CNC(=O)CCCC[NH+]2CCCC2)o1 ZINC001567387085 1342750436 /nfs/dbraw/zinc/75/04/36/1342750436.db2.gz SXRINHIGYSGOGE-KRWDZBQOSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1cccnc1C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001567650382 1342802336 /nfs/dbraw/zinc/80/23/36/1342802336.db2.gz DOHMFWJKHJHILF-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP Cc1cccnc1C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C(C)C ZINC001567650382 1342802343 /nfs/dbraw/zinc/80/23/43/1342802343.db2.gz DOHMFWJKHJHILF-UHFFFAOYSA-N 2 2 329.448 2.073 10 0 EEAELP CC(C)=CC[N@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001571687952 1343272979 /nfs/dbraw/zinc/27/29/79/1343272979.db2.gz WDWWVSPLAZJWGN-UHFFFAOYSA-N 2 2 342.487 2.476 10 0 EEAELP CC(C)=CC[N@@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001571687952 1343272980 /nfs/dbraw/zinc/27/29/80/1343272980.db2.gz WDWWVSPLAZJWGN-UHFFFAOYSA-N 2 2 342.487 2.476 10 0 EEAELP CCOCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001676347803 1357138273 /nfs/dbraw/zinc/13/82/73/1357138273.db2.gz YFNSOWYIDCYTGU-AWEZNQCLSA-N 2 2 332.448 2.119 10 0 EEAELP CCOCC[NH2+]C1CC(N(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001677414385 1357329543 /nfs/dbraw/zinc/32/95/43/1357329543.db2.gz AMFRGGKJOAQWHO-UHFFFAOYSA-N 2 2 342.443 2.101 10 0 EEAELP CCNc1cc(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc[nH+]1 ZINC001646951958 1353069021 /nfs/dbraw/zinc/06/90/21/1353069021.db2.gz ZIHMFVBVNRGTOT-ZBFHGGJFSA-N 2 2 333.480 2.385 10 0 EEAELP CCNc1cc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc[nH+]1 ZINC001646951958 1353069027 /nfs/dbraw/zinc/06/90/27/1353069027.db2.gz ZIHMFVBVNRGTOT-ZBFHGGJFSA-N 2 2 333.480 2.385 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)[C@H](C[NH2+]CC[C@H]2CCCCO2)C1 ZINC001656575851 1354249562 /nfs/dbraw/zinc/24/95/62/1354249562.db2.gz JIDZEVAPNRZRDW-BPQIPLTHSA-N 2 2 348.491 2.128 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc(C)c(F)c1 ZINC001660594488 1354495691 /nfs/dbraw/zinc/49/56/91/1354495691.db2.gz HMVYJBNAYWRPKY-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1ccc(C)c(F)c1 ZINC001660594488 1354495695 /nfs/dbraw/zinc/49/56/95/1354495695.db2.gz HMVYJBNAYWRPKY-UHFFFAOYSA-N 2 2 332.423 2.428 10 0 EEAELP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001661793989 1354698436 /nfs/dbraw/zinc/69/84/36/1354698436.db2.gz UTROSDYGBDBPGG-SJORKVTESA-N 2 2 332.492 2.464 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCOCC1 ZINC001661963877 1354729420 /nfs/dbraw/zinc/72/94/20/1354729420.db2.gz MQAALWOLOLNWHW-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001664241883 1355120685 /nfs/dbraw/zinc/12/06/85/1355120685.db2.gz XQDAEAGSFSDYLK-MRXNPFEDSA-N 2 2 328.460 2.187 10 0 EEAELP Cc1ccc(CC[NH2+]CCN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001664241883 1355120690 /nfs/dbraw/zinc/12/06/90/1355120690.db2.gz XQDAEAGSFSDYLK-MRXNPFEDSA-N 2 2 328.460 2.187 10 0 EEAELP CN(CC[NH2+]C/C=C/c1ccc(Cl)cc1)C(=O)Cc1c[nH+]cn1C ZINC001664309414 1355136521 /nfs/dbraw/zinc/13/65/21/1355136521.db2.gz PKNUUJIMPRZMDG-ONEGZZNKSA-N 2 2 346.862 2.377 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001665059467 1355269288 /nfs/dbraw/zinc/26/92/88/1355269288.db2.gz WJUYQVASJYLQFH-RYTMFUSVSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001665059467 1355269294 /nfs/dbraw/zinc/26/92/94/1355269294.db2.gz WJUYQVASJYLQFH-RYTMFUSVSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](CC(=O)NC1(C[NH2+]CC[C@H]2CCCO2)CCCC1)n1cc[nH+]c1 ZINC001665951629 1355414538 /nfs/dbraw/zinc/41/45/38/1355414538.db2.gz JZEJUZNUCROJSD-IAGOWNOFSA-N 2 2 348.491 2.422 10 0 EEAELP C[C@@H](CC(=O)NC1(C[NH2+]CC[C@H]2CCCO2)CCCC1)n1cc[nH+]c1 ZINC001665951627 1355414573 /nfs/dbraw/zinc/41/45/73/1355414573.db2.gz JZEJUZNUCROJSD-DLBZAZTESA-N 2 2 348.491 2.422 10 0 EEAELP C[C@@](C[NH2+]Cc1ccnc(Cl)c1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001666044248 1355431164 /nfs/dbraw/zinc/43/11/64/1355431164.db2.gz QZQRECNZOWUEET-KRWDZBQOSA-N 2 2 347.850 2.006 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CCc1cccs1 ZINC001666573432 1355547333 /nfs/dbraw/zinc/54/73/33/1355547333.db2.gz MLCLRBZZXDZNPZ-GJZGRUSLSA-N 2 2 346.500 2.092 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CCC1CCCC1 ZINC001666619710 1355554706 /nfs/dbraw/zinc/55/47/06/1355554706.db2.gz JBYVQWVXIKTDEM-USXIJHARSA-N 2 2 332.492 2.446 10 0 EEAELP CC1CC(C[NH2+]CC=CCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001668834061 1356016685 /nfs/dbraw/zinc/01/66/85/1356016685.db2.gz PVGZIKHUIHINJL-KOXCJANZSA-N 2 2 345.491 2.098 10 0 EEAELP CC1CC(C[NH2+]CC=CCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001668834061 1356016690 /nfs/dbraw/zinc/01/66/90/1356016690.db2.gz PVGZIKHUIHINJL-KOXCJANZSA-N 2 2 345.491 2.098 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)oc1C ZINC001669086822 1356089995 /nfs/dbraw/zinc/08/99/95/1356089995.db2.gz OYCZCFRQIXOVGQ-QCDWVSHVSA-N 2 2 346.475 2.070 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)oc1C ZINC001669086822 1356090000 /nfs/dbraw/zinc/09/00/00/1356090000.db2.gz OYCZCFRQIXOVGQ-QCDWVSHVSA-N 2 2 346.475 2.070 10 0 EEAELP COCCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001672299243 1356496951 /nfs/dbraw/zinc/49/69/51/1356496951.db2.gz DWJKZQDAZCYGSZ-PBHICJAKSA-N 2 2 333.476 2.341 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001672425529 1356521340 /nfs/dbraw/zinc/52/13/40/1356521340.db2.gz XLJKZJSVNVFECS-NSVNRUQGSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001672425529 1356521342 /nfs/dbraw/zinc/52/13/42/1356521342.db2.gz XLJKZJSVNVFECS-NSVNRUQGSA-N 2 2 342.487 2.192 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001672514619 1356540846 /nfs/dbraw/zinc/54/08/46/1356540846.db2.gz FPFXRHDHRGUXCS-QLLBUPAMSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+](C)CCO1 ZINC001672514619 1356540850 /nfs/dbraw/zinc/54/08/50/1356540850.db2.gz FPFXRHDHRGUXCS-QLLBUPAMSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001672514619 1356540855 /nfs/dbraw/zinc/54/08/55/1356540855.db2.gz FPFXRHDHRGUXCS-QLLBUPAMSA-N 2 2 349.519 2.129 10 0 EEAELP CCC/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001672514619 1356540859 /nfs/dbraw/zinc/54/08/59/1356540859.db2.gz FPFXRHDHRGUXCS-QLLBUPAMSA-N 2 2 349.519 2.129 10 0 EEAELP C[C@H](O)CCC[NH2+]CC[C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001672814683 1356590198 /nfs/dbraw/zinc/59/01/98/1356590198.db2.gz BKLGOUHIJNNMRG-LSDHHAIUSA-N 2 2 344.459 2.166 10 0 EEAELP CCc1ccccc1CC[NH2+]CC1CC(NC(=O)Cc2[nH]cc[nH+]2)C1 ZINC001674592207 1356861505 /nfs/dbraw/zinc/86/15/05/1356861505.db2.gz HXMCNJYINMOYFG-UHFFFAOYSA-N 2 2 340.471 2.242 10 0 EEAELP Cc1nc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001698849951 1405108195 /nfs/dbraw/zinc/10/81/95/1405108195.db2.gz ZWBZYDHMYYAFLH-STQMWFEESA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cs1 ZINC001698849951 1405108199 /nfs/dbraw/zinc/10/81/99/1405108199.db2.gz ZWBZYDHMYYAFLH-STQMWFEESA-N 2 2 349.504 2.032 10 0 EEAELP CCC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001698867482 1405120507 /nfs/dbraw/zinc/12/05/07/1405120507.db2.gz KZOVIPVQNLSULV-WMLDXEAASA-N 2 2 335.496 2.321 10 0 EEAELP CCC[NH2+]C[C@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001698867482 1405120511 /nfs/dbraw/zinc/12/05/11/1405120511.db2.gz KZOVIPVQNLSULV-WMLDXEAASA-N 2 2 335.496 2.321 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH]c[nH+]1 ZINC001699105162 1405259683 /nfs/dbraw/zinc/25/96/83/1405259683.db2.gz DCPWSESGEGKBLL-CQSZACIVSA-N 2 2 332.423 2.474 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001699105162 1405259688 /nfs/dbraw/zinc/25/96/88/1405259688.db2.gz DCPWSESGEGKBLL-CQSZACIVSA-N 2 2 332.423 2.474 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H](C)NC(=O)c2cccc3[nH+]ccn32)s1 ZINC001699121567 1405277616 /nfs/dbraw/zinc/27/76/16/1405277616.db2.gz SNPRKNLKHXOPJN-GFCCVEGCSA-N 2 2 343.456 2.397 10 0 EEAELP Cc1cncc(C[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)c1 ZINC001699139340 1405289188 /nfs/dbraw/zinc/28/91/88/1405289188.db2.gz QJWVQEGUNYVHAQ-CVEARBPZSA-N 2 2 329.448 2.222 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001699517254 1405369031 /nfs/dbraw/zinc/36/90/31/1405369031.db2.gz MPXYESDZJRPQOE-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC001699590113 1405410194 /nfs/dbraw/zinc/41/01/94/1405410194.db2.gz ZOMYOMPNKMEZMI-AAEUAGOBSA-N 2 2 345.274 2.021 10 0 EEAELP FCCn1cc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)cn1 ZINC000921513406 788737485 /nfs/dbraw/zinc/73/74/85/788737485.db2.gz CLKMZHZKUSDEAU-UHFFFAOYSA-N 2 2 345.466 2.155 10 0 EEAELP COC(=O)c1ccc(N2CC[N@H+](CCC[NH2+]C3CC3)[C@H](C)C2)cc1 ZINC000923370607 789447804 /nfs/dbraw/zinc/44/78/04/789447804.db2.gz WMDGHBMUVVYMHU-OAHLLOKOSA-N 2 2 331.460 2.126 10 0 EEAELP COC(=O)c1ccc(N2CC[N@@H+](CCC[NH2+]C3CC3)[C@H](C)C2)cc1 ZINC000923370607 789447812 /nfs/dbraw/zinc/44/78/12/789447812.db2.gz WMDGHBMUVVYMHU-OAHLLOKOSA-N 2 2 331.460 2.126 10 0 EEAELP c1cn(C2CC2)c(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000711784721 789616277 /nfs/dbraw/zinc/61/62/77/789616277.db2.gz VCHDDKNEUSSDAC-UHFFFAOYSA-N 2 2 339.487 2.125 10 0 EEAELP Cc1cnc(Cl)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000921603357 789825864 /nfs/dbraw/zinc/82/58/64/789825864.db2.gz FPWWKLSCBXLGKD-UHFFFAOYSA-N 2 2 345.878 2.480 10 0 EEAELP CS(=O)(=O)C1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000716093331 795602379 /nfs/dbraw/zinc/60/23/79/795602379.db2.gz WEBWGDUFHVBESR-DYKAAJRGSA-N 2 2 348.512 2.062 10 0 EEAELP CS(=O)(=O)C1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000716093331 795602382 /nfs/dbraw/zinc/60/23/82/795602382.db2.gz WEBWGDUFHVBESR-DYKAAJRGSA-N 2 2 348.512 2.062 10 0 EEAELP COC(OC)[C@H](C)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000922315009 800489045 /nfs/dbraw/zinc/48/90/45/800489045.db2.gz LMKCHMZRMUOKOM-ZDUSSCGKSA-N 2 2 341.883 2.189 10 0 EEAELP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)[C@@H]1C)n1cc[nH+]c1 ZINC001436485698 1087978551 /nfs/dbraw/zinc/97/85/51/1087978551.db2.gz ZJKIAWPICHTVGK-INMHGKMJSA-N 2 2 327.432 2.008 10 0 EEAELP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)[C@@H]1C)n1cc[nH+]c1 ZINC001436485698 1087978563 /nfs/dbraw/zinc/97/85/63/1087978563.db2.gz ZJKIAWPICHTVGK-INMHGKMJSA-N 2 2 327.432 2.008 10 0 EEAELP CC[C@H](F)C[NH2+][C@@H]1CCCCCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001436511879 1088050831 /nfs/dbraw/zinc/05/08/31/1088050831.db2.gz NRFPTNFUERNPOS-JKSUJKDBSA-N 2 2 338.471 2.462 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC001437032245 1088857431 /nfs/dbraw/zinc/85/74/31/1088857431.db2.gz NEKCDFVVWMWVAZ-CYBMUJFWSA-N 2 2 345.274 2.481 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC001437032245 1088857453 /nfs/dbraw/zinc/85/74/53/1088857453.db2.gz NEKCDFVVWMWVAZ-CYBMUJFWSA-N 2 2 345.274 2.481 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)Cc1ccsc1 ZINC001437605429 1090114740 /nfs/dbraw/zinc/11/47/40/1090114740.db2.gz BTTAVPWLOULTNB-OAHLLOKOSA-N 2 2 332.473 2.145 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)Cc1ccsc1 ZINC001437605429 1090114743 /nfs/dbraw/zinc/11/47/43/1090114743.db2.gz BTTAVPWLOULTNB-OAHLLOKOSA-N 2 2 332.473 2.145 10 0 EEAELP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1c(F)cccc1F ZINC001437684129 1090222258 /nfs/dbraw/zinc/22/22/58/1090222258.db2.gz FKLSOKINUFIARW-AWEZNQCLSA-N 2 2 339.430 2.387 10 0 EEAELP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1c(F)cccc1F ZINC001437684129 1090222263 /nfs/dbraw/zinc/22/22/63/1090222263.db2.gz FKLSOKINUFIARW-AWEZNQCLSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC001437684129 1090222267 /nfs/dbraw/zinc/22/22/67/1090222267.db2.gz FKLSOKINUFIARW-AWEZNQCLSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC001437684129 1090222269 /nfs/dbraw/zinc/22/22/69/1090222269.db2.gz FKLSOKINUFIARW-AWEZNQCLSA-N 2 2 339.430 2.387 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001438313078 1090792148 /nfs/dbraw/zinc/79/21/48/1090792148.db2.gz XVCRPKGFOVCCTO-BZUAXINKSA-N 2 2 330.407 2.337 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001438313078 1090792152 /nfs/dbraw/zinc/79/21/52/1090792152.db2.gz XVCRPKGFOVCCTO-BZUAXINKSA-N 2 2 330.407 2.337 10 0 EEAELP CC(C)CCC[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001438574321 1091062098 /nfs/dbraw/zinc/06/20/98/1091062098.db2.gz GJVDKVIPECVOSB-IAGOWNOFSA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)CCC[N@H+]1CCO[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001438574321 1091062104 /nfs/dbraw/zinc/06/21/04/1091062104.db2.gz GJVDKVIPECVOSB-IAGOWNOFSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001445402152 1091149717 /nfs/dbraw/zinc/14/97/17/1091149717.db2.gz ZUTKWXSNDXLBFT-WBVHZDCISA-N 2 2 326.444 2.048 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)co1 ZINC001438709826 1091224859 /nfs/dbraw/zinc/22/48/59/1091224859.db2.gz BXSSRRHPEBHXOL-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001438890657 1091536187 /nfs/dbraw/zinc/53/61/87/1091536187.db2.gz RDTSXTRAIAKBGF-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001438890657 1091536190 /nfs/dbraw/zinc/53/61/90/1091536190.db2.gz RDTSXTRAIAKBGF-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001438890657 1091536198 /nfs/dbraw/zinc/53/61/98/1091536198.db2.gz RDTSXTRAIAKBGF-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP CN(CC[NH+](C)Cc1cncs1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001438890657 1091536199 /nfs/dbraw/zinc/53/61/99/1091536199.db2.gz RDTSXTRAIAKBGF-HOCLYGCPSA-N 2 2 336.505 2.050 10 0 EEAELP C[C@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001439126301 1091769987 /nfs/dbraw/zinc/76/99/87/1091769987.db2.gz GMONOXMQUQWQRF-CHWSQXEVSA-N 2 2 348.397 2.018 10 0 EEAELP O=C(N[C@@H](C[NH2+]Cc1ccsc1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445956383 1091901937 /nfs/dbraw/zinc/90/19/37/1091901937.db2.gz MEQCKTJGGFYRCN-CVEARBPZSA-N 2 2 344.484 2.192 10 0 EEAELP C[C@H](C[N@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439337127 1092035394 /nfs/dbraw/zinc/03/53/94/1092035394.db2.gz TVOMOYTYHRCULA-OLZOCXBDSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439337127 1092035405 /nfs/dbraw/zinc/03/54/05/1092035405.db2.gz TVOMOYTYHRCULA-OLZOCXBDSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H](C[N@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439337127 1092035415 /nfs/dbraw/zinc/03/54/15/1092035415.db2.gz TVOMOYTYHRCULA-OLZOCXBDSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439337127 1092035426 /nfs/dbraw/zinc/03/54/26/1092035426.db2.gz TVOMOYTYHRCULA-OLZOCXBDSA-N 2 2 328.407 2.214 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H](C[NH2+]Cc1ccccc1C1CC1)C1CC1 ZINC001439502359 1092340977 /nfs/dbraw/zinc/34/09/77/1092340977.db2.gz XLEYGMXSGAQSKT-LJQANCHMSA-N 2 2 338.455 2.445 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276853 1092427412 /nfs/dbraw/zinc/42/74/12/1092427412.db2.gz NBTTUUWNQDYJCO-KBPBESRZSA-N 2 2 348.491 2.223 10 0 EEAELP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276853 1092427414 /nfs/dbraw/zinc/42/74/14/1092427414.db2.gz NBTTUUWNQDYJCO-KBPBESRZSA-N 2 2 348.491 2.223 10 0 EEAELP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001439577256 1092470285 /nfs/dbraw/zinc/47/02/85/1092470285.db2.gz CJAUGAGEFLQYLQ-SJORKVTESA-N 2 2 326.444 2.452 10 0 EEAELP Cc1ccc(C)c([C@@H](C)[N@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2)c1 ZINC001439577256 1092470293 /nfs/dbraw/zinc/47/02/93/1092470293.db2.gz CJAUGAGEFLQYLQ-SJORKVTESA-N 2 2 326.444 2.452 10 0 EEAELP CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001439976319 1093095980 /nfs/dbraw/zinc/09/59/80/1093095980.db2.gz SJDVPGLDBDPIRH-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001439976319 1093095987 /nfs/dbraw/zinc/09/59/87/1093095987.db2.gz SJDVPGLDBDPIRH-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001439976319 1093095990 /nfs/dbraw/zinc/09/59/90/1093095990.db2.gz SJDVPGLDBDPIRH-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001439976319 1093095996 /nfs/dbraw/zinc/09/59/96/1093095996.db2.gz SJDVPGLDBDPIRH-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP CC(C)[C@@H](CCNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CCC1 ZINC001448557440 1093602639 /nfs/dbraw/zinc/60/26/39/1093602639.db2.gz GRMGCYIGBZCHLR-FUHWJXTLSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)c1cnc(C[N@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)o1 ZINC001440486317 1093720681 /nfs/dbraw/zinc/72/06/81/1093720681.db2.gz WUJKGJJXDSOLSF-UHFFFAOYSA-N 2 2 336.480 2.174 10 0 EEAELP CC(C)c1cnc(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)o1 ZINC001440486317 1093720685 /nfs/dbraw/zinc/72/06/85/1093720685.db2.gz WUJKGJJXDSOLSF-UHFFFAOYSA-N 2 2 336.480 2.174 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn2cc[nH+]c2)s1 ZINC001440854547 1094113567 /nfs/dbraw/zinc/11/35/67/1094113567.db2.gz QXBHBFKHYPRHAO-UONOGXRCSA-N 2 2 335.477 2.111 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@H](O)C[N@@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001449216575 1094172600 /nfs/dbraw/zinc/17/26/00/1094172600.db2.gz QRWNQQYIFDQAAT-ZTUNLMCQSA-N 2 2 347.503 2.418 10 0 EEAELP Cc1cc(C)c(C(=O)N(C)C[C@H](O)C[N@H+](C)CC2CC(C)C2)c(C)[nH+]1 ZINC001449216575 1094172603 /nfs/dbraw/zinc/17/26/03/1094172603.db2.gz QRWNQQYIFDQAAT-ZTUNLMCQSA-N 2 2 347.503 2.418 10 0 EEAELP CC(C)N(CC[N@@H+](C)C[C@@H](C)O)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001449257557 1094206188 /nfs/dbraw/zinc/20/61/88/1094206188.db2.gz XOVZUUYMUMWWLM-MRXNPFEDSA-N 2 2 344.459 2.036 10 0 EEAELP CC(C)N(CC[N@H+](C)C[C@@H](C)O)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001449257557 1094206193 /nfs/dbraw/zinc/20/61/93/1094206193.db2.gz XOVZUUYMUMWWLM-MRXNPFEDSA-N 2 2 344.459 2.036 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001441035488 1094327923 /nfs/dbraw/zinc/32/79/23/1094327923.db2.gz TWLRXTVPJPOBLL-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001441035488 1094327927 /nfs/dbraw/zinc/32/79/27/1094327927.db2.gz TWLRXTVPJPOBLL-INIZCTEOSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1ncoc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001441040406 1094334564 /nfs/dbraw/zinc/33/45/64/1094334564.db2.gz VLSQKMJEEWAYMC-PBHICJAKSA-N 2 2 336.480 2.040 10 0 EEAELP Cc1ncoc1C[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001441040406 1094334568 /nfs/dbraw/zinc/33/45/68/1094334568.db2.gz VLSQKMJEEWAYMC-PBHICJAKSA-N 2 2 336.480 2.040 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@H](CNC(=O)Cc2[nH]cc[nH+]2)C2CC2)c1 ZINC001441258757 1094658974 /nfs/dbraw/zinc/65/89/74/1094658974.db2.gz WDSYOZLCQUDGEJ-SUMWQHHRSA-N 2 2 342.443 2.206 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@@H+](CC3CCCCCC3)C[C@H]21 ZINC001441272877 1094687028 /nfs/dbraw/zinc/68/70/28/1094687028.db2.gz DVUCZPDWIARZJH-NNZMDNLPSA-N 2 2 330.476 2.217 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@@H]1[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]21 ZINC001441272877 1094687034 /nfs/dbraw/zinc/68/70/34/1094687034.db2.gz DVUCZPDWIARZJH-NNZMDNLPSA-N 2 2 330.476 2.217 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001441455807 1095105066 /nfs/dbraw/zinc/10/50/66/1095105066.db2.gz JNPGRFWNMPENKR-SUMWQHHRSA-N 2 2 345.447 2.157 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001441593270 1095428152 /nfs/dbraw/zinc/42/81/52/1095428152.db2.gz MWBVQOZAFYOXMW-CABCVRRESA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001441593270 1095428161 /nfs/dbraw/zinc/42/81/61/1095428161.db2.gz MWBVQOZAFYOXMW-CABCVRRESA-N 2 2 344.459 2.234 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(CF)cc1 ZINC001441861652 1095960423 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LMNTWPQREAHETG-AEFFLSMTSA-N 2 2 340.471 2.173 10 0 EEAELP CC(C)[C@H](C(=O)NCC[N@H+](C)Cc1cncs1)[NH+]1CCCCC1 ZINC001442623240 1096991801 /nfs/dbraw/zinc/99/18/01/1096991801.db2.gz XFFJVEUWXBTAMY-MRXNPFEDSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)[C@H](C(=O)NCC[N@@H+](C)Cc1cncs1)[NH+]1CCCCC1 ZINC001442623240 1096991804 /nfs/dbraw/zinc/99/18/04/1096991804.db2.gz XFFJVEUWXBTAMY-MRXNPFEDSA-N 2 2 338.521 2.202 10 0 EEAELP Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1C ZINC001442842748 1097233921 /nfs/dbraw/zinc/23/39/21/1097233921.db2.gz HQLZYXFSULMKQT-SFHVURJKSA-N 2 2 326.444 2.281 10 0 EEAELP Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1C ZINC001442842748 1097233926 /nfs/dbraw/zinc/23/39/26/1097233926.db2.gz HQLZYXFSULMKQT-SFHVURJKSA-N 2 2 326.444 2.281 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CC1CCC(F)(F)CC1 ZINC001442849290 1097240811 /nfs/dbraw/zinc/24/08/11/1097240811.db2.gz RFOHZXFIVVCKIN-HNNXBMFYSA-N 2 2 340.418 2.289 10 0 EEAELP 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OFUKJEGGXPXSMA-CALCHBBNSA-N 2 2 342.443 2.096 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC001480271626 1099977106 /nfs/dbraw/zinc/97/71/06/1099977106.db2.gz KERWJYLGLHGAAU-AWEZNQCLSA-N 2 2 348.397 2.190 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC001480271626 1099977118 /nfs/dbraw/zinc/97/71/18/1099977118.db2.gz KERWJYLGLHGAAU-AWEZNQCLSA-N 2 2 348.397 2.190 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1cncc(F)c1 ZINC001444915123 1099994797 /nfs/dbraw/zinc/99/47/97/1099994797.db2.gz NQWQZHYBDGFJJF-CXAGYDPISA-N 2 2 347.438 2.053 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1cncc(F)c1 ZINC001444915123 1099994804 /nfs/dbraw/zinc/99/48/04/1099994804.db2.gz NQWQZHYBDGFJJF-CXAGYDPISA-N 2 2 347.438 2.053 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001480287030 1099996172 /nfs/dbraw/zinc/99/61/72/1099996172.db2.gz BSFPEYPFGPJUES-DLBZAZTESA-N 2 2 330.476 2.240 10 0 EEAELP 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329.429 2.318 10 0 EEAELP Cc1cc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)on1 ZINC001447971877 1103707027 /nfs/dbraw/zinc/70/70/27/1103707027.db2.gz ISJJPHNGUTYIAK-HUUCEWRRSA-N 2 2 345.447 2.084 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CCN(C)C(=O)Cc2[nH]c[nH+]c2C)C(C)C)o1 ZINC001448228788 1104216865 /nfs/dbraw/zinc/21/68/65/1104216865.db2.gz ZGZYUFNBOGVDJZ-MRXNPFEDSA-N 2 2 347.463 2.220 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C/C=C/Cl)C1)[NH+]1CCCCC1 ZINC001494794403 1104378460 /nfs/dbraw/zinc/37/84/60/1104378460.db2.gz VRFZCIVILPCGQS-DODUIYEKSA-N 2 2 327.900 2.440 10 0 EEAELP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)C1)[NH+]1CCCCC1 ZINC001494794403 1104378470 /nfs/dbraw/zinc/37/84/70/1104378470.db2.gz VRFZCIVILPCGQS-DODUIYEKSA-N 2 2 327.900 2.440 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC001448333096 1104410041 /nfs/dbraw/zinc/41/00/41/1104410041.db2.gz JXKQZYVCZVTWPE-DNVCBOLYSA-N 2 2 338.455 2.397 10 0 EEAELP 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ZINC001498246525 1107148294 /nfs/dbraw/zinc/14/82/94/1107148294.db2.gz HIYDYMCFVPMTGY-YJBOKZPZSA-N 2 2 347.507 2.029 10 0 EEAELP C[C@@H](C[NH+](C)Cc1ccn(C2CCCC2)n1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498246525 1107148299 /nfs/dbraw/zinc/14/82/99/1107148299.db2.gz HIYDYMCFVPMTGY-YJBOKZPZSA-N 2 2 347.507 2.029 10 0 EEAELP C[C@@H](C[NH+](C)Cc1ccn(C2CCCC2)n1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001498246525 1107148302 /nfs/dbraw/zinc/14/83/02/1107148302.db2.gz HIYDYMCFVPMTGY-YJBOKZPZSA-N 2 2 347.507 2.029 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccc(F)cn1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498392926 1107442893 /nfs/dbraw/zinc/44/28/93/1107442893.db2.gz MOPGSEVDZFCWRW-KGLIPLIRSA-N 2 2 333.411 2.005 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccc(F)cn1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001498392926 1107442900 /nfs/dbraw/zinc/44/29/00/1107442900.db2.gz MOPGSEVDZFCWRW-KGLIPLIRSA-N 2 2 333.411 2.005 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001498393965 1107444753 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332.492 2.416 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)on1 ZINC001505764097 1114176306 /nfs/dbraw/zinc/17/63/06/1114176306.db2.gz CMBOAOZHDRQCHC-HOTGVXAUSA-N 2 2 344.459 2.098 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)on1 ZINC001505764097 1114176310 /nfs/dbraw/zinc/17/63/10/1114176310.db2.gz CMBOAOZHDRQCHC-HOTGVXAUSA-N 2 2 344.459 2.098 10 0 EEAELP Cc1cccc(C)c1OCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001505767674 1114179738 /nfs/dbraw/zinc/17/97/38/1114179738.db2.gz FGWPMOMDINCVOL-IAGOWNOFSA-N 2 2 344.459 2.062 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCc1cccs1 ZINC001505948700 1114295981 /nfs/dbraw/zinc/29/59/81/1114295981.db2.gz TWIVRABERNSWMU-LSDHHAIUSA-N 2 2 346.500 2.186 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCc1cccs1 ZINC001505948700 1114295982 /nfs/dbraw/zinc/29/59/82/1114295982.db2.gz TWIVRABERNSWMU-LSDHHAIUSA-N 2 2 346.500 2.186 10 0 EEAELP 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C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CN1Cc1ccccc1 ZINC000422875582 240272649 /nfs/dbraw/zinc/27/26/49/240272649.db2.gz PGTQAWZYERIWML-XFWGSAIBSA-N 2 2 329.488 2.006 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1c[nH+]ccc1N ZINC000423035926 240337926 /nfs/dbraw/zinc/33/79/26/240337926.db2.gz SKGNGRBMJLCLSY-QAPCUYQASA-N 3 2 340.471 2.302 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1c[nH+]ccc1N ZINC000423035926 240337931 /nfs/dbraw/zinc/33/79/31/240337931.db2.gz SKGNGRBMJLCLSY-QAPCUYQASA-N 3 2 340.471 2.302 10 0 EEAELP CCOC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000093148127 218198110 /nfs/dbraw/zinc/19/81/10/218198110.db2.gz BDIBWEYNOMHCAY-INIZCTEOSA-N 2 2 349.475 2.058 10 0 EEAELP CCOC(=O)c1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000093148127 218198113 /nfs/dbraw/zinc/19/81/13/218198113.db2.gz BDIBWEYNOMHCAY-INIZCTEOSA-N 2 2 349.475 2.058 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(COC)cc2)nc[nH+]1 ZINC000174360276 533051571 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COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000130500366 533372735 /nfs/dbraw/zinc/37/27/35/533372735.db2.gz YFCVQBUGVXPRGA-QAPCUYQASA-N 2 2 340.427 2.433 10 0 EEAELP COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000130500366 533372741 /nfs/dbraw/zinc/37/27/41/533372741.db2.gz YFCVQBUGVXPRGA-QAPCUYQASA-N 2 2 340.427 2.433 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172542055 152093094 /nfs/dbraw/zinc/09/30/94/152093094.db2.gz WWTTXHYITTYOIE-UHFFFAOYSA-N 2 2 345.491 2.308 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172542055 152093095 /nfs/dbraw/zinc/09/30/95/152093095.db2.gz WWTTXHYITTYOIE-UHFFFAOYSA-N 2 2 345.491 2.308 10 0 EEAELP CCC(C)(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000190677252 152217669 /nfs/dbraw/zinc/21/76/69/152217669.db2.gz NANXJLRIZASPJW-SJPCQFCGSA-N 2 2 336.524 2.375 10 0 EEAELP CCC(C)(C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000190677252 152217671 /nfs/dbraw/zinc/21/76/71/152217671.db2.gz NANXJLRIZASPJW-SJPCQFCGSA-N 2 2 336.524 2.375 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000124057810 292286099 /nfs/dbraw/zinc/28/60/99/292286099.db2.gz UYPNIMVAOPOSIU-MRXNPFEDSA-N 2 2 347.507 2.315 10 0 EEAELP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000124057810 292286100 /nfs/dbraw/zinc/28/61/00/292286100.db2.gz UYPNIMVAOPOSIU-MRXNPFEDSA-N 2 2 347.507 2.315 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(OC)c1 ZINC000374210558 154005924 /nfs/dbraw/zinc/00/59/24/154005924.db2.gz GNOZOOVASXRJIS-UHFFFAOYSA-N 2 2 344.415 2.245 10 0 EEAELP O[C@@H](COCc1cccs1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249899920 160387440 /nfs/dbraw/zinc/38/74/40/160387440.db2.gz SQSYBONEIXVYKG-HZPDHXFCSA-N 2 2 347.484 2.455 10 0 EEAELP O[C@@H](COCc1cccs1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000249899920 160387441 /nfs/dbraw/zinc/38/74/41/160387441.db2.gz SQSYBONEIXVYKG-HZPDHXFCSA-N 2 2 347.484 2.455 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000252735087 160393566 /nfs/dbraw/zinc/39/35/66/160393566.db2.gz HNTRGWOSJVNGIO-IRXDYDNUSA-N 2 2 337.414 2.168 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000252735087 160393567 /nfs/dbraw/zinc/39/35/67/160393567.db2.gz HNTRGWOSJVNGIO-IRXDYDNUSA-N 2 2 337.414 2.168 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2cccc(C)c2)[C@H](C)C1 ZINC000081096359 159148789 /nfs/dbraw/zinc/14/87/89/159148789.db2.gz MAMMHTCSSXKDJE-MJGOQNOKSA-N 2 2 347.503 2.152 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCOc2cccc(C)c2)[C@H](C)C1 ZINC000081096359 159148791 /nfs/dbraw/zinc/14/87/91/159148791.db2.gz MAMMHTCSSXKDJE-MJGOQNOKSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCOc2cccc(C)c2)[C@H](C)C1 ZINC000081096359 159148793 /nfs/dbraw/zinc/14/87/93/159148793.db2.gz MAMMHTCSSXKDJE-MJGOQNOKSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCOc2cccc(C)c2)[C@H](C)C1 ZINC000081096359 159148794 /nfs/dbraw/zinc/14/87/94/159148794.db2.gz MAMMHTCSSXKDJE-MJGOQNOKSA-N 2 2 347.503 2.152 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089594352 159183151 /nfs/dbraw/zinc/18/31/51/159183151.db2.gz MMWQETGDOZLOLL-HOTGVXAUSA-N 2 2 347.850 2.281 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000089594352 159183153 /nfs/dbraw/zinc/18/31/53/159183153.db2.gz MMWQETGDOZLOLL-HOTGVXAUSA-N 2 2 347.850 2.281 10 0 EEAELP C[NH+](C)Cc1cccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000184230355 160004236 /nfs/dbraw/zinc/00/42/36/160004236.db2.gz XUQLGMLJJYBZSJ-UHFFFAOYSA-N 2 2 338.455 2.496 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCCc4ccccc43)CC[C@H]21 ZINC000248131216 160339108 /nfs/dbraw/zinc/33/91/08/160339108.db2.gz OMSVZFLRJVVIOP-ZWKOTPCHSA-N 2 2 327.472 2.382 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N3CCCc4ccccc43)CC[C@H]21 ZINC000248131216 160339109 /nfs/dbraw/zinc/33/91/09/160339109.db2.gz OMSVZFLRJVVIOP-ZWKOTPCHSA-N 2 2 327.472 2.382 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N3CCCc4ccccc43)CC[C@H]21 ZINC000248131216 160339110 /nfs/dbraw/zinc/33/91/10/160339110.db2.gz OMSVZFLRJVVIOP-ZWKOTPCHSA-N 2 2 327.472 2.382 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N3CCCc4ccccc43)CC[C@H]21 ZINC000248131216 160339111 /nfs/dbraw/zinc/33/91/11/160339111.db2.gz OMSVZFLRJVVIOP-ZWKOTPCHSA-N 2 2 327.472 2.382 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248452405 160346969 /nfs/dbraw/zinc/34/69/69/160346969.db2.gz YQQOOHDHXPOWLW-QZTJIDSGSA-N 2 2 339.524 2.066 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000248452405 160346971 /nfs/dbraw/zinc/34/69/71/160346971.db2.gz YQQOOHDHXPOWLW-QZTJIDSGSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@@H]1CCC[C@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000342084514 161038123 /nfs/dbraw/zinc/03/81/23/161038123.db2.gz BCPDTCHJVUTZEV-AQVVAKNZSA-N 2 2 348.535 2.375 10 0 EEAELP C[C@@H]1CCC[C@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000342084514 161038124 /nfs/dbraw/zinc/03/81/24/161038124.db2.gz BCPDTCHJVUTZEV-AQVVAKNZSA-N 2 2 348.535 2.375 10 0 EEAELP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CC=CCC1 ZINC000344031754 161191837 /nfs/dbraw/zinc/19/18/37/161191837.db2.gz CWZJJSLMMQCMOO-KRWDZBQOSA-N 2 2 331.460 2.212 10 0 EEAELP C[N@H+](CC(=O)N1CC[NH+](Cc2ccco2)CC1)C[C@H]1CC=CCC1 ZINC000344031754 161191838 /nfs/dbraw/zinc/19/18/38/161191838.db2.gz CWZJJSLMMQCMOO-KRWDZBQOSA-N 2 2 331.460 2.212 10 0 EEAELP Cc1cccc(NC(=O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374421189 167040456 /nfs/dbraw/zinc/04/04/56/167040456.db2.gz NNEYLOONAGUHLM-RCCFBDPRSA-N 2 2 331.460 2.117 10 0 EEAELP Cc1cccc(NC(=O)C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374421189 167040457 /nfs/dbraw/zinc/04/04/57/167040457.db2.gz NNEYLOONAGUHLM-RCCFBDPRSA-N 2 2 331.460 2.117 10 0 EEAELP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1csnn1)CC2 ZINC000275577160 269125839 /nfs/dbraw/zinc/12/58/39/269125839.db2.gz HEMVMHMSQVVUJJ-CYBMUJFWSA-N 2 2 335.502 2.481 10 0 EEAELP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1csnn1)CC2 ZINC000275577160 269125840 /nfs/dbraw/zinc/12/58/40/269125840.db2.gz HEMVMHMSQVVUJJ-CYBMUJFWSA-N 2 2 335.502 2.481 10 0 EEAELP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000271440653 274131570 /nfs/dbraw/zinc/13/15/70/274131570.db2.gz CIPMUPOLPLFIBO-RDJZCZTQSA-N 2 2 339.842 2.435 10 0 EEAELP CN1C(=O)C[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)cc1 ZINC000192157248 277014372 /nfs/dbraw/zinc/01/43/72/277014372.db2.gz HNZFEECSDNZEHB-RDJZCZTQSA-N 2 2 332.835 2.488 10 0 EEAELP CC(C)n1c[nH+]cc1CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000425322568 280784287 /nfs/dbraw/zinc/78/42/87/280784287.db2.gz HKSDVJSRKZKZNB-ROUUACIJSA-N 2 2 333.524 2.454 10 0 EEAELP Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000229570761 293006006 /nfs/dbraw/zinc/00/60/06/293006006.db2.gz NARPTSJSHNLICF-MBOZVWFJSA-N 2 2 342.487 2.150 10 0 EEAELP Cc1cnn([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000229570761 293006008 /nfs/dbraw/zinc/00/60/08/293006008.db2.gz NARPTSJSHNLICF-MBOZVWFJSA-N 2 2 342.487 2.150 10 0 EEAELP CC(=O)c1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000297574268 294284069 /nfs/dbraw/zinc/28/40/69/294284069.db2.gz SFIUAKAMVAPSIV-HXUWFJFHSA-N 2 2 329.488 2.491 10 0 EEAELP CC(=O)c1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000297574268 294284071 /nfs/dbraw/zinc/28/40/71/294284071.db2.gz SFIUAKAMVAPSIV-HXUWFJFHSA-N 2 2 329.488 2.491 10 0 EEAELP [NH3+]C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000420370925 295243870 /nfs/dbraw/zinc/24/38/70/295243870.db2.gz PGZBVOWLFPGFRO-UONOGXRCSA-N 2 2 335.414 2.285 10 0 EEAELP COC(=O)[C@H]1CSCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414577633 313042988 /nfs/dbraw/zinc/04/29/88/313042988.db2.gz HMDMANACQBQZEF-GFCCVEGCSA-N 2 2 337.470 2.272 10 0 EEAELP COC(=O)[C@H]1CSCC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000414577633 313042990 /nfs/dbraw/zinc/04/29/90/313042990.db2.gz HMDMANACQBQZEF-GFCCVEGCSA-N 2 2 337.470 2.272 10 0 EEAELP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414831113 313099156 /nfs/dbraw/zinc/09/91/56/313099156.db2.gz MRHKUWUDGGWJJU-KBXCAEBGSA-N 2 2 337.423 2.351 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000422602303 314293421 /nfs/dbraw/zinc/29/34/21/314293421.db2.gz FVVNVVSKPNEVCZ-GJZGRUSLSA-N 2 2 340.418 2.137 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000422602303 314293423 /nfs/dbraw/zinc/29/34/23/314293423.db2.gz FVVNVVSKPNEVCZ-GJZGRUSLSA-N 2 2 340.418 2.137 10 0 EEAELP CC(C)[C@H](C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000443313673 315240519 /nfs/dbraw/zinc/24/05/19/315240519.db2.gz XNVYQWKCTYJBOM-QGZVFWFLSA-N 2 2 337.895 2.401 10 0 EEAELP CC(C)[C@H](C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1)[NH+](C)C ZINC000443313673 315240523 /nfs/dbraw/zinc/24/05/23/315240523.db2.gz XNVYQWKCTYJBOM-QGZVFWFLSA-N 2 2 337.895 2.401 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000527972955 317296080 /nfs/dbraw/zinc/29/60/80/317296080.db2.gz ZWVAUVJRLSVIJP-XFQXTVEOSA-N 2 2 329.488 2.342 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000527972955 317296082 /nfs/dbraw/zinc/29/60/82/317296082.db2.gz ZWVAUVJRLSVIJP-XFQXTVEOSA-N 2 2 329.488 2.342 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000528009116 317302141 /nfs/dbraw/zinc/30/21/41/317302141.db2.gz GOOXLGYDLJUSTE-KDOFPFPSSA-N 2 2 326.448 2.330 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(-n2cnnn2)cc1 ZINC000528009116 317302144 /nfs/dbraw/zinc/30/21/44/317302144.db2.gz GOOXLGYDLJUSTE-KDOFPFPSSA-N 2 2 326.448 2.330 10 0 EEAELP Cc1c[nH+]cn1Cc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000528069045 317312518 /nfs/dbraw/zinc/31/25/18/317312518.db2.gz BPFHFYKRDLQKAB-UHFFFAOYSA-N 2 2 339.399 2.122 10 0 EEAELP COc1cc(C)[nH+]c(CNc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000529643934 317623371 /nfs/dbraw/zinc/62/33/71/317623371.db2.gz LIDGMFWBPXRSSF-UHFFFAOYSA-N 2 2 342.443 2.302 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)CC1 ZINC000543254529 318153863 /nfs/dbraw/zinc/15/38/63/318153863.db2.gz ZNDSCLPXOGOUQS-MJGOQNOKSA-N 2 2 329.488 2.337 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](c3ccc(C)cc3)C2)CC1 ZINC000543254529 318153864 /nfs/dbraw/zinc/15/38/64/318153864.db2.gz ZNDSCLPXOGOUQS-MJGOQNOKSA-N 2 2 329.488 2.337 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000563872745 319050954 /nfs/dbraw/zinc/05/09/54/319050954.db2.gz KNBXFLSCSJVQOZ-UHFFFAOYSA-N 2 2 334.423 2.322 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC000565174151 319156853 /nfs/dbraw/zinc/15/68/53/319156853.db2.gz RFXZQLLKYZIRBO-HNNXBMFYSA-N 2 2 341.459 2.369 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC000565174151 319156854 /nfs/dbraw/zinc/15/68/54/319156854.db2.gz RFXZQLLKYZIRBO-HNNXBMFYSA-N 2 2 341.459 2.369 10 0 EEAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000566407910 319282378 /nfs/dbraw/zinc/28/23/78/319282378.db2.gz RGIRGALAKPXDRA-INIZCTEOSA-N 2 2 338.455 2.102 10 0 EEAELP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000566443226 319287884 /nfs/dbraw/zinc/28/78/84/319287884.db2.gz OWPFZRVKMHBQOO-INIZCTEOSA-N 2 2 348.516 2.333 10 0 EEAELP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000566443226 319287886 /nfs/dbraw/zinc/28/78/86/319287886.db2.gz OWPFZRVKMHBQOO-INIZCTEOSA-N 2 2 348.516 2.333 10 0 EEAELP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCn4c[nH+]cc4C3)cccc21 ZINC000568716827 319512045 /nfs/dbraw/zinc/51/20/45/319512045.db2.gz OOQPUHJPPWZKSC-SUMWQHHRSA-N 2 2 340.427 2.469 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCCc2cn(C)c[nH+]2)CC1 ZINC000569787954 319606964 /nfs/dbraw/zinc/60/69/64/319606964.db2.gz VVRCJNDLOKIMDF-AWEZNQCLSA-N 2 2 347.488 2.113 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582003416 324359737 /nfs/dbraw/zinc/35/97/37/324359737.db2.gz IXLOBUHGEIZWFJ-RZQQEMMASA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582003416 324359739 /nfs/dbraw/zinc/35/97/39/324359739.db2.gz IXLOBUHGEIZWFJ-RZQQEMMASA-N 2 2 345.487 2.336 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)n1 ZINC000351513297 465195040 /nfs/dbraw/zinc/19/50/40/465195040.db2.gz KGVHFPVXZPXRDS-QGZVFWFLSA-N 2 2 334.508 2.328 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)n1 ZINC000351513297 465195045 /nfs/dbraw/zinc/19/50/45/465195045.db2.gz KGVHFPVXZPXRDS-QGZVFWFLSA-N 2 2 334.508 2.328 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)n1 ZINC000351513297 465195051 /nfs/dbraw/zinc/19/50/51/465195051.db2.gz KGVHFPVXZPXRDS-QGZVFWFLSA-N 2 2 334.508 2.328 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)n1 ZINC000351513297 465195054 /nfs/dbraw/zinc/19/50/54/465195054.db2.gz KGVHFPVXZPXRDS-QGZVFWFLSA-N 2 2 334.508 2.328 10 0 EEAELP CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090004007 462763770 /nfs/dbraw/zinc/76/37/70/462763770.db2.gz FQHGXMZNEJPBFT-ZDUSSCGKSA-N 2 2 333.461 2.290 10 0 EEAELP CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cs1 ZINC000090004007 462763775 /nfs/dbraw/zinc/76/37/75/462763775.db2.gz FQHGXMZNEJPBFT-ZDUSSCGKSA-N 2 2 333.461 2.290 10 0 EEAELP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133123467 462901620 /nfs/dbraw/zinc/90/16/20/462901620.db2.gz URHFLPNPDGSGNF-OWCLPIDISA-N 2 2 325.403 2.166 10 0 EEAELP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000133123467 462901624 /nfs/dbraw/zinc/90/16/24/462901624.db2.gz URHFLPNPDGSGNF-OWCLPIDISA-N 2 2 325.403 2.166 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1F ZINC000052520027 463084353 /nfs/dbraw/zinc/08/43/53/463084353.db2.gz SLWGWHHQFALNHI-CZUORRHYSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1F ZINC000052520027 463084357 /nfs/dbraw/zinc/08/43/57/463084357.db2.gz SLWGWHHQFALNHI-CZUORRHYSA-N 2 2 345.422 2.042 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000124401472 463418793 /nfs/dbraw/zinc/41/87/93/463418793.db2.gz CJWKRPLUAPWWNP-QGZVFWFLSA-N 2 2 345.491 2.034 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000124401472 463418795 /nfs/dbraw/zinc/41/87/95/463418795.db2.gz CJWKRPLUAPWWNP-QGZVFWFLSA-N 2 2 345.491 2.034 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105185394 463443054 /nfs/dbraw/zinc/44/30/54/463443054.db2.gz IUHIEGMWEMKXKA-KRWDZBQOSA-N 2 2 339.443 2.252 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105185394 463443060 /nfs/dbraw/zinc/44/30/60/463443060.db2.gz IUHIEGMWEMKXKA-KRWDZBQOSA-N 2 2 339.443 2.252 10 0 EEAELP Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000071882213 463454560 /nfs/dbraw/zinc/45/45/60/463454560.db2.gz NARPTSJSHNLICF-QKLQHJQFSA-N 2 2 342.487 2.150 10 0 EEAELP Cc1cnn([C@H](C)[C@H](C)[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000071882213 463454563 /nfs/dbraw/zinc/45/45/63/463454563.db2.gz NARPTSJSHNLICF-QKLQHJQFSA-N 2 2 342.487 2.150 10 0 EEAELP Cc1nn(C)c(N(C)C)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000058393344 463591490 /nfs/dbraw/zinc/59/14/90/463591490.db2.gz BLZOEDJDHPGEEE-UHFFFAOYSA-N 2 2 338.459 2.329 10 0 EEAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000073812016 463659788 /nfs/dbraw/zinc/65/97/88/463659788.db2.gz NNYKCRXAALWLPQ-QGZVFWFLSA-N 2 2 341.459 2.167 10 0 EEAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000073812016 463659791 /nfs/dbraw/zinc/65/97/91/463659791.db2.gz NNYKCRXAALWLPQ-QGZVFWFLSA-N 2 2 341.459 2.167 10 0 EEAELP Nc1cc[nH+]cc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000261668316 463820035 /nfs/dbraw/zinc/82/00/35/463820035.db2.gz GMSIMLIZGFNMIS-UHFFFAOYSA-N 2 2 337.383 2.213 10 0 EEAELP c1cn(Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c[nH+]1 ZINC000261991452 463919833 /nfs/dbraw/zinc/91/98/33/463919833.db2.gz SUSOARMUEQECLN-VAMGGRTRSA-N 3 2 340.471 2.178 10 0 EEAELP CCC[C@@H](C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1)[NH+](C)C ZINC000178643084 463935842 /nfs/dbraw/zinc/93/58/42/463935842.db2.gz MXVHPONYZBGNGL-IBGZPJMESA-N 2 2 347.503 2.460 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2)C1 ZINC000172432172 464079407 /nfs/dbraw/zinc/07/94/07/464079407.db2.gz RXYDSXCXMBDCIY-OAHLLOKOSA-N 2 2 330.436 2.079 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@@H+]1C ZINC000173648763 464301300 /nfs/dbraw/zinc/30/13/00/464301300.db2.gz CJDPRJHQVVOJHR-ZBFHGGJFSA-N 2 2 329.448 2.001 10 0 EEAELP C[C@@H]1C[C@@H](N(C)C(=O)NCCc2cn3ccccc3[nH+]2)CC[N@H+]1C ZINC000173648763 464301304 /nfs/dbraw/zinc/30/13/04/464301304.db2.gz CJDPRJHQVVOJHR-ZBFHGGJFSA-N 2 2 329.448 2.001 10 0 EEAELP C[N@@H+]1CCC[C@H](CNC(=O)NCCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000173903000 464327953 /nfs/dbraw/zinc/32/79/53/464327953.db2.gz UXUNZVCAMGYPSG-GDBMZVCRSA-N 2 2 347.488 2.327 10 0 EEAELP C[N@H+]1CCC[C@H](CNC(=O)NCCn2cc[nH+]c2)[C@@H]1c1cccs1 ZINC000173903000 464327960 /nfs/dbraw/zinc/32/79/60/464327960.db2.gz UXUNZVCAMGYPSG-GDBMZVCRSA-N 2 2 347.488 2.327 10 0 EEAELP CC(C)[NH+](CCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)C(C)C ZINC000173919222 464331571 /nfs/dbraw/zinc/33/15/71/464331571.db2.gz LPSYTACWDSJGCX-MRXNPFEDSA-N 2 2 335.496 2.359 10 0 EEAELP CC(C)[NH+](CCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)C(C)C ZINC000173919222 464331575 /nfs/dbraw/zinc/33/15/75/464331575.db2.gz LPSYTACWDSJGCX-MRXNPFEDSA-N 2 2 335.496 2.359 10 0 EEAELP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@@H+]1CCC[C@H](C)C1 ZINC000272205832 464518310 /nfs/dbraw/zinc/51/83/10/464518310.db2.gz IDDNAPDEDJNFRT-GJZGRUSLSA-N 2 2 327.432 2.118 10 0 EEAELP C[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@H+]1CCC[C@H](C)C1 ZINC000272205832 464518315 /nfs/dbraw/zinc/51/83/15/464518315.db2.gz IDDNAPDEDJNFRT-GJZGRUSLSA-N 2 2 327.432 2.118 10 0 EEAELP CCO[C@@H]1C[C@]([NH2+]CCCCn2cc[nH+]c2C)(C(=O)OC)C1(C)C ZINC000189849694 464557290 /nfs/dbraw/zinc/55/72/90/464557290.db2.gz HKLWYVYASQDCQU-QAPCUYQASA-N 2 2 337.464 2.308 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCC(F)(F)F ZINC000282116058 464702033 /nfs/dbraw/zinc/70/20/33/464702033.db2.gz QGCBPCCPGWSCAF-LBPRGKRZSA-N 2 2 344.381 2.077 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NCC(F)(F)F ZINC000282116058 464702040 /nfs/dbraw/zinc/70/20/40/464702040.db2.gz QGCBPCCPGWSCAF-LBPRGKRZSA-N 2 2 344.381 2.077 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC000248108713 464730425 /nfs/dbraw/zinc/73/04/25/464730425.db2.gz PXHZAHOQLIAEIV-IEBWSBKVSA-N 2 2 344.503 2.427 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccncc1 ZINC000248108713 464730434 /nfs/dbraw/zinc/73/04/34/464730434.db2.gz PXHZAHOQLIAEIV-IEBWSBKVSA-N 2 2 344.503 2.427 10 0 EEAELP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000248108713 464730440 /nfs/dbraw/zinc/73/04/40/464730440.db2.gz PXHZAHOQLIAEIV-IEBWSBKVSA-N 2 2 344.503 2.427 10 0 EEAELP CC(C)[N@H+](C)CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337633002 465483282 /nfs/dbraw/zinc/48/32/82/465483282.db2.gz AQLNZBGMPBXCAT-INIZCTEOSA-N 2 2 347.507 2.449 10 0 EEAELP CC(C)[N@@H+](C)CCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337633002 465483288 /nfs/dbraw/zinc/48/32/88/465483288.db2.gz AQLNZBGMPBXCAT-INIZCTEOSA-N 2 2 347.507 2.449 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCC(F)(F)CC1 ZINC000340151602 465821920 /nfs/dbraw/zinc/82/19/20/465821920.db2.gz FDGJCKLIXMIZOE-UHFFFAOYSA-N 2 2 331.451 2.296 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1CCC(F)(F)CC1 ZINC000340151602 465821926 /nfs/dbraw/zinc/82/19/26/465821926.db2.gz FDGJCKLIXMIZOE-UHFFFAOYSA-N 2 2 331.451 2.296 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000366859821 465979348 /nfs/dbraw/zinc/97/93/48/465979348.db2.gz WFTDOIFMQDGPLT-QGZVFWFLSA-N 2 2 340.471 2.476 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCc1c[nH+]cn1C ZINC000366859821 465979353 /nfs/dbraw/zinc/97/93/53/465979353.db2.gz WFTDOIFMQDGPLT-QGZVFWFLSA-N 2 2 340.471 2.476 10 0 EEAELP c1cn(-c2csc(C[NH+]3CCN(c4cccnn4)CC3)c2)c[nH+]1 ZINC000346197249 465982237 /nfs/dbraw/zinc/98/22/37/465982237.db2.gz DWUHFYCUDSZJGX-UHFFFAOYSA-N 2 2 326.429 2.046 10 0 EEAELP Cc1[nH+]cc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1C ZINC000580097699 468467106 /nfs/dbraw/zinc/46/71/06/468467106.db2.gz WSKVVFATBFWUJW-KBPBESRZSA-N 2 2 329.448 2.027 10 0 EEAELP CCc1cc(NCc2ccc(N3CC[NH+](CC)CC3)nc2)nc(C)[nH+]1 ZINC000302028162 466081680 /nfs/dbraw/zinc/08/16/80/466081680.db2.gz AUEQRIGVKXXBKX-UHFFFAOYSA-N 2 2 340.475 2.496 10 0 EEAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000302682869 466165556 /nfs/dbraw/zinc/16/55/56/466165556.db2.gz XLBQNZMZFFRESV-LSDHHAIUSA-N 2 2 329.444 2.443 10 0 EEAELP COc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000302682869 466165560 /nfs/dbraw/zinc/16/55/60/466165560.db2.gz XLBQNZMZFFRESV-LSDHHAIUSA-N 2 2 329.444 2.443 10 0 EEAELP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357823063 466240744 /nfs/dbraw/zinc/24/07/44/466240744.db2.gz AFYHGRDVUZIXQV-GJZGRUSLSA-N 2 2 333.480 2.078 10 0 EEAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357823063 466240753 /nfs/dbraw/zinc/24/07/53/466240753.db2.gz AFYHGRDVUZIXQV-GJZGRUSLSA-N 2 2 333.480 2.078 10 0 EEAELP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357823063 466240758 /nfs/dbraw/zinc/24/07/58/466240758.db2.gz AFYHGRDVUZIXQV-GJZGRUSLSA-N 2 2 333.480 2.078 10 0 EEAELP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357823063 466240764 /nfs/dbraw/zinc/24/07/64/466240764.db2.gz AFYHGRDVUZIXQV-GJZGRUSLSA-N 2 2 333.480 2.078 10 0 EEAELP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(F)F ZINC000340825594 466365369 /nfs/dbraw/zinc/36/53/69/466365369.db2.gz OKNOQKKUKZPHMN-AWEZNQCLSA-N 2 2 331.451 2.344 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001929 466379788 /nfs/dbraw/zinc/37/97/88/466379788.db2.gz FWDNUQOIPGALGJ-AZUAARDMSA-N 3 2 330.520 2.129 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358001929 466379791 /nfs/dbraw/zinc/37/97/91/466379791.db2.gz FWDNUQOIPGALGJ-AZUAARDMSA-N 3 2 330.520 2.129 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1 ZINC000313263215 466538623 /nfs/dbraw/zinc/53/86/23/466538623.db2.gz LLSNOYZGCWAXSX-UHFFFAOYSA-N 2 2 338.205 2.244 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)C[NH+](C)C)c(C)c1 ZINC000354518992 466625367 /nfs/dbraw/zinc/62/53/67/466625367.db2.gz XXLCSSBOIWLOTD-WMZOPIPTSA-N 2 2 343.475 2.491 10 0 EEAELP CN(C(=O)NCC1CCCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363816810 466628032 /nfs/dbraw/zinc/62/80/32/466628032.db2.gz JIGGZMZDRYCPFB-SFHVURJKSA-N 2 2 336.524 2.377 10 0 EEAELP CN(C(=O)NCC1CCCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363816810 466628037 /nfs/dbraw/zinc/62/80/37/466628037.db2.gz JIGGZMZDRYCPFB-SFHVURJKSA-N 2 2 336.524 2.377 10 0 EEAELP Cc1ccc([C@H](CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000422884834 466686669 /nfs/dbraw/zinc/68/66/69/466686669.db2.gz XQXXMVYJWXOGPW-YTQUADARSA-N 2 2 333.476 2.082 10 0 EEAELP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373084474 466686916 /nfs/dbraw/zinc/68/69/16/466686916.db2.gz RPZOFGYPCRXUGN-INIZCTEOSA-N 2 2 331.464 2.316 10 0 EEAELP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000373084474 466686917 /nfs/dbraw/zinc/68/69/17/466686917.db2.gz RPZOFGYPCRXUGN-INIZCTEOSA-N 2 2 331.464 2.316 10 0 EEAELP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423250378 466703382 /nfs/dbraw/zinc/70/33/82/466703382.db2.gz UXFMYACHXLFUPT-KDOFPFPSSA-N 2 2 347.484 2.288 10 0 EEAELP C[NH+](C)CCN(Cc1cccs1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651465134 471178497 /nfs/dbraw/zinc/17/84/97/471178497.db2.gz AUDBYXPDHUNWDC-UHFFFAOYSA-N 2 2 346.500 2.414 10 0 EEAELP c1c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[nH]nc1-c1ccccc1 ZINC000657751299 471226963 /nfs/dbraw/zinc/22/69/63/471226963.db2.gz POSTZVTZJQNPGJ-GOSISDBHSA-N 2 2 326.444 2.420 10 0 EEAELP COC[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000423430240 466747875 /nfs/dbraw/zinc/74/78/75/466747875.db2.gz PRBRHWVBELFYNP-YSIASYRMSA-N 3 2 331.504 2.255 10 0 EEAELP COC[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CCC[NH2+]1 ZINC000423430240 466747877 /nfs/dbraw/zinc/74/78/77/466747877.db2.gz PRBRHWVBELFYNP-YSIASYRMSA-N 3 2 331.504 2.255 10 0 EEAELP C[C@@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967980 471238897 /nfs/dbraw/zinc/23/88/97/471238897.db2.gz KNKCOFWKQMJOLM-GXTWGEPZSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H](CC(F)(F)F)C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967980 471238900 /nfs/dbraw/zinc/23/89/00/471238900.db2.gz KNKCOFWKQMJOLM-GXTWGEPZSA-N 2 2 335.414 2.202 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000373414692 466796230 /nfs/dbraw/zinc/79/62/30/466796230.db2.gz AUYWGVPWNZQXQS-UHFFFAOYSA-N 2 2 344.381 2.195 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370228785 466804282 /nfs/dbraw/zinc/80/42/82/466804282.db2.gz ZHXVICQPZSQVFH-HNNXBMFYSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000370228785 466804288 /nfs/dbraw/zinc/80/42/88/466804288.db2.gz ZHXVICQPZSQVFH-HNNXBMFYSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000370228785 466804292 /nfs/dbraw/zinc/80/42/92/466804292.db2.gz ZHXVICQPZSQVFH-HNNXBMFYSA-N 2 2 333.480 2.419 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000370228785 466804297 /nfs/dbraw/zinc/80/42/97/466804297.db2.gz ZHXVICQPZSQVFH-HNNXBMFYSA-N 2 2 333.480 2.419 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373531068 466835208 /nfs/dbraw/zinc/83/52/08/466835208.db2.gz CTKCTHUFKMTYIR-KRWDZBQOSA-N 2 2 332.492 2.467 10 0 EEAELP CC(C)Cc1nsc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000376923560 466968005 /nfs/dbraw/zinc/96/80/05/466968005.db2.gz SKHPWZWJQSKIDJ-OAHLLOKOSA-N 2 2 337.537 2.341 10 0 EEAELP CC(C)Cc1nsc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000376923560 466968010 /nfs/dbraw/zinc/96/80/10/466968010.db2.gz SKHPWZWJQSKIDJ-OAHLLOKOSA-N 2 2 337.537 2.341 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000413439339 467242599 /nfs/dbraw/zinc/24/25/99/467242599.db2.gz NGQMLYFSCCPQSW-UYAOXDASSA-N 2 2 347.478 2.356 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1C[C@@]1(F)c1ccccc1 ZINC000413439339 467242601 /nfs/dbraw/zinc/24/26/01/467242601.db2.gz NGQMLYFSCCPQSW-UYAOXDASSA-N 2 2 347.478 2.356 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+]CC2CCN(c3ccccc3)CC2)n1C ZINC000419728359 467242782 /nfs/dbraw/zinc/24/27/82/467242782.db2.gz NBJVLBDNNOIHOY-UHFFFAOYSA-N 2 2 327.476 2.492 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC34CCCC4)CC2)CC1 ZINC000428559048 467246574 /nfs/dbraw/zinc/24/65/74/467246574.db2.gz NABGFBSMIUQXFF-QGZVFWFLSA-N 2 2 334.508 2.177 10 0 EEAELP CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000391852399 467423673 /nfs/dbraw/zinc/42/36/73/467423673.db2.gz ZYYYEOKAWBISJP-YJBOKZPZSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000391852399 467423675 /nfs/dbraw/zinc/42/36/75/467423675.db2.gz ZYYYEOKAWBISJP-YJBOKZPZSA-N 2 2 331.460 2.488 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449243948 467625568 /nfs/dbraw/zinc/62/55/68/467625568.db2.gz OKQQGFKCIUDMHQ-HIFRSBDPSA-N 2 2 343.240 2.232 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449243948 467625570 /nfs/dbraw/zinc/62/55/70/467625570.db2.gz OKQQGFKCIUDMHQ-HIFRSBDPSA-N 2 2 343.240 2.232 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)NCCc1cn(C)c[nH+]1)c1ccsc1 ZINC000457691339 467679859 /nfs/dbraw/zinc/67/98/59/467679859.db2.gz PZRARTMOPDHMKT-MRXNPFEDSA-N 2 2 349.504 2.406 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000528805298 467760860 /nfs/dbraw/zinc/76/08/60/467760860.db2.gz YEADYLPFHXRVJV-UHFFFAOYSA-N 2 2 337.427 2.337 10 0 EEAELP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCc1[nH+]ccn1CC)c1ccco1 ZINC000458772901 467896248 /nfs/dbraw/zinc/89/62/48/467896248.db2.gz PIDYBARIQRKEFF-ZIAGYGMSSA-N 2 2 333.436 2.425 10 0 EEAELP CC[C@H](C)[NH2+][C@H](CNC(=O)NCc1[nH+]ccn1CC)c1ccco1 ZINC000458772900 467896286 /nfs/dbraw/zinc/89/62/86/467896286.db2.gz PIDYBARIQRKEFF-UONOGXRCSA-N 2 2 333.436 2.425 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)n1-c1ccccc1 ZINC000515174355 467977257 /nfs/dbraw/zinc/97/72/57/467977257.db2.gz GERPCLCMASKUEE-YJBOKZPZSA-N 2 2 331.460 2.428 10 0 EEAELP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000519020383 468137819 /nfs/dbraw/zinc/13/78/19/468137819.db2.gz FFKJXZDQGGIXRG-GFCCVEGCSA-N 2 2 349.385 2.371 10 0 EEAELP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000519020383 468137825 /nfs/dbraw/zinc/13/78/25/468137825.db2.gz FFKJXZDQGGIXRG-GFCCVEGCSA-N 2 2 349.385 2.371 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000594506709 468611333 /nfs/dbraw/zinc/61/13/33/468611333.db2.gz XADXULGSIZGFCD-IEBWSBKVSA-N 2 2 346.471 2.287 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000594506709 468611335 /nfs/dbraw/zinc/61/13/35/468611335.db2.gz XADXULGSIZGFCD-IEBWSBKVSA-N 2 2 346.471 2.287 10 0 EEAELP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000600754012 468648797 /nfs/dbraw/zinc/64/87/97/468648797.db2.gz DICZGULUFLUMNP-RMXPPQQLSA-N 2 2 338.492 2.077 10 0 EEAELP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000600754012 468648804 /nfs/dbraw/zinc/64/88/04/468648804.db2.gz DICZGULUFLUMNP-RMXPPQQLSA-N 2 2 338.492 2.077 10 0 EEAELP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000600771838 468653657 /nfs/dbraw/zinc/65/36/57/468653657.db2.gz BMPYGZSINQIPBG-DGCLKSJQSA-N 2 2 332.400 2.458 10 0 EEAELP COC(=O)[C@@H](C)Oc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000592438864 468698747 /nfs/dbraw/zinc/69/87/47/468698747.db2.gz QVVVVHBHGRSSDJ-RHSMWYFYSA-N 2 2 332.444 2.391 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](OC(F)F)C3)c2cc1C ZINC000570945326 468718211 /nfs/dbraw/zinc/71/82/11/468718211.db2.gz DIZBUOXINAQZNK-KBPBESRZSA-N 2 2 339.386 2.328 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](OC(F)F)C3)c2cc1C ZINC000570945326 468718215 /nfs/dbraw/zinc/71/82/15/468718215.db2.gz DIZBUOXINAQZNK-KBPBESRZSA-N 2 2 339.386 2.328 10 0 EEAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000571499841 468796298 /nfs/dbraw/zinc/79/62/98/468796298.db2.gz JYHVZVMNQPXSQI-CQSZACIVSA-N 2 2 347.488 2.102 10 0 EEAELP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000571499841 468796302 /nfs/dbraw/zinc/79/63/02/468796302.db2.gz JYHVZVMNQPXSQI-CQSZACIVSA-N 2 2 347.488 2.102 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000560498973 468821093 /nfs/dbraw/zinc/82/10/93/468821093.db2.gz PQXHRYXZYJXXFV-QAPCUYQASA-N 2 2 341.459 2.097 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000560498973 468821098 /nfs/dbraw/zinc/82/10/98/468821098.db2.gz PQXHRYXZYJXXFV-QAPCUYQASA-N 2 2 341.459 2.097 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC000601334764 468830765 /nfs/dbraw/zinc/83/07/65/468830765.db2.gz NLIDQNVSUSVPST-DOTOQJQBSA-N 2 2 344.459 2.025 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC000601334764 468830768 /nfs/dbraw/zinc/83/07/68/468830768.db2.gz NLIDQNVSUSVPST-DOTOQJQBSA-N 2 2 344.459 2.025 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000561475529 468896043 /nfs/dbraw/zinc/89/60/43/468896043.db2.gz LBCUNZRJUVKPOF-WMLDXEAASA-N 2 2 341.459 2.430 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)C[C@H]1CCC[N@H+]1C ZINC000561475529 468896048 /nfs/dbraw/zinc/89/60/48/468896048.db2.gz LBCUNZRJUVKPOF-WMLDXEAASA-N 2 2 341.459 2.430 10 0 EEAELP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cn[nH]c3)CC2)c1 ZINC000593313949 468935740 /nfs/dbraw/zinc/93/57/40/468935740.db2.gz JQEHQHAGTQYJJZ-UHFFFAOYSA-N 2 2 333.867 2.365 10 0 EEAELP CN1C(=O)C[C@@H]([NH2+]CCn2cc[nH+]c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000562338649 468939087 /nfs/dbraw/zinc/93/90/87/468939087.db2.gz SHGOGUIGROLPAZ-GDBMZVCRSA-N 2 2 336.798 2.237 10 0 EEAELP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000585118319 468979848 /nfs/dbraw/zinc/97/98/48/468979848.db2.gz KKAYSEQOSQXHDG-INIZCTEOSA-N 2 2 334.439 2.194 10 0 EEAELP CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000562673010 469029211 /nfs/dbraw/zinc/02/92/11/469029211.db2.gz JPPBZLMXHKYARL-ZDUSSCGKSA-N 2 2 333.461 2.169 10 0 EEAELP CCN1CC[NH+](Cc2ccc(NC(=O)C[N@@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000573230752 469088526 /nfs/dbraw/zinc/08/85/26/469088526.db2.gz ASLKUDOYTSMXQM-KRWDZBQOSA-N 2 2 344.503 2.104 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000596169971 469184408 /nfs/dbraw/zinc/18/44/08/469184408.db2.gz MKYDNXXCTYWUFK-WBVHZDCISA-N 2 2 329.444 2.250 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000596169971 469184415 /nfs/dbraw/zinc/18/44/15/469184415.db2.gz MKYDNXXCTYWUFK-WBVHZDCISA-N 2 2 329.444 2.250 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744475 469372277 /nfs/dbraw/zinc/37/22/77/469372277.db2.gz PAPVHAKWXAPBLN-SQWLQELKSA-N 2 2 346.393 2.212 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744475 469372285 /nfs/dbraw/zinc/37/22/85/469372285.db2.gz PAPVHAKWXAPBLN-SQWLQELKSA-N 2 2 346.393 2.212 10 0 EEAELP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000623090217 469546933 /nfs/dbraw/zinc/54/69/33/469546933.db2.gz DBHSHFAKZFLHOY-UHFFFAOYSA-N 3 2 335.402 2.334 10 0 EEAELP COc1ncc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000629523259 469571707 /nfs/dbraw/zinc/57/17/07/469571707.db2.gz CQDXNWZHFBZAHS-FUNVUKJBSA-N 2 2 326.238 2.225 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629540284 469574003 /nfs/dbraw/zinc/57/40/03/469574003.db2.gz VJTHICIMYPTGRI-IHRRRGAJSA-N 2 2 335.448 2.151 10 0 EEAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000623254018 469597921 /nfs/dbraw/zinc/59/79/21/469597921.db2.gz ADHGSPGXPYVLTN-NVXWUHKLSA-N 2 2 344.846 2.242 10 0 EEAELP O=C(N[C@@H]1Cc2c[nH+]cn2C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000623254018 469597926 /nfs/dbraw/zinc/59/79/26/469597926.db2.gz ADHGSPGXPYVLTN-NVXWUHKLSA-N 2 2 344.846 2.242 10 0 EEAELP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623268722 469604137 /nfs/dbraw/zinc/60/41/37/469604137.db2.gz URCARZSVBIIBLJ-QGZVFWFLSA-N 2 2 326.444 2.470 10 0 EEAELP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1 ZINC000623268722 469604141 /nfs/dbraw/zinc/60/41/41/469604141.db2.gz URCARZSVBIIBLJ-QGZVFWFLSA-N 2 2 326.444 2.470 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1(C)C ZINC000623470741 469666614 /nfs/dbraw/zinc/66/66/14/469666614.db2.gz ZSHGIWMRBZLHSH-NWDGAFQWSA-N 2 2 347.467 2.404 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1(C)C ZINC000623470741 469666617 /nfs/dbraw/zinc/66/66/17/469666617.db2.gz ZSHGIWMRBZLHSH-NWDGAFQWSA-N 2 2 347.467 2.404 10 0 EEAELP CC(C)C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623477648 469668674 /nfs/dbraw/zinc/66/86/74/469668674.db2.gz NGNVRSPTHBOQQO-STQMWFEESA-N 2 2 347.467 2.404 10 0 EEAELP CC(C)C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2nc[nH]n2)no1 ZINC000623477648 469668678 /nfs/dbraw/zinc/66/86/78/469668678.db2.gz NGNVRSPTHBOQQO-STQMWFEESA-N 2 2 347.467 2.404 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000623486698 469672244 /nfs/dbraw/zinc/67/22/44/469672244.db2.gz DKJBAXZEOSKFHF-KRWDZBQOSA-N 2 2 333.480 2.370 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623486698 469672252 /nfs/dbraw/zinc/67/22/52/469672252.db2.gz DKJBAXZEOSKFHF-KRWDZBQOSA-N 2 2 333.480 2.370 10 0 EEAELP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000623876791 469786741 /nfs/dbraw/zinc/78/67/41/469786741.db2.gz FZKAONLCOMDZRG-PKOBYXMFSA-N 2 2 348.487 2.445 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000617761880 469794865 /nfs/dbraw/zinc/79/48/65/469794865.db2.gz BCNKMRVFGOZVGY-DLBZAZTESA-N 2 2 337.895 2.443 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000617761880 469794868 /nfs/dbraw/zinc/79/48/68/469794868.db2.gz BCNKMRVFGOZVGY-DLBZAZTESA-N 2 2 337.895 2.443 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000617766025 469797652 /nfs/dbraw/zinc/79/76/52/469797652.db2.gz ZQRQINSCQRLFSQ-UHFFFAOYSA-N 2 2 335.496 2.071 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(C2CCCCC2)n[nH]1 ZINC000617766025 469797654 /nfs/dbraw/zinc/79/76/54/469797654.db2.gz ZQRQINSCQRLFSQ-UHFFFAOYSA-N 2 2 335.496 2.071 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccn1Cc1ccccc1 ZINC000617768024 469799316 /nfs/dbraw/zinc/79/93/16/469799316.db2.gz MLGVUJPOVZQUEF-UHFFFAOYSA-N 2 2 342.487 2.150 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccn1Cc1ccccc1 ZINC000617768024 469799320 /nfs/dbraw/zinc/79/93/20/469799320.db2.gz MLGVUJPOVZQUEF-UHFFFAOYSA-N 2 2 342.487 2.150 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000627164773 469830695 /nfs/dbraw/zinc/83/06/95/469830695.db2.gz HPMHQXPFZMTUGH-YLXGYYMFSA-N 2 2 342.487 2.168 10 0 EEAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[N@@H+]1CC[C@@H](O)C1 ZINC000624227333 469880092 /nfs/dbraw/zinc/88/00/92/469880092.db2.gz NIHQWFBFHOFDLA-DZGCQCFKSA-N 2 2 328.403 2.265 10 0 EEAELP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC[N@H+]1CC[C@@H](O)C1 ZINC000624227333 469880095 /nfs/dbraw/zinc/88/00/95/469880095.db2.gz NIHQWFBFHOFDLA-DZGCQCFKSA-N 2 2 328.403 2.265 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CC[N@@H+]1C ZINC000630907371 470025272 /nfs/dbraw/zinc/02/52/72/470025272.db2.gz IXGLMXNXYJNQPF-NWDGAFQWSA-N 2 2 332.370 2.134 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CC[N@H+]1C ZINC000630907371 470025274 /nfs/dbraw/zinc/02/52/74/470025274.db2.gz IXGLMXNXYJNQPF-NWDGAFQWSA-N 2 2 332.370 2.134 10 0 EEAELP CC[NH+](CC)[C@H](C(=O)NC1CC([NH+]2CCOCC2)C1)c1ccccc1 ZINC000627932416 470028114 /nfs/dbraw/zinc/02/81/14/470028114.db2.gz SGSMIUHSCLXNFV-ACBHZAAOSA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000621499340 470056451 /nfs/dbraw/zinc/05/64/51/470056451.db2.gz XIEZCRDWLITPCP-HNNXBMFYSA-N 2 2 348.482 2.383 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H](C(F)F)C1CCCCC1 ZINC000621499340 470056453 /nfs/dbraw/zinc/05/64/53/470056453.db2.gz XIEZCRDWLITPCP-HNNXBMFYSA-N 2 2 348.482 2.383 10 0 EEAELP Cc1nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc(N)[nH+]1 ZINC000631205072 470092088 /nfs/dbraw/zinc/09/20/88/470092088.db2.gz WRQOBHQDPNMRII-IXDOHACOSA-N 2 2 338.459 2.475 10 0 EEAELP Cc1nc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc(N)[nH+]1 ZINC000631205072 470092091 /nfs/dbraw/zinc/09/20/91/470092091.db2.gz WRQOBHQDPNMRII-IXDOHACOSA-N 2 2 338.459 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000631205072 470092094 /nfs/dbraw/zinc/09/20/94/470092094.db2.gz WRQOBHQDPNMRII-IXDOHACOSA-N 2 2 338.459 2.475 10 0 EEAELP Cc1nc(N)nc(N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC000631205072 470092097 /nfs/dbraw/zinc/09/20/97/470092097.db2.gz WRQOBHQDPNMRII-IXDOHACOSA-N 2 2 338.459 2.475 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(OC(F)F)cc1 ZINC000631885438 470189296 /nfs/dbraw/zinc/18/92/96/470189296.db2.gz AFGYSANIJXVYTB-WFASDCNBSA-N 2 2 339.386 2.300 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(OC(F)F)cc1 ZINC000631885438 470189297 /nfs/dbraw/zinc/18/92/97/470189297.db2.gz AFGYSANIJXVYTB-WFASDCNBSA-N 2 2 339.386 2.300 10 0 EEAELP c1cc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc2c1OCO2 ZINC000631886526 470189457 /nfs/dbraw/zinc/18/94/57/470189457.db2.gz IHNQJEQZJNQNIE-KGLIPLIRSA-N 2 2 342.399 2.039 10 0 EEAELP c1cc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc2c1OCO2 ZINC000631886526 470189458 /nfs/dbraw/zinc/18/94/58/470189458.db2.gz IHNQJEQZJNQNIE-KGLIPLIRSA-N 2 2 342.399 2.039 10 0 EEAELP CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000632216670 470208345 /nfs/dbraw/zinc/20/83/45/470208345.db2.gz KYPWWXPNBVXHQL-HZPDHXFCSA-N 2 2 326.444 2.356 10 0 EEAELP CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]1C ZINC000632216670 470208346 /nfs/dbraw/zinc/20/83/46/470208346.db2.gz KYPWWXPNBVXHQL-HZPDHXFCSA-N 2 2 326.444 2.356 10 0 EEAELP C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000634704386 470282218 /nfs/dbraw/zinc/28/22/18/470282218.db2.gz KFOZLYUFWGKQKL-ZCNNSNEGSA-N 2 2 332.488 2.153 10 0 EEAELP C[C@](O)(C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000634704386 470282219 /nfs/dbraw/zinc/28/22/19/470282219.db2.gz KFOZLYUFWGKQKL-ZCNNSNEGSA-N 2 2 332.488 2.153 10 0 EEAELP [NH3+]CC1(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)CCCCC1 ZINC000632904069 470285096 /nfs/dbraw/zinc/28/50/96/470285096.db2.gz KWJJHETWKQNKLR-UHFFFAOYSA-N 2 2 346.475 2.302 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000648884520 470380854 /nfs/dbraw/zinc/38/08/54/470380854.db2.gz JTIZONXWGXUWKS-GOEBONIOSA-N 2 2 328.416 2.472 10 0 EEAELP C[C@@H](CC[NH2+][C@H]1CCCS(=O)(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000634966199 470385751 /nfs/dbraw/zinc/38/57/51/470385751.db2.gz FQDGMNJXIGVDKC-WMZOPIPTSA-N 2 2 338.517 2.454 10 0 EEAELP C[C@@H](CC[NH2+][C@H]1CCCS(=O)(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000634966199 470385758 /nfs/dbraw/zinc/38/57/58/470385758.db2.gz FQDGMNJXIGVDKC-WMZOPIPTSA-N 2 2 338.517 2.454 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000635254136 470499964 /nfs/dbraw/zinc/49/99/64/470499964.db2.gz CPWCZSJELGJIJE-KZNAEPCWSA-N 2 2 338.455 2.466 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000635254136 470499969 /nfs/dbraw/zinc/49/99/69/470499969.db2.gz CPWCZSJELGJIJE-KZNAEPCWSA-N 2 2 338.455 2.466 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000635254136 470499974 /nfs/dbraw/zinc/49/99/74/470499974.db2.gz CPWCZSJELGJIJE-KZNAEPCWSA-N 2 2 338.455 2.466 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000635254136 470499978 /nfs/dbraw/zinc/49/99/78/470499978.db2.gz CPWCZSJELGJIJE-KZNAEPCWSA-N 2 2 338.455 2.466 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)CC1 ZINC000635455910 470595684 /nfs/dbraw/zinc/59/56/84/470595684.db2.gz JNTOLKWVDDLHBX-GVDBMIGSSA-N 2 2 330.476 2.484 10 0 EEAELP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)CC1 ZINC000635455910 470595689 /nfs/dbraw/zinc/59/56/89/470595689.db2.gz JNTOLKWVDDLHBX-GVDBMIGSSA-N 2 2 330.476 2.484 10 0 EEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899690 471010328 /nfs/dbraw/zinc/01/03/28/471010328.db2.gz SQKNQUFRFFAIAS-IJEWVQPXSA-N 2 2 345.443 2.206 10 0 EEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899690 471010330 /nfs/dbraw/zinc/01/03/30/471010330.db2.gz SQKNQUFRFFAIAS-IJEWVQPXSA-N 2 2 345.443 2.206 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899376 471010364 /nfs/dbraw/zinc/01/03/64/471010364.db2.gz IWTSZVAAWCHLOW-RDJZCZTQSA-N 2 2 335.879 2.420 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCc1cccc(Cl)c1 ZINC000647899376 471010366 /nfs/dbraw/zinc/01/03/66/471010366.db2.gz IWTSZVAAWCHLOW-RDJZCZTQSA-N 2 2 335.879 2.420 10 0 EEAELP C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651111325 471054120 /nfs/dbraw/zinc/05/41/20/471054120.db2.gz AZIUYUOBWLYMHR-MRXNPFEDSA-N 2 2 332.492 2.390 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC000651111325 471054124 /nfs/dbraw/zinc/05/41/24/471054124.db2.gz AZIUYUOBWLYMHR-MRXNPFEDSA-N 2 2 332.492 2.390 10 0 EEAELP c1c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)nnn1C1CCC1 ZINC000657315121 471096917 /nfs/dbraw/zinc/09/69/17/471096917.db2.gz LIGYUXFEKVUDFM-UHFFFAOYSA-N 2 2 341.459 2.125 10 0 EEAELP C[C@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649274 471111991 /nfs/dbraw/zinc/11/19/91/471111991.db2.gz AXKKATSEDCQGQI-WCVJEAGWSA-N 2 2 349.479 2.144 10 0 EEAELP C[C@H](CNC(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000654649274 471111995 /nfs/dbraw/zinc/11/19/95/471111995.db2.gz AXKKATSEDCQGQI-WCVJEAGWSA-N 2 2 349.479 2.144 10 0 EEAELP c1cn(Cc2ccccc2)c(Cn2cc(C[C@@H]3CCC[NH2+]C3)nn2)[nH+]1 ZINC000640942482 471131659 /nfs/dbraw/zinc/13/16/59/471131659.db2.gz JLLWMAZRPJXPEB-KRWDZBQOSA-N 2 2 336.443 2.113 10 0 EEAELP C[C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1n1cc[nH+]c1 ZINC000651495044 471188687 /nfs/dbraw/zinc/18/86/87/471188687.db2.gz YRPHITVJUXXQDT-HOCLYGCPSA-N 2 2 327.432 2.068 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000658340849 471290159 /nfs/dbraw/zinc/29/01/59/471290159.db2.gz FCNLINUQSZUVSZ-AQNXPRMDSA-N 2 2 331.504 2.207 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000658340849 471290161 /nfs/dbraw/zinc/29/01/61/471290161.db2.gz FCNLINUQSZUVSZ-AQNXPRMDSA-N 2 2 331.504 2.207 10 0 EEAELP COC1CCC([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658342232 471290466 /nfs/dbraw/zinc/29/04/66/471290466.db2.gz MIAVENYMDDWFRF-IOJLRTSASA-N 2 2 331.504 2.350 10 0 EEAELP COC1CCC([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000658342232 471290468 /nfs/dbraw/zinc/29/04/68/471290468.db2.gz MIAVENYMDDWFRF-IOJLRTSASA-N 2 2 331.504 2.350 10 0 EEAELP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341959 471290507 /nfs/dbraw/zinc/29/05/07/471290507.db2.gz LDYHZWRPJRDNHZ-LPHOPBHVSA-N 2 2 339.487 2.252 10 0 EEAELP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341959 471290512 /nfs/dbraw/zinc/29/05/12/471290512.db2.gz LDYHZWRPJRDNHZ-LPHOPBHVSA-N 2 2 339.487 2.252 10 0 EEAELP Cc1cc(NC(=O)N[C@H](C)c2[nH+]ccn2C)n(C2CC[NH+](C)CC2)n1 ZINC000666282413 471338405 /nfs/dbraw/zinc/33/84/05/471338405.db2.gz ILGIHQZNPQUQQB-CYBMUJFWSA-N 2 2 345.451 2.074 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1scnc1C1CC1 ZINC000666471637 471413412 /nfs/dbraw/zinc/41/34/12/471413412.db2.gz OYVMWENMTULESO-UHFFFAOYSA-N 2 2 325.482 2.026 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1scnc1C1CC1 ZINC000666471637 471413418 /nfs/dbraw/zinc/41/34/18/471413418.db2.gz OYVMWENMTULESO-UHFFFAOYSA-N 2 2 325.482 2.026 10 0 EEAELP Cc1ccccc1C1(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000663930954 471580894 /nfs/dbraw/zinc/58/08/94/471580894.db2.gz GEXLUFBQHKTETK-UHFFFAOYSA-N 2 2 346.519 2.209 10 0 EEAELP Cc1ccccc1C1(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000663930954 471580898 /nfs/dbraw/zinc/58/08/98/471580898.db2.gz GEXLUFBQHKTETK-UHFFFAOYSA-N 2 2 346.519 2.209 10 0 EEAELP CN(CC(C)(C)[NH3+])C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000659486114 471652229 /nfs/dbraw/zinc/65/22/29/471652229.db2.gz RRFYBPQAOUSLQN-UHFFFAOYSA-N 2 2 338.883 2.077 10 0 EEAELP CN(CC(C)(C)[NH3+])C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000659486114 471652237 /nfs/dbraw/zinc/65/22/37/471652237.db2.gz RRFYBPQAOUSLQN-UHFFFAOYSA-N 2 2 338.883 2.077 10 0 EEAELP C[C@@H](NC(=O)Nc1cc[nH+]cc1N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000670079207 471671649 /nfs/dbraw/zinc/67/16/49/471671649.db2.gz BIXCWNYRGIHDCI-CABCVRRESA-N 2 2 345.491 2.344 10 0 EEAELP C[C@@H](NC(=O)Nc1cc[nH+]cc1N(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000670079207 471671652 /nfs/dbraw/zinc/67/16/52/471671652.db2.gz BIXCWNYRGIHDCI-CABCVRRESA-N 2 2 345.491 2.344 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000670080107 471672116 /nfs/dbraw/zinc/67/21/16/471672116.db2.gz RKRZSAHHOYVRAD-UHFFFAOYSA-N 2 2 345.422 2.092 10 0 EEAELP CCOc1ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000667250176 471709384 /nfs/dbraw/zinc/70/93/84/471709384.db2.gz IYKARKVJMJBBMH-UHFFFAOYSA-N 2 2 340.443 2.229 10 0 EEAELP CCOc1ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000667250176 471709389 /nfs/dbraw/zinc/70/93/89/471709389.db2.gz IYKARKVJMJBBMH-UHFFFAOYSA-N 2 2 340.443 2.229 10 0 EEAELP C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664549612 471791318 /nfs/dbraw/zinc/79/13/18/471791318.db2.gz KAGLLDRKWMVRFY-APWZRJJASA-N 2 2 346.519 2.493 10 0 EEAELP C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664549612 471791324 /nfs/dbraw/zinc/79/13/24/471791324.db2.gz KAGLLDRKWMVRFY-APWZRJJASA-N 2 2 346.519 2.493 10 0 EEAELP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)n1C ZINC000667517000 471805912 /nfs/dbraw/zinc/80/59/12/471805912.db2.gz OVDGXHNZICVHFN-OAHLLOKOSA-N 2 2 327.432 2.283 10 0 EEAELP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)n1C ZINC000667517000 471805918 /nfs/dbraw/zinc/80/59/18/471805918.db2.gz OVDGXHNZICVHFN-OAHLLOKOSA-N 2 2 327.432 2.283 10 0 EEAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000667810473 471915641 /nfs/dbraw/zinc/91/56/41/471915641.db2.gz MHXXLOHKUSUQCI-ICSRJNTNSA-N 2 2 346.471 2.055 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+][C@@H]3CO[C@H](C4CC4)C3)c2cc1C ZINC000667865831 471931200 /nfs/dbraw/zinc/93/12/00/471931200.db2.gz KHZFOPMUCPHPFS-FCEWJHQRSA-N 2 2 329.444 2.171 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000660297646 471933096 /nfs/dbraw/zinc/93/30/96/471933096.db2.gz OKPJVOJLDOVYMR-MRXNPFEDSA-N 2 2 345.491 2.354 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000660297646 471933099 /nfs/dbraw/zinc/93/30/99/471933099.db2.gz OKPJVOJLDOVYMR-MRXNPFEDSA-N 2 2 345.491 2.354 10 0 EEAELP c1c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nnn1C1CCC1 ZINC000667959423 471963887 /nfs/dbraw/zinc/96/38/87/471963887.db2.gz NWDKBPGEINVTHL-UHFFFAOYSA-N 2 2 347.507 2.328 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000657092215 471965984 /nfs/dbraw/zinc/96/59/84/471965984.db2.gz ILJGVRWWGMQYCM-UHFFFAOYSA-N 2 2 349.500 2.002 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000657092215 471965987 /nfs/dbraw/zinc/96/59/87/471965987.db2.gz ILJGVRWWGMQYCM-UHFFFAOYSA-N 2 2 349.500 2.002 10 0 EEAELP C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000665363835 472021643 /nfs/dbraw/zinc/02/16/43/472021643.db2.gz CVTDIZQHOWQYGO-BZUAXINKSA-N 2 2 333.480 2.348 10 0 EEAELP C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C[C@H]1n1cc[nH+]c1 ZINC000665363835 472021645 /nfs/dbraw/zinc/02/16/45/472021645.db2.gz CVTDIZQHOWQYGO-BZUAXINKSA-N 2 2 333.480 2.348 10 0 EEAELP Clc1ccc(O[C@H]2CC[N@H+](C[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000662259207 472045954 /nfs/dbraw/zinc/04/59/54/472045954.db2.gz RXDCHSOUDSCGKR-QWHCGFSZSA-N 2 2 331.243 2.435 10 0 EEAELP Clc1ccc(O[C@H]2CC[N@@H+](C[C@H]3C[NH2+]CCO3)C2)cc1Cl ZINC000662259207 472045958 /nfs/dbraw/zinc/04/59/58/472045958.db2.gz RXDCHSOUDSCGKR-QWHCGFSZSA-N 2 2 331.243 2.435 10 0 EEAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318890 472067407 /nfs/dbraw/zinc/06/74/07/472067407.db2.gz AJIBBNVVGKBWBA-FGTMMUONSA-N 2 2 339.524 2.066 10 0 EEAELP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318890 472067413 /nfs/dbraw/zinc/06/74/13/472067413.db2.gz AJIBBNVVGKBWBA-FGTMMUONSA-N 2 2 339.524 2.066 10 0 EEAELP C[NH2+][C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662400912 472097985 /nfs/dbraw/zinc/09/79/85/472097985.db2.gz IRZNWYNRGSWXIG-YGRLFVJLSA-N 2 2 330.259 2.464 10 0 EEAELP C[NH2+][C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662400912 472097990 /nfs/dbraw/zinc/09/79/90/472097990.db2.gz IRZNWYNRGSWXIG-YGRLFVJLSA-N 2 2 330.259 2.464 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000668574565 472181869 /nfs/dbraw/zinc/18/18/69/472181869.db2.gz XJBOFRNHZKGKSY-ZDUSSCGKSA-N 2 2 337.414 2.140 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000668574565 472181873 /nfs/dbraw/zinc/18/18/73/472181873.db2.gz XJBOFRNHZKGKSY-ZDUSSCGKSA-N 2 2 337.414 2.140 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000668587257 472185433 /nfs/dbraw/zinc/18/54/33/472185433.db2.gz LDVPNOZPCGPDSU-HNNXBMFYSA-N 2 2 341.455 2.279 10 0 EEAELP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000668587257 472185442 /nfs/dbraw/zinc/18/54/42/472185442.db2.gz LDVPNOZPCGPDSU-HNNXBMFYSA-N 2 2 341.455 2.279 10 0 EEAELP C[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[N@@H+]1CCc2sccc2C1 ZINC000662684853 472204938 /nfs/dbraw/zinc/20/49/38/472204938.db2.gz KKDWKKSVNUSKBN-NSHDSACASA-N 2 2 348.472 2.107 10 0 EEAELP C[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[N@H+]1CCc2sccc2C1 ZINC000662684853 472204946 /nfs/dbraw/zinc/20/49/46/472204946.db2.gz KKDWKKSVNUSKBN-NSHDSACASA-N 2 2 348.472 2.107 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000668740201 472248673 /nfs/dbraw/zinc/24/86/73/472248673.db2.gz GOXXTGOJTRBNGM-GOSISDBHSA-N 2 2 326.444 2.108 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C1 ZINC000668740201 472248682 /nfs/dbraw/zinc/24/86/82/472248682.db2.gz GOXXTGOJTRBNGM-GOSISDBHSA-N 2 2 326.444 2.108 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000644667208 485498487 /nfs/dbraw/zinc/49/84/87/485498487.db2.gz UPDDSNGYQXLIAN-UHFFFAOYSA-N 2 2 349.500 2.324 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC(n2cc[nH+]c2)CC1 ZINC000673863661 485558924 /nfs/dbraw/zinc/55/89/24/485558924.db2.gz KAKVZZJXAHETOD-UHFFFAOYSA-N 2 2 337.387 2.333 10 0 EEAELP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000660655853 485590051 /nfs/dbraw/zinc/59/00/51/485590051.db2.gz QJSMUGYGZDGAPM-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000660655853 485590058 /nfs/dbraw/zinc/59/00/58/485590058.db2.gz QJSMUGYGZDGAPM-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(F)cc1 ZINC000660655853 485590065 /nfs/dbraw/zinc/59/00/65/485590065.db2.gz QJSMUGYGZDGAPM-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP C[C@@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(F)cc1 ZINC000660655853 485590069 /nfs/dbraw/zinc/59/00/69/485590069.db2.gz QJSMUGYGZDGAPM-BEFAXECRSA-N 2 2 333.451 2.421 10 0 EEAELP CCc1ccc([C@H](C[NH+]2CCOCC2)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000629543263 485730361 /nfs/dbraw/zinc/73/03/61/485730361.db2.gz XIXIXYSGWUDJLS-UXPWSPDFSA-N 2 2 331.504 2.352 10 0 EEAELP CN(CCC[NH+](C)C)C(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000680510226 485990144 /nfs/dbraw/zinc/99/01/44/485990144.db2.gz JQKNDXKFDOAOPS-KRWDZBQOSA-N 2 2 343.475 2.297 10 0 EEAELP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(OC)c1 ZINC000675885818 486089310 /nfs/dbraw/zinc/08/93/10/486089310.db2.gz HQUNQXWFPARRGZ-ICSRJNTNSA-N 2 2 347.503 2.142 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613540 486160763 /nfs/dbraw/zinc/16/07/63/486160763.db2.gz JJGAEIYCGNJNTE-MSOLQXFVSA-N 2 2 348.878 2.276 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613540 486160770 /nfs/dbraw/zinc/16/07/70/486160770.db2.gz JJGAEIYCGNJNTE-MSOLQXFVSA-N 2 2 348.878 2.276 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613540 486160777 /nfs/dbraw/zinc/16/07/77/486160777.db2.gz JJGAEIYCGNJNTE-MSOLQXFVSA-N 2 2 348.878 2.276 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000685613540 486160782 /nfs/dbraw/zinc/16/07/82/486160782.db2.gz JJGAEIYCGNJNTE-MSOLQXFVSA-N 2 2 348.878 2.276 10 0 EEAELP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cc[nH+]cc2N(C)C)CC1 ZINC000681358252 486219879 /nfs/dbraw/zinc/21/98/79/486219879.db2.gz WAPOBVWSUNIHJO-UHFFFAOYSA-N 2 2 339.443 2.128 10 0 EEAELP CC(C)[C@]1(C)C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000459310641 535301015 /nfs/dbraw/zinc/30/10/15/535301015.db2.gz VYQXQGKTNRYZGT-BISRIHTFSA-N 2 2 348.535 2.373 10 0 EEAELP CC(C)[C@]1(C)C[C@H]1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000459310641 535301018 /nfs/dbraw/zinc/30/10/18/535301018.db2.gz VYQXQGKTNRYZGT-BISRIHTFSA-N 2 2 348.535 2.373 10 0 EEAELP Cn1ccc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000775334378 577435157 /nfs/dbraw/zinc/43/51/57/577435157.db2.gz WEJGMOUHQKNRCB-UHFFFAOYSA-N 2 2 327.432 2.453 10 0 EEAELP Cn1ncc2c1nc(NC1CCC([NH+]3CCCCC3)CC1)[nH+]c2N ZINC000767257482 577533272 /nfs/dbraw/zinc/53/32/72/577533272.db2.gz DFBUPOHUNXRMFQ-UHFFFAOYSA-N 2 2 329.452 2.155 10 0 EEAELP CC1=NO[C@H](C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC000895299214 684463459 /nfs/dbraw/zinc/46/34/59/684463459.db2.gz CQJSQSIZORJEFL-ZDUSSCGKSA-N 2 2 341.358 2.324 10 0 EEAELP O=C1N(CC[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)C[C@H]2CCCCN12 ZINC000895340921 684516184 /nfs/dbraw/zinc/51/61/84/684516184.db2.gz CQEZQBKUXXCHRP-CQSZACIVSA-N 2 2 345.472 2.314 10 0 EEAELP CC(C)COCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001485689660 1191891898 /nfs/dbraw/zinc/89/18/98/1191891898.db2.gz SREFHWRTVDIXAS-WKILWMFISA-N 2 2 344.459 2.105 10 0 EEAELP CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266519976 1176721748 /nfs/dbraw/zinc/72/17/48/1176721748.db2.gz COHCBBSKRPXSNH-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP CCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001266519976 1176721759 /nfs/dbraw/zinc/72/17/59/1176721759.db2.gz COHCBBSKRPXSNH-DLBZAZTESA-N 2 2 332.492 2.464 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001266685322 1177196522 /nfs/dbraw/zinc/19/65/22/1177196522.db2.gz DBGXJAZLAMYSKJ-ABJJFXKESA-N 2 2 345.491 2.383 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001266685322 1177196527 /nfs/dbraw/zinc/19/65/27/1177196527.db2.gz DBGXJAZLAMYSKJ-ABJJFXKESA-N 2 2 345.491 2.383 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691142621 1177633028 /nfs/dbraw/zinc/63/30/28/1177633028.db2.gz AXHSUKFKNGQAFV-INIZCTEOSA-N 2 2 344.459 2.121 10 0 EEAELP COCCCC[N@H+]1CC[C@@H](CNC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001691142621 1177633032 /nfs/dbraw/zinc/63/30/32/1177633032.db2.gz AXHSUKFKNGQAFV-INIZCTEOSA-N 2 2 344.459 2.121 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc2ccccc2s1 ZINC001266996077 1178054628 /nfs/dbraw/zinc/05/46/28/1178054628.db2.gz MOSFBPFOYHDADA-ZDUSSCGKSA-N 2 2 328.441 2.392 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CC/C=C\c2ccccc2)C1 ZINC001267059417 1178169535 /nfs/dbraw/zinc/16/95/35/1178169535.db2.gz WPYDHTOQCPDTGC-MSEQUDFZSA-N 2 2 338.455 2.494 10 0 EEAELP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001267419772 1178985518 /nfs/dbraw/zinc/98/55/18/1178985518.db2.gz QBLKUHVMMQVOMB-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001267419772 1178985520 /nfs/dbraw/zinc/98/55/20/1178985520.db2.gz QBLKUHVMMQVOMB-QGZVFWFLSA-N 2 2 339.524 2.114 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)CCc2c[nH+]cn2C)cc1C ZINC001267461894 1179056223 /nfs/dbraw/zinc/05/62/23/1179056223.db2.gz CQWSZILSXVKOCF-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC001267534653 1179290323 /nfs/dbraw/zinc/29/03/23/1179290323.db2.gz ADSOFTGTSFTXRK-CALCHBBNSA-N 2 2 336.455 2.168 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001267534653 1179290326 /nfs/dbraw/zinc/29/03/26/1179290326.db2.gz ADSOFTGTSFTXRK-CALCHBBNSA-N 2 2 336.455 2.168 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267749748 1180402775 /nfs/dbraw/zinc/40/27/75/1180402775.db2.gz SONIGJKEVVBHDM-VMIJOWMCSA-N 2 2 330.476 2.461 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001267749748 1180402779 /nfs/dbraw/zinc/40/27/79/1180402779.db2.gz SONIGJKEVVBHDM-VMIJOWMCSA-N 2 2 330.476 2.461 10 0 EEAELP Cc1ncsc1C[NH2+]CCN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001481245926 1180436000 /nfs/dbraw/zinc/43/60/00/1180436000.db2.gz JITUBOWTYWZGOD-UHFFFAOYSA-N 2 2 329.429 2.190 10 0 EEAELP C[C@@H](CC[NH2+]CC=C(Cl)Cl)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268377164 1182393513 /nfs/dbraw/zinc/39/35/13/1182393513.db2.gz HJHUSDUAIOIAKO-RYUDHWBXSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)oc1C ZINC001268407078 1182521988 /nfs/dbraw/zinc/52/19/88/1182521988.db2.gz RPJACIYHAIJZEY-CYBMUJFWSA-N 2 2 347.463 2.296 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccncc1Cl)NC(=O)CCc1c[nH+]cn1C ZINC001268422166 1182587767 /nfs/dbraw/zinc/58/77/67/1182587767.db2.gz YJZPZEMHOJEGRX-CYBMUJFWSA-N 2 2 349.866 2.086 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC001481775228 1182671012 /nfs/dbraw/zinc/67/10/12/1182671012.db2.gz LPTKAZKJRUFIFT-PBHICJAKSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC001481775228 1182671017 /nfs/dbraw/zinc/67/10/17/1182671017.db2.gz LPTKAZKJRUFIFT-PBHICJAKSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)CCc1[nH+]ccn1C ZINC001268467426 1182793032 /nfs/dbraw/zinc/79/30/32/1182793032.db2.gz DPXKSXQTNXJDIG-UHFFFAOYSA-N 2 2 328.460 2.299 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001481885896 1182888363 /nfs/dbraw/zinc/88/83/63/1182888363.db2.gz XHMQLKQZIWNCKI-JSGCOSHPSA-N 2 2 336.386 2.407 10 0 EEAELP O=C(NC/C=C/C[NH2+]CCc1ccccc1F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268552186 1183238668 /nfs/dbraw/zinc/23/86/68/1183238668.db2.gz KIABRIATUCDHFB-OBMMGQTPSA-N 2 2 342.418 2.157 10 0 EEAELP O=C(NC/C=C/C[NH2+]CCc1ccccc1F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268552186 1183238672 /nfs/dbraw/zinc/23/86/72/1183238672.db2.gz KIABRIATUCDHFB-OBMMGQTPSA-N 2 2 342.418 2.157 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]CCc1cccs1 ZINC001482117613 1183350937 /nfs/dbraw/zinc/35/09/37/1183350937.db2.gz XCEXRCYLIDKJNO-CABCVRRESA-N 2 2 346.500 2.092 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001268620437 1183537926 /nfs/dbraw/zinc/53/79/26/1183537926.db2.gz WXIHIVQXPCPKRE-JDGPPOGSSA-N 2 2 345.274 2.107 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCCc2ccc(C)cc2)CC1 ZINC001269526637 1184351051 /nfs/dbraw/zinc/35/10/51/1184351051.db2.gz SINABSOMJXXCIV-UHFFFAOYSA-N 2 2 340.471 2.440 10 0 EEAELP COCCC[NH+]1CCC(CCNC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001270124399 1184867233 /nfs/dbraw/zinc/86/72/33/1184867233.db2.gz BDLBCGGFPNSBBM-UHFFFAOYSA-N 2 2 344.459 2.203 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001482301947 1185215532 /nfs/dbraw/zinc/21/55/32/1185215532.db2.gz XNIIWMGKIMAJBE-BBRMVZONSA-N 2 2 346.500 2.452 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482335061 1185425957 /nfs/dbraw/zinc/42/59/57/1185425957.db2.gz GNROLWOTBUSOHQ-ZDUSSCGKSA-N 2 2 334.851 2.285 10 0 EEAELP CC(C)C[C@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)Cn1cc[nH+]c1 ZINC001482400611 1185614309 /nfs/dbraw/zinc/61/43/09/1185614309.db2.gz OSASQDKFJIRXJC-HUUCEWRRSA-N 2 2 342.434 2.439 10 0 EEAELP C[C@@H](C[NH2+]CCC[C@H]1CCOC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001271037097 1185831781 /nfs/dbraw/zinc/83/17/81/1185831781.db2.gz ZITZQACYCIKUOO-HOTGVXAUSA-N 2 2 344.459 2.201 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001691529185 1186805066 /nfs/dbraw/zinc/80/50/66/1186805066.db2.gz XEGPDLLMGDGAHM-UHFFFAOYSA-N 2 2 334.851 2.286 10 0 EEAELP Cc1cnc([C@H](C)[N@H+](C)CCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)o1 ZINC001482603551 1187351643 /nfs/dbraw/zinc/35/16/43/1187351643.db2.gz JLMHJLGGRACRCJ-HOTGVXAUSA-N 2 2 336.480 2.309 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+](C)CCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)o1 ZINC001482603551 1187351646 /nfs/dbraw/zinc/35/16/46/1187351646.db2.gz JLMHJLGGRACRCJ-HOTGVXAUSA-N 2 2 336.480 2.309 10 0 EEAELP Cc1cnc([C@H](C)[NH+](C)CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)o1 ZINC001482603551 1187351648 /nfs/dbraw/zinc/35/16/48/1187351648.db2.gz JLMHJLGGRACRCJ-HOTGVXAUSA-N 2 2 336.480 2.309 10 0 EEAELP Cc1cnc([C@H](C)[NH+](C)CCN(C)C(=O)CC[C@@H]2CCC[N@H+]2C)o1 ZINC001482603551 1187351653 /nfs/dbraw/zinc/35/16/53/1187351653.db2.gz JLMHJLGGRACRCJ-HOTGVXAUSA-N 2 2 336.480 2.309 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001482690922 1187665228 /nfs/dbraw/zinc/66/52/28/1187665228.db2.gz ATHSSJGICXHIPG-SJORKVTESA-N 2 2 326.444 2.069 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001482839699 1187759203 /nfs/dbraw/zinc/75/92/03/1187759203.db2.gz MBDJSVSWKHRSQB-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001482839699 1187759206 /nfs/dbraw/zinc/75/92/06/1187759206.db2.gz MBDJSVSWKHRSQB-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP CCN(CC[NH2+][C@@H]1CCc2ccccc21)C(=O)Cc1[nH]c[nH+]c1C ZINC001482966272 1187902878 /nfs/dbraw/zinc/90/28/78/1187902878.db2.gz XHANUJCYLYUWRK-QGZVFWFLSA-N 2 2 326.444 2.386 10 0 EEAELP Cc1nc(C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]2CCCCCC2)co1 ZINC001483069609 1188416946 /nfs/dbraw/zinc/41/69/46/1188416946.db2.gz OBNSICGOZGITLW-NFAHFFEMSA-N 2 2 334.464 2.010 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001272822884 1193561983 /nfs/dbraw/zinc/56/19/83/1193561983.db2.gz IJYUQUVETISQPB-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001272822884 1193561985 /nfs/dbraw/zinc/56/19/85/1193561985.db2.gz IJYUQUVETISQPB-GFCCVEGCSA-N 2 2 335.839 2.075 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001483077188 1188437298 /nfs/dbraw/zinc/43/72/98/1188437298.db2.gz HUCLYOSKSTWYKP-FYDYADQUSA-N 2 2 326.391 2.040 10 0 EEAELP CCc1cnc(C[NH2+]CC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001272866365 1193583846 /nfs/dbraw/zinc/58/38/46/1193583846.db2.gz WATDMZOBWSWBMA-GFCCVEGCSA-N 2 2 341.415 2.412 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)CCc1[nH+]ccn1C ZINC001483151597 1188882682 /nfs/dbraw/zinc/88/26/82/1188882682.db2.gz NSEDQPDKAWGQMJ-ZIAGYGMSSA-N 2 2 342.434 2.273 10 0 EEAELP C[C@@H]([NH2+]CCc1ccccc1F)[C@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001409345098 1189555585 /nfs/dbraw/zinc/55/55/85/1189555585.db2.gz AYNLGZKCXDLNKG-CABCVRRESA-N 2 2 346.450 2.217 10 0 EEAELP C[C@H](NC(=O)CCc1[nH+]ccn1C)[C@H](C)[NH2+]Cc1ccccc1F ZINC001409346805 1189557611 /nfs/dbraw/zinc/55/76/11/1189557611.db2.gz CDCLSMJSAIDTAX-KBPBESRZSA-N 2 2 332.423 2.175 10 0 EEAELP C[C@@H](NC(=O)c1cccc2[nH+]ccn21)[C@@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001409362804 1189581688 /nfs/dbraw/zinc/58/16/88/1189581688.db2.gz HOVYRCZZXUITHW-VXGBXAGGSA-N 2 2 336.386 2.476 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)n1 ZINC001409449774 1189697455 /nfs/dbraw/zinc/69/74/55/1189697455.db2.gz DOMINGICMQCCHM-HUUCEWRRSA-N 2 2 329.448 2.085 10 0 EEAELP [NH3+][C@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[C@@H]1C(F)(F)F ZINC000905717928 1189885536 /nfs/dbraw/zinc/88/55/36/1189885536.db2.gz LQJBKTBAPSQMKT-RYUDHWBXSA-N 2 2 329.370 2.183 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1sccc1Cl ZINC001485963820 1193655721 /nfs/dbraw/zinc/65/57/21/1193655721.db2.gz SHVNESPSTSEAMJ-LLVKDONJSA-N 2 2 326.853 2.235 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)Cc1cc(C2CC2)no1 ZINC001409602044 1190091845 /nfs/dbraw/zinc/09/18/45/1190091845.db2.gz XYSLLTUZPDGDEX-CQSZACIVSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@@H+](C)Cc1cc(C2CC2)no1 ZINC001409602044 1190091850 /nfs/dbraw/zinc/09/18/50/1190091850.db2.gz XYSLLTUZPDGDEX-CQSZACIVSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)o1 ZINC001409693612 1190203143 /nfs/dbraw/zinc/20/31/43/1190203143.db2.gz RNUGTKWSKZRVLN-CQSZACIVSA-N 2 2 336.480 2.104 10 0 EEAELP Cc1nc(C[N@H+](C)[C@H](C)CNC(=O)CC[NH+]2CCCCC2)c(C)o1 ZINC001409693612 1190203145 /nfs/dbraw/zinc/20/31/45/1190203145.db2.gz RNUGTKWSKZRVLN-CQSZACIVSA-N 2 2 336.480 2.104 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1 ZINC001409767057 1190258986 /nfs/dbraw/zinc/25/89/86/1190258986.db2.gz YTNIQXQUFZSQMX-KRWDZBQOSA-N 2 2 348.491 2.109 10 0 EEAELP COCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001486108002 1193684710 /nfs/dbraw/zinc/68/47/10/1193684710.db2.gz GJYPSJRUCZBQQD-YOEHRIQHSA-N 2 2 344.459 2.262 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483660974 1190722949 /nfs/dbraw/zinc/72/29/49/1190722949.db2.gz GAJFNNHCSBEEFV-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483660974 1190722951 /nfs/dbraw/zinc/72/29/51/1190722951.db2.gz GAJFNNHCSBEEFV-OSNZYPHYSA-N 2 2 330.476 2.382 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001483670700 1190730295 /nfs/dbraw/zinc/73/02/95/1190730295.db2.gz QFCJZBDNCSCRBT-KRWDZBQOSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCC1 ZINC001483670700 1190730297 /nfs/dbraw/zinc/73/02/97/1190730297.db2.gz QFCJZBDNCSCRBT-KRWDZBQOSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)C[C@H](C(=O)N(C)C1C[NH+](C[C@H]2CCCOC2)C1)n1cc[nH+]c1 ZINC001483867786 1191098654 /nfs/dbraw/zinc/09/86/54/1191098654.db2.gz KAYJCZCYUHHUHS-SJLPKXTDSA-N 2 2 348.491 2.040 10 0 EEAELP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001483892577 1191112094 /nfs/dbraw/zinc/11/20/94/1191112094.db2.gz NBRAHCWCLLLKSG-OALUTQOASA-N 2 2 345.487 2.001 10 0 EEAELP Cc1nc(C[NH2+]C[C@@]2(C)CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)co1 ZINC001484122311 1191222050 /nfs/dbraw/zinc/22/20/50/1191222050.db2.gz QYNFTQQGJPUEHB-GOSISDBHSA-N 2 2 345.447 2.012 10 0 EEAELP C[C@H](CC(=O)N1CC[C@@H](CC[NH2+]Cc2cncs2)C1)n1cc[nH+]c1 ZINC001484541361 1191406467 /nfs/dbraw/zinc/40/64/67/1191406467.db2.gz LDTFZWCSFZEGIB-HUUCEWRRSA-N 2 2 347.488 2.319 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@@H+]1CC1CCCC1 ZINC001484602433 1191435026 /nfs/dbraw/zinc/43/50/26/1191435026.db2.gz AXHMESADYOATQQ-KRWDZBQOSA-N 2 2 348.491 2.014 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1COCC[N@H+]1CC1CCCC1 ZINC001484602433 1191435029 /nfs/dbraw/zinc/43/50/29/1191435029.db2.gz AXHMESADYOATQQ-KRWDZBQOSA-N 2 2 348.491 2.014 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NC[C@H]1COCC[NH+]1CC(C)C)c1ccccc1 ZINC001484611284 1191442053 /nfs/dbraw/zinc/44/20/53/1191442053.db2.gz YQTGQPFKLRXCQK-OALUTQOASA-N 2 2 347.503 2.152 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1COCC[NH+]1CC(C)C)c1ccccc1 ZINC001484611284 1191442055 /nfs/dbraw/zinc/44/20/55/1191442055.db2.gz YQTGQPFKLRXCQK-OALUTQOASA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NC[C@H]1COCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001484611284 1191442056 /nfs/dbraw/zinc/44/20/56/1191442056.db2.gz YQTGQPFKLRXCQK-OALUTQOASA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NC[C@H]1COCC[N@H+]1CC(C)C)c1ccccc1 ZINC001484611284 1191442057 /nfs/dbraw/zinc/44/20/57/1191442057.db2.gz YQTGQPFKLRXCQK-OALUTQOASA-N 2 2 347.503 2.152 10 0 EEAELP CCc1ccc(C[NH2+]C2(CNC(=O)Cn3cc[nH+]c3)CCC2)cc1 ZINC001484664118 1191463798 /nfs/dbraw/zinc/46/37/98/1191463798.db2.gz BSAVPKULDHPEMK-UHFFFAOYSA-N 2 2 326.444 2.274 10 0 EEAELP Cc1nc(C[NH+]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C)cs1 ZINC001484988172 1191604447 /nfs/dbraw/zinc/60/44/47/1191604447.db2.gz QWKLEBWSKOLWJM-DZGCQCFKSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)cs1 ZINC001484988172 1191604448 /nfs/dbraw/zinc/60/44/48/1191604448.db2.gz QWKLEBWSKOLWJM-DZGCQCFKSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)cs1 ZINC001484988172 1191604449 /nfs/dbraw/zinc/60/44/49/1191604449.db2.gz QWKLEBWSKOLWJM-DZGCQCFKSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)[C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)o1 ZINC001485170263 1191672207 /nfs/dbraw/zinc/67/22/07/1191672207.db2.gz SBLHDKBPYBRGDT-OLZOCXBDSA-N 2 2 341.415 2.236 10 0 EEAELP CCc1nc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)Cn2cc[nH+]c2)o1 ZINC001485265755 1191711241 /nfs/dbraw/zinc/71/12/41/1191711241.db2.gz LTFYQDZWGBRMGH-UHFFFAOYSA-N 2 2 347.463 2.016 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]Cc2cncs2)CCCCC1 ZINC001485457944 1191796983 /nfs/dbraw/zinc/79/69/83/1191796983.db2.gz VUAXXFWHIBBADK-UHFFFAOYSA-N 2 2 333.461 2.018 10 0 EEAELP C[C@H](F)CC[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001486148556 1193699206 /nfs/dbraw/zinc/69/92/06/1193699206.db2.gz QEPVZWRVBRHRQX-HDMKZQKVSA-N 2 2 336.455 2.214 10 0 EEAELP C[C@H](F)CC[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@@H]12 ZINC001486148556 1193699207 /nfs/dbraw/zinc/69/92/07/1193699207.db2.gz QEPVZWRVBRHRQX-HDMKZQKVSA-N 2 2 336.455 2.214 10 0 EEAELP Cc1ncsc1C[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2)CC1 ZINC001486442470 1193970445 /nfs/dbraw/zinc/97/04/45/1193970445.db2.gz RWYXLSVBQGJHQL-CYBMUJFWSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1cc(C[N@@H+]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)no1 ZINC001410029210 1197471174 /nfs/dbraw/zinc/47/11/74/1197471174.db2.gz HMCLMAGKIZEAFD-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cc(C[N@H+]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)no1 ZINC001410029210 1197471178 /nfs/dbraw/zinc/47/11/78/1197471178.db2.gz HMCLMAGKIZEAFD-KRWDZBQOSA-N 2 2 348.491 2.186 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[N@H+](Cc2cccnc2)CC1(C)C)n1cc[nH+]c1 ZINC001410032409 1197480424 /nfs/dbraw/zinc/48/04/24/1197480424.db2.gz RWSVEXNKOBTMJI-RDJZCZTQSA-N 2 2 341.459 2.256 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[N@@H+](Cc2cccnc2)CC1(C)C)n1cc[nH+]c1 ZINC001410032409 1197480426 /nfs/dbraw/zinc/48/04/26/1197480426.db2.gz RWSVEXNKOBTMJI-RDJZCZTQSA-N 2 2 341.459 2.256 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)n1 ZINC001410438681 1197897719 /nfs/dbraw/zinc/89/77/19/1197897719.db2.gz ARROWOCYCOQHCW-HZPDHXFCSA-N 2 2 343.475 2.483 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C4CC4)cn3)cn2)CC1 ZINC000865415717 1198204913 /nfs/dbraw/zinc/20/49/13/1198204913.db2.gz PCXHOBHDNWCPHG-UHFFFAOYSA-N 2 2 340.475 2.045 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001410855250 1198506248 /nfs/dbraw/zinc/50/62/48/1198506248.db2.gz PWOMCRCJYLOUMD-HUUCEWRRSA-N 2 2 336.480 2.217 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)o1 ZINC001410855250 1198506252 /nfs/dbraw/zinc/50/62/52/1198506252.db2.gz PWOMCRCJYLOUMD-HUUCEWRRSA-N 2 2 336.480 2.217 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001411233428 1198944296 /nfs/dbraw/zinc/94/42/96/1198944296.db2.gz HVELEXFHFBQNAZ-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP CN1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000810060832 1199220067 /nfs/dbraw/zinc/22/00/67/1199220067.db2.gz ZBRHYWIEGFGRNF-SQNIBIBYSA-N 2 2 337.895 2.132 10 0 EEAELP C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000810060832 1199220068 /nfs/dbraw/zinc/22/00/68/1199220068.db2.gz ZBRHYWIEGFGRNF-SQNIBIBYSA-N 2 2 337.895 2.132 10 0 EEAELP C[N@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000810060832 1199220070 /nfs/dbraw/zinc/22/00/70/1199220070.db2.gz ZBRHYWIEGFGRNF-SQNIBIBYSA-N 2 2 337.895 2.132 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000810249294 1199400986 /nfs/dbraw/zinc/40/09/86/1199400986.db2.gz SYSVYBDIAKCHIB-LJQANCHMSA-N 2 2 333.451 2.331 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000810249294 1199400991 /nfs/dbraw/zinc/40/09/91/1199400991.db2.gz SYSVYBDIAKCHIB-LJQANCHMSA-N 2 2 333.451 2.331 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001132404634 1199662506 /nfs/dbraw/zinc/66/25/06/1199662506.db2.gz KYXLPVFDTZDVCG-GOSISDBHSA-N 2 2 333.395 2.184 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001132404634 1199662511 /nfs/dbraw/zinc/66/25/11/1199662511.db2.gz KYXLPVFDTZDVCG-GOSISDBHSA-N 2 2 333.395 2.184 10 0 EEAELP C[NH+](C)C1(C)CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000866148859 1201446835 /nfs/dbraw/zinc/44/68/35/1201446835.db2.gz XORHAPNWYIVHRN-LYGPFTKASA-N 2 2 347.507 2.360 10 0 EEAELP C[NH+](C)C1(C)CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000866148859 1201446839 /nfs/dbraw/zinc/44/68/39/1201446839.db2.gz XORHAPNWYIVHRN-LYGPFTKASA-N 2 2 347.507 2.360 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)C[N@@H+]1CCc2ccccc2C1 ZINC000866227954 1201470721 /nfs/dbraw/zinc/47/07/21/1201470721.db2.gz DILDITHUFMHWHX-HKBOAZHASA-N 2 2 344.499 2.343 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)C[N@H+]1CCc2ccccc2C1 ZINC000866227954 1201470724 /nfs/dbraw/zinc/47/07/24/1201470724.db2.gz DILDITHUFMHWHX-HKBOAZHASA-N 2 2 344.499 2.343 10 0 EEAELP O[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1)C[N@@H+]1CCc2ccccc2C1 ZINC000866227963 1201470953 /nfs/dbraw/zinc/47/09/53/1201470953.db2.gz DILDITHUFMHWHX-QHAWAJNXSA-N 2 2 344.499 2.343 10 0 EEAELP O[C@H](C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1)C[N@H+]1CCc2ccccc2C1 ZINC000866227963 1201470955 /nfs/dbraw/zinc/47/09/55/1201470955.db2.gz DILDITHUFMHWHX-QHAWAJNXSA-N 2 2 344.499 2.343 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702476 1201584616 /nfs/dbraw/zinc/58/46/16/1201584616.db2.gz BTPNREOHNXLHGM-LJQANCHMSA-N 2 2 349.475 2.339 10 0 EEAELP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702476 1201584619 /nfs/dbraw/zinc/58/46/19/1201584619.db2.gz BTPNREOHNXLHGM-LJQANCHMSA-N 2 2 349.475 2.339 10 0 EEAELP COCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691723396 1204196831 /nfs/dbraw/zinc/19/68/31/1204196831.db2.gz ABKWCBLSFXUYSR-RDTXWAMCSA-N 2 2 344.459 2.430 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001274804170 1205169546 /nfs/dbraw/zinc/16/95/46/1205169546.db2.gz RAFYKFCTONOUTA-YXMGTMDOSA-N 2 2 339.439 2.440 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1(C[NH2+]CCC[C@@H]2CCOC2)CCCCC1 ZINC001276231379 1205845791 /nfs/dbraw/zinc/84/57/91/1205845791.db2.gz NGRHFNJIJQVREU-MRXNPFEDSA-N 2 2 348.491 2.178 10 0 EEAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cnn(C2CCC2)c1 ZINC000924901883 1206048524 /nfs/dbraw/zinc/04/85/24/1206048524.db2.gz LPJGSIXYHYHPMA-CRAIPNDOSA-N 2 2 347.507 2.201 10 0 EEAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cnn(C2CCC2)c1 ZINC000924901883 1206048528 /nfs/dbraw/zinc/04/85/28/1206048528.db2.gz LPJGSIXYHYHPMA-CRAIPNDOSA-N 2 2 347.507 2.201 10 0 EEAELP C[C@H]1[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[N@@H+]1C ZINC000925339427 1206099416 /nfs/dbraw/zinc/09/94/16/1206099416.db2.gz RIYLFYHTLSXEHE-YOEHRIQHSA-N 2 2 345.491 2.201 10 0 EEAELP C[C@H]1[C@@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[N@H+]1C ZINC000925339427 1206099419 /nfs/dbraw/zinc/09/94/19/1206099419.db2.gz RIYLFYHTLSXEHE-YOEHRIQHSA-N 2 2 345.491 2.201 10 0 EEAELP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925521865 1206122417 /nfs/dbraw/zinc/12/24/17/1206122417.db2.gz KQKJCGSLWXMLQK-BHIYHBOVSA-N 2 2 328.504 2.057 10 0 EEAELP Cc1cccc([C@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)N2CCOCC2)c1 ZINC000925539725 1206124976 /nfs/dbraw/zinc/12/49/76/1206124976.db2.gz KVTLOVSMXPEYHB-RBUKOAKNSA-N 2 2 329.488 2.243 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000925792199 1206154244 /nfs/dbraw/zinc/15/42/44/1206154244.db2.gz DXJZXPIECTWWDI-RHSMWYFYSA-N 2 2 343.471 2.381 10 0 EEAELP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c(Br)n1 ZINC000925806910 1206155676 /nfs/dbraw/zinc/15/56/76/1206155676.db2.gz SBJKVCPTYXZYQO-UONOGXRCSA-N 2 2 341.297 2.441 10 0 EEAELP C[NH+](C)Cc1csc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)n1 ZINC000926151368 1206198926 /nfs/dbraw/zinc/19/89/26/1206198926.db2.gz UWQQYSQLHOWBKM-UHFFFAOYSA-N 2 2 345.472 2.172 10 0 EEAELP CON1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000926329952 1206214049 /nfs/dbraw/zinc/21/40/49/1206214049.db2.gz IOVZACOKOWGNBP-UHFFFAOYSA-N 2 2 335.414 2.407 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926747771 1206240810 /nfs/dbraw/zinc/24/08/10/1206240810.db2.gz XYKKWHGBHYINNN-GJZGRUSLSA-N 2 2 336.867 2.042 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926747771 1206240812 /nfs/dbraw/zinc/24/08/12/1206240812.db2.gz XYKKWHGBHYINNN-GJZGRUSLSA-N 2 2 336.867 2.042 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000928434651 1206382804 /nfs/dbraw/zinc/38/28/04/1206382804.db2.gz BAFSSFYFZGKXCR-OLMNPRSZSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1C ZINC000928434651 1206382807 /nfs/dbraw/zinc/38/28/07/1206382807.db2.gz BAFSSFYFZGKXCR-OLMNPRSZSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000928434651 1206382808 /nfs/dbraw/zinc/38/28/08/1206382808.db2.gz BAFSSFYFZGKXCR-OLMNPRSZSA-N 2 2 333.451 2.389 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000928434651 1206382810 /nfs/dbraw/zinc/38/28/10/1206382810.db2.gz BAFSSFYFZGKXCR-OLMNPRSZSA-N 2 2 333.451 2.389 10 0 EEAELP CON1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000929772031 1206500368 /nfs/dbraw/zinc/50/03/68/1206500368.db2.gz DBZZSGATLPPDJY-QUCCMNQESA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000929772031 1206500370 /nfs/dbraw/zinc/50/03/70/1206500370.db2.gz DBZZSGATLPPDJY-QUCCMNQESA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000929772031 1206500372 /nfs/dbraw/zinc/50/03/72/1206500372.db2.gz DBZZSGATLPPDJY-QUCCMNQESA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000929772031 1206500373 /nfs/dbraw/zinc/50/03/73/1206500373.db2.gz DBZZSGATLPPDJY-QUCCMNQESA-N 2 2 343.471 2.137 10 0 EEAELP COC(=O)c1ccccc1OCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931310005 1206623608 /nfs/dbraw/zinc/62/36/08/1206623608.db2.gz ALCROMFVASWBGY-RTBURBONSA-N 2 2 332.444 2.126 10 0 EEAELP c1ccc(C2([NH+]3CCCC3)CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000933549224 1207785994 /nfs/dbraw/zinc/78/59/94/1207785994.db2.gz DSYBGPYHIPOMPL-UHFFFAOYSA-N 2 2 343.515 2.406 10 0 EEAELP C[C@H]1CC[N@H+](CCNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900912662 1234994410 /nfs/dbraw/zinc/99/44/10/1234994410.db2.gz NMZUZNZLGBCAMQ-INIZCTEOSA-N 2 2 341.459 2.067 10 0 EEAELP C[C@H]1CC[N@@H+](CCNC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C1 ZINC000900912662 1234994413 /nfs/dbraw/zinc/99/44/13/1234994413.db2.gz NMZUZNZLGBCAMQ-INIZCTEOSA-N 2 2 341.459 2.067 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)O[C@H]3CC[N@H+](CCF)C3)cc2)CC1 ZINC000802232668 1237145684 /nfs/dbraw/zinc/14/56/84/1237145684.db2.gz KRXZTYGTXNHKOR-SFHVURJKSA-N 2 2 349.450 2.029 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)O[C@H]3CC[N@@H+](CCF)C3)cc2)CC1 ZINC000802232668 1237145687 /nfs/dbraw/zinc/14/56/87/1237145687.db2.gz KRXZTYGTXNHKOR-SFHVURJKSA-N 2 2 349.450 2.029 10 0 EEAELP CO[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCSC1 ZINC000903309214 1240226316 /nfs/dbraw/zinc/22/63/16/1240226316.db2.gz DMENDZBOYLQDHR-NJAFHUGGSA-N 2 2 335.517 2.404 10 0 EEAELP CO[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCSC1 ZINC000903309214 1240226320 /nfs/dbraw/zinc/22/63/20/1240226320.db2.gz DMENDZBOYLQDHR-NJAFHUGGSA-N 2 2 335.517 2.404 10 0 EEAELP CC(=O)c1ccccc1OCC[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816606 1242066221 /nfs/dbraw/zinc/06/62/21/1242066221.db2.gz XESRJLSHSTVTCH-UHFFFAOYSA-N 2 2 332.444 2.113 10 0 EEAELP CC(=O)c1ccccc1OCC[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903816606 1242066232 /nfs/dbraw/zinc/06/62/32/1242066232.db2.gz XESRJLSHSTVTCH-UHFFFAOYSA-N 2 2 332.444 2.113 10 0 EEAELP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3cc(F)c(F)cc3C2)cnn1C ZINC000903947819 1242660892 /nfs/dbraw/zinc/66/08/92/1242660892.db2.gz IOSZLEQFSMLCRS-ZDUSSCGKSA-N 2 2 334.414 2.182 10 0 EEAELP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCc3cc(F)c(F)cc3C2)cnn1C ZINC000903947819 1242660902 /nfs/dbraw/zinc/66/09/02/1242660902.db2.gz IOSZLEQFSMLCRS-ZDUSSCGKSA-N 2 2 334.414 2.182 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCc2ccc(F)c(F)c2)C1 ZINC001491039528 1258596055 /nfs/dbraw/zinc/59/60/55/1258596055.db2.gz MSVIJAPTZMQNOR-GASCZTMLSA-N 2 2 348.397 2.031 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001491085128 1258651421 /nfs/dbraw/zinc/65/14/21/1258651421.db2.gz JRDYELPMQIPHTG-HDICACEKSA-N 2 2 326.444 2.143 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1F ZINC001491222508 1258792299 /nfs/dbraw/zinc/79/22/99/1258792299.db2.gz BKSQXTMOTFUNDT-OAHLLOKOSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1F ZINC001491222508 1258792306 /nfs/dbraw/zinc/79/23/06/1258792306.db2.gz BKSQXTMOTFUNDT-OAHLLOKOSA-N 2 2 339.430 2.387 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCc1ccsc1 ZINC001491507527 1259158978 /nfs/dbraw/zinc/15/89/78/1259158978.db2.gz JOIFXYJEVZGNJS-GOEBONIOSA-N 2 2 346.500 2.234 10 0 EEAELP Cc1nc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cc3[nH]cc[nH+]3)C2)cs1 ZINC001267896043 1276797979 /nfs/dbraw/zinc/79/79/79/1276797979.db2.gz NANYCEQDXZMRJT-AWEZNQCLSA-N 2 2 347.488 2.136 10 0 EEAELP COC(=O)c1nc(C[NH2+]C2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000850512036 1277252899 /nfs/dbraw/zinc/25/28/99/1277252899.db2.gz USAYSTQXYAARLN-UHFFFAOYSA-N 2 2 325.840 2.484 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001273710128 1283869376 /nfs/dbraw/zinc/86/93/76/1283869376.db2.gz KEUGXCBSUQWVGX-UHFFFAOYSA-N 2 2 328.460 2.368 10 0 EEAELP CC(C)OCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001273841359 1286676495 /nfs/dbraw/zinc/67/64/95/1286676495.db2.gz SKHMZTUDVTZKFL-LJQANCHMSA-N 2 2 348.491 2.082 10 0 EEAELP CC(C)OCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001273841359 1286676504 /nfs/dbraw/zinc/67/65/04/1286676504.db2.gz SKHMZTUDVTZKFL-LJQANCHMSA-N 2 2 348.491 2.082 10 0 EEAELP Cc1ccccc1C[N@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001490389487 1291277157 /nfs/dbraw/zinc/27/71/57/1291277157.db2.gz JHJQJPSFPUMNFF-UHFFFAOYSA-N 2 2 326.444 2.432 10 0 EEAELP Cc1ccccc1C[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001490389487 1291277161 /nfs/dbraw/zinc/27/71/61/1291277161.db2.gz JHJQJPSFPUMNFF-UHFFFAOYSA-N 2 2 326.444 2.432 10 0 EEAELP Cc1cnc([C@H](C)[N@H+](CCCNC(=O)Cn2cc[nH+]c2C)C2CC2)o1 ZINC001490393848 1291284307 /nfs/dbraw/zinc/28/43/07/1291284307.db2.gz NMMTXYZGBWEAPF-AWEZNQCLSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+](CCCNC(=O)Cn2cc[nH+]c2C)C2CC2)o1 ZINC001490393848 1291284314 /nfs/dbraw/zinc/28/43/14/1291284314.db2.gz NMMTXYZGBWEAPF-AWEZNQCLSA-N 2 2 345.447 2.220 10 0 EEAELP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858324119 1294083318 /nfs/dbraw/zinc/08/33/18/1294083318.db2.gz RYQQWXSZWPDXSE-NVXWUHKLSA-N 2 2 331.460 2.182 10 0 EEAELP CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000858324119 1294083323 /nfs/dbraw/zinc/08/33/23/1294083323.db2.gz RYQQWXSZWPDXSE-NVXWUHKLSA-N 2 2 331.460 2.182 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H]3C[C@H]([NH2+]CC[C@@H](C)F)C3)[nH+]c12 ZINC001490933458 1299586327 /nfs/dbraw/zinc/58/63/27/1299586327.db2.gz FEDHNBYVXBPGHP-RBSFLKMASA-N 2 2 332.423 2.170 10 0 EEAELP C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]Cc1ccccn1 ZINC001264518242 1322722736 /nfs/dbraw/zinc/72/27/36/1322722736.db2.gz PPESFEZUGYBGLY-YJBOKZPZSA-N 2 2 341.459 2.154 10 0 EEAELP CC[C@H](F)C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265167004 1322961381 /nfs/dbraw/zinc/96/13/81/1322961381.db2.gz 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ZINC001320890860 1332972654 /nfs/dbraw/zinc/97/26/54/1332972654.db2.gz AUYISBZXTPNJRE-UHFFFAOYSA-N 2 2 344.459 2.334 10 0 EEAELP CCN(CC[NH2+]Cc1cc2ccccc2o1)C(=O)Cn1cc[nH+]c1 ZINC001320931755 1332982190 /nfs/dbraw/zinc/98/21/90/1332982190.db2.gz GUAVJMBUHPMIOP-UHFFFAOYSA-N 2 2 326.400 2.268 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]CCC2CCOCC2)c[nH+]1 ZINC001321110731 1333021997 /nfs/dbraw/zinc/02/19/97/1333021997.db2.gz NHIOBYLPWVEBRH-PLNGDYQASA-N 2 2 348.491 2.005 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(F)c1Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001322710401 1333311914 /nfs/dbraw/zinc/31/19/14/1333311914.db2.gz JIYZATLGVFIHBO-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP C[C@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1C[NH2+]CCF ZINC001325543078 1333907570 /nfs/dbraw/zinc/90/75/70/1333907570.db2.gz ODLHZGFOIGTPDU-HOCLYGCPSA-N 2 2 330.407 2.140 10 0 EEAELP CC(C)COCC[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001327879230 1334358678 /nfs/dbraw/zinc/35/86/78/1334358678.db2.gz FBUIGCNKMBZNQJ-KSSFIOAISA-N 2 2 344.459 2.286 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001329166661 1334598203 /nfs/dbraw/zinc/59/82/03/1334598203.db2.gz IHVRNRFPOCSVOP-KBPBESRZSA-N 2 2 339.443 2.127 10 0 EEAELP C[C@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001330853598 1334914924 /nfs/dbraw/zinc/91/49/24/1334914924.db2.gz XBDCQXWMCIVUOC-OLZOCXBDSA-N 2 2 346.397 2.272 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCCC2CCOCC2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001332027751 1335709173 /nfs/dbraw/zinc/70/91/73/1335709173.db2.gz NBKAJISNKRGMKY-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2cn3cccc(C)c3[nH+]2)C1 ZINC001332313097 1335800440 /nfs/dbraw/zinc/80/04/40/1335800440.db2.gz ZXNATICRDZXSHB-CVEARBPZSA-N 2 2 328.460 2.470 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001671654084 1356385598 /nfs/dbraw/zinc/38/55/98/1356385598.db2.gz MSNNTNRKXLOVDM-QDYBUIJZSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001671654084 1356385602 /nfs/dbraw/zinc/38/56/02/1356385602.db2.gz MSNNTNRKXLOVDM-QDYBUIJZSA-N 2 2 330.476 2.382 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001507357199 1342318581 /nfs/dbraw/zinc/31/85/81/1342318581.db2.gz PZNQYQSKXYZKJK-MJGOQNOKSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH]c[nH+]3)CCC[C@@H]12 ZINC001507357199 1342318584 /nfs/dbraw/zinc/31/85/84/1342318584.db2.gz PZNQYQSKXYZKJK-MJGOQNOKSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001507357199 1342318587 /nfs/dbraw/zinc/31/85/87/1342318587.db2.gz PZNQYQSKXYZKJK-MJGOQNOKSA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@]2(NC(=O)CCc3c[nH+]c[nH]3)CCC[C@@H]12 ZINC001507357199 1342318590 /nfs/dbraw/zinc/31/85/90/1342318590.db2.gz PZNQYQSKXYZKJK-MJGOQNOKSA-N 2 2 348.491 2.128 10 0 EEAELP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[C@H](C[NH2+]CCCCCF)C1 ZINC001567132066 1342698804 /nfs/dbraw/zinc/69/88/04/1342698804.db2.gz WUBNONQNCVPERP-HZPDHXFCSA-N 2 2 336.455 2.023 10 0 EEAELP Cc1cnc(C[N@@H+](C)[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001567202057 1342710463 /nfs/dbraw/zinc/71/04/63/1342710463.db2.gz LJEWVIHTDBLZNK-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1cnc(C[N@H+](C)[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)o1 ZINC001567202057 1342710466 /nfs/dbraw/zinc/71/04/66/1342710466.db2.gz LJEWVIHTDBLZNK-INIZCTEOSA-N 2 2 336.480 2.138 10 0 EEAELP CN(CC[NH2+]Cc1cscn1)C(=O)c1sccc1C[NH+](C)C ZINC001567502590 1342772204 /nfs/dbraw/zinc/77/22/04/1342772204.db2.gz JWVCADXWYSIRSG-UHFFFAOYSA-N 2 2 338.502 2.128 10 0 EEAELP CC(C)=CC[NH2+][C@H]1CN(C(=O)Cc2cn3c([nH+]2)CCCC3)C[C@@H]1C ZINC001570342115 1343057686 /nfs/dbraw/zinc/05/76/86/1343057686.db2.gz NEAKRJTZYOHDDZ-RDJZCZTQSA-N 2 2 330.476 2.165 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1C ZINC001571455712 1343211696 /nfs/dbraw/zinc/21/16/96/1343211696.db2.gz RJVRVKSPCCZUQL-NVXWUHKLSA-N 2 2 330.476 2.307 10 0 EEAELP Cc1nc(CC[NH2+]C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)C(C)(C)C)cs1 ZINC001571636112 1343256628 /nfs/dbraw/zinc/25/66/28/1343256628.db2.gz SHSRZUVSSWVNAH-CQSZACIVSA-N 2 2 349.504 2.080 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCc2ccccc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001676762824 1357195638 /nfs/dbraw/zinc/19/56/38/1357195638.db2.gz OKSBRHAJWXRYAX-QAPCUYQASA-N 2 2 326.444 2.164 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001677376482 1357324796 /nfs/dbraw/zinc/32/47/96/1357324796.db2.gz UGZMJMWWLJOQIF-ZIAGYGMSSA-N 2 2 344.381 2.287 10 0 EEAELP CNc1cc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc[nH+]1 ZINC001646962652 1353075536 /nfs/dbraw/zinc/07/55/36/1353075536.db2.gz JVCVKYHRIXIWKL-MRXNPFEDSA-N 2 2 331.464 2.283 10 0 EEAELP CCNc1cc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC001650536218 1353979036 /nfs/dbraw/zinc/97/90/36/1353979036.db2.gz NWYBISMVSZAJOM-LSDHHAIUSA-N 2 2 333.480 2.433 10 0 EEAELP CCNc1cc(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc[nH+]1 ZINC001650536218 1353979037 /nfs/dbraw/zinc/97/90/37/1353979037.db2.gz NWYBISMVSZAJOM-LSDHHAIUSA-N 2 2 333.480 2.433 10 0 EEAELP COCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001660438503 1354464952 /nfs/dbraw/zinc/46/49/52/1354464952.db2.gz BRRLQJUODQMKFC-NVXWUHKLSA-N 2 2 344.459 2.262 10 0 EEAELP CC[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1CCCC1 ZINC001660550787 1354487790 /nfs/dbraw/zinc/48/77/90/1354487790.db2.gz OQUPFHGUOBMMNJ-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CC[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1CCCC1 ZINC001660550787 1354487793 /nfs/dbraw/zinc/48/77/93/1354487793.db2.gz OQUPFHGUOBMMNJ-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)c(C)s1 ZINC001664027431 1355076685 /nfs/dbraw/zinc/07/66/85/1355076685.db2.gz BRFGHURKFBIYFL-HNNXBMFYSA-N 2 2 346.500 2.372 10 0 EEAELP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001664029896 1355077491 /nfs/dbraw/zinc/07/74/91/1355077491.db2.gz YDRPVQWAQIAERL-KRWDZBQOSA-N 2 2 340.471 2.311 10 0 EEAELP COCCCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCC1 ZINC001665934078 1355412421 /nfs/dbraw/zinc/41/24/21/1355412421.db2.gz WXBBTAHPECEQTM-UHFFFAOYSA-N 2 2 344.459 2.393 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@](C)(C[NH2+]CCc1cccs1)C1CC1 ZINC001666038207 1355430092 /nfs/dbraw/zinc/43/00/92/1355430092.db2.gz UEESYFLEMVBQPI-SFHVURJKSA-N 2 2 346.500 2.439 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H](CC[NH2+]C[C@H]2CCCCO2)C1 ZINC001666167159 1355473064 /nfs/dbraw/zinc/47/30/64/1355473064.db2.gz DEMDOYCECHESMS-DLBZAZTESA-N 2 2 348.491 2.048 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001667687406 1355785201 /nfs/dbraw/zinc/78/52/01/1355785201.db2.gz NMVODYDYTNNESE-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@H]21 ZINC001667687406 1355785206 /nfs/dbraw/zinc/78/52/06/1355785206.db2.gz NMVODYDYTNNESE-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001667687406 1355785209 /nfs/dbraw/zinc/78/52/09/1355785209.db2.gz NMVODYDYTNNESE-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP CCCCOCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@H]21 ZINC001667687406 1355785214 /nfs/dbraw/zinc/78/52/14/1355785214.db2.gz NMVODYDYTNNESE-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001668117677 1355876154 /nfs/dbraw/zinc/87/61/54/1355876154.db2.gz KOQHRDOOJOILSZ-DOTOQJQBSA-N 2 2 330.476 2.430 10 0 EEAELP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ncc(C(C)(C)C)o1 ZINC001669021210 1356069554 /nfs/dbraw/zinc/06/95/54/1356069554.db2.gz SIBOUTPGIUOTFK-DANTVBBOSA-N 2 2 336.480 2.247 10 0 EEAELP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001669364933 1356150512 /nfs/dbraw/zinc/15/05/12/1356150512.db2.gz XNQIRRAZVSWLKN-CQSZACIVSA-N 2 2 334.851 2.264 10 0 EEAELP Cc1cc(C[NH2+]CC[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)on1 ZINC001672876366 1356605140 /nfs/dbraw/zinc/60/51/40/1356605140.db2.gz ZTRSGNXFWBRVJM-HZPDHXFCSA-N 2 2 345.447 2.159 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1COCC[NH+]1CC1=CCCCC1 ZINC001673048512 1356637284 /nfs/dbraw/zinc/63/72/84/1356637284.db2.gz FKCJFULTSLEICL-RBUKOAKNSA-N 2 2 349.519 2.178 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1COCC[NH+]1CC1=CCCCC1 ZINC001673048512 1356637288 /nfs/dbraw/zinc/63/72/88/1356637288.db2.gz FKCJFULTSLEICL-RBUKOAKNSA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001673048512 1356637293 /nfs/dbraw/zinc/63/72/93/1356637293.db2.gz FKCJFULTSLEICL-RBUKOAKNSA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001673048512 1356637296 /nfs/dbraw/zinc/63/72/96/1356637296.db2.gz FKCJFULTSLEICL-RBUKOAKNSA-N 2 2 349.519 2.178 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@]2(CC[N@@H+](CCCCCF)C2)C1 ZINC001673650151 1356727064 /nfs/dbraw/zinc/72/70/64/1356727064.db2.gz FPTLCUIFVKGWJK-GOSISDBHSA-N 2 2 336.455 2.407 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001673650151 1356727065 /nfs/dbraw/zinc/72/70/65/1356727065.db2.gz FPTLCUIFVKGWJK-GOSISDBHSA-N 2 2 336.455 2.407 10 0 EEAELP C[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C1C[NH+](CCCCCF)C1 ZINC001675344016 1356968562 /nfs/dbraw/zinc/96/85/62/1356968562.db2.gz ZQQWNTGBGZAULU-FVQBIDKESA-N 2 2 336.455 2.100 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC001699990415 1405644321 /nfs/dbraw/zinc/64/43/21/1405644321.db2.gz ZWEKTIKTSOVSRC-CALCHBBNSA-N 2 2 349.450 2.163 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1C[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC001699990415 1405644335 /nfs/dbraw/zinc/64/43/35/1405644335.db2.gz ZWEKTIKTSOVSRC-CALCHBBNSA-N 2 2 349.450 2.163 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(OC(F)(F)F)cc1 ZINC000819322974 785505432 /nfs/dbraw/zinc/50/54/32/785505432.db2.gz XGCRCKLVBHWBSN-IAQYHMDHSA-N 2 2 341.333 2.489 10 0 EEAELP CC(C)(C[NH+]1CCOCC1)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000910450123 786777003 /nfs/dbraw/zinc/77/70/03/786777003.db2.gz PTTGZCCUQYNSGC-UHFFFAOYSA-N 2 2 344.459 2.131 10 0 EEAELP Fc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(F)cn1 ZINC000823596745 787825064 /nfs/dbraw/zinc/82/50/64/787825064.db2.gz USPJRGDXNFXELV-UHFFFAOYSA-N 2 2 333.382 2.482 10 0 EEAELP Clc1ccccc1OCC[NH+]1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923319391 789363300 /nfs/dbraw/zinc/36/33/00/789363300.db2.gz MRSZRWQOVNLDBH-UHFFFAOYSA-N 2 2 337.895 2.479 10 0 EEAELP CCO[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1)C[NH+](C)C ZINC000922756875 801826097 /nfs/dbraw/zinc/82/60/97/801826097.db2.gz PWSQRZDNWUKUFB-KRWDZBQOSA-N 2 2 332.448 2.142 10 0 EEAELP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001436424375 1087790300 /nfs/dbraw/zinc/79/03/00/1087790300.db2.gz WWPBCWAFFIGRON-YLFCFFPRSA-N 2 2 332.492 2.444 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001436492589 1087995361 /nfs/dbraw/zinc/99/53/61/1087995361.db2.gz XONVRARGYRFLID-SJORKVTESA-N 2 2 348.491 2.328 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001436492589 1087995377 /nfs/dbraw/zinc/99/53/77/1087995377.db2.gz XONVRARGYRFLID-SJORKVTESA-N 2 2 348.491 2.328 10 0 EEAELP CCO[C@@H](C[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2)CC1)C1CC1 ZINC001436665220 1088098860 /nfs/dbraw/zinc/09/88/60/1088098860.db2.gz BAEMYIFXAASVBB-SFHVURJKSA-N 2 2 348.491 2.011 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC001436903451 1088559777 /nfs/dbraw/zinc/55/97/77/1088559777.db2.gz PZGLGEZBKJCZBE-JFIYKMOQSA-N 2 2 338.455 2.277 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC001437159973 1089165738 /nfs/dbraw/zinc/16/57/38/1089165738.db2.gz GWJVRMMWIFAPEO-RDJZCZTQSA-N 2 2 326.444 2.048 10 0 EEAELP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@H](C)c1ncc(C)o1 ZINC001437598032 1090104005 /nfs/dbraw/zinc/10/40/05/1090104005.db2.gz UEUKRWFUHJRRKT-CVEARBPZSA-N 2 2 336.480 2.357 10 0 EEAELP CC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@H](C)c1ncc(C)o1 ZINC001437598032 1090104011 /nfs/dbraw/zinc/10/40/11/1090104011.db2.gz UEUKRWFUHJRRKT-CVEARBPZSA-N 2 2 336.480 2.357 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H](C)c1ncc(C)o1 ZINC001437598032 1090104014 /nfs/dbraw/zinc/10/40/14/1090104014.db2.gz UEUKRWFUHJRRKT-CVEARBPZSA-N 2 2 336.480 2.357 10 0 EEAELP CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)[C@H](C)c1ncc(C)o1 ZINC001437598032 1090104020 /nfs/dbraw/zinc/10/40/20/1090104020.db2.gz UEUKRWFUHJRRKT-CVEARBPZSA-N 2 2 336.480 2.357 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001437710722 1090258185 /nfs/dbraw/zinc/25/81/85/1090258185.db2.gz KCBMUGRCUFOOHE-KXBFYZLASA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001437710722 1090258189 /nfs/dbraw/zinc/25/81/89/1090258189.db2.gz KCBMUGRCUFOOHE-KXBFYZLASA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC001437710722 1090258192 /nfs/dbraw/zinc/25/81/92/1090258192.db2.gz KCBMUGRCUFOOHE-KXBFYZLASA-N 2 2 338.455 2.468 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001437710722 1090258197 /nfs/dbraw/zinc/25/81/97/1090258197.db2.gz KCBMUGRCUFOOHE-KXBFYZLASA-N 2 2 338.455 2.468 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001437729116 1090285997 /nfs/dbraw/zinc/28/59/97/1090285997.db2.gz JIFYNQGRNDVFKT-CABCVRRESA-N 2 2 345.447 2.023 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001437729116 1090286006 /nfs/dbraw/zinc/28/60/06/1090286006.db2.gz JIFYNQGRNDVFKT-CABCVRRESA-N 2 2 345.447 2.023 10 0 EEAELP CC[C@H](C(=O)NCC1C[NH+](Cc2cccc(F)c2Cl)C1)[NH+](C)C ZINC001438128356 1090653660 /nfs/dbraw/zinc/65/36/60/1090653660.db2.gz PAZJJMBPFISWAA-OAHLLOKOSA-N 2 2 341.858 2.367 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)C[NH2+]Cc1cccc(F)c1 ZINC001438511525 1091004406 /nfs/dbraw/zinc/00/44/06/1091004406.db2.gz VRSWOYMVOKQOHV-AWEZNQCLSA-N 2 2 345.418 2.314 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(F)c1Cl)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001438701918 1091209213 /nfs/dbraw/zinc/20/92/13/1091209213.db2.gz QJACKVLLNLUTPR-NSHDSACASA-N 2 2 338.814 2.381 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1nsc2ccccc12)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445873670 1091798852 /nfs/dbraw/zinc/79/88/52/1091798852.db2.gz SVRJCADGWSNDIL-UONOGXRCSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1nsc2ccccc12)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001445873670 1091798858 /nfs/dbraw/zinc/79/88/58/1091798858.db2.gz SVRJCADGWSNDIL-UONOGXRCSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@@H](C[NH+](C)Cc1nsc2ccccc12)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445873670 1091798862 /nfs/dbraw/zinc/79/88/62/1091798862.db2.gz SVRJCADGWSNDIL-UONOGXRCSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@@H](C[NH+](C)Cc1nsc2ccccc12)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445873670 1091798868 /nfs/dbraw/zinc/79/88/68/1091798868.db2.gz SVRJCADGWSNDIL-UONOGXRCSA-N 2 2 346.500 2.185 10 0 EEAELP C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001439381428 1092126310 /nfs/dbraw/zinc/12/63/10/1092126310.db2.gz LBGCMEXBIPWEES-ZIAGYGMSSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001439381428 1092126314 /nfs/dbraw/zinc/12/63/14/1092126314.db2.gz LBGCMEXBIPWEES-ZIAGYGMSSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](C[N@H+](C)CCc1cccs1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001439381428 1092126316 /nfs/dbraw/zinc/12/63/16/1092126316.db2.gz LBGCMEXBIPWEES-ZIAGYGMSSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1cccs1)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001439381428 1092126321 /nfs/dbraw/zinc/12/63/21/1092126321.db2.gz LBGCMEXBIPWEES-ZIAGYGMSSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccc(Cl)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001439406902 1092168646 /nfs/dbraw/zinc/16/86/46/1092168646.db2.gz PDMAFIHNWKRYFW-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccc(Cl)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001439406902 1092168649 /nfs/dbraw/zinc/16/86/49/1092168649.db2.gz PDMAFIHNWKRYFW-LBPRGKRZSA-N 2 2 338.814 2.312 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001439413265 1092180422 /nfs/dbraw/zinc/18/04/22/1092180422.db2.gz YAHULBDIXXJTDT-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001439413265 1092180426 /nfs/dbraw/zinc/18/04/26/1092180426.db2.gz YAHULBDIXXJTDT-KBXCAEBGSA-N 2 2 344.459 2.222 10 0 EEAELP CCO[C@@H](C[NH2+]C1(CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1)C1CC1 ZINC001446214464 1092306134 /nfs/dbraw/zinc/30/61/34/1092306134.db2.gz WQIYKGNCPQUYDK-KRWDZBQOSA-N 2 2 342.443 2.230 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CCc3ccccc3)CC2)c[nH+]1 ZINC001439622369 1092533162 /nfs/dbraw/zinc/53/31/62/1092533162.db2.gz ANNRMWDSPVDJBD-UHFFFAOYSA-N 2 2 340.471 2.408 10 0 EEAELP 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ZINC001441558491 1095302540 /nfs/dbraw/zinc/30/25/40/1095302540.db2.gz ODVHSUOOPRZKFD-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c(C)s1 ZINC001441649641 1095602881 /nfs/dbraw/zinc/60/28/81/1095602881.db2.gz LRLUHOFLDXWGBH-LLVKDONJSA-N 2 2 349.504 2.397 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N(CC[N@H+](C)Cc1cccnc1C)C(C)C ZINC001442129430 1096369038 /nfs/dbraw/zinc/36/90/38/1096369038.db2.gz KPPPLWDIHJUSKG-UHFFFAOYSA-N 2 2 343.475 2.264 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N(CC[N@@H+](C)Cc1cccnc1C)C(C)C ZINC001442129430 1096369046 /nfs/dbraw/zinc/36/90/46/1096369046.db2.gz KPPPLWDIHJUSKG-UHFFFAOYSA-N 2 2 343.475 2.264 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]C[C@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001442138280 1096383498 /nfs/dbraw/zinc/38/34/98/1096383498.db2.gz CKKPAPSZJVGIML-ZBFHGGJFSA-N 2 2 344.459 2.105 10 0 EEAELP CC(C)CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC[C@H]1C(F)(F)F ZINC001442219742 1096515232 /nfs/dbraw/zinc/51/52/32/1096515232.db2.gz AWDIQLVCFKSEMX-ZIAGYGMSSA-N 2 2 346.397 2.367 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001442881380 1097276759 /nfs/dbraw/zinc/27/67/59/1097276759.db2.gz KGTYVAFWUFPAOG-INIZCTEOSA-N 2 2 344.434 2.359 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@@H](CNC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001442881380 1097276762 /nfs/dbraw/zinc/27/67/62/1097276762.db2.gz KGTYVAFWUFPAOG-INIZCTEOSA-N 2 2 344.434 2.359 10 0 EEAELP Cc1ccc(F)c(C[N@H+]2CC[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001442914718 1097323014 /nfs/dbraw/zinc/32/30/14/1097323014.db2.gz ZVPWAFJFXHAGJC-OAHLLOKOSA-N 2 2 344.434 2.048 10 0 EEAELP Cc1ccc(F)c(C[N@@H+]2CC[C@H](CNC(=O)Cc3c[nH+]cn3C)C2)c1 ZINC001442914718 1097323018 /nfs/dbraw/zinc/32/30/18/1097323018.db2.gz ZVPWAFJFXHAGJC-OAHLLOKOSA-N 2 2 344.434 2.048 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1ccn(C)n1 ZINC001442965876 1097388285 /nfs/dbraw/zinc/38/82/85/1097388285.db2.gz PTXMDCLGBGYJKV-KRWDZBQOSA-N 2 2 349.523 2.013 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1ccn(C)n1 ZINC001442965876 1097388290 /nfs/dbraw/zinc/38/82/90/1097388290.db2.gz PTXMDCLGBGYJKV-KRWDZBQOSA-N 2 2 349.523 2.013 10 0 EEAELP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](Cc2nocc2C)C1 ZINC001443190194 1097635069 /nfs/dbraw/zinc/63/50/69/1097635069.db2.gz RJHBFCKCHQPGHQ-WBVHZDCISA-N 2 2 336.480 2.136 10 0 EEAELP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2nocc2C)C1 ZINC001443190194 1097635071 /nfs/dbraw/zinc/63/50/71/1097635071.db2.gz RJHBFCKCHQPGHQ-WBVHZDCISA-N 2 2 336.480 2.136 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1C[NH+](CCC2CCCC2)C1 ZINC001443592355 1098083656 /nfs/dbraw/zinc/08/36/56/1098083656.db2.gz PRYFCGGCTSTEDU-UHFFFAOYSA-N 2 2 331.460 2.261 10 0 EEAELP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1cncs1 ZINC001443941017 1098461087 /nfs/dbraw/zinc/46/10/87/1098461087.db2.gz JWKRJWYIFXZDFB-CYBMUJFWSA-N 2 2 335.477 2.068 10 0 EEAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1csc(C)n1 ZINC001444009672 1098526338 /nfs/dbraw/zinc/52/63/38/1098526338.db2.gz OOGRUAKJLSTZTE-TZMCWYRMSA-N 2 2 335.477 2.284 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC001479482844 1098559890 /nfs/dbraw/zinc/55/98/90/1098559890.db2.gz VXQRDCLFNRIRRN-DLBZAZTESA-N 2 2 326.444 2.069 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1Cc1ccon1 ZINC001479642010 1098672444 /nfs/dbraw/zinc/67/24/44/1098672444.db2.gz WZOZXEKVBKHAHS-JKSUJKDBSA-N 2 2 336.480 2.122 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@H+]1Cc1ccon1 ZINC001479642010 1098672447 /nfs/dbraw/zinc/67/24/47/1098672447.db2.gz WZOZXEKVBKHAHS-JKSUJKDBSA-N 2 2 336.480 2.122 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccon1 ZINC001479642010 1098672452 /nfs/dbraw/zinc/67/24/52/1098672452.db2.gz WZOZXEKVBKHAHS-JKSUJKDBSA-N 2 2 336.480 2.122 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)CC[NH+]1Cc1ccon1 ZINC001479642010 1098672453 /nfs/dbraw/zinc/67/24/53/1098672453.db2.gz WZOZXEKVBKHAHS-JKSUJKDBSA-N 2 2 336.480 2.122 10 0 EEAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCF)C2 ZINC001479738282 1098852013 /nfs/dbraw/zinc/85/20/13/1098852013.db2.gz ZNILKQWHXOUBAU-CVEARBPZSA-N 2 2 336.455 2.036 10 0 EEAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CCF)C2 ZINC001479738282 1098852033 /nfs/dbraw/zinc/85/20/33/1098852033.db2.gz ZNILKQWHXOUBAU-CVEARBPZSA-N 2 2 336.455 2.036 10 0 EEAELP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+][C@H]1CCc2ccccc21 ZINC001444359510 1098923596 /nfs/dbraw/zinc/92/35/96/1098923596.db2.gz UGXIQDGMAGQBJA-QAPCUYQASA-N 2 2 326.444 2.303 10 0 EEAELP CC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@H](C)OC ZINC001479844109 1099135330 /nfs/dbraw/zinc/13/53/30/1099135330.db2.gz YPZACXMVQIZZBS-HNNXBMFYSA-N 2 2 332.448 2.119 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@H](C)OC ZINC001479844109 1099135331 /nfs/dbraw/zinc/13/53/31/1099135331.db2.gz YPZACXMVQIZZBS-HNNXBMFYSA-N 2 2 332.448 2.119 10 0 EEAELP CO[C@@H](C[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CCCC1)C1CCCC1 ZINC001444529599 1099295848 /nfs/dbraw/zinc/29/58/48/1099295848.db2.gz VZJKDMKAIAATRC-KRWDZBQOSA-N 2 2 348.491 2.176 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)cc1 ZINC001444707321 1099564965 /nfs/dbraw/zinc/56/49/65/1099564965.db2.gz JWXJXJLWBFMQKJ-CQSZACIVSA-N 2 2 344.459 2.333 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3c[nH+]c[nH]3)C2)n1 ZINC001480207967 1099813243 /nfs/dbraw/zinc/81/32/43/1099813243.db2.gz PXWWPIVWOZKOBE-CALCHBBNSA-N 2 2 341.459 2.298 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C(C)C ZINC001444909335 1099978150 /nfs/dbraw/zinc/97/81/50/1099978150.db2.gz IGKPBHNYRYGDIC-YJBOKZPZSA-N 2 2 343.475 2.468 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21 ZINC001480391641 1100196999 /nfs/dbraw/zinc/19/69/99/1100196999.db2.gz DMZRYERMSHKCBS-UZXVEVPBSA-N 2 2 336.867 2.196 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21 ZINC001480391641 1100197003 /nfs/dbraw/zinc/19/70/03/1100197003.db2.gz DMZRYERMSHKCBS-UZXVEVPBSA-N 2 2 336.867 2.196 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001445074876 1100283787 /nfs/dbraw/zinc/28/37/87/1100283787.db2.gz MCJRQHZYQIDNIG-GOSISDBHSA-N 2 2 326.444 2.338 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001445074876 1100283796 /nfs/dbraw/zinc/28/37/96/1100283796.db2.gz MCJRQHZYQIDNIG-GOSISDBHSA-N 2 2 326.444 2.338 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)c(C)s1 ZINC001480546726 1100381246 /nfs/dbraw/zinc/38/12/46/1100381246.db2.gz SAFBIEVBCBHVSB-NEPJUHHUSA-N 2 2 335.477 2.202 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]CCOc1cc(C)ccc1C ZINC001480580555 1100426988 /nfs/dbraw/zinc/42/69/88/1100426988.db2.gz WBPLTHKXCZCCBU-HNNXBMFYSA-N 2 2 344.459 2.051 10 0 EEAELP COc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001496207126 1100747826 /nfs/dbraw/zinc/74/78/26/1100747826.db2.gz NLVWGUUVDAEYQT-AWEZNQCLSA-N 2 2 344.459 2.333 10 0 EEAELP CCOCC[NH2+][C@@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001496353888 1100947622 /nfs/dbraw/zinc/94/76/22/1100947622.db2.gz WRYPDUKWXCGXNB-DZGCQCFKSA-N 2 2 330.432 2.040 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001495376485 1101094862 /nfs/dbraw/zinc/09/48/62/1101094862.db2.gz DVCWOQNSZWJSBQ-LBPRGKRZSA-N 2 2 345.274 2.490 10 0 EEAELP CC(C)=CC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001496562648 1101164342 /nfs/dbraw/zinc/16/43/42/1101164342.db2.gz SUQRFLMOZWTINE-QZTJIDSGSA-N 2 2 347.507 2.487 10 0 EEAELP CC(C)=CC[NH2+][C@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001496562648 1101164345 /nfs/dbraw/zinc/16/43/45/1101164345.db2.gz SUQRFLMOZWTINE-QZTJIDSGSA-N 2 2 347.507 2.487 10 0 EEAELP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001495458861 1101171969 /nfs/dbraw/zinc/17/19/69/1101171969.db2.gz XGFGEZBNOICIAG-VGWMRTNUSA-N 2 2 336.455 2.211 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)C[NH2+]Cc2csc(C)n2)c[nH+]1 ZINC001495692585 1101446630 /nfs/dbraw/zinc/44/66/30/1101446630.db2.gz WLNVHCLOMZVDNP-GFCCVEGCSA-N 2 2 349.504 2.234 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]CC=C(Cl)Cl ZINC001496902279 1101692319 /nfs/dbraw/zinc/69/23/19/1101692319.db2.gz DJRRGEBVGCDXIH-CMPLNLGQSA-N 2 2 331.247 2.146 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001497213231 1102136751 /nfs/dbraw/zinc/13/67/51/1102136751.db2.gz AAAMLVKWEHCRFN-LLVKDONJSA-N 2 2 327.388 2.158 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccsc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001497217860 1102140646 /nfs/dbraw/zinc/14/06/46/1102140646.db2.gz MESXTOVGKQUXEI-DZGCQCFKSA-N 2 2 332.473 2.192 10 0 EEAELP Cc1cccnc1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001496172874 1102169567 /nfs/dbraw/zinc/16/95/67/1102169567.db2.gz QLWMOEFJHFOVRV-JKSUJKDBSA-N 2 2 329.448 2.174 10 0 EEAELP C[C@@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)Cc1c[nH+]cn1C ZINC001497305497 1102288101 /nfs/dbraw/zinc/28/81/01/1102288101.db2.gz YKTYHWNJGXGXJQ-HNNXBMFYSA-N 2 2 332.492 2.417 10 0 EEAELP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC001497487267 1102565903 /nfs/dbraw/zinc/56/59/03/1102565903.db2.gz WOQOEBHAXSOIOA-YFHOEESVSA-N 2 2 326.444 2.114 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001497693238 1102915176 /nfs/dbraw/zinc/91/51/76/1102915176.db2.gz VKNQZRQPPONCRR-KEGWNNHHSA-N 2 2 334.464 2.008 10 0 EEAELP Cc1conc1C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001497693238 1102915180 /nfs/dbraw/zinc/91/51/80/1102915180.db2.gz VKNQZRQPPONCRR-KEGWNNHHSA-N 2 2 334.464 2.008 10 0 EEAELP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccon1)[NH+](CC)CC ZINC001447772338 1103285376 /nfs/dbraw/zinc/28/53/76/1103285376.db2.gz NUYPKJBZKJXKSW-SJORKVTESA-N 2 2 336.480 2.218 10 0 EEAELP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccon1)[NH+](CC)CC ZINC001447772338 1103285390 /nfs/dbraw/zinc/28/53/90/1103285390.db2.gz NUYPKJBZKJXKSW-SJORKVTESA-N 2 2 336.480 2.218 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001494387027 1103972525 /nfs/dbraw/zinc/97/25/25/1103972525.db2.gz HPQJEWFAHPWQRI-CVEARBPZSA-N 2 2 348.491 2.014 10 0 EEAELP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1sccc1Cl ZINC001448148397 1104111264 /nfs/dbraw/zinc/11/12/64/1104111264.db2.gz PELUZIBLRSSKKF-LBPRGKRZSA-N 2 2 329.897 2.434 10 0 EEAELP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1sccc1Cl ZINC001448148397 1104111268 /nfs/dbraw/zinc/11/12/68/1104111268.db2.gz PELUZIBLRSSKKF-LBPRGKRZSA-N 2 2 329.897 2.434 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)C1 ZINC001448223594 1104208264 /nfs/dbraw/zinc/20/82/64/1104208264.db2.gz HELQCZSUMDNBKL-INIZCTEOSA-N 2 2 348.491 2.176 10 0 EEAELP C[N@H+](CC(=O)NCC1C[NH+](Cc2ccsc2)C1)Cc1ccccc1 ZINC001494635996 1104220308 /nfs/dbraw/zinc/22/03/08/1104220308.db2.gz QOYALJIXILNYQL-UHFFFAOYSA-N 2 2 343.496 2.428 10 0 EEAELP C[N@@H+](CC(=O)NCC1C[NH+](Cc2ccsc2)C1)Cc1ccccc1 ZINC001494635996 1104220318 /nfs/dbraw/zinc/22/03/18/1104220318.db2.gz QOYALJIXILNYQL-UHFFFAOYSA-N 2 2 343.496 2.428 10 0 EEAELP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001494833381 1104429475 /nfs/dbraw/zinc/42/94/75/1104429475.db2.gz FHJRTWALIBCDCA-RDJZCZTQSA-N 2 2 336.455 2.118 10 0 EEAELP CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001494833381 1104429481 /nfs/dbraw/zinc/42/94/81/1104429481.db2.gz FHJRTWALIBCDCA-RDJZCZTQSA-N 2 2 336.455 2.118 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)CCC[NH+]3CCCCC3)C2)co1 ZINC001494868463 1104477346 /nfs/dbraw/zinc/47/73/46/1104477346.db2.gz LZVRFFGUDAPPSA-SFHVURJKSA-N 2 2 348.491 2.282 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)CCC[NH+]3CCCCC3)C2)co1 ZINC001494868463 1104477350 /nfs/dbraw/zinc/47/73/50/1104477350.db2.gz LZVRFFGUDAPPSA-SFHVURJKSA-N 2 2 348.491 2.282 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC001480596958 1106735964 /nfs/dbraw/zinc/73/59/64/1106735964.db2.gz NFZATRRXWNQDPK-UONOGXRCSA-N 2 2 338.496 2.468 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ncc(C(C)(C)C)o1 ZINC001480596958 1106735973 /nfs/dbraw/zinc/73/59/73/1106735973.db2.gz NFZATRRXWNQDPK-UONOGXRCSA-N 2 2 338.496 2.468 10 0 EEAELP C[C@@H](C[NH2+]CCOC1CCC1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001498078055 1106895999 /nfs/dbraw/zinc/89/59/99/1106895999.db2.gz FMEBTBNYORCQBU-HNNXBMFYSA-N 2 2 342.443 2.149 10 0 EEAELP CC[N@H+](CCC[C@@H]1CCOC1)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001492993745 1107275661 /nfs/dbraw/zinc/27/56/61/1107275661.db2.gz WEEBFRPUYPKNOG-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP CC[N@@H+](CCC[C@@H]1CCOC1)CCNC(=O)c1cccc2[nH+]ccn21 ZINC001492993745 1107275672 /nfs/dbraw/zinc/27/56/72/1107275672.db2.gz WEEBFRPUYPKNOG-MRXNPFEDSA-N 2 2 344.459 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1CCOC1CCCCCC1 ZINC001493167246 1107627265 /nfs/dbraw/zinc/62/72/65/1107627265.db2.gz FNOKGGOLKVVFKK-KRWDZBQOSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1CCOC1CCCCCC1 ZINC001493167246 1107627272 /nfs/dbraw/zinc/62/72/72/1107627272.db2.gz FNOKGGOLKVVFKK-KRWDZBQOSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@H]1C[C@H](C[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001498588459 1107767442 /nfs/dbraw/zinc/76/74/42/1107767442.db2.gz UBQUSWOLWCRECT-LSDHHAIUSA-N 2 2 344.459 2.430 10 0 EEAELP CN(CCC[NH2+]Cc1csc(C(C)(C)C)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001498618344 1107819633 /nfs/dbraw/zinc/81/96/33/1107819633.db2.gz AGDFMOQBRAUHGW-UHFFFAOYSA-N 2 2 349.504 2.345 10 0 EEAELP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493601675 1108385055 /nfs/dbraw/zinc/38/50/55/1108385055.db2.gz XTLVKVYEMQKAMO-GNJLHFKMSA-N 2 2 338.455 2.207 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001499050420 1108507621 /nfs/dbraw/zinc/50/76/21/1108507621.db2.gz ODECKHDUELMGIJ-GXTWGEPZSA-N 2 2 325.403 2.168 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001499050420 1108507634 /nfs/dbraw/zinc/50/76/34/1108507634.db2.gz ODECKHDUELMGIJ-GXTWGEPZSA-N 2 2 325.403 2.168 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)CCCn2cc[nH+]c2C)c(C)s1 ZINC001493731760 1108587479 /nfs/dbraw/zinc/58/74/79/1108587479.db2.gz GRAUHCKLDCLWME-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)N[C@H]1CCCc2ccccc2C1 ZINC001471485913 1110523219 /nfs/dbraw/zinc/52/32/19/1110523219.db2.gz PAEDJNTZOOPYTC-IBGZPJMESA-N 2 2 346.519 2.117 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)N[C@H]1CCCc2ccccc2C1 ZINC001471485913 1110523220 /nfs/dbraw/zinc/52/32/20/1110523220.db2.gz PAEDJNTZOOPYTC-IBGZPJMESA-N 2 2 346.519 2.117 10 0 EEAELP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001472113709 1110543535 /nfs/dbraw/zinc/54/35/35/1110543535.db2.gz ADUHLWIETMJFLV-WBVHZDCISA-N 2 2 332.492 2.227 10 0 EEAELP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001473759866 1110579938 /nfs/dbraw/zinc/57/99/38/1110579938.db2.gz QKLRSYWUQAZQHM-IRXDYDNUSA-N 2 2 332.492 2.485 10 0 EEAELP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001473759866 1110579939 /nfs/dbraw/zinc/57/99/39/1110579939.db2.gz QKLRSYWUQAZQHM-IRXDYDNUSA-N 2 2 332.492 2.485 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001479223913 1110662313 /nfs/dbraw/zinc/66/23/13/1110662313.db2.gz FTVICJXIBZVICU-ADDHZHGLSA-N 2 2 330.476 2.335 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[N@H+](CCCF)CCC1(F)F)n1cc[nH+]c1 ZINC001500616817 1112979793 /nfs/dbraw/zinc/97/97/93/1112979793.db2.gz KNPDXQNUIVTAHR-KBPBESRZSA-N 2 2 346.397 2.267 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[N@@H+](CCCF)CCC1(F)F)n1cc[nH+]c1 ZINC001500616817 1112979797 /nfs/dbraw/zinc/97/97/97/1112979797.db2.gz KNPDXQNUIVTAHR-KBPBESRZSA-N 2 2 346.397 2.267 10 0 EEAELP CC(C)C[NH2+]C1CCN(CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001501261907 1113268362 /nfs/dbraw/zinc/26/83/62/1113268362.db2.gz PDUHAMQJSRIKBR-UHFFFAOYSA-N 2 2 343.475 2.003 10 0 EEAELP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001501619019 1113401619 /nfs/dbraw/zinc/40/16/19/1113401619.db2.gz PEHIZTMJZLDHJX-BRWVUGGUSA-N 2 2 330.476 2.318 10 0 EEAELP CC(C)c1cnc(C[NH2+]C2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC2)o1 ZINC001502017335 1113560855 /nfs/dbraw/zinc/56/08/55/1113560855.db2.gz GGEPOGZLXVXMFB-HNNXBMFYSA-N 2 2 348.491 2.268 10 0 EEAELP CC(C)c1cnc(C[NH2+]C2(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)CCC2)o1 ZINC001502017335 1113560857 /nfs/dbraw/zinc/56/08/57/1113560857.db2.gz GGEPOGZLXVXMFB-HNNXBMFYSA-N 2 2 348.491 2.268 10 0 EEAELP C[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]Cc1ccsc1 ZINC001505640422 1114102452 /nfs/dbraw/zinc/10/24/52/1114102452.db2.gz GIBUEIOBOJRFHW-NWDGAFQWSA-N 2 2 336.461 2.094 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@H]2CC[C@H](C)O2)CCCCC1 ZINC001506521106 1114670497 /nfs/dbraw/zinc/67/04/97/1114670497.db2.gz BGSMVJDEUJEOOP-GOEBONIOSA-N 2 2 348.491 2.237 10 0 EEAELP Cc1cnc(C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)s1 ZINC001506521292 1114670628 /nfs/dbraw/zinc/67/06/28/1114670628.db2.gz MLSOOHLNSIYRET-UHFFFAOYSA-N 2 2 347.488 2.326 10 0 EEAELP Cc1ncc(C[N@@H+]2C[C@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)C2)s1 ZINC001506743654 1114855022 /nfs/dbraw/zinc/85/50/22/1114855022.db2.gz JISRVDUKIDMRLQ-HNNXBMFYSA-N 2 2 347.488 2.065 10 0 EEAELP Cc1ncc(C[N@H+]2C[C@H](NC(=O)CCn3cc[nH+]c3)C(C)(C)C2)s1 ZINC001506743654 1114855027 /nfs/dbraw/zinc/85/50/27/1114855027.db2.gz JISRVDUKIDMRLQ-HNNXBMFYSA-N 2 2 347.488 2.065 10 0 EEAELP CCCCC[NH2+][C@H](C)[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CCO1 ZINC001506834164 1114902082 /nfs/dbraw/zinc/90/20/82/1114902082.db2.gz MLFCLXWJYJWDDB-QAPCUYQASA-N 2 2 349.475 2.028 10 0 EEAELP Cc1ccccc1C[NH2+]CCC[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001506945999 1114994545 /nfs/dbraw/zinc/99/45/45/1114994545.db2.gz IOKSLPSOUMCWJL-INIZCTEOSA-N 2 2 328.460 2.346 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(F)c1 ZINC001507094238 1115104880 /nfs/dbraw/zinc/10/48/80/1115104880.db2.gz UDILGDNREMVKAA-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1conc1C[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001507386871 1115245245 /nfs/dbraw/zinc/24/52/45/1115245245.db2.gz RBTHTYTZJORBNW-SJORKVTESA-N 2 2 348.491 2.328 10 0 EEAELP Cc1conc1C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001507386871 1115245248 /nfs/dbraw/zinc/24/52/48/1115245248.db2.gz RBTHTYTZJORBNW-SJORKVTESA-N 2 2 348.491 2.328 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1ccns1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001507856135 1115360290 /nfs/dbraw/zinc/36/02/90/1115360290.db2.gz WLSWCLDBTNZOKW-OAHLLOKOSA-N 2 2 338.521 2.154 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1ccns1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001507856135 1115360293 /nfs/dbraw/zinc/36/02/93/1115360293.db2.gz WLSWCLDBTNZOKW-OAHLLOKOSA-N 2 2 338.521 2.154 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1ccns1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507856135 1115360297 /nfs/dbraw/zinc/36/02/97/1115360297.db2.gz WLSWCLDBTNZOKW-OAHLLOKOSA-N 2 2 338.521 2.154 10 0 EEAELP CC(C)N(CC[NH+](C)Cc1ccns1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001507856135 1115360300 /nfs/dbraw/zinc/36/03/00/1115360300.db2.gz WLSWCLDBTNZOKW-OAHLLOKOSA-N 2 2 338.521 2.154 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]CCCC1CCC1 ZINC001568179532 1124342322 /nfs/dbraw/zinc/34/23/22/1124342322.db2.gz WMQQXQCTGCDPNT-WBVHZDCISA-N 2 2 332.492 2.368 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CC=C(Cl)Cl ZINC001568179694 1124342491 /nfs/dbraw/zinc/34/24/91/1124342491.db2.gz XXPFHCBSUHWEHU-RYUDHWBXSA-N 2 2 345.274 2.106 10 0 EEAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1[NH2+]CCCCC(F)(F)F ZINC001568372168 1124443592 /nfs/dbraw/zinc/44/35/92/1124443592.db2.gz RYMMWMZXKDEIQV-ZIAGYGMSSA-N 2 2 346.397 2.442 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCC[C@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001568391015 1124460075 /nfs/dbraw/zinc/46/00/75/1124460075.db2.gz WGWVTFYVNYDRBH-ROUUACIJSA-N 2 2 348.491 2.203 10 0 EEAELP Cc1conc1C[NH2+][C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001568454183 1124519362 /nfs/dbraw/zinc/51/93/62/1124519362.db2.gz GUAZADWSAQDWBB-MRXNPFEDSA-N 2 2 341.415 2.404 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)CC[NH2+]Cc1cccnc1C ZINC001568645084 1124657447 /nfs/dbraw/zinc/65/74/47/1124657447.db2.gz APXRPPBLRZHQJZ-AWEZNQCLSA-N 2 2 342.443 2.021 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001569064989 1125076411 /nfs/dbraw/zinc/07/64/11/1125076411.db2.gz RAFYKFCTONOUTA-FSNWXROXSA-N 2 2 339.439 2.440 10 0 EEAELP C[C@@H](C[NH2+]CCc1c(F)cccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001569100845 1125098590 /nfs/dbraw/zinc/09/85/90/1125098590.db2.gz JSSQKEVEDKHZKO-LBPRGKRZSA-N 2 2 338.814 2.013 10 0 EEAELP C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000050171141 214047732 /nfs/dbraw/zinc/04/77/32/214047732.db2.gz QMTYBWRLCUHSMG-OAHLLOKOSA-N 2 2 327.432 2.119 10 0 EEAELP C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccnc(-n3cc[nH+]c3)c2)C1 ZINC000050171141 214047734 /nfs/dbraw/zinc/04/77/34/214047734.db2.gz QMTYBWRLCUHSMG-OAHLLOKOSA-N 2 2 327.432 2.119 10 0 EEAELP O=C(C[NH2+]CCC[NH+]1CCCC1)Nc1cccc(Br)c1 ZINC000058552687 214594307 /nfs/dbraw/zinc/59/43/07/214594307.db2.gz YAUUWKWQJVQBBM-UHFFFAOYSA-N 2 2 340.265 2.463 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000182243933 539589491 /nfs/dbraw/zinc/58/94/91/539589491.db2.gz CVMGDAOPDOLCLD-AWEZNQCLSA-N 2 2 346.393 2.471 10 0 EEAELP CNc1ccccc1C(=O)NC[C@H]1CC[N@H+](Cc2c[nH+]c(C)[nH]2)C1 ZINC000067786917 215212625 /nfs/dbraw/zinc/21/26/25/215212625.db2.gz PDRQQQSRWMABMS-CQSZACIVSA-N 2 2 327.432 2.012 10 0 EEAELP CNc1ccccc1C(=O)NC[C@H]1CC[N@@H+](Cc2c[nH+]c(C)[nH]2)C1 ZINC000067786917 215212627 /nfs/dbraw/zinc/21/26/27/215212627.db2.gz PDRQQQSRWMABMS-CQSZACIVSA-N 2 2 327.432 2.012 10 0 EEAELP C[C@H]1C[N@H+](Cc2cnc(NC(=O)NC(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272204 539992470 /nfs/dbraw/zinc/99/24/70/539992470.db2.gz NFRMVNWGXQPJJO-CMPLNLGQSA-N 2 2 325.482 2.232 10 0 EEAELP C[C@H]1C[N@@H+](Cc2cnc(NC(=O)NC(C)(C)C)s2)CC[C@H]1[NH3+] ZINC000725272204 539992473 /nfs/dbraw/zinc/99/24/73/539992473.db2.gz NFRMVNWGXQPJJO-CMPLNLGQSA-N 2 2 325.482 2.232 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416175500 239099312 /nfs/dbraw/zinc/09/93/12/239099312.db2.gz DXZBEYJMWNUBTA-SFHVURJKSA-N 2 2 338.455 2.184 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416175500 239099315 /nfs/dbraw/zinc/09/93/15/239099315.db2.gz DXZBEYJMWNUBTA-SFHVURJKSA-N 2 2 338.455 2.184 10 0 EEAELP Cc1ccccc1C1(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CCOCC1 ZINC000422875713 240272354 /nfs/dbraw/zinc/27/23/54/240272354.db2.gz CYBJRZQGYFVPHA-VQTJNVASSA-N 2 2 344.499 2.400 10 0 EEAELP c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CCC[N@H+](Cc3ccccc3)C1)CN2 ZINC000229543078 242175333 /nfs/dbraw/zinc/17/53/33/242175333.db2.gz KTOIJKKDXJUIJQ-ZWKOTPCHSA-N 2 2 325.460 2.179 10 0 EEAELP c1cc2n(n1)C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CN2 ZINC000229543078 242175337 /nfs/dbraw/zinc/17/53/37/242175337.db2.gz KTOIJKKDXJUIJQ-ZWKOTPCHSA-N 2 2 325.460 2.179 10 0 EEAELP Cc1[nH+]ccn1CCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000265150972 247250556 /nfs/dbraw/zinc/25/05/56/247250556.db2.gz BLOGIJIDWLIXHM-UHFFFAOYSA-N 2 2 347.438 2.282 10 0 EEAELP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)[nH]1 ZINC000092812518 218169640 /nfs/dbraw/zinc/16/96/40/218169640.db2.gz VMKOZHNCMVQRJX-CQSZACIVSA-N 2 2 327.432 2.046 10 0 EEAELP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)[nH]1 ZINC000092812518 218169641 /nfs/dbraw/zinc/16/96/41/218169641.db2.gz VMKOZHNCMVQRJX-CQSZACIVSA-N 2 2 327.432 2.046 10 0 EEAELP CCO[C@@H](C)c1noc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000120724569 142395833 /nfs/dbraw/zinc/39/58/33/142395833.db2.gz FQKOZLDRIHCDED-ZDUSSCGKSA-N 2 2 333.436 2.355 10 0 EEAELP C[C@@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1C[NH2+]C1 ZINC000262422574 152279342 /nfs/dbraw/zinc/27/93/42/152279342.db2.gz RXFVFJZVBOYETH-RBSFLKMASA-N 2 2 331.460 2.090 10 0 EEAELP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263057112 152365728 /nfs/dbraw/zinc/36/57/28/152365728.db2.gz UZCOYONMMOVIQG-HOTGVXAUSA-N 2 2 337.414 2.155 10 0 EEAELP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263057112 152365730 /nfs/dbraw/zinc/36/57/30/152365730.db2.gz UZCOYONMMOVIQG-HOTGVXAUSA-N 2 2 337.414 2.155 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000089632905 159183024 /nfs/dbraw/zinc/18/30/24/159183024.db2.gz URWQRIJZOBVXCO-CCNLRDMRSA-N 2 2 336.501 2.205 10 0 EEAELP C[C@H](CS(C)(=O)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000089632905 159183026 /nfs/dbraw/zinc/18/30/26/159183026.db2.gz URWQRIJZOBVXCO-CCNLRDMRSA-N 2 2 336.501 2.205 10 0 EEAELP CCc1nn(C)c(CC)c1C[NH+]1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000092091323 159214376 /nfs/dbraw/zinc/21/43/76/159214376.db2.gz SQGPBOLYJXCWOO-HNNXBMFYSA-N 2 2 334.508 2.230 10 0 EEAELP CCc1nn(C)c(CC)c1C[NH+]1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000092091323 159214378 /nfs/dbraw/zinc/21/43/78/159214378.db2.gz SQGPBOLYJXCWOO-HNNXBMFYSA-N 2 2 334.508 2.230 10 0 EEAELP C[C@H](CNC(=O)N1CCCN(c2cccc[nH+]2)CC1)C[NH+]1CCCC1 ZINC000186529061 160073813 /nfs/dbraw/zinc/07/38/13/160073813.db2.gz SJFPMVGVYAIQIQ-QGZVFWFLSA-N 2 2 345.491 2.035 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1 ZINC000246493210 160281152 /nfs/dbraw/zinc/28/11/52/160281152.db2.gz HHRRKWQWFUVIHV-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccccc1 ZINC000246493210 160281154 /nfs/dbraw/zinc/28/11/54/160281154.db2.gz HHRRKWQWFUVIHV-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccccc1 ZINC000246493210 160281156 /nfs/dbraw/zinc/28/11/56/160281156.db2.gz HHRRKWQWFUVIHV-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccccc1 ZINC000246493210 160281158 /nfs/dbraw/zinc/28/11/58/160281158.db2.gz HHRRKWQWFUVIHV-PKOBYXMFSA-N 2 2 327.472 2.252 10 0 EEAELP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000247288475 160318725 /nfs/dbraw/zinc/31/87/25/160318725.db2.gz ZYOQKINJIIFBCB-WMZOPIPTSA-N 2 2 347.528 2.235 10 0 EEAELP CC[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000247288475 160318727 /nfs/dbraw/zinc/31/87/27/160318727.db2.gz ZYOQKINJIIFBCB-WMZOPIPTSA-N 2 2 347.528 2.235 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247622388 160329601 /nfs/dbraw/zinc/32/96/01/160329601.db2.gz NHKABSIKWUNOME-WMLDXEAASA-N 2 2 328.416 2.413 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000247622388 160329603 /nfs/dbraw/zinc/32/96/03/160329603.db2.gz NHKABSIKWUNOME-WMLDXEAASA-N 2 2 328.416 2.413 10 0 EEAELP Cc1cccn2c(=O)cc(C[N@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)nc12 ZINC000247772413 160331717 /nfs/dbraw/zinc/33/17/17/160331717.db2.gz WHNSJMJSKFSUGZ-PBHICJAKSA-N 2 2 337.427 2.283 10 0 EEAELP Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)nc12 ZINC000247772413 160331718 /nfs/dbraw/zinc/33/17/18/160331718.db2.gz WHNSJMJSKFSUGZ-PBHICJAKSA-N 2 2 337.427 2.283 10 0 EEAELP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000342806218 161092169 /nfs/dbraw/zinc/09/21/69/161092169.db2.gz OISZMIYPTGGAFS-IPMKNSEASA-N 2 2 334.504 2.399 10 0 EEAELP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000342806218 161092170 /nfs/dbraw/zinc/09/21/70/161092170.db2.gz OISZMIYPTGGAFS-IPMKNSEASA-N 2 2 334.504 2.399 10 0 EEAELP CCc1cncc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000345258520 161286196 /nfs/dbraw/zinc/28/61/96/161286196.db2.gz ZZIHREZZXIQCRT-DFNIBXOVSA-N 2 2 342.487 2.027 10 0 EEAELP CCc1cncc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000345258520 161286197 /nfs/dbraw/zinc/28/61/97/161286197.db2.gz ZZIHREZZXIQCRT-DFNIBXOVSA-N 2 2 342.487 2.027 10 0 EEAELP COC(=O)[C@H]1C[C@H](OC)CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346313889 161362177 /nfs/dbraw/zinc/36/21/77/161362177.db2.gz HIJHQKBXEYYFJS-UKRRQHHQSA-N 2 2 335.429 2.086 10 0 EEAELP COC(=O)[C@H]1C[C@H](OC)CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346313889 161362178 /nfs/dbraw/zinc/36/21/78/161362178.db2.gz HIJHQKBXEYYFJS-UKRRQHHQSA-N 2 2 335.429 2.086 10 0 EEAELP C[C@@H]1CC[C@H](CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000355210488 163111444 /nfs/dbraw/zinc/11/14/44/163111444.db2.gz FYJXKDSYJRLODB-AQVVAKNZSA-N 2 2 348.535 2.375 10 0 EEAELP C[C@@H]1CC[C@H](CNC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000355210488 163111448 /nfs/dbraw/zinc/11/14/48/163111448.db2.gz FYJXKDSYJRLODB-AQVVAKNZSA-N 2 2 348.535 2.375 10 0 EEAELP C[NH+]1CCC(CNC(=O)COC2CCCC2)([NH+]2CCCCC2)CC1 ZINC000358901329 164012299 /nfs/dbraw/zinc/01/22/99/164012299.db2.gz JBUDNXFFHAEELG-UHFFFAOYSA-N 2 2 337.508 2.012 10 0 EEAELP Cc1nc(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c2c([nH+]1)CCCC2 ZINC000359718790 164159137 /nfs/dbraw/zinc/15/91/37/164159137.db2.gz QYFUVLVUAGFETE-KRWDZBQOSA-N 2 2 347.507 2.168 10 0 EEAELP CN(C(=O)NCCC1CCCC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368641353 166096476 /nfs/dbraw/zinc/09/64/76/166096476.db2.gz GDGJUFHPRUPEJH-SFHVURJKSA-N 2 2 336.524 2.377 10 0 EEAELP CN(C(=O)NCCC1CCCC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368641353 166096478 /nfs/dbraw/zinc/09/64/78/166096478.db2.gz GDGJUFHPRUPEJH-SFHVURJKSA-N 2 2 336.524 2.377 10 0 EEAELP CCOCc1ccc(CNC(=O)C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123112596 222218925 /nfs/dbraw/zinc/21/89/25/222218925.db2.gz GZIYSPIZJDEWMJ-APWZRJJASA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123112596 222218928 /nfs/dbraw/zinc/21/89/28/222218928.db2.gz GZIYSPIZJDEWMJ-APWZRJJASA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123112596 222218931 /nfs/dbraw/zinc/21/89/31/222218931.db2.gz GZIYSPIZJDEWMJ-APWZRJJASA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccc(CNC(=O)C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123112596 222218934 /nfs/dbraw/zinc/21/89/34/222218934.db2.gz GZIYSPIZJDEWMJ-APWZRJJASA-N 2 2 347.503 2.254 10 0 EEAELP C[N@@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126611 275380615 /nfs/dbraw/zinc/38/06/15/275380615.db2.gz KVLYPVMISLKJQX-WOJBJXKFSA-N 2 2 327.472 2.282 10 0 EEAELP C[N@H+]1CC[C@@]2(CC[NH+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126611 275380617 /nfs/dbraw/zinc/38/06/17/275380617.db2.gz KVLYPVMISLKJQX-WOJBJXKFSA-N 2 2 327.472 2.282 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126611 275380620 /nfs/dbraw/zinc/38/06/20/275380620.db2.gz KVLYPVMISLKJQX-WOJBJXKFSA-N 2 2 327.472 2.282 10 0 EEAELP C[NH+]1CC[C@@]2(CC[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CC3)C2)C1 ZINC000292126611 275380621 /nfs/dbraw/zinc/38/06/21/275380621.db2.gz KVLYPVMISLKJQX-WOJBJXKFSA-N 2 2 327.472 2.282 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000358577436 276113523 /nfs/dbraw/zinc/11/35/23/276113523.db2.gz LQASTDDGIGNKKI-CJNGLKHVSA-N 2 2 345.447 2.242 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000358577436 276113525 /nfs/dbraw/zinc/11/35/25/276113525.db2.gz LQASTDDGIGNKKI-CJNGLKHVSA-N 2 2 345.447 2.242 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352376584 277221845 /nfs/dbraw/zinc/22/18/45/277221845.db2.gz RXRWPESHRYHPRJ-QGZVFWFLSA-N 2 2 328.460 2.288 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352376584 277221847 /nfs/dbraw/zinc/22/18/47/277221847.db2.gz RXRWPESHRYHPRJ-QGZVFWFLSA-N 2 2 328.460 2.288 10 0 EEAELP C[C@@H]1CN(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000337493334 288170058 /nfs/dbraw/zinc/17/00/58/288170058.db2.gz PDKUNDJBLDMRPA-IAGOWNOFSA-N 2 2 332.492 2.120 10 0 EEAELP C[C@@H]1CN(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CCO1 ZINC000337493334 288170059 /nfs/dbraw/zinc/17/00/59/288170059.db2.gz PDKUNDJBLDMRPA-IAGOWNOFSA-N 2 2 332.492 2.120 10 0 EEAELP Cn1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C(C)(C)C)n1 ZINC000180074997 294236158 /nfs/dbraw/zinc/23/61/58/294236158.db2.gz SGJKHGSKZAENMF-SFHVURJKSA-N 2 2 347.551 2.320 10 0 EEAELP Cn1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C(C)(C)C)n1 ZINC000180074997 294236160 /nfs/dbraw/zinc/23/61/60/294236160.db2.gz SGJKHGSKZAENMF-SFHVURJKSA-N 2 2 347.551 2.320 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000376280949 302322473 /nfs/dbraw/zinc/32/24/73/302322473.db2.gz JIKJKEZEINGLPM-SOUVJXGZSA-N 2 2 333.480 2.083 10 0 EEAELP O=C(NCCc1cn2c([nH+]1)CCCC2)NC1CC([NH+]2CCCCC2)C1 ZINC000526968367 317134320 /nfs/dbraw/zinc/13/43/20/317134320.db2.gz ASLHVZOJZOHEQC-UHFFFAOYSA-N 2 2 345.491 2.078 10 0 EEAELP COc1cccc([C@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1 ZINC000544016451 318178576 /nfs/dbraw/zinc/17/85/76/318178576.db2.gz GXDQUUAGAQKQGX-WMLDXEAASA-N 2 2 342.443 2.271 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563958260 319059419 /nfs/dbraw/zinc/05/94/19/319059419.db2.gz OLOBODLCNSOAFJ-LIRRHRJNSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000563958260 319059422 /nfs/dbraw/zinc/05/94/22/319059422.db2.gz OLOBODLCNSOAFJ-LIRRHRJNSA-N 2 2 347.459 2.106 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)Cn1cc[nH+]c1)c1cccc(OC)c1 ZINC000564637885 319096000 /nfs/dbraw/zinc/09/60/00/319096000.db2.gz GJYURTVBGIKNDP-KRWDZBQOSA-N 2 2 330.432 2.091 10 0 EEAELP CC(C)c1ccccc1OC[C@H](O)C[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000569332473 319566964 /nfs/dbraw/zinc/56/69/64/319566964.db2.gz SHMZBNIEFVFVLE-MRXNPFEDSA-N 2 2 346.475 2.139 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC2CC[NH2+]CC2)c(C)c1 ZINC000569676913 319597785 /nfs/dbraw/zinc/59/77/85/319597785.db2.gz LXFTYJINJFLZPF-GOSISDBHSA-N 2 2 341.459 2.292 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2sccc2Cl)C1=O ZINC000576053767 320137361 /nfs/dbraw/zinc/13/73/61/320137361.db2.gz JANBFMZJRNYHRB-GFCCVEGCSA-N 2 2 338.864 2.416 10 0 EEAELP CCn1c(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)nc2cc(F)ccc21 ZINC000577505970 320259890 /nfs/dbraw/zinc/25/98/90/320259890.db2.gz RKEYTONZICGWCS-UHFFFAOYSA-N 2 2 328.395 2.241 10 0 EEAELP Cn1c[nH+]cc1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000577925264 320283782 /nfs/dbraw/zinc/28/37/82/320283782.db2.gz DCCQPYGVHHRHNS-UHFFFAOYSA-N 2 2 341.459 2.405 10 0 EEAELP C[NH+](C)[C@H](CNc1cc[nH+]c(N2CCOCC2)n1)c1ccsc1 ZINC000542766139 448719194 /nfs/dbraw/zinc/71/91/94/448719194.db2.gz GRHKMTCTNOUKOF-CQSZACIVSA-N 2 2 333.461 2.090 10 0 EEAELP CN1CC[NH+](CCCCNc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623853836 450615606 /nfs/dbraw/zinc/61/56/06/450615606.db2.gz IZLRDUZHUWVPSU-UHFFFAOYSA-N 2 2 338.459 2.322 10 0 EEAELP OC[C@@H](C[NH+]1CCCCC1)Nc1nc2ccccc2n2c[nH+]cc12 ZINC000624209784 450747199 /nfs/dbraw/zinc/74/71/99/450747199.db2.gz RIMBUGRPJQHJEM-CQSZACIVSA-N 2 2 325.416 2.141 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000127426564 462551444 /nfs/dbraw/zinc/55/14/44/462551444.db2.gz JMSUNLXZFWGFOO-VQIMIIECSA-N 2 2 345.487 2.074 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)c2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000127426564 462551450 /nfs/dbraw/zinc/55/14/50/462551450.db2.gz JMSUNLXZFWGFOO-VQIMIIECSA-N 2 2 345.487 2.074 10 0 EEAELP Cc1nc2[nH]ccc2c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000339356144 465221369 /nfs/dbraw/zinc/22/13/69/465221369.db2.gz AZKHNFSQDRIYQN-XYPWUTKMSA-N 2 2 340.475 2.014 10 0 EEAELP Cc1nc2[nH]ccc2c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000339356144 465221370 /nfs/dbraw/zinc/22/13/70/465221370.db2.gz AZKHNFSQDRIYQN-XYPWUTKMSA-N 2 2 340.475 2.014 10 0 EEAELP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000339428729 465266471 /nfs/dbraw/zinc/26/64/71/465266471.db2.gz LBQKESUXDVVUPO-FQEVSTJZSA-N 2 2 340.471 2.041 10 0 EEAELP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000339428729 465266479 /nfs/dbraw/zinc/26/64/79/465266479.db2.gz LBQKESUXDVVUPO-FQEVSTJZSA-N 2 2 340.471 2.041 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000339428729 465266487 /nfs/dbraw/zinc/26/64/87/465266487.db2.gz LBQKESUXDVVUPO-FQEVSTJZSA-N 2 2 340.471 2.041 10 0 EEAELP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)N3CCC(c4ccccc4)=N3)C2)C1 ZINC000339428729 465266491 /nfs/dbraw/zinc/26/64/91/465266491.db2.gz LBQKESUXDVVUPO-FQEVSTJZSA-N 2 2 340.471 2.041 10 0 EEAELP CC1(C)C[NH+](CC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000568207039 468296420 /nfs/dbraw/zinc/29/64/20/468296420.db2.gz WKWUMKZJULGFFP-UHFFFAOYSA-N 2 2 335.879 2.156 10 0 EEAELP CC1(C)C[NH+](CC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000568207039 468296425 /nfs/dbraw/zinc/29/64/25/468296425.db2.gz WKWUMKZJULGFFP-UHFFFAOYSA-N 2 2 335.879 2.156 10 0 EEAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@]2(CC=CCC2)C1)[NH+]1CCOCC1 ZINC000114493969 462656172 /nfs/dbraw/zinc/65/61/72/462656172.db2.gz YUMXNILWFLARCJ-HXUWFJFHSA-N 2 2 349.519 2.036 10 0 EEAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@]2(CC=CCC2)C1)[NH+]1CCOCC1 ZINC000114493969 462656176 /nfs/dbraw/zinc/65/61/76/462656176.db2.gz YUMXNILWFLARCJ-HXUWFJFHSA-N 2 2 349.519 2.036 10 0 EEAELP CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000090410492 462789322 /nfs/dbraw/zinc/78/93/22/462789322.db2.gz SVNHQGSOWSPFKT-ZBFHGGJFSA-N 2 2 327.432 2.327 10 0 EEAELP CC[C@@H]1CN(Cc2c[nH+]c(C)n2-c2ccccc2)CC[N@H+]1C[C@@H](C)O ZINC000120724209 463031571 /nfs/dbraw/zinc/03/15/71/463031571.db2.gz OLFZRQXBFVWVBK-SJLPKXTDSA-N 2 2 342.487 2.458 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000052856972 463112491 /nfs/dbraw/zinc/11/24/91/463112491.db2.gz USHSDPJRUARUJI-KSZLIROESA-N 2 2 345.487 2.001 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000052856972 463112499 /nfs/dbraw/zinc/11/24/99/463112499.db2.gz USHSDPJRUARUJI-KSZLIROESA-N 2 2 345.487 2.001 10 0 EEAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[NH+](C2CC2)CC1 ZINC000105190018 463442586 /nfs/dbraw/zinc/44/25/86/463442586.db2.gz NCYVKPFCZGQRDB-UHFFFAOYSA-N 2 2 343.406 2.001 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C(=O)N1CCc2sccc2C1 ZINC000083927582 463567985 /nfs/dbraw/zinc/56/79/85/463567985.db2.gz FFAFVCVNMOZYDP-UONOGXRCSA-N 2 2 344.484 2.385 10 0 EEAELP CC[N@@H+]1CCC[C@@H](Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1 ZINC000112075984 463689906 /nfs/dbraw/zinc/68/99/06/463689906.db2.gz UKMARNOGMMOSJP-LLVKDONJSA-N 2 2 331.420 2.125 10 0 EEAELP CC[N@H+]1CCC[C@@H](Nc2nc(N)c3cc(OC)c(OC)cc3[nH+]2)C1 ZINC000112075984 463689908 /nfs/dbraw/zinc/68/99/08/463689908.db2.gz UKMARNOGMMOSJP-LLVKDONJSA-N 2 2 331.420 2.125 10 0 EEAELP Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)on2)cn1 ZINC000185011608 463736296 /nfs/dbraw/zinc/73/62/96/463736296.db2.gz XEORIARPVPHNMG-HNNXBMFYSA-N 2 2 329.448 2.383 10 0 EEAELP Cn1cc(-c2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)on2)cn1 ZINC000185011608 463736302 /nfs/dbraw/zinc/73/63/02/463736302.db2.gz XEORIARPVPHNMG-HNNXBMFYSA-N 2 2 329.448 2.383 10 0 EEAELP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000177747927 463782389 /nfs/dbraw/zinc/78/23/89/463782389.db2.gz CYQCXGSWWFEGHM-MGPUTAFESA-N 2 2 341.503 2.475 10 0 EEAELP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000177747927 463782395 /nfs/dbraw/zinc/78/23/95/463782395.db2.gz CYQCXGSWWFEGHM-MGPUTAFESA-N 2 2 341.503 2.475 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000269029851 463849807 /nfs/dbraw/zinc/84/98/07/463849807.db2.gz RYHVAICBLUKWPJ-SFHLNBCPSA-N 3 2 345.531 2.455 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000269029851 463849813 /nfs/dbraw/zinc/84/98/13/463849813.db2.gz RYHVAICBLUKWPJ-SFHLNBCPSA-N 3 2 345.531 2.455 10 0 EEAELP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000262261194 463984828 /nfs/dbraw/zinc/98/48/28/463984828.db2.gz RFMJKPHSLBLSRG-GPMSIDNRSA-N 2 2 340.427 2.343 10 0 EEAELP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000195282202 464030707 /nfs/dbraw/zinc/03/07/07/464030707.db2.gz NAIOSBHTCRQUBN-PKOBYXMFSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000195282202 464030712 /nfs/dbraw/zinc/03/07/12/464030712.db2.gz NAIOSBHTCRQUBN-PKOBYXMFSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000195282202 464030717 /nfs/dbraw/zinc/03/07/17/464030717.db2.gz NAIOSBHTCRQUBN-PKOBYXMFSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000195282202 464030723 /nfs/dbraw/zinc/03/07/23/464030723.db2.gz NAIOSBHTCRQUBN-PKOBYXMFSA-N 2 2 344.503 2.094 10 0 EEAELP COC(=O)c1ccc([C@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)o1 ZINC000222196447 464127212 /nfs/dbraw/zinc/12/72/12/464127212.db2.gz DSXWHFGSFQVXCS-JKSUJKDBSA-N 2 2 349.475 2.229 10 0 EEAELP COC(=O)c1ccc([C@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)o1 ZINC000222196447 464127215 /nfs/dbraw/zinc/12/72/15/464127215.db2.gz DSXWHFGSFQVXCS-JKSUJKDBSA-N 2 2 349.475 2.229 10 0 EEAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000272190753 464511653 /nfs/dbraw/zinc/51/16/53/464511653.db2.gz MGYOURLITNFQLS-QGZVFWFLSA-N 2 2 349.438 2.170 10 0 EEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000246186727 464556264 /nfs/dbraw/zinc/55/62/64/464556264.db2.gz CRNBWIWRIDAATM-JFRXWTBNSA-N 2 2 342.487 2.208 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000175728790 464610933 /nfs/dbraw/zinc/61/09/33/464610933.db2.gz COYMNIXMQRUHIJ-APWZRJJASA-N 2 2 329.488 2.233 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000175728790 464610938 /nfs/dbraw/zinc/61/09/38/464610938.db2.gz COYMNIXMQRUHIJ-APWZRJJASA-N 2 2 329.488 2.233 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000175728790 464610942 /nfs/dbraw/zinc/61/09/42/464610942.db2.gz COYMNIXMQRUHIJ-APWZRJJASA-N 2 2 329.488 2.233 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000175728790 464610944 /nfs/dbraw/zinc/61/09/44/464610944.db2.gz COYMNIXMQRUHIJ-APWZRJJASA-N 2 2 329.488 2.233 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(COC)c2)[C@@H](C)C1 ZINC000247218919 464657392 /nfs/dbraw/zinc/65/73/92/464657392.db2.gz RDDAVMAKUANQHF-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCc2cccc(COC)c2)[C@@H](C)C1 ZINC000247218919 464657399 /nfs/dbraw/zinc/65/73/99/464657399.db2.gz RDDAVMAKUANQHF-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCc2cccc(COC)c2)[C@@H](C)C1 ZINC000247218919 464657406 /nfs/dbraw/zinc/65/74/06/464657406.db2.gz RDDAVMAKUANQHF-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCc2cccc(COC)c2)[C@@H](C)C1 ZINC000247218919 464657411 /nfs/dbraw/zinc/65/74/11/464657411.db2.gz RDDAVMAKUANQHF-LPHOPBHVSA-N 2 2 347.503 2.111 10 0 EEAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000192241355 464892226 /nfs/dbraw/zinc/89/22/26/464892226.db2.gz LDPFOLHRAVYZFW-UHFFFAOYSA-N 2 2 334.464 2.417 10 0 EEAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000192241355 464892233 /nfs/dbraw/zinc/89/22/33/464892233.db2.gz LDPFOLHRAVYZFW-UHFFFAOYSA-N 2 2 334.464 2.417 10 0 EEAELP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000249783748 464916159 /nfs/dbraw/zinc/91/61/59/464916159.db2.gz QXNNEJKBXCLTMQ-XHSDSOJGSA-N 2 2 347.507 2.313 10 0 EEAELP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc[nH+]c1N(C)C ZINC000249783748 464916163 /nfs/dbraw/zinc/91/61/63/464916163.db2.gz QXNNEJKBXCLTMQ-XHSDSOJGSA-N 2 2 347.507 2.313 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccsc2Cl)C1=O ZINC000579904262 468429708 /nfs/dbraw/zinc/42/97/08/468429708.db2.gz FXAXYKJDYSPHLI-GFCCVEGCSA-N 2 2 338.864 2.416 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348186997 465478899 /nfs/dbraw/zinc/47/88/99/465478899.db2.gz NSTLMPWEHJCBAJ-GDBMZVCRSA-N 2 2 327.428 2.379 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348186997 465478906 /nfs/dbraw/zinc/47/89/06/465478906.db2.gz NSTLMPWEHJCBAJ-GDBMZVCRSA-N 2 2 327.428 2.379 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000371053703 465572820 /nfs/dbraw/zinc/57/28/20/465572820.db2.gz IYAZMRUNNLBBFE-QGZVFWFLSA-N 2 2 345.491 2.021 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)cn2)[C@H](C)C1 ZINC000299433885 465747451 /nfs/dbraw/zinc/74/74/51/465747451.db2.gz VKKRKOFUDQQDQV-QAPCUYQASA-N 2 2 349.475 2.095 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)OC)cn2)[C@H](C)C1 ZINC000299433885 465747454 /nfs/dbraw/zinc/74/74/54/465747454.db2.gz VKKRKOFUDQQDQV-QAPCUYQASA-N 2 2 349.475 2.095 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCOCC1 ZINC000361336648 465917805 /nfs/dbraw/zinc/91/78/05/465917805.db2.gz RCGIVRRYINFZSK-QUCCMNQESA-N 2 2 331.504 2.209 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[N@H+]1CCCOCC1 ZINC000361336648 465917821 /nfs/dbraw/zinc/91/78/21/465917821.db2.gz RCGIVRRYINFZSK-QUCCMNQESA-N 2 2 331.504 2.209 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000361529413 466077608 /nfs/dbraw/zinc/07/76/08/466077608.db2.gz DZAZOZINDLYOAI-IYBDPMFKSA-N 2 2 346.475 2.002 10 0 EEAELP C[C@@H]1C[N@@H+]([C@@H](CNc2cc[nH+]cc2C(N)=O)c2cccs2)CCO1 ZINC000302007522 466078458 /nfs/dbraw/zinc/07/84/58/466078458.db2.gz AWRLOBBFHQAICU-DOMZBBRYSA-N 2 2 346.456 2.116 10 0 EEAELP C[C@@H]1C[N@H+]([C@@H](CNc2cc[nH+]cc2C(N)=O)c2cccs2)CCO1 ZINC000302007522 466078462 /nfs/dbraw/zinc/07/84/62/466078462.db2.gz AWRLOBBFHQAICU-DOMZBBRYSA-N 2 2 346.456 2.116 10 0 EEAELP CCCC[N@H+](C)CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000340476344 466113347 /nfs/dbraw/zinc/11/33/47/466113347.db2.gz UWZHYLOTWXWDHJ-CYBMUJFWSA-N 2 2 344.297 2.321 10 0 EEAELP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000340476344 466113354 /nfs/dbraw/zinc/11/33/54/466113354.db2.gz UWZHYLOTWXWDHJ-CYBMUJFWSA-N 2 2 344.297 2.321 10 0 EEAELP Cn1c[nH+]cc1Cc1noc(Cc2c[nH+]cn2Cc2ccccc2)n1 ZINC000350411262 466486232 /nfs/dbraw/zinc/48/62/32/466486232.db2.gz CPTLJABFVKUXJU-UHFFFAOYSA-N 2 2 334.383 2.230 10 0 EEAELP OC1(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)Cc2ccccc2C1 ZINC000363787974 466617052 /nfs/dbraw/zinc/61/70/52/466617052.db2.gz KENMNLGUFBMBON-UHFFFAOYSA-N 2 2 337.467 2.166 10 0 EEAELP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1C[NH2+]CCO1 ZINC000662252244 472042879 /nfs/dbraw/zinc/04/28/79/472042879.db2.gz NGWDXSNADCARAQ-KRWDZBQOSA-N 2 2 332.423 2.069 10 0 EEAELP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1C[NH2+]CCO1 ZINC000662252244 472042883 /nfs/dbraw/zinc/04/28/83/472042883.db2.gz NGWDXSNADCARAQ-KRWDZBQOSA-N 2 2 332.423 2.069 10 0 EEAELP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000417074490 466772069 /nfs/dbraw/zinc/77/20/69/466772069.db2.gz MZOOUBVMQOPWPT-GOSISDBHSA-N 2 2 341.459 2.072 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423838824 466869801 /nfs/dbraw/zinc/86/98/01/466869801.db2.gz XXGBJXWXMJSNBX-KLWIRTJPSA-N 2 2 337.414 2.214 10 0 EEAELP C[C@@H]1CC[NH2+][C@H](C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423838824 466869806 /nfs/dbraw/zinc/86/98/06/466869806.db2.gz XXGBJXWXMJSNBX-KLWIRTJPSA-N 2 2 337.414 2.214 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418618643 467136575 /nfs/dbraw/zinc/13/65/75/467136575.db2.gz NMLYJDRQGHGXBW-RNHKPAHNSA-N 2 2 342.487 2.025 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428531342 467242915 /nfs/dbraw/zinc/24/29/15/467242915.db2.gz CTAPXLWSADFIHD-XPKDYRNWSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428531342 467242918 /nfs/dbraw/zinc/24/29/18/467242918.db2.gz CTAPXLWSADFIHD-XPKDYRNWSA-N 2 2 341.293 2.140 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420364795 467380034 /nfs/dbraw/zinc/38/00/34/467380034.db2.gz IRXYLNNFKHJVDT-FTRWYGJKSA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420364795 467380037 /nfs/dbraw/zinc/38/00/37/467380037.db2.gz IRXYLNNFKHJVDT-FTRWYGJKSA-N 2 2 345.487 2.336 10 0 EEAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@@H]1CCCc2ccccc21 ZINC000420378954 467385195 /nfs/dbraw/zinc/38/51/95/467385195.db2.gz QVIMUPPBEFGQAB-UYAOXDASSA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@@H]1CCCc2ccccc21 ZINC000420378954 467385198 /nfs/dbraw/zinc/38/51/98/467385198.db2.gz QVIMUPPBEFGQAB-UYAOXDASSA-N 2 2 327.472 2.256 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386784 467389722 /nfs/dbraw/zinc/38/97/22/467389722.db2.gz VQYRSJHWZFNJPV-HLIPFELVSA-N 2 2 329.488 2.370 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386784 467389726 /nfs/dbraw/zinc/38/97/26/467389726.db2.gz VQYRSJHWZFNJPV-HLIPFELVSA-N 2 2 329.488 2.370 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC2(CC2)CC1 ZINC000434339251 467391151 /nfs/dbraw/zinc/39/11/51/467391151.db2.gz VGOHJXKTKLDZLI-UHFFFAOYSA-N 2 2 336.524 2.377 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC2(CC2)CC1 ZINC000434339251 467391156 /nfs/dbraw/zinc/39/11/56/467391156.db2.gz VGOHJXKTKLDZLI-UHFFFAOYSA-N 2 2 336.524 2.377 10 0 EEAELP CC[N@@H+]1CCO[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000420507949 467421880 /nfs/dbraw/zinc/42/18/80/467421880.db2.gz YMUDUGMYYYXQSO-OAHLLOKOSA-N 2 2 325.372 2.316 10 0 EEAELP CC[N@H+]1CCO[C@@H](c2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)C1 ZINC000420507949 467421884 /nfs/dbraw/zinc/42/18/84/467421884.db2.gz YMUDUGMYYYXQSO-OAHLLOKOSA-N 2 2 325.372 2.316 10 0 EEAELP CC1=C[C@@H](C)CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000430574636 467443452 /nfs/dbraw/zinc/44/34/52/467443452.db2.gz JAOZQQRBSGZFOT-OAHLLOKOSA-N 2 2 334.508 2.153 10 0 EEAELP O=c1[nH]ccc2c1C[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420915029 467511703 /nfs/dbraw/zinc/51/17/03/467511703.db2.gz DEHHNRKADMUZNE-UHFFFAOYSA-N 2 2 339.439 2.178 10 0 EEAELP O=c1[nH]ccc2c1C[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420915029 467511704 /nfs/dbraw/zinc/51/17/04/467511704.db2.gz DEHHNRKADMUZNE-UHFFFAOYSA-N 2 2 339.439 2.178 10 0 EEAELP OCCN1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000449398978 467640031 /nfs/dbraw/zinc/64/00/31/467640031.db2.gz ZHITWGQKHJGGAS-FQEVSTJZSA-N 2 2 331.504 2.087 10 0 EEAELP CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455444297 467684045 /nfs/dbraw/zinc/68/40/45/467684045.db2.gz JVNUNWQFDFUONH-FSGLHJGXSA-N 2 2 348.535 2.231 10 0 EEAELP CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455444297 467684049 /nfs/dbraw/zinc/68/40/49/467684049.db2.gz JVNUNWQFDFUONH-FSGLHJGXSA-N 2 2 348.535 2.231 10 0 EEAELP CC[NH+](CC)CC1CC[NH+](Cc2nc(C(=O)OC)cs2)CC1 ZINC000450264732 467812599 /nfs/dbraw/zinc/81/25/99/467812599.db2.gz UWKACHLEERASIZ-UHFFFAOYSA-N 2 2 325.478 2.484 10 0 EEAELP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCn4cc[nH+]c4C3)cccc21 ZINC000517009976 468064130 /nfs/dbraw/zinc/06/41/30/468064130.db2.gz SDHRADLRBUJOGL-BBRMVZONSA-N 2 2 340.427 2.469 10 0 EEAELP C[N@@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H]1CCC[NH+](C)C1 ZINC000533293849 468187470 /nfs/dbraw/zinc/18/74/70/468187470.db2.gz WXNRUPIITSAZJU-CCLIWJKGSA-N 2 2 333.520 2.345 10 0 EEAELP C[N@H+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H]1CCC[NH+](C)C1 ZINC000533293849 468187476 /nfs/dbraw/zinc/18/74/76/468187476.db2.gz WXNRUPIITSAZJU-CCLIWJKGSA-N 2 2 333.520 2.345 10 0 EEAELP C[NH+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H]1CCC[N@H+](C)C1 ZINC000533293849 468187477 /nfs/dbraw/zinc/18/74/77/468187477.db2.gz WXNRUPIITSAZJU-CCLIWJKGSA-N 2 2 333.520 2.345 10 0 EEAELP C[NH+](CC(=O)NC12CC3CC(CC(C3)C1)C2)C[C@H]1CCC[N@@H+](C)C1 ZINC000533293849 468187485 /nfs/dbraw/zinc/18/74/85/468187485.db2.gz WXNRUPIITSAZJU-CCLIWJKGSA-N 2 2 333.520 2.345 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)cn2c1 ZINC000590046537 468208021 /nfs/dbraw/zinc/20/80/21/468208021.db2.gz HGRVPBGKQZMCTE-GOEBONIOSA-N 2 2 344.484 2.038 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cn2c1 ZINC000590046537 468208026 /nfs/dbraw/zinc/20/80/26/468208026.db2.gz HGRVPBGKQZMCTE-GOEBONIOSA-N 2 2 344.484 2.038 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@H](CO)CC1 ZINC000550491374 468217291 /nfs/dbraw/zinc/21/72/91/468217291.db2.gz MSXVKAGXJXANGD-GJZGRUSLSA-N 2 2 342.443 2.498 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@H](CO)CC1 ZINC000550491374 468217297 /nfs/dbraw/zinc/21/72/97/468217297.db2.gz MSXVKAGXJXANGD-GJZGRUSLSA-N 2 2 342.443 2.498 10 0 EEAELP CC(C)n1ccc(C[C@@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)n1 ZINC000520393132 468247853 /nfs/dbraw/zinc/24/78/53/468247853.db2.gz DQYVOTGSYPHQNF-OAHLLOKOSA-N 2 2 328.464 2.312 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221961 468605834 /nfs/dbraw/zinc/60/58/34/468605834.db2.gz CQPYUGKIYSZBDW-RTBURBONSA-N 2 2 349.519 2.356 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221961 468605836 /nfs/dbraw/zinc/60/58/36/468605836.db2.gz CQPYUGKIYSZBDW-RTBURBONSA-N 2 2 349.519 2.356 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221961 468605839 /nfs/dbraw/zinc/60/58/39/468605839.db2.gz CQPYUGKIYSZBDW-RTBURBONSA-N 2 2 349.519 2.356 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000570221961 468605841 /nfs/dbraw/zinc/60/58/41/468605841.db2.gz CQPYUGKIYSZBDW-RTBURBONSA-N 2 2 349.519 2.356 10 0 EEAELP CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(=O)OCC ZINC000594712700 468660039 /nfs/dbraw/zinc/66/00/39/468660039.db2.gz VZLKIRFTQCJMBB-QGZVFWFLSA-N 2 2 326.481 2.199 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571523761 468801154 /nfs/dbraw/zinc/80/11/54/468801154.db2.gz VQGHNQBJPKKBKA-NOXHYTERSA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571523761 468801159 /nfs/dbraw/zinc/80/11/59/468801159.db2.gz VQGHNQBJPKKBKA-NOXHYTERSA-N 2 2 339.842 2.468 10 0 EEAELP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000573668833 469181418 /nfs/dbraw/zinc/18/14/18/469181418.db2.gz UDVCIDQMLCXPNV-STQMWFEESA-N 2 2 341.406 2.137 10 0 EEAELP CCC[C@@H](OCC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000625856984 469412151 /nfs/dbraw/zinc/41/21/51/469412151.db2.gz VMDXTTIECMOETR-QGZVFWFLSA-N 2 2 339.524 2.258 10 0 EEAELP [NH3+]CCCOCCNC(=O)Nc1cccc(Oc2cc[nH+]cc2)c1 ZINC000625860749 469414545 /nfs/dbraw/zinc/41/45/45/469414545.db2.gz NSZRTQYKDXLVFB-UHFFFAOYSA-N 2 2 330.388 2.361 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3C[C@@H]4CCC[C@]4(CO)C3)c2cc1C ZINC000626012975 469469014 /nfs/dbraw/zinc/46/90/14/469469014.db2.gz NYUKZDIGDCXNBU-SQGPQFPESA-N 2 2 343.471 2.108 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3C[C@@H]4CCC[C@]4(CO)C3)c2cc1C ZINC000626012975 469469015 /nfs/dbraw/zinc/46/90/15/469469015.db2.gz NYUKZDIGDCXNBU-SQGPQFPESA-N 2 2 343.471 2.108 10 0 EEAELP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(-n2cncn2)cc1Cl ZINC000629521853 469572065 /nfs/dbraw/zinc/57/20/65/469572065.db2.gz SMDCWIUVRCRMJL-GFCCVEGCSA-N 2 2 335.839 2.079 10 0 EEAELP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398677 469642275 /nfs/dbraw/zinc/64/22/75/469642275.db2.gz MHWCMHAIPWCLRY-WOJBJXKFSA-N 3 2 344.547 2.438 10 0 EEAELP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)CC1 ZINC000623398677 469642277 /nfs/dbraw/zinc/64/22/77/469642277.db2.gz MHWCMHAIPWCLRY-WOJBJXKFSA-N 3 2 344.547 2.438 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1O ZINC000617504315 469702556 /nfs/dbraw/zinc/70/25/56/469702556.db2.gz POHQVBFTUNBSGZ-LBPRGKRZSA-N 2 2 327.856 2.047 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1O ZINC000617504315 469702559 /nfs/dbraw/zinc/70/25/59/469702559.db2.gz POHQVBFTUNBSGZ-LBPRGKRZSA-N 2 2 327.856 2.047 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613546229 469733851 /nfs/dbraw/zinc/73/38/51/469733851.db2.gz SQMPMSNDOJUUDT-ALKREAHSSA-N 2 2 338.455 2.151 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000613546229 469733854 /nfs/dbraw/zinc/73/38/54/469733854.db2.gz SQMPMSNDOJUUDT-ALKREAHSSA-N 2 2 338.455 2.151 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613546229 469733857 /nfs/dbraw/zinc/73/38/57/469733857.db2.gz SQMPMSNDOJUUDT-ALKREAHSSA-N 2 2 338.455 2.151 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000613546229 469733861 /nfs/dbraw/zinc/73/38/61/469733861.db2.gz SQMPMSNDOJUUDT-ALKREAHSSA-N 2 2 338.455 2.151 10 0 EEAELP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)Cn1cc[nH+]c1 ZINC000608011724 469756244 /nfs/dbraw/zinc/75/62/44/469756244.db2.gz AMOPWDVXAIQJNL-UHFFFAOYSA-N 2 2 330.457 2.379 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CCc1cc(Cl)cs1 ZINC000617766316 469797871 /nfs/dbraw/zinc/79/78/71/469797871.db2.gz GFELKNFUKPTVRO-UHFFFAOYSA-N 2 2 331.913 2.334 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CCc1cc(Cl)cs1 ZINC000617766316 469797875 /nfs/dbraw/zinc/79/78/75/469797875.db2.gz GFELKNFUKPTVRO-UHFFFAOYSA-N 2 2 331.913 2.334 10 0 EEAELP Cn1cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C2CCCCC2)n1 ZINC000617767351 469798579 /nfs/dbraw/zinc/79/85/79/469798579.db2.gz QPOSJQFRSURIMW-UHFFFAOYSA-N 2 2 349.523 2.081 10 0 EEAELP Cn1cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C2CCCCC2)n1 ZINC000617767351 469798582 /nfs/dbraw/zinc/79/85/82/469798582.db2.gz QPOSJQFRSURIMW-UHFFFAOYSA-N 2 2 349.523 2.081 10 0 EEAELP C[NH+](C)C1(CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCCC1 ZINC000630753697 469981138 /nfs/dbraw/zinc/98/11/38/469981138.db2.gz LKMQFZMFYRMRIN-UHFFFAOYSA-N 2 2 326.444 2.405 10 0 EEAELP Cc1nc(C)c(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000628210131 470076843 /nfs/dbraw/zinc/07/68/43/470076843.db2.gz IBJJUDCNXHHEMA-UHFFFAOYSA-N 2 2 345.443 2.292 10 0 EEAELP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc(N)[nH+]1 ZINC000631184453 470089160 /nfs/dbraw/zinc/08/91/60/470089160.db2.gz UWDJERMQTIRDFG-CHWSQXEVSA-N 2 2 336.802 2.412 10 0 EEAELP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)nc(N)[nH+]1 ZINC000631184453 470089162 /nfs/dbraw/zinc/08/91/62/470089162.db2.gz UWDJERMQTIRDFG-CHWSQXEVSA-N 2 2 336.802 2.412 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC[N@@H+]1C ZINC000631314411 470118261 /nfs/dbraw/zinc/11/82/61/470118261.db2.gz KNTOGFJSZRWWPH-APHBMKBZSA-N 2 2 339.430 2.414 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)CC[N@H+]1C ZINC000631314411 470118263 /nfs/dbraw/zinc/11/82/63/470118263.db2.gz KNTOGFJSZRWWPH-APHBMKBZSA-N 2 2 339.430 2.414 10 0 EEAELP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000631882141 470189118 /nfs/dbraw/zinc/18/91/18/470189118.db2.gz RPYIGHYQRQYYET-PKOBYXMFSA-N 2 2 338.455 2.358 10 0 EEAELP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@H]21 ZINC000631882141 470189119 /nfs/dbraw/zinc/18/91/19/470189119.db2.gz RPYIGHYQRQYYET-PKOBYXMFSA-N 2 2 338.455 2.358 10 0 EEAELP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCc2sccc2C1 ZINC000631885897 470189290 /nfs/dbraw/zinc/18/92/90/470189290.db2.gz CKIVUEIJODTHHE-ZBFHGGJFSA-N 2 2 333.501 2.097 10 0 EEAELP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)N1CCc2sccc2C1 ZINC000631885897 470189291 /nfs/dbraw/zinc/18/92/91/470189291.db2.gz CKIVUEIJODTHHE-ZBFHGGJFSA-N 2 2 333.501 2.097 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885448 470189326 /nfs/dbraw/zinc/18/93/26/470189326.db2.gz AORASHODCNHMAJ-KBAYOESNSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@@H]1CCc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631885448 470189327 /nfs/dbraw/zinc/18/93/27/470189327.db2.gz AORASHODCNHMAJ-KBAYOESNSA-N 2 2 327.472 2.428 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269478 470587180 /nfs/dbraw/zinc/58/71/80/470587180.db2.gz GOWYMKWGQQIOPT-SOUVJXGZSA-N 2 2 339.842 2.339 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2[NH2+]CC2(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646269478 470587183 /nfs/dbraw/zinc/58/71/83/470587183.db2.gz GOWYMKWGQQIOPT-SOUVJXGZSA-N 2 2 339.842 2.339 10 0 EEAELP Cn1cnc(CCC[NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000647231277 470863755 /nfs/dbraw/zinc/86/37/55/470863755.db2.gz POOZTDSWBIQTEW-QGZVFWFLSA-N 2 2 327.476 2.390 10 0 EEAELP Cn1cnc(CCC[NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000647231277 470863759 /nfs/dbraw/zinc/86/37/59/470863759.db2.gz POOZTDSWBIQTEW-QGZVFWFLSA-N 2 2 327.476 2.390 10 0 EEAELP c1cc2cnccc2c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000647537045 470925344 /nfs/dbraw/zinc/92/53/44/470925344.db2.gz ITMHGLIIOYPLTK-UHFFFAOYSA-N 2 2 348.454 2.309 10 0 EEAELP CC[N@H+]1[C@H](C)CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@@H]1C ZINC000640617541 470973176 /nfs/dbraw/zinc/97/31/76/470973176.db2.gz NHIOBNQROQQXMZ-CALCHBBNSA-N 2 2 345.487 2.074 10 0 EEAELP CC[N@@H+]1[C@H](C)CN(C(=O)c2ccccc2C[NH+]2CCOCC2)C[C@@H]1C ZINC000640617541 470973178 /nfs/dbraw/zinc/97/31/78/470973178.db2.gz NHIOBNQROQQXMZ-CALCHBBNSA-N 2 2 345.487 2.074 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899465 471010181 /nfs/dbraw/zinc/01/01/81/471010181.db2.gz LQXAKWRXCBLOTA-AEFFLSMTSA-N 2 2 333.451 2.248 10 0 EEAELP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899465 471010185 /nfs/dbraw/zinc/01/01/85/471010185.db2.gz LQXAKWRXCBLOTA-AEFFLSMTSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651690664 471085236 /nfs/dbraw/zinc/08/52/36/471085236.db2.gz PNNXYBHSSIYUJG-INIZCTEOSA-N 2 2 338.455 2.173 10 0 EEAELP Cn1cc[nH+]c1C[C@H](Nc1nc(N)[nH+]c2c1CCCC2)c1ccccc1 ZINC000645180662 471167527 /nfs/dbraw/zinc/16/75/27/471167527.db2.gz WUQMMZAOPFQDPF-KRWDZBQOSA-N 2 2 348.454 2.489 10 0 EEAELP c1ccc(N2CC[NH+](CCC[NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657826997 471238467 /nfs/dbraw/zinc/23/84/67/471238467.db2.gz KGWSTXCYGKIJOM-GOSISDBHSA-N 2 2 329.488 2.500 10 0 EEAELP COC[C@H](CC1CCOCC1)Nc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000657943983 471250799 /nfs/dbraw/zinc/25/07/99/471250799.db2.gz XMXOJLPQEMMTPK-KRWDZBQOSA-N 2 2 348.491 2.077 10 0 EEAELP C[C@@H](Cn1cncn1)[NH2+]C1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000657998484 471258259 /nfs/dbraw/zinc/25/82/59/471258259.db2.gz KWVFQUZAVLBLHS-XGNXJENSSA-N 2 2 331.386 2.062 10 0 EEAELP CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652337205 471273585 /nfs/dbraw/zinc/27/35/85/471273585.db2.gz SQJQTRPIRBMREB-UHFFFAOYSA-N 2 2 329.488 2.413 10 0 EEAELP CCN(C(=O)NCCn1c(C)[nH+]c2ccccc21)[C@H]1CC[N@@H+](CC)C1 ZINC000663501335 471401022 /nfs/dbraw/zinc/40/10/22/471401022.db2.gz VQPFMZLWZDDUSD-INIZCTEOSA-N 2 2 343.475 2.470 10 0 EEAELP CCN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CC[N@H+](C)C1 ZINC000663556372 471424905 /nfs/dbraw/zinc/42/49/05/471424905.db2.gz FDVJQRCDMQEYOU-AWEZNQCLSA-N 2 2 335.839 2.223 10 0 EEAELP CCN(C(=O)NCc1cn2cc(Cl)ccc2[nH+]1)[C@H]1CC[N@@H+](C)C1 ZINC000663556372 471424916 /nfs/dbraw/zinc/42/49/16/471424916.db2.gz FDVJQRCDMQEYOU-AWEZNQCLSA-N 2 2 335.839 2.223 10 0 EEAELP Cc1cccn2cc(CCNC(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)[nH+]c12 ZINC000660785159 471485693 /nfs/dbraw/zinc/48/56/93/471485693.db2.gz LCBXEKFTMBENOF-INIZCTEOSA-N 2 2 343.475 2.357 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)CC2)c1 ZINC000653105949 471488694 /nfs/dbraw/zinc/48/86/94/471488694.db2.gz NYORLMNHCLTCJG-MOPGFXCFSA-N 2 2 327.472 2.170 10 0 EEAELP Cc1ccc(CCNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000663827414 471535763 /nfs/dbraw/zinc/53/57/63/471535763.db2.gz XPZWKCUEIAYPEA-UHFFFAOYSA-N 2 2 334.508 2.029 10 0 EEAELP Cc1ccc(CCNC(=O)NCC[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000663827414 471535770 /nfs/dbraw/zinc/53/57/70/471535770.db2.gz XPZWKCUEIAYPEA-UHFFFAOYSA-N 2 2 334.508 2.029 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)c(C)c1 ZINC000669540601 471541513 /nfs/dbraw/zinc/54/15/13/471541513.db2.gz OLMOXKCAGGYTKL-SZMVWBNQSA-N 2 2 341.459 2.372 10 0 EEAELP Cn1c2cc(F)ccc2[nH+]c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000664012452 471608086 /nfs/dbraw/zinc/60/80/86/471608086.db2.gz ZDQINZINYMJNKD-UHFFFAOYSA-N 2 2 332.423 2.404 10 0 EEAELP Cn1c2cc(F)ccc2[nH+]c1N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664012452 471608089 /nfs/dbraw/zinc/60/80/89/471608089.db2.gz ZDQINZINYMJNKD-UHFFFAOYSA-N 2 2 332.423 2.404 10 0 EEAELP c1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000664403646 471741674 /nfs/dbraw/zinc/74/16/74/471741674.db2.gz PRNYZWJCLPVEFU-OAHLLOKOSA-N 2 2 331.464 2.132 10 0 EEAELP c1cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)nc(N2CCOCC2)[nH+]1 ZINC000664403646 471741678 /nfs/dbraw/zinc/74/16/78/471741678.db2.gz PRNYZWJCLPVEFU-OAHLLOKOSA-N 2 2 331.464 2.132 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702635 471812492 /nfs/dbraw/zinc/81/24/92/471812492.db2.gz QUGGVIMAJCAOSI-HOTGVXAUSA-N 2 2 336.476 2.287 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702635 471812499 /nfs/dbraw/zinc/81/24/99/471812499.db2.gz QUGGVIMAJCAOSI-HOTGVXAUSA-N 2 2 336.476 2.287 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667569689 471826946 /nfs/dbraw/zinc/82/69/46/471826946.db2.gz QJNJKPXZPRAXSN-QXSJWSMHSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667569689 471826952 /nfs/dbraw/zinc/82/69/52/471826952.db2.gz QJNJKPXZPRAXSN-QXSJWSMHSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667569689 471826957 /nfs/dbraw/zinc/82/69/57/471826957.db2.gz QJNJKPXZPRAXSN-QXSJWSMHSA-N 2 2 330.476 2.378 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667569689 471826962 /nfs/dbraw/zinc/82/69/62/471826962.db2.gz QJNJKPXZPRAXSN-QXSJWSMHSA-N 2 2 330.476 2.378 10 0 EEAELP CCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000654374363 471932969 /nfs/dbraw/zinc/93/29/69/471932969.db2.gz YEYHCGKFYKYVLF-UHFFFAOYSA-N 2 2 333.480 2.163 10 0 EEAELP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCn3cc[nH+]c32)cc1 ZINC000665255481 471981613 /nfs/dbraw/zinc/98/16/13/471981613.db2.gz UFUFGAUEBYZVGB-BZSNNMDCSA-N 2 2 326.444 2.462 10 0 EEAELP O=C(CC(F)(F)F)NC[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668141259 472024579 /nfs/dbraw/zinc/02/45/79/472024579.db2.gz ZTXIDQZVVLZQES-LBPRGKRZSA-N 2 2 344.381 2.110 10 0 EEAELP O=C(CC(F)(F)F)NC[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668141259 472024584 /nfs/dbraw/zinc/02/45/84/472024584.db2.gz ZTXIDQZVVLZQES-LBPRGKRZSA-N 2 2 344.381 2.110 10 0 EEAELP Cc1ccccc1[C@H]1C(=O)NCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662278747 472052843 /nfs/dbraw/zinc/05/28/43/472052843.db2.gz LXBPFIRECMSSMB-FQEVSTJZSA-N 2 2 335.451 2.314 10 0 EEAELP Cc1ccccc1[C@H]1C(=O)NCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662278747 472052846 /nfs/dbraw/zinc/05/28/46/472052846.db2.gz LXBPFIRECMSSMB-FQEVSTJZSA-N 2 2 335.451 2.314 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1COCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279109 472053971 /nfs/dbraw/zinc/05/39/71/472053971.db2.gz GBXVRDWVOSHRIO-IBGZPJMESA-N 2 2 340.471 2.256 10 0 EEAELP Cc1nn(C)c(C)c1[C@@H]1COCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279109 472053978 /nfs/dbraw/zinc/05/39/78/472053978.db2.gz GBXVRDWVOSHRIO-IBGZPJMESA-N 2 2 340.471 2.256 10 0 EEAELP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000665536775 472082930 /nfs/dbraw/zinc/08/29/30/472082930.db2.gz ZBNQIRBIAUJRMB-VQIMIIECSA-N 2 2 340.471 2.496 10 0 EEAELP CCc1ccc([C@@H](CNC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)cc1 ZINC000665536775 472082938 /nfs/dbraw/zinc/08/29/38/472082938.db2.gz ZBNQIRBIAUJRMB-VQIMIIECSA-N 2 2 340.471 2.496 10 0 EEAELP COc1cc(C)c(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000668741573 472249116 /nfs/dbraw/zinc/24/91/16/472249116.db2.gz UYZOJCIXVGYZBT-KRWDZBQOSA-N 2 2 334.460 2.043 10 0 EEAELP COc1cc(C)c(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000668741573 472249122 /nfs/dbraw/zinc/24/91/22/472249122.db2.gz UYZOJCIXVGYZBT-KRWDZBQOSA-N 2 2 334.460 2.043 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccnc2)CCO1 ZINC000668786192 472267161 /nfs/dbraw/zinc/26/71/61/472267161.db2.gz WUNHXXZPEZNJIQ-QGZVFWFLSA-N 2 2 329.448 2.014 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccnc2)CCO1 ZINC000668786192 472267165 /nfs/dbraw/zinc/26/71/65/472267165.db2.gz WUNHXXZPEZNJIQ-QGZVFWFLSA-N 2 2 329.448 2.014 10 0 EEAELP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)o1 ZINC000168593259 485493812 /nfs/dbraw/zinc/49/38/12/485493812.db2.gz BDFQHMVIXFWXLP-GFCCVEGCSA-N 2 2 349.381 2.411 10 0 EEAELP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)o1 ZINC000168593259 485493818 /nfs/dbraw/zinc/49/38/18/485493818.db2.gz BDFQHMVIXFWXLP-GFCCVEGCSA-N 2 2 349.381 2.411 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532482321 485545082 /nfs/dbraw/zinc/54/50/82/485545082.db2.gz GKKNPDCDVABOLS-PBHICJAKSA-N 2 2 331.460 2.333 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532482321 485545086 /nfs/dbraw/zinc/54/50/86/485545086.db2.gz GKKNPDCDVABOLS-PBHICJAKSA-N 2 2 331.460 2.333 10 0 EEAELP COc1cc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000628316711 485712459 /nfs/dbraw/zinc/71/24/59/485712459.db2.gz GSWDBLJDDLHUPL-CYBMUJFWSA-N 2 2 335.448 2.105 10 0 EEAELP COc1cc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000628316711 485712465 /nfs/dbraw/zinc/71/24/65/485712465.db2.gz GSWDBLJDDLHUPL-CYBMUJFWSA-N 2 2 335.448 2.105 10 0 EEAELP CCn1nc2c(cc1=O)C[N@@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000680328307 485941795 /nfs/dbraw/zinc/94/17/95/485941795.db2.gz GHSXKBNQNDKTJP-UHFFFAOYSA-N 2 2 341.440 2.069 10 0 EEAELP CCn1nc2c(cc1=O)C[N@H+](Cc1cc(-n3cc[nH+]c3)cs1)CC2 ZINC000680328307 485941800 /nfs/dbraw/zinc/94/18/00/485941800.db2.gz GHSXKBNQNDKTJP-UHFFFAOYSA-N 2 2 341.440 2.069 10 0 EEAELP COc1c(O)cccc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000685458036 486122929 /nfs/dbraw/zinc/12/29/29/486122929.db2.gz YMELYRFKWKMCEB-QGZVFWFLSA-N 2 2 333.476 2.001 10 0 EEAELP COc1c(O)cccc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000685458036 486122933 /nfs/dbraw/zinc/12/29/33/486122933.db2.gz YMELYRFKWKMCEB-QGZVFWFLSA-N 2 2 333.476 2.001 10 0 EEAELP COc1c(O)cccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458036 486122942 /nfs/dbraw/zinc/12/29/42/486122942.db2.gz YMELYRFKWKMCEB-QGZVFWFLSA-N 2 2 333.476 2.001 10 0 EEAELP COc1c(O)cccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458036 486122950 /nfs/dbraw/zinc/12/29/50/486122950.db2.gz YMELYRFKWKMCEB-QGZVFWFLSA-N 2 2 333.476 2.001 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCCC[NH+](C)C)c(C)c1 ZINC000676744193 486297245 /nfs/dbraw/zinc/29/72/45/486297245.db2.gz ZQLKJNDNQQQIJU-SFHVURJKSA-N 2 2 343.475 2.492 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000681697005 486308823 /nfs/dbraw/zinc/30/88/23/486308823.db2.gz IBPKMJAKSKLGEJ-WOJBJXKFSA-N 2 2 332.488 2.370 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000681697005 486308828 /nfs/dbraw/zinc/30/88/28/486308828.db2.gz IBPKMJAKSKLGEJ-WOJBJXKFSA-N 2 2 332.488 2.370 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000681697005 486308832 /nfs/dbraw/zinc/30/88/32/486308832.db2.gz IBPKMJAKSKLGEJ-WOJBJXKFSA-N 2 2 332.488 2.370 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000681697005 486308837 /nfs/dbraw/zinc/30/88/37/486308837.db2.gz IBPKMJAKSKLGEJ-WOJBJXKFSA-N 2 2 332.488 2.370 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000173953808 528963305 /nfs/dbraw/zinc/96/33/05/528963305.db2.gz OCVNNBUZRBXFPH-UHFFFAOYSA-N 2 2 333.480 2.305 10 0 EEAELP O=c1oc2ccc(F)cc2n1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000773312041 577332131 /nfs/dbraw/zinc/33/21/31/577332131.db2.gz UQHRWIWTKQEBFA-UHFFFAOYSA-N 2 2 333.407 2.499 10 0 EEAELP C[C@@H]1CC[N@H+](Cn2c3ccccc3n(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000759151977 577638061 /nfs/dbraw/zinc/63/80/61/577638061.db2.gz WCWDLFHOECQFGS-RHSMWYFYSA-N 2 2 325.416 2.077 10 0 EEAELP C[C@@H]1CC[N@@H+](Cn2c3ccccc3n(C)c2=O)C[C@H]1n1cc[nH+]c1 ZINC000759151977 577638062 /nfs/dbraw/zinc/63/80/62/577638062.db2.gz WCWDLFHOECQFGS-RHSMWYFYSA-N 2 2 325.416 2.077 10 0 EEAELP CC[C@H](C)NC(=S)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000741877926 578206113 /nfs/dbraw/zinc/20/61/13/578206113.db2.gz WMVJRIOULNUAJZ-HNNXBMFYSA-N 2 2 326.554 2.199 10 0 EEAELP CC(C)C[N@@H+]1CCO[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000181152444 684097544 /nfs/dbraw/zinc/09/75/44/684097544.db2.gz ILVVBHZGAWGKAJ-GOSISDBHSA-N 2 2 343.427 2.386 10 0 EEAELP CC(C)C[N@H+]1CCO[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000181152444 684097546 /nfs/dbraw/zinc/09/75/46/684097546.db2.gz ILVVBHZGAWGKAJ-GOSISDBHSA-N 2 2 343.427 2.386 10 0 EEAELP C[C@H]1[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@@H+]1C ZINC000925331739 692840373 /nfs/dbraw/zinc/84/03/73/692840373.db2.gz KVRURIXVFMDTBZ-RDJZCZTQSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@H]1[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)CC[N@H+]1C ZINC000925331739 692840380 /nfs/dbraw/zinc/84/03/80/692840380.db2.gz KVRURIXVFMDTBZ-RDJZCZTQSA-N 2 2 333.480 2.178 10 0 EEAELP O=C(N[C@H]1CCC[N@@H+](CCF)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000898490410 693336368 /nfs/dbraw/zinc/33/63/68/693336368.db2.gz HXIPKCFBHDDVLZ-OALUTQOASA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@H]1CCC[N@H+](CCF)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000898490410 693336372 /nfs/dbraw/zinc/33/63/72/693336372.db2.gz HXIPKCFBHDDVLZ-OALUTQOASA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000898490410 693336376 /nfs/dbraw/zinc/33/63/76/693336376.db2.gz HXIPKCFBHDDVLZ-OALUTQOASA-N 2 2 347.478 2.449 10 0 EEAELP O=C(N[C@H]1CCC[NH+](CCF)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000898490410 693336379 /nfs/dbraw/zinc/33/63/79/693336379.db2.gz HXIPKCFBHDDVLZ-OALUTQOASA-N 2 2 347.478 2.449 10 0 EEAELP Cc1ccc(C)c(C[NH+]2CC([C@@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001485540191 1191828510 /nfs/dbraw/zinc/82/85/10/1191828510.db2.gz WUMUCTPBSZYPQK-MRXNPFEDSA-N 2 2 326.444 2.137 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)s1 ZINC001485698374 1191904162 /nfs/dbraw/zinc/90/41/62/1191904162.db2.gz LOKAELZTTPBVFS-BPLDGKMQSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1csc(C[N@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001266245667 1176014245 /nfs/dbraw/zinc/01/42/45/1176014245.db2.gz DUXJAIVAZNGNLT-HNNXBMFYSA-N 2 2 338.521 2.264 10 0 EEAELP Cc1csc(C[N@@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)n1 ZINC001266245667 1176014257 /nfs/dbraw/zinc/01/42/57/1176014257.db2.gz DUXJAIVAZNGNLT-HNNXBMFYSA-N 2 2 338.521 2.264 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)Cc1c(C)noc1C ZINC001480865918 1176139633 /nfs/dbraw/zinc/13/96/33/1176139633.db2.gz PXXJGXNIKBKACU-ZDUSSCGKSA-N 2 2 347.463 2.250 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](C)Cc1c(C)noc1C ZINC001480865918 1176139636 /nfs/dbraw/zinc/13/96/36/1176139636.db2.gz PXXJGXNIKBKACU-ZDUSSCGKSA-N 2 2 347.463 2.250 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001266492039 1176631239 /nfs/dbraw/zinc/63/12/39/1176631239.db2.gz GLQKDJPRYFBKJO-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1cccc(Cl)n1 ZINC001266492039 1176631244 /nfs/dbraw/zinc/63/12/44/1176631244.db2.gz GLQKDJPRYFBKJO-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001266492039 1176631247 /nfs/dbraw/zinc/63/12/47/1176631247.db2.gz GLQKDJPRYFBKJO-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001266492039 1176631253 /nfs/dbraw/zinc/63/12/53/1176631253.db2.gz GLQKDJPRYFBKJO-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001670543432 1176875620 /nfs/dbraw/zinc/87/56/20/1176875620.db2.gz AANGMLXHFVJLRM-GOSISDBHSA-N 2 2 330.476 2.338 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]CCc2ccccc2)c[nH+]1 ZINC001266738779 1177328617 /nfs/dbraw/zinc/32/86/17/1177328617.db2.gz PDPKXOBLHOPNPS-UHFFFAOYSA-N 2 2 328.460 2.217 10 0 EEAELP CO[C@@H](C[N@H+](C)CCNC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001480889120 1177337766 /nfs/dbraw/zinc/33/77/66/1177337766.db2.gz GZKNGZBYUYJULM-KRWDZBQOSA-N 2 2 344.459 2.201 10 0 EEAELP CO[C@@H](C[N@@H+](C)CCNC(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001480889120 1177337775 /nfs/dbraw/zinc/33/77/75/1177337775.db2.gz GZKNGZBYUYJULM-KRWDZBQOSA-N 2 2 344.459 2.201 10 0 EEAELP CN(CC[NH2+]CCCc1ccccc1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001266748483 1177342706 /nfs/dbraw/zinc/34/27/06/1177342706.db2.gz GBYFQURVUQCRQP-GOSISDBHSA-N 2 2 340.471 2.126 10 0 EEAELP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001266813545 1177472093 /nfs/dbraw/zinc/47/20/93/1177472093.db2.gz VROHCLHLZKKQFW-IBGZPJMESA-N 2 2 349.519 2.178 10 0 EEAELP CN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001266813545 1177472098 /nfs/dbraw/zinc/47/20/98/1177472098.db2.gz VROHCLHLZKKQFW-IBGZPJMESA-N 2 2 349.519 2.178 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC001691111682 1177596274 /nfs/dbraw/zinc/59/62/74/1177596274.db2.gz AHJMUFNTPCFMIP-INIZCTEOSA-N 2 2 338.411 2.410 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC001691111682 1177596281 /nfs/dbraw/zinc/59/62/81/1177596281.db2.gz AHJMUFNTPCFMIP-INIZCTEOSA-N 2 2 338.411 2.410 10 0 EEAELP C[C@H](CCNC(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(Cl)nc1 ZINC001267154025 1178336376 /nfs/dbraw/zinc/33/63/76/1178336376.db2.gz VLVCNPMPEMJMJF-CYBMUJFWSA-N 2 2 349.866 2.086 10 0 EEAELP CC[N@@H+](C/C=C\Cl)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001481001427 1179457403 /nfs/dbraw/zinc/45/74/03/1179457403.db2.gz QWCYDOWTWABPHO-WAYWQWQTSA-N 2 2 340.855 2.075 10 0 EEAELP CC[N@H+](C/C=C\Cl)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001481001427 1179457406 /nfs/dbraw/zinc/45/74/06/1179457406.db2.gz QWCYDOWTWABPHO-WAYWQWQTSA-N 2 2 340.855 2.075 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@H](C)c1cccc(OC)c1 ZINC001481002289 1179460033 /nfs/dbraw/zinc/46/00/33/1179460033.db2.gz HBNSYRFQFGARJG-CQSZACIVSA-N 2 2 330.432 2.160 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@H](C)c1cccc(OC)c1 ZINC001481002289 1179460038 /nfs/dbraw/zinc/46/00/38/1179460038.db2.gz HBNSYRFQFGARJG-CQSZACIVSA-N 2 2 330.432 2.160 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1F ZINC001481070101 1179678659 /nfs/dbraw/zinc/67/86/59/1179678659.db2.gz MNBFYBURQAMMLP-QGZVFWFLSA-N 2 2 344.434 2.420 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+]1Cc1cc(C)ccc1F ZINC001481070101 1179678664 /nfs/dbraw/zinc/67/86/64/1179678664.db2.gz MNBFYBURQAMMLP-QGZVFWFLSA-N 2 2 344.434 2.420 10 0 EEAELP C[C@@](C[NH2+]Cc1ccnc(Cl)c1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267860703 1180643920 /nfs/dbraw/zinc/64/39/20/1180643920.db2.gz PZJFYCIHQFWTQG-KRWDZBQOSA-N 2 2 347.850 2.075 10 0 EEAELP Cc1ccncc1C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001481358330 1181116248 /nfs/dbraw/zinc/11/62/48/1181116248.db2.gz RGEMFLRAHCWURD-UHFFFAOYSA-N 2 2 329.448 2.003 10 0 EEAELP Cc1ccncc1C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001481358330 1181116250 /nfs/dbraw/zinc/11/62/50/1181116250.db2.gz RGEMFLRAHCWURD-UHFFFAOYSA-N 2 2 329.448 2.003 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2cncc(F)c2)C1 ZINC001481412120 1181253500 /nfs/dbraw/zinc/25/35/00/1181253500.db2.gz PTUAGNUIVCQLNL-SFHVURJKSA-N 2 2 348.466 2.129 10 0 EEAELP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC001481412120 1181253523 /nfs/dbraw/zinc/25/35/23/1181253523.db2.gz PTUAGNUIVCQLNL-SFHVURJKSA-N 2 2 348.466 2.129 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001481742334 1182471998 /nfs/dbraw/zinc/47/19/98/1182471998.db2.gz CLPPBGVWEKOHDE-LSDHHAIUSA-N 2 2 347.488 2.332 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)sn1 ZINC001481742334 1182472001 /nfs/dbraw/zinc/47/20/01/1182472001.db2.gz CLPPBGVWEKOHDE-LSDHHAIUSA-N 2 2 347.488 2.332 10 0 EEAELP C[C@H](CC[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)Cc1c[nH+]cn1C ZINC001268414165 1182568301 /nfs/dbraw/zinc/56/83/01/1182568301.db2.gz JHJMQWFTQJFITR-KGLIPLIRSA-N 2 2 342.434 2.273 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001481774378 1182669115 /nfs/dbraw/zinc/66/91/15/1182669115.db2.gz CLMSXQMPSJFNQM-DLBZAZTESA-N 2 2 348.491 2.326 10 0 EEAELP CCN(C(=O)C[C@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC001481774378 1182669120 /nfs/dbraw/zinc/66/91/20/1182669120.db2.gz CLMSXQMPSJFNQM-DLBZAZTESA-N 2 2 348.491 2.326 10 0 EEAELP CC[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CC=C(C)C ZINC001481813636 1182729028 /nfs/dbraw/zinc/72/90/28/1182729028.db2.gz JWWBMEHZQRYMRS-WMLDXEAASA-N 2 2 333.480 2.241 10 0 EEAELP CC[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH2+]CC=C(C)C ZINC001481813636 1182729035 /nfs/dbraw/zinc/72/90/35/1182729035.db2.gz JWWBMEHZQRYMRS-WMLDXEAASA-N 2 2 333.480 2.241 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCc1ccccc1 ZINC001481820214 1182748602 /nfs/dbraw/zinc/74/86/02/1182748602.db2.gz BSJIEVOMPHWZDR-BRWVUGGUSA-N 2 2 326.444 2.240 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCc1ccccc1 ZINC001481820214 1182748610 /nfs/dbraw/zinc/74/86/10/1182748610.db2.gz BSJIEVOMPHWZDR-BRWVUGGUSA-N 2 2 326.444 2.240 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]C/C(Cl)=C\Cl ZINC001481852026 1182804279 /nfs/dbraw/zinc/80/42/79/1182804279.db2.gz LQHZMKWCESOAPN-WVZIHWCRSA-N 2 2 345.274 2.327 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC1(C[NH2+]C[C@@H]2CCO[C@H](C)C2)CCCC1 ZINC001481912553 1182935790 /nfs/dbraw/zinc/93/57/90/1182935790.db2.gz YETFPUWLVASHOH-GDBMZVCRSA-N 2 2 348.491 2.094 10 0 EEAELP O=C([C@H]1CCn2c[nH+]cc2C1)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001481981537 1183076142 /nfs/dbraw/zinc/07/61/42/1183076142.db2.gz SCZGJNHTSDLQML-HOTGVXAUSA-N 2 2 336.455 2.023 10 0 EEAELP CO[C@H](C[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2)CC1)C1CCCC1 ZINC001482027420 1183157001 /nfs/dbraw/zinc/15/70/01/1183157001.db2.gz CNFOERNESHZBIG-KZNAEPCWSA-N 2 2 348.491 2.105 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001482048653 1183233293 /nfs/dbraw/zinc/23/32/93/1183233293.db2.gz ZLXCKEPSUOFWLB-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CC=C(Cl)Cl ZINC001482119106 1183356011 /nfs/dbraw/zinc/35/60/11/1183356011.db2.gz TWMKMRIKWDKLLT-NEPJUHHUSA-N 2 2 345.274 2.106 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]CC1=CCCCC1 ZINC001482142678 1183453960 /nfs/dbraw/zinc/45/39/60/1183453960.db2.gz NJLHGZCIAYSYBV-USXIJHARSA-N 2 2 330.476 2.366 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(F)(F)C(F)F ZINC001482173106 1183500162 /nfs/dbraw/zinc/50/01/62/1183500162.db2.gz FXGOKNAZICWSOD-NEPJUHHUSA-N 2 2 341.393 2.103 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(F)(F)C(F)F ZINC001482173106 1183500165 /nfs/dbraw/zinc/50/01/65/1183500165.db2.gz FXGOKNAZICWSOD-NEPJUHHUSA-N 2 2 341.393 2.103 10 0 EEAELP C[C@H](C[N@H+](C)CCOCC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268740296 1183660997 /nfs/dbraw/zinc/66/09/97/1183660997.db2.gz SZDYGTCZBODIMP-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@H](C[N@@H+](C)CCOCC1CCC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001268740296 1183661001 /nfs/dbraw/zinc/66/10/01/1183661001.db2.gz SZDYGTCZBODIMP-OAHLLOKOSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CCC[NH2+]Cc2cncc(F)c2)c[nH+]1 ZINC001268799932 1183715674 /nfs/dbraw/zinc/71/56/74/1183715674.db2.gz 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C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)C2 ZINC000872154189 1198061327 /nfs/dbraw/zinc/06/13/27/1198061327.db2.gz RABNFYQSYAQOCE-UXEPBGEESA-N 2 2 337.826 2.126 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)C2 ZINC000872154189 1198061339 /nfs/dbraw/zinc/06/13/39/1198061339.db2.gz RABNFYQSYAQOCE-UXEPBGEESA-N 2 2 337.826 2.126 10 0 EEAELP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000872235188 1198103081 /nfs/dbraw/zinc/10/30/81/1198103081.db2.gz DGTKPXNZHCVWIS-DLBZAZTESA-N 2 2 326.481 2.077 10 0 EEAELP CCOC(=O)CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000872235188 1198103086 /nfs/dbraw/zinc/10/30/86/1198103086.db2.gz DGTKPXNZHCVWIS-DLBZAZTESA-N 2 2 326.481 2.077 10 0 EEAELP CC(C)COCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490798949 1198421989 /nfs/dbraw/zinc/42/19/89/1198421989.db2.gz OGKXXXQJYHJEHO-KURKYZTESA-N 2 2 348.491 2.182 10 0 EEAELP CC(C)COCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001490798949 1198421991 /nfs/dbraw/zinc/42/19/91/1198421991.db2.gz OGKXXXQJYHJEHO-KURKYZTESA-N 2 2 348.491 2.182 10 0 EEAELP Cc1cc(C)c(NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC001411275558 1199048754 /nfs/dbraw/zinc/04/87/54/1199048754.db2.gz RCOKXLLKUPETRF-SJORKVTESA-N 2 2 341.459 2.414 10 0 EEAELP Cc1cc(C)c(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c(C)[nH+]1 ZINC001411275558 1199048762 /nfs/dbraw/zinc/04/87/62/1199048762.db2.gz RCOKXLLKUPETRF-SJORKVTESA-N 2 2 341.459 2.414 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@@H+]1CCCCCF ZINC001691697158 1199144009 /nfs/dbraw/zinc/14/40/09/1199144009.db2.gz SHEPQZYMRUQGME-INMHGKMJSA-N 2 2 336.455 2.164 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC[N@H+]1CCCCCF ZINC001691697158 1199144012 /nfs/dbraw/zinc/14/40/12/1199144012.db2.gz SHEPQZYMRUQGME-INMHGKMJSA-N 2 2 336.455 2.164 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000810249293 1199401066 /nfs/dbraw/zinc/40/10/66/1199401066.db2.gz SYSVYBDIAKCHIB-IBGZPJMESA-N 2 2 333.451 2.331 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000810249293 1199401068 /nfs/dbraw/zinc/40/10/68/1199401068.db2.gz SYSVYBDIAKCHIB-IBGZPJMESA-N 2 2 333.451 2.331 10 0 EEAELP C[C@H](C[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1)NC(=O)OC(C)(C)C ZINC000866413016 1201511449 /nfs/dbraw/zinc/51/14/49/1201511449.db2.gz DXFOYJLPVKRACD-KFWWJZLASA-N 2 2 343.512 2.113 10 0 EEAELP C[C@H](C[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1)NC(=O)OC(C)(C)C ZINC000866413016 1201511453 /nfs/dbraw/zinc/51/14/53/1201511453.db2.gz DXFOYJLPVKRACD-KFWWJZLASA-N 2 2 343.512 2.113 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000866449186 1201520013 /nfs/dbraw/zinc/52/00/13/1201520013.db2.gz ZFEQABVPRGKRQD-OROXICGFSA-N 2 2 327.472 2.305 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000866449186 1201520017 /nfs/dbraw/zinc/52/00/17/1201520017.db2.gz ZFEQABVPRGKRQD-OROXICGFSA-N 2 2 327.472 2.305 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000868546371 1201832244 /nfs/dbraw/zinc/83/22/44/1201832244.db2.gz UUEYZZOYLKBFLX-PKOBYXMFSA-N 2 2 342.487 2.489 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000868546371 1201832246 /nfs/dbraw/zinc/83/22/46/1201832246.db2.gz UUEYZZOYLKBFLX-PKOBYXMFSA-N 2 2 342.487 2.489 10 0 EEAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000868546371 1201832248 /nfs/dbraw/zinc/83/22/48/1201832248.db2.gz UUEYZZOYLKBFLX-PKOBYXMFSA-N 2 2 342.487 2.489 10 0 EEAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000868546371 1201832249 /nfs/dbraw/zinc/83/22/49/1201832249.db2.gz UUEYZZOYLKBFLX-PKOBYXMFSA-N 2 2 342.487 2.489 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(C)cnc3F)CC2)CC1 ZINC000868924205 1201906780 /nfs/dbraw/zinc/90/67/80/1201906780.db2.gz ZXGWOPZSSIAPRC-UHFFFAOYSA-N 2 2 348.466 2.161 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(C)cnc3F)CC2)CC1 ZINC000868924205 1201906782 /nfs/dbraw/zinc/90/67/82/1201906782.db2.gz ZXGWOPZSSIAPRC-UHFFFAOYSA-N 2 2 348.466 2.161 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC/C=C\C[NH2+]CC1CCCC1 ZINC001274047765 1204344797 /nfs/dbraw/zinc/34/47/97/1204344797.db2.gz GWXAYVFHWARQCL-PLNGDYQASA-N 2 2 330.476 2.214 10 0 EEAELP O=C(NCC=CC[NH2+]CC[C@@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001274125600 1204389451 /nfs/dbraw/zinc/38/94/51/1204389451.db2.gz RYIDVTJVJBRAII-YPQKKHBXSA-N 2 2 342.443 2.398 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001274141979 1204401010 /nfs/dbraw/zinc/40/10/10/1204401010.db2.gz KHWMDFLNBWEKIE-DCKQQPRJSA-N 2 2 338.455 2.216 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)no1 ZINC001274151956 1204411069 /nfs/dbraw/zinc/41/10/69/1204411069.db2.gz DFLSHOZHGXNCDC-BQYQJAHWSA-N 2 2 348.491 2.398 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)no1 ZINC001274151956 1204411071 /nfs/dbraw/zinc/41/10/71/1204411071.db2.gz DFLSHOZHGXNCDC-BQYQJAHWSA-N 2 2 348.491 2.398 10 0 EEAELP CN(CCC[NH2+]CC1CCOCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001276075766 1205762694 /nfs/dbraw/zinc/76/26/94/1205762694.db2.gz DEPVUCZOKASNGW-UHFFFAOYSA-N 2 2 330.432 2.041 10 0 EEAELP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccns1 ZINC000924680653 1206016753 /nfs/dbraw/zinc/01/67/53/1206016753.db2.gz VCCBJSBTTWKWFT-AWEZNQCLSA-N 2 2 344.484 2.382 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CN4C[C@@H]3CCC4)CC2)cc1 ZINC000925149619 1206076658 /nfs/dbraw/zinc/07/66/58/1206076658.db2.gz SMMUHSUXQCKVMT-OXJNMPFZSA-N 2 2 328.504 2.405 10 0 EEAELP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925793963 1206154533 /nfs/dbraw/zinc/15/45/33/1206154533.db2.gz KBERAOAIHDQPPR-IAGOWNOFSA-N 2 2 345.487 2.176 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccccc2N2CCCCC2)CC1 ZINC000925901476 1206165708 /nfs/dbraw/zinc/16/57/08/1206165708.db2.gz ICGFWHIBCSQWFV-UHFFFAOYSA-N 2 2 345.491 2.222 10 0 EEAELP CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@@H]1[NH3+] ZINC000925915791 1206167709 /nfs/dbraw/zinc/16/77/09/1206167709.db2.gz OIXPYTBHAUWMJO-ZDUSSCGKSA-N 2 2 337.493 2.330 10 0 EEAELP C[C@@H](c1cccc(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000926015745 1206182139 /nfs/dbraw/zinc/18/21/39/1206182139.db2.gz AAJPHRZHDDWQMD-VYDXJSESSA-N 2 2 346.475 2.057 10 0 EEAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000926125641 1206195472 /nfs/dbraw/zinc/19/54/72/1206195472.db2.gz MSJCYSOENMHJRP-KBXCAEBGSA-N 2 2 343.475 2.024 10 0 EEAELP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000926125641 1206195473 /nfs/dbraw/zinc/19/54/73/1206195473.db2.gz MSJCYSOENMHJRP-KBXCAEBGSA-N 2 2 343.475 2.024 10 0 EEAELP CON1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000929772030 1206500194 /nfs/dbraw/zinc/50/01/94/1206500194.db2.gz DBZZSGATLPPDJY-ICSRJNTNSA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000929772030 1206500196 /nfs/dbraw/zinc/50/01/96/1206500196.db2.gz DBZZSGATLPPDJY-ICSRJNTNSA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000929772030 1206500198 /nfs/dbraw/zinc/50/01/98/1206500198.db2.gz DBZZSGATLPPDJY-ICSRJNTNSA-N 2 2 343.471 2.137 10 0 EEAELP CON1CC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000929772030 1206500199 /nfs/dbraw/zinc/50/01/99/1206500199.db2.gz DBZZSGATLPPDJY-ICSRJNTNSA-N 2 2 343.471 2.137 10 0 EEAELP CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929796084 1206502825 /nfs/dbraw/zinc/50/28/25/1206502825.db2.gz ZTIVMDMVORTQSY-QFBILLFUSA-N 2 2 345.487 2.220 10 0 EEAELP CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000929796084 1206502827 /nfs/dbraw/zinc/50/28/27/1206502827.db2.gz ZTIVMDMVORTQSY-QFBILLFUSA-N 2 2 345.487 2.220 10 0 EEAELP COC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857214 1206587934 /nfs/dbraw/zinc/58/79/34/1206587934.db2.gz CMSCOBXIJAUMKL-OWCLPIDISA-N 2 2 334.460 2.289 10 0 EEAELP COC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857214 1206587935 /nfs/dbraw/zinc/58/79/35/1206587935.db2.gz CMSCOBXIJAUMKL-OWCLPIDISA-N 2 2 334.460 2.289 10 0 EEAELP COC(=O)[C@@H](C)[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857214 1206587936 /nfs/dbraw/zinc/58/79/36/1206587936.db2.gz CMSCOBXIJAUMKL-OWCLPIDISA-N 2 2 334.460 2.289 10 0 EEAELP COC(=O)[C@@H](C)[NH+](C)Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930857214 1206587937 /nfs/dbraw/zinc/58/79/37/1206587937.db2.gz CMSCOBXIJAUMKL-OWCLPIDISA-N 2 2 334.460 2.289 10 0 EEAELP CN1CC[C@H]([N@@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC000931215437 1206616600 /nfs/dbraw/zinc/61/66/00/1206616600.db2.gz XXLPWYKCBMGEOY-YSIASYRMSA-N 2 2 327.472 2.061 10 0 EEAELP CN1CC[C@H]([N@H+]2C[C@@]3(C)C[NH+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC000931215437 1206616601 /nfs/dbraw/zinc/61/66/01/1206616601.db2.gz XXLPWYKCBMGEOY-YSIASYRMSA-N 2 2 327.472 2.061 10 0 EEAELP CN1CC[C@H]([NH+]2C[C@@]3(C)C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC000931215437 1206616602 /nfs/dbraw/zinc/61/66/02/1206616602.db2.gz XXLPWYKCBMGEOY-YSIASYRMSA-N 2 2 327.472 2.061 10 0 EEAELP CN1CC[C@H]([NH+]2C[C@@]3(C)C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)C1=O ZINC000931215437 1206616603 /nfs/dbraw/zinc/61/66/03/1206616603.db2.gz XXLPWYKCBMGEOY-YSIASYRMSA-N 2 2 327.472 2.061 10 0 EEAELP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C[C@H]21 ZINC000931283354 1206621856 /nfs/dbraw/zinc/62/18/56/1206621856.db2.gz UYEOVLJKWAOZSR-UUIJZJDISA-N 2 2 345.270 2.225 10 0 EEAELP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C[C@H]21 ZINC000931283354 1206621857 /nfs/dbraw/zinc/62/18/57/1206621857.db2.gz UYEOVLJKWAOZSR-UUIJZJDISA-N 2 2 345.270 2.225 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000933740478 1207830722 /nfs/dbraw/zinc/83/07/22/1207830722.db2.gz OCLWDKTYTJJWQE-APWZRJJASA-N 2 2 329.444 2.101 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[NH+]2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000933740478 1207830726 /nfs/dbraw/zinc/83/07/26/1207830726.db2.gz OCLWDKTYTJJWQE-APWZRJJASA-N 2 2 329.444 2.101 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000933740478 1207830729 /nfs/dbraw/zinc/83/07/29/1207830729.db2.gz OCLWDKTYTJJWQE-APWZRJJASA-N 2 2 329.444 2.101 10 0 EEAELP CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H]3C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000933740478 1207830734 /nfs/dbraw/zinc/83/07/34/1207830734.db2.gz OCLWDKTYTJJWQE-APWZRJJASA-N 2 2 329.444 2.101 10 0 EEAELP Cc1nnc(CC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)o1 ZINC001413050074 1219710234 /nfs/dbraw/zinc/71/02/34/1219710234.db2.gz GIEHBPDICQYMDU-PKOBYXMFSA-N 2 2 326.444 2.374 10 0 EEAELP Cc1nnc(CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@]3(C)C2)o1 ZINC001413050074 1219710237 /nfs/dbraw/zinc/71/02/37/1219710237.db2.gz GIEHBPDICQYMDU-PKOBYXMFSA-N 2 2 326.444 2.374 10 0 EEAELP Cc1nnc(CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)o1 ZINC001413050074 1219710243 /nfs/dbraw/zinc/71/02/43/1219710243.db2.gz GIEHBPDICQYMDU-PKOBYXMFSA-N 2 2 326.444 2.374 10 0 EEAELP Cc1nnc(CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@@]3(C)C2)o1 ZINC001413050074 1219710245 /nfs/dbraw/zinc/71/02/45/1219710245.db2.gz GIEHBPDICQYMDU-PKOBYXMFSA-N 2 2 326.444 2.374 10 0 EEAELP C/C(=C/C(=O)Nc1cc(C)cc(C[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000901231101 1235424047 /nfs/dbraw/zinc/42/40/47/1235424047.db2.gz UFKRUYZTWKUQIB-WJDWOHSUSA-N 2 2 331.460 2.274 10 0 EEAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+]3C)n2)C1 ZINC000902934163 1239122281 /nfs/dbraw/zinc/12/22/81/1239122281.db2.gz NRZITJRREYDPSK-TZMCWYRMSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CC[NH+]3C)n2)C1 ZINC000902934163 1239122284 /nfs/dbraw/zinc/12/22/84/1239122284.db2.gz NRZITJRREYDPSK-TZMCWYRMSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@@H+]3C)n2)C1 ZINC000902934163 1239122288 /nfs/dbraw/zinc/12/22/88/1239122288.db2.gz NRZITJRREYDPSK-TZMCWYRMSA-N 2 2 337.493 2.201 10 0 EEAELP C[C@@H]1CCC[NH+](Cc2csc(NC(=O)NC[C@H]3CC[N@H+]3C)n2)C1 ZINC000902934163 1239122291 /nfs/dbraw/zinc/12/22/91/1239122291.db2.gz NRZITJRREYDPSK-TZMCWYRMSA-N 2 2 337.493 2.201 10 0 EEAELP CC(C)O[C@]1(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCOC1 ZINC000903360945 1240308203 /nfs/dbraw/zinc/30/82/03/1240308203.db2.gz MSAIKVKGGDPIKK-HOJAQTOUSA-N 2 2 347.503 2.466 10 0 EEAELP CC(C)O[C@]1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CCOC1 ZINC000903360945 1240308206 /nfs/dbraw/zinc/30/82/06/1240308206.db2.gz MSAIKVKGGDPIKK-HOJAQTOUSA-N 2 2 347.503 2.466 10 0 EEAELP COc1cccc(Cl)c1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903925307 1242521506 /nfs/dbraw/zinc/52/15/06/1242521506.db2.gz 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10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CCOC1CCCCCC1 ZINC001321722244 1333148513 /nfs/dbraw/zinc/14/85/13/1333148513.db2.gz CVLMACQUQJZCBO-CQSZACIVSA-N 2 2 336.480 2.094 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H](C)C[NH2+]CCc1cccs1 ZINC001321896916 1333175060 /nfs/dbraw/zinc/17/50/60/1333175060.db2.gz KTRHLZKHYBDZIP-ZDUSSCGKSA-N 2 2 333.457 2.031 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)c2ccn3c(C)c[nH+]c3c2)no1 ZINC001322505257 1333273073 /nfs/dbraw/zinc/27/30/73/1333273073.db2.gz JPZPWQSGIIYRHW-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H]1C[NH2+]CCCc1ccsc1 ZINC001324286166 1333649859 /nfs/dbraw/zinc/64/98/59/1333649859.db2.gz PNDSKGGRTNOUCX-INIZCTEOSA-N 2 2 332.473 2.158 10 0 EEAELP C[C@@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001324762111 1333754669 /nfs/dbraw/zinc/75/46/69/1333754669.db2.gz GGCKGLIJJRYWKZ-FQEVSTJZSA-N 2 2 340.471 2.344 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N(CCO)CC[NH2+]CC1=CCCCC1 ZINC001326045334 1334019737 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FLGFOTPSWWZQKI-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001327129033 1334229290 /nfs/dbraw/zinc/22/92/90/1334229290.db2.gz FLGFOTPSWWZQKI-BRWVUGGUSA-N 2 2 348.491 2.299 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2CCN(C(=O)Cn3cc[nH+]c3)[C@@H]2C)c1 ZINC001331943658 1335683666 /nfs/dbraw/zinc/68/36/66/1335683666.db2.gz KHBPQADLPWFWPH-MJGOQNOKSA-N 2 2 340.471 2.403 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001332295717 1335795290 /nfs/dbraw/zinc/79/52/90/1335795290.db2.gz ZXNNARLXIKRJNC-QWHCGFSZSA-N 2 2 332.370 2.100 10 0 EEAELP C/C(=C/c1ccncc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000847409115 1338037916 /nfs/dbraw/zinc/03/79/16/1338037916.db2.gz JAURZLOZPOTLRE-NXVVXOECSA-N 2 2 342.487 2.160 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1 ZINC001436364770 1342054272 /nfs/dbraw/zinc/05/42/72/1342054272.db2.gz DYKRRPULDBPFQE-QWQRMKEZSA-N 2 2 342.418 2.194 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001670150761 1356285768 /nfs/dbraw/zinc/28/57/68/1356285768.db2.gz WKZRSUZKVGEZQN-MRXNPFEDSA-N 2 2 344.434 2.223 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC001506584083 1342261087 /nfs/dbraw/zinc/26/10/87/1342261087.db2.gz QVUFBNNRKMVQHZ-GOSISDBHSA-N 2 2 326.444 2.444 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC001506584083 1342261090 /nfs/dbraw/zinc/26/10/90/1342261090.db2.gz QVUFBNNRKMVQHZ-GOSISDBHSA-N 2 2 326.444 2.444 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CCCCC(F)(F)F ZINC001567028997 1342683428 /nfs/dbraw/zinc/68/34/28/1342683428.db2.gz OAQDSDJBIFAXNK-QWHCGFSZSA-N 2 2 346.397 2.272 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@H+]1Cc1cncc(F)c1 ZINC001567261745 1342726633 /nfs/dbraw/zinc/72/66/33/1342726633.db2.gz YNUFIBSLUDSVSW-KRWDZBQOSA-N 2 2 345.422 2.047 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@H]1CCC[N@@H+]1Cc1cncc(F)c1 ZINC001567261745 1342726636 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CC(C)[N@@H+](CCCNC(=O)Cc1[nH]cc[nH+]1)Cc1ccc(Cl)nc1 ZINC001691756657 1357417536 /nfs/dbraw/zinc/41/75/36/1357417536.db2.gz PEPOFUGFYUQZRI-UHFFFAOYSA-N 2 2 349.866 2.418 10 0 EEAELP O=C(N[C@H]1C[C@H]([NH2+]CCC[C@H]2CCOC2)C1)c1cccc2[nH+]ccn21 ZINC001649439070 1353505373 /nfs/dbraw/zinc/50/53/73/1353505373.db2.gz UPRWAISYVKOUOT-JYJNAYRXSA-N 2 2 342.443 2.001 10 0 EEAELP Cc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC001649917134 1353648862 /nfs/dbraw/zinc/64/88/62/1353648862.db2.gz OSDDFWIRQXVDIB-MJGOQNOKSA-N 2 2 338.455 2.287 10 0 EEAELP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)N[C@@H]2Cc3c[nH+]cn3C2)c1 ZINC001649917134 1353648864 /nfs/dbraw/zinc/64/88/64/1353648864.db2.gz OSDDFWIRQXVDIB-MJGOQNOKSA-N 2 2 338.455 2.287 10 0 EEAELP CCNc1cc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)cc[nH+]1 ZINC001650537943 1353979722 /nfs/dbraw/zinc/97/97/22/1353979722.db2.gz ZHZUFEUEOAMPGH-UHFFFAOYSA-N 2 2 333.480 2.435 10 0 EEAELP C[C@H](C[NH2+]CCc1ccns1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001666933202 1355617826 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2.437 10 0 EEAELP CCOCC[NH+]1CCC(C)(CNC(=O)C[C@@H](C)n2cc[nH+]c2)CC1 ZINC001671853983 1356425571 /nfs/dbraw/zinc/42/55/71/1356425571.db2.gz IURUCTWZKXQGKQ-MRXNPFEDSA-N 2 2 336.480 2.089 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001672425530 1356521286 /nfs/dbraw/zinc/52/12/86/1356521286.db2.gz XLJKZJSVNVFECS-ZFULPLIJSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4c[nH+]cc4C3)C[C@H]2C1 ZINC001672425530 1356521287 /nfs/dbraw/zinc/52/12/87/1356521287.db2.gz XLJKZJSVNVFECS-ZFULPLIJSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C/CC[NH+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)CC1 ZINC001673021352 1356633366 /nfs/dbraw/zinc/63/33/66/1356633366.db2.gz SPMMHVVTSNUABZ-SNAWJCMRSA-N 2 2 330.476 2.243 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2COCC[NH+]2CCC2=CCCCC2)C1 ZINC001673060593 1356639873 /nfs/dbraw/zinc/63/98/73/1356639873.db2.gz WZSNIIFRACNCHR-PKOBYXMFSA-N 2 2 349.519 2.036 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2COCC[NH+]2CCC2=CCCCC2)C1 ZINC001673060593 1356639876 /nfs/dbraw/zinc/63/98/76/1356639876.db2.gz WZSNIIFRACNCHR-PKOBYXMFSA-N 2 2 349.519 2.036 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@@H+]2CCC2=CCCCC2)C1 ZINC001673060593 1356639880 /nfs/dbraw/zinc/63/98/80/1356639880.db2.gz WZSNIIFRACNCHR-PKOBYXMFSA-N 2 2 349.519 2.036 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2COCC[N@H+]2CCC2=CCCCC2)C1 ZINC001673060593 1356639884 /nfs/dbraw/zinc/63/98/84/1356639884.db2.gz WZSNIIFRACNCHR-PKOBYXMFSA-N 2 2 349.519 2.036 10 0 EEAELP CCOCCC[NH2+]C1(C)CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001673965870 1356766016 /nfs/dbraw/zinc/76/60/16/1356766016.db2.gz CWAKTODWGINHKA-UHFFFAOYSA-N 2 2 344.459 2.345 10 0 EEAELP C[C@@H]([NH2+]CCOCC1CCC1)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001674702346 1356879822 /nfs/dbraw/zinc/87/98/22/1356879822.db2.gz TYSKPWCPTAIHPW-CABCVRRESA-N 2 2 344.459 2.247 10 0 EEAELP Cc1nc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001698849948 1405108261 /nfs/dbraw/zinc/10/82/61/1405108261.db2.gz ZWBZYDHMYYAFLH-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cs1 ZINC001698849948 1405108268 /nfs/dbraw/zinc/10/82/68/1405108268.db2.gz ZWBZYDHMYYAFLH-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001698867480 1405120294 /nfs/dbraw/zinc/12/02/94/1405120294.db2.gz KZOVIPVQNLSULV-PBHICJAKSA-N 2 2 335.496 2.321 10 0 EEAELP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001698867480 1405120298 /nfs/dbraw/zinc/12/02/98/1405120298.db2.gz KZOVIPVQNLSULV-PBHICJAKSA-N 2 2 335.496 2.321 10 0 EEAELP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001698867481 1405120857 /nfs/dbraw/zinc/12/08/57/1405120857.db2.gz KZOVIPVQNLSULV-RHSMWYFYSA-N 2 2 335.496 2.321 10 0 EEAELP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001698867481 1405120870 /nfs/dbraw/zinc/12/08/70/1405120870.db2.gz KZOVIPVQNLSULV-RHSMWYFYSA-N 2 2 335.496 2.321 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]CCCc1ccccc1 ZINC001698891494 1405133870 /nfs/dbraw/zinc/13/38/70/1405133870.db2.gz HWTWQUTVHGBSGF-AEFFLSMTSA-N 2 2 340.471 2.412 10 0 EEAELP COCCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001699842230 1405521420 /nfs/dbraw/zinc/52/14/20/1405521420.db2.gz QUAIHLBSUOPKLX-LJQANCHMSA-N 2 2 344.459 2.203 10 0 EEAELP C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001699946740 1405597313 /nfs/dbraw/zinc/59/73/13/1405597313.db2.gz DIVAFKKUYQAVFY-FUHWJXTLSA-N 2 2 340.471 2.412 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000825247515 788533073 /nfs/dbraw/zinc/53/30/73/788533073.db2.gz SXSWSCQZXWWRJD-ZIAGYGMSSA-N 2 2 338.835 2.079 10 0 EEAELP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Cl ZINC000825247515 788533081 /nfs/dbraw/zinc/53/30/81/788533081.db2.gz SXSWSCQZXWWRJD-ZIAGYGMSSA-N 2 2 338.835 2.079 10 0 EEAELP C[NH2+]C1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000923286089 789309220 /nfs/dbraw/zinc/30/92/20/789309220.db2.gz HDXZNABTMHGZHM-LBPRGKRZSA-N 2 2 333.259 2.417 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000923397152 789493959 /nfs/dbraw/zinc/49/39/59/789493959.db2.gz ALVOPQXPYKAYKZ-UONOGXRCSA-N 2 2 325.250 2.357 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C34CC(C(F)(F)F)(C3)C4)C2)CC1 ZINC000786958806 806947183 /nfs/dbraw/zinc/94/71/83/806947183.db2.gz NEDRTHYICNNDIV-UWTIGNOOSA-N 2 2 345.409 2.004 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C34CC(C(F)(F)F)(C3)C4)C2)CC1 ZINC000786958806 806947189 /nfs/dbraw/zinc/94/71/89/806947189.db2.gz NEDRTHYICNNDIV-UWTIGNOOSA-N 2 2 345.409 2.004 10 0 EEAELP C[C@H]([NH2+]CCOCC1CCC1)[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001566532876 1125702876 /nfs/dbraw/zinc/70/28/76/1125702876.db2.gz JEJUIPQCAWKQHF-YJBOKZPZSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(NCCC[N@H+](CCC1CC1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001566590751 1125780981 /nfs/dbraw/zinc/78/09/81/1125780981.db2.gz VKBYPEDASZSLIV-MRXNPFEDSA-N 2 2 330.476 2.216 10 0 EEAELP O=C(NCCC[N@@H+](CCC1CC1)C1CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001566590751 1125780986 /nfs/dbraw/zinc/78/09/86/1125780986.db2.gz VKBYPEDASZSLIV-MRXNPFEDSA-N 2 2 330.476 2.216 10 0 EEAELP Cc1ncsc1C[NH2+][C@@H]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001436414402 1087767803 /nfs/dbraw/zinc/76/78/03/1087767803.db2.gz MSMBWYJASBPLLQ-LSDHHAIUSA-N 2 2 347.488 2.113 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1coc(C)n1 ZINC001436444744 1087857922 /nfs/dbraw/zinc/85/79/22/1087857922.db2.gz HCAAEXBIWMERLD-BBWFWOEESA-N 2 2 336.480 2.038 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@H+]1Cc1coc(C)n1 ZINC001436444744 1087857940 /nfs/dbraw/zinc/85/79/40/1087857940.db2.gz HCAAEXBIWMERLD-BBWFWOEESA-N 2 2 336.480 2.038 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CCc1cccs1 ZINC001436482120 1087968842 /nfs/dbraw/zinc/96/88/42/1087968842.db2.gz RZHZKNDTEDREFM-CJNGLKHVSA-N 2 2 332.473 2.226 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CCc1cccs1 ZINC001436482120 1087968852 /nfs/dbraw/zinc/96/88/52/1087968852.db2.gz RZHZKNDTEDREFM-CJNGLKHVSA-N 2 2 332.473 2.226 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CCc1cccs1 ZINC001436482120 1087968863 /nfs/dbraw/zinc/96/88/63/1087968863.db2.gz RZHZKNDTEDREFM-CJNGLKHVSA-N 2 2 332.473 2.226 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CCc1cccs1 ZINC001436482120 1087968876 /nfs/dbraw/zinc/96/88/76/1087968876.db2.gz RZHZKNDTEDREFM-CJNGLKHVSA-N 2 2 332.473 2.226 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001437062093 1088970811 /nfs/dbraw/zinc/97/08/11/1088970811.db2.gz ZIRYCZNDWNABQX-GXTWGEPZSA-N 2 2 347.488 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC001437062093 1088970827 /nfs/dbraw/zinc/97/08/27/1088970827.db2.gz ZIRYCZNDWNABQX-GXTWGEPZSA-N 2 2 347.488 2.134 10 0 EEAELP CCO[C@H](C[NH2+]C1CCC(NC(=O)Cc2[nH]c[nH+]c2C)CC1)C1CC1 ZINC001437086199 1089031442 /nfs/dbraw/zinc/03/14/42/1089031442.db2.gz AINZUCPWHQCYDJ-LEOMRAHMSA-N 2 2 348.491 2.093 10 0 EEAELP CC1(C)CO[C@@H](C[NH2+]C2CCC(NC(=O)CCn3cc[nH+]c3)CC2)C1 ZINC001437086648 1089033802 /nfs/dbraw/zinc/03/38/02/1089033802.db2.gz FAMRGGIDGAXPJL-OFLPRAFFSA-N 2 2 348.491 2.105 10 0 EEAELP CCc1nc(C[NH2+][C@@H](C)CNC(=O)C[C@H](C)n2cc[nH+]c2)cs1 ZINC001437211837 1089289463 /nfs/dbraw/zinc/28/94/63/1089289463.db2.gz NNONXSDSSZVFTR-STQMWFEESA-N 2 2 335.477 2.148 10 0 EEAELP Cc1conc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001437319544 1089481139 /nfs/dbraw/zinc/48/11/39/1089481139.db2.gz FPFPNENPOWBEMZ-HZPDHXFCSA-N 2 2 345.447 2.177 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@@H+]2CCC(F)(F)F)c[nH+]1 ZINC001437679781 1090214012 /nfs/dbraw/zinc/21/40/12/1090214012.db2.gz NIWBXGIDCHOBGL-CYBMUJFWSA-N 2 2 346.397 2.460 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H]2CCC[N@H+]2CCC(F)(F)F)c[nH+]1 ZINC001437679781 1090214015 /nfs/dbraw/zinc/21/40/15/1090214015.db2.gz NIWBXGIDCHOBGL-CYBMUJFWSA-N 2 2 346.397 2.460 10 0 EEAELP Cc1ncccc1C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001437683419 1090220920 /nfs/dbraw/zinc/22/09/20/1090220920.db2.gz UQRIEYXYBYJNIY-CRAIPNDOSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ncccc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001437683419 1090220932 /nfs/dbraw/zinc/22/09/32/1090220932.db2.gz UQRIEYXYBYJNIY-CRAIPNDOSA-N 2 2 341.459 2.318 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001437700153 1090245755 /nfs/dbraw/zinc/24/57/55/1090245755.db2.gz CYMIEARZLMMWHZ-KRWDZBQOSA-N 2 2 344.503 2.390 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001437700153 1090245759 /nfs/dbraw/zinc/24/57/59/1090245759.db2.gz CYMIEARZLMMWHZ-KRWDZBQOSA-N 2 2 344.503 2.390 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001437709820 1090256287 /nfs/dbraw/zinc/25/62/87/1090256287.db2.gz VWSPPKZNAIQCDT-MRXNPFEDSA-N 2 2 330.476 2.000 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001437709820 1090256289 /nfs/dbraw/zinc/25/62/89/1090256289.db2.gz VWSPPKZNAIQCDT-MRXNPFEDSA-N 2 2 330.476 2.000 10 0 EEAELP C[N@H+](CC(=O)N[C@H]1CCC[NH+](Cc2cncs2)C1)CC(C)(C)C ZINC001438029699 1090613035 /nfs/dbraw/zinc/61/30/35/1090613035.db2.gz ZJWLTVNBBVLQBT-AWEZNQCLSA-N 2 2 338.521 2.202 10 0 EEAELP C[N@@H+](CC(=O)N[C@H]1CCC[NH+](Cc2cncs2)C1)CC(C)(C)C ZINC001438029699 1090613041 /nfs/dbraw/zinc/61/30/41/1090613041.db2.gz ZJWLTVNBBVLQBT-AWEZNQCLSA-N 2 2 338.521 2.202 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CCC[N@H+](Cc2cncs2)C1)CC(C)(C)C ZINC001438029699 1090613043 /nfs/dbraw/zinc/61/30/43/1090613043.db2.gz ZJWLTVNBBVLQBT-AWEZNQCLSA-N 2 2 338.521 2.202 10 0 EEAELP C[NH+](CC(=O)N[C@H]1CCC[N@@H+](Cc2cncs2)C1)CC(C)(C)C ZINC001438029699 1090613047 /nfs/dbraw/zinc/61/30/47/1090613047.db2.gz ZJWLTVNBBVLQBT-AWEZNQCLSA-N 2 2 338.521 2.202 10 0 EEAELP C[C@@H](CC(=O)N[C@@](C)(C[NH2+]Cc1cccnc1)C1CC1)n1cc[nH+]c1 ZINC001438423925 1090919831 /nfs/dbraw/zinc/91/98/31/1090919831.db2.gz DKECEMZJSSRYQA-KXBFYZLASA-N 2 2 341.459 2.304 10 0 EEAELP CC(C)CC[N@@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001438592570 1091081230 /nfs/dbraw/zinc/08/12/30/1091081230.db2.gz XBPOSYFWOBWIIO-MOPGFXCFSA-N 2 2 347.503 2.152 10 0 EEAELP CC(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001438592570 1091081235 /nfs/dbraw/zinc/08/12/35/1091081235.db2.gz XBPOSYFWOBWIIO-MOPGFXCFSA-N 2 2 347.503 2.152 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001445400526 1091147276 /nfs/dbraw/zinc/14/72/76/1091147276.db2.gz SNYSXNXCRPIUSF-IAGOWNOFSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(F)c1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001438665934 1091154603 /nfs/dbraw/zinc/15/46/03/1091154603.db2.gz FHDLBFSHGIHROD-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001439332114 1092018810 /nfs/dbraw/zinc/01/88/10/1092018810.db2.gz ITRFQBKNVZQKLY-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001439332114 1092018824 /nfs/dbraw/zinc/01/88/24/1092018824.db2.gz ITRFQBKNVZQKLY-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001439332114 1092018833 /nfs/dbraw/zinc/01/88/33/1092018833.db2.gz ITRFQBKNVZQKLY-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001439332114 1092018844 /nfs/dbraw/zinc/01/88/44/1092018844.db2.gz ITRFQBKNVZQKLY-DJIMGWMZSA-N 2 2 326.444 2.458 10 0 EEAELP Cc1nocc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001439410160 1092175497 /nfs/dbraw/zinc/17/54/97/1092175497.db2.gz QPBQAFODWDPBTN-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1nocc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001439410160 1092175503 /nfs/dbraw/zinc/17/55/03/1092175503.db2.gz QPBQAFODWDPBTN-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1cc(C[N@H+]2CC[C@](C)(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)sn1 ZINC001439850712 1092866522 /nfs/dbraw/zinc/86/65/22/1092866522.db2.gz MKRPPNCUKYLMMS-PBHICJAKSA-N 2 2 347.488 2.380 10 0 EEAELP Cc1cc(C[N@@H+]2CC[C@](C)(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)sn1 ZINC001439850712 1092866527 /nfs/dbraw/zinc/86/65/27/1092866527.db2.gz MKRPPNCUKYLMMS-PBHICJAKSA-N 2 2 347.488 2.380 10 0 EEAELP Cc1cc(C[NH2+]C[C@]2(C)CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)on1 ZINC001439902494 1092966581 /nfs/dbraw/zinc/96/65/81/1092966581.db2.gz NITPITGRCCUJBX-SFHVURJKSA-N 2 2 345.447 2.012 10 0 EEAELP C[C@@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001440246759 1093338985 /nfs/dbraw/zinc/33/89/85/1093338985.db2.gz SZJPGEGFEGNYMP-DZGCQCFKSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@@H](CC(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001440246759 1093338991 /nfs/dbraw/zinc/33/89/91/1093338991.db2.gz SZJPGEGFEGNYMP-DZGCQCFKSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)c1cc(F)ccc1F ZINC001440363808 1093528793 /nfs/dbraw/zinc/52/87/93/1093528793.db2.gz WKXLYGMNWKANMK-UMVBOHGHSA-N 2 2 348.397 2.407 10 0 EEAELP C[N@H+](CCC1CCOCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001440520258 1093772129 /nfs/dbraw/zinc/77/21/29/1093772129.db2.gz NFUFYMXIRNRYAN-SFHVURJKSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CCC1CCOCC1)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001440520258 1093772135 /nfs/dbraw/zinc/77/21/35/1093772135.db2.gz NFUFYMXIRNRYAN-SFHVURJKSA-N 2 2 348.491 2.082 10 0 EEAELP CC(C)N(CC[N@H+](C)CCC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001449249795 1094197202 /nfs/dbraw/zinc/19/72/02/1094197202.db2.gz ADOQOGZLBJUOPI-KRWDZBQOSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)N(CC[N@@H+](C)CCC1CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001449249795 1094197204 /nfs/dbraw/zinc/19/72/04/1094197204.db2.gz ADOQOGZLBJUOPI-KRWDZBQOSA-N 2 2 332.492 2.414 10 0 EEAELP O=C(NC[C@@H]([NH2+]Cc1ccccc1)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001441200384 1094560891 /nfs/dbraw/zinc/56/08/91/1094560891.db2.gz HKKSGKNSYOQWRD-ZWKOTPCHSA-N 2 2 338.455 2.130 10 0 EEAELP CC(C)C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccon2)C1)n1cc[nH+]c1 ZINC001441350342 1094864196 /nfs/dbraw/zinc/86/41/96/1094864196.db2.gz FWACLQDVCHXNNR-XIRDDKMYSA-N 2 2 345.447 2.143 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)no1 ZINC001441508852 1095197471 /nfs/dbraw/zinc/19/74/71/1095197471.db2.gz GVOHGPPKSQYJOH-CABCVRRESA-N 2 2 347.463 2.330 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001442068964 1096280125 /nfs/dbraw/zinc/28/01/25/1096280125.db2.gz SAJKGPCXDURAKF-CABCVRRESA-N 2 2 336.480 2.267 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001442068964 1096280129 /nfs/dbraw/zinc/28/01/29/1096280129.db2.gz SAJKGPCXDURAKF-CABCVRRESA-N 2 2 336.480 2.267 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccon1 ZINC001442954496 1097371579 /nfs/dbraw/zinc/37/15/79/1097371579.db2.gz WYZMRMMKMWJSRZ-NVXWUHKLSA-N 2 2 336.480 2.123 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)Cc1ccon1 ZINC001442954496 1097371584 /nfs/dbraw/zinc/37/15/84/1097371584.db2.gz WYZMRMMKMWJSRZ-NVXWUHKLSA-N 2 2 336.480 2.123 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001444037072 1098557027 /nfs/dbraw/zinc/55/70/27/1098557027.db2.gz QVKWQLDWUDJVRK-ZIAGYGMSSA-N 2 2 328.407 2.193 10 0 EEAELP CC[C@H](F)C[NH2+]CC1(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CCCC1 ZINC001444083146 1098611435 /nfs/dbraw/zinc/61/14/35/1098611435.db2.gz WQAKOEFVFHXPQW-CABCVRRESA-N 2 2 336.455 2.212 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@@H+]1Cc1cncs1 ZINC001479642825 1098672252 /nfs/dbraw/zinc/67/22/52/1098672252.db2.gz RTSYJYNADHCSOL-CWRNSKLLSA-N 2 2 347.488 2.460 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC[N@H+]1Cc1cncs1 ZINC001479642825 1098672256 /nfs/dbraw/zinc/67/22/56/1098672256.db2.gz RTSYJYNADHCSOL-CWRNSKLLSA-N 2 2 347.488 2.460 10 0 EEAELP Cc1ncc(C[NH2+]C[C@@]2(NC(=O)Cc3[nH]cc[nH+]3)CCCC[C@@H]2C)o1 ZINC001444153745 1098698844 /nfs/dbraw/zinc/69/88/44/1098698844.db2.gz MYJRUQMQTKIHNW-UGSOOPFHSA-N 2 2 345.447 2.104 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCCC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001444238776 1098801289 /nfs/dbraw/zinc/80/12/89/1098801289.db2.gz NYRBRBUAZYHTNS-KRWDZBQOSA-N 2 2 348.491 2.130 10 0 EEAELP C[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@@H]1CC(C)(C)CO1 ZINC001479784684 1098980110 /nfs/dbraw/zinc/98/01/10/1098980110.db2.gz TVFHNFZUZYXSCQ-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@@H]1CC(C)(C)CO1 ZINC001479784684 1098980116 /nfs/dbraw/zinc/98/01/16/1098980116.db2.gz TVFHNFZUZYXSCQ-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)Cn2cc[nH+]c2)c(Cl)c1 ZINC001444421310 1099039757 /nfs/dbraw/zinc/03/97/57/1099039757.db2.gz OIFMPCKNJXCLJZ-AWEZNQCLSA-N 2 2 334.851 2.387 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001444594480 1099419603 /nfs/dbraw/zinc/41/96/03/1099419603.db2.gz LYXLEWGCQWEALG-AWEZNQCLSA-N 2 2 346.500 2.460 10 0 EEAELP O=C(N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001480212547 1099823970 /nfs/dbraw/zinc/82/39/70/1099823970.db2.gz WACQVSIZUFFHBF-YESZJQIVSA-N 2 2 330.476 2.263 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001480239636 1099873131 /nfs/dbraw/zinc/87/31/31/1099873131.db2.gz MWARMZBEDUFYBZ-ILOCAZANSA-N 2 2 330.476 2.336 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC001480264538 1099951692 /nfs/dbraw/zinc/95/16/92/1099951692.db2.gz FFEZDUMCWVRMQE-MAUKXSAKSA-N 2 2 338.455 2.468 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001480264538 1099951707 /nfs/dbraw/zinc/95/17/07/1099951707.db2.gz FFEZDUMCWVRMQE-MAUKXSAKSA-N 2 2 338.455 2.468 10 0 EEAELP C[C@H](O)CCC[NH2+]C1CCC(NC(=O)c2cccc3[nH+]ccn32)CC1 ZINC001480404676 1100218120 /nfs/dbraw/zinc/21/81/20/1100218120.db2.gz LUQJDSMZAVDCTF-FHERZECASA-N 2 2 344.459 2.126 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]CC2CC(F)(F)C2)c[nH+]1 ZINC001480486897 1100298030 /nfs/dbraw/zinc/29/80/30/1100298030.db2.gz QAIOQDXIECSCBJ-NSHDSACASA-N 2 2 328.407 2.066 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2o1 ZINC001480503265 1100324865 /nfs/dbraw/zinc/32/48/65/1100324865.db2.gz RJUAQUWNBXSMRZ-OCCSQVGLSA-N 2 2 341.415 2.188 10 0 EEAELP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001480509252 1100334759 /nfs/dbraw/zinc/33/47/59/1100334759.db2.gz RJJRZMUCDWCLLE-HNNXBMFYSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001446489157 1100927048 /nfs/dbraw/zinc/92/70/48/1100927048.db2.gz KTRKDWZZMYABNT-ZWKOTPCHSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1conc1C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001446489157 1100927055 /nfs/dbraw/zinc/92/70/55/1100927055.db2.gz KTRKDWZZMYABNT-ZWKOTPCHSA-N 2 2 348.491 2.232 10 0 EEAELP CC(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001495255094 1100952996 /nfs/dbraw/zinc/95/29/96/1100952996.db2.gz OVBTXKNMQMHDKX-DNVCBOLYSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H]1CN(C(=O)CCCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001496375594 1100968685 /nfs/dbraw/zinc/96/86/85/1100968685.db2.gz NJYNBIYYPZQHPR-WMZOPIPTSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001496644501 1101248827 /nfs/dbraw/zinc/24/88/27/1101248827.db2.gz YWWNATCLCCCIND-HNNXBMFYSA-N 2 2 347.463 2.234 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH]c[nH+]2)cc1 ZINC001495560562 1101273066 /nfs/dbraw/zinc/27/30/66/1101273066.db2.gz LEJNZOMPDFVBDT-LJQANCHMSA-N 2 2 340.471 2.474 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H]2CCCN2C(=O)CCc2c[nH+]c[nH]2)cc1 ZINC001495560562 1101273070 /nfs/dbraw/zinc/27/30/70/1101273070.db2.gz LEJNZOMPDFVBDT-LJQANCHMSA-N 2 2 340.471 2.474 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]CCC2CCCCC2)CCOCC1 ZINC001446720207 1101288074 /nfs/dbraw/zinc/28/80/74/1101288074.db2.gz VZWHRNBLUWJZKK-UHFFFAOYSA-N 2 2 348.491 2.109 10 0 EEAELP Cc1ccccc1CCC[NH2+]C[C@H]1CCCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001495583408 1101288987 /nfs/dbraw/zinc/28/89/87/1101288987.db2.gz NOKGQCJBINGNFI-GOSISDBHSA-N 2 2 340.471 2.474 10 0 EEAELP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC001496898223 1101686488 /nfs/dbraw/zinc/68/64/88/1101686488.db2.gz IVZWEHJPNGTMSG-RDJZCZTQSA-N 2 2 330.407 2.330 10 0 EEAELP COC[C@H](C)[N@H+](C)Cc1ccccc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001447078848 1101942278 /nfs/dbraw/zinc/94/22/78/1101942278.db2.gz KNUAFWYICOOVPY-AWEZNQCLSA-N 2 2 344.459 2.044 10 0 EEAELP COC[C@H](C)[N@@H+](C)Cc1ccccc1CNC(=O)Cc1[nH]c[nH+]c1C ZINC001447078848 1101942286 /nfs/dbraw/zinc/94/22/86/1101942286.db2.gz KNUAFWYICOOVPY-AWEZNQCLSA-N 2 2 344.459 2.044 10 0 EEAELP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001497193892 1102105808 /nfs/dbraw/zinc/10/58/08/1102105808.db2.gz LEPYSIHLPJXOBF-GUYCJALGSA-N 2 2 333.480 2.075 10 0 EEAELP C[C@@H](CC[NH2+]CCC1CC1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001497193892 1102105814 /nfs/dbraw/zinc/10/58/14/1102105814.db2.gz LEPYSIHLPJXOBF-GUYCJALGSA-N 2 2 333.480 2.075 10 0 EEAELP CCc1noc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001496174179 1102171832 /nfs/dbraw/zinc/17/18/32/1102171832.db2.gz XJFVIKLUFMMESV-KBPBESRZSA-N 2 2 347.463 2.330 10 0 EEAELP CCN(CC[NH2+]C[C@H]1C[C@@]12CCOC2)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497408816 1102445185 /nfs/dbraw/zinc/44/51/85/1102445185.db2.gz YKLHTUBRNHRTFU-DNVCBOLYSA-N 2 2 342.443 2.041 10 0 EEAELP CCC1([NH2+]CC[C@H]2CCCO2)CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC001447409716 1102605780 /nfs/dbraw/zinc/60/57/80/1102605780.db2.gz RICXYPNWPJALQG-QGZVFWFLSA-N 2 2 348.491 2.272 10 0 EEAELP CCC1([NH2+]CC[C@H]2CCCO2)CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC001447409716 1102605789 /nfs/dbraw/zinc/60/57/89/1102605789.db2.gz RICXYPNWPJALQG-QGZVFWFLSA-N 2 2 348.491 2.272 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C/CNC(=O)CCn1cc[nH+]c1 ZINC001497643751 1102804080 /nfs/dbraw/zinc/80/40/80/1102804080.db2.gz CTZLOGDJFULTOP-NSCUHMNNSA-N 2 2 330.407 2.183 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001493968324 1103220945 /nfs/dbraw/zinc/22/09/45/1103220945.db2.gz PLTZCJWRNJVAFH-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001493968324 1103220951 /nfs/dbraw/zinc/22/09/51/1103220951.db2.gz PLTZCJWRNJVAFH-QZTJIDSGSA-N 2 2 348.491 2.224 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498386706 1107431656 /nfs/dbraw/zinc/43/16/56/1107431656.db2.gz RTYCADQVHDLZAO-NWANDNLSSA-N 2 2 332.473 2.222 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccsc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498386706 1107431658 /nfs/dbraw/zinc/43/16/58/1107431658.db2.gz RTYCADQVHDLZAO-NWANDNLSSA-N 2 2 332.473 2.222 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001498392927 1107443515 /nfs/dbraw/zinc/44/35/15/1107443515.db2.gz MOPGSEVDZFCWRW-UONOGXRCSA-N 2 2 333.411 2.005 10 0 EEAELP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)cn1)n1cc[nH+]c1 ZINC001498392927 1107443520 /nfs/dbraw/zinc/44/35/20/1107443520.db2.gz MOPGSEVDZFCWRW-UONOGXRCSA-N 2 2 333.411 2.005 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C[NH2+]Cc1cc(C)ccc1F)C1CC1 ZINC001498860174 1108235036 /nfs/dbraw/zinc/23/50/36/1108235036.db2.gz GRDMSDXGTHUWFK-GOSISDBHSA-N 2 2 344.434 2.393 10 0 EEAELP CN(CC[NH2+]Cc1nccs1)C(=O)c1sccc1C[NH+](C)C ZINC001493565951 1108324902 /nfs/dbraw/zinc/32/49/02/1108324902.db2.gz AYAFLAFLISFHIA-UHFFFAOYSA-N 2 2 338.502 2.128 10 0 EEAELP CCOCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001493830429 1108712524 /nfs/dbraw/zinc/71/25/24/1108712524.db2.gz OHTVXPCKEAYDAH-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP CCOCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001493830429 1108712533 /nfs/dbraw/zinc/71/25/33/1108712533.db2.gz OHTVXPCKEAYDAH-USXIJHARSA-N 2 2 348.491 2.157 10 0 EEAELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001465206286 1110412726 /nfs/dbraw/zinc/41/27/26/1110412726.db2.gz CYYTZAANUOWGQB-OAHLLOKOSA-N 2 2 347.378 2.041 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H]1CC[N@@H+]1CCc1cccs1 ZINC001479253192 1110669205 /nfs/dbraw/zinc/66/92/05/1110669205.db2.gz PWSQWOBPRDBSOE-GOEBONIOSA-N 2 2 346.500 2.425 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H]1CC[N@H+]1CCc1cccs1 ZINC001479253192 1110669207 /nfs/dbraw/zinc/66/92/07/1110669207.db2.gz PWSQWOBPRDBSOE-GOEBONIOSA-N 2 2 346.500 2.425 10 0 EEAELP CC[C@H]([NH2+]C1(CNC(=O)Cc2c[nH+]cn2C)CC1)c1ccc(F)cc1 ZINC001499420409 1112278085 /nfs/dbraw/zinc/27/80/85/1112278085.db2.gz DIXIJKVRQKGTOO-KRWDZBQOSA-N 2 2 344.434 2.491 10 0 EEAELP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001499905756 1112535742 /nfs/dbraw/zinc/53/57/42/1112535742.db2.gz XWTSYPWVIKBXLN-WTNGUMASSA-N 2 2 330.476 2.382 10 0 EEAELP COCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001499917881 1112539936 /nfs/dbraw/zinc/53/99/36/1112539936.db2.gz XHZXXQBZFGHJKE-SFHVURJKSA-N 2 2 342.443 2.103 10 0 EEAELP C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)[C@H](C)[NH2+]Cc1ccsc1 ZINC001505640423 1114102731 /nfs/dbraw/zinc/10/27/31/1114102731.db2.gz GIBUEIOBOJRFHW-RYUDHWBXSA-N 2 2 336.461 2.094 10 0 EEAELP C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001505743461 1114164302 /nfs/dbraw/zinc/16/43/02/1114164302.db2.gz XWFQFTDWGQRKAU-CABCVRRESA-N 2 2 332.492 2.416 10 0 EEAELP CC(C)c1ocnc1C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001505850196 1114232413 /nfs/dbraw/zinc/23/24/13/1114232413.db2.gz NVGWHPNPDDXPCR-UHFFFAOYSA-N 2 2 347.463 2.269 10 0 EEAELP C[C@H](CC(=O)NC[C@H](C)[N@H+](C)CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001506009734 1114341241 /nfs/dbraw/zinc/34/12/41/1114341241.db2.gz HQZQBJCXBYIXEA-OLZOCXBDSA-N 2 2 328.407 2.316 10 0 EEAELP C[C@H](CC(=O)NC[C@H](C)[N@@H+](C)CC1CC(F)(F)C1)n1cc[nH+]c1 ZINC001506009734 1114341245 /nfs/dbraw/zinc/34/12/45/1114341245.db2.gz HQZQBJCXBYIXEA-OLZOCXBDSA-N 2 2 328.407 2.316 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506748536 1114862034 /nfs/dbraw/zinc/86/20/34/1114862034.db2.gz LMMVVVRETDINSL-HNNXBMFYSA-N 2 2 336.480 2.076 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001506748536 1114862037 /nfs/dbraw/zinc/86/20/37/1114862037.db2.gz LMMVVVRETDINSL-HNNXBMFYSA-N 2 2 336.480 2.076 10 0 EEAELP CCc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001506899436 1114959216 /nfs/dbraw/zinc/95/92/16/1114959216.db2.gz VQNVHVBCZUYGAT-IIAWOOMASA-N 2 2 345.447 2.069 10 0 EEAELP Cc1cc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001507090819 1115102917 /nfs/dbraw/zinc/10/29/17/1115102917.db2.gz FYNIPGSEVSUNHL-BBRMVZONSA-N 2 2 346.500 2.452 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001507166619 1115143838 /nfs/dbraw/zinc/14/38/38/1115143838.db2.gz ZSMIVFGPXPNWDI-GFCCVEGCSA-N 2 2 338.814 2.312 10 0 EEAELP CC(C)N(CC[N@H+](C)Cc1ccnc(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001507862490 1115361466 /nfs/dbraw/zinc/36/14/66/1115361466.db2.gz UDBPBCCXYOHAMQ-UHFFFAOYSA-N 2 2 349.866 2.301 10 0 EEAELP CC(C)N(CC[N@@H+](C)Cc1ccnc(Cl)c1)C(=O)Cn1cc[nH+]c1 ZINC001507862490 1115361467 /nfs/dbraw/zinc/36/14/67/1115361467.db2.gz UDBPBCCXYOHAMQ-UHFFFAOYSA-N 2 2 349.866 2.301 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)Cn2cc[nH+]c2)cc1 ZINC001568322375 1124420149 /nfs/dbraw/zinc/42/01/49/1124420149.db2.gz MSPJIHKNPAOPOT-INIZCTEOSA-N 2 2 328.460 2.125 10 0 EEAELP C[C@H](CC[NH2+]CC[C@@H]1CCc2ccccc21)NC(=O)Cn1cc[nH+]c1 ZINC001568715886 1124733588 /nfs/dbraw/zinc/73/35/88/1124733588.db2.gz ZWNKAFJPQKYHAC-AEFFLSMTSA-N 2 2 340.471 2.488 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001568973965 1125014216 /nfs/dbraw/zinc/01/42/16/1125014216.db2.gz UHHRHSBPJYCYOR-UPHRSURJSA-N 2 2 336.798 2.138 10 0 EEAELP C[C@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)Cc1c[nH+]cn1C ZINC001569030345 1125052682 /nfs/dbraw/zinc/05/26/82/1125052682.db2.gz NPBXJMMBGXCRCD-CQSZACIVSA-N 2 2 348.878 2.343 10 0 EEAELP C[C@H](C[NH2+]CC/C=C\c1ccccc1)NC(=O)Cc1c[nH+]cn1C ZINC001569030371 1125053212 /nfs/dbraw/zinc/05/32/12/1125053212.db2.gz OLDSBTPXZNOEDG-CXSQMQJXSA-N 2 2 326.444 2.160 10 0 EEAELP Cc1nc(C[NH2+]CCCN(C)C(=O)CCc2[nH+]ccn2C)sc1C ZINC001569226814 1125179288 /nfs/dbraw/zinc/17/92/88/1125179288.db2.gz PSOZRDSKDYUISA-UHFFFAOYSA-N 2 2 349.504 2.064 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1ccc(Cl)nc1)C1CC1 ZINC001569312854 1125224273 /nfs/dbraw/zinc/22/42/73/1125224273.db2.gz KEPQMLVCVNQFDU-HNNXBMFYSA-N 2 2 347.850 2.006 10 0 EEAELP CCNC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090189102 539375173 /nfs/dbraw/zinc/37/51/73/539375173.db2.gz JDQNZBIOYIQPKM-QZTJIDSGSA-N 2 2 344.503 2.433 10 0 EEAELP CCNC(=O)N1CC[C@@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090189102 539375179 /nfs/dbraw/zinc/37/51/79/539375179.db2.gz JDQNZBIOYIQPKM-QZTJIDSGSA-N 2 2 344.503 2.433 10 0 EEAELP O=S(=O)(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047970603 213879391 /nfs/dbraw/zinc/87/93/91/213879391.db2.gz WXTWGNBXMCYLSA-UHFFFAOYSA-N 2 2 336.501 2.268 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000352840985 539889191 /nfs/dbraw/zinc/88/91/91/539889191.db2.gz FYNHMLDNOUMKDC-KBPBESRZSA-N 2 2 349.441 2.449 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC[C@H](C(F)(F)F)C1 ZINC000352840985 539889196 /nfs/dbraw/zinc/88/91/96/539889196.db2.gz FYNHMLDNOUMKDC-KBPBESRZSA-N 2 2 349.441 2.449 10 0 EEAELP C[C@H]1Cc2cccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2O1 ZINC000449884044 291163649 /nfs/dbraw/zinc/16/36/49/291163649.db2.gz AGORDLSCKCANND-HNNXBMFYSA-N 2 2 345.487 2.108 10 0 EEAELP C[C@H]1Cc2cccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2O1 ZINC000449884044 291163650 /nfs/dbraw/zinc/16/36/50/291163650.db2.gz AGORDLSCKCANND-HNNXBMFYSA-N 2 2 345.487 2.108 10 0 EEAELP C[C@H](Nc1nc(N)[nH+]c2c1CC[NH2+]CC2)c1cnn(-c2ccccc2)c1 ZINC000072431050 216223343 /nfs/dbraw/zinc/22/33/43/216223343.db2.gz IEGUXMTXGTZUCP-ZDUSSCGKSA-N 2 2 349.442 2.106 10 0 EEAELP COC[C@H](CCC[NH3+])[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000422701192 240184852 /nfs/dbraw/zinc/18/48/52/240184852.db2.gz BOGLGDYPDNASHD-INIZCTEOSA-N 3 2 329.554 2.082 10 0 EEAELP FC(F)COc1cccc(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422941029 240301638 /nfs/dbraw/zinc/30/16/38/240301638.db2.gz HMBMVDPAAKUKPJ-NVXWUHKLSA-N 2 2 326.387 2.187 10 0 EEAELP CCCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC ZINC000422832454 240251241 /nfs/dbraw/zinc/25/12/41/240251241.db2.gz VDGPXECMPGVEHM-RBUKOAKNSA-N 2 2 334.460 2.341 10 0 EEAELP Cc1ccc([C@H](CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000422884832 240273775 /nfs/dbraw/zinc/27/37/75/240273775.db2.gz XQXXMVYJWXOGPW-WDSOQIARSA-N 2 2 333.476 2.082 10 0 EEAELP Brc1cccc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000423170249 240390701 /nfs/dbraw/zinc/39/07/01/240390701.db2.gz XPPPTYNWXPLQEH-HZPDHXFCSA-N 2 2 339.277 2.348 10 0 EEAELP CCOC(=O)C1([C@H](C)Nc2ccc(N3CCCC3)[nH+]c2)CC[NH2+]CC1 ZINC000422981893 240317068 /nfs/dbraw/zinc/31/70/68/240317068.db2.gz PNPOWSTYVNKOGR-HNNXBMFYSA-N 2 2 346.475 2.415 10 0 EEAELP CCn1nncc1C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000459355506 245090689 /nfs/dbraw/zinc/09/06/89/245090689.db2.gz JVVICIFVMXMGNS-UHFFFAOYSA-N 2 2 328.464 2.432 10 0 EEAELP CCn1nncc1C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000459355506 245090694 /nfs/dbraw/zinc/09/06/94/245090694.db2.gz JVVICIFVMXMGNS-UHFFFAOYSA-N 2 2 328.464 2.432 10 0 EEAELP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000093597336 218235171 /nfs/dbraw/zinc/23/51/71/218235171.db2.gz UQJRNVYQGGJWQU-OAHLLOKOSA-N 2 2 332.444 2.384 10 0 EEAELP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2c1OCCO2 ZINC000093597336 218235173 /nfs/dbraw/zinc/23/51/73/218235173.db2.gz UQJRNVYQGGJWQU-OAHLLOKOSA-N 2 2 332.444 2.384 10 0 EEAELP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000095419098 218358229 /nfs/dbraw/zinc/35/82/29/218358229.db2.gz IGTIPLQXNHUHCN-HNNXBMFYSA-N 2 2 348.472 2.164 10 0 EEAELP Cc1cccc([C@@H](C)C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000095423089 218365100 /nfs/dbraw/zinc/36/51/00/218365100.db2.gz QAOGKWBEHNXACL-IBGZPJMESA-N 2 2 345.531 2.485 10 0 EEAELP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000095423089 218365102 /nfs/dbraw/zinc/36/51/02/218365102.db2.gz QAOGKWBEHNXACL-IBGZPJMESA-N 2 2 345.531 2.485 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000263058936 152365845 /nfs/dbraw/zinc/36/58/45/152365845.db2.gz VFENXBWNPVMBFJ-CABCVRRESA-N 2 2 325.403 2.183 10 0 EEAELP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359424653 153357187 /nfs/dbraw/zinc/35/71/87/153357187.db2.gz YBQODYPGKNJBCZ-HNNXBMFYSA-N 2 2 328.460 2.412 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000248717064 160358355 /nfs/dbraw/zinc/35/83/55/160358355.db2.gz KRLDKXCLJVVBOS-ZIAGYGMSSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000248717064 160358357 /nfs/dbraw/zinc/35/83/57/160358357.db2.gz KRLDKXCLJVVBOS-ZIAGYGMSSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+](CC)CC(=O)N1CC[NH+](C/C=C\c2ccccc2OC)CC1 ZINC000255270961 160397033 /nfs/dbraw/zinc/39/70/33/160397033.db2.gz RQKJJWFZKDHVTQ-NTMALXAHSA-N 2 2 345.487 2.194 10 0 EEAELP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186528280 160073344 /nfs/dbraw/zinc/07/33/44/160073344.db2.gz OQHVRWMXNRRKSB-KRWDZBQOSA-N 2 2 345.491 2.178 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000190187074 160156238 /nfs/dbraw/zinc/15/62/38/160156238.db2.gz KRLDKXCLJVVBOS-KBPBESRZSA-N 2 2 349.441 2.449 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000190187074 160156239 /nfs/dbraw/zinc/15/62/39/160156239.db2.gz KRLDKXCLJVVBOS-KBPBESRZSA-N 2 2 349.441 2.449 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429154 160235081 /nfs/dbraw/zinc/23/50/81/160235081.db2.gz MXNCCQLXVAHCKD-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429154 160235082 /nfs/dbraw/zinc/23/50/82/160235082.db2.gz MXNCCQLXVAHCKD-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429154 160235083 /nfs/dbraw/zinc/23/50/83/160235083.db2.gz MXNCCQLXVAHCKD-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245429154 160235084 /nfs/dbraw/zinc/23/50/84/160235084.db2.gz MXNCCQLXVAHCKD-WMLDXEAASA-N 2 2 347.459 2.074 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000245659363 160246831 /nfs/dbraw/zinc/24/68/31/160246831.db2.gz CXNREOWINBEJJH-HOTGVXAUSA-N 2 2 333.480 2.307 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1[nH+]ccn1CC(C)C ZINC000245659363 160246833 /nfs/dbraw/zinc/24/68/33/160246833.db2.gz CXNREOWINBEJJH-HOTGVXAUSA-N 2 2 333.480 2.307 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247086388 160309802 /nfs/dbraw/zinc/30/98/02/160309802.db2.gz XHBGQOPMWREOSN-GOEBONIOSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247086388 160309803 /nfs/dbraw/zinc/30/98/03/160309803.db2.gz XHBGQOPMWREOSN-GOEBONIOSA-N 2 2 347.459 2.135 10 0 EEAELP COC(=O)c1ccc(C)c(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247086388 160309804 /nfs/dbraw/zinc/30/98/04/160309804.db2.gz XHBGQOPMWREOSN-GOEBONIOSA-N 2 2 347.459 2.135 10 0 EEAELP 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CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000417063110 313410661 /nfs/dbraw/zinc/41/06/61/313410661.db2.gz DPASSHKWYHQOCB-SFHVURJKSA-N 2 2 341.459 2.215 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418727192 313890267 /nfs/dbraw/zinc/89/02/67/313890267.db2.gz PATFPIPUDOFTPJ-NFAWXSAZSA-N 2 2 329.448 2.254 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)([NH+]2CCCCC2)CC1 ZINC000421487391 314108881 /nfs/dbraw/zinc/10/88/81/314108881.db2.gz YQLPBUZSHVEAGW-KZNAEPCWSA-N 2 2 333.520 2.489 10 0 EEAELP Cc1cccn2cc(CC(=O)NC3CC([NH+]4CCCCC4)C3)[nH+]c12 ZINC000530307579 317710823 /nfs/dbraw/zinc/71/08/23/317710823.db2.gz UPMGKNXHKWALIF-UHFFFAOYSA-N 2 2 326.444 2.318 10 0 EEAELP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@@H+]1CCCC[C@H]1C ZINC000538706834 318042327 /nfs/dbraw/zinc/04/23/27/318042327.db2.gz GSEZPHMDOFZSGX-HUUCEWRRSA-N 2 2 327.432 2.260 10 0 EEAELP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@H+]1CCCC[C@H]1C ZINC000538706834 318042330 /nfs/dbraw/zinc/04/23/30/318042330.db2.gz GSEZPHMDOFZSGX-HUUCEWRRSA-N 2 2 327.432 2.260 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCN(C)C2=O)c(C)c1 ZINC000538705523 318042437 /nfs/dbraw/zinc/04/24/37/318042437.db2.gz QWKPWICYKUFUDH-QZTJIDSGSA-N 2 2 326.444 2.452 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000568771778 319518096 /nfs/dbraw/zinc/51/80/96/319518096.db2.gz DZOJMDJKJSTJCY-UHFFFAOYSA-N 3 2 338.455 2.058 10 0 EEAELP CC[NH+]1CCC([N@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000574370485 320018371 /nfs/dbraw/zinc/01/83/71/320018371.db2.gz TTZVZMDBSJRZHW-UHFFFAOYSA-N 2 2 333.520 2.488 10 0 EEAELP CC[NH+]1CCC([N@@H+](C)CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000574370485 320018372 /nfs/dbraw/zinc/01/83/72/320018372.db2.gz TTZVZMDBSJRZHW-UHFFFAOYSA-N 2 2 333.520 2.488 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000575845121 320118749 /nfs/dbraw/zinc/11/87/49/320118749.db2.gz KAGCBOMGAHBKNT-UHFFFAOYSA-N 2 2 340.471 2.381 10 0 EEAELP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CC(F)(F)C[NH3+] ZINC000580780988 324128421 /nfs/dbraw/zinc/12/84/21/324128421.db2.gz NNFFXFCIMUCONK-UHFFFAOYSA-N 2 2 343.443 2.466 10 0 EEAELP Cc1nc(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107099 447888468 /nfs/dbraw/zinc/88/84/68/447888468.db2.gz LFJJVNHJSVEKMU-CZUORRHYSA-N 2 2 326.448 2.321 10 0 EEAELP Cc1nc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490107099 447888471 /nfs/dbraw/zinc/88/84/71/447888471.db2.gz LFJJVNHJSVEKMU-CZUORRHYSA-N 2 2 326.448 2.321 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000358320459 465056659 /nfs/dbraw/zinc/05/66/59/465056659.db2.gz POVLLCKAFAOMTB-XPKDYRNWSA-N 2 2 330.394 2.396 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000358320459 465056662 /nfs/dbraw/zinc/05/66/62/465056662.db2.gz POVLLCKAFAOMTB-XPKDYRNWSA-N 2 2 330.394 2.396 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000045033886 462553278 /nfs/dbraw/zinc/55/32/78/462553278.db2.gz DBBQMKLTQKUUIL-MRXNPFEDSA-N 2 2 342.443 2.187 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](C)n3cc[nH+]c3)CC2)cc1 ZINC000045033886 462553281 /nfs/dbraw/zinc/55/32/81/462553281.db2.gz DBBQMKLTQKUUIL-MRXNPFEDSA-N 2 2 342.443 2.187 10 0 EEAELP COc1cccc2c(N3CC[C@H]([NH+]4CCOCC4)C3)cc(C)[nH+]c12 ZINC000127727583 462578386 /nfs/dbraw/zinc/57/83/86/462578386.db2.gz ZREYOQQAMLAZGK-HNNXBMFYSA-N 2 2 327.428 2.463 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113583293 462604305 /nfs/dbraw/zinc/60/43/05/462604305.db2.gz GMIBQVHQHOGXBI-GOEBONIOSA-N 2 2 341.459 2.223 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000113583293 462604310 /nfs/dbraw/zinc/60/43/10/462604310.db2.gz GMIBQVHQHOGXBI-GOEBONIOSA-N 2 2 341.459 2.223 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCC2CCCCC2)C1 ZINC000123784058 463368894 /nfs/dbraw/zinc/36/88/94/463368894.db2.gz FLABFJBFURBTKC-QGZVFWFLSA-N 2 2 332.492 2.371 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)C1 ZINC000123784058 463368897 /nfs/dbraw/zinc/36/88/97/463368897.db2.gz FLABFJBFURBTKC-QGZVFWFLSA-N 2 2 332.492 2.371 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000124210431 463399316 /nfs/dbraw/zinc/39/93/16/463399316.db2.gz LRNJAIHBTDJENA-KRWDZBQOSA-N 2 2 330.476 2.349 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)CSC(C)(C)C)CC2)CC1 ZINC000124425883 463420745 /nfs/dbraw/zinc/42/07/45/463420745.db2.gz XFYWXFLUIGWOKF-UHFFFAOYSA-N 2 2 327.538 2.193 10 0 EEAELP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897299 463492578 /nfs/dbraw/zinc/49/25/78/463492578.db2.gz AXRKHMDSALCAHT-JKSUJKDBSA-N 2 2 336.480 2.014 10 0 EEAELP CCOCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000105897299 463492582 /nfs/dbraw/zinc/49/25/82/463492582.db2.gz AXRKHMDSALCAHT-JKSUJKDBSA-N 2 2 336.480 2.014 10 0 EEAELP CC[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[N@@H+]1CCc2ccccc2C1 ZINC000058296351 463572956 /nfs/dbraw/zinc/57/29/56/463572956.db2.gz KQQQKHCHURKLRD-VQIMIIECSA-N 2 2 339.487 2.351 10 0 EEAELP CC[C@H](C[NH2+]C[C@@H]1CNc2ccnn2C1)[N@H+]1CCc2ccccc2C1 ZINC000058296351 463572962 /nfs/dbraw/zinc/57/29/62/463572962.db2.gz KQQQKHCHURKLRD-VQIMIIECSA-N 2 2 339.487 2.351 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000163331155 463580682 /nfs/dbraw/zinc/58/06/82/463580682.db2.gz UWRPHWGXOWJTNR-AWEZNQCLSA-N 2 2 345.447 2.152 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2noc(C3CCOCC3)n2)C1 ZINC000163331155 463580686 /nfs/dbraw/zinc/58/06/86/463580686.db2.gz UWRPHWGXOWJTNR-AWEZNQCLSA-N 2 2 345.447 2.152 10 0 EEAELP Cc1[nH+]c2cc3c(cc2n1C[C@@H](O)C[NH+]1CCC(C)CC1)OCCO3 ZINC000058438948 463600012 /nfs/dbraw/zinc/60/00/12/463600012.db2.gz PQZYPZMRNVWHRE-HNNXBMFYSA-N 2 2 345.443 2.209 10 0 EEAELP CCc1cc(NC[C@H](O)C[NH+]2CCCCC2)nc(-c2ccncc2)[nH+]1 ZINC000109317848 463637933 /nfs/dbraw/zinc/63/79/33/463637933.db2.gz GQUNFWXPRNSVIP-KRWDZBQOSA-N 2 2 341.459 2.360 10 0 EEAELP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc(Br)c1O ZINC000044683878 463688752 /nfs/dbraw/zinc/68/87/52/463688752.db2.gz RORCEBHVIQPNMN-LLVKDONJSA-N 2 2 341.249 2.490 10 0 EEAELP COc1cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc(Br)c1O ZINC000044683878 463688755 /nfs/dbraw/zinc/68/87/55/463688755.db2.gz RORCEBHVIQPNMN-LLVKDONJSA-N 2 2 341.249 2.490 10 0 EEAELP CC[NH+]1CCN([C@H](C)CNc2cc(C)[nH+]c(-c3ccncc3)n2)CC1 ZINC000112074323 463689821 /nfs/dbraw/zinc/68/98/21/463689821.db2.gz HQKFFKVWAMPVOA-MRXNPFEDSA-N 2 2 340.475 2.285 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000268920349 463808610 /nfs/dbraw/zinc/80/86/10/463808610.db2.gz OZCLFYCIUWSESV-MRXNPFEDSA-N 2 2 345.516 2.293 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000268920349 463808615 /nfs/dbraw/zinc/80/86/15/463808615.db2.gz OZCLFYCIUWSESV-MRXNPFEDSA-N 2 2 345.516 2.293 10 0 EEAELP CC[N@H+](CCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171899159 463944779 /nfs/dbraw/zinc/94/47/79/463944779.db2.gz LHKCWLHRLUUDOO-GOSISDBHSA-N 2 2 330.476 2.393 10 0 EEAELP CC[N@@H+](CCCNC(=O)N1CC[NH+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171899159 463944788 /nfs/dbraw/zinc/94/47/88/463944788.db2.gz LHKCWLHRLUUDOO-GOSISDBHSA-N 2 2 330.476 2.393 10 0 EEAELP CC[NH+](CCCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171899159 463944791 /nfs/dbraw/zinc/94/47/91/463944791.db2.gz LHKCWLHRLUUDOO-GOSISDBHSA-N 2 2 330.476 2.393 10 0 EEAELP CC[NH+](CCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000171899159 463944798 /nfs/dbraw/zinc/94/47/98/463944798.db2.gz LHKCWLHRLUUDOO-GOSISDBHSA-N 2 2 330.476 2.393 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000186618653 464033236 /nfs/dbraw/zinc/03/32/36/464033236.db2.gz LCOHIYHARVTJOC-AWEZNQCLSA-N 2 2 328.254 2.045 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000186618653 464033241 /nfs/dbraw/zinc/03/32/41/464033241.db2.gz LCOHIYHARVTJOC-AWEZNQCLSA-N 2 2 328.254 2.045 10 0 EEAELP Cc1nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000179283238 464097796 /nfs/dbraw/zinc/09/77/96/464097796.db2.gz DNCPRHAXWMRBDL-UHFFFAOYSA-N 2 2 336.505 2.048 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292256997 464175121 /nfs/dbraw/zinc/17/51/21/464175121.db2.gz YELFHTWEUDZAHX-RDTXWAMCSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292256997 464175126 /nfs/dbraw/zinc/17/51/26/464175126.db2.gz YELFHTWEUDZAHX-RDTXWAMCSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292256997 464175128 /nfs/dbraw/zinc/17/51/28/464175128.db2.gz YELFHTWEUDZAHX-RDTXWAMCSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292256997 464175132 /nfs/dbraw/zinc/17/51/32/464175132.db2.gz YELFHTWEUDZAHX-RDTXWAMCSA-N 2 2 335.879 2.372 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000579714977 468400914 /nfs/dbraw/zinc/40/09/14/468400914.db2.gz JLBCRMRBKADRLH-QGTPRVQTSA-N 2 2 332.492 2.186 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000579714977 468400916 /nfs/dbraw/zinc/40/09/16/468400916.db2.gz JLBCRMRBKADRLH-QGTPRVQTSA-N 2 2 332.492 2.186 10 0 EEAELP CO[C@@H]1C[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC[C@@H]1C ZINC000189351257 464482741 /nfs/dbraw/zinc/48/27/41/464482741.db2.gz PBTHRLUMVMXCIL-URKNILKWSA-N 2 2 331.460 2.371 10 0 EEAELP CO[C@@H]1C[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)CC[C@@H]1C ZINC000189351257 464482746 /nfs/dbraw/zinc/48/27/46/464482746.db2.gz PBTHRLUMVMXCIL-URKNILKWSA-N 2 2 331.460 2.371 10 0 EEAELP C[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[NH+]1CCCCCC1 ZINC000175250894 464512575 /nfs/dbraw/zinc/51/25/75/464512575.db2.gz UBICTJSCBMWAIQ-HNNXBMFYSA-N 2 2 327.432 2.148 10 0 EEAELP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000285446425 464567514 /nfs/dbraw/zinc/56/75/14/464567514.db2.gz XSJADDLJTMNYFB-QZTJIDSGSA-N 2 2 331.504 2.432 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc3c(c2O)CCCC3)CC1 ZINC000183038936 464781670 /nfs/dbraw/zinc/78/16/70/464781670.db2.gz XUMNAABRCRPWCG-UHFFFAOYSA-N 2 2 345.487 2.027 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000249700867 464904725 /nfs/dbraw/zinc/90/47/25/464904725.db2.gz YCSDEICKZUWVOV-IAGOWNOFSA-N 2 2 339.443 2.356 10 0 EEAELP CC[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000249700867 464904730 /nfs/dbraw/zinc/90/47/30/464904730.db2.gz YCSDEICKZUWVOV-IAGOWNOFSA-N 2 2 339.443 2.356 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000177347203 464991645 /nfs/dbraw/zinc/99/16/45/464991645.db2.gz IHBNHLHTORMRED-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000177347203 464991649 /nfs/dbraw/zinc/99/16/49/464991649.db2.gz IHBNHLHTORMRED-QGZVFWFLSA-N 2 2 345.491 2.308 10 0 EEAELP Cc1noc(C)c1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000339626410 465399608 /nfs/dbraw/zinc/39/96/08/465399608.db2.gz HNXVNOZBOYUVMS-XYPWUTKMSA-N 2 2 347.463 2.066 10 0 EEAELP Cc1noc(C)c1NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339626410 465399612 /nfs/dbraw/zinc/39/96/12/465399612.db2.gz HNXVNOZBOYUVMS-XYPWUTKMSA-N 2 2 347.463 2.066 10 0 EEAELP C[C@H](Cn1cccn1)[NH2+][C@@H](C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000344661510 465759448 /nfs/dbraw/zinc/75/94/48/465759448.db2.gz JNXSRYFVGBFOQA-KGLIPLIRSA-N 2 2 338.415 2.279 10 0 EEAELP CCc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)oc1CC ZINC000372051257 466137574 /nfs/dbraw/zinc/13/75/74/466137574.db2.gz FNPLAHQCMKOJOM-HNNXBMFYSA-N 2 2 333.476 2.303 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H]2C)CC1 ZINC000349873466 466286870 /nfs/dbraw/zinc/28/68/70/466286870.db2.gz CMRCVGUQAKJMDN-SJORKVTESA-N 2 2 347.528 2.329 10 0 EEAELP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H]2C)CC1 ZINC000349873466 466286873 /nfs/dbraw/zinc/28/68/73/466286873.db2.gz CMRCVGUQAKJMDN-SJORKVTESA-N 2 2 347.528 2.329 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000358220497 466551289 /nfs/dbraw/zinc/55/12/89/466551289.db2.gz JWLAXBIDLWECFK-QXCFHYIPSA-N 2 2 327.476 2.494 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000358220497 466551296 /nfs/dbraw/zinc/55/12/96/466551296.db2.gz JWLAXBIDLWECFK-QXCFHYIPSA-N 2 2 327.476 2.494 10 0 EEAELP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000320466050 466609961 /nfs/dbraw/zinc/60/99/61/466609961.db2.gz LAFCCENSJHCPEN-BBWFWOEESA-N 2 2 333.501 2.313 10 0 EEAELP CC[N@H+](CC(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365571554 466866923 /nfs/dbraw/zinc/86/69/23/466866923.db2.gz VHNAEBQDSTVUTI-UHFFFAOYSA-N 2 2 334.464 2.372 10 0 EEAELP CC[N@@H+](CC(=O)OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000365571554 466866928 /nfs/dbraw/zinc/86/69/28/466866928.db2.gz VHNAEBQDSTVUTI-UHFFFAOYSA-N 2 2 334.464 2.372 10 0 EEAELP CC(C)[C@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[NH+]1CCC(C)CC1 ZINC000370680356 466963318 /nfs/dbraw/zinc/96/33/18/466963318.db2.gz GJXPJEJDTHKKQL-YJBOKZPZSA-N 2 2 347.507 2.323 10 0 EEAELP CC(C)[C@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[NH+]1CCC(C)CC1 ZINC000370680356 466963325 /nfs/dbraw/zinc/96/33/25/466963325.db2.gz GJXPJEJDTHKKQL-YJBOKZPZSA-N 2 2 347.507 2.323 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@H](F)C3)CC2)CC1 ZINC000424620928 467077422 /nfs/dbraw/zinc/07/74/22/467077422.db2.gz ADETVCMYIMHFLU-CABCVRRESA-N 2 2 325.472 2.190 10 0 EEAELP COc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1O ZINC000377692007 467117979 /nfs/dbraw/zinc/11/79/79/467117979.db2.gz GEQNWKYUUKZCOD-JWTNVVGKSA-N 2 2 345.487 2.144 10 0 EEAELP COc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1O ZINC000377692007 467117981 /nfs/dbraw/zinc/11/79/81/467117981.db2.gz GEQNWKYUUKZCOD-JWTNVVGKSA-N 2 2 345.487 2.144 10 0 EEAELP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1O ZINC000377692007 467117982 /nfs/dbraw/zinc/11/79/82/467117982.db2.gz GEQNWKYUUKZCOD-JWTNVVGKSA-N 2 2 345.487 2.144 10 0 EEAELP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1O ZINC000377692007 467117984 /nfs/dbraw/zinc/11/79/84/467117984.db2.gz GEQNWKYUUKZCOD-JWTNVVGKSA-N 2 2 345.487 2.144 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000418559560 467128350 /nfs/dbraw/zinc/12/83/50/467128350.db2.gz QXQCFAMSFILAQC-WBVHZDCISA-N 2 2 333.480 2.083 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000378165860 467217286 /nfs/dbraw/zinc/21/72/86/467217286.db2.gz KVNDBJLPPMXMIV-HZEGPAAWSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000378165860 467217290 /nfs/dbraw/zinc/21/72/90/467217290.db2.gz KVNDBJLPPMXMIV-HZEGPAAWSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000378165860 467217295 /nfs/dbraw/zinc/21/72/95/467217295.db2.gz KVNDBJLPPMXMIV-HZEGPAAWSA-N 3 2 343.515 2.350 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000378165860 467217299 /nfs/dbraw/zinc/21/72/99/467217299.db2.gz KVNDBJLPPMXMIV-HZEGPAAWSA-N 3 2 343.515 2.350 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420374885 467383463 /nfs/dbraw/zinc/38/34/63/467383463.db2.gz OCHXYAPJWOZAGP-FQEVSTJZSA-N 2 2 329.488 2.283 10 0 EEAELP CCc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420374885 467383466 /nfs/dbraw/zinc/38/34/66/467383466.db2.gz OCHXYAPJWOZAGP-FQEVSTJZSA-N 2 2 329.488 2.283 10 0 EEAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@H]1CCCc2ccccc21 ZINC000420378947 467385732 /nfs/dbraw/zinc/38/57/32/467385732.db2.gz QVIMUPPBEFGQAB-AZUAARDMSA-N 2 2 327.472 2.256 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)N[C@H]1CCCc2ccccc21 ZINC000420378947 467385734 /nfs/dbraw/zinc/38/57/34/467385734.db2.gz QVIMUPPBEFGQAB-AZUAARDMSA-N 2 2 327.472 2.256 10 0 EEAELP Cc1cc(Br)cn2c(CN[C@H]3C[NH2+]CC[C@@H]3C)c[nH+]c12 ZINC000414933530 467454095 /nfs/dbraw/zinc/45/40/95/467454095.db2.gz RZOWQHWJHPWGCT-HZMBPMFUSA-N 2 2 337.265 2.493 10 0 EEAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc(C(=O)OC)cc1 ZINC000453252115 467470823 /nfs/dbraw/zinc/47/08/23/467470823.db2.gz BRAVCBVSNMSLHI-QZTJIDSGSA-N 2 2 334.460 2.361 10 0 EEAELP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc(C(=O)OC)cc1 ZINC000453252115 467470826 /nfs/dbraw/zinc/47/08/26/467470826.db2.gz BRAVCBVSNMSLHI-QZTJIDSGSA-N 2 2 334.460 2.361 10 0 EEAELP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000453254846 467470988 /nfs/dbraw/zinc/47/09/88/467470988.db2.gz FEZCYRJSWQFNBQ-WMZOPIPTSA-N 2 2 336.476 2.209 10 0 EEAELP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1 ZINC000453254846 467470993 /nfs/dbraw/zinc/47/09/93/467470993.db2.gz FEZCYRJSWQFNBQ-WMZOPIPTSA-N 2 2 336.476 2.209 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[NH+]1CCO ZINC000453261029 467472033 /nfs/dbraw/zinc/47/20/33/467472033.db2.gz JSSBSXKEOSFIDV-HMXCVIKNSA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[NH+]1CCO ZINC000453261029 467472038 /nfs/dbraw/zinc/47/20/38/467472038.db2.gz JSSBSXKEOSFIDV-HMXCVIKNSA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[N@@H+]1CCO ZINC000453261029 467472039 /nfs/dbraw/zinc/47/20/39/467472039.db2.gz JSSBSXKEOSFIDV-HMXCVIKNSA-N 2 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[N@H+]1CCO ZINC000453261029 467472043 /nfs/dbraw/zinc/47/20/43/467472043.db2.gz JSSBSXKEOSFIDV-HMXCVIKNSA-N 2 2 345.531 2.333 10 0 EEAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(C)c1 ZINC000449391045 467636586 /nfs/dbraw/zinc/63/65/86/467636586.db2.gz HMJKXNBIBIOKNG-QZTJIDSGSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(C)c1 ZINC000449391045 467636588 /nfs/dbraw/zinc/63/65/88/467636588.db2.gz HMJKXNBIBIOKNG-QZTJIDSGSA-N 2 2 347.503 2.457 10 0 EEAELP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449392514 467636993 /nfs/dbraw/zinc/63/69/93/467636993.db2.gz KFMISFAGKWSJQN-HZPDHXFCSA-N 2 2 330.476 2.320 10 0 EEAELP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449392514 467636996 /nfs/dbraw/zinc/63/69/96/467636996.db2.gz KFMISFAGKWSJQN-HZPDHXFCSA-N 2 2 330.476 2.320 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(-c2ccc(F)cc2)n1 ZINC000449399328 467639828 /nfs/dbraw/zinc/63/98/28/467639828.db2.gz ZWJATHLVUVLXHO-SFHVURJKSA-N 2 2 346.450 2.163 10 0 EEAELP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(-c2ccc(F)cc2)n1 ZINC000449399328 467639832 /nfs/dbraw/zinc/63/98/32/467639832.db2.gz ZWJATHLVUVLXHO-SFHVURJKSA-N 2 2 346.450 2.163 10 0 EEAELP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)[NH2+]C[C@@H]1COCCO1 ZINC000450768757 467904827 /nfs/dbraw/zinc/90/48/27/467904827.db2.gz WXATXQAXUXLSOO-MOPGFXCFSA-N 2 2 332.488 2.464 10 0 EEAELP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)[NH2+]C[C@@H]1COCCO1 ZINC000450768757 467904830 /nfs/dbraw/zinc/90/48/30/467904830.db2.gz WXATXQAXUXLSOO-MOPGFXCFSA-N 2 2 332.488 2.464 10 0 EEAELP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179753 467959069 /nfs/dbraw/zinc/95/90/69/467959069.db2.gz WSTDFCZOLILQNH-MRXNPFEDSA-N 2 2 326.400 2.180 10 0 EEAELP C[C@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530222306 467964869 /nfs/dbraw/zinc/96/48/69/467964869.db2.gz IMJSQKBPLQOBCJ-CQSZACIVSA-N 2 2 336.867 2.044 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000520249148 468238618 /nfs/dbraw/zinc/23/86/18/468238618.db2.gz PYDLMYPNADWCBX-SFHVURJKSA-N 2 2 338.455 2.286 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000520249148 468238623 /nfs/dbraw/zinc/23/86/23/468238623.db2.gz PYDLMYPNADWCBX-SFHVURJKSA-N 2 2 338.455 2.286 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000594506710 468611764 /nfs/dbraw/zinc/61/17/64/468611764.db2.gz XADXULGSIZGFCD-MJGOQNOKSA-N 2 2 346.471 2.287 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000594506710 468611766 /nfs/dbraw/zinc/61/17/66/468611766.db2.gz XADXULGSIZGFCD-MJGOQNOKSA-N 2 2 346.471 2.287 10 0 EEAELP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000594506889 468611963 /nfs/dbraw/zinc/61/19/63/468611963.db2.gz GZDNYKYIBNATLU-PVAVHDDUSA-N 2 2 338.492 2.340 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1(C[NH+]2CCOCC2)CCCCC1 ZINC000594942695 468728001 /nfs/dbraw/zinc/72/80/01/468728001.db2.gz ZGLBVQUBSLPRKS-BRWVUGGUSA-N 2 2 338.492 2.056 10 0 EEAELP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000573091733 469060038 /nfs/dbraw/zinc/06/00/38/469060038.db2.gz SOEFKOSBFPARDN-AUUYWEPGSA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000573091733 469060045 /nfs/dbraw/zinc/06/00/45/469060045.db2.gz SOEFKOSBFPARDN-AUUYWEPGSA-N 2 2 347.459 2.106 10 0 EEAELP Cc1cccn2cc(CC(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[nH+]c12 ZINC000589078803 469191682 /nfs/dbraw/zinc/19/16/82/469191682.db2.gz XKXCAYLDDPPWIL-UHFFFAOYSA-N 2 2 332.367 2.405 10 0 EEAELP C[C@@H](c1nccc(N)n1)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574463398 469274378 /nfs/dbraw/zinc/27/43/78/469274378.db2.gz UTTJHUYCLHTYPS-KBPBESRZSA-N 2 2 326.448 2.532 10 0 EEAELP C[C@@H](c1nccc(N)n1)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000574463398 469274380 /nfs/dbraw/zinc/27/43/80/469274380.db2.gz UTTJHUYCLHTYPS-KBPBESRZSA-N 2 2 326.448 2.532 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@@H+](C3CCCC3)CC1)CC2 ZINC000625744097 469371062 /nfs/dbraw/zinc/37/10/62/469371062.db2.gz IUFUEWNAYSIEOL-MRXNPFEDSA-N 2 2 330.476 2.231 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CCC[N@H+](C3CCCC3)CC1)CC2 ZINC000625744097 469371064 /nfs/dbraw/zinc/37/10/64/469371064.db2.gz IUFUEWNAYSIEOL-MRXNPFEDSA-N 2 2 330.476 2.231 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000625858975 469413764 /nfs/dbraw/zinc/41/37/64/469413764.db2.gz YHMJNRVLJRKSAH-JCGIZDLHSA-N 2 2 346.475 2.342 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584407 469585379 /nfs/dbraw/zinc/58/53/79/469585379.db2.gz QJBXYKNAAFRTBT-SMOSDQRPSA-N 2 2 329.488 2.226 10 0 EEAELP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584407 469585383 /nfs/dbraw/zinc/58/53/83/469585383.db2.gz QJBXYKNAAFRTBT-SMOSDQRPSA-N 2 2 329.488 2.226 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629660371 469601387 /nfs/dbraw/zinc/60/13/87/469601387.db2.gz SLAONZNEPFEBHV-IEBWSBKVSA-N 3 2 330.520 2.449 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613272046 469675129 /nfs/dbraw/zinc/67/51/29/469675129.db2.gz KGYOUJDONNJZCO-USXIJHARSA-N 2 2 326.444 2.160 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC000613272046 469675132 /nfs/dbraw/zinc/67/51/32/469675132.db2.gz KGYOUJDONNJZCO-USXIJHARSA-N 2 2 326.444 2.160 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000617763273 469796178 /nfs/dbraw/zinc/79/61/78/469796178.db2.gz LFWQYAHVZBAFRP-UHFFFAOYSA-N 2 2 348.422 2.094 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(-c2ccc(F)cc2)no1 ZINC000617763273 469796181 /nfs/dbraw/zinc/79/61/81/469796181.db2.gz LFWQYAHVZBAFRP-UHFFFAOYSA-N 2 2 348.422 2.094 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccn(C2CCCCC2)n1 ZINC000617763953 469796511 /nfs/dbraw/zinc/79/65/11/469796511.db2.gz CQPWPZWVNBKLNE-UHFFFAOYSA-N 2 2 335.496 2.002 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccn(C2CCCCC2)n1 ZINC000617763953 469796516 /nfs/dbraw/zinc/79/65/16/469796516.db2.gz CQPWPZWVNBKLNE-UHFFFAOYSA-N 2 2 335.496 2.002 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000617766418 469797581 /nfs/dbraw/zinc/79/75/81/469797581.db2.gz JNSMHJBEMLWFIO-HUUCEWRRSA-N 2 2 339.430 2.068 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000617766418 469797584 /nfs/dbraw/zinc/79/75/84/469797584.db2.gz JNSMHJBEMLWFIO-HUUCEWRRSA-N 2 2 339.430 2.068 10 0 EEAELP C[C@H](Oc1cccc(Cl)c1)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768525 469798507 /nfs/dbraw/zinc/79/85/07/469798507.db2.gz HSXZVAVDHFUXRE-AWEZNQCLSA-N 2 2 341.883 2.107 10 0 EEAELP C[C@H](Oc1cccc(Cl)c1)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768525 469798510 /nfs/dbraw/zinc/79/85/10/469798510.db2.gz HSXZVAVDHFUXRE-AWEZNQCLSA-N 2 2 341.883 2.107 10 0 EEAELP Cc1cccc(C)c1NCc1cn(CC[N@@H+](C)CCC[NH+](C)C)nn1 ZINC000630610661 469918868 /nfs/dbraw/zinc/91/88/68/469918868.db2.gz OVNNOVWTOFJZPR-UHFFFAOYSA-N 2 2 344.507 2.391 10 0 EEAELP Cc1cccc(C)c1NCc1cn(CC[N@H+](C)CCC[NH+](C)C)nn1 ZINC000630610661 469918873 /nfs/dbraw/zinc/91/88/73/469918873.db2.gz OVNNOVWTOFJZPR-UHFFFAOYSA-N 2 2 344.507 2.391 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625240059 470102744 /nfs/dbraw/zinc/10/27/44/470102744.db2.gz URMDBAVRZJNCAH-ZWKOTPCHSA-N 2 2 338.455 2.195 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000625240059 470102746 /nfs/dbraw/zinc/10/27/46/470102746.db2.gz URMDBAVRZJNCAH-ZWKOTPCHSA-N 2 2 338.455 2.195 10 0 EEAELP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842081 470187118 /nfs/dbraw/zinc/18/71/18/470187118.db2.gz UZRFGNROVFIXKJ-GRYCIOLGSA-N 2 2 327.375 2.142 10 0 EEAELP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842081 470187119 /nfs/dbraw/zinc/18/71/19/470187119.db2.gz UZRFGNROVFIXKJ-GRYCIOLGSA-N 2 2 327.375 2.142 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887999 470189603 /nfs/dbraw/zinc/18/96/03/470189603.db2.gz VRKXXFDTOKTSNJ-IEBWSBKVSA-N 2 2 345.487 2.118 10 0 EEAELP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887999 470189604 /nfs/dbraw/zinc/18/96/04/470189604.db2.gz VRKXXFDTOKTSNJ-IEBWSBKVSA-N 2 2 345.487 2.118 10 0 EEAELP [NH3+]C1(Cc2nc([C@H]3CCC[NH2+]3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634557552 470266331 /nfs/dbraw/zinc/26/63/31/470266331.db2.gz ZUARWKCQHPTSRA-MRXNPFEDSA-N 3 2 341.459 2.030 10 0 EEAELP Cc1cccn2cc(CCNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)[nH+]c12 ZINC000649335870 470549984 /nfs/dbraw/zinc/54/99/84/470549984.db2.gz HDVXRBALJOQULS-PVAVHDDUSA-N 2 2 326.444 2.222 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CCC(C4(O)CC4)CC3)c2cc1C ZINC000649674209 470662379 /nfs/dbraw/zinc/66/23/79/470662379.db2.gz LGDYNCJNYUBOJK-QGZVFWFLSA-N 2 2 343.471 2.251 10 0 EEAELP Cc1ccccc1-n1cc(C[NH2+]C[C@H](C)C[NH+]2CCOCC2)cn1 ZINC000647185016 470852277 /nfs/dbraw/zinc/85/22/77/470852277.db2.gz LTOHZBTUWYEAHQ-INIZCTEOSA-N 2 2 328.460 2.239 10 0 EEAELP Cn1cnc(CCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000647231276 470863877 /nfs/dbraw/zinc/86/38/77/470863877.db2.gz POOZTDSWBIQTEW-KRWDZBQOSA-N 2 2 327.476 2.390 10 0 EEAELP Cn1cnc(CCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)n1 ZINC000647231276 470863880 /nfs/dbraw/zinc/86/38/80/470863880.db2.gz POOZTDSWBIQTEW-KRWDZBQOSA-N 2 2 327.476 2.390 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000650610802 470922368 /nfs/dbraw/zinc/92/23/68/470922368.db2.gz IKYJKALNKUDVOX-UHFFFAOYSA-N 2 2 347.507 2.459 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000650610802 470922372 /nfs/dbraw/zinc/92/23/72/470922372.db2.gz IKYJKALNKUDVOX-UHFFFAOYSA-N 2 2 347.507 2.459 10 0 EEAELP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899148 471010821 /nfs/dbraw/zinc/01/08/21/471010821.db2.gz AVEYDSJYRDZYNR-KDOFPFPSSA-N 2 2 347.459 2.106 10 0 EEAELP COc1cc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899148 471010826 /nfs/dbraw/zinc/01/08/26/471010826.db2.gz AVEYDSJYRDZYNR-KDOFPFPSSA-N 2 2 347.459 2.106 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647899841 471011738 /nfs/dbraw/zinc/01/17/38/471011738.db2.gz ZYRMKOXGZMCHQU-YJBOKZPZSA-N 2 2 344.459 2.048 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647899841 471011740 /nfs/dbraw/zinc/01/17/40/471011740.db2.gz ZYRMKOXGZMCHQU-YJBOKZPZSA-N 2 2 344.459 2.048 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957099 471027410 /nfs/dbraw/zinc/02/74/10/471027410.db2.gz NXTMCIVPJHJIIZ-LJQANCHMSA-N 2 2 333.451 2.250 10 0 EEAELP CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000647957099 471027413 /nfs/dbraw/zinc/02/74/13/471027413.db2.gz NXTMCIVPJHJIIZ-LJQANCHMSA-N 2 2 333.451 2.250 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657345878 471106546 /nfs/dbraw/zinc/10/65/46/471106546.db2.gz SROGUJVIYPJAKS-MJGOQNOKSA-N 2 2 334.460 2.055 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657345878 471106552 /nfs/dbraw/zinc/10/65/52/471106552.db2.gz SROGUJVIYPJAKS-MJGOQNOKSA-N 2 2 334.460 2.055 10 0 EEAELP CC(=O)Nc1ccc(C[NH+]2CCC([NH2+]Cc3cn[nH]c3)CC2)cc1 ZINC000657482187 471150552 /nfs/dbraw/zinc/15/05/52/471150552.db2.gz SKYWJFDMIOKXFB-UHFFFAOYSA-N 2 2 327.432 2.122 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccccc1 ZINC000654845359 471200085 /nfs/dbraw/zinc/20/00/85/471200085.db2.gz JNJFVOUHMBBASQ-INIZCTEOSA-N 2 2 326.444 2.162 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648440117 471206645 /nfs/dbraw/zinc/20/66/45/471206645.db2.gz MPNKSAUEOXZNDC-PMACEKPBSA-N 2 2 343.515 2.466 10 0 EEAELP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648440117 471206651 /nfs/dbraw/zinc/20/66/51/471206651.db2.gz MPNKSAUEOXZNDC-PMACEKPBSA-N 2 2 343.515 2.466 10 0 EEAELP c1cn(-c2csc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)cn1 ZINC000657753225 471227439 /nfs/dbraw/zinc/22/74/39/471227439.db2.gz VNEBINXZVNMANW-HNNXBMFYSA-N 2 2 332.473 2.277 10 0 EEAELP c1cn(-c2csc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2)c[nH+]1 ZINC000657753225 471227444 /nfs/dbraw/zinc/22/74/44/471227444.db2.gz VNEBINXZVNMANW-HNNXBMFYSA-N 3 2 332.473 2.277 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652120075 471238942 /nfs/dbraw/zinc/23/89/42/471238942.db2.gz UDVCZVHQFQNDFC-UHFFFAOYSA-N 2 2 329.448 2.163 10 0 EEAELP CCO[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000652358146 471278817 /nfs/dbraw/zinc/27/88/17/471278817.db2.gz GMWJOCYYGQMAPV-RHSMWYFYSA-N 2 2 333.476 2.218 10 0 EEAELP CCO[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C[C@H]1C[NH3+] ZINC000652358146 471278820 /nfs/dbraw/zinc/27/88/20/471278820.db2.gz GMWJOCYYGQMAPV-RHSMWYFYSA-N 2 2 333.476 2.218 10 0 EEAELP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000666233708 471323427 /nfs/dbraw/zinc/32/34/27/471323427.db2.gz UMANHWVXFQQVDE-QGZVFWFLSA-N 2 2 338.455 2.427 10 0 EEAELP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000666233708 471323433 /nfs/dbraw/zinc/32/34/33/471323433.db2.gz UMANHWVXFQQVDE-QGZVFWFLSA-N 2 2 338.455 2.427 10 0 EEAELP CNC(=O)C[NH+]1CCC(Nc2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663385249 471350971 /nfs/dbraw/zinc/35/09/71/471350971.db2.gz WHISLGLWSROWGX-UHFFFAOYSA-N 2 2 330.354 2.031 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000666470203 471413760 /nfs/dbraw/zinc/41/37/60/471413760.db2.gz XRUBLEJWLVMELW-UHFFFAOYSA-N 2 2 347.385 2.105 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000666470203 471413763 /nfs/dbraw/zinc/41/37/63/471413763.db2.gz XRUBLEJWLVMELW-UHFFFAOYSA-N 2 2 347.385 2.105 10 0 EEAELP CCC[N@H+](C)CC(C)(C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000663549161 471421026 /nfs/dbraw/zinc/42/10/26/471421026.db2.gz ZIFZMORLUKPWFT-UHFFFAOYSA-N 2 2 331.464 2.296 10 0 EEAELP CCC[N@@H+](C)CC(C)(C)NC(=O)NCCc1cn2ccccc2[nH+]1 ZINC000663549161 471421033 /nfs/dbraw/zinc/42/10/33/471421033.db2.gz ZIFZMORLUKPWFT-UHFFFAOYSA-N 2 2 331.464 2.296 10 0 EEAELP C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CS1 ZINC000655710810 471451816 /nfs/dbraw/zinc/45/18/16/471451816.db2.gz CRVZHOVPMHATDG-SJORKVTESA-N 3 2 334.533 2.467 10 0 EEAELP [NH3+]CCCN(Cc1ccccc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000653136140 471502733 /nfs/dbraw/zinc/50/27/33/471502733.db2.gz BGXHANOTMZSWOK-UHFFFAOYSA-N 2 2 326.444 2.140 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(S(N)(=O)=O)cc1 ZINC000655849313 471503419 /nfs/dbraw/zinc/50/34/19/471503419.db2.gz TWFNGDAQBMLEHP-IAOVAPTHSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(S(N)(=O)=O)cc1 ZINC000655849313 471503422 /nfs/dbraw/zinc/50/34/22/471503422.db2.gz TWFNGDAQBMLEHP-IAOVAPTHSA-N 2 2 337.489 2.002 10 0 EEAELP CC(C)c1ccc(CNC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1 ZINC000663800058 471524446 /nfs/dbraw/zinc/52/44/46/471524446.db2.gz GDKKPVZWIOZDRU-UHFFFAOYSA-N 2 2 334.508 2.493 10 0 EEAELP CC(C)c1ccc(CNC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000663800058 471524451 /nfs/dbraw/zinc/52/44/51/471524451.db2.gz GDKKPVZWIOZDRU-UHFFFAOYSA-N 2 2 334.508 2.493 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC/C=C/C[NH3+])c(C)c1 ZINC000669540569 471541590 /nfs/dbraw/zinc/54/15/90/471541590.db2.gz JGQRLLBWAYPIAQ-REMYHPOOSA-N 2 2 327.432 2.055 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669544300 471544147 /nfs/dbraw/zinc/54/41/47/471544147.db2.gz YBXFQAKZGUXVCV-PZGMIKLFSA-N 2 2 340.830 2.038 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NC/C=C\C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669544300 471544151 /nfs/dbraw/zinc/54/41/51/471544151.db2.gz YBXFQAKZGUXVCV-PZGMIKLFSA-N 2 2 340.830 2.038 10 0 EEAELP CC[N@@H+]1CCO[C@@H](c2nc(CCCCn3c[nH+]c(C)c3C)no2)C1 ZINC000656040378 471576382 /nfs/dbraw/zinc/57/63/82/471576382.db2.gz HYEYMJFNAOECBR-OAHLLOKOSA-N 2 2 333.436 2.299 10 0 EEAELP CC[N@H+]1CCO[C@@H](c2nc(CCCCn3c[nH+]c(C)c3C)no2)C1 ZINC000656040378 471576384 /nfs/dbraw/zinc/57/63/84/471576384.db2.gz HYEYMJFNAOECBR-OAHLLOKOSA-N 2 2 333.436 2.299 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(F)cc1 ZINC000659428888 471622042 /nfs/dbraw/zinc/62/20/42/471622042.db2.gz INVJPVAMUHJQGC-HZPDHXFCSA-N 2 2 347.438 2.321 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000659429218 471622074 /nfs/dbraw/zinc/62/20/74/471622074.db2.gz LTVINGLIUQCHMR-QGZVFWFLSA-N 2 2 329.448 2.104 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000670081368 471672692 /nfs/dbraw/zinc/67/26/92/471672692.db2.gz NCDZDCNWUIWACS-AWEZNQCLSA-N 2 2 333.461 2.055 10 0 EEAELP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670082521 471674147 /nfs/dbraw/zinc/67/41/47/471674147.db2.gz VMIFMQPXMBWNBV-CQSZACIVSA-N 2 2 333.480 2.202 10 0 EEAELP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cc[nH+]cc2N(C)C)C1 ZINC000670082521 471674153 /nfs/dbraw/zinc/67/41/53/471674153.db2.gz VMIFMQPXMBWNBV-CQSZACIVSA-N 2 2 333.480 2.202 10 0 EEAELP O=C(C[N@H+]1CC[C@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000661509477 471784639 /nfs/dbraw/zinc/78/46/39/471784639.db2.gz DOCYMAVONROTTF-SFHVURJKSA-N 2 2 331.435 2.316 10 0 EEAELP O=C(C[N@@H+]1CC[C@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000661509477 471784643 /nfs/dbraw/zinc/78/46/43/471784643.db2.gz DOCYMAVONROTTF-SFHVURJKSA-N 2 2 331.435 2.316 10 0 EEAELP Oc1ccccc1N1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667472454 471790467 /nfs/dbraw/zinc/79/04/67/471790467.db2.gz JDGUVUVVWTWMCJ-UHFFFAOYSA-N 2 2 335.411 2.295 10 0 EEAELP Cc1cccn2c(NC(=O)N(CC[NH+](C)C)C[C@H]3CCCO3)c[nH+]c12 ZINC000667950393 471959191 /nfs/dbraw/zinc/95/91/91/471959191.db2.gz CHZXDVMJWOGBBX-OAHLLOKOSA-N 2 2 345.447 2.217 10 0 EEAELP Cc1cccn2c(NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)c[nH+]c12 ZINC000667959382 471963761 /nfs/dbraw/zinc/96/37/61/471963761.db2.gz MHKLBBKUSCFUJB-HNNXBMFYSA-N 2 2 343.431 2.018 10 0 EEAELP C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662092418 471981971 /nfs/dbraw/zinc/98/19/71/471981971.db2.gz AELWBKPSEVVONS-VYDXJSESSA-N 2 2 341.459 2.443 10 0 EEAELP C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000662092418 471981979 /nfs/dbraw/zinc/98/19/79/471981979.db2.gz AELWBKPSEVVONS-VYDXJSESSA-N 2 2 341.459 2.443 10 0 EEAELP [NH3+][C@H]1C[C@H](N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c2ccccc21 ZINC000665274848 471986478 /nfs/dbraw/zinc/98/64/78/471986478.db2.gz ZPIFOEZNJGBSPR-INDMIFKZSA-N 2 2 327.472 2.364 10 0 EEAELP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c2ccccc21 ZINC000665274848 471986481 /nfs/dbraw/zinc/98/64/81/471986481.db2.gz ZPIFOEZNJGBSPR-INDMIFKZSA-N 2 2 327.472 2.364 10 0 EEAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662262665 472049010 /nfs/dbraw/zinc/04/90/10/472049010.db2.gz IJYSZACBJBVVBZ-MAUKXSAKSA-N 2 2 339.430 2.022 10 0 EEAELP Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000662315405 472067110 /nfs/dbraw/zinc/06/71/10/472067110.db2.gz FGCSGIDKEMMNAZ-HXUWFJFHSA-N 2 2 335.451 2.314 10 0 EEAELP Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000662315405 472067112 /nfs/dbraw/zinc/06/71/12/472067112.db2.gz FGCSGIDKEMMNAZ-HXUWFJFHSA-N 2 2 335.451 2.314 10 0 EEAELP CC(=O)c1ccccc1OCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318316 472068065 /nfs/dbraw/zinc/06/80/65/472068065.db2.gz YXWFZWYWDXLKCK-KRWDZBQOSA-N 2 2 334.460 2.311 10 0 EEAELP CC(=O)c1ccccc1OCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662318316 472068067 /nfs/dbraw/zinc/06/80/67/472068067.db2.gz YXWFZWYWDXLKCK-KRWDZBQOSA-N 2 2 334.460 2.311 10 0 EEAELP O=C(NCCCCNc1cccc[nH+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662446910 472112046 /nfs/dbraw/zinc/11/20/46/472112046.db2.gz RSSVIBKATVSRND-UHFFFAOYSA-N 2 2 343.431 2.159 10 0 EEAELP CN(C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000665619386 472114040 /nfs/dbraw/zinc/11/40/40/472114040.db2.gz VVGQZRFULPRDDU-KRWDZBQOSA-N 2 2 343.475 2.060 10 0 EEAELP CN(C(=O)NCc1ccc[nH+]c1N1CCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000665619386 472114046 /nfs/dbraw/zinc/11/40/46/472114046.db2.gz VVGQZRFULPRDDU-KRWDZBQOSA-N 2 2 343.475 2.060 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3CCC(C4CC4)CC3)C2)CC1 ZINC000668638728 472203567 /nfs/dbraw/zinc/20/35/67/472203567.db2.gz BCCIMSXRZAIVMP-ABHNRTSZSA-N 2 2 333.520 2.488 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3CCC(C4CC4)CC3)C2)CC1 ZINC000668638728 472203571 /nfs/dbraw/zinc/20/35/71/472203571.db2.gz BCCIMSXRZAIVMP-ABHNRTSZSA-N 2 2 333.520 2.488 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc(N2CCCC2)c1 ZINC000665872024 472221697 /nfs/dbraw/zinc/22/16/97/472221697.db2.gz PZKAHJXXFQBLTQ-UHFFFAOYSA-N 2 2 347.507 2.292 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc(N2CCCC2)c1 ZINC000665872024 472221704 /nfs/dbraw/zinc/22/17/04/472221704.db2.gz PZKAHJXXFQBLTQ-UHFFFAOYSA-N 2 2 347.507 2.292 10 0 EEAELP CCn1ncc2ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc21 ZINC000665898169 472230162 /nfs/dbraw/zinc/23/01/62/472230162.db2.gz YNECJFDMSKFBMP-UHFFFAOYSA-N 2 2 346.479 2.061 10 0 EEAELP CCn1ncc2ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc21 ZINC000665898169 472230166 /nfs/dbraw/zinc/23/01/66/472230166.db2.gz YNECJFDMSKFBMP-UHFFFAOYSA-N 2 2 346.479 2.061 10 0 EEAELP CC(C)OC1CC([NH2+]C[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)C1 ZINC000668758586 472255812 /nfs/dbraw/zinc/25/58/12/472255812.db2.gz ACMRNIWPEXMMBP-IOJLRTSASA-N 2 2 331.504 2.348 10 0 EEAELP CC(C)OC1CC([NH2+]C[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)C1 ZINC000668758586 472255819 /nfs/dbraw/zinc/25/58/19/472255819.db2.gz ACMRNIWPEXMMBP-IOJLRTSASA-N 2 2 331.504 2.348 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C(C)C ZINC000662825204 472267605 /nfs/dbraw/zinc/26/76/05/472267605.db2.gz FJZCIFHKYZQXFD-LPHOPBHVSA-N 2 2 346.519 2.447 10 0 EEAELP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C(C)C ZINC000662825204 472267612 /nfs/dbraw/zinc/26/76/12/472267612.db2.gz FJZCIFHKYZQXFD-LPHOPBHVSA-N 2 2 346.519 2.447 10 0 EEAELP COC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000678764560 485495351 /nfs/dbraw/zinc/49/53/51/485495351.db2.gz WLWMMIXSGQSNND-PMACEKPBSA-N 2 2 328.456 2.457 10 0 EEAELP COC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000678764560 485495357 /nfs/dbraw/zinc/49/53/57/485495357.db2.gz WLWMMIXSGQSNND-PMACEKPBSA-N 2 2 328.456 2.457 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055368 485551112 /nfs/dbraw/zinc/55/11/12/485551112.db2.gz JRWADNZNJXGEJI-VXIBKDFQSA-N 2 2 347.503 2.293 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055368 485551121 /nfs/dbraw/zinc/55/11/21/485551121.db2.gz JRWADNZNJXGEJI-VXIBKDFQSA-N 2 2 347.503 2.293 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055368 485551126 /nfs/dbraw/zinc/55/11/26/485551126.db2.gz JRWADNZNJXGEJI-VXIBKDFQSA-N 2 2 347.503 2.293 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000654055368 485551130 /nfs/dbraw/zinc/55/11/30/485551130.db2.gz JRWADNZNJXGEJI-VXIBKDFQSA-N 2 2 347.503 2.293 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC000668096637 485620579 /nfs/dbraw/zinc/62/05/79/485620579.db2.gz NESMUYYYPSXOFT-UHFFFAOYSA-N 2 2 327.432 2.023 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1=O ZINC000683929796 485689504 /nfs/dbraw/zinc/68/95/04/485689504.db2.gz DWPFWXCOIZEZKV-QGZVFWFLSA-N 2 2 337.427 2.182 10 0 EEAELP Cc1nc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000684157256 485781270 /nfs/dbraw/zinc/78/12/70/485781270.db2.gz CDTQVZKCCVHTSV-UHFFFAOYSA-N 2 2 337.493 2.132 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675689812 486046930 /nfs/dbraw/zinc/04/69/30/486046930.db2.gz FUTOEXHXESSKTO-CVEARBPZSA-N 2 2 343.431 2.099 10 0 EEAELP Cc1nc(N2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000676080888 486135729 /nfs/dbraw/zinc/13/57/29/486135729.db2.gz LLBUDBDBKGJMBH-HNNXBMFYSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1nc(N2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000676080888 486135736 /nfs/dbraw/zinc/13/57/36/486135736.db2.gz LLBUDBDBKGJMBH-HNNXBMFYSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000685573823 486149080 /nfs/dbraw/zinc/14/90/80/486149080.db2.gz LBDKAMSMXQXZKC-IBGZPJMESA-N 2 2 329.444 2.360 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000685573823 486149089 /nfs/dbraw/zinc/14/90/89/486149089.db2.gz LBDKAMSMXQXZKC-IBGZPJMESA-N 2 2 329.444 2.360 10 0 EEAELP Cc1nc(C)c(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000685573823 486149096 /nfs/dbraw/zinc/14/90/96/486149096.db2.gz LBDKAMSMXQXZKC-IBGZPJMESA-N 2 2 329.444 2.360 10 0 EEAELP Cc1nc(C)c(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000685573823 486149102 /nfs/dbraw/zinc/14/91/02/486149102.db2.gz LBDKAMSMXQXZKC-IBGZPJMESA-N 2 2 329.444 2.360 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[NH+]2CCC2)cc1 ZINC000677017506 486363442 /nfs/dbraw/zinc/36/34/42/486363442.db2.gz NVWOFIOUGFSUDV-AWEZNQCLSA-N 2 2 327.432 2.247 10 0 EEAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(-c3ccccc3)n2)CC1 ZINC000171631263 534076813 /nfs/dbraw/zinc/07/68/13/534076813.db2.gz SVYGVCDCFWMUIF-HNNXBMFYSA-N 2 2 344.459 2.261 10 0 EEAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(-c3ccccc3)n2)CC1 ZINC000171631263 534076821 /nfs/dbraw/zinc/07/68/21/534076821.db2.gz SVYGVCDCFWMUIF-HNNXBMFYSA-N 2 2 344.459 2.261 10 0 EEAELP [NH3+]CC[C@@H](NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C(F)(F)F ZINC000415989395 534642851 /nfs/dbraw/zinc/64/28/51/534642851.db2.gz AHGQTRSGFINWQK-SNVBAGLBSA-N 2 2 349.744 2.067 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NCc2ccccc2Cn2cc[nH+]c2)cn1 ZINC000426187985 535998557 /nfs/dbraw/zinc/99/85/57/535998557.db2.gz FISPNEUHFTUDGN-UHFFFAOYSA-N 2 2 349.438 2.318 10 0 EEAELP COc1ccc([C@H]([NH2+]CC2CCN(C(C)=O)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422732637 536930276 /nfs/dbraw/zinc/93/02/76/536930276.db2.gz AEFOCNCJJZNZPF-UXHICEINSA-N 2 2 345.487 2.336 10 0 EEAELP C[C@@]1(C[N@H+](CCO)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000262020743 677845172 /nfs/dbraw/zinc/84/51/72/677845172.db2.gz NEEQHCXWYCKFOW-CYBMUJFWSA-N 2 2 333.295 2.305 10 0 EEAELP C[C@@]1(C[N@@H+](CCO)Cc2cc(Br)cs2)CC[NH2+]C1 ZINC000262020743 677845177 /nfs/dbraw/zinc/84/51/77/677845177.db2.gz NEEQHCXWYCKFOW-CYBMUJFWSA-N 2 2 333.295 2.305 10 0 EEAELP CC1=NO[C@@H](C[NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC000895299209 684463244 /nfs/dbraw/zinc/46/32/44/684463244.db2.gz CQJSQSIZORJEFL-CYBMUJFWSA-N 2 2 341.358 2.324 10 0 EEAELP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(F)c(F)c2F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925580305 684549986 /nfs/dbraw/zinc/54/99/86/684549986.db2.gz LDTGDSULZMSGOA-JVZDSHEPSA-N 2 2 341.377 2.409 10 0 EEAELP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC000897729492 691772334 /nfs/dbraw/zinc/77/23/34/691772334.db2.gz BOZSRLDXSLCBMZ-CRAIPNDOSA-N 2 2 342.443 2.062 10 0 EEAELP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)c(C)s1 ZINC001485746660 1191929204 /nfs/dbraw/zinc/92/92/04/1191929204.db2.gz KWVGRFNEXDWMJD-LLVKDONJSA-N 2 2 349.504 2.409 10 0 EEAELP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)nc1)[NH+](C)C ZINC001691105609 1177584882 /nfs/dbraw/zinc/58/48/82/1177584882.db2.gz GVAFCVVIAMJRIX-LSDHHAIUSA-N 2 2 338.883 2.156 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001266885324 1177705357 /nfs/dbraw/zinc/70/53/57/1177705357.db2.gz DPTDSQHFYGTPNM-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001266885324 1177705361 /nfs/dbraw/zinc/70/53/61/1177705361.db2.gz DPTDSQHFYGTPNM-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001266885324 1177705370 /nfs/dbraw/zinc/70/53/70/1177705370.db2.gz DPTDSQHFYGTPNM-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP CCOCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 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2 348.491 2.364 10 0 EEAELP C[N@H+](Cc1ccon1)C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001485078100 1191645916 /nfs/dbraw/zinc/64/59/16/1191645916.db2.gz FJIAQOADDLXCIC-SFHVURJKSA-N 2 2 348.491 2.364 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001485216008 1191688885 /nfs/dbraw/zinc/68/88/85/1191688885.db2.gz LESDQHZHHYXDSV-UONOGXRCSA-N 2 2 343.475 2.010 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC001486180747 1193718144 /nfs/dbraw/zinc/71/81/44/1193718144.db2.gz PGAKVHUQVYNXIG-RHSMWYFYSA-N 2 2 348.466 2.032 10 0 EEAELP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1Cc1cncc(F)c1 ZINC001486180747 1193718145 /nfs/dbraw/zinc/71/81/45/1193718145.db2.gz PGAKVHUQVYNXIG-RHSMWYFYSA-N 2 2 348.466 2.032 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C(F)(F)F ZINC001486254546 1193781694 /nfs/dbraw/zinc/78/16/94/1193781694.db2.gz VAQVFDJVZBGBPE-QWHCGFSZSA-N 2 2 344.381 2.145 10 0 EEAELP CC(C)[NH+]1CCC([C@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001486446646 1193961301 /nfs/dbraw/zinc/96/13/01/1193961301.db2.gz TYLMUJQDDWLMPA-HNNXBMFYSA-N 2 2 332.492 2.387 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[C@H]1CCCC1(C)C ZINC001414696378 1196324511 /nfs/dbraw/zinc/32/45/11/1196324511.db2.gz NCEPLTXIBHAJQN-MRXNPFEDSA-N 2 2 326.529 2.386 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[C@H]1CCCC1(C)C ZINC001414696378 1196324515 /nfs/dbraw/zinc/32/45/15/1196324515.db2.gz NCEPLTXIBHAJQN-MRXNPFEDSA-N 2 2 326.529 2.386 10 0 EEAELP Cc1oncc1C[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001410043908 1197519262 /nfs/dbraw/zinc/51/92/62/1197519262.db2.gz ZXMGHKRWECJCJO-CZUORRHYSA-N 2 2 345.447 2.157 10 0 EEAELP Cc1oncc1C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001410043908 1197519269 /nfs/dbraw/zinc/51/92/69/1197519269.db2.gz ZXMGHKRWECJCJO-CZUORRHYSA-N 2 2 345.447 2.157 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001410121453 1197556196 /nfs/dbraw/zinc/55/61/96/1197556196.db2.gz NWZVQIWCAWYSNA-LDLYASANSA-N 2 2 344.503 2.227 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001410121453 1197556202 /nfs/dbraw/zinc/55/62/02/1197556202.db2.gz NWZVQIWCAWYSNA-LDLYASANSA-N 2 2 344.503 2.227 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001410401351 1197807897 /nfs/dbraw/zinc/80/78/97/1197807897.db2.gz VSJZYXLPUDXQAI-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001410401351 1197807907 /nfs/dbraw/zinc/80/79/07/1197807907.db2.gz VSJZYXLPUDXQAI-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872148832 1198057465 /nfs/dbraw/zinc/05/74/65/1198057465.db2.gz IBQMVOUANGSOJB-FXAWDEMLSA-N 2 2 329.488 2.355 10 0 EEAELP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872148832 1198057472 /nfs/dbraw/zinc/05/74/72/1198057472.db2.gz IBQMVOUANGSOJB-FXAWDEMLSA-N 2 2 329.488 2.355 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC(C)C)C1 ZINC001411032039 1198712338 /nfs/dbraw/zinc/71/23/38/1198712338.db2.gz YNXJOZGTNOTLDB-STQMWFEESA-N 2 2 346.397 2.143 10 0 EEAELP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273427436 1198803878 /nfs/dbraw/zinc/80/38/78/1198803878.db2.gz JEMKLAUHPOWKDL-GVDBMIGSSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001273427436 1198803882 /nfs/dbraw/zinc/80/38/82/1198803882.db2.gz JEMKLAUHPOWKDL-GVDBMIGSSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273427436 1198803884 /nfs/dbraw/zinc/80/38/84/1198803884.db2.gz JEMKLAUHPOWKDL-GVDBMIGSSA-N 2 2 348.491 2.157 10 0 EEAELP CC(C)COCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001273427436 1198803889 /nfs/dbraw/zinc/80/38/89/1198803889.db2.gz JEMKLAUHPOWKDL-GVDBMIGSSA-N 2 2 348.491 2.157 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)o1 ZINC001411115328 1198811421 /nfs/dbraw/zinc/81/14/21/1198811421.db2.gz WLRMEJVCULJYFC-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]2C)c(C)o1 ZINC001411115328 1198811423 /nfs/dbraw/zinc/81/14/23/1198811423.db2.gz WLRMEJVCULJYFC-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP CN(C(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001411236145 1198947856 /nfs/dbraw/zinc/94/78/56/1198947856.db2.gz NDJOCTRJYCXTLV-FHERZECASA-N 2 2 332.492 2.461 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411859 1201510704 /nfs/dbraw/zinc/51/07/04/1201510704.db2.gz XNZHHHDYDDKHBP-HOJAQTOUSA-N 2 2 345.531 2.332 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411859 1201510707 /nfs/dbraw/zinc/51/07/07/1201510707.db2.gz XNZHHHDYDDKHBP-HOJAQTOUSA-N 2 2 345.531 2.332 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000866411301 1201510721 /nfs/dbraw/zinc/51/07/21/1201510721.db2.gz IVXAYBVBXJTJQK-RDJZCZTQSA-N 2 2 333.476 2.147 10 0 EEAELP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC(C)(C)O)C2)c1 ZINC000866411301 1201510726 /nfs/dbraw/zinc/51/07/26/1201510726.db2.gz IVXAYBVBXJTJQK-RDJZCZTQSA-N 2 2 333.476 2.147 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000868695118 1201861294 /nfs/dbraw/zinc/86/12/94/1201861294.db2.gz GMGXFXYUSCQHMO-SFHVURJKSA-N 2 2 335.411 2.320 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000868695118 1201861295 /nfs/dbraw/zinc/86/12/95/1201861295.db2.gz GMGXFXYUSCQHMO-SFHVURJKSA-N 2 2 335.411 2.320 10 0 EEAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCSC2)c1 ZINC000131284974 1202035275 /nfs/dbraw/zinc/03/52/75/1202035275.db2.gz AHRMPMYZUKTYOL-KRWDZBQOSA-N 2 2 336.501 2.383 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000133166526 1202175532 /nfs/dbraw/zinc/17/55/32/1202175532.db2.gz AHBDQVJNKLJSTE-HOTGVXAUSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000133166526 1202175536 /nfs/dbraw/zinc/17/55/36/1202175536.db2.gz AHBDQVJNKLJSTE-HOTGVXAUSA-N 2 2 337.414 2.311 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCc2[nH+]ccn2C)cc1C ZINC001274227838 1204900785 /nfs/dbraw/zinc/90/07/85/1204900785.db2.gz LJKSORSLNRSJPW-PLNGDYQASA-N 2 2 340.471 2.432 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C/C=C\CNC(=O)CCn2cc[nH+]c2)c1 ZINC001274244305 1204972751 /nfs/dbraw/zinc/97/27/51/1204972751.db2.gz LSWIEZSPGJMNOR-ARJAWSKDSA-N 2 2 326.444 2.352 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]Cc1cc2ccccc2o1 ZINC001274509096 1205062229 /nfs/dbraw/zinc/06/22/29/1205062229.db2.gz JGXYLLQUVBJUIZ-SNAWJCMRSA-N 2 2 338.411 2.171 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1C[NH2+]CCOCC1CCC1 ZINC001275048356 1205244046 /nfs/dbraw/zinc/24/40/46/1205244046.db2.gz LPWBOSATIJJRMU-KRWDZBQOSA-N 2 2 348.491 2.048 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)CCn1cc[nH+]c1 ZINC001275251335 1205290917 /nfs/dbraw/zinc/29/09/17/1205290917.db2.gz NJDPBMZUMNIVFI-UONOGXRCSA-N 2 2 328.407 2.193 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC1CC(C[NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001275299540 1205302504 /nfs/dbraw/zinc/30/25/04/1205302504.db2.gz YKAZYZCISUZSKI-MOENNCHZSA-N 2 2 345.274 2.021 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001412429978 1205722683 /nfs/dbraw/zinc/72/26/83/1205722683.db2.gz JRLISJSDQNGRPR-AWEZNQCLSA-N 2 2 330.432 2.446 10 0 EEAELP CC[C@]1(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCC[NH2+]1 ZINC000134561185 1205833615 /nfs/dbraw/zinc/83/36/15/1205833615.db2.gz VEUSZCXLHCSEMV-LJQANCHMSA-N 2 2 326.444 2.122 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@@H]2CC[N@@H+]2C)C[C@@H](C)O1 ZINC000925396698 1206106641 /nfs/dbraw/zinc/10/66/41/1206106641.db2.gz BRTJEDSFNAVNRQ-INMHGKMJSA-N 2 2 346.475 2.121 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC[C@@H]2CC[N@H+]2C)C[C@@H](C)O1 ZINC000925396698 1206106643 /nfs/dbraw/zinc/10/66/43/1206106643.db2.gz BRTJEDSFNAVNRQ-INMHGKMJSA-N 2 2 346.475 2.121 10 0 EEAELP CSCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)c1nnc2ccccn21 ZINC000925524302 1206122825 /nfs/dbraw/zinc/12/28/25/1206122825.db2.gz RIIHKLDSVRGGBD-BFHYXJOUSA-N 2 2 331.489 2.383 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(OC(F)(F)F)c2)CC1 ZINC000925926440 1206169854 /nfs/dbraw/zinc/16/98/54/1206169854.db2.gz HSUIRXZYIMDUQS-UHFFFAOYSA-N 2 2 346.353 2.130 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000925986463 1206178500 /nfs/dbraw/zinc/17/85/00/1206178500.db2.gz FBYMSXMLVORDHC-UHFFFAOYSA-N 2 2 348.344 2.389 10 0 EEAELP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CCN(OCc3ccccc3)CC1)C2 ZINC000926450982 1206221441 /nfs/dbraw/zinc/22/14/41/1206221441.db2.gz UKCQPOIGTPRHBP-KRWDZBQOSA-N 2 2 326.444 2.453 10 0 EEAELP CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000926492334 1206223915 /nfs/dbraw/zinc/22/39/15/1206223915.db2.gz LXXCVLCLNAANGX-AQNXPRMDSA-N 2 2 332.488 2.056 10 0 EEAELP CC(C)[C@H]1COCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000926492334 1206223916 /nfs/dbraw/zinc/22/39/16/1206223916.db2.gz LXXCVLCLNAANGX-AQNXPRMDSA-N 2 2 332.488 2.056 10 0 EEAELP Cn1cc[nH+]c1N1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000930067885 1206532709 /nfs/dbraw/zinc/53/27/09/1206532709.db2.gz PFCPRBGGQCCUGP-STQMWFEESA-N 2 2 332.370 2.042 10 0 EEAELP Cc1nnc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)o1 ZINC000931614865 1207426092 /nfs/dbraw/zinc/42/60/92/1207426092.db2.gz GIEHBPDICQYMDU-MJGOQNOKSA-N 2 2 326.444 2.374 10 0 EEAELP Cc1nnc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)o1 ZINC000931614865 1207426093 /nfs/dbraw/zinc/42/60/93/1207426093.db2.gz GIEHBPDICQYMDU-MJGOQNOKSA-N 2 2 326.444 2.374 10 0 EEAELP Cc1nnc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)o1 ZINC000931614865 1207426095 /nfs/dbraw/zinc/42/60/95/1207426095.db2.gz GIEHBPDICQYMDU-MJGOQNOKSA-N 2 2 326.444 2.374 10 0 EEAELP Cc1nnc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@]3(C)C2)o1 ZINC000931614865 1207426097 /nfs/dbraw/zinc/42/60/97/1207426097.db2.gz GIEHBPDICQYMDU-MJGOQNOKSA-N 2 2 326.444 2.374 10 0 EEAELP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)COc2ccc3cc[nH]c3c2)CC1 ZINC000931700607 1207444147 /nfs/dbraw/zinc/44/41/47/1207444147.db2.gz QTFRMUAHZTUNNT-KRWDZBQOSA-N 2 2 343.471 2.468 10 0 EEAELP Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)s1 ZINC000903893705 1242364573 /nfs/dbraw/zinc/36/45/73/1242364573.db2.gz YUPZUDDAXFRNIG-JSGCOSHPSA-N 2 2 334.493 2.469 10 0 EEAELP Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cnnn2[C@H]2CCC[NH2+]C2)s1 ZINC000903893705 1242364580 /nfs/dbraw/zinc/36/45/80/1242364580.db2.gz YUPZUDDAXFRNIG-JSGCOSHPSA-N 2 2 334.493 2.469 10 0 EEAELP COC(=O)[C@H](Cc1cc2ccccc2o1)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000903959933 1242732195 /nfs/dbraw/zinc/73/21/95/1242732195.db2.gz SGKLVXWJMZEVSY-CPUCHLNUSA-N 2 2 330.428 2.495 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001491062455 1258630811 /nfs/dbraw/zinc/63/08/11/1258630811.db2.gz IONPGFVFFIPTCR-WQVCFCJDSA-N 2 2 330.407 2.164 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001491062455 1258630819 /nfs/dbraw/zinc/63/08/19/1258630819.db2.gz IONPGFVFFIPTCR-WQVCFCJDSA-N 2 2 330.407 2.164 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CCCCC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC001488666944 1290118436 /nfs/dbraw/zinc/11/84/36/1290118436.db2.gz JDQMEQUYLHQEGF-ZDUSSCGKSA-N 2 2 332.370 2.218 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CCCCC(F)(F)F)C(=O)Cc1c[nH+]c[nH]1 ZINC001488666944 1290118438 /nfs/dbraw/zinc/11/84/38/1290118438.db2.gz JDQMEQUYLHQEGF-ZDUSSCGKSA-N 2 2 332.370 2.218 10 0 EEAELP CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000851846182 1291883797 /nfs/dbraw/zinc/88/37/97/1291883797.db2.gz PTJJNGAESMRPKN-STQMWFEESA-N 2 2 331.353 2.174 10 0 EEAELP CCOP(=O)(OCC)[C@H](O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000851846182 1291883812 /nfs/dbraw/zinc/88/38/12/1291883812.db2.gz PTJJNGAESMRPKN-STQMWFEESA-N 2 2 331.353 2.174 10 0 EEAELP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000852211980 1292041901 /nfs/dbraw/zinc/04/19/01/1292041901.db2.gz YIYQKRKYRAQFIK-MSOLQXFVSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000852211980 1292041911 /nfs/dbraw/zinc/04/19/11/1292041911.db2.gz YIYQKRKYRAQFIK-MSOLQXFVSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000852211980 1292041919 /nfs/dbraw/zinc/04/19/19/1292041919.db2.gz YIYQKRKYRAQFIK-MSOLQXFVSA-N 2 2 340.895 2.325 10 0 EEAELP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000852211980 1292041930 /nfs/dbraw/zinc/04/19/30/1292041930.db2.gz YIYQKRKYRAQFIK-MSOLQXFVSA-N 2 2 340.895 2.325 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591056 1293575236 /nfs/dbraw/zinc/57/52/36/1293575236.db2.gz HJRICJQZQBSFEF-GUYCJALGSA-N 2 2 345.447 2.439 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591056 1293575241 /nfs/dbraw/zinc/57/52/41/1293575241.db2.gz HJRICJQZQBSFEF-GUYCJALGSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591056 1293575244 /nfs/dbraw/zinc/57/52/44/1293575244.db2.gz HJRICJQZQBSFEF-GUYCJALGSA-N 2 2 345.447 2.439 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)c3nnc(C)o3)C2)ccn1 ZINC000856591056 1293575248 /nfs/dbraw/zinc/57/52/48/1293575248.db2.gz HJRICJQZQBSFEF-GUYCJALGSA-N 2 2 345.447 2.439 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Br)n1 ZINC000858196008 1294042187 /nfs/dbraw/zinc/04/21/87/1294042187.db2.gz GDUHFKVQTKJKHS-CYBMUJFWSA-N 2 2 341.297 2.394 10 0 EEAELP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(Br)n1 ZINC000858196008 1294042195 /nfs/dbraw/zinc/04/21/95/1294042195.db2.gz GDUHFKVQTKJKHS-CYBMUJFWSA-N 2 2 341.297 2.394 10 0 EEAELP CCO[C@H](C[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)C[NH+](C)C ZINC000926961511 1296970493 /nfs/dbraw/zinc/97/04/93/1296970493.db2.gz JJVSBQVBKJEYMW-SXLOBPIMSA-N 2 2 349.519 2.005 10 0 EEAELP CCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)CC1(C)C ZINC001278651666 1317564905 /nfs/dbraw/zinc/56/49/05/1317564905.db2.gz QTORYECMNYYFIT-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]Cc1ccns1 ZINC001263955452 1322568012 /nfs/dbraw/zinc/56/80/12/1322568012.db2.gz LCGICLOYOUKCEV-CZUORRHYSA-N 2 2 347.488 2.216 10 0 EEAELP C[C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)[C@H](C[NH2+]CCOC2CCC2)C1 ZINC001263992020 1322580082 /nfs/dbraw/zinc/58/00/82/1322580082.db2.gz YOPAEYMZCDBOGW-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)[C@H](C[NH2+]CCOC2CCC2)C1 ZINC001263992020 1322580086 /nfs/dbraw/zinc/58/00/86/1322580086.db2.gz YOPAEYMZCDBOGW-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP CC(C)COCC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001264395420 1322689728 /nfs/dbraw/zinc/68/97/28/1322689728.db2.gz UCWLNTYQIJOSGC-FZNQNYSPSA-N 2 2 344.459 2.334 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@H]1CC[NH2+]CCOC1CCC1 ZINC001264517274 1322721529 /nfs/dbraw/zinc/72/15/29/1322721529.db2.gz DJHKPLJHECHILW-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP C[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)CC1CCC(F)(F)CC1 ZINC001265040476 1322882477 /nfs/dbraw/zinc/88/24/77/1322882477.db2.gz BJAZIZCCPZPJSX-UHFFFAOYSA-N 2 2 328.407 2.216 10 0 EEAELP C[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)CC1CCC(F)(F)CC1 ZINC001265040476 1322882480 /nfs/dbraw/zinc/88/24/80/1322882480.db2.gz BJAZIZCCPZPJSX-UHFFFAOYSA-N 2 2 328.407 2.216 10 0 EEAELP CC[C@@H](F)C[N@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167294 1322961267 /nfs/dbraw/zinc/96/12/67/1322961267.db2.gz KKPTZFDBGWLFER-LSDHHAIUSA-N 2 2 336.455 2.164 10 0 EEAELP CC[C@@H](F)C[N@@H+](CCCNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001265167294 1322961271 /nfs/dbraw/zinc/96/12/71/1322961271.db2.gz KKPTZFDBGWLFER-LSDHHAIUSA-N 2 2 336.455 2.164 10 0 EEAELP COCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001265673715 1323313433 /nfs/dbraw/zinc/31/34/33/1323313433.db2.gz KRKJSCSMPPNEQZ-SJORKVTESA-N 2 2 336.480 2.087 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265718470 1323350609 /nfs/dbraw/zinc/35/06/09/1323350609.db2.gz ZXZLVGNWTAWWQP-KRTOSJAQSA-N 2 2 330.476 2.329 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265718470 1323350615 /nfs/dbraw/zinc/35/06/15/1323350615.db2.gz ZXZLVGNWTAWWQP-KRTOSJAQSA-N 2 2 330.476 2.329 10 0 EEAELP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2ncc(C)s2)CC1)[NH+](C)C ZINC001279675833 1323976440 /nfs/dbraw/zinc/97/64/40/1323976440.db2.gz NGZMNGKOQMEVJT-OAHLLOKOSA-N 2 2 336.505 2.040 10 0 EEAELP CC[C@H](C(=O)NCC1=CC[N@@H+](Cc2ncc(C)s2)CC1)[NH+](C)C ZINC001279675833 1323976444 /nfs/dbraw/zinc/97/64/44/1323976444.db2.gz NGZMNGKOQMEVJT-OAHLLOKOSA-N 2 2 336.505 2.040 10 0 EEAELP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC001279715267 1323984619 /nfs/dbraw/zinc/98/46/19/1323984619.db2.gz BMFWIGUFDCYTIW-MRXNPFEDSA-N 2 2 344.434 2.401 10 0 EEAELP Cc1conc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001280207347 1324115113 /nfs/dbraw/zinc/11/51/13/1324115113.db2.gz JOHQQVDLBDMXLX-HOTGVXAUSA-N 2 2 345.447 2.159 10 0 EEAELP CC/C=C\CC[N@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001280406217 1324204592 /nfs/dbraw/zinc/20/45/92/1324204592.db2.gz KZVPZOSXZLGWTQ-SLXDBMQSSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C\CC[N@@H+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001280406217 1324204588 /nfs/dbraw/zinc/20/45/88/1324204588.db2.gz KZVPZOSXZLGWTQ-SLXDBMQSSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C\CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001280406217 1324204596 /nfs/dbraw/zinc/20/45/96/1324204596.db2.gz KZVPZOSXZLGWTQ-SLXDBMQSSA-N 2 2 337.508 2.033 10 0 EEAELP CC/C=C\CC[NH+]1CCOC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001280406217 1324204600 /nfs/dbraw/zinc/20/46/00/1324204600.db2.gz KZVPZOSXZLGWTQ-SLXDBMQSSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)OCC[NH2+]C1(C)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001281535931 1325239126 /nfs/dbraw/zinc/23/91/26/1325239126.db2.gz ACXPKKVJJMAZFI-UHFFFAOYSA-N 2 2 336.480 2.059 10 0 EEAELP CC(C)[C@H](CCN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCF ZINC001282558550 1325741123 /nfs/dbraw/zinc/74/11/23/1325741123.db2.gz SBOIJRIKWYMKET-HOTGVXAUSA-N 2 2 338.471 2.268 10 0 EEAELP Cc1ccc(CCC[NH2+][C@@H](C)CN(C)C(=O)Cc2c[nH+]cn2C)cc1 ZINC001283702552 1326209841 /nfs/dbraw/zinc/20/98/41/1326209841.db2.gz NCODLEAUWBCONT-KRWDZBQOSA-N 2 2 342.487 2.340 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001284067409 1326390696 /nfs/dbraw/zinc/39/06/96/1326390696.db2.gz BDJGEOROAZPRMZ-IEBWSBKVSA-N 2 2 348.491 2.059 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@]2(NC(=O)Cn3cc[nH+]c3)CCC[C@@H]12 ZINC001284067409 1326390698 /nfs/dbraw/zinc/39/06/98/1326390698.db2.gz BDJGEOROAZPRMZ-IEBWSBKVSA-N 2 2 348.491 2.059 10 0 EEAELP CC(C)OCCC[NH2+]C1CC(N(C)C(=O)c2cccc3[nH+]ccn32)C1 ZINC001284780591 1326710826 /nfs/dbraw/zinc/71/08/26/1326710826.db2.gz WRUGRQNHTKDYMX-UHFFFAOYSA-N 2 2 344.459 2.342 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCCCC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC001316772246 1331885271 /nfs/dbraw/zinc/88/52/71/1331885271.db2.gz JHZRMSABUGDQMF-DLBZAZTESA-N 2 2 348.491 2.130 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[NH2+]C/C=C\c1ccccc1 ZINC001317599377 1332318859 /nfs/dbraw/zinc/31/88/59/1332318859.db2.gz UDHVHFJTGDRVGI-TWGQIWQCSA-N 2 2 339.439 2.394 10 0 EEAELP COCCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@H]1C ZINC001319692920 1332743204 /nfs/dbraw/zinc/74/32/04/1332743204.db2.gz WNXQZGKTPOFKJP-HIFRSBDPSA-N 2 2 330.432 2.040 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2cnccc2C)c[nH+]1 ZINC001320464814 1332890475 /nfs/dbraw/zinc/89/04/75/1332890475.db2.gz SUUKEXRVMFPKTA-HNNXBMFYSA-N 2 2 343.475 2.315 10 0 EEAELP O=C(NCC=CC[NH2+]CCC(F)(F)F)c1cc2c[nH+]ccc2[nH]1 ZINC001321120464 1333023853 /nfs/dbraw/zinc/02/38/53/1333023853.db2.gz JLESWBNQRZFMLW-OWOJBTEDSA-N 2 2 326.322 2.391 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)C[C@H](C)n2cc[nH+]c2)sn1 ZINC001321270944 1333060229 /nfs/dbraw/zinc/06/02/29/1333060229.db2.gz LNGHSHAQDWNOSM-NQHOJNORSA-N 2 2 333.461 2.061 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CCc1ccccc1Cl ZINC001321362884 1333084576 /nfs/dbraw/zinc/08/45/76/1333084576.db2.gz HTPNZBGARCTGLK-SNAWJCMRSA-N 2 2 346.862 2.419 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCCCO1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321896044 1333175140 /nfs/dbraw/zinc/17/51/40/1333175140.db2.gz HVLZZGDUPOMDFW-ZFWWWQNUSA-N 2 2 330.432 2.230 10 0 EEAELP CCc1onc(C)c1C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001321898491 1333175470 /nfs/dbraw/zinc/17/54/70/1333175470.db2.gz SGEHEHRIEAWXBS-NSHDSACASA-N 2 2 341.415 2.330 10 0 EEAELP C[C@@H](C[NH2+]Cc1nc2ccccc2o1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001322004965 1333194068 /nfs/dbraw/zinc/19/40/68/1333194068.db2.gz ZAHLSBISGYMUNZ-KBPBESRZSA-N 2 2 341.415 2.270 10 0 EEAELP COCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001323640178 1333506327 /nfs/dbraw/zinc/50/63/27/1333506327.db2.gz CHRMXECKMQRZFR-FUHWJXTLSA-N 2 2 348.491 2.000 10 0 EEAELP COCCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001323640178 1333506329 /nfs/dbraw/zinc/50/63/29/1333506329.db2.gz CHRMXECKMQRZFR-FUHWJXTLSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H]1C[NH2+]CCc1ccc(C)cc1 ZINC001324262040 1333645299 /nfs/dbraw/zinc/64/52/99/1333645299.db2.gz DUBWKZOZGKWJOL-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP COCCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001324484394 1333693331 /nfs/dbraw/zinc/69/33/31/1333693331.db2.gz XFQONTTYPRKUQN-GOSISDBHSA-N 2 2 344.459 2.478 10 0 EEAELP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001324753002 1333752636 /nfs/dbraw/zinc/75/26/36/1333752636.db2.gz UEWQEAKMYWVXFP-LPHOPBHVSA-N 2 2 332.492 2.464 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325914482 1333992995 /nfs/dbraw/zinc/99/29/95/1333992995.db2.gz AFNNIXUQJPVFQU-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP COCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325914482 1333992997 /nfs/dbraw/zinc/99/29/97/1333992997.db2.gz AFNNIXUQJPVFQU-QZTJIDSGSA-N 2 2 348.491 2.155 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001328868779 1334537617 /nfs/dbraw/zinc/53/76/17/1334537617.db2.gz GKKKBYOCIQDBEK-UHFFFAOYSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001328868779 1334537619 /nfs/dbraw/zinc/53/76/19/1334537619.db2.gz GKKKBYOCIQDBEK-UHFFFAOYSA-N 2 2 347.850 2.075 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001329202534 1334605593 /nfs/dbraw/zinc/60/55/93/1334605593.db2.gz LOOMCCXBDLGSGQ-DLBZAZTESA-N 2 2 328.460 2.307 10 0 EEAELP C[C@@H]1C[C@@H]([NH2+]CCOCC2CC2)CN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001331994812 1335700416 /nfs/dbraw/zinc/70/04/16/1335700416.db2.gz INMQPVGZFIUEGE-CZUORRHYSA-N 2 2 342.443 2.182 10 0 EEAELP C[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001666640349 1355557752 /nfs/dbraw/zinc/55/77/52/1355557752.db2.gz DHDYOBUWZPKRNZ-OLZOCXBDSA-N 2 2 328.407 2.120 10 0 EEAELP Cc1[nH]c([C@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)[nH+]c1C ZINC001434486132 1341855910 /nfs/dbraw/zinc/85/59/10/1341855910.db2.gz MSHGBGDUZDBASH-QGZVFWFLSA-N 2 2 347.507 2.152 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1Cc1ccc2ncccc2c1 ZINC001499120941 1342108493 /nfs/dbraw/zinc/10/84/93/1342108493.db2.gz YKCWHWYUJPMHDF-SFHVURJKSA-N 2 2 338.455 2.021 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@@H]1CC[N@H+]1Cc1ccc2ncccc2c1 ZINC001499120941 1342108495 /nfs/dbraw/zinc/10/84/95/1342108495.db2.gz YKCWHWYUJPMHDF-SFHVURJKSA-N 2 2 338.455 2.021 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC001506584084 1342261020 /nfs/dbraw/zinc/26/10/20/1342261020.db2.gz QVUFBNNRKMVQHZ-SFHVURJKSA-N 2 2 326.444 2.444 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H]1CCCCC[N@H+]1Cc1ccccc1 ZINC001506584084 1342261024 /nfs/dbraw/zinc/26/10/24/1342261024.db2.gz QVUFBNNRKMVQHZ-SFHVURJKSA-N 2 2 326.444 2.444 10 0 EEAELP CC[C@H](F)C[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001506682508 1342312339 /nfs/dbraw/zinc/31/23/39/1342312339.db2.gz NSNFFFKYSDMGQR-YJBOKZPZSA-N 2 2 335.467 2.303 10 0 EEAELP CC[C@H](F)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001506682508 1342312341 /nfs/dbraw/zinc/31/23/41/1342312341.db2.gz NSNFFFKYSDMGQR-YJBOKZPZSA-N 2 2 335.467 2.303 10 0 EEAELP COCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)CC1 ZINC001569864488 1342962259 /nfs/dbraw/zinc/96/22/59/1342962259.db2.gz ZIEKNRKMSOLWMY-SHTZXODSSA-N 2 2 344.459 2.335 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC001677635917 1357379701 /nfs/dbraw/zinc/37/97/01/1357379701.db2.gz ALOFOXWAFPEMTF-UHFFFAOYSA-N 2 2 344.846 2.485 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1=CC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC001677635917 1357379706 /nfs/dbraw/zinc/37/97/06/1357379706.db2.gz ALOFOXWAFPEMTF-UHFFFAOYSA-N 2 2 344.846 2.485 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1=CCCCC1 ZINC001649461981 1353518527 /nfs/dbraw/zinc/51/85/27/1353518527.db2.gz RHCYGZIAYMXTAD-RDJZCZTQSA-N 2 2 330.476 2.430 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]Cc2cccc3cccnc32)C1 ZINC001656240793 1354218089 /nfs/dbraw/zinc/21/80/89/1354218089.db2.gz GHKZOIHAOBSUDI-RZDIXWSQSA-N 2 2 349.438 2.116 10 0 EEAELP c1c(C[NH2+]CCCCNc2cccc[nH+]2)nnn1Cc1cccnc1 ZINC001657088368 1354321499 /nfs/dbraw/zinc/32/14/99/1354321499.db2.gz UPLKTYNTGNEJNI-UHFFFAOYSA-N 2 2 337.431 2.098 10 0 EEAELP CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)cc(F)c1 ZINC001660635740 1354506660 /nfs/dbraw/zinc/50/66/60/1354506660.db2.gz RTJCUTRUAXVIRJ-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1cc(F)cc(F)c1 ZINC001660635740 1354506664 /nfs/dbraw/zinc/50/66/64/1354506664.db2.gz RTJCUTRUAXVIRJ-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001663598020 1354996748 /nfs/dbraw/zinc/99/67/48/1354996748.db2.gz HPITZJNVXXPYLJ-DSLCMKTCSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001663598020 1354996752 /nfs/dbraw/zinc/99/67/52/1354996752.db2.gz HPITZJNVXXPYLJ-DSLCMKTCSA-N 2 2 330.476 2.240 10 0 EEAELP C[C@](C[NH2+]CCC1CC1)(NC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001666005791 1355424534 /nfs/dbraw/zinc/42/45/34/1355424534.db2.gz VGBUOVYLLKSOKQ-DNVCBOLYSA-N 2 2 330.476 2.120 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CCC(CC[NH2+]CCCF)CC1 ZINC001666223570 1355488698 /nfs/dbraw/zinc/48/86/98/1355488698.db2.gz MLQWBDYBZQFBPI-INIZCTEOSA-N 2 2 336.455 2.023 10 0 EEAELP CC[NH2+]CCC1CCN(C(=O)Cc2cn3cccc(C)c3[nH+]2)CC1 ZINC001666252895 1355495939 /nfs/dbraw/zinc/49/59/39/1355495939.db2.gz OMLSKRKWOYAYSP-UHFFFAOYSA-N 2 2 328.460 2.423 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001666432865 1355526107 /nfs/dbraw/zinc/52/61/07/1355526107.db2.gz JXCGQLQYLWAVDF-MULDZMIYSA-N 2 2 330.476 2.382 10 0 EEAELP CO[C@H](C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001668886760 1356035131 /nfs/dbraw/zinc/03/51/31/1356035131.db2.gz AUIIHWWRGURHPX-ZMUQKWFASA-N 2 2 342.443 2.254 10 0 EEAELP O=C(NC/C=C\C[NH2+]Cc1cccc(F)c1)[C@H]1CCn2cc[nH+]c2C1 ZINC001668892746 1356038062 /nfs/dbraw/zinc/03/80/62/1356038062.db2.gz IPKPLARJSGFZEU-AIMAZDRCSA-N 2 2 342.418 2.047 10 0 EEAELP O=C(NC/C=C\C[NH2+]CC1CC2(CCC2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001668893417 1356038386 /nfs/dbraw/zinc/03/83/86/1356038386.db2.gz MXDCWMVBWRFGAM-NLVOMGJBSA-N 2 2 342.487 2.288 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001669091715 1356091024 /nfs/dbraw/zinc/09/10/24/1356091024.db2.gz QNYZMOJCCIOTKF-SNAWJCMRSA-N 2 2 342.443 2.120 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)NC(=O)CCc1c[nH+]cn1C ZINC001669728410 1356199466 /nfs/dbraw/zinc/19/94/66/1356199466.db2.gz GGIJCUSUXPYEBA-NWDGAFQWSA-N 2 2 347.290 2.031 10 0 EEAELP C[C@@H](CCNC(=O)Cc1c[nH+]cn1C)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001674249076 1356806979 /nfs/dbraw/zinc/80/69/79/1356806979.db2.gz HPUHAICKEZEYSD-RYUDHWBXSA-N 2 2 347.290 2.031 10 0 EEAELP CCc1ccc(CC[NH2+]C[C@H]2C[C@H](NC(=O)Cc3c[nH]c[nH+]3)C2)cc1 ZINC001675797294 1357049818 /nfs/dbraw/zinc/04/98/18/1357049818.db2.gz JUUQILWLZDXRDB-IYARVYRRSA-N 2 2 340.471 2.242 10 0 EEAELP O=C(c1cccc2[nH+]ccn21)N1C[C@@H]2C[N@H+](CCCCCF)C[C@@H]2C1 ZINC001699989116 1405640852 /nfs/dbraw/zinc/64/08/52/1405640852.db2.gz FBLVILPMLICVRI-IYBDPMFKSA-N 2 2 344.434 2.478 10 0 EEAELP O=C(c1cccc2[nH+]ccn21)N1C[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2C1 ZINC001699989116 1405640858 /nfs/dbraw/zinc/64/08/58/1405640858.db2.gz FBLVILPMLICVRI-IYBDPMFKSA-N 2 2 344.434 2.478 10 0 EEAELP C/C(=C/C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000907446836 784651168 /nfs/dbraw/zinc/65/11/68/784651168.db2.gz KZXKPXFXZLTAIK-QIBLBLAMSA-N 2 2 345.487 2.073 10 0 EEAELP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000819184219 785453023 /nfs/dbraw/zinc/45/30/23/785453023.db2.gz WZBWRWGLAKRCKG-IFXJQAMLSA-N 2 2 344.434 2.464 10 0 EEAELP CCS(=O)(=O)CC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000819185073 785453255 /nfs/dbraw/zinc/45/32/55/785453255.db2.gz KMQOUURHGBIIFB-KRWDZBQOSA-N 2 2 335.473 2.266 10 0 EEAELP C[N@@H+](Cc1cscc1Br)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000709990897 786976880 /nfs/dbraw/zinc/97/68/80/786976880.db2.gz FYIYNWKIPWRHMP-NSHDSACASA-N 2 2 331.279 2.463 10 0 EEAELP C[N@H+](Cc1cscc1Br)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000709990897 786976887 /nfs/dbraw/zinc/97/68/87/786976887.db2.gz FYIYNWKIPWRHMP-NSHDSACASA-N 2 2 331.279 2.463 10 0 EEAELP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000911200715 787304560 /nfs/dbraw/zinc/30/45/60/787304560.db2.gz LDWMXMIENUOROP-SFHVURJKSA-N 2 2 341.459 2.161 10 0 EEAELP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000911200715 787304573 /nfs/dbraw/zinc/30/45/73/787304573.db2.gz LDWMXMIENUOROP-SFHVURJKSA-N 2 2 341.459 2.161 10 0 EEAELP c1cc(C[NH2+]Cc2nc3c(s2)COCC3)n(-c2cc[nH+]cc2)n1 ZINC000922961295 788447336 /nfs/dbraw/zinc/44/73/36/788447336.db2.gz ZVVHHASCEDJBPX-UHFFFAOYSA-N 2 2 327.413 2.086 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000844187511 788894864 /nfs/dbraw/zinc/89/48/64/788894864.db2.gz HKXPMLIMQKHLPI-HUUCEWRRSA-N 2 2 331.451 2.472 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000844187511 788894874 /nfs/dbraw/zinc/89/48/74/788894874.db2.gz HKXPMLIMQKHLPI-HUUCEWRRSA-N 2 2 331.451 2.472 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000845312705 789735316 /nfs/dbraw/zinc/73/53/16/789735316.db2.gz QCNXWJGNDOORPB-MRXNPFEDSA-N 2 2 335.496 2.287 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000845312705 789735322 /nfs/dbraw/zinc/73/53/22/789735322.db2.gz QCNXWJGNDOORPB-MRXNPFEDSA-N 2 2 335.496 2.287 10 0 EEAELP COCCC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001148480528 792452129 /nfs/dbraw/zinc/45/21/29/792452129.db2.gz PDNKFFPMAPPWNN-CALCHBBNSA-N 2 2 348.491 2.137 10 0 EEAELP COCCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001148480528 792452136 /nfs/dbraw/zinc/45/21/36/792452136.db2.gz PDNKFFPMAPPWNN-CALCHBBNSA-N 2 2 348.491 2.137 10 0 EEAELP Cc1ncoc1C[N@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001566520205 1125692392 /nfs/dbraw/zinc/69/23/92/1125692392.db2.gz URKZTFQFNVQQBV-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1ncoc1C[N@@H+](C)CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001566520205 1125692404 /nfs/dbraw/zinc/69/24/04/1125692404.db2.gz URKZTFQFNVQQBV-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](C/C(Cl)=C/Cl)CC2 ZINC001436760110 1088275284 /nfs/dbraw/zinc/27/52/84/1088275284.db2.gz UKJGTTXXKJAMGR-UKVQZPPCSA-N 2 2 334.291 2.228 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001436841896 1088476076 /nfs/dbraw/zinc/47/60/76/1088476076.db2.gz NDAYVAWHYLNJSB-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)OCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001436841896 1088476080 /nfs/dbraw/zinc/47/60/80/1088476080.db2.gz NDAYVAWHYLNJSB-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)OCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001436841896 1088476085 /nfs/dbraw/zinc/47/60/85/1088476085.db2.gz NDAYVAWHYLNJSB-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)OCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001436841896 1088476090 /nfs/dbraw/zinc/47/60/90/1088476090.db2.gz NDAYVAWHYLNJSB-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)oc1C ZINC001437045468 1088926045 /nfs/dbraw/zinc/92/60/45/1088926045.db2.gz LDQFPKHZRSWAFZ-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@H+](C)C(C)C)oc1C ZINC001437045468 1088926060 /nfs/dbraw/zinc/92/60/60/1088926060.db2.gz LDQFPKHZRSWAFZ-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)oc1C ZINC001437045468 1088926070 /nfs/dbraw/zinc/92/60/70/1088926070.db2.gz LDQFPKHZRSWAFZ-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)oc1C ZINC001437045468 1088926078 /nfs/dbraw/zinc/92/60/78/1088926078.db2.gz LDQFPKHZRSWAFZ-MRXNPFEDSA-N 2 2 336.480 2.102 10 0 EEAELP CCc1nc(C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n2cc[nH+]c2)cs1 ZINC001437211834 1089288776 /nfs/dbraw/zinc/28/87/76/1089288776.db2.gz NNONXSDSSZVFTR-QWHCGFSZSA-N 2 2 335.477 2.148 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1cc(F)ccc1F ZINC001437376781 1089620854 /nfs/dbraw/zinc/62/08/54/1089620854.db2.gz BOXAAOLZTNFIKA-KCPJHIHWSA-N 2 2 348.397 2.476 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1cc(F)ccc1F ZINC001437376781 1089620864 /nfs/dbraw/zinc/62/08/64/1089620864.db2.gz BOXAAOLZTNFIKA-KCPJHIHWSA-N 2 2 348.397 2.476 10 0 EEAELP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cnccc1C)[NH+](CC)CC ZINC001438172546 1090681655 /nfs/dbraw/zinc/68/16/55/1090681655.db2.gz ALQSCGWKMRCVRW-FHWLQOOXSA-N 2 2 344.503 2.296 10 0 EEAELP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cnccc1C)[NH+](CC)CC ZINC001438172546 1090681659 /nfs/dbraw/zinc/68/16/59/1090681659.db2.gz ALQSCGWKMRCVRW-FHWLQOOXSA-N 2 2 344.503 2.296 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[N@H+](CC2CC(C)(C)C2)CCO1)n1cc[nH+]c1 ZINC001438574225 1091061785 /nfs/dbraw/zinc/06/17/85/1091061785.db2.gz FFYFMVWHKTUXFJ-RDJZCZTQSA-N 2 2 348.491 2.087 10 0 EEAELP C[C@@H](CC(=O)NC[C@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1)n1cc[nH+]c1 ZINC001438574225 1091061794 /nfs/dbraw/zinc/06/17/94/1091061794.db2.gz FFYFMVWHKTUXFJ-RDJZCZTQSA-N 2 2 348.491 2.087 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1F ZINC001445385383 1091128684 /nfs/dbraw/zinc/12/86/84/1091128684.db2.gz HPFPSFAQZPBWMD-BPLDGKMQSA-N 2 2 330.407 2.255 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1F ZINC001445385383 1091128687 /nfs/dbraw/zinc/12/86/87/1091128687.db2.gz HPFPSFAQZPBWMD-BPLDGKMQSA-N 2 2 330.407 2.255 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001445618456 1091414257 /nfs/dbraw/zinc/41/42/57/1091414257.db2.gz OSOUTAYRFHLTKZ-IUIKQTSFSA-N 2 2 348.397 2.096 10 0 EEAELP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001439220344 1091864891 /nfs/dbraw/zinc/86/48/91/1091864891.db2.gz ASEQYOOFRUQHDZ-HOCLYGCPSA-N 2 2 330.476 2.120 10 0 EEAELP Cc1csc(C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)n1 ZINC001439333346 1092020892 /nfs/dbraw/zinc/02/08/92/1092020892.db2.gz OIBUGFXNVDIZOK-DZGCQCFKSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1csc(C[N@H+](C)C[C@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)n1 ZINC001439333346 1092020903 /nfs/dbraw/zinc/02/09/03/1092020903.db2.gz OIBUGFXNVDIZOK-DZGCQCFKSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1csc(C[NH+](C)C[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)n1 ZINC001439333346 1092020913 /nfs/dbraw/zinc/02/09/13/1092020913.db2.gz OIBUGFXNVDIZOK-DZGCQCFKSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1csc(C[NH+](C)C[C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)n1 ZINC001439333346 1092020921 /nfs/dbraw/zinc/02/09/21/1092020921.db2.gz OIBUGFXNVDIZOK-DZGCQCFKSA-N 2 2 338.521 2.262 10 0 EEAELP CCCc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001439581384 1092477178 /nfs/dbraw/zinc/47/71/78/1092477178.db2.gz KBRNBBZBALRDRO-SFHVURJKSA-N 2 2 326.444 2.226 10 0 EEAELP CCCc1ccc(C[N@H+]2CC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001439581384 1092477185 /nfs/dbraw/zinc/47/71/85/1092477185.db2.gz KBRNBBZBALRDRO-SFHVURJKSA-N 2 2 326.444 2.226 10 0 EEAELP Cc1csc(C[NH+]2CCC(C)(CNC(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001439920879 1092998638 /nfs/dbraw/zinc/99/86/38/1092998638.db2.gz ZLVBHFRKCVTZNN-UHFFFAOYSA-N 2 2 347.488 2.067 10 0 EEAELP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1C[NH2+]C/C(Cl)=C/Cl ZINC001440139482 1093203931 /nfs/dbraw/zinc/20/39/31/1093203931.db2.gz YETIAJDIRKUJTM-QWXIZGFTSA-N 2 2 345.274 2.276 10 0 EEAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001448461819 1093472233 /nfs/dbraw/zinc/47/22/33/1093472233.db2.gz HGOJSDVBYPPHAP-WBVHZDCISA-N 2 2 348.491 2.128 10 0 EEAELP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001440360404 1093521870 /nfs/dbraw/zinc/52/18/70/1093521870.db2.gz FINMCCCSBIVQOX-IYARVYRRSA-N 2 2 326.444 2.185 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H]2CC(C)(C)CO2)C1)n1cc[nH+]c1 ZINC001448528296 1093561612 /nfs/dbraw/zinc/56/16/12/1093561612.db2.gz VDHJOFXLPCRWMR-QAETUUGQSA-N 2 2 348.491 2.134 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001440496753 1093737210 /nfs/dbraw/zinc/73/72/10/1093737210.db2.gz PJIFCRNEGKXUMX-IKGGRYGDSA-N 2 2 332.492 2.461 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)[C@H]1C ZINC001440496753 1093737213 /nfs/dbraw/zinc/73/72/13/1093737213.db2.gz PJIFCRNEGKXUMX-IKGGRYGDSA-N 2 2 332.492 2.461 10 0 EEAELP Cc1nc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)oc1C ZINC001448693957 1093756568 /nfs/dbraw/zinc/75/65/68/1093756568.db2.gz DKAOWDSGWGSZAY-CYBMUJFWSA-N 2 2 336.480 2.102 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)s1 ZINC001448802101 1093878594 /nfs/dbraw/zinc/87/85/94/1093878594.db2.gz ZTBOWURFIAPXKF-LLVKDONJSA-N 2 2 326.853 2.235 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)cc1F ZINC001440843582 1094101058 /nfs/dbraw/zinc/10/10/58/1094101058.db2.gz QEIQLILSAGAEJK-ZIAGYGMSSA-N 2 2 332.423 2.093 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@H+](C)Cc1ccsc1 ZINC001440949747 1094203086 /nfs/dbraw/zinc/20/30/86/1094203086.db2.gz ZDMXZXODVFVQCV-HIFRSBDPSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[N@@H+](C)Cc1ccsc1 ZINC001440949747 1094203089 /nfs/dbraw/zinc/20/30/89/1094203089.db2.gz ZDMXZXODVFVQCV-HIFRSBDPSA-N 2 2 332.473 2.144 10 0 EEAELP Cc1ncccc1C[N@@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001449276464 1094224826 /nfs/dbraw/zinc/22/48/26/1094224826.db2.gz MGRARQBJQHGEBW-UHFFFAOYSA-N 2 2 343.475 2.035 10 0 EEAELP Cc1ncccc1C[N@H+](C)CCN(C(=O)Cc1c[nH+]cn1C)C(C)C ZINC001449276464 1094224831 /nfs/dbraw/zinc/22/48/31/1094224831.db2.gz MGRARQBJQHGEBW-UHFFFAOYSA-N 2 2 343.475 2.035 10 0 EEAELP CC[C@@H](C)C[NH+]1CCN(CCNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001441059541 1094352764 /nfs/dbraw/zinc/35/27/64/1094352764.db2.gz SFHJJPRXYXLCDX-OAHLLOKOSA-N 2 2 346.519 2.400 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC001441181394 1094537456 /nfs/dbraw/zinc/53/74/56/1094537456.db2.gz FOPLOKWKEQTTGD-ZDUSSCGKSA-N 2 2 348.397 2.106 10 0 EEAELP Cc1conc1C[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001441189570 1094548089 /nfs/dbraw/zinc/54/80/89/1094548089.db2.gz VANYRNMXIZWDAK-HZPDHXFCSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001441365636 1094888717 /nfs/dbraw/zinc/88/87/17/1094888717.db2.gz DMSRPWNNICQPAC-OBJOEFQTSA-N 2 2 340.418 2.118 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1 ZINC001441365636 1094888739 /nfs/dbraw/zinc/88/87/39/1094888739.db2.gz DMSRPWNNICQPAC-OBJOEFQTSA-N 2 2 340.418 2.118 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441590125 1095418425 /nfs/dbraw/zinc/41/84/25/1095418425.db2.gz SNIPYNZFLUUXAN-ZIAGYGMSSA-N 2 2 340.418 2.216 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC[C@H]1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001441590125 1095418429 /nfs/dbraw/zinc/41/84/29/1095418429.db2.gz SNIPYNZFLUUXAN-ZIAGYGMSSA-N 2 2 340.418 2.216 10 0 EEAELP CC(C)Oc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1 ZINC001441648300 1095597295 /nfs/dbraw/zinc/59/72/95/1095597295.db2.gz YVPQQUCJJBBSNL-INIZCTEOSA-N 2 2 344.459 2.307 10 0 EEAELP C[C@@H](CC(=O)NC1CCC([NH2+]Cc2ccccn2)CC1)n1cc[nH+]c1 ZINC001441731839 1095714887 /nfs/dbraw/zinc/71/48/87/1095714887.db2.gz DUKDNHBHEWQJDE-GTPINHCMSA-N 2 2 341.459 2.446 10 0 EEAELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)cc1 ZINC001442310322 1096626724 /nfs/dbraw/zinc/62/67/24/1096626724.db2.gz ILPWXCUXGFANJP-ZIAGYGMSSA-N 2 2 332.423 2.412 10 0 EEAELP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(F)cc1 ZINC001442310322 1096626726 /nfs/dbraw/zinc/62/67/26/1096626726.db2.gz ILPWXCUXGFANJP-ZIAGYGMSSA-N 2 2 332.423 2.412 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001442912813 1097319232 /nfs/dbraw/zinc/31/92/32/1097319232.db2.gz YQSOJAZSTUKTAJ-KRWDZBQOSA-N 2 2 344.503 2.371 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001442912813 1097319239 /nfs/dbraw/zinc/31/92/39/1097319239.db2.gz YQSOJAZSTUKTAJ-KRWDZBQOSA-N 2 2 344.503 2.371 10 0 EEAELP CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001443213865 1097668088 /nfs/dbraw/zinc/66/80/88/1097668088.db2.gz SGXVXECHFFBTDQ-IRXDYDNUSA-N 2 2 330.476 2.168 10 0 EEAELP CCCN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001443213865 1097668094 /nfs/dbraw/zinc/66/80/94/1097668094.db2.gz SGXVXECHFFBTDQ-IRXDYDNUSA-N 2 2 330.476 2.168 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001443613176 1098109803 /nfs/dbraw/zinc/10/98/03/1098109803.db2.gz DUVNOICDSGLFIN-IFXJQAMLSA-N 2 2 338.455 2.324 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001443613176 1098109806 /nfs/dbraw/zinc/10/98/06/1098109806.db2.gz DUVNOICDSGLFIN-IFXJQAMLSA-N 2 2 338.455 2.324 10 0 EEAELP C[C@](C[NH2+]CC1CCC1)(NC(=O)[C@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001444136159 1098674966 /nfs/dbraw/zinc/67/49/66/1098674966.db2.gz TZOTWGMWPQFUPU-HNAYVOBHSA-N 2 2 330.476 2.120 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]Cc1c(F)cccc1Cl ZINC001444423588 1099043768 /nfs/dbraw/zinc/04/37/68/1099043768.db2.gz SCOBCOLLFFRKPS-LBPRGKRZSA-N 2 2 338.814 2.218 10 0 EEAELP C[C@@H]([NH2+]CCOC1CCC1)[C@H]1CCCCN1C(=O)CCn1cc[nH+]c1 ZINC001479827460 1099107799 /nfs/dbraw/zinc/10/77/99/1099107799.db2.gz SBWPPUXJAKNMDR-SJLPKXTDSA-N 2 2 348.491 2.202 10 0 EEAELP COC[C@H](C)[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001479869232 1099208815 /nfs/dbraw/zinc/20/88/15/1099208815.db2.gz UYFSCNADVNBBHD-HNNXBMFYSA-N 2 2 344.459 2.262 10 0 EEAELP COC[C@H](C)[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C1CC1 ZINC001479869232 1099208823 /nfs/dbraw/zinc/20/88/23/1099208823.db2.gz UYFSCNADVNBBHD-HNNXBMFYSA-N 2 2 344.459 2.262 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccsc1 ZINC001444649515 1099481772 /nfs/dbraw/zinc/48/17/72/1099481772.db2.gz XIJOBWSFEDZJCN-CYBMUJFWSA-N 2 2 333.457 2.331 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C2CC2)s1 ZINC001480054429 1099569935 /nfs/dbraw/zinc/56/99/35/1099569935.db2.gz XMPXIKHSWOJROL-MEDUHNTESA-N 2 2 347.488 2.038 10 0 EEAELP Cc1ncc(C[NH2+][C@H](CNC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C2CC2)s1 ZINC001480054429 1099569947 /nfs/dbraw/zinc/56/99/47/1099569947.db2.gz XMPXIKHSWOJROL-MEDUHNTESA-N 2 2 347.488 2.038 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001480118907 1099683379 /nfs/dbraw/zinc/68/33/79/1099683379.db2.gz NRXOOOKNRUCKGP-KRWDZBQOSA-N 2 2 326.444 2.166 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480189793 1099790118 /nfs/dbraw/zinc/79/01/18/1099790118.db2.gz SDGRLUSZAGDEEJ-IRXDYDNUSA-N 2 2 348.491 2.082 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480189793 1099790122 /nfs/dbraw/zinc/79/01/22/1099790122.db2.gz SDGRLUSZAGDEEJ-IRXDYDNUSA-N 2 2 348.491 2.082 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2)C1)n1cc[nH+]c1 ZINC001480226265 1099845811 /nfs/dbraw/zinc/84/58/11/1099845811.db2.gz PBTBWRMWFVGVNQ-NXHRZFHOSA-N 2 2 326.444 2.314 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccccc1 ZINC001444910985 1099983170 /nfs/dbraw/zinc/98/31/70/1099983170.db2.gz LSRQHILEKWIXMO-KURKYZTESA-N 2 2 340.471 2.454 10 0 EEAELP CN(CC[N@H+](C)Cc1cccc(F)c1Cl)C(=O)C[NH+]1CCCC1 ZINC001445081253 1100294256 /nfs/dbraw/zinc/29/42/56/1100294256.db2.gz GAKIWRQVVURIDN-UHFFFAOYSA-N 2 2 341.858 2.465 10 0 EEAELP CN(CC[N@@H+](C)Cc1cccc(F)c1Cl)C(=O)C[NH+]1CCCC1 ZINC001445081253 1100294260 /nfs/dbraw/zinc/29/42/60/1100294260.db2.gz GAKIWRQVVURIDN-UHFFFAOYSA-N 2 2 341.858 2.465 10 0 EEAELP Cc1ncc(C[N@@H+](C)CCN(C)C(=O)C[NH+](C)Cc2ccccc2)o1 ZINC001445084008 1100298371 /nfs/dbraw/zinc/29/83/71/1100298371.db2.gz AJLZYPMIKLIWQZ-UHFFFAOYSA-N 2 2 344.459 2.005 10 0 EEAELP Cc1ncc(C[N@H+](C)CCN(C)C(=O)C[NH+](C)Cc2ccccc2)o1 ZINC001445084008 1100298381 /nfs/dbraw/zinc/29/83/81/1100298381.db2.gz AJLZYPMIKLIWQZ-UHFFFAOYSA-N 2 2 344.459 2.005 10 0 EEAELP Cc1ncc(C[NH+](C)CCN(C)C(=O)C[N@H+](C)Cc2ccccc2)o1 ZINC001445084008 1100298388 /nfs/dbraw/zinc/29/83/88/1100298388.db2.gz AJLZYPMIKLIWQZ-UHFFFAOYSA-N 2 2 344.459 2.005 10 0 EEAELP Cc1ncc(C[NH+](C)CCN(C)C(=O)C[N@@H+](C)Cc2ccccc2)o1 ZINC001445084008 1100298393 /nfs/dbraw/zinc/29/83/93/1100298393.db2.gz AJLZYPMIKLIWQZ-UHFFFAOYSA-N 2 2 344.459 2.005 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCc2c[nH]c[nH+]2)sn1 ZINC001445111578 1100351716 /nfs/dbraw/zinc/35/17/16/1100351716.db2.gz HXHQEXRGDHBNJD-XJKSGUPXSA-N 2 2 347.488 2.182 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CCc2c[nH+]c[nH]2)sn1 ZINC001445111578 1100351726 /nfs/dbraw/zinc/35/17/26/1100351726.db2.gz HXHQEXRGDHBNJD-XJKSGUPXSA-N 2 2 347.488 2.182 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001496353892 1100947565 /nfs/dbraw/zinc/94/75/65/1100947565.db2.gz WRYPDUKWXCGXNB-ZFWWWQNUSA-N 2 2 330.432 2.040 10 0 EEAELP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)cc1 ZINC001495302729 1101003989 /nfs/dbraw/zinc/00/39/89/1101003989.db2.gz KSURKAUURZJTEZ-IBGZPJMESA-N 2 2 326.444 2.266 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]Cc1ccsc1 ZINC001495695150 1101449477 /nfs/dbraw/zinc/44/94/77/1101449477.db2.gz YRZLDRZCYZDLKS-HIFRSBDPSA-N 2 2 332.473 2.049 10 0 EEAELP CC(C)C[C@@H](C(=O)NCCN1CCC([NH2+]C(C)C)CC1)n1cc[nH+]c1 ZINC001446997322 1101726191 /nfs/dbraw/zinc/72/61/91/1101726191.db2.gz RNMMBIJLSQIPCO-SFHVURJKSA-N 2 2 349.523 2.049 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001496078231 1102018182 /nfs/dbraw/zinc/01/81/82/1102018182.db2.gz GFYBUGKAIJEFEF-HNNXBMFYSA-N 2 2 343.475 2.045 10 0 EEAELP C[C@@H](C[NH2+]Cc1cccc(N(C)C)c1)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001496078231 1102018197 /nfs/dbraw/zinc/01/81/97/1102018197.db2.gz GFYBUGKAIJEFEF-HNNXBMFYSA-N 2 2 343.475 2.045 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)CC[NH2+]CC3CCOCC3)ccn12 ZINC001497189210 1102096350 /nfs/dbraw/zinc/09/63/50/1102096350.db2.gz SIDDZSPWNBAJSY-CQSZACIVSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1cccnc1C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001496172872 1102168868 /nfs/dbraw/zinc/16/88/68/1102168868.db2.gz QLWMOEFJHFOVRV-HOTGVXAUSA-N 2 2 329.448 2.174 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)o1 ZINC001447309115 1102420803 /nfs/dbraw/zinc/42/08/03/1102420803.db2.gz SSONHRWOYTYXRZ-HOCLYGCPSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)CC2)o1 ZINC001447309115 1102420807 /nfs/dbraw/zinc/42/08/07/1102420807.db2.gz SSONHRWOYTYXRZ-HOCLYGCPSA-N 2 2 345.447 2.302 10 0 EEAELP Cc1conc1C[NH2+]C/C=C/CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001497620887 1102762256 /nfs/dbraw/zinc/76/22/56/1102762256.db2.gz MKUNLOYCEOHADK-ONEGZZNKSA-N 2 2 339.399 2.015 10 0 EEAELP CCCC[N@@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001494019352 1103359895 /nfs/dbraw/zinc/35/98/95/1103359895.db2.gz RDONMDCSQRWADU-INIZCTEOSA-N 2 2 332.492 2.390 10 0 EEAELP CCCC[N@H+]1CC[C@H](CCNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001494019352 1103359904 /nfs/dbraw/zinc/35/99/04/1103359904.db2.gz RDONMDCSQRWADU-INIZCTEOSA-N 2 2 332.492 2.390 10 0 EEAELP Cc1nc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)oc1C ZINC001448047504 1103892579 /nfs/dbraw/zinc/89/25/79/1103892579.db2.gz XLTNFADCNKLJKH-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@H+]2C)oc1C ZINC001448047504 1103892589 /nfs/dbraw/zinc/89/25/89/1103892589.db2.gz XLTNFADCNKLJKH-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)oc1C ZINC001448047504 1103892605 /nfs/dbraw/zinc/89/26/05/1103892605.db2.gz XLTNFADCNKLJKH-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1nc(C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]2CCC[NH+]2C)oc1C ZINC001448047504 1103892610 /nfs/dbraw/zinc/89/26/10/1103892610.db2.gz XLTNFADCNKLJKH-BBRMVZONSA-N 2 2 336.480 2.102 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001498044708 1106830198 /nfs/dbraw/zinc/83/01/98/1106830198.db2.gz OMJZZTZPQSZRIS-INIZCTEOSA-N 2 2 340.471 2.099 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)CCc1[nH+]ccn1C ZINC001498076659 1106891060 /nfs/dbraw/zinc/89/10/60/1106891060.db2.gz RGJLEGORGCTRSN-HWYHOQROSA-N 2 2 326.444 2.160 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001498172332 1107020549 /nfs/dbraw/zinc/02/05/49/1107020549.db2.gz OQOIVXCCLBORGO-AAEUAGOBSA-N 2 2 328.407 2.180 10 0 EEAELP C[C@H](CCNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CC1CC(C)C1 ZINC001480765680 1107070832 /nfs/dbraw/zinc/07/08/32/1107070832.db2.gz QWBDFQWLYJXPOH-HWOWSKLDSA-N 2 2 332.492 2.292 10 0 EEAELP C[C@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CCc1ccccc1 ZINC001480774985 1107091924 /nfs/dbraw/zinc/09/19/24/1107091924.db2.gz WPBAUJHDSNFTIK-SJLPKXTDSA-N 2 2 340.471 2.173 10 0 EEAELP CC1CC(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001480834377 1107234832 /nfs/dbraw/zinc/23/48/32/1107234832.db2.gz NXTYEZQDHTVNEP-OFLPRAFFSA-N 2 2 332.492 2.370 10 0 EEAELP CC1CC(C[N@H+]2CCC[C@H]2CCCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001480834377 1107234850 /nfs/dbraw/zinc/23/48/50/1107234850.db2.gz NXTYEZQDHTVNEP-OFLPRAFFSA-N 2 2 332.492 2.370 10 0 EEAELP COc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001498400113 1107457147 /nfs/dbraw/zinc/45/71/47/1107457147.db2.gz OEEIFCVZUXEPSE-LSDHHAIUSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001498400113 1107457152 /nfs/dbraw/zinc/45/71/52/1107457152.db2.gz OEEIFCVZUXEPSE-LSDHHAIUSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001498400113 1107457155 /nfs/dbraw/zinc/45/71/55/1107457155.db2.gz OEEIFCVZUXEPSE-LSDHHAIUSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001498400113 1107457162 /nfs/dbraw/zinc/45/71/62/1107457162.db2.gz OEEIFCVZUXEPSE-LSDHHAIUSA-N 2 2 344.459 2.234 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1oc(C)nc1C ZINC001498454285 1107558298 /nfs/dbraw/zinc/55/82/98/1107558298.db2.gz BEGOUWAKPLJUDT-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1oc(C)nc1C ZINC001498454285 1107558306 /nfs/dbraw/zinc/55/83/06/1107558306.db2.gz BEGOUWAKPLJUDT-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1oc(C)nc1C ZINC001498454285 1107558309 /nfs/dbraw/zinc/55/83/09/1107558309.db2.gz BEGOUWAKPLJUDT-XJKSGUPXSA-N 2 2 336.480 2.102 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]CC(F)(F)C(F)F ZINC001498656850 1107908137 /nfs/dbraw/zinc/90/81/37/1107908137.db2.gz BSJRATKHPFXGSU-TXEJJXNPSA-N 2 2 341.393 2.198 10 0 EEAELP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC[NH2+]CC(F)(F)C(F)F ZINC001498656850 1107908146 /nfs/dbraw/zinc/90/81/46/1107908146.db2.gz BSJRATKHPFXGSU-TXEJJXNPSA-N 2 2 341.393 2.198 10 0 EEAELP CC1(C)CC(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C2CC2)C1 ZINC001498775425 1108076800 /nfs/dbraw/zinc/07/68/00/1108076800.db2.gz SJUGRTANDHWRRK-BZUAXINKSA-N 2 2 330.476 2.434 10 0 EEAELP CC1(C)CC(C[NH2+]C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C2CC2)C1 ZINC001498775425 1108076814 /nfs/dbraw/zinc/07/68/14/1108076814.db2.gz SJUGRTANDHWRRK-BZUAXINKSA-N 2 2 330.476 2.434 10 0 EEAELP OC[C@H]1[C@@H]2C[N@H+](CCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)C[C@H]12 ZINC001460157423 1110256626 /nfs/dbraw/zinc/25/66/26/1110256626.db2.gz LFTYYNVSSCBILL-BWTSREIZSA-N 2 2 349.906 2.022 10 0 EEAELP OC[C@H]1[C@@H]2C[N@@H+](CCC[NH+]3CCN(c4ccc(Cl)cc4)CC3)C[C@H]12 ZINC001460157423 1110256629 /nfs/dbraw/zinc/25/66/29/1110256629.db2.gz LFTYYNVSSCBILL-BWTSREIZSA-N 2 2 349.906 2.022 10 0 EEAELP C[C@@]1(C[NH2+]CCc2cccs2)CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001500406338 1112808216 /nfs/dbraw/zinc/80/82/16/1112808216.db2.gz KETISJOXEQIJRZ-KRWDZBQOSA-N 2 2 332.473 2.016 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1C ZINC001501149888 1113215613 /nfs/dbraw/zinc/21/56/13/1113215613.db2.gz ISLPOYQRXRUGOD-DLBZAZTESA-N 2 2 334.508 2.473 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001501568150 1113385742 /nfs/dbraw/zinc/38/57/42/1113385742.db2.gz INADQJBSSPOXGK-MRXNPFEDSA-N 2 2 330.476 2.000 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001505622630 1114091706 /nfs/dbraw/zinc/09/17/06/1114091706.db2.gz WWFDOFFZIJEVPS-UONOGXRCSA-N 2 2 332.423 2.495 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001505622630 1114091711 /nfs/dbraw/zinc/09/17/11/1114091711.db2.gz WWFDOFFZIJEVPS-UONOGXRCSA-N 2 2 332.423 2.495 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1csc(C2CC2)n1 ZINC001505663614 1114117554 /nfs/dbraw/zinc/11/75/54/1114117554.db2.gz GYYXYAMSFLIFFT-QWHCGFSZSA-N 2 2 347.488 2.290 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)C[C@@H](C)[NH2+]Cc3cnc(C)o3)ccn12 ZINC001507074193 1115093824 /nfs/dbraw/zinc/09/38/24/1115093824.db2.gz SKPHXYRTDZRCKH-GFCCVEGCSA-N 2 2 341.415 2.189 10 0 EEAELP CCc1nc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001507130365 1115124366 /nfs/dbraw/zinc/12/43/66/1115124366.db2.gz UEJURSNWTFWHIW-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001508067027 1115409284 /nfs/dbraw/zinc/40/92/84/1115409284.db2.gz DOSXASOQFPIAJN-CYBMUJFWSA-N 2 2 340.418 2.145 10 0 EEAELP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001568022648 1124235068 /nfs/dbraw/zinc/23/50/68/1124235068.db2.gz CCLZAUSKMOWTBD-DNVCBOLYSA-N 2 2 330.476 2.286 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC001568141107 1124323728 /nfs/dbraw/zinc/32/37/28/1124323728.db2.gz VBAVVVAZMFEHLC-GDBMZVCRSA-N 2 2 342.443 2.184 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001568931437 1124963181 /nfs/dbraw/zinc/96/31/81/1124963181.db2.gz AJZNCAWOSUQUMB-SFAKSCPVSA-N 2 2 330.407 2.190 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C\C[NH2+]Cc1ccc(F)cc1 ZINC001568931437 1124963187 /nfs/dbraw/zinc/96/31/87/1124963187.db2.gz AJZNCAWOSUQUMB-SFAKSCPVSA-N 2 2 330.407 2.190 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1ccns1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569124418 1125113042 /nfs/dbraw/zinc/11/30/42/1125113042.db2.gz IBRKLDZBXNULAX-LBPRGKRZSA-N 2 2 343.456 2.312 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1ccns1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001569124418 1125113043 /nfs/dbraw/zinc/11/30/43/1125113043.db2.gz IBRKLDZBXNULAX-LBPRGKRZSA-N 2 2 343.456 2.312 10 0 EEAELP CCc1[nH]c(C[N@@H+]2CC[C@H](CNC(=O)c3occc3C)C2)c(C)[nH+]1 ZINC000067650457 215173973 /nfs/dbraw/zinc/17/39/73/215173973.db2.gz KHVHTXUCRSEFBK-CQSZACIVSA-N 2 2 330.432 2.434 10 0 EEAELP CCc1[nH]c(C[N@H+]2CC[C@H](CNC(=O)c3occc3C)C2)c(C)[nH+]1 ZINC000067650457 215173975 /nfs/dbraw/zinc/17/39/75/215173975.db2.gz KHVHTXUCRSEFBK-CQSZACIVSA-N 2 2 330.432 2.434 10 0 EEAELP FC(F)Oc1ccccc1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423069543 240350059 /nfs/dbraw/zinc/35/00/59/240350059.db2.gz LXZAAPZIOSAVGB-HZPDHXFCSA-N 2 2 326.387 2.187 10 0 EEAELP c1ccc(C[N@@H+]2CCC[C@H](N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826547 240248524 /nfs/dbraw/zinc/24/85/24/240248524.db2.gz CLUZIRAHOGFYDB-SLFFLAALSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(C[N@H+]2CCC[C@H](N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826547 240248534 /nfs/dbraw/zinc/24/85/34/240248534.db2.gz CLUZIRAHOGFYDB-SLFFLAALSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(CN2CCC[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)cc1 ZINC000422826547 240248543 /nfs/dbraw/zinc/24/85/43/240248543.db2.gz CLUZIRAHOGFYDB-SLFFLAALSA-N 2 2 329.488 2.008 10 0 EEAELP COc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1OC(F)F ZINC000422809031 240239780 /nfs/dbraw/zinc/23/97/80/240239780.db2.gz LSYFHHVJMHKVHQ-JKSUJKDBSA-N 2 2 342.386 2.153 10 0 EEAELP CCCCNC(=O)c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422945581 240303935 /nfs/dbraw/zinc/30/39/35/240303935.db2.gz UZRZZAPVEMEPLV-MOPGFXCFSA-N 2 2 345.487 2.073 10 0 EEAELP FC(F)(F)Oc1ccccc1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422927785 240293778 /nfs/dbraw/zinc/29/37/78/240293778.db2.gz HCOGEBCUNMNHMR-JKSUJKDBSA-N 2 2 344.377 2.484 10 0 EEAELP COc1cc(Br)ccc1C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423062412 240345070 /nfs/dbraw/zinc/34/50/70/240345070.db2.gz MYARUEYHEKWFHO-SMDDNHRTSA-N 2 2 343.265 2.314 10 0 EEAELP COc1ccc([C@@H](CN[C@@H](C)c2c[nH+]ccc2N)[NH+](C)C)cc1OC ZINC000422985695 240319102 /nfs/dbraw/zinc/31/91/02/240319102.db2.gz FVERGQLJVHORND-SUMWQHHRSA-N 2 2 344.459 2.465 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H](C)n4ccnc43)cn2)CC1 ZINC000453060266 243387465 /nfs/dbraw/zinc/38/74/65/243387465.db2.gz JQYSZFLXGMBIGF-RDJZCZTQSA-N 2 2 340.475 2.216 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000449388592 285259820 /nfs/dbraw/zinc/25/98/20/285259820.db2.gz ASXYNXROTGPUJX-HNNXBMFYSA-N 2 2 327.266 2.386 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000449388592 285259821 /nfs/dbraw/zinc/25/98/21/285259821.db2.gz ASXYNXROTGPUJX-HNNXBMFYSA-N 2 2 327.266 2.386 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](c2ccccc2)C1 ZINC000271346932 256235613 /nfs/dbraw/zinc/23/56/13/256235613.db2.gz VGVIJMUTLZRQHG-IBGZPJMESA-N 2 2 347.422 2.396 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@H](c2ccccc2)C1 ZINC000271346932 256235616 /nfs/dbraw/zinc/23/56/16/256235616.db2.gz VGVIJMUTLZRQHG-IBGZPJMESA-N 2 2 347.422 2.396 10 0 EEAELP C[N@@H+](Cc1cnc2cnccn12)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328637249 258025622 /nfs/dbraw/zinc/02/56/22/258025622.db2.gz ONCPKCUEDOJPDC-LPHOPBHVSA-N 2 2 336.443 2.249 10 0 EEAELP C[N@H+](Cc1cnc2cnccn12)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328637249 258025624 /nfs/dbraw/zinc/02/56/24/258025624.db2.gz ONCPKCUEDOJPDC-LPHOPBHVSA-N 2 2 336.443 2.249 10 0 EEAELP C[NH+](Cc1cnc2cnccn12)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328637249 258025626 /nfs/dbraw/zinc/02/56/26/258025626.db2.gz ONCPKCUEDOJPDC-LPHOPBHVSA-N 2 2 336.443 2.249 10 0 EEAELP C[NH+](Cc1cnc2cnccn12)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328637249 258025627 /nfs/dbraw/zinc/02/56/27/258025627.db2.gz ONCPKCUEDOJPDC-LPHOPBHVSA-N 2 2 336.443 2.249 10 0 EEAELP CC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000247288455 285382202 /nfs/dbraw/zinc/38/22/02/285382202.db2.gz ZYOQKINJIIFBCB-AEFFLSMTSA-N 2 2 347.528 2.235 10 0 EEAELP CC[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000247288455 285382203 /nfs/dbraw/zinc/38/22/03/285382203.db2.gz ZYOQKINJIIFBCB-AEFFLSMTSA-N 2 2 347.528 2.235 10 0 EEAELP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000074535899 292176096 /nfs/dbraw/zinc/17/60/96/292176096.db2.gz WPWVBOMSXNDJOA-MRXNPFEDSA-N 2 2 335.496 2.412 10 0 EEAELP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C1 ZINC000074535899 292176097 /nfs/dbraw/zinc/17/60/97/292176097.db2.gz WPWVBOMSXNDJOA-MRXNPFEDSA-N 2 2 335.496 2.412 10 0 EEAELP C[NH+]1CCC(CNC(=O)Cc2cccc(F)c2)([NH+]2CCCCC2)CC1 ZINC000172751792 152115007 /nfs/dbraw/zinc/11/50/07/152115007.db2.gz QRHXACKXRYHRLV-UHFFFAOYSA-N 2 2 347.478 2.435 10 0 EEAELP C[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[N@H+](C)Cc1ccccc1 ZINC000377332142 154148104 /nfs/dbraw/zinc/14/81/04/154148104.db2.gz VORDTXDDMJKLDU-GDBMZVCRSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000377332142 154148106 /nfs/dbraw/zinc/14/81/06/154148106.db2.gz VORDTXDDMJKLDU-GDBMZVCRSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000377332142 154148108 /nfs/dbraw/zinc/14/81/08/154148108.db2.gz VORDTXDDMJKLDU-GDBMZVCRSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000377332142 154148111 /nfs/dbraw/zinc/14/81/11/154148111.db2.gz VORDTXDDMJKLDU-GDBMZVCRSA-N 2 2 341.459 2.087 10 0 EEAELP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2CCOC)s1 ZINC000092745386 159226161 /nfs/dbraw/zinc/22/61/61/159226161.db2.gz FSJBYAXYBUWWMC-ZFWWWQNUSA-N 2 2 341.521 2.402 10 0 EEAELP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2CCOC)s1 ZINC000092745386 159226163 /nfs/dbraw/zinc/22/61/63/159226163.db2.gz FSJBYAXYBUWWMC-ZFWWWQNUSA-N 2 2 341.521 2.402 10 0 EEAELP CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2C)CC[N@@H+]1C[C@@H](C)O ZINC000192000860 160165025 /nfs/dbraw/zinc/16/50/25/160165025.db2.gz FNYUTEYHXIEGSP-MJGOQNOKSA-N 2 2 342.487 2.458 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NCc1ccnc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000195307481 160210157 /nfs/dbraw/zinc/21/01/57/160210157.db2.gz SPNBFRJZTWECMO-GOSISDBHSA-N 2 2 335.411 2.186 10 0 EEAELP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246307923 160272740 /nfs/dbraw/zinc/27/27/40/160272740.db2.gz YWLQCCPITGAGSD-NVXWUHKLSA-N 2 2 342.443 2.091 10 0 EEAELP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000246307923 160272742 /nfs/dbraw/zinc/27/27/42/160272742.db2.gz YWLQCCPITGAGSD-NVXWUHKLSA-N 2 2 342.443 2.091 10 0 EEAELP C[C@H](C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000246473056 160280803 /nfs/dbraw/zinc/28/08/03/160280803.db2.gz GWWOKOAYPPPGDP-SJLPKXTDSA-N 2 2 338.517 2.121 10 0 EEAELP C[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000246473056 160280804 /nfs/dbraw/zinc/28/08/04/160280804.db2.gz GWWOKOAYPPPGDP-SJLPKXTDSA-N 2 2 338.517 2.121 10 0 EEAELP C[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000246473056 160280806 /nfs/dbraw/zinc/28/08/06/160280806.db2.gz GWWOKOAYPPPGDP-SJLPKXTDSA-N 2 2 338.517 2.121 10 0 EEAELP C[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CS(C)(=O)=O ZINC000246473056 160280808 /nfs/dbraw/zinc/28/08/08/160280808.db2.gz GWWOKOAYPPPGDP-SJLPKXTDSA-N 2 2 338.517 2.121 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247124651 160311670 /nfs/dbraw/zinc/31/16/70/160311670.db2.gz GAXPUKHKBAQILJ-BMGDILEWSA-N 2 2 334.460 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247124651 160311672 /nfs/dbraw/zinc/31/16/72/160311672.db2.gz GAXPUKHKBAQILJ-BMGDILEWSA-N 2 2 334.460 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247124651 160311674 /nfs/dbraw/zinc/31/16/74/160311674.db2.gz GAXPUKHKBAQILJ-BMGDILEWSA-N 2 2 334.460 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000247124651 160311676 /nfs/dbraw/zinc/31/16/76/160311676.db2.gz GAXPUKHKBAQILJ-BMGDILEWSA-N 2 2 334.460 2.043 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000247217910 160314938 /nfs/dbraw/zinc/31/49/38/160314938.db2.gz YHDMXILHMOUYAP-DLBZAZTESA-N 2 2 333.407 2.235 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000247217910 160314940 /nfs/dbraw/zinc/31/49/40/160314940.db2.gz YHDMXILHMOUYAP-DLBZAZTESA-N 2 2 333.407 2.235 10 0 EEAELP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247287116 160318422 /nfs/dbraw/zinc/31/84/22/160318422.db2.gz TYWOFQKZTQWXEO-DOTOQJQBSA-N 2 2 335.879 2.372 10 0 EEAELP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247287116 160318423 /nfs/dbraw/zinc/31/84/23/160318423.db2.gz TYWOFQKZTQWXEO-DOTOQJQBSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247287116 160318424 /nfs/dbraw/zinc/31/84/24/160318424.db2.gz TYWOFQKZTQWXEO-DOTOQJQBSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3ccc(Cl)cc3)CC[C@H]21 ZINC000247287116 160318426 /nfs/dbraw/zinc/31/84/26/160318426.db2.gz TYWOFQKZTQWXEO-DOTOQJQBSA-N 2 2 335.879 2.372 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000247306220 160319347 /nfs/dbraw/zinc/31/93/47/160319347.db2.gz GSAIRPNFHDTAEN-OLZOCXBDSA-N 2 2 344.381 2.191 10 0 EEAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NCC(F)(F)F)C2)[nH+]1 ZINC000247306220 160319349 /nfs/dbraw/zinc/31/93/49/160319349.db2.gz GSAIRPNFHDTAEN-OLZOCXBDSA-N 2 2 344.381 2.191 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248170080 160339814 /nfs/dbraw/zinc/33/98/14/160339814.db2.gz UOLNVVOPZDILMH-PKOBYXMFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248170080 160339815 /nfs/dbraw/zinc/33/98/15/160339815.db2.gz UOLNVVOPZDILMH-PKOBYXMFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248170080 160339816 /nfs/dbraw/zinc/33/98/16/160339816.db2.gz UOLNVVOPZDILMH-PKOBYXMFSA-N 2 2 345.487 2.070 10 0 EEAELP COc1cccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248170080 160339817 /nfs/dbraw/zinc/33/98/17/160339817.db2.gz UOLNVVOPZDILMH-PKOBYXMFSA-N 2 2 345.487 2.070 10 0 EEAELP C[C@@H]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000342084521 161038039 /nfs/dbraw/zinc/03/80/39/161038039.db2.gz BCPDTCHJVUTZEV-ZWRCUJBNSA-N 2 2 348.535 2.375 10 0 EEAELP C[C@@H]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000342084521 161038040 /nfs/dbraw/zinc/03/80/40/161038040.db2.gz BCPDTCHJVUTZEV-ZWRCUJBNSA-N 2 2 348.535 2.375 10 0 EEAELP CCc1nc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cs1 ZINC000342795476 161091646 /nfs/dbraw/zinc/09/16/46/161091646.db2.gz NUGPRWCLFBSJSB-UHFFFAOYSA-N 2 2 325.478 2.213 10 0 EEAELP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[N@H+](C)C[C@H]3C)CC2)cs1 ZINC000344360103 161220191 /nfs/dbraw/zinc/22/01/91/161220191.db2.gz PFCIIOXVHPLUAU-PBHICJAKSA-N 3 2 336.549 2.457 10 0 EEAELP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000344360103 161220192 /nfs/dbraw/zinc/22/01/92/161220192.db2.gz PFCIIOXVHPLUAU-PBHICJAKSA-N 3 2 336.549 2.457 10 0 EEAELP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346489009 161376400 /nfs/dbraw/zinc/37/64/00/161376400.db2.gz KCEWYBKCPUGCTF-RYUDHWBXSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000346489009 161376401 /nfs/dbraw/zinc/37/64/01/161376401.db2.gz KCEWYBKCPUGCTF-RYUDHWBXSA-N 2 2 349.385 2.370 10 0 EEAELP CCS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360328313 164284781 /nfs/dbraw/zinc/28/47/81/164284781.db2.gz FLVCWCBDMWPKEK-AEFFLSMTSA-N 2 2 338.517 2.311 10 0 EEAELP CCS(=O)(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360328313 164284782 /nfs/dbraw/zinc/28/47/82/164284782.db2.gz FLVCWCBDMWPKEK-AEFFLSMTSA-N 2 2 338.517 2.311 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000375206344 167087605 /nfs/dbraw/zinc/08/76/05/167087605.db2.gz HZKRUFUJGRQWFV-QGZVFWFLSA-N 2 2 336.443 2.456 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000375206344 167087607 /nfs/dbraw/zinc/08/76/07/167087607.db2.gz HZKRUFUJGRQWFV-QGZVFWFLSA-N 2 2 336.443 2.456 10 0 EEAELP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000279684765 269300611 /nfs/dbraw/zinc/30/06/11/269300611.db2.gz AWTRQWJMYNEXIA-KRWDZBQOSA-N 2 2 326.444 2.026 10 0 EEAELP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)n(-c2ccccc2)n1 ZINC000279684765 269300612 /nfs/dbraw/zinc/30/06/12/269300612.db2.gz AWTRQWJMYNEXIA-KRWDZBQOSA-N 2 2 326.444 2.026 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000273123208 274184637 /nfs/dbraw/zinc/18/46/37/274184637.db2.gz RTDHBPSWEJJLEC-CQSZACIVSA-N 2 2 332.366 2.438 10 0 EEAELP COCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000273123208 274184639 /nfs/dbraw/zinc/18/46/39/274184639.db2.gz RTDHBPSWEJJLEC-CQSZACIVSA-N 2 2 332.366 2.438 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292108513 275377489 /nfs/dbraw/zinc/37/74/89/275377489.db2.gz ITKZKNWRTUAJBF-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292108513 275377491 /nfs/dbraw/zinc/37/74/91/275377491.db2.gz ITKZKNWRTUAJBF-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292108513 275377493 /nfs/dbraw/zinc/37/74/93/275377493.db2.gz ITKZKNWRTUAJBF-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292108513 275377495 /nfs/dbraw/zinc/37/74/95/275377495.db2.gz ITKZKNWRTUAJBF-HXUWFJFHSA-N 2 2 345.487 2.119 10 0 EEAELP COc1cccc(COC[C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267438250 278013408 /nfs/dbraw/zinc/01/34/08/278013408.db2.gz ARJAPWXSSCCSES-QGZVFWFLSA-N 2 2 345.443 2.175 10 0 EEAELP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000153178945 288042968 /nfs/dbraw/zinc/04/29/68/288042968.db2.gz SZVOOQZELRLABT-WBVHZDCISA-N 2 2 334.460 2.467 10 0 EEAELP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423455125 288078946 /nfs/dbraw/zinc/07/89/46/288078946.db2.gz BWUNYGXBQNWXFO-BREBYQMCSA-N 2 2 333.885 2.025 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000353400586 290216362 /nfs/dbraw/zinc/21/63/62/290216362.db2.gz FWEGIJLVTXWMSL-FHWLQOOXSA-N 3 2 335.536 2.484 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000353400586 290216364 /nfs/dbraw/zinc/21/63/64/290216364.db2.gz FWEGIJLVTXWMSL-FHWLQOOXSA-N 3 2 335.536 2.484 10 0 EEAELP c1c(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)nc2ncccn12 ZINC000297572781 294283418 /nfs/dbraw/zinc/28/34/18/294283418.db2.gz HZTUBUUJVOKDPN-UHFFFAOYSA-N 2 2 343.475 2.102 10 0 EEAELP C[C@@H]1CCC[C@](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)([NH+](C)C)C1 ZINC000301238402 294836789 /nfs/dbraw/zinc/83/67/89/294836789.db2.gz LENWTYUMUTXTNL-GJYPPUQNSA-N 2 2 347.507 2.360 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420362017 298115612 /nfs/dbraw/zinc/11/56/12/298115612.db2.gz HLRDNDDWGSTTJS-QINHECLXSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420362017 298115615 /nfs/dbraw/zinc/11/56/15/298115615.db2.gz HLRDNDDWGSTTJS-QINHECLXSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000284199068 311470450 /nfs/dbraw/zinc/47/04/50/311470450.db2.gz SJPVARRWAXWKQP-LSDHHAIUSA-N 2 2 333.457 2.348 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)c1 ZINC000313281711 311586625 /nfs/dbraw/zinc/58/66/25/311586625.db2.gz LTGWCAJSRLIZPX-CYBMUJFWSA-N 2 2 344.242 2.299 10 0 EEAELP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc[nH+]1 ZINC000333572185 312167882 /nfs/dbraw/zinc/16/78/82/312167882.db2.gz SBWYJXMQUCJIGZ-PASDCYSWSA-N 2 2 345.491 2.423 10 0 EEAELP CC[N@H+](CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000416866091 313340874 /nfs/dbraw/zinc/34/08/74/313340874.db2.gz ALUUGKQGFCLVHQ-HNNXBMFYSA-N 2 2 340.418 2.199 10 0 EEAELP CC[N@H+](CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000416879027 313345894 /nfs/dbraw/zinc/34/58/94/313345894.db2.gz WUWLJVJBSWNTAT-CALCHBBNSA-N 2 2 330.476 2.439 10 0 EEAELP CC[N@@H+](CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000416879027 313345897 /nfs/dbraw/zinc/34/58/97/313345897.db2.gz WUWLJVJBSWNTAT-CALCHBBNSA-N 2 2 330.476 2.439 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NCC3=CC[NH2+]CC3)CC2)s1 ZINC000418537490 313840122 /nfs/dbraw/zinc/84/01/22/313840122.db2.gz JHBFFJSOSGXIAI-UHFFFAOYSA-N 2 2 348.516 2.057 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000418559079 313846711 /nfs/dbraw/zinc/84/67/11/313846711.db2.gz QPKAXLFESJXZGG-HNTCUJBNSA-N 2 2 342.487 2.025 10 0 EEAELP COc1cc(C)[nH+]c(CNc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000421343839 314088317 /nfs/dbraw/zinc/08/83/17/314088317.db2.gz ZZWUJSKBXLKXPU-UHFFFAOYSA-N 2 2 327.432 2.158 10 0 EEAELP O=C(NCc1ccc(N2CCCCC2)[nH+]c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000521839666 316933343 /nfs/dbraw/zinc/93/33/43/316933343.db2.gz ZUEGTTIZDAVFDZ-CALCHBBNSA-N 2 2 343.475 2.108 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000527006165 317139803 /nfs/dbraw/zinc/13/98/03/317139803.db2.gz JIJRJZQLEKMOQB-HNNXBMFYSA-N 2 2 330.476 2.406 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)[C@H]2CCc3[nH]c(C(C)C)[nH+]c3C2)CC1 ZINC000527006165 317139805 /nfs/dbraw/zinc/13/98/05/317139805.db2.gz JIJRJZQLEKMOQB-HNNXBMFYSA-N 2 2 330.476 2.406 10 0 EEAELP CCc1ccc([C@@H](C[NH+]2CCOCC2)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530216098 317700721 /nfs/dbraw/zinc/70/07/21/317700721.db2.gz MNJVHDWZYXOACU-UXHICEINSA-N 2 2 343.515 2.497 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566243183 319264336 /nfs/dbraw/zinc/26/43/36/319264336.db2.gz ZZEFHGIIIPKYMC-HNAYVOBHSA-N 2 2 331.460 2.406 10 0 EEAELP COc1ccc(C)cc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000566243183 319264337 /nfs/dbraw/zinc/26/43/37/319264337.db2.gz ZZEFHGIIIPKYMC-HNAYVOBHSA-N 2 2 331.460 2.406 10 0 EEAELP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1cn3cc(Cl)ccc3[nH+]1)CC2 ZINC000566320677 319274494 /nfs/dbraw/zinc/27/44/94/319274494.db2.gz UPWIQDXQVONOSA-LBPRGKRZSA-N 2 2 343.818 2.371 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000566416797 319284174 /nfs/dbraw/zinc/28/41/74/319284174.db2.gz OYHDMSYJXJKWDF-FZMZJTMJSA-N 2 2 343.265 2.175 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000566416797 319284176 /nfs/dbraw/zinc/28/41/76/319284176.db2.gz OYHDMSYJXJKWDF-FZMZJTMJSA-N 2 2 343.265 2.175 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574917102 320070903 /nfs/dbraw/zinc/07/09/03/320070903.db2.gz RMYWRWBMWCHAKU-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574917102 320070905 /nfs/dbraw/zinc/07/09/05/320070905.db2.gz RMYWRWBMWCHAKU-FQEVSTJZSA-N 2 2 329.488 2.499 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000580780972 324128281 /nfs/dbraw/zinc/12/82/81/324128281.db2.gz MIQLKHDUDARPSV-OCCSQVGLSA-N 2 2 331.794 2.186 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000580780972 324128283 /nfs/dbraw/zinc/12/82/83/324128283.db2.gz MIQLKHDUDARPSV-OCCSQVGLSA-N 2 2 331.794 2.186 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2([NH3+])CCC2)c(C)c1 ZINC000582476024 324460247 /nfs/dbraw/zinc/46/02/47/324460247.db2.gz GAFQJWMPCDTPLT-QGZVFWFLSA-N 2 2 341.459 2.422 10 0 EEAELP C[C@](C[NH3+])(NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C1CC1 ZINC000583552437 324685505 /nfs/dbraw/zinc/68/55/05/324685505.db2.gz BIIXAKRZUCSNAR-MRXNPFEDSA-N 2 2 337.493 2.378 10 0 EEAELP CCN(CCOC)c1cccc(CN2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000351292282 465110238 /nfs/dbraw/zinc/11/02/38/465110238.db2.gz UMQKYVFXGWFEQG-UHFFFAOYSA-N 2 2 332.492 2.082 10 0 EEAELP C[C@@H]1CCCN(c2cc(NCC3([NH+](C)C)CCOCC3)nc[nH+]2)C1 ZINC000113925381 462616519 /nfs/dbraw/zinc/61/65/19/462616519.db2.gz FFNAVHOWCZPQLB-OAHLLOKOSA-N 2 2 333.480 2.236 10 0 EEAELP CC(C)C[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000128492305 462645071 /nfs/dbraw/zinc/64/50/71/462645071.db2.gz XNDGIECOFXUNIX-HRBLRVMOSA-N 2 2 336.524 2.373 10 0 EEAELP CC(C)C[C@@H](C)NC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000128492305 462645077 /nfs/dbraw/zinc/64/50/77/462645077.db2.gz XNDGIECOFXUNIX-HRBLRVMOSA-N 2 2 336.524 2.373 10 0 EEAELP Cc1cnc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000129010592 462685254 /nfs/dbraw/zinc/68/52/54/462685254.db2.gz GOEINWYLUXWGBI-YIONKMFJSA-N 2 2 349.504 2.226 10 0 EEAELP Cc1cnc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000129010592 462685258 /nfs/dbraw/zinc/68/52/58/462685258.db2.gz GOEINWYLUXWGBI-YIONKMFJSA-N 2 2 349.504 2.226 10 0 EEAELP Nc1nc(-n2cccn2)cc(N2CCC[C@H]([NH+]3CCCCCC3)C2)[nH+]1 ZINC000091482420 462883467 /nfs/dbraw/zinc/88/34/67/462883467.db2.gz IWMYXSDKPWLOPJ-HNNXBMFYSA-N 2 2 341.463 2.089 10 0 EEAELP CN(C)c1cc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc[nH+]1 ZINC000048290162 462889462 /nfs/dbraw/zinc/88/94/62/462889462.db2.gz ZFPLIZVHAJHESC-AWEZNQCLSA-N 2 2 347.488 2.311 10 0 EEAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000052523235 463086148 /nfs/dbraw/zinc/08/61/48/463086148.db2.gz CUXYKDGTVKRKEF-QGZVFWFLSA-N 2 2 345.491 2.355 10 0 EEAELP CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C1 ZINC000052523235 463086155 /nfs/dbraw/zinc/08/61/55/463086155.db2.gz CUXYKDGTVKRKEF-QGZVFWFLSA-N 2 2 345.491 2.355 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000052589848 463093748 /nfs/dbraw/zinc/09/37/48/463093748.db2.gz HISVXDBLYAVTAT-NTPDMAOXSA-N 2 2 342.487 2.121 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000052589848 463093755 /nfs/dbraw/zinc/09/37/55/463093755.db2.gz HISVXDBLYAVTAT-NTPDMAOXSA-N 2 2 342.487 2.121 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000080704688 463348914 /nfs/dbraw/zinc/34/89/14/463348914.db2.gz WGTGXRJOOJZKJS-KRWDZBQOSA-N 2 2 347.507 2.412 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000080704688 463348920 /nfs/dbraw/zinc/34/89/20/463348920.db2.gz WGTGXRJOOJZKJS-KRWDZBQOSA-N 2 2 347.507 2.412 10 0 EEAELP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1 ZINC000081043287 463385602 /nfs/dbraw/zinc/38/56/02/463385602.db2.gz HBAMLLYBLNWRBR-IBGZPJMESA-N 2 2 345.487 2.075 10 0 EEAELP C[N@H+](CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000071856641 463441611 /nfs/dbraw/zinc/44/16/11/463441611.db2.gz LXMLKKYVVLRSFK-UHFFFAOYSA-N 2 2 345.491 2.224 10 0 EEAELP C[N@@H+](CCNC(=O)NC1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000071856641 463441616 /nfs/dbraw/zinc/44/16/16/463441616.db2.gz LXMLKKYVVLRSFK-UHFFFAOYSA-N 2 2 345.491 2.224 10 0 EEAELP Cc1noc([C@H](C)N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000162973428 463554161 /nfs/dbraw/zinc/55/41/61/463554161.db2.gz KSXCQGCVOLQWQQ-AWEZNQCLSA-N 2 2 332.452 2.042 10 0 EEAELP O=C(NCc1cn2ccccc2[nH+]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000043477336 463641980 /nfs/dbraw/zinc/64/19/80/463641980.db2.gz LUKCSFWJAHTHIJ-UHFFFAOYSA-N 2 2 341.459 2.352 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268478973 463760229 /nfs/dbraw/zinc/76/02/29/463760229.db2.gz ILJUONAYYHVWGC-FUHWJXTLSA-N 2 2 341.459 2.188 10 0 EEAELP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268478973 463760233 /nfs/dbraw/zinc/76/02/33/463760233.db2.gz ILJUONAYYHVWGC-FUHWJXTLSA-N 2 2 341.459 2.188 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268835317 463792332 /nfs/dbraw/zinc/79/23/32/463792332.db2.gz LNQHWVAZKCJDMJ-NRSPTQNISA-N 3 2 345.531 2.476 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000194940692 463963028 /nfs/dbraw/zinc/96/30/28/463963028.db2.gz OQRGHTZPTGIPJI-UHFFFAOYSA-N 2 2 333.480 2.069 10 0 EEAELP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cc[nH+]c2)CCO1 ZINC000287714762 463978491 /nfs/dbraw/zinc/97/84/91/463978491.db2.gz OHEHBJZFWZYNOT-QWHCGFSZSA-N 2 2 326.322 2.467 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)Nc3nccs3)C2)[nH+]1 ZINC000195516237 464064372 /nfs/dbraw/zinc/06/43/72/464064372.db2.gz ZJJGRNILCQWORN-CYBMUJFWSA-N 2 2 331.445 2.219 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)Nc3nccs3)C2)[nH+]1 ZINC000195516237 464064377 /nfs/dbraw/zinc/06/43/77/464064377.db2.gz ZJJGRNILCQWORN-CYBMUJFWSA-N 2 2 331.445 2.219 10 0 EEAELP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269743796 464078434 /nfs/dbraw/zinc/07/84/34/464078434.db2.gz XUXVQOBTVZKHGE-QGZVFWFLSA-N 2 2 339.443 2.291 10 0 EEAELP O=C(NCc1cccnc1-n1cc[nH+]c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000269743796 464078441 /nfs/dbraw/zinc/07/84/41/464078441.db2.gz XUXVQOBTVZKHGE-QGZVFWFLSA-N 2 2 339.443 2.291 10 0 EEAELP COc1ccc(CNC(=O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000263691098 464156035 /nfs/dbraw/zinc/15/60/35/464156035.db2.gz JTCFSJVTAJXMLI-UHFFFAOYSA-N 2 2 333.476 2.116 10 0 EEAELP COc1ccc(CNC(=O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000263691098 464156041 /nfs/dbraw/zinc/15/60/41/464156041.db2.gz JTCFSJVTAJXMLI-UHFFFAOYSA-N 2 2 333.476 2.116 10 0 EEAELP C[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452846 464264089 /nfs/dbraw/zinc/26/40/89/464264089.db2.gz NNRNGLWDLSTQBE-MAUKXSAKSA-N 2 2 339.443 2.423 10 0 EEAELP C[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173452846 464264094 /nfs/dbraw/zinc/26/40/94/464264094.db2.gz NNRNGLWDLSTQBE-MAUKXSAKSA-N 2 2 339.443 2.423 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccs1 ZINC000175599899 464583769 /nfs/dbraw/zinc/58/37/69/464583769.db2.gz OAZRVEJOTWKEEQ-HUUCEWRRSA-N 2 2 347.488 2.422 10 0 EEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000247396760 464675605 /nfs/dbraw/zinc/67/56/05/464675605.db2.gz PBSHGXFOTWWXHL-RDJZCZTQSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000247396760 464675609 /nfs/dbraw/zinc/67/56/09/464675609.db2.gz PBSHGXFOTWWXHL-RDJZCZTQSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248652873 464780648 /nfs/dbraw/zinc/78/06/48/464780648.db2.gz OFUBTYOTVIDZNC-WMZOPIPTSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248652873 464780654 /nfs/dbraw/zinc/78/06/54/464780654.db2.gz OFUBTYOTVIDZNC-WMZOPIPTSA-N 2 2 344.503 2.283 10 0 EEAELP C[C@@H](C(=O)NC1CCCC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248652873 464780658 /nfs/dbraw/zinc/78/06/58/464780658.db2.gz OFUBTYOTVIDZNC-WMZOPIPTSA-N 2 2 344.503 2.283 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H]4CCCC[C@@H]4C3)CC2)CC1 ZINC000176479892 464783396 /nfs/dbraw/zinc/78/33/96/464783396.db2.gz MQGCEXSMHJMOJJ-IAGOWNOFSA-N 2 2 348.535 2.377 10 0 EEAELP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000249075432 464836612 /nfs/dbraw/zinc/83/66/12/464836612.db2.gz QYTKOTFYVOQRRA-AVGNSLFASA-N 2 2 325.403 2.029 10 0 EEAELP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000249075432 464836616 /nfs/dbraw/zinc/83/66/16/464836616.db2.gz QYTKOTFYVOQRRA-AVGNSLFASA-N 2 2 325.403 2.029 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000177312473 464983998 /nfs/dbraw/zinc/98/39/98/464983998.db2.gz GTAAJRCISCEQRY-INIZCTEOSA-N 2 2 343.475 2.470 10 0 EEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000177312473 464984004 /nfs/dbraw/zinc/98/40/04/464984004.db2.gz GTAAJRCISCEQRY-INIZCTEOSA-N 2 2 343.475 2.470 10 0 EEAELP CC(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177379133 464999015 /nfs/dbraw/zinc/99/90/15/464999015.db2.gz CPMAFACMWNDIMM-QGZVFWFLSA-N 2 2 333.480 2.178 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000177406848 465008047 /nfs/dbraw/zinc/00/80/47/465008047.db2.gz SNMYMUFSZCQDFG-QGZVFWFLSA-N 2 2 345.491 2.176 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000177406848 465008051 /nfs/dbraw/zinc/00/80/51/465008051.db2.gz SNMYMUFSZCQDFG-QGZVFWFLSA-N 2 2 345.491 2.176 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192879626 465012068 /nfs/dbraw/zinc/01/20/68/465012068.db2.gz ZJFUBEUXXSJNNW-SFHVURJKSA-N 2 2 331.460 2.471 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192879626 465012071 /nfs/dbraw/zinc/01/20/71/465012071.db2.gz ZJFUBEUXXSJNNW-SFHVURJKSA-N 2 2 331.460 2.471 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348646063 465726895 /nfs/dbraw/zinc/72/68/95/465726895.db2.gz RULSYTBEVBOWPN-LSTHTHJFSA-N 2 2 325.456 2.268 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348646063 465726901 /nfs/dbraw/zinc/72/69/01/465726901.db2.gz RULSYTBEVBOWPN-LSTHTHJFSA-N 2 2 325.456 2.268 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2cn(C)nc2C(F)F)CC1 ZINC000361136941 465791518 /nfs/dbraw/zinc/79/15/18/465791518.db2.gz UDLVPKIQIQSVNG-UHFFFAOYSA-N 2 2 337.374 2.084 10 0 EEAELP C[C@@H]1CC[C@]2(CCN(C(=O)NCC[NH+]3CCC([NH+](C)C)CC3)C2)C1 ZINC000371596157 465894049 /nfs/dbraw/zinc/89/40/49/465894049.db2.gz KAIBCYJSTULDED-APWZRJJASA-N 2 2 336.524 2.234 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)CC(C)C ZINC000358004271 466381024 /nfs/dbraw/zinc/38/10/24/466381024.db2.gz OQUBRSBVEKFRNU-HUUCEWRRSA-N 2 2 335.496 2.323 10 0 EEAELP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)CC(C)C ZINC000358004271 466381027 /nfs/dbraw/zinc/38/10/27/466381027.db2.gz OQUBRSBVEKFRNU-HUUCEWRRSA-N 2 2 335.496 2.323 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)[C@H](C)C1 ZINC000332686415 466552369 /nfs/dbraw/zinc/55/23/69/466552369.db2.gz NUZWAPSQWXYFJW-OIISXLGYSA-N 2 2 347.507 2.441 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)[C@H](C)C1 ZINC000332686415 466552372 /nfs/dbraw/zinc/55/23/72/466552372.db2.gz NUZWAPSQWXYFJW-OIISXLGYSA-N 2 2 347.507 2.441 10 0 EEAELP COc1ccc2c(c1)C[C@@H](Nc1ccc(N3CC[NH2+]CC3)c[nH+]1)CC2 ZINC000423223781 466699609 /nfs/dbraw/zinc/69/96/09/466699609.db2.gz ANFWZIMDRCFKAX-KRWDZBQOSA-N 2 2 338.455 2.469 10 0 EEAELP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374794365 466745537 /nfs/dbraw/zinc/74/55/37/466745537.db2.gz AEQVGJKJNYSEMQ-DOTOQJQBSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374794365 466745541 /nfs/dbraw/zinc/74/55/41/466745541.db2.gz AEQVGJKJNYSEMQ-DOTOQJQBSA-N 2 2 325.403 2.166 10 0 EEAELP CN(C(=O)c1nc(Cl)cs1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365315351 466776961 /nfs/dbraw/zinc/77/69/61/466776961.db2.gz OLDCBBGZCKVNMU-LBPRGKRZSA-N 2 2 342.896 2.037 10 0 EEAELP CN(C(=O)c1nc(Cl)cs1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365315351 466776965 /nfs/dbraw/zinc/77/69/65/466776965.db2.gz OLDCBBGZCKVNMU-LBPRGKRZSA-N 2 2 342.896 2.037 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)C2)CC1 ZINC000373527389 466834271 /nfs/dbraw/zinc/83/42/71/466834271.db2.gz HGKKZHLRVCWNBF-LBPRGKRZSA-N 2 2 335.414 2.250 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CC(C)(C)C(F)(F)F)C2)CC1 ZINC000373527389 466834274 /nfs/dbraw/zinc/83/42/74/466834274.db2.gz HGKKZHLRVCWNBF-LBPRGKRZSA-N 2 2 335.414 2.250 10 0 EEAELP Cc1nccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)n1 ZINC000370687197 466965862 /nfs/dbraw/zinc/96/58/62/466965862.db2.gz BSDLQQIMYXWGDK-UHFFFAOYSA-N 2 2 325.460 2.319 10 0 EEAELP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccnc2-n2cc[nH+]c2)c1 ZINC000377083501 467021305 /nfs/dbraw/zinc/02/13/05/467021305.db2.gz NSEQQLMWVPVWDZ-GFCCVEGCSA-N 2 2 326.356 2.498 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374199396 467031766 /nfs/dbraw/zinc/03/17/66/467031766.db2.gz HWPUMNSLFSCIQP-UHFFFAOYSA-N 2 2 341.415 2.186 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000371040982 467077858 /nfs/dbraw/zinc/07/78/58/467077858.db2.gz BZRMEXKHIGDQEW-MRXNPFEDSA-N 2 2 333.480 2.041 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)cn21 ZINC000377932790 467167601 /nfs/dbraw/zinc/16/76/01/467167601.db2.gz OGXDLPUMBUPHCP-SFHVURJKSA-N 2 2 332.423 2.471 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)cn21 ZINC000377932790 467167603 /nfs/dbraw/zinc/16/76/03/467167603.db2.gz OGXDLPUMBUPHCP-SFHVURJKSA-N 2 2 332.423 2.471 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000429015938 467291362 /nfs/dbraw/zinc/29/13/62/467291362.db2.gz AZZOZWJINNWOSE-FQEVSTJZSA-N 2 2 345.487 2.118 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000429015938 467291366 /nfs/dbraw/zinc/29/13/66/467291366.db2.gz AZZOZWJINNWOSE-FQEVSTJZSA-N 2 2 345.487 2.118 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000429015938 467291371 /nfs/dbraw/zinc/29/13/71/467291371.db2.gz AZZOZWJINNWOSE-FQEVSTJZSA-N 2 2 345.487 2.118 10 0 EEAELP CC(C)Oc1cccc(CNC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000429015938 467291374 /nfs/dbraw/zinc/29/13/74/467291374.db2.gz AZZOZWJINNWOSE-FQEVSTJZSA-N 2 2 345.487 2.118 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000420351272 467374057 /nfs/dbraw/zinc/37/40/57/467374057.db2.gz JOIOGUVZAXJVLD-JQWIXIFHSA-N 2 2 326.238 2.199 10 0 EEAELP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000420351272 467374059 /nfs/dbraw/zinc/37/40/59/467374059.db2.gz JOIOGUVZAXJVLD-JQWIXIFHSA-N 2 2 326.238 2.199 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420357625 467376098 /nfs/dbraw/zinc/37/60/98/467376098.db2.gz DSGYMCPIFBLBSL-NRFANRHFSA-N 2 2 343.515 2.346 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000420357625 467376103 /nfs/dbraw/zinc/37/61/03/467376103.db2.gz DSGYMCPIFBLBSL-NRFANRHFSA-N 2 2 343.515 2.346 10 0 EEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420400251 467394725 /nfs/dbraw/zinc/39/47/25/467394725.db2.gz OOABBPKXRIRJNG-CABCVRRESA-N 2 2 347.459 2.065 10 0 EEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420400251 467394729 /nfs/dbraw/zinc/39/47/29/467394729.db2.gz OOABBPKXRIRJNG-CABCVRRESA-N 2 2 347.459 2.065 10 0 EEAELP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1Cc1noc(C[NH3+])n1 ZINC000404340724 467474532 /nfs/dbraw/zinc/47/45/32/467474532.db2.gz SNDMDKWDJQZFTB-ZNMIVQPWSA-N 2 2 329.448 2.012 10 0 EEAELP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1Cc1noc(C[NH3+])n1 ZINC000404340724 467474536 /nfs/dbraw/zinc/47/45/36/467474536.db2.gz SNDMDKWDJQZFTB-ZNMIVQPWSA-N 2 2 329.448 2.012 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000454315842 467584000 /nfs/dbraw/zinc/58/40/00/467584000.db2.gz HCOGWWXQHHCOPJ-HZPDHXFCSA-N 2 2 335.496 2.460 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000449391073 467636391 /nfs/dbraw/zinc/63/63/91/467636391.db2.gz HPOVBTWHWGQPDI-UXHICEINSA-N 2 2 331.504 2.087 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000449391073 467636392 /nfs/dbraw/zinc/63/63/92/467636392.db2.gz HPOVBTWHWGQPDI-UXHICEINSA-N 2 2 331.504 2.087 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000449392158 467637401 /nfs/dbraw/zinc/63/74/01/467637401.db2.gz JFTHBHGJXVVKJR-LBPRGKRZSA-N 2 2 333.295 2.447 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1csc(Br)c1 ZINC000449392158 467637405 /nfs/dbraw/zinc/63/74/05/467637405.db2.gz JFTHBHGJXVVKJR-LBPRGKRZSA-N 2 2 333.295 2.447 10 0 EEAELP O[C@H](C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC1(O)CCC1 ZINC000528492364 467686398 /nfs/dbraw/zinc/68/63/98/467686398.db2.gz KZIXNPUGZZSOMR-RDJZCZTQSA-N 2 2 333.476 2.065 10 0 EEAELP O[C@H](C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)CC1(O)CCC1 ZINC000528492364 467686400 /nfs/dbraw/zinc/68/64/00/467686400.db2.gz KZIXNPUGZZSOMR-RDJZCZTQSA-N 2 2 333.476 2.065 10 0 EEAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000458370012 467817228 /nfs/dbraw/zinc/81/72/28/467817228.db2.gz FYHIZHHQVVLUPF-OAHLLOKOSA-N 2 2 335.496 2.162 10 0 EEAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000458370012 467817231 /nfs/dbraw/zinc/81/72/31/467817231.db2.gz FYHIZHHQVVLUPF-OAHLLOKOSA-N 2 2 335.496 2.162 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC[N@@H+](C)C2)c(C)c1 ZINC000533084955 468167831 /nfs/dbraw/zinc/16/78/31/468167831.db2.gz FYYDCLOETCPKAA-FUHWJXTLSA-N 2 2 326.444 2.309 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC000533084955 468167832 /nfs/dbraw/zinc/16/78/32/468167832.db2.gz FYYDCLOETCPKAA-FUHWJXTLSA-N 2 2 326.444 2.309 10 0 EEAELP COc1ccc([C@H](N[C@H]2CCc3[nH]c[nH+]c3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000567639727 468175907 /nfs/dbraw/zinc/17/59/07/468175907.db2.gz QKDHTCXCYIKZRI-FNHZYXHNSA-N 2 2 326.444 2.359 10 0 EEAELP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000519699800 468195638 /nfs/dbraw/zinc/19/56/38/468195638.db2.gz MXLAIDMDLPQFNW-QWHCGFSZSA-N 2 2 335.835 2.258 10 0 EEAELP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000519699800 468195643 /nfs/dbraw/zinc/19/56/43/468195643.db2.gz MXLAIDMDLPQFNW-QWHCGFSZSA-N 2 2 335.835 2.258 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000568044054 468264397 /nfs/dbraw/zinc/26/43/97/468264397.db2.gz QDBQGKJZQMBUBW-IAGOWNOFSA-N 2 2 347.507 2.259 10 0 EEAELP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000568044054 468264403 /nfs/dbraw/zinc/26/44/03/468264403.db2.gz QDBQGKJZQMBUBW-IAGOWNOFSA-N 2 2 347.507 2.259 10 0 EEAELP Cc1nc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000582664647 468574846 /nfs/dbraw/zinc/57/48/46/468574846.db2.gz LHPACGOKVFUVRX-QGZVFWFLSA-N 2 2 325.460 2.442 10 0 EEAELP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n[nH]1 ZINC000582664647 468574850 /nfs/dbraw/zinc/57/48/50/468574850.db2.gz LHPACGOKVFUVRX-QGZVFWFLSA-N 2 2 325.460 2.442 10 0 EEAELP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000582664647 468574851 /nfs/dbraw/zinc/57/48/51/468574851.db2.gz LHPACGOKVFUVRX-QGZVFWFLSA-N 2 2 325.460 2.442 10 0 EEAELP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000582664647 468574855 /nfs/dbraw/zinc/57/48/55/468574855.db2.gz LHPACGOKVFUVRX-QGZVFWFLSA-N 2 2 325.460 2.442 10 0 EEAELP COC(=O)c1cnc(C2CC[NH+](C[C@@H]([NH3+])CC(C)C)CC2)s1 ZINC000600771745 468653567 /nfs/dbraw/zinc/65/35/67/468653567.db2.gz AUWLSCDYNWOTQJ-ZDUSSCGKSA-N 2 2 325.478 2.483 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)CCC(=O)N2 ZINC000560349205 468787602 /nfs/dbraw/zinc/78/76/02/468787602.db2.gz AXMCZMIXSVOBHW-WMLDXEAASA-N 2 2 331.460 2.069 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)CCC(=O)N2 ZINC000560349205 468787604 /nfs/dbraw/zinc/78/76/04/468787604.db2.gz AXMCZMIXSVOBHW-WMLDXEAASA-N 2 2 331.460 2.069 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375309 469697406 /nfs/dbraw/zinc/69/74/06/469697406.db2.gz AUTNHFHDGNNOEH-RRFJBIMHSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375309 469697410 /nfs/dbraw/zinc/69/74/10/469697410.db2.gz AUTNHFHDGNNOEH-RRFJBIMHSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000613375309 469697415 /nfs/dbraw/zinc/69/74/15/469697415.db2.gz AUTNHFHDGNNOEH-RRFJBIMHSA-N 2 2 330.476 2.284 10 0 EEAELP C[C@H](NC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000613375309 469697418 /nfs/dbraw/zinc/69/74/18/469697418.db2.gz AUTNHFHDGNNOEH-RRFJBIMHSA-N 2 2 330.476 2.284 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCC34CC4)C2)CC1 ZINC000623639443 469719655 /nfs/dbraw/zinc/71/96/55/469719655.db2.gz XJSWNUHVPMKDQC-HZPDHXFCSA-N 2 2 334.508 2.034 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CCCC34CC4)C2)CC1 ZINC000623639443 469719658 /nfs/dbraw/zinc/71/96/58/469719658.db2.gz XJSWNUHVPMKDQC-HZPDHXFCSA-N 2 2 334.508 2.034 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000617763124 469794691 /nfs/dbraw/zinc/79/46/91/469794691.db2.gz GAQZGUHLLFCGBV-GDBMZVCRSA-N 2 2 331.451 2.202 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C[C@]12CCCC[C@H]1C2(F)F ZINC000617763124 469794696 /nfs/dbraw/zinc/79/46/96/469794696.db2.gz GAQZGUHLLFCGBV-GDBMZVCRSA-N 2 2 331.451 2.202 10 0 EEAELP Cc1cc(OC(F)F)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617766462 469797112 /nfs/dbraw/zinc/79/71/12/469797112.db2.gz LGXJXXZRZXOZRV-UHFFFAOYSA-N 2 2 349.447 2.271 10 0 EEAELP Cc1cc(OC(F)F)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000617766462 469797118 /nfs/dbraw/zinc/79/71/18/469797118.db2.gz LGXJXXZRZXOZRV-UHFFFAOYSA-N 2 2 349.447 2.271 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnc(C(C)(C)C)s1 ZINC000617767234 469799219 /nfs/dbraw/zinc/79/92/19/469799219.db2.gz LSZGRYWBSDHRNV-UHFFFAOYSA-N 2 2 326.510 2.054 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnc(C(C)(C)C)s1 ZINC000617767234 469799223 /nfs/dbraw/zinc/79/92/23/469799223.db2.gz LSZGRYWBSDHRNV-UHFFFAOYSA-N 2 2 326.510 2.054 10 0 EEAELP Cc1c2cc(F)ccc2oc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768866 469799298 /nfs/dbraw/zinc/79/92/98/469799298.db2.gz XXEARAPQJXEULG-UHFFFAOYSA-N 2 2 335.423 2.494 10 0 EEAELP Cc1c2cc(F)ccc2oc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768866 469799301 /nfs/dbraw/zinc/79/93/01/469799301.db2.gz XXEARAPQJXEULG-UHFFFAOYSA-N 2 2 335.423 2.494 10 0 EEAELP C[C@H]1CC[C@@H](NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C[NH2+]1 ZINC000627047106 469801488 /nfs/dbraw/zinc/80/14/88/469801488.db2.gz ODASEMUTQIEFNR-QWHCGFSZSA-N 2 2 347.850 2.465 10 0 EEAELP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000631843820 470187442 /nfs/dbraw/zinc/18/74/42/470187442.db2.gz RXSOKCVEUHUUJS-NXEZZACHSA-N 2 2 347.793 2.407 10 0 EEAELP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000631843820 470187443 /nfs/dbraw/zinc/18/74/43/470187443.db2.gz RXSOKCVEUHUUJS-NXEZZACHSA-N 2 2 347.793 2.407 10 0 EEAELP OC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000634719895 470285989 /nfs/dbraw/zinc/28/59/89/470285989.db2.gz BBYYZFDESKIIJW-MSOLQXFVSA-N 2 2 332.469 2.008 10 0 EEAELP OC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000634719895 470285991 /nfs/dbraw/zinc/28/59/91/470285991.db2.gz BBYYZFDESKIIJW-MSOLQXFVSA-N 2 2 332.469 2.008 10 0 EEAELP C[N@@H+]1CCC[C@@H](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633417123 470458092 /nfs/dbraw/zinc/45/80/92/470458092.db2.gz MGKDEVLXWMFDRX-KRWDZBQOSA-N 2 2 326.444 2.263 10 0 EEAELP C[N@H+]1CCC[C@@H](CCNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000633417123 470458099 /nfs/dbraw/zinc/45/80/99/470458099.db2.gz MGKDEVLXWMFDRX-KRWDZBQOSA-N 2 2 326.444 2.263 10 0 EEAELP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3OC3CC3)CC2)C1 ZINC000649382125 470566536 /nfs/dbraw/zinc/56/65/36/470566536.db2.gz LYMQKZQUGMSQGK-SFHVURJKSA-N 2 2 329.488 2.440 10 0 EEAELP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3OC3CC3)CC2)C1 ZINC000649382125 470566540 /nfs/dbraw/zinc/56/65/40/470566540.db2.gz LYMQKZQUGMSQGK-SFHVURJKSA-N 2 2 329.488 2.440 10 0 EEAELP C[NH+]1CCC2(CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C2)CC1 ZINC000646245663 470577633 /nfs/dbraw/zinc/57/76/33/470577633.db2.gz DKOAGQJUQRIGAH-UHFFFAOYSA-N 2 2 338.455 2.489 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000644577866 470986266 /nfs/dbraw/zinc/98/62/66/470986266.db2.gz NCHAHOOYJBFXEA-NXEWRWPSSA-N 3 2 331.504 2.084 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000644577866 470986267 /nfs/dbraw/zinc/98/62/67/470986267.db2.gz NCHAHOOYJBFXEA-NXEWRWPSSA-N 3 2 331.504 2.084 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000644577866 470986270 /nfs/dbraw/zinc/98/62/70/470986270.db2.gz NCHAHOOYJBFXEA-NXEWRWPSSA-N 3 2 331.504 2.084 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000644577866 470986272 /nfs/dbraw/zinc/98/62/72/470986272.db2.gz NCHAHOOYJBFXEA-NXEWRWPSSA-N 3 2 331.504 2.084 10 0 EEAELP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)C1CCC(F)CC1 ZINC000658293860 471285590 /nfs/dbraw/zinc/28/55/90/471285590.db2.gz PEXLMZSGOGNOJJ-AOCRQIFASA-N 2 2 341.515 2.289 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)C1CCC(F)CC1 ZINC000658293860 471285593 /nfs/dbraw/zinc/28/55/93/471285593.db2.gz PEXLMZSGOGNOJJ-AOCRQIFASA-N 2 2 341.515 2.289 10 0 EEAELP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658649 471432288 /nfs/dbraw/zinc/43/22/88/471432288.db2.gz FRZUDAQLFBKRQZ-HOCLYGCPSA-N 2 2 347.425 2.205 10 0 EEAELP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658649 471432295 /nfs/dbraw/zinc/43/22/95/471432295.db2.gz FRZUDAQLFBKRQZ-HOCLYGCPSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658649 471432301 /nfs/dbraw/zinc/43/23/01/471432301.db2.gz FRZUDAQLFBKRQZ-HOCLYGCPSA-N 2 2 347.425 2.205 10 0 EEAELP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)C2 ZINC000660658649 471432306 /nfs/dbraw/zinc/43/23/06/471432306.db2.gz FRZUDAQLFBKRQZ-HOCLYGCPSA-N 2 2 347.425 2.205 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@]1(C)CC1(F)F ZINC000666620445 471467935 /nfs/dbraw/zinc/46/79/35/471467935.db2.gz SGDNJURYOIUVOZ-INIZCTEOSA-N 2 2 346.466 2.089 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC[C@@]1(C)CC1(F)F ZINC000666620445 471467941 /nfs/dbraw/zinc/46/79/41/471467941.db2.gz SGDNJURYOIUVOZ-INIZCTEOSA-N 2 2 346.466 2.089 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c2[nH+]ccn21 ZINC000659044533 471486973 /nfs/dbraw/zinc/48/69/73/471486973.db2.gz ROKMYJIMUSPTFK-UHOFOFEASA-N 2 2 341.415 2.372 10 0 EEAELP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803797 471489533 /nfs/dbraw/zinc/48/95/33/471489533.db2.gz YPLKADWAJFEXTI-OKZBNKHCSA-N 2 2 346.519 2.133 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000659327328 471582877 /nfs/dbraw/zinc/58/28/77/471582877.db2.gz BIAWKJSBQVCIPL-ZMMAXQRCSA-N 2 2 347.503 2.249 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000659327328 471582885 /nfs/dbraw/zinc/58/28/85/471582885.db2.gz BIAWKJSBQVCIPL-ZMMAXQRCSA-N 2 2 347.503 2.249 10 0 EEAELP CNc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)[nH+]c2ccccc21 ZINC000664007262 471605925 /nfs/dbraw/zinc/60/59/25/471605925.db2.gz AZKVTKOEEINKSA-UHFFFAOYSA-N 2 2 341.459 2.363 10 0 EEAELP CNc1nc(N2CCC([N@H+]3CCCOCC3)CC2)[nH+]c2ccccc21 ZINC000664007262 471605932 /nfs/dbraw/zinc/60/59/32/471605932.db2.gz AZKVTKOEEINKSA-UHFFFAOYSA-N 2 2 341.459 2.363 10 0 EEAELP C[NH+](C)CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000669757895 471607836 /nfs/dbraw/zinc/60/78/36/471607836.db2.gz LZRQXNRRSWHTOJ-HNNXBMFYSA-N 2 2 333.480 2.060 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667045848 471633835 /nfs/dbraw/zinc/63/38/35/471633835.db2.gz PZMDUNZJOGLOLO-OIISXLGYSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000667045848 471633841 /nfs/dbraw/zinc/63/38/41/471633841.db2.gz PZMDUNZJOGLOLO-OIISXLGYSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667045848 471633846 /nfs/dbraw/zinc/63/38/46/471633846.db2.gz PZMDUNZJOGLOLO-OIISXLGYSA-N 2 2 338.455 2.466 10 0 EEAELP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000667045848 471633850 /nfs/dbraw/zinc/63/38/50/471633850.db2.gz PZMDUNZJOGLOLO-OIISXLGYSA-N 2 2 338.455 2.466 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659460465 471638100 /nfs/dbraw/zinc/63/81/00/471638100.db2.gz WPZNOBZDJRNBNM-KRWDZBQOSA-N 2 2 347.507 2.460 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)cn2c1 ZINC000661400329 471743062 /nfs/dbraw/zinc/74/30/62/471743062.db2.gz VUKHWVTXOKEVPA-OAHLLOKOSA-N 2 2 329.448 2.315 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NC[C@H]3CC[N@H+]3C(C)(C)C)cn2c1 ZINC000661400329 471743065 /nfs/dbraw/zinc/74/30/65/471743065.db2.gz VUKHWVTXOKEVPA-OAHLLOKOSA-N 2 2 329.448 2.315 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cn(C)nc2C)cc1F ZINC000656790174 471841623 /nfs/dbraw/zinc/84/16/23/471841623.db2.gz NZRQHNFKDKIGER-RDJZCZTQSA-N 2 2 332.423 2.112 10 0 EEAELP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667810472 471915657 /nfs/dbraw/zinc/91/56/57/471915657.db2.gz MHXXLOHKUSUQCI-AZUAARDMSA-N 2 2 346.471 2.055 10 0 EEAELP C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1[nH+]ccn1C ZINC000662100408 471985952 /nfs/dbraw/zinc/98/59/52/471985952.db2.gz OFDNZEBWCHNVHW-DZKIICNBSA-N 2 2 331.464 2.139 10 0 EEAELP C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1[nH+]ccn1C ZINC000662100408 471985955 /nfs/dbraw/zinc/98/59/55/471985955.db2.gz OFDNZEBWCHNVHW-DZKIICNBSA-N 2 2 331.464 2.139 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320309 472069209 /nfs/dbraw/zinc/06/92/09/472069209.db2.gz STHZGWIVAQDLLF-AEFFLSMTSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662320309 472069213 /nfs/dbraw/zinc/06/92/13/472069213.db2.gz STHZGWIVAQDLLF-AEFFLSMTSA-N 2 2 345.487 2.007 10 0 EEAELP [NH3+][C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000662682753 472204542 /nfs/dbraw/zinc/20/45/42/472204542.db2.gz UCBUMIROHMCUDE-KRWDZBQOSA-N 2 2 346.381 2.145 10 0 EEAELP CCOc1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000668741360 472249460 /nfs/dbraw/zinc/24/94/60/472249460.db2.gz QNAZTEVKCBROBO-KRWDZBQOSA-N 2 2 334.460 2.125 10 0 EEAELP CCOc1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1OC ZINC000668741360 472249464 /nfs/dbraw/zinc/24/94/64/472249464.db2.gz QNAZTEVKCBROBO-KRWDZBQOSA-N 2 2 334.460 2.125 10 0 EEAELP [NH3+]C1(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC2(CCC2)C1 ZINC000662811517 472263506 /nfs/dbraw/zinc/26/35/06/472263506.db2.gz ZDBNNOWREUCBNU-UHFFFAOYSA-N 2 2 347.890 2.476 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000680088186 485885394 /nfs/dbraw/zinc/88/53/94/485885394.db2.gz CMQUAXFHPZCMJV-VQTJNVASSA-N 2 2 332.488 2.228 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000680088186 485885399 /nfs/dbraw/zinc/88/53/99/485885399.db2.gz CMQUAXFHPZCMJV-VQTJNVASSA-N 2 2 332.488 2.228 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)CC1 ZINC000671710247 485979834 /nfs/dbraw/zinc/97/98/34/485979834.db2.gz ZPODKUWONBFRRU-GJZGRUSLSA-N 2 2 337.430 2.054 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C(F)(F)F)OC[C@@H]2C)CC1 ZINC000671710247 485979841 /nfs/dbraw/zinc/97/98/41/485979841.db2.gz ZPODKUWONBFRRU-GJZGRUSLSA-N 2 2 337.430 2.054 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000675767977 486065031 /nfs/dbraw/zinc/06/50/31/486065031.db2.gz VEJRPNBMZDMLHL-CJNGLKHVSA-N 2 2 325.478 2.193 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000675767977 486065037 /nfs/dbraw/zinc/06/50/37/486065037.db2.gz VEJRPNBMZDMLHL-CJNGLKHVSA-N 2 2 325.478 2.193 10 0 EEAELP O=C(CC[N@@H+]1CCc2ccccc2C1)NCc1ccn2cc[nH+]c2c1 ZINC000416174942 534415267 /nfs/dbraw/zinc/41/52/67/534415267.db2.gz HHPKINVQKWOCNL-UHFFFAOYSA-N 2 2 334.423 2.399 10 0 EEAELP O=C(CC[N@H+]1CCc2ccccc2C1)NCc1ccn2cc[nH+]c2c1 ZINC000416174942 534415274 /nfs/dbraw/zinc/41/52/74/534415274.db2.gz HHPKINVQKWOCNL-UHFFFAOYSA-N 2 2 334.423 2.399 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000174774396 527753029 /nfs/dbraw/zinc/75/30/29/527753029.db2.gz YVAUTOULOCBNCM-CRAIPNDOSA-N 2 2 335.467 2.412 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000174774396 527753033 /nfs/dbraw/zinc/75/30/33/527753033.db2.gz YVAUTOULOCBNCM-CRAIPNDOSA-N 2 2 335.467 2.412 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000174774396 527753036 /nfs/dbraw/zinc/75/30/36/527753036.db2.gz YVAUTOULOCBNCM-CRAIPNDOSA-N 2 2 335.467 2.412 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCc2ccc(C)c(F)c2)[C@H](C)C1 ZINC000174774396 527753042 /nfs/dbraw/zinc/75/30/42/527753042.db2.gz YVAUTOULOCBNCM-CRAIPNDOSA-N 2 2 335.467 2.412 10 0 EEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000173954761 529303987 /nfs/dbraw/zinc/30/39/87/529303987.db2.gz KPFJEKCZUVUOFA-JKSUJKDBSA-N 2 2 331.464 2.152 10 0 EEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCNc1cccc[nH+]1 ZINC000173954761 529303990 /nfs/dbraw/zinc/30/39/90/529303990.db2.gz KPFJEKCZUVUOFA-JKSUJKDBSA-N 2 2 331.464 2.152 10 0 EEAELP Cc1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)ccc1OC(C)C ZINC000926045737 675859960 /nfs/dbraw/zinc/85/99/60/675859960.db2.gz MIEJLEYSCSWEEO-UHFFFAOYSA-N 2 2 334.464 2.327 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000195267939 685006425 /nfs/dbraw/zinc/00/64/25/685006425.db2.gz KMELOHCRHJUJOB-LSDHHAIUSA-N 2 2 337.489 2.158 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000195267939 685006426 /nfs/dbraw/zinc/00/64/26/685006426.db2.gz KMELOHCRHJUJOB-LSDHHAIUSA-N 2 2 337.489 2.158 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000195267939 685006427 /nfs/dbraw/zinc/00/64/27/685006427.db2.gz KMELOHCRHJUJOB-LSDHHAIUSA-N 2 2 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KNKLXHMLGKRHBD-UHFFFAOYSA-N 2 2 347.488 2.291 10 0 EEAELP Cc1cc(C[NH2+]C[C@@]2(C)CCN(C(=O)C[C@H](C)n3cc[nH+]c3)C2)no1 ZINC001484113223 1191213844 /nfs/dbraw/zinc/21/38/44/1191213844.db2.gz DVSYSWNKVQKQED-KBXCAEBGSA-N 2 2 345.447 2.159 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CCCC2CCCC2)CCOCC1 ZINC001484187856 1191264883 /nfs/dbraw/zinc/26/48/83/1191264883.db2.gz MBDCSHUJJRJNBO-UHFFFAOYSA-N 2 2 348.491 2.178 10 0 EEAELP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1C[N@H+](CCF)CCC1(F)F ZINC001484194956 1191267568 /nfs/dbraw/zinc/26/75/68/1191267568.db2.gz BYDDMSHTSSSQEU-OAHLLOKOSA-N 2 2 349.441 2.295 10 0 EEAELP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1C[N@@H+](CCF)CCC1(F)F ZINC001484194956 1191267569 /nfs/dbraw/zinc/26/75/69/1191267569.db2.gz BYDDMSHTSSSQEU-OAHLLOKOSA-N 2 2 349.441 2.295 10 0 EEAELP CC[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)c1ccccc1CC ZINC001484324670 1191305399 /nfs/dbraw/zinc/30/53/99/1191305399.db2.gz VRJAGLNDZQPQHF-FUHWJXTLSA-N 2 2 340.471 2.475 10 0 EEAELP 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1191570805 /nfs/dbraw/zinc/57/08/05/1191570805.db2.gz MXZMVDSKSDQVFH-BBRMVZONSA-N 2 2 347.488 2.065 10 0 EEAELP C[C@H](NC(=O)Cc1c[nH]c[nH+]1)[C@H](C)[NH2+]Cc1ccc(Cl)cc1F ZINC001485199301 1191682885 /nfs/dbraw/zinc/68/28/85/1191682885.db2.gz DFYKWLUDYCMYCY-QWRGUYRKSA-N 2 2 338.814 2.428 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC001485218250 1191690064 /nfs/dbraw/zinc/69/00/64/1191690064.db2.gz CMGUVQCJCGLOLL-CHWSQXEVSA-N 2 2 349.866 2.084 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001485372715 1191770368 /nfs/dbraw/zinc/77/03/68/1191770368.db2.gz BJZFWAIEDSJHLV-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[N@@H+](C)CC1CCC2(CC2)CC1 ZINC001485372715 1191770369 /nfs/dbraw/zinc/77/03/69/1191770369.db2.gz BJZFWAIEDSJHLV-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP Cc1ccccc1CCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001485395720 1191772687 /nfs/dbraw/zinc/77/26/87/1191772687.db2.gz PAIULUAUDFUPTF-KRWDZBQOSA-N 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ZINC001486180748 1193718197 /nfs/dbraw/zinc/71/81/97/1193718197.db2.gz PGAKVHUQVYNXIG-WMLDXEAASA-N 2 2 348.466 2.032 10 0 EEAELP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1Cc1cncc(F)c1 ZINC001486180748 1193718199 /nfs/dbraw/zinc/71/81/99/1193718199.db2.gz PGAKVHUQVYNXIG-WMLDXEAASA-N 2 2 348.466 2.032 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CC[NH+](Cc2cccnc2)CC1 ZINC001486446575 1193961422 /nfs/dbraw/zinc/96/14/22/1193961422.db2.gz QMPIPDCXOWFCPL-HNNXBMFYSA-N 2 2 341.459 2.154 10 0 EEAELP CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)n2c[nH+]c(C)c2)c(F)c1 ZINC001486523827 1194046862 /nfs/dbraw/zinc/04/68/62/1194046862.db2.gz FUHOGQSAHAHOOK-UHFFFAOYSA-N 2 2 332.423 2.492 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001273140702 1196774597 /nfs/dbraw/zinc/77/45/97/1196774597.db2.gz PFWFDNMEWOMLJB-ZYHUDNBSSA-N 2 2 347.290 2.329 10 0 EEAELP CC1(C)C[N@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001410038899 1197505182 /nfs/dbraw/zinc/50/51/82/1197505182.db2.gz OGXMDLRVLMBCJA-DLBZAZTESA-N 2 2 348.491 2.059 10 0 EEAELP CC1(C)C[N@@H+](CC[C@@H]2CCCCO2)C[C@H]1NC(=O)CCn1cc[nH+]c1 ZINC001410038899 1197505187 /nfs/dbraw/zinc/50/51/87/1197505187.db2.gz OGXMDLRVLMBCJA-DLBZAZTESA-N 2 2 348.491 2.059 10 0 EEAELP C[NH2+][C@@H](C)Cc1noc([C@H]([NH3+])c2cccc(Br)c2)n1 ZINC000871788161 1197904091 /nfs/dbraw/zinc/90/40/91/1197904091.db2.gz GJXDWMUOSVSYGI-QPUJVOFHSA-N 2 2 325.210 2.031 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001410543520 1198104111 /nfs/dbraw/zinc/10/41/11/1198104111.db2.gz RWUUIHQIFPSHTC-ZIAGYGMSSA-N 2 2 328.407 2.145 10 0 EEAELP CC1(C)CN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C[C@H]1[NH2+]C/C=C/Cl ZINC001410975732 1198653529 /nfs/dbraw/zinc/65/35/29/1198653529.db2.gz KZVJWXUENYQYBY-YYAKZPHOSA-N 2 2 336.867 2.025 10 0 EEAELP Cc1cncc(C[NH+]2CCC([C@H](C)NC(=O)Cc3[nH]cc[nH+]3)CC2)c1 ZINC001411238345 1198953929 /nfs/dbraw/zinc/95/39/29/1198953929.db2.gz POBXHPPKNJHMHV-HNNXBMFYSA-N 2 2 341.459 2.073 10 0 EEAELP CC(C)[C@H](C[NH2+][C@@H]1c2ccccc2OC[C@@H]1F)N1CC[NH+](C)CC1 ZINC000866227301 1201470857 /nfs/dbraw/zinc/47/08/57/1201470857.db2.gz SGRXBXWOBVDWAR-JENIJYKNSA-N 2 2 335.467 2.320 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(OC)c1 ZINC000866704768 1201585321 /nfs/dbraw/zinc/58/53/21/1201585321.db2.gz XVFIPCAPMLXDQL-IBGZPJMESA-N 2 2 349.475 2.339 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c(OC)c1 ZINC000866704768 1201585325 /nfs/dbraw/zinc/58/53/25/1201585325.db2.gz XVFIPCAPMLXDQL-IBGZPJMESA-N 2 2 349.475 2.339 10 0 EEAELP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866705073 1201585463 /nfs/dbraw/zinc/58/54/63/1201585463.db2.gz ZYTHRZVQJRFBRW-SFHVURJKSA-N 2 2 333.432 2.051 10 0 EEAELP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000866705073 1201585466 /nfs/dbraw/zinc/58/54/66/1201585466.db2.gz ZYTHRZVQJRFBRW-SFHVURJKSA-N 2 2 333.432 2.051 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000869104962 1201939604 /nfs/dbraw/zinc/93/96/04/1201939604.db2.gz CNBZRZUNHVIBTD-GOSISDBHSA-N 2 2 341.459 2.410 10 0 EEAELP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000869104962 1201939606 /nfs/dbraw/zinc/93/96/06/1201939606.db2.gz CNBZRZUNHVIBTD-GOSISDBHSA-N 2 2 341.459 2.410 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001274025300 1204331161 /nfs/dbraw/zinc/33/11/61/1204331161.db2.gz KIRZLUFLZRKZBM-LGZALOBFSA-N 2 2 334.464 2.179 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)o1 ZINC001274025300 1204331163 /nfs/dbraw/zinc/33/11/63/1204331163.db2.gz KIRZLUFLZRKZBM-LGZALOBFSA-N 2 2 334.464 2.179 10 0 EEAELP C[C@H](C[NH2+]CC[C@H]1CCCO1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001274863509 1205192167 /nfs/dbraw/zinc/19/21/67/1205192167.db2.gz BOPCOONHUOHJSK-CRAIPNDOSA-N 2 2 342.443 2.149 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1CC(C[NH2+]CC[C@@H]2CC2(Cl)Cl)C1 ZINC001275289465 1205300035 /nfs/dbraw/zinc/30/00/35/1205300035.db2.gz HBKWPBQGJBSHRB-MOENNCHZSA-N 2 2 345.274 2.021 10 0 EEAELP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC001412129642 1205652653 /nfs/dbraw/zinc/65/26/53/1205652653.db2.gz XWMBLENXMJSMBP-QFBILLFUSA-N 2 2 345.487 2.212 10 0 EEAELP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC001412129642 1205652655 /nfs/dbraw/zinc/65/26/55/1205652655.db2.gz XWMBLENXMJSMBP-QFBILLFUSA-N 2 2 345.487 2.212 10 0 EEAELP CN(CCC[NH2+][C@H]1CCc2c1c(F)ccc2F)C(=O)Cc1[nH]cc[nH+]1 ZINC001276296949 1205872691 /nfs/dbraw/zinc/87/26/91/1205872691.db2.gz GLUDVXHJWVTLPD-HNNXBMFYSA-N 2 2 348.397 2.356 10 0 EEAELP COC1(OC)CC[C@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000925150352 1206076898 /nfs/dbraw/zinc/07/68/98/1206076898.db2.gz XJITUPYPWZBNAU-GOSISDBHSA-N 2 2 333.476 2.463 10 0 EEAELP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)N[C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925521868 1206122428 /nfs/dbraw/zinc/12/24/28/1206122428.db2.gz KQKJCGSLWXMLQK-NEWSRXKRSA-N 2 2 328.504 2.057 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)COc1cccc(C(F)(F)F)c1 ZINC000925568176 1206129698 /nfs/dbraw/zinc/12/96/98/1206129698.db2.gz MZTQHUZPDHOBIC-ZFWWWQNUSA-N 2 2 344.377 2.319 10 0 EEAELP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc(N2CCSCC2)n1 ZINC000925721899 1206146453 /nfs/dbraw/zinc/14/64/53/1206146453.db2.gz HTESQJRDFPYFOP-MRXNPFEDSA-N 2 2 332.517 2.399 10 0 EEAELP CC1(C)CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H]1[NH3+] ZINC000925915789 1206167619 /nfs/dbraw/zinc/16/76/19/1206167619.db2.gz OIXPYTBHAUWMJO-CYBMUJFWSA-N 2 2 337.493 2.330 10 0 EEAELP C[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982918 1206525243 /nfs/dbraw/zinc/52/52/43/1206525243.db2.gz RUAAQYSPRCVCOG-YSIASYRMSA-N 2 2 330.472 2.387 10 0 EEAELP C[N@@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982918 1206525244 /nfs/dbraw/zinc/52/52/44/1206525244.db2.gz RUAAQYSPRCVCOG-YSIASYRMSA-N 2 2 330.472 2.387 10 0 EEAELP O=C(CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1)OCc1ccccc1 ZINC000931286049 1206622125 /nfs/dbraw/zinc/62/21/25/1206622125.db2.gz HJXXWCQKTQZMQG-UHFFFAOYSA-N 2 2 346.471 2.307 10 0 EEAELP O=C(CC[NH+]1CCC([N@H+]2CCCOCC2)CC1)OCc1ccccc1 ZINC000931286049 1206622127 /nfs/dbraw/zinc/62/21/27/1206622127.db2.gz HJXXWCQKTQZMQG-UHFFFAOYSA-N 2 2 346.471 2.307 10 0 EEAELP c1ccc(OCCOCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931291418 1206622464 /nfs/dbraw/zinc/62/24/64/1206622464.db2.gz RHILFEQRPQSBQE-UHFFFAOYSA-N 2 2 348.487 2.269 10 0 EEAELP c1ccc(OCCOCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931291418 1206622465 /nfs/dbraw/zinc/62/24/65/1206622465.db2.gz RHILFEQRPQSBQE-UHFFFAOYSA-N 2 2 348.487 2.269 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)C[C@]2(C)C1 ZINC000931311677 1206623787 /nfs/dbraw/zinc/62/37/87/1206623787.db2.gz RUNOIZKHHMKUIZ-YTQUADARSA-N 2 2 329.444 2.285 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)C[C@]2(C)C1 ZINC000931311677 1206623788 /nfs/dbraw/zinc/62/37/88/1206623788.db2.gz RUNOIZKHHMKUIZ-YTQUADARSA-N 2 2 329.444 2.285 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C[C@]2(C)C1 ZINC000931311677 1206623789 /nfs/dbraw/zinc/62/37/89/1206623789.db2.gz RUNOIZKHHMKUIZ-YTQUADARSA-N 2 2 329.444 2.285 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+](C[C@H]3CN(c4ccccc4)C(=O)O3)C[C@]2(C)C1 ZINC000931311677 1206623790 /nfs/dbraw/zinc/62/37/90/1206623790.db2.gz RUNOIZKHHMKUIZ-YTQUADARSA-N 2 2 329.444 2.285 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncsc1C1CC1 ZINC000900692912 1234668182 /nfs/dbraw/zinc/66/81/82/1234668182.db2.gz LKQDZIIWNINZLK-UHFFFAOYSA-N 2 2 336.505 2.119 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncsc1C1CC1 ZINC000900692912 1234668186 /nfs/dbraw/zinc/66/81/86/1234668186.db2.gz LKQDZIIWNINZLK-UHFFFAOYSA-N 2 2 336.505 2.119 10 0 EEAELP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1(C)C ZINC001413196189 1234684979 /nfs/dbraw/zinc/68/49/79/1234684979.db2.gz WWLMTDLYEXBUPN-JKSUJKDBSA-N 2 2 328.416 2.036 10 0 EEAELP FC(F)[C@@H]1C[NH+](CCCCC[N@@H+]2CCO[C@H](C(F)F)C2)CCO1 ZINC000801559401 1235835598 /nfs/dbraw/zinc/83/55/98/1235835598.db2.gz IGIPSDHWXTYXSW-STQMWFEESA-N 2 2 342.377 2.089 10 0 EEAELP FC(F)[C@@H]1C[NH+](CCCCC[N@H+]2CCO[C@H](C(F)F)C2)CCO1 ZINC000801559401 1235835603 /nfs/dbraw/zinc/83/56/03/1235835603.db2.gz IGIPSDHWXTYXSW-STQMWFEESA-N 2 2 342.377 2.089 10 0 EEAELP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000903902777 1242409937 /nfs/dbraw/zinc/40/99/37/1242409937.db2.gz CBMMJJSBJPPVDS-GOEBONIOSA-N 2 2 329.448 2.491 10 0 EEAELP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)[C@@H](C)c1cccc(O)c1 ZINC000903902777 1242409946 /nfs/dbraw/zinc/40/99/46/1242409946.db2.gz CBMMJJSBJPPVDS-GOEBONIOSA-N 2 2 329.448 2.491 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c(OC)c1OC ZINC000903954526 1242693539 /nfs/dbraw/zinc/69/35/39/1242693539.db2.gz DKWYQQSCZLZJRU-LBPRGKRZSA-N 2 2 330.375 2.047 10 0 EEAELP CC(C)OCCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001491030102 1258588017 /nfs/dbraw/zinc/58/80/17/1258588017.db2.gz PAMGTIMAVSHWMX-GASCZTMLSA-N 2 2 330.432 2.228 10 0 EEAELP CCCc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C2)cs1 ZINC001491039727 1258595801 /nfs/dbraw/zinc/59/58/01/1258595801.db2.gz PZGAITWLJPEDTH-OKILXGFUSA-N 2 2 347.488 2.119 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001273458394 1278448876 /nfs/dbraw/zinc/44/88/76/1278448876.db2.gz VHPZMWISPAUSEN-IRXDYDNUSA-N 2 2 336.480 2.232 10 0 EEAELP CCOCCC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001273458394 1278448884 /nfs/dbraw/zinc/44/88/84/1278448884.db2.gz VHPZMWISPAUSEN-IRXDYDNUSA-N 2 2 336.480 2.232 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001267893707 1276787081 /nfs/dbraw/zinc/78/70/81/1276787081.db2.gz PHUFPNCBDAZTSB-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP CN(CCC[N@H+](C)Cc1ccnc(Cl)c1)C(=O)CCn1cc[nH+]c1 ZINC001273540943 1279561330 /nfs/dbraw/zinc/56/13/30/1279561330.db2.gz IREJLWCWYWDUDC-UHFFFAOYSA-N 2 2 349.866 2.302 10 0 EEAELP CN(CCC[N@@H+](C)Cc1ccnc(Cl)c1)C(=O)CCn1cc[nH+]c1 ZINC001273540943 1279561337 /nfs/dbraw/zinc/56/13/37/1279561337.db2.gz IREJLWCWYWDUDC-UHFFFAOYSA-N 2 2 349.866 2.302 10 0 EEAELP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001671089716 1284626112 /nfs/dbraw/zinc/62/61/12/1284626112.db2.gz AZOAVEGASKWBEI-LJQANCHMSA-N 2 2 332.492 2.467 10 0 EEAELP CCCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001671089716 1284626118 /nfs/dbraw/zinc/62/61/18/1284626118.db2.gz AZOAVEGASKWBEI-LJQANCHMSA-N 2 2 332.492 2.467 10 0 EEAELP C[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632643 1286220230 /nfs/dbraw/zinc/22/02/30/1286220230.db2.gz CJUUQXJLGWPPAA-IAGOWNOFSA-N 2 2 333.451 2.247 10 0 EEAELP C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632643 1286220234 /nfs/dbraw/zinc/22/02/34/1286220234.db2.gz CJUUQXJLGWPPAA-IAGOWNOFSA-N 2 2 333.451 2.247 10 0 EEAELP C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632643 1286220238 /nfs/dbraw/zinc/22/02/38/1286220238.db2.gz CJUUQXJLGWPPAA-IAGOWNOFSA-N 2 2 333.451 2.247 10 0 EEAELP C[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C(C)(C)C1 ZINC001413632643 1286220243 /nfs/dbraw/zinc/22/02/43/1286220243.db2.gz CJUUQXJLGWPPAA-IAGOWNOFSA-N 2 2 333.451 2.247 10 0 EEAELP COCCC[NH2+][C@H]1CCCCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001489233897 1290483888 /nfs/dbraw/zinc/48/38/88/1290483888.db2.gz ODFJLLYRXNBJLM-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP Cc1nc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)co1 ZINC001490207461 1290999943 /nfs/dbraw/zinc/99/99/43/1290999943.db2.gz FQXAOBLQRLHCGY-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+](C)CCCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)co1 ZINC001490207461 1290999952 /nfs/dbraw/zinc/99/99/52/1290999952.db2.gz FQXAOBLQRLHCGY-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)co1 ZINC001490207461 1290999953 /nfs/dbraw/zinc/99/99/53/1290999953.db2.gz FQXAOBLQRLHCGY-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)co1 ZINC001490207461 1290999957 /nfs/dbraw/zinc/99/99/57/1290999957.db2.gz FQXAOBLQRLHCGY-GOSISDBHSA-N 2 2 348.491 2.328 10 0 EEAELP CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000861349162 1295354781 /nfs/dbraw/zinc/35/47/81/1295354781.db2.gz IBEXLLQVWWZIHU-NLWGTHIKSA-N 2 2 346.471 2.303 10 0 EEAELP CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000861349162 1295354792 /nfs/dbraw/zinc/35/47/92/1295354792.db2.gz IBEXLLQVWWZIHU-NLWGTHIKSA-N 2 2 346.471 2.303 10 0 EEAELP CO[C@@H]1C[NH+](C)[C@@](C)(COC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000861349162 1295354804 /nfs/dbraw/zinc/35/48/04/1295354804.db2.gz IBEXLLQVWWZIHU-NLWGTHIKSA-N 2 2 346.471 2.303 10 0 EEAELP CO[C@@H]1C[NH+](C)[C@@](C)(COC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000861349162 1295354810 /nfs/dbraw/zinc/35/48/10/1295354810.db2.gz IBEXLLQVWWZIHU-NLWGTHIKSA-N 2 2 346.471 2.303 10 0 EEAELP Cc1cccc(CCC[NH2+]C[C@H]2C[C@H](NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001277092865 1301237324 /nfs/dbraw/zinc/23/73/24/1301237324.db2.gz POMFBZRCBLKILL-WGSAOQKQSA-N 2 2 340.471 2.309 10 0 EEAELP C[C@]1(C[NH2+]CC=C(Cl)Cl)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278504391 1310888388 /nfs/dbraw/zinc/88/83/88/1310888388.db2.gz LNCSRQSWVAAXPO-OAHLLOKOSA-N 2 2 345.274 2.490 10 0 EEAELP C[C@]1(C[NH2+]CC=C(Cl)Cl)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278504391 1310888391 /nfs/dbraw/zinc/88/83/91/1310888391.db2.gz LNCSRQSWVAAXPO-OAHLLOKOSA-N 2 2 345.274 2.490 10 0 EEAELP C[NH+](C)c1ccc(N2CCC(N[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000841081594 1315470281 /nfs/dbraw/zinc/47/02/81/1315470281.db2.gz TWKJTGYHSYTFDG-QGZVFWFLSA-N 2 2 338.446 2.308 10 0 EEAELP CC[NH+](CC)CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000843103498 1315842747 /nfs/dbraw/zinc/84/27/47/1315842747.db2.gz LXAXGWLIZOAQNX-CZUORRHYSA-N 2 2 332.847 2.195 10 0 EEAELP Cc1nc(CC[NH2+]C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)cs1 ZINC001279008352 1318979875 /nfs/dbraw/zinc/97/98/75/1318979875.db2.gz HGBDTMGODMRGRE-OAHLLOKOSA-N 2 2 349.504 2.080 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+]CCCc2ccsc2)C1 ZINC001263880253 1322545741 /nfs/dbraw/zinc/54/57/41/1322545741.db2.gz HZCCKYKKXUDVCW-WKILWMFISA-N 2 2 332.473 2.062 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]Cc1ccccn1 ZINC001264518239 1322722893 /nfs/dbraw/zinc/72/28/93/1322722893.db2.gz PPESFEZUGYBGLY-CRAIPNDOSA-N 2 2 341.459 2.154 10 0 EEAELP C[C@@H]1CC[C@H](C[N@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)O1 ZINC001265001166 1322847889 /nfs/dbraw/zinc/84/78/89/1322847889.db2.gz PTPHGYAKNFMFDP-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP C[C@@H]1CC[C@H](C[N@@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)O1 ZINC001265001166 1322847893 /nfs/dbraw/zinc/84/78/93/1322847893.db2.gz PTPHGYAKNFMFDP-UKRRQHHQSA-N 2 2 330.432 2.182 10 0 EEAELP CC[C@H](C)C[N@H+](C)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001265850755 1323424938 /nfs/dbraw/zinc/42/49/38/1323424938.db2.gz CHGIBYVJNKTMGG-WMLDXEAASA-N 2 2 335.496 2.274 10 0 EEAELP CC[C@H](C)C[N@@H+](C)CCCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001265850755 1323424942 /nfs/dbraw/zinc/42/49/42/1323424942.db2.gz CHGIBYVJNKTMGG-WMLDXEAASA-N 2 2 335.496 2.274 10 0 EEAELP CC[C@H](C)C[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001265850755 1323424949 /nfs/dbraw/zinc/42/49/49/1323424949.db2.gz CHGIBYVJNKTMGG-WMLDXEAASA-N 2 2 335.496 2.274 10 0 EEAELP CC[C@H](C)C[NH+](C)CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001265850755 1323424953 /nfs/dbraw/zinc/42/49/53/1323424953.db2.gz CHGIBYVJNKTMGG-WMLDXEAASA-N 2 2 335.496 2.274 10 0 EEAELP CC(C)c1cnc(C[N@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2C)o1 ZINC001265874832 1323446706 /nfs/dbraw/zinc/44/67/06/1323446706.db2.gz MNKLVJVQVZGZKF-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1cnc(C[N@@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2C)o1 ZINC001265874832 1323446710 /nfs/dbraw/zinc/44/67/10/1323446710.db2.gz MNKLVJVQVZGZKF-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+](C)CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)o1 ZINC001265874832 1323446716 /nfs/dbraw/zinc/44/67/16/1323446716.db2.gz MNKLVJVQVZGZKF-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP CC(C)c1cnc(C[NH+](C)CCCNC(=O)[C@@H]2CCCC[N@H+]2C)o1 ZINC001265874832 1323446718 /nfs/dbraw/zinc/44/67/18/1323446718.db2.gz MNKLVJVQVZGZKF-HNNXBMFYSA-N 2 2 336.480 2.220 10 0 EEAELP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](Cc2csc(C)n2)CC1 ZINC001279676303 1323976987 /nfs/dbraw/zinc/97/69/87/1323976987.db2.gz ZFHXFGYZHHGZBA-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CCC[N@@H+](C)CC(=O)NCC1=CC[NH+](Cc2csc(C)n2)CC1 ZINC001279676303 1323976993 /nfs/dbraw/zinc/97/69/93/1323976993.db2.gz ZFHXFGYZHHGZBA-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP CCC[NH+](C)CC(=O)NCC1=CC[N@H+](Cc2csc(C)n2)CC1 ZINC001279676303 1323976998 /nfs/dbraw/zinc/97/69/98/1323976998.db2.gz ZFHXFGYZHHGZBA-UHFFFAOYSA-N 2 2 336.505 2.042 10 0 EEAELP COCCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)[C@H]1C ZINC001283907845 1326314542 /nfs/dbraw/zinc/31/45/42/1326314542.db2.gz VSYPQTCVBJIXDX-JKSUJKDBSA-N 2 2 344.459 2.344 10 0 EEAELP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001284774339 1326707254 /nfs/dbraw/zinc/70/72/54/1326707254.db2.gz RXBCUVBCLVHUKY-PWCOQUBGSA-N 2 2 330.476 2.381 10 0 EEAELP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001284774580 1326707627 /nfs/dbraw/zinc/70/76/27/1326707627.db2.gz XDZRBKGKCBNUMS-IWODKKGMSA-N 2 2 330.476 2.381 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC001491888516 1330290711 /nfs/dbraw/zinc/29/07/11/1330290711.db2.gz GWJLMJFYUSRDQR-DLBZAZTESA-N 2 2 348.491 2.176 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001492441639 1331255776 /nfs/dbraw/zinc/25/57/76/1331255776.db2.gz MTYMDWSLJFXJPB-IAGOWNOFSA-N 2 2 347.507 2.159 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cn1 ZINC001492441639 1331255781 /nfs/dbraw/zinc/25/57/81/1331255781.db2.gz MTYMDWSLJFXJPB-IAGOWNOFSA-N 2 2 347.507 2.159 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001316855567 1331478820 /nfs/dbraw/zinc/47/88/20/1331478820.db2.gz YGURDLJTWKBXAY-OAHLLOKOSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001316855567 1331478821 /nfs/dbraw/zinc/47/88/21/1331478821.db2.gz YGURDLJTWKBXAY-OAHLLOKOSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1nccs1 ZINC001316855567 1331478822 /nfs/dbraw/zinc/47/88/22/1331478822.db2.gz YGURDLJTWKBXAY-OAHLLOKOSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC001316855567 1331478823 /nfs/dbraw/zinc/47/88/23/1331478823.db2.gz YGURDLJTWKBXAY-OAHLLOKOSA-N 2 2 338.521 2.344 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1cc(F)cc2F ZINC001316868514 1331795236 /nfs/dbraw/zinc/79/52/36/1331795236.db2.gz FTDXYQRQCIJZMY-QGZVFWFLSA-N 2 2 348.397 2.287 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)[C@@H]1CCc2c1cc(F)cc2F ZINC001316868514 1331795239 /nfs/dbraw/zinc/79/52/39/1331795239.db2.gz FTDXYQRQCIJZMY-QGZVFWFLSA-N 2 2 348.397 2.287 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@H+](C)Cc1ccccc1F ZINC001316849297 1331932818 /nfs/dbraw/zinc/93/28/18/1331932818.db2.gz JKFVGSFSXHPSJL-HZPDHXFCSA-N 2 2 344.434 2.301 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCCC[N@@H+](C)Cc1ccccc1F ZINC001316849297 1331932821 /nfs/dbraw/zinc/93/28/21/1331932821.db2.gz JKFVGSFSXHPSJL-HZPDHXFCSA-N 2 2 344.434 2.301 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1CCC([NH2+]CCOc2ccccc2)CC1 ZINC001317225892 1332143928 /nfs/dbraw/zinc/14/39/28/1332143928.db2.gz IDTVWNJUVQAJGK-UHFFFAOYSA-N 2 2 342.443 2.048 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCN(C)C(=O)CCc1[nH+]ccn1C ZINC001317613470 1332327294 /nfs/dbraw/zinc/32/72/94/1332327294.db2.gz KINBIQLTJMEBLH-UHFFFAOYSA-N 2 2 332.423 2.048 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C2CCC2)cc1)C(=O)Cn1cc[nH+]c1 ZINC001317666917 1332360349 /nfs/dbraw/zinc/36/03/49/1332360349.db2.gz JTGSFGSUNKXJLB-UHFFFAOYSA-N 2 2 326.444 2.399 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCCOC1)C(=O)c1c(C)cc(C)[nH+]c1C ZINC001320801904 1332956432 /nfs/dbraw/zinc/95/64/32/1332956432.db2.gz HOWQIEKXHFLPQG-QGZVFWFLSA-N 2 2 333.476 2.485 10 0 EEAELP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001322583510 1333288181 /nfs/dbraw/zinc/28/81/81/1333288181.db2.gz ZKFIGCQYMQGYNF-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP CC[C@@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1[NH2+]CCCF ZINC001323145499 1333396214 /nfs/dbraw/zinc/39/62/14/1333396214.db2.gz ZOJYKBGUDZEBOD-ZBFHGGJFSA-N 2 2 337.439 2.209 10 0 EEAELP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCOCC1CCC1)c1c[nH+]c[nH]1 ZINC001324260428 1333644793 /nfs/dbraw/zinc/64/47/93/1333644793.db2.gz JKNBCBDLZOOIOP-INIZCTEOSA-N 2 2 348.491 2.085 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC[C@@H]1C[NH2+]CCCc1ccccc1 ZINC001324262251 1333645135 /nfs/dbraw/zinc/64/51/35/1333645135.db2.gz WAHQLKCPLBBFPU-GOSISDBHSA-N 2 2 340.471 2.176 10 0 EEAELP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001325599253 1333921162 /nfs/dbraw/zinc/92/11/62/1333921162.db2.gz RGDLIZADZUJTSZ-AEFFLSMTSA-N 2 2 330.476 2.458 10 0 EEAELP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001325694512 1333942220 /nfs/dbraw/zinc/94/22/20/1333942220.db2.gz VKPOOTRELZGIPZ-KRWDZBQOSA-N 2 2 326.444 2.084 10 0 EEAELP O=C([C@H]1CCc2[nH+]ccn2C1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001326302909 1334063932 /nfs/dbraw/zinc/06/39/32/1334063932.db2.gz HYFXDNOAMHCBGK-SJORKVTESA-N 2 2 330.476 2.074 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC[C@H]2CCOC2)CC1 ZINC001326542616 1334113426 /nfs/dbraw/zinc/11/34/26/1334113426.db2.gz XKHVJBFFHFCOCM-ULQDDVLXSA-N 2 2 348.491 2.034 10 0 EEAELP CCOCCC[NH2+]C1(CNC(=O)c2ccn3c(C)c[nH+]c3c2)CCC1 ZINC001326821261 1334164529 /nfs/dbraw/zinc/16/45/29/1334164529.db2.gz BJZOLXZYZAYEJQ-UHFFFAOYSA-N 2 2 344.459 2.311 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cscn1 ZINC001328287917 1334438696 /nfs/dbraw/zinc/43/86/96/1334438696.db2.gz YOZQSGZCQHIQKO-CABCVRRESA-N 2 2 338.521 2.344 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@H+]1Cc1cscn1 ZINC001328287917 1334438698 /nfs/dbraw/zinc/43/86/98/1334438698.db2.gz YOZQSGZCQHIQKO-CABCVRRESA-N 2 2 338.521 2.344 10 0 EEAELP CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001331297431 1334992949 /nfs/dbraw/zinc/99/29/49/1334992949.db2.gz RIXKBBJJVNRSTR-SJORKVTESA-N 2 2 330.476 2.072 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001331476766 1335020668 /nfs/dbraw/zinc/02/06/68/1335020668.db2.gz XQELIKKMWNGFFK-MRVWCRGKSA-N 2 2 347.850 2.198 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H](C[NH2+]CCC(F)(F)F)C1 ZINC001332295713 1335795223 /nfs/dbraw/zinc/79/52/23/1335795223.db2.gz ZXNNARLXIKRJNC-CHWSQXEVSA-N 2 2 332.370 2.100 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001332320140 1335801184 /nfs/dbraw/zinc/80/11/84/1335801184.db2.gz FDWPHGDRBPWBPY-SJORKVTESA-N 2 2 332.492 2.417 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001413861513 1338273488 /nfs/dbraw/zinc/27/34/88/1338273488.db2.gz TZDHHASFFGDJIR-QFBILLFUSA-N 2 2 336.439 2.211 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001413861513 1338273493 /nfs/dbraw/zinc/27/34/93/1338273493.db2.gz TZDHHASFFGDJIR-QFBILLFUSA-N 2 2 336.439 2.211 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NC[C@H]1C[C@@H]([NH2+]CCC2CC2)C1 ZINC001436347296 1342043955 /nfs/dbraw/zinc/04/39/55/1342043955.db2.gz KHFRERDCGBRJCB-IYBDPMFKSA-N 2 2 330.476 2.046 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@H+](CCCCC(F)(F)F)C1 ZINC001500280888 1342131209 /nfs/dbraw/zinc/13/12/09/1342131209.db2.gz QSWICBOVRYCJSH-HNNXBMFYSA-N 2 2 346.397 2.276 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@]1(C)CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001500280888 1342131213 /nfs/dbraw/zinc/13/12/13/1342131213.db2.gz QSWICBOVRYCJSH-HNNXBMFYSA-N 2 2 346.397 2.276 10 0 EEAELP Cc1nc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c(C)s1 ZINC001676001622 1357085419 /nfs/dbraw/zinc/08/54/19/1357085419.db2.gz KBRMORNJFDIVRF-GFCCVEGCSA-N 2 2 349.504 2.111 10 0 EEAELP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001566667067 1342596354 /nfs/dbraw/zinc/59/63/54/1342596354.db2.gz XWBGOUKJLUYCKZ-FDRQBBGKSA-N 2 2 330.476 2.382 10 0 EEAELP CCC/C=C/CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001566667067 1342596356 /nfs/dbraw/zinc/59/63/56/1342596356.db2.gz XWBGOUKJLUYCKZ-FDRQBBGKSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC(F)(F)F)C1 ZINC001676968940 1357251732 /nfs/dbraw/zinc/25/17/32/1357251732.db2.gz FDSWWPKMGYEHFY-NWDGAFQWSA-N 2 2 332.370 2.088 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC001647298887 1353222664 /nfs/dbraw/zinc/22/26/64/1353222664.db2.gz CNZAMKJGANZLMQ-ROUUACIJSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccncc1 ZINC001647298887 1353222666 /nfs/dbraw/zinc/22/26/66/1353222666.db2.gz CNZAMKJGANZLMQ-ROUUACIJSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC001647298887 1353222671 /nfs/dbraw/zinc/22/26/71/1353222671.db2.gz CNZAMKJGANZLMQ-ROUUACIJSA-N 2 2 344.503 2.425 10 0 EEAELP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC001647298887 1353222676 /nfs/dbraw/zinc/22/26/76/1353222676.db2.gz CNZAMKJGANZLMQ-ROUUACIJSA-N 2 2 344.503 2.425 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](C)C[NH2+]CCOC(C)C)ccn12 ZINC001649447371 1353510383 /nfs/dbraw/zinc/51/03/83/1353510383.db2.gz SNLJLPKLTRBVSZ-CQSZACIVSA-N 2 2 332.448 2.023 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001660314052 1354438266 /nfs/dbraw/zinc/43/82/66/1354438266.db2.gz ZVMPBDOFXOUEFZ-LBPRGKRZSA-N 2 2 336.386 2.430 10 0 EEAELP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001660314052 1354438268 /nfs/dbraw/zinc/43/82/68/1354438268.db2.gz ZVMPBDOFXOUEFZ-LBPRGKRZSA-N 2 2 336.386 2.430 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccon1)C1CC1 ZINC001660680814 1354515759 /nfs/dbraw/zinc/51/57/59/1354515759.db2.gz VFDLSVUEXZWKLA-KRWDZBQOSA-N 2 2 334.464 2.018 10 0 EEAELP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccon1)C1CC1 ZINC001660680814 1354515763 /nfs/dbraw/zinc/51/57/63/1354515763.db2.gz VFDLSVUEXZWKLA-KRWDZBQOSA-N 2 2 334.464 2.018 10 0 EEAELP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](Cc1ccon1)C1CC1 ZINC001660680814 1354515766 /nfs/dbraw/zinc/51/57/66/1354515766.db2.gz VFDLSVUEXZWKLA-KRWDZBQOSA-N 2 2 334.464 2.018 10 0 EEAELP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](Cc1ccon1)C1CC1 ZINC001660680814 1354515768 /nfs/dbraw/zinc/51/57/68/1354515768.db2.gz VFDLSVUEXZWKLA-KRWDZBQOSA-N 2 2 334.464 2.018 10 0 EEAELP Cc1ncc(C[NH2+][C@H](C)CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)o1 ZINC001662293222 1354776248 /nfs/dbraw/zinc/77/62/48/1354776248.db2.gz PKENZKJEOLYPOT-CYBMUJFWSA-N 2 2 339.399 2.077 10 0 EEAELP CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001664028437 1355076723 /nfs/dbraw/zinc/07/67/23/1355076723.db2.gz LVDLETJREVBWGJ-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001664240691 1355119411 /nfs/dbraw/zinc/11/94/11/1355119411.db2.gz KPODENWGDZFKTG-LBPRGKRZSA-N 2 2 336.386 2.115 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC[NH2+]Cc1ccc(F)c(F)c1 ZINC001664240691 1355119417 /nfs/dbraw/zinc/11/94/17/1355119417.db2.gz KPODENWGDZFKTG-LBPRGKRZSA-N 2 2 336.386 2.115 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCc1ccccc1 ZINC001667395396 1355731743 /nfs/dbraw/zinc/73/17/43/1355731743.db2.gz ZVNJXWRFUYWDIB-APWZRJJASA-N 2 2 340.471 2.412 10 0 EEAELP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]Cc2ncc(C(C)(C)C)o2)CCC1 ZINC001668865513 1356028850 /nfs/dbraw/zinc/02/88/50/1356028850.db2.gz ZCFSLRKRWMFKDF-VOTSOKGWSA-N 2 2 348.491 2.218 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@H+](CCCCC(F)(F)F)C1 ZINC001671698646 1356398517 /nfs/dbraw/zinc/39/85/17/1356398517.db2.gz GRBOYSGUGIOALS-CQSZACIVSA-N 2 2 332.370 2.196 10 0 EEAELP C[C@@]1(NC(=O)Cn2cc[nH+]c2)CC[N@@H+](CCCCC(F)(F)F)C1 ZINC001671698646 1356398522 /nfs/dbraw/zinc/39/85/22/1356398522.db2.gz GRBOYSGUGIOALS-CQSZACIVSA-N 2 2 332.370 2.196 10 0 EEAELP Cc1nocc1C[NH2+]CC[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001672874029 1356603985 /nfs/dbraw/zinc/60/39/85/1356603985.db2.gz BRRATJBYUHZSMS-ZBFHGGJFSA-N 2 2 345.447 2.159 10 0 EEAELP Cc1cccn2cc(CC(=O)NC3CC(C[NH2+]CC[C@@H](C)F)C3)[nH+]c12 ZINC001674592525 1356861390 /nfs/dbraw/zinc/86/13/90/1356861390.db2.gz LURUHBXEADLRQL-QQFBHYJXSA-N 2 2 346.450 2.418 10 0 EEAELP C[C@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001674760577 1356891103 /nfs/dbraw/zinc/89/11/03/1356891103.db2.gz KGYPXFQKNNEIDK-STQMWFEESA-N 2 2 349.866 2.084 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cncs1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001675916165 1357069518 /nfs/dbraw/zinc/06/95/18/1357069518.db2.gz SRDIPMWAVYWPKP-IACUBPJLSA-N 2 2 333.461 2.044 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cncs1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001675916165 1357069521 /nfs/dbraw/zinc/06/95/21/1357069521.db2.gz SRDIPMWAVYWPKP-IACUBPJLSA-N 2 2 333.461 2.044 10 0 EEAELP C[C@@H](CNC(=O)c1cccc2[nH+]ccn21)C[NH2+]CC[C@H]1CCCCO1 ZINC001698756802 1405046844 /nfs/dbraw/zinc/04/68/44/1405046844.db2.gz PDNMKRAXAVYBEY-HZPDHXFCSA-N 2 2 344.459 2.249 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000844188340 788894215 /nfs/dbraw/zinc/89/42/15/788894215.db2.gz QMNYEXIIENHANK-SNPRPXQTSA-N 2 2 329.435 2.095 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000844188340 788894227 /nfs/dbraw/zinc/89/42/27/788894227.db2.gz QMNYEXIIENHANK-SNPRPXQTSA-N 2 2 329.435 2.095 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000825286729 800325664 /nfs/dbraw/zinc/32/56/64/800325664.db2.gz QMNFXVHGNQLQSS-UHFFFAOYSA-N 2 2 340.471 2.491 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCCC[N@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000825286729 800325672 /nfs/dbraw/zinc/32/56/72/800325672.db2.gz QMNFXVHGNQLQSS-UHFFFAOYSA-N 2 2 340.471 2.491 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCOC1CCC1 ZINC001565977098 1125480130 /nfs/dbraw/zinc/48/01/30/1125480130.db2.gz PIZQRPVGDLWHLU-ZBFHGGJFSA-N 2 2 348.491 2.046 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ncc(C(C)(C)C)o1 ZINC001566439616 1125602357 /nfs/dbraw/zinc/60/23/57/1125602357.db2.gz CHTXQWOLCGLDHU-AWEZNQCLSA-N 2 2 336.480 2.004 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ncc(C(C)(C)C)o1 ZINC001566439616 1125602364 /nfs/dbraw/zinc/60/23/64/1125602364.db2.gz CHTXQWOLCGLDHU-AWEZNQCLSA-N 2 2 336.480 2.004 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)Cc1ncc(C(C)(C)C)o1 ZINC001566439616 1125602373 /nfs/dbraw/zinc/60/23/73/1125602373.db2.gz CHTXQWOLCGLDHU-AWEZNQCLSA-N 2 2 336.480 2.004 10 0 EEAELP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)Cc1ncc(C(C)(C)C)o1 ZINC001566439616 1125602386 /nfs/dbraw/zinc/60/23/86/1125602386.db2.gz CHTXQWOLCGLDHU-AWEZNQCLSA-N 2 2 336.480 2.004 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC001566477070 1125638592 /nfs/dbraw/zinc/63/85/92/1125638592.db2.gz JMGHHHJFHMKGAC-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NCCC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001566477070 1125638605 /nfs/dbraw/zinc/63/86/05/1125638605.db2.gz JMGHHHJFHMKGAC-UHFFFAOYSA-N 2 2 349.866 2.039 10 0 EEAELP C[C@@H](c1ccccc1F)[N@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001566508499 1125678737 /nfs/dbraw/zinc/67/87/37/1125678737.db2.gz GZSNTPLOPSKHDI-AWEZNQCLSA-N 2 2 332.423 2.301 10 0 EEAELP C[C@@H](c1ccccc1F)[N@@H+](C)CCCNC(=O)Cc1c[nH+]cn1C ZINC001566508499 1125678742 /nfs/dbraw/zinc/67/87/42/1125678742.db2.gz GZSNTPLOPSKHDI-AWEZNQCLSA-N 2 2 332.423 2.301 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(Cl)c(F)c1 ZINC001566521589 1125694391 /nfs/dbraw/zinc/69/43/91/1125694391.db2.gz VHNSRMWKZDMMPZ-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(Cl)c(F)c1 ZINC001566521589 1125694395 /nfs/dbraw/zinc/69/43/95/1125694395.db2.gz VHNSRMWKZDMMPZ-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP CCc1nc(C[N@H+]2CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]2C)cs1 ZINC001436485988 1087980543 /nfs/dbraw/zinc/98/05/43/1087980543.db2.gz VOTKIXKJICRWMX-SNPRPXQTSA-N 2 2 338.521 2.125 10 0 EEAELP CCc1nc(C[N@@H+]2CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]2C)cs1 ZINC001436485988 1087980561 /nfs/dbraw/zinc/98/05/61/1087980561.db2.gz VOTKIXKJICRWMX-SNPRPXQTSA-N 2 2 338.521 2.125 10 0 EEAELP O=C(NC[C@@H]([NH2+]CC1CCCC1)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001436794456 1088360112 /nfs/dbraw/zinc/36/01/12/1088360112.db2.gz FWVAHQAPDVWWDR-IAGOWNOFSA-N 2 2 330.476 2.120 10 0 EEAELP C[N@H+](CCC1CC1)C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001436843065 1088478673 /nfs/dbraw/zinc/47/86/73/1088478673.db2.gz OUWJHQCIECBCHQ-QZTJIDSGSA-N 2 2 344.503 2.416 10 0 EEAELP C[N@@H+](CCC1CC1)C[C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001436843065 1088478682 /nfs/dbraw/zinc/47/86/82/1088478682.db2.gz OUWJHQCIECBCHQ-QZTJIDSGSA-N 2 2 344.503 2.416 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001438175010 1090683655 /nfs/dbraw/zinc/68/36/55/1090683655.db2.gz QMOPSANMIHWFDH-HOTGVXAUSA-N 2 2 348.491 2.233 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001438175010 1090683657 /nfs/dbraw/zinc/68/36/57/1090683657.db2.gz QMOPSANMIHWFDH-HOTGVXAUSA-N 2 2 348.491 2.233 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001438265875 1090748092 /nfs/dbraw/zinc/74/80/92/1090748092.db2.gz LCYNLDSGECIROB-HZPDHXFCSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001438265875 1090748096 /nfs/dbraw/zinc/74/80/96/1090748096.db2.gz LCYNLDSGECIROB-HZPDHXFCSA-N 2 2 345.447 2.254 10 0 EEAELP Cc1conc1C[NH2+]C[C@](C)(NC(=O)C[C@@H](C)n1cc[nH+]c1)C1CC1 ZINC001438426940 1090924449 /nfs/dbraw/zinc/92/44/49/1090924449.db2.gz YHBMHYASZCORIP-KDOFPFPSSA-N 2 2 345.447 2.205 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@@H]1C ZINC001438432756 1090934287 /nfs/dbraw/zinc/93/42/87/1090934287.db2.gz QNNLLPVOPONVGR-SCLBCKFNSA-N 2 2 345.447 2.104 10 0 EEAELP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001438440531 1090942755 /nfs/dbraw/zinc/94/27/55/1090942755.db2.gz PVHZVWDOOYNPOT-KLHDSHLOSA-N 2 2 336.455 2.211 10 0 EEAELP CC(C)CC[N@@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001438592571 1091082259 /nfs/dbraw/zinc/08/22/59/1091082259.db2.gz XBPOSYFWOBWIIO-OALUTQOASA-N 2 2 347.503 2.152 10 0 EEAELP CC(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001438592571 1091082265 /nfs/dbraw/zinc/08/22/65/1091082265.db2.gz XBPOSYFWOBWIIO-OALUTQOASA-N 2 2 347.503 2.152 10 0 EEAELP C[C@@H](C[N@H+](C)CCc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445761356 1091609503 /nfs/dbraw/zinc/60/95/03/1091609503.db2.gz JFFOSMVWMHCXQZ-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP C[C@@H](C[N@@H+](C)CCc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445761356 1091609506 /nfs/dbraw/zinc/60/95/06/1091609506.db2.gz JFFOSMVWMHCXQZ-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP COc1cccc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001439073101 1091720005 /nfs/dbraw/zinc/72/00/05/1091720005.db2.gz MUSWYICXEWHBKO-HUUCEWRRSA-N 2 2 330.432 2.137 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445859707 1091778604 /nfs/dbraw/zinc/77/86/04/1091778604.db2.gz YDZHGTGOZODPMG-HUUCEWRRSA-N 2 2 344.459 2.169 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001445859707 1091778607 /nfs/dbraw/zinc/77/86/07/1091778607.db2.gz YDZHGTGOZODPMG-HUUCEWRRSA-N 2 2 344.459 2.169 10 0 EEAELP Cc1ncc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001445887378 1091815374 /nfs/dbraw/zinc/81/53/74/1091815374.db2.gz UATSRKMCPXTMOP-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP Cc1ncc(C[N@H+](C)C[C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001445887378 1091815380 /nfs/dbraw/zinc/81/53/80/1091815380.db2.gz UATSRKMCPXTMOP-KSSFIOAISA-N 2 2 344.459 2.222 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439320994 1091995155 /nfs/dbraw/zinc/99/51/55/1091995155.db2.gz AYUBHNACEGXMKC-CQSZACIVSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001439320994 1091995161 /nfs/dbraw/zinc/99/51/61/1091995161.db2.gz AYUBHNACEGXMKC-CQSZACIVSA-N 2 2 336.480 2.184 10 0 EEAELP C[C@@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439337130 1092035077 /nfs/dbraw/zinc/03/50/77/1092035077.db2.gz TVOMOYTYHRCULA-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@@H](C[N@@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439337130 1092035086 /nfs/dbraw/zinc/03/50/86/1092035086.db2.gz TVOMOYTYHRCULA-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@@H](C[N@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439337130 1092035096 /nfs/dbraw/zinc/03/50/96/1092035096.db2.gz TVOMOYTYHRCULA-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP C[C@@H](C[N@@H+](C)C[C@@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439337130 1092035103 /nfs/dbraw/zinc/03/51/03/1092035103.db2.gz TVOMOYTYHRCULA-QWHCGFSZSA-N 2 2 328.407 2.214 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001439479826 1092283968 /nfs/dbraw/zinc/28/39/68/1092283968.db2.gz AIBVUEPYFIDEFN-DOTOQJQBSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cnc(C[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001439479832 1092284192 /nfs/dbraw/zinc/28/41/92/1092284192.db2.gz AIBVUEPYFIDEFN-WBVHZDCISA-N 2 2 348.491 2.232 10 0 EEAELP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001446211267 1092297021 /nfs/dbraw/zinc/29/70/21/1092297021.db2.gz PEEPPJXSIGMRSD-UHFFFAOYSA-N 2 2 334.464 2.066 10 0 EEAELP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]Cc2ccon2)CC1 ZINC001446211267 1092297024 /nfs/dbraw/zinc/29/70/24/1092297024.db2.gz PEEPPJXSIGMRSD-UHFFFAOYSA-N 2 2 334.464 2.066 10 0 EEAELP Cc1ncoc1C[NH+]1CC[C@@H]1CNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001439529890 1092384307 /nfs/dbraw/zinc/38/43/07/1092384307.db2.gz HIHWHQYMXBJIMJ-MRXNPFEDSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[NH+]1CC[C@@H]1CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001439529890 1092384318 /nfs/dbraw/zinc/38/43/18/1092384318.db2.gz HIHWHQYMXBJIMJ-MRXNPFEDSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001439529890 1092384357 /nfs/dbraw/zinc/38/43/57/1092384357.db2.gz HIHWHQYMXBJIMJ-MRXNPFEDSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncoc1C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001439529890 1092384367 /nfs/dbraw/zinc/38/43/67/1092384367.db2.gz HIHWHQYMXBJIMJ-MRXNPFEDSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](NC(=O)Cc2[nH]c[nH+]c2C)C2CCCC2)o1 ZINC001439814977 1092788730 /nfs/dbraw/zinc/78/87/30/1092788730.db2.gz OMBDLGPHBOAJSF-KRWDZBQOSA-N 2 2 345.447 2.022 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)CCC[N@H+](Cc2cscn2)C1 ZINC001439945098 1093053645 /nfs/dbraw/zinc/05/36/45/1093053645.db2.gz VRAZDNORIHZUHY-QGZVFWFLSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@]1(C)CCC[N@@H+](Cc2cscn2)C1 ZINC001439945098 1093053652 /nfs/dbraw/zinc/05/36/52/1093053652.db2.gz VRAZDNORIHZUHY-QGZVFWFLSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)C2)sn1 ZINC001440326881 1093469197 /nfs/dbraw/zinc/46/91/97/1093469197.db2.gz QSPUYYKUNKEIDH-FPMFFAJLSA-N 2 2 347.488 2.038 10 0 EEAELP Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H](C)Cc3c[nH+]c[nH]3)C2)sn1 ZINC001440326881 1093469201 /nfs/dbraw/zinc/46/92/01/1093469201.db2.gz QSPUYYKUNKEIDH-FPMFFAJLSA-N 2 2 347.488 2.038 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCc2ccccc2F)C1 ZINC001440402258 1093588926 /nfs/dbraw/zinc/58/89/26/1093588926.db2.gz NJVZBSBIPZSRPX-GOEBONIOSA-N 2 2 344.434 2.209 10 0 EEAELP C[C@@H]([NH2+]Cc1cc(F)cc(F)c1)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001440822126 1094075059 /nfs/dbraw/zinc/07/50/59/1094075059.db2.gz LKRPIOZXIOPSCW-OLZOCXBDSA-N 2 2 336.386 2.234 10 0 EEAELP Cc1cncc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2)c1 ZINC001440845199 1094102611 /nfs/dbraw/zinc/10/26/11/1094102611.db2.gz BTLSIQVGJGFSKG-CVEARBPZSA-N 2 2 329.448 2.050 10 0 EEAELP Cc1cc(C[NH+]2CCC(N(C)C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC001440982514 1094246002 /nfs/dbraw/zinc/24/60/02/1094246002.db2.gz CZNVAVRBRFJCBM-QGZVFWFLSA-N 2 2 348.491 2.280 10 0 EEAELP Cc1cc(C[NH+]2CCC(N(C)C(=O)CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC001440982514 1094246009 /nfs/dbraw/zinc/24/60/09/1094246009.db2.gz CZNVAVRBRFJCBM-QGZVFWFLSA-N 2 2 348.491 2.280 10 0 EEAELP C[C@@H](CC(=O)N(C)C1CC([NH2+]CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001449387814 1094362500 /nfs/dbraw/zinc/36/25/00/1094362500.db2.gz PXOGCAJYCKNMKU-GRTSSRMGSA-N 2 2 340.418 2.459 10 0 EEAELP CC(C)(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001441197471 1094557502 /nfs/dbraw/zinc/55/75/02/1094557502.db2.gz BYVSKYCZWQAXBK-HOTGVXAUSA-N 2 2 332.492 2.366 10 0 EEAELP O=C(NC[C@H]([NH2+]Cc1ccccc1)C1CC1)[C@H]1CCc2[nH+]ccn2C1 ZINC001441200380 1094561002 /nfs/dbraw/zinc/56/10/02/1094561002.db2.gz HKKSGKNSYOQWRD-ROUUACIJSA-N 2 2 338.455 2.130 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001441222658 1094590487 /nfs/dbraw/zinc/59/04/87/1094590487.db2.gz DLGOTXNVNQHNCT-OAHLLOKOSA-N 2 2 332.473 2.099 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@H]([NH2+]Cc1ccsc1)C1CC1 ZINC001441222657 1094590952 /nfs/dbraw/zinc/59/09/52/1094590952.db2.gz DLGOTXNVNQHNCT-HNNXBMFYSA-N 2 2 332.473 2.099 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc2c(C)noc2C)c[nH+]1 ZINC001441532804 1095244767 /nfs/dbraw/zinc/24/47/67/1095244767.db2.gz DJLXVVDAGZXIGH-GFCCVEGCSA-N 2 2 347.463 2.168 10 0 EEAELP Cc1ncc(C[NH2+]C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C(C)(C)C)s1 ZINC001442158532 1096414653 /nfs/dbraw/zinc/41/46/53/1096414653.db2.gz AHINGNGJMXHYLL-AWEZNQCLSA-N 2 2 335.477 2.038 10 0 EEAELP Cc1oncc1C[NH2+]C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1)C(C)(C)C ZINC001442167647 1096429930 /nfs/dbraw/zinc/42/99/30/1096429930.db2.gz WJQRWPYCWFIBKL-XJKSGUPXSA-N 2 2 347.463 2.451 10 0 EEAELP C[C@H](CCNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(F)c1Cl ZINC001442307705 1096624357 /nfs/dbraw/zinc/62/43/57/1096624357.db2.gz JCJGHYVCGGBNBA-LLVKDONJSA-N 2 2 338.814 2.429 10 0 EEAELP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccon1 ZINC001442954519 1097372683 /nfs/dbraw/zinc/37/26/83/1097372683.db2.gz WYZMRMMKMWJSRZ-RDJZCZTQSA-N 2 2 336.480 2.123 10 0 EEAELP CCC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)Cc1ccon1 ZINC001442954519 1097372688 /nfs/dbraw/zinc/37/26/88/1097372688.db2.gz WYZMRMMKMWJSRZ-RDJZCZTQSA-N 2 2 336.480 2.123 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001443484205 1097980639 /nfs/dbraw/zinc/98/06/39/1097980639.db2.gz WPFXFXJQKYMYEJ-YJBOKZPZSA-N 2 2 345.487 2.431 10 0 EEAELP COc1cccc([C@H](C)[NH+]2CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001443484205 1097980645 /nfs/dbraw/zinc/98/06/45/1097980645.db2.gz WPFXFXJQKYMYEJ-YJBOKZPZSA-N 2 2 345.487 2.431 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001443613193 1098109653 /nfs/dbraw/zinc/10/96/53/1098109653.db2.gz DUVNOICDSGLFIN-LIRRHRJNSA-N 2 2 338.455 2.324 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001443613193 1098109655 /nfs/dbraw/zinc/10/96/55/1098109655.db2.gz DUVNOICDSGLFIN-LIRRHRJNSA-N 2 2 338.455 2.324 10 0 EEAELP CC[C@H](C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH+]ccc2OC)CC1)OC ZINC001444172877 1098723632 /nfs/dbraw/zinc/72/36/32/1098723632.db2.gz SDPWDINBPAJVFP-BRWVUGGUSA-N 2 2 349.475 2.075 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCF)C2 ZINC001479738283 1098853116 /nfs/dbraw/zinc/85/31/16/1098853116.db2.gz ZNILKQWHXOUBAU-HOTGVXAUSA-N 2 2 336.455 2.036 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCCC[C@H]1C[N@@H+](C)CCF)C2 ZINC001479738283 1098853124 /nfs/dbraw/zinc/85/31/24/1098853124.db2.gz ZNILKQWHXOUBAU-HOTGVXAUSA-N 2 2 336.455 2.036 10 0 EEAELP C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001479757008 1098910337 /nfs/dbraw/zinc/91/03/37/1098910337.db2.gz HUJPKFKQEYUUFL-AEFFLSMTSA-N 2 2 330.476 2.458 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001444611075 1099438687 /nfs/dbraw/zinc/43/86/87/1099438687.db2.gz HDSPLSCOYKNUMF-KDOFPFPSSA-N 2 2 326.444 2.466 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001444611075 1099438701 /nfs/dbraw/zinc/43/87/01/1099438701.db2.gz HDSPLSCOYKNUMF-KDOFPFPSSA-N 2 2 326.444 2.466 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1nc(C)c(C)o1)C1CC1 ZINC001480066327 1099599256 /nfs/dbraw/zinc/59/92/56/1099599256.db2.gz OOCZRXCLSVKNFK-DLBZAZTESA-N 2 2 348.491 2.150 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1nc(C)c(C)o1)C1CC1 ZINC001480066327 1099599267 /nfs/dbraw/zinc/59/92/67/1099599267.db2.gz OOCZRXCLSVKNFK-DLBZAZTESA-N 2 2 348.491 2.150 10 0 EEAELP COCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480189791 1099790638 /nfs/dbraw/zinc/79/06/38/1099790638.db2.gz SDGRLUSZAGDEEJ-DLBZAZTESA-N 2 2 348.491 2.082 10 0 EEAELP COCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001480189791 1099790652 /nfs/dbraw/zinc/79/06/52/1099790652.db2.gz SDGRLUSZAGDEEJ-DLBZAZTESA-N 2 2 348.491 2.082 10 0 EEAELP Cc1nocc1C[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)CC1 ZINC001480409906 1100226012 /nfs/dbraw/zinc/22/60/12/1100226012.db2.gz VYLGNRYENQENOJ-JQRITLKVSA-N 2 2 345.447 2.102 10 0 EEAELP Cc1nocc1C[NH2+]C1CCC(NC(=O)[C@@H](C)Cc2c[nH+]c[nH]2)CC1 ZINC001480409906 1100226019 /nfs/dbraw/zinc/22/60/19/1100226019.db2.gz VYLGNRYENQENOJ-JQRITLKVSA-N 2 2 345.447 2.102 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c(C)s1 ZINC001480481894 1100290083 /nfs/dbraw/zinc/29/00/83/1100290083.db2.gz OUGFWEDBSLHIAT-VCTAVGKDSA-N 2 2 332.473 2.486 10 0 EEAELP Cc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c(C)s1 ZINC001480481894 1100290091 /nfs/dbraw/zinc/29/00/91/1100290091.db2.gz OUGFWEDBSLHIAT-VCTAVGKDSA-N 2 2 332.473 2.486 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c[nH+]1 ZINC001480486188 1100296583 /nfs/dbraw/zinc/29/65/83/1100296583.db2.gz KICLOAHQUMSQTG-JSGCOSHPSA-N 2 2 342.434 2.456 10 0 EEAELP CN(C(=O)CCc1c[nH+]cn1C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001446398420 1100791081 /nfs/dbraw/zinc/79/10/81/1100791081.db2.gz OHODYVODRPAHCA-IBGZPJMESA-N 2 2 338.455 2.183 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C/Cl)CCCC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001495168699 1100841742 /nfs/dbraw/zinc/84/17/42/1100841742.db2.gz OOPGMZCWCVAALX-SMDADKPZSA-N 2 2 336.867 2.217 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H](C[NH2+]CC[C@H]1CCCO1)C1CCCCC1 ZINC001496325103 1100919643 /nfs/dbraw/zinc/91/96/43/1100919643.db2.gz RKPJIGMAQCIUEF-QZTJIDSGSA-N 2 2 348.491 2.176 10 0 EEAELP Cc1ccncc1C[N@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001446557037 1101034313 /nfs/dbraw/zinc/03/43/13/1101034313.db2.gz ORYCGUJFVBWSQZ-LPHOPBHVSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ccncc1C[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001446557037 1101034325 /nfs/dbraw/zinc/03/43/25/1101034325.db2.gz ORYCGUJFVBWSQZ-LPHOPBHVSA-N 2 2 341.459 2.318 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1(C)CC[NH+](CC2CC2)CC1 ZINC001446633648 1101144822 /nfs/dbraw/zinc/14/48/22/1101144822.db2.gz FZAQLWQCZHQCNB-UHFFFAOYSA-N 2 2 331.460 2.261 10 0 EEAELP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001495458859 1101171940 /nfs/dbraw/zinc/17/19/40/1101171940.db2.gz XGFGEZBNOICIAG-KLHDSHLOSA-N 2 2 336.455 2.211 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(C(C)C)n1 ZINC001495796188 1101608665 /nfs/dbraw/zinc/60/86/65/1101608665.db2.gz KEBXGGPTDDZYEO-CQSZACIVSA-N 2 2 343.475 2.321 10 0 EEAELP CO[C@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001446969438 1101679656 /nfs/dbraw/zinc/67/96/56/1101679656.db2.gz QGWLFHCCIUPEJN-WRQOLXDDSA-N 2 2 348.491 2.060 10 0 EEAELP CO[C@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001446969438 1101679662 /nfs/dbraw/zinc/67/96/62/1101679662.db2.gz QGWLFHCCIUPEJN-WRQOLXDDSA-N 2 2 348.491 2.060 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001496912496 1101711262 /nfs/dbraw/zinc/71/12/62/1101711262.db2.gz BMUYAIKTOOFORM-AEFFLSMTSA-N 2 2 332.492 2.417 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)c(C)o1 ZINC001496171235 1102166533 /nfs/dbraw/zinc/16/65/33/1102166533.db2.gz KJFYPUUDWAODFY-OLZOCXBDSA-N 2 2 333.436 2.076 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)c2ccn3c(C)c[nH+]c3c2)on1 ZINC001497577253 1102689661 /nfs/dbraw/zinc/68/96/61/1102689661.db2.gz BEAUVFSHLNGPMQ-ARJAWSKDSA-N 2 2 339.399 2.015 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCOC1CCC1 ZINC001447786095 1103339619 /nfs/dbraw/zinc/33/96/19/1103339619.db2.gz XALGVCQHMCOUSD-WBVHZDCISA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCOC1CCC1 ZINC001447786095 1103339633 /nfs/dbraw/zinc/33/96/33/1103339633.db2.gz XALGVCQHMCOUSD-WBVHZDCISA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCOC1CCC1 ZINC001447786095 1103339651 /nfs/dbraw/zinc/33/96/51/1103339651.db2.gz XALGVCQHMCOUSD-WBVHZDCISA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCOC1CCC1 ZINC001447786095 1103339664 /nfs/dbraw/zinc/33/96/64/1103339664.db2.gz XALGVCQHMCOUSD-WBVHZDCISA-N 2 2 348.491 2.080 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2[nH+]ccn2C)c(C)n1 ZINC001447873450 1103490701 /nfs/dbraw/zinc/49/07/01/1103490701.db2.gz AORMKHDCUXCPBG-LSDHHAIUSA-N 2 2 343.475 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCc1ccccc1F ZINC001447923790 1103608121 /nfs/dbraw/zinc/60/81/21/1103608121.db2.gz RCGXYTQAEMYVLW-QWHCGFSZSA-N 2 2 332.423 2.125 10 0 EEAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@H+](C)CCC1CCOCC1 ZINC001448093577 1103987361 /nfs/dbraw/zinc/98/73/61/1103987361.db2.gz PBMHLOORLULPEB-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[N@@H+](C)CCC1CCOCC1 ZINC001448093577 1103987384 /nfs/dbraw/zinc/98/73/84/1103987384.db2.gz PBMHLOORLULPEB-JKSUJKDBSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1cccnc1C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2)CCCCC1 ZINC001448233585 1104222506 /nfs/dbraw/zinc/22/25/06/1104222506.db2.gz GMFDUJFODIVVHQ-UHFFFAOYSA-N 2 2 341.459 2.195 10 0 EEAELP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480708164 1106927599 /nfs/dbraw/zinc/92/75/99/1106927599.db2.gz FJTJLCBFGWCWSP-HZPDHXFCSA-N 2 2 345.447 2.177 10 0 EEAELP Cc1ncoc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001480708166 1106928764 /nfs/dbraw/zinc/92/87/64/1106928764.db2.gz FJTJLCBFGWCWSP-JKSUJKDBSA-N 2 2 345.447 2.177 10 0 EEAELP CC[NH2+]CCc1ccc(CNC(=O)Cc2c[nH+]ccc2OC)cc1 ZINC001480714798 1106944074 /nfs/dbraw/zinc/94/40/74/1106944074.db2.gz MHEFNLDLBQJGFI-UHFFFAOYSA-N 2 2 327.428 2.101 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc2ncccc2C)c[nH+]1 ZINC001498318406 1107285740 /nfs/dbraw/zinc/28/57/40/1107285740.db2.gz YDCOHSDFKIZCNF-MRXNPFEDSA-N 2 2 343.475 2.267 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc2ncccc2C)c[nH+]1 ZINC001498318406 1107285748 /nfs/dbraw/zinc/28/57/48/1107285748.db2.gz YDCOHSDFKIZCNF-MRXNPFEDSA-N 2 2 343.475 2.267 10 0 EEAELP Cc1conc1C[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498410864 1107473623 /nfs/dbraw/zinc/47/36/23/1107473623.db2.gz XMGGBXONYDYHBU-HNNXBMFYSA-N 2 2 344.459 2.295 10 0 EEAELP Cc1conc1C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001498410864 1107473628 /nfs/dbraw/zinc/47/36/28/1107473628.db2.gz XMGGBXONYDYHBU-HNNXBMFYSA-N 2 2 344.459 2.295 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493242263 1107756190 /nfs/dbraw/zinc/75/61/90/1107756190.db2.gz ZJKVKLPORZITAO-AWEZNQCLSA-N 2 2 345.447 2.010 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001493242263 1107756203 /nfs/dbraw/zinc/75/62/03/1107756203.db2.gz ZJKVKLPORZITAO-AWEZNQCLSA-N 2 2 345.447 2.010 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001498586427 1107765034 /nfs/dbraw/zinc/76/50/34/1107765034.db2.gz OJAHRLIDUQPDLX-UHFFFAOYSA-N 2 2 341.390 2.349 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C2CC2)o1 ZINC001498831941 1108188857 /nfs/dbraw/zinc/18/88/57/1108188857.db2.gz NZVGUSJPFJLDKK-SJORKVTESA-N 2 2 348.491 2.230 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C2CC2)o1 ZINC001498831941 1108188859 /nfs/dbraw/zinc/18/88/59/1108188859.db2.gz NZVGUSJPFJLDKK-SJORKVTESA-N 2 2 348.491 2.230 10 0 EEAELP C[C@H]([NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1)c1ccc(F)cc1F ZINC001498874054 1108259347 /nfs/dbraw/zinc/25/93/47/1108259347.db2.gz LPAPRXFPHKISLX-YVEFUNNKSA-N 2 2 348.397 2.407 10 0 EEAELP CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232668 1109117974 /nfs/dbraw/zinc/11/79/74/1109117974.db2.gz VLZFXNQZWOIVIJ-MAUKXSAKSA-N 2 2 329.488 2.280 10 0 EEAELP CC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232668 1109117976 /nfs/dbraw/zinc/11/79/76/1109117976.db2.gz VLZFXNQZWOIVIJ-MAUKXSAKSA-N 2 2 329.488 2.280 10 0 EEAELP CC[NH+]1C[C@@H](NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232668 1109117978 /nfs/dbraw/zinc/11/79/78/1109117978.db2.gz VLZFXNQZWOIVIJ-MAUKXSAKSA-N 2 2 329.488 2.280 10 0 EEAELP CC[NH+]1C[C@@H](NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232668 1109117981 /nfs/dbraw/zinc/11/79/81/1109117981.db2.gz VLZFXNQZWOIVIJ-MAUKXSAKSA-N 2 2 329.488 2.280 10 0 EEAELP Cc1ccc(CCC[NH2+]C[C@@H]2CCCN2C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001499930431 1112545656 /nfs/dbraw/zinc/54/56/56/1112545656.db2.gz ZBMXLAAIVWVUQM-IBGZPJMESA-N 2 2 340.471 2.474 10 0 EEAELP C[C@]1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC[N@H+](CC2CCC2)C1 ZINC001500505127 1112897125 /nfs/dbraw/zinc/89/71/25/1112897125.db2.gz JNQIGRCSNSCAHT-FXAWDEMLSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@]1(CNC(=O)[C@H]2CCn3cc[nH+]c3C2)CCC[N@@H+](CC2CCC2)C1 ZINC001500505127 1112897127 /nfs/dbraw/zinc/89/71/27/1112897127.db2.gz JNQIGRCSNSCAHT-FXAWDEMLSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001501574788 1113388474 /nfs/dbraw/zinc/38/84/74/1113388474.db2.gz RQSKLFKCIOCOSZ-INIZCTEOSA-N 2 2 341.459 2.074 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001501574788 1113388478 /nfs/dbraw/zinc/38/84/78/1113388478.db2.gz RQSKLFKCIOCOSZ-INIZCTEOSA-N 2 2 341.459 2.074 10 0 EEAELP CC[C@@H](C(=O)N[C@@H]1COC2(C[NH+](CC=C(C)C)C2)C1)[NH+](CC)CC ZINC001502464273 1113693783 /nfs/dbraw/zinc/69/37/83/1113693783.db2.gz HMNWCRYMSWCQSX-IRXDYDNUSA-N 2 2 337.508 2.033 10 0 EEAELP CC(C)COCC[NH2+]CC1CC(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001505505605 1114027501 /nfs/dbraw/zinc/02/75/01/1114027501.db2.gz OQHCPBJHQRPJFI-UHFFFAOYSA-N 2 2 344.459 2.334 10 0 EEAELP CC(C)OCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001506866852 1114935665 /nfs/dbraw/zinc/93/56/65/1114935665.db2.gz UNTQWFLYFQCWOP-UHFFFAOYSA-N 2 2 348.491 2.037 10 0 EEAELP CC(C)OCC[N@H+]1CCCC2(CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001506866852 1114935669 /nfs/dbraw/zinc/93/56/69/1114935669.db2.gz UNTQWFLYFQCWOP-UHFFFAOYSA-N 2 2 348.491 2.037 10 0 EEAELP Cc1nc(C[NH2+][C@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C)co1 ZINC001507290197 1115176446 /nfs/dbraw/zinc/17/64/46/1115176446.db2.gz QGBIFTKAMBZSQH-DYVFJYSZSA-N 2 2 345.447 2.047 10 0 EEAELP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1Cc1cncc(F)c1 ZINC001507374128 1115233278 /nfs/dbraw/zinc/23/32/78/1115233278.db2.gz ISVGNEFZQVLMNJ-WMLDXEAASA-N 2 2 348.466 2.174 10 0 EEAELP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@H+]1Cc1cncc(F)c1 ZINC001507374128 1115233279 /nfs/dbraw/zinc/23/32/79/1115233279.db2.gz ISVGNEFZQVLMNJ-WMLDXEAASA-N 2 2 348.466 2.174 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](NC(=O)CCc2c[nH]c[nH+]2)C(C)(C)C)sn1 ZINC001507952521 1115379690 /nfs/dbraw/zinc/37/96/90/1115379690.db2.gz QSHHUNZECRROBV-OAHLLOKOSA-N 2 2 349.504 2.428 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](NC(=O)CCc2c[nH+]c[nH]2)C(C)(C)C)sn1 ZINC001507952521 1115379694 /nfs/dbraw/zinc/37/96/94/1115379694.db2.gz QSHHUNZECRROBV-OAHLLOKOSA-N 2 2 349.504 2.428 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H](C)C1CC[NH+](Cc2ccns2)CC1 ZINC001508067479 1115409746 /nfs/dbraw/zinc/40/97/46/1115409746.db2.gz AGGNGONZSQKRAJ-CYBMUJFWSA-N 2 2 347.488 2.065 10 0 EEAELP CC[C@@H](F)C[NH2+]Cc1ccc(CNC(=O)Cc2[nH]cc[nH+]2)c(F)c1 ZINC001508241208 1115457930 /nfs/dbraw/zinc/45/79/30/1115457930.db2.gz HSTUPBSRFBIQHJ-CQSZACIVSA-N 2 2 336.386 2.245 10 0 EEAELP C[C@@H](CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccon1)n1cc[nH+]c1 ZINC001568394239 1124464553 /nfs/dbraw/zinc/46/45/53/1124464553.db2.gz BZQVBGKAQPUOBD-DOTOQJQBSA-N 2 2 345.447 2.383 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)co1 ZINC001568397942 1124468957 /nfs/dbraw/zinc/46/89/57/1124468957.db2.gz LHMDBFPQFAWXFC-MRXNPFEDSA-N 2 2 345.447 2.118 10 0 EEAELP COc1ccc(Cl)c(C[NH2+]C/C=C/CNC(=O)Cn2cc[nH+]c2)c1 ZINC001568973363 1125012900 /nfs/dbraw/zinc/01/29/00/1125012900.db2.gz JOJWXLNFNNBDMB-NSCUHMNNSA-N 2 2 348.834 2.007 10 0 EEAELP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001565867315 1125444348 /nfs/dbraw/zinc/44/43/48/1125444348.db2.gz OITBHLALAZLOAZ-BRWVUGGUSA-N 2 2 332.492 2.366 10 0 EEAELP O[C@H](C[NH2+]CCn1cc[nH+]c1)COc1c(Cl)cccc1Cl ZINC000042336915 213494301 /nfs/dbraw/zinc/49/43/01/213494301.db2.gz KGFBOQZNBKIQHY-LLVKDONJSA-N 2 2 330.215 2.219 10 0 EEAELP NC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000119666878 283296999 /nfs/dbraw/zinc/29/69/99/283296999.db2.gz SIGXULAEHPRIJQ-SFHVURJKSA-N 2 2 330.476 2.174 10 0 EEAELP NC(=O)N1CCC([NH2+]C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000119666878 283297004 /nfs/dbraw/zinc/29/70/04/283297004.db2.gz SIGXULAEHPRIJQ-SFHVURJKSA-N 2 2 330.476 2.174 10 0 EEAELP [NH3+][C@@H]1CCC[C@H]2CN(c3[nH+]cnc4c3cnn4-c3ccccc3)C[C@H]21 ZINC000262126464 283589008 /nfs/dbraw/zinc/58/90/08/283589008.db2.gz CQEGZGGUYUUATH-IAOVAPTHSA-N 2 2 334.427 2.379 10 0 EEAELP C[NH+](C)CCCCNC(=O)c1c2ccccc2nc2c1C[N@H+](C)CC2 ZINC000416157563 239086584 /nfs/dbraw/zinc/08/65/84/239086584.db2.gz IYZFYTVZBHFLIU-UHFFFAOYSA-N 2 2 340.471 2.294 10 0 EEAELP C[NH+](C)CCCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](C)CC2 ZINC000416157563 239086590 /nfs/dbraw/zinc/08/65/90/239086590.db2.gz IYZFYTVZBHFLIU-UHFFFAOYSA-N 2 2 340.471 2.294 10 0 EEAELP COc1ccc([C@H](NCC[N@@H+]2CCOCC2(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422702477 240182863 /nfs/dbraw/zinc/18/28/63/240182863.db2.gz FFIAFOLCNJSZEO-MOPGFXCFSA-N 2 2 347.503 2.189 10 0 EEAELP COc1ccc([C@H](NCC[N@H+]2CCOCC2(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422702477 240182870 /nfs/dbraw/zinc/18/28/70/240182870.db2.gz FFIAFOLCNJSZEO-MOPGFXCFSA-N 2 2 347.503 2.189 10 0 EEAELP Fc1cccc(N2CCC[C@H]([NH2+][C@@H](C3CC3)[C@@H]3C[NH2+]CCO3)C2)c1 ZINC000422755260 240209171 /nfs/dbraw/zinc/20/91/71/240209171.db2.gz GNEIIXAEFVTJPY-WDSOQIARSA-N 2 2 333.451 2.151 10 0 EEAELP CN(C)[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000422759785 240211661 /nfs/dbraw/zinc/21/16/61/240211661.db2.gz LMHVSEKBTJZAHT-KURKYZTESA-N 2 2 337.895 2.299 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCO[C@@H]2CCOC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422872798 240268766 /nfs/dbraw/zinc/26/87/66/240268766.db2.gz IRMNFXFLTSUPCM-QRVBRYPASA-N 2 2 334.460 2.274 10 0 EEAELP COc1ccc([C@@H]([NH2+]CCCc2cnn(C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422912470 240286575 /nfs/dbraw/zinc/28/65/75/240286575.db2.gz WFUGJBKVEXKZFK-RBUKOAKNSA-N 2 2 328.460 2.444 10 0 EEAELP Fc1ccc([C@@H]2C[C@H]([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CCO2)cc1 ZINC000423039335 240340430 /nfs/dbraw/zinc/34/04/30/240340430.db2.gz QIYJSCYQSRGWPD-YDZRNGNQSA-N 2 2 334.435 2.402 10 0 EEAELP C[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[NH+]1CCSCC1 ZINC000447725826 242308693 /nfs/dbraw/zinc/30/86/93/242308693.db2.gz DTQHFJPWEKVTGH-XJKSGUPXSA-N 2 2 349.500 2.448 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000415151381 296233714 /nfs/dbraw/zinc/23/37/14/296233714.db2.gz SKVXUYRLECKPKQ-RVKKMQEKSA-N 2 2 346.475 2.199 10 0 EEAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[NH+](C2CC2)CC1 ZINC000118781224 221181275 /nfs/dbraw/zinc/18/12/75/221181275.db2.gz GIYAZSAMNFFDSZ-UHFFFAOYSA-N 2 2 327.428 2.415 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1 ZINC000191079857 152236526 /nfs/dbraw/zinc/23/65/26/152236526.db2.gz AMBJWHLCWPJZDT-NVXWUHKLSA-N 2 2 337.512 2.260 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C(C)(C)C)nn2)[C@H](C)C1 ZINC000191079857 152236530 /nfs/dbraw/zinc/23/65/30/152236530.db2.gz AMBJWHLCWPJZDT-NVXWUHKLSA-N 2 2 337.512 2.260 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000377244035 154101750 /nfs/dbraw/zinc/10/17/50/154101750.db2.gz SIEOCNAZXCLUIW-YJBOKZPZSA-N 2 2 341.459 2.408 10 0 EEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000249910185 160386817 /nfs/dbraw/zinc/38/68/17/160386817.db2.gz VTSWLXXTJXPKBQ-BBWFWOEESA-N 2 2 330.476 2.320 10 0 EEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)C1 ZINC000249910185 160386819 /nfs/dbraw/zinc/38/68/19/160386819.db2.gz VTSWLXXTJXPKBQ-BBWFWOEESA-N 2 2 330.476 2.320 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261596038 160399901 /nfs/dbraw/zinc/39/99/01/160399901.db2.gz ADRDONYZEVRTSC-GFCCVEGCSA-N 2 2 329.897 2.419 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H]([NH3+])C(C)(C)C1 ZINC000261596038 160399902 /nfs/dbraw/zinc/39/99/02/160399902.db2.gz ADRDONYZEVRTSC-GFCCVEGCSA-N 2 2 329.897 2.419 10 0 EEAELP Cc1cccn2c(CN3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)c[nH+]c12 ZINC000093147703 159231151 /nfs/dbraw/zinc/23/11/51/159231151.db2.gz OZRMXKIBBRXSTN-SFHVURJKSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cccn2c(CN3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)c[nH+]c12 ZINC000093147703 159231153 /nfs/dbraw/zinc/23/11/53/159231153.db2.gz OZRMXKIBBRXSTN-SFHVURJKSA-N 2 2 341.503 2.245 10 0 EEAELP CN(CC1CC[NH+](C)CC1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000103511344 159278908 /nfs/dbraw/zinc/27/89/08/159278908.db2.gz TXUMLIXGVSIKMD-UHFFFAOYSA-N 2 2 349.866 2.471 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COCc1ccccc1F ZINC000247220903 160315523 /nfs/dbraw/zinc/31/55/23/160315523.db2.gz YOGJESDARWDIHB-ZWKOTPCHSA-N 2 2 347.434 2.373 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COCc1ccccc1F ZINC000247220903 160315524 /nfs/dbraw/zinc/31/55/24/160315524.db2.gz YOGJESDARWDIHB-ZWKOTPCHSA-N 2 2 347.434 2.373 10 0 EEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000248214909 160340724 /nfs/dbraw/zinc/34/07/24/160340724.db2.gz ZLEFRGTZXHLTRJ-WMZOPIPTSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000248214909 160340726 /nfs/dbraw/zinc/34/07/26/160340726.db2.gz ZLEFRGTZXHLTRJ-WMZOPIPTSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248214909 160340728 /nfs/dbraw/zinc/34/07/28/160340728.db2.gz ZLEFRGTZXHLTRJ-WMZOPIPTSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248214909 160340730 /nfs/dbraw/zinc/34/07/30/160340730.db2.gz ZLEFRGTZXHLTRJ-WMZOPIPTSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](CCOCC(F)(F)C(F)F)CC1 ZINC000343065476 161099630 /nfs/dbraw/zinc/09/96/30/161099630.db2.gz ONZXPNMEBLICAF-UHFFFAOYSA-N 2 2 335.345 2.429 10 0 EEAELP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360328316 164284447 /nfs/dbraw/zinc/28/44/47/164284447.db2.gz FLVCWCBDMWPKEK-SJLPKXTDSA-N 2 2 338.517 2.311 10 0 EEAELP CCS(=O)(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360328316 164284450 /nfs/dbraw/zinc/28/44/50/164284450.db2.gz FLVCWCBDMWPKEK-SJLPKXTDSA-N 2 2 338.517 2.311 10 0 EEAELP Cc1cc(N2CCC[C@@H]([NH2+]Cc3c[nH+]c4c(C)cccn34)C2)n(C)n1 ZINC000364785691 165272280 /nfs/dbraw/zinc/27/22/80/165272280.db2.gz LYZXVWCUJAXNSD-MRXNPFEDSA-N 2 2 338.459 2.443 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376008499 167244041 /nfs/dbraw/zinc/24/40/41/167244041.db2.gz RZEUEEBHQBICCF-UHFFFAOYSA-N 2 2 326.444 2.478 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123226301 222239051 /nfs/dbraw/zinc/23/90/51/222239051.db2.gz UMUVPHFBSSPKNI-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123226301 222239053 /nfs/dbraw/zinc/23/90/53/222239053.db2.gz UMUVPHFBSSPKNI-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123226301 222239055 /nfs/dbraw/zinc/23/90/55/222239055.db2.gz UMUVPHFBSSPKNI-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccc(CN(C)C(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123226301 222239056 /nfs/dbraw/zinc/23/90/56/222239056.db2.gz UMUVPHFBSSPKNI-DOTOQJQBSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)COC1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189914367 274040142 /nfs/dbraw/zinc/04/01/42/274040142.db2.gz RJBSEXPKSFNOMF-QAPCUYQASA-N 2 2 345.443 2.079 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(Cc3c[nH+]c4ccc(Cl)cn34)[C@H]2C1 ZINC000293740650 293283844 /nfs/dbraw/zinc/28/38/44/293283844.db2.gz VRZXNPSRHHJINQ-JKSUJKDBSA-N 2 2 334.851 2.283 10 0 EEAELP CC[N@H+]1CC[C@H]2OCCN(Cc3c[nH+]c4ccc(Cl)cn34)[C@H]2C1 ZINC000293740650 293283845 /nfs/dbraw/zinc/28/38/45/293283845.db2.gz VRZXNPSRHHJINQ-JKSUJKDBSA-N 2 2 334.851 2.283 10 0 EEAELP CCc1[nH+]ccn1CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000158340526 311327284 /nfs/dbraw/zinc/32/72/84/311327284.db2.gz YJFIGCHUXCTUDM-MRXNPFEDSA-N 2 2 326.444 2.351 10 0 EEAELP C[NH2+]C[C@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000416938989 313367290 /nfs/dbraw/zinc/36/72/90/313367290.db2.gz MGIFHPHVKOOXQR-GFCCVEGCSA-N 2 2 335.839 2.129 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c2[nH+]ccn21 ZINC000514918922 316438135 /nfs/dbraw/zinc/43/81/35/316438135.db2.gz KXVWNDBPHHYTMC-ZBFHGGJFSA-N 2 2 331.464 2.406 10 0 EEAELP O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527808007 317267582 /nfs/dbraw/zinc/26/75/82/317267582.db2.gz OWIYOIPREGYUGQ-SFHVURJKSA-N 2 2 331.460 2.491 10 0 EEAELP O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527808007 317267585 /nfs/dbraw/zinc/26/75/85/317267585.db2.gz OWIYOIPREGYUGQ-SFHVURJKSA-N 2 2 331.460 2.491 10 0 EEAELP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@@H+]1CCCC[C@@H]1C ZINC000538706835 318042359 /nfs/dbraw/zinc/04/23/59/318042359.db2.gz GSEZPHMDOFZSGX-LSDHHAIUSA-N 2 2 327.432 2.260 10 0 EEAELP C[C@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[N@H+]1CCCC[C@@H]1C ZINC000538706835 318042362 /nfs/dbraw/zinc/04/23/62/318042362.db2.gz GSEZPHMDOFZSGX-LSDHHAIUSA-N 2 2 327.432 2.260 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](Cc2ccncc2)CC1 ZINC000544865368 318199120 /nfs/dbraw/zinc/19/91/20/318199120.db2.gz OPOVCWIOQMEXRT-UHFFFAOYSA-N 2 2 348.454 2.289 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(Cc2ccncc2)CC1 ZINC000544865368 318199122 /nfs/dbraw/zinc/19/91/22/318199122.db2.gz OPOVCWIOQMEXRT-UHFFFAOYSA-N 2 2 348.454 2.289 10 0 EEAELP C[N@H+](CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000545447826 318221383 /nfs/dbraw/zinc/22/13/83/318221383.db2.gz CUCKJANXPGGMCU-UHFFFAOYSA-N 2 2 327.432 2.262 10 0 EEAELP C[N@@H+](CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1)C1CCCCC1 ZINC000545447826 318221386 /nfs/dbraw/zinc/22/13/86/318221386.db2.gz CUCKJANXPGGMCU-UHFFFAOYSA-N 2 2 327.432 2.262 10 0 EEAELP CCOc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563811269 319045444 /nfs/dbraw/zinc/04/54/44/319045444.db2.gz WUEMUARJELBZER-HNAYVOBHSA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563811269 319045446 /nfs/dbraw/zinc/04/54/46/319045446.db2.gz WUEMUARJELBZER-HNAYVOBHSA-N 2 2 331.460 2.488 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000564667145 319099779 /nfs/dbraw/zinc/09/97/79/319099779.db2.gz RTCTZJJZNJXEGP-OAHLLOKOSA-N 2 2 331.460 2.108 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000564667145 319099780 /nfs/dbraw/zinc/09/97/80/319099780.db2.gz RTCTZJJZNJXEGP-OAHLLOKOSA-N 2 2 331.460 2.108 10 0 EEAELP C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000565828742 319218369 /nfs/dbraw/zinc/21/83/69/319218369.db2.gz FUCQGAQTGFQGCS-RRQGHBQHSA-N 2 2 326.868 2.462 10 0 EEAELP C[C@H](OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000565828742 319218371 /nfs/dbraw/zinc/21/83/71/319218371.db2.gz FUCQGAQTGFQGCS-RRQGHBQHSA-N 2 2 326.868 2.462 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566220205 319261458 /nfs/dbraw/zinc/26/14/58/319261458.db2.gz ILWBXNVRXWJBCX-ALKREAHSSA-N 2 2 347.478 2.111 10 0 EEAELP CNC(=O)[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566220205 319261460 /nfs/dbraw/zinc/26/14/60/319261460.db2.gz ILWBXNVRXWJBCX-ALKREAHSSA-N 2 2 347.478 2.111 10 0 EEAELP CCOC(=O)c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H](C[NH3+])C1)n2CC ZINC000566244679 319264442 /nfs/dbraw/zinc/26/44/42/319264442.db2.gz QRGXSSQMMJZQKC-CQSZACIVSA-N 2 2 344.459 2.404 10 0 EEAELP CCOC(=O)c1ccc2c(c1)nc(C[N@H+]1CCC[C@H](C[NH3+])C1)n2CC ZINC000566244679 319264443 /nfs/dbraw/zinc/26/44/43/319264443.db2.gz QRGXSSQMMJZQKC-CQSZACIVSA-N 2 2 344.459 2.404 10 0 EEAELP Clc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-n2cncn2)c1 ZINC000574276959 320011998 /nfs/dbraw/zinc/01/19/98/320011998.db2.gz KOQKQJRPXMZXGP-QGZVFWFLSA-N 2 2 331.851 2.496 10 0 EEAELP Clc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-n2cncn2)c1 ZINC000574276959 320012001 /nfs/dbraw/zinc/01/20/01/320012001.db2.gz KOQKQJRPXMZXGP-QGZVFWFLSA-N 2 2 331.851 2.496 10 0 EEAELP COc1ccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000576227974 320152760 /nfs/dbraw/zinc/15/27/60/320152760.db2.gz PEFRXNREFLGMEX-GOSISDBHSA-N 2 2 328.416 2.321 10 0 EEAELP COc1ccc(-c2noc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000576227974 320152762 /nfs/dbraw/zinc/15/27/62/320152762.db2.gz PEFRXNREFLGMEX-GOSISDBHSA-N 2 2 328.416 2.321 10 0 EEAELP c1csc(-c2noc(CCC[NH+]3CCN(c4[nH]cc[nH+]4)CC3)n2)c1 ZINC000576237924 320154021 /nfs/dbraw/zinc/15/40/21/320154021.db2.gz NQWAQDXBARHQLV-UHFFFAOYSA-N 2 2 344.444 2.276 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000580780970 324128690 /nfs/dbraw/zinc/12/86/90/324128690.db2.gz MIQLKHDUDARPSV-GXTWGEPZSA-N 2 2 331.794 2.186 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000580780970 324128693 /nfs/dbraw/zinc/12/86/93/324128693.db2.gz MIQLKHDUDARPSV-GXTWGEPZSA-N 2 2 331.794 2.186 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3(CCO)CCC3)c2cc1C ZINC000583204291 324616398 /nfs/dbraw/zinc/61/63/98/324616398.db2.gz GNSPCTCNAUXOPY-INIZCTEOSA-N 2 2 331.460 2.156 10 0 EEAELP CN(CC[C@@H]1CCCC[N@@H+]1C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000525705568 448014791 /nfs/dbraw/zinc/01/47/91/448014791.db2.gz VYLKNPHAOPOLBT-HNNXBMFYSA-N 2 2 343.475 2.345 10 0 EEAELP CN(CC[C@@H]1CCCC[N@H+]1C)c1nc(NCCO)c2ccccc2[nH+]1 ZINC000525705568 448014793 /nfs/dbraw/zinc/01/47/93/448014793.db2.gz VYLKNPHAOPOLBT-HNNXBMFYSA-N 2 2 343.475 2.345 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000601108662 449693991 /nfs/dbraw/zinc/69/39/91/449693991.db2.gz MDNKRPFZFJTIBH-HNNXBMFYSA-N 2 2 334.464 2.423 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(C)[nH+]1 ZINC000601108662 449693996 /nfs/dbraw/zinc/69/39/96/449693996.db2.gz MDNKRPFZFJTIBH-HNNXBMFYSA-N 2 2 334.464 2.423 10 0 EEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623394913 450513706 /nfs/dbraw/zinc/51/37/06/450513706.db2.gz XQKNDIOCZNXVPY-HNNXBMFYSA-N 2 2 348.495 2.104 10 0 EEAELP CC[N@H+]1CCC[C@H]1CNC(=O)NCCNc1cc(C)[nH+]c(C(C)C)n1 ZINC000623394913 450513710 /nfs/dbraw/zinc/51/37/10/450513710.db2.gz XQKNDIOCZNXVPY-HNNXBMFYSA-N 2 2 348.495 2.104 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000358401622 465102095 /nfs/dbraw/zinc/10/20/95/465102095.db2.gz NYRBJZXVVJUUSG-HYVNUMGLSA-N 2 2 333.476 2.144 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000358401622 465102098 /nfs/dbraw/zinc/10/20/98/465102098.db2.gz NYRBJZXVVJUUSG-HYVNUMGLSA-N 2 2 333.476 2.144 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000351520907 465200005 /nfs/dbraw/zinc/20/00/05/465200005.db2.gz IGCYQKBRPLNLNK-GOSISDBHSA-N 2 2 346.519 2.472 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000351520907 465200011 /nfs/dbraw/zinc/20/00/11/465200011.db2.gz IGCYQKBRPLNLNK-GOSISDBHSA-N 2 2 346.519 2.472 10 0 EEAELP CS[C@H]1CN(c2cc(C)[nH+]c(-c3ccncc3)n2)C[C@@H]1[NH+](C)C ZINC000347770557 465217610 /nfs/dbraw/zinc/21/76/10/465217610.db2.gz WENGALHGWXIBJI-GJZGRUSLSA-N 2 2 329.473 2.329 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-n4cc[nH+]c4)cc3C)[C@H]2C1 ZINC000339393472 465242642 /nfs/dbraw/zinc/24/26/42/465242642.db2.gz ISJXVXAWRHSBNH-VQTJNVASSA-N 2 2 340.471 2.476 10 0 EEAELP CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(-n4cc[nH+]c4)cc3C)[C@H]2C1 ZINC000339393472 465242647 /nfs/dbraw/zinc/24/26/47/465242647.db2.gz ISJXVXAWRHSBNH-VQTJNVASSA-N 2 2 340.471 2.476 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000337304081 465295024 /nfs/dbraw/zinc/29/50/24/465295024.db2.gz RZQDBLLCDMCOIB-KRWDZBQOSA-N 2 2 330.476 2.303 10 0 EEAELP Cn1cc[nH+]c1[C@@H](CC(=O)N1CCC[C@@H]1C[NH+](C)C)C(F)(F)F ZINC000521366664 468306829 /nfs/dbraw/zinc/30/68/29/468306829.db2.gz MJDGHAANURNNEK-VXGBXAGGSA-N 2 2 332.370 2.009 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000568245051 468307202 /nfs/dbraw/zinc/30/72/02/468307202.db2.gz BVNXCWPFZKVNGQ-LSWWBPAMSA-N 2 2 327.472 2.163 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000568245051 468307207 /nfs/dbraw/zinc/30/72/07/468307207.db2.gz BVNXCWPFZKVNGQ-LSWWBPAMSA-N 2 2 327.472 2.163 10 0 EEAELP CCC[C@@H](C(=O)OCC)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000114802871 462681784 /nfs/dbraw/zinc/68/17/84/462681784.db2.gz UDIPIRZMJBHZPL-KRWDZBQOSA-N 2 2 336.480 2.011 10 0 EEAELP CCC[C@@H](C(=O)OCC)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000114802871 462681786 /nfs/dbraw/zinc/68/17/86/462681786.db2.gz UDIPIRZMJBHZPL-KRWDZBQOSA-N 2 2 336.480 2.011 10 0 EEAELP CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccn(CCCn2cc[nH+]c2)n1 ZINC000075140691 462684858 /nfs/dbraw/zinc/68/48/58/462684858.db2.gz QOOUGHARMAAYSS-MRXNPFEDSA-N 2 2 344.463 2.373 10 0 EEAELP CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccn(CCCn2cc[nH+]c2)n1 ZINC000075140691 462684864 /nfs/dbraw/zinc/68/48/64/462684864.db2.gz QOOUGHARMAAYSS-MRXNPFEDSA-N 2 2 344.463 2.373 10 0 EEAELP CC(C)Cc1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000119638198 462918560 /nfs/dbraw/zinc/91/85/60/462918560.db2.gz SOJHKSMSGUVZAR-SJPCQFCGSA-N 2 2 347.507 2.011 10 0 EEAELP CC(C)Cc1noc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000119638198 462918563 /nfs/dbraw/zinc/91/85/63/462918563.db2.gz SOJHKSMSGUVZAR-SJPCQFCGSA-N 2 2 347.507 2.011 10 0 EEAELP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CCC[N@H+]3C)cn2c1 ZINC000139154633 463318695 /nfs/dbraw/zinc/31/86/95/463318695.db2.gz OYDGXZIXJNSWGT-HNNXBMFYSA-N 2 2 332.473 2.086 10 0 EEAELP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000069901856 463348870 /nfs/dbraw/zinc/34/88/70/463348870.db2.gz RKMURSNGPDDATH-INIZCTEOSA-N 2 2 342.443 2.301 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000123586032 463352937 /nfs/dbraw/zinc/35/29/37/463352937.db2.gz KBDFOADWMUPRJC-INIZCTEOSA-N 2 2 336.443 2.456 10 0 EEAELP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000123586032 463352942 /nfs/dbraw/zinc/35/29/42/463352942.db2.gz KBDFOADWMUPRJC-INIZCTEOSA-N 2 2 336.443 2.456 10 0 EEAELP Cc1cccn2c(C[NH2+][C@@H]3CCN(C(=O)C4CC4)C[C@H]3C)c[nH+]c12 ZINC000084247943 463588106 /nfs/dbraw/zinc/58/81/06/463588106.db2.gz QAFXVCUTEBZWDA-RHSMWYFYSA-N 2 2 326.444 2.379 10 0 EEAELP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1)C(C)C ZINC000058393850 463591426 /nfs/dbraw/zinc/59/14/26/463591426.db2.gz KPBFYIABZUBIAP-KRWDZBQOSA-N 2 2 347.503 2.367 10 0 EEAELP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCOCC2)cc1)C(C)C ZINC000058393850 463591429 /nfs/dbraw/zinc/59/14/29/463591429.db2.gz KPBFYIABZUBIAP-KRWDZBQOSA-N 2 2 347.503 2.367 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000268883911 463793829 /nfs/dbraw/zinc/79/38/29/463793829.db2.gz YNQMAQDLWOWRNI-HLAWJBBLSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000268883911 463793833 /nfs/dbraw/zinc/79/38/33/463793833.db2.gz YNQMAQDLWOWRNI-HLAWJBBLSA-N 3 2 345.531 2.333 10 0 EEAELP c1ccc(-c2noc([C@H]3COCC[N@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000261732926 463842946 /nfs/dbraw/zinc/84/29/46/463842946.db2.gz KIIDHVSMMGPQQB-MRXNPFEDSA-N 2 2 328.416 2.110 10 0 EEAELP c1ccc(-c2noc([C@H]3COCC[N@@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000261732926 463842950 /nfs/dbraw/zinc/84/29/50/463842950.db2.gz KIIDHVSMMGPQQB-MRXNPFEDSA-N 2 2 328.416 2.110 10 0 EEAELP [NH3+]CCN(CCc1ccccc1)Cc1[nH+]ccn1CC(F)(F)F ZINC000261825751 463871637 /nfs/dbraw/zinc/87/16/37/463871637.db2.gz UZAKSVCOKFSEBN-UHFFFAOYSA-N 2 2 326.366 2.449 10 0 EEAELP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000262038405 463931888 /nfs/dbraw/zinc/93/18/88/463931888.db2.gz YEJUZUUZMXWXTA-VNTMZGSJSA-N 2 2 329.488 2.008 10 0 EEAELP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000262038405 463931893 /nfs/dbraw/zinc/93/18/93/463931893.db2.gz YEJUZUUZMXWXTA-VNTMZGSJSA-N 2 2 329.488 2.008 10 0 EEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1 ZINC000262161771 463961827 /nfs/dbraw/zinc/96/18/27/463961827.db2.gz NJEAHXFCOKGKOD-WFASDCNBSA-N 2 2 339.892 2.208 10 0 EEAELP CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195272983 464027868 /nfs/dbraw/zinc/02/78/68/464027868.db2.gz CARXUZPRBPXFCB-IBGZPJMESA-N 2 2 344.503 2.094 10 0 EEAELP CC1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000195272983 464027871 /nfs/dbraw/zinc/02/78/71/464027871.db2.gz CARXUZPRBPXFCB-IBGZPJMESA-N 2 2 344.503 2.094 10 0 EEAELP CC1CCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000195272983 464027878 /nfs/dbraw/zinc/02/78/78/464027878.db2.gz CARXUZPRBPXFCB-IBGZPJMESA-N 2 2 344.503 2.094 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000186618635 464033206 /nfs/dbraw/zinc/03/32/06/464033206.db2.gz LCOHIYHARVTJOC-CQSZACIVSA-N 2 2 328.254 2.045 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cncc(Br)c1 ZINC000186618635 464033210 /nfs/dbraw/zinc/03/32/10/464033210.db2.gz LCOHIYHARVTJOC-CQSZACIVSA-N 2 2 328.254 2.045 10 0 EEAELP C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ncccn1 ZINC000180658351 464362058 /nfs/dbraw/zinc/36/20/58/464362058.db2.gz GSAYPQMCPCGAQU-KBPBESRZSA-N 2 2 336.399 2.340 10 0 EEAELP COCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180673613 464367281 /nfs/dbraw/zinc/36/72/81/464367281.db2.gz OAHINNBMMNHWKA-CABCVRRESA-N 2 2 330.432 2.064 10 0 EEAELP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000246462247 464587898 /nfs/dbraw/zinc/58/78/98/464587898.db2.gz WCFYHEWMMGIZOL-SQNIBIBYSA-N 2 2 342.487 2.241 10 0 EEAELP C[N@H+]1CCC[C@H]1CNC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000175719887 464609868 /nfs/dbraw/zinc/60/98/68/464609868.db2.gz RKWPUGAGHZYJCX-KRWDZBQOSA-N 2 2 341.459 2.019 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000298415934 465389315 /nfs/dbraw/zinc/38/93/15/465389315.db2.gz KWOVYFHFPCBHMN-RDJZCZTQSA-N 2 2 341.459 2.365 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)CC[NH+]1CCCC1 ZINC000348269162 465522966 /nfs/dbraw/zinc/52/29/66/465522966.db2.gz FECFNXSQZWTQQM-OAHLLOKOSA-N 2 2 341.459 2.431 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NC3CC([NH+]4CCCCC4)C3)cn21 ZINC000366313161 465647185 /nfs/dbraw/zinc/64/71/85/465647185.db2.gz PNTFAGWOCDWSSY-UHFFFAOYSA-N 2 2 341.459 2.459 10 0 EEAELP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[C@H](C)[N@H+]1C ZINC000330791497 465804549 /nfs/dbraw/zinc/80/45/49/465804549.db2.gz UBQBPWGWZIUZKO-TXEJJXNPSA-N 2 2 349.385 2.370 10 0 EEAELP C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C[C@H](C)[N@@H+]1C ZINC000330791497 465804557 /nfs/dbraw/zinc/80/45/57/465804557.db2.gz UBQBPWGWZIUZKO-TXEJJXNPSA-N 2 2 349.385 2.370 10 0 EEAELP Cc1cc(C)n2c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cnc2n1 ZINC000371469872 465817730 /nfs/dbraw/zinc/81/77/30/465817730.db2.gz HCIOPLDBBDBTFH-CGTJXYLNSA-N 2 2 343.475 2.030 10 0 EEAELP Cc1cc(C)n2c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cnc2n1 ZINC000371469872 465817739 /nfs/dbraw/zinc/81/77/39/465817739.db2.gz HCIOPLDBBDBTFH-CGTJXYLNSA-N 2 2 343.475 2.030 10 0 EEAELP C[NH+]1CCC(CNC(=O)[C@@H]2CCC(C)(C)O2)([NH+]2CCCCC2)CC1 ZINC000346116488 465935295 /nfs/dbraw/zinc/93/52/95/465935295.db2.gz RHWALBUAPAXHOU-INIZCTEOSA-N 2 2 337.508 2.011 10 0 EEAELP C[C@H]1CCCN(c2cc(NC[C@H](c3cnn(C)c3)[NH+](C)C)nc[nH+]2)C1 ZINC000301291198 465937997 /nfs/dbraw/zinc/93/79/97/465937997.db2.gz PGHVCNVPTAJQMQ-GOEBONIOSA-N 2 2 343.479 2.161 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000372168610 466201896 /nfs/dbraw/zinc/20/18/96/466201896.db2.gz HEFIUPCQPCCJSF-QGZVFWFLSA-N 2 2 343.427 2.232 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)C2 ZINC000372402720 466355308 /nfs/dbraw/zinc/35/53/08/466355308.db2.gz YBVRWEHIXOXDCU-CKEIUWERSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C2 ZINC000372402720 466355316 /nfs/dbraw/zinc/35/53/16/466355316.db2.gz YBVRWEHIXOXDCU-CKEIUWERSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)CC2 ZINC000372402720 466355320 /nfs/dbraw/zinc/35/53/20/466355320.db2.gz YBVRWEHIXOXDCU-CKEIUWERSA-N 2 2 332.492 2.437 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)CC2 ZINC000372402720 466355325 /nfs/dbraw/zinc/35/53/25/466355325.db2.gz YBVRWEHIXOXDCU-CKEIUWERSA-N 2 2 332.492 2.437 10 0 EEAELP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(C)(F)F ZINC000340825595 466365710 /nfs/dbraw/zinc/36/57/10/466365710.db2.gz OKNOQKKUKZPHMN-CQSZACIVSA-N 2 2 331.451 2.344 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CC[C@H](C[NH+]3CCCC3)C1)CCC2 ZINC000332677801 466551149 /nfs/dbraw/zinc/55/11/49/466551149.db2.gz DSJCJLVXMIEXJG-IAGOWNOFSA-N 2 2 345.491 2.196 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000332691585 466551948 /nfs/dbraw/zinc/55/19/48/466551948.db2.gz SVRWMKSEZXQOLS-XHSDSOJGSA-N 2 2 331.464 2.029 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCCn2cc[nH+]c21 ZINC000332691585 466551955 /nfs/dbraw/zinc/55/19/55/466551955.db2.gz SVRWMKSEZXQOLS-XHSDSOJGSA-N 2 2 331.464 2.029 10 0 EEAELP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000341096875 466580611 /nfs/dbraw/zinc/58/06/11/466580611.db2.gz AHWKFRIZZWDDEC-UHFFFAOYSA-N 2 2 333.461 2.179 10 0 EEAELP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nc2c(s1)CCCC2 ZINC000341096875 466580616 /nfs/dbraw/zinc/58/06/16/466580616.db2.gz AHWKFRIZZWDDEC-UHFFFAOYSA-N 2 2 333.461 2.179 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000341114547 466595415 /nfs/dbraw/zinc/59/54/15/466595415.db2.gz NNRLBJYTGIJCEU-GASCZTMLSA-N 2 2 333.480 2.210 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000341114547 466595425 /nfs/dbraw/zinc/59/54/25/466595425.db2.gz NNRLBJYTGIJCEU-GASCZTMLSA-N 2 2 333.480 2.210 10 0 EEAELP CC(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368514158 466655301 /nfs/dbraw/zinc/65/53/01/466655301.db2.gz LIRYRGTWGDBDNI-HNNXBMFYSA-N 2 2 339.505 2.222 10 0 EEAELP CC(C)S(=O)(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000368514158 466655304 /nfs/dbraw/zinc/65/53/04/466655304.db2.gz LIRYRGTWGDBDNI-HNNXBMFYSA-N 2 2 339.505 2.222 10 0 EEAELP C[C@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000368516988 466656335 /nfs/dbraw/zinc/65/63/35/466656335.db2.gz WTRDOMXUKAULCQ-WMZOPIPTSA-N 2 2 345.487 2.049 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625244 466679046 /nfs/dbraw/zinc/67/90/46/466679046.db2.gz BATDHRZNLVFGGD-RDBSUJKOSA-N 2 2 337.430 2.339 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625244 466679052 /nfs/dbraw/zinc/67/90/52/466679052.db2.gz BATDHRZNLVFGGD-RDBSUJKOSA-N 2 2 337.430 2.339 10 0 EEAELP FC(F)(F)c1csc(CC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)n1 ZINC000422813119 466683919 /nfs/dbraw/zinc/68/39/19/466683919.db2.gz XLGKWQKYJCQWBI-ZWNOBZJWSA-N 2 2 335.395 2.061 10 0 EEAELP Clc1cccc2c1CCN(CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)C2 ZINC000423053275 466689966 /nfs/dbraw/zinc/68/99/66/466689966.db2.gz AGLVHZZZBNQCEB-MOPGFXCFSA-N 2 2 349.906 2.055 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)c1 ZINC000373150238 466708222 /nfs/dbraw/zinc/70/82/22/466708222.db2.gz DECXYCAYQJYGKZ-UHFFFAOYSA-N 2 2 345.487 2.009 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)C2([NH+]3CCOCC3)CCC2)c1 ZINC000373150238 466708227 /nfs/dbraw/zinc/70/82/27/466708227.db2.gz DECXYCAYQJYGKZ-UHFFFAOYSA-N 2 2 345.487 2.009 10 0 EEAELP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[NH+]2CCC1CC2 ZINC000370534413 466914065 /nfs/dbraw/zinc/91/40/65/466914065.db2.gz SZXWXZIFWIMESL-UHFFFAOYSA-N 2 2 343.406 2.001 10 0 EEAELP C[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417916659 466984282 /nfs/dbraw/zinc/98/42/82/466984282.db2.gz AAMGVYINAXGKMF-HUUCEWRRSA-N 2 2 342.846 2.133 10 0 EEAELP C[NH2+]CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417916659 466984283 /nfs/dbraw/zinc/98/42/83/466984283.db2.gz AAMGVYINAXGKMF-HUUCEWRRSA-N 2 2 342.846 2.133 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417944122 466997317 /nfs/dbraw/zinc/99/73/17/466997317.db2.gz PPBDBFHWJYVZBU-CHPZLBCBSA-N 2 2 342.846 2.259 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417944122 466997323 /nfs/dbraw/zinc/99/73/23/466997323.db2.gz PPBDBFHWJYVZBU-CHPZLBCBSA-N 2 2 342.846 2.259 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)c1cccc(F)c1 ZINC000378104434 467199290 /nfs/dbraw/zinc/19/92/90/467199290.db2.gz VWMFRXHMOPCDRX-YOEHRIQHSA-N 2 2 345.422 2.008 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)c1cccc(F)c1 ZINC000378104434 467199293 /nfs/dbraw/zinc/19/92/93/467199293.db2.gz VWMFRXHMOPCDRX-YOEHRIQHSA-N 2 2 345.422 2.008 10 0 EEAELP CN(C)c1[nH+]cc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)n1C ZINC000419695060 467237760 /nfs/dbraw/zinc/23/77/60/467237760.db2.gz LXAQQRCLGJCSJV-UHFFFAOYSA-N 2 2 347.894 2.287 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429027479 467292973 /nfs/dbraw/zinc/29/29/73/467292973.db2.gz ZUEKOMKNXWZLFL-OXQOHEQNSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000429027479 467292976 /nfs/dbraw/zinc/29/29/76/467292976.db2.gz ZUEKOMKNXWZLFL-OXQOHEQNSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429027479 467292980 /nfs/dbraw/zinc/29/29/80/467292980.db2.gz ZUEKOMKNXWZLFL-OXQOHEQNSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429027479 467292982 /nfs/dbraw/zinc/29/29/82/467292982.db2.gz ZUEKOMKNXWZLFL-OXQOHEQNSA-N 2 2 329.488 2.454 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378635974 467361390 /nfs/dbraw/zinc/36/13/90/467361390.db2.gz HYFOXJPOGNFXRZ-MRXNPFEDSA-N 2 2 343.475 2.272 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378635974 467361395 /nfs/dbraw/zinc/36/13/95/467361395.db2.gz HYFOXJPOGNFXRZ-MRXNPFEDSA-N 2 2 343.475 2.272 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407456 467397841 /nfs/dbraw/zinc/39/78/41/467397841.db2.gz VJQBFMWLWLYAPA-LSDHHAIUSA-N 2 2 349.441 2.497 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407456 467397845 /nfs/dbraw/zinc/39/78/45/467397845.db2.gz VJQBFMWLWLYAPA-LSDHHAIUSA-N 2 2 349.441 2.497 10 0 EEAELP CC1=C[C@@H](C)C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430283835 467417989 /nfs/dbraw/zinc/41/79/89/467417989.db2.gz LKEPJVRXQQPADK-MRXNPFEDSA-N 2 2 328.460 2.018 10 0 EEAELP CC1=C[C@@H](C)C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000430283835 467417992 /nfs/dbraw/zinc/41/79/92/467417992.db2.gz LKEPJVRXQQPADK-MRXNPFEDSA-N 2 2 328.460 2.018 10 0 EEAELP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000449092377 467617341 /nfs/dbraw/zinc/61/73/41/467617341.db2.gz LRJHNQZUCQGDJC-GHTZIAJQSA-N 3 2 345.531 2.128 10 0 EEAELP COc1nccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000449169057 467621974 /nfs/dbraw/zinc/62/19/74/467621974.db2.gz FQSYXBHVDDTCTH-WBVHZDCISA-N 2 2 326.444 2.485 10 0 EEAELP COc1nccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000449169057 467621976 /nfs/dbraw/zinc/62/19/76/467621976.db2.gz FQSYXBHVDDTCTH-WBVHZDCISA-N 2 2 326.444 2.485 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000528918148 467777594 /nfs/dbraw/zinc/77/75/94/467777594.db2.gz IQMLJALIEYAFCC-WBVHZDCISA-N 2 2 332.835 2.407 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000528918148 467777598 /nfs/dbraw/zinc/77/75/98/467777598.db2.gz IQMLJALIEYAFCC-WBVHZDCISA-N 2 2 332.835 2.407 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(N2CCCS2(=O)=O)c1 ZINC000530223648 467964960 /nfs/dbraw/zinc/96/49/60/467964960.db2.gz UCZPWQACNLRWBC-RHSMWYFYSA-N 2 2 349.500 2.162 10 0 EEAELP C/C=C/c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000516645960 468039306 /nfs/dbraw/zinc/03/93/06/468039306.db2.gz YAZWQZKECAIWCX-JSYWMUGDSA-N 2 2 334.460 2.152 10 0 EEAELP C/C=C/c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+]2C)c(OC)c1 ZINC000516645960 468039308 /nfs/dbraw/zinc/03/93/08/468039308.db2.gz YAZWQZKECAIWCX-JSYWMUGDSA-N 2 2 334.460 2.152 10 0 EEAELP Cc1nc(N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490103612 468196350 /nfs/dbraw/zinc/19/63/50/468196350.db2.gz ULVIKIIWNROENG-KRWDZBQOSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1nc(N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000490103612 468196353 /nfs/dbraw/zinc/19/63/53/468196353.db2.gz ULVIKIIWNROENG-KRWDZBQOSA-N 2 2 340.475 2.347 10 0 EEAELP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000567849017 468222406 /nfs/dbraw/zinc/22/24/06/468222406.db2.gz IVUYRVORBYABDW-PKOBYXMFSA-N 2 2 333.451 2.201 10 0 EEAELP C[C@@]1(F)C[NH2+]CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000567849017 468222408 /nfs/dbraw/zinc/22/24/08/468222408.db2.gz IVUYRVORBYABDW-PKOBYXMFSA-N 2 2 333.451 2.201 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@@H](C)S(C)(=O)=O)c(C)c1 ZINC000578759833 468254019 /nfs/dbraw/zinc/25/40/19/468254019.db2.gz MDZDUKOZPWCIDJ-WBVHZDCISA-N 2 2 335.473 2.264 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC000601334765 468830854 /nfs/dbraw/zinc/83/08/54/468830854.db2.gz NLIDQNVSUSVPST-NVXWUHKLSA-N 2 2 344.459 2.025 10 0 EEAELP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c(C)c1 ZINC000601334765 468830856 /nfs/dbraw/zinc/83/08/56/468830856.db2.gz NLIDQNVSUSVPST-NVXWUHKLSA-N 2 2 344.459 2.025 10 0 EEAELP C[N@@H+]1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)[C@@H](C[NH3+])C1 ZINC000573223614 469087385 /nfs/dbraw/zinc/08/73/85/469087385.db2.gz QCJIKWWPHXEIGQ-JKSUJKDBSA-N 2 2 336.867 2.075 10 0 EEAELP C[N@H+]1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)[C@@H](C[NH3+])C1 ZINC000573223614 469087390 /nfs/dbraw/zinc/08/73/90/469087390.db2.gz QCJIKWWPHXEIGQ-JKSUJKDBSA-N 2 2 336.867 2.075 10 0 EEAELP C[C@H](CC[N@@H+]1CC[C@H](OC(F)F)C1)[NH+]1CC[C@H](OC(F)F)C1 ZINC000573508387 469149743 /nfs/dbraw/zinc/14/97/43/469149743.db2.gz ODOHZPAGLMWEDP-WOPDTQHZSA-N 2 2 328.350 2.392 10 0 EEAELP C[C@H](CC[N@H+]1CC[C@H](OC(F)F)C1)[NH+]1CC[C@H](OC(F)F)C1 ZINC000573508387 469149751 /nfs/dbraw/zinc/14/97/51/469149751.db2.gz ODOHZPAGLMWEDP-WOPDTQHZSA-N 2 2 328.350 2.392 10 0 EEAELP C[C@H](CC[NH+]1CC[C@H](OC(F)F)C1)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000573508387 469149757 /nfs/dbraw/zinc/14/97/57/469149757.db2.gz ODOHZPAGLMWEDP-WOPDTQHZSA-N 2 2 328.350 2.392 10 0 EEAELP C[C@H](CC[NH+]1CC[C@H](OC(F)F)C1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000573508387 469149763 /nfs/dbraw/zinc/14/97/63/469149763.db2.gz ODOHZPAGLMWEDP-WOPDTQHZSA-N 2 2 328.350 2.392 10 0 EEAELP C[C@@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[N@@H+]1CCC[C@H](C)C1 ZINC000588968754 469183935 /nfs/dbraw/zinc/18/39/35/469183935.db2.gz BBYZOGLCLQQRRB-GJZGRUSLSA-N 2 2 333.480 2.139 10 0 EEAELP C[C@@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[N@H+]1CCC[C@H](C)C1 ZINC000588968754 469183942 /nfs/dbraw/zinc/18/39/42/469183942.db2.gz BBYZOGLCLQQRRB-GJZGRUSLSA-N 2 2 333.480 2.139 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000563338405 469231519 /nfs/dbraw/zinc/23/15/19/469231519.db2.gz JXEBZBYAVBGGHA-TZMCWYRMSA-N 2 2 349.784 2.325 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000563338405 469231524 /nfs/dbraw/zinc/23/15/24/469231524.db2.gz JXEBZBYAVBGGHA-TZMCWYRMSA-N 2 2 349.784 2.325 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(C)c1 ZINC000629585182 469585411 /nfs/dbraw/zinc/58/54/11/469585411.db2.gz MJBAKQLRVIDSGS-OYRHEFFESA-N 2 2 343.515 2.202 10 0 EEAELP Cc1cc(C)c(CCNC(=O)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(C)c1 ZINC000629585182 469585415 /nfs/dbraw/zinc/58/54/15/469585415.db2.gz MJBAKQLRVIDSGS-OYRHEFFESA-N 2 2 343.515 2.202 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC[C@H]3CCCOC3)c2cc1C ZINC000629587111 469585897 /nfs/dbraw/zinc/58/58/97/469585897.db2.gz YFEWGBUAONEZBR-SJORKVTESA-N 2 2 331.460 2.420 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623359530 469634194 /nfs/dbraw/zinc/63/41/94/469634194.db2.gz VJLPONQWBQNYCA-GOSISDBHSA-N 3 2 345.535 2.186 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623359530 469634202 /nfs/dbraw/zinc/63/42/02/469634202.db2.gz VJLPONQWBQNYCA-GOSISDBHSA-N 3 2 345.535 2.186 10 0 EEAELP Cc1[nH+]cc(C[NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)n1C ZINC000623655322 469724866 /nfs/dbraw/zinc/72/48/66/469724866.db2.gz UVVFZRMUMSJPEL-KRWDZBQOSA-N 2 2 334.851 2.377 10 0 EEAELP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000623816177 469769502 /nfs/dbraw/zinc/76/95/02/469769502.db2.gz ZPMQPFPVHUFGPX-UONOGXRCSA-N 2 2 331.401 2.245 10 0 EEAELP O=C1[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCN1C1CCC1 ZINC000623842624 469776484 /nfs/dbraw/zinc/77/64/84/469776484.db2.gz RPNXAOMXYJOPFG-AWEZNQCLSA-N 2 2 333.398 2.146 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1OC1CCC1 ZINC000617766280 469797052 /nfs/dbraw/zinc/79/70/52/469797052.db2.gz DWYHISLOIAIGSD-UHFFFAOYSA-N 2 2 333.476 2.231 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1OC1CCC1 ZINC000617766280 469797057 /nfs/dbraw/zinc/79/70/57/469797057.db2.gz DWYHISLOIAIGSD-UHFFFAOYSA-N 2 2 333.476 2.231 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000617768448 469798888 /nfs/dbraw/zinc/79/88/88/469798888.db2.gz DOPMWLWBVRMQGI-UHFFFAOYSA-N 2 2 347.381 2.199 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000617768448 469798891 /nfs/dbraw/zinc/79/88/91/469798891.db2.gz DOPMWLWBVRMQGI-UHFFFAOYSA-N 2 2 347.381 2.199 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)CSc1ccc(F)c(F)c1 ZINC000617768917 469798924 /nfs/dbraw/zinc/79/89/24/469798924.db2.gz YTEKYPJLTSUQEI-UHFFFAOYSA-N 2 2 345.459 2.057 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CSc1ccc(F)c(F)c1 ZINC000617768917 469798929 /nfs/dbraw/zinc/79/89/29/469798929.db2.gz YTEKYPJLTSUQEI-UHFFFAOYSA-N 2 2 345.459 2.057 10 0 EEAELP Cn1nccc1[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000624020146 469818820 /nfs/dbraw/zinc/81/88/20/469818820.db2.gz JBERXTUQIPUFFH-OKYOBFRVSA-N 2 2 340.471 2.239 10 0 EEAELP Cn1nccc1[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000624020146 469818822 /nfs/dbraw/zinc/81/88/22/469818822.db2.gz JBERXTUQIPUFFH-OKYOBFRVSA-N 2 2 340.471 2.239 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)CC2 ZINC000625190639 470092443 /nfs/dbraw/zinc/09/24/43/470092443.db2.gz CDVPXYBNIRLMMF-IRXDYDNUSA-N 2 2 330.476 2.231 10 0 EEAELP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nnc(C4CC4)s3)CC2)CC1 ZINC000625274145 470110075 /nfs/dbraw/zinc/11/00/75/470110075.db2.gz BXJMQIFEKLBHGN-UHFFFAOYSA-N 2 2 349.548 2.406 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCCSc1ccccc1 ZINC000631886200 470189494 /nfs/dbraw/zinc/18/94/94/470189494.db2.gz HRIKIOIOMBVRMW-FUHWJXTLSA-N 2 2 347.528 2.359 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)NCCCSc1ccccc1 ZINC000631886200 470189495 /nfs/dbraw/zinc/18/94/95/470189495.db2.gz HRIKIOIOMBVRMW-FUHWJXTLSA-N 2 2 347.528 2.359 10 0 EEAELP CC[C@H](C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000634642588 470273433 /nfs/dbraw/zinc/27/34/33/470273433.db2.gz NASKKTPOAOPASL-HKBOAZHASA-N 2 2 346.515 2.325 10 0 EEAELP CC[C@H](C[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000634642588 470273435 /nfs/dbraw/zinc/27/34/35/470273435.db2.gz NASKKTPOAOPASL-HKBOAZHASA-N 2 2 346.515 2.325 10 0 EEAELP CC[C@H]1C[N@H+](C)CCCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632822115 470274883 /nfs/dbraw/zinc/27/48/83/470274883.db2.gz VTZONXGHEVMZKA-KRWDZBQOSA-N 2 2 326.444 2.358 10 0 EEAELP CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000632822115 470274885 /nfs/dbraw/zinc/27/48/85/470274885.db2.gz VTZONXGHEVMZKA-KRWDZBQOSA-N 2 2 326.444 2.358 10 0 EEAELP CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000633136041 470359989 /nfs/dbraw/zinc/35/99/89/470359989.db2.gz DBFLWCRINMWBEP-INIZCTEOSA-N 2 2 345.491 2.176 10 0 EEAELP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633197049 470381372 /nfs/dbraw/zinc/38/13/72/470381372.db2.gz OPIBADFKPVVYIJ-QZTJIDSGSA-N 2 2 340.427 2.012 10 0 EEAELP C[N@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000633197049 470381378 /nfs/dbraw/zinc/38/13/78/470381378.db2.gz OPIBADFKPVVYIJ-QZTJIDSGSA-N 2 2 340.427 2.012 10 0 EEAELP CC(C)(C[NH+]1CCCC1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633366672 470441021 /nfs/dbraw/zinc/44/10/21/470441021.db2.gz AICUEOBGAWQJLP-UHFFFAOYSA-N 2 2 326.444 2.405 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000649393473 470572124 /nfs/dbraw/zinc/57/21/24/470572124.db2.gz UWQFAZPCUOOHDD-SFHVURJKSA-N 2 2 343.471 2.142 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000649393473 470572130 /nfs/dbraw/zinc/57/21/30/470572130.db2.gz UWQFAZPCUOOHDD-SFHVURJKSA-N 2 2 343.471 2.142 10 0 EEAELP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000643064084 470608525 /nfs/dbraw/zinc/60/85/25/470608525.db2.gz FLKDSQNXSLMNAK-RWOIVKFCSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000643064084 470608529 /nfs/dbraw/zinc/60/85/29/470608529.db2.gz FLKDSQNXSLMNAK-RWOIVKFCSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646378869 470621674 /nfs/dbraw/zinc/62/16/74/470621674.db2.gz LYGDNHCRWLPRTM-JKSUJKDBSA-N 2 2 339.443 2.119 10 0 EEAELP Fc1cccc(Cc2nnc3n2CC[N@@H+](CCCn2cc[nH+]c2)C3)c1 ZINC000649653761 470654775 /nfs/dbraw/zinc/65/47/75/470654775.db2.gz OKEBCVLLVJVXQB-UHFFFAOYSA-N 2 2 340.406 2.110 10 0 EEAELP Fc1cccc(Cc2nnc3n2CC[N@H+](CCCn2cc[nH+]c2)C3)c1 ZINC000649653761 470654782 /nfs/dbraw/zinc/65/47/82/470654782.db2.gz OKEBCVLLVJVXQB-UHFFFAOYSA-N 2 2 340.406 2.110 10 0 EEAELP O=S1(=O)CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647169394 470847631 /nfs/dbraw/zinc/84/76/31/470847631.db2.gz LPQRQFANZUYQFX-MSOLQXFVSA-N 2 2 348.512 2.208 10 0 EEAELP O=S1(=O)CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647169394 470847636 /nfs/dbraw/zinc/84/76/36/470847636.db2.gz LPQRQFANZUYQFX-MSOLQXFVSA-N 2 2 348.512 2.208 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899302 471010563 /nfs/dbraw/zinc/01/05/63/471010563.db2.gz GAXXEKPAUIUSJF-AEFFLSMTSA-N 2 2 349.906 2.463 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899302 471010565 /nfs/dbraw/zinc/01/05/65/471010565.db2.gz GAXXEKPAUIUSJF-AEFFLSMTSA-N 2 2 349.906 2.463 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899735 471010837 /nfs/dbraw/zinc/01/08/37/471010837.db2.gz UJFVSDSUZQLDIT-NXHRZFHOSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899735 471010841 /nfs/dbraw/zinc/01/08/41/471010841.db2.gz UJFVSDSUZQLDIT-NXHRZFHOSA-N 2 2 327.472 2.428 10 0 EEAELP CN(CC[N@H+](C)C1CCCCC1)C(=O)Cc1cn2c([nH+]1)CCCC2 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OEDKGDCWYFKQDO-YOEHRIQHSA-N 2 2 344.459 2.105 10 0 EEAELP C[N@@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)C1 ZINC001268613857 1183523081 /nfs/dbraw/zinc/52/30/81/1183523081.db2.gz QQTKYIOOSLNBRW-NFAHFFEMSA-N 2 2 348.491 2.076 10 0 EEAELP C[N@H+]1CC[C@@H](CC(=O)NC/C=C/C[NH2+]Cc2cc(C(C)(C)C)on2)C1 ZINC001268613857 1183523082 /nfs/dbraw/zinc/52/30/82/1183523082.db2.gz QQTKYIOOSLNBRW-NFAHFFEMSA-N 2 2 348.491 2.076 10 0 EEAELP C[C@H](C[NH2+]CCC[C@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268650884 1183580180 /nfs/dbraw/zinc/58/01/80/1183580180.db2.gz CAGGOXKHFYEOSJ-KGLIPLIRSA-N 2 2 330.432 2.088 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccccc1Cl)NC(=O)Cc1[nH]cc[nH+]1 ZINC001268708057 1183626698 /nfs/dbraw/zinc/62/66/98/1183626698.db2.gz TUEYWIHMKSDNSI-ZDUSSCGKSA-N 2 2 334.851 2.333 10 0 EEAELP CC[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CCOC1CCC1 ZINC001269173540 1184029357 /nfs/dbraw/zinc/02/93/57/1184029357.db2.gz AOQWMPSIEDUKTH-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1nsc2ccccc12 ZINC001269514953 1184336700 /nfs/dbraw/zinc/33/67/00/1184336700.db2.gz BXWGIIYIEMOIIJ-CYBMUJFWSA-N 2 2 343.456 2.177 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C[NH2+]CCc1ccccc1 ZINC001270436630 1185097919 /nfs/dbraw/zinc/09/79/19/1185097919.db2.gz PSEURSZCALCLHI-AEFFLSMTSA-N 2 2 340.471 2.030 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001482340505 1185440290 /nfs/dbraw/zinc/44/02/90/1185440290.db2.gz HUYRNKASFPEBDH-STQMWFEESA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001482340505 1185440293 /nfs/dbraw/zinc/44/02/93/1185440293.db2.gz HUYRNKASFPEBDH-STQMWFEESA-N 2 2 349.504 2.032 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1 ZINC001271136282 1185954269 /nfs/dbraw/zinc/95/42/69/1185954269.db2.gz CWNFBMIQYFGOJU-HZPDHXFCSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)[C@H](C)C[NH2+]CCc1ccccc1 ZINC001271136282 1185954273 /nfs/dbraw/zinc/95/42/73/1185954273.db2.gz CWNFBMIQYFGOJU-HZPDHXFCSA-N 2 2 328.460 2.268 10 0 EEAELP CN(CC[N@H+](C)CCC[C@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001482613227 1187393802 /nfs/dbraw/zinc/39/38/02/1187393802.db2.gz CFVXVWQVULYTFC-INIZCTEOSA-N 2 2 344.459 2.155 10 0 EEAELP CN(CC[N@@H+](C)CCC[C@H]1CCOC1)C(=O)c1cccc2[nH+]ccn21 ZINC001482613227 1187393807 /nfs/dbraw/zinc/39/38/07/1187393807.db2.gz CFVXVWQVULYTFC-INIZCTEOSA-N 2 2 344.459 2.155 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C\Cl)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482844885 1187763965 /nfs/dbraw/zinc/76/39/65/1187763965.db2.gz HVHNXXYFUCDSBX-LZEMIWRJSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001482858941 1187781067 /nfs/dbraw/zinc/78/10/67/1187781067.db2.gz FBPKSWSVBWFVNL-OAHLLOKOSA-N 2 2 332.423 2.405 10 0 EEAELP Cc1nc(C)c(C[NH2+]C/C=C/CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001483069480 1188415675 /nfs/dbraw/zinc/41/56/75/1188415675.db2.gz RYDLSDSGPMIRBQ-ZYOFXKKJSA-N 2 2 347.488 2.124 10 0 EEAELP Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)[C@@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001483069479 1188416264 /nfs/dbraw/zinc/41/62/64/1188416264.db2.gz RYDLSDSGPMIRBQ-RXNFCKPNSA-N 2 2 347.488 2.124 10 0 EEAELP C[C@@H](CC[NH2+]Cc1c(F)cccc1F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001272824133 1193563274 /nfs/dbraw/zinc/56/32/74/1193563274.db2.gz VQKSMPOKAKEJGH-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001272874562 1193587651 /nfs/dbraw/zinc/58/76/51/1193587651.db2.gz XANUQPPTRGYVET-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP COc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc2c[nH+]cn2C)c1 ZINC001409455346 1189704597 /nfs/dbraw/zinc/70/45/97/1189704597.db2.gz HTZCFVLLLCOQML-LSDHHAIUSA-N 2 2 344.459 2.044 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001483234683 1189731605 /nfs/dbraw/zinc/73/16/05/1189731605.db2.gz OGKQHMALNPCRDX-ZDUSSCGKSA-N 2 2 325.416 2.118 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001483234683 1189731610 /nfs/dbraw/zinc/73/16/10/1189731610.db2.gz OGKQHMALNPCRDX-ZDUSSCGKSA-N 2 2 325.416 2.118 10 0 EEAELP C[C@@H](CN(C)C(=O)c1cccc2[nH+]ccn21)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC001485899912 1193644482 /nfs/dbraw/zinc/64/44/82/1193644482.db2.gz LZCZEVAEKSAWAY-LSDHHAIUSA-N 2 2 344.459 2.200 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001485929784 1193649217 /nfs/dbraw/zinc/64/92/17/1193649217.db2.gz DSZKHOUDHVETNS-GOEBONIOSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N(C)CCC[NH2+]Cc3ocnc3C)ccn12 ZINC001483465764 1190489522 /nfs/dbraw/zinc/48/95/22/1190489522.db2.gz PELZNOQEJIKSFC-UHFFFAOYSA-N 2 2 341.415 2.191 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N3CC[C@@H]([NH2+]CCOC(C)C)[C@H]3C)ccn12 ZINC001486077953 1193681917 /nfs/dbraw/zinc/68/19/17/1193681917.db2.gz CFUCUCGLSSIMDU-NVXWUHKLSA-N 2 2 344.459 2.260 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]Cc2ccccc2F)C1 ZINC001272511449 1190861290 /nfs/dbraw/zinc/86/12/90/1190861290.db2.gz BNKMWODYPURUFG-MRXNPFEDSA-N 2 2 344.434 2.441 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([N@H+](CCF)CC2CC2)CC1 ZINC001483816868 1191061103 /nfs/dbraw/zinc/06/11/03/1191061103.db2.gz QTWDORUREIXIQY-HZPDHXFCSA-N 2 2 334.439 2.186 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH]c[nH+]1)N1CCC([N@@H+](CCF)CC2CC2)CC1 ZINC001483816868 1191061105 /nfs/dbraw/zinc/06/11/05/1191061105.db2.gz QTWDORUREIXIQY-HZPDHXFCSA-N 2 2 334.439 2.186 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([N@H+](CCF)CC2CC2)CC1 ZINC001483816868 1191061106 /nfs/dbraw/zinc/06/11/06/1191061106.db2.gz QTWDORUREIXIQY-HZPDHXFCSA-N 2 2 334.439 2.186 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC([N@@H+](CCF)CC2CC2)CC1 ZINC001483816868 1191061108 /nfs/dbraw/zinc/06/11/08/1191061108.db2.gz QTWDORUREIXIQY-HZPDHXFCSA-N 2 2 334.439 2.186 10 0 EEAELP C[C@@H](CC(=O)N(C)C1C[NH+](C[C@H]2CCC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001483881286 1191105398 /nfs/dbraw/zinc/10/53/98/1191105398.db2.gz DWENUYHMHHUZQD-KBPBESRZSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1C[N@H+](CC2CC2)CCC1(F)F)n1cc[nH+]c1 ZINC001484195191 1191267695 /nfs/dbraw/zinc/26/76/95/1191267695.db2.gz FCKNPLMSTUZVQF-DZGCQCFKSA-N 2 2 340.418 2.318 10 0 EEAELP C[C@@H](CC(=O)NC[C@@H]1C[N@@H+](CC2CC2)CCC1(F)F)n1cc[nH+]c1 ZINC001484195191 1191267696 /nfs/dbraw/zinc/26/76/96/1191267696.db2.gz FCKNPLMSTUZVQF-DZGCQCFKSA-N 2 2 340.418 2.318 10 0 EEAELP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CCOC2CCC2)C1)c1c[nH+]c[nH]1 ZINC001484546961 1191408438 /nfs/dbraw/zinc/40/84/38/1191408438.db2.gz LPESTRSEYCMCAA-HNNXBMFYSA-N 2 2 348.491 2.085 10 0 EEAELP CC(C)(C(=O)N1CCC(C)([NH2+]CC[C@@H]2CCCO2)CC1)c1c[nH+]c[nH]1 ZINC001484926451 1191573548 /nfs/dbraw/zinc/57/35/48/1191573548.db2.gz CTBYUMBIZCMOSD-HNNXBMFYSA-N 2 2 348.491 2.227 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001485104095 1191652830 /nfs/dbraw/zinc/65/28/30/1191652830.db2.gz VGDCTRASUGMPLU-BZOOQXSSSA-N 2 2 344.434 2.412 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]Cc2ccc(F)cc2)C1 ZINC001485104095 1191652831 /nfs/dbraw/zinc/65/28/31/1191652831.db2.gz VGDCTRASUGMPLU-BZOOQXSSSA-N 2 2 344.434 2.412 10 0 EEAELP CCOCC[NH2+]C1CCC(N(C)C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001485239675 1191705818 /nfs/dbraw/zinc/70/58/18/1191705818.db2.gz WWADUNWBEZEALA-UHFFFAOYSA-N 2 2 344.459 2.344 10 0 EEAELP CN(CC(C)(C)C[NH2+]CCc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC001485260736 1191708867 /nfs/dbraw/zinc/70/88/67/1191708867.db2.gz VTZHPWDXWWREBA-UHFFFAOYSA-N 2 2 328.460 2.269 10 0 EEAELP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ns2)[C@H]1C ZINC001486185743 1193726588 /nfs/dbraw/zinc/72/65/88/1193726588.db2.gz JVYVFWHEDLCTIM-GOEBONIOSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2cc(C)ns2)[C@H]1C ZINC001486185743 1193726590 /nfs/dbraw/zinc/72/65/90/1193726590.db2.gz JVYVFWHEDLCTIM-GOEBONIOSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C)ns2)[C@H]1C ZINC001486185743 1193726594 /nfs/dbraw/zinc/72/65/94/1193726594.db2.gz JVYVFWHEDLCTIM-GOEBONIOSA-N 2 2 338.521 2.262 10 0 EEAELP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ns2)[C@H]1C ZINC001486185743 1193726598 /nfs/dbraw/zinc/72/65/98/1193726598.db2.gz JVYVFWHEDLCTIM-GOEBONIOSA-N 2 2 338.521 2.262 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CCOc1ccccc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001486417283 1193947511 /nfs/dbraw/zinc/94/75/11/1193947511.db2.gz UDERXLVQUPIIEU-MRXNPFEDSA-N 2 2 344.459 2.152 10 0 EEAELP C[C@H](CC[NH2+]Cc1nc2ccccc2o1)NC(=O)CCn1cc[nH+]c1 ZINC001272945298 1193949529 /nfs/dbraw/zinc/94/95/29/1193949529.db2.gz WIPHUIVIZQJSQL-CQSZACIVSA-N 2 2 341.415 2.099 10 0 EEAELP CC(C)OCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001486437596 1193956664 /nfs/dbraw/zinc/95/66/64/1193956664.db2.gz CDAFKBBWQISDAX-DJIMGWMZSA-N 2 2 348.491 2.155 10 0 EEAELP CC(C)OCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001486437596 1193956666 /nfs/dbraw/zinc/95/66/66/1193956666.db2.gz CDAFKBBWQISDAX-DJIMGWMZSA-N 2 2 348.491 2.155 10 0 EEAELP CC[C@H](F)C[N@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001486509021 1194025657 /nfs/dbraw/zinc/02/56/57/1194025657.db2.gz GCEDVBAJGLCBKD-INIZCTEOSA-N 2 2 348.466 2.258 10 0 EEAELP CC[C@H](F)C[N@@H+]1CC=C(CNC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001486509021 1194025660 /nfs/dbraw/zinc/02/56/60/1194025660.db2.gz GCEDVBAJGLCBKD-INIZCTEOSA-N 2 2 348.466 2.258 10 0 EEAELP O=C(NCC1=CC[N@H+](CCCCCF)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001486509129 1194025814 /nfs/dbraw/zinc/02/58/14/1194025814.db2.gz MTQHMLIHDXLYNK-QGZVFWFLSA-N 2 2 348.466 2.334 10 0 EEAELP O=C(NCC1=CC[N@@H+](CCCCCF)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001486509129 1194025820 /nfs/dbraw/zinc/02/58/20/1194025820.db2.gz MTQHMLIHDXLYNK-QGZVFWFLSA-N 2 2 348.466 2.334 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc2scnc2C)c[nH+]1 ZINC001410399703 1197802852 /nfs/dbraw/zinc/80/28/52/1197802852.db2.gz VFKQWVXFOYYZLT-GFCCVEGCSA-N 2 2 349.504 2.328 10 0 EEAELP CC(=O)NCC1CCC([NH2+]CC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000865475587 1198237824 /nfs/dbraw/zinc/23/78/24/1198237824.db2.gz MHVZMHANSMPFGK-UHFFFAOYSA-N 2 2 343.515 2.370 10 0 EEAELP CNc1nc(N(CCOC)CC2CC[NH+](C)CC2)[nH+]c2ccccc21 ZINC000865997029 1198448689 /nfs/dbraw/zinc/44/86/89/1198448689.db2.gz AKICERGZIUXGOT-UHFFFAOYSA-N 2 2 343.475 2.466 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001132404635 1199662765 /nfs/dbraw/zinc/66/27/65/1199662765.db2.gz KYXLPVFDTZDVCG-SFHVURJKSA-N 2 2 333.395 2.184 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001132404635 1199662766 /nfs/dbraw/zinc/66/27/66/1199662766.db2.gz KYXLPVFDTZDVCG-SFHVURJKSA-N 2 2 333.395 2.184 10 0 EEAELP C/C(=C\c1ccccn1)C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870665431 1200800548 /nfs/dbraw/zinc/80/05/48/1200800548.db2.gz UMJAREVHVRARRF-FYWRMAATSA-N 2 2 337.427 2.270 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC1(C)C ZINC000871152877 1201073577 /nfs/dbraw/zinc/07/35/77/1201073577.db2.gz WMMNAZGOCWLQKY-UHFFFAOYSA-N 2 2 326.444 2.488 10 0 EEAELP C[N@H+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CCC1(C)C ZINC000871152877 1201073583 /nfs/dbraw/zinc/07/35/83/1201073583.db2.gz WMMNAZGOCWLQKY-UHFFFAOYSA-N 2 2 326.444 2.488 10 0 EEAELP C[N@@H+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCC1(C)C ZINC000871159514 1201079313 /nfs/dbraw/zinc/07/93/13/1201079313.db2.gz WQUDBYXCRASGHX-UHFFFAOYSA-N 2 2 326.444 2.358 10 0 EEAELP C[N@H+]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)CCC1(C)C ZINC000871159514 1201079316 /nfs/dbraw/zinc/07/93/16/1201079316.db2.gz WQUDBYXCRASGHX-UHFFFAOYSA-N 2 2 326.444 2.358 10 0 EEAELP C[C@H]1CCCN(C(=O)CCn2cc[nH+]c2)[C@@H]1CC[NH2+]Cc1ccon1 ZINC001691729009 1204240975 /nfs/dbraw/zinc/24/09/75/1204240975.db2.gz VKQJINAYNRNQLH-DOTOQJQBSA-N 2 2 345.447 2.068 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCOCC3CC3)ccn12 ZINC001275402583 1205340955 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2.197 10 0 EEAELP CCOCC[NH2+]CC1(NC(=O)c2cccc3[nH+]ccn32)CCCCC1 ZINC001276213626 1205839396 /nfs/dbraw/zinc/83/93/96/1205839396.db2.gz VDQVOSRNEYFWAB-UHFFFAOYSA-N 2 2 344.459 2.393 10 0 EEAELP CCSc1ccccc1C[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000924838636 1206040118 /nfs/dbraw/zinc/04/01/18/1206040118.db2.gz FIPKEPHNTPMBHR-HNNXBMFYSA-N 2 2 335.517 2.093 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)COc1ccc(C(F)(F)F)cc1 ZINC000925567940 1206129482 /nfs/dbraw/zinc/12/94/82/1206129482.db2.gz MKXYIQPTCRZVTF-DZGCQCFKSA-N 2 2 344.377 2.319 10 0 EEAELP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925784791 1206153405 /nfs/dbraw/zinc/15/34/05/1206153405.db2.gz SGSQDBZBDDGYEE-CHWSQXEVSA-N 2 2 342.386 2.134 10 0 EEAELP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccnc(-c3ccccc3)c2)CC1 ZINC000926082838 1206189296 /nfs/dbraw/zinc/18/92/96/1206189296.db2.gz JKYAWLVWUFZION-UHFFFAOYSA-N 2 2 339.443 2.293 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H](O)c1ccc2c(c1)OCO2 ZINC000926311307 1206212868 /nfs/dbraw/zinc/21/28/68/1206212868.db2.gz ULXCRQIINULJSD-PSLQGDIJSA-N 2 2 332.444 2.444 10 0 EEAELP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H](O)c1ccc2c(c1)OCO2 ZINC000926311307 1206212869 /nfs/dbraw/zinc/21/28/69/1206212869.db2.gz ULXCRQIINULJSD-PSLQGDIJSA-N 2 2 332.444 2.444 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](CC[NH+](C)C)c2cccnc2)c[nH+]1 ZINC000928827296 1206424938 /nfs/dbraw/zinc/42/49/38/1206424938.db2.gz ABDKQHFYFALDEP-MRXNPFEDSA-N 2 2 329.448 2.131 10 0 EEAELP CC[N@H+](C[C@@H](O)C1(O)CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754305 1206498375 /nfs/dbraw/zinc/49/83/75/1206498375.db2.gz MGNUCQZHGPLBGW-GOSISDBHSA-N 2 2 347.503 2.286 10 0 EEAELP CC[N@@H+](C[C@@H](O)C1(O)CCCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000929754305 1206498376 /nfs/dbraw/zinc/49/83/76/1206498376.db2.gz MGNUCQZHGPLBGW-GOSISDBHSA-N 2 2 347.503 2.286 10 0 EEAELP C[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982916 1206525249 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EEAELP COc1cccc([C@H]2CN(C(=O)c3ccc(C[NH+](C)C)o3)CC[NH2+]2)c1 ZINC001413372366 1235965418 /nfs/dbraw/zinc/96/54/18/1235965418.db2.gz HWIYJIRXIRVZIT-QGZVFWFLSA-N 2 2 343.427 2.137 10 0 EEAELP CC(C)O[C@@]1(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CCOC1 ZINC000903361239 1240307536 /nfs/dbraw/zinc/30/75/36/1240307536.db2.gz QPGIJJSJXQONCE-LJQANCHMSA-N 2 2 333.476 2.220 10 0 EEAELP Cc1ccc(C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC2CC2)cn1 ZINC000903931178 1242548973 /nfs/dbraw/zinc/54/89/73/1242548973.db2.gz AJDWXHRAXQCRSC-GOSISDBHSA-N 2 2 340.475 2.318 10 0 EEAELP Cc1ccc(C[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC2CC2)cn1 ZINC000903931178 1242548981 /nfs/dbraw/zinc/54/89/81/1242548981.db2.gz AJDWXHRAXQCRSC-GOSISDBHSA-N 2 2 340.475 2.318 10 0 EEAELP COc1cc(C)c(C[NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)cc1OC ZINC000903973125 1242807665 /nfs/dbraw/zinc/80/76/65/1242807665.db2.gz OVAJRZLUKXEGSB-MRXNPFEDSA-N 2 2 334.460 2.261 10 0 EEAELP CC[C@@H](C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1)OC ZINC001491038899 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330.432 2.483 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ncc(C)o3)C2)ccn1 ZINC000856591876 1293574056 /nfs/dbraw/zinc/57/40/56/1293574056.db2.gz QSMVOQRDLHJKLZ-QGZVFWFLSA-N 2 2 330.432 2.483 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ncc(C)o3)C2)ccn1 ZINC000856591876 1293574060 /nfs/dbraw/zinc/57/40/60/1293574060.db2.gz QSMVOQRDLHJKLZ-QGZVFWFLSA-N 2 2 330.432 2.483 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ncc(C)o3)C2)ccn1 ZINC000856591876 1293574065 /nfs/dbraw/zinc/57/40/65/1293574065.db2.gz QSMVOQRDLHJKLZ-QGZVFWFLSA-N 2 2 330.432 2.483 10 0 EEAELP Cn1c[nH+]cc1CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815508 1293646414 /nfs/dbraw/zinc/64/64/14/1293646414.db2.gz LBCCMXOHJKOVMW-KSSFIOAISA-N 2 2 334.464 2.342 10 0 EEAELP Cn1c[nH+]cc1CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815508 1293646418 /nfs/dbraw/zinc/64/64/18/1293646418.db2.gz LBCCMXOHJKOVMW-KSSFIOAISA-N 2 2 334.464 2.342 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc4scnc43)C2)CC1 ZINC000859337811 1294398663 /nfs/dbraw/zinc/39/86/63/1294398663.db2.gz REKAGRDVDPLCLU-ZDUSSCGKSA-N 2 2 344.484 2.195 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc4scnc43)C2)CC1 ZINC000859337811 1294398670 /nfs/dbraw/zinc/39/86/70/1294398670.db2.gz REKAGRDVDPLCLU-ZDUSSCGKSA-N 2 2 344.484 2.195 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]CC[C@@H]2CCCCO2)C1 ZINC001491162775 1299642823 /nfs/dbraw/zinc/64/28/23/1299642823.db2.gz AQNPARXAVLISBS-ROUUACIJSA-N 2 2 348.491 2.061 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1=CCCCC1 ZINC001277865147 1304967099 /nfs/dbraw/zinc/96/70/99/1304967099.db2.gz YKUDJWBVBVJZHB-NVXWUHKLSA-N 2 2 330.476 2.382 10 0 EEAELP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001276396922 1314694964 /nfs/dbraw/zinc/69/49/64/1314694964.db2.gz JXJWQVKQSCTHQO-HOTGVXAUSA-N 2 2 332.492 2.462 10 0 EEAELP CC[NH+](CC)CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000843103496 1315842766 /nfs/dbraw/zinc/84/27/66/1315842766.db2.gz LXAXGWLIZOAQNX-BBRMVZONSA-N 2 2 332.847 2.195 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001263863645 1322541459 /nfs/dbraw/zinc/54/14/59/1322541459.db2.gz YQNUZYZWYIMMPU-MPGHIAIKSA-N 2 2 345.491 2.241 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001263863645 1322541463 /nfs/dbraw/zinc/54/14/63/1322541463.db2.gz YQNUZYZWYIMMPU-MPGHIAIKSA-N 2 2 345.491 2.241 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](C)Cc1cc(F)ccc1F ZINC001265012495 1322859222 /nfs/dbraw/zinc/85/92/22/1322859222.db2.gz FWJJZNWRMPXDNL-UHFFFAOYSA-N 2 2 336.386 2.108 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](C)Cc1cc(F)ccc1F ZINC001265012495 1322859227 /nfs/dbraw/zinc/85/92/27/1322859227.db2.gz FWJJZNWRMPXDNL-UHFFFAOYSA-N 2 2 336.386 2.108 10 0 EEAELP C[C@@H]([NH2+]CCCCCF)[C@@H]1CCCCN1C(=O)Cc1c[nH+]cn1C ZINC001265092498 1322916465 /nfs/dbraw/zinc/91/64/65/1322916465.db2.gz RNVRBROWDVBXEL-WBVHZDCISA-N 2 2 338.471 2.462 10 0 EEAELP 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344.459 2.201 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn2cc[nH+]c2)c1 ZINC001282242380 1325666552 /nfs/dbraw/zinc/66/65/52/1325666552.db2.gz RFTCJAPEWOBRRS-DLBZAZTESA-N 2 2 344.459 2.062 10 0 EEAELP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2c[nH+]cn2C)cc1F ZINC001283259559 1325975991 /nfs/dbraw/zinc/97/59/91/1325975991.db2.gz HZEBOCGBDDJFRL-OAHLLOKOSA-N 2 2 346.450 2.485 10 0 EEAELP Cc1cnc(C[NH2+]CCC[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)s1 ZINC001283267250 1325980200 /nfs/dbraw/zinc/98/02/00/1325980200.db2.gz AHSYYZREOPWRGW-LLVKDONJSA-N 2 2 335.477 2.100 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H](C)CN(C)C(=O)Cc2c[nH+]c[nH]2)cc1 ZINC001283680192 1326198963 /nfs/dbraw/zinc/19/89/63/1326198963.db2.gz NSMQLGLBYBLVIP-MRXNPFEDSA-N 2 2 328.460 2.330 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCCOc2ccccc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001284015058 1326363426 /nfs/dbraw/zinc/36/34/26/1326363426.db2.gz RIZLXUNUWBTUGQ-RDJZCZTQSA-N 2 2 342.443 2.000 10 0 EEAELP CCOCC[NH2+]C[C@@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)(C)C ZINC001284602495 1326625972 /nfs/dbraw/zinc/62/59/72/1326625972.db2.gz DBIWSDFMBVDKJW-MRXNPFEDSA-N 2 2 332.448 2.334 10 0 EEAELP O=C(NC[C@H]1C[C@H]([NH2+]CCOCC2CC2)C1)c1cc2c[nH+]ccc2[nH]1 ZINC001316634052 1326647267 /nfs/dbraw/zinc/64/72/67/1326647267.db2.gz ZPMAWODMDIXRNR-KOMQPUFPSA-N 2 2 342.443 2.088 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC001491694671 1330209138 /nfs/dbraw/zinc/20/91/38/1330209138.db2.gz SBHNKBNKXWMAHM-HSBZDZAISA-N 2 2 346.397 2.346 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NCC[C@@H](C)[NH2+]Cc2scnc2C)c[nH+]1 ZINC001492041218 1330414044 /nfs/dbraw/zinc/41/40/44/1330414044.db2.gz GROLIJIZZAMTKF-GFCCVEGCSA-N 2 2 349.504 2.376 10 0 EEAELP Cc1cnc(C[N@@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001492171291 1331048052 /nfs/dbraw/zinc/04/80/52/1331048052.db2.gz MTRTYMXYBQZJGW-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1cnc(C[N@H+]2CCC[C@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001492171291 1331048054 /nfs/dbraw/zinc/04/80/54/1331048054.db2.gz MTRTYMXYBQZJGW-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@@H]1CC[NH2+]Cc1cncs1 ZINC001316681100 1331314121 /nfs/dbraw/zinc/31/41/21/1331314121.db2.gz ISDADJVELCIDGC-CZUORRHYSA-N 2 2 347.488 2.216 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1CC[NH2+]CCCF ZINC001316686572 1331330445 /nfs/dbraw/zinc/33/04/45/1331330445.db2.gz RBMGUDMODUQUSB-NVXWUHKLSA-N 2 2 338.471 2.319 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317337528 1332184622 /nfs/dbraw/zinc/18/46/22/1332184622.db2.gz SJJPUXPHHANEEJ-RYUDHWBXSA-N 2 2 345.274 2.345 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001317337528 1332184623 /nfs/dbraw/zinc/18/46/23/1332184623.db2.gz SJJPUXPHHANEEJ-RYUDHWBXSA-N 2 2 345.274 2.345 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccnc(Cl)c1 ZINC001317511427 1332274770 /nfs/dbraw/zinc/27/47/70/1332274770.db2.gz ANVYGFPKZQHZOG-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccnc(Cl)c1 ZINC001317511427 1332274771 /nfs/dbraw/zinc/27/47/71/1332274771.db2.gz ANVYGFPKZQHZOG-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccnc(Cl)c1 ZINC001317511427 1332274772 /nfs/dbraw/zinc/27/47/72/1332274772.db2.gz ANVYGFPKZQHZOG-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccnc(Cl)c1 ZINC001317511427 1332274773 /nfs/dbraw/zinc/27/47/73/1332274773.db2.gz ANVYGFPKZQHZOG-HNNXBMFYSA-N 2 2 338.883 2.157 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001317644164 1332344967 /nfs/dbraw/zinc/34/49/67/1332344967.db2.gz UFJLLPJXBAOECN-HZPDHXFCSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)o1 ZINC001317644164 1332344969 /nfs/dbraw/zinc/34/49/69/1332344969.db2.gz UFJLLPJXBAOECN-HZPDHXFCSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)o1 ZINC001317644165 1332345018 /nfs/dbraw/zinc/34/50/18/1332345018.db2.gz UFJLLPJXBAOECN-JKSUJKDBSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)c1cnc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)o1 ZINC001317644165 1332345020 /nfs/dbraw/zinc/34/50/20/1332345020.db2.gz UFJLLPJXBAOECN-JKSUJKDBSA-N 2 2 348.491 2.363 10 0 EEAELP CC(C)OCC[NH2+]C[C@@]1(NC(=O)Cc2[nH]cc[nH+]2)CCCC[C@H]1C ZINC001318762779 1332591657 /nfs/dbraw/zinc/59/16/57/1332591657.db2.gz ZMRFIEDMLRLCMY-QAPCUYQASA-N 2 2 336.480 2.032 10 0 EEAELP CC(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001318918518 1332624128 /nfs/dbraw/zinc/62/41/28/1332624128.db2.gz WNPDPSVMDWSKHI-IAGOWNOFSA-N 2 2 332.492 2.398 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC(CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC001318937641 1332626445 /nfs/dbraw/zinc/62/64/45/1332626445.db2.gz NCFJTGBWMQBUJC-UHFFFAOYSA-N 2 2 344.434 2.441 10 0 EEAELP C[C@@H](C[NH2+]CC[C@H]1CCCC1(F)F)N(C)C(=O)Cc1c[nH+]cn1C ZINC001319559309 1332721036 /nfs/dbraw/zinc/72/10/36/1332721036.db2.gz DISJSJANSPWOHX-UONOGXRCSA-N 2 2 342.434 2.225 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001320101750 1332825673 /nfs/dbraw/zinc/82/56/73/1332825673.db2.gz BARQYTVNPJYDKT-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH]c[nH+]3)CC[C@@H]21 ZINC001320101750 1332825675 /nfs/dbraw/zinc/82/56/75/1332825675.db2.gz BARQYTVNPJYDKT-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP COCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001320101750 1332825677 /nfs/dbraw/zinc/82/56/77/1332825677.db2.gz BARQYTVNPJYDKT-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP COCCCCC[N@H+]1CC[C@H]2CN(C(=O)CCc3c[nH+]c[nH]3)CC[C@@H]21 ZINC001320101750 1332825678 /nfs/dbraw/zinc/82/56/78/1332825678.db2.gz BARQYTVNPJYDKT-WMZOPIPTSA-N 2 2 348.491 2.082 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001320456373 1332888226 /nfs/dbraw/zinc/88/82/26/1332888226.db2.gz UPWIGGYJHQRNBN-FVQBIDKESA-N 2 2 344.434 2.379 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001320456373 1332888229 /nfs/dbraw/zinc/88/82/29/1332888229.db2.gz UPWIGGYJHQRNBN-FVQBIDKESA-N 2 2 344.434 2.379 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)cc1Cl)NC(=O)Cc1c[nH]c[nH+]1 ZINC001320565194 1332911599 /nfs/dbraw/zinc/91/15/99/1332911599.db2.gz WUDJMIDUCYTBBM-NSHDSACASA-N 2 2 338.814 2.429 10 0 EEAELP CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001320765506 1332947806 /nfs/dbraw/zinc/94/78/06/1332947806.db2.gz AXTYFKDRUCHMSF-UHFFFAOYSA-N 2 2 347.463 2.170 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001321098618 1333019984 /nfs/dbraw/zinc/01/99/84/1333019984.db2.gz XUVBVHJJMAYIDR-KBXQFXQKSA-N 2 2 349.438 2.457 10 0 EEAELP O=C(NC/C=C/C[NH2+]Cc1ccc2cc[nH]c2c1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001321098618 1333019986 /nfs/dbraw/zinc/01/99/86/1333019986.db2.gz XUVBVHJJMAYIDR-KBXQFXQKSA-N 2 2 349.438 2.457 10 0 EEAELP CC[C@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC001321431356 1333102999 /nfs/dbraw/zinc/10/29/99/1333102999.db2.gz DXROSMUFYVHGCG-IDOMTICXSA-N 2 2 330.407 2.436 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001321552331 1333123101 /nfs/dbraw/zinc/12/31/01/1333123101.db2.gz WQXSEFLCRDYSFS-DAXOMENPSA-N 2 2 337.427 2.289 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc2cc[nH]c2c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001321552331 1333123104 /nfs/dbraw/zinc/12/31/04/1333123104.db2.gz WQXSEFLCRDYSFS-DAXOMENPSA-N 2 2 337.427 2.289 10 0 EEAELP CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001322583426 1333288298 /nfs/dbraw/zinc/28/82/98/1333288298.db2.gz YQQVAOROEOAUJY-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(F)cc1Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001322754859 1333320529 /nfs/dbraw/zinc/32/05/29/1333320529.db2.gz DVQCLGCLCUGCKW-UHFFFAOYSA-N 2 2 338.814 2.383 10 0 EEAELP CC[C@H]1CN(C(=O)Cc2c[nH+]ccc2OC)CC[C@@H]1[NH2+]CCCF ZINC001323145498 1333396308 /nfs/dbraw/zinc/39/63/08/1333396308.db2.gz ZOJYKBGUDZEBOD-HOCLYGCPSA-N 2 2 337.439 2.209 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC2(C1)CC[NH+](CCCCCF)CC2 ZINC001323835570 1333550708 /nfs/dbraw/zinc/55/07/08/1333550708.db2.gz LOEXPJYIFIHLGH-UHFFFAOYSA-N 2 2 336.455 2.407 10 0 EEAELP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CCCCC(F)(F)F)C1)[NH+](C)C ZINC001323946075 1333577102 /nfs/dbraw/zinc/57/71/02/1333577102.db2.gz JXADAMFUXNKEFG-AWEZNQCLSA-N 2 2 337.430 2.448 10 0 EEAELP CCCCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001326989637 1334197959 /nfs/dbraw/zinc/19/79/59/1334197959.db2.gz KEJOGUUAWJNDAG-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@H+](CCOCC2CCC2)CC1 ZINC001327163934 1334238240 /nfs/dbraw/zinc/23/82/40/1334238240.db2.gz RFJLRUKYQQLGGO-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CCC[N@@H+](CCOCC2CCC2)CC1 ZINC001327163934 1334238244 /nfs/dbraw/zinc/23/82/44/1334238244.db2.gz RFJLRUKYQQLGGO-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)CO2 ZINC001327397034 1334284550 /nfs/dbraw/zinc/28/45/50/1334284550.db2.gz MLBUIHXNYBAOLK-IAGOWNOFSA-N 2 2 337.508 2.011 10 0 EEAELP CCCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)CO2 ZINC001327397034 1334284551 /nfs/dbraw/zinc/28/45/51/1334284551.db2.gz MLBUIHXNYBAOLK-IAGOWNOFSA-N 2 2 337.508 2.011 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cc1c[nH]c[nH+]1 ZINC001329134418 1334592045 /nfs/dbraw/zinc/59/20/45/1334592045.db2.gz VKCJYACMWSHHKA-HOTGVXAUSA-N 2 2 328.460 2.376 10 0 EEAELP COCCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001331439214 1335014409 /nfs/dbraw/zinc/01/44/09/1335014409.db2.gz LYICKUGCWKLCGK-AWEZNQCLSA-N 2 2 332.448 2.119 10 0 EEAELP C[C@@H](CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCC[C@@H]1CCOC1 ZINC001331491821 1335023147 /nfs/dbraw/zinc/02/31/47/1335023147.db2.gz WUJXSSDFJPHBRW-LSDHHAIUSA-N 2 2 344.459 2.430 10 0 EEAELP CN(CC[NH2+]Cc1cccc(Cl)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001664023192 1355075701 /nfs/dbraw/zinc/07/57/01/1355075701.db2.gz INXNPXCJVWMVIJ-HNNXBMFYSA-N 2 2 346.862 2.347 10 0 EEAELP C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccnc1)[NH+]1CCCCCC1 ZINC001436318410 1342023494 /nfs/dbraw/zinc/02/34/94/1342023494.db2.gz HGTSUFGEBJPOJW-PKOBYXMFSA-N 2 2 344.503 2.379 10 0 EEAELP C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1Cc1cccnc1)[NH+]1CCCCCC1 ZINC001436318410 1342023498 /nfs/dbraw/zinc/02/34/98/1342023498.db2.gz HGTSUFGEBJPOJW-PKOBYXMFSA-N 2 2 344.503 2.379 10 0 EEAELP Cn1c[nH+]cc1C1CC[NH+](Cc2ccc3oc(=O)n(C)c3c2)CC1 ZINC001560233622 1342509467 /nfs/dbraw/zinc/50/94/67/1342509467.db2.gz HKVPOMAQHDYBBW-UHFFFAOYSA-N 2 2 326.400 2.245 10 0 EEAELP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001566768197 1342627509 /nfs/dbraw/zinc/62/75/09/1342627509.db2.gz AIRSBKMNRMPEPM-FEFZKZJHSA-N 2 2 330.476 2.382 10 0 EEAELP COCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567774580 1342838233 /nfs/dbraw/zinc/83/82/33/1342838233.db2.gz CHXRZVCRSMHIMR-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP COCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001567774580 1342838239 /nfs/dbraw/zinc/83/82/39/1342838239.db2.gz CHXRZVCRSMHIMR-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568776395 1342853835 /nfs/dbraw/zinc/85/38/35/1342853835.db2.gz JLEZHJCYHSSOKH-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP Cc1csc(C[NH+]2CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC2)n1 ZINC001571700835 1343281232 /nfs/dbraw/zinc/28/12/32/1343281232.db2.gz PLAKXWXBSHMZHZ-UHFFFAOYSA-N 2 2 336.505 2.040 10 0 EEAELP Cc1csc(C[NH+]2CC=C(CNC(=O)C[N@H+](C)C(C)C)CC2)n1 ZINC001571700835 1343281237 /nfs/dbraw/zinc/28/12/37/1343281237.db2.gz PLAKXWXBSHMZHZ-UHFFFAOYSA-N 2 2 336.505 2.040 10 0 EEAELP Cc1csc(C[N@H+]2CC=C(CNC(=O)C[NH+](C)C(C)C)CC2)n1 ZINC001571700835 1343281241 /nfs/dbraw/zinc/28/12/41/1343281241.db2.gz PLAKXWXBSHMZHZ-UHFFFAOYSA-N 2 2 336.505 2.040 10 0 EEAELP Cc1csc(C[N@@H+]2CC=C(CNC(=O)C[NH+](C)C(C)C)CC2)n1 ZINC001571700835 1343281245 /nfs/dbraw/zinc/28/12/45/1343281245.db2.gz PLAKXWXBSHMZHZ-UHFFFAOYSA-N 2 2 336.505 2.040 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCc2ccsc2)CN1C(=O)Cc1c[nH+]c[nH]1 ZINC001676762754 1357195665 /nfs/dbraw/zinc/19/56/65/1357195665.db2.gz NOCVMIYEKYTDSC-XJKSGUPXSA-N 2 2 332.473 2.226 10 0 EEAELP C[C@H]1C[C@@H]([NH2+]CCCCC(F)(F)F)CN1C(=O)Cc1[nH]cc[nH+]1 ZINC001676768916 1357197362 /nfs/dbraw/zinc/19/73/62/1357197362.db2.gz XXCNFLCJJVZSAF-NWDGAFQWSA-N 2 2 332.370 2.264 10 0 EEAELP COCCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001676938451 1357245333 /nfs/dbraw/zinc/24/53/33/1357245333.db2.gz HZGPWYIIXAKWBI-HZPDHXFCSA-N 2 2 344.459 2.249 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CCOc1ccccc1)NC(=O)Cn1cc[nH+]c1 ZINC001649471607 1353524044 /nfs/dbraw/zinc/52/40/44/1353524044.db2.gz JACQGGSVTSJPJP-QGZVFWFLSA-N 2 2 344.459 2.083 10 0 EEAELP COc1cc(C[N@H+](C)CCCNC(=O)Cc2[nH]c[nH+]c2C)ccc1C ZINC001660380521 1354453880 /nfs/dbraw/zinc/45/38/80/1354453880.db2.gz YSTLTUCUZYFXER-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP COc1cc(C[N@@H+](C)CCCNC(=O)Cc2[nH]c[nH+]c2C)ccc1C ZINC001660380521 1354453881 /nfs/dbraw/zinc/45/38/81/1354453881.db2.gz YSTLTUCUZYFXER-UHFFFAOYSA-N 2 2 344.459 2.216 10 0 EEAELP Cc1cnc(C[N@H+](CCCNC(=O)Cn2cc[nH+]c2C)C2CC2)s1 ZINC001660753782 1354532403 /nfs/dbraw/zinc/53/24/03/1354532403.db2.gz YNHWPZIIOZECLD-UHFFFAOYSA-N 2 2 347.488 2.127 10 0 EEAELP Cc1cnc(C[N@@H+](CCCNC(=O)Cn2cc[nH+]c2C)C2CC2)s1 ZINC001660753782 1354532407 /nfs/dbraw/zinc/53/24/07/1354532407.db2.gz YNHWPZIIOZECLD-UHFFFAOYSA-N 2 2 347.488 2.127 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H]([NH2+]CCCCC(F)(F)F)C1 ZINC001662525783 1354803777 /nfs/dbraw/zinc/80/37/77/1354803777.db2.gz OZYBNRKWJZHCLI-ZDUSSCGKSA-N 2 2 332.370 2.196 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001662635613 1354816999 /nfs/dbraw/zinc/81/69/99/1354816999.db2.gz QULCZXWHLRRYBY-INIZCTEOSA-N 2 2 330.476 2.166 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001665059465 1355270071 /nfs/dbraw/zinc/27/00/71/1355270071.db2.gz WJUYQVASJYLQFH-DSLCMKTCSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001665059465 1355270074 /nfs/dbraw/zinc/27/00/74/1355270074.db2.gz WJUYQVASJYLQFH-DSLCMKTCSA-N 2 2 330.476 2.382 10 0 EEAELP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001668472234 1355947210 /nfs/dbraw/zinc/94/72/10/1355947210.db2.gz AEGUYQXHFXLNOZ-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)C[N@H+](C)C(C)C ZINC001668652973 1355980778 /nfs/dbraw/zinc/98/07/78/1355980778.db2.gz YCAJNMQESKYHMC-UHFFFAOYSA-N 2 2 338.496 2.250 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C(C)(C)C)o1)C(=O)C[N@@H+](C)C(C)C ZINC001668652973 1355980780 /nfs/dbraw/zinc/98/07/80/1355980780.db2.gz YCAJNMQESKYHMC-UHFFFAOYSA-N 2 2 338.496 2.250 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]CCCN(C)C(=O)CCc1[nH+]ccn1C ZINC001670189697 1356293786 /nfs/dbraw/zinc/29/37/86/1356293786.db2.gz WCCMCCAIYMVAMF-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP COCCC[NH2+]C[C@H]1CN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001672299245 1356496687 /nfs/dbraw/zinc/49/66/87/1356496687.db2.gz DWJKZQDAZCYGSZ-YOEHRIQHSA-N 2 2 333.476 2.341 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001672424389 1356520628 /nfs/dbraw/zinc/52/06/28/1356520628.db2.gz FXJJFFUEJBTGFG-LXEGMVBOSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCc4[nH+]ccn4C3)C[C@H]2C1 ZINC001672424389 1356520633 /nfs/dbraw/zinc/52/06/33/1356520633.db2.gz FXJJFFUEJBTGFG-LXEGMVBOSA-N 2 2 342.487 2.192 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](CC[NH2+]Cc2ccc(F)cc2F)C1 ZINC001672870031 1356603517 /nfs/dbraw/zinc/60/35/17/1356603517.db2.gz XYQXMRWHCVJVSM-CYBMUJFWSA-N 2 2 348.397 2.259 10 0 EEAELP C[C@@H](CCC[NH2+]CC[C@H]1CCOC1)NC(=O)c1cccc2[nH+]ccn21 ZINC001675936773 1357073560 /nfs/dbraw/zinc/07/35/60/1357073560.db2.gz SISOJDBQDQDHGM-HOTGVXAUSA-N 2 2 344.459 2.249 10 0 EEAELP CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC001698980957 1405196798 /nfs/dbraw/zinc/19/67/98/1405196798.db2.gz OOQRDXVSXBIVLG-STQMWFEESA-N 2 2 347.290 2.197 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001699020982 1405236399 /nfs/dbraw/zinc/23/63/99/1405236399.db2.gz JATLLPYGTBVDOP-BCNNXQAVSA-N 2 2 337.851 2.260 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC/C=C/C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001699286982 1405317969 /nfs/dbraw/zinc/31/79/69/1405317969.db2.gz XTNZQRIWTMEHSL-XGACYXMMSA-N 2 2 348.397 2.493 10 0 EEAELP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCn1cc[nH+]c1 ZINC001699680032 1405437063 /nfs/dbraw/zinc/43/70/63/1405437063.db2.gz LKSBHZHAWOHREM-AYHJJNSGSA-N 2 2 348.491 2.202 10 0 EEAELP COCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699878217 1405546525 /nfs/dbraw/zinc/54/65/25/1405546525.db2.gz PHNNZESZBHXVEE-WMZOPIPTSA-N 2 2 336.480 2.089 10 0 EEAELP COCCC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001699878217 1405546531 /nfs/dbraw/zinc/54/65/31/1405546531.db2.gz PHNNZESZBHXVEE-WMZOPIPTSA-N 2 2 336.480 2.089 10 0 EEAELP CCN1C[C@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)OC1=O ZINC000846888983 790711319 /nfs/dbraw/zinc/71/13/19/790711319.db2.gz LAZQKYWTBJTSEN-ZBFHGGJFSA-N 2 2 332.448 2.240 10 0 EEAELP CCN1C[C@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)OC1=O ZINC000846888983 790711330 /nfs/dbraw/zinc/71/13/30/790711330.db2.gz LAZQKYWTBJTSEN-ZBFHGGJFSA-N 2 2 332.448 2.240 10 0 EEAELP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[C@H]1C(C)(C)C ZINC000912035287 787904731 /nfs/dbraw/zinc/90/47/31/787904731.db2.gz XRPLEQWRCCUEEF-ROUUACIJSA-N 2 2 344.503 2.235 10 0 EEAELP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[C@H]1C(C)(C)C ZINC000912035287 787904736 /nfs/dbraw/zinc/90/47/36/787904736.db2.gz XRPLEQWRCCUEEF-ROUUACIJSA-N 2 2 344.503 2.235 10 0 EEAELP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[C@H]1C(C)(C)C ZINC000912035287 787904744 /nfs/dbraw/zinc/90/47/44/787904744.db2.gz XRPLEQWRCCUEEF-ROUUACIJSA-N 2 2 344.503 2.235 10 0 EEAELP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[C@H]1C(C)(C)C ZINC000912035287 787904752 /nfs/dbraw/zinc/90/47/52/787904752.db2.gz XRPLEQWRCCUEEF-ROUUACIJSA-N 2 2 344.503 2.235 10 0 EEAELP C[C@@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[N@@H+]1CCc2ccccc2C1 ZINC000912378364 788131996 /nfs/dbraw/zinc/13/19/96/788131996.db2.gz IFLVCWPVYCLXAG-MGPUTAFESA-N 2 2 327.472 2.034 10 0 EEAELP C[C@@H](C(=O)N[C@]1(C)C[NH+]2CCC1CC2)[N@H+]1CCc2ccccc2C1 ZINC000912378364 788132004 /nfs/dbraw/zinc/13/20/04/788132004.db2.gz IFLVCWPVYCLXAG-MGPUTAFESA-N 2 2 327.472 2.034 10 0 EEAELP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1sccc1Br ZINC000713034097 794551899 /nfs/dbraw/zinc/55/18/99/794551899.db2.gz FBJDEMLFGXNAFL-QWRGUYRKSA-N 2 2 333.295 2.410 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H]([NH2+]CC[C@H](C)F)C3CC3)ccn12 ZINC001436781961 1088331660 /nfs/dbraw/zinc/33/16/60/1088331660.db2.gz BWVKFWUQZMHLOK-LRDDRELGSA-N 2 2 332.423 2.489 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2coc(C3CC3)n2)C1)n1cc[nH+]c1 ZINC001436962277 1088652821 /nfs/dbraw/zinc/65/28/21/1088652821.db2.gz BVQDPBIBPNZDQT-AEGPPILISA-N 2 2 343.431 2.137 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccc(Cl)cc1 ZINC001437208702 1089283508 /nfs/dbraw/zinc/28/35/08/1089283508.db2.gz VTTDIQCFORJTTH-DAXOMENPSA-N 2 2 346.862 2.472 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(F)cc1F ZINC001437697292 1090239093 /nfs/dbraw/zinc/23/90/93/1090239093.db2.gz LDQKHTNQVYQSLV-INIZCTEOSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(F)cc1F ZINC001437697292 1090239094 /nfs/dbraw/zinc/23/90/94/1090239094.db2.gz LDQKHTNQVYQSLV-INIZCTEOSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1F ZINC001437697292 1090239095 /nfs/dbraw/zinc/23/90/95/1090239095.db2.gz LDQKHTNQVYQSLV-INIZCTEOSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1F ZINC001437697292 1090239101 /nfs/dbraw/zinc/23/91/01/1090239101.db2.gz LDQKHTNQVYQSLV-INIZCTEOSA-N 2 2 339.430 2.386 10 0 EEAELP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC001437858642 1090439289 /nfs/dbraw/zinc/43/92/89/1090439289.db2.gz QAMHMILAQSSCHZ-DOTOQJQBSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)CC[C@@H]3CCC[NH+]3C)C2)oc1C ZINC001438228633 1090706979 /nfs/dbraw/zinc/70/69/79/1090706979.db2.gz AFULVMIZNCEQQS-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)CC[C@@H]3CCC[NH+]3C)C2)oc1C ZINC001438228633 1090706984 /nfs/dbraw/zinc/70/69/84/1090706984.db2.gz AFULVMIZNCEQQS-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)oc1C ZINC001438228633 1090706988 /nfs/dbraw/zinc/70/69/88/1090706988.db2.gz AFULVMIZNCEQQS-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](N(C)C(=O)CC[C@@H]3CCC[N@H+]3C)C2)oc1C ZINC001438228633 1090706994 /nfs/dbraw/zinc/70/69/94/1090706994.db2.gz AFULVMIZNCEQQS-IRXDYDNUSA-N 2 2 348.491 2.199 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C[NH2+]Cc1ccsc1 ZINC001438509916 1091002561 /nfs/dbraw/zinc/00/25/61/1091002561.db2.gz KAHVJRHOLWVZBE-ZFWWWQNUSA-N 2 2 332.473 2.049 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1c(F)cccc1F ZINC001438516616 1091008626 /nfs/dbraw/zinc/00/86/26/1091008626.db2.gz BYLKWZGNVAZWLS-ZDUSSCGKSA-N 2 2 336.386 2.094 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001445393756 1091139056 /nfs/dbraw/zinc/13/90/56/1091139056.db2.gz GFGDVLOSYHZCFB-OLZOCXBDSA-N 2 2 348.397 2.018 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]CCC1CCOCC1 ZINC001438801539 1091407179 /nfs/dbraw/zinc/40/71/79/1091407179.db2.gz GPTXSLVRVJJJAE-ZACQAIPSSA-N 2 2 348.491 2.060 10 0 EEAELP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]CCC1CCOCC1 ZINC001438801539 1091407185 /nfs/dbraw/zinc/40/71/85/1091407185.db2.gz GPTXSLVRVJJJAE-ZACQAIPSSA-N 2 2 348.491 2.060 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001438835154 1091459503 /nfs/dbraw/zinc/45/95/03/1091459503.db2.gz OUPDSXLVRVZAJQ-UKRRQHHQSA-N 2 2 333.436 2.061 10 0 EEAELP CC(C)n1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC001445778941 1091644688 /nfs/dbraw/zinc/64/46/88/1091644688.db2.gz FBQGLBBNBCIUPG-ULQDDVLXSA-N 2 2 349.523 2.131 10 0 EEAELP CC(C)n1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)n1 ZINC001445778941 1091644694 /nfs/dbraw/zinc/64/46/94/1091644694.db2.gz FBQGLBBNBCIUPG-ULQDDVLXSA-N 2 2 349.523 2.131 10 0 EEAELP CC(C)n1ccc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC001445778941 1091644699 /nfs/dbraw/zinc/64/46/99/1091644699.db2.gz FBQGLBBNBCIUPG-ULQDDVLXSA-N 2 2 349.523 2.131 10 0 EEAELP CC(C)n1ccc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC001445778941 1091644701 /nfs/dbraw/zinc/64/47/01/1091644701.db2.gz FBQGLBBNBCIUPG-ULQDDVLXSA-N 2 2 349.523 2.131 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001439262789 1091916794 /nfs/dbraw/zinc/91/67/94/1091916794.db2.gz ICXPPOKUJBUSII-KBPBESRZSA-N 2 2 332.423 2.330 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001439262789 1091916797 /nfs/dbraw/zinc/91/67/97/1091916797.db2.gz ICXPPOKUJBUSII-KBPBESRZSA-N 2 2 332.423 2.330 10 0 EEAELP C[C@@H]([NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC001439291597 1091952113 /nfs/dbraw/zinc/95/21/13/1091952113.db2.gz LXYMRWSYFBWRLF-LSDHHAIUSA-N 2 2 326.444 2.227 10 0 EEAELP C[C@@H](C[N@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439337132 1092033927 /nfs/dbraw/zinc/03/39/27/1092033927.db2.gz TVOMOYTYHRCULA-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP C[C@@H](C[N@@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001439337132 1092033937 /nfs/dbraw/zinc/03/39/37/1092033937.db2.gz TVOMOYTYHRCULA-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP C[C@@H](C[N@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439337132 1092033945 /nfs/dbraw/zinc/03/39/45/1092033945.db2.gz TVOMOYTYHRCULA-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP C[C@@H](C[N@@H+](C)C[C@H]1CCC(F)(F)C1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001439337132 1092033955 /nfs/dbraw/zinc/03/39/55/1092033955.db2.gz TVOMOYTYHRCULA-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001446068426 1092085301 /nfs/dbraw/zinc/08/53/01/1092085301.db2.gz CCFNNUZNBLPHIB-HNNXBMFYSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001446068426 1092085309 /nfs/dbraw/zinc/08/53/09/1092085309.db2.gz CCFNNUZNBLPHIB-HNNXBMFYSA-N 2 2 348.491 2.139 10 0 EEAELP CC1CCC(C[N@@H+]2CC[C@H]2CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001446122423 1092164393 /nfs/dbraw/zinc/16/43/93/1092164393.db2.gz QQZUWYKQHBYETI-HTWSVDAQSA-N 2 2 332.492 2.370 10 0 EEAELP CC1CCC(C[N@H+]2CC[C@H]2CNC(=O)CCc2c[nH+]cn2C)CC1 ZINC001446122423 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/nfs/dbraw/zinc/27/92/60/161279260.db2.gz ONXRATKBROJKMA-UHFFFAOYSA-N 2 2 332.492 2.380 10 0 EEAELP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000355784901 163301284 /nfs/dbraw/zinc/30/12/84/163301284.db2.gz OPFCGLBJRNOXAZ-SQNIBIBYSA-N 2 2 344.503 2.487 10 0 EEAELP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000355784901 163301288 /nfs/dbraw/zinc/30/12/88/163301288.db2.gz OPFCGLBJRNOXAZ-SQNIBIBYSA-N 2 2 344.503 2.487 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N1CC[NH+](C3CCC3)CC1)C2 ZINC000364544112 165177558 /nfs/dbraw/zinc/17/75/58/165177558.db2.gz RTMDNRZSBPBFSS-AWEZNQCLSA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N1CC[NH+](C3CCC3)CC1)CC2 ZINC000364544112 165177560 /nfs/dbraw/zinc/17/75/60/165177560.db2.gz RTMDNRZSBPBFSS-AWEZNQCLSA-N 2 2 330.476 2.335 10 0 EEAELP Cc1cc(NC2CCN(c3[nH+]ccn3C)CC2)nc(-c2ccncc2)[nH+]1 ZINC000364605193 165203853 /nfs/dbraw/zinc/20/38/53/165203853.db2.gz LNUMLYJJTHBIST-UHFFFAOYSA-N 2 2 349.442 2.083 10 0 EEAELP CC[C@H]([NH3+])C(=O)N(CC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000364850309 165293546 /nfs/dbraw/zinc/29/35/46/165293546.db2.gz KXDRREFZOWHQNZ-INIZCTEOSA-N 2 2 347.507 2.463 10 0 EEAELP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000280279222 269346276 /nfs/dbraw/zinc/34/62/76/269346276.db2.gz NESANEIESAGKMO-GFCCVEGCSA-N 2 2 336.386 2.176 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368582844 273521200 /nfs/dbraw/zinc/52/12/00/273521200.db2.gz XJDNXKRKOPUIKI-UHFFFAOYSA-N 2 2 333.480 2.309 10 0 EEAELP Cc1cc2c(cc1C)N(C(=O)NCC[NH+]1CCC([NH+](C)C)CC1)CC2 ZINC000287876720 275001508 /nfs/dbraw/zinc/00/15/08/275001508.db2.gz MBSWIRQDBGMCNU-UHFFFAOYSA-N 2 2 344.503 2.402 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1c1ccccc1 ZINC000368066504 277138081 /nfs/dbraw/zinc/13/80/81/277138081.db2.gz XWXZOJGAKXYXBD-KGLIPLIRSA-N 2 2 329.366 2.090 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1c1ccccc1 ZINC000368066504 277138083 /nfs/dbraw/zinc/13/80/83/277138083.db2.gz XWXZOJGAKXYXBD-KGLIPLIRSA-N 2 2 329.366 2.090 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC000248791542 295369535 /nfs/dbraw/zinc/36/95/35/295369535.db2.gz XTBNRTDMBATDLM-INMHGKMJSA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1=O ZINC000248791542 295369538 /nfs/dbraw/zinc/36/95/38/295369538.db2.gz XTBNRTDMBATDLM-INMHGKMJSA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000248791542 295369540 /nfs/dbraw/zinc/36/95/40/295369540.db2.gz XTBNRTDMBATDLM-INMHGKMJSA-N 2 2 331.460 2.215 10 0 EEAELP COc1ccccc1N1CC[C@H]([NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1=O ZINC000248791542 295369543 /nfs/dbraw/zinc/36/95/43/295369543.db2.gz XTBNRTDMBATDLM-INMHGKMJSA-N 2 2 331.460 2.215 10 0 EEAELP COc1cccc(N2CCC[C@H]([NH2+]Cc3c[nH+]c(N(C)C)n3C)C2)c1 ZINC000414392604 313011104 /nfs/dbraw/zinc/01/11/04/313011104.db2.gz MZOFIAOFPRWXSE-HNNXBMFYSA-N 2 2 343.475 2.253 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@@H]([NH3+])CC(C)C)CC2)cc(OC)c1 ZINC000414696654 313065982 /nfs/dbraw/zinc/06/59/82/313065982.db2.gz BCUCTJAWCQCFKQ-KRWDZBQOSA-N 2 2 335.492 2.195 10 0 EEAELP COc1cc(C[NH+]2CCN(C[C@H]([NH3+])CC(C)C)CC2)cc(OC)c1 ZINC000414696655 313065999 /nfs/dbraw/zinc/06/59/99/313065999.db2.gz BCUCTJAWCQCFKQ-QGZVFWFLSA-N 2 2 335.492 2.195 10 0 EEAELP COC(=O)[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000414825511 313098043 /nfs/dbraw/zinc/09/80/43/313098043.db2.gz CJYBWVOFCFACMU-RDTXWAMCSA-N 2 2 328.412 2.417 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417018183 313396753 /nfs/dbraw/zinc/39/67/53/313396753.db2.gz PPYWOUHMXOYYEP-UHFFFAOYSA-N 2 2 333.480 2.259 10 0 EEAELP Cc1c(Cl)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nn1C ZINC000421318617 314084316 /nfs/dbraw/zinc/08/43/16/314084316.db2.gz GRYKDRNZJYZLLE-UHFFFAOYSA-N 2 2 340.899 2.459 10 0 EEAELP Cc1c(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)nn1C ZINC000421347441 314088819 /nfs/dbraw/zinc/08/88/19/314088819.db2.gz VBOMDFCMHOVDRA-INIZCTEOSA-N 2 2 348.878 2.238 10 0 EEAELP Cc1c(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)nn1C ZINC000421347441 314088821 /nfs/dbraw/zinc/08/88/21/314088821.db2.gz VBOMDFCMHOVDRA-INIZCTEOSA-N 2 2 348.878 2.238 10 0 EEAELP CCc1ccc(C[NH+]2CCN(Cc3c[nH+]c(N(C)C)n3C)CC2)s1 ZINC000425320230 314381038 /nfs/dbraw/zinc/38/10/38/314381038.db2.gz CHGKGRVWRUNDCJ-UHFFFAOYSA-N 2 2 347.532 2.428 10 0 EEAELP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000525857362 317084948 /nfs/dbraw/zinc/08/49/48/317084948.db2.gz JJBOYDCJCJDYRM-RHSMWYFYSA-N 2 2 344.434 2.271 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCCCCn1cc[nH+]c1)C2 ZINC000527245915 317172811 /nfs/dbraw/zinc/17/28/11/317172811.db2.gz WACBPHVPUYJQPJ-AWEZNQCLSA-N 2 2 329.448 2.431 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCCCCn1cc[nH+]c1)CC2 ZINC000527245915 317172816 /nfs/dbraw/zinc/17/28/16/317172816.db2.gz WACBPHVPUYJQPJ-AWEZNQCLSA-N 2 2 329.448 2.431 10 0 EEAELP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000527497789 317201371 /nfs/dbraw/zinc/20/13/71/317201371.db2.gz BYMXENLWQCHECM-ULQDDVLXSA-N 2 2 330.476 2.493 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C1=O ZINC000541229116 318094721 /nfs/dbraw/zinc/09/47/21/318094721.db2.gz NDZBRADPNRJQSG-IAGOWNOFSA-N 2 2 342.418 2.327 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000545859274 318229106 /nfs/dbraw/zinc/22/91/06/318229106.db2.gz SFAROIVRBUQCBQ-UHFFFAOYSA-N 2 2 343.475 2.133 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000545859274 318229108 /nfs/dbraw/zinc/22/91/08/318229108.db2.gz SFAROIVRBUQCBQ-UHFFFAOYSA-N 2 2 343.475 2.133 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)c1 ZINC000568737860 319514504 /nfs/dbraw/zinc/51/45/04/319514504.db2.gz UWVCLMDPVVDHRO-SFHVURJKSA-N 2 2 337.427 2.115 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3CCc4ccccc4[C@H]3C[NH3+])[nH+]c2c1 ZINC000578440801 320314679 /nfs/dbraw/zinc/31/46/79/320314679.db2.gz MGYLUQIIJRMFHQ-GOSISDBHSA-N 2 2 349.438 2.410 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000580891575 324148307 /nfs/dbraw/zinc/14/83/07/324148307.db2.gz RCGZSWFKWOGZAX-STQMWFEESA-N 2 2 338.883 2.123 10 0 EEAELP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000580891575 324148310 /nfs/dbraw/zinc/14/83/10/324148310.db2.gz RCGZSWFKWOGZAX-STQMWFEESA-N 2 2 338.883 2.123 10 0 EEAELP C[C@H](O)[C@H]1CCN(c2cc(NC3CC([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000581535555 324273232 /nfs/dbraw/zinc/27/32/32/324273232.db2.gz SWGOFINCDCMMLK-JUVOFCAFSA-N 2 2 345.491 2.113 10 0 EEAELP C[C@H](O)[C@H]1CCN(c2cc(NC3CC([NH+]4CCCCC4)C3)[nH+]cn2)C1 ZINC000581535555 324273239 /nfs/dbraw/zinc/27/32/39/324273239.db2.gz SWGOFINCDCMMLK-JUVOFCAFSA-N 2 2 345.491 2.113 10 0 EEAELP CC[C@H]1CN(C(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC[C@H]1[NH3+] ZINC000529366687 448842562 /nfs/dbraw/zinc/84/25/62/448842562.db2.gz KRSALXRXAOLNOD-LSDHHAIUSA-N 2 2 348.495 2.089 10 0 EEAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000058343932 463583988 /nfs/dbraw/zinc/58/39/88/463583988.db2.gz SQKIYKPVMJPVBX-GOSISDBHSA-N 2 2 349.438 2.170 10 0 EEAELP Nc1ccc(N[C@H]2CCC[N@H+](Cc3cnc4ncccn34)CC2)c[nH+]1 ZINC000328628821 465078028 /nfs/dbraw/zinc/07/80/28/465078028.db2.gz HOZDTOSTEMQFBR-AWEZNQCLSA-N 2 2 337.431 2.173 10 0 EEAELP Nc1ccc(N[C@H]2CCC[N@@H+](Cc3cnc4ncccn34)CC2)c[nH+]1 ZINC000328628821 465078032 /nfs/dbraw/zinc/07/80/32/465078032.db2.gz HOZDTOSTEMQFBR-AWEZNQCLSA-N 2 2 337.431 2.173 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000358400585 465100734 /nfs/dbraw/zinc/10/07/34/465100734.db2.gz MYVGUJUJYXPAJI-KYOSRNDESA-N 2 2 341.377 2.350 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000358400585 465100737 /nfs/dbraw/zinc/10/07/37/465100737.db2.gz MYVGUJUJYXPAJI-KYOSRNDESA-N 2 2 341.377 2.350 10 0 EEAELP Cc1nc(N(C)C)nc(N2CCN(c3cc[nH+]c4ccccc43)CC2)[nH+]1 ZINC000521053427 468286485 /nfs/dbraw/zinc/28/64/85/468286485.db2.gz IMZVKTOZFRNLDN-UHFFFAOYSA-N 2 2 349.442 2.121 10 0 EEAELP C[NH+]1CCC(CCNC(=O)[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000065564790 462798348 /nfs/dbraw/zinc/79/83/48/462798348.db2.gz OFMRRSJVHCDSAX-KRWDZBQOSA-N 2 2 330.476 2.146 10 0 EEAELP Nc1nc(-n2cccn2)cc(NCc2ccc(Cn3cc[nH+]c3)cc2)[nH+]1 ZINC000092891125 462988264 /nfs/dbraw/zinc/98/82/64/462988264.db2.gz AXMLPBZBNKLLBE-UHFFFAOYSA-N 2 2 346.398 2.101 10 0 EEAELP COc1ccccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121229673 463101244 /nfs/dbraw/zinc/10/12/44/463101244.db2.gz RDVUQXNDIWNSHP-UHFFFAOYSA-N 2 2 328.460 2.488 10 0 EEAELP COc1ccccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121229673 463101248 /nfs/dbraw/zinc/10/12/48/463101248.db2.gz RDVUQXNDIWNSHP-UHFFFAOYSA-N 2 2 328.460 2.488 10 0 EEAELP C[C@H](C[NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1cccc(Br)c1 ZINC000095981669 463125367 /nfs/dbraw/zinc/12/53/67/463125367.db2.gz UKECZRXNVZHQCI-CZUORRHYSA-N 2 2 340.309 2.388 10 0 EEAELP C[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1cccc(Br)c1 ZINC000095981669 463125370 /nfs/dbraw/zinc/12/53/70/463125370.db2.gz UKECZRXNVZHQCI-CZUORRHYSA-N 2 2 340.309 2.388 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cn(C(C)(C)C)nc2C)CC1 ZINC000157707154 463160644 /nfs/dbraw/zinc/16/06/44/463160644.db2.gz FNNZHBHKYLQZDH-ZBFHGGJFSA-N 2 2 349.523 2.150 10 0 EEAELP CC(C)N(CC[NH+](C)C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000157758440 463166107 /nfs/dbraw/zinc/16/61/07/463166107.db2.gz PHEPVDOZXZILGH-UHFFFAOYSA-N 2 2 333.480 2.032 10 0 EEAELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cnc(Cl)s3)C2)CC1 ZINC000158989698 463263529 /nfs/dbraw/zinc/26/35/29/463263529.db2.gz RCONEEJNZKOLGM-ZDUSSCGKSA-N 2 2 328.913 2.398 10 0 EEAELP COc1ccc(CC[N@@H+]2CCN(Cc3[nH+]ccn3C)[C@@H](C)C2)cc1 ZINC000069598193 463284783 /nfs/dbraw/zinc/28/47/83/463284783.db2.gz SWGYTWVBCCPFJS-INIZCTEOSA-N 2 2 328.460 2.178 10 0 EEAELP COc1ccc(CC[N@H+]2CCN(Cc3[nH+]ccn3C)[C@@H](C)C2)cc1 ZINC000069598193 463284784 /nfs/dbraw/zinc/28/47/84/463284784.db2.gz SWGYTWVBCCPFJS-INIZCTEOSA-N 2 2 328.460 2.178 10 0 EEAELP C[N@H+](Cc1cn2ccccc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863172 463480184 /nfs/dbraw/zinc/48/01/84/463480184.db2.gz QOOLEXDNYMRVFS-UHFFFAOYSA-N 2 2 338.459 2.127 10 0 EEAELP C[N@@H+](Cc1cn2ccccc2n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863172 463480186 /nfs/dbraw/zinc/48/01/86/463480186.db2.gz QOOLEXDNYMRVFS-UHFFFAOYSA-N 2 2 338.459 2.127 10 0 EEAELP COCCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000151275549 463505809 /nfs/dbraw/zinc/50/58/09/463505809.db2.gz RPKKPEUHYXQBAK-WMZOPIPTSA-N 2 2 336.476 2.209 10 0 EEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000106123129 463506228 /nfs/dbraw/zinc/50/62/28/463506228.db2.gz IMIFQQWFMCHZOA-IBGZPJMESA-N 2 2 335.467 2.053 10 0 EEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc(F)c3)CC2)C1 ZINC000106123129 463506231 /nfs/dbraw/zinc/50/62/31/463506231.db2.gz IMIFQQWFMCHZOA-IBGZPJMESA-N 2 2 335.467 2.053 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000057815629 463521292 /nfs/dbraw/zinc/52/12/92/463521292.db2.gz MXOQEYPHCFIEMV-HZPDHXFCSA-N 2 2 345.422 2.042 10 0 EEAELP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000057815629 463521296 /nfs/dbraw/zinc/52/12/96/463521296.db2.gz MXOQEYPHCFIEMV-HZPDHXFCSA-N 2 2 345.422 2.042 10 0 EEAELP COCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000286883797 463732720 /nfs/dbraw/zinc/73/27/20/463732720.db2.gz COGFFOWAVPPCMI-ICSRJNTNSA-N 2 2 349.519 2.387 10 0 EEAELP COCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)C1 ZINC000286883797 463732722 /nfs/dbraw/zinc/73/27/22/463732722.db2.gz COGFFOWAVPPCMI-ICSRJNTNSA-N 2 2 349.519 2.387 10 0 EEAELP C[NH+](C)C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)c1ccccc1 ZINC000177585345 463742849 /nfs/dbraw/zinc/74/28/49/463742849.db2.gz DLJFFZDKGVMABH-KRWDZBQOSA-N 2 2 337.427 2.436 10 0 EEAELP CN(C(=O)NCCCn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268486669 463762543 /nfs/dbraw/zinc/76/25/43/463762543.db2.gz KUPGYXXLPSXMFK-GOSISDBHSA-N 2 2 341.459 2.189 10 0 EEAELP CN(C(=O)NCCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268486669 463762545 /nfs/dbraw/zinc/76/25/45/463762545.db2.gz KUPGYXXLPSXMFK-GOSISDBHSA-N 2 2 341.459 2.189 10 0 EEAELP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccccc3)CC2)CCO1 ZINC000171343633 463848785 /nfs/dbraw/zinc/84/87/85/463848785.db2.gz GYZDRYYHGCKLMX-INIZCTEOSA-N 2 2 331.460 2.200 10 0 EEAELP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccccc3)CC2)CCO1 ZINC000171343633 463848792 /nfs/dbraw/zinc/84/87/92/463848792.db2.gz GYZDRYYHGCKLMX-INIZCTEOSA-N 2 2 331.460 2.200 10 0 EEAELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Cl)cn1 ZINC000171386798 463855043 /nfs/dbraw/zinc/85/50/43/463855043.db2.gz WECCZIOGEPWSMY-UHFFFAOYSA-N 2 2 336.867 2.481 10 0 EEAELP c1cn(-c2csc(CN3CC[NH2+]C[C@@H]3c3ccncc3)c2)c[nH+]1 ZINC000261997077 463922142 /nfs/dbraw/zinc/92/21/42/463922142.db2.gz KVBVQMKBIRIHTJ-QGZVFWFLSA-N 2 2 325.441 2.475 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCCC[NH+]2CCOCC2)C1 ZINC000171810392 463929336 /nfs/dbraw/zinc/92/93/36/463929336.db2.gz JCWGSCVMVOGFEB-KRWDZBQOSA-N 2 2 348.491 2.112 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC000195298131 464034900 /nfs/dbraw/zinc/03/49/00/464034900.db2.gz CIODXHXABNHVGW-MSOLQXFVSA-N 2 2 335.492 2.011 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC000195298131 464034905 /nfs/dbraw/zinc/03/49/05/464034905.db2.gz CIODXHXABNHVGW-MSOLQXFVSA-N 2 2 335.492 2.011 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000195298131 464034910 /nfs/dbraw/zinc/03/49/10/464034910.db2.gz CIODXHXABNHVGW-MSOLQXFVSA-N 2 2 335.492 2.011 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000195298131 464034913 /nfs/dbraw/zinc/03/49/13/464034913.db2.gz CIODXHXABNHVGW-MSOLQXFVSA-N 2 2 335.492 2.011 10 0 EEAELP CC(C)[NH+](CCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1)C(C)C ZINC000173919234 464331378 /nfs/dbraw/zinc/33/13/78/464331378.db2.gz LPSYTACWDSJGCX-INIZCTEOSA-N 2 2 335.496 2.359 10 0 EEAELP CC(C)[NH+](CCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)C(C)C ZINC000173919234 464331383 /nfs/dbraw/zinc/33/13/83/464331383.db2.gz LPSYTACWDSJGCX-INIZCTEOSA-N 2 2 335.496 2.359 10 0 EEAELP CCC[C@@H](NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C(=O)OCC ZINC000174252900 464384679 /nfs/dbraw/zinc/38/46/79/464384679.db2.gz VYBUGJPGVAIMHM-QGZVFWFLSA-N 2 2 339.524 2.258 10 0 EEAELP CCC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(=O)OCC ZINC000174252900 464384684 /nfs/dbraw/zinc/38/46/84/464384684.db2.gz VYBUGJPGVAIMHM-QGZVFWFLSA-N 2 2 339.524 2.258 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000181005258 464432389 /nfs/dbraw/zinc/43/23/89/464432389.db2.gz DEEJHCNATXRAGZ-LSDHHAIUSA-N 2 2 349.479 2.055 10 0 EEAELP CC(C)c1noc([C@H](C)[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)n1 ZINC000174881641 464463321 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ZINC000371274508 465680786 /nfs/dbraw/zinc/68/07/86/465680786.db2.gz VYMZWXLNVUWOPX-SJORKVTESA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000371274508 465680791 /nfs/dbraw/zinc/68/07/91/465680791.db2.gz VYMZWXLNVUWOPX-SJORKVTESA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000371274508 465680797 /nfs/dbraw/zinc/68/07/97/465680797.db2.gz VYMZWXLNVUWOPX-SJORKVTESA-N 2 2 338.455 2.295 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000371274508 465680802 /nfs/dbraw/zinc/68/08/02/465680802.db2.gz VYMZWXLNVUWOPX-SJORKVTESA-N 2 2 338.455 2.295 10 0 EEAELP Cn1nc2c(c1C[NH2+]C1CCN(c3cccc[nH+]3)CC1)CCCC2 ZINC000361002034 465694498 /nfs/dbraw/zinc/69/44/98/465694498.db2.gz HYHGIRVZDOPCPI-UHFFFAOYSA-N 2 2 325.460 2.453 10 0 EEAELP OC[C@@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccnc1 ZINC000348639635 465724878 /nfs/dbraw/zinc/72/48/78/465724878.db2.gz 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331.460 2.422 10 0 EEAELP CCOC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)n1 ZINC000600119894 468465441 /nfs/dbraw/zinc/46/54/41/468465441.db2.gz DQYQRZXJNSZDBL-MRXNPFEDSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000600119894 468465444 /nfs/dbraw/zinc/46/54/44/468465444.db2.gz DQYQRZXJNSZDBL-MRXNPFEDSA-N 2 2 331.460 2.422 10 0 EEAELP CCOC(=O)c1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)n1 ZINC000600119894 468465447 /nfs/dbraw/zinc/46/54/47/468465447.db2.gz DQYQRZXJNSZDBL-MRXNPFEDSA-N 2 2 331.460 2.422 10 0 EEAELP C[N@@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C(C)(C)C1 ZINC000362835786 466059587 /nfs/dbraw/zinc/05/95/87/466059587.db2.gz AVJPSQPNIRZKLS-UHFFFAOYSA-N 2 2 349.385 2.371 10 0 EEAELP C[N@H+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2C(F)F)C(C)(C)C1 ZINC000362835786 466059593 /nfs/dbraw/zinc/05/95/93/466059593.db2.gz AVJPSQPNIRZKLS-UHFFFAOYSA-N 2 2 349.385 2.371 10 0 EEAELP CC[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361519893 466067532 /nfs/dbraw/zinc/06/75/32/466067532.db2.gz QWBQMLFRIWUWIM-INIZCTEOSA-N 2 2 346.475 2.003 10 0 EEAELP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c(C)c1 ZINC000353749657 466117284 /nfs/dbraw/zinc/11/72/84/466117284.db2.gz WOTNZYJZPQYINM-UHFFFAOYSA-N 2 2 325.460 2.482 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(I)c1 ZINC000304573906 466306225 /nfs/dbraw/zinc/30/62/25/466306225.db2.gz XIHDXCTVVRAOFY-ZDUSSCGKSA-N 2 2 330.213 2.475 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(I)c1 ZINC000304573906 466306228 /nfs/dbraw/zinc/30/62/28/466306228.db2.gz XIHDXCTVVRAOFY-ZDUSSCGKSA-N 2 2 330.213 2.475 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](c2ccccc2)[C@@H](C)O)CC1 ZINC000597249208 468495279 /nfs/dbraw/zinc/49/52/79/468495279.db2.gz NENGXNRHGCPBKP-BEFAXECRSA-N 2 2 334.460 2.116 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000358213592 466545262 /nfs/dbraw/zinc/54/52/62/466545262.db2.gz AXEIHPNZRPGKSH-GXFFZTMASA-N 2 2 341.249 2.260 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000358213592 466545267 /nfs/dbraw/zinc/54/52/67/466545267.db2.gz AXEIHPNZRPGKSH-GXFFZTMASA-N 2 2 341.249 2.260 10 0 EEAELP CC[N@H+](CCC(=O)NC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000354416935 466551144 /nfs/dbraw/zinc/55/11/44/466551144.db2.gz OAGWYTXSSAXZSY-UHFFFAOYSA-N 2 2 347.507 2.335 10 0 EEAELP CC[N@@H+](CCC(=O)NC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000354416935 466551153 /nfs/dbraw/zinc/55/11/53/466551153.db2.gz OAGWYTXSSAXZSY-UHFFFAOYSA-N 2 2 347.507 2.335 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1c1ccccc1 ZINC000368066503 466574737 /nfs/dbraw/zinc/57/47/37/466574737.db2.gz XWXZOJGAKXYXBD-KBPBESRZSA-N 2 2 329.366 2.090 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@@H]1c1ccccc1 ZINC000368066503 466574746 /nfs/dbraw/zinc/57/47/46/466574746.db2.gz XWXZOJGAKXYXBD-KBPBESRZSA-N 2 2 329.366 2.090 10 0 EEAELP c1c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[nH]nc1-c1ccccc1 ZINC000657751300 471226669 /nfs/dbraw/zinc/22/66/69/471226669.db2.gz POSTZVTZJQNPGJ-SFHVURJKSA-N 2 2 326.444 2.420 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000373308110 466761382 /nfs/dbraw/zinc/76/13/82/466761382.db2.gz ZPDKNYYQRNYCIX-RDTXWAMCSA-N 2 2 333.480 2.227 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)[C@@H]([NH3+])c2c(F)cccc2F)CC1 ZINC000423745351 466821237 /nfs/dbraw/zinc/82/12/37/466821237.db2.gz MHXHWDJRJNICOJ-PPUFBPAQSA-N 2 2 325.403 2.201 10 0 EEAELP CCCS(=O)(=O)CC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370308707 466831899 /nfs/dbraw/zinc/83/18/99/466831899.db2.gz OVRWTWUDQGAMBO-HNNXBMFYSA-N 2 2 339.505 2.224 10 0 EEAELP CCCS(=O)(=O)CC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370308707 466831902 /nfs/dbraw/zinc/83/19/02/466831902.db2.gz OVRWTWUDQGAMBO-HNNXBMFYSA-N 2 2 339.505 2.224 10 0 EEAELP COc1ccc(CN2CC[C@@H]([NH2+]Cc3c[nH+]cn3C(C)C)C2=O)cc1 ZINC000424137078 466987423 /nfs/dbraw/zinc/98/74/23/466987423.db2.gz BPPZXXNKKPHOCY-GOSISDBHSA-N 2 2 342.443 2.363 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C[NH3+])C2CC2)c(C)c1 ZINC000417943247 466996542 /nfs/dbraw/zinc/99/65/42/466996542.db2.gz UUBQOZQOOJCGKY-ZWKOTPCHSA-N 2 2 341.459 2.278 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412100504 467009725 /nfs/dbraw/zinc/00/97/25/467009725.db2.gz ISLDGCIIDUXXIG-VQIMIIECSA-N 2 2 331.460 2.190 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCCC[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000412100504 467009729 /nfs/dbraw/zinc/00/97/29/467009729.db2.gz ISLDGCIIDUXXIG-VQIMIIECSA-N 2 2 331.460 2.190 10 0 EEAELP COc1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1OC ZINC000374198794 467031620 /nfs/dbraw/zinc/03/16/20/467031620.db2.gz RDIWVMDXDHAXEB-UHFFFAOYSA-N 2 2 344.415 2.245 10 0 EEAELP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)cc1 ZINC000418461483 467114391 /nfs/dbraw/zinc/11/43/91/467114391.db2.gz LVSBOPPJFZHXIS-HNNXBMFYSA-N 2 2 342.443 2.327 10 0 EEAELP Cc1ccc(C)c(CN(C)C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000428950911 467283255 /nfs/dbraw/zinc/28/32/55/467283255.db2.gz HHACDBYNUGWSBG-UHFFFAOYSA-N 2 2 346.519 2.471 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420386730 467389253 /nfs/dbraw/zinc/38/92/53/467389253.db2.gz VMAYSLSOYAQPQA-DNVCBOLYSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420386730 467389259 /nfs/dbraw/zinc/38/92/59/467389259.db2.gz VMAYSLSOYAQPQA-DNVCBOLYSA-N 2 2 333.451 2.248 10 0 EEAELP C[N@H+](C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC000390844268 467415734 /nfs/dbraw/zinc/41/57/34/467415734.db2.gz FZGYPBLHGBODIC-KRIYCRJKSA-N 3 2 343.515 2.227 10 0 EEAELP C[N@@H+](C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC000390844268 467415735 /nfs/dbraw/zinc/41/57/35/467415735.db2.gz FZGYPBLHGBODIC-KRIYCRJKSA-N 3 2 343.515 2.227 10 0 EEAELP C[NH+](C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000390844268 467415739 /nfs/dbraw/zinc/41/57/39/467415739.db2.gz FZGYPBLHGBODIC-KRIYCRJKSA-N 3 2 343.515 2.227 10 0 EEAELP C[NH+](C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000390844268 467415743 /nfs/dbraw/zinc/41/57/43/467415743.db2.gz FZGYPBLHGBODIC-KRIYCRJKSA-N 3 2 343.515 2.227 10 0 EEAELP COc1ccc(C[NH2+][C@H]2CCC[N@H+](CCO)C2)cc1Br ZINC000395052976 467434370 /nfs/dbraw/zinc/43/43/70/467434370.db2.gz ROQVVNYSDNJTPF-ZDUSSCGKSA-N 2 2 343.265 2.004 10 0 EEAELP COc1ccc(C[NH2+][C@H]2CCC[N@@H+](CCO)C2)cc1Br ZINC000395052976 467434377 /nfs/dbraw/zinc/43/43/77/467434377.db2.gz ROQVVNYSDNJTPF-ZDUSSCGKSA-N 2 2 343.265 2.004 10 0 EEAELP COc1nccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000395114321 467435715 /nfs/dbraw/zinc/43/57/15/467435715.db2.gz CERBPPBYJJCEDN-BHIYHBOVSA-N 2 2 338.455 2.485 10 0 EEAELP COc1nccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000395114321 467435718 /nfs/dbraw/zinc/43/57/18/467435718.db2.gz CERBPPBYJJCEDN-BHIYHBOVSA-N 2 2 338.455 2.485 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000414923452 467450393 /nfs/dbraw/zinc/45/03/93/467450393.db2.gz HERWGZDZVQTBAR-QMTHXVAHSA-N 2 2 325.250 2.472 10 0 EEAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCCO2 ZINC000453269102 467474036 /nfs/dbraw/zinc/47/40/36/467474036.db2.gz RAOWZEVQNNBAKG-CRAIPNDOSA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCCO2 ZINC000453269102 467474039 /nfs/dbraw/zinc/47/40/39/467474039.db2.gz RAOWZEVQNNBAKG-CRAIPNDOSA-N 2 2 334.460 2.345 10 0 EEAELP CN(C)c1nc(N2CCC[C@@H]2c2[nH+]c3c(n2C)CCCC3)cc[nH+]1 ZINC000408030977 467497475 /nfs/dbraw/zinc/49/74/75/467497475.db2.gz JRCZPMQAPRKHAG-OAHLLOKOSA-N 2 2 326.448 2.496 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449119312 467619166 /nfs/dbraw/zinc/61/91/66/467619166.db2.gz YBUPDVOWGSBNOU-GOSISDBHSA-N 2 2 346.450 2.427 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449119312 467619167 /nfs/dbraw/zinc/61/91/67/467619167.db2.gz YBUPDVOWGSBNOU-GOSISDBHSA-N 2 2 346.450 2.427 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc(Cl)c1OC ZINC000449388554 467635492 /nfs/dbraw/zinc/63/54/92/467635492.db2.gz ALEGXOZJCSNOJD-AWEZNQCLSA-N 2 2 342.867 2.294 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc(Cl)c1OC ZINC000449388554 467635493 /nfs/dbraw/zinc/63/54/93/467635493.db2.gz ALEGXOZJCSNOJD-AWEZNQCLSA-N 2 2 342.867 2.294 10 0 EEAELP CCCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)ccc1OC ZINC000449391053 467636293 /nfs/dbraw/zinc/63/62/93/467636293.db2.gz HMUBOTFLQXBNGI-QGZVFWFLSA-N 2 2 336.476 2.420 10 0 EEAELP CCCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)ccc1OC ZINC000449391053 467636295 /nfs/dbraw/zinc/63/62/95/467636295.db2.gz HMUBOTFLQXBNGI-QGZVFWFLSA-N 2 2 336.476 2.420 10 0 EEAELP CC[C@@H]1C[C@H]1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000455359548 467670039 /nfs/dbraw/zinc/67/00/39/467670039.db2.gz PAHPJPVQXZCHGD-SJORKVTESA-N 2 2 336.524 2.282 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000457439506 467823549 /nfs/dbraw/zinc/82/35/49/467823549.db2.gz KECXYPYTOOEVGM-INIZCTEOSA-N 2 2 345.447 2.082 10 0 EEAELP Cc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000450815171 467913014 /nfs/dbraw/zinc/91/30/14/467913014.db2.gz XEUAEWBNSWUVDA-HNNXBMFYSA-N 2 2 340.475 2.204 10 0 EEAELP Cc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000450815171 467913015 /nfs/dbraw/zinc/91/30/15/467913015.db2.gz XEUAEWBNSWUVDA-HNNXBMFYSA-N 2 2 340.475 2.204 10 0 EEAELP COc1ccccc1-n1nccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514861230 467959290 /nfs/dbraw/zinc/95/92/90/467959290.db2.gz BLDIEBBZQGIRDV-LJQANCHMSA-N 2 2 326.444 2.456 10 0 EEAELP COc1ccccc1-n1nccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000514861230 467959297 /nfs/dbraw/zinc/95/92/97/467959297.db2.gz BLDIEBBZQGIRDV-LJQANCHMSA-N 2 2 326.444 2.456 10 0 EEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000516162942 468016221 /nfs/dbraw/zinc/01/62/21/468016221.db2.gz YHSZHDHJPVDIOR-MRXNPFEDSA-N 2 2 325.416 2.445 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N(C)[C@H]3C[NH+]4CCC3CC4)CC2)[nH+]c1 ZINC000600515239 468578355 /nfs/dbraw/zinc/57/83/55/468578355.db2.gz PTEYVLFVUUWKRM-SFHVURJKSA-N 2 2 342.487 2.159 10 0 EEAELP C[C@H](C(=O)NCc1cn2c([nH+]1)CCCC2)[N@@H+]1CCc2ccccc2C1 ZINC000600987606 468708691 /nfs/dbraw/zinc/70/86/91/468708691.db2.gz DQQRLWFORSBVCL-OAHLLOKOSA-N 2 2 338.455 2.282 10 0 EEAELP C[C@H](C(=O)NCc1cn2c([nH+]1)CCCC2)[N@H+]1CCc2ccccc2C1 ZINC000600987606 468708697 /nfs/dbraw/zinc/70/86/97/468708697.db2.gz DQQRLWFORSBVCL-OAHLLOKOSA-N 2 2 338.455 2.282 10 0 EEAELP CN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000601236396 468792649 /nfs/dbraw/zinc/79/26/49/468792649.db2.gz HIFBNNKDTFTQDN-KRWDZBQOSA-N 2 2 343.475 2.060 10 0 EEAELP CN(C(=O)NCc1ccc(N2CCCC2)[nH+]c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000601236396 468792654 /nfs/dbraw/zinc/79/26/54/468792654.db2.gz HIFBNNKDTFTQDN-KRWDZBQOSA-N 2 2 343.475 2.060 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[N@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)nc2c1 ZINC000595348608 468820692 /nfs/dbraw/zinc/82/06/92/468820692.db2.gz UGJPRBKFTSQPGD-JSGCOSHPSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[N@@H+](C)[C@H]3CC[NH+](C)[C@@H](C)C3)nc2c1 ZINC000595348608 468820695 /nfs/dbraw/zinc/82/06/95/468820695.db2.gz UGJPRBKFTSQPGD-JSGCOSHPSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@H+](C)[C@@H](C)C3)nc2c1 ZINC000595348608 468820699 /nfs/dbraw/zinc/82/06/99/468820699.db2.gz UGJPRBKFTSQPGD-JSGCOSHPSA-N 2 2 330.432 2.264 10 0 EEAELP COC(=O)c1ccc2[nH]c(C[NH+](C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)nc2c1 ZINC000595348608 468820703 /nfs/dbraw/zinc/82/07/03/468820703.db2.gz UGJPRBKFTSQPGD-JSGCOSHPSA-N 2 2 330.432 2.264 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)c1 ZINC000584227584 468823973 /nfs/dbraw/zinc/82/39/73/468823973.db2.gz XQUADZCHGJFJTO-MJGOQNOKSA-N 2 2 329.444 2.007 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571801534 468841835 /nfs/dbraw/zinc/84/18/35/468841835.db2.gz YRUBBDLYXZFIOS-YLJYHZDGSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571801534 468841840 /nfs/dbraw/zinc/84/18/40/468841840.db2.gz YRUBBDLYXZFIOS-YLJYHZDGSA-N 2 2 329.488 2.118 10 0 EEAELP C[C@H](C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)S(C)(=O)=O ZINC000562653722 469021123 /nfs/dbraw/zinc/02/11/23/469021123.db2.gz MJCVPKFPKAKPJA-JKSUJKDBSA-N 2 2 338.517 2.105 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@H+](C[C@@H]([NH3+])CC(C)C)C2)s1 ZINC000596106355 469157614 /nfs/dbraw/zinc/15/76/14/469157614.db2.gz OYBITSYQTARROC-STQMWFEESA-N 2 2 325.478 2.483 10 0 EEAELP COC(=O)c1cnc([C@H]2CCC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2)s1 ZINC000596106355 469157617 /nfs/dbraw/zinc/15/76/17/469157617.db2.gz OYBITSYQTARROC-STQMWFEESA-N 2 2 325.478 2.483 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N(C)[C@H]3CC[N@@H+](C4CC4)C3)CC2)[nH+]c1 ZINC000599864183 469396722 /nfs/dbraw/zinc/39/67/22/469396722.db2.gz BMMKZSWMGVJSPY-SFHVURJKSA-N 2 2 342.487 2.302 10 0 EEAELP Cc1ccc(N2CCC(C(=O)N(C)[C@H]3CC[N@H+](C4CC4)C3)CC2)[nH+]c1 ZINC000599864183 469396728 /nfs/dbraw/zinc/39/67/28/469396728.db2.gz BMMKZSWMGVJSPY-SFHVURJKSA-N 2 2 342.487 2.302 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000625872914 469419233 /nfs/dbraw/zinc/41/92/33/469419233.db2.gz QUBVZIPGFLPWJQ-XJKSGUPXSA-N 2 2 337.427 2.474 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC1CC[NH+](C3CCCC3)CC1)CC2 ZINC000625994490 469462520 /nfs/dbraw/zinc/46/25/20/469462520.db2.gz SJMHOMKGMWQUPG-OAHLLOKOSA-N 2 2 330.476 2.277 10 0 EEAELP C[C@H]1CC[C@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000629393906 469529855 /nfs/dbraw/zinc/52/98/55/469529855.db2.gz DRBHMDGPFPRWPG-WFASDCNBSA-N 2 2 328.416 2.078 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000629527002 469572650 /nfs/dbraw/zinc/57/26/50/469572650.db2.gz HKGRLMSYEJMMOB-BSDSXHPESA-N 2 2 337.895 2.442 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000629527002 469572655 /nfs/dbraw/zinc/57/26/55/469572655.db2.gz HKGRLMSYEJMMOB-BSDSXHPESA-N 2 2 337.895 2.442 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3NC(=O)[C@@H]2C)CC1 ZINC000623291439 469612106 /nfs/dbraw/zinc/61/21/06/469612106.db2.gz KYXUPVRQMMRSRR-KRWDZBQOSA-N 2 2 344.503 2.245 10 0 EEAELP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3NC(=O)[C@@H]2C)CC1 ZINC000623291439 469612110 /nfs/dbraw/zinc/61/21/10/469612110.db2.gz KYXUPVRQMMRSRR-KRWDZBQOSA-N 2 2 344.503 2.245 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623359531 469633892 /nfs/dbraw/zinc/63/38/92/469633892.db2.gz VJLPONQWBQNYCA-SFHVURJKSA-N 3 2 345.535 2.186 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cn2)CC1 ZINC000623359531 469633897 /nfs/dbraw/zinc/63/38/97/469633897.db2.gz VJLPONQWBQNYCA-SFHVURJKSA-N 3 2 345.535 2.186 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000623364847 469636145 /nfs/dbraw/zinc/63/61/45/469636145.db2.gz WNWBOJMYHGCWKB-QGZVFWFLSA-N 2 2 338.517 2.454 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]CCCS(=O)(=O)Cc2ccccc2)CC1(C)C ZINC000623364847 469636149 /nfs/dbraw/zinc/63/61/49/469636149.db2.gz WNWBOJMYHGCWKB-QGZVFWFLSA-N 2 2 338.517 2.454 10 0 EEAELP COc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1OC1CC1 ZINC000623372935 469637306 /nfs/dbraw/zinc/63/73/06/469637306.db2.gz MEKZBTZKLVGXDG-UHFFFAOYSA-N 2 2 334.460 2.173 10 0 EEAELP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C ZINC000617507000 469706539 /nfs/dbraw/zinc/70/65/39/469706539.db2.gz DVYPVODZEQAXDX-HRCADAONSA-N 2 2 339.524 2.016 10 0 EEAELP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C ZINC000617507000 469706542 /nfs/dbraw/zinc/70/65/42/469706542.db2.gz DVYPVODZEQAXDX-HRCADAONSA-N 2 2 339.524 2.016 10 0 EEAELP CN1CCOC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000623713345 469741433 /nfs/dbraw/zinc/74/14/33/469741433.db2.gz YMQKNWRCMVOTJW-QGZVFWFLSA-N 2 2 337.895 2.225 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCn1c(C)[nH+]c2ccccc21 ZINC000626923385 469755852 /nfs/dbraw/zinc/75/58/52/469755852.db2.gz RIXCPLBJFQIAOU-LSDHHAIUSA-N 2 2 329.448 2.175 10 0 EEAELP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000623876788 469786374 /nfs/dbraw/zinc/78/63/74/469786374.db2.gz FZKAONLCOMDZRG-HKUYNNGSSA-N 2 2 348.487 2.445 10 0 EEAELP Cc1ccnc2ccc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc12 ZINC000617764146 469796382 /nfs/dbraw/zinc/79/63/82/469796382.db2.gz KTMUYTIGXRJQFK-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP Cc1ccnc2ccc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc12 ZINC000617764146 469796388 /nfs/dbraw/zinc/79/63/88/469796388.db2.gz KTMUYTIGXRJQFK-UHFFFAOYSA-N 2 2 328.460 2.157 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(C(F)(F)F)c(O)c1 ZINC000617763905 469796586 /nfs/dbraw/zinc/79/65/86/469796586.db2.gz AXKCPOFJHOQZAU-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(C(F)(F)F)c(O)c1 ZINC000617763905 469796591 /nfs/dbraw/zinc/79/65/91/469796591.db2.gz AXKCPOFJHOQZAU-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000617767012 469797742 /nfs/dbraw/zinc/79/77/42/469797742.db2.gz CMIFDAVGUUOZJP-ZIAGYGMSSA-N 2 2 337.430 2.355 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000617767012 469797743 /nfs/dbraw/zinc/79/77/43/469797743.db2.gz CMIFDAVGUUOZJP-ZIAGYGMSSA-N 2 2 337.430 2.355 10 0 EEAELP C[C@@H](Oc1ccccc1Cl)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768259 469798457 /nfs/dbraw/zinc/79/84/57/469798457.db2.gz WFLSVTNSASZPPY-CQSZACIVSA-N 2 2 341.883 2.107 10 0 EEAELP C[C@@H](Oc1ccccc1Cl)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768259 469798459 /nfs/dbraw/zinc/79/84/59/469798459.db2.gz WFLSVTNSASZPPY-CQSZACIVSA-N 2 2 341.883 2.107 10 0 EEAELP Cc1cc(C)cc(C2(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC2)c1 ZINC000617767352 469799047 /nfs/dbraw/zinc/79/90/47/469799047.db2.gz QPUXLRHBAZECEV-UHFFFAOYSA-N 2 2 331.504 2.335 10 0 EEAELP Cc1cc(C)cc(C2(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CC2)c1 ZINC000617767352 469799054 /nfs/dbraw/zinc/79/90/54/469799054.db2.gz QPUXLRHBAZECEV-UHFFFAOYSA-N 2 2 331.504 2.335 10 0 EEAELP Cc1nc(N2CCC[C@H]3C[NH2+]CC[C@H]32)c(Br)c(C)[nH+]1 ZINC000630385132 469830671 /nfs/dbraw/zinc/83/06/71/469830671.db2.gz BHCWVSFRACAZAR-NWDGAFQWSA-N 2 2 325.254 2.434 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)CC2 ZINC000627284827 469866161 /nfs/dbraw/zinc/86/61/61/469866161.db2.gz LEDLOQPIFDEGTM-RDJZCZTQSA-N 2 2 344.434 2.312 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)CC2 ZINC000627284826 469866242 /nfs/dbraw/zinc/86/62/42/469866242.db2.gz LEDLOQPIFDEGTM-NVXWUHKLSA-N 2 2 344.434 2.312 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(c3nc4ccccc4n4c[nH+]cc34)[C@H]2C1 ZINC000624245802 469885054 /nfs/dbraw/zinc/88/50/54/469885054.db2.gz QHOGBOIFSKRUDJ-ZWKOTPCHSA-N 2 2 337.427 2.182 10 0 EEAELP CC[N@H+]1CC[C@H]2OCCN(c3nc4ccccc4n4c[nH+]cc34)[C@H]2C1 ZINC000624245802 469885057 /nfs/dbraw/zinc/88/50/57/469885057.db2.gz QHOGBOIFSKRUDJ-ZWKOTPCHSA-N 2 2 337.427 2.182 10 0 EEAELP C[C@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631110168 470070584 /nfs/dbraw/zinc/07/05/84/470070584.db2.gz KWOZWNWYMNTHLI-ULQDDVLXSA-N 2 2 347.507 2.057 10 0 EEAELP C[C@H]([NH2+]Cc1cn(C[C@@H]2CCOC2)nn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000631110168 470070588 /nfs/dbraw/zinc/07/05/88/470070588.db2.gz KWOZWNWYMNTHLI-ULQDDVLXSA-N 2 2 347.507 2.057 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cscc3Cl)C2)CC1 ZINC000631259379 470104583 /nfs/dbraw/zinc/10/45/83/470104583.db2.gz RMRCQSBIYHPNPU-LLVKDONJSA-N 2 2 327.881 2.300 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cscc3Cl)C2)CC1 ZINC000631259379 470104584 /nfs/dbraw/zinc/10/45/84/470104584.db2.gz RMRCQSBIYHPNPU-LLVKDONJSA-N 2 2 327.881 2.300 10 0 EEAELP COc1cncc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000625395168 470134458 /nfs/dbraw/zinc/13/44/58/470134458.db2.gz FKGXOHBZTJPVQG-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP COc1cncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000625395168 470134460 /nfs/dbraw/zinc/13/44/60/470134460.db2.gz FKGXOHBZTJPVQG-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842899 470186950 /nfs/dbraw/zinc/18/69/50/470186950.db2.gz HENNKFCOZZBDAP-VXGBXAGGSA-N 2 2 325.840 2.122 10 0 EEAELP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842899 470186951 /nfs/dbraw/zinc/18/69/51/470186951.db2.gz HENNKFCOZZBDAP-VXGBXAGGSA-N 2 2 325.840 2.122 10 0 EEAELP O[C@@]1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715984 470285565 /nfs/dbraw/zinc/28/55/65/470285565.db2.gz MVGKVSLFZJKFES-HXUWFJFHSA-N 3 2 336.439 2.061 10 0 EEAELP O[C@@]1(C[NH2+]Cc2ccc3c[nH+]cn3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715984 470285566 /nfs/dbraw/zinc/28/55/66/470285566.db2.gz MVGKVSLFZJKFES-HXUWFJFHSA-N 3 2 336.439 2.061 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000632911745 470286377 /nfs/dbraw/zinc/28/63/77/470286377.db2.gz VNQBTDFMIGMSPC-HLLBOEOZSA-N 2 2 346.475 2.138 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3c(c(Cl)c1)OCO3)CCO2 ZINC000646103524 470527952 /nfs/dbraw/zinc/52/79/52/470527952.db2.gz HRHGSPZNLFFMRJ-UHFFFAOYSA-N 2 2 338.835 2.365 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3c(c(Cl)c1)OCO3)CCO2 ZINC000646103524 470527956 /nfs/dbraw/zinc/52/79/56/470527956.db2.gz HRHGSPZNLFFMRJ-UHFFFAOYSA-N 2 2 338.835 2.365 10 0 EEAELP C(C[NH+]1CCCC1)OC1CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000639509273 470531707 /nfs/dbraw/zinc/53/17/07/470531707.db2.gz YAAFXPZIACWPKE-UHFFFAOYSA-N 2 2 334.464 2.099 10 0 EEAELP CC[C@@H]1C[N@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@H]1[NH3+] ZINC000649416593 470580989 /nfs/dbraw/zinc/58/09/89/470580989.db2.gz FSHILTLWZXCBDE-IAGOWNOFSA-N 2 2 347.507 2.461 10 0 EEAELP CC[C@@H]1C[N@@H+](CC(=O)Nc2ccnn2CC2CCCCC2)CC[C@H]1[NH3+] ZINC000649416593 470580992 /nfs/dbraw/zinc/58/09/92/470580992.db2.gz FSHILTLWZXCBDE-IAGOWNOFSA-N 2 2 347.507 2.461 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)C1CC1 ZINC000649916736 470742986 /nfs/dbraw/zinc/74/29/86/470742986.db2.gz MIBLZRNFDNGCPX-MUGJNUQGSA-N 2 2 330.472 2.436 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)C1CC1 ZINC000649916736 470742989 /nfs/dbraw/zinc/74/29/89/470742989.db2.gz MIBLZRNFDNGCPX-MUGJNUQGSA-N 2 2 330.472 2.436 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)C1CC1 ZINC000649916736 470742992 /nfs/dbraw/zinc/74/29/92/470742992.db2.gz MIBLZRNFDNGCPX-MUGJNUQGSA-N 2 2 330.472 2.436 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)C1CC1 ZINC000649916736 470742996 /nfs/dbraw/zinc/74/29/96/470742996.db2.gz MIBLZRNFDNGCPX-MUGJNUQGSA-N 2 2 330.472 2.436 10 0 EEAELP Cn1cc[nH+]c1[C@H]1N(C(=O)Cn2c[nH+]c3c2CCCC3)CC1(C)C ZINC000650670152 470936484 /nfs/dbraw/zinc/93/64/84/470936484.db2.gz ZAKFWEJZKCZAIG-MRXNPFEDSA-N 2 2 327.432 2.105 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000650715130 470948971 /nfs/dbraw/zinc/94/89/71/470948971.db2.gz QTCZUTRRHIIFSU-SJLPKXTDSA-N 2 2 348.878 2.380 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000650715130 470948974 /nfs/dbraw/zinc/94/89/74/470948974.db2.gz QTCZUTRRHIIFSU-SJLPKXTDSA-N 2 2 348.878 2.380 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000650789171 470967651 /nfs/dbraw/zinc/96/76/51/470967651.db2.gz BLNKLYAIBJGYHO-UHFFFAOYSA-N 2 2 327.432 2.139 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903663 471013452 /nfs/dbraw/zinc/01/34/52/471013452.db2.gz NXIGNPDPOLLBSC-MJGOQNOKSA-N 2 2 345.487 2.166 10 0 EEAELP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647903663 471013457 /nfs/dbraw/zinc/01/34/57/471013457.db2.gz NXIGNPDPOLLBSC-MJGOQNOKSA-N 2 2 345.487 2.166 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000648152515 471102584 /nfs/dbraw/zinc/10/25/84/471102584.db2.gz WIGUQPMXYNTJDE-CYBMUJFWSA-N 2 2 331.391 2.396 10 0 EEAELP COc1nsc(C[NH2+]CCn2cc[nH+]c2C)c1Br ZINC000638463378 471105950 /nfs/dbraw/zinc/10/59/50/471105950.db2.gz UCEGCLDCVVOBQA-UHFFFAOYSA-N 2 2 331.239 2.209 10 0 EEAELP CCn1c[nH+]cc1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000651946593 471179842 /nfs/dbraw/zinc/17/98/42/471179842.db2.gz OWCIJSDEOKFXKM-PMACEKPBSA-N 2 2 340.471 2.378 10 0 EEAELP CCn1c[nH+]cc1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000651946593 471179846 /nfs/dbraw/zinc/17/98/46/471179846.db2.gz OWCIJSDEOKFXKM-PMACEKPBSA-N 2 2 340.471 2.378 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000652285067 471266673 /nfs/dbraw/zinc/26/66/73/471266673.db2.gz KTDLHIWOMHTVAB-INIZCTEOSA-N 2 2 327.432 2.218 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@H]1C[NH3+] ZINC000652356595 471278150 /nfs/dbraw/zinc/27/81/50/471278150.db2.gz VZYUBTLBFUWZOW-JGGQBBKZSA-N 2 2 346.431 2.102 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)c2nc(-c3ccc(OC)cc3)no2)C[C@H]1C[NH3+] ZINC000652356595 471278152 /nfs/dbraw/zinc/27/81/52/471278152.db2.gz VZYUBTLBFUWZOW-JGGQBBKZSA-N 2 2 346.431 2.102 10 0 EEAELP COc1cc2cc[nH+]c(N(C)CC[NH+]3CCOCC3)c2cc1OC ZINC000663528004 471412989 /nfs/dbraw/zinc/41/29/89/471412989.db2.gz CRYMZXGZWFDVSG-UHFFFAOYSA-N 2 2 331.416 2.020 10 0 EEAELP CC[C@H](CO)[NH+]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000663670495 471467726 /nfs/dbraw/zinc/46/77/26/471467726.db2.gz JKEBFBZATLZHLX-OAHLLOKOSA-N 2 2 345.443 2.145 10 0 EEAELP CNC(=O)C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655764939 471475089 /nfs/dbraw/zinc/47/50/89/471475089.db2.gz VOXQHMXLPZSYCG-MOPGFXCFSA-N 2 2 345.487 2.097 10 0 EEAELP CCn1cc[nH+]c1[C@H](C)NC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659039271 471481093 /nfs/dbraw/zinc/48/10/93/471481093.db2.gz AWHCLLZRDMWYST-BBRMVZONSA-N 2 2 343.431 2.447 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902456 471544205 /nfs/dbraw/zinc/54/42/05/471544205.db2.gz KTFIQDJHVFJWHS-MOPGFXCFSA-N 2 2 332.488 2.347 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000660902456 471544209 /nfs/dbraw/zinc/54/42/09/471544209.db2.gz KTFIQDJHVFJWHS-MOPGFXCFSA-N 2 2 332.488 2.347 10 0 EEAELP CC[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000669547603 471546974 /nfs/dbraw/zinc/54/69/74/471546974.db2.gz JRZAXRYSDOKKFZ-HZPDHXFCSA-N 2 2 340.418 2.009 10 0 EEAELP CC[NH2+]CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000669547603 471546978 /nfs/dbraw/zinc/54/69/78/471546978.db2.gz JRZAXRYSDOKKFZ-HZPDHXFCSA-N 2 2 340.418 2.009 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000656133205 471600360 /nfs/dbraw/zinc/60/03/60/471600360.db2.gz PKVOLSJADWTCOV-KRWDZBQOSA-N 2 2 341.459 2.319 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000656133205 471600367 /nfs/dbraw/zinc/60/03/67/471600367.db2.gz PKVOLSJADWTCOV-KRWDZBQOSA-N 2 2 341.459 2.319 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@@H]3CCC[N@@H+]3CCCO)n2)C1 ZINC000656193100 471629206 /nfs/dbraw/zinc/62/92/06/471629206.db2.gz NXPWUOAQRKEQKW-INIZCTEOSA-N 2 2 347.507 2.362 10 0 EEAELP CC1(C)CCCN(c2cc[nH+]c(NC[C@@H]3CCC[N@H+]3CCCO)n2)C1 ZINC000656193100 471629213 /nfs/dbraw/zinc/62/92/13/471629213.db2.gz NXPWUOAQRKEQKW-INIZCTEOSA-N 2 2 347.507 2.362 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000659474095 471646292 /nfs/dbraw/zinc/64/62/92/471646292.db2.gz QTDXUEYFJQQGKJ-VQISRLSMSA-N 2 2 342.846 2.131 10 0 EEAELP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000659474095 471646298 /nfs/dbraw/zinc/64/62/98/471646298.db2.gz QTDXUEYFJQQGKJ-VQISRLSMSA-N 2 2 342.846 2.131 10 0 EEAELP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000653636894 471696692 /nfs/dbraw/zinc/69/66/92/471696692.db2.gz UKDYELCHZPNIDM-YPMHNXCESA-N 2 2 345.281 2.421 10 0 EEAELP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000653636894 471696698 /nfs/dbraw/zinc/69/66/98/471696698.db2.gz UKDYELCHZPNIDM-YPMHNXCESA-N 2 2 345.281 2.421 10 0 EEAELP COc1ccc(COC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656703619 471811768 /nfs/dbraw/zinc/81/17/68/471811768.db2.gz YXWFSTGYFXHPQF-IRXDYDNUSA-N 2 2 336.476 2.035 10 0 EEAELP COc1ccc(COC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656703619 471811773 /nfs/dbraw/zinc/81/17/73/471811773.db2.gz YXWFSTGYFXHPQF-IRXDYDNUSA-N 2 2 336.476 2.035 10 0 EEAELP C[C@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)[N@@H+]1CCc2ccccc2C1 ZINC000660280825 471926812 /nfs/dbraw/zinc/92/68/12/471926812.db2.gz BPZVGTYETSEJPD-HUUCEWRRSA-N 2 2 341.459 2.227 10 0 EEAELP C[C@H](CNC(=O)N[C@H](C)c1[nH+]ccn1C)[N@H+]1CCc2ccccc2C1 ZINC000660280825 471926813 /nfs/dbraw/zinc/92/68/13/471926813.db2.gz BPZVGTYETSEJPD-HUUCEWRRSA-N 2 2 341.459 2.227 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000654400050 471943428 /nfs/dbraw/zinc/94/34/28/471943428.db2.gz AOFBPICKZCCFJG-FZNQNYSPSA-N 2 2 327.432 2.012 10 0 EEAELP C[N@H+](Cc1cccc(N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333467 471947777 /nfs/dbraw/zinc/94/77/77/471947777.db2.gz AVWOIXNCTJAHJG-HXUWFJFHSA-N 2 2 325.456 2.338 10 0 EEAELP C[N@@H+](Cc1cccc(N)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333467 471947784 /nfs/dbraw/zinc/94/77/84/471947784.db2.gz AVWOIXNCTJAHJG-HXUWFJFHSA-N 2 2 325.456 2.338 10 0 EEAELP C[NH+](Cc1cccc(N)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660333467 471947789 /nfs/dbraw/zinc/94/77/89/471947789.db2.gz AVWOIXNCTJAHJG-HXUWFJFHSA-N 2 2 325.456 2.338 10 0 EEAELP C[NH+](Cc1cccc(N)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660333467 471947793 /nfs/dbraw/zinc/94/77/93/471947793.db2.gz AVWOIXNCTJAHJG-HXUWFJFHSA-N 2 2 325.456 2.338 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(C(F)(F)F)CCCC3)C2)CC1 ZINC000667954466 471961994 /nfs/dbraw/zinc/96/19/94/471961994.db2.gz JYWTWOOKIXLSNX-ZDUSSCGKSA-N 2 2 347.425 2.394 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(C(F)(F)F)CCCC3)C2)CC1 ZINC000667954466 471961997 /nfs/dbraw/zinc/96/19/97/471961997.db2.gz JYWTWOOKIXLSNX-ZDUSSCGKSA-N 2 2 347.425 2.394 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](CCc2cccs2)CC1)c1[nH+]ccn1C ZINC000662096248 471984635 /nfs/dbraw/zinc/98/46/35/471984635.db2.gz JDGOQBKLRFXLPN-AWEZNQCLSA-N 2 2 347.488 2.113 10 0 EEAELP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)C1 ZINC000662153679 472012130 /nfs/dbraw/zinc/01/21/30/472012130.db2.gz BZDKMUZJZNHWKZ-SFHVURJKSA-N 2 2 329.419 2.405 10 0 EEAELP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)C1 ZINC000662153679 472012134 /nfs/dbraw/zinc/01/21/34/472012134.db2.gz BZDKMUZJZNHWKZ-SFHVURJKSA-N 2 2 329.419 2.405 10 0 EEAELP Cc1cn2ccc(NC(=O)N3CCO[C@@H](CCC[NH+](C)C)C3)cc2[nH+]1 ZINC000668168818 472036846 /nfs/dbraw/zinc/03/68/46/472036846.db2.gz BMVQFPSNDKGTCG-INIZCTEOSA-N 2 2 345.447 2.217 10 0 EEAELP Cc1cc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)nc(N2CCCC2)n1 ZINC000668188840 472042495 /nfs/dbraw/zinc/04/24/95/472042495.db2.gz QMOGABGTPVREPJ-UHFFFAOYSA-N 2 2 349.442 2.256 10 0 EEAELP COc1ccc(Cl)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000665862581 472217103 /nfs/dbraw/zinc/21/71/03/472217103.db2.gz GCUKBCNHKTVIFC-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP COc1ccc(Cl)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665862581 472217106 /nfs/dbraw/zinc/21/71/06/472217106.db2.gz GCUKBCNHKTVIFC-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000673862199 485559899 /nfs/dbraw/zinc/55/98/99/485559899.db2.gz VXMGWWRUJPEDNP-MRXNPFEDSA-N 2 2 337.387 2.333 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000559480222 485562814 /nfs/dbraw/zinc/56/28/14/485562814.db2.gz XBJFLWOBKQWVCX-CZUORRHYSA-N 2 2 328.416 2.251 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1CCC[C@@H](O)CC1 ZINC000559480222 485562820 /nfs/dbraw/zinc/56/28/20/485562820.db2.gz XBJFLWOBKQWVCX-CZUORRHYSA-N 2 2 328.416 2.251 10 0 EEAELP C[C@@H]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000679762122 485808470 /nfs/dbraw/zinc/80/84/70/485808470.db2.gz OUHZJGYPIUWMIN-FUHIMQAGSA-N 2 2 348.535 2.377 10 0 EEAELP C[C@@H]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)C2)C1 ZINC000679762122 485808475 /nfs/dbraw/zinc/80/84/75/485808475.db2.gz OUHZJGYPIUWMIN-FUHIMQAGSA-N 2 2 348.535 2.377 10 0 EEAELP CO[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000684373872 485862640 /nfs/dbraw/zinc/86/26/40/485862640.db2.gz DDFAOXXVQLIAGS-MJGOQNOKSA-N 3 2 332.492 2.141 10 0 EEAELP Cc1nc([C@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(C)s1 ZINC000679993437 485865271 /nfs/dbraw/zinc/86/52/71/485865271.db2.gz GSZILQSOWJIXOH-FZMZJTMJSA-N 2 2 347.488 2.335 10 0 EEAELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(-n2cnnn2)c1 ZINC000675747616 486060590 /nfs/dbraw/zinc/06/05/90/486060590.db2.gz AXZQZYCVZUKNSG-HNNXBMFYSA-N 2 2 349.442 2.377 10 0 EEAELP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(OC)c1 ZINC000675885817 486089777 /nfs/dbraw/zinc/08/97/77/486089777.db2.gz HQUNQXWFPARRGZ-AZUAARDMSA-N 2 2 347.503 2.142 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000533847216 490611546 /nfs/dbraw/zinc/61/15/46/490611546.db2.gz JMRAOQVWFXQSGM-GOSISDBHSA-N 2 2 339.443 2.485 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)C1 ZINC000533847216 490611547 /nfs/dbraw/zinc/61/15/47/490611547.db2.gz JMRAOQVWFXQSGM-GOSISDBHSA-N 2 2 339.443 2.485 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000533847216 490611551 /nfs/dbraw/zinc/61/15/51/490611551.db2.gz JMRAOQVWFXQSGM-GOSISDBHSA-N 2 2 339.443 2.485 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000533847216 490611554 /nfs/dbraw/zinc/61/15/54/490611554.db2.gz JMRAOQVWFXQSGM-GOSISDBHSA-N 2 2 339.443 2.485 10 0 EEAELP c1cn(-c2ccc(C[NH+]3CCC(c4nnc5n4CCC5)CC3)cn2)c[nH+]1 ZINC000750040055 577986032 /nfs/dbraw/zinc/98/60/32/577986032.db2.gz RGMPFLKMSOEDBN-UHFFFAOYSA-N 2 2 349.442 2.185 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000739875188 578071049 /nfs/dbraw/zinc/07/10/49/578071049.db2.gz IFWNPIATLVYCSW-OAHLLOKOSA-N 2 2 342.443 2.198 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000739875188 578071050 /nfs/dbraw/zinc/07/10/50/578071050.db2.gz IFWNPIATLVYCSW-OAHLLOKOSA-N 2 2 342.443 2.198 10 0 EEAELP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000926255516 676859744 /nfs/dbraw/zinc/85/97/44/676859744.db2.gz XCZODALQRBJALS-UKRRQHHQSA-N 2 2 337.489 2.469 10 0 EEAELP CCOC(=O)c1csc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000926255516 676859746 /nfs/dbraw/zinc/85/97/46/676859746.db2.gz XCZODALQRBJALS-UKRRQHHQSA-N 2 2 337.489 2.469 10 0 EEAELP Cc1[nH+]ccn1CCCC[NH+]1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000179041584 684483425 /nfs/dbraw/zinc/48/34/25/684483425.db2.gz KUWKSAKZFAGMKB-HXUWFJFHSA-N 2 2 342.487 2.323 10 0 EEAELP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[nH]c1C(C)C ZINC000895332120 684502603 /nfs/dbraw/zinc/50/26/03/684502603.db2.gz FVMVWORSXAMOPF-INIZCTEOSA-N 2 2 349.475 2.268 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2C[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570804 1191839880 /nfs/dbraw/zinc/83/98/80/1191839880.db2.gz GMIJSMVUHKAWHN-ZBFHGGJFSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2C[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570804 1191839881 /nfs/dbraw/zinc/83/98/81/1191839881.db2.gz GMIJSMVUHKAWHN-ZBFHGGJFSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570804 1191839882 /nfs/dbraw/zinc/83/98/82/1191839882.db2.gz GMIJSMVUHKAWHN-ZBFHGGJFSA-N 2 2 348.491 2.355 10 0 EEAELP Cc1cnc([C@@H](C)[NH+]2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)C(C)(C)C2)o1 ZINC001485570804 1191839883 /nfs/dbraw/zinc/83/98/83/1191839883.db2.gz GMIJSMVUHKAWHN-ZBFHGGJFSA-N 2 2 348.491 2.355 10 0 EEAELP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C)on2)CC1(C)C ZINC001485582572 1191849064 /nfs/dbraw/zinc/84/90/64/1191849064.db2.gz RJNPQDCVBCFJJA-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cc(C)on2)CC1(C)C ZINC001485582572 1191849065 /nfs/dbraw/zinc/84/90/65/1191849065.db2.gz RJNPQDCVBCFJJA-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cc(C)on2)CC1(C)C ZINC001485582572 1191849067 /nfs/dbraw/zinc/84/90/67/1191849067.db2.gz RJNPQDCVBCFJJA-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cc(C)on2)CC1(C)C ZINC001485582572 1191849068 /nfs/dbraw/zinc/84/90/68/1191849068.db2.gz RJNPQDCVBCFJJA-MRXNPFEDSA-N 2 2 336.480 2.042 10 0 EEAELP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001485646884 1191878375 /nfs/dbraw/zinc/87/83/75/1191878375.db2.gz MIFDPXNYHPAUEA-DOTOQJQBSA-N 2 2 346.475 2.048 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@@H+](C/C=C\Cl)C[C@@H]2C1 ZINC001485656930 1191891250 /nfs/dbraw/zinc/89/12/50/1191891250.db2.gz LEUFPXYDVSAJJQ-UDLDRSBPSA-N 2 2 336.867 2.242 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1CC[C@@H]2C[N@H+](C/C=C\Cl)C[C@@H]2C1 ZINC001485656930 1191891251 /nfs/dbraw/zinc/89/12/51/1191891251.db2.gz LEUFPXYDVSAJJQ-UDLDRSBPSA-N 2 2 336.867 2.242 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H]1C[C@H](C[NH2+]CCc2cccs2)C1 ZINC001485690535 1191892633 /nfs/dbraw/zinc/89/26/33/1191892633.db2.gz HTJMJDBETUVRKF-SHTZXODSSA-N 2 2 346.500 2.141 10 0 EEAELP C[C@H]([NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1)c1c(F)cccc1F ZINC001670365247 1176463591 /nfs/dbraw/zinc/46/35/91/1176463591.db2.gz MLEREJJBYHTLAT-ZDUSSCGKSA-N 2 2 336.386 2.361 10 0 EEAELP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001266745603 1177336491 /nfs/dbraw/zinc/33/64/91/1177336491.db2.gz CRENYPGDGWGUMA-INIZCTEOSA-N 2 2 330.476 2.074 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001266868821 1177637111 /nfs/dbraw/zinc/63/71/11/1177637111.db2.gz KIWZPGJQVPYHTI-ZDUSSCGKSA-N 2 2 332.370 2.265 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001266868821 1177637117 /nfs/dbraw/zinc/63/71/17/1177637117.db2.gz KIWZPGJQVPYHTI-ZDUSSCGKSA-N 2 2 332.370 2.265 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@@H]1CC[NH2+]CCC1CC1 ZINC001691310155 1177883806 /nfs/dbraw/zinc/88/38/06/1177883806.db2.gz YPHXHKFZWZROSB-CRAIPNDOSA-N 2 2 332.492 2.370 10 0 EEAELP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001691443805 1178821960 /nfs/dbraw/zinc/82/19/60/1178821960.db2.gz GJADHJITAQIDPC-XDXAGZTOSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH2+]CCN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001691443805 1178821965 /nfs/dbraw/zinc/82/19/65/1178821965.db2.gz GJADHJITAQIDPC-XDXAGZTOSA-N 2 2 337.508 2.034 10 0 EEAELP O=C(NC[C@H]([NH2+]CCCF)c1ccccc1)[C@H]1CCc2c[nH+]cn2C1 ZINC001267519602 1179246430 /nfs/dbraw/zinc/24/64/30/1179246430.db2.gz FJGNIVDOWKFYGJ-WMZOPIPTSA-N 2 2 344.434 2.252 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC1=CCCCC1 ZINC001480983775 1179424648 /nfs/dbraw/zinc/42/46/48/1179424648.db2.gz MQFUJZJWPBCGKG-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC1=CCCCC1 ZINC001480983775 1179424652 /nfs/dbraw/zinc/42/46/52/1179424652.db2.gz MQFUJZJWPBCGKG-KRWDZBQOSA-N 2 2 330.476 2.384 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1cccc(C(C)C)n1 ZINC001481016250 1179501478 /nfs/dbraw/zinc/50/14/78/1179501478.db2.gz HLWFFZDIDWTMFM-UHFFFAOYSA-N 2 2 343.475 2.348 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C)Cc1cccc(C(C)C)n1 ZINC001481016250 1179501480 /nfs/dbraw/zinc/50/14/80/1179501480.db2.gz HLWFFZDIDWTMFM-UHFFFAOYSA-N 2 2 343.475 2.348 10 0 EEAELP Cc1ncc(C[N@@H+](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001481188147 1180035890 /nfs/dbraw/zinc/03/58/90/1180035890.db2.gz VWUNLUPSKPPEIL-OAHLLOKOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1ncc(C[N@H+](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C2CC2)o1 ZINC001481188147 1180035898 /nfs/dbraw/zinc/03/58/98/1180035898.db2.gz VWUNLUPSKPPEIL-OAHLLOKOSA-N 2 2 348.491 2.328 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267657582 1180116158 /nfs/dbraw/zinc/11/61/58/1180116158.db2.gz AEGZFFKCPMFLBV-DLBZAZTESA-N 2 2 330.476 2.192 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001267657582 1180116159 /nfs/dbraw/zinc/11/61/59/1180116159.db2.gz AEGZFFKCPMFLBV-DLBZAZTESA-N 2 2 330.476 2.192 10 0 EEAELP CC(C)C[C@@H](C(=O)N(C)CC[NH2+]Cc1cncc(F)c1)n1cc[nH+]c1 ZINC001481242280 1180412923 /nfs/dbraw/zinc/41/29/23/1180412923.db2.gz YJTCXXGWAQWNEQ-KRWDZBQOSA-N 2 2 347.438 2.253 10 0 EEAELP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC001481249641 1180462389 /nfs/dbraw/zinc/46/23/89/1180462389.db2.gz IDKMZIBGFNNSLP-KRWDZBQOSA-N 2 2 340.471 2.311 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001267771732 1180478093 /nfs/dbraw/zinc/47/80/93/1180478093.db2.gz MKNHZFMQRYIPGT-BZUAXINKSA-N 2 2 336.455 2.196 10 0 EEAELP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001267771732 1180478098 /nfs/dbraw/zinc/47/80/98/1180478098.db2.gz MKNHZFMQRYIPGT-BZUAXINKSA-N 2 2 336.455 2.196 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@](C)(C[NH2+]CC1=CCCCC1)C1CC1 ZINC001267863787 1180649132 /nfs/dbraw/zinc/64/91/32/1180649132.db2.gz OYDCYOCLKZIIGP-LJQANCHMSA-N 2 2 330.476 2.338 10 0 EEAELP CCOCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001267924254 1180773676 /nfs/dbraw/zinc/77/36/76/1180773676.db2.gz GZHLJDJDEHERNZ-QAQDUYKDSA-N 2 2 344.459 2.310 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(Cl)n1 ZINC001481354816 1181107327 /nfs/dbraw/zinc/10/73/27/1181107327.db2.gz MGIJKEDXLFSNHY-UHFFFAOYSA-N 2 2 349.866 2.418 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)Cc1c[nH]c[nH+]1)Cc1cccc(Cl)n1 ZINC001481354816 1181107330 /nfs/dbraw/zinc/10/73/30/1181107330.db2.gz MGIJKEDXLFSNHY-UHFFFAOYSA-N 2 2 349.866 2.418 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001481463560 1181469422 /nfs/dbraw/zinc/46/94/22/1181469422.db2.gz HPKFOYBCHFIWOV-HUUCEWRRSA-N 2 2 340.418 2.147 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[C@@H]1CC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001481463560 1181469423 /nfs/dbraw/zinc/46/94/23/1181469423.db2.gz HPKFOYBCHFIWOV-HUUCEWRRSA-N 2 2 340.418 2.147 10 0 EEAELP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001268070807 1181668563 /nfs/dbraw/zinc/66/85/63/1181668563.db2.gz JSGTZJNBZIXNJX-RDJZCZTQSA-N 2 2 330.476 2.382 10 0 EEAELP CCC[N@H+](C)CCC(=O)NC1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001481596908 1181834659 /nfs/dbraw/zinc/83/46/59/1181834659.db2.gz HWLOTXNDEIMXEB-OAHLLOKOSA-N 2 2 333.476 2.289 10 0 EEAELP CCC[N@@H+](C)CCC(=O)NC1C[NH+]([C@H](C)c2cccc(OC)c2)C1 ZINC001481596908 1181834662 /nfs/dbraw/zinc/83/46/62/1181834662.db2.gz HWLOTXNDEIMXEB-OAHLLOKOSA-N 2 2 333.476 2.289 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1CC[NH2+]CC[C@H]1CCOC1 ZINC001268163080 1181877224 /nfs/dbraw/zinc/87/72/24/1181877224.db2.gz RBBJPHAGJMQSDR-DLBZAZTESA-N 2 2 348.491 2.048 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCC1C[NH+](Cc2cc3ccccc3o2)C1 ZINC001481635756 1181992078 /nfs/dbraw/zinc/99/20/78/1181992078.db2.gz OTRDVNBWHAPETG-UHFFFAOYSA-N 2 2 338.411 2.186 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268278390 1182144062 /nfs/dbraw/zinc/14/40/62/1182144062.db2.gz NROHVNHBLCGKGS-DGCLKSJQSA-N 2 2 332.370 2.169 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@@H]1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001268278390 1182144065 /nfs/dbraw/zinc/14/40/65/1182144065.db2.gz NROHVNHBLCGKGS-DGCLKSJQSA-N 2 2 332.370 2.169 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)oc1C ZINC001268407808 1182530299 /nfs/dbraw/zinc/53/02/99/1182530299.db2.gz VRRFXJOPVRVPSD-QWHCGFSZSA-N 2 2 333.436 2.124 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@H]1CCCC1(F)F)NC(=O)Cc1c[nH+]cn1C ZINC001268414166 1182568027 /nfs/dbraw/zinc/56/80/27/1182568027.db2.gz JHJMQWFTQJFITR-UONOGXRCSA-N 2 2 342.434 2.273 10 0 EEAELP CC/C=C\CC[NH+]1CC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001268452577 1182662976 /nfs/dbraw/zinc/66/29/76/1182662976.db2.gz BAVIFQCPRGORQZ-MJRGOJFPSA-N 2 2 325.472 2.356 10 0 EEAELP CC/C=C\CC[NH+]1CC(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001268452577 1182662979 /nfs/dbraw/zinc/66/29/79/1182662979.db2.gz BAVIFQCPRGORQZ-MJRGOJFPSA-N 2 2 325.472 2.356 10 0 EEAELP CC[C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]Cc1ncc(C)s1 ZINC001481825152 1182753276 /nfs/dbraw/zinc/75/32/76/1182753276.db2.gz IJJNPULIIPLXNU-AWEZNQCLSA-N 2 2 349.504 2.376 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC1(C[NH2+]CC[C@@H]2CCCCO2)CCCC1 ZINC001481903017 1182914975 /nfs/dbraw/zinc/91/49/75/1182914975.db2.gz ZKIZUZJJTHUVOU-KRWDZBQOSA-N 2 2 348.491 2.251 10 0 EEAELP C[C@](C[NH2+]Cc1ccncc1Cl)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001481953123 1183010831 /nfs/dbraw/zinc/01/08/31/1183010831.db2.gz VRKRGWISURFPCA-QGZVFWFLSA-N 2 2 347.850 2.006 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001481981831 1183076895 /nfs/dbraw/zinc/07/68/95/1183076895.db2.gz ZSRZUDWUGRINSE-QZTJIDSGSA-N 2 2 344.503 2.464 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC001482021241 1183146262 /nfs/dbraw/zinc/14/62/62/1183146262.db2.gz UXCHGSZTOIMVHY-BZSNNMDCSA-N 2 2 348.491 2.249 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C/C[NH2+]Cc1ccccc1C1CC1 ZINC001268614043 1183529316 /nfs/dbraw/zinc/52/93/16/1183529316.db2.gz SHUNXKUKYDHFLH-SNAWJCMRSA-N 2 2 338.455 2.302 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2Cl ZINC001268633243 1183560807 /nfs/dbraw/zinc/56/08/07/1183560807.db2.gz KXNDFLLDGREILH-YYZONTRBSA-N 2 2 344.846 2.486 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@@H](C)C[NH2+]CCc2ccns2)c(C)[nH+]1 ZINC001268696174 1183618543 /nfs/dbraw/zinc/61/85/43/1183618543.db2.gz HBAPTQZCRJCHCO-ZDUSSCGKSA-N 2 2 332.473 2.414 10 0 EEAELP CC[C@@H](CNC(=O)c1ccn2c(C)c[nH+]c2c1)[NH2+]CCOC1CCC1 ZINC001269401298 1184240678 /nfs/dbraw/zinc/24/06/78/1184240678.db2.gz BAKKAVCQYJCVMY-INIZCTEOSA-N 2 2 344.459 2.310 10 0 EEAELP CC1CC(C[NH2+]CCC2CCN(C(=O)Cc3c[nH+]cn3C)CC2)C1 ZINC001269934925 1184727552 /nfs/dbraw/zinc/72/75/52/1184727552.db2.gz FFZRHEOQCCJJPQ-UHFFFAOYSA-N 2 2 332.492 2.227 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001482335063 1185425624 /nfs/dbraw/zinc/42/56/24/1185425624.db2.gz GQEOEHCKPYMEPE-LBPRGKRZSA-N 2 2 333.436 2.009 10 0 EEAELP CC(C)C[C@H](C[NH2+]CCC1CC1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001271278486 1186118084 /nfs/dbraw/zinc/11/80/84/1186118084.db2.gz NJHMFBUFEGMHNF-IAGOWNOFSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)COCC[N@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001272061162 1187345429 /nfs/dbraw/zinc/34/54/29/1187345429.db2.gz NRNUDSKGDXVVRG-UHFFFAOYSA-N 2 2 332.448 2.011 10 0 EEAELP CC(C)COCC[N@@H+](C)CCN(C)C(=O)c1cccc2[nH+]ccn21 ZINC001272061162 1187345431 /nfs/dbraw/zinc/34/54/31/1187345431.db2.gz NRNUDSKGDXVVRG-UHFFFAOYSA-N 2 2 332.448 2.011 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@H](O)C[NH2+]CCC2CCCC2)c(C)[nH+]1 ZINC001482751760 1187697801 /nfs/dbraw/zinc/69/78/01/1187697801.db2.gz ACEYKQVRTZKWNQ-QGZVFWFLSA-N 2 2 333.476 2.267 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001482844887 1187764048 /nfs/dbraw/zinc/76/40/48/1187764048.db2.gz HVHNXXYFUCDSBX-YFNPVVSBSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001482859416 1187781029 /nfs/dbraw/zinc/78/10/29/1187781029.db2.gz KBDKDFWPOJBKAB-GFCCVEGCSA-N 2 2 335.477 2.031 10 0 EEAELP Cc1nsc(C)c1C[NH2+]CC[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001482859417 1187781188 /nfs/dbraw/zinc/78/11/88/1187781188.db2.gz KBDKDFWPOJBKAB-LBPRGKRZSA-N 2 2 335.477 2.031 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001482934134 1187853838 /nfs/dbraw/zinc/85/38/38/1187853838.db2.gz QCLAHEOBUWAFDX-SFHVURJKSA-N 2 2 340.471 2.126 10 0 EEAELP CCN(CC[NH2+]Cc1cc(F)cc(F)c1)C(=O)CCn1cc[nH+]c1 ZINC001482941247 1187865433 /nfs/dbraw/zinc/86/54/33/1187865433.db2.gz YUCWWPMMYJXWTG-UHFFFAOYSA-N 2 2 336.386 2.190 10 0 EEAELP Cc1ncoc1C[NH2+]C/C=C/CNC(=O)c1sccc1C[NH+](C)C ZINC001483016137 1188003307 /nfs/dbraw/zinc/00/33/07/1188003307.db2.gz PQJHTUWYARSADZ-SNAWJCMRSA-N 2 2 348.472 2.182 10 0 EEAELP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001691621798 1188320887 /nfs/dbraw/zinc/32/08/87/1188320887.db2.gz YYHNJLGCIORSML-KRWDZBQOSA-N 2 2 336.480 2.130 10 0 EEAELP CCOCCC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001691621798 1188320892 /nfs/dbraw/zinc/32/08/92/1188320892.db2.gz YYHNJLGCIORSML-KRWDZBQOSA-N 2 2 336.480 2.130 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+][C@H]1CCc2c1cccc2F ZINC001483079811 1188441151 /nfs/dbraw/zinc/44/11/51/1188441151.db2.gz ZEVMPJKWLGVQQX-AIMAZDRCSA-N 2 2 328.391 2.041 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CC[C@@H]3CCCCO3)ccn12 ZINC001483129285 1188612145 /nfs/dbraw/zinc/61/21/45/1188612145.db2.gz SYMJLCMLGJJMSQ-PBHICJAKSA-N 2 2 344.459 2.310 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1CC[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC001691633405 1189378262 /nfs/dbraw/zinc/37/82/62/1189378262.db2.gz DGRMOTXJSWZPOZ-ZWKOTPCHSA-N 2 2 340.471 2.460 10 0 EEAELP C[C@H](NC(=O)c1cccc2[nH+]ccn21)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001409362799 1189581476 /nfs/dbraw/zinc/58/14/76/1189581476.db2.gz HOVYRCZZXUITHW-RYUDHWBXSA-N 2 2 336.386 2.476 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001485929456 1193649034 /nfs/dbraw/zinc/64/90/34/1193649034.db2.gz XPKRGMYOVHAPME-OLZOCXBDSA-N 2 2 335.477 2.236 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001483237435 1190159367 /nfs/dbraw/zinc/15/93/67/1190159367.db2.gz QDEPONLAIZGYMA-NWANDNLSSA-N 2 2 330.407 2.255 10 0 EEAELP CO[C@@H](C[NH2+]C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCCC1 ZINC001483240595 1190270266 /nfs/dbraw/zinc/27/02/66/1190270266.db2.gz TXOHLKSHJMPLJL-UGSOOPFHSA-N 2 2 344.459 2.476 10 0 EEAELP COCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001483411239 1190456977 /nfs/dbraw/zinc/45/69/77/1190456977.db2.gz BRHBWARJWBIKDJ-AWEZNQCLSA-N 2 2 344.459 2.044 10 0 EEAELP Cc1cccn2cc(CC(=O)N(C)CCC[NH2+]CC[C@@H](C)F)[nH+]c12 ZINC001483498039 1190514520 /nfs/dbraw/zinc/51/45/20/1190514520.db2.gz KYPMUDNRUNJVPH-OAHLLOKOSA-N 2 2 334.439 2.371 10 0 EEAELP O=C(N[C@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001483571583 1190561634 /nfs/dbraw/zinc/56/16/34/1190561634.db2.gz RISREECGBYEQOX-PKOBYXMFSA-N 2 2 342.487 2.430 10 0 EEAELP CCOC1CC(C[N@@H+]2CCCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001409857691 1190703805 /nfs/dbraw/zinc/70/38/05/1190703805.db2.gz WHAKAQFXIXYACL-LXPRWKDFSA-N 2 2 348.491 2.059 10 0 EEAELP CCOC1CC(C[N@H+]2CCCCC[C@@H]2CNC(=O)Cn2cc[nH+]c2)C1 ZINC001409857691 1190703808 /nfs/dbraw/zinc/70/38/08/1190703808.db2.gz WHAKAQFXIXYACL-LXPRWKDFSA-N 2 2 348.491 2.059 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1C ZINC001483664356 1190724213 /nfs/dbraw/zinc/72/42/13/1190724213.db2.gz PVBZPZAFDGDWGY-KRWDZBQOSA-N 2 2 330.407 2.030 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1C ZINC001483664356 1190724216 /nfs/dbraw/zinc/72/42/16/1190724216.db2.gz PVBZPZAFDGDWGY-KRWDZBQOSA-N 2 2 330.407 2.030 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001272474922 1190840671 /nfs/dbraw/zinc/84/06/71/1190840671.db2.gz KRLWLNWKQKWKLA-IRXDYDNUSA-N 2 2 330.476 2.074 10 0 EEAELP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2nc(C)c(C)s2)C1)[NH+](C)C ZINC001409905099 1190992837 /nfs/dbraw/zinc/99/28/37/1190992837.db2.gz CJJCODZPUOBMMB-SWLSCSKDSA-N 2 2 338.521 2.037 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC[C@@H]2CCCC2(F)F)CC1 ZINC001483784097 1191026245 /nfs/dbraw/zinc/02/62/45/1191026245.db2.gz QPLWGPNEKDCBFR-ZDUSSCGKSA-N 2 2 340.418 2.027 10 0 EEAELP CC(C)C[C@@H](C(=O)N(C)C1C[NH+](C[C@@H]2CCCOC2)C1)n1cc[nH+]c1 ZINC001483867787 1191098750 /nfs/dbraw/zinc/09/87/50/1191098750.db2.gz KAYJCZCYUHHUHS-WMZOPIPTSA-N 2 2 348.491 2.040 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001484064776 1191190005 /nfs/dbraw/zinc/19/00/05/1191190005.db2.gz GOZVGGNULCCCOY-GOSISDBHSA-N 2 2 345.447 2.049 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001484064776 1191190008 /nfs/dbraw/zinc/19/00/08/1191190008.db2.gz GOZVGGNULCCCOY-GOSISDBHSA-N 2 2 345.447 2.049 10 0 EEAELP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001484102376 1191211512 /nfs/dbraw/zinc/21/15/12/1191211512.db2.gz XCOOXNJEXHPPCR-VQIMIIECSA-N 2 2 332.492 2.320 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H](C[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC001484573473 1191422694 /nfs/dbraw/zinc/42/26/94/1191422694.db2.gz BSAIZXFNJPIRBE-BRWVUGGUSA-N 2 2 348.491 2.034 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485164749 1191675931 /nfs/dbraw/zinc/67/59/31/1191675931.db2.gz UGDMYLQOGVKJDO-GHMZBOCLSA-N 2 2 327.388 2.156 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)CC[C@@H]1CCCC1(F)F ZINC001485395452 1191772177 /nfs/dbraw/zinc/77/21/77/1191772177.db2.gz MPUQULKMGSUHPK-KGLIPLIRSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC001485395452 1191772179 /nfs/dbraw/zinc/77/21/79/1191772179.db2.gz MPUQULKMGSUHPK-KGLIPLIRSA-N 2 2 328.407 2.145 10 0 EEAELP CC1(C)CO[C@H](C[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCCC2)C1 ZINC001485457469 1191796743 /nfs/dbraw/zinc/79/67/43/1191796743.db2.gz PFKMXMPVLZTKCV-HNNXBMFYSA-N 2 2 348.491 2.176 10 0 EEAELP Cc1ncc(C[N@@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)s1 ZINC001485486425 1191809295 /nfs/dbraw/zinc/80/92/95/1191809295.db2.gz YEMIKYWNGDFVOR-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1ncc(C[N@H+]2CCCCC[C@H]2CNC(=O)Cn2cc[nH+]c2)s1 ZINC001485486425 1191809297 /nfs/dbraw/zinc/80/92/97/1191809297.db2.gz YEMIKYWNGDFVOR-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CC3)C[C@@H]2C1 ZINC001410189078 1197593935 /nfs/dbraw/zinc/59/39/35/1197593935.db2.gz JXHFISGAUPVMTJ-OKZBNKHCSA-N 2 2 344.503 2.370 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CCC3CC3)C[C@@H]2C1 ZINC001410189078 1197593939 /nfs/dbraw/zinc/59/39/39/1197593939.db2.gz JXHFISGAUPVMTJ-OKZBNKHCSA-N 2 2 344.503 2.370 10 0 EEAELP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000863981730 1197946951 /nfs/dbraw/zinc/94/69/51/1197946951.db2.gz MFFVPJOITKHEQP-QGZVFWFLSA-N 2 2 348.834 2.311 10 0 EEAELP C[N@H+]1CCC[C@@](O)(CC(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)C1 ZINC000863981730 1197946961 /nfs/dbraw/zinc/94/69/61/1197946961.db2.gz MFFVPJOITKHEQP-QGZVFWFLSA-N 2 2 348.834 2.311 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1F ZINC001410539457 1198099775 /nfs/dbraw/zinc/09/97/75/1198099775.db2.gz PVRDJTIBWVXCCT-GFCCVEGCSA-N 2 2 338.814 2.312 10 0 EEAELP C[N@H+](CC(F)F)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810451067 1199527569 /nfs/dbraw/zinc/52/75/69/1199527569.db2.gz ZSOHNJWKDSCVKT-QGZVFWFLSA-N 2 2 349.441 2.387 10 0 EEAELP C[N@@H+](CC(F)F)C1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810451067 1199527572 /nfs/dbraw/zinc/52/75/72/1199527572.db2.gz ZSOHNJWKDSCVKT-QGZVFWFLSA-N 2 2 349.441 2.387 10 0 EEAELP C[NH+](CC(F)F)C1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810451067 1199527574 /nfs/dbraw/zinc/52/75/74/1199527574.db2.gz ZSOHNJWKDSCVKT-QGZVFWFLSA-N 2 2 349.441 2.387 10 0 EEAELP C[NH+](CC(F)F)C1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810451067 1199527576 /nfs/dbraw/zinc/52/75/76/1199527576.db2.gz ZSOHNJWKDSCVKT-QGZVFWFLSA-N 2 2 349.441 2.387 10 0 EEAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866411494 1201510560 /nfs/dbraw/zinc/51/05/60/1201510560.db2.gz NOEUBOUMIIQUHK-HOTGVXAUSA-N 2 2 333.476 2.147 10 0 EEAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866411494 1201510564 /nfs/dbraw/zinc/51/05/64/1201510564.db2.gz NOEUBOUMIIQUHK-HOTGVXAUSA-N 2 2 333.476 2.147 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702822 1201584573 /nfs/dbraw/zinc/58/45/73/1201584573.db2.gz HHEYTKVWMLHBHY-LJQANCHMSA-N 2 2 346.475 2.280 10 0 EEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866702822 1201584576 /nfs/dbraw/zinc/58/45/76/1201584576.db2.gz HHEYTKVWMLHBHY-LJQANCHMSA-N 2 2 346.475 2.280 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000868757799 1201872681 /nfs/dbraw/zinc/87/26/81/1201872681.db2.gz DPQWDNUGEWXPMN-DOTOQJQBSA-N 2 2 330.476 2.345 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000868757799 1201872683 /nfs/dbraw/zinc/87/26/83/1201872683.db2.gz DPQWDNUGEWXPMN-DOTOQJQBSA-N 2 2 330.476 2.345 10 0 EEAELP C[NH+]1Cc2ccccc2[C@H]1CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000868757799 1201872687 /nfs/dbraw/zinc/87/26/87/1201872687.db2.gz DPQWDNUGEWXPMN-DOTOQJQBSA-N 2 2 330.476 2.345 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC001274141988 1204401225 /nfs/dbraw/zinc/40/12/25/1204401225.db2.gz KHWMDFLNBWEKIE-ZMUQKWFASA-N 2 2 338.455 2.216 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@@H+]1CCCCCF ZINC001274634269 1205106791 /nfs/dbraw/zinc/10/67/91/1205106791.db2.gz OPWMVHBCJMBBFW-CVEARBPZSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)CCc2[nH+]ccn2C)CC[N@H+]1CCCCCF ZINC001274634269 1205106793 /nfs/dbraw/zinc/10/67/93/1205106793.db2.gz OPWMVHBCJMBBFW-CVEARBPZSA-N 2 2 338.471 2.462 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001275009095 1205232970 /nfs/dbraw/zinc/23/29/70/1205232970.db2.gz ASPTZISJEJLLRS-SJORKVTESA-N 2 2 330.476 2.216 10 0 EEAELP C[NH+](C)CCc1cccc(C(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC001411620176 1205457672 /nfs/dbraw/zinc/45/76/72/1205457672.db2.gz YJAMVMLTLPOMMW-UHFFFAOYSA-N 2 2 340.471 2.296 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl ZINC001275725634 1205500478 /nfs/dbraw/zinc/50/04/78/1205500478.db2.gz MLTUPNAYAGRNOE-SZZPACECSA-N 2 2 326.872 2.415 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl ZINC001275725634 1205500481 /nfs/dbraw/zinc/50/04/81/1205500481.db2.gz MLTUPNAYAGRNOE-SZZPACECSA-N 2 2 326.872 2.415 10 0 EEAELP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccnnc1 ZINC000924795659 1206032910 /nfs/dbraw/zinc/03/29/10/1206032910.db2.gz PDFXFJYHEASIMG-INIZCTEOSA-N 2 2 342.443 2.038 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1cc(Cl)c2c(c1)OCCO2 ZINC000925512835 1206121579 /nfs/dbraw/zinc/12/15/79/1206121579.db2.gz GEYNIJISIYPKEL-DZGCQCFKSA-N 2 2 338.835 2.019 10 0 EEAELP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925521871 1206122529 /nfs/dbraw/zinc/12/25/29/1206122529.db2.gz KQKJCGSLWXMLQK-QRQLOZEOSA-N 2 2 328.504 2.057 10 0 EEAELP CSCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)c1nnc2ccccn21 ZINC000925524305 1206122746 /nfs/dbraw/zinc/12/27/46/1206122746.db2.gz RIIHKLDSVRGGBD-MJBXVCDLSA-N 2 2 331.489 2.383 10 0 EEAELP CN1C(=O)C[C@H]([NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@@H]1c1ccc(Cl)cc1 ZINC000925632626 1206137752 /nfs/dbraw/zinc/13/77/52/1206137752.db2.gz WUNVKUBLMVJXAU-PSABSHMGSA-N 2 2 345.874 2.198 10 0 EEAELP O=S1(=O)CC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2cc(F)ccc21 ZINC000925846532 1206159587 /nfs/dbraw/zinc/15/95/87/1206159587.db2.gz PPAHNQQLYUBOKB-DJIMGWMZSA-N 2 2 338.448 2.166 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N2C[C@H]([NH3+])C(C)(C)C2)c1)[NH+]1CCOCC1 ZINC000926018459 1206182480 /nfs/dbraw/zinc/18/24/80/1206182480.db2.gz LROYUKZROOYVNP-YOEHRIQHSA-N 2 2 346.475 2.281 10 0 EEAELP Cc1ccc(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c(N(C)C)[nH+]1 ZINC000926076283 1206188560 /nfs/dbraw/zinc/18/85/60/1206188560.db2.gz GUJAWTRVKIGBCR-GHMZBOCLSA-N 2 2 345.369 2.199 10 0 EEAELP CC(C)CC[NH+]1CCC([NH2+]CCC2(CS(C)(=O)=O)CC2)CC1 ZINC000926677774 1206236959 /nfs/dbraw/zinc/23/69/59/1206236959.db2.gz XCQGHCUBONVASJ-UHFFFAOYSA-N 2 2 330.538 2.301 10 0 EEAELP C[C@@]12C[NH+](CCN3CCOCC3)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931214248 1206616360 /nfs/dbraw/zinc/61/63/60/1206616360.db2.gz INLIEBLGVMANID-SFTDATJTSA-N 2 2 343.515 2.163 10 0 EEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@H+](C[C@@H]1CCC(=O)N1)C2 ZINC000931226294 1206617620 /nfs/dbraw/zinc/61/76/20/1206617620.db2.gz YJNNITGSUVIKRO-YSIASYRMSA-N 2 2 327.472 2.109 10 0 EEAELP C[C@]12C[NH+](Cc3ccccc3)C[C@@]1(C)C[N@@H+](C[C@@H]1CCC(=O)N1)C2 ZINC000931226294 1206617621 /nfs/dbraw/zinc/61/76/21/1206617621.db2.gz YJNNITGSUVIKRO-YSIASYRMSA-N 2 2 327.472 2.109 10 0 EEAELP C[C@@]12C[NH+](C[C@@H]3CCC(=O)N3)C[C@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000931226294 1206617622 /nfs/dbraw/zinc/61/76/22/1206617622.db2.gz YJNNITGSUVIKRO-YSIASYRMSA-N 2 2 327.472 2.109 10 0 EEAELP C[C@@]12C[NH+](C[C@@H]3CCC(=O)N3)C[C@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000931226294 1206617623 /nfs/dbraw/zinc/61/76/23/1206617623.db2.gz YJNNITGSUVIKRO-YSIASYRMSA-N 2 2 327.472 2.109 10 0 EEAELP Cc1cncc(C[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001276332546 1215754222 /nfs/dbraw/zinc/75/42/22/1215754222.db2.gz HUTKVJAFHUUMJD-UHFFFAOYSA-N 2 2 329.448 2.029 10 0 EEAELP C[C@H](CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC001412951453 1216149744 /nfs/dbraw/zinc/14/97/44/1216149744.db2.gz GKVACLPIMMJDOO-UYAOXDASSA-N 2 2 331.504 2.161 10 0 EEAELP C[C@H](CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC001412951453 1216149745 /nfs/dbraw/zinc/14/97/45/1216149745.db2.gz GKVACLPIMMJDOO-UYAOXDASSA-N 2 2 331.504 2.161 10 0 EEAELP O[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC001413030598 1216921329 /nfs/dbraw/zinc/92/13/29/1216921329.db2.gz XHPLZSQPLFPNSK-HUUCEWRRSA-N 2 2 336.233 2.454 10 0 EEAELP O[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1ccc(Br)cc1 ZINC001413030598 1216921333 /nfs/dbraw/zinc/92/13/33/1216921333.db2.gz XHPLZSQPLFPNSK-HUUCEWRRSA-N 2 2 336.233 2.454 10 0 EEAELP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)CN1CCOCC1 ZINC000902811776 1238596386 /nfs/dbraw/zinc/59/63/86/1238596386.db2.gz GMKFOMQJIYHZOM-IRXDYDNUSA-N 2 2 328.460 2.491 10 0 EEAELP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000903064119 1239648239 /nfs/dbraw/zinc/64/82/39/1239648239.db2.gz MFIHGXGRAISJAD-JVPBZIDWSA-N 2 2 345.487 2.248 10 0 EEAELP COc1ccc2c(c1)C[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000903064119 1239648248 /nfs/dbraw/zinc/64/82/48/1239648248.db2.gz MFIHGXGRAISJAD-JVPBZIDWSA-N 2 2 345.487 2.248 10 0 EEAELP Cc1ccc(F)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1F ZINC000903453905 1240513621 /nfs/dbraw/zinc/51/36/21/1240513621.db2.gz OXSRCOZTUCFDDF-UHFFFAOYSA-N 2 2 347.413 2.348 10 0 EEAELP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)c(C)s1 ZINC001491059968 1258620778 /nfs/dbraw/zinc/62/07/78/1258620778.db2.gz FMLCRUKOLVXPRH-DFBGVHRSSA-N 2 2 347.488 2.345 10 0 EEAELP CCO[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001491233786 1258819719 /nfs/dbraw/zinc/81/97/19/1258819719.db2.gz GISYTFRQACHTLZ-WMZOPIPTSA-N 2 2 348.491 2.046 10 0 EEAELP CCO[C@@H](C[N@H+]1CCCC[C@H]1CNC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001491233786 1258819725 /nfs/dbraw/zinc/81/97/25/1258819725.db2.gz GISYTFRQACHTLZ-WMZOPIPTSA-N 2 2 348.491 2.046 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001491317664 1258947097 /nfs/dbraw/zinc/94/70/97/1258947097.db2.gz DAWYWZICFJVGCI-RXYDEIHYSA-N 2 2 344.503 2.174 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001491317664 1258947104 /nfs/dbraw/zinc/94/71/04/1258947104.db2.gz DAWYWZICFJVGCI-RXYDEIHYSA-N 2 2 344.503 2.174 10 0 EEAELP O=C(NCCC[N@@H+](C/C=C/Cl)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001490377320 1291261407 /nfs/dbraw/zinc/26/14/07/1291261407.db2.gz KMHDQFGJUUVFLD-UWTJGZSJSA-N 2 2 336.867 2.169 10 0 EEAELP O=C(NCCC[N@H+](C/C=C/Cl)C1CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001490377320 1291261413 /nfs/dbraw/zinc/26/14/13/1291261413.db2.gz KMHDQFGJUUVFLD-UWTJGZSJSA-N 2 2 336.867 2.169 10 0 EEAELP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001490761543 1291692193 /nfs/dbraw/zinc/69/21/93/1291692193.db2.gz BZNBBMZRAIFYSN-IAGOWNOFSA-N 2 2 332.492 2.416 10 0 EEAELP CCCC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001490761543 1291692202 /nfs/dbraw/zinc/69/22/02/1291692202.db2.gz BZNBBMZRAIFYSN-IAGOWNOFSA-N 2 2 332.492 2.416 10 0 EEAELP Cn1c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1-c1ccccc1 ZINC000855415355 1293209463 /nfs/dbraw/zinc/20/94/63/1293209463.db2.gz WBLURRNPXYNXLB-UHFFFAOYSA-N 2 2 342.487 2.305 10 0 EEAELP Cn1c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1-c1ccccc1 ZINC000855415355 1293209468 /nfs/dbraw/zinc/20/94/68/1293209468.db2.gz WBLURRNPXYNXLB-UHFFFAOYSA-N 2 2 342.487 2.305 10 0 EEAELP Cn1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c(Cl)n1 ZINC000856768635 1293626738 /nfs/dbraw/zinc/62/67/38/1293626738.db2.gz MOVBYKKNVYHWKU-KRWDZBQOSA-N 2 2 347.894 2.152 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2S(C)(=O)=O)[C@H]2CCC[C@@H]21 ZINC000926906038 1296957959 /nfs/dbraw/zinc/95/79/59/1296957959.db2.gz QKWRPJOJFDOUNB-IKGGRYGDSA-N 2 2 336.501 2.095 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCc2ccccc2S(C)(=O)=O)[C@H]2CCC[C@@H]21 ZINC000926906038 1296957963 /nfs/dbraw/zinc/95/79/63/1296957963.db2.gz QKWRPJOJFDOUNB-IKGGRYGDSA-N 2 2 336.501 2.095 10 0 EEAELP CCO[C@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)C[NH+](C)C ZINC000926965447 1296972731 /nfs/dbraw/zinc/97/27/31/1296972731.db2.gz RKBIBKUBLFROCX-RHSMWYFYSA-N 2 2 335.448 2.261 10 0 EEAELP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)N3CCOc4ccccc43)C[C@]2(C)C1 ZINC000931315085 1297131806 /nfs/dbraw/zinc/13/18/06/1297131806.db2.gz UEOCNESDKVDBCQ-BGYRXZFFSA-N 2 2 343.471 2.076 10 0 EEAELP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)N3CCOc4ccccc43)C[C@]2(C)C1 ZINC000931315085 1297131817 /nfs/dbraw/zinc/13/18/17/1297131817.db2.gz UEOCNESDKVDBCQ-BGYRXZFFSA-N 2 2 343.471 2.076 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)N3CCOc4ccccc43)C[C@]2(C)C1 ZINC000931315085 1297131826 /nfs/dbraw/zinc/13/18/26/1297131826.db2.gz UEOCNESDKVDBCQ-BGYRXZFFSA-N 2 2 343.471 2.076 10 0 EEAELP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)N3CCOc4ccccc43)C[C@]2(C)C1 ZINC000931315085 1297131835 /nfs/dbraw/zinc/13/18/35/1297131835.db2.gz UEOCNESDKVDBCQ-BGYRXZFFSA-N 2 2 343.471 2.076 10 0 EEAELP O=C(NCC1([NH2+]CCC[C@H]2CCOC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001277093922 1301239458 /nfs/dbraw/zinc/23/94/58/1301239458.db2.gz FVJPIOPRCHTADS-AWEZNQCLSA-N 2 2 342.443 2.232 10 0 EEAELP COc1cc(C[NH+]2CC(N(C)C(=O)CCCC[NH+](C)C)C2)ccc1C ZINC001277686534 1304185414 /nfs/dbraw/zinc/18/54/14/1304185414.db2.gz LSULJQANRZXUBC-UHFFFAOYSA-N 2 2 347.503 2.378 10 0 EEAELP CC[NH+](CC)CC[C@@H](CO)Nc1[nH+]cnc2c1cnn2C(C)(C)C ZINC000798215853 1304950106 /nfs/dbraw/zinc/95/01/06/1304950106.db2.gz QNNUMMPGECSWTQ-ZDUSSCGKSA-N 2 2 334.468 2.086 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@@H](C[NH2+]CC[C@H]1CCCCO1)C1CCCC1 ZINC001278274792 1308947139 /nfs/dbraw/zinc/94/71/39/1308947139.db2.gz LJLBVHMCQNUEPF-MSOLQXFVSA-N 2 2 348.491 2.176 10 0 EEAELP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000843062365 1315832338 /nfs/dbraw/zinc/83/23/38/1315832338.db2.gz OPKOSTZYNNDEKV-TZIWHRDSSA-N 2 2 340.467 2.037 10 0 EEAELP Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000843062365 1315832344 /nfs/dbraw/zinc/83/23/44/1315832344.db2.gz OPKOSTZYNNDEKV-TZIWHRDSSA-N 2 2 340.467 2.037 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CC[C@@](C)(C[NH2+]CCC(F)(F)F)C1 ZINC001278576705 1317266629 /nfs/dbraw/zinc/26/66/29/1317266629.db2.gz JHXGGQGXJXLCRF-HNNXBMFYSA-N 2 2 346.397 2.133 10 0 EEAELP C[C@@H]([NH2+]CCCc1ccsc1)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001279046434 1319079906 /nfs/dbraw/zinc/07/99/06/1319079906.db2.gz RBSTXQNDPXYQED-NVXWUHKLSA-N 2 2 346.500 2.404 10 0 EEAELP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001263834095 1322532413 /nfs/dbraw/zinc/53/24/13/1322532413.db2.gz 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YHVJDNHOAPAXHK-WMLDXEAASA-N 2 2 333.480 2.027 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)c1 ZINC001438428098 1090926207 /nfs/dbraw/zinc/92/62/07/1090926207.db2.gz GOYRKIWVGASACJ-LJQANCHMSA-N 2 2 326.444 2.266 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001438553159 1091045237 /nfs/dbraw/zinc/04/52/37/1091045237.db2.gz QPPNKSDKYWHRSL-OLZOCXBDSA-N 2 2 336.386 2.264 10 0 EEAELP C[C@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)CCc1c[nH+]cn1C ZINC001445486703 1091265696 /nfs/dbraw/zinc/26/56/96/1091265696.db2.gz ZRSVEHZDSHNXNW-KDOFPFPSSA-N 2 2 326.444 2.135 10 0 EEAELP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001438901247 1091560070 /nfs/dbraw/zinc/56/00/70/1091560070.db2.gz ZFDIFIADMHJXHQ-INIZCTEOSA-N 2 2 332.492 2.272 10 0 EEAELP CN(CC[N@@H+](C)CC1CC(C)(C)C1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001438901247 1091560073 /nfs/dbraw/zinc/56/00/73/1091560073.db2.gz ZFDIFIADMHJXHQ-INIZCTEOSA-N 2 2 332.492 2.272 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccn(C)n1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001445763375 1091613585 /nfs/dbraw/zinc/61/35/85/1091613585.db2.gz ISVSHJNKQHAECT-MRXNPFEDSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccn(C)n1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001445763375 1091613591 /nfs/dbraw/zinc/61/35/91/1091613591.db2.gz ISVSHJNKQHAECT-MRXNPFEDSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001445763375 1091613596 /nfs/dbraw/zinc/61/35/96/1091613596.db2.gz ISVSHJNKQHAECT-MRXNPFEDSA-N 2 2 349.523 2.011 10 0 EEAELP C[C@H](C[NH+](C)Cc1ccn(C)n1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001445763375 1091613600 /nfs/dbraw/zinc/61/36/00/1091613600.db2.gz ISVSHJNKQHAECT-MRXNPFEDSA-N 2 2 349.523 2.011 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+][C@H]1CCc2ccccc21 ZINC001439130309 1091775704 /nfs/dbraw/zinc/77/57/04/1091775704.db2.gz JKOAAABBLGWOLA-KDOFPFPSSA-N 2 2 339.439 2.415 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C2CC2)o1 ZINC001439498793 1092332303 /nfs/dbraw/zinc/33/23/03/1092332303.db2.gz PZRQAAIMEJQVQC-SJLPKXTDSA-N 2 2 348.491 2.088 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccnc1 ZINC001439529642 1092381977 /nfs/dbraw/zinc/38/19/77/1092381977.db2.gz ZACDENCRCMICRS-RDJZCZTQSA-N 2 2 341.459 2.182 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccnc1 ZINC001439529642 1092381983 /nfs/dbraw/zinc/38/19/83/1092381983.db2.gz ZACDENCRCMICRS-RDJZCZTQSA-N 2 2 341.459 2.182 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001439657858 1092588558 /nfs/dbraw/zinc/58/85/58/1092588558.db2.gz OXGWPXYYOLLGFI-OLZOCXBDSA-N 2 2 340.418 2.262 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC001439657858 1092588573 /nfs/dbraw/zinc/58/85/73/1092588573.db2.gz OXGWPXYYOLLGFI-OLZOCXBDSA-N 2 2 340.418 2.262 10 0 EEAELP C[C@@]1(C[NH2+]CC2CCC2)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001439896664 1092956971 /nfs/dbraw/zinc/95/69/71/1092956971.db2.gz YSJDJIZGXPUDEF-LPHOPBHVSA-N 2 2 330.476 2.074 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)c(C)o1 ZINC001449024189 1094030668 /nfs/dbraw/zinc/03/06/68/1094030668.db2.gz RIZHNSKFGIKTHD-DYVFJYSZSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)c(C)o1 ZINC001449024189 1094030672 /nfs/dbraw/zinc/03/06/72/1094030672.db2.gz RIZHNSKFGIKTHD-DYVFJYSZSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@H]2C)c(C)o1 ZINC001449024189 1094030679 /nfs/dbraw/zinc/03/06/79/1094030679.db2.gz RIZHNSKFGIKTHD-DYVFJYSZSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H]2C)c(C)o1 ZINC001449024189 1094030681 /nfs/dbraw/zinc/03/06/81/1094030681.db2.gz RIZHNSKFGIKTHD-DYVFJYSZSA-N 2 2 348.491 2.245 10 0 EEAELP CCc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cc2c[nH+]cn2C)c1 ZINC001440827076 1094079788 /nfs/dbraw/zinc/07/97/88/1094079788.db2.gz BRJWMDMMEUIXTD-CABCVRRESA-N 2 2 328.460 2.208 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001440836025 1094089541 /nfs/dbraw/zinc/08/95/41/1094089541.db2.gz VYGOEDIQPLMVIJ-ICHOQEBTSA-N 2 2 326.444 2.469 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2c[nH+]cn2C)cc1F ZINC001440843578 1094101141 /nfs/dbraw/zinc/10/11/41/1094101141.db2.gz QEIQLILSAGAEJK-UONOGXRCSA-N 2 2 332.423 2.093 10 0 EEAELP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@H+](C)Cc1ccsc1 ZINC001440935427 1094187153 /nfs/dbraw/zinc/18/71/53/1094187153.db2.gz AEQOJHJAMFFGPO-GFCCVEGCSA-N 2 2 336.461 2.048 10 0 EEAELP C[C@H](CNC(=O)c1cc(C[NH+](C)C)on1)[N@@H+](C)Cc1ccsc1 ZINC001440935427 1094187156 /nfs/dbraw/zinc/18/71/56/1094187156.db2.gz AEQOJHJAMFFGPO-GFCCVEGCSA-N 2 2 336.461 2.048 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)Cc1cc(F)ccc1Cl ZINC001440963611 1094221096 /nfs/dbraw/zinc/22/10/96/1094221096.db2.gz RRXHJULIGDRJMC-GFCCVEGCSA-N 2 2 329.847 2.367 10 0 EEAELP C[C@H](CNC(=O)CC[NH+](C)C)[N@@H+](C)Cc1cc(F)ccc1Cl ZINC001440963611 1094221099 /nfs/dbraw/zinc/22/10/99/1094221099.db2.gz RRXHJULIGDRJMC-GFCCVEGCSA-N 2 2 329.847 2.367 10 0 EEAELP C[C@@H](CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001449395781 1094373622 /nfs/dbraw/zinc/37/36/22/1094373622.db2.gz VQDIDPKAHBNNNI-IGEOTXOUSA-N 2 2 345.422 2.148 10 0 EEAELP Cc1nc(C[NH2+][C@@H](CCN(C)C(=O)Cn2cc[nH+]c2)C(C)C)oc1C ZINC001441103009 1094409493 /nfs/dbraw/zinc/40/94/93/1094409493.db2.gz YJXGFSPJGXRZJF-INIZCTEOSA-N 2 2 347.463 2.151 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC001441216433 1094581878 /nfs/dbraw/zinc/58/18/78/1094581878.db2.gz WHWOLSDHEPJSOE-ZDUSSCGKSA-N 2 2 339.430 2.242 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC001441216433 1094581882 /nfs/dbraw/zinc/58/18/82/1094581882.db2.gz WHWOLSDHEPJSOE-ZDUSSCGKSA-N 2 2 339.430 2.242 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001441575710 1095357936 /nfs/dbraw/zinc/35/79/36/1095357936.db2.gz GPTYGSJNFRIZPO-HNNXBMFYSA-N 2 2 332.473 2.281 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)Cn3cc[nH+]c3)C2)cs1 ZINC001441575710 1095357946 /nfs/dbraw/zinc/35/79/46/1095357946.db2.gz GPTYGSJNFRIZPO-HNNXBMFYSA-N 2 2 332.473 2.281 10 0 EEAELP CC(C)C[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001441716719 1095696246 /nfs/dbraw/zinc/69/62/46/1095696246.db2.gz FLMCMWBVGJFSCI-CFIJBQEISA-N 2 2 344.503 2.252 10 0 EEAELP CC(C)C[C@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001441716719 1095696250 /nfs/dbraw/zinc/69/62/50/1095696250.db2.gz FLMCMWBVGJFSCI-CFIJBQEISA-N 2 2 344.503 2.252 10 0 EEAELP COC[C@H](C)[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001441913298 1096089013 /nfs/dbraw/zinc/08/90/13/1096089013.db2.gz ASGNLYMTCIESMP-XJKSGUPXSA-N 2 2 344.459 2.118 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001442814972 1097201961 /nfs/dbraw/zinc/20/19/61/1097201961.db2.gz CZYLKFYVVGSOHU-DLBZAZTESA-N 2 2 341.459 2.318 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001442814972 1097201964 /nfs/dbraw/zinc/20/19/64/1097201964.db2.gz CZYLKFYVVGSOHU-DLBZAZTESA-N 2 2 341.459 2.318 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H]2CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001442835986 1097227264 /nfs/dbraw/zinc/22/72/64/1097227264.db2.gz ZAYNMVHIVOTSDL-DZGCQCFKSA-N 2 2 347.488 2.380 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H]2CNC(=O)C[C@H](C)n2cc[nH+]c2)s1 ZINC001442835986 1097227270 /nfs/dbraw/zinc/22/72/70/1097227270.db2.gz ZAYNMVHIVOTSDL-DZGCQCFKSA-N 2 2 347.488 2.380 10 0 EEAELP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001443185836 1097627713 /nfs/dbraw/zinc/62/77/13/1097627713.db2.gz UYIJYKWTKRNUES-ZWKOTPCHSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001443185836 1097627715 /nfs/dbraw/zinc/62/77/15/1097627715.db2.gz UYIJYKWTKRNUES-ZWKOTPCHSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001443185836 1097627718 /nfs/dbraw/zinc/62/77/18/1097627718.db2.gz UYIJYKWTKRNUES-ZWKOTPCHSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001443185836 1097627719 /nfs/dbraw/zinc/62/77/19/1097627719.db2.gz UYIJYKWTKRNUES-ZWKOTPCHSA-N 2 2 348.491 2.362 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC(C)(C)C1 ZINC001443961349 1098480461 /nfs/dbraw/zinc/48/04/61/1098480461.db2.gz UOVBSGYXVUIHDA-JKSUJKDBSA-N 2 2 332.492 2.366 10 0 EEAELP CC[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccccc1F ZINC001444006051 1098521303 /nfs/dbraw/zinc/52/13/03/1098521303.db2.gz GLXLXQAKGCEJAO-UKRRQHHQSA-N 2 2 332.423 2.412 10 0 EEAELP Cc1cccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001479494193 1098564838 /nfs/dbraw/zinc/56/48/38/1098564838.db2.gz NFCXWWQIKAGJHQ-ZWKOTPCHSA-N 2 2 326.444 2.266 10 0 EEAELP O=C(N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001444164506 1098714160 /nfs/dbraw/zinc/71/41/60/1098714160.db2.gz GLKMOAVQIMJTDT-FDYHWXHSSA-N 2 2 344.381 2.483 10 0 EEAELP O=C(N[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001444164506 1098714168 /nfs/dbraw/zinc/71/41/68/1098714168.db2.gz GLKMOAVQIMJTDT-FDYHWXHSSA-N 2 2 344.381 2.483 10 0 EEAELP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001444639082 1099466929 /nfs/dbraw/zinc/46/69/29/1099466929.db2.gz OXZOTWVQASGLKJ-NVXWUHKLSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)[NH2+]Cc1ccc(CF)cc1 ZINC001480479744 1100287482 /nfs/dbraw/zinc/28/74/82/1100287482.db2.gz LLGFMRSBFPTJKU-DAXOMENPSA-N 2 2 330.407 2.277 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)[NH2+]Cc1ccc(CF)cc1 ZINC001480479744 1100287484 /nfs/dbraw/zinc/28/74/84/1100287484.db2.gz LLGFMRSBFPTJKU-DAXOMENPSA-N 2 2 330.407 2.277 10 0 EEAELP C[C@H](C[NH2+]CCc1ccc(Cl)cc1)N(C)C(=O)Cc1c[nH+]cn1C ZINC001496206008 1100747226 /nfs/dbraw/zinc/74/72/26/1100747226.db2.gz 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CO[C@@H](C[NH2+][C@H]1CC[C@H](NC(=O)Cc2[nH]c[nH+]c2C)CC1)C1CCC1 ZINC001495476027 1101186608 /nfs/dbraw/zinc/18/66/08/1101186608.db2.gz KMCFNMCJBGLJSF-BQFCYCMXSA-N 2 2 348.491 2.093 10 0 EEAELP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001495713760 1101475161 /nfs/dbraw/zinc/47/51/61/1101475161.db2.gz KWFWBNZKCMKDNF-HNNXBMFYSA-N 2 2 339.443 2.297 10 0 EEAELP CCc1nocc1C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496796716 1101484661 /nfs/dbraw/zinc/48/46/61/1101484661.db2.gz KZSPWSCLGBVQIO-SJLPKXTDSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496796716 1101484674 /nfs/dbraw/zinc/48/46/74/1101484674.db2.gz KZSPWSCLGBVQIO-SJLPKXTDSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001496796716 1101484684 /nfs/dbraw/zinc/48/46/84/1101484684.db2.gz KZSPWSCLGBVQIO-SJLPKXTDSA-N 2 2 348.491 2.144 10 0 EEAELP CCc1nocc1C[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 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ZINC001508231865 1115456182 /nfs/dbraw/zinc/45/61/82/1115456182.db2.gz RYAZMHWAWXWRJG-UHFFFAOYSA-N 2 2 344.484 2.363 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCC1=CC[N@@H+](Cc2ccsc2)CC1 ZINC001508231865 1115456184 /nfs/dbraw/zinc/45/61/84/1115456184.db2.gz RYAZMHWAWXWRJG-UHFFFAOYSA-N 2 2 344.484 2.363 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568198357 1124350662 /nfs/dbraw/zinc/35/06/62/1124350662.db2.gz NDMMXACSECSJBZ-OLZOCXBDSA-N 2 2 349.866 2.179 10 0 EEAELP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568198357 1124350667 /nfs/dbraw/zinc/35/06/67/1124350667.db2.gz NDMMXACSECSJBZ-OLZOCXBDSA-N 2 2 349.866 2.179 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)[C@@H](C)C[NH2+]CCCCC(F)(F)F ZINC001568314577 1124417142 /nfs/dbraw/zinc/41/71/42/1124417142.db2.gz OYUUQNVVDQHPMF-NSHDSACASA-N 2 2 334.386 2.430 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001568649949 1124661400 /nfs/dbraw/zinc/66/14/00/1124661400.db2.gz RGZRZTOXHVNZGR-HMRUYPERSA-N 2 2 345.274 2.249 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+]C/C=C\CNC(=O)Cc1[nH]cc[nH+]1 ZINC001568941524 1124974892 /nfs/dbraw/zinc/97/48/92/1124974892.db2.gz UWLXHWULYZNUNX-PLNGDYQASA-N 2 2 341.459 2.241 10 0 EEAELP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090189101 539375529 /nfs/dbraw/zinc/37/55/29/539375529.db2.gz JDQNZBIOYIQPKM-ZWKOTPCHSA-N 2 2 344.503 2.433 10 0 EEAELP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090189101 539375535 /nfs/dbraw/zinc/37/55/35/539375535.db2.gz JDQNZBIOYIQPKM-ZWKOTPCHSA-N 2 2 344.503 2.433 10 0 EEAELP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)n1cc[nH+]c1 ZINC000068312310 215298173 /nfs/dbraw/zinc/29/81/73/215298173.db2.gz XUEFFFPSKKSQOH-ZDUSSCGKSA-N 2 2 336.386 2.313 10 0 EEAELP COc1cccc(C(=O)N2C[C@@H](C)[NH+](CCC[NH+](C)C)[C@H](C)C2)c1 ZINC000036124853 213071585 /nfs/dbraw/zinc/07/15/85/213071585.db2.gz GOIAEKQKIDFBIU-HZPDHXFCSA-N 2 2 333.476 2.182 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000189856620 237322699 /nfs/dbraw/zinc/32/26/99/237322699.db2.gz VXCJNXHJLJWAEK-UHFFFAOYSA-N 2 2 326.444 2.265 10 0 EEAELP c1ccc(C[NH+]2CCC([NH2+][C@H](C3CC3)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422732107 240198576 /nfs/dbraw/zinc/19/85/76/240198576.db2.gz OWAFCWXLYQXFPL-VQTJNVASSA-N 3 2 329.488 2.008 10 0 EEAELP CCOc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1OCC ZINC000422761437 240212735 /nfs/dbraw/zinc/21/27/35/240212735.db2.gz MNUZCMSXQJRLLR-UXHICEINSA-N 2 2 348.487 2.383 10 0 EEAELP FC(F)COc1cccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)c1 ZINC000422941028 240300908 /nfs/dbraw/zinc/30/09/08/240300908.db2.gz HMBMVDPAAKUKPJ-DOTOQJQBSA-N 2 2 326.387 2.187 10 0 EEAELP Fc1cc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1Br ZINC000422955583 240305866 /nfs/dbraw/zinc/30/58/66/240305866.db2.gz JPWJMYWPCOWTGB-LSDHHAIUSA-N 2 2 343.240 2.445 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995877 240320709 /nfs/dbraw/zinc/32/07/09/240320709.db2.gz ZRLRZBJEAYNHTL-IVMMDQJWSA-N 2 2 330.394 2.444 10 0 EEAELP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(S(C)(=O)=O)cc1 ZINC000423189051 240399823 /nfs/dbraw/zinc/39/98/23/240399823.db2.gz OSIZXTKBLRYPHQ-OAHLLOKOSA-N 2 2 347.484 2.316 10 0 EEAELP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000438284962 242000677 /nfs/dbraw/zinc/00/06/77/242000677.db2.gz QWBLTZVWDKWYCP-CQSZACIVSA-N 2 2 334.489 2.211 10 0 EEAELP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000438284962 242000687 /nfs/dbraw/zinc/00/06/87/242000687.db2.gz QWBLTZVWDKWYCP-CQSZACIVSA-N 2 2 334.489 2.211 10 0 EEAELP CC(C)[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000438503851 242026030 /nfs/dbraw/zinc/02/60/30/242026030.db2.gz GTEBHQYQXPJREJ-GOSISDBHSA-N 2 2 345.487 2.435 10 0 EEAELP CC(C)[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000438503851 242026033 /nfs/dbraw/zinc/02/60/33/242026033.db2.gz GTEBHQYQXPJREJ-GOSISDBHSA-N 2 2 345.487 2.435 10 0 EEAELP Cc1nccnc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000446831442 242224435 /nfs/dbraw/zinc/22/44/35/242224435.db2.gz FCBBSVAETXQWSM-LPHOPBHVSA-N 2 2 326.444 2.073 10 0 EEAELP Cc1cccc(C[NH+]2CCN(C(=O)[C@@H]3CCCn4cc[nH+]c43)CC2)c1 ZINC000080493310 217309243 /nfs/dbraw/zinc/30/92/43/217309243.db2.gz NXBHEUZZBLFHTJ-GOSISDBHSA-N 2 2 338.455 2.413 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416244635 533074742 /nfs/dbraw/zinc/07/47/42/533074742.db2.gz WBYLKOVYFTXRQH-UHFFFAOYSA-N 2 2 325.412 2.155 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416244635 533074748 /nfs/dbraw/zinc/07/47/48/533074748.db2.gz WBYLKOVYFTXRQH-UHFFFAOYSA-N 2 2 325.412 2.155 10 0 EEAELP CCc1cccc(F)c1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000354126182 153122833 /nfs/dbraw/zinc/12/28/33/153122833.db2.gz VMVLMVHAHCUAIF-GOSISDBHSA-N 2 2 335.467 2.420 10 0 EEAELP CC(C)n1cnc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000374218752 154008745 /nfs/dbraw/zinc/00/87/45/154008745.db2.gz PEWXVGFGTYLMAA-UHFFFAOYSA-N 2 2 347.507 2.144 10 0 EEAELP COCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344098435 292359630 /nfs/dbraw/zinc/35/96/30/292359630.db2.gz HKUXHGOEDJEUAK-MSOLQXFVSA-N 2 2 339.524 2.116 10 0 EEAELP COCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000344098435 292359631 /nfs/dbraw/zinc/35/96/31/292359631.db2.gz HKUXHGOEDJEUAK-MSOLQXFVSA-N 2 2 339.524 2.116 10 0 EEAELP Cc1ccc2[nH+]cc(CN3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)n2c1 ZINC000093148408 159230355 /nfs/dbraw/zinc/23/03/55/159230355.db2.gz YNYDZICBVKFTMR-SFHVURJKSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1ccc2[nH+]cc(CN3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)n2c1 ZINC000093148408 159230359 /nfs/dbraw/zinc/23/03/59/159230359.db2.gz YNYDZICBVKFTMR-SFHVURJKSA-N 2 2 341.503 2.245 10 0 EEAELP Cc1cn2c(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)c(C)nc2s1 ZINC000093665152 159238454 /nfs/dbraw/zinc/23/84/54/159238454.db2.gz JBYRRKVZJQDFEP-OAHLLOKOSA-N 2 2 334.489 2.167 10 0 EEAELP Cc1cn2c(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)c(C)nc2s1 ZINC000093665152 159238456 /nfs/dbraw/zinc/23/84/56/159238456.db2.gz JBYRRKVZJQDFEP-OAHLLOKOSA-N 2 2 334.489 2.167 10 0 EEAELP CC[N@H+](CCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CC1 ZINC000101978662 159258786 /nfs/dbraw/zinc/25/87/86/159258786.db2.gz WOYVVFYMPNIUIO-UHFFFAOYSA-N 2 2 335.839 2.271 10 0 EEAELP CC[N@@H+](CCNC(=O)NCc1cn2cc(Cl)ccc2[nH+]1)C1CC1 ZINC000101978662 159258789 /nfs/dbraw/zinc/25/87/89/159258789.db2.gz WOYVVFYMPNIUIO-UHFFFAOYSA-N 2 2 335.839 2.271 10 0 EEAELP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000106123075 159313158 /nfs/dbraw/zinc/31/31/58/159313158.db2.gz UFIWTLRPIPCRTN-FQEVSTJZSA-N 2 2 331.504 2.222 10 0 EEAELP Cc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000106123075 159313159 /nfs/dbraw/zinc/31/31/59/159313159.db2.gz UFIWTLRPIPCRTN-FQEVSTJZSA-N 2 2 331.504 2.222 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185468529 160038981 /nfs/dbraw/zinc/03/89/81/160038981.db2.gz BDUVOVZMUSPKNJ-UHFFFAOYSA-N 2 2 333.480 2.069 10 0 EEAELP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186436072 160070884 /nfs/dbraw/zinc/07/08/84/160070884.db2.gz KLYDRNVGHQJSAR-MRXNPFEDSA-N 2 2 333.480 2.034 10 0 EEAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186436072 160070886 /nfs/dbraw/zinc/07/08/86/160070886.db2.gz KLYDRNVGHQJSAR-MRXNPFEDSA-N 2 2 333.480 2.034 10 0 EEAELP CC(C)c1noc([C@@H](C)[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000245420224 160233674 /nfs/dbraw/zinc/23/36/74/160233674.db2.gz HIJDKFMHLQQMBH-HZPDHXFCSA-N 2 2 335.496 2.356 10 0 EEAELP CC(C)c1noc([C@@H](C)[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)n1 ZINC000245420224 160233676 /nfs/dbraw/zinc/23/36/76/160233676.db2.gz HIJDKFMHLQQMBH-HZPDHXFCSA-N 2 2 335.496 2.356 10 0 EEAELP CC(C)c1nnc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000245576431 160243518 /nfs/dbraw/zinc/24/35/18/160243518.db2.gz HVWNNJVXCZERAE-CHWSQXEVSA-N 2 2 348.476 2.380 10 0 EEAELP CC(C)c1nnc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)s1 ZINC000245576431 160243519 /nfs/dbraw/zinc/24/35/19/160243519.db2.gz HVWNNJVXCZERAE-CHWSQXEVSA-N 2 2 348.476 2.380 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000246799271 160295612 /nfs/dbraw/zinc/29/56/12/160295612.db2.gz CZARXERDUWACHU-NVXWUHKLSA-N 2 2 345.491 2.078 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000246799271 160295614 /nfs/dbraw/zinc/29/56/14/160295614.db2.gz CZARXERDUWACHU-NVXWUHKLSA-N 2 2 345.491 2.078 10 0 EEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000248214907 160340480 /nfs/dbraw/zinc/34/04/80/160340480.db2.gz ZLEFRGTZXHLTRJ-FUHWJXTLSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000248214907 160340482 /nfs/dbraw/zinc/34/04/82/160340482.db2.gz ZLEFRGTZXHLTRJ-FUHWJXTLSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248214907 160340484 /nfs/dbraw/zinc/34/04/84/160340484.db2.gz ZLEFRGTZXHLTRJ-FUHWJXTLSA-N 2 2 333.451 2.166 10 0 EEAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248214907 160340486 /nfs/dbraw/zinc/34/04/86/160340486.db2.gz ZLEFRGTZXHLTRJ-FUHWJXTLSA-N 2 2 333.451 2.166 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000248390788 160343337 /nfs/dbraw/zinc/34/33/37/160343337.db2.gz CIXUAZATOLZDKX-IPMKNSEASA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000248390788 160343338 /nfs/dbraw/zinc/34/33/38/160343338.db2.gz CIXUAZATOLZDKX-IPMKNSEASA-N 2 2 345.487 2.049 10 0 EEAELP CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346137708 161360534 /nfs/dbraw/zinc/36/05/34/161360534.db2.gz INTAGXKMRYPPJI-KRWDZBQOSA-N 2 2 328.416 2.493 10 0 EEAELP CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346137708 161360535 /nfs/dbraw/zinc/36/05/35/161360535.db2.gz INTAGXKMRYPPJI-KRWDZBQOSA-N 2 2 328.416 2.493 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C2 ZINC000364634192 165215283 /nfs/dbraw/zinc/21/52/83/165215283.db2.gz ZOXHTBPPELYTFV-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)C2 ZINC000364634192 165215287 /nfs/dbraw/zinc/21/52/87/165215287.db2.gz ZOXHTBPPELYTFV-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000364634192 165215291 /nfs/dbraw/zinc/21/52/91/165215291.db2.gz ZOXHTBPPELYTFV-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)CC2 ZINC000364634192 165215295 /nfs/dbraw/zinc/21/52/95/165215295.db2.gz ZOXHTBPPELYTFV-GJZGRUSLSA-N 2 2 332.492 2.486 10 0 EEAELP COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000123953126 222356581 /nfs/dbraw/zinc/35/65/81/222356581.db2.gz FNQXZSDBVYUBRA-UONOGXRCSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(OC)c1 ZINC000123953126 222356588 /nfs/dbraw/zinc/35/65/88/222356588.db2.gz FNQXZSDBVYUBRA-UONOGXRCSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000123953126 222356592 /nfs/dbraw/zinc/35/65/92/222356592.db2.gz FNQXZSDBVYUBRA-UONOGXRCSA-N 2 2 335.448 2.057 10 0 EEAELP COc1ccc(NC(=O)C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OC)c1 ZINC000123953126 222356593 /nfs/dbraw/zinc/35/65/93/222356593.db2.gz FNQXZSDBVYUBRA-UONOGXRCSA-N 2 2 335.448 2.057 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124023357 222365947 /nfs/dbraw/zinc/36/59/47/222365947.db2.gz KUXUJCBOJVBWEY-MSOLQXFVSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124023357 222365949 /nfs/dbraw/zinc/36/59/49/222365949.db2.gz KUXUJCBOJVBWEY-MSOLQXFVSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124023357 222365951 /nfs/dbraw/zinc/36/59/51/222365951.db2.gz KUXUJCBOJVBWEY-MSOLQXFVSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1cccc(C)c1OCCNC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000124023357 222365952 /nfs/dbraw/zinc/36/59/52/222365952.db2.gz KUXUJCBOJVBWEY-MSOLQXFVSA-N 2 2 347.503 2.213 10 0 EEAELP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000280826559 269392462 /nfs/dbraw/zinc/39/24/62/269392462.db2.gz JGMWNEYBMBOFLG-UXHICEINSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000280826559 269392464 /nfs/dbraw/zinc/39/24/64/269392464.db2.gz JGMWNEYBMBOFLG-UXHICEINSA-N 2 2 325.456 2.363 10 0 EEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000195515775 274384202 /nfs/dbraw/zinc/38/42/02/274384202.db2.gz VTSWLXXTJXPKBQ-BRWVUGGUSA-N 2 2 330.476 2.320 10 0 EEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)C1 ZINC000195515775 274384203 /nfs/dbraw/zinc/38/42/03/274384203.db2.gz VTSWLXXTJXPKBQ-BRWVUGGUSA-N 2 2 330.476 2.320 10 0 EEAELP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000375898704 275058884 /nfs/dbraw/zinc/05/88/84/275058884.db2.gz WKJGIAHYUUPMPS-FUHWJXTLSA-N 2 2 326.444 2.144 10 0 EEAELP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3[nH]ncc32)C1 ZINC000375898704 275058885 /nfs/dbraw/zinc/05/88/85/275058885.db2.gz WKJGIAHYUUPMPS-FUHWJXTLSA-N 2 2 326.444 2.144 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000361326342 277221432 /nfs/dbraw/zinc/22/14/32/277221432.db2.gz XVTJMJJVIXTBBK-OAHLLOKOSA-N 2 2 337.430 2.104 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000361326342 277221433 /nfs/dbraw/zinc/22/14/33/277221433.db2.gz XVTJMJJVIXTBBK-OAHLLOKOSA-N 2 2 337.430 2.104 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc[nH+]1 ZINC000333887861 312210160 /nfs/dbraw/zinc/21/01/60/312210160.db2.gz GHAHFWQDOJOVOY-DRMAHVMPSA-N 2 2 345.491 2.280 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH+]cn1 ZINC000333887861 312210162 /nfs/dbraw/zinc/21/01/62/312210162.db2.gz GHAHFWQDOJOVOY-DRMAHVMPSA-N 2 2 345.491 2.280 10 0 EEAELP CC1CCN(c2ccc(CNC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)c[nH+]2)CC1 ZINC000333913745 312213194 /nfs/dbraw/zinc/21/31/94/312213194.db2.gz MGLNAFGPPKEPNX-DOTOQJQBSA-N 2 2 345.491 2.115 10 0 EEAELP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414831173 313098901 /nfs/dbraw/zinc/09/89/01/313098901.db2.gz MTWRSHPQHZSJMU-LPHOPBHVSA-N 2 2 325.456 2.414 10 0 EEAELP CC[N@H+](CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000416868445 313341608 /nfs/dbraw/zinc/34/16/08/313341608.db2.gz FPVAEKZFLOSINC-WMZOPIPTSA-N 2 2 330.476 2.296 10 0 EEAELP CC[N@@H+](CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000416868445 313341614 /nfs/dbraw/zinc/34/16/14/313341614.db2.gz FPVAEKZFLOSINC-WMZOPIPTSA-N 2 2 330.476 2.296 10 0 EEAELP [NH3+][C@H](CNC(=O)NCc1ccc(N2CCCC2)[nH+]c1)c1ccccc1 ZINC000416973881 313379011 /nfs/dbraw/zinc/37/90/11/313379011.db2.gz JYFFQKKTMAJUJR-QGZVFWFLSA-N 2 2 339.443 2.181 10 0 EEAELP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000417065186 313411103 /nfs/dbraw/zinc/41/11/03/313411103.db2.gz BIOYLFQXTNOTQF-MRXNPFEDSA-N 2 2 333.480 2.065 10 0 EEAELP CC[NH2+]CCNC(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1 ZINC000418326554 313783457 /nfs/dbraw/zinc/78/34/57/313783457.db2.gz OGZVCEKWXCBDKX-CQSZACIVSA-N 2 2 338.883 2.338 10 0 EEAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000521025766 316889912 /nfs/dbraw/zinc/88/99/12/316889912.db2.gz LQQQPSGVSIRFOJ-XUVXKRRUSA-N 2 2 340.471 2.178 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)cn1 ZINC000527542393 317209027 /nfs/dbraw/zinc/20/90/27/317209027.db2.gz CLNCXPWJWWZOOM-BXUZGUMPSA-N 2 2 340.387 2.017 10 0 EEAELP Cc1[nH+]ccn1-c1ccc(-c2noc([C@H]3C[N@H+](C)C[C@@H](C)O3)n2)cn1 ZINC000527542393 317209028 /nfs/dbraw/zinc/20/90/28/317209028.db2.gz CLNCXPWJWWZOOM-BXUZGUMPSA-N 2 2 340.387 2.017 10 0 EEAELP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(F)cc1OC ZINC000527713500 317249593 /nfs/dbraw/zinc/24/95/93/317249593.db2.gz MAQYWIFUEGGSAU-OAHLLOKOSA-N 2 2 340.439 2.169 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000528436448 317386289 /nfs/dbraw/zinc/38/62/89/317386289.db2.gz ITTQGPYQLBRJCR-UHFFFAOYSA-N 2 2 326.444 2.315 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000528436448 317386294 /nfs/dbraw/zinc/38/62/94/317386294.db2.gz ITTQGPYQLBRJCR-UHFFFAOYSA-N 2 2 326.444 2.315 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C1=O ZINC000542157504 318122782 /nfs/dbraw/zinc/12/27/82/318122782.db2.gz AZTOOUOFIXZCAT-SJORKVTESA-N 2 2 342.418 2.327 10 0 EEAELP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000563394181 319005911 /nfs/dbraw/zinc/00/59/11/319005911.db2.gz MHDWDBYVMCBKDV-GOSISDBHSA-N 2 2 329.488 2.355 10 0 EEAELP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C[NH+]1CC(C)(C)C1)C1CC1 ZINC000563394181 319005912 /nfs/dbraw/zinc/00/59/12/319005912.db2.gz MHDWDBYVMCBKDV-GOSISDBHSA-N 2 2 329.488 2.355 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000565539568 319192140 /nfs/dbraw/zinc/19/21/40/319192140.db2.gz BTZMBNMGJWDZME-HXUWFJFHSA-N 2 2 345.487 2.167 10 0 EEAELP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000565539568 319192141 /nfs/dbraw/zinc/19/21/41/319192141.db2.gz BTZMBNMGJWDZME-HXUWFJFHSA-N 2 2 345.487 2.167 10 0 EEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000566407911 319282366 /nfs/dbraw/zinc/28/23/66/319282366.db2.gz RGIRGALAKPXDRA-MRXNPFEDSA-N 2 2 338.455 2.102 10 0 EEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000568974691 319534632 /nfs/dbraw/zinc/53/46/32/319534632.db2.gz MGOGVZOXLUPJQG-IYBDPMFKSA-N 2 2 339.443 2.013 10 0 EEAELP C[NH+](C)C1CC([NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000570941023 319712259 /nfs/dbraw/zinc/71/22/59/319712259.db2.gz BXQDVOIHAQSRKO-UHFFFAOYSA-N 3 2 336.911 2.274 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)COCc1ccccc1Cl ZINC000574806124 320058960 /nfs/dbraw/zinc/05/89/60/320058960.db2.gz VTKDPPPCFWETQP-KBPBESRZSA-N 2 2 335.835 2.088 10 0 EEAELP O[C@@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)COCc1ccccc1Cl ZINC000574806124 320058964 /nfs/dbraw/zinc/05/89/64/320058964.db2.gz VTKDPPPCFWETQP-KBPBESRZSA-N 2 2 335.835 2.088 10 0 EEAELP C[NH+]1CCC(CNc2ncnc3c2CCC3)([NH+]2CCCCC2)CC1 ZINC000608091470 449748698 /nfs/dbraw/zinc/74/86/98/449748698.db2.gz OBVBBTMBASYJPV-UHFFFAOYSA-N 2 2 329.492 2.328 10 0 EEAELP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)nn1C ZINC000337389389 465341911 /nfs/dbraw/zinc/34/19/11/465341911.db2.gz JTGVEZUVBFCMDM-MRXNPFEDSA-N 2 2 328.460 2.412 10 0 EEAELP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000521025761 468283823 /nfs/dbraw/zinc/28/38/23/468283823.db2.gz LQQQPSGVSIRFOJ-HSALFYBXSA-N 2 2 340.471 2.178 10 0 EEAELP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000152609007 462555991 /nfs/dbraw/zinc/55/59/91/462555991.db2.gz SCOFKUYRIDKIEP-SFHVURJKSA-N 2 2 329.488 2.093 10 0 EEAELP c1ccc2c(c1)CCCN2CC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000152609007 462555996 /nfs/dbraw/zinc/55/59/96/462555996.db2.gz SCOFKUYRIDKIEP-SFHVURJKSA-N 2 2 329.488 2.093 10 0 EEAELP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@]2(CC=CCC2)C1)[NH+]1CCOCC1 ZINC000114493966 462655772 /nfs/dbraw/zinc/65/57/72/462655772.db2.gz YUMXNILWFLARCJ-FQEVSTJZSA-N 2 2 349.519 2.036 10 0 EEAELP CC(C)(CNC(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1)[NH+]1CCOCC1 ZINC000114493966 462655777 /nfs/dbraw/zinc/65/57/77/462655777.db2.gz YUMXNILWFLARCJ-FQEVSTJZSA-N 2 2 349.519 2.036 10 0 EEAELP CC[NH+]1CCN(Cc2ccc(CNc3nc(C)[nH+]cc3C)cc2)CC1 ZINC000579127954 468315517 /nfs/dbraw/zinc/31/55/17/468315517.db2.gz KYOLLPHCCISPMH-UHFFFAOYSA-N 2 2 339.487 2.843 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000129776684 462724403 /nfs/dbraw/zinc/72/44/03/462724403.db2.gz GOXJSQVBUZMGAZ-ZBFHGGJFSA-N 2 2 336.798 2.237 10 0 EEAELP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000115792601 462728024 /nfs/dbraw/zinc/72/80/24/462728024.db2.gz DHUJPIJCDMYTOX-ZDUSSCGKSA-N 2 2 349.866 2.471 10 0 EEAELP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000115792601 462728029 /nfs/dbraw/zinc/72/80/29/462728029.db2.gz DHUJPIJCDMYTOX-ZDUSSCGKSA-N 2 2 349.866 2.471 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000075961943 462778553 /nfs/dbraw/zinc/77/85/53/462778553.db2.gz LDVGTXUCQLBKIC-GFCCVEGCSA-N 2 2 347.385 2.119 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000075961943 462778557 /nfs/dbraw/zinc/77/85/57/462778557.db2.gz LDVGTXUCQLBKIC-GFCCVEGCSA-N 2 2 347.385 2.119 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)o1 ZINC000121045934 463069203 /nfs/dbraw/zinc/06/92/03/463069203.db2.gz VYDWPMVPPSMZIN-LJQANCHMSA-N 2 2 335.492 2.069 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000052500635 463083232 /nfs/dbraw/zinc/08/32/32/463083232.db2.gz YIRPIPXLMJVRHK-OAHLLOKOSA-N 2 2 329.448 2.128 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000052500635 463083238 /nfs/dbraw/zinc/08/32/38/463083238.db2.gz YIRPIPXLMJVRHK-OAHLLOKOSA-N 2 2 329.448 2.128 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000137786007 463300615 /nfs/dbraw/zinc/30/06/15/463300615.db2.gz SOBBQIWCBXJBSX-UHFFFAOYSA-N 2 2 333.480 2.067 10 0 EEAELP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000080609098 463337109 /nfs/dbraw/zinc/33/71/09/463337109.db2.gz QLLNTFIFQNQDEW-SFHVURJKSA-N 2 2 331.435 2.097 10 0 EEAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+](C2CC2)CC1 ZINC000080609098 463337114 /nfs/dbraw/zinc/33/71/14/463337114.db2.gz QLLNTFIFQNQDEW-SFHVURJKSA-N 2 2 331.435 2.097 10 0 EEAELP CC[C@H](O)C[NH+]1CCN(Cc2c[nH+]c(C)n2-c2ccccc2)CC1 ZINC000123546674 463350466 /nfs/dbraw/zinc/35/04/66/463350466.db2.gz DMTJXGMSLVFYKH-IBGZPJMESA-N 2 2 328.460 2.069 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000069921163 463351899 /nfs/dbraw/zinc/35/18/99/463351899.db2.gz FRBGWSZJUSUDAP-MRXNPFEDSA-N 2 2 337.427 2.499 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCC([N@H+]4CCO[C@H](C)C4)CC3)cn2c1 ZINC000124116444 463392282 /nfs/dbraw/zinc/39/22/82/463392282.db2.gz RLBXQTDJPLACAZ-MRXNPFEDSA-N 2 2 328.460 2.328 10 0 EEAELP Cc1ccc2[nH+]c(CN3CCC([N@@H+]4CCO[C@H](C)C4)CC3)cn2c1 ZINC000124116444 463392284 /nfs/dbraw/zinc/39/22/84/463392284.db2.gz RLBXQTDJPLACAZ-MRXNPFEDSA-N 2 2 328.460 2.328 10 0 EEAELP O=C(CCn1c[nH+]c2cc(F)c(F)cc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000071839781 463437121 /nfs/dbraw/zinc/43/71/21/463437121.db2.gz ZTHCFNICACHMSZ-ZDUSSCGKSA-N 2 2 348.397 2.401 10 0 EEAELP O=C(CCn1c[nH+]c2cc(F)c(F)cc21)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000071839781 463437126 /nfs/dbraw/zinc/43/71/26/463437126.db2.gz ZTHCFNICACHMSZ-ZDUSSCGKSA-N 2 2 348.397 2.401 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000105896845 463492474 /nfs/dbraw/zinc/49/24/74/463492474.db2.gz VWRUHSHVQHLJRW-MRXNPFEDSA-N 2 2 337.431 2.258 10 0 EEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnnn2-c2ccccc2)C1 ZINC000105896845 463492478 /nfs/dbraw/zinc/49/24/78/463492478.db2.gz VWRUHSHVQHLJRW-MRXNPFEDSA-N 2 2 337.431 2.258 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000105922656 463497831 /nfs/dbraw/zinc/49/78/31/463497831.db2.gz IYRVRJZLKZXYSJ-HNNXBMFYSA-N 2 2 330.432 2.334 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000105922656 463497840 /nfs/dbraw/zinc/49/78/40/463497840.db2.gz IYRVRJZLKZXYSJ-HNNXBMFYSA-N 2 2 330.432 2.334 10 0 EEAELP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC000073952078 463673428 /nfs/dbraw/zinc/67/34/28/463673428.db2.gz NEOOHPVRDQEXCN-UHFFFAOYSA-N 2 2 338.411 2.425 10 0 EEAELP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)Cn1cc[nH+]c1 ZINC000073952078 463673431 /nfs/dbraw/zinc/67/34/31/463673431.db2.gz NEOOHPVRDQEXCN-UHFFFAOYSA-N 2 2 338.411 2.425 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000193685375 463728893 /nfs/dbraw/zinc/72/88/93/463728893.db2.gz AOANKLKHOKRTPX-HNNXBMFYSA-N 2 2 346.500 2.476 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C1 ZINC000193685375 463728899 /nfs/dbraw/zinc/72/88/99/463728899.db2.gz AOANKLKHOKRTPX-HNNXBMFYSA-N 2 2 346.500 2.476 10 0 EEAELP [NH3+]CC[N@H+](CCC(=O)N1CCc2ccccc21)CCc1ccccc1 ZINC000261794970 463862564 /nfs/dbraw/zinc/86/25/64/463862564.db2.gz QUOAZLJIIGICNS-UHFFFAOYSA-N 2 2 337.467 2.469 10 0 EEAELP [NH3+]CC[N@@H+](CCC(=O)N1CCc2ccccc21)CCc1ccccc1 ZINC000261794970 463862566 /nfs/dbraw/zinc/86/25/66/463862566.db2.gz QUOAZLJIIGICNS-UHFFFAOYSA-N 2 2 337.467 2.469 10 0 EEAELP O=C(NC1CCN(c2cccc[nH+]2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261906551 463895513 /nfs/dbraw/zinc/89/55/13/463895513.db2.gz PMPRFFOXGYRQMY-UAGQMJEPSA-N 2 2 328.460 2.087 10 0 EEAELP Cc1nc(N2CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000287767131 463992990 /nfs/dbraw/zinc/99/29/90/463992990.db2.gz MORCIMYTIVHINP-KRWDZBQOSA-N 2 2 346.862 2.164 10 0 EEAELP CC(C)[C@H](C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000179145408 464067731 /nfs/dbraw/zinc/06/77/31/464067731.db2.gz FFZSETOVYLHXIX-HRBLRVMOSA-N 2 2 336.524 2.231 10 0 EEAELP CC(C)[C@H](C)CNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179145408 464067736 /nfs/dbraw/zinc/06/77/36/464067736.db2.gz FFZSETOVYLHXIX-HRBLRVMOSA-N 2 2 336.524 2.231 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@@H]1c1ccccc1 ZINC000180131020 464249275 /nfs/dbraw/zinc/24/92/75/464249275.db2.gz LMJJLZUBONAHSL-HKUYNNGSSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@@H]1c1ccccc1 ZINC000180131020 464249280 /nfs/dbraw/zinc/24/92/80/464249280.db2.gz LMJJLZUBONAHSL-HKUYNNGSSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+](Cc1cnnn1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000292807087 464349245 /nfs/dbraw/zinc/34/92/45/464349245.db2.gz OGLWSXNZYOQKSX-JWTNVVGKSA-N 2 2 325.460 2.383 10 0 EEAELP C[N@@H+](Cc1cnnn1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000292807087 464349251 /nfs/dbraw/zinc/34/92/51/464349251.db2.gz OGLWSXNZYOQKSX-JWTNVVGKSA-N 2 2 325.460 2.383 10 0 EEAELP C[NH+](Cc1cnnn1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000292807087 464349257 /nfs/dbraw/zinc/34/92/57/464349257.db2.gz OGLWSXNZYOQKSX-JWTNVVGKSA-N 2 2 325.460 2.383 10 0 EEAELP C[NH+](Cc1cnnn1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000292807087 464349259 /nfs/dbraw/zinc/34/92/59/464349259.db2.gz OGLWSXNZYOQKSX-JWTNVVGKSA-N 2 2 325.460 2.383 10 0 EEAELP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)c1[nH+]cnc2[nH]ccc21 ZINC000285036083 464434632 /nfs/dbraw/zinc/43/46/32/464434632.db2.gz VYHZIXJJFJDXNR-XJKSGUPXSA-N 2 2 339.447 2.211 10 0 EEAELP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174885800 464462774 /nfs/dbraw/zinc/46/27/74/464462774.db2.gz ZVMHIBAGIVIGLW-ZBFHGGJFSA-N 2 2 333.480 2.110 10 0 EEAELP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174885800 464462776 /nfs/dbraw/zinc/46/27/76/464462776.db2.gz ZVMHIBAGIVIGLW-ZBFHGGJFSA-N 2 2 333.480 2.110 10 0 EEAELP COc1c(C)c[nH+]c(CN2CCN(C3=[NH+]C[C@H](C)S3)CC2)c1C ZINC000175793484 464627325 /nfs/dbraw/zinc/62/73/25/464627325.db2.gz RLSJXDXRKPVZPW-ZDUSSCGKSA-N 2 2 334.489 2.316 10 0 EEAELP CCOC(=O)c1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)[nH]c1C ZINC000294937762 464654838 /nfs/dbraw/zinc/65/48/38/464654838.db2.gz CLGGLAJOOFYGNB-UHFFFAOYSA-N 2 2 326.400 2.480 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)o1 ZINC000190485393 464656273 /nfs/dbraw/zinc/65/62/73/464656273.db2.gz RVUZUTRFSVHCMN-MRXNPFEDSA-N 2 2 343.427 2.415 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)o1 ZINC000190485393 464656277 /nfs/dbraw/zinc/65/62/77/464656277.db2.gz RVUZUTRFSVHCMN-MRXNPFEDSA-N 2 2 343.427 2.415 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)o1 ZINC000190485393 464656281 /nfs/dbraw/zinc/65/62/81/464656281.db2.gz RVUZUTRFSVHCMN-MRXNPFEDSA-N 2 2 343.427 2.415 10 0 EEAELP Cn1nccc1C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275508545 464777411 /nfs/dbraw/zinc/77/74/11/464777411.db2.gz CJXCPPMBSCVWOJ-OAHLLOKOSA-N 2 2 331.489 2.363 10 0 EEAELP Cn1nccc1C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275508545 464777416 /nfs/dbraw/zinc/77/74/16/464777416.db2.gz CJXCPPMBSCVWOJ-OAHLLOKOSA-N 2 2 331.489 2.363 10 0 EEAELP C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000248651784 464779884 /nfs/dbraw/zinc/77/98/84/464779884.db2.gz NAIOSBHTCRQUBN-HKUYNNGSSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000248651784 464779888 /nfs/dbraw/zinc/77/98/88/464779888.db2.gz NAIOSBHTCRQUBN-HKUYNNGSSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000248651784 464779893 /nfs/dbraw/zinc/77/98/93/464779893.db2.gz NAIOSBHTCRQUBN-HKUYNNGSSA-N 2 2 344.503 2.094 10 0 EEAELP C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000248651784 464779897 /nfs/dbraw/zinc/77/98/97/464779897.db2.gz NAIOSBHTCRQUBN-HKUYNNGSSA-N 2 2 344.503 2.094 10 0 EEAELP COc1nccnc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295540038 464873779 /nfs/dbraw/zinc/87/37/79/464873779.db2.gz XJCBYQUJBQNVHX-DOTOQJQBSA-N 2 2 326.444 2.485 10 0 EEAELP COc1nccnc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295540038 464873785 /nfs/dbraw/zinc/87/37/85/464873785.db2.gz XJCBYQUJBQNVHX-DOTOQJQBSA-N 2 2 326.444 2.485 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337523463 465413862 /nfs/dbraw/zinc/41/38/62/465413862.db2.gz ALDCEQTVNCDVLF-UKRRQHHQSA-N 2 2 347.850 2.414 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337523463 465413865 /nfs/dbraw/zinc/41/38/65/465413865.db2.gz ALDCEQTVNCDVLF-UKRRQHHQSA-N 2 2 347.850 2.414 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000337837784 465618164 /nfs/dbraw/zinc/61/81/64/465618164.db2.gz JVMRRFQMENSTNL-QGZVFWFLSA-N 2 2 347.503 2.296 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)Cc2cc(C)c(OC)c(C)c2)CC1 ZINC000337837784 465618174 /nfs/dbraw/zinc/61/81/74/465618174.db2.gz JVMRRFQMENSTNL-QGZVFWFLSA-N 2 2 347.503 2.296 10 0 EEAELP CCCn1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000344519603 465638317 /nfs/dbraw/zinc/63/83/17/465638317.db2.gz GBJAKXCJULQFKO-LJQANCHMSA-N 2 2 328.460 2.020 10 0 EEAELP CCCn1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000344519603 465638323 /nfs/dbraw/zinc/63/83/23/465638323.db2.gz GBJAKXCJULQFKO-LJQANCHMSA-N 2 2 328.460 2.020 10 0 EEAELP Cc1[nH+]c2ccccc2n1CC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371229391 465656762 /nfs/dbraw/zinc/65/67/62/465656762.db2.gz IYDCFBNJLZZTIP-HZPDHXFCSA-N 2 2 326.444 2.335 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000353436874 465882488 /nfs/dbraw/zinc/88/24/88/465882488.db2.gz AMHFKCAWGVXSCA-OKILXGFUSA-N 2 2 331.451 2.343 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1CC[NH+](CC(F)F)CC1 ZINC000353436874 465882493 /nfs/dbraw/zinc/88/24/93/465882493.db2.gz AMHFKCAWGVXSCA-OKILXGFUSA-N 2 2 331.451 2.343 10 0 EEAELP CC(C)c1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000301844337 466044445 /nfs/dbraw/zinc/04/44/45/466044445.db2.gz LLBPQIDSBYRMPG-YIONKMFJSA-N 2 2 335.521 2.409 10 0 EEAELP CC(C)c1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000301844337 466044449 /nfs/dbraw/zinc/04/44/49/466044449.db2.gz LLBPQIDSBYRMPG-YIONKMFJSA-N 2 2 335.521 2.409 10 0 EEAELP CCOc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)ccc1O ZINC000340566434 466174987 /nfs/dbraw/zinc/17/49/87/466174987.db2.gz ACLDWBUVODXOIA-GOSISDBHSA-N 2 2 347.503 2.393 10 0 EEAELP CCOc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)ccc1O ZINC000340566434 466174993 /nfs/dbraw/zinc/17/49/93/466174993.db2.gz ACLDWBUVODXOIA-GOSISDBHSA-N 2 2 347.503 2.393 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357828399 466244432 /nfs/dbraw/zinc/24/44/32/466244432.db2.gz JJHDZVJEDARHJV-LSDHHAIUSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000357828399 466244440 /nfs/dbraw/zinc/24/44/40/466244440.db2.gz JJHDZVJEDARHJV-LSDHHAIUSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357828399 466244448 /nfs/dbraw/zinc/24/44/48/466244448.db2.gz JJHDZVJEDARHJV-LSDHHAIUSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000357828399 466244453 /nfs/dbraw/zinc/24/44/53/466244453.db2.gz JJHDZVJEDARHJV-LSDHHAIUSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000357829667 466246407 /nfs/dbraw/zinc/24/64/07/466246407.db2.gz LLTCPVQEZWBYLA-BZUAXINKSA-N 2 2 347.507 2.324 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000357829667 466246411 /nfs/dbraw/zinc/24/64/11/466246411.db2.gz LLTCPVQEZWBYLA-BZUAXINKSA-N 2 2 347.507 2.324 10 0 EEAELP C[C@@H](CCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000353980169 466298374 /nfs/dbraw/zinc/29/83/74/466298374.db2.gz ACIKKBCJEVZODF-FUDCBSFHSA-N 2 2 335.414 2.391 10 0 EEAELP C[C@@H](CCC(F)(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000353980169 466298378 /nfs/dbraw/zinc/29/83/78/466298378.db2.gz ACIKKBCJEVZODF-FUDCBSFHSA-N 2 2 335.414 2.391 10 0 EEAELP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000361972561 466449262 /nfs/dbraw/zinc/44/92/62/466449262.db2.gz SENRPUWTWPYSFT-SFHVURJKSA-N 2 2 325.456 2.412 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000358213593 466545004 /nfs/dbraw/zinc/54/50/04/466545004.db2.gz AXEIHPNZRPGKSH-MFKMUULPSA-N 2 2 341.249 2.260 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000358213593 466545013 /nfs/dbraw/zinc/54/50/13/466545013.db2.gz AXEIHPNZRPGKSH-MFKMUULPSA-N 2 2 341.249 2.260 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3[C@H](CCC[N@H+]3C)C1)CCC2 ZINC000332703909 466554893 /nfs/dbraw/zinc/55/48/93/466554893.db2.gz FTSXHKRIRGJPTR-BBWFWOEESA-N 2 2 345.491 2.195 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N1CC[C@H]3[C@H](CCC[N@@H+]3C)C1)CCC2 ZINC000332703909 466554896 /nfs/dbraw/zinc/55/48/96/466554896.db2.gz FTSXHKRIRGJPTR-BBWFWOEESA-N 2 2 345.491 2.195 10 0 EEAELP Cc1ccc([C@H](CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000422884829 466686369 /nfs/dbraw/zinc/68/63/69/466686369.db2.gz XQXXMVYJWXOGPW-QXAKKESOSA-N 2 2 333.476 2.082 10 0 EEAELP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)ccc1S(C)(=O)=O ZINC000423239261 466702877 /nfs/dbraw/zinc/70/28/77/466702877.db2.gz JQWNSFWHUPUTKO-CZUORRHYSA-N 2 2 348.468 2.449 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423358692 466727309 /nfs/dbraw/zinc/72/73/09/466727309.db2.gz JSDKSEJPGLBRQH-XEZPLFJOSA-N 2 2 325.478 2.097 10 0 EEAELP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488007 466756673 /nfs/dbraw/zinc/75/66/73/466756673.db2.gz DBJUHJQSJGJUAE-HAGHYFMRSA-N 3 2 329.488 2.150 10 0 EEAELP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C3)cc1 ZINC000423488007 466756675 /nfs/dbraw/zinc/75/66/75/466756675.db2.gz DBJUHJQSJGJUAE-HAGHYFMRSA-N 3 2 329.488 2.150 10 0 EEAELP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1OCC(=O)N(C)C ZINC000423559219 466773510 /nfs/dbraw/zinc/77/35/10/466773510.db2.gz OUAFZKKIULKVGG-NVXWUHKLSA-N 2 2 333.476 2.336 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000370226015 466803920 /nfs/dbraw/zinc/80/39/20/466803920.db2.gz AWBQLJNWPBCVQY-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000370226015 466803924 /nfs/dbraw/zinc/80/39/24/466803924.db2.gz AWBQLJNWPBCVQY-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000370226015 466803928 /nfs/dbraw/zinc/80/39/28/466803928.db2.gz AWBQLJNWPBCVQY-LSDHHAIUSA-N 2 2 333.480 2.419 10 0 EEAELP CCOC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCCC1 ZINC000375123950 466812591 /nfs/dbraw/zinc/81/25/91/466812591.db2.gz AIHKIZLBFAYOTO-JWTNVVGKSA-N 2 2 349.519 2.105 10 0 EEAELP CCOC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCC1 ZINC000375123950 466812598 /nfs/dbraw/zinc/81/25/98/466812598.db2.gz AIHKIZLBFAYOTO-JWTNVVGKSA-N 2 2 349.519 2.105 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC1CCCC1 ZINC000370307413 466832294 /nfs/dbraw/zinc/83/22/94/466832294.db2.gz ZWTDHVDQKIYBRM-HNNXBMFYSA-N 2 2 330.476 2.458 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)NC1CCCC1 ZINC000370307413 466832299 /nfs/dbraw/zinc/83/22/99/466832299.db2.gz ZWTDHVDQKIYBRM-HNNXBMFYSA-N 2 2 330.476 2.458 10 0 EEAELP CC(C)n1cncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000424136403 466987361 /nfs/dbraw/zinc/98/73/61/466987361.db2.gz AOHZVMLYRDDPRR-ICSRJNTNSA-N 2 2 342.487 2.437 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377973424 467174354 /nfs/dbraw/zinc/17/43/54/467174354.db2.gz XDVMJAUILWONIL-IBGZPJMESA-N 2 2 348.466 2.251 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377973424 467174356 /nfs/dbraw/zinc/17/43/56/467174356.db2.gz XDVMJAUILWONIL-IBGZPJMESA-N 2 2 348.466 2.251 10 0 EEAELP Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000432866553 467270310 /nfs/dbraw/zinc/27/03/10/467270310.db2.gz SESWPMUUYCLSPI-INIZCTEOSA-N 2 2 341.459 2.182 10 0 EEAELP Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)nc(-c2ccncc2)[nH+]1 ZINC000432866553 467270315 /nfs/dbraw/zinc/27/03/15/467270315.db2.gz SESWPMUUYCLSPI-INIZCTEOSA-N 2 2 341.459 2.182 10 0 EEAELP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000420365498 467379947 /nfs/dbraw/zinc/37/99/47/467379947.db2.gz QDRKBJALUYTVEB-GOSISDBHSA-N 2 2 347.503 2.157 10 0 EEAELP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414836513 467435933 /nfs/dbraw/zinc/43/59/33/467435933.db2.gz SSUWHOOAHNBAFK-CQSZACIVSA-N 2 2 342.365 2.459 10 0 EEAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(C)c1 ZINC000449391044 467636359 /nfs/dbraw/zinc/63/63/59/467636359.db2.gz HMJKXNBIBIOKNG-MSOLQXFVSA-N 2 2 347.503 2.457 10 0 EEAELP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(C)c1 ZINC000449391044 467636360 /nfs/dbraw/zinc/63/63/60/467636360.db2.gz HMJKXNBIBIOKNG-MSOLQXFVSA-N 2 2 347.503 2.457 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000457752002 467696076 /nfs/dbraw/zinc/69/60/76/467696076.db2.gz NWOVVSBIVOGOHC-SFHVURJKSA-N 2 2 341.459 2.099 10 0 EEAELP CC(=O)c1ccccc1OCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528732301 467742263 /nfs/dbraw/zinc/74/22/63/467742263.db2.gz ZYJCICVGKREXPO-UHFFFAOYSA-N 2 2 346.471 2.455 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000528937833 467781346 /nfs/dbraw/zinc/78/13/46/467781346.db2.gz FDUQWVBRGNDAJZ-IRXDYDNUSA-N 2 2 326.444 2.313 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000528937833 467781348 /nfs/dbraw/zinc/78/13/48/467781348.db2.gz FDUQWVBRGNDAJZ-IRXDYDNUSA-N 2 2 326.444 2.313 10 0 EEAELP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000529719582 467901649 /nfs/dbraw/zinc/90/16/49/467901649.db2.gz PELSSZANEBNBTR-KRWDZBQOSA-N 2 2 339.443 2.404 10 0 EEAELP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000529719582 467901651 /nfs/dbraw/zinc/90/16/51/467901651.db2.gz PELSSZANEBNBTR-KRWDZBQOSA-N 2 2 339.443 2.404 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000530245457 467967701 /nfs/dbraw/zinc/96/77/01/467967701.db2.gz YMYWXHLPGQVTPN-CRAIPNDOSA-N 2 2 334.460 2.344 10 0 EEAELP COc1ccc(OC)c([C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000530245457 467967705 /nfs/dbraw/zinc/96/77/05/467967705.db2.gz YMYWXHLPGQVTPN-CRAIPNDOSA-N 2 2 334.460 2.344 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCCC[C@H]3C3(O)CC3)c2cc1C ZINC000516912637 468054929 /nfs/dbraw/zinc/05/49/29/468054929.db2.gz YJWSAMYQHMALCA-APWZRJJASA-N 2 2 343.471 2.393 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCCC[C@H]3C3(O)CC3)c2cc1C ZINC000516912637 468054931 /nfs/dbraw/zinc/05/49/31/468054931.db2.gz YJWSAMYQHMALCA-APWZRJJASA-N 2 2 343.471 2.393 10 0 EEAELP Cc1nc(N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488414227 468085893 /nfs/dbraw/zinc/08/58/93/468085893.db2.gz NFSFYCKVOPEZFW-OAHLLOKOSA-N 2 2 340.475 2.347 10 0 EEAELP Cc1nc(N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000488414227 468085894 /nfs/dbraw/zinc/08/58/94/468085894.db2.gz NFSFYCKVOPEZFW-OAHLLOKOSA-N 2 2 340.475 2.347 10 0 EEAELP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851994 468224025 /nfs/dbraw/zinc/22/40/25/468224025.db2.gz FBHOBPYZBYOKQD-RBUKOAKNSA-N 3 2 331.504 2.086 10 0 EEAELP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851994 468224032 /nfs/dbraw/zinc/22/40/32/468224032.db2.gz FBHOBPYZBYOKQD-RBUKOAKNSA-N 3 2 331.504 2.086 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000533890365 468227394 /nfs/dbraw/zinc/22/73/94/468227394.db2.gz AWXYFMJJPAISDW-ROUUACIJSA-N 2 2 341.459 2.408 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000533890365 468227399 /nfs/dbraw/zinc/22/73/99/468227399.db2.gz AWXYFMJJPAISDW-ROUUACIJSA-N 2 2 341.459 2.408 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000557784415 468653931 /nfs/dbraw/zinc/65/39/31/468653931.db2.gz FWDWPCLBOGJVMG-LJQANCHMSA-N 2 2 326.444 2.134 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000557784415 468653933 /nfs/dbraw/zinc/65/39/33/468653933.db2.gz FWDWPCLBOGJVMG-LJQANCHMSA-N 2 2 326.444 2.134 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)CC1 ZINC000592523559 468719443 /nfs/dbraw/zinc/71/94/43/468719443.db2.gz OEBALWPEBOPNEF-IYBDPMFKSA-N 2 2 326.481 2.340 10 0 EEAELP CC(C)(C)OC(=O)COCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000601145167 468760620 /nfs/dbraw/zinc/76/06/20/468760620.db2.gz RFGYDUAHQOKVIW-UHFFFAOYSA-N 2 2 337.445 2.382 10 0 EEAELP COCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000584473677 468881338 /nfs/dbraw/zinc/88/13/38/468881338.db2.gz KQQVFRMFHZINOZ-UHFFFAOYSA-N 2 2 349.866 2.121 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572103161 468885449 /nfs/dbraw/zinc/88/54/49/468885449.db2.gz DAWPQLGVBWNWIU-XYPWUTKMSA-N 2 2 341.459 2.269 10 0 EEAELP C[C@@H](CNC(=O)NCc1cn2c([nH+]1)CCCC2)[NH+]1CCC(C)CC1 ZINC000588975324 469184296 /nfs/dbraw/zinc/18/42/96/469184296.db2.gz UBIROQVWXKWOIK-HNNXBMFYSA-N 2 2 333.480 2.139 10 0 EEAELP C[C@H]1CC[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[NH2+]1 ZINC000629393905 469530295 /nfs/dbraw/zinc/53/02/95/469530295.db2.gz DRBHMDGPFPRWPG-SWLSCSKDSA-N 2 2 328.416 2.078 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000617014767 469573689 /nfs/dbraw/zinc/57/36/89/469573689.db2.gz PEXRENJPJBADLY-NCOADZHNSA-N 2 2 339.524 2.109 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000617014767 469573693 /nfs/dbraw/zinc/57/36/93/469573693.db2.gz PEXRENJPJBADLY-NCOADZHNSA-N 2 2 339.524 2.109 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583473 469583639 /nfs/dbraw/zinc/58/36/39/469583639.db2.gz AETCMCJWPPLWLA-HQXFYFIMSA-N 2 2 345.531 2.391 10 0 EEAELP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629583473 469583641 /nfs/dbraw/zinc/58/36/41/469583641.db2.gz AETCMCJWPPLWLA-HQXFYFIMSA-N 2 2 345.531 2.391 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000606394724 469601130 /nfs/dbraw/zinc/60/11/30/469601130.db2.gz DIVAPYSCWDGLAY-KRWDZBQOSA-N 2 2 335.517 2.439 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000606394724 469601136 /nfs/dbraw/zinc/60/11/36/469601136.db2.gz DIVAPYSCWDGLAY-KRWDZBQOSA-N 2 2 335.517 2.439 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)CC2 ZINC000623547840 469689602 /nfs/dbraw/zinc/68/96/02/469689602.db2.gz DSCWEAZFRHIGBG-RDJZCZTQSA-N 2 2 344.434 2.312 10 0 EEAELP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978343 469689874 /nfs/dbraw/zinc/68/98/74/469689874.db2.gz RPSKZGNWKLHLNE-AEFFLSMTSA-N 2 2 337.414 2.311 10 0 EEAELP C[N@@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978343 469689877 /nfs/dbraw/zinc/68/98/77/469689877.db2.gz RPSKZGNWKLHLNE-AEFFLSMTSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978343 469689879 /nfs/dbraw/zinc/68/98/79/469689879.db2.gz RPSKZGNWKLHLNE-AEFFLSMTSA-N 2 2 337.414 2.311 10 0 EEAELP C[NH+](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)C1CCC1 ZINC000629978343 469689883 /nfs/dbraw/zinc/68/98/83/469689883.db2.gz RPSKZGNWKLHLNE-AEFFLSMTSA-N 2 2 337.414 2.311 10 0 EEAELP C[C@H]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C[NH2+]1 ZINC000626928726 469758231 /nfs/dbraw/zinc/75/82/31/469758231.db2.gz CHYMBWPONLFUSP-HOCLYGCPSA-N 2 2 331.464 2.012 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000617762483 469794607 /nfs/dbraw/zinc/79/46/07/469794607.db2.gz PVWVXNOJXQYQQG-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(C(F)(F)F)c1O ZINC000617762483 469794610 /nfs/dbraw/zinc/79/46/10/469794610.db2.gz PVWVXNOJXQYQQG-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1csc2ccccc12 ZINC000617767050 469797973 /nfs/dbraw/zinc/79/79/73/469797973.db2.gz DRSGMTMJVJLRGM-UHFFFAOYSA-N 2 2 333.501 2.444 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1csc2ccccc12 ZINC000617767050 469797978 /nfs/dbraw/zinc/79/79/78/469797978.db2.gz DRSGMTMJVJLRGM-UHFFFAOYSA-N 2 2 333.501 2.444 10 0 EEAELP Cc1noc(C)c1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000608296102 469798718 /nfs/dbraw/zinc/79/87/18/469798718.db2.gz UDDDQHDTEVWOTN-UHFFFAOYSA-N 2 2 349.479 2.363 10 0 EEAELP COc1cccc2cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)oc21 ZINC000617767512 469799347 /nfs/dbraw/zinc/79/93/47/469799347.db2.gz YPLKUFSGUVILNC-UHFFFAOYSA-N 2 2 333.432 2.055 10 0 EEAELP COc1cccc2cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)oc21 ZINC000617767512 469799348 /nfs/dbraw/zinc/79/93/48/469799348.db2.gz YPLKUFSGUVILNC-UHFFFAOYSA-N 2 2 333.432 2.055 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091790 469848194 /nfs/dbraw/zinc/84/81/94/469848194.db2.gz BLFGZDQESAOATE-ZIAGYGMSSA-N 2 2 325.453 2.068 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)CC2 ZINC000624155612 469859178 /nfs/dbraw/zinc/85/91/78/469859178.db2.gz YLDXFPZHPJACEA-DOTOQJQBSA-N 2 2 332.492 2.382 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000624155612 469859179 /nfs/dbraw/zinc/85/91/79/469859179.db2.gz YLDXFPZHPJACEA-DOTOQJQBSA-N 2 2 332.492 2.382 10 0 EEAELP CC[NH+]1CCN(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)CC1 ZINC000608727136 469867461 /nfs/dbraw/zinc/86/74/61/469867461.db2.gz CMRHIWHDRNYIOP-KRWDZBQOSA-N 2 2 341.459 2.051 10 0 EEAELP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000624302682 469900937 /nfs/dbraw/zinc/90/09/37/469900937.db2.gz GYVGAXZPSXFRRC-ZWKOTPCHSA-N 2 2 342.443 2.462 10 0 EEAELP C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630732465 469972756 /nfs/dbraw/zinc/97/27/56/469972756.db2.gz YZFPKHTUUSXTSK-MRXNPFEDSA-N 2 2 326.444 2.405 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630742702 469977313 /nfs/dbraw/zinc/97/73/13/469977313.db2.gz JTOXMNLOQLQPAH-INIZCTEOSA-N 2 2 326.444 2.405 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000630742702 469977317 /nfs/dbraw/zinc/97/73/17/469977317.db2.gz JTOXMNLOQLQPAH-INIZCTEOSA-N 2 2 326.444 2.405 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625141021 470083756 /nfs/dbraw/zinc/08/37/56/470083756.db2.gz KUPVPOHFXVJEJE-ZDUSSCGKSA-N 2 2 332.370 2.321 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625141021 470083759 /nfs/dbraw/zinc/08/37/59/470083759.db2.gz KUPVPOHFXVJEJE-ZDUSSCGKSA-N 2 2 332.370 2.321 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621751332 470103670 /nfs/dbraw/zinc/10/36/70/470103670.db2.gz DMKRRMGHBIBPSK-AEFFLSMTSA-N 2 2 331.460 2.185 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621751332 470103671 /nfs/dbraw/zinc/10/36/71/470103671.db2.gz DMKRRMGHBIBPSK-AEFFLSMTSA-N 2 2 331.460 2.185 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887120 470189347 /nfs/dbraw/zinc/18/93/47/470189347.db2.gz OANFMEZUKAWXLL-HFTRVMKXSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631887120 470189348 /nfs/dbraw/zinc/18/93/48/470189348.db2.gz OANFMEZUKAWXLL-HFTRVMKXSA-N 2 2 333.451 2.419 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887082 470189477 /nfs/dbraw/zinc/18/94/77/470189477.db2.gz MDCYIQUNQQWWQN-QXAKKESOSA-N 2 2 329.488 2.116 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631887082 470189478 /nfs/dbraw/zinc/18/94/78/470189478.db2.gz MDCYIQUNQQWWQN-QXAKKESOSA-N 2 2 329.488 2.116 10 0 EEAELP Cc1cc(N)cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000632971473 470303625 /nfs/dbraw/zinc/30/36/25/470303625.db2.gz WESGYXZHFALYHN-UHFFFAOYSA-N 2 2 333.480 2.067 10 0 EEAELP Cc1cc(N)cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000632971473 470303629 /nfs/dbraw/zinc/30/36/29/470303629.db2.gz WESGYXZHFALYHN-UHFFFAOYSA-N 2 2 333.480 2.067 10 0 EEAELP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCNc1ccc2ccccc2[nH+]1 ZINC000646033155 470500423 /nfs/dbraw/zinc/50/04/23/470500423.db2.gz ADQMCZDDYMWFGF-IRXDYDNUSA-N 2 2 340.471 3.061 10 0 EEAELP O=C([C@@H]1C[C@H]1c1c[nH+]c[nH]1)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000635791197 470755924 /nfs/dbraw/zinc/75/59/24/470755924.db2.gz NODKUUHMBCRANQ-HZPDHXFCSA-N 2 2 327.432 2.429 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000644577867 470986201 /nfs/dbraw/zinc/98/62/01/470986201.db2.gz NCHAHOOYJBFXEA-RAFMOHDBSA-N 3 2 331.504 2.084 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000644577867 470986204 /nfs/dbraw/zinc/98/62/04/470986204.db2.gz NCHAHOOYJBFXEA-RAFMOHDBSA-N 3 2 331.504 2.084 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000644577867 470986206 /nfs/dbraw/zinc/98/62/06/470986206.db2.gz NCHAHOOYJBFXEA-RAFMOHDBSA-N 3 2 331.504 2.084 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000644577867 470986209 /nfs/dbraw/zinc/98/62/09/470986209.db2.gz NCHAHOOYJBFXEA-RAFMOHDBSA-N 3 2 331.504 2.084 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000647900867 471011723 /nfs/dbraw/zinc/01/17/23/471011723.db2.gz GGEVRJIEWVMLRM-RRFJBIMHSA-N 2 2 347.425 2.251 10 0 EEAELP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000647900867 471011726 /nfs/dbraw/zinc/01/17/26/471011726.db2.gz GGEVRJIEWVMLRM-RRFJBIMHSA-N 2 2 347.425 2.251 10 0 EEAELP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901838 471012379 /nfs/dbraw/zinc/01/23/79/471012379.db2.gz WIEOXGAHXNVFLV-QGPMSJSTSA-N 2 2 333.451 2.294 10 0 EEAELP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901838 471012382 /nfs/dbraw/zinc/01/23/82/471012382.db2.gz WIEOXGAHXNVFLV-QGPMSJSTSA-N 2 2 333.451 2.294 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccnn1-c1ccccc1)CCO2 ZINC000648071990 471077214 /nfs/dbraw/zinc/07/72/14/471077214.db2.gz FQQVKMITMYFDDW-UHFFFAOYSA-N 2 2 326.444 2.169 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccnn1-c1ccccc1)CCO2 ZINC000648071990 471077222 /nfs/dbraw/zinc/07/72/22/471077222.db2.gz FQQVKMITMYFDDW-UHFFFAOYSA-N 2 2 326.444 2.169 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000651193089 471085046 /nfs/dbraw/zinc/08/50/46/471085046.db2.gz KTDSLZMWRFAYAX-DLBZAZTESA-N 2 2 335.496 2.454 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000651193089 471085052 /nfs/dbraw/zinc/08/50/52/471085052.db2.gz KTDSLZMWRFAYAX-DLBZAZTESA-N 2 2 335.496 2.454 10 0 EEAELP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cn(C3CCC3)nn2)[C@H](C)C1 ZINC000657363458 471115198 /nfs/dbraw/zinc/11/51/98/471115198.db2.gz OQUPYEWGRTXHOG-QAPCUYQASA-N 2 2 335.496 2.230 10 0 EEAELP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(C3CCC3)nn2)[C@H](C)C1 ZINC000657363458 471115202 /nfs/dbraw/zinc/11/52/02/471115202.db2.gz OQUPYEWGRTXHOG-QAPCUYQASA-N 2 2 335.496 2.230 10 0 EEAELP Cc1c(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000657524823 471161448 /nfs/dbraw/zinc/16/14/48/471161448.db2.gz SGVZPNTUOBYHOW-QGZVFWFLSA-N 2 2 342.487 2.447 10 0 EEAELP Cc1c(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c(=O)n(-c2ccccc2)n1C ZINC000657524823 471161452 /nfs/dbraw/zinc/16/14/52/471161452.db2.gz SGVZPNTUOBYHOW-QGZVFWFLSA-N 2 2 342.487 2.447 10 0 EEAELP [NH3+]CC1(CCNC(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000652126187 471240239 /nfs/dbraw/zinc/24/02/39/471240239.db2.gz XWKXIZSWJQOBSQ-UHFFFAOYSA-N 2 2 345.491 2.390 10 0 EEAELP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cnccc2o1 ZINC000657865826 471242071 /nfs/dbraw/zinc/24/20/71/471242071.db2.gz TYJAFCZITNJEOL-GDBMZVCRSA-N 2 2 344.459 2.421 10 0 EEAELP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc2cnccc2o1 ZINC000657865826 471242074 /nfs/dbraw/zinc/24/20/74/471242074.db2.gz TYJAFCZITNJEOL-GDBMZVCRSA-N 2 2 344.459 2.421 10 0 EEAELP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000655243310 471290216 /nfs/dbraw/zinc/29/02/16/471290216.db2.gz WMHHGZHHBRBILT-BDXSIMOUSA-N 2 2 339.524 2.111 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CC3CCC(O)CC3)c2cc1C ZINC000663366863 471342403 /nfs/dbraw/zinc/34/24/03/471342403.db2.gz QLKXABLSIYSYCB-JCYILVPMSA-N 2 2 331.460 2.155 10 0 EEAELP CCN(C(=O)NCCn1c(C)[nH+]c2ccccc21)[C@@H]1CC[N@H+](C)C1 ZINC000663500319 471401798 /nfs/dbraw/zinc/40/17/98/471401798.db2.gz JSXUWICMCDLLKZ-OAHLLOKOSA-N 2 2 329.448 2.080 10 0 EEAELP CCN(C(=O)NCCn1c(C)[nH+]c2ccccc21)[C@@H]1CC[N@@H+](C)C1 ZINC000663500319 471401802 /nfs/dbraw/zinc/40/18/02/471401802.db2.gz JSXUWICMCDLLKZ-OAHLLOKOSA-N 2 2 329.448 2.080 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N(CC)[C@@H]2CC[N@H+](C)C2)c[nH+]1 ZINC000663588335 471438765 /nfs/dbraw/zinc/43/87/65/471438765.db2.gz JLONWBQQHBYMJC-MRXNPFEDSA-N 2 2 333.480 2.163 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)c[nH+]1 ZINC000663588335 471438768 /nfs/dbraw/zinc/43/87/68/471438768.db2.gz JLONWBQQHBYMJC-MRXNPFEDSA-N 2 2 333.480 2.163 10 0 EEAELP O=C(NCC12CC(C1)C[NH2+]2)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000659006355 471464099 /nfs/dbraw/zinc/46/40/99/471464099.db2.gz MVPGICDWPVJHQE-UHFFFAOYSA-N 2 2 349.438 2.475 10 0 EEAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653124094 471500043 /nfs/dbraw/zinc/50/00/43/471500043.db2.gz QQHLIZJGPZCYCK-MSOLQXFVSA-N 2 2 338.455 2.273 10 0 EEAELP CCN(C(=O)NCc1cn2cc(C)ccc2[nH+]1)[C@H]1CC[N@H+](CC)C1 ZINC000663762799 471506761 /nfs/dbraw/zinc/50/67/61/471506761.db2.gz LSYWRFLKUDDZGQ-INIZCTEOSA-N 2 2 329.448 2.268 10 0 EEAELP CCN(C(=O)NCc1cn2cc(C)ccc2[nH+]1)[C@H]1CC[N@@H+](CC)C1 ZINC000663762799 471506766 /nfs/dbraw/zinc/50/67/66/471506766.db2.gz LSYWRFLKUDDZGQ-INIZCTEOSA-N 2 2 329.448 2.268 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653149787 471509222 /nfs/dbraw/zinc/50/92/22/471509222.db2.gz FQDHEVGNBGTZOS-HZPDHXFCSA-N 2 2 333.451 2.421 10 0 EEAELP OC1(C[NH+]2CCC(Cc3[nH]c4ccccc4[nH+]3)CC2)CCOCC1 ZINC000660856631 471521542 /nfs/dbraw/zinc/52/15/42/471521542.db2.gz RMHHNNWNQXWAEN-UHFFFAOYSA-N 2 2 329.444 2.359 10 0 EEAELP Cc1nc(NC[C@@H]2CCCC[N@@H+]2CCO)c(Br)c(C)[nH+]1 ZINC000663954984 471588414 /nfs/dbraw/zinc/58/84/14/471588414.db2.gz ZEMCGOOVJGMGMZ-LBPRGKRZSA-N 2 2 343.269 2.115 10 0 EEAELP Cc1nc(NC[C@@H]2CCCC[N@H+]2CCO)c(Br)c(C)[nH+]1 ZINC000663954984 471588422 /nfs/dbraw/zinc/58/84/22/471588422.db2.gz ZEMCGOOVJGMGMZ-LBPRGKRZSA-N 2 2 343.269 2.115 10 0 EEAELP C[C@H](NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1[nH+]ccn1C ZINC000661030118 471596268 /nfs/dbraw/zinc/59/62/68/471596268.db2.gz WPMOQPRDPKTYFC-ZOBUZTSGSA-N 2 2 341.459 2.301 10 0 EEAELP C[C@H](NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1[nH+]ccn1C ZINC000661030118 471596271 /nfs/dbraw/zinc/59/62/71/471596271.db2.gz WPMOQPRDPKTYFC-ZOBUZTSGSA-N 2 2 341.459 2.301 10 0 EEAELP COc1c(C)[nH+]cnc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000656127459 471598178 /nfs/dbraw/zinc/59/81/78/471598178.db2.gz JWSSZBQKLYILAR-UHFFFAOYSA-N 2 2 342.443 2.431 10 0 EEAELP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)c1[nH+]ccn1C ZINC000659581244 471686055 /nfs/dbraw/zinc/68/60/55/471686055.db2.gz JHXBLEYQTFUHFS-APHBMKBZSA-N 2 2 345.422 2.065 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc2cccnc21 ZINC000664330631 471721316 /nfs/dbraw/zinc/72/13/16/471721316.db2.gz KODRXKHJJGZJHF-UHFFFAOYSA-N 2 2 329.448 2.240 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc2cccnc21 ZINC000664330631 471721320 /nfs/dbraw/zinc/72/13/20/471721320.db2.gz KODRXKHJJGZJHF-UHFFFAOYSA-N 2 2 329.448 2.240 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000664332375 471722206 /nfs/dbraw/zinc/72/22/06/471722206.db2.gz XWQFIJLSFJPIMW-UHFFFAOYSA-N 2 2 341.525 2.446 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000664332375 471722211 /nfs/dbraw/zinc/72/22/11/471722211.db2.gz XWQFIJLSFJPIMW-UHFFFAOYSA-N 2 2 341.525 2.446 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCO[C@H]3CC3(F)F)c2cc1C ZINC000656708364 471814922 /nfs/dbraw/zinc/81/49/22/471814922.db2.gz MNBYZDATPNUGIE-BBRMVZONSA-N 2 2 339.386 2.028 10 0 EEAELP C[C@@H](Cc1ccco1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000667641737 471854658 /nfs/dbraw/zinc/85/46/58/471854658.db2.gz BRYKPWHOALZTPX-HNNXBMFYSA-N 2 2 333.476 2.133 10 0 EEAELP C[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)c1[nH+]ccn1C ZINC000660215324 471908178 /nfs/dbraw/zinc/90/81/78/471908178.db2.gz PNVMGSSGPPRFRD-UONOGXRCSA-N 2 2 331.420 2.210 10 0 EEAELP Cc1cccn2c(NC(=O)NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c[nH+]c12 ZINC000667947926 471957454 /nfs/dbraw/zinc/95/74/54/471957454.db2.gz HEYUGWITUUIHDW-GJZGRUSLSA-N 2 2 345.447 2.264 10 0 EEAELP Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C)c2[nH+]ccn2C)CC1 ZINC000662095449 471982921 /nfs/dbraw/zinc/98/29/21/471982921.db2.gz GTLOTOFWRFXHLF-AWEZNQCLSA-N 2 2 343.431 2.438 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2CCn3cc[nH+]c32)cc1F ZINC000665259549 471983015 /nfs/dbraw/zinc/98/30/15/471983015.db2.gz IUJMRYRLDHTELE-BPUTZDHNSA-N 2 2 330.407 2.211 10 0 EEAELP COc1cccc(SCC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662147160 472009876 /nfs/dbraw/zinc/00/98/76/472009876.db2.gz CPRKAEPWWVPRGM-INIZCTEOSA-N 2 2 336.501 2.318 10 0 EEAELP COc1cccc(SCC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662147160 472009877 /nfs/dbraw/zinc/00/98/77/472009877.db2.gz CPRKAEPWWVPRGM-INIZCTEOSA-N 2 2 336.501 2.318 10 0 EEAELP COc1cc(C[N@H+](C[C@H]2C[NH2+]CCO2)C2CC2)ccc1OC(F)F ZINC000662249686 472041407 /nfs/dbraw/zinc/04/14/07/472041407.db2.gz XNMYWBRHISFZGH-CQSZACIVSA-N 2 2 342.386 2.249 10 0 EEAELP COc1cc(C[N@@H+](C[C@H]2C[NH2+]CCO2)C2CC2)ccc1OC(F)F ZINC000662249686 472041411 /nfs/dbraw/zinc/04/14/11/472041411.db2.gz XNMYWBRHISFZGH-CQSZACIVSA-N 2 2 342.386 2.249 10 0 EEAELP COCC[NH2+]C1CC[NH+](CCc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000662285468 472055956 /nfs/dbraw/zinc/05/59/56/472055956.db2.gz KERBODFVXAVQDN-UHFFFAOYSA-N 2 2 342.386 2.251 10 0 EEAELP CC(C)N(C(=O)C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCC1 ZINC000662319795 472069062 /nfs/dbraw/zinc/06/90/62/472069062.db2.gz MRFZEJVQQKFUPI-GOSISDBHSA-N 2 2 339.524 2.209 10 0 EEAELP CC(C)N(C(=O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCC1 ZINC000662319795 472069068 /nfs/dbraw/zinc/06/90/68/472069068.db2.gz MRFZEJVQQKFUPI-GOSISDBHSA-N 2 2 339.524 2.209 10 0 EEAELP C[C@H](NC(=O)Nc1cccc(OCC[NH+](C)C)c1)c1[nH+]ccn1C ZINC000665604081 472107825 /nfs/dbraw/zinc/10/78/25/472107825.db2.gz WRPPPMCIOALGGX-ZDUSSCGKSA-N 2 2 331.420 2.243 10 0 EEAELP CCOc1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccc1OC ZINC000668741572 472250306 /nfs/dbraw/zinc/25/03/06/472250306.db2.gz UXPYPQSBSUGLPM-QGZVFWFLSA-N 2 2 334.460 2.125 10 0 EEAELP CCOc1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)ccc1OC ZINC000668741572 472250313 /nfs/dbraw/zinc/25/03/13/472250313.db2.gz UXPYPQSBSUGLPM-QGZVFWFLSA-N 2 2 334.460 2.125 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CC[NH+]1C1CCCC1)[N@@H+]1CCO[C@H](CC)C1 ZINC000530026371 485530213 /nfs/dbraw/zinc/53/02/13/485530213.db2.gz HNNZEWHRHSGAJR-KURKYZTESA-N 2 2 337.508 2.009 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CC[NH+]1C1CCCC1)[N@H+]1CCO[C@H](CC)C1 ZINC000530026371 485530219 /nfs/dbraw/zinc/53/02/19/485530219.db2.gz HNNZEWHRHSGAJR-KURKYZTESA-N 2 2 337.508 2.009 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)[NH+]1CCO[C@H](CC)C1 ZINC000530026371 485530224 /nfs/dbraw/zinc/53/02/24/485530224.db2.gz HNNZEWHRHSGAJR-KURKYZTESA-N 2 2 337.508 2.009 10 0 EEAELP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[NH+]1CCO[C@H](CC)C1 ZINC000530026371 485530233 /nfs/dbraw/zinc/53/02/33/485530233.db2.gz HNNZEWHRHSGAJR-KURKYZTESA-N 2 2 337.508 2.009 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000651195785 485533979 /nfs/dbraw/zinc/53/39/79/485533979.db2.gz ZHGOTWVPOLOOMZ-QGZVFWFLSA-N 2 2 334.464 2.222 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000651195785 485533991 /nfs/dbraw/zinc/53/39/91/485533991.db2.gz ZHGOTWVPOLOOMZ-QGZVFWFLSA-N 2 2 334.464 2.222 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1F ZINC000679227171 485623555 /nfs/dbraw/zinc/62/35/55/485623555.db2.gz XBFRKMCNIITXJD-FUHWJXTLSA-N 2 2 333.451 2.011 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3ccccc3)CC2)C[C@H]1F ZINC000679227171 485623561 /nfs/dbraw/zinc/62/35/61/485623561.db2.gz XBFRKMCNIITXJD-FUHWJXTLSA-N 2 2 333.451 2.011 10 0 EEAELP CN(CCC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cc[nH+]cc1 ZINC000679406742 485688472 /nfs/dbraw/zinc/68/84/72/485688472.db2.gz TWOYRUUBAJJGJV-UHFFFAOYSA-N 2 2 344.484 2.314 10 0 EEAELP C[C@@H]1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C[NH2+]1 ZINC000629542715 485730223 /nfs/dbraw/zinc/73/02/23/485730223.db2.gz JRHWOVVPDFJGRN-XFKAJCMBSA-N 2 2 337.895 2.442 10 0 EEAELP C[C@@H]1CC[C@H](N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C[NH2+]1 ZINC000629542715 485730232 /nfs/dbraw/zinc/73/02/32/485730232.db2.gz JRHWOVVPDFJGRN-XFKAJCMBSA-N 2 2 337.895 2.442 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000676705840 486285750 /nfs/dbraw/zinc/28/57/50/486285750.db2.gz ZEISVQHRBQGSMD-SFHVURJKSA-N 2 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000676705840 486285753 /nfs/dbraw/zinc/28/57/53/486285753.db2.gz ZEISVQHRBQGSMD-SFHVURJKSA-N 2 2 328.460 2.082 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000682131685 486426638 /nfs/dbraw/zinc/42/66/38/486426638.db2.gz CBJOXGZMGJYVGM-WMZOPIPTSA-N 2 2 329.448 2.102 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000682131685 486426640 /nfs/dbraw/zinc/42/66/40/486426640.db2.gz CBJOXGZMGJYVGM-WMZOPIPTSA-N 2 2 329.448 2.102 10 0 EEAELP COc1cccc(C[NH2+]C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000682942819 486589985 /nfs/dbraw/zinc/58/99/85/486589985.db2.gz RCZRQDGMYPPPQK-INIZCTEOSA-N 2 2 340.427 2.207 10 0 EEAELP CC[NH+](CC)CC1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000337349585 517638177 /nfs/dbraw/zinc/63/81/77/517638177.db2.gz QCERYWFKMSAPNS-UHFFFAOYSA-N 2 2 347.507 2.411 10 0 EEAELP CCC(CC)(C[NH3+])C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1 ZINC000236688096 534934351 /nfs/dbraw/zinc/93/43/51/534934351.db2.gz NPKBUVIWMVENOT-GASCZTMLSA-N 2 2 348.491 2.077 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000726796851 576300363 /nfs/dbraw/zinc/30/03/63/576300363.db2.gz KYBDMSDWAYTJIV-LJQANCHMSA-N 2 2 328.460 2.082 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000726796851 576300366 /nfs/dbraw/zinc/30/03/66/576300366.db2.gz KYBDMSDWAYTJIV-LJQANCHMSA-N 2 2 328.460 2.082 10 0 EEAELP C[C@H](C[C@@H]1CCOC1)[NH2+][C@]1(CO)CCC[N@H+](Cc2ccccc2)C1 ZINC000777023985 577471177 /nfs/dbraw/zinc/47/11/77/577471177.db2.gz LIYHFHFVDJNKRL-YZGWKJHDSA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H](C[C@@H]1CCOC1)[NH2+][C@]1(CO)CCC[N@@H+](Cc2ccccc2)C1 ZINC000777023985 577471178 /nfs/dbraw/zinc/47/11/78/577471178.db2.gz LIYHFHFVDJNKRL-YZGWKJHDSA-N 2 2 332.488 2.418 10 0 EEAELP COC(=O)C[C@]1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCCOC1 ZINC000770676164 577601510 /nfs/dbraw/zinc/60/15/10/577601510.db2.gz HQDSQXNQKRJASV-MRXNPFEDSA-N 2 2 335.429 2.136 10 0 EEAELP COC(=O)[C@@H]1[C@H](CN(c2cccc[nH+]2)[C@H]2CC[C@H]([NH3+])CC2)C1(F)F ZINC000895114202 683951836 /nfs/dbraw/zinc/95/18/36/683951836.db2.gz ZHLZSDWLAUOUMI-ABHRYQDASA-N 2 2 339.386 2.212 10 0 EEAELP O=C1N(CC[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C[C@H]2CCCCN12 ZINC000895342687 684519171 /nfs/dbraw/zinc/51/91/71/684519171.db2.gz OEFBOSHHSGPKIV-GOSISDBHSA-N 2 2 339.443 2.252 10 0 EEAELP C[NH+](C)Cc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1Cl ZINC000897626555 691704273 /nfs/dbraw/zinc/70/42/73/691704273.db2.gz RHGSQNOBBZWAJE-HNNXBMFYSA-N 2 2 337.851 2.061 10 0 EEAELP Cc1ccc(C)c(C[NH+]2CC([C@H](C)NC(=O)Cn3cc[nH+]c3)C2)c1 ZINC001485540189 1191828427 /nfs/dbraw/zinc/82/84/27/1191828427.db2.gz WUMUCTPBSZYPQK-INIZCTEOSA-N 2 2 326.444 2.137 10 0 EEAELP CCCCC[N@@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001266320527 1176249249 /nfs/dbraw/zinc/24/92/49/1176249249.db2.gz BWNZHBIGKYUNIH-YOEHRIQHSA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[N@H+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001266320527 1176249268 /nfs/dbraw/zinc/24/92/68/1176249268.db2.gz BWNZHBIGKYUNIH-YOEHRIQHSA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001266320527 1176249292 /nfs/dbraw/zinc/24/92/92/1176249292.db2.gz BWNZHBIGKYUNIH-YOEHRIQHSA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[NH+]1CC[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001266320527 1176249304 /nfs/dbraw/zinc/24/93/04/1176249304.db2.gz BWNZHBIGKYUNIH-YOEHRIQHSA-N 2 2 333.480 2.171 10 0 EEAELP CC(C)OCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266496545 1176642659 /nfs/dbraw/zinc/64/26/59/1176642659.db2.gz QMQNLOSIEGMDTQ-OKZBNKHCSA-N 2 2 348.491 2.325 10 0 EEAELP CC(C)OCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001266496545 1176642662 /nfs/dbraw/zinc/64/26/62/1176642662.db2.gz QMQNLOSIEGMDTQ-OKZBNKHCSA-N 2 2 348.491 2.325 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)CCCn2cc[nH+]c2C)sc1C ZINC001266897228 1177748282 /nfs/dbraw/zinc/74/82/82/1177748282.db2.gz HEKKAWYCPYRZPP-UHFFFAOYSA-N 2 2 349.504 2.293 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001691368745 1177974344 /nfs/dbraw/zinc/97/43/44/1177974344.db2.gz BORLFVJXPDXBGR-HNNXBMFYSA-N 2 2 346.862 2.347 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691386119 1177992599 /nfs/dbraw/zinc/99/25/99/1177992599.db2.gz MQWJNOYHNFBZPR-INIZCTEOSA-N 2 2 344.459 2.382 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691386119 1177992607 /nfs/dbraw/zinc/99/26/07/1177992607.db2.gz MQWJNOYHNFBZPR-INIZCTEOSA-N 2 2 344.459 2.382 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296522 1178702811 /nfs/dbraw/zinc/70/28/11/1178702811.db2.gz PGKHYPUISJQINQ-NMBNSIPYSA-N 2 2 330.476 2.240 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001267296522 1178702817 /nfs/dbraw/zinc/70/28/17/1178702817.db2.gz PGKHYPUISJQINQ-NMBNSIPYSA-N 2 2 330.476 2.240 10 0 EEAELP CCc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001267393017 1178962940 /nfs/dbraw/zinc/96/29/40/1178962940.db2.gz PTOAVLDMKPQZLE-GOSISDBHSA-N 2 2 340.471 2.256 10 0 EEAELP Cc1cc(C[N@H+](C)CCNC(=O)C[NH+](C)Cc2ccccc2)sn1 ZINC001480953493 1179149528 /nfs/dbraw/zinc/14/95/28/1179149528.db2.gz QFGPNYWOLBOGNX-UHFFFAOYSA-N 2 2 346.500 2.132 10 0 EEAELP Cc1cc(C[N@@H+](C)CCNC(=O)C[NH+](C)Cc2ccccc2)sn1 ZINC001480953493 1179149533 /nfs/dbraw/zinc/14/95/33/1179149533.db2.gz QFGPNYWOLBOGNX-UHFFFAOYSA-N 2 2 346.500 2.132 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)C[N@H+](C)Cc2ccccc2)sn1 ZINC001480953493 1179149544 /nfs/dbraw/zinc/14/95/44/1179149544.db2.gz QFGPNYWOLBOGNX-UHFFFAOYSA-N 2 2 346.500 2.132 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)C[N@@H+](C)Cc2ccccc2)sn1 ZINC001480953493 1179149549 /nfs/dbraw/zinc/14/95/49/1179149549.db2.gz QFGPNYWOLBOGNX-UHFFFAOYSA-N 2 2 346.500 2.132 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc21 ZINC001481063760 1179665021 /nfs/dbraw/zinc/66/50/21/1179665021.db2.gz GMGZOYBAPWZXTD-VQIMIIECSA-N 2 2 338.455 2.231 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCc2ccccc21 ZINC001481063760 1179665027 /nfs/dbraw/zinc/66/50/27/1179665027.db2.gz GMGZOYBAPWZXTD-VQIMIIECSA-N 2 2 338.455 2.231 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267657584 1180115962 /nfs/dbraw/zinc/11/59/62/1180115962.db2.gz AEGZFFKCPMFLBV-IRXDYDNUSA-N 2 2 330.476 2.192 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001267657584 1180115965 /nfs/dbraw/zinc/11/59/65/1180115965.db2.gz AEGZFFKCPMFLBV-IRXDYDNUSA-N 2 2 330.476 2.192 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C(C)C)o1 ZINC001481319441 1181024688 /nfs/dbraw/zinc/02/46/88/1181024688.db2.gz DWDYTVZDVOBFKF-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ncc(C(C)C)o1 ZINC001481319441 1181024691 /nfs/dbraw/zinc/02/46/91/1181024691.db2.gz DWDYTVZDVOBFKF-OAHLLOKOSA-N 2 2 336.480 2.220 10 0 EEAELP CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001481432244 1181326391 /nfs/dbraw/zinc/32/63/91/1181326391.db2.gz NRWLSBQFNKFZBN-PBHICJAKSA-N 2 2 333.480 2.028 10 0 EEAELP CCC[N@H+]1CC[C@@H](CCNC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001481432244 1181326395 /nfs/dbraw/zinc/32/63/95/1181326395.db2.gz NRWLSBQFNKFZBN-PBHICJAKSA-N 2 2 333.480 2.028 10 0 EEAELP CCC[NH+]1CC[C@@H](CCNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001481432244 1181326401 /nfs/dbraw/zinc/32/64/01/1181326401.db2.gz NRWLSBQFNKFZBN-PBHICJAKSA-N 2 2 333.480 2.028 10 0 EEAELP CCC[NH+]1CC[C@@H](CCNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001481432244 1181326404 /nfs/dbraw/zinc/32/64/04/1181326404.db2.gz NRWLSBQFNKFZBN-PBHICJAKSA-N 2 2 333.480 2.028 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001481559435 1181719028 /nfs/dbraw/zinc/71/90/28/1181719028.db2.gz LREMKSNRFDGJOT-WMLDXEAASA-N 2 2 348.491 2.012 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CCC(F)(F)F ZINC001268192091 1181985876 /nfs/dbraw/zinc/98/58/76/1181985876.db2.gz LQTAYNNQLKNQCS-YPMHNXCESA-N 2 2 332.370 2.121 10 0 EEAELP CC(C)[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001268214282 1182023453 /nfs/dbraw/zinc/02/34/53/1182023453.db2.gz WHDLNNFGVVXSOY-HNNXBMFYSA-N 2 2 349.866 2.321 10 0 EEAELP CC(C)[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[NH2+]Cc1ccnc(Cl)c1 ZINC001268214282 1182023456 /nfs/dbraw/zinc/02/34/56/1182023456.db2.gz WHDLNNFGVVXSOY-HNNXBMFYSA-N 2 2 349.866 2.321 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC=C(C)C ZINC001268275602 1182129822 /nfs/dbraw/zinc/12/98/22/1182129822.db2.gz AUTOTTXAZFSDEO-DOTOQJQBSA-N 2 2 331.460 2.473 10 0 EEAELP Cc1cc(C[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)n2cc[nH+]c2)sn1 ZINC001268405558 1182519995 /nfs/dbraw/zinc/51/99/95/1182519995.db2.gz JKINRLQVTWXKKL-GXTWGEPZSA-N 2 2 335.477 2.284 10 0 EEAELP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@H](OC)C2CCCC2)C1 ZINC001481775240 1182670839 /nfs/dbraw/zinc/67/08/39/1182670839.db2.gz LYBZUNLSIPZWLS-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP CCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC001481775240 1182670847 /nfs/dbraw/zinc/67/08/47/1182670847.db2.gz LYBZUNLSIPZWLS-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]Cc1cc2ccccc2o1 ZINC001268578617 1183341462 /nfs/dbraw/zinc/34/14/62/1183341462.db2.gz YMYJRFAFFREPFB-ONEGZZNKSA-N 2 2 338.411 2.482 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]CC=C(Cl)Cl ZINC001482162902 1183481577 /nfs/dbraw/zinc/48/15/77/1183481577.db2.gz FRKNNEVENQKIHZ-NSHDSACASA-N 2 2 333.263 2.014 10 0 EEAELP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCn3cc[nH+]c3C2)c1 ZINC001268803527 1183721177 /nfs/dbraw/zinc/72/11/77/1183721177.db2.gz LCIUOLNVWBBBHV-SFHVURJKSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@@H]([NH2+]CCOC1CCC1)[C@@H]1CCCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001482471633 1185998609 /nfs/dbraw/zinc/99/86/09/1185998609.db2.gz KXAXLXCSNHCTPO-HZPDHXFCSA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]([NH2+]CCOC1CCC1)[C@@H]1CCCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001482471633 1185998613 /nfs/dbraw/zinc/99/86/13/1185998613.db2.gz KXAXLXCSNHCTPO-HZPDHXFCSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001271544116 1186303046 /nfs/dbraw/zinc/30/30/46/1186303046.db2.gz NGGPGLJBEGYZCF-FUHWJXTLSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCOC1 ZINC001271544116 1186303051 /nfs/dbraw/zinc/30/30/51/1186303051.db2.gz NGGPGLJBEGYZCF-FUHWJXTLSA-N 2 2 348.491 2.130 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCC1CC1 ZINC001482530593 1186520487 /nfs/dbraw/zinc/52/04/87/1186520487.db2.gz CUMVXXXOYDSRKB-QGZVFWFLSA-N 2 2 332.492 2.292 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)ccc1F)C(=O)CCc1[nH+]ccn1C ZINC001482938799 1187861726 /nfs/dbraw/zinc/86/17/26/1187861726.db2.gz DRRUFGMIKJBYNT-UHFFFAOYSA-N 2 2 346.450 2.439 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CCc1[nH+]ccn1C ZINC001482939869 1187864658 /nfs/dbraw/zinc/86/46/58/1187864658.db2.gz VQUGZSBZNZEFJM-ZACQAIPSSA-N 2 2 332.492 2.227 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(C(C)C)n1)C(=O)Cc1[nH]cc[nH+]1 ZINC001482960701 1187893041 /nfs/dbraw/zinc/89/30/41/1187893041.db2.gz VEKMFBVKRFWYPL-UHFFFAOYSA-N 2 2 329.448 2.109 10 0 EEAELP CC(C)C[C@@H](C(=O)N(C)CC[NH2+]Cc1ccns1)n1cc[nH+]c1 ZINC001493586680 1193533749 /nfs/dbraw/zinc/53/37/49/1193533749.db2.gz BGAPGGOFZVSZCK-HNNXBMFYSA-N 2 2 335.477 2.175 10 0 EEAELP C[C@@H]([NH2+]C/C=C/CNC(=O)c1cc(C[NH+](C)C)on1)c1ccccc1 ZINC001483028165 1188038871 /nfs/dbraw/zinc/03/88/71/1188038871.db2.gz MFQFGIXFTYFFTB-MVGZEHJDSA-N 2 2 342.443 2.373 10 0 EEAELP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)CCc2c[nH+]cn2C)c1 ZINC001691580636 1188278526 /nfs/dbraw/zinc/27/85/26/1188278526.db2.gz DGZHSKMDDSQBFU-UHFFFAOYSA-N 2 2 328.460 2.218 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001272224063 1188378210 /nfs/dbraw/zinc/37/82/10/1188378210.db2.gz KXNQCMCXLXVAPL-HZPDHXFCSA-N 2 2 348.491 2.037 10 0 EEAELP COCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@H]21 ZINC001272224063 1188378214 /nfs/dbraw/zinc/37/82/14/1188378214.db2.gz KXNQCMCXLXVAPL-HZPDHXFCSA-N 2 2 348.491 2.037 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001272822885 1193562069 /nfs/dbraw/zinc/56/20/69/1193562069.db2.gz IJYUQUVETISQPB-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(Cl)n1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001272822885 1193562073 /nfs/dbraw/zinc/56/20/73/1193562073.db2.gz IJYUQUVETISQPB-LBPRGKRZSA-N 2 2 335.839 2.075 10 0 EEAELP C[C@H](C[NH2+]Cc1ccccc1Cl)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001483145430 1188769164 /nfs/dbraw/zinc/76/91/64/1188769164.db2.gz ZFNZXACKRGNJHB-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP CCOCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001691633149 1189327388 /nfs/dbraw/zinc/32/73/88/1189327388.db2.gz XFMCKJHKTQUAPN-SJORKVTESA-N 2 2 336.480 2.232 10 0 EEAELP C[C@@H](NC(=O)CCc1[nH+]ccn1C)[C@@H](C)[NH2+]CCc1ccccc1 ZINC001409390660 1189614085 /nfs/dbraw/zinc/61/40/85/1189614085.db2.gz USHRJNMFXFXPNL-HZPDHXFCSA-N 2 2 328.460 2.078 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1 ZINC001409657293 1190155661 /nfs/dbraw/zinc/15/56/61/1190155661.db2.gz OCSKDUXKCFUNPS-HZPDHXFCSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1 ZINC001409657293 1190155665 /nfs/dbraw/zinc/15/56/65/1190155665.db2.gz OCSKDUXKCFUNPS-HZPDHXFCSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@H+](C)CCc1ccccc1 ZINC001409657293 1190155670 /nfs/dbraw/zinc/15/56/70/1190155670.db2.gz OCSKDUXKCFUNPS-HZPDHXFCSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1 ZINC001409657293 1190155672 /nfs/dbraw/zinc/15/56/72/1190155672.db2.gz OCSKDUXKCFUNPS-HZPDHXFCSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)[C@@H]1CCc2c1c(F)ccc2F ZINC001409687513 1190185869 /nfs/dbraw/zinc/18/58/69/1190185869.db2.gz FJJIZZZFSMRIAY-BLLLJJGKSA-N 2 2 348.397 2.285 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)[C@@H]1CCc2c1c(F)ccc2F ZINC001409687513 1190185874 /nfs/dbraw/zinc/18/58/74/1190185874.db2.gz FJJIZZZFSMRIAY-BLLLJJGKSA-N 2 2 348.397 2.285 10 0 EEAELP C[C@@H](C[NH2+]Cc1ncc(C2CC2)o1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483271382 1190297945 /nfs/dbraw/zinc/29/79/45/1190297945.db2.gz UELBGFSRDXBOBH-GJZGRUSLSA-N 2 2 348.491 2.411 10 0 EEAELP C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483356360 1190394526 /nfs/dbraw/zinc/39/45/26/1190394526.db2.gz LXYNQSPPKYMWMG-NVXWUHKLSA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](C[N@@H+](C)CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001483356360 1190394529 /nfs/dbraw/zinc/39/45/29/1190394529.db2.gz LXYNQSPPKYMWMG-NVXWUHKLSA-N 2 2 344.503 2.462 10 0 EEAELP Cc1nc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001483392504 1190436611 /nfs/dbraw/zinc/43/66/11/1190436611.db2.gz ZHHYCLLRISYVBA-OLZOCXBDSA-N 2 2 333.436 2.076 10 0 EEAELP Cc1nc(C)c(C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001483392504 1190436615 /nfs/dbraw/zinc/43/66/15/1190436615.db2.gz ZHHYCLLRISYVBA-OLZOCXBDSA-N 2 2 333.436 2.076 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C/Cl)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001483504628 1190518577 /nfs/dbraw/zinc/51/85/77/1190518577.db2.gz YHZFSLRBNSUHBV-XFFZJAGNSA-N 2 2 333.263 2.444 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC1CCCC1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001483571713 1190559972 /nfs/dbraw/zinc/55/99/72/1190559972.db2.gz SCTQYVJMGKGDJU-WMZOPIPTSA-N 2 2 330.476 2.120 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C2C[NH+](CC3CC(C)C3)C2)c[nH+]1 ZINC001409897472 1190959275 /nfs/dbraw/zinc/95/92/75/1190959275.db2.gz GBYQCQPEYYSLMH-SIWZUTFBSA-N 2 2 332.492 2.409 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CC[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001272653168 1190964357 /nfs/dbraw/zinc/96/43/57/1190964357.db2.gz OVSZKVYVXWNNRO-KRWDZBQOSA-N 2 2 341.459 2.087 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC001483780058 1191024764 /nfs/dbraw/zinc/02/47/64/1191024764.db2.gz ZGOKXKZITFSZKY-OAHLLOKOSA-N 2 2 346.381 2.156 10 0 EEAELP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484049673 1191175131 /nfs/dbraw/zinc/17/51/31/1191175131.db2.gz PCUKXQQKWCEDKO-BSCWQEJHSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001484049673 1191175132 /nfs/dbraw/zinc/17/51/32/1191175132.db2.gz PCUKXQQKWCEDKO-BSCWQEJHSA-N 2 2 330.476 2.382 10 0 EEAELP CCC1([NH2+]Cc2coc(C)n2)CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001484814767 1191534347 /nfs/dbraw/zinc/53/43/47/1191534347.db2.gz UGDMOKGHQOBKLT-UHFFFAOYSA-N 2 2 345.447 2.131 10 0 EEAELP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485063469 1191640466 /nfs/dbraw/zinc/64/04/66/1191640466.db2.gz PAZQJRPYINQSCV-AEFFLSMTSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485063469 1191640468 /nfs/dbraw/zinc/64/04/68/1191640468.db2.gz PAZQJRPYINQSCV-AEFFLSMTSA-N 2 2 332.492 2.414 10 0 EEAELP C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001485214175 1191696032 /nfs/dbraw/zinc/69/60/32/1191696032.db2.gz HKHPKDQESCNYMS-OLZOCXBDSA-N 2 2 334.851 2.299 10 0 EEAELP CCO[C@@H](C[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001485329676 1191737431 /nfs/dbraw/zinc/73/74/31/1191737431.db2.gz VURCJXQBLCFYSL-PBHICJAKSA-N 2 2 344.459 2.200 10 0 EEAELP CCO[C@@H](C[N@@H+](C)[C@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001485329676 1191737433 /nfs/dbraw/zinc/73/74/33/1191737433.db2.gz VURCJXQBLCFYSL-PBHICJAKSA-N 2 2 344.459 2.200 10 0 EEAELP CC[C@@H](F)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485486854 1191809855 /nfs/dbraw/zinc/80/98/55/1191809855.db2.gz YFYMMPIKLSEKFC-WBVHZDCISA-N 2 2 338.471 2.462 10 0 EEAELP CC[C@@H](F)C[N@H+]1CCCCC[C@H]1CNC(=O)CCc1c[nH+]cn1C ZINC001485486854 1191809856 /nfs/dbraw/zinc/80/98/56/1191809856.db2.gz YFYMMPIKLSEKFC-WBVHZDCISA-N 2 2 338.471 2.462 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2cc[nH+]c2)C1 ZINC001486223033 1193760258 /nfs/dbraw/zinc/76/02/58/1193760258.db2.gz WTQDBJZUMSXZSW-HOTGVXAUSA-N 2 2 345.447 2.034 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001486413004 1193922059 /nfs/dbraw/zinc/92/20/59/1193922059.db2.gz YBXDAFNWBPKUHN-SJORKVTESA-N 2 2 339.524 2.159 10 0 EEAELP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)(C)C ZINC001486413004 1193922063 /nfs/dbraw/zinc/92/20/63/1193922063.db2.gz YBXDAFNWBPKUHN-SJORKVTESA-N 2 2 339.524 2.159 10 0 EEAELP CC[NH2+]C1(CNC(=O)c2cnco2)CC[NH+](Cc2ccccc2)CC1 ZINC001486452195 1193973595 /nfs/dbraw/zinc/97/35/95/1193973595.db2.gz XGCUKLNPMBCKSE-UHFFFAOYSA-N 2 2 342.443 2.049 10 0 EEAELP CC[C@H](C)C[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001486490521 1194002474 /nfs/dbraw/zinc/00/24/74/1194002474.db2.gz SZCLJBXJPOOMGJ-HNNXBMFYSA-N 2 2 332.492 2.370 10 0 EEAELP C[C@H](CC(=O)NCC1=CC[N@H+](C[C@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC001486516457 1194021611 /nfs/dbraw/zinc/02/16/11/1194021611.db2.gz IGEOMKRHBPCGQT-SJLPKXTDSA-N 2 2 346.475 2.009 10 0 EEAELP C[C@H](CC(=O)NCC1=CC[N@@H+](C[C@H]2CCCOC2)CC1)n1cc[nH+]c1 ZINC001486516457 1194021615 /nfs/dbraw/zinc/02/16/15/1194021615.db2.gz IGEOMKRHBPCGQT-SJLPKXTDSA-N 2 2 346.475 2.009 10 0 EEAELP CC(C)[C@H](C(=O)NCC1=CC[N@H+](Cc2ccon2)CC1)[NH+]1CCCC1 ZINC001486522176 1194044082 /nfs/dbraw/zinc/04/40/82/1194044082.db2.gz ZDSPMYYGJVWLGV-GOSISDBHSA-N 2 2 346.475 2.043 10 0 EEAELP CC(C)[C@H](C(=O)NCC1=CC[N@@H+](Cc2ccon2)CC1)[NH+]1CCCC1 ZINC001486522176 1194044087 /nfs/dbraw/zinc/04/40/87/1194044087.db2.gz ZDSPMYYGJVWLGV-GOSISDBHSA-N 2 2 346.475 2.043 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CCC1=CCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001691670355 1194349757 /nfs/dbraw/zinc/34/97/57/1194349757.db2.gz MBOOPFGCHOAPFU-KRWDZBQOSA-N 2 2 330.476 2.386 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CCC1=CCCCC1)C(=O)Cc1c[nH+]cn1C ZINC001691670355 1194349761 /nfs/dbraw/zinc/34/97/61/1194349761.db2.gz MBOOPFGCHOAPFU-KRWDZBQOSA-N 2 2 330.476 2.386 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C/C(Cl)=C/Cl)C2)C1 ZINC001493238703 1248640874 /nfs/dbraw/zinc/64/08/74/1248640874.db2.gz DBQAHDTUVAPQRV-QWXIZGFTSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](C/C(Cl)=C/Cl)C2)C1 ZINC001493238703 1248640888 /nfs/dbraw/zinc/64/08/88/1248640888.db2.gz DBQAHDTUVAPQRV-QWXIZGFTSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001493238703 1248640901 /nfs/dbraw/zinc/64/09/01/1248640901.db2.gz DBQAHDTUVAPQRV-QWXIZGFTSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C/Cl)C2)C1 ZINC001493238703 1248640915 /nfs/dbraw/zinc/64/09/15/1248640915.db2.gz DBQAHDTUVAPQRV-QWXIZGFTSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H](CC[NH2+]CC[C@@H]1CCCC1(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001273212894 1197559851 /nfs/dbraw/zinc/55/98/51/1197559851.db2.gz VMXNXBTVQSNWNQ-KBPBESRZSA-N 2 2 328.407 2.193 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C ZINC000872149441 1198057513 /nfs/dbraw/zinc/05/75/13/1198057513.db2.gz NXPGWQYOJDMMHF-TZMCWYRMSA-N 2 2 330.350 2.351 10 0 EEAELP COC(=O)c1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)ccc1C ZINC000872149441 1198057520 /nfs/dbraw/zinc/05/75/20/1198057520.db2.gz NXPGWQYOJDMMHF-TZMCWYRMSA-N 2 2 330.350 2.351 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)C2 ZINC000872154191 1198061886 /nfs/dbraw/zinc/06/18/86/1198061886.db2.gz RABNFYQSYAQOCE-XNJJOIOASA-N 2 2 337.826 2.126 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@H+]([C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)C2 ZINC000872154191 1198061895 /nfs/dbraw/zinc/06/18/95/1198061895.db2.gz RABNFYQSYAQOCE-XNJJOIOASA-N 2 2 337.826 2.126 10 0 EEAELP COCCN(CC1CC[NH+](C)CC1)c1cc(NCC2CC2)[nH+]cn1 ZINC000865997138 1198449504 /nfs/dbraw/zinc/44/95/04/1198449504.db2.gz WQFMRIGWVRDSKY-UHFFFAOYSA-N 2 2 333.480 2.093 10 0 EEAELP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cscn1)CC2)C1CCC1 ZINC001410885667 1198534716 /nfs/dbraw/zinc/53/47/16/1198534716.db2.gz BZJADNZMSMPZTJ-AEFFLSMTSA-N 2 2 348.516 2.241 10 0 EEAELP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](Cc1cscn1)CC2)C1CCC1 ZINC001410885667 1198534720 /nfs/dbraw/zinc/53/47/20/1198534720.db2.gz BZJADNZMSMPZTJ-AEFFLSMTSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1cscn1)CC2)C1CCC1 ZINC001410885667 1198534725 /nfs/dbraw/zinc/53/47/25/1198534725.db2.gz BZJADNZMSMPZTJ-AEFFLSMTSA-N 2 2 348.516 2.241 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cscn1)CC2)C1CCC1 ZINC001410885667 1198534729 /nfs/dbraw/zinc/53/47/29/1198534729.db2.gz BZJADNZMSMPZTJ-AEFFLSMTSA-N 2 2 348.516 2.241 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1C[C@@H]2CCC[C@H]([NH2+]C/C=C\Cl)[C@@H]2C1 ZINC001410908530 1198574053 /nfs/dbraw/zinc/57/40/53/1198574053.db2.gz CNPPILZBYXOGQY-XIGWNKQESA-N 2 2 336.867 2.242 10 0 EEAELP CC(C)C[C@@H](C)C[NH2+][C@H]1CN(C(=O)Cc2c[nH+]cn2C)CC1(C)C ZINC001411115366 1198811415 /nfs/dbraw/zinc/81/14/15/1198811415.db2.gz OGUYGOGQRVBILG-WBVHZDCISA-N 2 2 334.508 2.471 10 0 EEAELP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[C@H](C)n3cc[nH+]c3)C2)c1 ZINC001411249661 1198971782 /nfs/dbraw/zinc/97/17/82/1198971782.db2.gz UCCAJVJMGNYUBS-ZLPCBKJTSA-N 2 2 341.459 2.317 10 0 EEAELP C[C@H](c1cccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1)[NH+]1CCOCC1 ZINC000870882184 1200930375 /nfs/dbraw/zinc/93/03/75/1200930375.db2.gz VFGJIQDZLLPIPX-RGPZOAQRSA-N 2 2 329.444 2.146 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1)C[N@@H+]1CCc2ccccc2C1 ZINC000866227960 1201470611 /nfs/dbraw/zinc/47/06/11/1201470611.db2.gz DILDITHUFMHWHX-NJYVYQBISA-N 2 2 344.499 2.343 10 0 EEAELP O[C@H](C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1)C[N@H+]1CCc2ccccc2C1 ZINC000866227960 1201470614 /nfs/dbraw/zinc/47/06/14/1201470614.db2.gz DILDITHUFMHWHX-NJYVYQBISA-N 2 2 344.499 2.343 10 0 EEAELP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000869104760 1201940088 /nfs/dbraw/zinc/94/00/88/1201940088.db2.gz AQJMSAILAVZPQN-KRWDZBQOSA-N 2 2 330.476 2.299 10 0 EEAELP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000869104760 1201940090 /nfs/dbraw/zinc/94/00/90/1201940090.db2.gz AQJMSAILAVZPQN-KRWDZBQOSA-N 2 2 330.476 2.299 10 0 EEAELP O=C(NC/C=C/C[NH2+]CC1=CCCCC1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001274141467 1204399794 /nfs/dbraw/zinc/39/97/94/1204399794.db2.gz HYVQHFWREJLPCH-LAQIPUCWSA-N 2 2 328.460 2.208 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@H]1C[NH2+]CCC[C@@H]1CCOC1 ZINC001275004252 1205232108 /nfs/dbraw/zinc/23/21/08/1205232108.db2.gz RPEZBPLSBPQKMT-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]CCC[C@@H]1CCOC1 ZINC001275004252 1205232109 /nfs/dbraw/zinc/23/21/09/1205232109.db2.gz RPEZBPLSBPQKMT-AEFFLSMTSA-N 2 2 348.491 2.130 10 0 EEAELP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001411605522 1205449010 /nfs/dbraw/zinc/44/90/10/1205449010.db2.gz XISXLFSCMZSVMU-IRXDYDNUSA-N 2 2 331.460 2.043 10 0 EEAELP CC[N@H+]1CC[C@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC001411605522 1205449011 /nfs/dbraw/zinc/44/90/11/1205449011.db2.gz XISXLFSCMZSVMU-IRXDYDNUSA-N 2 2 331.460 2.043 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1C)C1CCC([NH2+]CCCCCF)CC1 ZINC001275632376 1205454213 /nfs/dbraw/zinc/45/42/13/1205454213.db2.gz GXSFUVNOZCUCEO-UHFFFAOYSA-N 2 2 338.471 2.462 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)o1 ZINC001411615161 1205454540 /nfs/dbraw/zinc/45/45/40/1205454540.db2.gz UCJLVNOWRSVRNX-UHFFFAOYSA-N 2 2 343.427 2.426 10 0 EEAELP c1cc(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)cc(COC2CCOCC2)c1 ZINC000925478108 1206117670 /nfs/dbraw/zinc/11/76/70/1206117670.db2.gz MFPMHFJPXMMRCU-UGKANONSSA-N 2 2 342.483 2.468 10 0 EEAELP c1csc([C@H](C[NH2+][C@@H]2CC[NH2+]C23CCCC3)N2CCOCC2)c1 ZINC000925504488 1206120424 /nfs/dbraw/zinc/12/04/24/1206120424.db2.gz RYLCEIBDVMWBNI-DOTOQJQBSA-N 2 2 335.517 2.386 10 0 EEAELP Cn1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(Br)n1 ZINC000925806908 1206155766 /nfs/dbraw/zinc/15/57/66/1206155766.db2.gz SBJKVCPTYXZYQO-KBPBESRZSA-N 2 2 341.297 2.441 10 0 EEAELP COc1cc(Cl)c(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1C ZINC000926118864 1206194179 /nfs/dbraw/zinc/19/41/79/1206194179.db2.gz CNIGSZQQIWDRKG-UHFFFAOYSA-N 2 2 340.855 2.202 10 0 EEAELP C[C@@]12C[NH+](CCN3CCOC3=O)C[C@@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000931215193 1206616570 /nfs/dbraw/zinc/61/65/70/1206616570.db2.gz VCFDQNYGSVIVCL-PMACEKPBSA-N 2 2 343.471 2.283 10 0 EEAELP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000933739850 1207830649 /nfs/dbraw/zinc/83/06/49/1207830649.db2.gz NGNHXGCUJDLAQD-SKDZVZGDSA-N 2 2 333.863 2.329 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000933739850 1207830652 /nfs/dbraw/zinc/83/06/52/1207830652.db2.gz NGNHXGCUJDLAQD-SKDZVZGDSA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000933739850 1207830655 /nfs/dbraw/zinc/83/06/55/1207830655.db2.gz NGNHXGCUJDLAQD-SKDZVZGDSA-N 2 2 333.863 2.329 10 0 EEAELP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@]2(C)C1 ZINC000933739850 1207830658 /nfs/dbraw/zinc/83/06/58/1207830658.db2.gz NGNHXGCUJDLAQD-SKDZVZGDSA-N 2 2 333.863 2.329 10 0 EEAELP CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000902879836 1238829114 /nfs/dbraw/zinc/82/91/14/1238829114.db2.gz ZMQZUBGWZDWDJD-ZBFHGGJFSA-N 2 2 327.432 2.327 10 0 EEAELP CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000902992567 1239284691 /nfs/dbraw/zinc/28/46/91/1239284691.db2.gz BDJCLNYRCOHVFE-BBRMVZONSA-N 2 2 332.473 2.391 10 0 EEAELP COc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F)O[C@H](C)C2 ZINC000903954283 1242691679 /nfs/dbraw/zinc/69/16/79/1242691679.db2.gz CJKSSHUHRWSXRS-RISCZKNCSA-N 2 2 326.387 2.353 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H]2C[C@H](NC(=O)Cc3c[nH+]cn3C)C2)cc1 ZINC001490946624 1258500609 /nfs/dbraw/zinc/50/06/09/1258500609.db2.gz SBZJIKYCJBZSEJ-IYARVYRRSA-N 2 2 340.471 2.141 10 0 EEAELP Cc1ccc([C@@H](C)NC(=O)NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000853472844 1292392842 /nfs/dbraw/zinc/39/28/42/1292392842.db2.gz DXDWMISAFJHJJW-CQSZACIVSA-N 2 2 326.510 2.300 10 0 EEAELP Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000853472844 1292392853 /nfs/dbraw/zinc/39/28/53/1292392853.db2.gz DXDWMISAFJHJJW-CQSZACIVSA-N 2 2 326.510 2.300 10 0 EEAELP C[NH+](C)CCC[C@H]1CN(c2[nH+]cnc3c2cnn3C(C)(C)C)CCO1 ZINC000853989899 1292573461 /nfs/dbraw/zinc/57/34/61/1292573461.db2.gz HEDGTZPDFYHASV-AWEZNQCLSA-N 2 2 346.479 2.128 10 0 EEAELP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(Cl)n1 ZINC000856766323 1293625347 /nfs/dbraw/zinc/62/53/47/1293625347.db2.gz UYCNYDYMWFPARP-UHFFFAOYSA-N 2 2 334.851 2.196 10 0 EEAELP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000858142853 1294021012 /nfs/dbraw/zinc/02/10/12/1294021012.db2.gz OURDLEWKFPUUJP-ROUUACIJSA-N 2 2 329.419 2.193 10 0 EEAELP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(F)c1 ZINC000858142853 1294021021 /nfs/dbraw/zinc/02/10/21/1294021021.db2.gz OURDLEWKFPUUJP-ROUUACIJSA-N 2 2 329.419 2.193 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)OCc1ccc(Cl)cc1 ZINC000859219875 1294352555 /nfs/dbraw/zinc/35/25/55/1294352555.db2.gz JYFYZEAJCSOXDM-UHFFFAOYSA-N 2 2 327.856 2.450 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)OCc1ccc(Cl)cc1 ZINC000859219875 1294352562 /nfs/dbraw/zinc/35/25/62/1294352562.db2.gz JYFYZEAJCSOXDM-UHFFFAOYSA-N 2 2 327.856 2.450 10 0 EEAELP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000861615679 1295478577 /nfs/dbraw/zinc/47/85/77/1295478577.db2.gz UHABXBCRNWIVBT-LKTVYLICSA-N 2 2 342.846 2.213 10 0 EEAELP C[C@H]([NH3+])CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000861615679 1295478583 /nfs/dbraw/zinc/47/85/83/1295478583.db2.gz UHABXBCRNWIVBT-LKTVYLICSA-N 2 2 342.846 2.213 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CCCCC[C@H]([NH2+]CCOCC2CC2)C1 ZINC001264679501 1322781012 /nfs/dbraw/zinc/78/10/12/1322781012.db2.gz GGGNBVUULYGYRC-SFHVURJKSA-N 2 2 348.491 2.061 10 0 EEAELP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265718469 1323350687 /nfs/dbraw/zinc/35/06/87/1323350687.db2.gz ZXZLVGNWTAWWQP-FKTPSGSSSA-N 2 2 330.476 2.329 10 0 EEAELP CC/C=C/CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001265718469 1323350689 /nfs/dbraw/zinc/35/06/89/1323350689.db2.gz ZXZLVGNWTAWWQP-FKTPSGSSSA-N 2 2 330.476 2.329 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cc2ccccc2s1 ZINC001265850810 1323424649 /nfs/dbraw/zinc/42/46/49/1323424649.db2.gz JAGCJDBQJHRHQG-ZDUSSCGKSA-N 2 2 342.468 2.472 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001266018515 1323570013 /nfs/dbraw/zinc/57/00/13/1323570013.db2.gz RNYFPVKEIROKPW-HNNXBMFYSA-N 2 2 346.862 2.286 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CC[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001266028827 1323579145 /nfs/dbraw/zinc/57/91/45/1323579145.db2.gz DTSOHCXIMVZLLE-MRXNPFEDSA-N 2 2 346.500 2.095 10 0 EEAELP Cc1nocc1C[N@@H+]1CCC[C@H]1CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001266219533 1323790372 /nfs/dbraw/zinc/79/03/72/1323790372.db2.gz GVYRIURMGOGEFB-QGZVFWFLSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1nocc1C[N@H+]1CCC[C@H]1CCCNC(=O)CCc1c[nH]c[nH+]1 ZINC001266219533 1323790377 /nfs/dbraw/zinc/79/03/77/1323790377.db2.gz GVYRIURMGOGEFB-QGZVFWFLSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1nocc1C[N@@H+]1CCC[C@H]1CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001266219533 1323790379 /nfs/dbraw/zinc/79/03/79/1323790379.db2.gz GVYRIURMGOGEFB-QGZVFWFLSA-N 2 2 345.447 2.200 10 0 EEAELP Cc1nocc1C[N@H+]1CCC[C@H]1CCCNC(=O)CCc1c[nH+]c[nH]1 ZINC001266219533 1323790386 /nfs/dbraw/zinc/79/03/86/1323790386.db2.gz GVYRIURMGOGEFB-QGZVFWFLSA-N 2 2 345.447 2.200 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1[NH2+]CCCCC(F)(F)F ZINC001281458154 1325122691 /nfs/dbraw/zinc/12/26/91/1325122691.db2.gz SVJMZMZYBRNTEJ-NWDGAFQWSA-N 2 2 332.370 2.121 10 0 EEAELP CCn1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)n1 ZINC001284154752 1326438547 /nfs/dbraw/zinc/43/85/47/1326438547.db2.gz QACKOBCUPAHEAX-SJLPKXTDSA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)n1 ZINC001284154752 1326438550 /nfs/dbraw/zinc/43/85/50/1326438550.db2.gz QACKOBCUPAHEAX-SJLPKXTDSA-N 2 2 349.523 2.104 10 0 EEAELP Cc1cnc(C[N@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)o1 ZINC001284155625 1326439121 /nfs/dbraw/zinc/43/91/21/1326439121.db2.gz VTLYKSAIWWKVSR-CVEARBPZSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1cnc(C[N@@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)o1 ZINC001284155625 1326439124 /nfs/dbraw/zinc/43/91/24/1326439124.db2.gz VTLYKSAIWWKVSR-CVEARBPZSA-N 2 2 336.480 2.184 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC001492176929 1331055447 /nfs/dbraw/zinc/05/54/47/1331055447.db2.gz BBHRYKAULWUTFJ-LJQANCHMSA-N 2 2 340.471 2.487 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCCC[C@@H]1CCC[N@H+]1CCc1ccccc1 ZINC001492176929 1331055453 /nfs/dbraw/zinc/05/54/53/1331055453.db2.gz BBHRYKAULWUTFJ-LJQANCHMSA-N 2 2 340.471 2.487 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001316855566 1331479235 /nfs/dbraw/zinc/47/92/35/1331479235.db2.gz YGURDLJTWKBXAY-HNNXBMFYSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1nccs1 ZINC001316855566 1331479238 /nfs/dbraw/zinc/47/92/38/1331479238.db2.gz YGURDLJTWKBXAY-HNNXBMFYSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](C)Cc1nccs1 ZINC001316855566 1331479240 /nfs/dbraw/zinc/47/92/40/1331479240.db2.gz YGURDLJTWKBXAY-HNNXBMFYSA-N 2 2 338.521 2.344 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1C(=O)NCCC[N@@H+](C)Cc1nccs1 ZINC001316855566 1331479241 /nfs/dbraw/zinc/47/92/41/1331479241.db2.gz YGURDLJTWKBXAY-HNNXBMFYSA-N 2 2 338.521 2.344 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)[NH2+]CC=C(C)C ZINC001318561803 1332561055 /nfs/dbraw/zinc/56/10/55/1332561055.db2.gz KQFYKASGYFLKRT-SJLPKXTDSA-N 2 2 337.508 2.080 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)[NH2+]CC=C(C)C ZINC001318561803 1332561059 /nfs/dbraw/zinc/56/10/59/1332561059.db2.gz KQFYKASGYFLKRT-SJLPKXTDSA-N 2 2 337.508 2.080 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCC[C@@H](CC[NH2+]CCCF)C1 ZINC001318802803 1332600152 /nfs/dbraw/zinc/60/01/52/1332600152.db2.gz CHMPDZBGYIGACD-JKSUJKDBSA-N 2 2 336.455 2.023 10 0 EEAELP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320469237 1332891567 /nfs/dbraw/zinc/89/15/67/1332891567.db2.gz NTSLAKFVXBYCMO-RDJZCZTQSA-N 2 2 330.476 2.430 10 0 EEAELP CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320853444 1332965525 /nfs/dbraw/zinc/96/55/25/1332965525.db2.gz ARKMWDQOIAIODU-ZDUSSCGKSA-N 2 2 333.436 2.077 10 0 EEAELP O=C(NCC=CC[NH2+]Cc1cncc(F)c1)c1cc2c[nH+]ccc2[nH]1 ZINC001321121636 1333024254 /nfs/dbraw/zinc/02/42/54/1333024254.db2.gz VHOQOKJYBJXELU-OWOJBTEDSA-N 2 2 339.374 2.173 10 0 EEAELP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001322582519 1333288291 /nfs/dbraw/zinc/28/82/91/1333288291.db2.gz UNUZPKHZKCGULB-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC001322807275 1333331280 /nfs/dbraw/zinc/33/12/80/1333331280.db2.gz OJJZUYZUQMMYGO-UHFFFAOYSA-N 2 2 340.471 2.388 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H]2C[NH2+]CC[C@@H]2CCCO2)c[nH+]1 ZINC001324180864 1333629412 /nfs/dbraw/zinc/62/94/12/1333629412.db2.gz NAJHIGATAKJCEQ-SJORKVTESA-N 2 2 348.491 2.076 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N2CCC[C@H]2C[NH2+]CC[C@@H]2CCCO2)c[nH+]1 ZINC001324180863 1333629471 /nfs/dbraw/zinc/62/94/71/1333629471.db2.gz NAJHIGATAKJCEQ-IRXDYDNUSA-N 2 2 348.491 2.076 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H]1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001324235507 1333640332 /nfs/dbraw/zinc/64/03/32/1333640332.db2.gz LAJNDORAVLOYBQ-YPMHNXCESA-N 2 2 345.274 2.117 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325914484 1333992805 /nfs/dbraw/zinc/99/28/05/1333992805.db2.gz AFNNIXUQJPVFQU-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP COCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCn1cc[nH+]c1 ZINC001325914484 1333992809 /nfs/dbraw/zinc/99/28/09/1333992809.db2.gz AFNNIXUQJPVFQU-ZWKOTPCHSA-N 2 2 348.491 2.155 10 0 EEAELP CCCCC[NH+]1CC2(C1)C[C@@H](NC(=O)C(C)(C)n1c[nH+]c(C)c1)CO2 ZINC001327397068 1334284537 /nfs/dbraw/zinc/28/45/37/1334284537.db2.gz NEHUQBNZFXETFB-MRXNPFEDSA-N 2 2 348.491 2.076 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1 ZINC001329202535 1334605737 /nfs/dbraw/zinc/60/57/37/1334605737.db2.gz LOOMCCXBDLGSGQ-IAGOWNOFSA-N 2 2 328.460 2.307 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC1(C[NH2+]CCC[C@@H]2CCOC2)CCCCC1 ZINC001329848394 1334726645 /nfs/dbraw/zinc/72/66/45/1334726645.db2.gz KIXFNCKFAGCCDL-MRXNPFEDSA-N 2 2 348.491 2.178 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCC[N@@H+](CCCOC(C)C)C2 ZINC001330512071 1334861276 /nfs/dbraw/zinc/86/12/76/1334861276.db2.gz LFWCCUJSUKQACV-UHFFFAOYSA-N 2 2 348.491 2.000 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CCC[N@H+](CCCOC(C)C)C2 ZINC001330512071 1334861279 /nfs/dbraw/zinc/86/12/79/1334861279.db2.gz LFWCCUJSUKQACV-UHFFFAOYSA-N 2 2 348.491 2.000 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001330621472 1334878470 /nfs/dbraw/zinc/87/84/70/1334878470.db2.gz JSBZKRLYUQYRJG-JYJNAYRXSA-N 2 2 332.492 2.366 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@@H+]([C@@H]2CCc3ccccc32)CC1 ZINC001333419396 1336042338 /nfs/dbraw/zinc/04/23/38/1336042338.db2.gz IYENZYWDAIIVGX-GOSISDBHSA-N 2 2 336.439 2.388 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1=CC[N@H+]([C@@H]2CCc3ccccc32)CC1 ZINC001333419396 1336042340 /nfs/dbraw/zinc/04/23/40/1336042340.db2.gz IYENZYWDAIIVGX-GOSISDBHSA-N 2 2 336.439 2.388 10 0 EEAELP C[C@H](c1nc(-c2nc[nH]n2)no1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC001616881744 1352333068 /nfs/dbraw/zinc/33/30/68/1352333068.db2.gz XYASZFIBMWEAOV-GFCCVEGCSA-N 2 2 341.419 2.109 10 0 EEAELP 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ZINC000843575568 759866240 /nfs/dbraw/zinc/86/62/40/759866240.db2.gz XKOKPPFDLHJNTK-HOTGVXAUSA-N 2 2 325.472 2.284 10 0 EEAELP CN(C(=O)C1(F)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000843575568 759866242 /nfs/dbraw/zinc/86/62/42/759866242.db2.gz XKOKPPFDLHJNTK-HOTGVXAUSA-N 2 2 325.472 2.284 10 0 EEAELP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000920565461 770765044 /nfs/dbraw/zinc/76/50/44/770765044.db2.gz WXNXDCZRMLWSAY-SFHVURJKSA-N 2 2 326.444 2.465 10 0 EEAELP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Cc1c[nH+]c[nH]1 ZINC000920565461 770765054 /nfs/dbraw/zinc/76/50/54/770765054.db2.gz WXNXDCZRMLWSAY-SFHVURJKSA-N 2 2 326.444 2.465 10 0 EEAELP CC(C)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000906091862 783694387 /nfs/dbraw/zinc/69/43/87/783694387.db2.gz ZLZXYZMKIGCWFJ-OAGGEKHMSA-N 2 2 325.403 2.200 10 0 EEAELP C/C(=C/C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C[NH+]1CCOCC1 ZINC000907288348 784518526 /nfs/dbraw/zinc/51/85/26/784518526.db2.gz ZKQWKRNGTHGKPL-CRKJHWTRSA-N 2 2 349.519 2.034 10 0 EEAELP C/C(=C/C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C[NH+]1CCOCC1 ZINC000907288348 784518531 /nfs/dbraw/zinc/51/85/31/784518531.db2.gz ZKQWKRNGTHGKPL-CRKJHWTRSA-N 2 2 349.519 2.034 10 0 EEAELP C/C(=C\C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C[NH+]1CCOCC1 ZINC000909927060 786342616 /nfs/dbraw/zinc/34/26/16/786342616.db2.gz LLBLFYFOVKCSQW-RVDMUPIBSA-N 2 2 331.460 2.274 10 0 EEAELP COc1cc(Cl)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000822749604 787366425 /nfs/dbraw/zinc/36/64/25/787366425.db2.gz ATRNYSQOZORKSE-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP COc1cc(Cl)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000822749604 787366433 /nfs/dbraw/zinc/36/64/33/787366433.db2.gz ATRNYSQOZORKSE-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C(C)(C)C ZINC000912035288 787904051 /nfs/dbraw/zinc/90/40/51/787904051.db2.gz XRPLEQWRCCUEEF-ZWKOTPCHSA-N 2 2 344.503 2.235 10 0 EEAELP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)C[C@@H]1C(C)(C)C ZINC000912035288 787904059 /nfs/dbraw/zinc/90/40/59/787904059.db2.gz XRPLEQWRCCUEEF-ZWKOTPCHSA-N 2 2 344.503 2.235 10 0 EEAELP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)C[C@@H]1C(C)(C)C ZINC000912035288 787904067 /nfs/dbraw/zinc/90/40/67/787904067.db2.gz XRPLEQWRCCUEEF-ZWKOTPCHSA-N 2 2 344.503 2.235 10 0 EEAELP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)C[C@@H]1C(C)(C)C ZINC000912035288 787904075 /nfs/dbraw/zinc/90/40/75/787904075.db2.gz XRPLEQWRCCUEEF-ZWKOTPCHSA-N 2 2 344.503 2.235 10 0 EEAELP O[C@H](C[NH2+][C@H]1CC[NH2+]C12CCC2)Cc1ccccc1C(F)(F)F ZINC000923397784 789495806 /nfs/dbraw/zinc/49/58/06/789495806.db2.gz DWHFOTOYGLAZNI-ZFWWWQNUSA-N 2 2 328.378 2.483 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@H+]2C)c(C)c1 ZINC000921596974 789839482 /nfs/dbraw/zinc/83/94/82/789839482.db2.gz RCOQOAWBMQVTIS-FUHWJXTLSA-N 2 2 341.459 2.245 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]2CC[N@@H+]2C)c(C)c1 ZINC000921596974 789839488 /nfs/dbraw/zinc/83/94/88/789839488.db2.gz RCOQOAWBMQVTIS-FUHWJXTLSA-N 2 2 341.459 2.245 10 0 EEAELP CN(CCCC[NH+]1CCCCC1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000922326557 800563509 /nfs/dbraw/zinc/56/35/09/800563509.db2.gz PJKKOSFHYKOPHZ-UHFFFAOYSA-N 2 2 332.492 2.486 10 0 EEAELP Cc1c[nH+]c(C2CCOCC2)n1CC1C[NH+](Cc2cn(C)nc2C)C1 ZINC000575548705 801763779 /nfs/dbraw/zinc/76/37/79/801763779.db2.gz COFRNIJKUUPDRX-UHFFFAOYSA-N 2 2 343.475 2.259 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@@H+]1CCCCCF ZINC001566094339 1125557190 /nfs/dbraw/zinc/55/71/90/1125557190.db2.gz JJNJLPCFYCNGTM-PMPSAXMXSA-N 2 2 336.455 2.164 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)CC[N@H+]1CCCCCF ZINC001566094339 1125557193 /nfs/dbraw/zinc/55/71/93/1125557193.db2.gz JJNJLPCFYCNGTM-PMPSAXMXSA-N 2 2 336.455 2.164 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001566101404 1125560088 /nfs/dbraw/zinc/56/00/88/1125560088.db2.gz GLICLCNHJNXZOI-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1ccc(Cl)nc1 ZINC001566101404 1125560091 /nfs/dbraw/zinc/56/00/91/1125560091.db2.gz GLICLCNHJNXZOI-HIFRSBDPSA-N 2 2 338.883 2.156 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@H+](Cc2ccns2)[C@@H]1C ZINC001436483763 1087972861 /nfs/dbraw/zinc/97/28/61/1087972861.db2.gz MUHLJXVGQJISST-CJNGLKHVSA-N 2 2 347.488 2.207 10 0 EEAELP Cc1[nH+]ccn1CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccns2)[C@@H]1C ZINC001436483763 1087972873 /nfs/dbraw/zinc/97/28/73/1087972873.db2.gz MUHLJXVGQJISST-CJNGLKHVSA-N 2 2 347.488 2.207 10 0 EEAELP CC(C)OCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001436996197 1088730982 /nfs/dbraw/zinc/73/09/82/1088730982.db2.gz LULDIYNSATXSHR-SJORKVTESA-N 2 2 336.480 2.087 10 0 EEAELP CC(C)OCC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001436996197 1088730999 /nfs/dbraw/zinc/73/09/99/1088730999.db2.gz LULDIYNSATXSHR-SJORKVTESA-N 2 2 336.480 2.087 10 0 EEAELP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001437613362 1090120939 /nfs/dbraw/zinc/12/09/39/1090120939.db2.gz BHLYDFZBRJBPNA-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[N@@H+](CC)CCNC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC001437613362 1090120944 /nfs/dbraw/zinc/12/09/44/1090120944.db2.gz BHLYDFZBRJBPNA-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[NH+](CC)CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001437613362 1090120951 /nfs/dbraw/zinc/12/09/51/1090120951.db2.gz BHLYDFZBRJBPNA-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[NH+](CC)CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001437613362 1090120954 /nfs/dbraw/zinc/12/09/54/1090120954.db2.gz BHLYDFZBRJBPNA-AEFFLSMTSA-N 2 2 339.524 2.114 10 0 EEAELP C[C@H]([NH2+]CCc1cccs1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001437859895 1090440052 /nfs/dbraw/zinc/44/00/52/1090440052.db2.gz XTDCWDRCCTZFQY-HNNXBMFYSA-N 2 2 346.500 2.404 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccon2)C1)[NH+](CC)CC ZINC001438263567 1090745566 /nfs/dbraw/zinc/74/55/66/1090745566.db2.gz GWFNMZPXHDEOCN-IAGOWNOFSA-N 2 2 336.480 2.218 10 0 EEAELP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccon2)C1)[NH+](CC)CC ZINC001438263567 1090745569 /nfs/dbraw/zinc/74/55/69/1090745569.db2.gz GWFNMZPXHDEOCN-IAGOWNOFSA-N 2 2 336.480 2.218 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@H+](Cc2cc(C)no2)C1 ZINC001438265873 1090747714 /nfs/dbraw/zinc/74/77/14/1090747714.db2.gz LCYNLDSGECIROB-CVEARBPZSA-N 2 2 345.447 2.254 10 0 EEAELP CCN(C(=O)C[C@@H](C)n1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC001438265873 1090747716 /nfs/dbraw/zinc/74/77/16/1090747716.db2.gz LCYNLDSGECIROB-CVEARBPZSA-N 2 2 345.447 2.254 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001438368202 1090844981 /nfs/dbraw/zinc/84/49/81/1090844981.db2.gz LUZPPTSVZUWSAF-GUYCJALGSA-N 2 2 348.397 2.333 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001438550699 1091043780 /nfs/dbraw/zinc/04/37/80/1091043780.db2.gz KDMAVWSSFOMHDF-IAGOWNOFSA-N 2 2 340.471 2.030 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001445750315 1091585513 /nfs/dbraw/zinc/58/55/13/1091585513.db2.gz FDXKNIOQGFRRNJ-GFCCVEGCSA-N 2 2 336.386 2.106 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001445750315 1091585519 /nfs/dbraw/zinc/58/55/19/1091585519.db2.gz FDXKNIOQGFRRNJ-GFCCVEGCSA-N 2 2 336.386 2.106 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]C[C@@H]3CC(C)(C)CO3)ccn12 ZINC001439216603 1091860515 /nfs/dbraw/zinc/86/05/15/1091860515.db2.gz RZKOVTXBDGIQJO-BBRMVZONSA-N 2 2 344.459 2.166 10 0 EEAELP C[C@@H](C[NH2+][C@H]1CCc2c1cc(F)cc2F)NC(=O)CCn1cc[nH+]c1 ZINC001439234345 1091880788 /nfs/dbraw/zinc/88/07/88/1091880788.db2.gz DPBCISZIKWXSDE-SJCJKPOMSA-N 2 2 348.397 2.333 10 0 EEAELP CO[C@H](C[N@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001439339372 1092040322 /nfs/dbraw/zinc/04/03/22/1092040322.db2.gz JLDUNQQIEADDHP-FZKQIMNGSA-N 2 2 344.459 2.428 10 0 EEAELP CO[C@H](C[N@@H+](C)C[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001439339372 1092040329 /nfs/dbraw/zinc/04/03/29/1092040329.db2.gz JLDUNQQIEADDHP-FZKQIMNGSA-N 2 2 344.459 2.428 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1 ZINC001439381842 1092125423 /nfs/dbraw/zinc/12/54/23/1092125423.db2.gz MBFZJDCQSNTMSI-KGLIPLIRSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC001439381842 1092125426 /nfs/dbraw/zinc/12/54/26/1092125426.db2.gz MBFZJDCQSNTMSI-KGLIPLIRSA-N 2 2 332.423 2.364 10 0 EEAELP Cc1cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)on1 ZINC001439403137 1092161303 /nfs/dbraw/zinc/16/13/03/1092161303.db2.gz FJPJMUMFHLYUCU-QAPCUYQASA-N 2 2 344.459 2.222 10 0 EEAELP Cc1cc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)on1 ZINC001439403137 1092161307 /nfs/dbraw/zinc/16/13/07/1092161307.db2.gz FJPJMUMFHLYUCU-QAPCUYQASA-N 2 2 344.459 2.222 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC1([NH2+]Cc2cc(F)ccc2Cl)CC1 ZINC001446289916 1092446677 /nfs/dbraw/zinc/44/66/77/1092446677.db2.gz NKSLAMIMALPJEC-UHFFFAOYSA-N 2 2 336.798 2.114 10 0 EEAELP COCC[N@H+](CC1CCCC1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001446307751 1092485288 /nfs/dbraw/zinc/48/52/88/1092485288.db2.gz OTKGLTCQLNIWBI-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP COCC[N@@H+](CC1CCCC1)C1CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001446307751 1092485294 /nfs/dbraw/zinc/48/52/94/1092485294.db2.gz OTKGLTCQLNIWBI-UHFFFAOYSA-N 2 2 348.491 2.082 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001446335633 1092544209 /nfs/dbraw/zinc/54/42/09/1092544209.db2.gz GNCYLPHLIGAUJM-LJQANCHMSA-N 2 2 348.491 2.037 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)C1 ZINC001446335633 1092544218 /nfs/dbraw/zinc/54/42/18/1092544218.db2.gz GNCYLPHLIGAUJM-LJQANCHMSA-N 2 2 348.491 2.037 10 0 EEAELP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001439975768 1093093299 /nfs/dbraw/zinc/09/32/99/1093093299.db2.gz RXAXXYNCHXPMSV-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP CC[C@@H](C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001439975768 1093093306 /nfs/dbraw/zinc/09/33/06/1093093306.db2.gz RXAXXYNCHXPMSV-OLZOCXBDSA-N 2 2 328.407 2.072 10 0 EEAELP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCO1 ZINC001448461813 1093472254 /nfs/dbraw/zinc/47/22/54/1093472254.db2.gz HGOJSDVBYPPHAP-NVXWUHKLSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)C1 ZINC001440360353 1093522045 /nfs/dbraw/zinc/52/20/45/1093522045.db2.gz DYKRRPULDBPFQE-DEYYWGMASA-N 2 2 342.418 2.194 10 0 EEAELP CC(C)[C@@H](CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CCC1 ZINC001448557441 1093602520 /nfs/dbraw/zinc/60/25/20/1093602520.db2.gz GRMGCYIGBZCHLR-SJLPKXTDSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1F ZINC001448676887 1093744165 /nfs/dbraw/zinc/74/41/65/1093744165.db2.gz AFYBZXQURPTBSL-HUUCEWRRSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1nc(C[NH2+]CC2CC(NC(=O)C[C@H](C)n3cc[nH+]c3)C2)cs1 ZINC001440758252 1094001249 /nfs/dbraw/zinc/00/12/49/1094001249.db2.gz CRADFPQRWYWLSM-GRTSSRMGSA-N 2 2 347.488 2.284 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@@H]2C)c(C)o1 ZINC001449024202 1094030231 /nfs/dbraw/zinc/03/02/31/1094030231.db2.gz RIZHNSKFGIKTHD-GUYCJALGSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@@H]2C)c(C)o1 ZINC001449024202 1094030234 /nfs/dbraw/zinc/03/02/34/1094030234.db2.gz RIZHNSKFGIKTHD-GUYCJALGSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@@H]2C)c(C)o1 ZINC001449024202 1094030236 /nfs/dbraw/zinc/03/02/36/1094030236.db2.gz RIZHNSKFGIKTHD-GUYCJALGSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1nc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C3CCC3)[C@@H]2C)c(C)o1 ZINC001449024202 1094030240 /nfs/dbraw/zinc/03/02/40/1094030240.db2.gz RIZHNSKFGIKTHD-GUYCJALGSA-N 2 2 348.491 2.245 10 0 EEAELP Cc1cncc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn2cc[nH+]c2)c1 ZINC001440845200 1094102740 /nfs/dbraw/zinc/10/27/40/1094102740.db2.gz BTLSIQVGJGFSKG-HOTGVXAUSA-N 2 2 329.448 2.050 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001441031774 1094323615 /nfs/dbraw/zinc/32/36/15/1094323615.db2.gz ZSJCZVIGEHDXRQ-UONOGXRCSA-N 2 2 328.407 2.145 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[N@@H+](C)C[C@@H]1CCCC(F)(F)C1 ZINC001441031774 1094323622 /nfs/dbraw/zinc/32/36/22/1094323622.db2.gz ZSJCZVIGEHDXRQ-UONOGXRCSA-N 2 2 328.407 2.145 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC001441141250 1094476153 /nfs/dbraw/zinc/47/61/53/1094476153.db2.gz VMGOEEADICUMBZ-QZTJIDSGSA-N 2 2 348.491 2.203 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCCC[N@H+]1CC[C@H]1CCCCO1 ZINC001441141250 1094476157 /nfs/dbraw/zinc/47/61/57/1094476157.db2.gz VMGOEEADICUMBZ-QZTJIDSGSA-N 2 2 348.491 2.203 10 0 EEAELP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]CCc2ccccc2F)C1)n1cc[nH+]c1 ZINC001441527645 1095234384 /nfs/dbraw/zinc/23/43/84/1095234384.db2.gz MPNKMKMDWUDGLU-OIISXLGYSA-N 2 2 344.434 2.453 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001441593279 1095427839 /nfs/dbraw/zinc/42/78/39/1095427839.db2.gz MWBVQOZAFYOXMW-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001441593279 1095427842 /nfs/dbraw/zinc/42/78/42/1095427842.db2.gz MWBVQOZAFYOXMW-GJZGRUSLSA-N 2 2 344.459 2.234 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001441611113 1095470649 /nfs/dbraw/zinc/47/06/49/1095470649.db2.gz ASVNBXZQAMHGPO-CHDKLRHSSA-N 2 2 331.247 2.030 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001441637621 1095546066 /nfs/dbraw/zinc/54/60/66/1095546066.db2.gz ISPSOXLJJPJIJC-CYBMUJFWSA-N 2 2 349.504 2.274 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(CF)cc1 ZINC001441861663 1095961037 /nfs/dbraw/zinc/96/10/37/1095961037.db2.gz UHSZHLIIZGLBKB-WMLDXEAASA-N 2 2 344.434 2.210 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001442018469 1096225495 /nfs/dbraw/zinc/22/54/95/1096225495.db2.gz MKSXOXYBFKHKKD-ZDUSSCGKSA-N 2 2 326.444 2.433 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]C/C=C\c1ccc(Cl)cc1 ZINC001442072913 1096288176 /nfs/dbraw/zinc/28/81/76/1096288176.db2.gz QSIBQUGIFWTSGW-SFAKSCPVSA-N 2 2 332.835 2.344 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001442272333 1096578657 /nfs/dbraw/zinc/57/86/57/1096578657.db2.gz IEEPOYZEQVIWOI-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@H](c1cccc(F)c1)[N@@H+](CCNC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001443070806 1097482036 /nfs/dbraw/zinc/48/20/36/1097482036.db2.gz ZVXFLRDANOAYNL-CQSZACIVSA-N 2 2 330.407 2.364 10 0 EEAELP O=C(c1cnn(-c2cc[nH+]cc2)c1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC001451465259 1097649926 /nfs/dbraw/zinc/64/99/26/1097649926.db2.gz BBFINRDIFQAFOM-SFHVURJKSA-N 2 2 333.395 2.054 10 0 EEAELP CC[C@H](CNC(=O)Cn1c[nH+]cc1C)[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001443956354 1098475868 /nfs/dbraw/zinc/47/58/68/1098475868.db2.gz JYRKHHUBMUUJJO-CQSZACIVSA-N 2 2 347.463 2.162 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]CC[C@@H]1CCCC1(F)F ZINC001444022945 1098540210 /nfs/dbraw/zinc/54/02/10/1098540210.db2.gz RVMOZFDDSRFYIC-STQMWFEESA-N 2 2 328.407 2.262 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675203 1098725482 /nfs/dbraw/zinc/72/54/82/1098725482.db2.gz HYYZIPKKROSQFQ-KKSLTYSGSA-N 2 2 330.476 2.410 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001479675203 1098725492 /nfs/dbraw/zinc/72/54/92/1098725492.db2.gz HYYZIPKKROSQFQ-KKSLTYSGSA-N 2 2 330.476 2.410 10 0 EEAELP COCCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001479692712 1098758015 /nfs/dbraw/zinc/75/80/15/1098758015.db2.gz PQQNAODWJZTGBJ-SJORKVTESA-N 2 2 336.480 2.232 10 0 EEAELP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001479735391 1098842000 /nfs/dbraw/zinc/84/20/00/1098842000.db2.gz QZZOUYYKAAMTFJ-KRWDZBQOSA-N 2 2 332.492 2.485 10 0 EEAELP CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001479735391 1098842008 /nfs/dbraw/zinc/84/20/08/1098842008.db2.gz QZZOUYYKAAMTFJ-KRWDZBQOSA-N 2 2 332.492 2.485 10 0 EEAELP C[N@H+](CCc1ccccc1)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001479741035 1098861508 /nfs/dbraw/zinc/86/15/08/1098861508.db2.gz WYLBPVNSCWIIKS-IBGZPJMESA-N 2 2 340.471 2.439 10 0 EEAELP C[N@@H+](CCc1ccccc1)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001479741035 1098861526 /nfs/dbraw/zinc/86/15/26/1098861526.db2.gz WYLBPVNSCWIIKS-IBGZPJMESA-N 2 2 340.471 2.439 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCCC1CCC1 ZINC001479781346 1098970089 /nfs/dbraw/zinc/97/00/89/1098970089.db2.gz VOCBLRXATUABQJ-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)CCCC1CCC1 ZINC001479781346 1098970093 /nfs/dbraw/zinc/97/00/93/1098970093.db2.gz VOCBLRXATUABQJ-KRWDZBQOSA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)OCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001479833650 1099115774 /nfs/dbraw/zinc/11/57/74/1099115774.db2.gz ZOKWNXUBYHGRKO-IRXDYDNUSA-N 2 2 336.480 2.057 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC001444635509 1099463257 /nfs/dbraw/zinc/46/32/57/1099463257.db2.gz KAOGQIAKXNRNQP-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]Cc2cscn2)c[nH+]1 ZINC001444650628 1099481530 /nfs/dbraw/zinc/48/15/30/1099481530.db2.gz YPQTXCKIVDQGSK-CYBMUJFWSA-N 2 2 335.477 2.020 10 0 EEAELP O=C(NC[C@H]([NH2+]CCc1ccccc1)C1CC1)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001480026290 1099510179 /nfs/dbraw/zinc/51/01/79/1099510179.db2.gz DGMNFISDZKYAGE-KURKYZTESA-N 2 2 338.455 2.240 10 0 EEAELP O=C(NC[C@H]([NH2+]CCc1ccccc1)C1CC1)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001480026290 1099510189 /nfs/dbraw/zinc/51/01/89/1099510189.db2.gz DGMNFISDZKYAGE-KURKYZTESA-N 2 2 338.455 2.240 10 0 EEAELP CC(C)COCC[NH2+][C@H]1C[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001480146726 1099714196 /nfs/dbraw/zinc/71/41/96/1099714196.db2.gz DMBZXLIRVRHVFC-SHTZXODSSA-N 2 2 330.432 2.086 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001480227458 1099848323 /nfs/dbraw/zinc/84/83/23/1099848323.db2.gz HZKYNJABCPZYLZ-KNXALSJPSA-N 2 2 348.397 2.304 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001480227458 1099848332 /nfs/dbraw/zinc/84/83/32/1099848332.db2.gz HZKYNJABCPZYLZ-KNXALSJPSA-N 2 2 348.397 2.304 10 0 EEAELP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001480286067 1099993995 /nfs/dbraw/zinc/99/39/95/1099993995.db2.gz FOKNZCHCSHWDLE-IAGOWNOFSA-N 2 2 332.492 2.320 10 0 EEAELP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)CCc1[nH+]ccn1C ZINC001445013272 1100163184 /nfs/dbraw/zinc/16/31/84/1100163184.db2.gz JPVGFWDNIFCMLX-GOSISDBHSA-N 2 2 340.471 2.430 10 0 EEAELP CN(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C(=O)CCc1[nH+]ccn1C ZINC001445013272 1100163189 /nfs/dbraw/zinc/16/31/89/1100163189.db2.gz JPVGFWDNIFCMLX-GOSISDBHSA-N 2 2 340.471 2.430 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1ccc(Cl)cc1 ZINC001480488979 1100298783 /nfs/dbraw/zinc/29/87/83/1100298783.db2.gz CKPFYVZEYKTQAF-UKRRQHHQSA-N 2 2 346.862 2.393 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1c(F)cccc1F ZINC001480489995 1100300297 /nfs/dbraw/zinc/30/02/97/1100300297.db2.gz LUQLUZDQBNIKMP-QWHCGFSZSA-N 2 2 348.397 2.018 10 0 EEAELP CC(C)OCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001445133115 1100386600 /nfs/dbraw/zinc/38/66/00/1100386600.db2.gz NVEBHQAPCCZNDK-CVEARBPZSA-N 2 2 348.491 2.035 10 0 EEAELP CC(C)OCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)c3c[nH+]c[nH]3)CC[C@@H]21 ZINC001445133115 1100386603 /nfs/dbraw/zinc/38/66/03/1100386603.db2.gz NVEBHQAPCCZNDK-CVEARBPZSA-N 2 2 348.491 2.035 10 0 EEAELP CC[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001495119679 1100778152 /nfs/dbraw/zinc/77/81/52/1100778152.db2.gz ZXPZXTIRNVQPNO-DOTOQJQBSA-N 2 2 330.407 2.194 10 0 EEAELP CCC[N@H+](C)CC(=O)N(C)C1C[NH+](CCc2ccccc2CC)C1 ZINC001446400976 1100796327 /nfs/dbraw/zinc/79/63/27/1100796327.db2.gz VQXIKANULWWCFQ-UHFFFAOYSA-N 2 2 331.504 2.276 10 0 EEAELP CCC[N@@H+](C)CC(=O)N(C)C1C[NH+](CCc2ccccc2CC)C1 ZINC001446400976 1100796336 /nfs/dbraw/zinc/79/63/36/1100796336.db2.gz VQXIKANULWWCFQ-UHFFFAOYSA-N 2 2 331.504 2.276 10 0 EEAELP Cc1conc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1CCCC1 ZINC001446489153 1100927115 /nfs/dbraw/zinc/92/71/15/1100927115.db2.gz KTRKDWZZMYABNT-QZTJIDSGSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1conc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001446489153 1100927121 /nfs/dbraw/zinc/92/71/21/1100927121.db2.gz KTRKDWZZMYABNT-QZTJIDSGSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1conc1C[NH2+]C[C@@H](C)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001495665639 1101405932 /nfs/dbraw/zinc/40/59/32/1101405932.db2.gz KXWUNMOWENFBLD-GFCCVEGCSA-N 2 2 341.415 2.095 10 0 EEAELP C[C@H]([NH2+]C/C(Cl)=C\Cl)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001446946760 1101637910 /nfs/dbraw/zinc/63/79/10/1101637910.db2.gz QBCOLRAPLULDFW-LOTJYQEQSA-N 2 2 331.247 2.029 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001447045001 1101848973 /nfs/dbraw/zinc/84/89/73/1101848973.db2.gz RYFPFGZWWAMBTN-QZTJIDSGSA-N 2 2 332.492 2.464 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)Cc1c[nH+]cn1C ZINC001447045001 1101848990 /nfs/dbraw/zinc/84/89/90/1101848990.db2.gz RYFPFGZWWAMBTN-QZTJIDSGSA-N 2 2 332.492 2.464 10 0 EEAELP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001496091189 1102040453 /nfs/dbraw/zinc/04/04/53/1102040453.db2.gz AXSWJVUSDOBXLT-HOCLYGCPSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)o1 ZINC001496171239 1102167494 /nfs/dbraw/zinc/16/74/94/1102167494.db2.gz KJFYPUUDWAODFY-STQMWFEESA-N 2 2 333.436 2.076 10 0 EEAELP CCC1([NH2+]Cc2cc(C)ns2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001447421555 1102623782 /nfs/dbraw/zinc/62/37/82/1102623782.db2.gz FBMGMUAIORSPKA-UHFFFAOYSA-N 2 2 347.488 2.278 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C/C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001497643515 1102803289 /nfs/dbraw/zinc/80/32/89/1102803289.db2.gz AKDLWWGJAHLRDX-YLSAJCSVSA-N 2 2 340.418 2.361 10 0 EEAELP CC(C)[N@@H+](CC=C(Cl)Cl)CCCNC(=O)Cn1cc[nH+]c1 ZINC001493877632 1103018595 /nfs/dbraw/zinc/01/85/95/1103018595.db2.gz ADNSOKRUDBIYSF-UHFFFAOYSA-N 2 2 333.263 2.419 10 0 EEAELP CC(C)[N@H+](CC=C(Cl)Cl)CCCNC(=O)Cn1cc[nH+]c1 ZINC001493877632 1103018610 /nfs/dbraw/zinc/01/86/10/1103018610.db2.gz ADNSOKRUDBIYSF-UHFFFAOYSA-N 2 2 333.263 2.419 10 0 EEAELP Cc1nsc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1c[nH+]c[nH]1 ZINC001447863124 1103470676 /nfs/dbraw/zinc/47/06/76/1103470676.db2.gz YUMHYEUHTADHQM-WDEREUQCSA-N 2 2 335.477 2.099 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH+](C)CC1CCCC1 ZINC001448047472 1103891287 /nfs/dbraw/zinc/89/12/87/1103891287.db2.gz ZYYOUQOCEZKWSJ-KBXCAEBGSA-N 2 2 347.507 2.417 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1)[NH+](C)CC1CCCC1 ZINC001448047472 1103891299 /nfs/dbraw/zinc/89/12/99/1103891299.db2.gz ZYYOUQOCEZKWSJ-KBXCAEBGSA-N 2 2 347.507 2.417 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)[N@H+](C)CC1CCCC1 ZINC001448047472 1103891313 /nfs/dbraw/zinc/89/13/13/1103891313.db2.gz ZYYOUQOCEZKWSJ-KBXCAEBGSA-N 2 2 347.507 2.417 10 0 EEAELP C[C@@H](CNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1)[N@@H+](C)CC1CCCC1 ZINC001448047472 1103891326 /nfs/dbraw/zinc/89/13/26/1103891326.db2.gz ZYYOUQOCEZKWSJ-KBXCAEBGSA-N 2 2 347.507 2.417 10 0 EEAELP Cc1ccc(C)c([C@@H](C)[NH+]2CC(CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001494599738 1104187233 /nfs/dbraw/zinc/18/72/33/1104187233.db2.gz JNKFDOSWJFEFMB-OAHLLOKOSA-N 2 2 326.444 2.378 10 0 EEAELP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001494834315 1104431152 /nfs/dbraw/zinc/43/11/52/1104431152.db2.gz MBEGHVARMLZNSV-AWEZNQCLSA-N 2 2 340.443 2.022 10 0 EEAELP CN(C(=O)c1cc(C[NH+](C)C)on1)[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001494834315 1104431155 /nfs/dbraw/zinc/43/11/55/1104431155.db2.gz MBEGHVARMLZNSV-AWEZNQCLSA-N 2 2 340.443 2.022 10 0 EEAELP C[C@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001448343821 1104433122 /nfs/dbraw/zinc/43/31/22/1104433122.db2.gz XKAPODMTWQTJPE-AWEZNQCLSA-N 2 2 338.455 2.466 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CC=C(Cl)Cl ZINC001495013001 1104655413 /nfs/dbraw/zinc/65/54/13/1104655413.db2.gz PTBFAFWFMFQUQR-VXGBXAGGSA-N 2 2 345.274 2.249 10 0 EEAELP C[C@@H](C[NH2+]Cc1cc(F)ccc1F)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001498062026 1106866421 /nfs/dbraw/zinc/86/64/21/1106866421.db2.gz VYBKIAKRNCFSAT-STQMWFEESA-N 2 2 348.397 2.018 10 0 EEAELP COCCCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480736199 1107009707 /nfs/dbraw/zinc/00/97/07/1107009707.db2.gz NPXJQXABOIQSEB-SJORKVTESA-N 2 2 336.480 2.184 10 0 EEAELP COCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001480736199 1107009721 /nfs/dbraw/zinc/00/97/21/1107009721.db2.gz NPXJQXABOIQSEB-SJORKVTESA-N 2 2 336.480 2.184 10 0 EEAELP O=C(NCCC[C@H]1CCC[N@H+]1CCCF)[C@H]1CCn2cc[nH+]c2C1 ZINC001480824284 1107198002 /nfs/dbraw/zinc/19/80/02/1107198002.db2.gz PPDBVEFTOSEEIV-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP O=C(NCCC[C@H]1CCC[N@@H+]1CCCF)[C@H]1CCn2cc[nH+]c2C1 ZINC001480824284 1107198009 /nfs/dbraw/zinc/19/80/09/1107198009.db2.gz PPDBVEFTOSEEIV-HOTGVXAUSA-N 2 2 336.455 2.166 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)c(C)s1 ZINC001498381276 1107423999 /nfs/dbraw/zinc/42/39/99/1107423999.db2.gz NQYTZNUMMRKPBN-QWHCGFSZSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)c(C)s1 ZINC001498381276 1107424008 /nfs/dbraw/zinc/42/40/08/1107424008.db2.gz NQYTZNUMMRKPBN-QWHCGFSZSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)s1 ZINC001498381276 1107424017 /nfs/dbraw/zinc/42/40/17/1107424017.db2.gz NQYTZNUMMRKPBN-QWHCGFSZSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)c(C)s1 ZINC001498381276 1107424021 /nfs/dbraw/zinc/42/40/21/1107424021.db2.gz NQYTZNUMMRKPBN-QWHCGFSZSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)c(C)n1 ZINC001498621918 1107829415 /nfs/dbraw/zinc/82/94/15/1107829415.db2.gz ZPEXEHNUMKKSLW-INIZCTEOSA-N 2 2 343.475 2.484 10 0 EEAELP COc1cccc(C[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c1 ZINC001498641696 1107872611 /nfs/dbraw/zinc/87/26/11/1107872611.db2.gz MIKDPBIBQYDKCY-UHFFFAOYSA-N 2 2 344.459 2.334 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@@H](NC(=O)Cc2c[nH+]cn2C)C2CC2)c1 ZINC001498848485 1108218208 /nfs/dbraw/zinc/21/82/08/1108218208.db2.gz DYPMJBXJOSZNIY-GOSISDBHSA-N 2 2 344.434 2.095 10 0 EEAELP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CC[C@@H](C)F ZINC001493865237 1108757202 /nfs/dbraw/zinc/75/72/02/1108757202.db2.gz RXYRUNAZHBOJJI-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)CC[C@@H](C)F ZINC001493865237 1108757213 /nfs/dbraw/zinc/75/72/13/1108757213.db2.gz RXYRUNAZHBOJJI-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP CC[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232675 1109117912 /nfs/dbraw/zinc/11/79/12/1109117912.db2.gz VLZFXNQZWOIVIJ-YJBOKZPZSA-N 2 2 329.488 2.280 10 0 EEAELP CC[N@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232675 1109117915 /nfs/dbraw/zinc/11/79/15/1109117915.db2.gz VLZFXNQZWOIVIJ-YJBOKZPZSA-N 2 2 329.488 2.280 10 0 EEAELP CC[NH+]1C[C@H](NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232675 1109117917 /nfs/dbraw/zinc/11/79/17/1109117917.db2.gz VLZFXNQZWOIVIJ-YJBOKZPZSA-N 2 2 329.488 2.280 10 0 EEAELP CC[NH+]1C[C@H](NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C(C)(C)C1 ZINC001456232675 1109117921 /nfs/dbraw/zinc/11/79/21/1109117921.db2.gz VLZFXNQZWOIVIJ-YJBOKZPZSA-N 2 2 329.488 2.280 10 0 EEAELP CC[N@@H+]1CC[C@@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001463660319 1110378405 /nfs/dbraw/zinc/37/84/05/1110378405.db2.gz OLZVGBMOIQKERQ-MOPGFXCFSA-N 2 2 345.487 2.433 10 0 EEAELP CC[N@H+]1CC[C@@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001463660319 1110378406 /nfs/dbraw/zinc/37/84/06/1110378406.db2.gz OLZVGBMOIQKERQ-MOPGFXCFSA-N 2 2 345.487 2.433 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001479298778 1110677679 /nfs/dbraw/zinc/67/76/79/1110677679.db2.gz QJEASRUTXYGLGD-BSXFFOKHSA-N 2 2 347.507 2.321 10 0 EEAELP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001479298778 1110677680 /nfs/dbraw/zinc/67/76/80/1110677680.db2.gz QJEASRUTXYGLGD-BSXFFOKHSA-N 2 2 347.507 2.321 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001499420140 1112277973 /nfs/dbraw/zinc/27/79/73/1112277973.db2.gz BFSXBNDXEMMNBO-UITAMQMPSA-N 2 2 338.455 2.305 10 0 EEAELP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C)CC[NH+](Cc2ccon2)CC1 ZINC001499985310 1112566292 /nfs/dbraw/zinc/56/62/92/1112566292.db2.gz OIGBMLLBZSMQFE-MRXNPFEDSA-N 2 2 334.464 2.020 10 0 EEAELP C[N@H+]1CCC[C@@H]1CCC(=O)NC1(C)CC[NH+](Cc2ccon2)CC1 ZINC001499985310 1112566295 /nfs/dbraw/zinc/56/62/95/1112566295.db2.gz OIGBMLLBZSMQFE-MRXNPFEDSA-N 2 2 334.464 2.020 10 0 EEAELP CC1(CNC(=O)Cn2cc[nH+]c2)CC[NH+](Cc2ccccc2)CC1 ZINC001500465943 1112853673 /nfs/dbraw/zinc/85/36/73/1112853673.db2.gz MWZBIVZSUMEZPU-UHFFFAOYSA-N 2 2 326.444 2.302 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC001501892603 1113512578 /nfs/dbraw/zinc/51/25/78/1113512578.db2.gz LTHXEJZCAQUNTN-MRXNPFEDSA-N 2 2 342.443 2.002 10 0 EEAELP C[N@@H+](Cc1cncs1)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001505469819 1114006226 /nfs/dbraw/zinc/00/62/26/1114006226.db2.gz WCEQIJDERJZDOL-OAHLLOKOSA-N 2 2 347.488 2.243 10 0 EEAELP C[N@H+](Cc1cncs1)C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001505469819 1114006228 /nfs/dbraw/zinc/00/62/28/1114006228.db2.gz WCEQIJDERJZDOL-OAHLLOKOSA-N 2 2 347.488 2.243 10 0 EEAELP CC(C)c1cnc(C[NH2+]CC2CC(NC(=O)CCn3cc[nH+]c3)C2)o1 ZINC001505510778 1114029734 /nfs/dbraw/zinc/02/97/34/1114029734.db2.gz RSFYHDCHOONQQB-UHFFFAOYSA-N 2 2 345.447 2.069 10 0 EEAELP C[C@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cccc(N(C)C)c1 ZINC001505663345 1114116709 /nfs/dbraw/zinc/11/67/09/1114116709.db2.gz DBLHZTGJYXGNPO-HOTGVXAUSA-N 2 2 343.475 2.022 10 0 EEAELP CN(C(=O)Cn1cc[nH+]c1)C1CC([NH2+]CCCCC2CCOCC2)C1 ZINC001508158902 1115430594 /nfs/dbraw/zinc/43/05/94/1115430594.db2.gz YAYQHVDAQHBZGK-UHFFFAOYSA-N 2 2 348.491 2.059 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C(=O)CCc1c[nH]c[nH+]1 ZINC001568277339 1124399601 /nfs/dbraw/zinc/39/96/01/1124399601.db2.gz WDVPLSMWYOQDQC-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CC1(Cl)Cl)N(C)C(=O)CCc1c[nH+]c[nH]1 ZINC001568277339 1124399607 /nfs/dbraw/zinc/39/96/07/1124399607.db2.gz WDVPLSMWYOQDQC-VXGBXAGGSA-N 2 2 347.290 2.363 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1 ZINC001568890081 1124917133 /nfs/dbraw/zinc/91/71/33/1124917133.db2.gz INDRFTTUPQBYRX-IHWYPQMZSA-N 2 2 330.476 2.195 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+]CC1CCC(F)(F)CC1 ZINC001568953556 1124988671 /nfs/dbraw/zinc/98/86/71/1124988671.db2.gz FFBNKHNDWQMQKF-NSCUHMNNSA-N 2 2 340.418 2.348 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000050802260 214070937 /nfs/dbraw/zinc/07/09/37/214070937.db2.gz VOKSIPCZLMCHJY-OAHLLOKOSA-N 2 2 348.318 2.245 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)c1nnnn1-c1ccccc1 ZINC000178335589 232139511 /nfs/dbraw/zinc/13/95/11/232139511.db2.gz HWKXRSDQTIUAFQ-YOEHRIQHSA-N 2 2 337.431 2.393 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1nnnn1-c1ccccc1 ZINC000178335589 232139512 /nfs/dbraw/zinc/13/95/12/232139512.db2.gz HWKXRSDQTIUAFQ-YOEHRIQHSA-N 2 2 337.431 2.393 10 0 EEAELP COc1cccc(CN2CC[NH+](CCC[NH3+])CC2)c1OCC(C)C ZINC000066143186 215016568 /nfs/dbraw/zinc/01/65/68/215016568.db2.gz FSDQVBJYSRIELB-UHFFFAOYSA-N 2 2 335.492 2.196 10 0 EEAELP COc1cccc(C[NH+]2CCN(CCC[NH3+])CC2)c1OCC(C)C ZINC000066143186 215016571 /nfs/dbraw/zinc/01/65/71/215016571.db2.gz FSDQVBJYSRIELB-UHFFFAOYSA-N 2 2 335.492 2.196 10 0 EEAELP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000182237710 539589531 /nfs/dbraw/zinc/58/95/31/539589531.db2.gz XLHCALKATRTSCT-HNNXBMFYSA-N 2 2 326.868 2.414 10 0 EEAELP Cc1cc(Oc2nc[nH+]c(NN3CC[NH+](C)CC3)c2N)ccc1Cl ZINC000040756999 213383050 /nfs/dbraw/zinc/38/30/50/213383050.db2.gz VAESVJKVCHCGLR-UHFFFAOYSA-N 2 2 348.838 2.387 10 0 EEAELP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](CCO)C2)cc1Br ZINC000384374378 539939292 /nfs/dbraw/zinc/93/92/92/539939292.db2.gz JIAQJVOOGBLIJX-CQSZACIVSA-N 2 2 327.266 2.304 10 0 EEAELP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](CCO)C2)cc1Br ZINC000384374378 539939296 /nfs/dbraw/zinc/93/92/96/539939296.db2.gz JIAQJVOOGBLIJX-CQSZACIVSA-N 2 2 327.266 2.304 10 0 EEAELP COc1cccc(N2CCC[C@H]([NH2+][C@H](C)C[C@H]3COCC[NH2+]3)C2)c1 ZINC000422772946 240217748 /nfs/dbraw/zinc/21/77/48/240217748.db2.gz ZVTXGGIAHUQROU-IKGGRYGDSA-N 2 2 333.476 2.021 10 0 EEAELP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422815701 240242172 /nfs/dbraw/zinc/24/21/72/240242172.db2.gz YCMOHCANKPBIAJ-KRWDZBQOSA-N 3 2 339.487 2.357 10 0 EEAELP c1cnc2c(c1)cccc2OCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422952602 240306278 /nfs/dbraw/zinc/30/62/78/240306278.db2.gz BNFAMFGPHBDMDC-AZUAARDMSA-N 2 2 341.455 2.360 10 0 EEAELP C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422879369 240272627 /nfs/dbraw/zinc/27/26/27/240272627.db2.gz KHNHKVALXUNXQI-XLMAVXFVSA-N 2 2 332.492 2.315 10 0 EEAELP FC(F)(F)Oc1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422897382 240280571 /nfs/dbraw/zinc/28/05/71/240280571.db2.gz ZTTVXCAGRKSBDS-HOTGVXAUSA-N 2 2 344.377 2.484 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000423023311 240332794 /nfs/dbraw/zinc/33/27/94/240332794.db2.gz JMGIBLDRRZKPDE-AQNCSGRASA-N 2 2 339.430 2.067 10 0 EEAELP CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000425339985 241130519 /nfs/dbraw/zinc/13/05/19/241130519.db2.gz DHTSWACYNSBBHE-MSOLQXFVSA-N 2 2 336.501 2.381 10 0 EEAELP CN(Cc1[nH]cc[nH+]1)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000426398872 241277048 /nfs/dbraw/zinc/27/70/48/241277048.db2.gz ZITRSVZTUHCDII-UHFFFAOYSA-N 2 2 332.314 2.200 10 0 EEAELP Cn1c[nH+]c(CC[NH2+]Cc2cn(-c3ccc(F)cc3Cl)nn2)c1 ZINC000459668782 245203380 /nfs/dbraw/zinc/20/33/80/245203380.db2.gz UAJQAIHMQASJEV-UHFFFAOYSA-N 2 2 334.786 2.126 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000264213460 246192441 /nfs/dbraw/zinc/19/24/41/246192441.db2.gz SDVZSMXAJAZOSH-QGZVFWFLSA-N 2 2 341.459 2.274 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000264213460 246192450 /nfs/dbraw/zinc/19/24/50/246192450.db2.gz SDVZSMXAJAZOSH-QGZVFWFLSA-N 2 2 341.459 2.274 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(C)(C)C)C1 ZINC000195264421 256009006 /nfs/dbraw/zinc/00/90/06/256009006.db2.gz GWAREIGEVGUSFV-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC(C)(C)C)C1 ZINC000195264421 256009009 /nfs/dbraw/zinc/00/90/09/256009009.db2.gz GWAREIGEVGUSFV-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000195264421 256009012 /nfs/dbraw/zinc/00/90/12/256009012.db2.gz GWAREIGEVGUSFV-AWEZNQCLSA-N 2 2 338.521 2.120 10 0 EEAELP COc1ncccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287453 256009474 /nfs/dbraw/zinc/00/94/74/256009474.db2.gz HJDIDHOCMXJMJJ-KRWDZBQOSA-N 2 2 326.444 2.439 10 0 EEAELP COc1ncccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195287453 256009476 /nfs/dbraw/zinc/00/94/76/256009476.db2.gz HJDIDHOCMXJMJJ-KRWDZBQOSA-N 2 2 326.444 2.439 10 0 EEAELP COc1ncccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195287453 256009478 /nfs/dbraw/zinc/00/94/78/256009478.db2.gz HJDIDHOCMXJMJJ-KRWDZBQOSA-N 2 2 326.444 2.439 10 0 EEAELP COc1ncccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195287453 256009480 /nfs/dbraw/zinc/00/94/80/256009480.db2.gz HJDIDHOCMXJMJJ-KRWDZBQOSA-N 2 2 326.444 2.439 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000247020764 256015400 /nfs/dbraw/zinc/01/54/00/256015400.db2.gz SMFHCKRCWXYWJU-CVEARBPZSA-N 2 2 326.444 2.430 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cn1c(C)[nH+]c2ccccc21 ZINC000247020764 256015401 /nfs/dbraw/zinc/01/54/01/256015401.db2.gz SMFHCKRCWXYWJU-CVEARBPZSA-N 2 2 326.444 2.430 10 0 EEAELP COc1ccnc(NC2CC[NH+](Cc3cccc4[nH+]ccn43)CC2)n1 ZINC000191689871 152267263 /nfs/dbraw/zinc/26/72/63/152267263.db2.gz CTLJQJZKBGYVAS-UHFFFAOYSA-N 2 2 338.415 2.209 10 0 EEAELP CCc1nn(C)c(CC)c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000093148418 159230777 /nfs/dbraw/zinc/23/07/77/159230777.db2.gz NKESNORSPUXKDV-QGZVFWFLSA-N 2 2 347.551 2.147 10 0 EEAELP CCc1nn(C)c(CC)c1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093148418 159230780 /nfs/dbraw/zinc/23/07/80/159230780.db2.gz NKESNORSPUXKDV-QGZVFWFLSA-N 2 2 347.551 2.147 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000105104197 159295921 /nfs/dbraw/zinc/29/59/21/159295921.db2.gz OEKDSTGKYRBAFF-UHFFFAOYSA-N 2 2 335.839 2.129 10 0 EEAELP NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341881637 161021071 /nfs/dbraw/zinc/02/10/71/161021071.db2.gz JCQJJUYOEDJAMW-OALUTQOASA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341881637 161021072 /nfs/dbraw/zinc/02/10/72/161021072.db2.gz JCQJJUYOEDJAMW-OALUTQOASA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341881637 161021073 /nfs/dbraw/zinc/02/10/73/161021073.db2.gz JCQJJUYOEDJAMW-OALUTQOASA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341881637 161021074 /nfs/dbraw/zinc/02/10/74/161021074.db2.gz JCQJJUYOEDJAMW-OALUTQOASA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@]1(C(N)=O)CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900449 161022693 /nfs/dbraw/zinc/02/26/93/161022693.db2.gz IXTANURZNDUJAH-ICSRJNTNSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@]1(C(N)=O)CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341900449 161022694 /nfs/dbraw/zinc/02/26/94/161022694.db2.gz IXTANURZNDUJAH-ICSRJNTNSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@]1(C(N)=O)CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341900449 161022695 /nfs/dbraw/zinc/02/26/95/161022695.db2.gz IXTANURZNDUJAH-ICSRJNTNSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@@]1(C(N)=O)CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341900449 161022696 /nfs/dbraw/zinc/02/26/96/161022696.db2.gz IXTANURZNDUJAH-ICSRJNTNSA-N 2 2 345.487 2.007 10 0 EEAELP CO[C@@H]1CCC[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000342073088 161037135 /nfs/dbraw/zinc/03/71/35/161037135.db2.gz VQDSUYNEUDEXTK-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP CO[C@@H]1CCC[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000342073088 161037136 /nfs/dbraw/zinc/03/71/36/161037136.db2.gz VQDSUYNEUDEXTK-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP CN(CC[N@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000343298177 161121623 /nfs/dbraw/zinc/12/16/23/161121623.db2.gz DSWAMIHPMVMVLJ-SLFFLAALSA-N 2 2 329.488 2.056 10 0 EEAELP CN(CC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000343298177 161121624 /nfs/dbraw/zinc/12/16/24/161121624.db2.gz DSWAMIHPMVMVLJ-SLFFLAALSA-N 2 2 329.488 2.056 10 0 EEAELP CN(CC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343298177 161121625 /nfs/dbraw/zinc/12/16/25/161121625.db2.gz DSWAMIHPMVMVLJ-SLFFLAALSA-N 2 2 329.488 2.056 10 0 EEAELP CN(CC[NH+]1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000343298177 161121626 /nfs/dbraw/zinc/12/16/26/161121626.db2.gz DSWAMIHPMVMVLJ-SLFFLAALSA-N 2 2 329.488 2.056 10 0 EEAELP COc1ccc(COC[C@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000345700668 161323951 /nfs/dbraw/zinc/32/39/51/161323951.db2.gz YNCQWCZLMBSRKR-QGZVFWFLSA-N 2 2 345.443 2.175 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000354876413 163000046 /nfs/dbraw/zinc/00/00/46/163000046.db2.gz DFKBXPQGGJLJQL-OAHLLOKOSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC000354876413 163000048 /nfs/dbraw/zinc/00/00/48/163000048.db2.gz DFKBXPQGGJLJQL-OAHLLOKOSA-N 2 2 330.476 2.240 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000355650340 163258601 /nfs/dbraw/zinc/25/86/01/163258601.db2.gz NDLQHTTUMFEZQK-UHFFFAOYSA-N 2 2 337.427 2.299 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2CN2CCn3c[nH+]cc3C2)CC1 ZINC000356293481 163396009 /nfs/dbraw/zinc/39/60/09/163396009.db2.gz KZVMKZNZYKMSII-UHFFFAOYSA-N 2 2 339.487 2.431 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](Cc3c(C)cc(OC)nc3C)CC2)c1 ZINC000359214357 164084883 /nfs/dbraw/zinc/08/48/83/164084883.db2.gz AHYMBHFZOSSNRN-UHFFFAOYSA-N 2 2 342.443 2.433 10 0 EEAELP C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000376284294 167296540 /nfs/dbraw/zinc/29/65/40/167296540.db2.gz YKPHDWAOLKMXHQ-IAGOWNOFSA-N 2 2 349.519 2.011 10 0 EEAELP C[C@@H](NC(=O)C1([NH+]2CCOCC2)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000376284294 167296542 /nfs/dbraw/zinc/29/65/42/167296542.db2.gz YKPHDWAOLKMXHQ-IAGOWNOFSA-N 2 2 349.519 2.011 10 0 EEAELP Cn1c[nH+]cc1CC[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000290145518 275184114 /nfs/dbraw/zinc/18/41/14/275184114.db2.gz WFPGAYNQIBLICV-MRXNPFEDSA-N 2 2 332.835 2.353 10 0 EEAELP Cn1c[nH+]cc1CC[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000290145518 275184115 /nfs/dbraw/zinc/18/41/15/275184115.db2.gz WFPGAYNQIBLICV-MRXNPFEDSA-N 2 2 332.835 2.353 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420354669 276374775 /nfs/dbraw/zinc/37/47/75/276374775.db2.gz BYTRBHHALNNCFW-KXBFYZLASA-N 2 2 331.460 2.488 10 0 EEAELP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420354669 276374776 /nfs/dbraw/zinc/37/47/76/276374776.db2.gz BYTRBHHALNNCFW-KXBFYZLASA-N 2 2 331.460 2.488 10 0 EEAELP C[C@H]1C[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)c2[nH+]ccn21 ZINC000456375857 278496724 /nfs/dbraw/zinc/49/67/24/278496724.db2.gz KIOXGSZKFAGNOF-ZFWWWQNUSA-N 2 2 328.416 2.259 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000423365723 288072985 /nfs/dbraw/zinc/07/29/85/288072985.db2.gz PNCYBOOKORQGFS-BHYGNILZSA-N 2 2 333.476 2.192 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420394826 289296995 /nfs/dbraw/zinc/29/69/95/289296995.db2.gz CVEBDPLCUYXWKE-RBSFLKMASA-N 2 2 333.501 2.431 10 0 EEAELP C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420394826 289296998 /nfs/dbraw/zinc/29/69/98/289296998.db2.gz CVEBDPLCUYXWKE-RBSFLKMASA-N 2 2 333.501 2.431 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000183573307 289429540 /nfs/dbraw/zinc/42/95/40/289429540.db2.gz XGOLAHADJFZUHL-MRXNPFEDSA-N 2 2 348.397 2.459 10 0 EEAELP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cnnn3Cc3ccccc3)C2)C1 ZINC000293740762 293283876 /nfs/dbraw/zinc/28/38/76/293283876.db2.gz VUCYCEVOJVVQJQ-LJQANCHMSA-N 2 2 325.460 2.244 10 0 EEAELP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cnnn3Cc3ccccc3)C2)C1 ZINC000293740762 293283877 /nfs/dbraw/zinc/28/38/77/293283877.db2.gz VUCYCEVOJVVQJQ-LJQANCHMSA-N 2 2 325.460 2.244 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cnnn3Cc3ccccc3)C2)C1 ZINC000293740762 293283878 /nfs/dbraw/zinc/28/38/78/293283878.db2.gz VUCYCEVOJVVQJQ-LJQANCHMSA-N 2 2 325.460 2.244 10 0 EEAELP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cnnn3Cc3ccccc3)C2)C1 ZINC000293740762 293283879 /nfs/dbraw/zinc/28/38/79/293283879.db2.gz VUCYCEVOJVVQJQ-LJQANCHMSA-N 2 2 325.460 2.244 10 0 EEAELP COc1nccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000296969148 294115658 /nfs/dbraw/zinc/11/56/58/294115658.db2.gz URYOKIRCNNQZNL-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP COc1nccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000296969148 294115662 /nfs/dbraw/zinc/11/56/62/294115662.db2.gz URYOKIRCNNQZNL-AWEZNQCLSA-N 2 2 327.432 2.398 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000297954130 294382354 /nfs/dbraw/zinc/38/23/54/294382354.db2.gz WACQJWSDZHGINN-ZDUSSCGKSA-N 2 2 346.397 2.085 10 0 EEAELP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000297954130 294382357 /nfs/dbraw/zinc/38/23/57/294382357.db2.gz WACQJWSDZHGINN-ZDUSSCGKSA-N 2 2 346.397 2.085 10 0 EEAELP CC(C)c1nnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1C ZINC000173958364 311425265 /nfs/dbraw/zinc/42/52/65/311425265.db2.gz JVXVBAULXVATOZ-UHFFFAOYSA-N 2 2 335.496 2.015 10 0 EEAELP Cc1cc(C)c(NC(=O)N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c(C)[nH+]1 ZINC000333158047 312102976 /nfs/dbraw/zinc/10/29/76/312102976.db2.gz GTBZOTIIZYQPQS-XJKSGUPXSA-N 2 2 332.448 2.191 10 0 EEAELP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414831176 313099143 /nfs/dbraw/zinc/09/91/43/313099143.db2.gz MTWRSHPQHZSJMU-QFBILLFUSA-N 2 2 325.456 2.414 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000416852025 313336810 /nfs/dbraw/zinc/33/68/10/313336810.db2.gz MEQHJDQRRKZXGN-SFHVURJKSA-N 2 2 347.438 2.078 10 0 EEAELP C[C@@H](NC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000416896272 313352586 /nfs/dbraw/zinc/35/25/86/313352586.db2.gz VHXGYVSNZPZKOS-MISXGVKJSA-N 2 2 335.839 2.198 10 0 EEAELP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C1 ZINC000416941108 313368054 /nfs/dbraw/zinc/36/80/54/313368054.db2.gz QDHHNRKSHCXECS-RYUDHWBXSA-N 2 2 335.839 2.257 10 0 EEAELP [NH3+]C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCC1 ZINC000417075982 313414084 /nfs/dbraw/zinc/41/40/84/313414084.db2.gz NSLXQGTYLIIQHL-GOSISDBHSA-N 2 2 341.459 2.248 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418727191 313890467 /nfs/dbraw/zinc/89/04/67/313890467.db2.gz PATFPIPUDOFTPJ-IPYPFGDCSA-N 2 2 329.448 2.254 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000438996848 315062776 /nfs/dbraw/zinc/06/27/76/315062776.db2.gz FPMOCFMVXBMYAG-RHSMWYFYSA-N 2 2 349.475 2.415 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000438996848 315062778 /nfs/dbraw/zinc/06/27/78/315062778.db2.gz FPMOCFMVXBMYAG-RHSMWYFYSA-N 2 2 349.475 2.415 10 0 EEAELP Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)c(C)c[nH+]1 ZINC000536620677 318005165 /nfs/dbraw/zinc/00/51/65/318005165.db2.gz REYWQSXPNXAXBS-QGZVFWFLSA-N 2 2 326.444 2.415 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@@H](Nc2cc[nH+]c3ccsc32)C1=O ZINC000541188998 318094227 /nfs/dbraw/zinc/09/42/27/318094227.db2.gz INJZJEPWSMUHRW-CQSZACIVSA-N 2 2 341.440 2.055 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)CC1 ZINC000543254527 318153917 /nfs/dbraw/zinc/15/39/17/318153917.db2.gz ZNDSCLPXOGOUQS-HKUYNNGSSA-N 2 2 329.488 2.337 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](c3ccc(C)cc3)C2)CC1 ZINC000543254527 318153918 /nfs/dbraw/zinc/15/39/18/318153918.db2.gz ZNDSCLPXOGOUQS-HKUYNNGSSA-N 2 2 329.488 2.337 10 0 EEAELP O=C(NCC[C@H]1CCC[NH2+]1)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000561124862 318825009 /nfs/dbraw/zinc/82/50/09/318825009.db2.gz CBZRYDPNMGLIOQ-QGZVFWFLSA-N 2 2 345.491 2.403 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000566439785 319287271 /nfs/dbraw/zinc/28/72/71/319287271.db2.gz NSEZCOPMTDVEIE-UHFFFAOYSA-N 2 2 333.451 2.248 10 0 EEAELP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000567572494 319391891 /nfs/dbraw/zinc/39/18/91/319391891.db2.gz AVMHJRDLGJCVIY-CVEARBPZSA-N 2 2 345.491 2.108 10 0 EEAELP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000578352521 320309894 /nfs/dbraw/zinc/30/98/94/320309894.db2.gz SQQNVHMNFXSLIJ-UHFFFAOYSA-N 2 2 328.420 2.032 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H]2CCC[NH2+]2)c(C)c1 ZINC000579332749 323827248 /nfs/dbraw/zinc/82/72/48/323827248.db2.gz ZKPBGOCRHJQAJS-AEFFLSMTSA-N 2 2 341.459 2.292 10 0 EEAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1cn3cc(Cl)ccc3[nH+]1)C2 ZINC000581912837 324339820 /nfs/dbraw/zinc/33/98/20/324339820.db2.gz FEVNNUFDLFCMJI-GFCCVEGCSA-N 2 2 343.818 2.371 10 0 EEAELP C[N@@H+]1CCCC12CCN(c1nc(NCCO)c3ccccc3[nH+]1)CC2 ZINC000527323566 448210363 /nfs/dbraw/zinc/21/03/63/448210363.db2.gz FWYIGESUCHKSIS-UHFFFAOYSA-N 2 2 341.459 2.099 10 0 EEAELP C[N@H+]1CCCC12CCN(c1nc(NCCO)c3ccccc3[nH+]1)CC2 ZINC000527323566 448210364 /nfs/dbraw/zinc/21/03/64/448210364.db2.gz FWYIGESUCHKSIS-UHFFFAOYSA-N 2 2 341.459 2.099 10 0 EEAELP Cc1cc(NCCNc2[nH+]cnc3c2cnn3C)nc(C(C)C)[nH+]1 ZINC000528058857 448421491 /nfs/dbraw/zinc/42/14/91/448421491.db2.gz CVHHKTPVYAZGGM-UHFFFAOYSA-N 2 2 326.408 2.109 10 0 EEAELP OCCNc1nc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[nH+]c2ccccc21 ZINC000538088375 448576610 /nfs/dbraw/zinc/57/66/10/448576610.db2.gz NZYGZCHTWGUSGW-CYBMUJFWSA-N 2 2 338.415 2.141 10 0 EEAELP C[N@H+]1CCN(CCNc2nc3ccccc3n3c[nH+]cc23)CC1(C)C ZINC000624184611 450737194 /nfs/dbraw/zinc/73/71/94/450737194.db2.gz KHPWMBOIZDLFBM-UHFFFAOYSA-N 2 2 338.459 2.320 10 0 EEAELP Cc1cc(NCCNC(=O)NC[C@]2(C)CCC[NH2+]C2)nc(C(C)C)[nH+]1 ZINC000627083848 451117132 /nfs/dbraw/zinc/11/71/32/451117132.db2.gz MVHKVZYHSIZREA-GOSISDBHSA-N 2 2 348.495 2.009 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C2CCN(C(N)=O)CC2)c(C)c1 ZINC000358341849 465069405 /nfs/dbraw/zinc/06/94/05/465069405.db2.gz CQNFWYZYMYFUFY-SFHVURJKSA-N 2 2 341.459 2.374 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000358401620 465101166 /nfs/dbraw/zinc/10/11/66/465101166.db2.gz NYRBJZXVVJUUSG-BHYGNILZSA-N 2 2 333.476 2.144 10 0 EEAELP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1OCC(=O)N(C)C ZINC000358401620 465101169 /nfs/dbraw/zinc/10/11/69/465101169.db2.gz NYRBJZXVVJUUSG-BHYGNILZSA-N 2 2 333.476 2.144 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)n1 ZINC000339432318 465270208 /nfs/dbraw/zinc/27/02/08/465270208.db2.gz IVKHIEHJDWOPJO-HXUWFJFHSA-N 2 2 346.519 2.472 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)n1 ZINC000339432318 465270209 /nfs/dbraw/zinc/27/02/09/465270209.db2.gz IVKHIEHJDWOPJO-HXUWFJFHSA-N 2 2 346.519 2.472 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)n1 ZINC000339432318 465270211 /nfs/dbraw/zinc/27/02/11/465270211.db2.gz IVKHIEHJDWOPJO-HXUWFJFHSA-N 2 2 346.519 2.472 10 0 EEAELP CCN(CCOC)c1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000339432318 465270214 /nfs/dbraw/zinc/27/02/14/465270214.db2.gz IVKHIEHJDWOPJO-HXUWFJFHSA-N 2 2 346.519 2.472 10 0 EEAELP O=S1(=O)CCC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868589 465270798 /nfs/dbraw/zinc/27/07/98/465270798.db2.gz HAEHKEQCTWDRNM-ROUUACIJSA-N 2 2 342.549 2.399 10 0 EEAELP O=S1(=O)CCC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000341868589 465270799 /nfs/dbraw/zinc/27/07/99/465270799.db2.gz HAEHKEQCTWDRNM-ROUUACIJSA-N 2 2 342.549 2.399 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000337304082 465295142 /nfs/dbraw/zinc/29/51/42/465295142.db2.gz RZQDBLLCDMCOIB-QGZVFWFLSA-N 2 2 330.476 2.303 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)S(C)(=O)=O ZINC000578891348 468276254 /nfs/dbraw/zinc/27/62/54/468276254.db2.gz LQWABAKLXQYGKH-WBVHZDCISA-N 2 2 336.501 2.206 10 0 EEAELP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)S(C)(=O)=O ZINC000578891348 468276257 /nfs/dbraw/zinc/27/62/57/468276257.db2.gz LQWABAKLXQYGKH-WBVHZDCISA-N 2 2 336.501 2.206 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298291658 465356236 /nfs/dbraw/zinc/35/62/36/465356236.db2.gz HGVKVBSROYIHQA-OAQYLSRUSA-N 3 2 344.547 2.219 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298291658 465356241 /nfs/dbraw/zinc/35/62/41/465356241.db2.gz HGVKVBSROYIHQA-OAQYLSRUSA-N 3 2 344.547 2.219 10 0 EEAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000298291658 465356244 /nfs/dbraw/zinc/35/62/44/465356244.db2.gz HGVKVBSROYIHQA-OAQYLSRUSA-N 3 2 344.547 2.219 10 0 EEAELP CN(CC[NH+](C)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298291658 465356248 /nfs/dbraw/zinc/35/62/48/465356248.db2.gz HGVKVBSROYIHQA-OAQYLSRUSA-N 3 2 344.547 2.219 10 0 EEAELP Cc1[nH+]cc(C[NH2+]CCC2CCS(=O)(=O)CC2)n1-c1ccccc1 ZINC000535072049 468297252 /nfs/dbraw/zinc/29/72/52/468297252.db2.gz OKMIPPYRDOWXMW-UHFFFAOYSA-N 2 2 347.484 2.485 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000298415931 465389377 /nfs/dbraw/zinc/38/93/77/465389377.db2.gz KWOVYFHFPCBHMN-NVXWUHKLSA-N 2 2 341.459 2.365 10 0 EEAELP C[NH+]1CCC(CNC(=O)NCC2CCCC2)([NH+]2CCCCC2)CC1 ZINC000075503546 462723353 /nfs/dbraw/zinc/72/33/53/462723353.db2.gz YJZXLJDQLSYLFV-UHFFFAOYSA-N 2 2 336.524 2.426 10 0 EEAELP O=c1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccccn12 ZINC000065473989 462777290 /nfs/dbraw/zinc/77/72/90/462777290.db2.gz OLBBGIKPBFXFCO-HNNXBMFYSA-N 2 2 335.411 2.024 10 0 EEAELP O=c1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)nc2ccccn12 ZINC000065473989 462777297 /nfs/dbraw/zinc/77/72/97/462777297.db2.gz OLBBGIKPBFXFCO-HNNXBMFYSA-N 2 2 335.411 2.024 10 0 EEAELP CC[NH+]1CCN(c2ccc(C(=O)Nc3c[nH+]ccc3OC)cc2)CC1 ZINC000155489122 462898609 /nfs/dbraw/zinc/89/86/09/462898609.db2.gz YURUNRHCHOXQED-UHFFFAOYSA-N 2 2 340.427 2.484 10 0 EEAELP Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC000155589848 462914625 /nfs/dbraw/zinc/91/46/25/462914625.db2.gz SOAAUOPEELZPOT-UHFFFAOYSA-N 2 2 332.448 2.018 10 0 EEAELP Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)c(C)[nH+]1 ZINC000155589848 462914629 /nfs/dbraw/zinc/91/46/29/462914629.db2.gz SOAAUOPEELZPOT-UHFFFAOYSA-N 2 2 332.448 2.018 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c[nH+]1 ZINC000157842590 463175651 /nfs/dbraw/zinc/17/56/51/463175651.db2.gz NEXLWQUUSWHURM-DOTOQJQBSA-N 2 2 347.507 2.456 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c[nH+]1 ZINC000157842590 463175656 /nfs/dbraw/zinc/17/56/56/463175656.db2.gz NEXLWQUUSWHURM-DOTOQJQBSA-N 2 2 347.507 2.456 10 0 EEAELP CS[C@@H](C)CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000124502628 463431160 /nfs/dbraw/zinc/43/11/60/463431160.db2.gz JPNLDDBEXHXYHI-HNNXBMFYSA-N 2 2 327.538 2.195 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c[nH+]1 ZINC000105115299 463438895 /nfs/dbraw/zinc/43/88/95/463438895.db2.gz SFQXIYLUOMCSBX-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CCN(CC)c1ccc(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c[nH+]1 ZINC000105115299 463438897 /nfs/dbraw/zinc/43/88/97/463438897.db2.gz SFQXIYLUOMCSBX-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)Cc1ccccc1 ZINC000151723879 463581076 /nfs/dbraw/zinc/58/10/76/463581076.db2.gz RTDGEZSMGZSRSA-GOSISDBHSA-N 2 2 332.492 2.072 10 0 EEAELP CCCc1cc(N2CC[NH+]([C@@H](C)C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000125925082 463592274 /nfs/dbraw/zinc/59/22/74/463592274.db2.gz VFKUTOHIFPVSMW-AWEZNQCLSA-N 2 2 326.444 2.183 10 0 EEAELP CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171041305 463767360 /nfs/dbraw/zinc/76/73/60/463767360.db2.gz BKSPJSCUMSOUDS-MRXNPFEDSA-N 2 2 343.475 2.461 10 0 EEAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171041305 463767364 /nfs/dbraw/zinc/76/73/64/463767364.db2.gz BKSPJSCUMSOUDS-MRXNPFEDSA-N 2 2 343.475 2.461 10 0 EEAELP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000287251355 463847681 /nfs/dbraw/zinc/84/76/81/463847681.db2.gz GXSNSSQVPVSGBS-OBJOEFQTSA-N 2 2 346.397 2.359 10 0 EEAELP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000287251355 463847684 /nfs/dbraw/zinc/84/76/84/463847684.db2.gz GXSNSSQVPVSGBS-OBJOEFQTSA-N 2 2 346.397 2.359 10 0 EEAELP COc1ccc(Cl)cc1CN1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262110893 463949293 /nfs/dbraw/zinc/94/92/93/463949293.db2.gz WHSXWNLLCUKLBE-GOSISDBHSA-N 2 2 337.895 2.466 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2ccccc2c(=O)n1C ZINC000178753616 463964197 /nfs/dbraw/zinc/96/41/97/463964197.db2.gz CMFOOPICJCEJSF-OAHLLOKOSA-N 2 2 337.427 2.103 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2ccccc2c(=O)n1C ZINC000178753616 463964203 /nfs/dbraw/zinc/96/42/03/463964203.db2.gz CMFOOPICJCEJSF-OAHLLOKOSA-N 2 2 337.427 2.103 10 0 EEAELP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000186574284 464025494 /nfs/dbraw/zinc/02/54/94/464025494.db2.gz VSRDFCVETMCMNS-GOSISDBHSA-N 2 2 332.492 2.276 10 0 EEAELP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CCN(C(N)=O)CC1 ZINC000186574284 464025498 /nfs/dbraw/zinc/02/54/98/464025498.db2.gz VSRDFCVETMCMNS-GOSISDBHSA-N 2 2 332.492 2.276 10 0 EEAELP Cc1cc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)no1 ZINC000180651665 464360083 /nfs/dbraw/zinc/36/00/83/464360083.db2.gz LULQPGBWOWKNIM-CYBMUJFWSA-N 2 2 325.372 2.458 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000579788014 468407628 /nfs/dbraw/zinc/40/76/28/468407628.db2.gz CURFFABQJJCGAR-PBHICJAKSA-N 2 2 330.476 2.254 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000182157425 464585517 /nfs/dbraw/zinc/58/55/17/464585517.db2.gz NCOMQRXLYAYYKQ-QZTJIDSGSA-N 2 2 339.524 2.066 10 0 EEAELP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000182157425 464585522 /nfs/dbraw/zinc/58/55/22/464585522.db2.gz NCOMQRXLYAYYKQ-QZTJIDSGSA-N 2 2 339.524 2.066 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272437549 464607965 /nfs/dbraw/zinc/60/79/65/464607965.db2.gz SFDNCJYJOOBLMS-IYWMVGAKSA-N 2 2 340.471 2.239 10 0 EEAELP Cn1cc([C@@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272437549 464607970 /nfs/dbraw/zinc/60/79/70/464607970.db2.gz SFDNCJYJOOBLMS-IYWMVGAKSA-N 2 2 340.471 2.239 10 0 EEAELP Cn1cc([C@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272437551 464607997 /nfs/dbraw/zinc/60/79/97/464607997.db2.gz SFDNCJYJOOBLMS-YRPNKDGESA-N 2 2 340.471 2.239 10 0 EEAELP Cn1cc([C@H](CO)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272437551 464608004 /nfs/dbraw/zinc/60/80/04/464608004.db2.gz SFDNCJYJOOBLMS-YRPNKDGESA-N 2 2 340.471 2.239 10 0 EEAELP Cc1cc(N2CCC[C@H]([NH2+]C3CC[NH+](C(C)(C)C)CC3)C2=O)n(C)n1 ZINC000182358069 464634967 /nfs/dbraw/zinc/63/49/67/464634967.db2.gz SPULLVZBXULCQR-INIZCTEOSA-N 2 2 347.507 2.076 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265764893 464678448 /nfs/dbraw/zinc/67/84/48/464678448.db2.gz CRBIFEXIMRBDBD-QGZVFWFLSA-N 2 2 345.487 2.123 10 0 EEAELP CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000266752196 464809018 /nfs/dbraw/zinc/80/90/18/464809018.db2.gz OFFFQWFTTYXGFB-UHFFFAOYSA-N 2 2 326.400 2.430 10 0 EEAELP CC[NH+](CC)Cc1ccccc1CNc1nc2c(cnn2C)c(N)[nH+]1 ZINC000276271400 464871445 /nfs/dbraw/zinc/87/14/45/464871445.db2.gz OAXJIOGMVNQEBV-UHFFFAOYSA-N 2 2 339.447 2.399 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000177428651 465013064 /nfs/dbraw/zinc/01/30/64/465013064.db2.gz OKEPXLXYOKRFHB-QGZVFWFLSA-N 2 2 341.459 2.498 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000177428651 465013069 /nfs/dbraw/zinc/01/30/69/465013069.db2.gz OKEPXLXYOKRFHB-QGZVFWFLSA-N 2 2 341.459 2.498 10 0 EEAELP c1cn(-c2csc(C[NH2+]C3CCN(c4cccnn4)CC3)c2)c[nH+]1 ZINC000569062268 468429137 /nfs/dbraw/zinc/42/91/37/468429137.db2.gz FXLAIQSIGQFUMX-UHFFFAOYSA-N 2 2 340.456 2.482 10 0 EEAELP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc(Cn3cc[nH+]c3)cc1)C2 ZINC000351727258 465321588 /nfs/dbraw/zinc/32/15/88/465321588.db2.gz KVYOOSOFJBEIHI-GOSISDBHSA-N 2 2 349.438 2.315 10 0 EEAELP O=C(C[N@@H+]1CCC12CCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000348308474 465543385 /nfs/dbraw/zinc/54/33/85/465543385.db2.gz RZXTYRACAWJLOT-UHFFFAOYSA-N 2 2 329.444 2.086 10 0 EEAELP O=C(C[N@H+]1CCC12CCC2)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000348308474 465543389 /nfs/dbraw/zinc/54/33/89/465543389.db2.gz RZXTYRACAWJLOT-UHFFFAOYSA-N 2 2 329.444 2.086 10 0 EEAELP 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EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000332691579 466552273 /nfs/dbraw/zinc/55/22/73/466552273.db2.gz SVRWMKSEZXQOLS-OAGGEKHMSA-N 2 2 331.464 2.029 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCn2cc[nH+]c21 ZINC000332691579 466552277 /nfs/dbraw/zinc/55/22/77/466552277.db2.gz SVRWMKSEZXQOLS-OAGGEKHMSA-N 2 2 331.464 2.029 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000332692810 466553137 /nfs/dbraw/zinc/55/31/37/466553137.db2.gz VAIORSHELGWQPJ-ZACQAIPSSA-N 2 2 345.491 2.337 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1CCCn2cc(C)[nH+]c21 ZINC000332692810 466553140 /nfs/dbraw/zinc/55/31/40/466553140.db2.gz VAIORSHELGWQPJ-ZACQAIPSSA-N 2 2 345.491 2.337 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000358265299 466580572 /nfs/dbraw/zinc/58/05/72/466580572.db2.gz ZMYCPHGFXRVGEL-AZUAARDMSA-N 2 2 330.472 2.435 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000358265299 466580575 /nfs/dbraw/zinc/58/05/75/466580575.db2.gz ZMYCPHGFXRVGEL-AZUAARDMSA-N 2 2 330.472 2.435 10 0 EEAELP CCOc1cc(C[N@H+](C)C[C@@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000322853068 466635014 /nfs/dbraw/zinc/63/50/14/466635014.db2.gz QLTVXAWQAVLKHB-ZDUSSCGKSA-N 2 2 330.375 2.107 10 0 EEAELP CCOc1cc(C[N@@H+](C)C[C@@H]2C[NH2+]CCO2)ccc1OC(F)F ZINC000322853068 466635019 /nfs/dbraw/zinc/63/50/19/466635019.db2.gz QLTVXAWQAVLKHB-ZDUSSCGKSA-N 2 2 330.375 2.107 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000368608931 466687999 /nfs/dbraw/zinc/68/79/99/466687999.db2.gz TUSJOZVXFYXNTO-SQNIBIBYSA-N 2 2 336.501 2.313 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]CCCS(=O)(=O)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000368608931 466688006 /nfs/dbraw/zinc/68/80/06/466688006.db2.gz TUSJOZVXFYXNTO-SQNIBIBYSA-N 2 2 336.501 2.313 10 0 EEAELP COc1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)c[nH+]2)cc1O ZINC000423230107 466700411 /nfs/dbraw/zinc/70/04/11/466700411.db2.gz IPIMSJOGQIGLKZ-ZDUSSCGKSA-N 2 2 328.416 2.379 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226317 466804560 /nfs/dbraw/zinc/80/45/60/466804560.db2.gz FVKODTYNVJPMKO-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000370226317 466804565 /nfs/dbraw/zinc/80/45/65/466804565.db2.gz FVKODTYNVJPMKO-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000370226317 466804567 /nfs/dbraw/zinc/80/45/67/466804567.db2.gz FVKODTYNVJPMKO-HUUCEWRRSA-N 2 2 333.480 2.419 10 0 EEAELP c1nc(NC2CC([NH+]3CCCCC3)C2)cc(N2CCSCC2)[nH+]1 ZINC000373684761 466887900 /nfs/dbraw/zinc/88/79/00/466887900.db2.gz VYTVFHKKXXODII-UHFFFAOYSA-N 2 2 333.505 2.459 10 0 EEAELP c1nc(N2CCSCC2)cc(NC2CC([NH+]3CCCCC3)C2)[nH+]1 ZINC000373684761 466887905 /nfs/dbraw/zinc/88/79/05/466887905.db2.gz VYTVFHKKXXODII-UHFFFAOYSA-N 2 2 333.505 2.459 10 0 EEAELP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[NH+]2CCC1CC2 ZINC000373730312 466902835 /nfs/dbraw/zinc/90/28/35/466902835.db2.gz VTJDILZWNQHDJI-IBGZPJMESA-N 2 2 345.462 2.487 10 0 EEAELP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418242676 467083121 /nfs/dbraw/zinc/08/31/21/467083121.db2.gz COMJUKUBWXHTJE-WFASDCNBSA-N 2 2 347.850 2.323 10 0 EEAELP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000418268954 467086704 /nfs/dbraw/zinc/08/67/04/467086704.db2.gz YOTYJDBLIAKNAH-SWLSCSKDSA-N 2 2 347.850 2.323 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000418618641 467136940 /nfs/dbraw/zinc/13/69/40/467136940.db2.gz NMLYJDRQGHGXBW-KRWUTGMMSA-N 2 2 342.487 2.025 10 0 EEAELP CC[C@@H]([NH3+])CNC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000418706607 467148119 /nfs/dbraw/zinc/14/81/19/467148119.db2.gz FOECCUKGOPRRLI-UONOGXRCSA-N 2 2 338.883 2.466 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427845828 467182699 /nfs/dbraw/zinc/18/26/99/467182699.db2.gz GAZVXTSBHCWMST-KBXCAEBGSA-N 2 2 327.428 2.379 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(C(N)=O)co1 ZINC000427845828 467182702 /nfs/dbraw/zinc/18/27/02/467182702.db2.gz GAZVXTSBHCWMST-KBXCAEBGSA-N 2 2 327.428 2.379 10 0 EEAELP CCN(c1ccccc1)c1cc(NC[C@](C)(O)C[NH+](C)C)[nH+]cn1 ZINC000432331665 467232242 /nfs/dbraw/zinc/23/22/42/467232242.db2.gz PEQMLCBKOUBKGS-SFHVURJKSA-N 2 2 329.448 2.359 10 0 EEAELP Cn1c[nH+]c(CC[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)c1 ZINC000414130380 467381310 /nfs/dbraw/zinc/38/13/10/467381310.db2.gz WSGVVEHLQAWCDT-QZTJIDSGSA-N 2 2 348.878 2.278 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420388386 467390550 /nfs/dbraw/zinc/39/05/50/467390550.db2.gz WYEZAVHBZYJSTB-YZVOILCLSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420388386 467390554 /nfs/dbraw/zinc/39/05/54/467390554.db2.gz WYEZAVHBZYJSTB-YZVOILCLSA-N 2 2 333.451 2.467 10 0 EEAELP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1Cl ZINC000453267672 467473994 /nfs/dbraw/zinc/47/39/94/467473994.db2.gz PNRSXYHYVQONCF-JSGCOSHPSA-N 2 2 327.856 2.241 10 0 EEAELP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1Cl ZINC000453267672 467473995 /nfs/dbraw/zinc/47/39/95/467473995.db2.gz PNRSXYHYVQONCF-JSGCOSHPSA-N 2 2 327.856 2.241 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000405363685 467481750 /nfs/dbraw/zinc/48/17/50/467481750.db2.gz DWEMJNGKPQLYGL-CZUORRHYSA-N 2 2 340.851 2.297 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000405363685 467481753 /nfs/dbraw/zinc/48/17/53/467481753.db2.gz DWEMJNGKPQLYGL-CZUORRHYSA-N 2 2 340.851 2.297 10 0 EEAELP C[C@H](c1cccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000415151379 467502577 /nfs/dbraw/zinc/50/25/77/467502577.db2.gz SKVXUYRLECKPKQ-IIDMSEBBSA-N 2 2 346.475 2.199 10 0 EEAELP COc1nccnc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000449169056 467622021 /nfs/dbraw/zinc/62/20/21/467622021.db2.gz FQSYXBHVDDTCTH-RDJZCZTQSA-N 2 2 326.444 2.485 10 0 EEAELP COc1nccnc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000449169056 467622023 /nfs/dbraw/zinc/62/20/23/467622023.db2.gz FQSYXBHVDDTCTH-RDJZCZTQSA-N 2 2 326.444 2.485 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000449395751 467638514 /nfs/dbraw/zinc/63/85/14/467638514.db2.gz QPZSCHFVRYKLCI-AWEZNQCLSA-N 2 2 340.851 2.048 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000449395751 467638518 /nfs/dbraw/zinc/63/85/18/467638518.db2.gz QPZSCHFVRYKLCI-AWEZNQCLSA-N 2 2 340.851 2.048 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000449492147 467652612 /nfs/dbraw/zinc/65/26/12/467652612.db2.gz IOUIKXAEEKMQDR-SJLPKXTDSA-N 2 2 340.508 2.445 10 0 EEAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457627369 467665690 /nfs/dbraw/zinc/66/56/90/467665690.db2.gz AAXWPZRVUYENGD-UHFFFAOYSA-N 2 2 343.475 2.302 10 0 EEAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCc1cn(C)c[nH+]1 ZINC000457627369 467665693 /nfs/dbraw/zinc/66/56/93/467665693.db2.gz AAXWPZRVUYENGD-UHFFFAOYSA-N 2 2 343.475 2.302 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000457379550 467810990 /nfs/dbraw/zinc/81/09/90/467810990.db2.gz SWUOYWISPBXBKE-GOSISDBHSA-N 2 2 341.459 2.099 10 0 EEAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000517360826 468082754 /nfs/dbraw/zinc/08/27/54/468082754.db2.gz AZRLRJHMCNXWGS-HOTGVXAUSA-N 2 2 329.444 2.351 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000533543095 468209888 /nfs/dbraw/zinc/20/98/88/468209888.db2.gz AXEPHHWMLQREPO-SFHVURJKSA-N 2 2 341.459 2.198 10 0 EEAELP O=C(CCc1[nH]cc[nH+]1)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000570189783 468603097 /nfs/dbraw/zinc/60/30/97/468603097.db2.gz QCJJSHCPXVESQB-UHFFFAOYSA-N 2 2 332.835 2.170 10 0 EEAELP O=C(CCc1[nH]cc[nH+]1)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000570189783 468603101 /nfs/dbraw/zinc/60/31/01/468603101.db2.gz QCJJSHCPXVESQB-UHFFFAOYSA-N 2 2 332.835 2.170 10 0 EEAELP Cc1nc2[nH]ccc2c(N2CCC(CC[NH+]3CCOCC3)CC2)[nH+]1 ZINC000570386785 468630950 /nfs/dbraw/zinc/63/09/50/468630950.db2.gz ICNMEBTTXSSDMQ-UHFFFAOYSA-N 2 2 329.448 2.205 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)CC1 ZINC000594613410 468637073 /nfs/dbraw/zinc/63/70/73/468637073.db2.gz OEBALWPEBOPNEF-WKILWMFISA-N 2 2 326.481 2.340 10 0 EEAELP CC[C@H]([NH2+]C1CC[NH+](CCCC(=O)OC)CC1)[C@@H]1CCCCO1 ZINC000594611991 468636700 /nfs/dbraw/zinc/63/67/00/468636700.db2.gz RUSQZCCAKJLJHR-IRXDYDNUSA-N 2 2 326.481 2.341 10 0 EEAELP CCN(CC)[C@H](C)C[NH2+]C[C@H](O)Cn1c[nH+]c2cc(C)c(C)cc21 ZINC000583748667 468750086 /nfs/dbraw/zinc/75/00/86/468750086.db2.gz RMWCIBASBVEVNI-SJORKVTESA-N 2 2 332.492 2.334 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000583820690 468761574 /nfs/dbraw/zinc/76/15/74/468761574.db2.gz MUVWGNLMRDPULF-WMZOPIPTSA-N 2 2 338.455 2.403 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000583820690 468761576 /nfs/dbraw/zinc/76/15/76/468761576.db2.gz MUVWGNLMRDPULF-WMZOPIPTSA-N 2 2 338.455 2.403 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000583872991 468768127 /nfs/dbraw/zinc/76/81/27/468768127.db2.gz YFHBTKHAJSWUJL-KRWDZBQOSA-N 2 2 330.457 2.284 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000583872991 468768133 /nfs/dbraw/zinc/76/81/33/468768133.db2.gz YFHBTKHAJSWUJL-KRWDZBQOSA-N 2 2 330.457 2.284 10 0 EEAELP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000584709856 468918482 /nfs/dbraw/zinc/91/84/82/468918482.db2.gz NBWLNHAVHCGNRK-JKSUJKDBSA-N 2 2 345.491 2.108 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000585754189 469026534 /nfs/dbraw/zinc/02/65/34/469026534.db2.gz LJUYIINRYDYUHA-KRWDZBQOSA-N 2 2 345.487 2.071 10 0 EEAELP CCOc1ccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cc1 ZINC000585754189 469026539 /nfs/dbraw/zinc/02/65/39/469026539.db2.gz LJUYIINRYDYUHA-KRWDZBQOSA-N 2 2 345.487 2.071 10 0 EEAELP COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595857517 469049087 /nfs/dbraw/zinc/04/90/87/469049087.db2.gz YJQFMQGKORCHHN-CEXWTWQISA-N 2 2 346.471 2.161 10 0 EEAELP COC(=O)[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000595857517 469049096 /nfs/dbraw/zinc/04/90/96/469049096.db2.gz YJQFMQGKORCHHN-CEXWTWQISA-N 2 2 346.471 2.161 10 0 EEAELP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000595857517 469049104 /nfs/dbraw/zinc/04/91/04/469049104.db2.gz YJQFMQGKORCHHN-CEXWTWQISA-N 2 2 346.471 2.161 10 0 EEAELP COC(=O)[C@H]1C[C@@H]([NH+](C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000595857517 469049111 /nfs/dbraw/zinc/04/91/11/469049111.db2.gz YJQFMQGKORCHHN-CEXWTWQISA-N 2 2 346.471 2.161 10 0 EEAELP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598969317 469071522 /nfs/dbraw/zinc/07/15/22/469071522.db2.gz FHGQPCVPNKRPJW-INIZCTEOSA-N 2 2 328.478 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000573709368 469191351 /nfs/dbraw/zinc/19/13/51/469191351.db2.gz XCDXZIJPSDCSAC-RBSFLKMASA-N 2 2 342.443 2.354 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000573709368 469191355 /nfs/dbraw/zinc/19/13/55/469191355.db2.gz XCDXZIJPSDCSAC-RBSFLKMASA-N 2 2 342.443 2.354 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@]2(C)CC[NH2+]C2)c(C)c1 ZINC000612896779 469574328 /nfs/dbraw/zinc/57/43/28/469574328.db2.gz MIBCBBHEFJKIDU-IEBWSBKVSA-N 2 2 341.459 2.292 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH2+]CC[C@H]3CCCOC3)c2cc1C ZINC000629587109 469585833 /nfs/dbraw/zinc/58/58/33/469585833.db2.gz YFEWGBUAONEZBR-IAGOWNOFSA-N 2 2 331.460 2.420 10 0 EEAELP C[C@@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000629611779 469592518 /nfs/dbraw/zinc/59/25/18/469592518.db2.gz FUCQGAQTGFQGCS-COXVUDFISA-N 2 2 326.868 2.462 10 0 EEAELP C[C@@H](OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000629611779 469592515 /nfs/dbraw/zinc/59/25/15/469592515.db2.gz FUCQGAQTGFQGCS-COXVUDFISA-N 2 2 326.868 2.462 10 0 EEAELP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623364021 469635104 /nfs/dbraw/zinc/63/51/04/469635104.db2.gz PLWCFLHRWKUUEM-HXUWFJFHSA-N 3 2 344.547 2.396 10 0 EEAELP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623364021 469635129 /nfs/dbraw/zinc/63/51/29/469635129.db2.gz PLWCFLHRWKUUEM-HXUWFJFHSA-N 3 2 344.547 2.396 10 0 EEAELP C[NH+]1CC[C@H](NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1(C)C ZINC000623574718 469699092 /nfs/dbraw/zinc/69/90/92/469699092.db2.gz VNNDLLPUWKXWKY-VQTJNVASSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1(C)C ZINC000623574718 469699096 /nfs/dbraw/zinc/69/90/96/469699096.db2.gz VNNDLLPUWKXWKY-VQTJNVASSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CCN(Cc2ccccc2)[C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000623574718 469699100 /nfs/dbraw/zinc/69/91/00/469699100.db2.gz VNNDLLPUWKXWKY-VQTJNVASSA-N 2 2 344.547 2.265 10 0 EEAELP C[NH+]1CCN(Cc2ccccc2)[C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623574718 469699105 /nfs/dbraw/zinc/69/91/05/469699105.db2.gz VNNDLLPUWKXWKY-VQTJNVASSA-N 2 2 344.547 2.265 10 0 EEAELP CCC(=O)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617506652 469706311 /nfs/dbraw/zinc/70/63/11/469706311.db2.gz VFYMNBBGWBTZLE-HNNXBMFYSA-N 2 2 333.476 2.281 10 0 EEAELP CCC(=O)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617506652 469706317 /nfs/dbraw/zinc/70/63/17/469706317.db2.gz VFYMNBBGWBTZLE-HNNXBMFYSA-N 2 2 333.476 2.281 10 0 EEAELP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627004524 469786697 /nfs/dbraw/zinc/78/66/97/469786697.db2.gz LULNZCWVHQGPGN-LSDHHAIUSA-N 2 2 342.846 2.215 10 0 EEAELP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000627004524 469786701 /nfs/dbraw/zinc/78/67/01/469786701.db2.gz LULNZCWVHQGPGN-LSDHHAIUSA-N 2 2 342.846 2.215 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(O)ccc1C(F)(F)F ZINC000617764651 469796699 /nfs/dbraw/zinc/79/66/99/469796699.db2.gz BCJTXPNDVCKEPY-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(O)ccc1C(F)(F)F ZINC000617764651 469796702 /nfs/dbraw/zinc/79/67/02/469796702.db2.gz BCJTXPNDVCKEPY-UHFFFAOYSA-N 2 2 347.381 2.024 10 0 EEAELP c1[nH+]cn2c1c(N1CC[C@H](C[NH+]3CCOCC3)C1)nc1ccccc12 ZINC000623997124 469814776 /nfs/dbraw/zinc/81/47/76/469814776.db2.gz BZBXHWLNKBXTLF-OAHLLOKOSA-N 2 2 337.427 2.041 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000614091788 469847945 /nfs/dbraw/zinc/84/79/45/469847945.db2.gz BLFGZDQESAOATE-KGLIPLIRSA-N 2 2 325.453 2.068 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)CC2 ZINC000627284825 469866264 /nfs/dbraw/zinc/86/62/64/469866264.db2.gz LEDLOQPIFDEGTM-DOTOQJQBSA-N 2 2 344.434 2.312 10 0 EEAELP Cn1nc2c(c1CNc1ccc(N3CC[NH+](C)CC3)c[nH+]1)CCCC2 ZINC000630952431 470035921 /nfs/dbraw/zinc/03/59/21/470035921.db2.gz GSDYCBGKKBDPRJ-UHFFFAOYSA-N 2 2 340.475 2.058 10 0 EEAELP CC(C)c1nc2[nH]ccc2c(N2CCC([N@H+](C)CCCO)CC2)[nH+]1 ZINC000631119187 470073622 /nfs/dbraw/zinc/07/36/22/470073622.db2.gz LQQQKNSJHKVNDP-UHFFFAOYSA-N 2 2 331.464 2.364 10 0 EEAELP CC(C)c1nc2[nH]ccc2c(N2CCC([N@@H+](C)CCCO)CC2)[nH+]1 ZINC000631119187 470073625 /nfs/dbraw/zinc/07/36/25/470073625.db2.gz LQQQKNSJHKVNDP-UHFFFAOYSA-N 2 2 331.464 2.364 10 0 EEAELP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CCO1 ZINC000631160002 470083101 /nfs/dbraw/zinc/08/31/01/470083101.db2.gz FRVOHMRWOIDCAN-OALUTQOASA-N 2 2 348.487 2.445 10 0 EEAELP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631951067 470192630 /nfs/dbraw/zinc/19/26/30/470192630.db2.gz XABWKUSTMMSJRF-MJGOQNOKSA-N 2 2 338.455 2.358 10 0 EEAELP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631951067 470192631 /nfs/dbraw/zinc/19/26/31/470192631.db2.gz XABWKUSTMMSJRF-MJGOQNOKSA-N 2 2 338.455 2.358 10 0 EEAELP O[C@@H](C[NH+]1CC(Cc2ccco2)C1)C[N@@H+]1CCc2ccccc2C1 ZINC000634651119 470275158 /nfs/dbraw/zinc/27/51/58/470275158.db2.gz FCVKXFWGOLIGCI-LJQANCHMSA-N 2 2 326.440 2.173 10 0 EEAELP O[C@@H](C[NH+]1CC(Cc2ccco2)C1)C[N@H+]1CCc2ccccc2C1 ZINC000634651119 470275159 /nfs/dbraw/zinc/27/51/59/470275159.db2.gz FCVKXFWGOLIGCI-LJQANCHMSA-N 2 2 326.440 2.173 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634708915 470283353 /nfs/dbraw/zinc/28/33/53/470283353.db2.gz AXWUOHMMQKSMDC-CDHQVMDDSA-N 2 2 347.503 2.109 10 0 EEAELP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645667258 470375630 /nfs/dbraw/zinc/37/56/30/470375630.db2.gz YJSGFWSEVMOOTB-ZFWWWQNUSA-N 2 2 346.466 2.088 10 0 EEAELP C[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)CC(F)F ZINC000645667258 470375633 /nfs/dbraw/zinc/37/56/33/470375633.db2.gz YJSGFWSEVMOOTB-ZFWWWQNUSA-N 2 2 346.466 2.088 10 0 EEAELP Cc1[nH+]c2ccccc2n1C[C@H]1CCCN1C(=O)NC/C=C\C[NH3+] ZINC000641870134 470505885 /nfs/dbraw/zinc/50/58/85/470505885.db2.gz PLNCJVDYIWQMHL-FOSCPCJNSA-N 2 2 327.432 2.034 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000633605243 470527668 /nfs/dbraw/zinc/52/76/68/470527668.db2.gz POYDTDLGXIWOFN-KRWDZBQOSA-N 2 2 326.444 2.404 10 0 EEAELP [NH3+]C1CCC(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000638113550 470970196 /nfs/dbraw/zinc/97/01/96/470970196.db2.gz LARSQYULHYTQMS-FHERZECASA-N 2 2 345.491 2.378 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651662647 471076292 /nfs/dbraw/zinc/07/62/92/471076292.db2.gz IUAHCBTUDOFGKD-MRXNPFEDSA-N 2 2 340.471 2.399 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC000651662647 471076299 /nfs/dbraw/zinc/07/62/99/471076299.db2.gz IUAHCBTUDOFGKD-MRXNPFEDSA-N 2 2 340.471 2.399 10 0 EEAELP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@H](C)O1 ZINC000657295756 471088959 /nfs/dbraw/zinc/08/89/59/471088959.db2.gz XHOHTFRKAATGDM-TXEJJXNPSA-N 2 2 334.386 2.028 10 0 EEAELP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C[C@H](C)O1 ZINC000657295756 471088962 /nfs/dbraw/zinc/08/89/62/471088962.db2.gz XHOHTFRKAATGDM-TXEJJXNPSA-N 2 2 334.386 2.028 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)[C@H](C)C1 ZINC000657363456 471114811 /nfs/dbraw/zinc/11/48/11/471114811.db2.gz OQUPYEWGRTXHOG-CRAIPNDOSA-N 2 2 335.496 2.230 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C3CCC3)nn2)[C@H](C)C1 ZINC000657363456 471114818 /nfs/dbraw/zinc/11/48/18/471114818.db2.gz OQUPYEWGRTXHOG-CRAIPNDOSA-N 2 2 335.496 2.230 10 0 EEAELP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3n[nH]c4ccccc43)cc2)C1 ZINC000657595586 471179509 /nfs/dbraw/zinc/17/95/09/471179509.db2.gz RFVNUSSQCRXDQR-KRWDZBQOSA-N 2 2 336.439 2.419 10 0 EEAELP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3n[nH]c4ccccc43)cc2)C1 ZINC000657595586 471179512 /nfs/dbraw/zinc/17/95/12/471179512.db2.gz RFVNUSSQCRXDQR-KRWDZBQOSA-N 2 2 336.439 2.419 10 0 EEAELP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000658056481 471263509 /nfs/dbraw/zinc/26/35/09/471263509.db2.gz LMHXRSHUZLOCJS-DZGCQCFKSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000658056481 471263512 /nfs/dbraw/zinc/26/35/12/471263512.db2.gz LMHXRSHUZLOCJS-DZGCQCFKSA-N 2 2 339.505 2.118 10 0 EEAELP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000658341921 471290366 /nfs/dbraw/zinc/29/03/66/471290366.db2.gz KPRUNRRUHVXTCO-LPHOPBHVSA-N 2 2 341.503 2.195 10 0 EEAELP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000658341921 471290367 /nfs/dbraw/zinc/29/03/67/471290367.db2.gz KPRUNRRUHVXTCO-LPHOPBHVSA-N 2 2 341.503 2.195 10 0 EEAELP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658340548 471290380 /nfs/dbraw/zinc/29/03/80/471290380.db2.gz CIVDGBFOLGXUHM-MOPGFXCFSA-N 2 2 329.488 2.104 10 0 EEAELP C[N@H+]1CCN(Cc2ccccc2)[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000658340548 471290381 /nfs/dbraw/zinc/29/03/81/471290381.db2.gz CIVDGBFOLGXUHM-MOPGFXCFSA-N 2 2 329.488 2.104 10 0 EEAELP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000666233707 471323969 /nfs/dbraw/zinc/32/39/69/471323969.db2.gz UMANHWVXFQQVDE-KRWDZBQOSA-N 2 2 338.455 2.427 10 0 EEAELP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000666233707 471323971 /nfs/dbraw/zinc/32/39/71/471323971.db2.gz UMANHWVXFQQVDE-KRWDZBQOSA-N 2 2 338.455 2.427 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@@H+]3CCO[C@H](C)C3)c2cc1OC ZINC000663518933 471409632 /nfs/dbraw/zinc/40/96/32/471409632.db2.gz ZDSPQBKTAXTLTN-CYBMUJFWSA-N 2 2 331.416 2.385 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@H+]3CCO[C@H](C)C3)c2cc1OC ZINC000663518933 471409634 /nfs/dbraw/zinc/40/96/34/471409634.db2.gz ZDSPQBKTAXTLTN-CYBMUJFWSA-N 2 2 331.416 2.385 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000667035961 471630190 /nfs/dbraw/zinc/63/01/90/471630190.db2.gz WKTXYAQTLCGJLA-INIZCTEOSA-N 2 2 326.444 2.283 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000667035961 471630193 /nfs/dbraw/zinc/63/01/93/471630193.db2.gz WKTXYAQTLCGJLA-INIZCTEOSA-N 2 2 326.444 2.283 10 0 EEAELP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000667035961 471630196 /nfs/dbraw/zinc/63/01/96/471630196.db2.gz WKTXYAQTLCGJLA-INIZCTEOSA-N 2 2 326.444 2.283 10 0 EEAELP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000667035961 471630201 /nfs/dbraw/zinc/63/02/01/471630201.db2.gz WKTXYAQTLCGJLA-INIZCTEOSA-N 2 2 326.444 2.283 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1[nH+]ccn1C ZINC000667257356 471712472 /nfs/dbraw/zinc/71/24/72/471712472.db2.gz JJPLYSHLUGIUDK-ZBFHGGJFSA-N 2 2 327.432 2.179 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1[nH+]ccn1C ZINC000667257356 471712479 /nfs/dbraw/zinc/71/24/79/471712479.db2.gz JJPLYSHLUGIUDK-ZBFHGGJFSA-N 2 2 327.432 2.179 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000661401592 471743946 /nfs/dbraw/zinc/74/39/46/471743946.db2.gz CBDKZZCKFFXKSH-INIZCTEOSA-N 2 2 345.491 2.094 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000661401592 471743951 /nfs/dbraw/zinc/74/39/51/471743951.db2.gz CBDKZZCKFFXKSH-INIZCTEOSA-N 2 2 345.491 2.094 10 0 EEAELP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)C1CCC(F)CC1 ZINC000664540084 471787340 /nfs/dbraw/zinc/78/73/40/471787340.db2.gz UFCYPIYKYMHNMV-FHERZECASA-N 2 2 342.503 2.228 10 0 EEAELP COCCCOC1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667658406 471857515 /nfs/dbraw/zinc/85/75/15/471857515.db2.gz FOUZFHZSIYSMDY-UHFFFAOYSA-N 2 2 330.432 2.285 10 0 EEAELP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)C1CC1 ZINC000661869181 471909609 /nfs/dbraw/zinc/90/96/09/471909609.db2.gz RRSFWDWJCYYERV-QGZVFWFLSA-N 2 2 336.524 2.425 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCC[C@H]1CCc2ccccc21 ZINC000664980119 471917848 /nfs/dbraw/zinc/91/78/48/471917848.db2.gz DWNMVKDMGNDWEJ-GOSISDBHSA-N 2 2 346.519 2.289 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCC[C@H]1CCc2ccccc21 ZINC000664980119 471917855 /nfs/dbraw/zinc/91/78/55/471917855.db2.gz DWNMVKDMGNDWEJ-GOSISDBHSA-N 2 2 346.519 2.289 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317101 472067432 /nfs/dbraw/zinc/06/74/32/472067432.db2.gz MWKLIDDCPFKKHT-IBGZPJMESA-N 2 2 347.503 2.078 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317101 472067438 /nfs/dbraw/zinc/06/74/38/472067438.db2.gz MWKLIDDCPFKKHT-IBGZPJMESA-N 2 2 347.503 2.078 10 0 EEAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320662 472069689 /nfs/dbraw/zinc/06/96/89/472069689.db2.gz VSBRAXDNNUXLSZ-XMTFNYHQSA-N 2 2 339.524 2.207 10 0 EEAELP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662320662 472069692 /nfs/dbraw/zinc/06/96/92/472069692.db2.gz VSBRAXDNNUXLSZ-XMTFNYHQSA-N 2 2 339.524 2.207 10 0 EEAELP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000662426797 472105762 /nfs/dbraw/zinc/10/57/62/472105762.db2.gz CXWQZNCOJRPHJG-CQSZACIVSA-N 2 2 329.404 2.232 10 0 EEAELP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000662726519 472223404 /nfs/dbraw/zinc/22/34/04/472223404.db2.gz JGMHSUYFQOTEPR-IAGOWNOFSA-N 2 2 335.517 2.266 10 0 EEAELP CC1(C)CC[NH2+][C@H]1C(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000662811497 472263068 /nfs/dbraw/zinc/26/30/68/472263068.db2.gz YRFBHZZTQMZQTA-INIZCTEOSA-N 2 2 335.879 2.202 10 0 EEAELP CC1(C)CC[NH2+][C@H]1C(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000662811497 472263074 /nfs/dbraw/zinc/26/30/74/472263074.db2.gz YRFBHZZTQMZQTA-INIZCTEOSA-N 2 2 335.879 2.202 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000673664467 485492079 /nfs/dbraw/zinc/49/20/79/485492079.db2.gz AQBYNTYKQPUVOX-SCTDSRPQSA-N 2 2 344.503 2.425 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccn1 ZINC000673664467 485492085 /nfs/dbraw/zinc/49/20/85/485492085.db2.gz AQBYNTYKQPUVOX-SCTDSRPQSA-N 2 2 344.503 2.425 10 0 EEAELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000673664467 485492092 /nfs/dbraw/zinc/49/20/92/485492092.db2.gz AQBYNTYKQPUVOX-SCTDSRPQSA-N 2 2 344.503 2.425 10 0 EEAELP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000673664467 485492099 /nfs/dbraw/zinc/49/20/99/485492099.db2.gz AQBYNTYKQPUVOX-SCTDSRPQSA-N 2 2 344.503 2.425 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000683918336 485685322 /nfs/dbraw/zinc/68/53/22/485685322.db2.gz GRDNPVCGJOZBGM-CQSZACIVSA-N 2 2 326.444 2.250 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)c1c[nH]c[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000683918336 485685328 /nfs/dbraw/zinc/68/53/28/485685328.db2.gz GRDNPVCGJOZBGM-CQSZACIVSA-N 2 2 326.444 2.250 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)c1c[nH+]c[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000683918336 485685334 /nfs/dbraw/zinc/68/53/34/485685334.db2.gz GRDNPVCGJOZBGM-CQSZACIVSA-N 2 2 326.444 2.250 10 0 EEAELP C[C@H](CNC(=O)C(C)(C)c1c[nH+]c[nH]1)[N@H+]1CCc2ccccc2C1 ZINC000683918336 485685341 /nfs/dbraw/zinc/68/53/41/485685341.db2.gz GRDNPVCGJOZBGM-CQSZACIVSA-N 2 2 326.444 2.250 10 0 EEAELP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000675254971 485940200 /nfs/dbraw/zinc/94/02/00/485940200.db2.gz DAERPZYALFOHAU-AZUAARDMSA-N 2 2 342.487 2.358 10 0 EEAELP Cc1nn(C)cc1[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000675254971 485940205 /nfs/dbraw/zinc/94/02/05/485940205.db2.gz DAERPZYALFOHAU-AZUAARDMSA-N 2 2 342.487 2.358 10 0 EEAELP Cc1nn(C)cc1[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000675254971 485940209 /nfs/dbraw/zinc/94/02/09/485940209.db2.gz DAERPZYALFOHAU-AZUAARDMSA-N 2 2 342.487 2.358 10 0 EEAELP Cc1nn(C)cc1[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000675254971 485940216 /nfs/dbraw/zinc/94/02/16/485940216.db2.gz DAERPZYALFOHAU-AZUAARDMSA-N 2 2 342.487 2.358 10 0 EEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000684843555 486016704 /nfs/dbraw/zinc/01/67/04/486016704.db2.gz HEOASQCBRIGHMK-ZBFHGGJFSA-N 2 2 344.434 2.243 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)C1 ZINC000676540976 486254826 /nfs/dbraw/zinc/25/48/26/486254826.db2.gz NVDSULQOJNQHCL-VQIMIIECSA-N 2 2 344.503 2.374 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)C1 ZINC000676540976 486254832 /nfs/dbraw/zinc/25/48/32/486254832.db2.gz NVDSULQOJNQHCL-VQIMIIECSA-N 2 2 344.503 2.374 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678285377 486611701 /nfs/dbraw/zinc/61/17/01/486611701.db2.gz ZLBHMDZNDFZYST-INIZCTEOSA-N 2 2 334.439 2.406 10 0 EEAELP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000678285377 486611707 /nfs/dbraw/zinc/61/17/07/486611707.db2.gz ZLBHMDZNDFZYST-INIZCTEOSA-N 2 2 334.439 2.406 10 0 EEAELP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(C)nc3)cc2)CC1 ZINC000339281410 490745545 /nfs/dbraw/zinc/74/55/45/490745545.db2.gz WDTHNQABXRMALT-UHFFFAOYSA-N 2 2 339.487 2.212 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1C ZINC000174307309 533890543 /nfs/dbraw/zinc/89/05/43/533890543.db2.gz TZFAQXINDRLNFM-NVXWUHKLSA-N 2 2 341.459 2.496 10 0 EEAELP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1C ZINC000174307309 533890551 /nfs/dbraw/zinc/89/05/51/533890551.db2.gz TZFAQXINDRLNFM-NVXWUHKLSA-N 2 2 341.459 2.496 10 0 EEAELP CCN(CC)C(=O)c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422812519 535475315 /nfs/dbraw/zinc/47/53/15/535475315.db2.gz QOHUIKYKDASSAC-RBUKOAKNSA-N 2 2 345.487 2.025 10 0 EEAELP CCC[N@@H+]1Cc2cccc(NC(=S)NCC[NH+]3CCOCC3)c2C1 ZINC000727289787 576419440 /nfs/dbraw/zinc/41/94/40/576419440.db2.gz OTHIYNUHMIVHCD-UHFFFAOYSA-N 2 2 348.516 2.031 10 0 EEAELP CCC[N@H+]1Cc2cccc(NC(=S)NCC[NH+]3CCOCC3)c2C1 ZINC000727289787 576419442 /nfs/dbraw/zinc/41/94/42/576419442.db2.gz OTHIYNUHMIVHCD-UHFFFAOYSA-N 2 2 348.516 2.031 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000746676091 577932228 /nfs/dbraw/zinc/93/22/28/577932228.db2.gz RURHWPSUXKPBQH-LJQANCHMSA-N 2 2 343.475 2.200 10 0 EEAELP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC000746676091 577932229 /nfs/dbraw/zinc/93/22/29/577932229.db2.gz RURHWPSUXKPBQH-LJQANCHMSA-N 2 2 343.475 2.200 10 0 EEAELP COc1ccc(COCC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931289666 684928912 /nfs/dbraw/zinc/92/89/12/684928912.db2.gz AUEWHRGTZGJJLD-UHFFFAOYSA-N 2 2 348.487 2.399 10 0 EEAELP COc1ccc(COCC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931289666 684928913 /nfs/dbraw/zinc/92/89/13/684928913.db2.gz AUEWHRGTZGJJLD-UHFFFAOYSA-N 2 2 348.487 2.399 10 0 EEAELP C[C@@H](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001485698587 1191904153 /nfs/dbraw/zinc/90/41/53/1191904153.db2.gz SUPZMORRGFXKJZ-YDHLFZDLSA-N 2 2 340.418 2.364 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]CCCc2ccsc2)C1 ZINC001485697932 1191904229 /nfs/dbraw/zinc/90/42/29/1191904229.db2.gz ZDNMDJDQXIYXJO-SHTZXODSSA-N 2 2 332.473 2.131 10 0 EEAELP CC(C)[C@@H](CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CCC1 ZINC001485786500 1191952156 /nfs/dbraw/zinc/95/21/56/1191952156.db2.gz PKIYUKYAIZNNEC-SJLPKXTDSA-N 2 2 332.492 2.366 10 0 EEAELP CCCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266520030 1176722540 /nfs/dbraw/zinc/72/25/40/1176722540.db2.gz DOHKLPOIMFKUJB-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP CCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001266520030 1176722543 /nfs/dbraw/zinc/72/25/43/1176722543.db2.gz DOHKLPOIMFKUJB-IRXDYDNUSA-N 2 2 332.492 2.464 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001671347041 1176944212 /nfs/dbraw/zinc/94/42/12/1176944212.db2.gz NAGXESMIOYCRNJ-YNEHKIRRSA-N 2 2 344.381 2.057 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)oc1C ZINC001266724561 1177309107 /nfs/dbraw/zinc/30/91/07/1177309107.db2.gz SNIDMBFEOZLYQU-KRWDZBQOSA-N 2 2 348.491 2.246 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)oc1C ZINC001266724561 1177309114 /nfs/dbraw/zinc/30/91/14/1177309114.db2.gz SNIDMBFEOZLYQU-KRWDZBQOSA-N 2 2 348.491 2.246 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC001691111690 1177596141 /nfs/dbraw/zinc/59/61/41/1177596141.db2.gz AHJMUFNTPCFMIP-MRXNPFEDSA-N 2 2 338.411 2.410 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC001691111690 1177596148 /nfs/dbraw/zinc/59/61/48/1177596148.db2.gz AHJMUFNTPCFMIP-MRXNPFEDSA-N 2 2 338.411 2.410 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CCCc1ccsc1 ZINC001266948818 1177875383 /nfs/dbraw/zinc/87/53/83/1177875383.db2.gz LQWUDEBIZGXBSR-ZBFHGGJFSA-N 2 2 346.500 2.234 10 0 EEAELP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH+]ccc2OC)C1 ZINC001267047571 1178147454 /nfs/dbraw/zinc/14/74/54/1178147454.db2.gz OMFLHYQHZIOYAF-APHBUQMISA-N 2 2 331.460 2.427 10 0 EEAELP C[C@@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCOC1CCC1 ZINC001267138010 1178312444 /nfs/dbraw/zinc/31/24/44/1178312444.db2.gz KEOIZKFBURWRSL-AWEZNQCLSA-N 2 2 330.432 2.001 10 0 EEAELP Cc1conc1C[N@@H+]1CCC[C@@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001267172088 1178400709 /nfs/dbraw/zinc/40/07/09/1178400709.db2.gz VLPVKNOPFRADBF-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1conc1C[N@H+]1CCC[C@@H]1CCCNC(=O)CCn1cc[nH+]c1 ZINC001267172088 1178400713 /nfs/dbraw/zinc/40/07/13/1178400713.db2.gz VLPVKNOPFRADBF-INIZCTEOSA-N 2 2 345.447 2.131 10 0 EEAELP CC/C=C/CC[N@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001267198322 1178479285 /nfs/dbraw/zinc/47/92/85/1178479285.db2.gz LQJXFGVTNAKFBI-FUTAKVPZSA-N 2 2 333.480 2.194 10 0 EEAELP CC/C=C/CC[N@@H+](C)CCNC(=O)c1cc([C@H]2CCC[NH+]2C)n[nH]1 ZINC001267198322 1178479290 /nfs/dbraw/zinc/47/92/90/1178479290.db2.gz LQJXFGVTNAKFBI-FUTAKVPZSA-N 2 2 333.480 2.194 10 0 EEAELP CC/C=C/CC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001267198322 1178479291 /nfs/dbraw/zinc/47/92/91/1178479291.db2.gz LQJXFGVTNAKFBI-FUTAKVPZSA-N 2 2 333.480 2.194 10 0 EEAELP CC/C=C/CC[NH+](C)CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001267198322 1178479294 /nfs/dbraw/zinc/47/92/94/1178479294.db2.gz LQJXFGVTNAKFBI-FUTAKVPZSA-N 2 2 333.480 2.194 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H](C)c1nc2ccccc2o1 ZINC001267257236 1178626733 /nfs/dbraw/zinc/62/67/33/1178626733.db2.gz SLLBEEVHIZUPQA-CQSZACIVSA-N 2 2 341.415 2.224 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)[C@H](C)c1nc2ccccc2o1 ZINC001267257236 1178626737 /nfs/dbraw/zinc/62/67/37/1178626737.db2.gz SLLBEEVHIZUPQA-CQSZACIVSA-N 2 2 341.415 2.224 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)s1)C(=O)CCn1cc[nH+]c1 ZINC001267410346 1178972682 /nfs/dbraw/zinc/97/26/82/1178972682.db2.gz HVBYMGBFPCDLTH-UHFFFAOYSA-N 2 2 326.853 2.236 10 0 EEAELP CCn1ccc(C[N@H+](CC)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)n1 ZINC001481004874 1179465206 /nfs/dbraw/zinc/46/52/06/1179465206.db2.gz JZJORCLWBXITCE-GOSISDBHSA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[N@@H+](CC)CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)n1 ZINC001481004874 1179465209 /nfs/dbraw/zinc/46/52/09/1179465209.db2.gz JZJORCLWBXITCE-GOSISDBHSA-N 2 2 349.523 2.104 10 0 EEAELP CCn1ccc(C[NH+](CC)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)n1 ZINC001481004874 1179465213 /nfs/dbraw/zinc/46/52/13/1179465213.db2.gz JZJORCLWBXITCE-GOSISDBHSA-N 2 2 349.523 2.104 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1nccs1 ZINC001481044002 1179615411 /nfs/dbraw/zinc/61/54/11/1179615411.db2.gz HWNVRCRGTKTLNO-LSDHHAIUSA-N 2 2 336.505 2.098 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1Cc1nccs1 ZINC001481044002 1179615415 /nfs/dbraw/zinc/61/54/15/1179615415.db2.gz HWNVRCRGTKTLNO-LSDHHAIUSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1nccs1 ZINC001481044002 1179615418 /nfs/dbraw/zinc/61/54/18/1179615418.db2.gz HWNVRCRGTKTLNO-LSDHHAIUSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[N@H+]1Cc1nccs1 ZINC001481044002 1179615422 /nfs/dbraw/zinc/61/54/22/1179615422.db2.gz HWNVRCRGTKTLNO-LSDHHAIUSA-N 2 2 336.505 2.098 10 0 EEAELP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001481067319 1179675366 /nfs/dbraw/zinc/67/53/66/1179675366.db2.gz OZCKDPFSPOKSEK-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(Cl)nc1 ZINC001481067319 1179675368 /nfs/dbraw/zinc/67/53/68/1179675368.db2.gz OZCKDPFSPOKSEK-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nc1 ZINC001481067319 1179675370 /nfs/dbraw/zinc/67/53/70/1179675370.db2.gz OZCKDPFSPOKSEK-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+]1Cc1ccc(Cl)nc1 ZINC001481067319 1179675373 /nfs/dbraw/zinc/67/53/73/1179675373.db2.gz OZCKDPFSPOKSEK-OAHLLOKOSA-N 2 2 338.883 2.157 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+]2CCCC2)co1 ZINC001481073006 1179676985 /nfs/dbraw/zinc/67/69/85/1179676985.db2.gz CSWUGBQQIZHUNV-GOSISDBHSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+]2CCCC2)co1 ZINC001481073006 1179676989 /nfs/dbraw/zinc/67/69/89/1179676989.db2.gz CSWUGBQQIZHUNV-GOSISDBHSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@@H]3CC[N@@H+](CC[C@@H](C)F)C3)[nH+]c12 ZINC001481114143 1179769264 /nfs/dbraw/zinc/76/92/64/1179769264.db2.gz HJWJNHWATGIBGF-CVEARBPZSA-N 2 2 346.450 2.371 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@@H]3CC[N@H+](CC[C@@H](C)F)C3)[nH+]c12 ZINC001481114143 1179769269 /nfs/dbraw/zinc/76/92/69/1179769269.db2.gz HJWJNHWATGIBGF-CVEARBPZSA-N 2 2 346.450 2.371 10 0 EEAELP CN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001481238110 1180395616 /nfs/dbraw/zinc/39/56/16/1180395616.db2.gz VOVXRZBLBXIPSH-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP CN(CC[NH2+]Cc1ccc2ncccc2c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001481238110 1180395623 /nfs/dbraw/zinc/39/56/23/1180395623.db2.gz VOVXRZBLBXIPSH-UHFFFAOYSA-N 2 2 337.427 2.139 10 0 EEAELP Cc1ccncc1C[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267901315 1180729291 /nfs/dbraw/zinc/72/92/91/1180729291.db2.gz YRSBNLGQLIOMIQ-KRWDZBQOSA-N 2 2 341.459 2.005 10 0 EEAELP C[C@H](F)CC[NH2+]C[C@H]1CCCN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001267955684 1180833272 /nfs/dbraw/zinc/83/32/72/1180833272.db2.gz CZZQOMYCWWSGOL-GOEBONIOSA-N 2 2 336.455 2.091 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]Cc1cccc(Cl)n1)n1cc[nH+]c1 ZINC001481286040 1180851319 /nfs/dbraw/zinc/85/13/19/1180851319.db2.gz ZODKWIUZYPACFW-CYBMUJFWSA-N 2 2 335.839 2.131 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC001481366612 1181136096 /nfs/dbraw/zinc/13/60/96/1181136096.db2.gz ZALBJRFFGVZNLC-GOSISDBHSA-N 2 2 339.439 2.490 10 0 EEAELP CCOCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268282416 1182152934 /nfs/dbraw/zinc/15/29/34/1182152934.db2.gz XLMXOXLRZIHIAC-UKRRQHHQSA-N 2 2 330.432 2.088 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001268287536 1182166715 /nfs/dbraw/zinc/16/67/15/1182166715.db2.gz HCXCWERIBMAEAN-GHMZBOCLSA-N 2 2 331.247 2.146 10 0 EEAELP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268365217 1182337689 /nfs/dbraw/zinc/33/76/89/1182337689.db2.gz DCGIEMVNACJJSU-NJKKUKIKSA-N 2 2 339.871 2.027 10 0 EEAELP C[C@H](CC[NH2+]C/C=C/Cl)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001268365217 1182337693 /nfs/dbraw/zinc/33/76/93/1182337693.db2.gz DCGIEMVNACJJSU-NJKKUKIKSA-N 2 2 339.871 2.027 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)CCc1c[nH]c[nH+]1 ZINC001268369103 1182356666 /nfs/dbraw/zinc/35/66/66/1182356666.db2.gz QYVXVBLUGDETNI-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cccc(F)c1F)NC(=O)CCc1c[nH+]c[nH]1 ZINC001268369103 1182356677 /nfs/dbraw/zinc/35/66/77/1182356677.db2.gz QYVXVBLUGDETNI-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001481861006 1182827284 /nfs/dbraw/zinc/82/72/84/1182827284.db2.gz HCCRZBNQXYAMHG-MAUKXSAKSA-N 2 2 340.471 2.242 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@@H]2CCCN(C(=O)Cn3cc[nH+]c3)C2)s1 ZINC001481991319 1183098537 /nfs/dbraw/zinc/09/85/37/1183098537.db2.gz MSEYMRSCDTZNEA-HNNXBMFYSA-N 2 2 347.488 2.067 10 0 EEAELP CCOCCC[NH2+]C[C@H]1CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001482058416 1183263891 /nfs/dbraw/zinc/26/38/91/1183263891.db2.gz CROYLAYDIBGNAL-OAHLLOKOSA-N 2 2 330.432 2.184 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1 ZINC001268597794 1183496982 /nfs/dbraw/zinc/49/69/82/1183496982.db2.gz ATBXOYINWVBMAD-XYBNCVKDSA-N 2 2 330.476 2.431 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1 ZINC001268597794 1183496985 /nfs/dbraw/zinc/49/69/85/1183496985.db2.gz ATBXOYINWVBMAD-XYBNCVKDSA-N 2 2 330.476 2.431 10 0 EEAELP C[C@@H]1CCC[C@H](CC[NH2+]C/C=C/CNC(=O)Cc2c[nH+]cn2C)C1 ZINC001268614001 1183525483 /nfs/dbraw/zinc/52/54/83/1183525483.db2.gz RRWHFBOIGAWGLZ-MULDZMIYSA-N 2 2 332.492 2.441 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268664837 1183595092 /nfs/dbraw/zinc/59/50/92/1183595092.db2.gz KAPQMRHJWRQEKJ-HPRJGHKQSA-N 2 2 326.444 2.396 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268664837 1183595094 /nfs/dbraw/zinc/59/50/94/1183595094.db2.gz KAPQMRHJWRQEKJ-HPRJGHKQSA-N 2 2 326.444 2.396 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001269785710 1184622402 /nfs/dbraw/zinc/62/24/02/1184622402.db2.gz PFTCGAKPTOYBHO-MRXNPFEDSA-N 2 2 341.459 2.074 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]CCOC1CCC1 ZINC001482460682 1185924769 /nfs/dbraw/zinc/92/47/69/1185924769.db2.gz DHAWXWUWFVIDCF-INIZCTEOSA-N 2 2 348.491 2.191 10 0 EEAELP CCCCC[NH+]1CCC2(CN(C(=O)CCc3c[nH+]cn3C)C2)CC1 ZINC001280394553 1186174517 /nfs/dbraw/zinc/17/45/17/1186174517.db2.gz QOYBRCQHGDAVHV-UHFFFAOYSA-N 2 2 332.492 2.467 10 0 EEAELP C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001271529401 1186293401 /nfs/dbraw/zinc/29/34/01/1186293401.db2.gz FLPKCFKSQNHTIN-SJLPKXTDSA-N 2 2 340.471 2.412 10 0 EEAELP CCOCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001271750881 1186460009 /nfs/dbraw/zinc/46/00/09/1186460009.db2.gz WHCDJFDDNNQHPI-BJWYYQGGSA-N 2 2 348.491 2.046 10 0 EEAELP CC(C)[C@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CCC1CC1 ZINC001482530592 1186520666 /nfs/dbraw/zinc/52/06/66/1186520666.db2.gz CUMVXXXOYDSRKB-KRWDZBQOSA-N 2 2 332.492 2.292 10 0 EEAELP CC(C)[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001482556747 1186728987 /nfs/dbraw/zinc/72/89/87/1186728987.db2.gz LTWHTIXVIGBXMF-SFHVURJKSA-N 2 2 339.443 2.364 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C1C[NH+](Cc2ccccc2Cl)C1 ZINC001409926531 1193449117 /nfs/dbraw/zinc/44/91/17/1193449117.db2.gz MXGJWELJHAAYGV-CQSZACIVSA-N 2 2 346.862 2.482 10 0 EEAELP CC[C@@H](F)C[N@H+](C)CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001482628075 1187453489 /nfs/dbraw/zinc/45/34/89/1187453489.db2.gz BXSMNWFCIUNSEZ-CQSZACIVSA-N 2 2 340.443 2.022 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)CCN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001482628075 1187453493 /nfs/dbraw/zinc/45/34/93/1187453493.db2.gz BXSMNWFCIUNSEZ-CQSZACIVSA-N 2 2 340.443 2.022 10 0 EEAELP CC(C)[C@@H](C(=O)N(C)CC[NH2+]Cc1ncc(C2CC2)o1)[NH+]1CCCC1 ZINC001691623269 1188322444 /nfs/dbraw/zinc/32/24/44/1188322444.db2.gz QJNWHFUMSJGYPR-SFHVURJKSA-N 2 2 348.491 2.220 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)s1 ZINC001409403704 1189630700 /nfs/dbraw/zinc/63/07/00/1189630700.db2.gz YLLFWVUWGAQGDW-NEPJUHHUSA-N 2 2 335.477 2.030 10 0 EEAELP Cc1cnc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)o1 ZINC001485929785 1193649298 /nfs/dbraw/zinc/64/92/98/1193649298.db2.gz DSZKHOUDHVETNS-HOCLYGCPSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001409579076 1190064190 /nfs/dbraw/zinc/06/41/90/1190064190.db2.gz KHBQSRYBOUYBDY-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001409579076 1190064193 /nfs/dbraw/zinc/06/41/93/1190064193.db2.gz KHBQSRYBOUYBDY-AEFFLSMTSA-N 2 2 340.471 2.391 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1F ZINC001409675890 1190176156 /nfs/dbraw/zinc/17/61/56/1190176156.db2.gz ZVVLKKBUCAUJJY-CABCVRRESA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1F ZINC001409675890 1190176158 /nfs/dbraw/zinc/17/61/58/1190176158.db2.gz ZVVLKKBUCAUJJY-CABCVRRESA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1F ZINC001409675890 1190176160 /nfs/dbraw/zinc/17/61/60/1190176160.db2.gz ZVVLKKBUCAUJJY-CABCVRRESA-N 2 2 346.450 2.407 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1F ZINC001409675890 1190176162 /nfs/dbraw/zinc/17/61/62/1190176162.db2.gz ZVVLKKBUCAUJJY-CABCVRRESA-N 2 2 346.450 2.407 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483351630 1190387074 /nfs/dbraw/zinc/38/70/74/1190387074.db2.gz AZGCKBXQEMWKPK-HOCLYGCPSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483351630 1190387079 /nfs/dbraw/zinc/38/70/79/1190387079.db2.gz AZGCKBXQEMWKPK-HOCLYGCPSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H](C[NH+](C)Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483351630 1190387082 /nfs/dbraw/zinc/38/70/82/1190387082.db2.gz AZGCKBXQEMWKPK-HOCLYGCPSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H](C[NH+](C)Cc1nc2ccccc2o1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483351630 1190387087 /nfs/dbraw/zinc/38/70/87/1190387087.db2.gz AZGCKBXQEMWKPK-HOCLYGCPSA-N 2 2 344.459 2.249 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483353600 1190390438 /nfs/dbraw/zinc/39/04/38/1190390438.db2.gz MJYCGCJHRBSVMQ-NSHDSACASA-N 2 2 327.388 2.110 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483353600 1190390443 /nfs/dbraw/zinc/39/04/43/1190390443.db2.gz MJYCGCJHRBSVMQ-NSHDSACASA-N 2 2 327.388 2.110 10 0 EEAELP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001483569540 1190558728 /nfs/dbraw/zinc/55/87/28/1190558728.db2.gz AJDGPXIHVJRSBV-YPZLONQISA-N 2 2 330.476 2.286 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1C ZINC001483664357 1190724193 /nfs/dbraw/zinc/72/41/93/1190724193.db2.gz PVBZPZAFDGDWGY-QGZVFWFLSA-N 2 2 330.407 2.030 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1Cc1cc(F)ccc1C ZINC001483664357 1190724194 /nfs/dbraw/zinc/72/41/94/1190724194.db2.gz PVBZPZAFDGDWGY-QGZVFWFLSA-N 2 2 330.407 2.030 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1CCc1ccccc1)n1cc[nH+]c1 ZINC001483683441 1190745569 /nfs/dbraw/zinc/74/55/69/1190745569.db2.gz ITEGAPDSXDTDAS-SJLPKXTDSA-N 2 2 326.444 2.267 10 0 EEAELP C[C@H](CC(=O)NC[C@H]1CC[N@H+]1CCc1ccccc1)n1cc[nH+]c1 ZINC001483683441 1190745572 /nfs/dbraw/zinc/74/55/72/1190745572.db2.gz ITEGAPDSXDTDAS-SJLPKXTDSA-N 2 2 326.444 2.267 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NCC1(C)CC[NH+](CCCF)CC1 ZINC001484138676 1191229446 /nfs/dbraw/zinc/22/94/46/1191229446.db2.gz IVZWQTRLKGDUIY-UHFFFAOYSA-N 2 2 337.439 2.211 10 0 EEAELP CN(C[C@@H]1CC[N@@H+]1CCCCCF)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001691647200 1191343192 /nfs/dbraw/zinc/34/31/92/1191343192.db2.gz XWJRSBAVUYAVOU-WBVHZDCISA-N 2 2 336.455 2.118 10 0 EEAELP CN(C[C@@H]1CC[N@H+]1CCCCCF)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001691647200 1191343194 /nfs/dbraw/zinc/34/31/94/1191343194.db2.gz XWJRSBAVUYAVOU-WBVHZDCISA-N 2 2 336.455 2.118 10 0 EEAELP CN(CCC[N@H+](C)C/C=C\c1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001484769956 1191513317 /nfs/dbraw/zinc/51/33/17/1191513317.db2.gz RYMQAEYDCIIDLI-POHAHGRESA-N 2 2 326.444 2.377 10 0 EEAELP CN(CCC[N@@H+](C)C/C=C\c1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC001484769956 1191513318 /nfs/dbraw/zinc/51/33/18/1191513318.db2.gz RYMQAEYDCIIDLI-POHAHGRESA-N 2 2 326.444 2.377 10 0 EEAELP C[N@@H+](Cc1ccon1)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001485078099 1191646097 /nfs/dbraw/zinc/64/60/97/1191646097.db2.gz FJIAQOADDLXCIC-GOSISDBHSA-N 2 2 348.491 2.364 10 0 EEAELP C[N@H+](Cc1ccon1)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001485078099 1191646099 /nfs/dbraw/zinc/64/60/99/1191646099.db2.gz FJIAQOADDLXCIC-GOSISDBHSA-N 2 2 348.491 2.364 10 0 EEAELP CCO[C@H](C[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001485329678 1191737478 /nfs/dbraw/zinc/73/74/78/1191737478.db2.gz VURCJXQBLCFYSL-WMLDXEAASA-N 2 2 344.459 2.200 10 0 EEAELP CCO[C@H](C[N@@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001485329678 1191737479 /nfs/dbraw/zinc/73/74/79/1191737479.db2.gz VURCJXQBLCFYSL-WMLDXEAASA-N 2 2 344.459 2.200 10 0 EEAELP Cc1ncoc1C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001485391673 1191770784 /nfs/dbraw/zinc/77/07/84/1191770784.db2.gz YLUUEFDQDFQQKN-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485391673 1191770786 /nfs/dbraw/zinc/77/07/86/1191770786.db2.gz YLUUEFDQDFQQKN-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001485391673 1191770788 /nfs/dbraw/zinc/77/07/88/1191770788.db2.gz YLUUEFDQDFQQKN-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP Cc1ncoc1C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001485391673 1191770790 /nfs/dbraw/zinc/77/07/90/1191770790.db2.gz YLUUEFDQDFQQKN-HNNXBMFYSA-N 2 2 344.459 2.052 10 0 EEAELP C[C@@H]1CC[C@@H](C[NH2+]CC2(NC(=O)CCc3c[nH]c[nH+]3)CCCCC2)O1 ZINC001485449298 1191788942 /nfs/dbraw/zinc/78/89/42/1191788942.db2.gz KMSDCJHWBRHQEJ-WBVHZDCISA-N 2 2 348.491 2.319 10 0 EEAELP C[C@@H]1CC[C@@H](C[NH2+]CC2(NC(=O)CCc3c[nH+]c[nH]3)CCCCC2)O1 ZINC001485449298 1191788943 /nfs/dbraw/zinc/78/89/43/1191788943.db2.gz KMSDCJHWBRHQEJ-WBVHZDCISA-N 2 2 348.491 2.319 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1Cc1cccc(F)c1F ZINC001486180508 1193717727 /nfs/dbraw/zinc/71/77/27/1193717727.db2.gz NGTLBOFNPRDALR-CJNGLKHVSA-N 2 2 339.430 2.386 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@H+]1Cc1cccc(F)c1F ZINC001486180508 1193717729 /nfs/dbraw/zinc/71/77/29/1193717729.db2.gz NGTLBOFNPRDALR-CJNGLKHVSA-N 2 2 339.430 2.386 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)co1 ZINC001486183717 1193722754 /nfs/dbraw/zinc/72/27/54/1193722754.db2.gz LGXIJTOYIZRDAN-YOEHRIQHSA-N 2 2 336.480 2.184 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]2C)co1 ZINC001486183717 1193722760 /nfs/dbraw/zinc/72/27/60/1193722760.db2.gz LGXIJTOYIZRDAN-YOEHRIQHSA-N 2 2 336.480 2.184 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1Cc1cccc2cccnc21)C(=O)Cn1cc[nH+]c1 ZINC001691683708 1197492586 /nfs/dbraw/zinc/49/25/86/1197492586.db2.gz SPAJNJAYHBQLLZ-GOSISDBHSA-N 2 2 349.438 2.164 10 0 EEAELP CN(C[C@H]1CC[N@H+]1Cc1cccc2cccnc21)C(=O)Cn1cc[nH+]c1 ZINC001691683708 1197492590 /nfs/dbraw/zinc/49/25/90/1197492590.db2.gz SPAJNJAYHBQLLZ-GOSISDBHSA-N 2 2 349.438 2.164 10 0 EEAELP CCC(CC)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001410103589 1197550142 /nfs/dbraw/zinc/55/01/42/1197550142.db2.gz BEKFDMATNCANRO-PILAGYSTSA-N 2 2 332.492 2.319 10 0 EEAELP 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ZINC001410930910 1198595923 /nfs/dbraw/zinc/59/59/23/1198595923.db2.gz QDPLGDRMJCGDBZ-LSDHHAIUSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1csc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]2C)n1 ZINC001410930910 1198595931 /nfs/dbraw/zinc/59/59/31/1198595931.db2.gz QDPLGDRMJCGDBZ-LSDHHAIUSA-N 2 2 338.521 2.261 10 0 EEAELP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@]3(CCO)CCOC3)CC2)cc1 ZINC000125679095 1199437920 /nfs/dbraw/zinc/43/79/20/1199437920.db2.gz NZDNRCSQOFQYDZ-HXUWFJFHSA-N 2 2 347.503 2.100 10 0 EEAELP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)n2)C1 ZINC000870859847 1200915800 /nfs/dbraw/zinc/91/58/00/1200915800.db2.gz ILYMKPBQYRZZJZ-FJZAXULXSA-N 2 2 334.489 2.441 10 0 EEAELP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)n2)C1 ZINC000870859847 1200915812 /nfs/dbraw/zinc/91/58/12/1200915812.db2.gz ILYMKPBQYRZZJZ-FJZAXULXSA-N 2 2 334.489 2.441 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000870911601 1200948290 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ATYVARGXIINVHE-QZTJIDSGSA-N 2 2 330.476 2.155 10 0 EEAELP CC(C)[C@H]1CN(C(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)CC[NH+]1C ZINC000869107408 1201941093 /nfs/dbraw/zinc/94/10/93/1201941093.db2.gz ATYVARGXIINVHE-QZTJIDSGSA-N 2 2 330.476 2.155 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)CCc1c[nH]c[nH+]1 ZINC001274082027 1204359468 /nfs/dbraw/zinc/35/94/68/1204359468.db2.gz GKAMQRLZNALSJP-NSCUHMNNSA-N 2 2 330.407 2.252 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C/C=C/CNC(=O)CCc1c[nH+]c[nH]1 ZINC001274082027 1204359469 /nfs/dbraw/zinc/35/94/69/1204359469.db2.gz GKAMQRLZNALSJP-NSCUHMNNSA-N 2 2 330.407 2.252 10 0 EEAELP C[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)(N2CCCCC2)CC1 ZINC000925513791 1206121519 /nfs/dbraw/zinc/12/15/19/1206121519.db2.gz LWIPURYBTQTVRO-GOSISDBHSA-N 3 2 334.552 2.201 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926406591 1206219029 /nfs/dbraw/zinc/21/90/29/1206219029.db2.gz DNVPMMIEQZGUOX-ROUUACIJSA-N 2 2 341.455 2.279 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926406591 1206219030 /nfs/dbraw/zinc/21/90/30/1206219030.db2.gz DNVPMMIEQZGUOX-ROUUACIJSA-N 2 2 341.455 2.279 10 0 EEAELP C[NH+]1CCC(OCC(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000930304656 1206548090 /nfs/dbraw/zinc/54/80/90/1206548090.db2.gz AYLXCPKVWARTAM-UHFFFAOYSA-N 2 2 332.379 2.061 10 0 EEAELP CCC1([NH+]2CCOCC2)CC[NH+](CCOC2CCSCC2)CC1 ZINC000931329402 1206625540 /nfs/dbraw/zinc/62/55/40/1206625540.db2.gz RYTZOITZMGILIM-UHFFFAOYSA-N 2 2 342.549 2.475 10 0 EEAELP CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931516843 1207403197 /nfs/dbraw/zinc/40/31/97/1207403197.db2.gz CCAYKWMELFADBA-CQSZACIVSA-N 2 2 330.476 2.307 10 0 EEAELP CC(C)(C)C(=O)N1CCC[C@H](C[N@H+]2CCc3[nH+]ccc(N)c3C2)C1 ZINC000931516843 1207403198 /nfs/dbraw/zinc/40/31/98/1207403198.db2.gz CCAYKWMELFADBA-CQSZACIVSA-N 2 2 330.476 2.307 10 0 EEAELP OC1(CCNc2cc[nH+]cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000717977512 1211682036 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341.459 2.160 10 0 EEAELP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000901307236 1235518316 /nfs/dbraw/zinc/51/83/16/1235518316.db2.gz MTPWNEMFLYYPKG-JKSUJKDBSA-N 2 2 341.459 2.160 10 0 EEAELP CC[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)N1CCOCC1 ZINC000902835616 1238660335 /nfs/dbraw/zinc/66/03/35/1238660335.db2.gz LIZALTDDLMTGFW-YJBOKZPZSA-N 2 2 342.443 2.160 10 0 EEAELP c1ccc(-c2ncc(C[N@@H+]3CC[NH2+]CCC34CCOCC4)cn2)cc1 ZINC000903818646 1242073257 /nfs/dbraw/zinc/07/32/57/1242073257.db2.gz QOAWZFUSCFVWPF-UHFFFAOYSA-N 2 2 338.455 2.488 10 0 EEAELP c1ccc(-c2ncc(C[N@H+]3CC[NH2+]CCC34CCOCC4)cn2)cc1 ZINC000903818646 1242073262 /nfs/dbraw/zinc/07/32/62/1242073262.db2.gz QOAWZFUSCFVWPF-UHFFFAOYSA-N 2 2 338.455 2.488 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cnn1C ZINC000903895646 1242370330 /nfs/dbraw/zinc/37/03/30/1242370330.db2.gz PMRBCRNCPYNYKQ-WRWLIDTKSA-N 2 2 342.487 2.308 10 0 EEAELP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)cnn1C ZINC000903895646 1242370341 /nfs/dbraw/zinc/37/03/41/1242370341.db2.gz PMRBCRNCPYNYKQ-WRWLIDTKSA-N 2 2 342.487 2.308 10 0 EEAELP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)c(C)s1 ZINC001491059969 1258621248 /nfs/dbraw/zinc/62/12/48/1258621248.db2.gz FMLCRUKOLVXPRH-TUKIKUTGSA-N 2 2 347.488 2.345 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)CCc1[nH+]ccn1C ZINC001273522367 1279124464 /nfs/dbraw/zinc/12/44/64/1279124464.db2.gz VRKUWDBBRCNYRQ-UHFFFAOYSA-N 2 2 332.423 2.130 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2nocc2C)C1 ZINC001490892328 1286458475 /nfs/dbraw/zinc/45/84/75/1286458475.db2.gz ASBLLMXGFRIYKY-RBSFLKMASA-N 2 2 345.447 2.130 10 0 EEAELP C[N@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H]1CCCOC1 ZINC001490213132 1291002844 /nfs/dbraw/zinc/00/28/44/1291002844.db2.gz CXSCWLWWSLDUOD-CQSZACIVSA-N 2 2 330.432 2.041 10 0 EEAELP C[N@@H+](CCCNC(=O)c1cc2c[nH+]ccc2[nH]1)C[C@H]1CCCOC1 ZINC001490213132 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ZINC001326658718 1334135763 /nfs/dbraw/zinc/13/57/63/1334135763.db2.gz OYZGLJDILSOWNO-QZTJIDSGSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[N@H+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001326658718 1334135766 /nfs/dbraw/zinc/13/57/66/1334135766.db2.gz OYZGLJDILSOWNO-QZTJIDSGSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001326658718 1334135770 /nfs/dbraw/zinc/13/57/70/1334135770.db2.gz OYZGLJDILSOWNO-QZTJIDSGSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH+]1CCOC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001326658718 1334135772 /nfs/dbraw/zinc/13/57/72/1334135772.db2.gz OYZGLJDILSOWNO-QZTJIDSGSA-N 2 2 339.524 2.257 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)NC1CC(C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001328870091 1334538107 /nfs/dbraw/zinc/53/81/07/1334538107.db2.gz ZXIWBIOQEAQCTB-UHFFFAOYSA-N 2 2 347.850 2.075 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)NC1CC(C[NH2+]Cc2cccc(Cl)n2)C1 ZINC001328870091 1334538112 /nfs/dbraw/zinc/53/81/12/1334538112.db2.gz ZXIWBIOQEAQCTB-UHFFFAOYSA-N 2 2 347.850 2.075 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CCCC2CCC2)C1 ZINC001330424947 1334841410 /nfs/dbraw/zinc/84/14/10/1334841410.db2.gz KZLOMUOOZRKKSP-QAPCUYQASA-N 2 2 348.491 2.046 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]CCc2ccc(Cl)cc2)C1 ZINC001330662772 1334884298 /nfs/dbraw/zinc/88/42/98/1334884298.db2.gz SQEDZDXMRPBENI-KOMQPUFPSA-N 2 2 346.862 2.333 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1F ZINC001330972520 1334938182 /nfs/dbraw/zinc/93/81/82/1334938182.db2.gz RJZDGRJGVBDWHN-ZDUSSCGKSA-N 2 2 332.423 2.474 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]CCCOC(C)C)[C@H]1C ZINC001331896689 1335669264 /nfs/dbraw/zinc/66/92/64/1335669264.db2.gz OETUBEQLRQMABC-WBVHZDCISA-N 2 2 349.475 2.027 10 0 EEAELP CC(C)c1ocnc1C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001333390747 1336030309 /nfs/dbraw/zinc/03/03/09/1336030309.db2.gz MGPWDYNBYRDQPJ-UHFFFAOYSA-N 2 2 348.491 2.388 10 0 EEAELP CC(C)c1ocnc1C[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001333390747 1336030314 /nfs/dbraw/zinc/03/03/14/1336030314.db2.gz MGPWDYNBYRDQPJ-UHFFFAOYSA-N 2 2 348.491 2.388 10 0 EEAELP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1)c1cc(F)ccc1F ZINC001436370189 1342056447 /nfs/dbraw/zinc/05/64/47/1342056447.db2.gz WKXLYGMNWKANMK-KCQAQPDRSA-N 2 2 348.397 2.407 10 0 EEAELP C[C@H](CC(=O)N[C@]1(C)CC[N@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001500263932 1342121131 /nfs/dbraw/zinc/12/11/31/1342121131.db2.gz HCAPAKOPLQRCOK-CZUORRHYSA-N 2 2 333.461 2.072 10 0 EEAELP C[C@H](CC(=O)N[C@]1(C)CC[N@@H+](Cc2cncs2)C1)n1cc[nH+]c1 ZINC001500263932 1342121134 /nfs/dbraw/zinc/12/11/34/1342121134.db2.gz HCAPAKOPLQRCOK-CZUORRHYSA-N 2 2 333.461 2.072 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2Cc1nc(C)oc1C ZINC001501404346 1342188757 /nfs/dbraw/zinc/18/87/57/1342188757.db2.gz QOTDGUPQCMEJQR-ROUUACIJSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2Cc1nc(C)oc1C ZINC001501404346 1342188758 /nfs/dbraw/zinc/18/87/58/1342188758.db2.gz QOTDGUPQCMEJQR-ROUUACIJSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1nc(C)oc1C ZINC001501404346 1342188760 /nfs/dbraw/zinc/18/87/60/1342188760.db2.gz QOTDGUPQCMEJQR-ROUUACIJSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1nc(C)oc1C ZINC001501404346 1342188763 /nfs/dbraw/zinc/18/87/63/1342188763.db2.gz QOTDGUPQCMEJQR-ROUUACIJSA-N 2 2 348.491 2.199 10 0 EEAELP CC(C)CCC[NH2+]CC1CC(NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001570564976 1343086324 /nfs/dbraw/zinc/08/63/24/1343086324.db2.gz NEDCWDHDQAXEES-CGZBRXJRSA-N 2 2 332.492 2.366 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1c1ccc(F)cc1 ZINC001649897117 1353641793 /nfs/dbraw/zinc/64/17/93/1353641793.db2.gz WYUJTEIDNOZHMB-JCGIZDLHSA-N 2 2 342.418 2.146 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1c1ccc(F)cc1 ZINC001649897117 1353641797 /nfs/dbraw/zinc/64/17/97/1353641797.db2.gz WYUJTEIDNOZHMB-JCGIZDLHSA-N 2 2 342.418 2.146 10 0 EEAELP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC001650022222 1353691503 /nfs/dbraw/zinc/69/15/03/1353691503.db2.gz OBJGHCAIAFLQKA-HNNXBMFYSA-N 2 2 332.492 2.272 10 0 EEAELP CNc1cc(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cc[nH+]1 ZINC001650549818 1353986594 /nfs/dbraw/zinc/98/65/94/1353986594.db2.gz FZNKMRBHDSIPKG-KRWDZBQOSA-N 2 2 341.459 2.095 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1CC[NH2+]Cc1cncs1 ZINC001656448879 1354238516 /nfs/dbraw/zinc/23/85/16/1354238516.db2.gz WMXYCZWDHNSZMH-UKRRQHHQSA-N 2 2 347.488 2.216 10 0 EEAELP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC001665642810 1355345877 /nfs/dbraw/zinc/34/58/77/1355345877.db2.gz ZPVITIFQFLYJAF-INIZCTEOSA-N 2 2 342.443 2.136 10 0 EEAELP CN(C(=O)c1cc2c[nH+]ccc2[nH]1)[C@H]1CC[N@@H+](CCOCC2CC2)C1 ZINC001665642810 1355345881 /nfs/dbraw/zinc/34/58/81/1355345881.db2.gz ZPVITIFQFLYJAF-INIZCTEOSA-N 2 2 342.443 2.136 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C\Cl)CCCC1)[C@H]1CCc2c[nH+]cn2C1 ZINC001665933696 1355411647 /nfs/dbraw/zinc/41/16/47/1355411647.db2.gz JPONQCMYIOVBGO-FCIQKIPGSA-N 2 2 336.867 2.217 10 0 EEAELP CC(C)C[C@@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cn1cc[nH+]c1 ZINC001667123489 1355652168 /nfs/dbraw/zinc/65/21/68/1355652168.db2.gz GCVWVTUZKWQTRK-HNNXBMFYSA-N 2 2 349.866 2.252 10 0 EEAELP C[C@H](CC[NH2+]Cc1cncc(F)c1)NC(=O)c1cccc2[nH+]ccn21 ZINC001668137026 1355881516 /nfs/dbraw/zinc/88/15/16/1355881516.db2.gz DXMRFUDCYRKBGH-CYBMUJFWSA-N 2 2 341.390 2.167 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccsc1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001669668670 1356192336 /nfs/dbraw/zinc/19/23/36/1356192336.db2.gz JPOGDGDLKJMACF-NUEKZKHPSA-N 2 2 346.500 2.312 10 0 EEAELP Cc1ncoc1C[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001672876066 1356605298 /nfs/dbraw/zinc/60/52/98/1356605298.db2.gz WOKVVOUEKWJXMC-GDBMZVCRSA-N 2 2 345.447 2.159 10 0 EEAELP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001674839536 1356902010 /nfs/dbraw/zinc/90/20/10/1356902010.db2.gz HHAIYQCPWVJDRC-YVARQFDVSA-N 2 2 338.883 2.272 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001675467502 1356989543 /nfs/dbraw/zinc/98/95/43/1356989543.db2.gz HONCCHIWSZBWAF-CQSZACIVSA-N 2 2 338.883 2.013 10 0 EEAELP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(Cl)nc2)CC1(C)C ZINC001675467502 1356989547 /nfs/dbraw/zinc/98/95/47/1356989547.db2.gz HONCCHIWSZBWAF-CQSZACIVSA-N 2 2 338.883 2.013 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001698972197 1405194537 /nfs/dbraw/zinc/19/45/37/1405194537.db2.gz PXIUNKWFAMQLSH-CHWSQXEVSA-N 2 2 345.274 2.419 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001699697523 1405450308 /nfs/dbraw/zinc/45/03/08/1405450308.db2.gz PAPBXEJMVOUSFT-IBGZPJMESA-N 2 2 348.491 2.002 10 0 EEAELP CCOCCC[N@H+]1CCC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001699697523 1405450314 /nfs/dbraw/zinc/45/03/14/1405450314.db2.gz PAPBXEJMVOUSFT-IBGZPJMESA-N 2 2 348.491 2.002 10 0 EEAELP CN(C(=O)C1(F)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000843575569 759866406 /nfs/dbraw/zinc/86/64/06/759866406.db2.gz XKOKPPFDLHJNTK-HZPDHXFCSA-N 2 2 325.472 2.284 10 0 EEAELP CN(C(=O)C1(F)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000843575569 759866415 /nfs/dbraw/zinc/86/64/15/759866415.db2.gz XKOKPPFDLHJNTK-HZPDHXFCSA-N 2 2 325.472 2.284 10 0 EEAELP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1nc(C(F)(F)F)cs1)CC2 ZINC000923452302 789584910 /nfs/dbraw/zinc/58/49/10/789584910.db2.gz PQMNTMQZDOTFFU-JTQLQIEISA-N 2 2 335.395 2.492 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)[C@](C)(O)c2ccccc2)CC1 ZINC000846038806 790033572 /nfs/dbraw/zinc/03/35/72/790033572.db2.gz QLHIBKFSUANPJW-JXFKEZNVSA-N 2 2 348.487 2.290 10 0 EEAELP C[C@H](CC(=O)N[C@H]1CC[N@H+](CCOCC2CCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001566105759 1125561169 /nfs/dbraw/zinc/56/11/69/1125561169.db2.gz QOIFCUGFHFYDHD-NUJGCVRESA-N 2 2 348.491 2.230 10 0 EEAELP C[C@H](CC(=O)N[C@H]1CC[N@@H+](CCOCC2CCC2)[C@@H]1C)n1cc[nH+]c1 ZINC001566105759 1125561175 /nfs/dbraw/zinc/56/11/75/1125561175.db2.gz QOIFCUGFHFYDHD-NUJGCVRESA-N 2 2 348.491 2.230 10 0 EEAELP CC1CC(C[N@H+](CCCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C2CC2)C1 ZINC001566590721 1125781087 /nfs/dbraw/zinc/78/10/87/1125781087.db2.gz UOHGNYZJLFOEPV-JCYILVPMSA-N 2 2 344.503 2.462 10 0 EEAELP CC1CC(C[N@@H+](CCCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C2CC2)C1 ZINC001566590721 1125781092 /nfs/dbraw/zinc/78/10/92/1125781092.db2.gz UOHGNYZJLFOEPV-JCYILVPMSA-N 2 2 344.503 2.462 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001436742610 1088224370 /nfs/dbraw/zinc/22/43/70/1088224370.db2.gz GEQATXHFIOWMMH-MRXNPFEDSA-N 2 2 330.476 2.124 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001436742610 1088224385 /nfs/dbraw/zinc/22/43/85/1088224385.db2.gz GEQATXHFIOWMMH-MRXNPFEDSA-N 2 2 330.476 2.124 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)s1 ZINC001436962370 1088652795 /nfs/dbraw/zinc/65/27/95/1088652795.db2.gz CKGZILHZIXDRPX-DFBGVHRSSA-N 2 2 347.488 2.345 10 0 EEAELP C[C@@H](CCNC(=O)Cn1cc[nH+]c1)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC001437427376 1089718867 /nfs/dbraw/zinc/71/88/67/1089718867.db2.gz JJYNGNORRZCHPT-KBPBESRZSA-N 2 2 328.407 2.193 10 0 EEAELP Cc1cc(C[N@H+](C)CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)sn1 ZINC001437481014 1089824803 /nfs/dbraw/zinc/82/48/03/1089824803.db2.gz CMHGYOLTQBGOSN-HOCLYGCPSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[N@@H+](C)CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)sn1 ZINC001437481014 1089824820 /nfs/dbraw/zinc/82/48/20/1089824820.db2.gz CMHGYOLTQBGOSN-HOCLYGCPSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)sn1 ZINC001437481014 1089824839 /nfs/dbraw/zinc/82/48/39/1089824839.db2.gz CMHGYOLTQBGOSN-HOCLYGCPSA-N 2 2 336.505 2.016 10 0 EEAELP Cc1cc(C[NH+](C)CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)sn1 ZINC001437481014 1089824850 /nfs/dbraw/zinc/82/48/50/1089824850.db2.gz CMHGYOLTQBGOSN-HOCLYGCPSA-N 2 2 336.505 2.016 10 0 EEAELP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1c(F)cccc1F ZINC001437684132 1090222379 /nfs/dbraw/zinc/22/23/79/1090222379.db2.gz FKLSOKINUFIARW-CQSZACIVSA-N 2 2 339.430 2.387 10 0 EEAELP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1c(F)cccc1F ZINC001437684132 1090222382 /nfs/dbraw/zinc/22/23/82/1090222382.db2.gz FKLSOKINUFIARW-CQSZACIVSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1F ZINC001437684132 1090222388 /nfs/dbraw/zinc/22/23/88/1090222388.db2.gz FKLSOKINUFIARW-CQSZACIVSA-N 2 2 339.430 2.387 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1c(F)cccc1F ZINC001437684132 1090222393 /nfs/dbraw/zinc/22/23/93/1090222393.db2.gz FKLSOKINUFIARW-CQSZACIVSA-N 2 2 339.430 2.387 10 0 EEAELP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2nccs2)C1 ZINC001437904440 1090485688 /nfs/dbraw/zinc/48/56/88/1090485688.db2.gz IKBJCMYVAPGDEA-OAHLLOKOSA-N 2 2 348.516 2.052 10 0 EEAELP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](Cc2nccs2)C1 ZINC001437904440 1090485689 /nfs/dbraw/zinc/48/56/89/1090485689.db2.gz IKBJCMYVAPGDEA-OAHLLOKOSA-N 2 2 348.516 2.052 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001437963927 1090559278 /nfs/dbraw/zinc/55/92/78/1090559278.db2.gz YOINZPUHTVTDBE-SFHVURJKSA-N 2 2 326.444 2.220 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@H](CCNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001437963927 1090559280 /nfs/dbraw/zinc/55/92/80/1090559280.db2.gz YOINZPUHTVTDBE-SFHVURJKSA-N 2 2 326.444 2.220 10 0 EEAELP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001438237488 1090717003 /nfs/dbraw/zinc/71/70/03/1090717003.db2.gz BMOGNYBEVUSGBL-ZDUSSCGKSA-N 2 2 341.858 2.464 10 0 EEAELP CN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001438237488 1090717004 /nfs/dbraw/zinc/71/70/04/1090717004.db2.gz BMOGNYBEVUSGBL-ZDUSSCGKSA-N 2 2 341.858 2.464 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccc(C)cc1 ZINC001438331649 1090806200 /nfs/dbraw/zinc/80/62/00/1090806200.db2.gz BMLAGVKUGUMJES-ROUUACIJSA-N 2 2 340.471 2.439 10 0 EEAELP CCO[C@H](C[NH2+]C[C@@H](C)N(C)C(=O)c1cccc2[nH+]ccn21)C1CC1 ZINC001438677326 1091171493 /nfs/dbraw/zinc/17/14/93/1091171493.db2.gz XFJQMGRAIVDOQT-RHSMWYFYSA-N 2 2 344.459 2.200 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001439262673 1091915050 /nfs/dbraw/zinc/91/50/50/1091915050.db2.gz GKNHBUJJIIBGAV-KGLIPLIRSA-N 2 2 332.423 2.352 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001439262673 1091915057 /nfs/dbraw/zinc/91/50/57/1091915057.db2.gz GKNHBUJJIIBGAV-KGLIPLIRSA-N 2 2 332.423 2.352 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)CCCn1cc[nH+]c1 ZINC001439295155 1091957813 /nfs/dbraw/zinc/95/78/13/1091957813.db2.gz XMTLQWQBQHMYKK-MAUKXSAKSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1nsc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001439404225 1092162670 /nfs/dbraw/zinc/16/26/70/1092162670.db2.gz VQCGJASNRHBNIA-LBPRGKRZSA-N 2 2 349.504 2.063 10 0 EEAELP Cc1nsc(C)c1C[N@H+](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001439404225 1092162676 /nfs/dbraw/zinc/16/26/76/1092162676.db2.gz VQCGJASNRHBNIA-LBPRGKRZSA-N 2 2 349.504 2.063 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2cc3ccccc3o2)C1 ZINC001439545892 1092415056 /nfs/dbraw/zinc/41/50/56/1092415056.db2.gz JPLGNEVXELNEQR-RDJZCZTQSA-N 2 2 341.455 2.465 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2cc3ccccc3o2)C1 ZINC001439545892 1092415064 /nfs/dbraw/zinc/41/50/64/1092415064.db2.gz JPLGNEVXELNEQR-RDJZCZTQSA-N 2 2 341.455 2.465 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2cc3ccccc3o2)C1 ZINC001439545892 1092415070 /nfs/dbraw/zinc/41/50/70/1092415070.db2.gz JPLGNEVXELNEQR-RDJZCZTQSA-N 2 2 341.455 2.465 10 0 EEAELP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2cc3ccccc3o2)C1 ZINC001439545892 1092415072 /nfs/dbraw/zinc/41/50/72/1092415072.db2.gz JPLGNEVXELNEQR-RDJZCZTQSA-N 2 2 341.455 2.465 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC([N@H+](CCC2CC2)CC2CC2)CC1 ZINC001446305171 1092478315 /nfs/dbraw/zinc/47/83/15/1092478315.db2.gz MQXSMBFNTRMLCT-UHFFFAOYSA-N 2 2 330.476 2.455 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC([N@@H+](CCC2CC2)CC2CC2)CC1 ZINC001446305171 1092478318 /nfs/dbraw/zinc/47/83/18/1092478318.db2.gz MQXSMBFNTRMLCT-UHFFFAOYSA-N 2 2 330.476 2.455 10 0 EEAELP Cc1ccc(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)cc1 ZINC001439618120 1092528718 /nfs/dbraw/zinc/52/87/18/1092528718.db2.gz IRINVBMSEWLIFX-IAGOWNOFSA-N 2 2 338.455 2.303 10 0 EEAELP Cc1ccc(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)cc1 ZINC001439618120 1092528732 /nfs/dbraw/zinc/52/87/32/1092528732.db2.gz IRINVBMSEWLIFX-IAGOWNOFSA-N 2 2 338.455 2.303 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)CCc2c[nH+]cn2C)CC1)c1ccc(F)cc1 ZINC001439672554 1092612749 /nfs/dbraw/zinc/61/27/49/1092612749.db2.gz YNVGSVYRBIPQKB-CQSZACIVSA-N 2 2 344.434 2.491 10 0 EEAELP Cc1cc(C[NH+]2CCC[C@](C)(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)no1 ZINC001439939257 1093037716 /nfs/dbraw/zinc/03/77/16/1093037716.db2.gz KVBTZHOZMZCVAC-PKOBYXMFSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cc(C[NH+]2CCC[C@](C)(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)no1 ZINC001439939257 1093037732 /nfs/dbraw/zinc/03/77/32/1093037732.db2.gz KVBTZHOZMZCVAC-PKOBYXMFSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cc(C[N@H+]2CCC[C@](C)(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)no1 ZINC001439939257 1093037740 /nfs/dbraw/zinc/03/77/40/1093037740.db2.gz KVBTZHOZMZCVAC-PKOBYXMFSA-N 2 2 348.491 2.186 10 0 EEAELP Cc1cc(C[N@@H+]2CCC[C@](C)(CNC(=O)[C@@H]3CCCC[NH+]3C)C2)no1 ZINC001439939257 1093037745 /nfs/dbraw/zinc/03/77/45/1093037745.db2.gz KVBTZHOZMZCVAC-PKOBYXMFSA-N 2 2 348.491 2.186 10 0 EEAELP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001440348571 1093500945 /nfs/dbraw/zinc/50/09/45/1093500945.db2.gz ZLJAVWHASBPWHH-JYJNAYRXSA-N 2 2 332.492 2.292 10 0 EEAELP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)CCCn3cc[nH+]c3)CC2)o1 ZINC001440614132 1093880751 /nfs/dbraw/zinc/88/07/51/1093880751.db2.gz WCTJDRGNYWYDAP-UHFFFAOYSA-N 2 2 345.447 2.131 10 0 EEAELP C[C@@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)[C@@H](C)[NH2+]CC1CCCC1 ZINC001440815947 1094068975 /nfs/dbraw/zinc/06/89/75/1094068975.db2.gz WYTZGXDLVLEMMQ-HUUCEWRRSA-N 2 2 332.492 2.435 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001449062380 1094077752 /nfs/dbraw/zinc/07/77/52/1094077752.db2.gz UATDEIXJFOXOJN-ZFWWWQNUSA-N 2 2 332.473 2.479 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1CC[C@H](C[NH2+]Cc2ccsc2)C1 ZINC001449062380 1094077757 /nfs/dbraw/zinc/07/77/57/1094077757.db2.gz UATDEIXJFOXOJN-ZFWWWQNUSA-N 2 2 332.473 2.479 10 0 EEAELP CC(C)CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C(F)(F)F ZINC001449371551 1094339996 /nfs/dbraw/zinc/33/99/96/1094339996.db2.gz UTLWSEHIEGJLTN-KBPBESRZSA-N 2 2 346.397 2.298 10 0 EEAELP Cc1ncccc1C[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001441249488 1094640785 /nfs/dbraw/zinc/64/07/85/1094640785.db2.gz HUVKCRIYMRGUQV-QGZVFWFLSA-N 2 2 341.459 2.003 10 0 EEAELP Cc1ncccc1C[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2)C(C)(C)C1 ZINC001441249488 1094640790 /nfs/dbraw/zinc/64/07/90/1094640790.db2.gz HUVKCRIYMRGUQV-QGZVFWFLSA-N 2 2 341.459 2.003 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441286556 1094713854 /nfs/dbraw/zinc/71/38/54/1094713854.db2.gz VQZRWXVMPFEUGX-DDBAPUKQSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441286556 1094713864 /nfs/dbraw/zinc/71/38/64/1094713864.db2.gz VQZRWXVMPFEUGX-DDBAPUKQSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001441286556 1094713875 /nfs/dbraw/zinc/71/38/75/1094713875.db2.gz VQZRWXVMPFEUGX-DDBAPUKQSA-N 2 2 332.492 2.319 10 0 EEAELP CC(C)CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)Cc3c[nH+]c[nH]3)[C@@H]2C1 ZINC001441286556 1094713882 /nfs/dbraw/zinc/71/38/82/1094713882.db2.gz VQZRWXVMPFEUGX-DDBAPUKQSA-N 2 2 332.492 2.319 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001441861284 1095963764 /nfs/dbraw/zinc/96/37/64/1095963764.db2.gz CXFXFLKRJGCBLZ-NVXWUHKLSA-N 2 2 326.444 2.048 10 0 EEAELP CC(C)N(CC[N@H+](C)CC[C@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC001442135410 1096379237 /nfs/dbraw/zinc/37/92/37/1096379237.db2.gz WJDVEJTVHUEAOT-QGZVFWFLSA-N 2 2 336.480 2.011 10 0 EEAELP CC(C)N(CC[N@@H+](C)CC[C@H]1CCCCO1)C(=O)Cn1cc[nH+]c1 ZINC001442135410 1096379246 /nfs/dbraw/zinc/37/92/46/1096379246.db2.gz WJDVEJTVHUEAOT-QGZVFWFLSA-N 2 2 336.480 2.011 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001442898570 1097299486 /nfs/dbraw/zinc/29/94/86/1097299486.db2.gz RPSBMVYRYYRJIZ-CABCVRRESA-N 2 2 345.422 2.007 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001442898570 1097299491 /nfs/dbraw/zinc/29/94/91/1097299491.db2.gz RPSBMVYRYYRJIZ-CABCVRRESA-N 2 2 345.422 2.007 10 0 EEAELP Cc1ccc(/C=C\C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001443782486 1098271310 /nfs/dbraw/zinc/27/13/10/1098271310.db2.gz VQUALNNNJBWCJF-LIXSYLKWSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1ccc(/C=C\C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC001443782486 1098271316 /nfs/dbraw/zinc/27/13/16/1098271316.db2.gz VQUALNNNJBWCJF-LIXSYLKWSA-N 2 2 342.487 2.030 10 0 EEAELP CO[C@@H](C[NH2+][C@@H]1CCCCCN(C(=O)Cc2[nH]cc[nH+]2)C1)C1CCC1 ZINC001479691079 1098752510 /nfs/dbraw/zinc/75/25/10/1098752510.db2.gz GVKWBSMFMRJCAG-SJORKVTESA-N 2 2 348.491 2.128 10 0 EEAELP CC[N@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1sc(C)nc1C ZINC001479860021 1099167726 /nfs/dbraw/zinc/16/77/26/1099167726.db2.gz ZSMGOQUXEJNDTJ-UHFFFAOYSA-N 2 2 349.504 2.362 10 0 EEAELP CC[N@@H+](CCCNC(=O)Cc1[nH]c[nH+]c1C)Cc1sc(C)nc1C ZINC001479860021 1099167735 /nfs/dbraw/zinc/16/77/35/1099167735.db2.gz ZSMGOQUXEJNDTJ-UHFFFAOYSA-N 2 2 349.504 2.362 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001444639091 1099466858 /nfs/dbraw/zinc/46/68/58/1099466858.db2.gz OXZOTWVQASGLKJ-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP CCc1nc(C)c(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)n2cc[nH+]c2)o1 ZINC001444679262 1099523354 /nfs/dbraw/zinc/52/33/54/1099523354.db2.gz GSSWZRYKWBNWNV-KGLIPLIRSA-N 2 2 347.463 2.330 10 0 EEAELP CC[C@H](F)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001480095906 1099657602 /nfs/dbraw/zinc/65/76/02/1099657602.db2.gz COPNECCTYFBMOT-CAOSSQGBSA-N 2 2 331.451 2.090 10 0 EEAELP CC[C@H](F)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C[NH+](CC)CC ZINC001480095906 1099657606 /nfs/dbraw/zinc/65/76/06/1099657606.db2.gz COPNECCTYFBMOT-CAOSSQGBSA-N 2 2 331.451 2.090 10 0 EEAELP Cc1ncccc1C[NH2+][C@@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C(C)C ZINC001444909328 1099977937 /nfs/dbraw/zinc/97/79/37/1099977937.db2.gz IGKPBHNYRYGDIC-QAPCUYQASA-N 2 2 343.475 2.468 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001444981484 1100108983 /nfs/dbraw/zinc/10/89/83/1100108983.db2.gz YYVCFJWBBOKHLW-UHFFFAOYSA-N 2 2 338.521 2.298 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001444981484 1100108987 /nfs/dbraw/zinc/10/89/87/1100108987.db2.gz YYVCFJWBBOKHLW-UHFFFAOYSA-N 2 2 338.521 2.298 10 0 EEAELP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001480489300 1100301253 /nfs/dbraw/zinc/30/12/53/1100301253.db2.gz HDBJTTMORRRYII-YJBOKZPZSA-N 2 2 340.471 2.302 10 0 EEAELP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)o1 ZINC001480548559 1100383439 /nfs/dbraw/zinc/38/34/39/1100383439.db2.gz LHLJFXYRCSFLJT-HOCLYGCPSA-N 2 2 336.480 2.094 10 0 EEAELP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)o1 ZINC001480548559 1100383445 /nfs/dbraw/zinc/38/34/45/1100383445.db2.gz LHLJFXYRCSFLJT-HOCLYGCPSA-N 2 2 336.480 2.094 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]Cc2ccc(F)cc2F)CCCC1 ZINC001495212708 1100895713 /nfs/dbraw/zinc/89/57/13/1100895713.db2.gz XDONROPSYCAXEZ-UHFFFAOYSA-N 2 2 348.397 2.380 10 0 EEAELP CC1(NC(=O)Cn2cc[nH+]c2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001446476147 1100901963 /nfs/dbraw/zinc/90/19/63/1100901963.db2.gz GPYMQWIAHMVBPX-UHFFFAOYSA-N 2 2 330.407 2.193 10 0 EEAELP C[C@H](CC(=O)N[C@]1(C)CC[N@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001446552151 1101023690 /nfs/dbraw/zinc/02/36/90/1101023690.db2.gz ICIHXFGXOKXRJR-TZMCWYRMSA-N 2 2 332.370 2.367 10 0 EEAELP C[C@H](CC(=O)N[C@]1(C)CC[N@@H+](CCC(F)(F)F)C1)n1cc[nH+]c1 ZINC001446552151 1101023701 /nfs/dbraw/zinc/02/37/01/1101023701.db2.gz ICIHXFGXOKXRJR-TZMCWYRMSA-N 2 2 332.370 2.367 10 0 EEAELP CC(C)=CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1)C(C)C ZINC001496562649 1101164688 /nfs/dbraw/zinc/16/46/88/1101164688.db2.gz SUQRFLMOZWTINE-ROUUACIJSA-N 2 2 347.507 2.487 10 0 EEAELP CC(C)=CC[NH2+][C@@H](CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1)C(C)C ZINC001496562649 1101164690 /nfs/dbraw/zinc/16/46/90/1101164690.db2.gz SUQRFLMOZWTINE-ROUUACIJSA-N 2 2 347.507 2.487 10 0 EEAELP CC(C)CC[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001495497345 1101207504 /nfs/dbraw/zinc/20/75/04/1101207504.db2.gz IGQJSTWHTQFKSR-UHFFFAOYSA-N 2 2 328.460 2.415 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001495668663 1101409690 /nfs/dbraw/zinc/40/96/90/1101409690.db2.gz OMZYEOUSPWQFEJ-RHSMWYFYSA-N 2 2 333.480 2.098 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001495668663 1101409696 /nfs/dbraw/zinc/40/96/96/1101409696.db2.gz OMZYEOUSPWQFEJ-RHSMWYFYSA-N 2 2 333.480 2.098 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001495675179 1101420441 /nfs/dbraw/zinc/42/04/41/1101420441.db2.gz BVNCBJIKLFMZDG-CQSZACIVSA-N 2 2 339.443 2.366 10 0 EEAELP C[C@@H](CNC(=O)CCc1c[nH+]c[nH]1)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001495675179 1101420450 /nfs/dbraw/zinc/42/04/50/1101420450.db2.gz BVNCBJIKLFMZDG-CQSZACIVSA-N 2 2 339.443 2.366 10 0 EEAELP CCOCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001496888683 1101670220 /nfs/dbraw/zinc/67/02/20/1101670220.db2.gz FPGPDVPKVZHGDX-HOCLYGCPSA-N 2 2 344.459 2.478 10 0 EEAELP CC(=O)NCC[NH+]1CCC([NH2+]CCc2c(F)cccc2Cl)CC1 ZINC001446989335 1101712962 /nfs/dbraw/zinc/71/29/62/1101712962.db2.gz JQWLPERVOZKTHO-UHFFFAOYSA-N 2 2 341.858 2.212 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2cscn2)CC1 ZINC001447148703 1102084460 /nfs/dbraw/zinc/08/44/60/1102084460.db2.gz IKGTULVILWSPBB-HZPDHXFCSA-N 2 2 348.516 2.050 10 0 EEAELP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2cscn2)CC1 ZINC001447148703 1102084470 /nfs/dbraw/zinc/08/44/70/1102084470.db2.gz IKGTULVILWSPBB-HZPDHXFCSA-N 2 2 348.516 2.050 10 0 EEAELP C[C@@H](CC[NH2+]Cc1ccc(F)c(F)c1)NC(=O)CCn1cc[nH+]c1 ZINC001497247059 1102188745 /nfs/dbraw/zinc/18/87/45/1102188745.db2.gz MZAZQSMIYSGDLQ-ZDUSSCGKSA-N 2 2 336.386 2.236 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1 ZINC001497684184 1102899242 /nfs/dbraw/zinc/89/92/42/1102899242.db2.gz XTKYXSSYDUGFFD-MLMMWPPISA-N 2 2 342.487 2.366 10 0 EEAELP C[C@@H](F)CC[N@@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001447585334 1102921463 /nfs/dbraw/zinc/92/14/63/1102921463.db2.gz GEPBMZLVKVXYRH-ZBFHGGJFSA-N 2 2 338.471 2.318 10 0 EEAELP C[C@@H](F)CC[N@H+]1CC[C@H](NC(=O)CCc2c[nH+]cn2C)C(C)(C)C1 ZINC001447585334 1102921471 /nfs/dbraw/zinc/92/14/71/1102921471.db2.gz GEPBMZLVKVXYRH-ZBFHGGJFSA-N 2 2 338.471 2.318 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C\C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001497713459 1102953347 /nfs/dbraw/zinc/95/33/47/1102953347.db2.gz HNVGEJQPWQVOPJ-QGZUEGPWSA-N 2 2 338.455 2.019 10 0 EEAELP Cc1cnc(C[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)o1 ZINC001497765579 1103062415 /nfs/dbraw/zinc/06/24/15/1103062415.db2.gz RXOQODHMYYLCMO-DUMMIQTOSA-N 2 2 348.491 2.256 10 0 EEAELP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497816080 1103142156 /nfs/dbraw/zinc/14/21/56/1103142156.db2.gz JWEAXXLFFCWNBD-UKRRQHHQSA-N 2 2 334.464 2.019 10 0 EEAELP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ncc(C2CC2)o1 ZINC001497816080 1103142163 /nfs/dbraw/zinc/14/21/63/1103142163.db2.gz JWEAXXLFFCWNBD-UKRRQHHQSA-N 2 2 334.464 2.019 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](C[C@H](OC)C2CCC2)C1 ZINC001493966143 1103215740 /nfs/dbraw/zinc/21/57/40/1103215740.db2.gz AYGJUCJJAUUDGG-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC001493966143 1103215746 /nfs/dbraw/zinc/21/57/46/1103215746.db2.gz AYGJUCJJAUUDGG-MSOLQXFVSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1nc(C[NH2+]CC2CC(NC(=O)CCc3c[nH]c[nH+]3)C2)sc1C ZINC001447798751 1103359304 /nfs/dbraw/zinc/35/93/04/1103359304.db2.gz RYDVEACQMGGQGE-UHFFFAOYSA-N 2 2 347.488 2.100 10 0 EEAELP Cc1nc(C[NH2+]CC2CC(NC(=O)CCc3c[nH+]c[nH]3)C2)sc1C ZINC001447798751 1103359321 /nfs/dbraw/zinc/35/93/21/1103359321.db2.gz RYDVEACQMGGQGE-UHFFFAOYSA-N 2 2 347.488 2.100 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[NH2+]CCCc1ccc(C)cc1 ZINC001497970990 1103438357 /nfs/dbraw/zinc/43/83/57/1103438357.db2.gz INXAXRKDRJQHIV-OAHLLOKOSA-N 2 2 328.460 2.296 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001494075120 1103478487 /nfs/dbraw/zinc/47/84/87/1103478487.db2.gz VCTOBZYOILXQNT-QGZVFWFLSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001494075120 1103478490 /nfs/dbraw/zinc/47/84/90/1103478490.db2.gz VCTOBZYOILXQNT-QGZVFWFLSA-N 2 2 330.476 2.291 10 0 EEAELP COc1cccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001448137678 1104085050 /nfs/dbraw/zinc/08/50/50/1104085050.db2.gz DIUVUONSUKJBRM-HUUCEWRRSA-N 2 2 330.432 2.089 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001448137678 1104085063 /nfs/dbraw/zinc/08/50/63/1104085063.db2.gz DIUVUONSUKJBRM-HUUCEWRRSA-N 2 2 330.432 2.089 10 0 EEAELP CC[C@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)[NH2+]CCc1ccns1 ZINC001495005131 1104648006 /nfs/dbraw/zinc/64/80/06/1104648006.db2.gz XCOVPAYINNSTGW-CQSZACIVSA-N 2 2 349.504 2.110 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC(C)(C)C1 ZINC001495011226 1104654051 /nfs/dbraw/zinc/65/40/51/1104654051.db2.gz HMZBZIFJLDCSTE-JKSUJKDBSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1c(F)cccc1F ZINC001480603491 1106755037 /nfs/dbraw/zinc/75/50/37/1106755037.db2.gz VEAPULQVNGVQJA-ZDUSSCGKSA-N 2 2 336.386 2.236 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001498054186 1106848958 /nfs/dbraw/zinc/84/89/58/1106848958.db2.gz CXIRYEJXUIFXEK-APHBMKBZSA-N 2 2 330.407 2.255 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001498054186 1106848971 /nfs/dbraw/zinc/84/89/71/1106848971.db2.gz CXIRYEJXUIFXEK-APHBMKBZSA-N 2 2 330.407 2.255 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccccc1C(F)(F)F)NC(=O)Cn1cc[nH+]c1 ZINC001498208132 1107086015 /nfs/dbraw/zinc/08/60/15/1107086015.db2.gz SKGCTEHSBLNIMR-LBPRGKRZSA-N 2 2 340.349 2.196 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CC2CC(F)(F)C2)c[nH+]1 ZINC001498318368 1107284622 /nfs/dbraw/zinc/28/46/22/1107284622.db2.gz XWUVADLXEPLQSL-ZDUSSCGKSA-N 2 2 342.434 2.408 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CC2CC(F)(F)C2)c[nH+]1 ZINC001498318368 1107284632 /nfs/dbraw/zinc/28/46/32/1107284632.db2.gz XWUVADLXEPLQSL-ZDUSSCGKSA-N 2 2 342.434 2.408 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)c(C)s1 ZINC001498381274 1107424567 /nfs/dbraw/zinc/42/45/67/1107424567.db2.gz NQYTZNUMMRKPBN-CHWSQXEVSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)c(C)s1 ZINC001498381274 1107424573 /nfs/dbraw/zinc/42/45/73/1107424573.db2.gz NQYTZNUMMRKPBN-CHWSQXEVSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001498381274 1107424576 /nfs/dbraw/zinc/42/45/76/1107424576.db2.gz NQYTZNUMMRKPBN-CHWSQXEVSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)c(C)s1 ZINC001498381274 1107424580 /nfs/dbraw/zinc/42/45/80/1107424580.db2.gz NQYTZNUMMRKPBN-CHWSQXEVSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498385344 1107430190 /nfs/dbraw/zinc/43/01/90/1107430190.db2.gz JACMDQXGFAXHCO-KBAYOESNSA-N 2 2 340.471 2.469 10 0 EEAELP Cc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001498385344 1107430193 /nfs/dbraw/zinc/43/01/93/1107430193.db2.gz JACMDQXGFAXHCO-KBAYOESNSA-N 2 2 340.471 2.469 10 0 EEAELP COc1ccc(C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001498393966 1107445207 /nfs/dbraw/zinc/44/52/07/1107445207.db2.gz ZGFXMOHLIYFEMX-HOTGVXAUSA-N 2 2 344.459 2.480 10 0 EEAELP COc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n2cc[nH+]c2)cc1 ZINC001498393966 1107445212 /nfs/dbraw/zinc/44/52/12/1107445212.db2.gz ZGFXMOHLIYFEMX-HOTGVXAUSA-N 2 2 344.459 2.480 10 0 EEAELP Cc1nc(C[N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)co1 ZINC001493163310 1107622582 /nfs/dbraw/zinc/62/25/82/1107622582.db2.gz SYEUSXLARHKTKO-SFHVURJKSA-N 2 2 348.491 2.330 10 0 EEAELP Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)CCC[NH+]2CCCCC2)co1 ZINC001493163310 1107622589 /nfs/dbraw/zinc/62/25/89/1107622589.db2.gz SYEUSXLARHKTKO-SFHVURJKSA-N 2 2 348.491 2.330 10 0 EEAELP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001498559757 1107721038 /nfs/dbraw/zinc/72/10/38/1107721038.db2.gz IDRLTOXEPHKBPJ-GHMZBOCLSA-N 2 2 331.247 2.270 10 0 EEAELP CN(CCC[NH2+]CC=C(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001498559757 1107721049 /nfs/dbraw/zinc/72/10/49/1107721049.db2.gz IDRLTOXEPHKBPJ-GHMZBOCLSA-N 2 2 331.247 2.270 10 0 EEAELP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1oc(C(C)C)nc1C ZINC001499092128 1108571605 /nfs/dbraw/zinc/57/16/05/1108571605.db2.gz BMBUDPBHYPMYFM-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP CC[N@@H+](C)CCC(=O)NC[C@H]1CC[NH+]1Cc1oc(C(C)C)nc1C ZINC001499092128 1108571613 /nfs/dbraw/zinc/57/16/13/1108571613.db2.gz BMBUDPBHYPMYFM-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1oc(C(C)C)nc1C ZINC001499092128 1108571626 /nfs/dbraw/zinc/57/16/26/1108571626.db2.gz BMBUDPBHYPMYFM-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP CC[NH+](C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1oc(C(C)C)nc1C ZINC001499092128 1108571632 /nfs/dbraw/zinc/57/16/32/1108571632.db2.gz BMBUDPBHYPMYFM-OAHLLOKOSA-N 2 2 336.480 2.139 10 0 EEAELP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001472330133 1110552080 /nfs/dbraw/zinc/55/20/80/1110552080.db2.gz AWHNJVCRARTLDH-MSOLQXFVSA-N 2 2 344.503 2.483 10 0 EEAELP NC(=O)Cc1cccc2c1CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001473710735 1110578927 /nfs/dbraw/zinc/57/89/27/1110578927.db2.gz DZQGPTMLQWUJEI-UHFFFAOYSA-N 2 2 346.434 2.458 10 0 EEAELP NC(=O)Cc1cccc2c1CC[N@@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC001473710735 1110578929 /nfs/dbraw/zinc/57/89/29/1110578929.db2.gz DZQGPTMLQWUJEI-UHFFFAOYSA-N 2 2 346.434 2.458 10 0 EEAELP c1cn(-c2ccc(C[NH2+]Cc3ccc(-c4nncnn4)cc3)cc2)c[nH+]1 ZINC001474198174 1110591150 /nfs/dbraw/zinc/59/11/50/1110591150.db2.gz YJTZCYSTCJPSJW-UHFFFAOYSA-N 2 2 343.394 2.409 10 0 EEAELP Cc1cc(C[NH2+]C2(CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)CC2)no1 ZINC001499271234 1112210480 /nfs/dbraw/zinc/21/04/80/1112210480.db2.gz DARPDQGHZSBQCU-UHFFFAOYSA-N 2 2 348.491 2.374 10 0 EEAELP Cc1cc(C[NH2+]C2(CNC(=O)C(C)(C)[N@@H+](C)C3CCCC3)CC2)no1 ZINC001499271234 1112210482 /nfs/dbraw/zinc/21/04/82/1112210482.db2.gz DARPDQGHZSBQCU-UHFFFAOYSA-N 2 2 348.491 2.374 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500235144 1112694175 /nfs/dbraw/zinc/69/41/75/1112694175.db2.gz POPHZQDESRVPKE-HPFMTEOYSA-N 2 2 334.464 2.287 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001500235144 1112694178 /nfs/dbraw/zinc/69/41/78/1112694178.db2.gz POPHZQDESRVPKE-HPFMTEOYSA-N 2 2 334.464 2.287 10 0 EEAELP CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001500617898 1112980661 /nfs/dbraw/zinc/98/06/61/1112980661.db2.gz YOMBZSLEWVOKSK-KGLIPLIRSA-N 2 2 328.407 2.318 10 0 EEAELP CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001500617898 1112980663 /nfs/dbraw/zinc/98/06/63/1112980663.db2.gz YOMBZSLEWVOKSK-KGLIPLIRSA-N 2 2 328.407 2.318 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCCF)C2 ZINC001501007859 1113164437 /nfs/dbraw/zinc/16/44/37/1113164437.db2.gz MQZFTTLBCNHIAY-ULQDDVLXSA-N 2 2 336.455 2.382 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCCF)C2 ZINC001501007859 1113164438 /nfs/dbraw/zinc/16/44/38/1113164438.db2.gz MQZFTTLBCNHIAY-ULQDDVLXSA-N 2 2 336.455 2.382 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)CN(C(=O)CC[NH+]1CCCCC1)CCO2 ZINC001502423833 1113676771 /nfs/dbraw/zinc/67/67/71/1113676771.db2.gz MSNURCDRZXTCOA-ARJAWSKDSA-N 2 2 349.519 2.132 10 0 EEAELP CC(C)OCC[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc2[nH+]ccn21 ZINC001505406486 1113942372 /nfs/dbraw/zinc/94/23/72/1113942372.db2.gz KOYVYSSWDWHYGE-INIZCTEOSA-N 2 2 344.459 2.344 10 0 EEAELP Cc1ccccc1CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001505733464 1114157923 /nfs/dbraw/zinc/15/79/23/1114157923.db2.gz TYYDYMAXPBSVTO-SJORKVTESA-N 2 2 342.487 2.387 10 0 EEAELP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)CC=C(Cl)Cl ZINC001506045747 1114371651 /nfs/dbraw/zinc/37/16/51/1114371651.db2.gz CSJAWAJCONZPQJ-DOMZBBRYSA-N 2 2 334.291 2.228 10 0 EEAELP C[C@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH+](C)CC=C(Cl)Cl ZINC001506045747 1114371654 /nfs/dbraw/zinc/37/16/54/1114371654.db2.gz CSJAWAJCONZPQJ-DOMZBBRYSA-N 2 2 334.291 2.228 10 0 EEAELP C[C@H](CNC(=O)[C@@]12CC[NH+](C1)CCC2)[N@H+](C)CC=C(Cl)Cl ZINC001506045747 1114371656 /nfs/dbraw/zinc/37/16/56/1114371656.db2.gz CSJAWAJCONZPQJ-DOMZBBRYSA-N 2 2 334.291 2.228 10 0 EEAELP C[C@H](CNC(=O)[C@@]12CC[NH+](C1)CCC2)[N@@H+](C)CC=C(Cl)Cl ZINC001506045747 1114371658 /nfs/dbraw/zinc/37/16/58/1114371658.db2.gz CSJAWAJCONZPQJ-DOMZBBRYSA-N 2 2 334.291 2.228 10 0 EEAELP C[N@@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001506501887 1114654522 /nfs/dbraw/zinc/65/45/22/1114654522.db2.gz XAFKIRMPPGJSGA-INIZCTEOSA-N 2 2 339.524 2.162 10 0 EEAELP C[N@H+]1CCO[C@H](C(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001506501887 1114654524 /nfs/dbraw/zinc/65/45/24/1114654524.db2.gz XAFKIRMPPGJSGA-INIZCTEOSA-N 2 2 339.524 2.162 10 0 EEAELP Cc1cc(C[NH2+]CC2(NC(=O)Cc3c[nH]c[nH+]3)CCCCC2)sn1 ZINC001506521873 1114671243 /nfs/dbraw/zinc/67/12/43/1114671243.db2.gz PGIOFQMHJAGURW-UHFFFAOYSA-N 2 2 347.488 2.326 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1cc(F)ccc1F)NC(=O)Cn1cc[nH+]c1 ZINC001506951567 1115000708 /nfs/dbraw/zinc/00/07/08/1115000708.db2.gz UPNAOAZQZGVCKT-ZDUSSCGKSA-N 2 2 336.386 2.236 10 0 EEAELP CO[C@@H](C)C[NH2+][C@H](CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C(C)C ZINC001506986706 1115033507 /nfs/dbraw/zinc/03/35/07/1115033507.db2.gz YOXAYHIZDYHFAH-DZGCQCFKSA-N 2 2 332.448 2.332 10 0 EEAELP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ncc(C)o1)C1CC1 ZINC001507037140 1115073394 /nfs/dbraw/zinc/07/33/94/1115073394.db2.gz QZZAINKWURFNDG-IAGOWNOFSA-N 2 2 348.491 2.184 10 0 EEAELP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]Cc1ncc(C)o1)C1CC1 ZINC001507037140 1115073398 /nfs/dbraw/zinc/07/33/98/1115073398.db2.gz QZZAINKWURFNDG-IAGOWNOFSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC001507164683 1115143237 /nfs/dbraw/zinc/14/32/37/1115143237.db2.gz SANWZLZSGUTPII-CYBMUJFWSA-N 2 2 349.504 2.274 10 0 EEAELP CC(C)(C)[C@H](C[NH2+]Cc1ccnc(Cl)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001508031590 1115394654 /nfs/dbraw/zinc/39/46/54/1115394654.db2.gz SBAKLIDKVPMMGF-ZDUSSCGKSA-N 2 2 349.866 2.321 10 0 EEAELP CO[C@@H](C[NH2+]C1CC(N(C)C(=O)CCc2c[nH]c[nH+]2)C1)C1CCCC1 ZINC001508113372 1115422158 /nfs/dbraw/zinc/42/21/58/1115422158.db2.gz QDBYGDBMAUKJQX-ABHNRTSZSA-N 2 2 348.491 2.127 10 0 EEAELP CO[C@@H](C[NH2+]C1CC(N(C)C(=O)CCc2c[nH+]c[nH]2)C1)C1CCCC1 ZINC001508113372 1115422161 /nfs/dbraw/zinc/42/21/61/1115422161.db2.gz QDBYGDBMAUKJQX-ABHNRTSZSA-N 2 2 348.491 2.127 10 0 EEAELP O=C(c1cc2c[nH+]ccc2[nH]1)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC001568141108 1124324116 /nfs/dbraw/zinc/32/41/16/1124324116.db2.gz VBAVVVAZMFEHLC-GOEBONIOSA-N 2 2 342.443 2.184 10 0 EEAELP C[C@@H](C[NH2+]CC=C(Cl)Cl)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001568299681 1124410543 /nfs/dbraw/zinc/41/05/43/1124410543.db2.gz BWNMXIMCDPZVIH-QJPTWQEYSA-N 2 2 345.274 2.279 10 0 EEAELP CCc1nocc1C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001568646571 1124658271 /nfs/dbraw/zinc/65/82/71/1124658271.db2.gz QXBVWQQAXAQMKV-CYBMUJFWSA-N 2 2 347.463 2.162 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568649273 1124661228 /nfs/dbraw/zinc/66/12/28/1124661228.db2.gz KPLYMPFVBLXMBX-IAGOWNOFSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)no1 ZINC001568971562 1125008611 /nfs/dbraw/zinc/00/86/11/1125008611.db2.gz MBRMJXDDQQWIIX-OOFWQKGWSA-N 2 2 348.491 2.256 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000183521103 529799968 /nfs/dbraw/zinc/79/99/68/529799968.db2.gz OPJZQPKFGXOQIY-UHFFFAOYSA-N 2 2 339.443 2.463 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000183536573 539596974 /nfs/dbraw/zinc/59/69/74/539596974.db2.gz WHUGXPKKNMHISP-UHFFFAOYSA-N 2 2 340.427 2.232 10 0 EEAELP COc1cc(C[NH2+]CCc2[nH+]ccn2C)cc(Br)c1O ZINC000040638530 213362361 /nfs/dbraw/zinc/36/23/61/213362361.db2.gz GKWVLMMWTSTSCR-UHFFFAOYSA-N 2 2 340.221 2.229 10 0 EEAELP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccnc(-n2cc[nH+]c2)c1 ZINC000073104564 216349940 /nfs/dbraw/zinc/34/99/40/216349940.db2.gz MFVZAXXJDAQAPU-UHFFFAOYSA-N 2 2 338.415 2.294 10 0 EEAELP FC(F)(F)Oc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422799522 240233814 /nfs/dbraw/zinc/23/38/14/240233814.db2.gz XCTSRBDUSNCFPJ-CABCVRRESA-N 2 2 330.350 2.442 10 0 EEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(-c2ccccc2)nn1C ZINC000453078287 243394786 /nfs/dbraw/zinc/39/47/86/243394786.db2.gz CGQQTZMPDJYZNQ-WBVHZDCISA-N 2 2 328.460 2.194 10 0 EEAELP COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361154849 284175762 /nfs/dbraw/zinc/17/57/62/284175762.db2.gz QYOXNLMMCGPMJS-DYVFJYSZSA-N 2 2 328.416 2.349 10 0 EEAELP COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000361154849 284175765 /nfs/dbraw/zinc/17/57/65/284175765.db2.gz QYOXNLMMCGPMJS-DYVFJYSZSA-N 2 2 328.416 2.349 10 0 EEAELP O=C(C[N@@H+]1CCc2cccc(Cl)c2C1)NC1CC[NH+](C2CC2)CC1 ZINC000459690968 245211134 /nfs/dbraw/zinc/21/11/34/245211134.db2.gz UIAMAPPZHHNCCN-UHFFFAOYSA-N 2 2 347.890 2.441 10 0 EEAELP O=C(C[N@H+]1CCc2cccc(Cl)c2C1)NC1CC[NH+](C2CC2)CC1 ZINC000459690968 245211140 /nfs/dbraw/zinc/21/11/40/245211140.db2.gz UIAMAPPZHHNCCN-UHFFFAOYSA-N 2 2 347.890 2.441 10 0 EEAELP CC(C)c1cc(C(=O)N(C)Cc2[nH+]ccn2C)nn1-c1cc[nH+]cc1 ZINC000095430938 218373493 /nfs/dbraw/zinc/37/34/93/218373493.db2.gz XMIHJDSULZBOQV-UHFFFAOYSA-N 2 2 338.415 2.396 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000271294041 256230702 /nfs/dbraw/zinc/23/07/02/256230702.db2.gz GMNHGSYOAVHAFS-HOTGVXAUSA-N 2 2 341.459 2.365 10 0 EEAELP Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000036340430 132392269 /nfs/dbraw/zinc/39/22/69/132392269.db2.gz NUZYCHOWFURCID-HNNXBMFYSA-N 2 2 340.471 2.187 10 0 EEAELP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1[nH+]ccn1CC(C)C ZINC000073950492 292173524 /nfs/dbraw/zinc/17/35/24/292173524.db2.gz OLCDTLLRZXWPFH-AWEZNQCLSA-N 2 2 332.452 2.180 10 0 EEAELP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000261861001 292255481 /nfs/dbraw/zinc/25/54/81/292255481.db2.gz CBRBXWKMXYSQFY-MKXGPGLRSA-N 2 2 347.503 2.472 10 0 EEAELP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)N2CCCC2)o1 ZINC000261861001 292255482 /nfs/dbraw/zinc/25/54/82/292255482.db2.gz CBRBXWKMXYSQFY-MKXGPGLRSA-N 2 2 347.503 2.472 10 0 EEAELP CSC[C@@H](C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752811 152116220 /nfs/dbraw/zinc/11/62/20/152116220.db2.gz UKIARNKPMFVNPD-OAHLLOKOSA-N 2 2 327.538 2.052 10 0 EEAELP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263028842 152360484 /nfs/dbraw/zinc/36/04/84/152360484.db2.gz RQRNBOFVEYANRA-HNNXBMFYSA-N 2 2 325.403 2.142 10 0 EEAELP COCCOc1ccc(C[NH+]2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079785 159213991 /nfs/dbraw/zinc/21/39/91/159213991.db2.gz DSJBZPXREGLNRR-QGZVFWFLSA-N 2 2 348.487 2.397 10 0 EEAELP COCCOc1ccc(C[NH+]2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000092079785 159213993 /nfs/dbraw/zinc/21/39/93/159213993.db2.gz DSJBZPXREGLNRR-QGZVFWFLSA-N 2 2 348.487 2.397 10 0 EEAELP Cc1ccc2[nH+]cc(CN3CCC([N@H+]4CCO[C@H](C)C4)CC3)n2c1 ZINC000092091294 159214218 /nfs/dbraw/zinc/21/42/18/159214218.db2.gz GDVOACRDNMRAJK-MRXNPFEDSA-N 2 2 328.460 2.328 10 0 EEAELP Cc1ccc2[nH+]cc(CN3CCC([N@@H+]4CCO[C@H](C)C4)CC3)n2c1 ZINC000092091294 159214221 /nfs/dbraw/zinc/21/42/21/159214221.db2.gz GDVOACRDNMRAJK-MRXNPFEDSA-N 2 2 328.460 2.328 10 0 EEAELP CN(CC1CC[NH+](C)CC1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000103512567 159278657 /nfs/dbraw/zinc/27/86/57/159278657.db2.gz BOGVRHWPVBSKSH-UHFFFAOYSA-N 2 2 345.491 2.034 10 0 EEAELP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617201 160184009 /nfs/dbraw/zinc/18/40/09/160184009.db2.gz AKGSAGRDXQWMLT-SOLBZPMBSA-N 2 2 345.487 2.146 10 0 EEAELP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193617201 160184010 /nfs/dbraw/zinc/18/40/10/160184010.db2.gz AKGSAGRDXQWMLT-SOLBZPMBSA-N 2 2 345.487 2.146 10 0 EEAELP CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193617201 160184011 /nfs/dbraw/zinc/18/40/11/160184011.db2.gz AKGSAGRDXQWMLT-SOLBZPMBSA-N 2 2 345.487 2.146 10 0 EEAELP CCOc1ccccc1[C@@H](CC)NC(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193617201 160184012 /nfs/dbraw/zinc/18/40/12/160184012.db2.gz AKGSAGRDXQWMLT-SOLBZPMBSA-N 2 2 345.487 2.146 10 0 EEAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N(Cc3cccc(F)c3)C(C)(C)C)C[C@@H]2C1 ZINC000193617242 160184085 /nfs/dbraw/zinc/18/40/85/160184085.db2.gz 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CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000356204564 465298728 /nfs/dbraw/zinc/29/87/28/465298728.db2.gz KGTSHZKCYAHWNP-OALUTQOASA-N 2 2 344.503 2.210 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000356204564 465298735 /nfs/dbraw/zinc/29/87/35/465298735.db2.gz KGTSHZKCYAHWNP-OALUTQOASA-N 2 2 344.503 2.210 10 0 EEAELP C[C@H]1CCC[C@@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074125256 462558681 /nfs/dbraw/zinc/55/86/81/462558681.db2.gz PHSHBRILLQGGSN-IRXDYDNUSA-N 2 2 336.524 2.425 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000152950143 462598785 /nfs/dbraw/zinc/59/87/85/462598785.db2.gz XGVCVYDAYXLUSG-QLFBSQMISA-N 2 2 327.831 2.468 10 0 EEAELP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1)C2 ZINC000089702171 462710024 /nfs/dbraw/zinc/71/00/24/462710024.db2.gz HIROOLIMVQLUOJ-SJLPKXTDSA-N 2 2 342.418 2.255 10 0 EEAELP C[NH+](C)[C@@H](C(=O)NCc1[nH+]ccn1CC(F)(F)F)c1ccccc1 ZINC000075709859 462752032 /nfs/dbraw/zinc/75/20/32/462752032.db2.gz LXHOZNUHPZABLY-CQSZACIVSA-N 2 2 340.349 2.365 10 0 EEAELP CC[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1 ZINC000130526591 462762786 /nfs/dbraw/zinc/76/27/86/462762786.db2.gz IXRDWVMMKSWHSN-QGZVFWFLSA-N 2 2 336.524 2.378 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000048215945 462874649 /nfs/dbraw/zinc/87/46/49/462874649.db2.gz KMFYQYPCTNANAF-KRWDZBQOSA-N 2 2 341.459 2.250 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000552877216 468340477 /nfs/dbraw/zinc/34/04/77/468340477.db2.gz VEJCMTBUPPSIQK-UHFFFAOYSA-N 2 2 333.451 2.202 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)C1 ZINC000552877216 468340481 /nfs/dbraw/zinc/34/04/81/468340481.db2.gz VEJCMTBUPPSIQK-UHFFFAOYSA-N 2 2 333.451 2.202 10 0 EEAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105115128 463438253 /nfs/dbraw/zinc/43/82/53/463438253.db2.gz KPEZNONZECLCTF-QGZVFWFLSA-N 2 2 343.475 2.062 10 0 EEAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105115128 463438258 /nfs/dbraw/zinc/43/82/58/463438258.db2.gz KPEZNONZECLCTF-QGZVFWFLSA-N 2 2 343.475 2.062 10 0 EEAELP CN(Cc1cccs1)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918597 463497259 /nfs/dbraw/zinc/49/72/59/463497259.db2.gz XWZSGZXBJBFUOM-UHFFFAOYSA-N 2 2 346.500 2.395 10 0 EEAELP C[NH+](C)[C@H](CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C)c1ccco1 ZINC000106426171 463515070 /nfs/dbraw/zinc/51/50/70/463515070.db2.gz QBTAARUUFHYHIU-DLBZAZTESA-N 2 2 329.444 2.171 10 0 EEAELP C[C@H]1CCN(C(=O)NCc2ccc[nH+]c2N(C)C)C[C@@H]1n1cc[nH+]c1 ZINC000152160402 463654783 /nfs/dbraw/zinc/65/47/83/463654783.db2.gz WNNUKZOOCLUDFL-HOCLYGCPSA-N 2 2 342.447 2.137 10 0 EEAELP C[C@H](CC[NH+](C)C)NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000073906820 463668935 /nfs/dbraw/zinc/66/89/35/463668935.db2.gz WLUATASOQJEFTI-NVXWUHKLSA-N 2 2 343.475 2.343 10 0 EEAELP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)C12CCOCC2 ZINC000170082825 463675432 /nfs/dbraw/zinc/67/54/32/463675432.db2.gz YYGNSPYLSLNUTJ-DLBZAZTESA-N 2 2 329.444 2.441 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601755 463721961 /nfs/dbraw/zinc/72/19/61/463721961.db2.gz IEOBXFQUHBZJRE-QGWWYQLQSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193601755 463721965 /nfs/dbraw/zinc/72/19/65/463721965.db2.gz IEOBXFQUHBZJRE-QGWWYQLQSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193601755 463721974 /nfs/dbraw/zinc/72/19/74/463721974.db2.gz IEOBXFQUHBZJRE-QGWWYQLQSA-N 2 2 329.488 2.308 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193601755 463721978 /nfs/dbraw/zinc/72/19/78/463721978.db2.gz IEOBXFQUHBZJRE-QGWWYQLQSA-N 2 2 329.488 2.308 10 0 EEAELP c1c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c(-c2ccccn2)nn1C1CCCC1 ZINC000579567997 468377176 /nfs/dbraw/zinc/37/71/76/468377176.db2.gz ONZLRPLJFUAXMO-KRWDZBQOSA-N 2 2 341.459 2.138 10 0 EEAELP Clc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cn2c1 ZINC000261915829 463899303 /nfs/dbraw/zinc/89/93/03/463899303.db2.gz JPORZDZAPPTDBW-ARFHVFGLSA-N 2 2 334.851 2.234 10 0 EEAELP CC1CC[NH+](Cc2csc(NC(=O)CC(F)(F)C[NH3+])n2)CC1 ZINC000568777429 468386986 /nfs/dbraw/zinc/38/69/86/468386986.db2.gz RHESDWUZSCHEGO-UHFFFAOYSA-N 2 2 332.420 2.298 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262576778 464032705 /nfs/dbraw/zinc/03/27/05/464032705.db2.gz ORLXIIMELHFUMK-RRFJBIMHSA-N 2 2 325.815 2.093 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262576778 464032709 /nfs/dbraw/zinc/03/27/09/464032709.db2.gz ORLXIIMELHFUMK-RRFJBIMHSA-N 2 2 325.815 2.093 10 0 EEAELP CCCCOCCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516329 464064497 /nfs/dbraw/zinc/06/44/97/464064497.db2.gz HEGIDUDKYSIVLZ-KRWDZBQOSA-N 2 2 348.491 2.057 10 0 EEAELP CCCCOCCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516329 464064498 /nfs/dbraw/zinc/06/44/98/464064498.db2.gz HEGIDUDKYSIVLZ-KRWDZBQOSA-N 2 2 348.491 2.057 10 0 EEAELP CC(C)COC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181445382 464491639 /nfs/dbraw/zinc/49/16/39/464491639.db2.gz CYTUQWHICLEMCX-IYBDPMFKSA-N 2 2 326.481 2.007 10 0 EEAELP CC(C)COC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181445382 464491649 /nfs/dbraw/zinc/49/16/49/464491649.db2.gz CYTUQWHICLEMCX-IYBDPMFKSA-N 2 2 326.481 2.007 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1c1ccccc1 ZINC000272362050 464577433 /nfs/dbraw/zinc/57/74/33/464577433.db2.gz SEXGMZPQXACVQB-MJGOQNOKSA-N 2 2 347.422 2.443 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccn2)[C@@H]1c1ccccc1 ZINC000272362050 464577440 /nfs/dbraw/zinc/57/74/40/464577440.db2.gz SEXGMZPQXACVQB-MJGOQNOKSA-N 2 2 347.422 2.443 10 0 EEAELP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000176320349 464747779 /nfs/dbraw/zinc/74/77/79/464747779.db2.gz UNGDVROPKFLLJC-QGZVFWFLSA-N 2 2 344.463 2.351 10 0 EEAELP CC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248661576 464782297 /nfs/dbraw/zinc/78/22/97/464782297.db2.gz XIOHEJQMLIJUOW-ZFWWWQNUSA-N 2 2 338.521 2.120 10 0 EEAELP CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248661576 464782304 /nfs/dbraw/zinc/78/23/04/464782304.db2.gz XIOHEJQMLIJUOW-ZFWWWQNUSA-N 2 2 338.521 2.120 10 0 EEAELP CC[C@H](C)NC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248661576 464782309 /nfs/dbraw/zinc/78/23/09/464782309.db2.gz XIOHEJQMLIJUOW-ZFWWWQNUSA-N 2 2 338.521 2.120 10 0 EEAELP CC[C@H](C)NC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248661576 464782315 /nfs/dbraw/zinc/78/23/15/464782315.db2.gz XIOHEJQMLIJUOW-ZFWWWQNUSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569002376 468423757 /nfs/dbraw/zinc/42/37/57/468423757.db2.gz BSFVMCBUBKOXEI-YLJYHZDGSA-N 2 2 329.488 2.417 10 0 EEAELP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569002376 468423763 /nfs/dbraw/zinc/42/37/63/468423763.db2.gz BSFVMCBUBKOXEI-YLJYHZDGSA-N 2 2 329.488 2.417 10 0 EEAELP C[C@@H]1CCCN(c2cc(N3CC[NH+](C4CCOCC4)CC3)nc[nH+]2)C1 ZINC000176742718 464838352 /nfs/dbraw/zinc/83/83/52/464838352.db2.gz QBPAWLQWJVKMTP-MRXNPFEDSA-N 2 2 345.491 2.014 10 0 EEAELP CCC[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000337366953 465329728 /nfs/dbraw/zinc/32/97/28/465329728.db2.gz QDPQTZHOPQKGAG-UHFFFAOYSA-N 2 2 347.385 2.119 10 0 EEAELP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1O ZINC000348308568 465542336 /nfs/dbraw/zinc/54/23/36/465542336.db2.gz DPIQKLPYBPEHEN-AHIWAGSCSA-N 2 2 328.416 2.106 10 0 EEAELP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C[C@@H]1O ZINC000348308568 465542344 /nfs/dbraw/zinc/54/23/44/465542344.db2.gz DPIQKLPYBPEHEN-AHIWAGSCSA-N 2 2 328.416 2.106 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)cn2)[C@H](C)C1 ZINC000299433881 465747301 /nfs/dbraw/zinc/74/73/01/465747301.db2.gz VKKRKOFUDQQDQV-CRAIPNDOSA-N 2 2 349.475 2.095 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(=O)OC)cn2)[C@H](C)C1 ZINC000299433881 465747304 /nfs/dbraw/zinc/74/73/04/465747304.db2.gz VKKRKOFUDQQDQV-CRAIPNDOSA-N 2 2 349.475 2.095 10 0 EEAELP Cc1ccccc1OC[C@H](O)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340107773 465772054 /nfs/dbraw/zinc/77/20/54/465772054.db2.gz YMQCGCIFAGZOHW-GOSISDBHSA-N 2 2 341.455 2.260 10 0 EEAELP COC(=O)[C@H]1C[C@@H](O)C[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290768 465888749 /nfs/dbraw/zinc/88/87/49/465888749.db2.gz UIBDYSOCOAFCGZ-CRAIPNDOSA-N 2 2 345.443 2.123 10 0 EEAELP COC(=O)[C@H]1C[C@@H](O)C[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290768 465888752 /nfs/dbraw/zinc/88/87/52/465888752.db2.gz UIBDYSOCOAFCGZ-CRAIPNDOSA-N 2 2 345.443 2.123 10 0 EEAELP O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(-n3cc[nH+]c3)cs2)CN1 ZINC000346168509 465955883 /nfs/dbraw/zinc/95/58/83/465955883.db2.gz LHYJZRLAPYYVEJ-CJNGLKHVSA-N 2 2 330.457 2.424 10 0 EEAELP O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)CN1 ZINC000346168509 465955886 /nfs/dbraw/zinc/95/58/86/465955886.db2.gz LHYJZRLAPYYVEJ-CJNGLKHVSA-N 2 2 330.457 2.424 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000346171087 465959602 /nfs/dbraw/zinc/95/96/02/465959602.db2.gz NVTDIDLGAMEPIQ-VQIMIIECSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000346171087 465959605 /nfs/dbraw/zinc/95/96/05/465959605.db2.gz NVTDIDLGAMEPIQ-VQIMIIECSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000346171087 465959608 /nfs/dbraw/zinc/95/96/08/465959608.db2.gz NVTDIDLGAMEPIQ-VQIMIIECSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000346171087 465959613 /nfs/dbraw/zinc/95/96/13/465959613.db2.gz NVTDIDLGAMEPIQ-VQIMIIECSA-N 3 2 325.460 2.492 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338277080 465975834 /nfs/dbraw/zinc/97/58/34/465975834.db2.gz DHFICDWYHHHSTA-GOSISDBHSA-N 2 2 325.412 2.361 10 0 EEAELP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000338277080 465975844 /nfs/dbraw/zinc/97/58/44/465975844.db2.gz DHFICDWYHHHSTA-GOSISDBHSA-N 2 2 325.412 2.361 10 0 EEAELP COC(=O)C[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCC1 ZINC000346209575 465993713 /nfs/dbraw/zinc/99/37/13/465993713.db2.gz VCPTXSAOWXIWHD-UHFFFAOYSA-N 2 2 328.416 2.493 10 0 EEAELP COC(=O)C[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCC1 ZINC000346209575 465993715 /nfs/dbraw/zinc/99/37/15/465993715.db2.gz VCPTXSAOWXIWHD-UHFFFAOYSA-N 2 2 328.416 2.493 10 0 EEAELP c1nc(C2OCCO2)sc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000366919568 466016024 /nfs/dbraw/zinc/01/60/24/466016024.db2.gz ZMHQQPKQAOKTNO-UHFFFAOYSA-N 2 2 346.456 2.342 10 0 EEAELP CCc1cccc(F)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000353663967 466049395 /nfs/dbraw/zinc/04/93/95/466049395.db2.gz WNCHQVLSAKIESY-SFHVURJKSA-N 2 2 333.451 2.127 10 0 EEAELP CCc1cccc(F)c1C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000353663967 466049402 /nfs/dbraw/zinc/04/94/02/466049402.db2.gz WNCHQVLSAKIESY-SFHVURJKSA-N 2 2 333.451 2.127 10 0 EEAELP Cc1nc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2c([nH+]1)CCCC2 ZINC000302030824 466082615 /nfs/dbraw/zinc/08/26/15/466082615.db2.gz BWGCXVWLRAKSJT-KRWDZBQOSA-N 2 2 343.519 2.270 10 0 EEAELP Cc1nc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2c([nH+]1)CCCC2 ZINC000302030824 466082622 /nfs/dbraw/zinc/08/26/22/466082622.db2.gz BWGCXVWLRAKSJT-KRWDZBQOSA-N 2 2 343.519 2.270 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000340480857 466118941 /nfs/dbraw/zinc/11/89/41/466118941.db2.gz WILKYDSAKNDORZ-KRWDZBQOSA-N 2 2 349.523 2.460 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000340480857 466118947 /nfs/dbraw/zinc/11/89/47/466118947.db2.gz WILKYDSAKNDORZ-KRWDZBQOSA-N 2 2 349.523 2.460 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000591522207 468479936 /nfs/dbraw/zinc/47/99/36/468479936.db2.gz BAILKMINMSFDFY-MAUKXSAKSA-N 2 2 346.475 2.296 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1)[NH+]1CCOCC1 ZINC000591522207 468479941 /nfs/dbraw/zinc/47/99/41/468479941.db2.gz BAILKMINMSFDFY-MAUKXSAKSA-N 2 2 346.475 2.296 10 0 EEAELP CCN(C(=O)C[NH+](C)C)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000372278014 466269227 /nfs/dbraw/zinc/26/92/27/466269227.db2.gz NHKLPHQCSFRGBV-UHFFFAOYSA-N 2 2 347.507 2.287 10 0 EEAELP CN(c1ccccc1C[N@@H+]1CC[NH+]2CCC1CC2)C1CC[NH+](C)CC1 ZINC000367691011 466495553 /nfs/dbraw/zinc/49/55/53/466495553.db2.gz ZSSKUNNTSVHOMQ-UHFFFAOYSA-N 3 2 342.531 2.497 10 0 EEAELP CN(c1ccccc1C[N@H+]1CC[NH+]2CCC1CC2)C1CC[NH+](C)CC1 ZINC000367691011 466495559 /nfs/dbraw/zinc/49/55/59/466495559.db2.gz ZSSKUNNTSVHOMQ-UHFFFAOYSA-N 3 2 342.531 2.497 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1=O ZINC000358198770 466534315 /nfs/dbraw/zinc/53/43/15/466534315.db2.gz YYFRYYGPVFSZNV-YSHGAJCASA-N 2 2 327.472 2.250 10 0 EEAELP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1=O ZINC000358198770 466534320 /nfs/dbraw/zinc/53/43/20/466534320.db2.gz YYFRYYGPVFSZNV-YSHGAJCASA-N 2 2 327.472 2.250 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324410328 466647072 /nfs/dbraw/zinc/64/70/72/466647072.db2.gz VOMXXSGYKMBSRC-NXHRZFHOSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000324410328 466647074 /nfs/dbraw/zinc/64/70/74/466647074.db2.gz VOMXXSGYKMBSRC-NXHRZFHOSA-N 2 2 327.472 2.428 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422625235 466678782 /nfs/dbraw/zinc/67/87/82/466678782.db2.gz BATDHRZNLVFGGD-IHRRRGAJSA-N 2 2 337.430 2.339 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422625235 466678786 /nfs/dbraw/zinc/67/87/86/466678786.db2.gz BATDHRZNLVFGGD-IHRRRGAJSA-N 2 2 337.430 2.339 10 0 EEAELP c1ccc(C2(C[NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CCOCC2)cc1 ZINC000422850947 466685486 /nfs/dbraw/zinc/68/54/86/466685486.db2.gz WJNGCGMRXJRZGN-MOPGFXCFSA-N 2 2 330.472 2.091 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@@H]3CCC4(CCOCC4)[C@@H]3O)c[nH+]c12 ZINC000374701222 466718895 /nfs/dbraw/zinc/71/88/95/466718895.db2.gz LBEXHNVEDQHOHA-DOTOQJQBSA-N 2 2 329.444 2.300 10 0 EEAELP C[C@@H](CC(F)(F)F)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000654967981 471238647 /nfs/dbraw/zinc/23/86/47/471238647.db2.gz KNKCOFWKQMJOLM-JSGCOSHPSA-N 2 2 335.414 2.202 10 0 EEAELP C[C@@H](CC(F)(F)F)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000654967981 471238650 /nfs/dbraw/zinc/23/86/50/471238650.db2.gz KNKCOFWKQMJOLM-JSGCOSHPSA-N 2 2 335.414 2.202 10 0 EEAELP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000423708507 466810794 /nfs/dbraw/zinc/81/07/94/466810794.db2.gz GZIKDUNVSLOKKR-QGZVFWFLSA-N 2 2 333.451 2.248 10 0 EEAELP CCCS(=O)(=O)CC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370308708 466832019 /nfs/dbraw/zinc/83/20/19/466832019.db2.gz OVRWTWUDQGAMBO-OAHLLOKOSA-N 2 2 339.505 2.224 10 0 EEAELP CCCS(=O)(=O)CC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370308708 466832022 /nfs/dbraw/zinc/83/20/22/466832022.db2.gz OVRWTWUDQGAMBO-OAHLLOKOSA-N 2 2 339.505 2.224 10 0 EEAELP CCC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417955310 467001569 /nfs/dbraw/zinc/00/15/69/467001569.db2.gz QYAZELLMCAPVQO-CVEARBPZSA-N 2 2 340.418 2.009 10 0 EEAELP CCC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000417955310 467001574 /nfs/dbraw/zinc/00/15/74/467001574.db2.gz QYAZELLMCAPVQO-CVEARBPZSA-N 2 2 340.418 2.009 10 0 EEAELP Cc1cc[nH+]cc1N1CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1 ZINC000374179977 467027739 /nfs/dbraw/zinc/02/77/39/467027739.db2.gz XOMLHRJVRWHKFF-UHFFFAOYSA-N 2 2 338.415 2.101 10 0 EEAELP [NH3+]CCC[C@H](NC(=O)N[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000418239428 467082293 /nfs/dbraw/zinc/08/22/93/467082293.db2.gz OWENHBQHORHSTG-CABCVRRESA-N 2 2 327.432 2.046 10 0 EEAELP [NH3+]CCC[C@H](NC(=O)N[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000418239428 467082296 /nfs/dbraw/zinc/08/22/96/467082296.db2.gz OWENHBQHORHSTG-CABCVRRESA-N 2 2 327.432 2.046 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000418255200 467085687 /nfs/dbraw/zinc/08/56/87/467085687.db2.gz CDTRUUJVFNSUID-CVEARBPZSA-N 2 2 345.422 2.069 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429038849 467295673 /nfs/dbraw/zinc/29/56/73/467295673.db2.gz GNTJGFOOHPEWDH-XLIONFOSSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429038849 467295678 /nfs/dbraw/zinc/29/56/78/467295678.db2.gz GNTJGFOOHPEWDH-XLIONFOSSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429038849 467295684 /nfs/dbraw/zinc/29/56/84/467295684.db2.gz GNTJGFOOHPEWDH-XLIONFOSSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429038849 467295687 /nfs/dbraw/zinc/29/56/87/467295687.db2.gz GNTJGFOOHPEWDH-XLIONFOSSA-N 2 2 329.488 2.070 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361870 467379016 /nfs/dbraw/zinc/37/90/16/467379016.db2.gz HGVBNPULBAHVSE-MRXNPFEDSA-N 2 2 341.908 2.435 10 0 EEAELP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420361870 467379021 /nfs/dbraw/zinc/37/90/21/467379021.db2.gz HGVBNPULBAHVSE-MRXNPFEDSA-N 2 2 341.908 2.435 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420373740 467383176 /nfs/dbraw/zinc/38/31/76/467383176.db2.gz NEMKQACSUSAWEH-PKOBYXMFSA-N 2 2 331.460 2.488 10 0 EEAELP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420373740 467383182 /nfs/dbraw/zinc/38/31/82/467383182.db2.gz NEMKQACSUSAWEH-PKOBYXMFSA-N 2 2 331.460 2.488 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccnn1-c1ccccc1OC ZINC000430041062 467393681 /nfs/dbraw/zinc/39/36/81/467393681.db2.gz TXVOQOLARQHACC-INIZCTEOSA-N 2 2 344.459 2.081 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccnn1-c1ccccc1OC ZINC000430041062 467393686 /nfs/dbraw/zinc/39/36/86/467393686.db2.gz TXVOQOLARQHACC-INIZCTEOSA-N 2 2 344.459 2.081 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000454368668 467588437 /nfs/dbraw/zinc/58/84/37/467588437.db2.gz PBQDOAWDGDPTSV-HUUCEWRRSA-N 2 2 335.496 2.459 10 0 EEAELP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000449357647 467633303 /nfs/dbraw/zinc/63/33/03/467633303.db2.gz LKZXMZBANXZSKT-AWEZNQCLSA-N 2 2 336.501 2.410 10 0 EEAELP COc1ccc(COCC[NH+]2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000528729322 467740891 /nfs/dbraw/zinc/74/08/91/467740891.db2.gz RLHJHXZQSGMKPL-UHFFFAOYSA-N 2 2 348.487 2.399 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@H]1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000450623716 467881907 /nfs/dbraw/zinc/88/19/07/467881907.db2.gz NGVGKKUIAUIALZ-HWPVKAJDSA-N 3 2 348.579 2.492 10 0 EEAELP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000450623716 467881913 /nfs/dbraw/zinc/88/19/13/467881913.db2.gz NGVGKKUIAUIALZ-HWPVKAJDSA-N 3 2 348.579 2.492 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450623716 467881915 /nfs/dbraw/zinc/88/19/15/467881915.db2.gz NGVGKKUIAUIALZ-HWPVKAJDSA-N 3 2 348.579 2.492 10 0 EEAELP CC(C)[NH+]1CCCC[C@H]1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000450623716 467881920 /nfs/dbraw/zinc/88/19/20/467881920.db2.gz NGVGKKUIAUIALZ-HWPVKAJDSA-N 3 2 348.579 2.492 10 0 EEAELP Cc1nc(N(CCCc2ccccc2)CC[NH+](C)C)nc(N(C)C)[nH+]1 ZINC000490082766 468193399 /nfs/dbraw/zinc/19/33/99/468193399.db2.gz SSCVFJLMSJSABW-UHFFFAOYSA-N 2 2 342.491 2.247 10 0 EEAELP COC(=O)c1cc(C[NH+]2CCN(c3cc(OC)cc[nH+]3)CC2)c(C)o1 ZINC000520590752 468261765 /nfs/dbraw/zinc/26/17/65/468261765.db2.gz XKZPEOFZNONPIN-UHFFFAOYSA-N 2 2 345.399 2.100 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000570564062 468656929 /nfs/dbraw/zinc/65/69/29/468656929.db2.gz FWIPKUMBAUDGBW-SFTDATJTSA-N 2 2 342.483 2.444 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000570564062 468656933 /nfs/dbraw/zinc/65/69/33/468656933.db2.gz FWIPKUMBAUDGBW-SFTDATJTSA-N 2 2 342.483 2.444 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)cc1 ZINC000561090174 468862245 /nfs/dbraw/zinc/86/22/45/468862245.db2.gz PSNZFXJCWOEXHL-UHFFFAOYSA-N 2 2 345.487 2.071 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC(C)(C)C3)CC2)cc1 ZINC000561090174 468862248 /nfs/dbraw/zinc/86/22/48/468862248.db2.gz PSNZFXJCWOEXHL-UHFFFAOYSA-N 2 2 345.487 2.071 10 0 EEAELP O=C(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)NCC(F)F ZINC000563120130 469175455 /nfs/dbraw/zinc/17/54/55/469175455.db2.gz SFGRKWNJFCTQLJ-OAHLLOKOSA-N 2 2 337.414 2.155 10 0 EEAELP O=C(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)NCC(F)F ZINC000563120130 469175462 /nfs/dbraw/zinc/17/54/62/469175462.db2.gz SFGRKWNJFCTQLJ-OAHLLOKOSA-N 2 2 337.414 2.155 10 0 EEAELP CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000599335558 469215299 /nfs/dbraw/zinc/21/52/99/469215299.db2.gz WVGOHIJGFDJMJX-OAHLLOKOSA-N 2 2 336.480 2.299 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@@H](C[NH+]3CCCCC3)C1)CC2 ZINC000625846362 469408931 /nfs/dbraw/zinc/40/89/31/469408931.db2.gz BAEYHMOGBAUQGM-DLBZAZTESA-N 2 2 330.476 2.088 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331309 469470330 /nfs/dbraw/zinc/47/03/30/469470330.db2.gz DCKGLLACLNPAQL-QFBILLFUSA-N 2 2 344.503 2.202 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccnc1 ZINC000604331309 469470334 /nfs/dbraw/zinc/47/03/34/469470334.db2.gz DCKGLLACLNPAQL-QFBILLFUSA-N 2 2 344.503 2.202 10 0 EEAELP 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ZINC000607391335 469687643 /nfs/dbraw/zinc/68/76/43/469687643.db2.gz YWDFVWQOCVOGLF-WIYYLYMNSA-N 2 2 342.483 2.362 10 0 EEAELP C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCCC3)[nH+]c2)C[NH2+]1 ZINC000626932791 469760153 /nfs/dbraw/zinc/76/01/53/469760153.db2.gz ZZOQCULRDOTVER-GOEBONIOSA-N 2 2 331.464 2.012 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1[nH+]ccn1CCc1ccccc1 ZINC000626996277 469782540 /nfs/dbraw/zinc/78/25/40/469782540.db2.gz NOTVAWMURLLVCE-DLBZAZTESA-N 2 2 341.459 2.066 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1CCSc2ccccc21 ZINC000617766867 469797735 /nfs/dbraw/zinc/79/77/35/469797735.db2.gz XHLQIPZIENWNLP-INIZCTEOSA-N 2 2 335.517 2.266 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1CCSc2ccccc21 ZINC000617766867 469797737 /nfs/dbraw/zinc/79/77/37/469797737.db2.gz XHLQIPZIENWNLP-INIZCTEOSA-N 2 2 335.517 2.266 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCCCO1 ZINC000624017170 469817765 /nfs/dbraw/zinc/81/77/65/469817765.db2.gz RKDVWORRYPXQLO-YSIASYRMSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1)[C@H]1CCCCO1 ZINC000624017170 469817769 /nfs/dbraw/zinc/81/77/69/469817769.db2.gz RKDVWORRYPXQLO-YSIASYRMSA-N 2 2 331.504 2.350 10 0 EEAELP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)n1cccn1 ZINC000624045365 469824578 /nfs/dbraw/zinc/82/45/78/469824578.db2.gz GMKLANNGXXMLDQ-GJZGRUSLSA-N 2 2 346.397 2.220 10 0 EEAELP C[C@H]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[NH2+]1 ZINC000627201961 469842754 /nfs/dbraw/zinc/84/27/54/469842754.db2.gz FCJHRIRQNMWIFC-HOCLYGCPSA-N 2 2 345.491 2.249 10 0 EEAELP Cc1cn2c([nH+]1)C[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)CC2 ZINC000624427963 469935462 /nfs/dbraw/zinc/93/54/62/469935462.db2.gz ROAJKVBXRSOJRI-DOTOQJQBSA-N 2 2 344.434 2.312 10 0 EEAELP CC(C)n1ncnc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000631082848 470064216 /nfs/dbraw/zinc/06/42/16/470064216.db2.gz IFDCAZIHEWLYFI-UHFFFAOYSA-N 2 2 343.475 2.106 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3Cc4ccc(Cl)cc43)C2)CC1 ZINC000631259308 470104794 /nfs/dbraw/zinc/10/47/94/470104794.db2.gz PKCQYJSFIHDXHR-MAUKXSAKSA-N 2 2 347.890 2.264 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3Cc4ccc(Cl)cc43)C2)CC1 ZINC000631259308 470104796 /nfs/dbraw/zinc/10/47/96/470104796.db2.gz PKCQYJSFIHDXHR-MAUKXSAKSA-N 2 2 347.890 2.264 10 0 EEAELP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000631634570 470175562 /nfs/dbraw/zinc/17/55/62/470175562.db2.gz KUUNQJVKQVTVHN-NVXWUHKLSA-N 2 2 334.460 2.345 10 0 EEAELP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000631634570 470175563 /nfs/dbraw/zinc/17/55/63/470175563.db2.gz KUUNQJVKQVTVHN-NVXWUHKLSA-N 2 2 334.460 2.345 10 0 EEAELP O=C(Cc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000632795210 470271720 /nfs/dbraw/zinc/27/17/20/470271720.db2.gz WDEMGLRORUWSMK-MSOLQXFVSA-N 2 2 342.418 2.060 10 0 EEAELP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)C1 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DIISSYQHDSJDTG-ILXRZTDVSA-N 2 2 329.444 2.120 10 0 EEAELP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@H]1C ZINC000641805037 470488219 /nfs/dbraw/zinc/48/82/19/470488219.db2.gz DIISSYQHDSJDTG-ILXRZTDVSA-N 2 2 329.444 2.120 10 0 EEAELP CCN(CCOC)c1cccc(CN(C)CC[NH+]2CCCCC2)[nH+]1 ZINC000649889691 470734414 /nfs/dbraw/zinc/73/44/14/470734414.db2.gz KJOIZVHBOCQEKH-UHFFFAOYSA-N 2 2 334.508 2.472 10 0 EEAELP O=C(C[N@H+]1CC[C@]2(CC2(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649901970 470738841 /nfs/dbraw/zinc/73/88/41/470738841.db2.gz TUYWRHUPONTYKN-SFHVURJKSA-N 2 2 349.425 2.062 10 0 EEAELP O=C(C[N@@H+]1CC[C@]2(CC2(F)F)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000649901970 470738846 /nfs/dbraw/zinc/73/88/46/470738846.db2.gz TUYWRHUPONTYKN-SFHVURJKSA-N 2 2 349.425 2.062 10 0 EEAELP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)sc2C1 ZINC000635790849 470755511 /nfs/dbraw/zinc/75/55/11/470755511.db2.gz AURPWBHHSGMVOU-GHMZBOCLSA-N 2 2 331.445 2.375 10 0 EEAELP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)sc2C1 ZINC000635790849 470755513 /nfs/dbraw/zinc/75/55/13/470755513.db2.gz AURPWBHHSGMVOU-GHMZBOCLSA-N 2 2 331.445 2.375 10 0 EEAELP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)sc2C1 ZINC000635790849 470755514 /nfs/dbraw/zinc/75/55/14/470755514.db2.gz AURPWBHHSGMVOU-GHMZBOCLSA-N 2 2 331.445 2.375 10 0 EEAELP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)sc2C1 ZINC000635790849 470755515 /nfs/dbraw/zinc/75/55/15/470755515.db2.gz AURPWBHHSGMVOU-GHMZBOCLSA-N 2 2 331.445 2.375 10 0 EEAELP COc1ncncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000647189871 470852601 /nfs/dbraw/zinc/85/26/01/470852601.db2.gz WENREZCCCPPUIU-CRAIPNDOSA-N 2 2 326.444 2.485 10 0 EEAELP COc1ncncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000647189871 470852606 /nfs/dbraw/zinc/85/26/06/470852606.db2.gz WENREZCCCPPUIU-CRAIPNDOSA-N 2 2 326.444 2.485 10 0 EEAELP C[C@@H]1C[NH2+]C[C@H]([NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1 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MFUNQVCXALDPAY-VXGBXAGGSA-N 2 2 333.259 2.417 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899304 471010708 /nfs/dbraw/zinc/01/07/08/471010708.db2.gz GAXXEKPAUIUSJF-SJLPKXTDSA-N 2 2 349.906 2.463 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCCc1ccc(Cl)cc1 ZINC000647899304 471010710 /nfs/dbraw/zinc/01/07/10/471010710.db2.gz GAXXEKPAUIUSJF-SJLPKXTDSA-N 2 2 349.906 2.463 10 0 EEAELP O=C(NC1CC1)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902074 471012484 /nfs/dbraw/zinc/01/24/84/471012484.db2.gz ZLNJOXVLCDTRFT-WDSOQIARSA-N 2 2 327.472 2.470 10 0 EEAELP O=C(NC1CC1)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902074 471012487 /nfs/dbraw/zinc/01/24/87/471012487.db2.gz ZLNJOXVLCDTRFT-WDSOQIARSA-N 2 2 327.472 2.470 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(F)c(OC)cc1OC ZINC000651699062 471087619 /nfs/dbraw/zinc/08/76/19/471087619.db2.gz GBSMWKZLQHFMLU-AWEZNQCLSA-N 2 2 326.412 2.043 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(F)c(OC)cc1OC ZINC000651699062 471087624 /nfs/dbraw/zinc/08/76/24/471087624.db2.gz GBSMWKZLQHFMLU-AWEZNQCLSA-N 2 2 326.412 2.043 10 0 EEAELP Fc1cncc(Br)c1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000657471026 471146102 /nfs/dbraw/zinc/14/61/02/471146102.db2.gz YKTZIXUUIDCOQW-QMMMGPOBSA-N 2 2 325.185 2.353 10 0 EEAELP Fc1cncc(Br)c1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000657471026 471146107 /nfs/dbraw/zinc/14/61/07/471146107.db2.gz YKTZIXUUIDCOQW-QMMMGPOBSA-N 2 2 325.185 2.353 10 0 EEAELP CN(Cc1[nH+]ccn1Cc1ccccc1)C(=O)NCCC1(C[NH3+])CC1 ZINC000652241021 471260966 /nfs/dbraw/zinc/26/09/66/471260966.db2.gz SVZMDMZVXULIJA-UHFFFAOYSA-N 2 2 341.459 2.202 10 0 EEAELP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CCN(c3cccc[nH+]3)CC2)C1 ZINC000658114269 471267246 /nfs/dbraw/zinc/26/72/46/471267246.db2.gz JIFRXAFZYGGKDQ-NXHRZFHOSA-N 2 2 333.476 2.206 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3([NH+](C)C)CC3)c2)C[C@H](C)O1 ZINC000668951180 471324655 /nfs/dbraw/zinc/32/46/55/471324655.db2.gz ABAODDWNJSQYPV-GASCZTMLSA-N 2 2 331.460 2.329 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3([NH+](C)C)CC3)c2)C[C@H](C)O1 ZINC000668951180 471324658 /nfs/dbraw/zinc/32/46/58/471324658.db2.gz ABAODDWNJSQYPV-GASCZTMLSA-N 2 2 331.460 2.329 10 0 EEAELP CC(C)CC[C@H](O)C[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372307 471344442 /nfs/dbraw/zinc/34/44/42/471344442.db2.gz IWZJLAACMFEDFC-PMACEKPBSA-N 2 2 333.520 2.189 10 0 EEAELP CC(C)CC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372307 471344451 /nfs/dbraw/zinc/34/44/51/471344451.db2.gz IWZJLAACMFEDFC-PMACEKPBSA-N 2 2 333.520 2.189 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663374962 471345785 /nfs/dbraw/zinc/34/57/85/471345785.db2.gz INNVSKLCQWKHNE-FFZOFVMBSA-N 2 2 328.456 2.191 10 0 EEAELP C[C@H](O)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000663374962 471345795 /nfs/dbraw/zinc/34/57/95/471345795.db2.gz INNVSKLCQWKHNE-FFZOFVMBSA-N 2 2 328.456 2.191 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000660496221 471365984 /nfs/dbraw/zinc/36/59/84/471365984.db2.gz NFOFYOADSAXJFG-QGZVFWFLSA-N 2 2 330.476 2.174 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000660496221 471365987 /nfs/dbraw/zinc/36/59/87/471365987.db2.gz NFOFYOADSAXJFG-QGZVFWFLSA-N 2 2 330.476 2.174 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl ZINC000653072457 471473181 /nfs/dbraw/zinc/47/31/81/471473181.db2.gz SDTQMXYMXYFFAS-BLLLJJGKSA-N 2 2 341.858 2.292 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659039273 471481552 /nfs/dbraw/zinc/48/15/52/471481552.db2.gz AWHCLLZRDMWYST-CZUORRHYSA-N 2 2 343.431 2.447 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)s1 ZINC000653116936 471496833 /nfs/dbraw/zinc/49/68/33/471496833.db2.gz YXRWDCONSYZYBI-ZWKOTPCHSA-N 2 2 347.528 2.485 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[N@H+](C[C@@H](C)O)C[C@@H]3C)c2cc1OC ZINC000663820709 471533331 /nfs/dbraw/zinc/53/33/31/471533331.db2.gz YKXOYCABWNHAGD-UONOGXRCSA-N 2 2 345.443 2.143 10 0 EEAELP COc1cc2cc[nH+]c(N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)c2cc1OC ZINC000663820709 471533335 /nfs/dbraw/zinc/53/33/35/471533335.db2.gz YKXOYCABWNHAGD-UONOGXRCSA-N 2 2 345.443 2.143 10 0 EEAELP [NH3+]CC1(CCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000653221150 471540558 /nfs/dbraw/zinc/54/05/58/471540558.db2.gz KGZMQQJFLCSHRX-MRXNPFEDSA-N 2 2 333.501 2.022 10 0 EEAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655926405 471543928 /nfs/dbraw/zinc/54/39/28/471543928.db2.gz FITZDMYCLBUESP-GHMZBOCLSA-N 2 2 333.358 2.029 10 0 EEAELP Cc1cccc2c1CC[C@@H]2NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664007520 471607090 /nfs/dbraw/zinc/60/70/90/471607090.db2.gz PLLIZSCAKAZNMJ-SFHVURJKSA-N 2 2 332.492 2.165 10 0 EEAELP Cc1cccc2c1CC[C@@H]2NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664007520 471607093 /nfs/dbraw/zinc/60/70/93/471607093.db2.gz PLLIZSCAKAZNMJ-SFHVURJKSA-N 2 2 332.492 2.165 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)c2cc1OC ZINC000664021506 471612874 /nfs/dbraw/zinc/61/28/74/471612874.db2.gz JSIULIUPQVVKTG-KBPBESRZSA-N 2 2 345.443 2.143 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)c2cc1OC ZINC000664021506 471612878 /nfs/dbraw/zinc/61/28/78/471612878.db2.gz JSIULIUPQVVKTG-KBPBESRZSA-N 2 2 345.443 2.143 10 0 EEAELP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000664299089 471711380 /nfs/dbraw/zinc/71/13/80/471711380.db2.gz NENZEALKDLJSSI-SJORKVTESA-N 2 2 334.508 2.361 10 0 EEAELP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000664299089 471711386 /nfs/dbraw/zinc/71/13/86/471711386.db2.gz NENZEALKDLJSSI-SJORKVTESA-N 2 2 334.508 2.361 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000661401593 471743892 /nfs/dbraw/zinc/74/38/92/471743892.db2.gz CBDKZZCKFFXKSH-MRXNPFEDSA-N 2 2 345.491 2.094 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000661401593 471743897 /nfs/dbraw/zinc/74/38/97/471743897.db2.gz CBDKZZCKFFXKSH-MRXNPFEDSA-N 2 2 345.491 2.094 10 0 EEAELP Cc1cc(N2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)nc(C(C)C)[nH+]1 ZINC000659832798 471758996 /nfs/dbraw/zinc/75/89/96/471758996.db2.gz BTWBIQPHXKNTFA-CQSZACIVSA-N 2 2 340.418 2.455 10 0 EEAELP O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1 ZINC000667533614 471812251 /nfs/dbraw/zinc/81/22/51/471812251.db2.gz YAVSRYRUFIPJDN-IBGZPJMESA-N 2 2 347.422 2.331 10 0 EEAELP O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCN1 ZINC000667533614 471812256 /nfs/dbraw/zinc/81/22/56/471812256.db2.gz YAVSRYRUFIPJDN-IBGZPJMESA-N 2 2 347.422 2.331 10 0 EEAELP O[C@@]1(C2CC2)CCC[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661634064 471835060 /nfs/dbraw/zinc/83/50/60/471835060.db2.gz YXDYZESAONRJHM-NRFANRHFSA-N 2 2 343.515 2.436 10 0 EEAELP O[C@@]1(C2CC2)CCC[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000661634064 471835063 /nfs/dbraw/zinc/83/50/63/471835063.db2.gz YXDYZESAONRJHM-NRFANRHFSA-N 2 2 343.515 2.436 10 0 EEAELP CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000667666596 471860523 /nfs/dbraw/zinc/86/05/23/471860523.db2.gz SDUFZGBKNMYSLE-ROUUACIJSA-N 2 2 342.443 2.019 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000667706899 471874973 /nfs/dbraw/zinc/87/49/73/471874973.db2.gz KTCBDLVFHODFJC-SUMDDJOVSA-N 2 2 332.492 2.371 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000667706899 471874978 /nfs/dbraw/zinc/87/49/78/471874978.db2.gz KTCBDLVFHODFJC-SUMDDJOVSA-N 2 2 332.492 2.371 10 0 EEAELP O[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)C12CCC2 ZINC000661828186 471896396 /nfs/dbraw/zinc/89/63/96/471896396.db2.gz ROHNXFYTEHASJJ-RBUKOAKNSA-N 2 2 329.488 2.092 10 0 EEAELP O=C([C@@H]1CC12CC[NH+](Cc1c[nH+]c3n1CCC3)CC2)N1CCCCC1 ZINC000667952811 471960783 /nfs/dbraw/zinc/96/07/83/471960783.db2.gz HZELQIJQSYIQTR-KRWDZBQOSA-N 2 2 342.487 2.444 10 0 EEAELP c1cc(C[NH+]2CCN(c3cc(C4CC4)[nH]n3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000668012278 471977713 /nfs/dbraw/zinc/97/77/13/471977713.db2.gz XVBCGBAPQMGBSI-UHFFFAOYSA-N 2 2 349.442 2.190 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000662201523 472026259 /nfs/dbraw/zinc/02/62/59/472026259.db2.gz MPZPDEUMAVJZKX-SJLPKXTDSA-N 2 2 329.488 2.201 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000662201523 472026262 /nfs/dbraw/zinc/02/62/62/472026262.db2.gz MPZPDEUMAVJZKX-SJLPKXTDSA-N 2 2 329.488 2.201 10 0 EEAELP CC(C)(C[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1)C(N)=O ZINC000668205665 472046988 /nfs/dbraw/zinc/04/69/88/472046988.db2.gz UVXVZFPKDRWFEQ-OAHLLOKOSA-N 2 2 341.459 2.381 10 0 EEAELP Fc1ccc(C[N@H+](CCc2ccccn2)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662262983 472048715 /nfs/dbraw/zinc/04/87/15/472048715.db2.gz YTHWVUCVEDORHE-IBGZPJMESA-N 2 2 329.419 2.254 10 0 EEAELP Fc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000662262983 472048720 /nfs/dbraw/zinc/04/87/20/472048720.db2.gz YTHWVUCVEDORHE-IBGZPJMESA-N 2 2 329.419 2.254 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276375 472053152 /nfs/dbraw/zinc/05/31/52/472053152.db2.gz IESCPKSPFNNANJ-QAPCUYQASA-N 2 2 333.451 2.025 10 0 EEAELP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319179 472068264 /nfs/dbraw/zinc/06/82/64/472068264.db2.gz KBZXYCUVVYICIG-FUHWJXTLSA-N 2 2 339.524 2.209 10 0 EEAELP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319179 472068270 /nfs/dbraw/zinc/06/82/70/472068270.db2.gz KBZXYCUVVYICIG-FUHWJXTLSA-N 2 2 339.524 2.209 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)CCO1 ZINC000662320038 472069030 /nfs/dbraw/zinc/06/90/30/472069030.db2.gz CZQAGUDJJQXPGS-INIZCTEOSA-N 2 2 346.475 2.175 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+](CCCn2c3ccccc3[nH]c2=O)CCO1 ZINC000662320038 472069033 /nfs/dbraw/zinc/06/90/33/472069033.db2.gz CZQAGUDJJQXPGS-INIZCTEOSA-N 2 2 346.475 2.175 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCO1 ZINC000662322727 472071344 /nfs/dbraw/zinc/07/13/44/472071344.db2.gz SUNSPHNMPAOLNX-RTBURBONSA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCO1 ZINC000662322727 472071346 /nfs/dbraw/zinc/07/13/46/472071346.db2.gz SUNSPHNMPAOLNX-RTBURBONSA-N 2 2 345.487 2.049 10 0 EEAELP C[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[N@@H+]1CCc2sccc2C1 ZINC000662684852 472205533 /nfs/dbraw/zinc/20/55/33/472205533.db2.gz KKDWKKSVNUSKBN-LLVKDONJSA-N 2 2 348.472 2.107 10 0 EEAELP C[C@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)[N@H+]1CCc2sccc2C1 ZINC000662684852 472205538 /nfs/dbraw/zinc/20/55/38/472205538.db2.gz KKDWKKSVNUSKBN-LLVKDONJSA-N 2 2 348.472 2.107 10 0 EEAELP COCCOc1ccccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785008 472266889 /nfs/dbraw/zinc/26/68/89/472266889.db2.gz LFIATFNHPOUJSI-SFHVURJKSA-N 2 2 336.476 2.254 10 0 EEAELP COCCOc1ccccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668785008 472266896 /nfs/dbraw/zinc/26/68/96/472266896.db2.gz LFIATFNHPOUJSI-SFHVURJKSA-N 2 2 336.476 2.254 10 0 EEAELP CC(C)N(C)c1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cn1 ZINC000668785206 472266976 /nfs/dbraw/zinc/26/69/76/472266976.db2.gz NYHCBWRPTYUPFL-GOSISDBHSA-N 2 2 334.508 2.469 10 0 EEAELP CC(C)N(C)c1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cn1 ZINC000668785206 472266979 /nfs/dbraw/zinc/26/69/79/472266979.db2.gz NYHCBWRPTYUPFL-GOSISDBHSA-N 2 2 334.508 2.469 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(OC)c2F)nc[nH+]1 ZINC000192680603 485520439 /nfs/dbraw/zinc/52/04/39/485520439.db2.gz AMGFXXQYUYUQIB-CQSZACIVSA-N 2 2 345.422 2.425 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000674373497 485717447 /nfs/dbraw/zinc/71/74/47/485717447.db2.gz UQWGAYVYZFMKSL-MRXNPFEDSA-N 2 2 340.427 2.229 10 0 EEAELP Cc1cnc([C@H](C)[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)o1 ZINC000684206040 485807134 /nfs/dbraw/zinc/80/71/34/485807134.db2.gz BKLXABVCYULEQJ-KKUMJFAQSA-N 2 2 335.427 2.322 10 0 EEAELP Cc1cnc([C@H](C)[N@@H+](C)C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)o1 ZINC000684206040 485807139 /nfs/dbraw/zinc/80/71/39/485807139.db2.gz BKLXABVCYULEQJ-KKUMJFAQSA-N 2 2 335.427 2.322 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000671625892 485954086 /nfs/dbraw/zinc/95/40/86/485954086.db2.gz PIEVSPBBSRXTSR-SJKOYZFVSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)C[C@@H](O)C1CC1 ZINC000671625892 485954093 /nfs/dbraw/zinc/95/40/93/485954093.db2.gz PIEVSPBBSRXTSR-SJKOYZFVSA-N 2 2 328.416 2.106 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCCOC[C@H]2C)CC1 ZINC000676715330 486290548 /nfs/dbraw/zinc/29/05/48/486290548.db2.gz UUXSZTOPQNSIEA-QZTJIDSGSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCCOC[C@H]2C)CC1 ZINC000676715330 486290555 /nfs/dbraw/zinc/29/05/55/486290555.db2.gz UUXSZTOPQNSIEA-QZTJIDSGSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCC2CS(=O)(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000682497918 486486078 /nfs/dbraw/zinc/48/60/78/486486078.db2.gz KHNOMRUWSDBEQD-CRAIPNDOSA-N 2 2 336.501 2.064 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCC2CS(=O)(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000682497918 486486082 /nfs/dbraw/zinc/48/60/82/486486082.db2.gz KHNOMRUWSDBEQD-CRAIPNDOSA-N 2 2 336.501 2.064 10 0 EEAELP Cn1cc[nH+]c1CN1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000678242886 486598477 /nfs/dbraw/zinc/59/84/77/486598477.db2.gz RSBJRMYJGUWTOF-INIZCTEOSA-N 2 2 326.444 2.104 10 0 EEAELP COc1ccccc1N1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422831327 537061773 /nfs/dbraw/zinc/06/17/73/537061773.db2.gz DRYCUAMZYGKGCB-VQTJNVASSA-N 2 2 345.487 2.021 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000730785077 577055582 /nfs/dbraw/zinc/05/55/82/577055582.db2.gz DDSUDXWHUZTUPA-GASCZTMLSA-N 2 2 327.432 2.260 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000730785077 577055585 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COc1cc[nH+]cc1CC(=O)N(C)CC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001482605783 1187356763 /nfs/dbraw/zinc/35/67/63/1187356763.db2.gz GZLWWGVENGDTRK-ZACQAIPSSA-N 2 2 345.487 2.459 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)CC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001482605783 1187356764 /nfs/dbraw/zinc/35/67/64/1187356764.db2.gz GZLWWGVENGDTRK-ZACQAIPSSA-N 2 2 345.487 2.459 10 0 EEAELP CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001482659907 1187498395 /nfs/dbraw/zinc/49/83/95/1187498395.db2.gz SYKTYEDDOZUJLB-KDOFPFPSSA-N 2 2 342.443 2.136 10 0 EEAELP CCOCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc4c[nH+]ccc4[nH]3)CC[C@@H]21 ZINC001482659907 1187498400 /nfs/dbraw/zinc/49/84/00/1187498400.db2.gz SYKTYEDDOZUJLB-KDOFPFPSSA-N 2 2 342.443 2.136 10 0 EEAELP COCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001482665155 1187542780 /nfs/dbraw/zinc/54/27/80/1187542780.db2.gz BENIFPXMBPTVJA-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001482665155 1187542784 /nfs/dbraw/zinc/54/27/84/1187542784.db2.gz BENIFPXMBPTVJA-QZTJIDSGSA-N 2 2 348.491 2.013 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH2+]CCC2CCCC2)c(C)[nH+]1 ZINC001482751750 1187697952 /nfs/dbraw/zinc/69/79/52/1187697952.db2.gz ACEYKQVRTZKWNQ-KRWDZBQOSA-N 2 2 333.476 2.267 10 0 EEAELP CCOC1CC(C[NH2+]CC[C@H](C)NC(=O)c2cccc3[nH+]ccn32)C1 ZINC001482854706 1187776846 /nfs/dbraw/zinc/77/68/46/1187776846.db2.gz NXPPRFGZDITJMM-FHERZECASA-N 2 2 344.459 2.247 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C\C[NH2+]Cc3cccnc3C)ccn12 ZINC001483013079 1187997265 /nfs/dbraw/zinc/99/72/65/1187997265.db2.gz XEVMXOCEXOYWFO-ARJAWSKDSA-N 2 2 349.438 2.422 10 0 EEAELP O=C(NCC=CC[NH2+]C[C@H]1CCCCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001483024173 1188014116 /nfs/dbraw/zinc/01/41/16/1188014116.db2.gz SOOWKIIRRCZNDO-MPNWYJEXSA-N 2 2 328.416 2.008 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001691555361 1188257338 /nfs/dbraw/zinc/25/73/38/1188257338.db2.gz BNCBOOFEZDFXFI-UHFFFAOYSA-N 2 2 346.479 2.021 10 0 EEAELP CCc1cnc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)o1 ZINC001483068683 1188413863 /nfs/dbraw/zinc/41/38/63/1188413863.db2.gz MGMKMCLYFOIQIK-MXTKCAFNSA-N 2 2 346.475 2.016 10 0 EEAELP CCc1cnc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)o1 ZINC001483068683 1188413865 /nfs/dbraw/zinc/41/38/65/1188413865.db2.gz MGMKMCLYFOIQIK-MXTKCAFNSA-N 2 2 346.475 2.016 10 0 EEAELP Cc1nc(C)c(C[NH2+]C/C=C\CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)s1 ZINC001483069478 1188415850 /nfs/dbraw/zinc/41/58/50/1188415850.db2.gz RYDLSDSGPMIRBQ-QMAVJUDZSA-N 2 2 347.488 2.124 10 0 EEAELP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001483144973 1188761401 /nfs/dbraw/zinc/76/14/01/1188761401.db2.gz SWRCXCOJUQFUKC-YZJPHSQXSA-N 2 2 338.455 2.253 10 0 EEAELP CN(C(=O)Cc1c[nH+]cn1C)[C@@H](C[NH2+]CC=C(Cl)Cl)C1CC1 ZINC001485835942 1193590389 /nfs/dbraw/zinc/59/03/89/1193590389.db2.gz ZWKXBDUOEUVFSO-ZDUSSCGKSA-N 2 2 345.274 2.108 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483167950 1189004852 /nfs/dbraw/zinc/00/48/52/1189004852.db2.gz HVRSLRGWBZIWLC-MRVWCRGKSA-N 2 2 348.397 2.096 10 0 EEAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001409474587 1189791859 /nfs/dbraw/zinc/79/18/59/1189791859.db2.gz QNZUVTJLURLQGW-QWHCGFSZSA-N 2 2 328.407 2.191 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@H+](C)CCCC1CCC1 ZINC001409592298 1190087853 /nfs/dbraw/zinc/08/78/53/1190087853.db2.gz WVXNJSYJQJCWPL-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)[N@@H+](C)CCCC1CCC1 ZINC001409592298 1190087855 /nfs/dbraw/zinc/08/78/55/1190087855.db2.gz WVXNJSYJQJCWPL-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1 ZINC001409657272 1190155609 /nfs/dbraw/zinc/15/56/09/1190155609.db2.gz OCSKDUXKCFUNPS-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1 ZINC001409657272 1190155613 /nfs/dbraw/zinc/15/56/13/1190155613.db2.gz OCSKDUXKCFUNPS-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@H+](C)CCc1ccccc1 ZINC001409657272 1190155616 /nfs/dbraw/zinc/15/56/16/1190155616.db2.gz OCSKDUXKCFUNPS-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1 ZINC001409657272 1190155620 /nfs/dbraw/zinc/15/56/20/1190155620.db2.gz OCSKDUXKCFUNPS-CVEARBPZSA-N 2 2 328.460 2.268 10 0 EEAELP Cc1csc(C[NH2+]C[C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)n1 ZINC001483298305 1190320657 /nfs/dbraw/zinc/32/06/57/1190320657.db2.gz KATNZXNNWALXDG-GUYCJALGSA-N 2 2 346.500 2.349 10 0 EEAELP Cc1nc(C[NH2+]C[C@H](C)NC(=O)[C@H](c2ccccc2)[NH+](C)C)oc1C ZINC001483298032 1190320807 /nfs/dbraw/zinc/32/08/07/1190320807.db2.gz HCLMUQZWJOBHEQ-UGSOOPFHSA-N 2 2 344.459 2.189 10 0 EEAELP C[C@@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001483366462 1190409226 /nfs/dbraw/zinc/40/92/26/1190409226.db2.gz OTNOJSJAGRJRLV-YJBOKZPZSA-N 2 2 340.471 2.477 10 0 EEAELP C[C@@H](C[N@@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1[nH+]ccn1C ZINC001483366462 1190409228 /nfs/dbraw/zinc/40/92/28/1190409228.db2.gz OTNOJSJAGRJRLV-YJBOKZPZSA-N 2 2 340.471 2.477 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001483706530 1190785544 /nfs/dbraw/zinc/78/55/44/1190785544.db2.gz ORZMWFFMAXHAFJ-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001483706530 1190785547 /nfs/dbraw/zinc/78/55/47/1190785547.db2.gz ORZMWFFMAXHAFJ-QGZVFWFLSA-N 2 2 330.476 2.434 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)c(F)c2)C1 ZINC001409903084 1190987333 /nfs/dbraw/zinc/98/73/33/1190987333.db2.gz BGBADQSNYCGWAD-CYBMUJFWSA-N 2 2 348.397 2.106 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)c3cccc(C[NH+](C)C)c3)CC2)co1 ZINC001483794170 1191033258 /nfs/dbraw/zinc/03/32/58/1191033258.db2.gz PZNQMXGTPWFYOA-UHFFFAOYSA-N 2 2 342.443 2.097 10 0 EEAELP Cc1cnc(C[NH+]2CCC(C)(NC(=O)CCCC[NH+](C)C)CC2)o1 ZINC001483974812 1191137898 /nfs/dbraw/zinc/13/78/98/1191137898.db2.gz RPUCFYIHUOZZLP-UHFFFAOYSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1conc1C[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484073089 1191193709 /nfs/dbraw/zinc/19/37/09/1191193709.db2.gz IOWLUZZPGBQLJD-IBGZPJMESA-N 2 2 348.491 2.330 10 0 EEAELP Cc1conc1C[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484073089 1191193711 /nfs/dbraw/zinc/19/37/11/1191193711.db2.gz IOWLUZZPGBQLJD-IBGZPJMESA-N 2 2 348.491 2.330 10 0 EEAELP C[C@@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001484099323 1191210121 /nfs/dbraw/zinc/21/01/21/1191210121.db2.gz GNPCQYMCTFJGPB-LPHOPBHVSA-N 2 2 330.476 2.074 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CC[C@@H]2CCCO2)C1)c1c[nH+]c[nH]1 ZINC001484546143 1191408146 /nfs/dbraw/zinc/40/81/46/1191408146.db2.gz DCBLDIIHZIEGSR-CVEARBPZSA-N 2 2 348.491 2.085 10 0 EEAELP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)CC1 ZINC001484919385 1191575348 /nfs/dbraw/zinc/57/53/48/1191575348.db2.gz BDSIOPNVNOKCAZ-JKSUJKDBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]C/C(Cl)=C/Cl ZINC001484994807 1191609755 /nfs/dbraw/zinc/60/97/55/1191609755.db2.gz KTCAVORJUWYHLO-JTXXYJNRSA-N 2 2 345.274 2.249 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001485315822 1191731706 /nfs/dbraw/zinc/73/17/06/1191731706.db2.gz MIOOJGXKHZIDJE-CQSZACIVSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001485315822 1191731708 /nfs/dbraw/zinc/73/17/08/1191731708.db2.gz MIOOJGXKHZIDJE-CQSZACIVSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001485315822 1191731710 /nfs/dbraw/zinc/73/17/10/1191731710.db2.gz MIOOJGXKHZIDJE-CQSZACIVSA-N 2 2 339.443 2.460 10 0 EEAELP C[C@H](CNC(=O)CCc1c[nH+]c[nH]1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001485315822 1191731712 /nfs/dbraw/zinc/73/17/12/1191731712.db2.gz MIOOJGXKHZIDJE-CQSZACIVSA-N 2 2 339.443 2.460 10 0 EEAELP Cc1nc(CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001485360614 1191753607 /nfs/dbraw/zinc/75/36/07/1191753607.db2.gz PFUMMWSNKHMUQO-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1nc(CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cs1 ZINC001485360614 1191753609 /nfs/dbraw/zinc/75/36/09/1191753609.db2.gz PFUMMWSNKHMUQO-OLZOCXBDSA-N 2 2 349.504 2.032 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1cscn1)CC2 ZINC001486153180 1193703290 /nfs/dbraw/zinc/70/32/90/1193703290.db2.gz CMMOAVXPKGPYBY-RDJZCZTQSA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1cscn1)CC2 ZINC001486153180 1193703292 /nfs/dbraw/zinc/70/32/92/1193703292.db2.gz CMMOAVXPKGPYBY-RDJZCZTQSA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1cscn1)CC2 ZINC001486153180 1193703294 /nfs/dbraw/zinc/70/32/94/1193703294.db2.gz CMMOAVXPKGPYBY-RDJZCZTQSA-N 2 2 336.505 2.097 10 0 EEAELP CC(C)(C)[C@@H](C[NH2+]CC[C@H]1CCCCO1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001486413347 1193922748 /nfs/dbraw/zinc/92/27/48/1193922748.db2.gz FXGVEWMXJOVDSP-HZPDHXFCSA-N 2 2 336.480 2.032 10 0 EEAELP CCCC[NH2+][C@@H]1CN(C(=O)Cc2[nH]c[nH+]c2C)CC[C@@H]1C(F)(F)F ZINC001486453019 1193975235 /nfs/dbraw/zinc/97/52/35/1193975235.db2.gz UAZBZYVLBJLCQI-GXTWGEPZSA-N 2 2 346.397 2.430 10 0 EEAELP C[C@H](CC[NH2+]C[C@@H]1CCCC(F)(F)C1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001273044281 1194348946 /nfs/dbraw/zinc/34/89/46/1194348946.db2.gz KSJXBCDSCNPRJJ-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CCC2(C1)CC[NH+](CCCCCF)CC2 ZINC001671059937 1195261834 /nfs/dbraw/zinc/26/18/34/1195261834.db2.gz SXVOWTOAFXCMMX-UHFFFAOYSA-N 2 2 336.455 2.407 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1C[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001409976654 1196097795 /nfs/dbraw/zinc/09/77/95/1196097795.db2.gz RBVJSTXNFNMAAE-ZIAGYGMSSA-N 2 2 330.407 2.220 10 0 EEAELP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001410243536 1197628929 /nfs/dbraw/zinc/62/89/29/1197628929.db2.gz WNFLMHPFATXIDH-HUUCEWRRSA-N 2 2 336.455 2.116 10 0 EEAELP CC[C@@H](F)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001410243536 1197628931 /nfs/dbraw/zinc/62/89/31/1197628931.db2.gz WNFLMHPFATXIDH-HUUCEWRRSA-N 2 2 336.455 2.116 10 0 EEAELP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C[N@@H+]1Cc1ccccc1 ZINC000865660391 1198321069 /nfs/dbraw/zinc/32/10/69/1198321069.db2.gz ZFAOTYDZXOWFAU-NZSAHSFTSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)C[N@H+]1Cc1ccccc1 ZINC000865660391 1198321074 /nfs/dbraw/zinc/32/10/74/1198321074.db2.gz ZFAOTYDZXOWFAU-NZSAHSFTSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)C[NH+]1Cc1ccccc1 ZINC000865660391 1198321081 /nfs/dbraw/zinc/32/10/81/1198321081.db2.gz ZFAOTYDZXOWFAU-NZSAHSFTSA-N 2 2 331.504 2.084 10 0 EEAELP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](CC(C)(C)O)C2)C[NH+]1Cc1ccccc1 ZINC000865660391 1198321089 /nfs/dbraw/zinc/32/10/89/1198321089.db2.gz ZFAOTYDZXOWFAU-NZSAHSFTSA-N 2 2 331.504 2.084 10 0 EEAELP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911801 1198566035 /nfs/dbraw/zinc/56/60/35/1198566035.db2.gz SBRWHSIOCDKJKR-LPHOPBHVSA-N 2 2 348.491 2.266 10 0 EEAELP C[N@@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911801 1198566037 /nfs/dbraw/zinc/56/60/37/1198566037.db2.gz SBRWHSIOCDKJKR-LPHOPBHVSA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911801 1198566041 /nfs/dbraw/zinc/56/60/41/1198566041.db2.gz SBRWHSIOCDKJKR-LPHOPBHVSA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+](CC(=O)N[C@]12CCC[C@@H]1[N@@H+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911801 1198566044 /nfs/dbraw/zinc/56/60/44/1198566044.db2.gz SBRWHSIOCDKJKR-LPHOPBHVSA-N 2 2 348.491 2.266 10 0 EEAELP CC(C)CC[NH+]1CCC(C2(NC(=O)Cc3c[nH+]cn3C)CC2)CC1 ZINC001411255789 1198983511 /nfs/dbraw/zinc/98/35/11/1198983511.db2.gz MUADPAUSCSRHCM-UHFFFAOYSA-N 2 2 332.492 2.370 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)C1 ZINC000870089423 1200459088 /nfs/dbraw/zinc/45/90/88/1200459088.db2.gz CEDPFWUTXVUYRD-LPHOPBHVSA-N 2 2 349.450 2.078 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N2CC[NH2+][C@H](c3ccc(O)cc3)C2)C1 ZINC000870089423 1200459093 /nfs/dbraw/zinc/45/90/93/1200459093.db2.gz CEDPFWUTXVUYRD-LPHOPBHVSA-N 2 2 349.450 2.078 10 0 EEAELP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707670 1201586259 /nfs/dbraw/zinc/58/62/59/1201586259.db2.gz VQHSJIWFGRUVRP-KDOFPFPSSA-N 2 2 335.496 2.061 10 0 EEAELP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707670 1201586266 /nfs/dbraw/zinc/58/62/66/1201586266.db2.gz VQHSJIWFGRUVRP-KDOFPFPSSA-N 2 2 335.496 2.061 10 0 EEAELP c1ccc(-c2nnn(CCCCC[N@@H+]3CCC[C@@H]4[NH2+]CC[C@H]43)n2)cc1 ZINC000866725671 1201590442 /nfs/dbraw/zinc/59/04/42/1201590442.db2.gz SGQCMXCPJYZESN-ZWKOTPCHSA-N 2 2 340.475 2.337 10 0 EEAELP c1ccc(-c2nnn(CCCCC[N@H+]3CCC[C@@H]4[NH2+]CC[C@H]43)n2)cc1 ZINC000866725671 1201590445 /nfs/dbraw/zinc/59/04/45/1201590445.db2.gz SGQCMXCPJYZESN-ZWKOTPCHSA-N 2 2 340.475 2.337 10 0 EEAELP O=S(=O)(CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000886627010 1202535974 /nfs/dbraw/zinc/53/59/74/1202535974.db2.gz QPBGFIVJQGMAEC-KSZLIROESA-N 2 2 348.512 2.206 10 0 EEAELP O=S(=O)(CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000886627010 1202535975 /nfs/dbraw/zinc/53/59/75/1202535975.db2.gz QPBGFIVJQGMAEC-KSZLIROESA-N 2 2 348.512 2.206 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001274104724 1204373904 /nfs/dbraw/zinc/37/39/04/1204373904.db2.gz CJXKCFFBAUDVRR-KWWITBOBSA-N 2 2 342.418 2.423 10 0 EEAELP CCCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCOCC2)CC1 ZINC001274381485 1205017246 /nfs/dbraw/zinc/01/72/46/1205017246.db2.gz BJMDBMPADGOIPP-UHFFFAOYSA-N 2 2 339.524 2.258 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC/C=C\C[NH2+][C@H](C)c1c(F)cccc1F ZINC001274578967 1205085922 /nfs/dbraw/zinc/08/59/22/1205085922.db2.gz QPPYMSRYFHRIQE-DHCBQETCSA-N 2 2 348.397 2.493 10 0 EEAELP C[C@H](C[NH2+]CC[C@@H]1CCCO1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001274863510 1205192079 /nfs/dbraw/zinc/19/20/79/1205192079.db2.gz BOPCOONHUOHJSK-QAPCUYQASA-N 2 2 342.443 2.149 10 0 EEAELP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001275120901 1205262177 /nfs/dbraw/zinc/26/21/77/1205262177.db2.gz IEFIIXVYOLSDPV-IRXDYDNUSA-N 2 2 330.476 2.335 10 0 EEAELP CC(C)=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001275120901 1205262179 /nfs/dbraw/zinc/26/21/79/1205262179.db2.gz IEFIIXVYOLSDPV-IRXDYDNUSA-N 2 2 330.476 2.335 10 0 EEAELP Cc1ccc(C(=O)NCC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1F ZINC000924632766 1206007245 /nfs/dbraw/zinc/00/72/45/1206007245.db2.gz FJKFSDUOBWRHTB-ZWKOTPCHSA-N 2 2 333.451 2.470 10 0 EEAELP Cc1ccc(C(=O)NCC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1F ZINC000924632766 1206007249 /nfs/dbraw/zinc/00/72/49/1206007249.db2.gz FJKFSDUOBWRHTB-ZWKOTPCHSA-N 2 2 333.451 2.470 10 0 EEAELP COC1(OC)CC[C@@H]1[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000925150353 1206076482 /nfs/dbraw/zinc/07/64/82/1206076482.db2.gz XJITUPYPWZBNAU-SFHVURJKSA-N 2 2 333.476 2.463 10 0 EEAELP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623062 1206136842 /nfs/dbraw/zinc/13/68/42/1206136842.db2.gz OOHKXXZGXURRJJ-YSTOQKLRSA-N 3 2 345.531 2.365 10 0 EEAELP CC1(C)C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]([NH3+])C1 ZINC000925623062 1206136844 /nfs/dbraw/zinc/13/68/44/1206136844.db2.gz OOHKXXZGXURRJJ-YSTOQKLRSA-N 3 2 345.531 2.365 10 0 EEAELP CN(C(=O)NCCC1CC=CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000926720418 1206239614 /nfs/dbraw/zinc/23/96/14/1206239614.db2.gz AXZBQQMORAPUAE-GOSISDBHSA-N 2 2 334.508 2.153 10 0 EEAELP CN(C(=O)NCCC1CC=CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000926720418 1206239615 /nfs/dbraw/zinc/23/96/15/1206239615.db2.gz AXZBQQMORAPUAE-GOSISDBHSA-N 2 2 334.508 2.153 10 0 EEAELP CN(C)c1cc[nH+]c(CNC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)c1 ZINC000927694374 1206291802 /nfs/dbraw/zinc/29/18/02/1206291802.db2.gz DWCRREBJZUAAQW-ZDUSSCGKSA-N 2 2 341.337 2.154 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931304012 1206623318 /nfs/dbraw/zinc/62/33/18/1206623318.db2.gz JXNZOWNCRUVDNW-FFZOFVMBSA-N 2 2 348.487 2.099 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)cc1 ZINC000931304012 1206623319 /nfs/dbraw/zinc/62/33/19/1206623319.db2.gz JXNZOWNCRUVDNW-FFZOFVMBSA-N 2 2 348.487 2.099 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)cc1 ZINC000931304012 1206623320 /nfs/dbraw/zinc/62/33/20/1206623320.db2.gz JXNZOWNCRUVDNW-FFZOFVMBSA-N 2 2 348.487 2.099 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)cc1 ZINC000931304012 1206623321 /nfs/dbraw/zinc/62/33/21/1206623321.db2.gz JXNZOWNCRUVDNW-FFZOFVMBSA-N 2 2 348.487 2.099 10 0 EEAELP CC[NH+]1CCC(C(=O)NCCc2c[nH+]cn2C)(c2ccccc2)CC1 ZINC001412829330 1209979419 /nfs/dbraw/zinc/97/94/19/1209979419.db2.gz ZTAAWBBSLDDKPP-UHFFFAOYSA-N 2 2 340.471 2.133 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1csc(C2CC2)n1 ZINC001276353466 1213897092 /nfs/dbraw/zinc/89/70/92/1213897092.db2.gz OQEDNFGZWMDWCF-UHFFFAOYSA-N 2 2 347.488 2.233 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000248624410 1214881370 /nfs/dbraw/zinc/88/13/70/1214881370.db2.gz FAZHURKRBVWTTA-IRXDYDNUSA-N 2 2 346.475 2.480 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000248624410 1214881377 /nfs/dbraw/zinc/88/13/77/1214881377.db2.gz FAZHURKRBVWTTA-IRXDYDNUSA-N 2 2 346.475 2.480 10 0 EEAELP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1(C)C ZINC001413196179 1234684996 /nfs/dbraw/zinc/68/49/96/1234684996.db2.gz WWLMTDLYEXBUPN-CVEARBPZSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000902952588 1239176635 /nfs/dbraw/zinc/17/66/35/1239176635.db2.gz YMLIQCVLGAFVRR-RHSMWYFYSA-N 2 2 333.457 2.490 10 0 EEAELP C[NH+](C)CC[C@@H]([NH2+]C1CCN(c2cnccn2)CC1)c1cccnc1 ZINC000903384340 1240359705 /nfs/dbraw/zinc/35/97/05/1240359705.db2.gz QORKMLNFBUWHMM-GOSISDBHSA-N 2 2 340.475 2.123 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@@H]1C[NH2+]CCCOC(C)C ZINC001491274353 1258872333 /nfs/dbraw/zinc/87/23/33/1258872333.db2.gz QJWPXOUBUJXECH-MRXNPFEDSA-N 2 2 336.480 2.046 10 0 EEAELP COCCC[NH2+]C1CCC(NC(=O)c2ccn3c(C)c[nH+]c3c2)CC1 ZINC001491353826 1258985623 /nfs/dbraw/zinc/98/56/23/1258985623.db2.gz BMFNGBSVLXJILR-UHFFFAOYSA-N 2 2 344.459 2.310 10 0 EEAELP COc1cc[nH+]cc1CC(=O)NC[C@@H](C)[NH2+]CCc1ccc(C)cc1 ZINC001491494793 1259144075 /nfs/dbraw/zinc/14/40/75/1259144075.db2.gz GQUVMAQABHQHHL-MRXNPFEDSA-N 2 2 341.455 2.278 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(Cl)c1 ZINC001491508855 1259152885 /nfs/dbraw/zinc/15/28/85/1259152885.db2.gz YIBDQZCJOWREFT-HIFRSBDPSA-N 2 2 346.862 2.393 10 0 EEAELP CCN(CC[NH2+]Cc1cc(C)ns1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001273637432 1281956980 /nfs/dbraw/zinc/95/69/80/1281956980.db2.gz JUQSCZVNOBDAAE-CQSZACIVSA-N 2 2 335.477 2.237 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001273680484 1283220989 /nfs/dbraw/zinc/22/09/89/1283220989.db2.gz GLXYOELVAHKDII-ZDUSSCGKSA-N 2 2 328.407 2.216 10 0 EEAELP CC(C)CC[NH2+]Cc1nc2c(s1)CCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001489338179 1290522125 /nfs/dbraw/zinc/52/21/25/1290522125.db2.gz XAKUFSWLYSIVCD-UHFFFAOYSA-N 2 2 347.488 2.129 10 0 EEAELP CCO[C@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC001489338526 1290522886 /nfs/dbraw/zinc/52/28/86/1290522886.db2.gz LTJHBVHZSUCIDQ-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CCO[C@H](C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C1CC1 ZINC001489338526 1290522893 /nfs/dbraw/zinc/52/28/93/1290522893.db2.gz LTJHBVHZSUCIDQ-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CC[N@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@@H]1CCCCO1 ZINC001490337414 1291234568 /nfs/dbraw/zinc/23/45/68/1291234568.db2.gz WWWUQAYDCOYOPB-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1cccc2[nH+]ccn21)C[C@@H]1CCCCO1 ZINC001490337414 1291234576 /nfs/dbraw/zinc/23/45/76/1291234576.db2.gz WWWUQAYDCOYOPB-INIZCTEOSA-N 2 2 344.459 2.345 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760633 1292189719 /nfs/dbraw/zinc/18/97/19/1292189719.db2.gz JVYVCYGCTIHJIQ-QZTJIDSGSA-N 2 2 347.459 2.054 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)CCO1 ZINC000852760633 1292189724 /nfs/dbraw/zinc/18/97/24/1292189724.db2.gz JVYVCYGCTIHJIQ-QZTJIDSGSA-N 2 2 347.459 2.054 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585195 1293573100 /nfs/dbraw/zinc/57/31/00/1293573100.db2.gz ANUDQDYEYNWLHW-QUCCMNQESA-N 3 2 346.519 2.471 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585195 1293573105 /nfs/dbraw/zinc/57/31/05/1293573105.db2.gz ANUDQDYEYNWLHW-QUCCMNQESA-N 3 2 346.519 2.471 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585195 1293573110 /nfs/dbraw/zinc/57/31/10/1293573110.db2.gz ANUDQDYEYNWLHW-QUCCMNQESA-N 3 2 346.519 2.471 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585195 1293573116 /nfs/dbraw/zinc/57/31/16/1293573116.db2.gz ANUDQDYEYNWLHW-QUCCMNQESA-N 3 2 346.519 2.471 10 0 EEAELP C[C@@H](CCC[NH2+]Cc1nc2ccccc2o1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001277306549 1302299172 /nfs/dbraw/zinc/29/91/72/1302299172.db2.gz VPYZHFKGEGVGAY-ZDUSSCGKSA-N 2 2 341.415 2.168 10 0 EEAELP CCOCC[NH+]1CCC2(CCN(C(=O)C(C)(C)c3c[nH+]c[nH]3)C2)CC1 ZINC001277496042 1303680532 /nfs/dbraw/zinc/68/05/32/1303680532.db2.gz LVEBDZMAGJHCAO-UHFFFAOYSA-N 2 2 348.491 2.038 10 0 EEAELP C[C@@H]1[C@@H]([NH2+]CCCC2CCOCC2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001278282809 1308957778 /nfs/dbraw/zinc/95/77/78/1308957778.db2.gz DTXDZOOGNRXZBD-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP CCOCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278405016 1310083271 /nfs/dbraw/zinc/08/32/71/1310083271.db2.gz KHKHKDGFZKGGEI-AEFFLSMTSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001278405016 1310083279 /nfs/dbraw/zinc/08/32/79/1310083279.db2.gz KHKHKDGFZKGGEI-AEFFLSMTSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001278504496 1310888949 /nfs/dbraw/zinc/88/89/49/1310888949.db2.gz MQZXUCORKSPYGQ-HXUWFJFHSA-N 2 2 340.471 2.413 10 0 EEAELP C[C@]1(C[NH2+]CCc2ccccc2)CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001278504496 1310888958 /nfs/dbraw/zinc/88/89/58/1310888958.db2.gz MQZXUCORKSPYGQ-HXUWFJFHSA-N 2 2 340.471 2.413 10 0 EEAELP C[C@]1(C[NH2+]CCCc2ccsc2)CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001278556910 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Cc1cccc(CCC[NH2+][C@H]2C[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001661455439 1354641232 /nfs/dbraw/zinc/64/12/32/1354641232.db2.gz LKYCFKMLNNZJBK-WGSAOQKQSA-N 2 2 340.471 2.451 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCOCC1 ZINC001663119542 1354920927 /nfs/dbraw/zinc/92/09/27/1354920927.db2.gz KGPIPDVUQSKSGU-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCOCC1 ZINC001663119542 1354920932 /nfs/dbraw/zinc/92/09/32/1354920932.db2.gz KGPIPDVUQSKSGU-QGZVFWFLSA-N 2 2 348.491 2.048 10 0 EEAELP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001664028905 1355076923 /nfs/dbraw/zinc/07/69/23/1355076923.db2.gz PBQPMQCKBZEOBL-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CCc1nc(C[NH2+]CCN(C)C(=O)Cn2cc[nH+]c2C(C)C)cs1 ZINC001664224106 1355116201 /nfs/dbraw/zinc/11/62/01/1355116201.db2.gz ZEWDEIPPNLPCOS-UHFFFAOYSA-N 2 2 349.504 2.274 10 0 EEAELP CN(CC[NH2+]Cc1ncc(C2CC2)o1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001664309075 1355135236 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10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1F ZINC001668289523 1355916732 /nfs/dbraw/zinc/91/67/32/1355916732.db2.gz VNQFKZIQFXDTRD-NSHDSACASA-N 2 2 336.386 2.223 10 0 EEAELP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001668528317 1355957700 /nfs/dbraw/zinc/95/77/00/1355957700.db2.gz DLLPPDVVWVWHGJ-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP CC[C@@H](C)C[NH2+]CCN(CC)C(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001668528317 1355957701 /nfs/dbraw/zinc/95/77/01/1355957701.db2.gz DLLPPDVVWVWHGJ-SJLPKXTDSA-N 2 2 339.524 2.114 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCc2ccccc2C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001668596779 1355969548 /nfs/dbraw/zinc/96/95/48/1355969548.db2.gz HAWFXSAYYDMQGC-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP COCC[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCCC1 ZINC001675180299 1356942876 /nfs/dbraw/zinc/94/28/76/1356942876.db2.gz VIDIUSPQOKYDOI-UHFFFAOYSA-N 2 2 344.459 2.311 10 0 EEAELP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001675597973 1357011188 /nfs/dbraw/zinc/01/11/88/1357011188.db2.gz FYSAQPBOIJTDEX-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001675597973 1357011193 /nfs/dbraw/zinc/01/11/93/1357011193.db2.gz FYSAQPBOIJTDEX-QAPCUYQASA-N 2 2 348.491 2.128 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC/C=C/C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001699338837 1405340802 /nfs/dbraw/zinc/34/08/02/1405340802.db2.gz UMFNATJZQOPTAG-RCAFFNEUSA-N 2 2 342.418 2.349 10 0 EEAELP CC(C)[NH+]1CCC(NC(=O)Cn2c[nH+]c(Cc3ccccc3)c2)CC1 ZINC000919145129 769638229 /nfs/dbraw/zinc/63/82/29/769638229.db2.gz XBUJGKPKLQDYRI-UHFFFAOYSA-N 2 2 340.471 2.463 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Br)cc1 ZINC000819322649 785507224 /nfs/dbraw/zinc/50/72/24/785507224.db2.gz UUSYFUYJPXKKLG-SWLSCSKDSA-N 2 2 336.233 2.353 10 0 EEAELP Cc1ncccc1/C=C\C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000823266993 787645682 /nfs/dbraw/zinc/64/56/82/787645682.db2.gz LKHZUUMBXZUDBM-LIXSYLKWSA-N 2 2 342.487 2.030 10 0 EEAELP Cc1ncccc1/C=C\C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000823266993 787645686 /nfs/dbraw/zinc/64/56/86/787645686.db2.gz LKHZUUMBXZUDBM-LIXSYLKWSA-N 2 2 342.487 2.030 10 0 EEAELP CN(CC(F)F)C1CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000824889422 788352098 /nfs/dbraw/zinc/35/20/98/788352098.db2.gz PPOOMARTJAHBPX-UHFFFAOYSA-N 2 2 335.402 2.429 10 0 EEAELP C[C@]12CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]1(C)C[NH+](Cc1ccccc1)C2 ZINC000913083942 788614993 /nfs/dbraw/zinc/61/49/93/788614993.db2.gz FYPZFXITENGLMQ-PMACEKPBSA-N 2 2 338.455 2.323 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cn(C)nn1 ZINC000715861856 795543763 /nfs/dbraw/zinc/54/37/63/795543763.db2.gz TWWATEPZPBFURU-DZJNRPSUSA-N 2 2 325.460 2.376 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cn(C)nn1 ZINC000715861856 795543765 /nfs/dbraw/zinc/54/37/65/795543765.db2.gz TWWATEPZPBFURU-DZJNRPSUSA-N 2 2 325.460 2.376 10 0 EEAELP C[NH+]1CCC(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC1 ZINC000952881089 796064182 /nfs/dbraw/zinc/06/41/82/796064182.db2.gz DYOODAVZEWKQAG-UHFFFAOYSA-N 2 2 342.443 2.378 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1NCC1([NH+](C)Cc2ccccc2)CCOCC1 ZINC000922743933 801811309 /nfs/dbraw/zinc/81/13/09/801811309.db2.gz AAWPMISUZUYPMM-PKOBYXMFSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1NCC1([NH+](C)Cc2ccccc2)CCOCC1 ZINC000922743933 801811314 /nfs/dbraw/zinc/81/13/14/801811314.db2.gz AAWPMISUZUYPMM-PKOBYXMFSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H]1C[NH+](C)C[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCOCC1 ZINC000922743933 801811319 /nfs/dbraw/zinc/81/13/19/801811319.db2.gz AAWPMISUZUYPMM-PKOBYXMFSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@H]1C[NH+](C)C[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000922743933 801811341 /nfs/dbraw/zinc/81/13/41/801811341.db2.gz AAWPMISUZUYPMM-PKOBYXMFSA-N 2 2 331.504 2.207 10 0 EEAELP C[C@@H]1C[C@@H](C[N@H+](C)CCCNC(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001566465968 1125625975 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2.280 10 0 EEAELP Cc1cnc(C[NH+]2CCC(N(C)C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001436670546 1088112881 /nfs/dbraw/zinc/11/28/81/1088112881.db2.gz ZFGSWDBCMPKAGD-INIZCTEOSA-N 2 2 348.491 2.280 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001436952831 1088638997 /nfs/dbraw/zinc/63/89/97/1088638997.db2.gz LFWLVQUFYMDZLF-GASCZTMLSA-N 2 2 334.370 2.058 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[NH2+]Cc1oc(C)nc1C ZINC001437132929 1089121970 /nfs/dbraw/zinc/12/19/70/1089121970.db2.gz RLUUWQFONLDQCT-OLZOCXBDSA-N 2 2 347.463 2.296 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001437358358 1089587628 /nfs/dbraw/zinc/58/76/28/1089587628.db2.gz PSLFJLXPYGAUPT-QGZVFWFLSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)Cc2coc(C3CC3)n2)C1 ZINC001437358358 1089587642 /nfs/dbraw/zinc/58/76/42/1089587642.db2.gz PSLFJLXPYGAUPT-QGZVFWFLSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001437358358 1089587668 /nfs/dbraw/zinc/58/76/68/1089587668.db2.gz PSLFJLXPYGAUPT-QGZVFWFLSA-N 2 2 348.491 2.315 10 0 EEAELP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2coc(C3CC3)n2)C1 ZINC001437358358 1089587675 /nfs/dbraw/zinc/58/76/75/1089587675.db2.gz PSLFJLXPYGAUPT-QGZVFWFLSA-N 2 2 348.491 2.315 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)Cc1nc2ccccc2o1 ZINC001437566133 1090043631 /nfs/dbraw/zinc/04/36/31/1090043631.db2.gz RMVXWQUULSPQIT-HUUCEWRRSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001437566133 1090043638 /nfs/dbraw/zinc/04/36/38/1090043638.db2.gz RMVXWQUULSPQIT-HUUCEWRRSA-N 2 2 344.459 2.249 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1ccc(C2CC2)cc1 ZINC001437640776 1090160083 /nfs/dbraw/zinc/16/00/83/1090160083.db2.gz PTCVBCBEUZZSAW-UHFFFAOYSA-N 2 2 340.471 2.478 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)Cc1ccc(C2CC2)cc1 ZINC001437640776 1090160087 /nfs/dbraw/zinc/16/00/87/1090160087.db2.gz PTCVBCBEUZZSAW-UHFFFAOYSA-N 2 2 340.471 2.478 10 0 EEAELP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)Cc1cnc(C)o1 ZINC001437647865 1090169478 /nfs/dbraw/zinc/16/94/78/1090169478.db2.gz DODJNRKMJCOFGF-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)Cc1cnc(C)o1 ZINC001437647865 1090169481 /nfs/dbraw/zinc/16/94/81/1090169481.db2.gz DODJNRKMJCOFGF-QGZVFWFLSA-N 2 2 336.480 2.042 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001438229861 1090709418 /nfs/dbraw/zinc/70/94/18/1090709418.db2.gz IQYBBETXIJFRTH-DZGCQCFKSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1)n1cc[nH+]c1 ZINC001438229861 1090709422 /nfs/dbraw/zinc/70/94/22/1090709422.db2.gz IQYBBETXIJFRTH-DZGCQCFKSA-N 2 2 340.418 2.412 10 0 EEAELP C[C@H](CC(=O)N[C@](C)(C[NH2+]Cc1cccnc1)C1CC1)n1cc[nH+]c1 ZINC001438423923 1090919458 /nfs/dbraw/zinc/91/94/58/1090919458.db2.gz DKECEMZJSSRYQA-DNVCBOLYSA-N 2 2 341.459 2.304 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC001445410229 1091160669 /nfs/dbraw/zinc/16/06/69/1091160669.db2.gz PENMFKVVRIFLEI-GFCCVEGCSA-N 2 2 349.504 2.240 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001438685008 1091182698 /nfs/dbraw/zinc/18/26/98/1091182698.db2.gz FQBGOXGZEZNTEJ-HIFRSBDPSA-N 2 2 343.475 2.237 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001438685008 1091182705 /nfs/dbraw/zinc/18/27/05/1091182705.db2.gz FQBGOXGZEZNTEJ-HIFRSBDPSA-N 2 2 343.475 2.237 10 0 EEAELP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001445566732 1091343662 /nfs/dbraw/zinc/34/36/62/1091343662.db2.gz AKQORMIYNLPACB-YJBOKZPZSA-N 2 2 340.471 2.302 10 0 EEAELP C[C@H](C[N@H+](C)Cc1sccc1Cl)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691154 1091490888 /nfs/dbraw/zinc/49/08/88/1091490888.db2.gz TWQKUJQLZACVCQ-YPMHNXCESA-N 2 2 329.897 2.432 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1sccc1Cl)NC(=O)[C@@H]1CCC[NH+]1C ZINC001445691154 1091490895 /nfs/dbraw/zinc/49/08/95/1091490895.db2.gz TWQKUJQLZACVCQ-YPMHNXCESA-N 2 2 329.897 2.432 10 0 EEAELP C[C@H](C[NH+](C)Cc1sccc1Cl)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001445691154 1091490900 /nfs/dbraw/zinc/49/09/00/1091490900.db2.gz TWQKUJQLZACVCQ-YPMHNXCESA-N 2 2 329.897 2.432 10 0 EEAELP C[C@H](C[NH+](C)Cc1sccc1Cl)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001445691154 1091490903 /nfs/dbraw/zinc/49/09/03/1091490903.db2.gz TWQKUJQLZACVCQ-YPMHNXCESA-N 2 2 329.897 2.432 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001439158828 1091802373 /nfs/dbraw/zinc/80/23/73/1091802373.db2.gz YDMCENNVIHBISC-KCPJHIHWSA-N 2 2 332.835 2.461 10 0 EEAELP C[C@H](C[NH2+]Cc1cccc(Cl)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001439158828 1091802379 /nfs/dbraw/zinc/80/23/79/1091802379.db2.gz YDMCENNVIHBISC-KCPJHIHWSA-N 2 2 332.835 2.461 10 0 EEAELP C[C@@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)NC(=O)CCn1cc[nH+]c1 ZINC001439234791 1091880767 /nfs/dbraw/zinc/88/07/67/1091880767.db2.gz DPBCISZIKWXSDE-YVEFUNNKSA-N 2 2 348.397 2.333 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001439251609 1091900860 /nfs/dbraw/zinc/90/08/60/1091900860.db2.gz HULKFDRURGAYMK-IAOVAPTHSA-N 2 2 344.434 2.266 10 0 EEAELP O=C(N[C@@H](C[NH2+]Cc1ccccc1)C1CC1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001445961725 1091911233 /nfs/dbraw/zinc/91/12/33/1091911233.db2.gz ROUQGQKSWNFESZ-MSOLQXFVSA-N 2 2 338.455 2.130 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)c(C)o1 ZINC001446248494 1092369355 /nfs/dbraw/zinc/36/93/55/1092369355.db2.gz XFGGDIHKKPJROO-CQSZACIVSA-N 2 2 348.491 2.294 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@@H+]2CC2CC(F)(F)C2)c[nH+]1 ZINC001439533679 1092393974 /nfs/dbraw/zinc/39/39/74/1092393974.db2.gz GIVQKEUNVTXTBT-AWEZNQCLSA-N 2 2 340.418 2.162 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CC[N@H+]2CC2CC(F)(F)C2)c[nH+]1 ZINC001439533679 1092393980 /nfs/dbraw/zinc/39/39/80/1092393980.db2.gz GIVQKEUNVTXTBT-AWEZNQCLSA-N 2 2 340.418 2.162 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C2CCCC2)o1 ZINC001439810817 1092775514 /nfs/dbraw/zinc/77/55/14/1092775514.db2.gz BRPBLADGOZBQNU-IAGOWNOFSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C2CCCC2)o1 ZINC001439810817 1092775521 /nfs/dbraw/zinc/77/55/21/1092775521.db2.gz BRPBLADGOZBQNU-IAGOWNOFSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@H+](CC2CC(F)(F)C2)C1 ZINC001439950379 1093066595 /nfs/dbraw/zinc/06/65/95/1093066595.db2.gz QOOVTNJDWGJRMA-INIZCTEOSA-N 2 2 340.418 2.147 10 0 EEAELP C[C@@]1(CNC(=O)Cn2cc[nH+]c2)CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001439950379 1093066603 /nfs/dbraw/zinc/06/66/03/1093066603.db2.gz QOOVTNJDWGJRMA-INIZCTEOSA-N 2 2 340.418 2.147 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2cccc(F)c2)C1 ZINC001440235410 1093320829 /nfs/dbraw/zinc/32/08/29/1093320829.db2.gz AXSVKFDQMISICE-CRAIPNDOSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2cccc(F)c2)C1 ZINC001440235410 1093320832 /nfs/dbraw/zinc/32/08/32/1093320832.db2.gz AXSVKFDQMISICE-CRAIPNDOSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001440235410 1093320839 /nfs/dbraw/zinc/32/08/39/1093320839.db2.gz AXSVKFDQMISICE-CRAIPNDOSA-N 2 2 333.451 2.200 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001440235410 1093320846 /nfs/dbraw/zinc/32/08/46/1093320846.db2.gz AXSVKFDQMISICE-CRAIPNDOSA-N 2 2 333.451 2.200 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccc(CF)cc1 ZINC001440239375 1093325214 /nfs/dbraw/zinc/32/52/14/1093325214.db2.gz QXWGZFIBLIONFZ-GOSISDBHSA-N 2 2 344.434 2.394 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccc(CF)cc1 ZINC001440239375 1093325220 /nfs/dbraw/zinc/32/52/20/1093325220.db2.gz QXWGZFIBLIONFZ-GOSISDBHSA-N 2 2 344.434 2.394 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001448432008 1093444584 /nfs/dbraw/zinc/44/45/84/1093444584.db2.gz DNCXMBQZEKVFMU-NNZMDNLPSA-N 2 2 330.476 2.148 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001448432008 1093444587 /nfs/dbraw/zinc/44/45/87/1093444587.db2.gz DNCXMBQZEKVFMU-NNZMDNLPSA-N 2 2 330.476 2.148 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001448736306 1093807630 /nfs/dbraw/zinc/80/76/30/1093807630.db2.gz LUDPDYVISVNEHA-NEPJUHHUSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](C)[NH2+]CC1CC(F)(F)C1 ZINC001448736306 1093807635 /nfs/dbraw/zinc/80/76/35/1093807635.db2.gz LUDPDYVISVNEHA-NEPJUHHUSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001440815940 1094069120 /nfs/dbraw/zinc/06/91/20/1094069120.db2.gz WYTZGXDLVLEMMQ-CABCVRRESA-N 2 2 332.492 2.435 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCC(F)(F)F)C2 ZINC001440975108 1094234564 /nfs/dbraw/zinc/23/45/64/1094234564.db2.gz UGUWTPOJJLIHMB-YPMHNXCESA-N 2 2 346.397 2.143 10 0 EEAELP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CCC(F)(F)F)C2 ZINC001440975108 1094234571 /nfs/dbraw/zinc/23/45/71/1094234571.db2.gz UGUWTPOJJLIHMB-YPMHNXCESA-N 2 2 346.397 2.143 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001440981105 1094243708 /nfs/dbraw/zinc/24/37/08/1094243708.db2.gz RVQQWNOYOIMYPQ-VXGBXAGGSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001440981105 1094243714 /nfs/dbraw/zinc/24/37/14/1094243714.db2.gz RVQQWNOYOIMYPQ-VXGBXAGGSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@H+](C)CC1CC(F)(F)C1 ZINC001440981105 1094243720 /nfs/dbraw/zinc/24/37/20/1094243720.db2.gz RVQQWNOYOIMYPQ-VXGBXAGGSA-N 2 2 328.407 2.070 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(F)(F)C1 ZINC001440981105 1094243725 /nfs/dbraw/zinc/24/37/25/1094243725.db2.gz RVQQWNOYOIMYPQ-VXGBXAGGSA-N 2 2 328.407 2.070 10 0 EEAELP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001449387746 1094361893 /nfs/dbraw/zinc/36/18/93/1094361893.db2.gz PCIVJXPKRUMHOJ-BELGNNRLSA-N 2 2 341.459 2.071 10 0 EEAELP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001449387746 1094361904 /nfs/dbraw/zinc/36/19/04/1094361904.db2.gz PCIVJXPKRUMHOJ-BELGNNRLSA-N 2 2 341.459 2.071 10 0 EEAELP CC[C@H](C[NH+]1CCC(C2(NC(=O)CCc3c[nH]c[nH+]3)CC2)CC1)OC ZINC001449405040 1094385863 /nfs/dbraw/zinc/38/58/63/1094385863.db2.gz VMQQPRJKAFBFHJ-QGZVFWFLSA-N 2 2 348.491 2.128 10 0 EEAELP CC[C@H](C[NH+]1CCC(C2(NC(=O)CCc3c[nH+]c[nH]3)CC2)CC1)OC ZINC001449405040 1094385871 /nfs/dbraw/zinc/38/58/71/1094385871.db2.gz VMQQPRJKAFBFHJ-QGZVFWFLSA-N 2 2 348.491 2.128 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001449410286 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WOAFVKJPHYPYDU-HNNXBMFYSA-N 2 2 327.428 2.236 10 0 EEAELP C[C@@H](CNC(=O)Cc1c[nH]c[nH+]1)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001441979921 1096184501 /nfs/dbraw/zinc/18/45/01/1096184501.db2.gz ZVBKSDLIXRYHTN-QFYYESIMSA-N 2 2 334.370 2.012 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001442205964 1096490418 /nfs/dbraw/zinc/49/04/18/1096490418.db2.gz WNDQRMNKTPGMLI-OAHLLOKOSA-N 2 2 326.444 2.369 10 0 EEAELP CC[C@@H](C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)OC ZINC001442208881 1096496549 /nfs/dbraw/zinc/49/65/49/1096496549.db2.gz ALLVUEZSTWCWFP-GJZGRUSLSA-N 2 2 336.480 2.035 10 0 EEAELP CC[C@@H](C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1)OC ZINC001442208881 1096496554 /nfs/dbraw/zinc/49/65/54/1096496554.db2.gz ALLVUEZSTWCWFP-GJZGRUSLSA-N 2 2 336.480 2.035 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccccc1F ZINC001442277668 1096586706 /nfs/dbraw/zinc/58/67/06/1096586706.db2.gz UHSRMXXGNOKWCK-GOEBONIOSA-N 2 2 344.434 2.269 10 0 EEAELP 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CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC001493968325 1103220257 /nfs/dbraw/zinc/22/02/57/1103220257.db2.gz PLTZCJWRNJVAFH-ROUUACIJSA-N 2 2 348.491 2.224 10 0 EEAELP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494273289 1103789178 /nfs/dbraw/zinc/78/91/78/1103789178.db2.gz IOCXHPMDASTTLP-OAZXXZECSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C/CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001494273289 1103789191 /nfs/dbraw/zinc/78/91/91/1103789191.db2.gz IOCXHPMDASTTLP-OAZXXZECSA-N 2 2 330.476 2.382 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@H+](C)CC1CCCCC1 ZINC001448046714 1103888890 /nfs/dbraw/zinc/88/88/90/1103888890.db2.gz NQZXRNKANNSXQZ-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[N@@H+](C)CC1CCCCC1 ZINC001448046714 1103888896 /nfs/dbraw/zinc/88/88/96/1103888896.db2.gz NQZXRNKANNSXQZ-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)[C@@H](CCN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1cncc(F)c1 ZINC001448220141 1104202087 /nfs/dbraw/zinc/20/20/87/1104202087.db2.gz KJMZIBUHEVXFQI-QGZVFWFLSA-N 2 2 347.438 2.080 10 0 EEAELP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(C)ccc1F ZINC001495039288 1104680100 /nfs/dbraw/zinc/68/01/00/1104680100.db2.gz WRFDFKYVUINDNR-INIZCTEOSA-N 2 2 332.423 2.405 10 0 EEAELP CC[C@@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001495078771 1104716166 /nfs/dbraw/zinc/71/61/66/1104716166.db2.gz COSIPQDPGWKOGA-OLZOCXBDSA-N 2 2 328.407 2.262 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCc1ccc(CC[NH2+]C/C=C/Cl)cc1 ZINC001480714759 1106943924 /nfs/dbraw/zinc/94/39/24/1106943924.db2.gz LIDGCILJNGZIDY-KRXBUXKQSA-N 2 2 346.862 2.462 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]Cc1cccc(C(C)C)n1 ZINC001498172147 1107021779 /nfs/dbraw/zinc/02/17/79/1107021779.db2.gz IPVBEKZCNGVMAZ-ZDUSSCGKSA-N 2 2 329.448 2.074 10 0 EEAELP C[C@H](CCNC(=O)c1cccc2[nH+]ccn21)[NH2+]CC[C@@H]1CCCCO1 ZINC001480778861 1107102867 /nfs/dbraw/zinc/10/28/67/1107102867.db2.gz LYWVINQNCKZIHG-CVEARBPZSA-N 2 2 344.459 2.392 10 0 EEAELP Cc1ncc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001480831386 1107223955 /nfs/dbraw/zinc/22/39/55/1107223955.db2.gz BTKAFBYDNTVYRJ-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1ncc(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cc2[nH]cc[nH+]2)s1 ZINC001480831386 1107223967 /nfs/dbraw/zinc/22/39/67/1107223967.db2.gz BTKAFBYDNTVYRJ-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1ncoc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001498397918 1107453156 /nfs/dbraw/zinc/45/31/56/1107453156.db2.gz JPHXVORZMCZCSV-GDBMZVCRSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001498397918 1107453158 /nfs/dbraw/zinc/45/31/58/1107453158.db2.gz JPHXVORZMCZCSV-GDBMZVCRSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001498397918 1107453160 /nfs/dbraw/zinc/45/31/60/1107453160.db2.gz JPHXVORZMCZCSV-GDBMZVCRSA-N 2 2 336.480 2.182 10 0 EEAELP Cc1ncoc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001498397918 1107453163 /nfs/dbraw/zinc/45/31/63/1107453163.db2.gz JPHXVORZMCZCSV-GDBMZVCRSA-N 2 2 336.480 2.182 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC001493223622 1107712345 /nfs/dbraw/zinc/71/23/45/1107712345.db2.gz QNVQOEBJSZIKAR-AWEZNQCLSA-N 2 2 348.397 2.190 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC001493223622 1107712355 /nfs/dbraw/zinc/71/23/55/1107712355.db2.gz QNVQOEBJSZIKAR-AWEZNQCLSA-N 2 2 348.397 2.190 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]CCCN(C)C(=O)C[C@H](C)n2cc[nH+]c2)o1 ZINC001498620164 1107824496 /nfs/dbraw/zinc/82/44/96/1107824496.db2.gz HUXXQRPNLDJXPQ-DZGCQCFKSA-N 2 2 333.436 2.330 10 0 EEAELP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001493600221 1108383216 /nfs/dbraw/zinc/38/32/16/1108383216.db2.gz DRUFLKQMOUOLGS-QGZVFWFLSA-N 2 2 344.503 2.464 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[N@@H+]1Cc1c(C)noc1C)[NH+](CC)CC ZINC001499059165 1108519368 /nfs/dbraw/zinc/51/93/68/1108519368.db2.gz XYCSRLSGGVVVMH-NVXWUHKLSA-N 2 2 336.480 2.102 10 0 EEAELP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1Cc1c(C)noc1C)[NH+](CC)CC ZINC001499059165 1108519378 /nfs/dbraw/zinc/51/93/78/1108519378.db2.gz XYCSRLSGGVVVMH-NVXWUHKLSA-N 2 2 336.480 2.102 10 0 EEAELP CN(CC[NH2+]Cc1ccc(F)c(F)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001493762442 1108638010 /nfs/dbraw/zinc/63/80/10/1108638010.db2.gz CKPYYZPKCCVOTL-UHFFFAOYSA-N 2 2 336.386 2.214 10 0 EEAELP CC[N@@H+]1CC[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001463660323 1110378445 /nfs/dbraw/zinc/37/84/45/1110378445.db2.gz OLZVGBMOIQKERQ-OALUTQOASA-N 2 2 345.487 2.433 10 0 EEAELP CC[N@H+]1CC[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC001463660323 1110378446 /nfs/dbraw/zinc/37/84/46/1110378446.db2.gz OLZVGBMOIQKERQ-OALUTQOASA-N 2 2 345.487 2.433 10 0 EEAELP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001472957603 1110568520 /nfs/dbraw/zinc/56/85/20/1110568520.db2.gz AOCSFWJYZDKHAC-FDIFFNORSA-N 2 2 339.483 2.186 10 0 EEAELP C[C@H]1Cc2n[nH]cc2C[N@@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473796590 1110580803 /nfs/dbraw/zinc/58/08/03/1110580803.db2.gz KDXVALBPJPMDBM-JXFKEZNVSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@H]1Cc2n[nH]cc2C[N@H+](C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC001473796590 1110580805 /nfs/dbraw/zinc/58/08/05/1110580805.db2.gz KDXVALBPJPMDBM-JXFKEZNVSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@H]1Cc2n[nH]cc2C[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC001473796590 1110580807 /nfs/dbraw/zinc/58/08/07/1110580807.db2.gz KDXVALBPJPMDBM-JXFKEZNVSA-N 2 2 340.471 2.041 10 0 EEAELP C[C@H]1Cc2n[nH]cc2C[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001473796590 1110580809 /nfs/dbraw/zinc/58/08/09/1110580809.db2.gz KDXVALBPJPMDBM-JXFKEZNVSA-N 2 2 340.471 2.041 10 0 EEAELP CC(C)c1ocnc1C[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001499461725 1112297761 /nfs/dbraw/zinc/29/77/61/1112297761.db2.gz OAFIKKRAEIIOEK-GASCZTMLSA-N 2 2 348.491 2.409 10 0 EEAELP O=C(NCC1([NH2+]C/C=C\Cl)CCOCC1)c1cc2c[nH+]ccc2[nH]1 ZINC001500573767 1112950018 /nfs/dbraw/zinc/95/00/18/1112950018.db2.gz LFXLEWSKXDIJSX-KTAJNNJTSA-N 2 2 348.834 2.184 10 0 EEAELP CCCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001500617023 1112979683 /nfs/dbraw/zinc/97/96/83/1112979683.db2.gz ONDPMKNQGBTUQT-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CCCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001500617023 1112979687 /nfs/dbraw/zinc/97/96/87/1112979687.db2.gz ONDPMKNQGBTUQT-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1CC ZINC001501022322 1113171091 /nfs/dbraw/zinc/17/10/91/1113171091.db2.gz OESBNCGPFJGBOM-AEFFLSMTSA-N 2 2 340.471 2.475 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCC[C@@H]1C[NH2+]C/C=C\Cl ZINC001501879608 1113508197 /nfs/dbraw/zinc/50/81/97/1113508197.db2.gz YLZLXFCCBVODTL-XAHVKCOTSA-N 2 2 336.867 2.169 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)c2ncccn2)CC1(C)C ZINC001502838503 1113830372 /nfs/dbraw/zinc/83/03/72/1113830372.db2.gz HSYSBODTWVJYDD-CVEARBPZSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)c2ncccn2)CC1(C)C ZINC001502838503 1113830376 /nfs/dbraw/zinc/83/03/76/1113830376.db2.gz HSYSBODTWVJYDD-CVEARBPZSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ncccn2)CC1(C)C ZINC001502838503 1113830381 /nfs/dbraw/zinc/83/03/81/1113830381.db2.gz HSYSBODTWVJYDD-CVEARBPZSA-N 2 2 347.507 2.095 10 0 EEAELP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ncccn2)CC1(C)C ZINC001502838503 1113830387 /nfs/dbraw/zinc/83/03/87/1113830387.db2.gz HSYSBODTWVJYDD-CVEARBPZSA-N 2 2 347.507 2.095 10 0 EEAELP C[C@@H]([NH2+]CCc1ccccc1F)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001505664284 1114117219 /nfs/dbraw/zinc/11/72/19/1114117219.db2.gz PKYBWPYVQFHJPZ-CABCVRRESA-N 2 2 332.423 2.138 10 0 EEAELP C[C@@H]([NH2+]Cc1csc(C2CC2)n1)[C@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001505663613 1114117537 /nfs/dbraw/zinc/11/75/37/1114117537.db2.gz GYYXYAMSFLIFFT-OLZOCXBDSA-N 2 2 347.488 2.290 10 0 EEAELP Cc1csc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn2cc[nH+]c2C)n1 ZINC001505709817 1114144479 /nfs/dbraw/zinc/14/44/79/1114144479.db2.gz JPRJJLZZBUSSES-UONOGXRCSA-N 2 2 349.504 2.420 10 0 EEAELP C[C@@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001506924059 1114977052 /nfs/dbraw/zinc/97/70/52/1114977052.db2.gz SJQUIYFOTHHHPH-QJPTWQEYSA-N 2 2 341.393 2.102 10 0 EEAELP C[C@@H](CCC[NH2+]CC(F)(F)C(F)F)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506924059 1114977055 /nfs/dbraw/zinc/97/70/55/1114977055.db2.gz SJQUIYFOTHHHPH-QJPTWQEYSA-N 2 2 341.393 2.102 10 0 EEAELP Cc1ncc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCn3cc[nH+]c3C)C2)o1 ZINC001507326392 1115194077 /nfs/dbraw/zinc/19/40/77/1115194077.db2.gz UWWHLYWCIUEFAT-CJNGLKHVSA-N 2 2 345.447 2.047 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)o1 ZINC001508028460 1115392652 /nfs/dbraw/zinc/39/26/52/1115392652.db2.gz OYMXRVNIUHFTAG-CABCVRRESA-N 2 2 336.480 2.260 10 0 EEAELP CCC[NH+]1CCC([C@@H](C)NC(=O)Cc2cn3c([nH+]2)CCCC3)CC1 ZINC001508060040 1115407240 /nfs/dbraw/zinc/40/72/40/1115407240.db2.gz WERVWMLRXZQECR-OAHLLOKOSA-N 2 2 332.492 2.389 10 0 EEAELP CC[C@@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1nc2ccccc2o1 ZINC001567970050 1124211032 /nfs/dbraw/zinc/21/10/32/1124211032.db2.gz AOUYFRNRWFVCOM-AWEZNQCLSA-N 2 2 341.415 2.099 10 0 EEAELP CC(C)=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001568022650 1124234650 /nfs/dbraw/zinc/23/46/50/1124234650.db2.gz CCLZAUSKMOWTBD-KXBFYZLASA-N 2 2 330.476 2.286 10 0 EEAELP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001569057944 1125070298 /nfs/dbraw/zinc/07/02/98/1125070298.db2.gz LMUXQAUDQIYYSP-KSSFIOAISA-N 2 2 345.491 2.385 10 0 EEAELP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001569057944 1125070307 /nfs/dbraw/zinc/07/03/07/1125070307.db2.gz LMUXQAUDQIYYSP-KSSFIOAISA-N 2 2 345.491 2.385 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)N[C@@H](C)C[NH2+]CCC[C@@H]3CCOC3)ccn12 ZINC001569058896 1125071189 /nfs/dbraw/zinc/07/11/89/1125071189.db2.gz ZDGSIAQPVYVCQN-GOEBONIOSA-N 2 2 344.459 2.167 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cn21 ZINC000174822120 231318213 /nfs/dbraw/zinc/31/82/13/231318213.db2.gz LSVVHWCHYTZQJK-ZBFHGGJFSA-N 2 2 329.448 2.267 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)cn21 ZINC000174822120 231318216 /nfs/dbraw/zinc/31/82/16/231318216.db2.gz LSVVHWCHYTZQJK-ZBFHGGJFSA-N 2 2 329.448 2.267 10 0 EEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261953299 282248717 /nfs/dbraw/zinc/24/87/17/282248717.db2.gz OPEUKVQKIFLAMJ-AKHDSKFASA-N 2 2 335.467 2.175 10 0 EEAELP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000183573295 529799575 /nfs/dbraw/zinc/79/95/75/529799575.db2.gz XGOLAHADJFZUHL-INIZCTEOSA-N 2 2 348.397 2.459 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155447827 539489523 /nfs/dbraw/zinc/48/95/23/539489523.db2.gz OAMLSIAEJDYVSP-QGZVFWFLSA-N 2 2 349.519 2.010 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155447827 539489524 /nfs/dbraw/zinc/48/95/24/539489524.db2.gz OAMLSIAEJDYVSP-QGZVFWFLSA-N 2 2 349.519 2.010 10 0 EEAELP CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1N1CC[NH2+]CC1 ZINC000072237237 216076251 /nfs/dbraw/zinc/07/62/51/216076251.db2.gz CZVQCZNXKOMHLF-UHFFFAOYSA-N 2 2 329.400 2.220 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453266202 299317906 /nfs/dbraw/zinc/31/79/06/299317906.db2.gz OBCQKEFZWDBESS-PKOBYXMFSA-N 3 2 349.519 2.124 10 0 EEAELP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cccc(OCC[NH+](C)C)c1 ZINC000453266202 299317910 /nfs/dbraw/zinc/31/79/10/299317910.db2.gz OBCQKEFZWDBESS-PKOBYXMFSA-N 3 2 349.519 2.124 10 0 EEAELP CCCc1[nH]ccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000421793502 240024687 /nfs/dbraw/zinc/02/46/87/240024687.db2.gz WKQRXZCKFHKHIL-SJPCQFCGSA-N 2 2 344.503 2.350 10 0 EEAELP CCCc1[nH]ccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000421793502 240024692 /nfs/dbraw/zinc/02/46/92/240024692.db2.gz WKQRXZCKFHKHIL-SJPCQFCGSA-N 2 2 344.503 2.350 10 0 EEAELP O=C1[C@H]([NH+]2CCC3(CC[NH2+]3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000422625078 240161643 /nfs/dbraw/zinc/16/16/43/240161643.db2.gz APMDVEASOXMYCJ-QGZVFWFLSA-N 2 2 349.425 2.284 10 0 EEAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1nccn1CC(F)(F)F ZINC000422719580 240190583 /nfs/dbraw/zinc/19/05/83/240190583.db2.gz YWBGWSAOCJEECX-GXTWGEPZSA-N 2 2 326.366 2.494 10 0 EEAELP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1[nH+]ccn1CC(F)(F)F ZINC000422719580 240190588 /nfs/dbraw/zinc/19/05/88/240190588.db2.gz YWBGWSAOCJEECX-GXTWGEPZSA-N 2 2 326.366 2.494 10 0 EEAELP Fc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Br)c1 ZINC000422756008 240207954 /nfs/dbraw/zinc/20/79/54/240207954.db2.gz IOXIWPZBVAQDEP-CABCVRRESA-N 2 2 343.240 2.445 10 0 EEAELP Clc1cnc(NCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c(Cl)c1 ZINC000422776445 240221824 /nfs/dbraw/zinc/22/18/24/240221824.db2.gz DOCDURIISRFXIS-ZIAGYGMSSA-N 2 2 345.274 2.157 10 0 EEAELP COc1ccc([C@H]([NH2+]CCCc2cnn(C)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422912469 240286412 /nfs/dbraw/zinc/28/64/12/240286412.db2.gz WFUGJBKVEXKZFK-OALUTQOASA-N 2 2 328.460 2.444 10 0 EEAELP CSc1ccc([C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)N(C)C)cc1 ZINC000423144487 240382536 /nfs/dbraw/zinc/38/25/36/240382536.db2.gz HFJDTGAMFGSZBX-GBESFXJTSA-N 2 2 349.544 2.368 10 0 EEAELP C[NH+]1CCC(CNC(=O)N[C@H]2[C@@H]3CCC[C@@H]32)([NH+]2CCCCC2)CC1 ZINC000426054429 241209092 /nfs/dbraw/zinc/20/90/92/241209092.db2.gz IMMRTMDEAKDRIT-FVQHAEBGSA-N 2 2 334.508 2.034 10 0 EEAELP CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2ccc(C)[nH+]c2C)CC1 ZINC000447246521 242258141 /nfs/dbraw/zinc/25/81/41/242258141.db2.gz GTBCEEUXHLWUAZ-UHFFFAOYSA-N 2 2 346.475 2.217 10 0 EEAELP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1 ZINC000460366315 245330539 /nfs/dbraw/zinc/33/05/39/245330539.db2.gz YHNHAHZNVTYMED-SJORKVTESA-N 2 2 339.524 2.018 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC(C)(C)C)C1 ZINC000195264438 256008804 /nfs/dbraw/zinc/00/88/04/256008804.db2.gz GWAREIGEVGUSFV-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC(C)(C)C)C1 ZINC000195264438 256008805 /nfs/dbraw/zinc/00/88/05/256008805.db2.gz GWAREIGEVGUSFV-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000195264438 256008808 /nfs/dbraw/zinc/00/88/08/256008808.db2.gz GWAREIGEVGUSFV-CQSZACIVSA-N 2 2 338.521 2.120 10 0 EEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2c[nH]nc2C)[C@@H]1c1cnn(C)c1 ZINC000328649380 258020972 /nfs/dbraw/zinc/02/09/72/258020972.db2.gz VBUOTEHBRCYPHM-MAUKXSAKSA-N 2 2 330.480 2.357 10 0 EEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2c[nH]nc2C)[C@@H]1c1cnn(C)c1 ZINC000328649380 258020973 /nfs/dbraw/zinc/02/09/73/258020973.db2.gz VBUOTEHBRCYPHM-MAUKXSAKSA-N 2 2 330.480 2.357 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2c[nH]nc2C)[C@@H]1c1cnn(C)c1 ZINC000328649380 258020974 /nfs/dbraw/zinc/02/09/74/258020974.db2.gz VBUOTEHBRCYPHM-MAUKXSAKSA-N 2 2 330.480 2.357 10 0 EEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2c[nH]nc2C)[C@@H]1c1cnn(C)c1 ZINC000328649380 258020975 /nfs/dbraw/zinc/02/09/75/258020975.db2.gz VBUOTEHBRCYPHM-MAUKXSAKSA-N 2 2 330.480 2.357 10 0 EEAELP COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000130500158 533371832 /nfs/dbraw/zinc/37/18/32/533371832.db2.gz YFCVQBUGVXPRGA-YJBOKZPZSA-N 2 2 340.427 2.433 10 0 EEAELP COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000130500158 533371836 /nfs/dbraw/zinc/37/18/36/533371836.db2.gz YFCVQBUGVXPRGA-YJBOKZPZSA-N 2 2 340.427 2.433 10 0 EEAELP Cc1cc(N2CCC([N@H+](C)CCCO)CC2)nc(-c2ccncc2)[nH+]1 ZINC000115519775 152028376 /nfs/dbraw/zinc/02/83/76/152028376.db2.gz UFXLQCCQVUBLCW-UHFFFAOYSA-N 2 2 341.459 2.130 10 0 EEAELP Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)nc(-c2ccncc2)[nH+]1 ZINC000115519775 152028382 /nfs/dbraw/zinc/02/83/82/152028382.db2.gz UFXLQCCQVUBLCW-UHFFFAOYSA-N 2 2 341.459 2.130 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374206494 154003147 /nfs/dbraw/zinc/00/31/47/154003147.db2.gz FAUJRFMCMNPCOC-CQSZACIVSA-N 2 2 344.434 2.476 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374206494 154003153 /nfs/dbraw/zinc/00/31/53/154003153.db2.gz FAUJRFMCMNPCOC-CQSZACIVSA-N 2 2 344.434 2.476 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252696074 160393337 /nfs/dbraw/zinc/39/33/37/160393337.db2.gz LSXSCRSJGIDIFB-OALUTQOASA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000252696074 160393338 /nfs/dbraw/zinc/39/33/38/160393338.db2.gz LSXSCRSJGIDIFB-OALUTQOASA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000252696074 160393340 /nfs/dbraw/zinc/39/33/40/160393340.db2.gz LSXSCRSJGIDIFB-OALUTQOASA-N 2 2 329.488 2.370 10 0 EEAELP Cc1ccccc1CN(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252696074 160393342 /nfs/dbraw/zinc/39/33/42/160393342.db2.gz LSXSCRSJGIDIFB-OALUTQOASA-N 2 2 329.488 2.370 10 0 EEAELP CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1C ZINC000103482241 159277912 /nfs/dbraw/zinc/27/79/12/159277912.db2.gz HVVWRBUIKUZHGZ-UHFFFAOYSA-N 2 2 347.503 2.352 10 0 EEAELP COc1cc[nH+]c(N2CC[NH+](CCOc3ccc(F)cc3)CC2)c1 ZINC000104719409 159290237 /nfs/dbraw/zinc/29/02/37/159290237.db2.gz MJIVKRDAMVQVHO-UHFFFAOYSA-N 2 2 331.391 2.430 10 0 EEAELP CCO[C@H]1C[C@](O)(C[NH2+]C2CC[NH+](Cc3cccnc3)CC2)C1(C)C ZINC000189441923 160142105 /nfs/dbraw/zinc/14/21/05/160142105.db2.gz GWJDVIGSQSNMAG-ICSRJNTNSA-N 2 2 347.503 2.202 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610741 160184031 /nfs/dbraw/zinc/18/40/31/160184031.db2.gz NSGYNCLDTHLRJH-SRABZTEZSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610741 160184032 /nfs/dbraw/zinc/18/40/32/160184032.db2.gz NSGYNCLDTHLRJH-SRABZTEZSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610741 160184033 /nfs/dbraw/zinc/18/40/33/160184033.db2.gz NSGYNCLDTHLRJH-SRABZTEZSA-N 2 2 341.455 2.492 10 0 EEAELP C[C@@H](NC(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)c1cc2ccccc2o1 ZINC000193610741 160184034 /nfs/dbraw/zinc/18/40/34/160184034.db2.gz NSGYNCLDTHLRJH-SRABZTEZSA-N 2 2 341.455 2.492 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000194193043 160191231 /nfs/dbraw/zinc/19/12/31/160191231.db2.gz JZQVIGGVHSEMDV-KRWDZBQOSA-N 2 2 330.476 2.207 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C1 ZINC000194193043 160191232 /nfs/dbraw/zinc/19/12/32/160191232.db2.gz JZQVIGGVHSEMDV-KRWDZBQOSA-N 2 2 330.476 2.207 10 0 EEAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246703205 160290008 /nfs/dbraw/zinc/29/00/08/160290008.db2.gz SJFFMMIQUHQZOG-IRXDYDNUSA-N 2 2 333.480 2.322 10 0 EEAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000246703205 160290009 /nfs/dbraw/zinc/29/00/09/160290009.db2.gz SJFFMMIQUHQZOG-IRXDYDNUSA-N 2 2 333.480 2.322 10 0 EEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1CC ZINC000246987851 160304722 /nfs/dbraw/zinc/30/47/22/160304722.db2.gz LGFDZARTQWVXRV-OALUTQOASA-N 2 2 347.503 2.249 10 0 EEAELP CCOCC[N@H+]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1CC ZINC000246987851 160304723 /nfs/dbraw/zinc/30/47/23/160304723.db2.gz LGFDZARTQWVXRV-OALUTQOASA-N 2 2 347.503 2.249 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C(=O)NC[C@H]1CCCO1)c1cccc(-n2cc[nH+]c2)c1 ZINC000248407457 160345040 /nfs/dbraw/zinc/34/50/40/160345040.db2.gz BQKUMQNJQVMEGK-RVKKMQEKSA-N 2 2 342.443 2.207 10 0 EEAELP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000352113447 162071754 /nfs/dbraw/zinc/07/17/54/162071754.db2.gz IYPDBQHXCGQKOR-QZTJIDSGSA-N 2 2 347.484 2.377 10 0 EEAELP CC(C)(C)C1=CC[N@H+](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000354881559 163001484 /nfs/dbraw/zinc/00/14/84/163001484.db2.gz KAPTWUPPXKIPHK-OAHLLOKOSA-N 2 2 330.476 2.240 10 0 EEAELP CC(C)(C)C1=CC[N@@H+](CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000354881559 163001486 /nfs/dbraw/zinc/00/14/86/163001486.db2.gz KAPTWUPPXKIPHK-OAHLLOKOSA-N 2 2 330.476 2.240 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354947875 163027878 /nfs/dbraw/zinc/02/78/78/163027878.db2.gz HIXSLGNQPGCXAZ-INIZCTEOSA-N 2 2 326.444 2.430 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000354947875 163027880 /nfs/dbraw/zinc/02/78/80/163027880.db2.gz HIXSLGNQPGCXAZ-INIZCTEOSA-N 2 2 326.444 2.430 10 0 EEAELP O=S1(=O)CC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000364822852 165284594 /nfs/dbraw/zinc/28/45/94/165284594.db2.gz TYBAGWOZYHYGIE-IAGOWNOFSA-N 2 2 328.522 2.009 10 0 EEAELP O=S1(=O)CC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000364822852 165284597 /nfs/dbraw/zinc/28/45/97/165284597.db2.gz TYBAGWOZYHYGIE-IAGOWNOFSA-N 2 2 328.522 2.009 10 0 EEAELP Cc1ccncc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000280826555 269392869 /nfs/dbraw/zinc/39/28/69/269392869.db2.gz JGMWNEYBMBOFLG-PMACEKPBSA-N 2 2 325.456 2.363 10 0 EEAELP Cc1ccncc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000280826555 269392870 /nfs/dbraw/zinc/39/28/70/269392870.db2.gz JGMWNEYBMBOFLG-PMACEKPBSA-N 2 2 325.456 2.363 10 0 EEAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2[nH+]ccn2C)CC1 ZINC000190350472 274041971 /nfs/dbraw/zinc/04/19/71/274041971.db2.gz IKUIDUUNOLDMTN-UHFFFAOYSA-N 2 2 336.480 2.048 10 0 EEAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(Cc2[nH+]ccn2C)CC1 ZINC000190350472 274041972 /nfs/dbraw/zinc/04/19/72/274041972.db2.gz IKUIDUUNOLDMTN-UHFFFAOYSA-N 2 2 336.480 2.048 10 0 EEAELP C[N@@H+]1CCc2nc(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)sc2C1 ZINC000289302438 275108407 /nfs/dbraw/zinc/10/84/07/275108407.db2.gz CVQASKZJKYUYRG-INIZCTEOSA-N 2 2 340.468 2.282 10 0 EEAELP C[N@H+]1CCc2nc(NC(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)sc2C1 ZINC000289302438 275108408 /nfs/dbraw/zinc/10/84/08/275108408.db2.gz CVQASKZJKYUYRG-INIZCTEOSA-N 2 2 340.468 2.282 10 0 EEAELP C[NH+]1CCc2nc(NC(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)sc2C1 ZINC000289302438 275108409 /nfs/dbraw/zinc/10/84/09/275108409.db2.gz CVQASKZJKYUYRG-INIZCTEOSA-N 2 2 340.468 2.282 10 0 EEAELP C[NH+]1CCc2nc(NC(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)sc2C1 ZINC000289302438 275108410 /nfs/dbraw/zinc/10/84/10/275108410.db2.gz CVQASKZJKYUYRG-INIZCTEOSA-N 2 2 340.468 2.282 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)c2cc1C ZINC000292063886 275370341 /nfs/dbraw/zinc/37/03/41/275370341.db2.gz CSZFVHONUBNSIT-XLIONFOSSA-N 3 2 342.487 2.042 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)c2cc1C ZINC000292063886 275370344 /nfs/dbraw/zinc/37/03/44/275370344.db2.gz CSZFVHONUBNSIT-XLIONFOSSA-N 3 2 342.487 2.042 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000292063886 275370345 /nfs/dbraw/zinc/37/03/45/275370345.db2.gz CSZFVHONUBNSIT-XLIONFOSSA-N 3 2 342.487 2.042 10 0 EEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)c2cc1C ZINC000292063886 275370347 /nfs/dbraw/zinc/37/03/47/275370347.db2.gz CSZFVHONUBNSIT-XLIONFOSSA-N 3 2 342.487 2.042 10 0 EEAELP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000297885479 294365238 /nfs/dbraw/zinc/36/52/38/294365238.db2.gz QRIDNCKHOWHDEJ-GOSISDBHSA-N 2 2 326.444 2.247 10 0 EEAELP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000297885479 294365242 /nfs/dbraw/zinc/36/52/42/294365242.db2.gz QRIDNCKHOWHDEJ-GOSISDBHSA-N 2 2 326.444 2.247 10 0 EEAELP Clc1ccc(OCC[NH+]2CCN(CCn3cc[nH+]c3)CC2)cc1 ZINC000163349741 311383221 /nfs/dbraw/zinc/38/32/21/311383221.db2.gz UAFDAWCORCFIBK-UHFFFAOYSA-N 2 2 334.851 2.233 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000168346192 311392357 /nfs/dbraw/zinc/39/23/57/311392357.db2.gz RLNJPBNIVYKPND-LPHOPBHVSA-N 2 2 338.455 2.496 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000333115081 312094963 /nfs/dbraw/zinc/09/49/63/312094963.db2.gz HEZFWPMZXUGFFW-OCCSQVGLSA-N 2 2 337.493 2.249 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)nc[nH+]1 ZINC000333925010 312214781 /nfs/dbraw/zinc/21/47/81/312214781.db2.gz UDWZBEGNOZKFPB-SPCJURDBSA-N 2 2 345.491 2.266 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)[nH+]cn1 ZINC000333925010 312214784 /nfs/dbraw/zinc/21/47/84/312214784.db2.gz UDWZBEGNOZKFPB-SPCJURDBSA-N 2 2 345.491 2.266 10 0 EEAELP COC(=O)C[N@@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414736965 313072292 /nfs/dbraw/zinc/07/22/92/313072292.db2.gz IARAOHJNUPCCMW-GXTWGEPZSA-N 2 2 326.387 2.328 10 0 EEAELP COC(=O)C[N@H+](Cc1ccc(F)c(F)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414736965 313072296 /nfs/dbraw/zinc/07/22/96/313072296.db2.gz IARAOHJNUPCCMW-GXTWGEPZSA-N 2 2 326.387 2.328 10 0 EEAELP 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10 0 EEAELP CN(c1ccccc1C[NH2+]C1CC([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000565215439 319163393 /nfs/dbraw/zinc/16/33/93/319163393.db2.gz ASZJMYFFPBFKPM-UHFFFAOYSA-N 3 2 330.520 2.399 10 0 EEAELP CN1CC[N@H+](C)C[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000566215843 319260792 /nfs/dbraw/zinc/26/07/92/319260792.db2.gz XSWPXJGPLUADHR-UXHICEINSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CC[N@@H+](C)C[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000566215843 319260793 /nfs/dbraw/zinc/26/07/93/319260793.db2.gz XSWPXJGPLUADHR-UXHICEINSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CC[NH+](C)C[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566215843 319260795 /nfs/dbraw/zinc/26/07/95/319260795.db2.gz XSWPXJGPLUADHR-UXHICEINSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CC[NH+](C)C[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000566215843 319260798 /nfs/dbraw/zinc/26/07/98/319260798.db2.gz XSWPXJGPLUADHR-UXHICEINSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CCN(C)[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215843 319260800 /nfs/dbraw/zinc/26/08/00/319260800.db2.gz XSWPXJGPLUADHR-UXHICEINSA-N 2 2 342.531 2.019 10 0 EEAELP CN1CCN(C)[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000566215843 319260803 /nfs/dbraw/zinc/26/08/03/319260803.db2.gz XSWPXJGPLUADHR-UXHICEINSA-N 2 2 342.531 2.019 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000580323974 324040312 /nfs/dbraw/zinc/04/03/12/324040312.db2.gz RUMDJWNHCGJRSA-GDBMZVCRSA-N 2 2 327.831 2.470 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000580323974 324040314 /nfs/dbraw/zinc/04/03/14/324040314.db2.gz RUMDJWNHCGJRSA-GDBMZVCRSA-N 2 2 327.831 2.470 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@H]2CCC[N@H+](CC)C2)nc(C)[nH+]1 ZINC000601108319 449693733 /nfs/dbraw/zinc/69/37/33/449693733.db2.gz ICRYLIWGGWDRCR-OAHLLOKOSA-N 2 2 334.464 2.425 10 0 EEAELP CCOC(=O)CCc1cc(NC[C@H]2CCC[N@@H+](CC)C2)nc(C)[nH+]1 ZINC000601108319 449693740 /nfs/dbraw/zinc/69/37/40/449693740.db2.gz ICRYLIWGGWDRCR-OAHLLOKOSA-N 2 2 334.464 2.425 10 0 EEAELP COCC[NH+]1CCC(Nc2nc3ccccc3n3c[nH+]cc23)CC1 ZINC000623893114 450627804 /nfs/dbraw/zinc/62/78/04/450627804.db2.gz FQVUZLRAPCBZRD-UHFFFAOYSA-N 2 2 325.416 2.405 10 0 EEAELP C[C@H]1C[N@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@@H](C)CO1 ZINC000624392680 450829133 /nfs/dbraw/zinc/82/91/33/450829133.db2.gz XCUHYDHBFQIBHQ-KBPBESRZSA-N 2 2 325.416 2.404 10 0 EEAELP C[C@H]1C[N@@H+](CCNc2nc3ccccc3n3c[nH+]cc23)[C@@H](C)CO1 ZINC000624392680 450829138 /nfs/dbraw/zinc/82/91/38/450829138.db2.gz XCUHYDHBFQIBHQ-KBPBESRZSA-N 2 2 325.416 2.404 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288086 465093818 /nfs/dbraw/zinc/09/38/18/465093818.db2.gz MBVVWIMKUPGFQX-PXNSSMCTSA-N 3 2 331.504 2.243 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000341288086 465093822 /nfs/dbraw/zinc/09/38/22/465093822.db2.gz MBVVWIMKUPGFQX-PXNSSMCTSA-N 3 2 331.504 2.243 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000358407515 465104475 /nfs/dbraw/zinc/10/44/75/465104475.db2.gz IKXCAXKXZDWAIY-QGZVFWFLSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H](Cc1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000358407515 465104479 /nfs/dbraw/zinc/10/44/79/465104479.db2.gz IKXCAXKXZDWAIY-QGZVFWFLSA-N 2 2 331.504 2.350 10 0 EEAELP CCN(CCOC)c1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000351630774 465261600 /nfs/dbraw/zinc/26/16/00/465261600.db2.gz SGHCWODZAXLUJD-SFHVURJKSA-N 2 2 334.508 2.470 10 0 EEAELP CCN(CCOC)c1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000351630774 465261604 /nfs/dbraw/zinc/26/16/04/465261604.db2.gz SGHCWODZAXLUJD-SFHVURJKSA-N 2 2 334.508 2.470 10 0 EEAELP Cc1cc[nH+]cc1N1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000337275833 465280168 /nfs/dbraw/zinc/28/01/68/465280168.db2.gz GDQRBYBBCYSWBD-ULQDDVLXSA-N 2 2 330.476 2.300 10 0 EEAELP CCOC(=O)c1c(C)onc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000351712032 465310899 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EEAELP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ccn1 ZINC000119361416 462892718 /nfs/dbraw/zinc/89/27/18/462892718.db2.gz BFESQOPMNXAENJ-UHFFFAOYSA-N 2 2 345.491 2.462 10 0 EEAELP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCn2cc[nH+]c2)c1 ZINC000095395223 463074773 /nfs/dbraw/zinc/07/47/73/463074773.db2.gz UDLKGVVZOYJNCD-GOSISDBHSA-N 2 2 326.444 2.362 10 0 EEAELP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCCn2cc[nH+]c2)c1 ZINC000095395223 463074775 /nfs/dbraw/zinc/07/47/75/463074775.db2.gz UDLKGVVZOYJNCD-GOSISDBHSA-N 2 2 326.444 2.362 10 0 EEAELP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000069528813 463268189 /nfs/dbraw/zinc/26/81/89/463268189.db2.gz YCSDEICKZUWVOV-IRXDYDNUSA-N 2 2 339.443 2.356 10 0 EEAELP CC[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000069528813 463268194 /nfs/dbraw/zinc/26/81/94/463268194.db2.gz YCSDEICKZUWVOV-IRXDYDNUSA-N 2 2 339.443 2.356 10 0 EEAELP COC(=O)C1CC[NH+](CCC[N@@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000097048477 463311399 /nfs/dbraw/zinc/31/13/99/463311399.db2.gz UKBFQNRAKGHNOV-UHFFFAOYSA-N 2 2 334.435 2.459 10 0 EEAELP COC(=O)C1CC[NH+](CCC[N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000097048477 463311404 /nfs/dbraw/zinc/31/14/04/463311404.db2.gz UKBFQNRAKGHNOV-UHFFFAOYSA-N 2 2 334.435 2.459 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000056864151 463428980 /nfs/dbraw/zinc/42/89/80/463428980.db2.gz XMWSOZIAGSIWIJ-UHFFFAOYSA-N 2 2 347.507 2.411 10 0 EEAELP C[N@H+](C[C@@H](O)c1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863450 463479980 /nfs/dbraw/zinc/47/99/80/463479980.db2.gz ARMQXPNFQNNVGD-LJQANCHMSA-N 2 2 346.450 2.152 10 0 EEAELP C[N@@H+](C[C@@H](O)c1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863450 463479985 /nfs/dbraw/zinc/47/99/85/463479985.db2.gz ARMQXPNFQNNVGD-LJQANCHMSA-N 2 2 346.450 2.152 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000073606158 463632121 /nfs/dbraw/zinc/63/21/21/463632121.db2.gz PPJVDFKLEBSVEI-MRXNPFEDSA-N 2 2 342.443 2.152 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000073606158 463632128 /nfs/dbraw/zinc/63/21/28/463632128.db2.gz PPJVDFKLEBSVEI-MRXNPFEDSA-N 2 2 342.443 2.152 10 0 EEAELP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171423370 463860473 /nfs/dbraw/zinc/86/04/73/463860473.db2.gz NIOQPNLIKGPJSH-SFHVURJKSA-N 2 2 326.444 2.422 10 0 EEAELP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000171423370 463860474 /nfs/dbraw/zinc/86/04/74/463860474.db2.gz NIOQPNLIKGPJSH-SFHVURJKSA-N 2 2 326.444 2.422 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F ZINC000568763557 468385094 /nfs/dbraw/zinc/38/50/94/468385094.db2.gz PTMZJYDQMCAKQY-VXGBXAGGSA-N 2 2 334.386 2.303 10 0 EEAELP CCCC[NH+]1CCC(NC(=O)NCc2ccc[nH+]c2N(C)C)CC1 ZINC000194956424 463967075 /nfs/dbraw/zinc/96/70/75/463967075.db2.gz KPUACURTDVXORQ-UHFFFAOYSA-N 2 2 333.480 2.211 10 0 EEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000195296026 464034023 /nfs/dbraw/zinc/03/40/23/464034023.db2.gz JMCACZMGIAWJGM-SFHVURJKSA-N 2 2 346.519 2.388 10 0 EEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCCC(C)(C)C)C1 ZINC000195296026 464034027 /nfs/dbraw/zinc/03/40/27/464034027.db2.gz JMCACZMGIAWJGM-SFHVURJKSA-N 2 2 346.519 2.388 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000195296026 464034034 /nfs/dbraw/zinc/03/40/34/464034034.db2.gz JMCACZMGIAWJGM-SFHVURJKSA-N 2 2 346.519 2.388 10 0 EEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCCC(C)(C)C)C1 ZINC000195296026 464034038 /nfs/dbraw/zinc/03/40/38/464034038.db2.gz JMCACZMGIAWJGM-SFHVURJKSA-N 2 2 346.519 2.388 10 0 EEAELP COc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515702 464063502 /nfs/dbraw/zinc/06/35/02/464063502.db2.gz XZJQTENYFCJDLN-HNNXBMFYSA-N 2 2 340.427 2.463 10 0 EEAELP COc1ccccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000195515702 464063506 /nfs/dbraw/zinc/06/35/06/464063506.db2.gz XZJQTENYFCJDLN-HNNXBMFYSA-N 2 2 340.427 2.463 10 0 EEAELP Cc1ccc(O)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000172754250 464139275 /nfs/dbraw/zinc/13/92/75/464139275.db2.gz HHIPXQQQRPOWSJ-UHFFFAOYSA-N 2 2 345.487 2.381 10 0 EEAELP C[C@@H]1c2c(F)cccc2CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000523451040 468395110 /nfs/dbraw/zinc/39/51/10/468395110.db2.gz ORBYCDLQQRBTTH-CQSZACIVSA-N 2 2 345.462 2.488 10 0 EEAELP C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000523451040 468395114 /nfs/dbraw/zinc/39/51/14/468395114.db2.gz ORBYCDLQQRBTTH-CQSZACIVSA-N 2 2 345.462 2.488 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ccc1O ZINC000180169141 464257018 /nfs/dbraw/zinc/25/70/18/464257018.db2.gz DCTDYTLBSSSDLX-ZWKOTPCHSA-N 2 2 342.439 2.126 10 0 EEAELP COc1cc(C[NH2+]C[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)ccc1O ZINC000180169141 464257023 /nfs/dbraw/zinc/25/70/23/464257023.db2.gz DCTDYTLBSSSDLX-ZWKOTPCHSA-N 2 2 342.439 2.126 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271458797 464317104 /nfs/dbraw/zinc/31/71/04/464317104.db2.gz JUYZFSDHPXSOJT-RYRKJORJSA-N 2 2 338.517 2.310 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271458797 464317109 /nfs/dbraw/zinc/31/71/09/464317109.db2.gz JUYZFSDHPXSOJT-RYRKJORJSA-N 2 2 338.517 2.310 10 0 EEAELP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768508 464335848 /nfs/dbraw/zinc/33/58/48/464335848.db2.gz KDNIRNQHHNINGO-MJGOQNOKSA-N 2 2 325.460 2.243 10 0 EEAELP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768508 464335853 /nfs/dbraw/zinc/33/58/53/464335853.db2.gz KDNIRNQHHNINGO-MJGOQNOKSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768508 464335862 /nfs/dbraw/zinc/33/58/62/464335862.db2.gz KDNIRNQHHNINGO-MJGOQNOKSA-N 2 2 325.460 2.243 10 0 EEAELP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cnnn2Cc2ccccc2)C1 ZINC000292768508 464335870 /nfs/dbraw/zinc/33/58/70/464335870.db2.gz KDNIRNQHHNINGO-MJGOQNOKSA-N 2 2 325.460 2.243 10 0 EEAELP O=C(c1cc(-n2cc[nH+]c2)ccn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000272445449 464612986 /nfs/dbraw/zinc/61/29/86/464612986.db2.gz PXDILYYDJVHJMZ-KRWDZBQOSA-N 2 2 339.443 2.358 10 0 EEAELP C[NH+]1CCC(CNC(=O)c2cccc(O)c2)([NH+]2CCCCC2)CC1 ZINC000182516573 464674043 /nfs/dbraw/zinc/67/40/43/464674043.db2.gz HJTXNDKSOKYYDI-UHFFFAOYSA-N 2 2 331.460 2.072 10 0 EEAELP CC[C@H]([NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1)C(=O)OC(C)(C)C ZINC000190605516 464685725 /nfs/dbraw/zinc/68/57/25/464685725.db2.gz MTPOURUYLMMNMK-KBPBESRZSA-N 2 2 349.479 2.197 10 0 EEAELP C[C@H](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000182668588 464705778 /nfs/dbraw/zinc/70/57/78/464705778.db2.gz OMTBBIWQKNWPGM-IAGOWNOFSA-N 2 2 333.480 2.322 10 0 EEAELP c1c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc2ncccn12 ZINC000298223310 465336131 /nfs/dbraw/zinc/33/61/31/465336131.db2.gz AONDAWWNPVENRU-SFHVURJKSA-N 2 2 335.455 2.384 10 0 EEAELP c1c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc2ncccn12 ZINC000298223310 465336136 /nfs/dbraw/zinc/33/61/36/465336136.db2.gz AONDAWWNPVENRU-SFHVURJKSA-N 2 2 335.455 2.384 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000348634921 465721099 /nfs/dbraw/zinc/72/10/99/465721099.db2.gz QNJAQHWTNCWPPU-JQHSSLGASA-N 2 2 345.487 2.289 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000348634921 465721105 /nfs/dbraw/zinc/72/11/05/465721105.db2.gz QNJAQHWTNCWPPU-JQHSSLGASA-N 2 2 345.487 2.289 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000348634921 465721112 /nfs/dbraw/zinc/72/11/12/465721112.db2.gz QNJAQHWTNCWPPU-JQHSSLGASA-N 2 2 345.487 2.289 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)[C@@H](C)C1 ZINC000348634921 465721116 /nfs/dbraw/zinc/72/11/16/465721116.db2.gz QNJAQHWTNCWPPU-JQHSSLGASA-N 2 2 345.487 2.289 10 0 EEAELP CCOC(=O)C[C@H]1C[C@H](OC)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361142196 465795649 /nfs/dbraw/zinc/79/56/49/465795649.db2.gz QONILSSCRGPTDS-HIFRSBDPSA-N 2 2 349.456 2.476 10 0 EEAELP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361142196 465795659 /nfs/dbraw/zinc/79/56/59/465795659.db2.gz QONILSSCRGPTDS-HIFRSBDPSA-N 2 2 349.456 2.476 10 0 EEAELP C[C@H]1CC[N@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000580074982 468462433 /nfs/dbraw/zinc/46/24/33/468462433.db2.gz PWLAWXJSWHYWRR-ZFWWWQNUSA-N 2 2 336.480 2.286 10 0 EEAELP C[C@H]1CC[N@@H+](Cc2c[nH+]c(N(C)C)n2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000580074982 468462438 /nfs/dbraw/zinc/46/24/38/468462438.db2.gz PWLAWXJSWHYWRR-ZFWWWQNUSA-N 2 2 336.480 2.286 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301788304 466032858 /nfs/dbraw/zinc/03/28/58/466032858.db2.gz XPMMMHIZVDQIPY-IAGOWNOFSA-N 2 2 347.507 2.218 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000301788304 466032864 /nfs/dbraw/zinc/03/28/64/466032864.db2.gz XPMMMHIZVDQIPY-IAGOWNOFSA-N 2 2 347.507 2.218 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000361588310 466120602 /nfs/dbraw/zinc/12/06/02/466120602.db2.gz MEEJRAHJXVEUCN-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@H]1CCOC1 ZINC000361588310 466120610 /nfs/dbraw/zinc/12/06/10/466120610.db2.gz MEEJRAHJXVEUCN-MJGOQNOKSA-N 2 2 345.487 2.003 10 0 EEAELP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000361674545 466193983 /nfs/dbraw/zinc/19/39/83/466193983.db2.gz GAKDHARDKRJBIC-ZVZYQTTQSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(F)cc1 ZINC000361674545 466193990 /nfs/dbraw/zinc/19/39/90/466193990.db2.gz GAKDHARDKRJBIC-ZVZYQTTQSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(F)cc1 ZINC000361674545 466193998 /nfs/dbraw/zinc/19/39/98/466193998.db2.gz GAKDHARDKRJBIC-ZVZYQTTQSA-N 2 2 333.451 2.419 10 0 EEAELP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000361674545 466194006 /nfs/dbraw/zinc/19/40/06/466194006.db2.gz GAKDHARDKRJBIC-ZVZYQTTQSA-N 2 2 333.451 2.419 10 0 EEAELP Cn1ncc2c1nc(NCc1cccc(C[NH+]3CCCC3)c1)[nH+]c2N ZINC000302844479 466196799 /nfs/dbraw/zinc/19/67/99/466196799.db2.gz NJHNBFITIFUSHL-UHFFFAOYSA-N 2 2 337.431 2.153 10 0 EEAELP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000358067234 466427494 /nfs/dbraw/zinc/42/74/94/466427494.db2.gz XAKDEHLVIMBVLN-HNAYVOBHSA-N 2 2 327.472 2.364 10 0 EEAELP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000358067234 466427497 /nfs/dbraw/zinc/42/74/97/466427497.db2.gz XAKDEHLVIMBVLN-HNAYVOBHSA-N 2 2 327.472 2.364 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000358205825 466540341 /nfs/dbraw/zinc/54/03/41/466540341.db2.gz XNWRBZZSVBRPAV-UHFFFAOYSA-N 2 2 339.443 2.324 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000358205825 466540349 /nfs/dbraw/zinc/54/03/49/466540349.db2.gz XNWRBZZSVBRPAV-UHFFFAOYSA-N 2 2 339.443 2.324 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000341095288 466580573 /nfs/dbraw/zinc/58/05/73/466580573.db2.gz HZKFGLNZRMZBGM-IYBDPMFKSA-N 2 2 347.507 2.324 10 0 EEAELP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000341095288 466580577 /nfs/dbraw/zinc/58/05/77/466580577.db2.gz HZKFGLNZRMZBGM-IYBDPMFKSA-N 2 2 347.507 2.324 10 0 EEAELP Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000368457961 466642491 /nfs/dbraw/zinc/64/24/91/466642491.db2.gz LTKJNBNYWYPVRT-MRXNPFEDSA-N 2 2 334.427 2.624 10 0 EEAELP Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)C2)n1 ZINC000368457961 466642494 /nfs/dbraw/zinc/64/24/94/466642494.db2.gz LTKJNBNYWYPVRT-MRXNPFEDSA-N 2 2 334.427 2.624 10 0 EEAELP CCOC(=O)C1([C@H](C)[NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000422885250 466687010 /nfs/dbraw/zinc/68/70/10/466687010.db2.gz GPBSRRLWHCKJKT-ULQDDVLXSA-N 3 2 339.524 2.160 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)CC2 ZINC000374695887 466716687 /nfs/dbraw/zinc/71/66/87/466716687.db2.gz VMYIPLUDLCMNEO-MRXNPFEDSA-N 2 2 345.422 2.159 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H](C)CC[NH3+])c(C)c1 ZINC000417907583 466981099 /nfs/dbraw/zinc/98/10/99/466981099.db2.gz ABBGNIZJNIWYNI-DOTOQJQBSA-N 2 2 329.448 2.278 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420388383 467390877 /nfs/dbraw/zinc/39/08/77/467390877.db2.gz WYEZAVHBZYJSTB-DOXZYTNZSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000420388383 467390879 /nfs/dbraw/zinc/39/08/79/467390879.db2.gz WYEZAVHBZYJSTB-DOXZYTNZSA-N 2 2 333.451 2.467 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)c1cnn(Cc2ccccc2)c1 ZINC000453266847 467474367 /nfs/dbraw/zinc/47/43/67/467474367.db2.gz OPQOHYSEGVMHCQ-YLJYHZDGSA-N 2 2 342.487 2.429 10 0 EEAELP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)c1cnn(Cc2ccccc2)c1 ZINC000453266847 467474371 /nfs/dbraw/zinc/47/43/71/467474371.db2.gz OPQOHYSEGVMHCQ-YLJYHZDGSA-N 2 2 342.487 2.429 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000449398326 467638691 /nfs/dbraw/zinc/63/86/91/467638691.db2.gz XUHOWYNACURCPI-LJQANCHMSA-N 2 2 346.450 2.007 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000449398326 467638697 /nfs/dbraw/zinc/63/86/97/467638697.db2.gz XUHOWYNACURCPI-LJQANCHMSA-N 2 2 346.450 2.007 10 0 EEAELP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCc2cn(C)c[nH+]2)C1 ZINC000457733858 467691558 /nfs/dbraw/zinc/69/15/58/467691558.db2.gz KOHBPSOKFADGKC-HOTGVXAUSA-N 2 2 335.496 2.020 10 0 EEAELP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000458759320 467893052 /nfs/dbraw/zinc/89/30/52/467893052.db2.gz GAHMLJLZOMZXHP-CRAIPNDOSA-N 2 2 343.475 2.262 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515649520 467999874 /nfs/dbraw/zinc/99/98/74/467999874.db2.gz CBCACLZGNGBVHG-JXFKEZNVSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@@H](C(=O)N1CCCc2ccccc21)[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000515649520 467999877 /nfs/dbraw/zinc/99/98/77/467999877.db2.gz CBCACLZGNGBVHG-JXFKEZNVSA-N 2 2 327.472 2.430 10 0 EEAELP Cc1ccc(O)c(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)n1 ZINC000518747697 468124724 /nfs/dbraw/zinc/12/47/24/468124724.db2.gz UFVDNQNYHLYDRU-MRXNPFEDSA-N 2 2 346.500 2.235 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)o1 ZINC000532747412 468136390 /nfs/dbraw/zinc/13/63/90/468136390.db2.gz SWBZMXLYSBUSLH-OWCLPIDISA-N 2 2 336.432 2.058 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)o1 ZINC000532747412 468136393 /nfs/dbraw/zinc/13/63/93/468136393.db2.gz SWBZMXLYSBUSLH-OWCLPIDISA-N 2 2 336.432 2.058 10 0 EEAELP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000591869485 468537970 /nfs/dbraw/zinc/53/79/70/468537970.db2.gz ZUAPCPPLPKCCHC-KGLIPLIRSA-N 2 2 344.381 2.321 10 0 EEAELP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000591869485 468537973 /nfs/dbraw/zinc/53/79/73/468537973.db2.gz ZUAPCPPLPKCCHC-KGLIPLIRSA-N 2 2 344.381 2.321 10 0 EEAELP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000569794734 468543307 /nfs/dbraw/zinc/54/33/07/468543307.db2.gz DBDUXVGIDXGYMC-HLLBOEOZSA-N 2 2 345.491 2.106 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCCO)CCC2 ZINC000594505872 468611370 /nfs/dbraw/zinc/61/13/70/468611370.db2.gz DEUHAVWQBNRDGU-PKOBYXMFSA-N 2 2 346.471 2.287 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCCO)CCC2 ZINC000594505872 468611372 /nfs/dbraw/zinc/61/13/72/468611372.db2.gz DEUHAVWQBNRDGU-PKOBYXMFSA-N 2 2 346.471 2.287 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000594506714 468611837 /nfs/dbraw/zinc/61/18/37/468611837.db2.gz XADXULGSIZGFCD-PKOBYXMFSA-N 2 2 346.471 2.287 10 0 EEAELP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000594506714 468611843 /nfs/dbraw/zinc/61/18/43/468611843.db2.gz XADXULGSIZGFCD-PKOBYXMFSA-N 2 2 346.471 2.287 10 0 EEAELP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)CC2 ZINC000570637177 468668987 /nfs/dbraw/zinc/66/89/87/468668987.db2.gz HYAKQNKZWPUCRZ-OAHLLOKOSA-N 2 2 344.434 2.271 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)C[C@H]1CCC[N@@H+]1C ZINC000561475528 468896319 /nfs/dbraw/zinc/89/63/19/468896319.db2.gz LBCUNZRJUVKPOF-RHSMWYFYSA-N 2 2 341.459 2.430 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)N(C)C[C@H]1CCC[N@H+]1C ZINC000561475528 468896325 /nfs/dbraw/zinc/89/63/25/468896325.db2.gz LBCUNZRJUVKPOF-RHSMWYFYSA-N 2 2 341.459 2.430 10 0 EEAELP O=C(NCC[C@H]1CC[NH2+]C1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000584709853 468918820 /nfs/dbraw/zinc/91/88/20/468918820.db2.gz NBWLNHAVHCGNRK-HZPDHXFCSA-N 2 2 345.491 2.108 10 0 EEAELP CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)s1 ZINC000598957514 469067136 /nfs/dbraw/zinc/06/71/36/469067136.db2.gz WJRSHGUGTUJFKL-CYBMUJFWSA-N 2 2 340.489 2.250 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCOc2ccccc2C1 ZINC000588691696 469158049 /nfs/dbraw/zinc/15/80/49/469158049.db2.gz QLCLKMOSGSGBBY-LJQANCHMSA-N 2 2 326.440 2.374 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCOc2ccccc2C1 ZINC000588691696 469158053 /nfs/dbraw/zinc/15/80/53/469158053.db2.gz QLCLKMOSGSGBBY-LJQANCHMSA-N 2 2 326.440 2.374 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCOc2ccccc2C1 ZINC000588691696 469158058 /nfs/dbraw/zinc/15/80/58/469158058.db2.gz QLCLKMOSGSGBBY-LJQANCHMSA-N 2 2 326.440 2.374 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCOc2ccccc2C1 ZINC000588691696 469158064 /nfs/dbraw/zinc/15/80/64/469158064.db2.gz QLCLKMOSGSGBBY-LJQANCHMSA-N 2 2 326.440 2.374 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000596169969 469184095 /nfs/dbraw/zinc/18/40/95/469184095.db2.gz MKYDNXXCTYWUFK-NVXWUHKLSA-N 2 2 329.444 2.250 10 0 EEAELP COC(=O)Cc1cc[nH+]c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000596169969 469184099 /nfs/dbraw/zinc/18/40/99/469184099.db2.gz MKYDNXXCTYWUFK-NVXWUHKLSA-N 2 2 329.444 2.250 10 0 EEAELP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588976679 469184975 /nfs/dbraw/zinc/18/49/75/469184975.db2.gz UJSYICPWXVZCEM-GJZGRUSLSA-N 2 2 333.480 2.139 10 0 EEAELP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1cn2c([nH+]1)CCCC2 ZINC000588976679 469184981 /nfs/dbraw/zinc/18/49/81/469184981.db2.gz UJSYICPWXVZCEM-GJZGRUSLSA-N 2 2 333.480 2.139 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563338404 469230495 /nfs/dbraw/zinc/23/04/95/469230495.db2.gz JXEBZBYAVBGGHA-OCCSQVGLSA-N 2 2 349.784 2.325 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CC(F)(F)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000563338404 469230503 /nfs/dbraw/zinc/23/05/03/469230503.db2.gz JXEBZBYAVBGGHA-OCCSQVGLSA-N 2 2 349.784 2.325 10 0 EEAELP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000615650159 469291733 /nfs/dbraw/zinc/29/17/33/469291733.db2.gz FWGXFMCNMBACGP-OLMNPRSZSA-N 2 2 340.427 2.349 10 0 EEAELP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000615650159 469291738 /nfs/dbraw/zinc/29/17/38/469291738.db2.gz FWGXFMCNMBACGP-OLMNPRSZSA-N 2 2 340.427 2.349 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1(C)C ZINC000623470740 469666878 /nfs/dbraw/zinc/66/68/78/469666878.db2.gz ZSHGIWMRBZLHSH-NEPJUHHUSA-N 2 2 347.467 2.404 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1(C)C ZINC000623470740 469666880 /nfs/dbraw/zinc/66/68/80/469666880.db2.gz ZSHGIWMRBZLHSH-NEPJUHHUSA-N 2 2 347.467 2.404 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@H+](C)C1 ZINC000617551181 469723455 /nfs/dbraw/zinc/72/34/55/469723455.db2.gz MUJFYHZPJJWBJC-SJORKVTESA-N 2 2 326.444 2.484 10 0 EEAELP CCN(C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC000617551181 469723460 /nfs/dbraw/zinc/72/34/60/469723460.db2.gz MUJFYHZPJJWBJC-SJORKVTESA-N 2 2 326.444 2.484 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000623671020 469728820 /nfs/dbraw/zinc/72/88/20/469728820.db2.gz PMUHFWNVKHGVJH-QZTJIDSGSA-N 2 2 338.455 2.269 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC000623671020 469728823 /nfs/dbraw/zinc/72/88/23/469728823.db2.gz PMUHFWNVKHGVJH-QZTJIDSGSA-N 2 2 338.455 2.269 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CC[NH2+][C@H]2C)c(C)c1 ZINC000627002209 469785306 /nfs/dbraw/zinc/78/53/06/469785306.db2.gz SNCKVMLACJXHPQ-CGTJXYLNSA-N 2 2 341.459 2.291 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(F)cc1Cl ZINC000617765717 469797604 /nfs/dbraw/zinc/79/76/04/469797604.db2.gz NDVKPGBOPPJDGS-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(F)cc1Cl ZINC000617765717 469797606 /nfs/dbraw/zinc/79/76/06/469797606.db2.gz NDVKPGBOPPJDGS-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP Cc1onc(-c2ccccc2)c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617768592 469798484 /nfs/dbraw/zinc/79/84/84/469798484.db2.gz LAOVHOZBCDHFGZ-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP Cc1onc(-c2ccccc2)c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617768592 469798486 /nfs/dbraw/zinc/79/84/86/469798486.db2.gz LAOVHOZBCDHFGZ-UHFFFAOYSA-N 2 2 344.459 2.263 10 0 EEAELP c1[nH+]cn2c1c(N1CCC[C@@H]1C[NH+]1CCOCC1)nc1ccccc12 ZINC000624117098 469846224 /nfs/dbraw/zinc/84/62/24/469846224.db2.gz GQRMCMUZBFHILC-OAHLLOKOSA-N 2 2 337.427 2.184 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000608654707 469853590 /nfs/dbraw/zinc/85/35/90/469853590.db2.gz NDQLVOWUEKYVBC-IRXDYDNUSA-N 2 2 341.459 2.097 10 0 EEAELP Cn1cc[nH+]c1C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000608654707 469853593 /nfs/dbraw/zinc/85/35/93/469853593.db2.gz NDQLVOWUEKYVBC-IRXDYDNUSA-N 2 2 341.459 2.097 10 0 EEAELP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+](CCCF)CC1 ZINC000627956927 470032323 /nfs/dbraw/zinc/03/23/23/470032323.db2.gz DSMNLVRNHATAOX-SFHVURJKSA-N 2 2 333.451 2.155 10 0 EEAELP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[NH+](CCCF)CC1 ZINC000627956927 470032325 /nfs/dbraw/zinc/03/23/25/470032325.db2.gz DSMNLVRNHATAOX-SFHVURJKSA-N 2 2 333.451 2.155 10 0 EEAELP c1cc(OCC[NH+]2CCOCC2)ccc1C[NH2+]CC[C@H]1CCCO1 ZINC000631039064 470053857 /nfs/dbraw/zinc/05/38/57/470053857.db2.gz QMPIXJGEKLSKNC-GOSISDBHSA-N 2 2 334.460 2.056 10 0 EEAELP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1)c1ccco1 ZINC000622047168 470153815 /nfs/dbraw/zinc/15/38/15/470153815.db2.gz NZVCTZBNGROYGH-ZENOOKHLSA-N 2 2 330.432 2.353 10 0 EEAELP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1)c1ccco1 ZINC000622047168 470153817 /nfs/dbraw/zinc/15/38/17/470153817.db2.gz NZVCTZBNGROYGH-ZENOOKHLSA-N 2 2 330.432 2.353 10 0 EEAELP C[NH+]1CCC(CC(=O)N[C@@H](c2[nH]cc[nH+]2)c2ccc(F)cc2)CC1 ZINC000628775129 470154683 /nfs/dbraw/zinc/15/46/83/470154683.db2.gz ZFHCMTWZAOTUPW-QGZVFWFLSA-N 2 2 330.407 2.486 10 0 EEAELP CC[N@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631557986 470172240 /nfs/dbraw/zinc/17/22/40/470172240.db2.gz IJDBXRJUKVILNP-KRWDZBQOSA-N 2 2 326.444 2.215 10 0 EEAELP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631557986 470172241 /nfs/dbraw/zinc/17/22/41/470172241.db2.gz IJDBXRJUKVILNP-KRWDZBQOSA-N 2 2 326.444 2.215 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2Cc3ccc(Cl)cc32)CC1 ZINC000631624112 470175068 /nfs/dbraw/zinc/17/50/68/470175068.db2.gz BOBCKJWEFKOKOI-QGZVFWFLSA-N 2 2 335.879 2.122 10 0 EEAELP Cc1cc(C(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1CC(F)(F)F ZINC000631838631 470186467 /nfs/dbraw/zinc/18/64/67/470186467.db2.gz RVMFKHXPHPFZFU-ZWNOBZJWSA-N 2 2 331.382 2.377 10 0 EEAELP Cc1cc(C(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c(C)n1CC(F)(F)F ZINC000631838631 470186468 /nfs/dbraw/zinc/18/64/68/470186468.db2.gz RVMFKHXPHPFZFU-ZWNOBZJWSA-N 2 2 331.382 2.377 10 0 EEAELP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000631882138 470189141 /nfs/dbraw/zinc/18/91/41/470189141.db2.gz RPYIGHYQRQYYET-HKUYNNGSSA-N 2 2 338.455 2.358 10 0 EEAELP C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)CC[C@@H]21 ZINC000631882138 470189142 /nfs/dbraw/zinc/18/91/42/470189142.db2.gz RPYIGHYQRQYYET-HKUYNNGSSA-N 2 2 338.455 2.358 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3coc4ccc(F)cc34)C2)CC1 ZINC000648780666 470345553 /nfs/dbraw/zinc/34/55/53/470345553.db2.gz UQCSDTBJTWHBCH-AWEZNQCLSA-N 2 2 345.418 2.470 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3coc4ccc(F)cc34)C2)CC1 ZINC000648780666 470345556 /nfs/dbraw/zinc/34/55/56/470345556.db2.gz UQCSDTBJTWHBCH-AWEZNQCLSA-N 2 2 345.418 2.470 10 0 EEAELP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-c4c[nH]c[nH+]4)cc3)[C@H]2C1 ZINC000633204746 470385326 /nfs/dbraw/zinc/38/53/26/470385326.db2.gz AESWJUKMHLEJSC-ZWKOTPCHSA-N 2 2 340.427 2.012 10 0 EEAELP CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-c4c[nH]c[nH+]4)cc3)[C@H]2C1 ZINC000633204746 470385332 /nfs/dbraw/zinc/38/53/32/470385332.db2.gz AESWJUKMHLEJSC-ZWKOTPCHSA-N 2 2 340.427 2.012 10 0 EEAELP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000641805038 470488049 /nfs/dbraw/zinc/48/80/49/470488049.db2.gz DIISSYQHDSJDTG-KFWWJZLASA-N 2 2 329.444 2.120 10 0 EEAELP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCCN2C(=O)c3ccccc3C2=O)[C@@H]1C ZINC000641805038 470488053 /nfs/dbraw/zinc/48/80/53/470488053.db2.gz DIISSYQHDSJDTG-KFWWJZLASA-N 2 2 329.444 2.120 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647246792 470866379 /nfs/dbraw/zinc/86/63/79/470866379.db2.gz QLFFVYTVRRINTK-YVWKXTFCSA-N 2 2 332.488 2.274 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647246792 470866382 /nfs/dbraw/zinc/86/63/82/470866382.db2.gz QLFFVYTVRRINTK-YVWKXTFCSA-N 2 2 332.488 2.274 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2n(n1)CCCC2 ZINC000647295055 470878181 /nfs/dbraw/zinc/87/81/81/470878181.db2.gz YECUWPWESJLENY-ZOCIIQOWSA-N 2 2 332.492 2.248 10 0 EEAELP Cc1c[nH+]ccc1NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638097849 470963641 /nfs/dbraw/zinc/96/36/41/470963641.db2.gz HSSCDIDGTDUBCW-UHFFFAOYSA-N 3 2 338.455 2.134 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901733 471012574 /nfs/dbraw/zinc/01/25/74/471012574.db2.gz UMOPWXXWFOIKCL-JZXOWHBKSA-N 2 2 345.487 2.336 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901733 471012577 /nfs/dbraw/zinc/01/25/77/471012577.db2.gz UMOPWXXWFOIKCL-JZXOWHBKSA-N 2 2 345.487 2.336 10 0 EEAELP CC[N@@H+]1CCc2nc(NC(=O)Cc3cn4c([nH+]3)CCCC4)sc2C1 ZINC000651030558 471029285 /nfs/dbraw/zinc/02/92/85/471029285.db2.gz WGFZJQVNMMCKIQ-UHFFFAOYSA-N 2 2 345.472 2.235 10 0 EEAELP CC[N@H+]1CCc2nc(NC(=O)Cc3cn4c([nH+]3)CCCC4)sc2C1 ZINC000651030558 471029287 /nfs/dbraw/zinc/02/92/87/471029287.db2.gz WGFZJQVNMMCKIQ-UHFFFAOYSA-N 2 2 345.472 2.235 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162126 471107011 /nfs/dbraw/zinc/10/70/11/471107011.db2.gz KUARVVPJYVYILO-JLUCKKNBSA-N 2 2 325.815 2.078 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162126 471107017 /nfs/dbraw/zinc/10/70/17/471107017.db2.gz KUARVVPJYVYILO-JLUCKKNBSA-N 2 2 325.815 2.078 10 0 EEAELP Cc1cccn2cc(CCNC(=O)Cc3cn4c([nH+]3)CCCC4)[nH+]c12 ZINC000651427075 471167285 /nfs/dbraw/zinc/16/72/85/471167285.db2.gz CKXQIACMQRUPIO-UHFFFAOYSA-N 2 2 337.427 2.077 10 0 EEAELP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)n1-c1ccccc1 ZINC000657637929 471195115 /nfs/dbraw/zinc/19/51/15/471195115.db2.gz LWJBWHUCSQIUPY-UKRRQHHQSA-N 2 2 333.457 2.236 10 0 EEAELP C[C@H]1CC[N@H+](CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000654845402 471199566 /nfs/dbraw/zinc/19/95/66/471199566.db2.gz NBRHZHMAIPGAHL-DOTOQJQBSA-N 2 2 326.444 2.162 10 0 EEAELP C[C@H]1CC[N@@H+](CC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)C1 ZINC000654845402 471199571 /nfs/dbraw/zinc/19/95/71/471199571.db2.gz NBRHZHMAIPGAHL-DOTOQJQBSA-N 2 2 326.444 2.162 10 0 EEAELP c1cnn(C2CC([NH2+]CC3(C[NH+]4CCOCC4)CCCCC3)C2)c1 ZINC000638733706 471203585 /nfs/dbraw/zinc/20/35/85/471203585.db2.gz CRBVJSOFDAWTCL-UHFFFAOYSA-N 2 2 332.492 2.459 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)Nc2c(CC)cccc2CC)C[C@H]1C[NH3+] ZINC000652357464 471278529 /nfs/dbraw/zinc/27/85/29/471278529.db2.gz QPLRIRBDHHAYSC-BMGDILEWSA-N 2 2 347.503 2.434 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)Nc2c(CC)cccc2CC)C[C@H]1C[NH3+] ZINC000652357464 471278530 /nfs/dbraw/zinc/27/85/30/471278530.db2.gz QPLRIRBDHHAYSC-BMGDILEWSA-N 2 2 347.503 2.434 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NC3(C4CCC4)CCC3)C2)CC1 ZINC000655552317 471378749 /nfs/dbraw/zinc/37/87/49/471378749.db2.gz VDUKTNNUPSWQJP-MRXNPFEDSA-N 2 2 334.508 2.177 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NC3(C4CCC4)CCC3)C2)CC1 ZINC000655552317 471378751 /nfs/dbraw/zinc/37/87/51/471378751.db2.gz VDUKTNNUPSWQJP-MRXNPFEDSA-N 2 2 334.508 2.177 10 0 EEAELP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000653095837 471483670 /nfs/dbraw/zinc/48/36/70/471483670.db2.gz XRGUEQRGTLFYNK-VXGBXAGGSA-N 2 2 337.773 2.339 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)c2[nH+]ccn21 ZINC000659044531 471486092 /nfs/dbraw/zinc/48/60/92/471486092.db2.gz ROKMYJIMUSPTFK-DAXOMENPSA-N 2 2 341.415 2.372 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC/C=C\C[NH3+])c(C)c1 ZINC000669540568 471541431 /nfs/dbraw/zinc/54/14/31/471541431.db2.gz JGQRLLBWAYPIAQ-LIMHQNJXSA-N 2 2 327.432 2.055 10 0 EEAELP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000669653881 471585878 /nfs/dbraw/zinc/58/58/78/471585878.db2.gz DKAVRACSLXBTNX-HZPDHXFCSA-N 2 2 345.491 2.203 10 0 EEAELP C[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)C1 ZINC000669653881 471585882 /nfs/dbraw/zinc/58/58/82/471585882.db2.gz DKAVRACSLXBTNX-HZPDHXFCSA-N 2 2 345.491 2.203 10 0 EEAELP C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000661100396 471626089 /nfs/dbraw/zinc/62/60/89/471626089.db2.gz QJWSUDRKBLXZKI-RDJZCZTQSA-N 2 2 341.459 2.302 10 0 EEAELP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000661100396 471626092 /nfs/dbraw/zinc/62/60/92/471626092.db2.gz QJWSUDRKBLXZKI-RDJZCZTQSA-N 2 2 341.459 2.302 10 0 EEAELP C[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)c1[nH+]ccn1C ZINC000667248642 471707801 /nfs/dbraw/zinc/70/78/01/471707801.db2.gz CGLOAMJVMIPFTJ-WFASDCNBSA-N 2 2 333.411 2.222 10 0 EEAELP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1 ZINC000653741385 471727645 /nfs/dbraw/zinc/72/76/45/471727645.db2.gz AZFQOIYJKWCZTJ-XZJROXQQSA-N 2 2 328.416 2.153 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659908436 471789071 /nfs/dbraw/zinc/78/90/71/471789071.db2.gz FPJSRHDDLUKHBE-SFHVURJKSA-N 2 2 339.487 2.232 10 0 EEAELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000659908436 471789073 /nfs/dbraw/zinc/78/90/73/471789073.db2.gz FPJSRHDDLUKHBE-SFHVURJKSA-N 2 2 339.487 2.232 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702636 471811787 /nfs/dbraw/zinc/81/17/87/471811787.db2.gz QUGGVIMAJCAOSI-HZPDHXFCSA-N 2 2 336.476 2.287 10 0 EEAELP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702636 471811789 /nfs/dbraw/zinc/81/17/89/471811789.db2.gz QUGGVIMAJCAOSI-HZPDHXFCSA-N 2 2 336.476 2.287 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000656705541 471813520 /nfs/dbraw/zinc/81/35/20/471813520.db2.gz KOXRLKJDHXRJQF-FQEVSTJZSA-N 2 2 344.499 2.154 10 0 EEAELP COCC1(C2CCC2)C[NH+](C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000656705541 471813524 /nfs/dbraw/zinc/81/35/24/471813524.db2.gz KOXRLKJDHXRJQF-FQEVSTJZSA-N 2 2 344.499 2.154 10 0 EEAELP C[C@]12COC[C@H]1C[N@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000661705872 471857235 /nfs/dbraw/zinc/85/72/35/471857235.db2.gz XRVXBKPOJDYINH-AQNXPRMDSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@H]1C[N@@H+](C[C@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000661705872 471857239 /nfs/dbraw/zinc/85/72/39/471857239.db2.gz XRVXBKPOJDYINH-AQNXPRMDSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@H]1C[NH+](C[C@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000661705872 471857246 /nfs/dbraw/zinc/85/72/46/471857246.db2.gz XRVXBKPOJDYINH-AQNXPRMDSA-N 2 2 330.472 2.246 10 0 EEAELP C[C@]12COC[C@H]1C[NH+](C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000661705872 471857249 /nfs/dbraw/zinc/85/72/49/471857249.db2.gz XRVXBKPOJDYINH-AQNXPRMDSA-N 2 2 330.472 2.246 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000667706897 471875022 /nfs/dbraw/zinc/87/50/22/471875022.db2.gz KTCBDLVFHODFJC-AYBZRNKSSA-N 2 2 332.492 2.371 10 0 EEAELP Cn1ncc(C2CCC2)c1C[N@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000667706897 471875026 /nfs/dbraw/zinc/87/50/26/471875026.db2.gz KTCBDLVFHODFJC-AYBZRNKSSA-N 2 2 332.492 2.371 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868310 471883973 /nfs/dbraw/zinc/88/39/73/471883973.db2.gz NTFNQKBNBVSHEM-GOSISDBHSA-N 2 2 342.487 2.287 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868310 471883977 /nfs/dbraw/zinc/88/39/77/471883977.db2.gz NTFNQKBNBVSHEM-GOSISDBHSA-N 2 2 342.487 2.287 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868310 471883982 /nfs/dbraw/zinc/88/39/82/471883982.db2.gz NTFNQKBNBVSHEM-GOSISDBHSA-N 2 2 342.487 2.287 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664868310 471883986 /nfs/dbraw/zinc/88/39/86/471883986.db2.gz NTFNQKBNBVSHEM-GOSISDBHSA-N 2 2 342.487 2.287 10 0 EEAELP C[N@H+](Cc1cccc(N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333464 471947362 /nfs/dbraw/zinc/94/73/62/471947362.db2.gz AVWOIXNCTJAHJG-FQEVSTJZSA-N 2 2 325.456 2.338 10 0 EEAELP C[N@@H+](Cc1cccc(N)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660333464 471947366 /nfs/dbraw/zinc/94/73/66/471947366.db2.gz AVWOIXNCTJAHJG-FQEVSTJZSA-N 2 2 325.456 2.338 10 0 EEAELP C[NH+](Cc1cccc(N)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660333464 471947371 /nfs/dbraw/zinc/94/73/71/471947371.db2.gz AVWOIXNCTJAHJG-FQEVSTJZSA-N 2 2 325.456 2.338 10 0 EEAELP C[NH+](Cc1cccc(N)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660333464 471947376 /nfs/dbraw/zinc/94/73/76/471947376.db2.gz AVWOIXNCTJAHJG-FQEVSTJZSA-N 2 2 325.456 2.338 10 0 EEAELP C[C@H](NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1[nH+]ccn1C ZINC000662095250 471982875 /nfs/dbraw/zinc/98/28/75/471982875.db2.gz NOCDALJGKMKSCL-PCKAHOCUSA-N 2 2 333.480 2.387 10 0 EEAELP Cc1cccc([C@@H]2C(=O)NCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662317995 472067660 /nfs/dbraw/zinc/06/76/60/472067660.db2.gz VQHLJLDJFXPVMH-HXUWFJFHSA-N 2 2 335.451 2.314 10 0 EEAELP Cc1cccc([C@@H]2C(=O)NCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662317995 472067667 /nfs/dbraw/zinc/06/76/67/472067667.db2.gz VQHLJLDJFXPVMH-HXUWFJFHSA-N 2 2 335.451 2.314 10 0 EEAELP CC(C)OC[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000662365043 472085700 /nfs/dbraw/zinc/08/57/00/472085700.db2.gz NYIDMVPMXWUBEQ-AWEZNQCLSA-N 2 2 340.493 2.066 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc(Cl)c(F)c1 ZINC000665600380 472105839 /nfs/dbraw/zinc/10/58/39/472105839.db2.gz BRNMPZISUUNNTF-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc(Cl)c(F)c1 ZINC000665600380 472105844 /nfs/dbraw/zinc/10/58/44/472105844.db2.gz BRNMPZISUUNNTF-UHFFFAOYSA-N 2 2 330.835 2.484 10 0 EEAELP Cn1cc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(-c2ccccc2)n1 ZINC000668740191 472248401 /nfs/dbraw/zinc/24/84/01/472248401.db2.gz RLCJATYIWIKPSM-LJQANCHMSA-N 2 2 340.471 2.118 10 0 EEAELP Cn1cc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(-c2ccccc2)n1 ZINC000668740191 472248409 /nfs/dbraw/zinc/24/84/09/472248409.db2.gz RLCJATYIWIKPSM-LJQANCHMSA-N 2 2 340.471 2.118 10 0 EEAELP Cc1c[nH]c(CNc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)[nH+]1 ZINC000657488368 485567518 /nfs/dbraw/zinc/56/75/18/485567518.db2.gz IXRUGFQSKOXMKH-UHFFFAOYSA-N 2 2 327.432 2.156 10 0 EEAELP C[C@@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045077 485571952 /nfs/dbraw/zinc/57/19/52/485571952.db2.gz SEFLTIPXYPFOBY-NQIIRXRSSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000679045077 485571955 /nfs/dbraw/zinc/57/19/55/485571955.db2.gz SEFLTIPXYPFOBY-NQIIRXRSSA-N 3 2 345.531 2.333 10 0 EEAELP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674364808 485712657 /nfs/dbraw/zinc/71/26/57/485712657.db2.gz VTZUWCIDABOQAZ-GOSISDBHSA-N 2 2 339.443 2.175 10 0 EEAELP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000674364808 485712663 /nfs/dbraw/zinc/71/26/63/485712663.db2.gz VTZUWCIDABOQAZ-GOSISDBHSA-N 2 2 339.443 2.175 10 0 EEAELP O=C([C@H]1CCC[N@@H+]1Cc1ccccn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674364808 485712671 /nfs/dbraw/zinc/71/26/71/485712671.db2.gz VTZUWCIDABOQAZ-GOSISDBHSA-N 2 2 339.443 2.175 10 0 EEAELP O=C([C@H]1CCC[N@H+]1Cc1ccccn1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000674364808 485712677 /nfs/dbraw/zinc/71/26/77/485712677.db2.gz VTZUWCIDABOQAZ-GOSISDBHSA-N 2 2 339.443 2.175 10 0 EEAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000679577292 485739704 /nfs/dbraw/zinc/73/97/04/485739704.db2.gz PJZWUPHGBGCCQP-IHPCNDPISA-N 2 2 332.488 2.418 10 0 EEAELP C[C@H]([NH2+][C@@]1(CO)CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCOC1 ZINC000679577292 485739710 /nfs/dbraw/zinc/73/97/10/485739710.db2.gz PJZWUPHGBGCCQP-IHPCNDPISA-N 2 2 332.488 2.418 10 0 EEAELP O=C(N1CCCC1)N1CC[NH+](Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000680326845 485942328 /nfs/dbraw/zinc/94/23/28/485942328.db2.gz RWFZXNUDBCHFFQ-UHFFFAOYSA-N 2 2 345.472 2.267 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC3(F)F)CC2)CC1 ZINC000672795597 486199290 /nfs/dbraw/zinc/19/92/90/486199290.db2.gz UFIJRXKVKMQVIV-HNNXBMFYSA-N 2 2 344.450 2.032 10 0 EEAELP Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Cl)n1 ZINC000733164516 577206014 /nfs/dbraw/zinc/20/60/14/577206014.db2.gz VWVSYHKCBPWBQR-UHFFFAOYSA-N 2 2 338.883 2.141 10 0 EEAELP Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Cl)n1 ZINC000733164516 577206015 /nfs/dbraw/zinc/20/60/15/577206015.db2.gz VWVSYHKCBPWBQR-UHFFFAOYSA-N 2 2 338.883 2.141 10 0 EEAELP C[NH+](C)Cc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1Cl ZINC000897626556 691704596 /nfs/dbraw/zinc/70/45/96/691704596.db2.gz RHGSQNOBBZWAJE-OAHLLOKOSA-N 2 2 337.851 2.061 10 0 EEAELP CCO[C@H](C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21)C[NH+](C)C ZINC000926957367 693040764 /nfs/dbraw/zinc/04/07/64/693040764.db2.gz AJTDHENWWKHHSR-MJGOQNOKSA-N 2 2 333.476 2.036 10 0 EEAELP Cc1cccc(Cl)c1C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001485538114 1191827382 /nfs/dbraw/zinc/82/73/82/1191827382.db2.gz DCLRKVBDRIFCJH-AWEZNQCLSA-N 2 2 346.862 2.482 10 0 EEAELP CCCCC[N@@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001266320525 1176250403 /nfs/dbraw/zinc/25/04/03/1176250403.db2.gz BWNZHBIGKYUNIH-RHSMWYFYSA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[N@H+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001266320525 1176250443 /nfs/dbraw/zinc/25/04/43/1176250443.db2.gz BWNZHBIGKYUNIH-RHSMWYFYSA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001266320525 1176250485 /nfs/dbraw/zinc/25/04/85/1176250485.db2.gz BWNZHBIGKYUNIH-RHSMWYFYSA-N 2 2 333.480 2.171 10 0 EEAELP CCCCC[NH+]1CC[C@@H](NC(=O)c2cc([C@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001266320525 1176250520 /nfs/dbraw/zinc/25/05/20/1176250520.db2.gz BWNZHBIGKYUNIH-RHSMWYFYSA-N 2 2 333.480 2.171 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]([NH2+]Cc1ccc2cc[nH]c2c1)C1CC1 ZINC001266431446 1176526190 /nfs/dbraw/zinc/52/61/90/1176526190.db2.gz OYHKUTQVRJVJEE-SFHVURJKSA-N 2 2 337.427 2.118 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001266491423 1176628778 /nfs/dbraw/zinc/62/87/78/1176628778.db2.gz NIGKICAJSTUKDS-FPXTWJHWSA-N 2 2 330.476 2.384 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCc1[nH+]ccn1C ZINC001266491423 1176628783 /nfs/dbraw/zinc/62/87/83/1176628783.db2.gz NIGKICAJSTUKDS-FPXTWJHWSA-N 2 2 330.476 2.384 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)n1 ZINC001266494890 1176637113 /nfs/dbraw/zinc/63/71/13/1176637113.db2.gz CFFCBDPJXHYWAI-HNNXBMFYSA-N 2 2 347.850 2.021 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+]1Cc1cccc(Cl)n1 ZINC001266494890 1176637119 /nfs/dbraw/zinc/63/71/19/1176637119.db2.gz CFFCBDPJXHYWAI-HNNXBMFYSA-N 2 2 347.850 2.021 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001691108327 1177586690 /nfs/dbraw/zinc/58/66/90/1177586690.db2.gz GDSMHLBCMDTRFO-SFHVURJKSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001691108327 1177586692 /nfs/dbraw/zinc/58/66/92/1177586692.db2.gz GDSMHLBCMDTRFO-SFHVURJKSA-N 2 2 330.476 2.434 10 0 EEAELP CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001267175889 1178419156 /nfs/dbraw/zinc/41/91/56/1178419156.db2.gz VJSIFDINMPVIMH-FUHWJXTLSA-N 2 2 337.508 2.011 10 0 EEAELP CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001267175889 1178419161 /nfs/dbraw/zinc/41/91/61/1178419161.db2.gz VJSIFDINMPVIMH-FUHWJXTLSA-N 2 2 337.508 2.011 10 0 EEAELP CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001267175889 1178419169 /nfs/dbraw/zinc/41/91/69/1178419169.db2.gz VJSIFDINMPVIMH-FUHWJXTLSA-N 2 2 337.508 2.011 10 0 EEAELP CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001267175889 1178419172 /nfs/dbraw/zinc/41/91/72/1178419172.db2.gz VJSIFDINMPVIMH-FUHWJXTLSA-N 2 2 337.508 2.011 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[NH2+]Cc1oc(C)nc1C ZINC001267374838 1178895298 /nfs/dbraw/zinc/89/52/98/1178895298.db2.gz NXXWTQKXUCLAIP-ZDUSSCGKSA-N 2 2 347.463 2.250 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc2cc[nH]c2c1 ZINC001481020185 1179511908 /nfs/dbraw/zinc/51/19/08/1179511908.db2.gz ILZCZXUBXTXLJH-UHFFFAOYSA-N 2 2 325.416 2.003 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1)Cc1ccc2cc[nH]c2c1 ZINC001481020185 1179511914 /nfs/dbraw/zinc/51/19/14/1179511914.db2.gz ILZCZXUBXTXLJH-UHFFFAOYSA-N 2 2 325.416 2.003 10 0 EEAELP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125134 1179827707 /nfs/dbraw/zinc/82/77/07/1179827707.db2.gz AAWUAANPYQOOME-LSDHHAIUSA-N 2 2 330.407 2.222 10 0 EEAELP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001481125134 1179827719 /nfs/dbraw/zinc/82/77/19/1179827719.db2.gz AAWUAANPYQOOME-LSDHHAIUSA-N 2 2 330.407 2.222 10 0 EEAELP Cc1oncc1C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001481189231 1180040185 /nfs/dbraw/zinc/04/01/85/1180040185.db2.gz FKCGBVAUPGPSSP-QZTJIDSGSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001481189231 1180040186 /nfs/dbraw/zinc/04/01/86/1180040186.db2.gz FKCGBVAUPGPSSP-QZTJIDSGSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001481189231 1180040187 /nfs/dbraw/zinc/04/01/87/1180040187.db2.gz FKCGBVAUPGPSSP-QZTJIDSGSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1oncc1C[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001481189231 1180040188 /nfs/dbraw/zinc/04/01/88/1180040188.db2.gz FKCGBVAUPGPSSP-QZTJIDSGSA-N 2 2 346.475 2.081 10 0 EEAELP Cc1ccc2sc(C[NH2+]CCN(C)C(=O)Cc3c[nH+]c[nH]3)nc2c1 ZINC001481284986 1180841503 /nfs/dbraw/zinc/84/15/03/1180841503.db2.gz ODKMOHDEAJVOPN-UHFFFAOYSA-N 2 2 343.456 2.119 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H]1C[NH2+]CC[C@H]1CCCC1(F)F ZINC001267966812 1180865667 /nfs/dbraw/zinc/86/56/67/1180865667.db2.gz RNXRJMDPVXORNU-ZIAGYGMSSA-N 2 2 340.418 2.358 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001481304222 1180971355 /nfs/dbraw/zinc/97/13/55/1180971355.db2.gz MPNLCJKRHCNPRC-UHFFFAOYSA-N 2 2 332.423 2.383 10 0 EEAELP C[C@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+][C@H](C)c1nc2ccccc2o1 ZINC001268016752 1180981207 /nfs/dbraw/zinc/98/12/07/1180981207.db2.gz FWGAAIJAINKKRL-UONOGXRCSA-N 2 2 341.415 2.127 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@H+](Cc2ocnc2C)C1 ZINC001481412367 1181255041 /nfs/dbraw/zinc/25/50/41/1181255041.db2.gz VDTQPOZNZYVGEM-INIZCTEOSA-N 2 2 345.447 2.001 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC001481412367 1181255049 /nfs/dbraw/zinc/25/50/49/1181255049.db2.gz VDTQPOZNZYVGEM-INIZCTEOSA-N 2 2 345.447 2.001 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC(F)(F)F ZINC001268290938 1182180506 /nfs/dbraw/zinc/18/05/06/1182180506.db2.gz LAXDYTHFGAOYAE-RYUDHWBXSA-N 2 2 332.370 2.088 10 0 EEAELP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H]1CC1(Cl)Cl ZINC001481680616 1182194347 /nfs/dbraw/zinc/19/43/47/1182194347.db2.gz HOMGNSJMMNFNLE-RDBSUJKOSA-N 2 2 348.318 2.197 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H]1CC1(Cl)Cl ZINC001481680616 1182194354 /nfs/dbraw/zinc/19/43/54/1182194354.db2.gz HOMGNSJMMNFNLE-RDBSUJKOSA-N 2 2 348.318 2.197 10 0 EEAELP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CC1(Cl)Cl ZINC001481680616 1182194356 /nfs/dbraw/zinc/19/43/56/1182194356.db2.gz HOMGNSJMMNFNLE-RDBSUJKOSA-N 2 2 348.318 2.197 10 0 EEAELP CCC[NH+](C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC[C@@H]1CC1(Cl)Cl ZINC001481680616 1182194361 /nfs/dbraw/zinc/19/43/61/1182194361.db2.gz HOMGNSJMMNFNLE-RDBSUJKOSA-N 2 2 348.318 2.197 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001481747640 1182519074 /nfs/dbraw/zinc/51/90/74/1182519074.db2.gz RIJDKEHSRABHMO-CABCVRRESA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2)C1)[NH+](C)C ZINC001481747640 1182519077 /nfs/dbraw/zinc/51/90/77/1182519077.db2.gz RIJDKEHSRABHMO-CABCVRRESA-N 2 2 338.883 2.108 10 0 EEAELP CC[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ncccc1C ZINC001481855773 1182814852 /nfs/dbraw/zinc/81/48/52/1182814852.db2.gz UEXUZTKDILUEBZ-JKSUJKDBSA-N 2 2 329.448 2.222 10 0 EEAELP CC[C@H](CNC(=O)Cc1[nH]cc[nH+]1)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001481862008 1182830125 /nfs/dbraw/zinc/83/01/25/1182830125.db2.gz RGUAASWBXHUARQ-IAQYHMDHSA-N 2 2 348.397 2.402 10 0 EEAELP CC(C)OCC[NH2+]C[C@@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001481933311 1182980888 /nfs/dbraw/zinc/98/08/88/1182980888.db2.gz IBZGCFHGJJQSMP-LJQANCHMSA-N 2 2 344.459 2.476 10 0 EEAELP CO[C@H](C[NH2+]C/C=C\CNC(=O)c1cccc2[nH+]ccn21)C1CCC1 ZINC001268567806 1183275896 /nfs/dbraw/zinc/27/58/96/1183275896.db2.gz SPVSVEWDOQYPQH-BAHPRDJBSA-N 2 2 342.443 2.025 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+]Cc1csc(Cl)n1 ZINC001268931470 1183835285 /nfs/dbraw/zinc/83/52/85/1183835285.db2.gz SZKDNYKFLPQYLN-UHFFFAOYSA-N 2 2 341.868 2.009 10 0 EEAELP CC(C)=CC[NH2+]C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)C1CC1 ZINC001269071572 1183939665 /nfs/dbraw/zinc/93/96/65/1183939665.db2.gz MGHXMJJHKYZHEV-KRWDZBQOSA-N 2 2 330.476 2.213 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269252300 1184103747 /nfs/dbraw/zinc/10/37/47/1184103747.db2.gz XIZJTUHKLGNUGP-IRXDYDNUSA-N 2 2 336.480 2.040 10 0 EEAELP CCOCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001269252300 1184103750 /nfs/dbraw/zinc/10/37/50/1184103750.db2.gz XIZJTUHKLGNUGP-IRXDYDNUSA-N 2 2 336.480 2.040 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001691506093 1184847825 /nfs/dbraw/zinc/84/78/25/1184847825.db2.gz FHURHJQFEIWPKK-OTLMLMNOSA-N 2 2 330.476 2.286 10 0 EEAELP COC[C@@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001482454919 1185867235 /nfs/dbraw/zinc/86/72/35/1185867235.db2.gz WXYWAOHIRSVQJK-NVXWUHKLSA-N 2 2 349.475 2.028 10 0 EEAELP COC[C@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001482454920 1185867487 /nfs/dbraw/zinc/86/74/87/1185867487.db2.gz WXYWAOHIRSVQJK-RDJZCZTQSA-N 2 2 349.475 2.028 10 0 EEAELP CCOCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001482470261 1185987927 /nfs/dbraw/zinc/98/79/27/1185987927.db2.gz FNEPIGDPUBAZRG-HZPDHXFCSA-N 2 2 344.459 2.201 10 0 EEAELP CCOCC[NH2+][C@@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@@H]1C ZINC001271415409 1186199519 /nfs/dbraw/zinc/19/95/19/1186199519.db2.gz HOQDMHXSBCCWLT-WMLDXEAASA-N 2 2 333.476 2.484 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@H+](C)Cc1ccccc1Cl ZINC001496741913 1186667995 /nfs/dbraw/zinc/66/79/95/1186667995.db2.gz DHDYEOHFTBMOBF-UHFFFAOYSA-N 2 2 334.851 2.435 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1Cl ZINC001496741913 1186667998 /nfs/dbraw/zinc/66/79/98/1186667998.db2.gz DHDYEOHFTBMOBF-UHFFFAOYSA-N 2 2 334.851 2.435 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@@H](O)C[NH2+]CC2CC(C)(C)C2)c(C)[nH+]1 ZINC001482752400 1187698528 /nfs/dbraw/zinc/69/85/28/1187698528.db2.gz IBDGJCRXTLOYII-INIZCTEOSA-N 2 2 333.476 2.123 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)CC[NH2+]Cc1cc(F)cc(F)c1 ZINC001482890171 1187816339 /nfs/dbraw/zinc/81/63/39/1187816339.db2.gz KXTGBDZDPWZMPL-LLVKDONJSA-N 2 2 336.386 2.223 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)Cc1c[nH+]cn1C ZINC001482962635 1187896606 /nfs/dbraw/zinc/89/66/06/1187896606.db2.gz OSJMWSTXQJFIPH-AWEZNQCLSA-N 2 2 342.434 2.226 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001485932468 1193650222 /nfs/dbraw/zinc/65/02/22/1193650222.db2.gz PRUJCJMLKQMDRQ-HIFRSBDPSA-N 2 2 343.475 2.237 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001485932468 1193650223 /nfs/dbraw/zinc/65/02/23/1193650223.db2.gz PRUJCJMLKQMDRQ-HIFRSBDPSA-N 2 2 343.475 2.237 10 0 EEAELP O=C(N[C@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001483571867 1190560194 /nfs/dbraw/zinc/56/01/94/1190560194.db2.gz UOWFTEDZMKLNPY-QZTJIDSGSA-N 2 2 342.487 2.430 10 0 EEAELP C[C@@H](F)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001409826858 1190659326 /nfs/dbraw/zinc/65/93/26/1190659326.db2.gz LZXKGTGCPWVCIS-HZPDHXFCSA-N 2 2 338.471 2.462 10 0 EEAELP C[C@@H](F)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1[nH+]ccn1C ZINC001409826858 1190659327 /nfs/dbraw/zinc/65/93/27/1190659327.db2.gz LZXKGTGCPWVCIS-HZPDHXFCSA-N 2 2 338.471 2.462 10 0 EEAELP O=C([C@H]1CCc2c[nH+]cn2C1)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001272475276 1190840545 /nfs/dbraw/zinc/84/05/45/1190840545.db2.gz NZIXRSBOECXGAK-MSOLQXFVSA-N 2 2 344.503 2.464 10 0 EEAELP CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccncc2Cl)C1)[NH+](C)C ZINC001409902218 1190983355 /nfs/dbraw/zinc/98/33/55/1190983355.db2.gz AVCSUNALCKUTPY-MLGOLLRUSA-N 2 2 338.883 2.012 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](CC[NH2+]CCc2ccccc2)C1 ZINC001484550820 1191410158 /nfs/dbraw/zinc/41/01/58/1191410158.db2.gz XNJDEBZGPDKJKD-GOSISDBHSA-N 2 2 340.471 2.332 10 0 EEAELP CC/C=C/CC[N@@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001484595273 1191435837 /nfs/dbraw/zinc/43/58/37/1191435837.db2.gz HPDQMOIYKRCLQW-JDTHPWDHSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[N@H+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001484595273 1191435838 /nfs/dbraw/zinc/43/58/38/1191435838.db2.gz HPDQMOIYKRCLQW-JDTHPWDHSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001484595273 1191435839 /nfs/dbraw/zinc/43/58/39/1191435839.db2.gz HPDQMOIYKRCLQW-JDTHPWDHSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C/CC[NH+]1CCOC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001484595273 1191435840 /nfs/dbraw/zinc/43/58/40/1191435840.db2.gz HPDQMOIYKRCLQW-JDTHPWDHSA-N 2 2 337.508 2.034 10 0 EEAELP CC1([NH2+]CC[C@H]2CCOC2)CCN(C(=O)CCCn2cc[nH+]c2)CC1 ZINC001484928312 1191574077 /nfs/dbraw/zinc/57/40/77/1191574077.db2.gz ODXSLAQIFWBLNK-KRWDZBQOSA-N 2 2 348.491 2.061 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn1cc[nH+]c1 ZINC001485176617 1191677459 /nfs/dbraw/zinc/67/74/59/1191677459.db2.gz KLYXPYPWVHSCAZ-JKSUJKDBSA-N 2 2 344.459 2.273 10 0 EEAELP CN(CC(C)(C)C[NH2+]Cc1cccc(Cl)n1)C(=O)Cc1c[nH+]c[nH]1 ZINC001485260520 1191708882 /nfs/dbraw/zinc/70/88/82/1191708882.db2.gz RCLOYDSXAHCSKM-UHFFFAOYSA-N 2 2 349.866 2.275 10 0 EEAELP CCOC1CC(C[NH2+]CC2(NC(=O)Cn3cc[nH+]c3)CCCCC2)C1 ZINC001485459559 1191797727 /nfs/dbraw/zinc/79/77/27/1191797727.db2.gz VJKGFROCCLUVLY-UHFFFAOYSA-N 2 2 348.491 2.107 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH]c[nH+]1)C1CC[NH+](CCc2ccccc2)CC1 ZINC001486440678 1193968717 /nfs/dbraw/zinc/96/87/17/1193968717.db2.gz XKPJYFIKZFAHGO-MRXNPFEDSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]C/C(Cl)=C/Cl ZINC001410434210 1197882022 /nfs/dbraw/zinc/88/20/22/1197882022.db2.gz JBWNGXIYMNCFBA-DQWNNTKLSA-N 2 2 345.274 2.279 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@H+](CC(=O)N1CCC(Cc3ccccc3)CC1)C2 ZINC000872148383 1198056756 /nfs/dbraw/zinc/05/67/56/1198056756.db2.gz DGVDHDHCJKAWMF-PZJWPPBQSA-N 2 2 341.499 2.009 10 0 EEAELP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CC(=O)N1CCC(Cc3ccccc3)CC1)C2 ZINC000872148383 1198056762 /nfs/dbraw/zinc/05/67/62/1198056762.db2.gz DGVDHDHCJKAWMF-PZJWPPBQSA-N 2 2 341.499 2.009 10 0 EEAELP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865495389 1198247064 /nfs/dbraw/zinc/24/70/64/1198247064.db2.gz LJIJFAHNMSPTID-LSDHHAIUSA-N 2 2 327.831 2.342 10 0 EEAELP CC[C@H](C[N@@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12)OC ZINC001410893380 1198547558 /nfs/dbraw/zinc/54/75/58/1198547558.db2.gz FFQRVKHUIWPPIG-ZIFCJYIRSA-N 2 2 348.491 2.202 10 0 EEAELP CC[C@H](C[N@H+]1CC[C@]2(NC(=O)CCCn3cc[nH+]c3)CCC[C@H]12)OC ZINC001410893380 1198547563 /nfs/dbraw/zinc/54/75/63/1198547563.db2.gz FFQRVKHUIWPPIG-ZIFCJYIRSA-N 2 2 348.491 2.202 10 0 EEAELP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]C/C(Cl)=C\Cl ZINC001410970222 1198647854 /nfs/dbraw/zinc/64/78/54/1198647854.db2.gz DJGDDSSJHMNXAW-WHGQRRHOSA-N 2 2 345.274 2.419 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001411233434 1198943986 /nfs/dbraw/zinc/94/39/86/1198943986.db2.gz HVELEXFHFBQNAZ-SJLPKXTDSA-N 2 2 348.491 2.059 10 0 EEAELP CC(=O)c1[nH]c(CC[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc1C ZINC000880258749 1201439484 /nfs/dbraw/zinc/43/94/84/1201439484.db2.gz CCDSNNNGLLUTTR-ZDUSSCGKSA-N 2 2 327.432 2.069 10 0 EEAELP CC(=O)c1[nH]c(CC[N@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)nc1C ZINC000880258749 1201439488 /nfs/dbraw/zinc/43/94/88/1201439488.db2.gz CCDSNNNGLLUTTR-ZDUSSCGKSA-N 2 2 327.432 2.069 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)nc2ccccc2c1=O ZINC000866706208 1201585508 /nfs/dbraw/zinc/58/55/08/1201585508.db2.gz GKHSJADJVPSJII-IBGZPJMESA-N 2 2 328.460 2.130 10 0 EEAELP Cn1c(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)nc2ccccc2c1=O ZINC000866706208 1201585509 /nfs/dbraw/zinc/58/55/09/1201585509.db2.gz GKHSJADJVPSJII-IBGZPJMESA-N 2 2 328.460 2.130 10 0 EEAELP COCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001691723394 1204196986 /nfs/dbraw/zinc/19/69/86/1204196986.db2.gz ABKWCBLSFXUYSR-KDOFPFPSSA-N 2 2 344.459 2.430 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)o1 ZINC001274025295 1204331408 /nfs/dbraw/zinc/33/14/08/1204331408.db2.gz KIRZLUFLZRKZBM-DKLOGILVSA-N 2 2 334.464 2.179 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)o1 ZINC001274025295 1204331411 /nfs/dbraw/zinc/33/14/11/1204331411.db2.gz KIRZLUFLZRKZBM-DKLOGILVSA-N 2 2 334.464 2.179 10 0 EEAELP CCOCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001274453227 1205043131 /nfs/dbraw/zinc/04/31/31/1205043131.db2.gz HYJRCDYNHXZHOA-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP CCOCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C(C)(C)C1 ZINC001274453227 1205043134 /nfs/dbraw/zinc/04/31/34/1205043134.db2.gz HYJRCDYNHXZHOA-CVEARBPZSA-N 2 2 336.480 2.087 10 0 EEAELP C[C@H]([NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1)c1ccc(F)cc1F ZINC001274631586 1205105900 /nfs/dbraw/zinc/10/59/00/1205105900.db2.gz LBNLIWDORKXJPZ-IBUXWKBASA-N 2 2 334.370 2.185 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)C[NH2+]CCc1ccccc1F ZINC001274803495 1205168854 /nfs/dbraw/zinc/16/88/54/1205168854.db2.gz 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ZINC001673997311 1356768820 /nfs/dbraw/zinc/76/88/20/1356768820.db2.gz OVDOZDRFEPLCDH-UHFFFAOYSA-N 2 2 348.491 2.048 10 0 EEAELP COCCC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001674023963 1356776942 /nfs/dbraw/zinc/77/69/42/1356776942.db2.gz UDHNRNRITGMSSE-INIZCTEOSA-N 2 2 344.459 2.201 10 0 EEAELP COCCC[N@H+]1CC[C@H](NC(=O)c2cccc3[nH+]ccn32)C(C)(C)C1 ZINC001674023963 1356776947 /nfs/dbraw/zinc/77/69/47/1356776947.db2.gz UDHNRNRITGMSSE-INIZCTEOSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)[C@@H](C)[NH2+]CCOC1CCCCCC1 ZINC001674748025 1356888259 /nfs/dbraw/zinc/88/82/59/1356888259.db2.gz MVWBQUPJQZMOBR-HUUCEWRRSA-N 2 2 336.480 2.174 10 0 EEAELP CC(C)C[C@@H](C[NH2+]CCC1CC1)NC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001698869552 1405123315 /nfs/dbraw/zinc/12/33/15/1405123315.db2.gz CPYXTOAKFNMSIW-IRXDYDNUSA-N 2 2 332.492 2.366 10 0 EEAELP CC(C)OCC[NH2+][C@@H](CNC(=O)c1cccc2[nH+]ccn21)C(C)C ZINC001698968284 1405192113 /nfs/dbraw/zinc/19/21/13/1405192113.db2.gz UVZLGVLVEHNHRO-HNNXBMFYSA-N 2 2 332.448 2.103 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC/C=C/C[NH2+]Cc1ccc(F)c(F)c1 ZINC001699286808 1405317782 /nfs/dbraw/zinc/31/77/82/1405317782.db2.gz CXJGNHHRYSZRII-NSCUHMNNSA-N 2 2 348.397 2.093 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC001699294482 1405324957 /nfs/dbraw/zinc/32/49/57/1405324957.db2.gz AIHGZYFUQMWNIT-JMPBZCSLSA-N 2 2 334.464 2.036 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC001699294482 1405324964 /nfs/dbraw/zinc/32/49/64/1405324964.db2.gz AIHGZYFUQMWNIT-JMPBZCSLSA-N 2 2 334.464 2.036 10 0 EEAELP C/C(=C/C(=O)NC1CCC2(CC1)CC[NH+](C)CC2)C[NH+]1CCOCC1 ZINC000908490630 785449227 /nfs/dbraw/zinc/44/92/27/785449227.db2.gz NQYRGMQFNRNZRP-ICFOKQHNSA-N 2 2 349.519 2.036 10 0 EEAELP C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000924832088 786947572 /nfs/dbraw/zinc/94/75/72/786947572.db2.gz KATZPKAJWUKRKK-IAGOWNOFSA-N 2 2 348.487 2.158 10 0 EEAELP C[N@@H+](Cc1cscc1Br)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923425812 789527453 /nfs/dbraw/zinc/52/74/53/789527453.db2.gz ITAWIIBSEAUUNT-NSHDSACASA-N 2 2 331.279 2.321 10 0 EEAELP C[N@H+](Cc1cscc1Br)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923425812 789527461 /nfs/dbraw/zinc/52/74/61/789527461.db2.gz ITAWIIBSEAUUNT-NSHDSACASA-N 2 2 331.279 2.321 10 0 EEAELP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)[C@@](C)(O)c2ccccc2)CC1 ZINC000846038811 790033683 /nfs/dbraw/zinc/03/36/83/790033683.db2.gz QLHIBKFSUANPJW-OXQOHEQNSA-N 2 2 348.487 2.290 10 0 EEAELP CC(C)[C@@]1(C)CC(=O)N(C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1=O ZINC000151808092 794180442 /nfs/dbraw/zinc/18/04/42/794180442.db2.gz LCVQFCHOVVECLR-LJQANCHMSA-N 2 2 335.492 2.173 10 0 EEAELP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000921695498 795391049 /nfs/dbraw/zinc/39/10/49/795391049.db2.gz UTRXYDUMQLEMJL-BZUAXINKSA-N 2 2 336.867 2.089 10 0 EEAELP C[N@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000921695498 795391055 /nfs/dbraw/zinc/39/10/55/795391055.db2.gz UTRXYDUMQLEMJL-BZUAXINKSA-N 2 2 336.867 2.089 10 0 EEAELP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000921695498 795391062 /nfs/dbraw/zinc/39/10/62/795391062.db2.gz UTRXYDUMQLEMJL-BZUAXINKSA-N 2 2 336.867 2.089 10 0 EEAELP C[NH+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000921695498 795391067 /nfs/dbraw/zinc/39/10/67/795391067.db2.gz UTRXYDUMQLEMJL-BZUAXINKSA-N 2 2 336.867 2.089 10 0 EEAELP O=C(OCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(C[NH+]2CCCC2)c1 ZINC000785707877 806571122 /nfs/dbraw/zinc/57/11/22/806571122.db2.gz CDTSIRJIQAITJD-KDURUIRLSA-N 2 2 344.455 2.302 10 0 EEAELP O=C(OCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)c1cccc(C[NH+]2CCCC2)c1 ZINC000785707877 806571128 /nfs/dbraw/zinc/57/11/28/806571128.db2.gz CDTSIRJIQAITJD-KDURUIRLSA-N 2 2 344.455 2.302 10 0 EEAELP CCn1cc(C[NH+]2CC(Cn3c(C)c[nH+]c3C3CCOCC3)C2)cn1 ZINC000581808107 803106984 /nfs/dbraw/zinc/10/69/84/803106984.db2.gz UQLFYUWELHCRGL-UHFFFAOYSA-N 2 2 343.475 2.434 10 0 EEAELP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2)C1)c1cccc(F)c1 ZINC001436406664 1087757001 /nfs/dbraw/zinc/75/70/01/1087757001.db2.gz UNEPKRGECRMFCY-CKEIUWERSA-N 2 2 330.407 2.268 10 0 EEAELP CC(C)C[NH2+]Cc1nc2c(s1)CCN(C(=O)CCn1cc[nH+]c1)C2 ZINC001436499684 1088024153 /nfs/dbraw/zinc/02/41/53/1088024153.db2.gz ORMFWXVRKFMFMO-UHFFFAOYSA-N 2 2 347.488 2.060 10 0 EEAELP CC[C@H](F)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001436693698 1088150520 /nfs/dbraw/zinc/15/05/20/1088150520.db2.gz CZDLSTSCRFTDNV-RBUKOAKNSA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@H](F)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001436693698 1088150525 /nfs/dbraw/zinc/15/05/25/1088150525.db2.gz CZDLSTSCRFTDNV-RBUKOAKNSA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@H](F)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001436693698 1088150531 /nfs/dbraw/zinc/15/05/31/1088150531.db2.gz CZDLSTSCRFTDNV-RBUKOAKNSA-N 2 2 349.494 2.490 10 0 EEAELP CC[C@H](F)C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001436693698 1088150535 /nfs/dbraw/zinc/15/05/35/1088150535.db2.gz CZDLSTSCRFTDNV-RBUKOAKNSA-N 2 2 349.494 2.490 10 0 EEAELP CO[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001437038982 1088896530 /nfs/dbraw/zinc/89/65/30/1088896530.db2.gz TYPMEHBHYCVLMV-ZWKOTPCHSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@H](C[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH]c[nH+]1)C1CCC1 ZINC001437038982 1088896553 /nfs/dbraw/zinc/89/65/53/1088896553.db2.gz TYPMEHBHYCVLMV-ZWKOTPCHSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC001437038982 1088896566 /nfs/dbraw/zinc/89/65/66/1088896566.db2.gz TYPMEHBHYCVLMV-ZWKOTPCHSA-N 2 2 348.491 2.128 10 0 EEAELP CO[C@H](C[N@H+]1CCCC[C@H]1CNC(=O)CCc1c[nH+]c[nH]1)C1CCC1 ZINC001437038982 1088896589 /nfs/dbraw/zinc/89/65/89/1088896589.db2.gz TYPMEHBHYCVLMV-ZWKOTPCHSA-N 2 2 348.491 2.128 10 0 EEAELP COCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001437038862 1088898086 /nfs/dbraw/zinc/89/80/86/1088898086.db2.gz TXOUWJAFMQSILK-IAGOWNOFSA-N 2 2 336.480 2.087 10 0 EEAELP COCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC(C)C)n1cc[nH+]c1 ZINC001437038862 1088898100 /nfs/dbraw/zinc/89/81/00/1088898100.db2.gz TXOUWJAFMQSILK-IAGOWNOFSA-N 2 2 336.480 2.087 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@@H+]2CCC(F)(F)F)c[nH+]1 ZINC001437679784 1090214402 /nfs/dbraw/zinc/21/44/02/1090214402.db2.gz NIWBXGIDCHOBGL-ZDUSSCGKSA-N 2 2 346.397 2.460 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H]2CCC[N@H+]2CCC(F)(F)F)c[nH+]1 ZINC001437679784 1090214405 /nfs/dbraw/zinc/21/44/05/1090214405.db2.gz NIWBXGIDCHOBGL-ZDUSSCGKSA-N 2 2 346.397 2.460 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001437963924 1090559099 /nfs/dbraw/zinc/55/90/99/1090559099.db2.gz YOINZPUHTVTDBE-GOSISDBHSA-N 2 2 326.444 2.220 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@@H](CCNC(=O)Cn3cc[nH+]c3)C2)cc1 ZINC001437963924 1090559105 /nfs/dbraw/zinc/55/91/05/1090559105.db2.gz YOINZPUHTVTDBE-GOSISDBHSA-N 2 2 326.444 2.220 10 0 EEAELP CCc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001438193048 1090689854 /nfs/dbraw/zinc/68/98/54/1090689854.db2.gz BASWQVYEYCLBLX-ZFWWWQNUSA-N 2 2 345.447 2.084 10 0 EEAELP CCc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001438193048 1090689860 /nfs/dbraw/zinc/68/98/60/1090689860.db2.gz BASWQVYEYCLBLX-ZFWWWQNUSA-N 2 2 345.447 2.084 10 0 EEAELP CC[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1cccc(C)c1 ZINC001438340507 1090816832 /nfs/dbraw/zinc/81/68/32/1090816832.db2.gz KQLZXWHBJUXJBT-ZWKOTPCHSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC1(C[NH2+]Cc2nc(C)c(C)o2)CCCC1 ZINC001438390732 1090878656 /nfs/dbraw/zinc/87/86/56/1090878656.db2.gz ZYDQOEDKFFOAIZ-UHFFFAOYSA-N 2 2 345.447 2.015 10 0 EEAELP C[C@@H](CNC(=O)Cn1cc[nH+]c1)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001438550711 1091043068 /nfs/dbraw/zinc/04/30/68/1091043068.db2.gz KDMAVWSSFOMHDF-SJORKVTESA-N 2 2 340.471 2.030 10 0 EEAELP CC(C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC1CCCC1 ZINC001438809388 1091422630 /nfs/dbraw/zinc/42/26/30/1091422630.db2.gz SYEQLGOWCJPVJP-FUHWJXTLSA-N 2 2 332.492 2.366 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001445973305 1091928791 /nfs/dbraw/zinc/92/87/91/1091928791.db2.gz NSHDCFOFQCSSDH-MRXNPFEDSA-N 2 2 332.492 2.273 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@H+](C)[C@H]1CCc2ccccc21 ZINC001439400532 1092156321 /nfs/dbraw/zinc/15/63/21/1092156321.db2.gz NDGIPQYXMOKVGP-ACJLOTCBSA-N 2 2 326.444 2.385 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001439400532 1092156327 /nfs/dbraw/zinc/15/63/27/1092156327.db2.gz NDGIPQYXMOKVGP-ACJLOTCBSA-N 2 2 326.444 2.385 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001446132699 1092181485 /nfs/dbraw/zinc/18/14/85/1092181485.db2.gz ZSOWHOUHIRSUHU-HZPDHXFCSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001446132699 1092181491 /nfs/dbraw/zinc/18/14/91/1092181491.db2.gz ZSOWHOUHIRSUHU-HZPDHXFCSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001446132699 1092181496 /nfs/dbraw/zinc/18/14/96/1092181496.db2.gz ZSOWHOUHIRSUHU-HZPDHXFCSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C(C)C)oc1C[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001446132699 1092181498 /nfs/dbraw/zinc/18/14/98/1092181498.db2.gz ZSOWHOUHIRSUHU-HZPDHXFCSA-N 2 2 348.491 2.139 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)oc1C ZINC001446269493 1092416393 /nfs/dbraw/zinc/41/63/93/1092416393.db2.gz XUHRCFLOBASKMX-CVEARBPZSA-N 2 2 348.491 2.150 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001439555509 1092431207 /nfs/dbraw/zinc/43/12/07/1092431207.db2.gz DMBCFIWPTBHNMU-CVEARBPZSA-N 2 2 348.491 2.012 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC001439555509 1092431210 /nfs/dbraw/zinc/43/12/10/1092431210.db2.gz DMBCFIWPTBHNMU-CVEARBPZSA-N 2 2 348.491 2.012 10 0 EEAELP Cc1nc(C)c(C[N@H+]2CC[C@](C)(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001439850913 1092867059 /nfs/dbraw/zinc/86/70/59/1092867059.db2.gz NJNARDRCDAFWTL-ACJLOTCBSA-N 2 2 345.447 2.220 10 0 EEAELP Cc1nc(C)c(C[N@@H+]2CC[C@](C)(NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)o1 ZINC001439850913 1092867069 /nfs/dbraw/zinc/86/70/69/1092867069.db2.gz NJNARDRCDAFWTL-ACJLOTCBSA-N 2 2 345.447 2.220 10 0 EEAELP CC[C@@H](C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001439975763 1093093777 /nfs/dbraw/zinc/09/37/77/1093093777.db2.gz RXAXXYNCHXPMSV-CHWSQXEVSA-N 2 2 328.407 2.072 10 0 EEAELP CC[C@@H](C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001439975763 1093093790 /nfs/dbraw/zinc/09/37/90/1093093790.db2.gz RXAXXYNCHXPMSV-CHWSQXEVSA-N 2 2 328.407 2.072 10 0 EEAELP Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H](C)Cc3c[nH]c[nH+]3)CCC2)s1 ZINC001440339524 1093485025 /nfs/dbraw/zinc/48/50/25/1093485025.db2.gz NZASELBTIKRYAX-LBPRGKRZSA-N 2 2 347.488 2.182 10 0 EEAELP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](C/C(Cl)=C\Cl)C[C@]2(C)C1 ZINC001448489794 1093517893 /nfs/dbraw/zinc/51/78/93/1093517893.db2.gz RUXBSOOGPGKXIR-WVHJRZPWSA-N 2 2 348.318 2.428 10 0 EEAELP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@@H+](C/C(Cl)=C\Cl)C[C@]2(C)C1 ZINC001448489794 1093517901 /nfs/dbraw/zinc/51/79/01/1093517901.db2.gz RUXBSOOGPGKXIR-WVHJRZPWSA-N 2 2 348.318 2.428 10 0 EEAELP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001448516197 1093543833 /nfs/dbraw/zinc/54/38/33/1093543833.db2.gz YNNULKRLZJPSHQ-ULQDDVLXSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc2nccs2)c[nH+]1 ZINC001448675051 1093741589 /nfs/dbraw/zinc/74/15/89/1093741589.db2.gz DDAROBDQCDGCCB-LBPRGKRZSA-N 2 2 335.477 2.020 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCc1cccs1 ZINC001440663865 1093931426 /nfs/dbraw/zinc/93/14/26/1093931426.db2.gz AWWQNBDVONWPSR-LSDHHAIUSA-N 2 2 346.500 2.234 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001440840679 1094094965 /nfs/dbraw/zinc/09/49/65/1094094965.db2.gz MLIAUEIFWOWEHY-QUAUAXPMSA-N 2 2 326.444 2.159 10 0 EEAELP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001440935617 1094187586 /nfs/dbraw/zinc/18/75/86/1094187586.db2.gz AFWXKOXDPRNYNJ-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1cccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001440935617 1094187588 /nfs/dbraw/zinc/18/75/88/1094187588.db2.gz AFWXKOXDPRNYNJ-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@H+](C)Cc1cncs1 ZINC001440975281 1094234415 /nfs/dbraw/zinc/23/44/15/1094234415.db2.gz LYHHIUBBPGKCEO-ZDUSSCGKSA-N 2 2 335.477 2.100 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[N@@H+](C)Cc1cncs1 ZINC001440975281 1094234418 /nfs/dbraw/zinc/23/44/18/1094234418.db2.gz LYHHIUBBPGKCEO-ZDUSSCGKSA-N 2 2 335.477 2.100 10 0 EEAELP Cc1nc(C[NH+]2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)cs1 ZINC001441013297 1094289990 /nfs/dbraw/zinc/28/99/90/1094289990.db2.gz XAMIYCGDJZWGAP-UHFFFAOYSA-N 2 2 338.521 2.215 10 0 EEAELP Cc1nc(C[NH+]2CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC2)cs1 ZINC001441013297 1094290000 /nfs/dbraw/zinc/29/00/00/1094290000.db2.gz XAMIYCGDJZWGAP-UHFFFAOYSA-N 2 2 338.521 2.215 10 0 EEAELP CC1(C)CC(C[NH2+][C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C2CC2)C1 ZINC001441197487 1094556885 /nfs/dbraw/zinc/55/68/85/1094556885.db2.gz CBDOXVJLPWDMIW-IAGOWNOFSA-N 2 2 344.503 2.366 10 0 EEAELP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H](C)n3cc[nH+]c3)C2)s1 ZINC001441427862 1095022290 /nfs/dbraw/zinc/02/22/90/1095022290.db2.gz YWCIHHFBYDITLW-MRVWCRGKSA-N 2 2 333.461 2.036 10 0 EEAELP Cc1cccn2cc(CC(=O)N[C@H]3C[C@@H]([NH2+]CC[C@H](C)F)C3)[nH+]c12 ZINC001441520646 1095221971 /nfs/dbraw/zinc/22/19/71/1095221971.db2.gz FEDHNBYVXBPGHP-SOUVJXGZSA-N 2 2 332.423 2.170 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001441576155 1095364236 /nfs/dbraw/zinc/36/42/36/1095364236.db2.gz BTEBILODJIHSML-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001441576155 1095364249 /nfs/dbraw/zinc/36/42/49/1095364249.db2.gz BTEBILODJIHSML-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001441611122 1095470095 /nfs/dbraw/zinc/47/00/95/1095470095.db2.gz ASVNBXZQAMHGPO-UHJIQDEKSA-N 2 2 331.247 2.030 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[N@@H+](C)C[C@H]3CC(C)(C)CO3)ccn12 ZINC001442402579 1096723987 /nfs/dbraw/zinc/72/39/87/1096723987.db2.gz BIPBIGKBFWHAKG-MRXNPFEDSA-N 2 2 344.459 2.119 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCC[N@H+](C)C[C@H]3CC(C)(C)CO3)ccn12 ZINC001442402579 1096723993 /nfs/dbraw/zinc/72/39/93/1096723993.db2.gz BIPBIGKBFWHAKG-MRXNPFEDSA-N 2 2 344.459 2.119 10 0 EEAELP C[NH+](C)CCCC(=O)NCC[N@H+](C)Cc1cccc(F)c1Cl ZINC001442511182 1096862578 /nfs/dbraw/zinc/86/25/78/1096862578.db2.gz WKIOLZFAFMVUHK-UHFFFAOYSA-N 2 2 329.847 2.369 10 0 EEAELP C[NH+](C)CCCC(=O)NCC[N@@H+](C)Cc1cccc(F)c1Cl ZINC001442511182 1096862586 /nfs/dbraw/zinc/86/25/86/1096862586.db2.gz WKIOLZFAFMVUHK-UHFFFAOYSA-N 2 2 329.847 2.369 10 0 EEAELP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443829745 1098333532 /nfs/dbraw/zinc/33/35/32/1098333532.db2.gz YQVDYYTVHUQGPX-IRXDYDNUSA-N 2 2 341.459 2.271 10 0 EEAELP Cc1cccnc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001443829745 1098333538 /nfs/dbraw/zinc/33/35/38/1098333538.db2.gz YQVDYYTVHUQGPX-IRXDYDNUSA-N 2 2 341.459 2.271 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001443932036 1098452134 /nfs/dbraw/zinc/45/21/34/1098452134.db2.gz ASUJETUXKYGNIB-CABCVRRESA-N 2 2 336.480 2.267 10 0 EEAELP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]Cc1ncc(C(C)C)o1 ZINC001443932036 1098452136 /nfs/dbraw/zinc/45/21/36/1098452136.db2.gz ASUJETUXKYGNIB-CABCVRRESA-N 2 2 336.480 2.267 10 0 EEAELP CC[N@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@H]1CCOC1 ZINC001479843287 1099133569 /nfs/dbraw/zinc/13/35/69/1099133569.db2.gz BNLLHMIGTZDWDY-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP CC[N@@H+](CCCNC(=O)c1ccn2c(C)c[nH+]c2c1)C[C@H]1CCOC1 ZINC001479843287 1099133572 /nfs/dbraw/zinc/13/35/72/1099133572.db2.gz BNLLHMIGTZDWDY-MRXNPFEDSA-N 2 2 344.459 2.121 10 0 EEAELP Cc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001480209187 1099817317 /nfs/dbraw/zinc/81/73/17/1099817317.db2.gz FQHGMPDUYCUSIY-IXDOHACOSA-N 2 2 345.447 2.204 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001480395198 1100205208 /nfs/dbraw/zinc/20/52/08/1100205208.db2.gz RKVLYUXCYLOHTP-KLOPIOIDSA-N 2 2 330.476 2.381 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001480395198 1100205210 /nfs/dbraw/zinc/20/52/10/1100205210.db2.gz RKVLYUXCYLOHTP-KLOPIOIDSA-N 2 2 330.476 2.381 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001480395198 1100205214 /nfs/dbraw/zinc/20/52/14/1100205214.db2.gz RKVLYUXCYLOHTP-KLOPIOIDSA-N 2 2 330.476 2.381 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001480395198 1100205216 /nfs/dbraw/zinc/20/52/16/1100205216.db2.gz RKVLYUXCYLOHTP-KLOPIOIDSA-N 2 2 330.476 2.381 10 0 EEAELP CCc1cnc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)o1 ZINC001480548817 1100385236 /nfs/dbraw/zinc/38/52/36/1100385236.db2.gz OKEGXSJKUKCHLL-LSDHHAIUSA-N 2 2 336.480 2.096 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001480551989 1100388913 /nfs/dbraw/zinc/38/89/13/1100388913.db2.gz AYPGUPGAXXYPSQ-UONOGXRCSA-N 2 2 339.443 2.364 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001480551989 1100388924 /nfs/dbraw/zinc/38/89/24/1100388924.db2.gz AYPGUPGAXXYPSQ-UONOGXRCSA-N 2 2 339.443 2.364 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H](C[NH2+]C/C=C/Cl)C1CCCCC1 ZINC001496327285 1100922319 /nfs/dbraw/zinc/92/23/19/1100922319.db2.gz RUNTUJMJRROFGS-WHWKNOJMSA-N 2 2 338.883 2.370 10 0 EEAELP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001446696689 1101261400 /nfs/dbraw/zinc/26/14/00/1101261400.db2.gz LRYMQUPUVDBUNC-VQIMIIECSA-N 2 2 348.491 2.130 10 0 EEAELP C[C@]1(CNC(=O)Cc2[nH]cc[nH+]2)CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC001446696689 1101261406 /nfs/dbraw/zinc/26/14/06/1101261406.db2.gz LRYMQUPUVDBUNC-VQIMIIECSA-N 2 2 348.491 2.130 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001495680856 1101425568 /nfs/dbraw/zinc/42/55/68/1101425568.db2.gz DGJFEKCKDCFWRS-KBRIMQKVSA-N 2 2 342.443 2.064 10 0 EEAELP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001495680856 1101425574 /nfs/dbraw/zinc/42/55/74/1101425574.db2.gz DGJFEKCKDCFWRS-KBRIMQKVSA-N 2 2 342.443 2.064 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc2nc(C)oc2C)c[nH+]1 ZINC001495690692 1101442843 /nfs/dbraw/zinc/44/28/43/1101442843.db2.gz HKMDEMKDFMCMCA-LBPRGKRZSA-N 2 2 347.463 2.074 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)C[NH2+]Cc1ccsc1 ZINC001495695160 1101448924 /nfs/dbraw/zinc/44/89/24/1101448924.db2.gz YRZLDRZCYZDLKS-ZFWWWQNUSA-N 2 2 332.473 2.049 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)CC[NH+](C)Cc1nc2ccccc2o1 ZINC001496845396 1101589490 /nfs/dbraw/zinc/58/94/90/1101589490.db2.gz QIBHKZUSCSQIJV-UHFFFAOYSA-N 2 2 332.448 2.058 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)CC[N@H+](C)Cc1nc2ccccc2o1 ZINC001496845396 1101589496 /nfs/dbraw/zinc/58/94/96/1101589496.db2.gz QIBHKZUSCSQIJV-UHFFFAOYSA-N 2 2 332.448 2.058 10 0 EEAELP CC(C)[NH+](C)CC(=O)N(C)CC[N@@H+](C)Cc1nc2ccccc2o1 ZINC001496845396 1101589504 /nfs/dbraw/zinc/58/95/04/1101589504.db2.gz QIBHKZUSCSQIJV-UHFFFAOYSA-N 2 2 332.448 2.058 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC3(C2)CCN(C(=O)C[N@@H+](C)C(C)C)CC3)o1 ZINC001495981428 1101891647 /nfs/dbraw/zinc/89/16/47/1101891647.db2.gz WIEPRZNWSJQTHA-INIZCTEOSA-N 2 2 348.491 2.309 10 0 EEAELP Cc1cnc([C@H](C)[NH+]2CC3(C2)CCN(C(=O)C[N@H+](C)C(C)C)CC3)o1 ZINC001495981428 1101891669 /nfs/dbraw/zinc/89/16/69/1101891669.db2.gz WIEPRZNWSJQTHA-INIZCTEOSA-N 2 2 348.491 2.309 10 0 EEAELP Cc1ncoc1C[NH2+]C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1 ZINC001447165603 1102118134 /nfs/dbraw/zinc/11/81/34/1102118134.db2.gz LTUFBUCELLQKSH-MRXNPFEDSA-N 2 2 345.447 2.131 10 0 EEAELP Cc1nocc1C[NH2+]CC[C@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497216889 1102140580 /nfs/dbraw/zinc/14/05/80/1102140580.db2.gz SNDNFIWOXWYVOL-NSHDSACASA-N 2 2 327.388 2.158 10 0 EEAELP C[C@H](C[NH2+][C@@H]1CCc2c1cc(F)cc2F)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001496194337 1102200839 /nfs/dbraw/zinc/20/08/39/1102200839.db2.gz UAROAVSGCSGMNE-BDJLRTHQSA-N 2 2 348.397 2.354 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCC1([NH2+]CC[C@@H]2CCCC2(F)F)CCC1 ZINC001447238554 1102265769 /nfs/dbraw/zinc/26/57/69/1102265769.db2.gz BUGNVVUOABOVSY-ZDUSSCGKSA-N 2 2 340.418 2.406 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001497404555 1102438355 /nfs/dbraw/zinc/43/83/55/1102438355.db2.gz XQDJPDNHOMCEIK-HZPDHXFCSA-N 2 2 330.407 2.291 10 0 EEAELP CCN(CC[NH2+]Cc1cccc(F)c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001497404555 1102438360 /nfs/dbraw/zinc/43/83/60/1102438360.db2.gz XQDJPDNHOMCEIK-HZPDHXFCSA-N 2 2 330.407 2.291 10 0 EEAELP CCN(CC[NH2+]C[C@@H](OC)C1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497408712 1102445567 /nfs/dbraw/zinc/44/55/67/1102445567.db2.gz WSGWZSWOPSAZHJ-GOSISDBHSA-N 2 2 344.459 2.430 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001497414361 1102450934 /nfs/dbraw/zinc/45/09/34/1102450934.db2.gz GOZNFVFIFURTPF-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP CCN(CC[NH2+]Cc1ccccc1F)C(=O)CCc1[nH+]ccn1C ZINC001497427031 1102473182 /nfs/dbraw/zinc/47/31/82/1102473182.db2.gz GTHKMVSSQCGMEV-UHFFFAOYSA-N 2 2 332.423 2.130 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ncc(C3CC3)o2)CC[N@@H+]1C ZINC001497662552 1102851717 /nfs/dbraw/zinc/85/17/17/1102851717.db2.gz LJWYFFJRSRIISO-BVWQNDCPSA-N 2 2 346.475 2.044 10 0 EEAELP C[C@H]1C[C@@H](C(=O)NC/C=C/C[NH2+]Cc2ncc(C3CC3)o2)CC[N@H+]1C ZINC001497662552 1102851727 /nfs/dbraw/zinc/85/17/27/1102851727.db2.gz LJWYFFJRSRIISO-BVWQNDCPSA-N 2 2 346.475 2.044 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NC/C=C/C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001497713458 1102952665 /nfs/dbraw/zinc/95/26/65/1102952665.db2.gz HNVGEJQPWQVOPJ-QDLOVBKTSA-N 2 2 338.455 2.019 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C\C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001497764449 1103058385 /nfs/dbraw/zinc/05/83/85/1103058385.db2.gz JEPDNZYNZZQBTG-NLVOMGJBSA-N 2 2 344.846 2.486 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](C[C@@H](OC)C2CCC2)C1 ZINC001493966146 1103215142 /nfs/dbraw/zinc/21/51/42/1103215142.db2.gz AYGJUCJJAUUDGG-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CCCN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC001493966146 1103215152 /nfs/dbraw/zinc/21/51/52/1103215152.db2.gz AYGJUCJJAUUDGG-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2ccccn2)c[nH+]1 ZINC001447863063 1103469808 /nfs/dbraw/zinc/46/98/08/1103469808.db2.gz WSZYMUGSUHJXMA-HUUCEWRRSA-N 2 2 329.448 2.005 10 0 EEAELP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCn2cc[nH+]c2)cc1F ZINC001447890288 1103528146 /nfs/dbraw/zinc/52/81/46/1103528146.db2.gz UEXMWRFMMQLWHL-UONOGXRCSA-N 2 2 348.422 2.104 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@H+](C)CCC1CCCC1 ZINC001448043904 1103881109 /nfs/dbraw/zinc/88/11/09/1103881109.db2.gz IZXGLSUXKBSOIV-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CCC1CCCC1 ZINC001448043904 1103881122 /nfs/dbraw/zinc/88/11/22/1103881122.db2.gz IZXGLSUXKBSOIV-DOTOQJQBSA-N 2 2 332.492 2.462 10 0 EEAELP CCc1nocc1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494851693 1104454833 /nfs/dbraw/zinc/45/48/33/1104454833.db2.gz VICKJHUQDXSYQA-HOCLYGCPSA-N 2 2 345.447 2.118 10 0 EEAELP CCc1nocc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001494851693 1104454839 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2.430 10 0 EEAELP CC1(C)CC(C[NH2+]C[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C2CC2)C1 ZINC001498781370 1108090368 /nfs/dbraw/zinc/09/03/68/1108090368.db2.gz BLUNLNSTPQKYJV-WMZOPIPTSA-N 2 2 344.503 2.366 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1([NH2+]Cc2nocc2C)CC1 ZINC001499230686 1112190427 /nfs/dbraw/zinc/19/04/27/1112190427.db2.gz DELNLGCGSLGRGE-AWEZNQCLSA-N 2 2 345.447 2.132 10 0 EEAELP COCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001499481866 1112313315 /nfs/dbraw/zinc/31/33/15/1112313315.db2.gz QZSHDNIUKBIWCC-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001499481866 1112313325 /nfs/dbraw/zinc/31/33/25/1112313325.db2.gz QZSHDNIUKBIWCC-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP COCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001499481866 1112313330 /nfs/dbraw/zinc/31/33/30/1112313330.db2.gz QZSHDNIUKBIWCC-AEFFLSMTSA-N 2 2 348.491 2.082 10 0 EEAELP 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2.439 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1 ZINC001569271059 1125210369 /nfs/dbraw/zinc/21/03/69/1125210369.db2.gz SBFIXDWUUXVQAC-UHFFFAOYSA-N 2 2 343.475 2.348 10 0 EEAELP CCc1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000154780090 529721012 /nfs/dbraw/zinc/72/10/12/529721012.db2.gz AILOXPHQUZCTIV-INIZCTEOSA-N 2 2 347.503 2.127 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000155307660 539488810 /nfs/dbraw/zinc/48/88/10/539488810.db2.gz NKXALMGUBNLCDK-HKUYNNGSSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000155307660 539488811 /nfs/dbraw/zinc/48/88/11/539488811.db2.gz NKXALMGUBNLCDK-HKUYNNGSSA-N 2 2 331.504 2.350 10 0 EEAELP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1c[nH+]ccc1N ZINC000422705879 240184060 /nfs/dbraw/zinc/18/40/60/240184060.db2.gz CVDUYPRCJNSEGL-INIZCTEOSA-N 3 2 339.487 2.092 10 0 EEAELP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1c[nH+]ccc1N ZINC000422705879 240184067 /nfs/dbraw/zinc/18/40/67/240184067.db2.gz CVDUYPRCJNSEGL-INIZCTEOSA-N 3 2 339.487 2.092 10 0 EEAELP c1ccc(C[NH+]2CCC([NH2+][C@@H](C3CC3)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000422732106 240198206 /nfs/dbraw/zinc/19/82/06/240198206.db2.gz OWAFCWXLYQXFPL-UXHICEINSA-N 3 2 329.488 2.008 10 0 EEAELP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000423064201 240348723 /nfs/dbraw/zinc/34/87/23/240348723.db2.gz YLMWUNYNXLAQKM-GDBMZVCRSA-N 2 2 337.895 2.055 10 0 EEAELP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000425362435 241141335 /nfs/dbraw/zinc/14/13/35/241141335.db2.gz UYUYBWDYHVYAPX-SJLPKXTDSA-N 2 2 336.501 2.381 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+](C)CC(C)(C)CO ZINC000451259903 243052279 /nfs/dbraw/zinc/05/22/79/243052279.db2.gz YPBPGRXYAGTVRE-CYBMUJFWSA-N 2 2 330.432 2.354 10 0 EEAELP C[C@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+](C)CC(C)(C)CO ZINC000451259903 243052282 /nfs/dbraw/zinc/05/22/82/243052282.db2.gz YPBPGRXYAGTVRE-CYBMUJFWSA-N 2 2 330.432 2.354 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)OCCCO2 ZINC000449398694 296129112 /nfs/dbraw/zinc/12/91/12/296129112.db2.gz VYUUBCNLMAJZIC-WBVHZDCISA-N 2 2 334.460 2.345 10 0 EEAELP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)OCCCO2 ZINC000449398694 296129116 /nfs/dbraw/zinc/12/91/16/296129116.db2.gz VYUUBCNLMAJZIC-WBVHZDCISA-N 2 2 334.460 2.345 10 0 EEAELP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2cnc3ccsc3c2)CC1 ZINC000093047022 218189166 /nfs/dbraw/zinc/18/91/66/218189166.db2.gz XZKUCFQICJGOGB-UHFFFAOYSA-N 2 2 344.484 2.036 10 0 EEAELP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000112200881 220259695 /nfs/dbraw/zinc/25/96/95/220259695.db2.gz DGHNEKRCBXSMKI-INIZCTEOSA-N 2 2 334.460 2.248 10 0 EEAELP COc1ccc(OC)c(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000112200881 220259696 /nfs/dbraw/zinc/25/96/96/220259696.db2.gz DGHNEKRCBXSMKI-INIZCTEOSA-N 2 2 334.460 2.248 10 0 EEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000195248610 256008698 /nfs/dbraw/zinc/00/86/98/256008698.db2.gz YMTRQLJJIZZODA-AAEUAGOBSA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)C(F)(F)F)C1 ZINC000195248610 256008699 /nfs/dbraw/zinc/00/86/99/256008699.db2.gz YMTRQLJJIZZODA-AAEUAGOBSA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)C(F)(F)F)C1 ZINC000195248610 256008700 /nfs/dbraw/zinc/00/87/00/256008700.db2.gz YMTRQLJJIZZODA-AAEUAGOBSA-N 2 2 337.411 2.128 10 0 EEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000195248610 256008701 /nfs/dbraw/zinc/00/87/01/256008701.db2.gz YMTRQLJJIZZODA-AAEUAGOBSA-N 2 2 337.411 2.128 10 0 EEAELP CC(=O)c1cccc(OC[C@@H](O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000267502833 256064927 /nfs/dbraw/zinc/06/49/27/256064927.db2.gz VAKWZUBIFOYEHY-KRWDZBQOSA-N 2 2 343.427 2.232 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000273092829 256264658 /nfs/dbraw/zinc/26/46/58/256264658.db2.gz NAKCUVPGLDMOIX-INIZCTEOSA-N 2 2 346.500 2.448 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000273092829 256264660 /nfs/dbraw/zinc/26/46/60/256264660.db2.gz NAKCUVPGLDMOIX-INIZCTEOSA-N 2 2 346.500 2.448 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)CS(C)(=O)=O)c(C)c1 ZINC000341880968 292256609 /nfs/dbraw/zinc/25/66/09/292256609.db2.gz QHBRLVKUTHEUDA-RDJZCZTQSA-N 2 2 335.473 2.264 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000263003099 152354514 /nfs/dbraw/zinc/35/45/14/152354514.db2.gz OYACLHAXFVSZMI-BMFZPTHFSA-N 2 2 337.414 2.153 10 0 EEAELP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Cn1cc[nH+]c1 ZINC000122186607 292270806 /nfs/dbraw/zinc/27/08/06/292270806.db2.gz RBFYUWULXIPBJP-HZPDHXFCSA-N 2 2 326.444 2.156 10 0 EEAELP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357725159 153308439 /nfs/dbraw/zinc/30/84/39/153308439.db2.gz DMZRQGLTVVLSRR-GFCCVEGCSA-N 2 2 349.401 2.365 10 0 EEAELP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000357725159 153308442 /nfs/dbraw/zinc/30/84/42/153308442.db2.gz DMZRQGLTVVLSRR-GFCCVEGCSA-N 2 2 349.401 2.365 10 0 EEAELP O=C(NC1CC([NH+]2CCCCC2)C1)C1CC[NH+](CC(F)F)CC1 ZINC000377268291 154113858 /nfs/dbraw/zinc/11/38/58/154113858.db2.gz XWWBGTCFGDIKOB-UHFFFAOYSA-N 2 2 329.435 2.097 10 0 EEAELP CCC(CC)[C@@H](CNC(=O)[C@H]1CCCn2cc[nH+]c21)[NH+]1CCOCC1 ZINC000081535998 159154700 /nfs/dbraw/zinc/15/47/00/159154700.db2.gz WDHJHROQHCGSQJ-DLBZAZTESA-N 2 2 348.491 2.014 10 0 EEAELP CCN(C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)[C@H](C)c1ccc(F)cc1 ZINC000193647071 160184278 /nfs/dbraw/zinc/18/42/78/160184278.db2.gz FWHOFWQQEHKPQS-OIISXLGYSA-N 2 2 333.451 2.229 10 0 EEAELP CCN(C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)[C@H](C)c1ccc(F)cc1 ZINC000193647071 160184280 /nfs/dbraw/zinc/18/42/80/160184280.db2.gz FWHOFWQQEHKPQS-OIISXLGYSA-N 2 2 333.451 2.229 10 0 EEAELP CCN(C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)[C@H](C)c1ccc(F)cc1 ZINC000193647071 160184282 /nfs/dbraw/zinc/18/42/82/160184282.db2.gz FWHOFWQQEHKPQS-OIISXLGYSA-N 2 2 333.451 2.229 10 0 EEAELP CCN(C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)[C@H](C)c1ccc(F)cc1 ZINC000193647071 160184283 /nfs/dbraw/zinc/18/42/83/160184283.db2.gz FWHOFWQQEHKPQS-OIISXLGYSA-N 2 2 333.451 2.229 10 0 EEAELP C[C@H]1CC[C@@H](CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)O1 ZINC000245885215 160255854 /nfs/dbraw/zinc/25/58/54/160255854.db2.gz IMWCYAKIPPGOEI-FSGLHJGXSA-N 2 2 349.519 2.104 10 0 EEAELP C[C@H]1CC[C@@H](CCC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)O1 ZINC000245885215 160255855 /nfs/dbraw/zinc/25/58/55/160255855.db2.gz IMWCYAKIPPGOEI-FSGLHJGXSA-N 2 2 349.519 2.104 10 0 EEAELP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(-n4cc[nH+]c4)nc3)[C@H]2C1 ZINC000246235245 160269578 /nfs/dbraw/zinc/26/95/78/160269578.db2.gz FZJOPXKATWYDOS-IKGGRYGDSA-N 2 2 328.416 2.036 10 0 EEAELP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)nc3)[C@H]2C1 ZINC000246235245 160269580 /nfs/dbraw/zinc/26/95/80/160269580.db2.gz FZJOPXKATWYDOS-IKGGRYGDSA-N 2 2 328.416 2.036 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@@]3(F)CC[NH2+]C3)n2)C1 ZINC000246276183 160271356 /nfs/dbraw/zinc/27/13/56/160271356.db2.gz MFDVFVHRKQRALE-XHDPSFHLSA-N 2 2 326.441 2.015 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@@]3(F)CC[NH2+]C3)n2)C1 ZINC000246276183 160271359 /nfs/dbraw/zinc/27/13/59/160271359.db2.gz MFDVFVHRKQRALE-XHDPSFHLSA-N 2 2 326.441 2.015 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246572859 160284606 /nfs/dbraw/zinc/28/46/06/160284606.db2.gz DYJBFQPOTXPHIL-QFBILLFUSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246572859 160284607 /nfs/dbraw/zinc/28/46/07/160284607.db2.gz DYJBFQPOTXPHIL-QFBILLFUSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246572859 160284608 /nfs/dbraw/zinc/28/46/08/160284608.db2.gz DYJBFQPOTXPHIL-QFBILLFUSA-N 2 2 347.503 2.254 10 0 EEAELP CCOCc1ccccc1CNC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246572859 160284609 /nfs/dbraw/zinc/28/46/09/160284609.db2.gz DYJBFQPOTXPHIL-QFBILLFUSA-N 2 2 347.503 2.254 10 0 EEAELP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CC[NH+](CCC(F)(F)F)CC1 ZINC000342810343 161092526 /nfs/dbraw/zinc/09/25/26/161092526.db2.gz XRGJCKWPADAULO-ZIAGYGMSSA-N 2 2 340.430 2.151 10 0 EEAELP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000343893913 161178260 /nfs/dbraw/zinc/17/82/60/161178260.db2.gz JOTYQHHQAGKPSJ-OXQOHEQNSA-N 3 2 331.504 2.447 10 0 EEAELP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000343893913 161178261 /nfs/dbraw/zinc/17/82/61/161178261.db2.gz JOTYQHHQAGKPSJ-OXQOHEQNSA-N 3 2 331.504 2.447 10 0 EEAELP COCC[N@@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000344132060 161200791 /nfs/dbraw/zinc/20/07/91/161200791.db2.gz OIKBZXDGHHBMDZ-INIZCTEOSA-N 2 2 339.867 2.369 10 0 EEAELP COCC[N@H+]1CC[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000344132060 161200792 /nfs/dbraw/zinc/20/07/92/161200792.db2.gz OIKBZXDGHHBMDZ-INIZCTEOSA-N 2 2 339.867 2.369 10 0 EEAELP CCCN(CCC[NH+](C)C)C(=O)NCc1[nH+]ccn1CC(F)(F)F ZINC000344699084 161237136 /nfs/dbraw/zinc/23/71/36/161237136.db2.gz XTRBDBAQABUGRN-UHFFFAOYSA-N 2 2 349.401 2.319 10 0 EEAELP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000352478188 162150293 /nfs/dbraw/zinc/15/02/93/162150293.db2.gz UAPHWDSQOFLMAJ-LSDHHAIUSA-N 2 2 327.432 2.212 10 0 EEAELP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(-n3cc[nH+]c3)ccn2)C[C@@H]1C ZINC000352478188 162150295 /nfs/dbraw/zinc/15/02/95/162150295.db2.gz UAPHWDSQOFLMAJ-LSDHHAIUSA-N 2 2 327.432 2.212 10 0 EEAELP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC(c2c[nH+]c[nH]2)CC1 ZINC000364298361 165086717 /nfs/dbraw/zinc/08/67/17/165086717.db2.gz WHXPJZJCHNJMJZ-UHFFFAOYSA-N 2 2 331.464 2.173 10 0 EEAELP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364298361 165086723 /nfs/dbraw/zinc/08/67/23/165086723.db2.gz WHXPJZJCHNJMJZ-UHFFFAOYSA-N 2 2 331.464 2.173 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000369950399 166363694 /nfs/dbraw/zinc/36/36/94/166363694.db2.gz BNBFPBVEMNEJOI-QGZVFWFLSA-N 2 2 340.427 2.156 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)C1 ZINC000369950399 166363696 /nfs/dbraw/zinc/36/36/96/166363696.db2.gz BNBFPBVEMNEJOI-QGZVFWFLSA-N 2 2 340.427 2.156 10 0 EEAELP Cn1ncc2c1nc(NCCCCCCC[NH+]1CCCC1)[nH+]c2N ZINC000278407943 269229976 /nfs/dbraw/zinc/22/99/76/269229976.db2.gz NOPJIFWSXJNWLT-UHFFFAOYSA-N 2 2 331.468 2.404 10 0 EEAELP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000185881187 274209460 /nfs/dbraw/zinc/20/94/60/274209460.db2.gz MBRTYNBQMVQLSC-INIZCTEOSA-N 2 2 327.476 2.192 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292060649 275369824 /nfs/dbraw/zinc/36/98/24/275369824.db2.gz CLVBIIBVHKIUQQ-SYNHAJSKSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292060649 275369826 /nfs/dbraw/zinc/36/98/26/275369826.db2.gz CLVBIIBVHKIUQQ-SYNHAJSKSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292060649 275369829 /nfs/dbraw/zinc/36/98/29/275369829.db2.gz CLVBIIBVHKIUQQ-SYNHAJSKSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292060649 275369832 /nfs/dbraw/zinc/36/98/32/275369832.db2.gz CLVBIIBVHKIUQQ-SYNHAJSKSA-N 2 2 343.471 2.043 10 0 EEAELP C[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[N@H+](C)Cc1ccccc1 ZINC000377332144 278277638 /nfs/dbraw/zinc/27/76/38/278277638.db2.gz VORDTXDDMJKLDU-HOCLYGCPSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@@H](CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000377332144 278277640 /nfs/dbraw/zinc/27/76/40/278277640.db2.gz VORDTXDDMJKLDU-HOCLYGCPSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[N@H+](C)Cc1ccccc1 ZINC000377332144 278277642 /nfs/dbraw/zinc/27/76/42/278277642.db2.gz VORDTXDDMJKLDU-HOCLYGCPSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@@H](CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1)[N@@H+](C)Cc1ccccc1 ZINC000377332144 278277643 /nfs/dbraw/zinc/27/76/43/278277643.db2.gz VORDTXDDMJKLDU-HOCLYGCPSA-N 2 2 341.459 2.087 10 0 EEAELP CN(C)[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000422759786 289365330 /nfs/dbraw/zinc/36/53/30/289365330.db2.gz LMHVSEKBTJZAHT-KZNAEPCWSA-N 2 2 337.895 2.299 10 0 EEAELP COCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000293527283 293230468 /nfs/dbraw/zinc/23/04/68/293230468.db2.gz WORDXNBAFZBHCZ-WMZOPIPTSA-N 2 2 337.533 2.322 10 0 EEAELP COCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)C1 ZINC000293527283 293230472 /nfs/dbraw/zinc/23/04/72/293230472.db2.gz WORDXNBAFZBHCZ-WMZOPIPTSA-N 2 2 337.533 2.322 10 0 EEAELP COc1cc[nH+]cc1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000297589767 294288192 /nfs/dbraw/zinc/28/81/92/294288192.db2.gz CYOWLNMDVGAPTQ-INIZCTEOSA-N 2 2 332.448 2.250 10 0 EEAELP [NH3+]CC1(C(=O)Nc2ccc3c(c2)[nH+]c2n3CCCCC2)CCOCC1 ZINC000262204208 295221655 /nfs/dbraw/zinc/22/16/55/295221655.db2.gz IJVHJWLPHFROJE-UHFFFAOYSA-N 2 2 342.443 2.457 10 0 EEAELP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(C)on3)cn2)CC1 ZINC000340470062 312258276 /nfs/dbraw/zinc/25/82/76/312258276.db2.gz ZGRCJIDRGFYHIJ-OAHLLOKOSA-N 2 2 329.448 2.371 10 0 EEAELP COC[C@@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC[NH2+]1 ZINC000414949132 313113379 /nfs/dbraw/zinc/11/33/79/313113379.db2.gz YWKCGZUDKXAEOQ-AWEZNQCLSA-N 2 2 331.229 2.446 10 0 EEAELP CC1(CNC(=O)NCc2cn3cc(Cl)ccc3[nH+]2)CC[NH2+]CC1 ZINC000416940632 313367113 /nfs/dbraw/zinc/36/71/13/313367113.db2.gz PBHSCUXINPQPAZ-UHFFFAOYSA-N 2 2 335.839 2.177 10 0 EEAELP C[C@@H]1CCN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[C@@H]1C[NH3+] ZINC000416942405 313367967 /nfs/dbraw/zinc/36/79/67/313367967.db2.gz RZECFELTHNPYSC-NEPJUHHUSA-N 2 2 335.839 2.114 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417735679 313579800 /nfs/dbraw/zinc/57/98/00/313579800.db2.gz LRYOCAAVEGDDBD-UHFFFAOYSA-N 2 2 343.475 2.252 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CC1 ZINC000525813053 317079261 /nfs/dbraw/zinc/07/92/61/317079261.db2.gz YTLZWJFDBCTXLH-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP CCc1ccccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000527074661 317149451 /nfs/dbraw/zinc/14/94/51/317149451.db2.gz LNDDYXHIANABOT-UHFFFAOYSA-N 2 2 325.460 2.427 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H]2CCCN(C)C2=O)c(C)c1 ZINC000538705522 318042526 /nfs/dbraw/zinc/04/25/26/318042526.db2.gz QWKPWICYKUFUDH-MSOLQXFVSA-N 2 2 326.444 2.452 10 0 EEAELP CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3[nH+]ccn3C)C2=O)cn1 ZINC000543086125 318150607 /nfs/dbraw/zinc/15/06/07/318150607.db2.gz ARXOULYLWWHVTB-GDBMZVCRSA-N 2 2 344.463 2.039 10 0 EEAELP CC1=CC[N@H+](CCNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000546566976 318252771 /nfs/dbraw/zinc/25/27/71/318252771.db2.gz TXYXUHMUPBUCRJ-UHFFFAOYSA-N 2 2 343.475 2.133 10 0 EEAELP CC1=CC[N@@H+](CCNC(=O)NCc2ccc(N3CCCC3)[nH+]c2)CC1 ZINC000546566976 318252773 /nfs/dbraw/zinc/25/27/73/318252773.db2.gz TXYXUHMUPBUCRJ-UHFFFAOYSA-N 2 2 343.475 2.133 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000555515311 318593211 /nfs/dbraw/zinc/59/32/11/318593211.db2.gz YEZCCJDCKKOKKK-MRXNPFEDSA-N 2 2 328.416 2.377 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@@H]3CS(=O)(=O)c4ccccc43)c[nH+]c12 ZINC000560139857 318765891 /nfs/dbraw/zinc/76/58/91/318765891.db2.gz FCGQDQGOIPLLRF-CQSZACIVSA-N 2 2 341.436 2.303 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000564984775 319135529 /nfs/dbraw/zinc/13/55/29/319135529.db2.gz ATRNRDQWQGODNH-IBGZPJMESA-N 2 2 344.459 2.027 10 0 EEAELP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1C ZINC000564984775 319135532 /nfs/dbraw/zinc/13/55/32/319135532.db2.gz ATRNRDQWQGODNH-IBGZPJMESA-N 2 2 344.459 2.027 10 0 EEAELP CC[C@@]1(O)CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000565117674 319151047 /nfs/dbraw/zinc/15/10/47/319151047.db2.gz SLUTWHYJXOLJIE-SCLBCKFNSA-N 2 2 328.416 2.251 10 0 EEAELP CC[C@@]1(O)CC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]c[nH+]3)cc2)C1 ZINC000565117674 319151051 /nfs/dbraw/zinc/15/10/51/319151051.db2.gz SLUTWHYJXOLJIE-SCLBCKFNSA-N 2 2 328.416 2.251 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000565157059 319154072 /nfs/dbraw/zinc/15/40/72/319154072.db2.gz KZNMDZPTMBDXLL-QWHCGFSZSA-N 2 2 344.381 2.010 10 0 EEAELP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000565157059 319154074 /nfs/dbraw/zinc/15/40/74/319154074.db2.gz KZNMDZPTMBDXLL-QWHCGFSZSA-N 2 2 344.381 2.010 10 0 EEAELP Clc1ccc2nc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000566089234 319242665 /nfs/dbraw/zinc/24/26/65/319242665.db2.gz IVWYHIGXAIHWNT-BZUAXINKSA-N 2 2 334.851 2.234 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000574773468 320056737 /nfs/dbraw/zinc/05/67/37/320056737.db2.gz FURIMXHBJNGGCX-HUUCEWRRSA-N 2 2 333.480 2.355 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000574773468 320056738 /nfs/dbraw/zinc/05/67/38/320056738.db2.gz FURIMXHBJNGGCX-HUUCEWRRSA-N 2 2 333.480 2.355 10 0 EEAELP O=S1(=O)C[C@H](C[NH2+]C2CC[NH+](CC3CC3)CC2)c2ccccc21 ZINC000575748670 320110527 /nfs/dbraw/zinc/11/05/27/320110527.db2.gz SVPAUBAAZVKOFW-HNNXBMFYSA-N 2 2 334.485 2.022 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000576319301 320160126 /nfs/dbraw/zinc/16/01/26/320160126.db2.gz XYOGMSODKRASCB-UHFFFAOYSA-N 2 2 333.480 2.355 10 0 EEAELP [NH3+]CC1(O)CCN(c2[nH+]ccc3cc(Br)ccc32)CC1 ZINC000576731996 320199688 /nfs/dbraw/zinc/19/96/88/320199688.db2.gz RCCHRFUDKJDASL-UHFFFAOYSA-N 2 2 336.233 2.287 10 0 EEAELP Cn1c2ccccc2[nH+]c1NC[C@H]1C[N@H+](Cc2ccncc2)CCO1 ZINC000624706491 450956207 /nfs/dbraw/zinc/95/62/07/450956207.db2.gz MUSQNSIQUXVVSB-INIZCTEOSA-N 2 2 337.427 2.281 10 0 EEAELP Cn1c2ccccc2[nH+]c1NC[C@H]1C[N@@H+](Cc2ccncc2)CCO1 ZINC000624706491 450956212 /nfs/dbraw/zinc/95/62/12/450956212.db2.gz MUSQNSIQUXVVSB-INIZCTEOSA-N 2 2 337.427 2.281 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000177397114 465003965 /nfs/dbraw/zinc/00/39/65/465003965.db2.gz WXVYRBSHNJNQRI-IXDOHACOSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)[N@H+]1CCC[C@@H](C)C1 ZINC000177397114 465003970 /nfs/dbraw/zinc/00/39/70/465003970.db2.gz WXVYRBSHNJNQRI-IXDOHACOSA-N 2 2 333.480 2.178 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1 ZINC000177397841 465005070 /nfs/dbraw/zinc/00/50/70/465005070.db2.gz BKWRNAGPIHUATP-KZNAEPCWSA-N 2 2 347.507 2.425 10 0 EEAELP CS[C@H](C)CCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000358496678 465159098 /nfs/dbraw/zinc/15/90/98/465159098.db2.gz VVKURWVQLCCZEO-VPSFDDGASA-N 2 2 339.549 2.288 10 0 EEAELP CS[C@H](C)CCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000358496678 465159103 /nfs/dbraw/zinc/15/91/03/465159103.db2.gz VVKURWVQLCCZEO-VPSFDDGASA-N 2 2 339.549 2.288 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)c1cc(-n2cc[nH+]c2)ccn1)Cc1ccccc1 ZINC000351869235 465408843 /nfs/dbraw/zinc/40/88/43/465408843.db2.gz UCCNFEFNZFZRBW-GOSISDBHSA-N 2 2 349.438 2.170 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000127391306 462547951 /nfs/dbraw/zinc/54/79/51/462547951.db2.gz ZTSNUNZFPLIMNI-ZBFHGGJFSA-N 2 2 327.432 2.070 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3cc[nH+]c3)nc2)[C@H](C)C1 ZINC000127391306 462547954 /nfs/dbraw/zinc/54/79/54/462547954.db2.gz ZTSNUNZFPLIMNI-ZBFHGGJFSA-N 2 2 327.432 2.070 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000119063060 462870632 /nfs/dbraw/zinc/87/06/32/462870632.db2.gz AOYBHCQGVCSTPW-OFLPRAFFSA-N 2 2 333.480 2.178 10 0 EEAELP CC[C@H]1C[N@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCO1 ZINC000051736324 463046476 /nfs/dbraw/zinc/04/64/76/463046476.db2.gz UEXVJZAZXCKWNM-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP CC[C@H]1C[N@@H+](CC(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCO1 ZINC000051736324 463046483 /nfs/dbraw/zinc/04/64/83/463046483.db2.gz UEXVJZAZXCKWNM-HKUYNNGSSA-N 2 2 345.487 2.003 10 0 EEAELP c1cn(C2CCN(C3=[NH+]Cc4cnn(-c5ccccc5)c4N3)CC2)c[nH+]1 ZINC000078822847 463153986 /nfs/dbraw/zinc/15/39/86/463153986.db2.gz YIYMXMDAQXZTIQ-UHFFFAOYSA-N 2 2 347.426 2.497 10 0 EEAELP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000069454363 463250560 /nfs/dbraw/zinc/25/05/60/463250560.db2.gz ILFZPULPEXFMCK-KURKYZTESA-N 2 2 342.487 2.383 10 0 EEAELP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1CCCN(c2cccc[nH+]2)C1 ZINC000069454363 463250565 /nfs/dbraw/zinc/25/05/65/463250565.db2.gz ILFZPULPEXFMCK-KURKYZTESA-N 2 2 342.487 2.383 10 0 EEAELP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000136827566 463260291 /nfs/dbraw/zinc/26/02/91/463260291.db2.gz NKBSWACFRJGBMF-DLBZAZTESA-N 2 2 347.507 2.116 10 0 EEAELP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000136827566 463260297 /nfs/dbraw/zinc/26/02/97/463260297.db2.gz NKBSWACFRJGBMF-DLBZAZTESA-N 2 2 347.507 2.116 10 0 EEAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000138883913 463314893 /nfs/dbraw/zinc/31/48/93/463314893.db2.gz QDVUJHSBXVVHAB-QGZVFWFLSA-N 2 2 347.507 2.116 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC(c2ccccc2)=N1 ZINC000150778571 463426506 /nfs/dbraw/zinc/42/65/06/463426506.db2.gz NRPZZDABNMMWME-KRWDZBQOSA-N 2 2 340.471 2.041 10 0 EEAELP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CCC(c2ccccc2)=N1 ZINC000150778571 463426511 /nfs/dbraw/zinc/42/65/11/463426511.db2.gz NRPZZDABNMMWME-KRWDZBQOSA-N 2 2 340.471 2.041 10 0 EEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH]nc2C(C)(C)C)nc[nH+]1 ZINC000071877202 463452435 /nfs/dbraw/zinc/45/24/35/463452435.db2.gz WJUXDZOHCOJSKQ-AWEZNQCLSA-N 2 2 343.479 2.298 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NCC[N@H+]3CCCC[C@H]3C)cn2c1 ZINC000057224532 463468254 /nfs/dbraw/zinc/46/82/54/463468254.db2.gz ADFIRMDURLSFER-OAHLLOKOSA-N 2 2 329.448 2.316 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NCC[N@@H+]3CCCC[C@H]3C)cn2c1 ZINC000057224532 463468259 /nfs/dbraw/zinc/46/82/59/463468259.db2.gz ADFIRMDURLSFER-OAHLLOKOSA-N 2 2 329.448 2.316 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000072271561 463492421 /nfs/dbraw/zinc/49/24/21/463492421.db2.gz TWCCJUCWFKAUOH-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)c2nccs2)C1 ZINC000105897675 463493640 /nfs/dbraw/zinc/49/36/40/463493640.db2.gz JKHOERJTZCNKMO-ZDUSSCGKSA-N 2 2 333.461 2.202 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)c2nccs2)C1 ZINC000105897675 463493644 /nfs/dbraw/zinc/49/36/44/463493644.db2.gz JKHOERJTZCNKMO-ZDUSSCGKSA-N 2 2 333.461 2.202 10 0 EEAELP Cc1ccccc1CC(=O)N1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000125075048 463500191 /nfs/dbraw/zinc/50/01/91/463500191.db2.gz NOZVFYIUYQXCMO-LJQANCHMSA-N 2 2 329.488 2.166 10 0 EEAELP Cc1ccccc1CC(=O)N1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000125075048 463500196 /nfs/dbraw/zinc/50/01/96/463500196.db2.gz NOZVFYIUYQXCMO-LJQANCHMSA-N 2 2 329.488 2.166 10 0 EEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000151286476 463506981 /nfs/dbraw/zinc/50/69/81/463506981.db2.gz IFOOKFMWPOHXKO-RDJZCZTQSA-N 2 2 334.460 2.345 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1NC(C)=O ZINC000151318068 463511774 /nfs/dbraw/zinc/51/17/74/463511774.db2.gz FKLUZRIPGBMTJY-WMLDXEAASA-N 2 2 349.475 2.151 10 0 EEAELP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCC[NH+]1CCN(c2ncccn2)CC1 ZINC000348101179 465422429 /nfs/dbraw/zinc/42/24/29/465422429.db2.gz ICLUZUCAIMVTQX-IAGOWNOFSA-N 2 2 331.508 2.403 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000043036466 463614280 /nfs/dbraw/zinc/61/42/80/463614280.db2.gz OMOKMTBOIPBVJN-UHFFFAOYSA-N 2 2 333.480 2.259 10 0 EEAELP CC[NH+]1CCC(CCNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177564787 463737019 /nfs/dbraw/zinc/73/70/19/463737019.db2.gz ZARCJEPCQOFMIA-QGZVFWFLSA-N 2 2 333.480 2.179 10 0 EEAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000261877315 463886627 /nfs/dbraw/zinc/88/66/27/463886627.db2.gz DWHLDMSYJLAXMS-HBMCJLEFSA-N 3 2 343.515 2.398 10 0 EEAELP Cc1ccoc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261979162 463916535 /nfs/dbraw/zinc/91/65/35/463916535.db2.gz HGKBLQQCJBQPJR-AWEZNQCLSA-N 2 2 328.416 2.106 10 0 EEAELP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000262732590 464040401 /nfs/dbraw/zinc/04/04/01/464040401.db2.gz BSXWTVLQLPJFBZ-OAHLLOKOSA-N 2 2 341.402 2.343 10 0 EEAELP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1)c1ccccc1 ZINC000263202240 464062339 /nfs/dbraw/zinc/06/23/39/464062339.db2.gz JEPJGNUZWUKMHH-OCCSQVGLSA-N 2 2 325.403 2.229 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000179383316 464125201 /nfs/dbraw/zinc/12/52/01/464125201.db2.gz AXGXHWKXVHPJHC-IRXDYDNUSA-N 2 2 327.432 2.018 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000179383316 464125206 /nfs/dbraw/zinc/12/52/06/464125206.db2.gz AXGXHWKXVHPJHC-IRXDYDNUSA-N 2 2 327.432 2.018 10 0 EEAELP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)on1 ZINC000222198791 464128143 /nfs/dbraw/zinc/12/81/43/464128143.db2.gz ZKWSDPNFFIIGCI-KBPBESRZSA-N 2 2 329.404 2.139 10 0 EEAELP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)on1 ZINC000222198791 464128151 /nfs/dbraw/zinc/12/81/51/464128151.db2.gz ZKWSDPNFFIIGCI-KBPBESRZSA-N 2 2 329.404 2.139 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N1CC[N@@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000579714975 468400937 /nfs/dbraw/zinc/40/09/37/468400937.db2.gz JLBCRMRBKADRLH-BMGDILEWSA-N 2 2 332.492 2.186 10 0 EEAELP CC[C@@H]([NH3+])C(=O)N1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000579714975 468400940 /nfs/dbraw/zinc/40/09/40/468400940.db2.gz JLBCRMRBKADRLH-BMGDILEWSA-N 2 2 332.492 2.186 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000173663556 464304952 /nfs/dbraw/zinc/30/49/52/464304952.db2.gz OJAIZQPXEFBMCV-INIZCTEOSA-N 2 2 332.835 2.490 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478866 464589312 /nfs/dbraw/zinc/58/93/12/464589312.db2.gz HLTGTNOCTIEVFG-GOEBONIOSA-N 2 2 349.475 2.304 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478866 464589319 /nfs/dbraw/zinc/58/93/19/464589319.db2.gz HLTGTNOCTIEVFG-GOEBONIOSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478866 464589323 /nfs/dbraw/zinc/58/93/23/464589323.db2.gz HLTGTNOCTIEVFG-GOEBONIOSA-N 2 2 349.475 2.304 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000246478866 464589326 /nfs/dbraw/zinc/58/93/26/464589326.db2.gz HLTGTNOCTIEVFG-GOEBONIOSA-N 2 2 349.475 2.304 10 0 EEAELP Cc1nn(C)cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190469001 464652212 /nfs/dbraw/zinc/65/22/12/464652212.db2.gz LYMIFZZAZGDDFU-OAHLLOKOSA-N 2 2 333.505 2.447 10 0 EEAELP Cc1nn(C)cc1C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190469001 464652221 /nfs/dbraw/zinc/65/22/21/464652221.db2.gz LYMIFZZAZGDDFU-OAHLLOKOSA-N 2 2 333.505 2.447 10 0 EEAELP Cc1nn(C)cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190469001 464652230 /nfs/dbraw/zinc/65/22/30/464652230.db2.gz LYMIFZZAZGDDFU-OAHLLOKOSA-N 2 2 333.505 2.447 10 0 EEAELP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190469017 464652665 /nfs/dbraw/zinc/65/26/65/464652665.db2.gz LYMIFZZAZGDDFU-HNNXBMFYSA-N 2 2 333.505 2.447 10 0 EEAELP Cc1nn(C)cc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000190469017 464652672 /nfs/dbraw/zinc/65/26/72/464652672.db2.gz LYMIFZZAZGDDFU-HNNXBMFYSA-N 2 2 333.505 2.447 10 0 EEAELP Cc1nn(C)cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190469017 464652691 /nfs/dbraw/zinc/65/26/91/464652691.db2.gz LYMIFZZAZGDDFU-HNNXBMFYSA-N 2 2 333.505 2.447 10 0 EEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000247478300 464684074 /nfs/dbraw/zinc/68/40/74/464684074.db2.gz SKVHEKZVAARJFV-RDJZCZTQSA-N 2 2 343.475 2.060 10 0 EEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000247478300 464684077 /nfs/dbraw/zinc/68/40/77/464684077.db2.gz SKVHEKZVAARJFV-RDJZCZTQSA-N 2 2 343.475 2.060 10 0 EEAELP COC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(F)c(F)c1 ZINC000182567800 464684919 /nfs/dbraw/zinc/68/49/19/464684919.db2.gz FBQFWIUHKRJUAC-WMLDXEAASA-N 2 2 328.403 2.089 10 0 EEAELP Cc1ccccc1-c1nc(C[N@H+](C)CCCN2CC[NH+](C)CC2)no1 ZINC000182950568 464762994 /nfs/dbraw/zinc/76/29/94/464762994.db2.gz NXNXRAQQBNHXBW-UHFFFAOYSA-N 2 2 343.475 2.114 10 0 EEAELP Cc1ccccc1-c1nc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)no1 ZINC000182950568 464763000 /nfs/dbraw/zinc/76/30/00/464763000.db2.gz NXNXRAQQBNHXBW-UHFFFAOYSA-N 2 2 343.475 2.114 10 0 EEAELP CCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248647385 464779673 /nfs/dbraw/zinc/77/96/73/464779673.db2.gz IJIUYFGEKCJCPL-WMZOPIPTSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248647385 464779688 /nfs/dbraw/zinc/77/96/88/464779688.db2.gz IJIUYFGEKCJCPL-WMZOPIPTSA-N 2 2 332.492 2.140 10 0 EEAELP CCCCNC(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248647385 464779690 /nfs/dbraw/zinc/77/96/90/464779690.db2.gz IJIUYFGEKCJCPL-WMZOPIPTSA-N 2 2 332.492 2.140 10 0 EEAELP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183631109 464889455 /nfs/dbraw/zinc/88/94/55/464889455.db2.gz UINVCYHTDUYTKP-MRXNPFEDSA-N 2 2 332.835 2.270 10 0 EEAELP COC[C@@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000249854123 464920774 /nfs/dbraw/zinc/92/07/74/464920774.db2.gz PVLPNKUGOZXSRE-OALUTQOASA-N 2 2 346.519 2.198 10 0 EEAELP COC[C@@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000249854123 464920785 /nfs/dbraw/zinc/92/07/85/464920785.db2.gz PVLPNKUGOZXSRE-OALUTQOASA-N 2 2 346.519 2.198 10 0 EEAELP CN(C)c1ncc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282818422 464961202 /nfs/dbraw/zinc/96/12/02/464961202.db2.gz TYKGPKKLCRNMMB-MRXNPFEDSA-N 2 2 340.475 2.455 10 0 EEAELP CN(C)c1ncc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cn1 ZINC000282818422 464961205 /nfs/dbraw/zinc/96/12/05/464961205.db2.gz TYKGPKKLCRNMMB-MRXNPFEDSA-N 2 2 340.475 2.455 10 0 EEAELP COc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000252511822 464977050 /nfs/dbraw/zinc/97/70/50/464977050.db2.gz KZLPCNFGONHEPN-ULQDDVLXSA-N 2 2 343.471 2.407 10 0 EEAELP COc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000252511822 464977053 /nfs/dbraw/zinc/97/70/53/464977053.db2.gz KZLPCNFGONHEPN-ULQDDVLXSA-N 2 2 343.471 2.407 10 0 EEAELP Cc1nc(N2CC[NH+]([C@@H](C)c3ccsc3)CC2)nc(N(C)C)[nH+]1 ZINC000360874831 465619523 /nfs/dbraw/zinc/61/95/23/465619523.db2.gz BBKMTJKHHIAEJA-LBPRGKRZSA-N 2 2 332.477 2.191 10 0 EEAELP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361142195 465795264 /nfs/dbraw/zinc/79/52/64/465795264.db2.gz QONILSSCRGPTDS-DZGCQCFKSA-N 2 2 349.456 2.476 10 0 EEAELP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000361142195 465795275 /nfs/dbraw/zinc/79/52/75/465795275.db2.gz QONILSSCRGPTDS-DZGCQCFKSA-N 2 2 349.456 2.476 10 0 EEAELP CCc1cnc(CC[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)s1 ZINC000361435855 465994313 /nfs/dbraw/zinc/99/43/13/465994313.db2.gz PCNWWIGRGHMAPR-UHFFFAOYSA-N 2 2 339.505 2.255 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000361530935 466079466 /nfs/dbraw/zinc/07/94/66/466079466.db2.gz MXCXIYHYYNUBPM-UHFFFAOYSA-N 3 2 329.448 2.198 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000340477858 466113695 /nfs/dbraw/zinc/11/36/95/466113695.db2.gz YJUXABYZGZBNAF-RTBURBONSA-N 2 2 327.476 2.483 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000340477858 466113700 /nfs/dbraw/zinc/11/37/00/466113700.db2.gz YJUXABYZGZBNAF-RTBURBONSA-N 2 2 327.476 2.483 10 0 EEAELP Cc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1C ZINC000353745330 466114693 /nfs/dbraw/zinc/11/46/93/466114693.db2.gz JBIPXZPGVIOTFC-UHFFFAOYSA-N 2 2 325.460 2.482 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]CC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000340480860 466118958 /nfs/dbraw/zinc/11/89/58/466118958.db2.gz WILKYDSAKNDORZ-QGZVFWFLSA-N 2 2 349.523 2.460 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]CC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000340480860 466118962 /nfs/dbraw/zinc/11/89/62/466118962.db2.gz WILKYDSAKNDORZ-QGZVFWFLSA-N 2 2 349.523 2.460 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361670009 466191716 /nfs/dbraw/zinc/19/17/16/466191716.db2.gz GMFBIPOOLOVKLL-LSDHHAIUSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000361670009 466191723 /nfs/dbraw/zinc/19/17/23/466191723.db2.gz GMFBIPOOLOVKLL-LSDHHAIUSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000361670009 466191727 /nfs/dbraw/zinc/19/17/27/466191727.db2.gz GMFBIPOOLOVKLL-LSDHHAIUSA-N 2 2 349.441 2.449 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000361670009 466191732 /nfs/dbraw/zinc/19/17/32/466191732.db2.gz GMFBIPOOLOVKLL-LSDHHAIUSA-N 2 2 349.441 2.449 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000372263013 466256908 /nfs/dbraw/zinc/25/69/08/466256908.db2.gz YNHPEHLMDSBJHU-ZBFHGGJFSA-N 2 2 347.850 2.318 10 0 EEAELP Cn1cc[nH+]c1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000372263013 466256916 /nfs/dbraw/zinc/25/69/16/466256916.db2.gz YNHPEHLMDSBJHU-ZBFHGGJFSA-N 2 2 347.850 2.318 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000358067226 466427530 /nfs/dbraw/zinc/42/75/30/466427530.db2.gz XAKDEHLVIMBVLN-BEFAXECRSA-N 2 2 327.472 2.364 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000358067226 466427535 /nfs/dbraw/zinc/42/75/35/466427535.db2.gz XAKDEHLVIMBVLN-BEFAXECRSA-N 2 2 327.472 2.364 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367622864 466453341 /nfs/dbraw/zinc/45/33/41/466453341.db2.gz HQSTZYMLDPYEKT-HKBOAZHASA-N 3 2 343.515 2.481 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367622864 466453352 /nfs/dbraw/zinc/45/33/52/466453352.db2.gz HQSTZYMLDPYEKT-HKBOAZHASA-N 3 2 343.515 2.481 10 0 EEAELP C/C=C\c1ccc(OC[C@@H](O)C[NH+]2CCC([NH+](C)C)CC2)c(OC)c1 ZINC000338940528 466506248 /nfs/dbraw/zinc/50/62/48/466506248.db2.gz PKJCHUQUPWSZIA-XFHJGTJQSA-N 2 2 348.487 2.494 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(S(C)(=O)=O)CC1 ZINC000367706910 466508246 /nfs/dbraw/zinc/50/82/46/466508246.db2.gz KNDLWWSASGOPSR-CQSZACIVSA-N 2 2 328.522 2.339 10 0 EEAELP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000358166981 466509512 /nfs/dbraw/zinc/50/95/12/466509512.db2.gz PMDKFEJDRQXBKH-KRWDZBQOSA-N 2 2 347.507 2.342 10 0 EEAELP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCN(c2c[nH+]ccc2C)CC1 ZINC000358166981 466509516 /nfs/dbraw/zinc/50/95/16/466509516.db2.gz PMDKFEJDRQXBKH-KRWDZBQOSA-N 2 2 347.507 2.342 10 0 EEAELP Cc1csc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc(=O)n12 ZINC000321118112 466617604 /nfs/dbraw/zinc/61/76/04/466617604.db2.gz CCONOZRLHVMIEU-ZFWWWQNUSA-N 2 2 332.473 2.028 10 0 EEAELP Cc1csc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc(=O)n12 ZINC000321118112 466617608 /nfs/dbraw/zinc/61/76/08/466617608.db2.gz CCONOZRLHVMIEU-ZFWWWQNUSA-N 2 2 332.473 2.028 10 0 EEAELP c1n[nH]c2c1[C@@H]([NH2+]CCN1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000368608629 466687791 /nfs/dbraw/zinc/68/77/91/466687791.db2.gz QNUPRDWVWPLGCC-IBGZPJMESA-N 2 2 339.487 2.195 10 0 EEAELP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104015 466694481 /nfs/dbraw/zinc/69/44/81/466694481.db2.gz KXEHMWWFZWEBKJ-IAGOWNOFSA-N 2 2 329.444 2.348 10 0 EEAELP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1 ZINC000373104015 466694484 /nfs/dbraw/zinc/69/44/84/466694484.db2.gz KXEHMWWFZWEBKJ-IAGOWNOFSA-N 2 2 329.444 2.348 10 0 EEAELP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374794366 466745729 /nfs/dbraw/zinc/74/57/29/466745729.db2.gz AEQVGJKJNYSEMQ-NVXWUHKLSA-N 2 2 325.403 2.166 10 0 EEAELP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000374794366 466745730 /nfs/dbraw/zinc/74/57/30/466745730.db2.gz AEQVGJKJNYSEMQ-NVXWUHKLSA-N 2 2 325.403 2.166 10 0 EEAELP O=C1O[C@@H](C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC12CC2 ZINC000375696974 466865922 /nfs/dbraw/zinc/86/59/22/466865922.db2.gz KXBQPFSYVZXUSJ-GDBMZVCRSA-N 2 2 329.444 2.495 10 0 EEAELP O=C1O[C@@H](C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC12CC2 ZINC000375696974 466865924 /nfs/dbraw/zinc/86/59/24/466865924.db2.gz KXBQPFSYVZXUSJ-GDBMZVCRSA-N 2 2 329.444 2.495 10 0 EEAELP Cn1cc(-c2cc(C[N@@H+]3CCC[C@H](c4[nH+]ccn4C)C3)on2)cn1 ZINC000365639629 466891286 /nfs/dbraw/zinc/89/12/86/466891286.db2.gz REAYWJMNOYSQGM-ZDUSSCGKSA-N 2 2 326.404 2.188 10 0 EEAELP Cn1cc(-c2cc(C[N@H+]3CCC[C@H](c4[nH+]ccn4C)C3)on2)cn1 ZINC000365639629 466891290 /nfs/dbraw/zinc/89/12/90/466891290.db2.gz REAYWJMNOYSQGM-ZDUSSCGKSA-N 2 2 326.404 2.188 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N[C@H](C)CC[NH3+])c(C)c1 ZINC000417907587 466981778 /nfs/dbraw/zinc/98/17/78/466981778.db2.gz ABBGNIZJNIWYNI-NVXWUHKLSA-N 2 2 329.448 2.278 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417935996 466992671 /nfs/dbraw/zinc/99/26/71/466992671.db2.gz FHGMPXZRSRPARE-KBPBESRZSA-N 2 2 342.846 2.261 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417935996 466992675 /nfs/dbraw/zinc/99/26/75/466992675.db2.gz FHGMPXZRSRPARE-KBPBESRZSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945490 466997895 /nfs/dbraw/zinc/99/78/95/466997895.db2.gz QZPMTLNAABQHSW-VCTAVGKDSA-N 2 2 342.846 2.261 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945490 466997898 /nfs/dbraw/zinc/99/78/98/466997898.db2.gz QZPMTLNAABQHSW-VCTAVGKDSA-N 2 2 342.846 2.261 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1CNc1cc(NC2CC2)[nH+]cn1 ZINC000413034196 467158483 /nfs/dbraw/zinc/15/84/83/467158483.db2.gz NFKQXBUUVBYQSD-UHFFFAOYSA-N 2 2 339.443 2.495 10 0 EEAELP c1cc(C[NH+]2CCOCC2)ccc1CNc1cc(NC2CC2)nc[nH+]1 ZINC000413034196 467158484 /nfs/dbraw/zinc/15/84/84/467158484.db2.gz NFKQXBUUVBYQSD-UHFFFAOYSA-N 2 2 339.443 2.495 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428551083 467245496 /nfs/dbraw/zinc/24/54/96/467245496.db2.gz SCXSENWGVAEDQQ-DVOMOZLQSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428551083 467245502 /nfs/dbraw/zinc/24/55/02/467245502.db2.gz SCXSENWGVAEDQQ-DVOMOZLQSA-N 2 2 341.293 2.140 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429027475 467293578 /nfs/dbraw/zinc/29/35/78/467293578.db2.gz ZUEKOMKNXWZLFL-JXFKEZNVSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000429027475 467293582 /nfs/dbraw/zinc/29/35/82/467293582.db2.gz ZUEKOMKNXWZLFL-JXFKEZNVSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000429027475 467293586 /nfs/dbraw/zinc/29/35/86/467293586.db2.gz ZUEKOMKNXWZLFL-JXFKEZNVSA-N 2 2 329.488 2.454 10 0 EEAELP CCc1ccc([C@H](C)NC(=O)C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000429027475 467293589 /nfs/dbraw/zinc/29/35/89/467293589.db2.gz ZUEKOMKNXWZLFL-JXFKEZNVSA-N 2 2 329.488 2.454 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420373736 467383529 /nfs/dbraw/zinc/38/35/29/467383529.db2.gz NEMKQACSUSAWEH-MJGOQNOKSA-N 2 2 331.460 2.488 10 0 EEAELP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420373736 467383530 /nfs/dbraw/zinc/38/35/30/467383530.db2.gz NEMKQACSUSAWEH-MJGOQNOKSA-N 2 2 331.460 2.488 10 0 EEAELP O=C(C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000420376450 467385634 /nfs/dbraw/zinc/38/56/34/467385634.db2.gz PBRKMKGDLFFSCY-LJQANCHMSA-N 2 2 327.472 2.258 10 0 EEAELP O=C(C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC1(c2ccccc2)CCC1 ZINC000420376450 467385636 /nfs/dbraw/zinc/38/56/36/467385636.db2.gz PBRKMKGDLFFSCY-LJQANCHMSA-N 2 2 327.472 2.258 10 0 EEAELP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)COCc1ccco1 ZINC000390634279 467410343 /nfs/dbraw/zinc/41/03/43/467410343.db2.gz CFKRXILJQBYOOZ-MOPGFXCFSA-N 2 2 344.455 2.411 10 0 EEAELP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)COCc1ccco1 ZINC000390634279 467410348 /nfs/dbraw/zinc/41/03/48/467410348.db2.gz CFKRXILJQBYOOZ-MOPGFXCFSA-N 2 2 344.455 2.411 10 0 EEAELP CC1=C[C@H](C)C[N@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000430275880 467415723 /nfs/dbraw/zinc/41/57/23/467415723.db2.gz IQNYTKCBFJYSMX-HNNXBMFYSA-N 2 2 333.501 2.290 10 0 EEAELP CC1=C[C@H](C)C[N@@H+](CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C1 ZINC000430275880 467415727 /nfs/dbraw/zinc/41/57/27/467415727.db2.gz IQNYTKCBFJYSMX-HNNXBMFYSA-N 2 2 333.501 2.290 10 0 EEAELP C[C@@H]1C[N@H+](Cc2cc3c(cc2OC(F)F)OCO3)C[C@@]1(C)C[NH3+] ZINC000415059134 467478301 /nfs/dbraw/zinc/47/83/01/467478301.db2.gz XBMFTSQVVWVFFO-QLJPJBMISA-N 2 2 328.359 2.433 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2cc3c(cc2OC(F)F)OCO3)C[C@@]1(C)C[NH3+] ZINC000415059134 467478304 /nfs/dbraw/zinc/47/83/04/467478304.db2.gz XBMFTSQVVWVFFO-QLJPJBMISA-N 2 2 328.359 2.433 10 0 EEAELP C[C@@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[C@H](C)[N@H+]1C ZINC000454300727 467582638 /nfs/dbraw/zinc/58/26/38/467582638.db2.gz KGVLXWPFGPFGHJ-TXEJJXNPSA-N 2 2 335.839 2.222 10 0 EEAELP C[C@@H]1CN(C(=O)NCc2cn3cc(Cl)ccc3[nH+]2)C[C@H](C)[N@@H+]1C ZINC000454300727 467582639 /nfs/dbraw/zinc/58/26/39/467582639.db2.gz KGVLXWPFGPFGHJ-TXEJJXNPSA-N 2 2 335.839 2.222 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000457911949 467728813 /nfs/dbraw/zinc/72/88/13/467728813.db2.gz MROIRRJWZQXJTD-NVXWUHKLSA-N 2 2 343.475 2.436 10 0 EEAELP Cn1cc[nH+]c1[C@@H](NC(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000529291660 467841272 /nfs/dbraw/zinc/84/12/72/467841272.db2.gz QJUYXJKFNWWDOQ-HOTGVXAUSA-N 2 2 339.443 2.093 10 0 EEAELP C[C@H](CCNC(=O)NCCc1cn(C)c[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000458497297 467846459 /nfs/dbraw/zinc/84/64/59/467846459.db2.gz JRJLBBKNRKEUEU-MRXNPFEDSA-N 2 2 343.475 2.172 10 0 EEAELP C[C@H](CCNC(=O)NCCc1cn(C)c[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000458497297 467846462 /nfs/dbraw/zinc/84/64/62/467846462.db2.gz JRJLBBKNRKEUEU-MRXNPFEDSA-N 2 2 343.475 2.172 10 0 EEAELP CC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1 ZINC000450426074 467848724 /nfs/dbraw/zinc/84/87/24/467848724.db2.gz BZXSSLYFSMARDH-UHFFFAOYSA-N 2 2 339.443 2.067 10 0 EEAELP CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000517360823 468082747 /nfs/dbraw/zinc/08/27/47/468082747.db2.gz AZRLRJHMCNXWGS-CVEARBPZSA-N 2 2 329.444 2.351 10 0 EEAELP Cc1ncc(C[N@@H+](C)[C@H]2CCC[NH+](Cc3cnc(C)nc3)CC2)cn1 ZINC000549795507 468197889 /nfs/dbraw/zinc/19/78/89/468197889.db2.gz GLEUOFDTGNNAQM-IBGZPJMESA-N 2 2 340.475 2.370 10 0 EEAELP Cc1ncc(C[N@H+](C)[C@H]2CCC[NH+](Cc3cnc(C)nc3)CC2)cn1 ZINC000549795507 468197893 /nfs/dbraw/zinc/19/78/93/468197893.db2.gz GLEUOFDTGNNAQM-IBGZPJMESA-N 2 2 340.475 2.370 10 0 EEAELP Cc1ncc(C[NH+](C)[C@H]2CCC[N@H+](Cc3cnc(C)nc3)CC2)cn1 ZINC000549795507 468197898 /nfs/dbraw/zinc/19/78/98/468197898.db2.gz GLEUOFDTGNNAQM-IBGZPJMESA-N 2 2 340.475 2.370 10 0 EEAELP Cc1ncc(C[NH+](C)[C@H]2CCC[N@@H+](Cc3cnc(C)nc3)CC2)cn1 ZINC000549795507 468197906 /nfs/dbraw/zinc/19/79/06/468197906.db2.gz GLEUOFDTGNNAQM-IBGZPJMESA-N 2 2 340.475 2.370 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000567819996 468216729 /nfs/dbraw/zinc/21/67/29/468216729.db2.gz CTHNGKKCFRODFI-CZUORRHYSA-N 2 2 327.432 2.232 10 0 EEAELP CN1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000570331673 468623202 /nfs/dbraw/zinc/62/32/02/468623202.db2.gz KAOYRQDAHCAYDO-QZTJIDSGSA-N 2 2 327.472 2.394 10 0 EEAELP CN1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1=O ZINC000570331673 468623206 /nfs/dbraw/zinc/62/32/06/468623206.db2.gz KAOYRQDAHCAYDO-QZTJIDSGSA-N 2 2 327.472 2.394 10 0 EEAELP OCC[N@@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000562668915 469027936 /nfs/dbraw/zinc/02/79/36/469027936.db2.gz BHPRFQHDXNNYKG-QGZVFWFLSA-N 2 2 334.460 2.174 10 0 EEAELP OCC[N@H+]1CCCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000562668915 469027946 /nfs/dbraw/zinc/02/79/46/469027946.db2.gz BHPRFQHDXNNYKG-QGZVFWFLSA-N 2 2 334.460 2.174 10 0 EEAELP CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000573668804 469180842 /nfs/dbraw/zinc/18/08/42/469180842.db2.gz UDVCIDQMLCXPNV-OLZOCXBDSA-N 2 2 341.406 2.137 10 0 EEAELP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000573890986 469223665 /nfs/dbraw/zinc/22/36/65/469223665.db2.gz WFNDPCDGXVCMHH-KRWDZBQOSA-N 2 2 329.444 2.180 10 0 EEAELP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000573890986 469223667 /nfs/dbraw/zinc/22/36/67/469223667.db2.gz WFNDPCDGXVCMHH-KRWDZBQOSA-N 2 2 329.444 2.180 10 0 EEAELP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)nnn1-c1ccc(C)cc1 ZINC000629520574 469571955 /nfs/dbraw/zinc/57/19/55/469571955.db2.gz HEFYWQYDXWOXKH-AWEZNQCLSA-N 2 2 329.448 2.043 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000629605045 469590218 /nfs/dbraw/zinc/59/02/18/469590218.db2.gz YMCFLSZKOGKWPG-RTBURBONSA-N 2 2 346.471 2.235 10 0 EEAELP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000629605045 469590222 /nfs/dbraw/zinc/59/02/22/469590222.db2.gz YMCFLSZKOGKWPG-RTBURBONSA-N 2 2 346.471 2.235 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629603713 469590776 /nfs/dbraw/zinc/59/07/76/469590776.db2.gz NGVRNYSFDBIYMM-ROUUACIJSA-N 2 2 348.487 2.432 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629603713 469590779 /nfs/dbraw/zinc/59/07/79/469590779.db2.gz NGVRNYSFDBIYMM-ROUUACIJSA-N 2 2 348.487 2.432 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623398646 469642089 /nfs/dbraw/zinc/64/20/89/469642089.db2.gz LJBSMPASLDGXME-AWEZNQCLSA-N 2 2 327.419 2.231 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623398646 469642093 /nfs/dbraw/zinc/64/20/93/469642093.db2.gz LJBSMPASLDGXME-AWEZNQCLSA-N 2 2 327.419 2.231 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000607307887 469680716 /nfs/dbraw/zinc/68/07/16/469680716.db2.gz LSVNDCGQCRYXDE-QGZVFWFLSA-N 2 2 336.395 2.174 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000607307887 469680720 /nfs/dbraw/zinc/68/07/20/469680720.db2.gz LSVNDCGQCRYXDE-QGZVFWFLSA-N 2 2 336.395 2.174 10 0 EEAELP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000626979538 469775757 /nfs/dbraw/zinc/77/57/57/469775757.db2.gz CGCSOWLNGRVLNU-RRFJBIMHSA-N 2 2 340.418 2.007 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(-c2cscn2)c1 ZINC000617766636 469797915 /nfs/dbraw/zinc/79/79/15/469797915.db2.gz SLPSSJSUSKWBAK-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(-c2cscn2)c1 ZINC000617766636 469797921 /nfs/dbraw/zinc/79/79/21/469797921.db2.gz SLPSSJSUSKWBAK-UHFFFAOYSA-N 2 2 346.500 2.423 10 0 EEAELP Cc1nc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)c(Br)c(C)[nH+]1 ZINC000630385137 469830514 /nfs/dbraw/zinc/83/05/14/469830514.db2.gz BHCWVSFRACAZAR-VXGBXAGGSA-N 2 2 325.254 2.434 10 0 EEAELP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624086597 469836754 /nfs/dbraw/zinc/83/67/54/469836754.db2.gz NKBYHWNSPGYCPY-OKZBNKHCSA-N 2 2 345.487 2.162 10 0 EEAELP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624086597 469836758 /nfs/dbraw/zinc/83/67/58/469836758.db2.gz NKBYHWNSPGYCPY-OKZBNKHCSA-N 2 2 345.487 2.162 10 0 EEAELP c1ccc2c(c1)CN(c1cc[nH+]c(NCC[N@@H+]3CCCOCC3)n1)C2 ZINC000624145141 469856152 /nfs/dbraw/zinc/85/61/52/469856152.db2.gz LOLUZBXZAVWZLE-UHFFFAOYSA-N 2 2 339.443 2.131 10 0 EEAELP c1ccc2c(c1)CN(c1cc[nH+]c(NCC[N@H+]3CCCOCC3)n1)C2 ZINC000624145141 469856156 /nfs/dbraw/zinc/85/61/56/469856156.db2.gz LOLUZBXZAVWZLE-UHFFFAOYSA-N 2 2 339.443 2.131 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@@H+]1C ZINC000630765558 469984382 /nfs/dbraw/zinc/98/43/82/469984382.db2.gz UPOFDXAROZNISF-DLBZAZTESA-N 2 2 330.476 2.418 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[N@H+]1C ZINC000630765558 469984384 /nfs/dbraw/zinc/98/43/84/469984384.db2.gz UPOFDXAROZNISF-DLBZAZTESA-N 2 2 330.476 2.418 10 0 EEAELP COc1cncc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000625197492 470093810 /nfs/dbraw/zinc/09/38/10/470093810.db2.gz KAJNYLIUAGZHQC-QGZVFWFLSA-N 2 2 326.444 2.439 10 0 EEAELP COc1cncc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000625197492 470093812 /nfs/dbraw/zinc/09/38/12/470093812.db2.gz KAJNYLIUAGZHQC-QGZVFWFLSA-N 2 2 326.444 2.439 10 0 EEAELP COc1cncc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000625197492 470093814 /nfs/dbraw/zinc/09/38/14/470093814.db2.gz KAJNYLIUAGZHQC-QGZVFWFLSA-N 2 2 326.444 2.439 10 0 EEAELP COc1cncc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000625197492 470093816 /nfs/dbraw/zinc/09/38/16/470093816.db2.gz KAJNYLIUAGZHQC-QGZVFWFLSA-N 2 2 326.444 2.439 10 0 EEAELP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C(C)(C)c2c[nH]c[nH+]2)CC1 ZINC000621928121 470130961 /nfs/dbraw/zinc/13/09/61/470130961.db2.gz QDGJEFCEBVYYAS-CQSZACIVSA-N 2 2 341.459 2.424 10 0 EEAELP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631463792 470146661 /nfs/dbraw/zinc/14/66/61/470146661.db2.gz CRZCBJMERVTYJZ-CRAIPNDOSA-N 2 2 326.444 2.213 10 0 EEAELP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631463792 470146663 /nfs/dbraw/zinc/14/66/63/470146663.db2.gz CRZCBJMERVTYJZ-CRAIPNDOSA-N 2 2 326.444 2.213 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833092 470186293 /nfs/dbraw/zinc/18/62/93/470186293.db2.gz SIOQFGBAASJGGF-HRCADAONSA-N 2 2 333.476 2.464 10 0 EEAELP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833092 470186294 /nfs/dbraw/zinc/18/62/94/470186294.db2.gz SIOQFGBAASJGGF-HRCADAONSA-N 2 2 333.476 2.464 10 0 EEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC000631886534 470189419 /nfs/dbraw/zinc/18/94/19/470189419.db2.gz JZODONARWIIGKC-SWLSCSKDSA-N 2 2 337.851 2.361 10 0 EEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1Cl ZINC000631886534 470189420 /nfs/dbraw/zinc/18/94/20/470189420.db2.gz JZODONARWIIGKC-SWLSCSKDSA-N 2 2 337.851 2.361 10 0 EEAELP C[C@](O)(C[C@H](O)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)C1CC1 ZINC000634644320 470273915 /nfs/dbraw/zinc/27/39/15/470273915.db2.gz SKLUWAPKYSDOLB-YJBOKZPZSA-N 2 2 333.407 2.013 10 0 EEAELP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000633208773 470386820 /nfs/dbraw/zinc/38/68/20/470386820.db2.gz ZDKHFLLGSWYCLD-HXUWFJFHSA-N 2 2 338.455 2.359 10 0 EEAELP C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc(-n4cc[nH+]c4)cc3)C2)C1 ZINC000633208773 470386824 /nfs/dbraw/zinc/38/68/24/470386824.db2.gz ZDKHFLLGSWYCLD-HXUWFJFHSA-N 2 2 338.455 2.359 10 0 EEAELP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000643064082 470608159 /nfs/dbraw/zinc/60/81/59/470608159.db2.gz FLKDSQNXSLMNAK-LWJCUCHCSA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC1C2CC3CC(C2)CC1C3 ZINC000643064082 470608163 /nfs/dbraw/zinc/60/81/63/470608163.db2.gz FLKDSQNXSLMNAK-LWJCUCHCSA-N 2 2 345.531 2.391 10 0 EEAELP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000643250111 470640467 /nfs/dbraw/zinc/64/04/67/470640467.db2.gz NZXJWZCQNOCKFL-OAHLLOKOSA-N 2 2 333.480 2.030 10 0 EEAELP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000643250111 470640470 /nfs/dbraw/zinc/64/04/70/470640470.db2.gz NZXJWZCQNOCKFL-OAHLLOKOSA-N 2 2 333.480 2.030 10 0 EEAELP CCn1cc[nH+]c1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000649750465 470686453 /nfs/dbraw/zinc/68/64/53/470686453.db2.gz OQLNVWCOMANOEO-RBUKOAKNSA-N 2 2 340.471 2.378 10 0 EEAELP CCn1cc[nH+]c1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000649750465 470686456 /nfs/dbraw/zinc/68/64/56/470686456.db2.gz OQLNVWCOMANOEO-RBUKOAKNSA-N 2 2 340.471 2.378 10 0 EEAELP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000643440771 470699850 /nfs/dbraw/zinc/69/98/50/470699850.db2.gz PZKDUIPSHUCJQM-HUUCEWRRSA-N 2 2 331.460 2.089 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000644649630 471004707 /nfs/dbraw/zinc/00/47/07/471004707.db2.gz UPEMVNAWFMDNDR-OALUTQOASA-N 2 2 344.430 2.212 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1COc2ccc(F)cc2C1 ZINC000644649630 471004711 /nfs/dbraw/zinc/00/47/11/471004711.db2.gz UPEMVNAWFMDNDR-OALUTQOASA-N 2 2 344.430 2.212 10 0 EEAELP COc1cc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899149 471010511 /nfs/dbraw/zinc/01/05/11/471010511.db2.gz AVEYDSJYRDZYNR-KSSFIOAISA-N 2 2 347.459 2.106 10 0 EEAELP COc1cc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000647899149 471010512 /nfs/dbraw/zinc/01/05/12/471010512.db2.gz AVEYDSJYRDZYNR-KSSFIOAISA-N 2 2 347.459 2.106 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899422 471010644 /nfs/dbraw/zinc/01/06/44/471010644.db2.gz JTDBNIMQQPDRJA-PKOBYXMFSA-N 2 2 345.487 2.118 10 0 EEAELP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899422 471010646 /nfs/dbraw/zinc/01/06/46/471010646.db2.gz JTDBNIMQQPDRJA-PKOBYXMFSA-N 2 2 345.487 2.118 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899170 471010720 /nfs/dbraw/zinc/01/07/20/471010720.db2.gz BPCGVKWNWNERAY-HHXXYDBFSA-N 2 2 347.478 2.337 10 0 EEAELP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899170 471010722 /nfs/dbraw/zinc/01/07/22/471010722.db2.gz BPCGVKWNWNERAY-HHXXYDBFSA-N 2 2 347.478 2.337 10 0 EEAELP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000651865827 471149365 /nfs/dbraw/zinc/14/93/65/471149365.db2.gz JAXCNHOZYBAHGG-INIZCTEOSA-N 2 2 326.506 2.416 10 0 EEAELP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000651865827 471149370 /nfs/dbraw/zinc/14/93/70/471149370.db2.gz JAXCNHOZYBAHGG-INIZCTEOSA-N 2 2 326.506 2.416 10 0 EEAELP C[N@@H+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C2(CCCCC2)C1 ZINC000651419194 471165351 /nfs/dbraw/zinc/16/53/51/471165351.db2.gz UETRVJBXNKSDEX-UHFFFAOYSA-N 2 2 330.476 2.239 10 0 EEAELP C[N@H+]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C2(CCCCC2)C1 ZINC000651419194 471165356 /nfs/dbraw/zinc/16/53/56/471165356.db2.gz UETRVJBXNKSDEX-UHFFFAOYSA-N 2 2 330.476 2.239 10 0 EEAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658054627 471263573 /nfs/dbraw/zinc/26/35/73/471263573.db2.gz FOIMOVALZQWWTE-UKRRQHHQSA-N 2 2 339.505 2.118 10 0 EEAELP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000658054627 471263575 /nfs/dbraw/zinc/26/35/75/471263575.db2.gz FOIMOVALZQWWTE-UKRRQHHQSA-N 2 2 339.505 2.118 10 0 EEAELP C[C@H]1C[C@H](C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)C[C@@H](C)C1 ZINC000658128436 471268909 /nfs/dbraw/zinc/26/89/09/471268909.db2.gz VKVCXSPXQIVVDM-BWTSREIZSA-N 2 2 337.552 2.445 10 0 EEAELP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)C[C@@H](C)C1 ZINC000658128436 471268911 /nfs/dbraw/zinc/26/89/11/471268911.db2.gz VKVCXSPXQIVVDM-BWTSREIZSA-N 2 2 337.552 2.445 10 0 EEAELP CCO[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000652356128 471278349 /nfs/dbraw/zinc/27/83/49/471278349.db2.gz SQOLCHCMPBDTPR-UYAOXDASSA-N 2 2 341.455 2.456 10 0 EEAELP CCO[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000652356128 471278351 /nfs/dbraw/zinc/27/83/51/471278351.db2.gz SQOLCHCMPBDTPR-UYAOXDASSA-N 2 2 341.455 2.456 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357367 471278457 /nfs/dbraw/zinc/27/84/57/471278457.db2.gz LLWHKOJMRDXSQD-WTLGNFPFSA-N 2 2 347.503 2.110 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C)C(=O)N[C@H](C)c2ccc(CC)cc2)C[C@H]1C[NH3+] ZINC000652357367 471278460 /nfs/dbraw/zinc/27/84/60/471278460.db2.gz LLWHKOJMRDXSQD-WTLGNFPFSA-N 2 2 347.503 2.110 10 0 EEAELP CCO[C@@H]1C[N@@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C[C@H]1C[NH3+] ZINC000652358037 471278701 /nfs/dbraw/zinc/27/87/01/471278701.db2.gz ZWRDUNNOXKUQCU-GUDVDZBRSA-N 2 2 345.487 2.036 10 0 EEAELP CCO[C@@H]1C[N@H+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)C[C@H]1C[NH3+] ZINC000652358037 471278703 /nfs/dbraw/zinc/27/87/03/471278703.db2.gz ZWRDUNNOXKUQCU-GUDVDZBRSA-N 2 2 345.487 2.036 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1c(F)cc(F)cc1F ZINC000666215545 471319506 /nfs/dbraw/zinc/31/95/06/471319506.db2.gz LDLPNSWTTHVRHR-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1c(F)cc(F)cc1F ZINC000666215545 471319510 /nfs/dbraw/zinc/31/95/10/471319510.db2.gz LDLPNSWTTHVRHR-UHFFFAOYSA-N 2 2 332.370 2.109 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000660490337 471362965 /nfs/dbraw/zinc/36/29/65/471362965.db2.gz RBCXQTRQAKINKE-OLMNPRSZSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000660490337 471362971 /nfs/dbraw/zinc/36/29/71/471362971.db2.gz RBCXQTRQAKINKE-OLMNPRSZSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660490337 471362976 /nfs/dbraw/zinc/36/29/76/471362976.db2.gz RBCXQTRQAKINKE-OLMNPRSZSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660490337 471362981 /nfs/dbraw/zinc/36/29/81/471362981.db2.gz RBCXQTRQAKINKE-OLMNPRSZSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660490337 471362988 /nfs/dbraw/zinc/36/29/88/471362988.db2.gz RBCXQTRQAKINKE-OLMNPRSZSA-N 2 2 341.446 2.001 10 0 EEAELP CC(C)[NH+](C)C[C@H](O)CN[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000660490337 471362991 /nfs/dbraw/zinc/36/29/91/471362991.db2.gz RBCXQTRQAKINKE-OLMNPRSZSA-N 2 2 341.446 2.001 10 0 EEAELP c1cn2c(n1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000655684130 471442116 /nfs/dbraw/zinc/44/21/16/471442116.db2.gz XUCOYDMCUQIFGH-SFHVURJKSA-N 2 2 326.444 2.340 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCCc1ccc(Cl)s1 ZINC000663728809 471493981 /nfs/dbraw/zinc/49/39/81/471493981.db2.gz SWJRQXSCSLDTGS-UHFFFAOYSA-N 2 2 346.928 2.127 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCCc1ccc(Cl)s1 ZINC000663728809 471493987 /nfs/dbraw/zinc/49/39/87/471493987.db2.gz SWJRQXSCSLDTGS-UHFFFAOYSA-N 2 2 346.928 2.127 10 0 EEAELP CC[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000669547601 471545643 /nfs/dbraw/zinc/54/56/43/471545643.db2.gz JRZAXRYSDOKKFZ-CVEARBPZSA-N 2 2 340.418 2.009 10 0 EEAELP CC[NH2+]CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000669547601 471545647 /nfs/dbraw/zinc/54/56/47/471545647.db2.gz JRZAXRYSDOKKFZ-CVEARBPZSA-N 2 2 340.418 2.009 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)c2cc1OC ZINC000663972249 471595614 /nfs/dbraw/zinc/59/56/14/471595614.db2.gz SCPFOSUCDMPWJB-OKILXGFUSA-N 2 2 345.443 2.143 10 0 EEAELP COc1cc2cc[nH+]c(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)c2cc1OC ZINC000663972249 471595618 /nfs/dbraw/zinc/59/56/18/471595618.db2.gz SCPFOSUCDMPWJB-OKILXGFUSA-N 2 2 345.443 2.143 10 0 EEAELP C[C@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@@H]1C[N@H+](C)CCO1 ZINC000656149060 471607004 /nfs/dbraw/zinc/60/70/04/471607004.db2.gz SQDKRLDXQJLECG-GJZGRUSLSA-N 2 2 333.480 2.234 10 0 EEAELP C[C@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@@H]1C[N@@H+](C)CCO1 ZINC000656149060 471607013 /nfs/dbraw/zinc/60/70/13/471607013.db2.gz SQDKRLDXQJLECG-GJZGRUSLSA-N 2 2 333.480 2.234 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667250053 471708843 /nfs/dbraw/zinc/70/88/43/471708843.db2.gz GRQCKGLVIVAOLY-NVXWUHKLSA-N 2 2 341.459 2.049 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1)c1[nH+]ccn1C ZINC000667250053 471708848 /nfs/dbraw/zinc/70/88/48/471708848.db2.gz GRQCKGLVIVAOLY-NVXWUHKLSA-N 2 2 341.459 2.049 10 0 EEAELP C[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)[C@H]1O ZINC000661627948 471832361 /nfs/dbraw/zinc/83/23/61/471832361.db2.gz RSMHGVALQFMGCK-BWPNAZKDSA-N 2 2 332.488 2.226 10 0 EEAELP C[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)[C@H]1O ZINC000661627948 471832364 /nfs/dbraw/zinc/83/23/64/471832364.db2.gz RSMHGVALQFMGCK-BWPNAZKDSA-N 2 2 332.488 2.226 10 0 EEAELP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)[C@H]1O ZINC000661627948 471832368 /nfs/dbraw/zinc/83/23/68/471832368.db2.gz RSMHGVALQFMGCK-BWPNAZKDSA-N 2 2 332.488 2.226 10 0 EEAELP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)[C@H]1O ZINC000661627948 471832371 /nfs/dbraw/zinc/83/23/71/471832371.db2.gz RSMHGVALQFMGCK-BWPNAZKDSA-N 2 2 332.488 2.226 10 0 EEAELP Cc1[nH+]cc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)n1C ZINC000667952611 471960921 /nfs/dbraw/zinc/96/09/21/471960921.db2.gz BDGJKHPFSSWZGL-QGZVFWFLSA-N 2 2 330.476 2.343 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000662201524 472026052 /nfs/dbraw/zinc/02/60/52/472026052.db2.gz MPZPDEUMAVJZKX-WMZOPIPTSA-N 2 2 329.488 2.201 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000662201524 472026057 /nfs/dbraw/zinc/02/60/57/472026057.db2.gz MPZPDEUMAVJZKX-WMZOPIPTSA-N 2 2 329.488 2.201 10 0 EEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316101 472067197 /nfs/dbraw/zinc/06/71/97/472067197.db2.gz IHFLCEBVKTXGOI-WMZOPIPTSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662316101 472067202 /nfs/dbraw/zinc/06/72/02/472067202.db2.gz IHFLCEBVKTXGOI-WMZOPIPTSA-N 2 2 345.487 2.007 10 0 EEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317266 472067977 /nfs/dbraw/zinc/06/79/77/472067977.db2.gz NZVNWZXRQVRHEF-MJGOQNOKSA-N 2 2 347.503 2.249 10 0 EEAELP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317266 472067981 /nfs/dbraw/zinc/06/79/81/472067981.db2.gz NZVNWZXRQVRHEF-MJGOQNOKSA-N 2 2 347.503 2.249 10 0 EEAELP C[N@H+](Cc1cc(Br)cc2c1OCC2)CC1C[NH+](C)C1 ZINC000668540121 472165859 /nfs/dbraw/zinc/16/58/59/472165859.db2.gz WWZLCKSFRHNMIO-UHFFFAOYSA-N 2 2 325.250 2.377 10 0 EEAELP COCc1ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc1C(F)(F)F ZINC000662659870 472191704 /nfs/dbraw/zinc/19/17/04/472191704.db2.gz VYTWRFSWSZKXPP-ZDUSSCGKSA-N 2 2 333.354 2.069 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccnn2-c2ccccc2)CCO1 ZINC000668784800 472266637 /nfs/dbraw/zinc/26/66/37/472266637.db2.gz IISUOXIBXBAXSL-LJQANCHMSA-N 2 2 328.460 2.415 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccnn2-c2ccccc2)CCO1 ZINC000668784800 472266644 /nfs/dbraw/zinc/26/66/44/472266644.db2.gz IISUOXIBXBAXSL-LJQANCHMSA-N 2 2 328.460 2.415 10 0 EEAELP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)[N@@H+]1CCc2ccccc2C1 ZINC000684184668 485794601 /nfs/dbraw/zinc/79/46/01/485794601.db2.gz SZLWTJMVGREHQC-ATZDWAIDSA-N 2 2 345.462 2.078 10 0 EEAELP C[C@H](C(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1)[N@H+]1CCc2ccccc2C1 ZINC000684184668 485794607 /nfs/dbraw/zinc/79/46/07/485794607.db2.gz SZLWTJMVGREHQC-ATZDWAIDSA-N 2 2 345.462 2.078 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)Nc1cccc(OCC[NH+](C)C)c1)CC2 ZINC000679876906 485834475 /nfs/dbraw/zinc/83/44/75/485834475.db2.gz CIAMRXJSGSZNDK-UHFFFAOYSA-N 2 2 343.431 2.180 10 0 EEAELP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000672956915 486242404 /nfs/dbraw/zinc/24/24/04/486242404.db2.gz HBLZFNDMECIJOL-MRXNPFEDSA-N 2 2 326.444 2.086 10 0 EEAELP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)Cc1c[nH+]cn1C ZINC000672956915 486242409 /nfs/dbraw/zinc/24/24/09/486242409.db2.gz HBLZFNDMECIJOL-MRXNPFEDSA-N 2 2 326.444 2.086 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000682131682 486426472 /nfs/dbraw/zinc/42/64/72/486426472.db2.gz CBJOXGZMGJYVGM-AEFFLSMTSA-N 2 2 329.448 2.102 10 0 EEAELP COc1ccc([C@H](CCn2cncn2)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000682131682 486426475 /nfs/dbraw/zinc/42/64/75/486426475.db2.gz CBJOXGZMGJYVGM-AEFFLSMTSA-N 2 2 329.448 2.102 10 0 EEAELP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1([NH+]2CCSCC2)CCCCC1 ZINC000495081280 534969262 /nfs/dbraw/zinc/96/92/62/534969262.db2.gz GAIUHJRMENKYRL-HNNXBMFYSA-N 2 2 339.549 2.385 10 0 EEAELP O=C1CC2(CCCCC2)C(=O)N1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000738071968 576393746 /nfs/dbraw/zinc/39/37/46/576393746.db2.gz UQSAZKRYRBAOGC-UHFFFAOYSA-N 2 2 347.503 2.461 10 0 EEAELP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)C1 ZINC000775347792 577435617 /nfs/dbraw/zinc/43/56/17/577435617.db2.gz RVTCGUDBZVTODV-ZBFHGGJFSA-N 2 2 343.431 2.224 10 0 EEAELP CC[S@](=O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000765948816 577509794 /nfs/dbraw/zinc/50/97/94/577509794.db2.gz VOVXQANZUXPUPK-QFIPXVFZSA-N 2 2 326.481 2.191 10 0 EEAELP CCCCCC[C@H](C)NC(=O)C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000746450060 577927896 /nfs/dbraw/zinc/92/78/96/577927896.db2.gz IYLKTFVMGQHOIW-INIZCTEOSA-N 2 2 335.496 2.017 10 0 EEAELP COc1ccccc1N1CC[C@@H]([N@@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931310144 684949486 /nfs/dbraw/zinc/94/94/86/684949486.db2.gz IMYOICNYVODOSX-AHRSYUTCSA-N 2 2 343.471 2.074 10 0 EEAELP COc1ccccc1N1CC[C@@H]([N@H+]2C[C@@]3(C)C[NH+](C)C[C@@]3(C)C2)C1=O ZINC000931310144 684949490 /nfs/dbraw/zinc/94/94/90/684949490.db2.gz IMYOICNYVODOSX-AHRSYUTCSA-N 2 2 343.471 2.074 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH+]2C[C@@]3(C)C[N@H+](C)C[C@@]3(C)C2)C1=O ZINC000931310144 684949492 /nfs/dbraw/zinc/94/94/92/684949492.db2.gz IMYOICNYVODOSX-AHRSYUTCSA-N 2 2 343.471 2.074 10 0 EEAELP COc1ccccc1N1CC[C@@H]([NH+]2C[C@@]3(C)C[N@@H+](C)C[C@@]3(C)C2)C1=O ZINC000931310144 684949494 /nfs/dbraw/zinc/94/94/94/684949494.db2.gz IMYOICNYVODOSX-AHRSYUTCSA-N 2 2 343.471 2.074 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCc3c[nH]c[nH+]3)C2)cc1F ZINC001485685876 1191897311 /nfs/dbraw/zinc/89/73/11/1191897311.db2.gz YWTJILDOXWCIPK-JCNLHEQBSA-N 2 2 344.434 2.474 10 0 EEAELP Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CCc3c[nH+]c[nH]3)C2)cc1F ZINC001485685876 1191897313 /nfs/dbraw/zinc/89/73/13/1191897313.db2.gz YWTJILDOXWCIPK-JCNLHEQBSA-N 2 2 344.434 2.474 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC([N@H+](C)CCCCCF)CC1 ZINC001485766516 1191940134 /nfs/dbraw/zinc/94/01/34/1191940134.db2.gz DZSVTFWRFBTTBP-UHFFFAOYSA-N 2 2 338.471 2.415 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC([N@@H+](C)CCCCCF)CC1 ZINC001485766516 1191940136 /nfs/dbraw/zinc/94/01/36/1191940136.db2.gz DZSVTFWRFBTTBP-UHFFFAOYSA-N 2 2 338.471 2.415 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001670483922 1176827803 /nfs/dbraw/zinc/82/78/03/1176827803.db2.gz FKRLQILCJXDACE-SJLPKXTDSA-N 2 2 332.492 2.366 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001266871924 1177667186 /nfs/dbraw/zinc/66/71/86/1177667186.db2.gz HLPUIPHRAYPLDB-PUZFDUQFSA-N 2 2 336.867 2.169 10 0 EEAELP CC/C=C\CC[N@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001267213640 1178509964 /nfs/dbraw/zinc/50/99/64/1178509964.db2.gz SMKSQVRPVZSFFR-PYTPGESOSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[N@@H+](C)CCNC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC001267213640 1178509970 /nfs/dbraw/zinc/50/99/70/1178509970.db2.gz SMKSQVRPVZSFFR-PYTPGESOSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH+](C)CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001267213640 1178509979 /nfs/dbraw/zinc/50/99/79/1178509979.db2.gz SMKSQVRPVZSFFR-PYTPGESOSA-N 2 2 337.508 2.034 10 0 EEAELP CC/C=C\CC[NH+](C)CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001267213640 1178509984 /nfs/dbraw/zinc/50/99/84/1178509984.db2.gz SMKSQVRPVZSFFR-PYTPGESOSA-N 2 2 337.508 2.034 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CC(C)(C)CO1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001267391444 1178957802 /nfs/dbraw/zinc/95/78/02/1178957802.db2.gz WPATVUWKBSBWDU-AWEZNQCLSA-N 2 2 330.432 2.040 10 0 EEAELP CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1cc(F)ccc1F ZINC001481019251 1179507485 /nfs/dbraw/zinc/50/74/85/1179507485.db2.gz NATDKWRQBAPQRG-UHFFFAOYSA-N 2 2 327.419 2.243 10 0 EEAELP CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)Cc1cc(F)ccc1F ZINC001481019251 1179507490 /nfs/dbraw/zinc/50/74/90/1179507490.db2.gz NATDKWRQBAPQRG-UHFFFAOYSA-N 2 2 327.419 2.243 10 0 EEAELP CC[NH+](CCNC(=O)C[N@@H+](C)C(C)C)Cc1cc(F)ccc1F ZINC001481019251 1179507496 /nfs/dbraw/zinc/50/74/96/1179507496.db2.gz NATDKWRQBAPQRG-UHFFFAOYSA-N 2 2 327.419 2.243 10 0 EEAELP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001481249235 1180461641 /nfs/dbraw/zinc/46/16/41/1180461641.db2.gz AJVFFNFLNMIXNL-QGZVFWFLSA-N 2 2 340.471 2.311 10 0 EEAELP C[C@@](C[NH2+]Cc1ccnc(Cl)c1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001267863189 1180648269 /nfs/dbraw/zinc/64/82/69/1180648269.db2.gz ZPBQZJGGPODWOP-KRWDZBQOSA-N 2 2 347.850 2.075 10 0 EEAELP COCCC[NH2+]CCC1CCN(C(=O)c2cccc3[nH+]ccn32)CC1 ZINC001267912866 1180752056 /nfs/dbraw/zinc/75/20/56/1180752056.db2.gz UCSODDUGVPWUBE-UHFFFAOYSA-N 2 2 344.459 2.203 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCC(CC[NH2+]Cc2ccccc2)CC1 ZINC001267917796 1180760704 /nfs/dbraw/zinc/76/07/04/1180760704.db2.gz RBRLUIJNSMXLFV-UHFFFAOYSA-N 2 2 340.471 2.381 10 0 EEAELP COCC[NH2+][C@@H](CNC(=O)C(C)(C)n1c[nH+]c(C)c1)c1ccccc1 ZINC001481366119 1181135301 /nfs/dbraw/zinc/13/53/01/1181135301.db2.gz VRBBCCAJABRDTC-KRWDZBQOSA-N 2 2 344.459 2.020 10 0 EEAELP Cc1oncc1C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001481371270 1181144697 /nfs/dbraw/zinc/14/46/97/1181144697.db2.gz BWBAGOSHXXPXJH-GOSISDBHSA-N 2 2 342.443 2.026 10 0 EEAELP Cc1ccc(C)c(OCC[NH2+]C[C@@H](C)N(C)C(=O)Cc2c[nH+]c[nH]2)c1 ZINC001268087469 1181706392 /nfs/dbraw/zinc/70/63/92/1181706392.db2.gz VIMXFUXJCHXXCA-MRXNPFEDSA-N 2 2 344.459 2.085 10 0 EEAELP Cc1ccccc1C[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481605002 1181854822 /nfs/dbraw/zinc/85/48/22/1181854822.db2.gz SRIDLANQRZLJAE-IBGZPJMESA-N 2 2 329.488 2.416 10 0 EEAELP Cc1nc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cn2cc[nH+]c2)oc1C ZINC001268168416 1181916941 /nfs/dbraw/zinc/91/69/41/1181916941.db2.gz YENOMUUKKBTNMO-MRXNPFEDSA-N 2 2 345.447 2.049 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC=C(C)C ZINC001268275604 1182129763 /nfs/dbraw/zinc/12/97/63/1182129763.db2.gz AUTOTTXAZFSDEO-RDJZCZTQSA-N 2 2 331.460 2.473 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCc3c[nH+]cn3C2)cc1 ZINC001268376837 1182390687 /nfs/dbraw/zinc/39/06/87/1182390687.db2.gz DOJSVQFDCJPNDF-AEFFLSMTSA-N 2 2 340.471 2.439 10 0 EEAELP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1)C1CCC1 ZINC001481754198 1182554136 /nfs/dbraw/zinc/55/41/36/1182554136.db2.gz KDWVHQBLPPKMRS-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP CO[C@@H](C[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2)C1)C1CCC1 ZINC001481754198 1182554224 /nfs/dbraw/zinc/55/42/24/1182554224.db2.gz KDWVHQBLPPKMRS-ROUUACIJSA-N 2 2 348.491 2.011 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001482109502 1183339780 /nfs/dbraw/zinc/33/97/80/1183339780.db2.gz GATCGAZZOJGGAJ-HFBAOOFYSA-N 2 2 348.397 2.334 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001482109502 1183339786 /nfs/dbraw/zinc/33/97/86/1183339786.db2.gz GATCGAZZOJGGAJ-HFBAOOFYSA-N 2 2 348.397 2.334 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC/C=C\C[NH2+]CCc1ccccc1 ZINC001268592556 1183396665 /nfs/dbraw/zinc/39/66/65/1183396665.db2.gz HIFDOCGJPORSBH-OSFIAYCASA-N 2 2 338.455 2.028 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1 ZINC001268597785 1183496752 /nfs/dbraw/zinc/49/67/52/1183496752.db2.gz ATBXOYINWVBMAD-FAAWYNLUSA-N 2 2 330.476 2.431 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1 ZINC001268597785 1183496755 /nfs/dbraw/zinc/49/67/55/1183496755.db2.gz ATBXOYINWVBMAD-FAAWYNLUSA-N 2 2 330.476 2.431 10 0 EEAELP CN(CCC[NH2+]Cc1cnc(Cl)s1)C(=O)CCc1c[nH]c[nH+]1 ZINC001268794853 1183711503 /nfs/dbraw/zinc/71/15/03/1183711503.db2.gz ATKBVQUSFYZGFI-UHFFFAOYSA-N 2 2 341.868 2.091 10 0 EEAELP CN(CCC[NH2+]Cc1cnc(Cl)s1)C(=O)CCc1c[nH+]c[nH]1 ZINC001268794853 1183711506 /nfs/dbraw/zinc/71/15/06/1183711506.db2.gz ATKBVQUSFYZGFI-UHFFFAOYSA-N 2 2 341.868 2.091 10 0 EEAELP C[C@H](O)CCC[NH2+]C[C@](C)(NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001269622210 1184447754 /nfs/dbraw/zinc/44/77/54/1184447754.db2.gz DIABYKJMYPEFKQ-DJJJIMSYSA-N 2 2 344.459 2.212 10 0 EEAELP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CC=C(Cl)Cl)C2)CC1 ZINC001482244785 1184645733 /nfs/dbraw/zinc/64/57/33/1184645733.db2.gz HGSBHOUKUQSUTH-UHFFFAOYSA-N 2 2 334.291 2.182 10 0 EEAELP CC(C)=CC[NH+]1CC(N(C)C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001269849364 1184665660 /nfs/dbraw/zinc/66/56/60/1184665660.db2.gz PFWQHOHTTOLXGY-UHFFFAOYSA-N 2 2 329.488 2.270 10 0 EEAELP CC(C)=CC[NH+]1CC(N(C)C(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001269849364 1184665665 /nfs/dbraw/zinc/66/56/65/1184665665.db2.gz PFWQHOHTTOLXGY-UHFFFAOYSA-N 2 2 329.488 2.270 10 0 EEAELP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCC[C@@H]1CCOC1)c1c[nH+]c[nH]1 ZINC001270165884 1184894211 /nfs/dbraw/zinc/89/42/11/1184894211.db2.gz QZWNXJAIAVZDDA-HZPDHXFCSA-N 2 2 348.491 2.085 10 0 EEAELP C[C@@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001270737605 1185357338 /nfs/dbraw/zinc/35/73/38/1185357338.db2.gz PZLUWKTUSLPCNX-JMSVASOKSA-N 2 2 344.381 2.294 10 0 EEAELP C[C@@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001270737605 1185357342 /nfs/dbraw/zinc/35/73/42/1185357342.db2.gz PZLUWKTUSLPCNX-JMSVASOKSA-N 2 2 344.381 2.294 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1Cl)N(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001482349231 1185478082 /nfs/dbraw/zinc/47/80/82/1185478082.db2.gz SXXHCRLEDVKNFG-CYBMUJFWSA-N 2 2 334.851 2.285 10 0 EEAELP COc1ccc(C)cc1C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1)C(C)C ZINC001482571143 1186908675 /nfs/dbraw/zinc/90/86/75/1186908675.db2.gz JCBDRJXXSKQWDO-QGZVFWFLSA-N 2 2 344.459 2.131 10 0 EEAELP CN(CC[N@H+](C)Cc1nc2ccccc2o1)C(=O)C1(C[NH+](C)C)CC1 ZINC001482622920 1187448389 /nfs/dbraw/zinc/44/83/89/1187448389.db2.gz SNMBPPLCDNFCHI-UHFFFAOYSA-N 2 2 344.459 2.060 10 0 EEAELP CN(CC[N@@H+](C)Cc1nc2ccccc2o1)C(=O)C1(C[NH+](C)C)CC1 ZINC001482622920 1187448390 /nfs/dbraw/zinc/44/83/90/1187448390.db2.gz SNMBPPLCDNFCHI-UHFFFAOYSA-N 2 2 344.459 2.060 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]CCc1cccs1 ZINC001482697634 1187667754 /nfs/dbraw/zinc/66/77/54/1187667754.db2.gz YEKGHBWJOHXLLF-HIFRSBDPSA-N 2 2 332.473 2.131 10 0 EEAELP C[C@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001482844886 1187763875 /nfs/dbraw/zinc/76/38/75/1187763875.db2.gz HVHNXXYFUCDSBX-QJHSLEFKSA-N 2 2 345.274 2.249 10 0 EEAELP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccccc21 ZINC001485906569 1193635699 /nfs/dbraw/zinc/63/56/99/1193635699.db2.gz PJEDGGKKKQDURE-CRAIPNDOSA-N 2 2 326.444 2.397 10 0 EEAELP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001409579111 1190063797 /nfs/dbraw/zinc/06/37/97/1190063797.db2.gz KHBQSRYBOUYBDY-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001409579111 1190063801 /nfs/dbraw/zinc/06/38/01/1190063801.db2.gz KHBQSRYBOUYBDY-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001483273633 1190298500 /nfs/dbraw/zinc/29/85/00/1190298500.db2.gz ROLQJIOMYZBLNW-CVEARBPZSA-N 2 2 328.460 2.234 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001483273633 1190298503 /nfs/dbraw/zinc/29/85/03/1190298503.db2.gz ROLQJIOMYZBLNW-CVEARBPZSA-N 2 2 328.460 2.234 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483657891 1190721447 /nfs/dbraw/zinc/72/14/47/1190721447.db2.gz FBUBWHDYTCQSFQ-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@@H]1CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483657891 1190721448 /nfs/dbraw/zinc/72/14/48/1190721448.db2.gz FBUBWHDYTCQSFQ-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP COc1cccc([C@@H](C)[N@@H+]2CC[C@H]2CNC(=O)Cn2c[nH+]cc2C)c1 ZINC001483664242 1190724363 /nfs/dbraw/zinc/72/43/63/1190724363.db2.gz NKZGZATWOJHTIK-WBVHZDCISA-N 2 2 342.443 2.152 10 0 EEAELP COc1cccc([C@@H](C)[N@H+]2CC[C@H]2CNC(=O)Cn2c[nH+]cc2C)c1 ZINC001483664242 1190724364 /nfs/dbraw/zinc/72/43/64/1190724364.db2.gz NKZGZATWOJHTIK-WBVHZDCISA-N 2 2 342.443 2.152 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1Cc1cncs1 ZINC001483705453 1190784427 /nfs/dbraw/zinc/78/44/27/1190784427.db2.gz HKCYSEGWPQKMSO-OAHLLOKOSA-N 2 2 336.505 2.100 10 0 EEAELP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@H+]1Cc1cncs1 ZINC001483705453 1190784429 /nfs/dbraw/zinc/78/44/29/1190784429.db2.gz HKCYSEGWPQKMSO-OAHLLOKOSA-N 2 2 336.505 2.100 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001483706528 1190785993 /nfs/dbraw/zinc/78/59/93/1190785993.db2.gz ORZMWFFMAXHAFJ-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001483706528 1190785995 /nfs/dbraw/zinc/78/59/95/1190785995.db2.gz ORZMWFFMAXHAFJ-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)CCc2c[nH]c[nH+]2)CC1)c1cccc(F)c1 ZINC001483739318 1190887180 /nfs/dbraw/zinc/88/71/80/1190887180.db2.gz BGVFUXNLTPMKFS-CYBMUJFWSA-N 2 2 330.407 2.481 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)CCc2c[nH+]c[nH]2)CC1)c1cccc(F)c1 ZINC001483739318 1190887181 /nfs/dbraw/zinc/88/71/81/1190887181.db2.gz BGVFUXNLTPMKFS-CYBMUJFWSA-N 2 2 330.407 2.481 10 0 EEAELP Cc1cccn2cc(CC(=O)N3CC[C@@H](CC[NH2+]CCCF)C3)[nH+]c12 ZINC001272591331 1190906496 /nfs/dbraw/zinc/90/64/96/1190906496.db2.gz QVHXQASBDYJRHX-MRXNPFEDSA-N 2 2 346.450 2.373 10 0 EEAELP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]Cc3cscn3)CC2)C1 ZINC001483783282 1191036344 /nfs/dbraw/zinc/03/63/44/1191036344.db2.gz KVUXZBGFFWUZGO-HIFRSBDPSA-N 2 2 336.505 2.002 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CC[C@H]([NH2+]C/C=C/Cl)C[C@@H]1C ZINC001483906920 1191119854 /nfs/dbraw/zinc/11/98/54/1191119854.db2.gz ZLGQLMZIFVQOMV-YEZGLVMTSA-N 2 2 337.851 2.354 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001483947780 1191127345 /nfs/dbraw/zinc/12/73/45/1191127345.db2.gz WXIBJMFQJDQMTD-VQIMIIECSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001483947780 1191127346 /nfs/dbraw/zinc/12/73/46/1191127346.db2.gz WXIBJMFQJDQMTD-VQIMIIECSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001483947778 1191127468 /nfs/dbraw/zinc/12/74/68/1191127468.db2.gz WXIBJMFQJDQMTD-QFBILLFUSA-N 2 2 340.471 2.412 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001483947778 1191127470 /nfs/dbraw/zinc/12/74/70/1191127470.db2.gz WXIBJMFQJDQMTD-QFBILLFUSA-N 2 2 340.471 2.412 10 0 EEAELP Cc1ccc(C[NH+]2CCC(C)(NC(=O)Cn3cc[nH+]c3)CC2)c(C)n1 ZINC001483976911 1191138638 /nfs/dbraw/zinc/13/86/38/1191138638.db2.gz OYXOTUBTTAALNU-UHFFFAOYSA-N 2 2 341.459 2.066 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N(CC[NH2+]Cc1cccnc1)Cc1ccccc1 ZINC001484400663 1191335001 /nfs/dbraw/zinc/33/50/01/1191335001.db2.gz ZHLBODHCHJUEQI-UHFFFAOYSA-N 2 2 349.438 2.166 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001484826723 1191535688 /nfs/dbraw/zinc/53/56/88/1191535688.db2.gz CSCRJKBZRCWERO-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP CCOCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001484826723 1191535691 /nfs/dbraw/zinc/53/56/91/1191535691.db2.gz CSCRJKBZRCWERO-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001484826723 1191535693 /nfs/dbraw/zinc/53/56/93/1191535693.db2.gz CSCRJKBZRCWERO-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP CCOCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001484826723 1191535695 /nfs/dbraw/zinc/53/56/95/1191535695.db2.gz CSCRJKBZRCWERO-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP COCCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)CC1 ZINC001484927478 1191573711 /nfs/dbraw/zinc/57/37/11/1191573711.db2.gz SXDPKJIPHIENDK-UHFFFAOYSA-N 2 2 336.480 2.085 10 0 EEAELP COC[C@@H](C)[NH2+]CC1CC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001485096819 1191654367 /nfs/dbraw/zinc/65/43/67/1191654367.db2.gz AMUZWXDCHYQHFH-HPUBIQBYSA-N 2 2 342.443 2.005 10 0 EEAELP Cc1cccn2cc(CC(=O)NC3CC(C[NH2+]C/C=C/Cl)C3)[nH+]c12 ZINC001485105322 1191656080 /nfs/dbraw/zinc/65/60/80/1191656080.db2.gz SETPQXKCNJNRTJ-HWKANZROSA-N 2 2 346.862 2.422 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH]c[nH+]1)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485157473 1191673449 /nfs/dbraw/zinc/67/34/49/1191673449.db2.gz SRAGHUOMXKLRTA-VXGBXAGGSA-N 2 2 335.839 2.074 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]c[nH]1)[C@@H](C)[NH2+]Cc1ccc(Cl)nc1 ZINC001485157473 1191673450 /nfs/dbraw/zinc/67/34/50/1191673450.db2.gz SRAGHUOMXKLRTA-VXGBXAGGSA-N 2 2 335.839 2.074 10 0 EEAELP CC1CC(C[NH+]2CCC(C3(NC(=O)Cn4cc[nH+]c4)CC3)CC2)C1 ZINC001486490096 1194002287 /nfs/dbraw/zinc/00/22/87/1194002287.db2.gz GTNKGQBPAQGVJQ-UHFFFAOYSA-N 2 2 330.476 2.290 10 0 EEAELP COC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001486508541 1194025321 /nfs/dbraw/zinc/02/53/21/1194025321.db2.gz ABDQQWIPYXHBJE-AEFFLSMTSA-N 2 2 348.491 2.254 10 0 EEAELP COC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](CC(C)C)n2cc[nH+]c2)CC1 ZINC001486508541 1194025327 /nfs/dbraw/zinc/02/53/27/1194025327.db2.gz ABDQQWIPYXHBJE-AEFFLSMTSA-N 2 2 348.491 2.254 10 0 EEAELP C[N@H+](CCC[C@H]1CCOC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001410249993 1197633140 /nfs/dbraw/zinc/63/31/40/1197633140.db2.gz IVSSRUCBKLLJNJ-KRWDZBQOSA-N 2 2 348.491 2.013 10 0 EEAELP C[N@@H+](CCC[C@H]1CCOC1)C1CCN(C(=O)CCn2cc[nH+]c2)CC1 ZINC001410249993 1197633143 /nfs/dbraw/zinc/63/31/43/1197633143.db2.gz IVSSRUCBKLLJNJ-KRWDZBQOSA-N 2 2 348.491 2.013 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001410331561 1197714576 /nfs/dbraw/zinc/71/45/76/1197714576.db2.gz RPCCGFISSDZSEK-MLGOLLRUSA-N 2 2 347.488 2.072 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C[NH2+]Cc1ccns1)C1CC1 ZINC001410331570 1197714778 /nfs/dbraw/zinc/71/47/78/1197714778.db2.gz RPCCGFISSDZSEK-WBMJQRKESA-N 2 2 347.488 2.072 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001411235259 1198947153 /nfs/dbraw/zinc/94/71/53/1198947153.db2.gz MAQURUKMCSXWGJ-GFCCVEGCSA-N 2 2 340.418 2.214 10 0 EEAELP Cc1cnccc1/C=C/C(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000870664913 1200801242 /nfs/dbraw/zinc/80/12/42/1200801242.db2.gz DJMGXRKBULSYCR-ONEGZZNKSA-N 2 2 337.427 2.189 10 0 EEAELP C[C@@H](c1nnnn1-c1ccccc1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704533 1201585497 /nfs/dbraw/zinc/58/54/97/1201585497.db2.gz OKWBEDHLCFFMFD-KBXCAEBGSA-N 2 2 328.464 2.420 10 0 EEAELP C[C@@H](c1nnnn1-c1ccccc1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866704533 1201585498 /nfs/dbraw/zinc/58/54/98/1201585498.db2.gz OKWBEDHLCFFMFD-KBXCAEBGSA-N 2 2 328.464 2.420 10 0 EEAELP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC000881986266 1201798342 /nfs/dbraw/zinc/79/83/42/1201798342.db2.gz ZXGJKORRIANJLM-SFHVURJKSA-N 2 2 340.471 2.476 10 0 EEAELP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Cc1c[nH+]cn1C ZINC000881986266 1201798343 /nfs/dbraw/zinc/79/83/43/1201798343.db2.gz ZXGJKORRIANJLM-SFHVURJKSA-N 2 2 340.471 2.476 10 0 EEAELP C[C@@H]1C[C@H](C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001274124018 1204390118 /nfs/dbraw/zinc/39/01/18/1204390118.db2.gz BNLOAYAEKGUUJM-OKYAQOQYSA-N 2 2 342.443 2.254 10 0 EEAELP CC1(C)C[C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C[C@@H]([NH3+])C1 ZINC000925643603 1206138943 /nfs/dbraw/zinc/13/89/43/1206138943.db2.gz XHYFDOJBVVIPEY-KGLIPLIRSA-N 2 2 329.448 2.379 10 0 EEAELP C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)C1C[NH2+]C1 ZINC000925827268 1206157916 /nfs/dbraw/zinc/15/79/16/1206157916.db2.gz RAQCDSINCYECPL-DAXOMENPSA-N 2 2 327.394 2.247 10 0 EEAELP Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1OC(F)F ZINC000926037025 1206184607 /nfs/dbraw/zinc/18/46/07/1206184607.db2.gz VZOJFONWXGYEQD-UHFFFAOYSA-N 2 2 342.390 2.141 10 0 EEAELP C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931216621 1206616695 /nfs/dbraw/zinc/61/66/95/1206616695.db2.gz ICIOOLBPNWSUSL-NNFUDEMPSA-N 2 2 333.520 2.343 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC[C@@H]4C[C@@H]4CC3)CC2)CC1 ZINC000931217166 1206616795 /nfs/dbraw/zinc/61/67/95/1206616795.db2.gz NAKHLTBWKHYMKA-BJWYYQGGSA-N 2 2 333.520 2.488 10 0 EEAELP CC(=O)[C@](C)(O)C[N@@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931223587 1206617197 /nfs/dbraw/zinc/61/71/97/1206617197.db2.gz DMKYJTUWXQFHSJ-HSALFYBXSA-N 2 2 330.472 2.170 10 0 EEAELP CC(=O)[C@](C)(O)C[N@H+]1C[C@@]2(C)C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931223587 1206617198 /nfs/dbraw/zinc/61/71/98/1206617198.db2.gz DMKYJTUWXQFHSJ-HSALFYBXSA-N 2 2 330.472 2.170 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1C[C@@]2(C)C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931223587 1206617199 /nfs/dbraw/zinc/61/71/99/1206617199.db2.gz DMKYJTUWXQFHSJ-HSALFYBXSA-N 2 2 330.472 2.170 10 0 EEAELP CC(=O)[C@](C)(O)C[NH+]1C[C@@]2(C)C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC000931223587 1206617200 /nfs/dbraw/zinc/61/72/00/1206617200.db2.gz DMKYJTUWXQFHSJ-HSALFYBXSA-N 2 2 330.472 2.170 10 0 EEAELP CC[C@H](F)C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001691735837 1210525306 /nfs/dbraw/zinc/52/53/06/1210525306.db2.gz AFKHCJBMWSKLPF-HOTGVXAUSA-N 2 2 338.471 2.410 10 0 EEAELP CC[C@H](F)C[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC001691735837 1210525307 /nfs/dbraw/zinc/52/53/07/1210525307.db2.gz AFKHCJBMWSKLPF-HOTGVXAUSA-N 2 2 338.471 2.410 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[N@H+](Cc1nc(C)c(C)o1)C(C)C ZINC001691739412 1211877990 /nfs/dbraw/zinc/87/79/90/1211877990.db2.gz FTFVOUHDDNLQOY-UHFFFAOYSA-N 2 2 347.463 2.213 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NCCC[N@@H+](Cc1nc(C)c(C)o1)C(C)C ZINC001691739412 1211877991 /nfs/dbraw/zinc/87/79/91/1211877991.db2.gz FTFVOUHDDNLQOY-UHFFFAOYSA-N 2 2 347.463 2.213 10 0 EEAELP C/C(=C\C(=O)NC1CC[NH+](CC2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000900417511 1234336011 /nfs/dbraw/zinc/33/60/11/1234336011.db2.gz PYILUHWCCMJGOH-SAPNQHFASA-N 2 2 349.519 2.036 10 0 EEAELP C/C(=C\C(=O)Nc1cc(C)cc(C[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000901231100 1235423995 /nfs/dbraw/zinc/42/39/95/1235423995.db2.gz UFKRUYZTWKUQIB-LFIBNONCSA-N 2 2 331.460 2.274 10 0 EEAELP C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902927677 1239109598 /nfs/dbraw/zinc/10/95/98/1239109598.db2.gz RYOAZWNGGFAMDI-YJBOKZPZSA-N 2 2 343.427 2.445 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@@H+]2C2CCCC2)C1 ZINC001490921848 1258488450 /nfs/dbraw/zinc/48/84/50/1258488450.db2.gz FJLVGVAFUBQBSG-ZWOHKJQFSA-N 2 2 349.519 2.223 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2COCC[N@H+]2C2CCCC2)C1 ZINC001490921848 1258488457 /nfs/dbraw/zinc/48/84/57/1258488457.db2.gz FJLVGVAFUBQBSG-ZWOHKJQFSA-N 2 2 349.519 2.223 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1cc(F)cc(F)c1 ZINC001491506418 1259157573 /nfs/dbraw/zinc/15/75/73/1259157573.db2.gz BYSJAGRUEQQXOJ-JSGCOSHPSA-N 2 2 348.397 2.018 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC=C(Cl)Cl)C1 ZINC001279182028 1279991934 /nfs/dbraw/zinc/99/19/34/1279991934.db2.gz HOAVUTSMMAIIFF-PWSUYJOCSA-N 2 2 345.274 2.264 10 0 EEAELP CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647073 1286320810 /nfs/dbraw/zinc/32/08/10/1286320810.db2.gz CGOYAJPHVVWHFY-ZWKOTPCHSA-N 2 2 344.503 2.283 10 0 EEAELP CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647073 1286320819 /nfs/dbraw/zinc/32/08/19/1286320819.db2.gz CGOYAJPHVVWHFY-ZWKOTPCHSA-N 2 2 344.503 2.283 10 0 EEAELP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647073 1286320827 /nfs/dbraw/zinc/32/08/27/1286320827.db2.gz CGOYAJPHVVWHFY-ZWKOTPCHSA-N 2 2 344.503 2.283 10 0 EEAELP CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)C(C)(C)C1 ZINC001413647073 1286320836 /nfs/dbraw/zinc/32/08/36/1286320836.db2.gz CGOYAJPHVVWHFY-ZWKOTPCHSA-N 2 2 344.503 2.283 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@@H+]1Cc1ccns1 ZINC001489150518 1290408341 /nfs/dbraw/zinc/40/83/41/1290408341.db2.gz OWKXGUOLGOQJOU-JKSUJKDBSA-N 2 2 347.488 2.289 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCCn2cc[nH+]c2)CC[N@H+]1Cc1ccns1 ZINC001489150518 1290408346 /nfs/dbraw/zinc/40/83/46/1290408346.db2.gz OWKXGUOLGOQJOU-JKSUJKDBSA-N 2 2 347.488 2.289 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001490623926 1291535476 /nfs/dbraw/zinc/53/54/76/1291535476.db2.gz WGSWVSFAVSWVKO-GOSISDBHSA-N 2 2 348.491 2.155 10 0 EEAELP Cc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1N(C)C ZINC000854296689 1292708369 /nfs/dbraw/zinc/70/83/69/1292708369.db2.gz WAACKHZKQDAGEL-UHFFFAOYSA-N 2 2 335.496 2.066 10 0 EEAELP Cc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1N(C)C ZINC000854296689 1292708373 /nfs/dbraw/zinc/70/83/73/1292708373.db2.gz WAACKHZKQDAGEL-UHFFFAOYSA-N 2 2 335.496 2.066 10 0 EEAELP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585196 1293572696 /nfs/dbraw/zinc/57/26/96/1293572696.db2.gz ANUDQDYEYNWLHW-UYAOXDASSA-N 3 2 346.519 2.471 10 0 EEAELP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585196 1293572701 /nfs/dbraw/zinc/57/27/01/1293572701.db2.gz ANUDQDYEYNWLHW-UYAOXDASSA-N 3 2 346.519 2.471 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585196 1293572710 /nfs/dbraw/zinc/57/27/10/1293572710.db2.gz ANUDQDYEYNWLHW-UYAOXDASSA-N 3 2 346.519 2.471 10 0 EEAELP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856585196 1293572717 /nfs/dbraw/zinc/57/27/17/1293572717.db2.gz ANUDQDYEYNWLHW-UYAOXDASSA-N 3 2 346.519 2.471 10 0 EEAELP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1 ZINC001276791471 1297745193 /nfs/dbraw/zinc/74/51/93/1297745193.db2.gz VLTAJZAVHHLDBJ-AEFFLSMTSA-N 2 2 348.491 2.059 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1 ZINC001276890790 1300128572 /nfs/dbraw/zinc/12/85/72/1300128572.db2.gz FPFCYKPQULCVEX-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001276890790 1300128575 /nfs/dbraw/zinc/12/85/75/1300128575.db2.gz FPFCYKPQULCVEX-KRWDZBQOSA-N 2 2 330.476 2.434 10 0 EEAELP C[C@@H](CN(C)C(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc2ncccc2c1 ZINC001278034216 1305753163 /nfs/dbraw/zinc/75/31/63/1305753163.db2.gz LNZMSBKDHSZPRS-HNNXBMFYSA-N 2 2 337.427 2.068 10 0 EEAELP CCN(OC)C(=O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000843433040 1315914805 /nfs/dbraw/zinc/91/48/05/1315914805.db2.gz ONYMYFASMLWYRN-MRXNPFEDSA-N 2 2 333.476 2.082 10 0 EEAELP C[C@@H](NC(=O)CCC[NH+](C)C)C1C[NH+](Cc2ccnc(Cl)c2)C1 ZINC001276421775 1321966706 /nfs/dbraw/zinc/96/67/06/1321966706.db2.gz NNBXZGKTRSODHJ-CYBMUJFWSA-N 2 2 338.883 2.013 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1CC[NH2+]Cc1ccns1 ZINC001263955451 1322567514 /nfs/dbraw/zinc/56/75/14/1322567514.db2.gz LCGICLOYOUKCEV-CJNGLKHVSA-N 2 2 347.488 2.216 10 0 EEAELP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cscn1 ZINC001265005727 1322852246 /nfs/dbraw/zinc/85/22/46/1322852246.db2.gz HSWWRHZEMPOBDI-MRXNPFEDSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cscn1 ZINC001265005727 1322852252 /nfs/dbraw/zinc/85/22/52/1322852252.db2.gz HSWWRHZEMPOBDI-MRXNPFEDSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)Cc1cscn1 ZINC001265005727 1322852262 /nfs/dbraw/zinc/85/22/62/1322852262.db2.gz HSWWRHZEMPOBDI-MRXNPFEDSA-N 2 2 338.521 2.202 10 0 EEAELP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)Cc1cscn1 ZINC001265005727 1322852268 /nfs/dbraw/zinc/85/22/68/1322852268.db2.gz HSWWRHZEMPOBDI-MRXNPFEDSA-N 2 2 338.521 2.202 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001265058104 1322898714 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332.448 2.118 10 0 EEAELP C[C@@H]1[C@H]([NH2+]CCCc2ccsc2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001283939070 1326329282 /nfs/dbraw/zinc/32/92/82/1326329282.db2.gz LLNOPOHNEKJPKU-GDBMZVCRSA-N 2 2 332.473 2.156 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCc2ccsc2)CN1C(=O)Cn1cc[nH+]c1 ZINC001284031623 1326372076 /nfs/dbraw/zinc/37/20/76/1326372076.db2.gz KUIBHNNVQITNPF-ZBFHGGJFSA-N 2 2 332.473 2.156 10 0 EEAELP CN(C[C@H](O)C[NH2+]CCCC(C)(C)C)C(=O)c1cccc2[nH+]ccn21 ZINC001284433065 1326553344 /nfs/dbraw/zinc/55/33/44/1326553344.db2.gz VWLJELJTKYYZDG-OAHLLOKOSA-N 2 2 346.475 2.183 10 0 EEAELP C[C@H](CCNC(=O)Cc1[nH]cc[nH+]1)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC001492102255 1330469721 /nfs/dbraw/zinc/46/97/21/1330469721.db2.gz VROYICMTUSZIGQ-CHWSQXEVSA-N 2 2 328.407 2.262 10 0 EEAELP C[N@H+](CCCCC(F)(F)F)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001492311650 1331149317 /nfs/dbraw/zinc/14/93/17/1331149317.db2.gz NHVFHERNOZWQSV-ZDUSSCGKSA-N 2 2 346.397 2.226 10 0 EEAELP C[N@@H+](CCCCC(F)(F)F)CCNC(=O)[C@H]1CCn2cc[nH+]c2C1 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2.155 10 0 EEAELP COCCC[N@@H+](C)C[C@H]1CCCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317046516 1332058728 /nfs/dbraw/zinc/05/87/28/1332058728.db2.gz XIEVIQCDCAYVHB-MRXNPFEDSA-N 2 2 344.459 2.155 10 0 EEAELP CC(C)OCC[NH2+]C[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001317159266 1332104904 /nfs/dbraw/zinc/10/49/04/1332104904.db2.gz CSEZQXSIUIHSCB-DLBZAZTESA-N 2 2 336.480 2.087 10 0 EEAELP CCOCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001317206996 1332134490 /nfs/dbraw/zinc/13/44/90/1332134490.db2.gz IBQSHMMEPMOEOE-MSOLQXFVSA-N 2 2 348.491 2.155 10 0 EEAELP CCOCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001317206996 1332134493 /nfs/dbraw/zinc/13/44/93/1332134493.db2.gz IBQSHMMEPMOEOE-MSOLQXFVSA-N 2 2 348.491 2.155 10 0 EEAELP CC[C@@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCc1ccns1 ZINC001318547272 1332558555 /nfs/dbraw/zinc/55/85/55/1332558555.db2.gz CCGPEHGVAKXQKG-ZDUSSCGKSA-N 2 2 343.456 2.132 10 0 EEAELP O=C([C@@H]1CCc2c[nH+]cn2C1)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001318802902 1332600310 /nfs/dbraw/zinc/60/03/10/1332600310.db2.gz CSCYZWFLWYNMTP-ZWKOTPCHSA-N 2 2 344.503 2.464 10 0 EEAELP C[C@@H](C[NH2+]CC[C@@H]1CCCC1(F)F)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001319537694 1332717341 /nfs/dbraw/zinc/71/73/41/1332717341.db2.gz JHWWSWFGKKOAFP-STQMWFEESA-N 2 2 328.407 2.214 10 0 EEAELP C[C@H](CC[NH2+]CCc1ccccc1)NC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001320467455 1332890832 /nfs/dbraw/zinc/89/08/32/1332890832.db2.gz AOSVLRAUBCTCCY-SJLPKXTDSA-N 2 2 340.471 2.173 10 0 EEAELP CCN(CC[NH2+]Cc1cc(F)ccc1F)C(=O)Cc1[nH]c[nH+]c1C ZINC001320902073 1332975175 /nfs/dbraw/zinc/97/51/75/1332975175.db2.gz APYVYMFXHPXJRC-UHFFFAOYSA-N 2 2 336.386 2.177 10 0 EEAELP Cc1ccc(C[NH2+]C/C=C\CNC(=O)CCc2c[nH+]cn2C)cc1C ZINC001321371805 1333087760 /nfs/dbraw/zinc/08/77/60/1333087760.db2.gz IKAIHKOPIATNRJ-PLNGDYQASA-N 2 2 340.471 2.432 10 0 EEAELP CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001322579031 1333286587 /nfs/dbraw/zinc/28/65/87/1333286587.db2.gz CAUHGASTKPUAJS-HNNXBMFYSA-N 2 2 332.473 2.145 10 0 EEAELP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001322583509 1333288157 /nfs/dbraw/zinc/28/81/57/1333288157.db2.gz ZKFIGCQYMQGYNF-KRWDZBQOSA-N 2 2 344.503 2.464 10 0 EEAELP COCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001323640186 1333506164 /nfs/dbraw/zinc/50/61/64/1333506164.db2.gz CHRMXECKMQRZFR-WMZOPIPTSA-N 2 2 348.491 2.000 10 0 EEAELP COCCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001323640186 1333506167 /nfs/dbraw/zinc/50/61/67/1333506167.db2.gz CHRMXECKMQRZFR-WMZOPIPTSA-N 2 2 348.491 2.000 10 0 EEAELP COCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001324557984 1333709384 /nfs/dbraw/zinc/70/93/84/1333709384.db2.gz XBDDLJIEGVLOMP-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP COCCCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001324557984 1333709387 /nfs/dbraw/zinc/70/93/87/1333709387.db2.gz XBDDLJIEGVLOMP-LJQANCHMSA-N 2 2 348.491 2.083 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H]2CCN(C(=O)Cc3[nH]cc[nH+]3)C2)cc1F ZINC001326398102 1334083619 /nfs/dbraw/zinc/08/36/19/1334083619.db2.gz LXTIBQCRACWOAG-OAHLLOKOSA-N 2 2 344.434 2.428 10 0 EEAELP Cc1nocc1C[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001326412420 1334088416 /nfs/dbraw/zinc/08/84/16/1334088416.db2.gz SOLUACNCILYIFY-CQSZACIVSA-N 2 2 345.447 2.012 10 0 EEAELP CCOCCC[NH+]1CCC2(CN(C(=O)C[C@@H](C)n3cc[nH+]c3)C2)CC1 ZINC001326598624 1334122760 /nfs/dbraw/zinc/12/27/60/1334122760.db2.gz KWWCAIKHAXLUAB-QGZVFWFLSA-N 2 2 348.491 2.185 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N1CCCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC001326760340 1334156106 /nfs/dbraw/zinc/15/61/06/1334156106.db2.gz QDKDMGSAZNUGJY-GOSISDBHSA-N 2 2 340.471 2.176 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C/Cl ZINC001328631826 1334491948 /nfs/dbraw/zinc/49/19/48/1334491948.db2.gz GJOUFFAAJGESKE-SZTZYQKNSA-N 2 2 337.851 2.356 10 0 EEAELP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001329166666 1334598250 /nfs/dbraw/zinc/59/82/50/1334598250.db2.gz IHVRNRFPOCSVOP-ZIAGYGMSSA-N 2 2 339.443 2.127 10 0 EEAELP C[C@H](NC(=O)c1cc2c[nH+]ccc2[nH]1)C1C[NH+](CCOCC2CC2)C1 ZINC001330019441 1334761817 /nfs/dbraw/zinc/76/18/17/1334761817.db2.gz DTMZKFDTCKEKPN-ZDUSSCGKSA-N 2 2 342.443 2.040 10 0 EEAELP C[C@@H]1C[C@H]([NH2+]CCCF)CN1C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC001332016119 1335706313 /nfs/dbraw/zinc/70/63/13/1335706313.db2.gz QNQZPGCREPFNRU-ZBFHGGJFSA-N 2 2 330.407 2.425 10 0 EEAELP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](Cc3nccs3)CC2)CC1 ZINC001333420482 1336042629 /nfs/dbraw/zinc/04/26/29/1336042629.db2.gz VJENQXUHCZBXKW-UHFFFAOYSA-N 2 2 348.516 2.123 10 0 EEAELP CC1CC[NH+](CC(=O)NCC2=CC[N@@H+](Cc3nccs3)CC2)CC1 ZINC001333420482 1336042632 /nfs/dbraw/zinc/04/26/32/1336042632.db2.gz VJENQXUHCZBXKW-UHFFFAOYSA-N 2 2 348.516 2.123 10 0 EEAELP C/C(=C/c1cccnc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000847408829 1338038203 /nfs/dbraw/zinc/03/82/03/1338038203.db2.gz DPVBBCKAAVMGQO-PEZBUJJGSA-N 2 2 342.487 2.160 10 0 EEAELP C/C(=C\c1cccnc1)C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000847485118 1338096657 /nfs/dbraw/zinc/09/66/57/1338096657.db2.gz JZBJYDKUPZTKQJ-XAVZPLJISA-N 2 2 342.487 2.112 10 0 EEAELP C/C(=C\c1cccnc1)C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000847485118 1338096661 /nfs/dbraw/zinc/09/66/61/1338096661.db2.gz JZBJYDKUPZTKQJ-XAVZPLJISA-N 2 2 342.487 2.112 10 0 EEAELP Cn1c[nH+]c(CCNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)c1 ZINC000849116430 1339146315 /nfs/dbraw/zinc/14/63/15/1339146315.db2.gz PIQTUANNHVRFLH-UHFFFAOYSA-N 2 2 327.310 2.498 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NC[C@H]1C[C@H]([NH2+]CC[C@H]2CCCC2(F)F)C1 ZINC001436393219 1342070725 /nfs/dbraw/zinc/07/07/25/1342070725.db2.gz OXMUHCPQLPAZGV-MGPQQGTHSA-N 2 2 340.418 2.262 10 0 EEAELP O=C(CCCn1cc[nH+]c1)NC1(C[NH2+]Cc2ccon2)CCCCC1 ZINC001506531799 1342243808 /nfs/dbraw/zinc/24/38/08/1342243808.db2.gz PXDOKNMROJVDEW-UHFFFAOYSA-N 2 2 345.447 2.260 10 0 EEAELP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001566768198 1342627076 /nfs/dbraw/zinc/62/70/76/1342627076.db2.gz AIRSBKMNRMPEPM-UIZHIOIMSA-N 2 2 330.476 2.382 10 0 EEAELP CN(CC[NH2+]C/C(Cl)=C\Cl)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001567498238 1342770587 /nfs/dbraw/zinc/77/05/87/1342770587.db2.gz ABVUTWYJZQXUPT-FMIVXFBMSA-N 2 2 345.274 2.129 10 0 EEAELP Cc1ccc(CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cc2[nH]cc[nH+]2)cc1 ZINC001570640582 1343096545 /nfs/dbraw/zinc/09/65/45/1343096545.db2.gz CVNIMWQORYBSQM-HZPDHXFCSA-N 2 2 328.460 2.376 10 0 EEAELP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001571402332 1343204866 /nfs/dbraw/zinc/20/48/66/1343204866.db2.gz UQTXEJUKNLLBJO-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001571402332 1343204870 /nfs/dbraw/zinc/20/48/70/1343204870.db2.gz UQTXEJUKNLLBJO-WMZOPIPTSA-N 2 2 339.524 2.257 10 0 EEAELP CCOCCC[NH2+][C@H](C)CN(C)C(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001676347804 1357138261 /nfs/dbraw/zinc/13/82/61/1357138261.db2.gz YFNSOWYIDCYTGU-CQSZACIVSA-N 2 2 332.448 2.119 10 0 EEAELP Cc1nc(C[NH+]2CC=C(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cs1 ZINC001677603589 1357370547 /nfs/dbraw/zinc/37/05/47/1357370547.db2.gz WWLMXYVTSFKXPV-AWEZNQCLSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C[NH+]3CC[C@H](C)C3)CC2)cs1 ZINC001677603589 1357370551 /nfs/dbraw/zinc/37/05/51/1357370551.db2.gz WWLMXYVTSFKXPV-AWEZNQCLSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C[NH+]3CC[C@H](C)C3)CC2)cs1 ZINC001677603589 1357370555 /nfs/dbraw/zinc/37/05/55/1357370555.db2.gz WWLMXYVTSFKXPV-AWEZNQCLSA-N 2 2 348.516 2.042 10 0 EEAELP Cc1conc1C[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001677632271 1357378308 /nfs/dbraw/zinc/37/83/08/1357378308.db2.gz JSQGBCYKPPCHQL-HZPDHXFCSA-N 2 2 346.475 2.104 10 0 EEAELP Cc1conc1C[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001677632271 1357378310 /nfs/dbraw/zinc/37/83/10/1357378310.db2.gz JSQGBCYKPPCHQL-HZPDHXFCSA-N 2 2 346.475 2.104 10 0 EEAELP O=C(NCCCCNc1cccc[nH+]1)[C@H]1CCN(c2cc[nH+]cc2)C1 ZINC001641251799 1352720043 /nfs/dbraw/zinc/72/00/43/1352720043.db2.gz MGQLQHBVENYOOC-INIZCTEOSA-N 2 2 339.443 2.311 10 0 EEAELP CNc1cc(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc[nH+]1 ZINC001649279159 1353454831 /nfs/dbraw/zinc/45/48/31/1353454831.db2.gz ODUDPWNPGZWPEL-OAHLLOKOSA-N 2 2 343.431 2.353 10 0 EEAELP C[C@H](O)CCC[NH2+]CC(C)(C)CN(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001649463667 1353519064 /nfs/dbraw/zinc/51/90/64/1353519064.db2.gz ASPPKGAOWQIWDV-AWEZNQCLSA-N 2 2 346.475 2.412 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001656969525 1354304627 /nfs/dbraw/zinc/30/46/27/1354304627.db2.gz DUKUCNKDSROYSJ-GROQQSRCSA-N 2 2 330.476 2.381 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@H]1C ZINC001656969525 1354304628 /nfs/dbraw/zinc/30/46/28/1354304628.db2.gz DUKUCNKDSROYSJ-GROQQSRCSA-N 2 2 330.476 2.381 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001667762457 1355809356 /nfs/dbraw/zinc/80/93/56/1355809356.db2.gz AZNBWUGPPXBYGY-DGCLKSJQSA-N 2 2 345.274 2.156 10 0 EEAELP CO[C@@H](C[NH2+]CC=CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001668886756 1356034748 /nfs/dbraw/zinc/03/47/48/1356034748.db2.gz AUIIHWWRGURHPX-DCKQQPRJSA-N 2 2 342.443 2.254 10 0 EEAELP Cc1nc(C[NH2+]C/C=C\CNC(=O)[C@H](c2ccccc2)[NH+](C)C)co1 ZINC001669207340 1356126076 /nfs/dbraw/zinc/12/60/76/1356126076.db2.gz LVYSZNZWAHNWLH-ZEVQVBBLSA-N 2 2 342.443 2.048 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC001671388904 1356334109 /nfs/dbraw/zinc/33/41/09/1356334109.db2.gz HPFMZXXEOFUVJE-LSDHHAIUSA-N 2 2 340.418 2.289 10 0 EEAELP CC(C)=CC[NH2+]C1CC[NH+](CCNC(=O)/C=C\c2ccc[nH]2)CC1 ZINC001672456305 1356525854 /nfs/dbraw/zinc/52/58/54/1356525854.db2.gz YUWYHGOVCVQQGL-WAYWQWQTSA-N 2 2 330.476 2.164 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001672885294 1356607229 /nfs/dbraw/zinc/60/72/29/1356607229.db2.gz LIOWTTNRVGNLIL-ZDUSSCGKSA-N 2 2 347.850 2.029 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]Cc2ccc(Cl)nc2)C1 ZINC001672885293 1356607236 /nfs/dbraw/zinc/60/72/36/1356607236.db2.gz LIOWTTNRVGNLIL-CYBMUJFWSA-N 2 2 347.850 2.029 10 0 EEAELP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)c1 ZINC001699517215 1405368518 /nfs/dbraw/zinc/36/85/18/1405368518.db2.gz LKWVSIZJVGPAHB-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP C[C@@H](CC(=O)N1CCC[C@H]1C[NH2+]CCC(F)(F)F)n1cc[nH+]c1 ZINC001699760456 1405470356 /nfs/dbraw/zinc/47/03/56/1405470356.db2.gz LDMYDNIHDXOZDV-STQMWFEESA-N 2 2 332.370 2.367 10 0 EEAELP C/C(=C\C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000907446837 784651190 /nfs/dbraw/zinc/65/11/90/784651190.db2.gz KZXKPXFXZLTAIK-QJCOLYGISA-N 2 2 345.487 2.073 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000907877625 784928696 /nfs/dbraw/zinc/92/86/96/784928696.db2.gz UQBRSTQYUMOPEN-MRXNPFEDSA-N 2 2 343.475 2.455 10 0 EEAELP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccnn2C2CCC2)CC1 ZINC000921860584 797693005 /nfs/dbraw/zinc/69/30/05/797693005.db2.gz SHTNDSGTCPKVNK-OALUTQOASA-N 2 2 332.492 2.466 10 0 EEAELP OC1(C2(C[NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)CC2)CCOCC1 ZINC000922596718 801471620 /nfs/dbraw/zinc/47/16/20/801471620.db2.gz BXBNDENPTMLTLW-UHFFFAOYSA-N 2 2 327.428 2.284 10 0 EEAELP Cc1oncc1C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437042813 1088911589 /nfs/dbraw/zinc/91/15/89/1088911589.db2.gz QIIORIJBHHQHCC-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1oncc1C[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001437042813 1088911604 /nfs/dbraw/zinc/91/16/04/1088911604.db2.gz QIIORIJBHHQHCC-KRWDZBQOSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1noc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001437150095 1089147533 /nfs/dbraw/zinc/14/75/33/1089147533.db2.gz LILWIJDVHZEDSD-GUYCJALGSA-N 2 2 347.463 2.370 10 0 EEAELP COc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)ccc1C ZINC001437156852 1089159046 /nfs/dbraw/zinc/15/90/46/1089159046.db2.gz KRSAIHHBNYKYSO-FVQBIDKESA-N 2 2 342.443 2.125 10 0 EEAELP COc1cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)ccc1C ZINC001437156852 1089159054 /nfs/dbraw/zinc/15/90/54/1089159054.db2.gz KRSAIHHBNYKYSO-FVQBIDKESA-N 2 2 342.443 2.125 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)Cc1cncs1 ZINC001437463088 1089783745 /nfs/dbraw/zinc/78/37/45/1089783745.db2.gz NQNQQGXLVXHKGM-ZDUSSCGKSA-N 2 2 335.477 2.101 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](C)Cc1cncs1 ZINC001437463088 1089783750 /nfs/dbraw/zinc/78/37/50/1089783750.db2.gz NQNQQGXLVXHKGM-ZDUSSCGKSA-N 2 2 335.477 2.101 10 0 EEAELP CC[N@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)Cc1cncs1 ZINC001437647300 1090168179 /nfs/dbraw/zinc/16/81/79/1090168179.db2.gz AFHIXROVDJSIAC-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP CC[N@@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)Cc1cncs1 ZINC001437647300 1090168180 /nfs/dbraw/zinc/16/81/80/1090168180.db2.gz AFHIXROVDJSIAC-KRWDZBQOSA-N 2 2 346.500 2.384 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001437668099 1090195759 /nfs/dbraw/zinc/19/57/59/1090195759.db2.gz RZEKHCUTSRCHFV-HZPDHXFCSA-N 2 2 348.491 2.499 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2CCC[C@@H]2CNC(=O)C(C)(C)[NH+]2CCCC2)o1 ZINC001437668099 1090195763 /nfs/dbraw/zinc/19/57/63/1090195763.db2.gz RZEKHCUTSRCHFV-HZPDHXFCSA-N 2 2 348.491 2.499 10 0 EEAELP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ncc(C(C)(C)C)o1 ZINC001437848572 1090431832 /nfs/dbraw/zinc/43/18/32/1090431832.db2.gz RKSTWXIDHFNWBW-AWEZNQCLSA-N 2 2 336.480 2.177 10 0 EEAELP CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001437891692 1090471485 /nfs/dbraw/zinc/47/14/85/1090471485.db2.gz LPBWXDDAIUXBAS-DLBZAZTESA-N 2 2 332.492 2.414 10 0 EEAELP CCCN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001437891692 1090471490 /nfs/dbraw/zinc/47/14/90/1090471490.db2.gz LPBWXDDAIUXBAS-DLBZAZTESA-N 2 2 332.492 2.414 10 0 EEAELP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001438263591 1090746201 /nfs/dbraw/zinc/74/62/01/1090746201.db2.gz HFSBGDYJVQECBM-RHSMWYFYSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001438263591 1090746202 /nfs/dbraw/zinc/74/62/02/1090746202.db2.gz HFSBGDYJVQECBM-RHSMWYFYSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001438263591 1090746203 /nfs/dbraw/zinc/74/62/03/1090746203.db2.gz HFSBGDYJVQECBM-RHSMWYFYSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001438263591 1090746206 /nfs/dbraw/zinc/74/62/06/1090746206.db2.gz HFSBGDYJVQECBM-RHSMWYFYSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001438271037 1090753890 /nfs/dbraw/zinc/75/38/90/1090753890.db2.gz CNUVMDUVYLNCTQ-GOSISDBHSA-N 2 2 326.444 2.315 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001438271037 1090753892 /nfs/dbraw/zinc/75/38/92/1090753892.db2.gz CNUVMDUVYLNCTQ-GOSISDBHSA-N 2 2 326.444 2.315 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001438452910 1090960930 /nfs/dbraw/zinc/96/09/30/1090960930.db2.gz MFCYVHUJQWMTTE-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(F)cc1F)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001445401360 1091148723 /nfs/dbraw/zinc/14/87/23/1091148723.db2.gz VUIZLMDNHKWULX-CHWSQXEVSA-N 2 2 348.397 2.018 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@H+](C)Cc1ccccn1 ZINC001438873565 1091517482 /nfs/dbraw/zinc/51/74/82/1091517482.db2.gz LYALYEKQPHVWRI-INIZCTEOSA-N 2 2 343.475 2.382 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[N@@H+](C)Cc1ccccn1 ZINC001438873565 1091517488 /nfs/dbraw/zinc/51/74/88/1091517488.db2.gz LYALYEKQPHVWRI-INIZCTEOSA-N 2 2 343.475 2.382 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)sc1C ZINC001445762402 1091611413 /nfs/dbraw/zinc/61/14/13/1091611413.db2.gz YINVDZSYSIATQJ-NJZAAPMLSA-N 2 2 338.521 2.037 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)sc1C ZINC001445762402 1091611417 /nfs/dbraw/zinc/61/14/17/1091611417.db2.gz YINVDZSYSIATQJ-NJZAAPMLSA-N 2 2 338.521 2.037 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sc1C ZINC001445762402 1091611418 /nfs/dbraw/zinc/61/14/18/1091611418.db2.gz YINVDZSYSIATQJ-NJZAAPMLSA-N 2 2 338.521 2.037 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)sc1C ZINC001445762402 1091611419 /nfs/dbraw/zinc/61/14/19/1091611419.db2.gz YINVDZSYSIATQJ-NJZAAPMLSA-N 2 2 338.521 2.037 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[N@H+](C)Cc1cncs1 ZINC001445825254 1091711451 /nfs/dbraw/zinc/71/14/51/1091711451.db2.gz ZLFJSPOEPHNJAK-ZDUSSCGKSA-N 2 2 335.477 2.100 10 0 EEAELP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[N@@H+](C)Cc1cncs1 ZINC001445825254 1091711459 /nfs/dbraw/zinc/71/14/59/1091711459.db2.gz ZLFJSPOEPHNJAK-ZDUSSCGKSA-N 2 2 335.477 2.100 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001439400538 1092156372 /nfs/dbraw/zinc/15/63/72/1092156372.db2.gz NDGIPQYXMOKVGP-FZKQIMNGSA-N 2 2 326.444 2.385 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001439400538 1092156374 /nfs/dbraw/zinc/15/63/74/1092156374.db2.gz NDGIPQYXMOKVGP-FZKQIMNGSA-N 2 2 326.444 2.385 10 0 EEAELP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2Cl)C1 ZINC001439574965 1092465827 /nfs/dbraw/zinc/46/58/27/1092465827.db2.gz QBZOOGUFQYSEOT-ZBFHGGJFSA-N 2 2 335.879 2.372 10 0 EEAELP C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2Cl)C1 ZINC001439574965 1092465835 /nfs/dbraw/zinc/46/58/35/1092465835.db2.gz QBZOOGUFQYSEOT-ZBFHGGJFSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2Cl)C1 ZINC001439574965 1092465842 /nfs/dbraw/zinc/46/58/42/1092465842.db2.gz QBZOOGUFQYSEOT-ZBFHGGJFSA-N 2 2 335.879 2.372 10 0 EEAELP C[NH+]1CC[C@H](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2Cl)C1 ZINC001439574965 1092465849 /nfs/dbraw/zinc/46/58/49/1092465849.db2.gz QBZOOGUFQYSEOT-ZBFHGGJFSA-N 2 2 335.879 2.372 10 0 EEAELP C[C@]1(C[NH2+]CC2CCCC2)CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001439881922 1092932628 /nfs/dbraw/zinc/93/26/28/1092932628.db2.gz CMJHNPAXYYVUSL-YLJYHZDGSA-N 2 2 344.503 2.464 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@H+](CC2CCC2)CCC1(F)F ZINC001439975107 1093093106 /nfs/dbraw/zinc/09/31/06/1093093106.db2.gz JUCFWEZUGIUQIB-AWEZNQCLSA-N 2 2 340.418 2.134 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1C[N@@H+](CC2CCC2)CCC1(F)F ZINC001439975107 1093093113 /nfs/dbraw/zinc/09/31/13/1093093113.db2.gz JUCFWEZUGIUQIB-AWEZNQCLSA-N 2 2 340.418 2.134 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccccc1F ZINC001448676888 1093743535 /nfs/dbraw/zinc/74/35/35/1093743535.db2.gz AFYBZXQURPTBSL-LSDHHAIUSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)o1 ZINC001448779263 1093859374 /nfs/dbraw/zinc/85/93/74/1093859374.db2.gz QPHCHCORTCNNTC-RDTXWAMCSA-N 2 2 344.459 2.222 10 0 EEAELP C[C@@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1c(F)cccc1F ZINC001440668623 1093932858 /nfs/dbraw/zinc/93/28/58/1093932858.db2.gz FYMFBPSEGFIFCC-ZDUSSCGKSA-N 2 2 336.386 2.236 10 0 EEAELP CC[C@H](C)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1c[nH]c[nH+]1 ZINC001440718710 1093962091 /nfs/dbraw/zinc/96/20/91/1093962091.db2.gz HOUTVWRXRODBCV-BOFPYLFWSA-N 2 2 326.444 2.370 10 0 EEAELP C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2cncs2)C1)n1cc[nH+]c1 ZINC001449385344 1094359085 /nfs/dbraw/zinc/35/90/85/1094359085.db2.gz JVOVZQUCELUKPB-IYXRBSQSSA-N 2 2 333.461 2.070 10 0 EEAELP Cc1nc(C[NH+]2CC([C@H](C)NC(=O)C(C)(C)[NH+]3CCCC3)C2)c(C)o1 ZINC001441167239 1094518123 /nfs/dbraw/zinc/51/81/23/1094518123.db2.gz MZXVNQGMXVFTRP-ZDUSSCGKSA-N 2 2 348.491 2.102 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001441172679 1094527398 /nfs/dbraw/zinc/52/73/98/1094527398.db2.gz ZFDFLJMBDSPSRJ-BEFAXECRSA-N 2 2 338.455 2.397 10 0 EEAELP CC1(C)CC(C[NH2+][C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C2CC2)C1 ZINC001441197484 1094556723 /nfs/dbraw/zinc/55/67/23/1094556723.db2.gz CBDOXVJLPWDMIW-DLBZAZTESA-N 2 2 344.503 2.366 10 0 EEAELP CC(C)(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001441197477 1094557038 /nfs/dbraw/zinc/55/70/38/1094557038.db2.gz BYVSKYCZWQAXBK-JKSUJKDBSA-N 2 2 332.492 2.366 10 0 EEAELP Cc1ncsc1C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001441364288 1094886653 /nfs/dbraw/zinc/88/66/53/1094886653.db2.gz AXJIFNJUJRCQHP-BPLDGKMQSA-N 2 2 347.488 2.284 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001441716711 1095695563 /nfs/dbraw/zinc/69/55/63/1095695563.db2.gz FLMCMWBVGJFSCI-CFHZMDMSSA-N 2 2 344.503 2.252 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001441716711 1095695570 /nfs/dbraw/zinc/69/55/70/1095695570.db2.gz FLMCMWBVGJFSCI-CFHZMDMSSA-N 2 2 344.503 2.252 10 0 EEAELP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c(C)c1 ZINC001441859584 1095958515 /nfs/dbraw/zinc/95/85/15/1095958515.db2.gz RUKNVFQOTGFALU-IAGOWNOFSA-N 2 2 340.471 2.357 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(CF)cc1 ZINC001441861671 1095959801 /nfs/dbraw/zinc/95/98/01/1095959801.db2.gz UHSZHLIIZGLBKB-YOEHRIQHSA-N 2 2 344.434 2.210 10 0 EEAELP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)c1 ZINC001442272339 1096578631 /nfs/dbraw/zinc/57/86/31/1096578631.db2.gz IEEPOYZEQVIWOI-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP Cc1nocc1C[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001443045513 1097455137 /nfs/dbraw/zinc/45/51/37/1097455137.db2.gz QKOJZTREZYEBKG-MAUKXSAKSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1nocc1C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001443045513 1097455141 /nfs/dbraw/zinc/45/51/41/1097455141.db2.gz QKOJZTREZYEBKG-MAUKXSAKSA-N 2 2 348.491 2.184 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@]1(C[NH2+]Cc2ccon2)CCCC[C@H]1C ZINC001444158932 1098705025 /nfs/dbraw/zinc/70/50/25/1098705025.db2.gz JFQCJIWPQWCOQY-KDOFPFPSSA-N 2 2 345.447 2.034 10 0 EEAELP CO[C@H](C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH]c[nH+]2)CC1)C1CCC1 ZINC001444172962 1098724420 /nfs/dbraw/zinc/72/44/20/1098724420.db2.gz SQCQURCLYFUQCV-JFIYKMOQSA-N 2 2 348.491 2.174 10 0 EEAELP CO[C@H](C[NH2+][C@H]1CC[C@H](NC(=O)CCc2c[nH+]c[nH]2)CC1)C1CCC1 ZINC001444172962 1098724429 /nfs/dbraw/zinc/72/44/29/1098724429.db2.gz SQCQURCLYFUQCV-JFIYKMOQSA-N 2 2 348.491 2.174 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@@H+](C)CC3CCOCC3)ccn12 ZINC001479772778 1098945702 /nfs/dbraw/zinc/94/57/02/1098945702.db2.gz XEQNYZRBIQLDNM-UHFFFAOYSA-N 2 2 344.459 2.121 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NCCC[N@H+](C)CC3CCOCC3)ccn12 ZINC001479772778 1098945714 /nfs/dbraw/zinc/94/57/14/1098945714.db2.gz XEQNYZRBIQLDNM-UHFFFAOYSA-N 2 2 344.459 2.121 10 0 EEAELP COCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1c[nH+]ccc1OC ZINC001479822370 1099098990 /nfs/dbraw/zinc/09/89/90/1099098990.db2.gz IBFXZLZHXFFOMK-DOTOQJQBSA-N 2 2 349.475 2.028 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)CCO1)n1cc[nH+]c1 ZINC001444454040 1099102732 /nfs/dbraw/zinc/10/27/32/1099102732.db2.gz SWFLRVLQNANDRL-SJLPKXTDSA-N 2 2 348.491 2.232 10 0 EEAELP C[C@H](CC(=O)NC[C@@H]1C[N@@H+](CCC2CCCC2)CCO1)n1cc[nH+]c1 ZINC001444454040 1099102736 /nfs/dbraw/zinc/10/27/36/1099102736.db2.gz SWFLRVLQNANDRL-SJLPKXTDSA-N 2 2 348.491 2.232 10 0 EEAELP Cc1nc(C[NH2+]C2(CNC(=O)C[C@@H](C)n3cc[nH+]c3)CCCC2)co1 ZINC001444523843 1099279142 /nfs/dbraw/zinc/27/91/42/1099279142.db2.gz KBLQPKNGASHUML-CQSZACIVSA-N 2 2 345.447 2.349 10 0 EEAELP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001480139815 1099705110 /nfs/dbraw/zinc/70/51/10/1099705110.db2.gz BHRTXEWANLEYQV-WKILWMFISA-N 2 2 332.492 2.435 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@@H]2CNC(=O)CC[C@H]2CCC[N@H+]2C)co1 ZINC001480317197 1100051651 /nfs/dbraw/zinc/05/16/51/1100051651.db2.gz AGVOKIBIWKHPFB-QZTJIDSGSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[NH+]2CCCC[C@@H]2CNC(=O)CC[C@H]2CCC[N@@H+]2C)co1 ZINC001480317197 1100051655 /nfs/dbraw/zinc/05/16/55/1100051655.db2.gz AGVOKIBIWKHPFB-QZTJIDSGSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[C@H]2CCC[NH+]2C)co1 ZINC001480317197 1100051660 /nfs/dbraw/zinc/05/16/60/1100051660.db2.gz AGVOKIBIWKHPFB-QZTJIDSGSA-N 2 2 348.491 2.328 10 0 EEAELP Cc1nc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[C@H]2CCC[NH+]2C)co1 ZINC001480317197 1100051671 /nfs/dbraw/zinc/05/16/71/1100051671.db2.gz AGVOKIBIWKHPFB-QZTJIDSGSA-N 2 2 348.491 2.328 10 0 EEAELP C[C@H](c1ncc(C(C)(C)C)o1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001445025066 1100186017 /nfs/dbraw/zinc/18/60/17/1100186017.db2.gz GPHGGIDWEIPAQG-CQSZACIVSA-N 2 2 338.496 2.375 10 0 EEAELP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001445025066 1100186019 /nfs/dbraw/zinc/18/60/19/1100186019.db2.gz GPHGGIDWEIPAQG-CQSZACIVSA-N 2 2 338.496 2.375 10 0 EEAELP Cc1ncoc1C[N@@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001445050096 1100235007 /nfs/dbraw/zinc/23/50/07/1100235007.db2.gz VZMPMMPQQPCQFB-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1ncoc1C[N@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001445050096 1100235013 /nfs/dbraw/zinc/23/50/13/1100235013.db2.gz VZMPMMPQQPCQFB-MRXNPFEDSA-N 2 2 336.480 2.138 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)c[nH+]1 ZINC001480486189 1100295900 /nfs/dbraw/zinc/29/59/00/1100295900.db2.gz KICLOAHQUMSQTG-OCCSQVGLSA-N 2 2 342.434 2.456 10 0 EEAELP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001480489295 1100300139 /nfs/dbraw/zinc/30/01/39/1100300139.db2.gz HDBJTTMORRRYII-MAUKXSAKSA-N 2 2 340.471 2.302 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)[NH2+]CCCCC(F)(F)F ZINC001480491300 1100302373 /nfs/dbraw/zinc/30/23/73/1100302373.db2.gz XNNIRTSPCVXUSS-QWHCGFSZSA-N 2 2 346.397 2.272 10 0 EEAELP CC[C@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)s1 ZINC001495117840 1100777081 /nfs/dbraw/zinc/77/70/81/1100777081.db2.gz MLXRZQBHUDFDOT-LLVKDONJSA-N 2 2 326.853 2.283 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)no1 ZINC001496247950 1100817374 /nfs/dbraw/zinc/81/73/74/1100817374.db2.gz IZLFUOBPHYKJMR-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1cnc(C[NH2+]C[C@](C)(NC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)o1 ZINC001495281136 1100980135 /nfs/dbraw/zinc/98/01/35/1100980135.db2.gz MENWIUWTXPCFCF-UGSOOPFHSA-N 2 2 345.447 2.205 10 0 EEAELP C[C@H](F)CC[N@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001496513148 1101112830 /nfs/dbraw/zinc/11/28/30/1101112830.db2.gz ZEBUNFQUFSTIMZ-HNNXBMFYSA-N 2 2 338.471 2.271 10 0 EEAELP C[C@H](F)CC[N@@H+](C)CCC1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001496513148 1101112834 /nfs/dbraw/zinc/11/28/34/1101112834.db2.gz ZEBUNFQUFSTIMZ-HNNXBMFYSA-N 2 2 338.471 2.271 10 0 EEAELP C[C@@H]1C[C@H](C[N@H+](C)CCN(C)C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001496743622 1101385377 /nfs/dbraw/zinc/38/53/77/1101385377.db2.gz BVNMBSRZECHRNZ-HZPDHXFCSA-N 2 2 344.459 2.153 10 0 EEAELP C[C@@H]1C[C@H](C[N@@H+](C)CCN(C)C(=O)c2cccc3[nH+]ccn32)CCO1 ZINC001496743622 1101385387 /nfs/dbraw/zinc/38/53/87/1101385387.db2.gz BVNMBSRZECHRNZ-HZPDHXFCSA-N 2 2 344.459 2.153 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@@H](C)C[NH2+]Cc2csc(C)n2)c[nH+]1 ZINC001495692586 1101446491 /nfs/dbraw/zinc/44/64/91/1101446491.db2.gz WLNVHCLOMZVDNP-LBPRGKRZSA-N 2 2 349.504 2.234 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001497213236 1102136510 /nfs/dbraw/zinc/13/65/10/1102136510.db2.gz AAAMLVKWEHCRFN-NSHDSACASA-N 2 2 327.388 2.158 10 0 EEAELP CCO[C@H](C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001447311987 1102429447 /nfs/dbraw/zinc/42/94/47/1102429447.db2.gz VZAOWSQDCOXJHZ-SJLPKXTDSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@H](C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC1)C1CC1 ZINC001447311987 1102429449 /nfs/dbraw/zinc/42/94/49/1102429449.db2.gz VZAOWSQDCOXJHZ-SJLPKXTDSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@H](C[N@@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001447311987 1102429456 /nfs/dbraw/zinc/42/94/56/1102429456.db2.gz VZAOWSQDCOXJHZ-SJLPKXTDSA-N 2 2 348.491 2.128 10 0 EEAELP CCO[C@H](C[N@H+]1CCC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC1)C1CC1 ZINC001447311987 1102429463 /nfs/dbraw/zinc/42/94/63/1102429463.db2.gz VZAOWSQDCOXJHZ-SJLPKXTDSA-N 2 2 348.491 2.128 10 0 EEAELP CCN(CC[NH2+]C[C@H](OC)C1CCC1)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497408713 1102445215 /nfs/dbraw/zinc/44/52/15/1102445215.db2.gz WSGWZSWOPSAZHJ-SFHVURJKSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@H](CC(=O)N(C)CCC[N@H+](C)Cc1cncc(F)c1)n1cc[nH+]c1 ZINC001447361864 1102530759 /nfs/dbraw/zinc/53/07/59/1102530759.db2.gz VQSIJMSNROTMMR-OAHLLOKOSA-N 2 2 347.438 2.349 10 0 EEAELP C[C@H](CC(=O)N(C)CCC[N@@H+](C)Cc1cncc(F)c1)n1cc[nH+]c1 ZINC001447361864 1102530768 /nfs/dbraw/zinc/53/07/68/1102530768.db2.gz VQSIJMSNROTMMR-OAHLLOKOSA-N 2 2 347.438 2.349 10 0 EEAELP C[C@H](c1ccccc1)[NH+]1CC2(C1)C[C@H](NC(=O)CCC[NH+](C)C)CO2 ZINC001447390780 1102579514 /nfs/dbraw/zinc/57/95/14/1102579514.db2.gz XFAQVWMDXPTSOW-AEFFLSMTSA-N 2 2 345.487 2.049 10 0 EEAELP CCC1([NH2+]Cc2csc(C)n2)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001447432379 1102644554 /nfs/dbraw/zinc/64/45/54/1102644554.db2.gz ZTXGZRHWFUTVGD-UHFFFAOYSA-N 2 2 347.488 2.278 10 0 EEAELP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC001497841167 1103178112 /nfs/dbraw/zinc/17/81/12/1103178112.db2.gz UYORGWJKERDDSK-WBVHZDCISA-N 2 2 326.444 2.048 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCOC1CCC1 ZINC001447786092 1103339447 /nfs/dbraw/zinc/33/94/47/1103339447.db2.gz XALGVCQHMCOUSD-RDJZCZTQSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCOC1CCC1 ZINC001447786092 1103339463 /nfs/dbraw/zinc/33/94/63/1103339463.db2.gz XALGVCQHMCOUSD-RDJZCZTQSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@H+](C)CCOC1CCC1 ZINC001447786092 1103339473 /nfs/dbraw/zinc/33/94/73/1103339473.db2.gz XALGVCQHMCOUSD-RDJZCZTQSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C[N@@H+](C)CCOC1CCC1 ZINC001447786092 1103339488 /nfs/dbraw/zinc/33/94/88/1103339488.db2.gz XALGVCQHMCOUSD-RDJZCZTQSA-N 2 2 348.491 2.080 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCc1ccccc1 ZINC001447885846 1103517764 /nfs/dbraw/zinc/51/77/64/1103517764.db2.gz QPELMULWNSKGRP-HZPDHXFCSA-N 2 2 341.455 2.358 10 0 EEAELP C[C@@H](NC(=O)Cc1[nH]cc[nH+]1)C1C[NH+](Cc2ccc(C3CC3)cc2)C1 ZINC001448343822 1104433014 /nfs/dbraw/zinc/43/30/14/1104433014.db2.gz XKAPODMTWQTJPE-CQSZACIVSA-N 2 2 338.455 2.466 10 0 EEAELP CC[C@H](C(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1)[N@@H+]1CCO[C@H](CC)C1 ZINC001452612826 1105604876 /nfs/dbraw/zinc/60/48/76/1105604876.db2.gz UVWPLHXPNQDMOW-BRWVUGGUSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N1CC[NH+](C)[C@@H](C(C)(C)C)C1)[N@H+]1CCO[C@H](CC)C1 ZINC001452612826 1105604877 /nfs/dbraw/zinc/60/48/77/1105604877.db2.gz UVWPLHXPNQDMOW-BRWVUGGUSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001452612826 1105604880 /nfs/dbraw/zinc/60/48/80/1105604880.db2.gz UVWPLHXPNQDMOW-BRWVUGGUSA-N 2 2 339.524 2.065 10 0 EEAELP CC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1)[NH+]1CCO[C@H](CC)C1 ZINC001452612826 1105604883 /nfs/dbraw/zinc/60/48/83/1105604883.db2.gz UVWPLHXPNQDMOW-BRWVUGGUSA-N 2 2 339.524 2.065 10 0 EEAELP CCc1cnc(C[NH2+][C@H](C)CNC(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001480599445 1106742661 /nfs/dbraw/zinc/74/26/61/1106742661.db2.gz HWCNRJMGQJGDAQ-KDOFPFPSSA-N 2 2 344.459 2.134 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)c1 ZINC001498054168 1106849018 /nfs/dbraw/zinc/84/90/18/1106849018.db2.gz CHIFIICAIHIYJW-USXIJHARSA-N 2 2 326.444 2.425 10 0 EEAELP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)c1 ZINC001498054168 1106849029 /nfs/dbraw/zinc/84/90/29/1106849029.db2.gz CHIFIICAIHIYJW-USXIJHARSA-N 2 2 326.444 2.425 10 0 EEAELP C[C@@H](C[NH2+]C/C=C\c1ccc(Cl)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001498208357 1107087524 /nfs/dbraw/zinc/08/75/24/1107087524.db2.gz XQCBWWVBTBHESK-SFAKSCPVSA-N 2 2 332.835 2.344 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@H+](C)Cc2cnc(C)s2)c[nH+]1 ZINC001498316975 1107280361 /nfs/dbraw/zinc/28/03/61/1107280361.db2.gz PJILNINKWBUHGC-CYBMUJFWSA-N 2 2 349.504 2.328 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc2cnc(C)s2)c[nH+]1 ZINC001498316975 1107280367 /nfs/dbraw/zinc/28/03/67/1107280367.db2.gz PJILNINKWBUHGC-CYBMUJFWSA-N 2 2 349.504 2.328 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCc2ccccc2C1 ZINC001493025997 1107329926 /nfs/dbraw/zinc/32/99/26/1107329926.db2.gz XPJUYWWSKZRJCF-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)C[C@@H]1CCc2ccccc2C1 ZINC001493025997 1107329942 /nfs/dbraw/zinc/32/99/42/1107329942.db2.gz XPJUYWWSKZRJCF-MRXNPFEDSA-N 2 2 340.471 2.195 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001498500200 1107641248 /nfs/dbraw/zinc/64/12/48/1107641248.db2.gz ZTUPEBQKLZJLMM-SJLPKXTDSA-N 2 2 332.492 2.417 10 0 EEAELP C[C@H]1C[C@@H](C[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001498588455 1107768360 /nfs/dbraw/zinc/76/83/60/1107768360.db2.gz UBQUSWOLWCRECT-GJZGRUSLSA-N 2 2 344.459 2.430 10 0 EEAELP C[C@@H]([NH2+]CCCN(C)C(=O)Cc1[nH]cc[nH+]1)c1nc2ccccc2o1 ZINC001498633389 1107851974 /nfs/dbraw/zinc/85/19/74/1107851974.db2.gz OSVBSIKCJFJNGN-CYBMUJFWSA-N 2 2 341.415 2.293 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1coc(C2CC2)n1)C1CC1 ZINC001498781365 1108089128 /nfs/dbraw/zinc/08/91/28/1108089128.db2.gz MMVXBUGSMWLNBA-IAGOWNOFSA-N 2 2 346.475 2.021 10 0 EEAELP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1coc(C2CC2)n1)C1CC1 ZINC001498781365 1108089142 /nfs/dbraw/zinc/08/91/42/1108089142.db2.gz MMVXBUGSMWLNBA-IAGOWNOFSA-N 2 2 346.475 2.021 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH+](C)C1(Cc2ccccc2)CCCC1 ZINC001460735984 1110322412 /nfs/dbraw/zinc/32/24/12/1110322412.db2.gz 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Cc1cccn2cc(CC(=O)NC[C@H]3C[C@H]([NH2+]CC[C@H](C)F)C3)[nH+]c12 ZINC001479402905 1110692077 /nfs/dbraw/zinc/69/20/77/1110692077.db2.gz NYMBCOFUFHGSDQ-JYJNAYRXSA-N 2 2 346.450 2.418 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCc3c[nH+]cn3C2)CC1)c1ccccc1 ZINC001499269446 1112210072 /nfs/dbraw/zinc/21/00/72/1112210072.db2.gz UHAWUVKFJRBFQQ-WBVHZDCISA-N 2 2 338.455 2.445 10 0 EEAELP Cc1cnc([C@@H](C)[NH2+]C2(CNC(=O)CCCn3cc[nH+]c3C)CC2)o1 ZINC001499382979 1112261413 /nfs/dbraw/zinc/26/14/13/1112261413.db2.gz MGDFNQKTBAYMET-CQSZACIVSA-N 2 2 345.447 2.268 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001499420141 1112278278 /nfs/dbraw/zinc/27/82/78/1112278278.db2.gz BFSXBNDXEMMNBO-WEVVVXLNSA-N 2 2 338.455 2.305 10 0 EEAELP CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500233589 1112692724 /nfs/dbraw/zinc/69/27/24/1112692724.db2.gz HNPWIJDQNSLLDG-APWZRJJASA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001500233589 1112692727 /nfs/dbraw/zinc/69/27/27/1112692727.db2.gz HNPWIJDQNSLLDG-APWZRJJASA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2CCC[C@](C)(CNC(=O)C[NH+]3CCCC3)C2)o1 ZINC001500549712 1112939569 /nfs/dbraw/zinc/93/95/69/1112939569.db2.gz FDRMZDXODRXROT-VQIMIIECSA-N 2 2 348.491 2.358 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2CCC[C@](C)(CNC(=O)C[NH+]3CCCC3)C2)o1 ZINC001500549712 1112939573 /nfs/dbraw/zinc/93/95/73/1112939573.db2.gz FDRMZDXODRXROT-VQIMIIECSA-N 2 2 348.491 2.358 10 0 EEAELP CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001500617900 1112981028 /nfs/dbraw/zinc/98/10/28/1112981028.db2.gz YOMBZSLEWVOKSK-ZIAGYGMSSA-N 2 2 328.407 2.318 10 0 EEAELP CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001500617900 1112981031 /nfs/dbraw/zinc/98/10/31/1112981031.db2.gz YOMBZSLEWVOKSK-ZIAGYGMSSA-N 2 2 328.407 2.318 10 0 EEAELP CC(C)CC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500621158 1112983009 /nfs/dbraw/zinc/98/30/09/1112983009.db2.gz RZEPZDBVCIDVSN-AWEZNQCLSA-N 2 2 328.407 2.003 10 0 EEAELP CC(C)CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001500621158 1112983013 /nfs/dbraw/zinc/98/30/13/1112983013.db2.gz RZEPZDBVCIDVSN-AWEZNQCLSA-N 2 2 328.407 2.003 10 0 EEAELP CC[NH2+][C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)c1ccccc1CC ZINC001501022323 1113171024 /nfs/dbraw/zinc/17/10/24/1113171024.db2.gz OESBNCGPFJGBOM-FUHWJXTLSA-N 2 2 340.471 2.475 10 0 EEAELP CCCCC[NH2+]CC1CC(NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001505497726 1114024713 /nfs/dbraw/zinc/02/47/13/1114024713.db2.gz OAFBDWYBGOTLNR-UHFFFAOYSA-N 2 2 332.492 2.437 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001505511114 1114029698 /nfs/dbraw/zinc/02/96/98/1114029698.db2.gz YSNHAMMGXUPHOE-UHFFFAOYSA-N 2 2 344.434 2.405 10 0 EEAELP CCc1nocc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001505631475 1114096412 /nfs/dbraw/zinc/09/64/12/1114096412.db2.gz CZJUTNYGPWTNQP-NWDGAFQWSA-N 2 2 341.415 2.410 10 0 EEAELP COCc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cc2[nH]c[nH+]c2C)cc1 ZINC001505739609 1114161766 /nfs/dbraw/zinc/16/17/66/1114161766.db2.gz RYWAGEKATQEHKV-UONOGXRCSA-N 2 2 344.459 2.090 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1cncs1 ZINC001506014434 1114345424 /nfs/dbraw/zinc/34/54/24/1114345424.db2.gz AOIWYWPKDRGDNM-HUUCEWRRSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@@H+](C)Cc1cncs1 ZINC001506014434 1114345426 /nfs/dbraw/zinc/34/54/26/1114345426.db2.gz AOIWYWPKDRGDNM-HUUCEWRRSA-N 2 2 338.521 2.344 10 0 EEAELP CN(C(=O)[C@H]1CCn2cc[nH+]c2C1)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001507016289 1115055886 /nfs/dbraw/zinc/05/58/86/1115055886.db2.gz WBBYNLWNSYQUJA-ROUUACIJSA-N 2 2 344.503 2.462 10 0 EEAELP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]CCOC1CCC1 ZINC001567965105 1124207707 /nfs/dbraw/zinc/20/77/07/1124207707.db2.gz RLNPLKJDGLVFAA-CQSZACIVSA-N 2 2 330.432 2.230 10 0 EEAELP Cc1csc(C[NH2+]CCC2CCN(C(=O)Cn3cc[nH+]c3)CC2)n1 ZINC001568098073 1124301017 /nfs/dbraw/zinc/30/10/17/1124301017.db2.gz PJYNSMKJVILKFY-UHFFFAOYSA-N 2 2 347.488 2.067 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC001568098518 1124302266 /nfs/dbraw/zinc/30/22/66/1124302266.db2.gz FGUCHVCSFBLMAH-UHFFFAOYSA-N 2 2 347.488 2.136 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568198356 1124351043 /nfs/dbraw/zinc/35/10/43/1124351043.db2.gz NDMMXACSECSJBZ-CHWSQXEVSA-N 2 2 349.866 2.179 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(Cl)nc1 ZINC001568198356 1124351047 /nfs/dbraw/zinc/35/10/47/1124351047.db2.gz NDMMXACSECSJBZ-CHWSQXEVSA-N 2 2 349.866 2.179 10 0 EEAELP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001568386841 1124457163 /nfs/dbraw/zinc/45/71/63/1124457163.db2.gz LEBNTJKBKASIGV-DLBZAZTESA-N 2 2 332.492 2.462 10 0 EEAELP Cc1cc(C)c(C(=O)N2CCC[C@@H]([C@@H](C)[NH2+]CCCO)C2)c(C)[nH+]1 ZINC001568408722 1124478108 /nfs/dbraw/zinc/47/81/08/1124478108.db2.gz DGEIOQFBRDYVRR-NVXWUHKLSA-N 2 2 333.476 2.220 10 0 EEAELP CC(C)[C@H](CNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)nc1 ZINC001568456926 1124520909 /nfs/dbraw/zinc/52/09/09/1124520909.db2.gz BDKJENXLKMFMFV-HNNXBMFYSA-N 2 2 349.866 2.252 10 0 EEAELP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001568649271 1124661306 /nfs/dbraw/zinc/66/13/06/1124661306.db2.gz KPLYMPFVBLXMBX-DLBZAZTESA-N 2 2 340.471 2.439 10 0 EEAELP C[C@@H](CC[NH2+]C/C(Cl)=C/Cl)NC(=O)CCc1[nH+]ccn1C ZINC001568659935 1124674143 /nfs/dbraw/zinc/67/41/43/1124674143.db2.gz OROQIAUTZSQBAT-AWPPVZKDSA-N 2 2 333.263 2.156 10 0 EEAELP O=c1[nH]c(CC[NH+]2CCC([NH+]3CCCC3)CC2)nc2ccccc21 ZINC000066533713 215051563 /nfs/dbraw/zinc/05/15/63/215051563.db2.gz GZKYUTJDBZJDQX-UHFFFAOYSA-N 2 2 326.444 2.026 10 0 EEAELP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N(C)Cc2[nH+]ccn2C)cc[nH+]1 ZINC000330110734 539788367 /nfs/dbraw/zinc/78/83/67/539788367.db2.gz ALVKZSKEBYGWEW-PBHICJAKSA-N 2 2 344.463 2.462 10 0 EEAELP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423103871 283016151 /nfs/dbraw/zinc/01/61/51/283016151.db2.gz LOTMCVCCHZNSON-OALUTQOASA-N 2 2 333.451 2.283 10 0 EEAELP c1cnc(OC2CCCC2)c(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)c1 ZINC000422962293 240308579 /nfs/dbraw/zinc/30/85/79/240308579.db2.gz FFSBGWAKASCLHB-QZTJIDSGSA-N 2 2 331.460 2.260 10 0 EEAELP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCc1ccccc1Br ZINC000422835331 240251473 /nfs/dbraw/zinc/25/14/73/240251473.db2.gz YNHMDPLQVPNRDE-OCCSQVGLSA-N 2 2 327.266 2.348 10 0 EEAELP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000425362436 241142066 /nfs/dbraw/zinc/14/20/66/241142066.db2.gz UYUYBWDYHVYAPX-WMZOPIPTSA-N 2 2 336.501 2.381 10 0 EEAELP O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000449432881 242539679 /nfs/dbraw/zinc/53/96/79/242539679.db2.gz JRYZZUJCHCMAQY-QRQLOZEOSA-N 2 2 327.428 2.234 10 0 EEAELP O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000449432881 242539684 /nfs/dbraw/zinc/53/96/84/242539684.db2.gz JRYZZUJCHCMAQY-QRQLOZEOSA-N 2 2 327.428 2.234 10 0 EEAELP CCN(C(=O)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)[C@@H](C)c1ccc(F)cc1 ZINC000193647056 284154979 /nfs/dbraw/zinc/15/49/79/284154979.db2.gz FWHOFWQQEHKPQS-BHYGNILZSA-N 2 2 333.451 2.229 10 0 EEAELP CCN(C(=O)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1)[C@@H](C)c1ccc(F)cc1 ZINC000193647056 284154980 /nfs/dbraw/zinc/15/49/80/284154980.db2.gz FWHOFWQQEHKPQS-BHYGNILZSA-N 2 2 333.451 2.229 10 0 EEAELP CCN(C(=O)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1)[C@@H](C)c1ccc(F)cc1 ZINC000193647056 284154982 /nfs/dbraw/zinc/15/49/82/284154982.db2.gz FWHOFWQQEHKPQS-BHYGNILZSA-N 2 2 333.451 2.229 10 0 EEAELP CCN(C(=O)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1)[C@@H](C)c1ccc(F)cc1 ZINC000193647056 284154984 /nfs/dbraw/zinc/15/49/84/284154984.db2.gz FWHOFWQQEHKPQS-BHYGNILZSA-N 2 2 333.451 2.229 10 0 EEAELP CCOc1cc(C(=O)NCC(C)(C)[NH+]2CCC([NH+](C)C)CC2)ccn1 ZINC000095398318 218330991 /nfs/dbraw/zinc/33/09/91/218330991.db2.gz HATDQTCZZAIRQB-UHFFFAOYSA-N 2 2 348.491 2.015 10 0 EEAELP C[C@@H](CCNC(=O)c1cc(-n2cc[nH+]c2)ccn1)[NH+]1CCCCC1 ZINC000273333088 256287903 /nfs/dbraw/zinc/28/79/03/256287903.db2.gz ZARHWIZFQGTYCR-HNNXBMFYSA-N 2 2 327.432 2.262 10 0 EEAELP Cc1cc[nH+]c(N2CC[NH+](Cc3cc(-c4cnn(C)c4)no3)CC2)c1 ZINC000346195923 152845348 /nfs/dbraw/zinc/84/53/48/152845348.db2.gz WTIQMTNXHVUKCD-UHFFFAOYSA-N 2 2 338.415 2.101 10 0 EEAELP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357770290 153336269 /nfs/dbraw/zinc/33/62/69/153336269.db2.gz FEXIPALOHBAWIW-LSDHHAIUSA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357770290 153336276 /nfs/dbraw/zinc/33/62/76/153336276.db2.gz FEXIPALOHBAWIW-LSDHHAIUSA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357770290 153336278 /nfs/dbraw/zinc/33/62/78/153336278.db2.gz FEXIPALOHBAWIW-LSDHHAIUSA-N 2 2 333.480 2.221 10 0 EEAELP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357770290 153336283 /nfs/dbraw/zinc/33/62/83/153336283.db2.gz FEXIPALOHBAWIW-LSDHHAIUSA-N 2 2 333.480 2.221 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377392791 154178484 /nfs/dbraw/zinc/17/84/84/154178484.db2.gz NIUSMVRKJFDXAP-ZBFHGGJFSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377392791 154178488 /nfs/dbraw/zinc/17/84/88/154178488.db2.gz NIUSMVRKJFDXAP-ZBFHGGJFSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377392791 154178491 /nfs/dbraw/zinc/17/84/91/154178491.db2.gz NIUSMVRKJFDXAP-ZBFHGGJFSA-N 2 2 341.459 2.087 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377392791 154178495 /nfs/dbraw/zinc/17/84/95/154178495.db2.gz NIUSMVRKJFDXAP-ZBFHGGJFSA-N 2 2 341.459 2.087 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000119119243 159370823 /nfs/dbraw/zinc/37/08/23/159370823.db2.gz BVMKFACRUHOMPQ-HZPDHXFCSA-N 2 2 333.480 2.165 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000119119243 159370825 /nfs/dbraw/zinc/37/08/25/159370825.db2.gz BVMKFACRUHOMPQ-HZPDHXFCSA-N 2 2 333.480 2.165 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245418130 160232923 /nfs/dbraw/zinc/23/29/23/160232923.db2.gz GKESAKGPSMOWEI-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245418130 160232925 /nfs/dbraw/zinc/23/29/25/160232925.db2.gz GKESAKGPSMOWEI-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245418130 160232927 /nfs/dbraw/zinc/23/29/27/160232927.db2.gz GKESAKGPSMOWEI-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245418130 160232929 /nfs/dbraw/zinc/23/29/29/160232929.db2.gz GKESAKGPSMOWEI-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000245422479 160234012 /nfs/dbraw/zinc/23/40/12/160234012.db2.gz IWFPDPBTHRZSRS-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000245422479 160234014 /nfs/dbraw/zinc/23/40/14/160234014.db2.gz IWFPDPBTHRZSRS-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000245422479 160234015 /nfs/dbraw/zinc/23/40/15/160234015.db2.gz IWFPDPBTHRZSRS-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2C(=O)OC)[C@@H](C)C1 ZINC000245422479 160234017 /nfs/dbraw/zinc/23/40/17/160234017.db2.gz IWFPDPBTHRZSRS-YOEHRIQHSA-N 2 2 347.459 2.074 10 0 EEAELP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246268145 160271654 /nfs/dbraw/zinc/27/16/54/160271654.db2.gz VNMHQGJZNXVLJG-LSDHHAIUSA-N 2 2 349.441 2.451 10 0 EEAELP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246268145 160271656 /nfs/dbraw/zinc/27/16/56/160271656.db2.gz VNMHQGJZNXVLJG-LSDHHAIUSA-N 2 2 349.441 2.451 10 0 EEAELP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246268145 160271658 /nfs/dbraw/zinc/27/16/58/160271658.db2.gz VNMHQGJZNXVLJG-LSDHHAIUSA-N 2 2 349.441 2.451 10 0 EEAELP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000246268145 160271660 /nfs/dbraw/zinc/27/16/60/160271660.db2.gz VNMHQGJZNXVLJG-LSDHHAIUSA-N 2 2 349.441 2.451 10 0 EEAELP COc1cc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000246710824 160290765 /nfs/dbraw/zinc/29/07/65/160290765.db2.gz FGGGZZPEIJBTQZ-KBXCAEBGSA-N 2 2 347.459 2.058 10 0 EEAELP COc1cc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000246710824 160290766 /nfs/dbraw/zinc/29/07/66/160290766.db2.gz FGGGZZPEIJBTQZ-KBXCAEBGSA-N 2 2 347.459 2.058 10 0 EEAELP COc1cc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000246710824 160290768 /nfs/dbraw/zinc/29/07/68/160290768.db2.gz FGGGZZPEIJBTQZ-KBXCAEBGSA-N 2 2 347.459 2.058 10 0 EEAELP COc1cc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(OC)c1 ZINC000246710824 160290770 /nfs/dbraw/zinc/29/07/70/160290770.db2.gz FGGGZZPEIJBTQZ-KBXCAEBGSA-N 2 2 347.459 2.058 10 0 EEAELP COc1cccc(F)c1[C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000341996515 161030639 /nfs/dbraw/zinc/03/06/39/161030639.db2.gz RKDOVEKCRBGMAH-CYBMUJFWSA-N 2 2 349.450 2.228 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000367799390 166004903 /nfs/dbraw/zinc/00/49/03/166004903.db2.gz GAJWVPAHXICBEU-GJZGRUSLSA-N 2 2 333.480 2.085 10 0 EEAELP c1[nH]c2nccnc2c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000368221589 166071916 /nfs/dbraw/zinc/07/19/16/166071916.db2.gz GRAXQYKRYXYEIW-MRXNPFEDSA-N 2 2 336.443 2.306 10 0 EEAELP c1[nH]c2nccnc2c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000368221589 166071919 /nfs/dbraw/zinc/07/19/19/166071919.db2.gz GRAXQYKRYXYEIW-MRXNPFEDSA-N 2 2 336.443 2.306 10 0 EEAELP Fc1ccc(-n2cc(C[NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)nn2)c(Cl)c1 ZINC000368221527 166072106 /nfs/dbraw/zinc/07/21/06/166072106.db2.gz IKAFEZAWYWGHBW-LLVKDONJSA-N 2 2 346.797 2.430 10 0 EEAELP Fc1ccc(-n2cc(C[NH2+][C@@H]3CCc4[nH]c[nH+]c4C3)nn2)c(Cl)c1 ZINC000368221527 166072108 /nfs/dbraw/zinc/07/21/08/166072108.db2.gz IKAFEZAWYWGHBW-LLVKDONJSA-N 2 2 346.797 2.430 10 0 EEAELP c1cc(C2CC2)ccc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000365087997 165375024 /nfs/dbraw/zinc/37/50/24/165375024.db2.gz ZTAUVYQBLLKBTN-UHFFFAOYSA-N 2 2 343.515 2.450 10 0 EEAELP c1cc(C2CC2)ccc1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000365087997 165375026 /nfs/dbraw/zinc/37/50/26/165375026.db2.gz ZTAUVYQBLLKBTN-UHFFFAOYSA-N 2 2 343.515 2.450 10 0 EEAELP C[C@@H]1CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245745124 274302205 /nfs/dbraw/zinc/30/22/05/274302205.db2.gz XVRFFFITHUETAE-RHSMWYFYSA-N 2 2 338.411 2.062 10 0 EEAELP C[C@@H]1CC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245745124 274302207 /nfs/dbraw/zinc/30/22/07/274302207.db2.gz XVRFFFITHUETAE-RHSMWYFYSA-N 2 2 338.411 2.062 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000278585642 274377603 /nfs/dbraw/zinc/37/76/03/274377603.db2.gz BYLBYZCRDPDPJD-RHSMWYFYSA-N 2 2 334.370 2.100 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000278585642 274377605 /nfs/dbraw/zinc/37/76/05/274377605.db2.gz BYLBYZCRDPDPJD-RHSMWYFYSA-N 2 2 334.370 2.100 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)C1CC1 ZINC000289695620 275140020 /nfs/dbraw/zinc/14/00/20/275140020.db2.gz FDOTVPBEXAOCAZ-HNNXBMFYSA-N 2 2 340.414 2.263 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC(Oc2ccc(F)cc2F)CC1)C1CC1 ZINC000289695620 275140021 /nfs/dbraw/zinc/14/00/21/275140021.db2.gz FDOTVPBEXAOCAZ-HNNXBMFYSA-N 2 2 340.414 2.263 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2c[nH+]ccc2-n2cccn2)C1 ZINC000291902456 275351645 /nfs/dbraw/zinc/35/16/45/275351645.db2.gz XGLICDDNXDDWRK-KRWDZBQOSA-N 2 2 331.395 2.418 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2c[nH+]ccc2-n2cccn2)C1 ZINC000291902456 275351646 /nfs/dbraw/zinc/35/16/46/275351646.db2.gz XGLICDDNXDDWRK-KRWDZBQOSA-N 2 2 331.395 2.418 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292208832 275394264 /nfs/dbraw/zinc/39/42/64/275394264.db2.gz TVNPQGSJXXHNIK-FXAWDEMLSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292208832 275394266 /nfs/dbraw/zinc/39/42/66/275394266.db2.gz TVNPQGSJXXHNIK-FXAWDEMLSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292208832 275394268 /nfs/dbraw/zinc/39/42/68/275394268.db2.gz TVNPQGSJXXHNIK-FXAWDEMLSA-N 2 2 329.488 2.070 10 0 EEAELP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292208832 275394271 /nfs/dbraw/zinc/39/42/71/275394271.db2.gz TVNPQGSJXXHNIK-FXAWDEMLSA-N 2 2 329.488 2.070 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371874 278198095 /nfs/dbraw/zinc/19/80/95/278198095.db2.gz MBSNQFLKSZVWBZ-KBXCAEBGSA-N 2 2 333.501 2.097 10 0 EEAELP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420371874 278198097 /nfs/dbraw/zinc/19/80/97/278198097.db2.gz MBSNQFLKSZVWBZ-KBXCAEBGSA-N 2 2 333.501 2.097 10 0 EEAELP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261953304 289364563 /nfs/dbraw/zinc/36/45/63/289364563.db2.gz OPEUKVQKIFLAMJ-WJFTUGDTSA-N 2 2 335.467 2.175 10 0 EEAELP Clc1cccc2c1CCN(CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C2 ZINC000423053276 294113504 /nfs/dbraw/zinc/11/35/04/294113504.db2.gz AGLVHZZZBNQCEB-OALUTQOASA-N 2 2 349.906 2.055 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000297210609 294181211 /nfs/dbraw/zinc/18/12/11/294181211.db2.gz WUAKANKLJXKKSV-HNNXBMFYSA-N 2 2 327.432 2.049 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000333978943 312223426 /nfs/dbraw/zinc/22/34/26/312223426.db2.gz ZZWNTPNSIOFEOZ-RDJZCZTQSA-N 2 2 332.835 2.407 10 0 EEAELP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000333978943 312223429 /nfs/dbraw/zinc/22/34/29/312223429.db2.gz ZZWNTPNSIOFEOZ-RDJZCZTQSA-N 2 2 332.835 2.407 10 0 EEAELP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414831179 313098793 /nfs/dbraw/zinc/09/87/93/313098793.db2.gz MTWRSHPQHZSJMU-VQIMIIECSA-N 2 2 325.456 2.414 10 0 EEAELP CN(C)c1[nH+]cc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)n1C ZINC000425377756 314382418 /nfs/dbraw/zinc/38/24/18/314382418.db2.gz HZWWATNKOVEYSS-UHFFFAOYSA-N 2 2 349.429 2.477 10 0 EEAELP CN(C)c1[nH+]cc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)n1C ZINC000425377756 314382420 /nfs/dbraw/zinc/38/24/20/314382420.db2.gz HZWWATNKOVEYSS-UHFFFAOYSA-N 2 2 349.429 2.477 10 0 EEAELP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2CCOC)c(F)cc1OC ZINC000527651395 317236472 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EEAELP Cn1nccc1[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961778 319133208 /nfs/dbraw/zinc/13/32/08/319133208.db2.gz YWUAZRIVXJKRTJ-MSOLQXFVSA-N 2 2 340.471 2.240 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000565346957 319174369 /nfs/dbraw/zinc/17/43/69/319174369.db2.gz DNCNVWDBLWZHCA-MRXNPFEDSA-N 2 2 333.480 2.499 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000565346957 319174372 /nfs/dbraw/zinc/17/43/72/319174372.db2.gz DNCNVWDBLWZHCA-MRXNPFEDSA-N 2 2 333.480 2.499 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)Cc1ccccc1C(F)(F)F ZINC000567043887 319342573 /nfs/dbraw/zinc/34/25/73/319342573.db2.gz ZRXPTWGBUWRYND-CHWSQXEVSA-N 2 2 339.361 2.479 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)Cc1ccccc1C(F)(F)F ZINC000567043887 319342574 /nfs/dbraw/zinc/34/25/74/319342574.db2.gz ZRXPTWGBUWRYND-CHWSQXEVSA-N 2 2 339.361 2.479 10 0 EEAELP C[C@@H]1C[C@@H](NC(=O)N(CC[NH3+])CCc2ccccc2)c2[nH+]ccn21 ZINC000567097063 319347665 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HEYHOZJJJZABHP-OAHLLOKOSA-N 2 2 347.484 2.234 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580462233 324068896 /nfs/dbraw/zinc/06/88/96/324068896.db2.gz ULFQMHBCJCBJGQ-DOTOQJQBSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580462233 324068899 /nfs/dbraw/zinc/06/88/99/324068899.db2.gz ULFQMHBCJCBJGQ-DOTOQJQBSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580462233 324068904 /nfs/dbraw/zinc/06/89/04/324068904.db2.gz ULFQMHBCJCBJGQ-DOTOQJQBSA-N 2 2 326.868 2.068 10 0 EEAELP COCC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000580462233 324068906 /nfs/dbraw/zinc/06/89/06/324068906.db2.gz ULFQMHBCJCBJGQ-DOTOQJQBSA-N 2 2 326.868 2.068 10 0 EEAELP c1cncc(C[N@H+](Cc2cccc3c2OCO3)C[C@@H]2CC[NH2+]C2)c1 ZINC000328637445 465083272 /nfs/dbraw/zinc/08/32/72/465083272.db2.gz OPXIXSKBBCVNTR-MRXNPFEDSA-N 2 2 325.412 2.422 10 0 EEAELP c1cncc(C[N@@H+](Cc2cccc3c2OCO3)C[C@@H]2CC[NH2+]C2)c1 ZINC000328637445 465083276 /nfs/dbraw/zinc/08/32/76/465083276.db2.gz OPXIXSKBBCVNTR-MRXNPFEDSA-N 2 2 325.412 2.422 10 0 EEAELP CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3cncn3C)CC2)c[nH+]1 ZINC000328654428 465090922 /nfs/dbraw/zinc/09/09/22/465090922.db2.gz XKQPAJRGHGOKJH-OAHLLOKOSA-N 2 2 328.464 2.348 10 0 EEAELP CN(C)c1ccc(N[C@@H]2CCC[N@@H+](Cc3cncn3C)CC2)c[nH+]1 ZINC000328654428 465090928 /nfs/dbraw/zinc/09/09/28/465090928.db2.gz XKQPAJRGHGOKJH-OAHLLOKOSA-N 2 2 328.464 2.348 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000296177179 465106066 /nfs/dbraw/zinc/10/60/66/465106066.db2.gz LQZNEPHWUJUABR-UHFFFAOYSA-N 2 2 341.459 2.498 10 0 EEAELP c1ccc(C[NH+]2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)nc1 ZINC000341439946 465167762 /nfs/dbraw/zinc/16/77/62/465167762.db2.gz JHTBMXVLLIYCQG-SFHVURJKSA-N 2 2 339.439 2.476 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435106 465272024 /nfs/dbraw/zinc/27/20/24/465272024.db2.gz VIGBACJZRHGKFU-FQEVSTJZSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339435106 465272029 /nfs/dbraw/zinc/27/20/29/465272029.db2.gz VIGBACJZRHGKFU-FQEVSTJZSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339435106 465272036 /nfs/dbraw/zinc/27/20/36/465272036.db2.gz VIGBACJZRHGKFU-FQEVSTJZSA-N 2 2 329.488 2.453 10 0 EEAELP CCN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339435106 465272041 /nfs/dbraw/zinc/27/20/41/465272041.db2.gz VIGBACJZRHGKFU-FQEVSTJZSA-N 2 2 329.488 2.453 10 0 EEAELP Cn1cc[nH+]c1[C@@H]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000339550372 465342163 /nfs/dbraw/zinc/34/21/63/465342163.db2.gz GHUWEGJHRFCJAY-HWOWSKLDSA-N 2 2 333.480 2.039 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000298325704 465363965 /nfs/dbraw/zinc/36/39/65/465363965.db2.gz FDCOCQHFQDFCFF-UHFFFAOYSA-N 2 2 329.448 2.007 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000298458154 465401028 /nfs/dbraw/zinc/40/10/28/465401028.db2.gz NZOLKJSOLKUUGD-UHFFFAOYSA-N 2 2 333.436 2.160 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000298458154 465401030 /nfs/dbraw/zinc/40/10/30/465401030.db2.gz NZOLKJSOLKUUGD-UHFFFAOYSA-N 2 2 333.436 2.160 10 0 EEAELP Cc1ccccc1OCCC[NH+]1CCN(Cc2[nH+]ccn2C)CC1 ZINC000113253711 462581721 /nfs/dbraw/zinc/58/17/21/462581721.db2.gz GZOPRERTRKUQCU-UHFFFAOYSA-N 2 2 328.460 2.315 10 0 EEAELP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000113405605 462595016 /nfs/dbraw/zinc/59/50/16/462595016.db2.gz CNTRPAUSDOVPRA-INIZCTEOSA-N 2 2 333.480 2.211 10 0 EEAELP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc[nH+]c1N(C)C ZINC000113405605 462595019 /nfs/dbraw/zinc/59/50/19/462595019.db2.gz CNTRPAUSDOVPRA-INIZCTEOSA-N 2 2 333.480 2.211 10 0 EEAELP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000152987818 462603590 /nfs/dbraw/zinc/60/35/90/462603590.db2.gz ZCHPEHZMKPROAC-GOSISDBHSA-N 2 2 346.475 2.366 10 0 EEAELP C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)C[C@H]1C ZINC000074767404 462632456 /nfs/dbraw/zinc/63/24/56/462632456.db2.gz HYHNQSDWUXNERH-IAGOWNOFSA-N 2 2 336.524 2.234 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1NC(C)=O ZINC000153279039 462634051 /nfs/dbraw/zinc/63/40/51/462634051.db2.gz ICVWQMCYYGYCKT-CABCVRRESA-N 2 2 349.475 2.273 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000089635534 462700495 /nfs/dbraw/zinc/70/04/95/462700495.db2.gz JUYZFSDHPXSOJT-BQFCYCMXSA-N 2 2 338.517 2.310 10 0 EEAELP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000089635534 462700499 /nfs/dbraw/zinc/70/04/99/462700499.db2.gz JUYZFSDHPXSOJT-BQFCYCMXSA-N 2 2 338.517 2.310 10 0 EEAELP Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003676 462763635 /nfs/dbraw/zinc/76/36/35/462763635.db2.gz WNVMKILIKCFFKT-GOSISDBHSA-N 2 2 340.471 2.299 10 0 EEAELP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000090003676 462763640 /nfs/dbraw/zinc/76/36/40/462763640.db2.gz WNVMKILIKCFFKT-GOSISDBHSA-N 2 2 340.471 2.299 10 0 EEAELP C[C@@H]1C[C@@H](C)C[NH+](C2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1 ZINC000065476274 462778579 /nfs/dbraw/zinc/77/85/79/462778579.db2.gz WYQXHZNBAPHNLX-ZIAGYGMSSA-N 2 2 328.464 2.310 10 0 EEAELP CCc1ccc(C[NH+]2CCN(C(=O)NCCn3cc[nH+]c3)CC2)s1 ZINC000154835565 462813745 /nfs/dbraw/zinc/81/37/45/462813745.db2.gz CITXCDWBPHYVTD-UHFFFAOYSA-N 2 2 347.488 2.034 10 0 EEAELP C[C@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000095466002 463090986 /nfs/dbraw/zinc/09/09/86/463090986.db2.gz KEYNKXAIHAJYQA-OAGGEKHMSA-N 2 2 342.443 2.159 10 0 EEAELP Cn1cc([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)Cc2ccccc2)cn1 ZINC000069631905 463293068 /nfs/dbraw/zinc/29/30/68/463293068.db2.gz KABBRKRJNRVKFT-MOPGFXCFSA-N 2 2 328.460 2.050 10 0 EEAELP Cn1cc([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)Cc2ccccc2)cn1 ZINC000069631905 463293074 /nfs/dbraw/zinc/29/30/74/463293074.db2.gz KABBRKRJNRVKFT-MOPGFXCFSA-N 2 2 328.460 2.050 10 0 EEAELP Cn1cc([C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)Cc2ccccc2)cn1 ZINC000069631905 463293079 /nfs/dbraw/zinc/29/30/79/463293079.db2.gz KABBRKRJNRVKFT-MOPGFXCFSA-N 2 2 328.460 2.050 10 0 EEAELP Cn1cc([C@@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000069631905 463293081 /nfs/dbraw/zinc/29/30/81/463293081.db2.gz KABBRKRJNRVKFT-MOPGFXCFSA-N 2 2 328.460 2.050 10 0 EEAELP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000069775526 463323314 /nfs/dbraw/zinc/32/33/14/463323314.db2.gz IMPHZJPDRCGKSX-SFHVURJKSA-N 2 2 326.444 2.487 10 0 EEAELP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000069775526 463323319 /nfs/dbraw/zinc/32/33/19/463323319.db2.gz IMPHZJPDRCGKSX-SFHVURJKSA-N 2 2 326.444 2.487 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2cccnc2Cl)CC1 ZINC000105875830 463484234 /nfs/dbraw/zinc/48/42/34/463484234.db2.gz LEHSWQLLHXFSBQ-UHFFFAOYSA-N 2 2 347.850 2.362 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000072255121 463488270 /nfs/dbraw/zinc/48/82/70/463488270.db2.gz RXDQCCKJMNCKLJ-SJLPKXTDSA-N 2 2 326.444 2.316 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000072255121 463488274 /nfs/dbraw/zinc/48/82/74/463488274.db2.gz RXDQCCKJMNCKLJ-SJLPKXTDSA-N 2 2 326.444 2.316 10 0 EEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000106456162 463517859 /nfs/dbraw/zinc/51/78/59/463517859.db2.gz LYCNSQMGLNQCHL-SFHVURJKSA-N 2 2 336.439 2.166 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@@H]3CCO[C@@H]3c3cnn(C)c3)c[nH+]c12 ZINC000084247945 463587837 /nfs/dbraw/zinc/58/78/37/463587837.db2.gz MOLORGCCXPMHKE-YOEHRIQHSA-N 2 2 325.416 2.244 10 0 EEAELP C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000152248468 463666175 /nfs/dbraw/zinc/66/61/75/463666175.db2.gz NWQGFINCRVZKQX-IAGOWNOFSA-N 2 2 333.480 2.352 10 0 EEAELP Cc1ccc(C[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000044871047 463697041 /nfs/dbraw/zinc/69/70/41/463697041.db2.gz GUAYQSORRROQMK-UHFFFAOYSA-N 2 2 342.443 2.154 10 0 EEAELP Cc1ccc(C[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000044871047 463697044 /nfs/dbraw/zinc/69/70/44/463697044.db2.gz GUAYQSORRROQMK-UHFFFAOYSA-N 2 2 342.443 2.154 10 0 EEAELP O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)N1CC[NH+](Cc2ccco2)CC1 ZINC000177532523 463729612 /nfs/dbraw/zinc/72/96/12/463729612.db2.gz ARCOVYQHWWRYJC-IAGOWNOFSA-N 2 2 331.460 2.046 10 0 EEAELP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268804215 463790180 /nfs/dbraw/zinc/79/01/80/463790180.db2.gz BXSKGPNWEWULMD-NQIIRXRSSA-N 3 2 345.531 2.333 10 0 EEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268804215 463790184 /nfs/dbraw/zinc/79/01/84/463790184.db2.gz BXSKGPNWEWULMD-NQIIRXRSSA-N 3 2 345.531 2.333 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc21 ZINC000195515717 464064275 /nfs/dbraw/zinc/06/42/75/464064275.db2.gz KEIVZDRYKHDCCI-INIZCTEOSA-N 2 2 336.439 2.405 10 0 EEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc21 ZINC000195515717 464064280 /nfs/dbraw/zinc/06/42/80/464064280.db2.gz KEIVZDRYKHDCCI-INIZCTEOSA-N 2 2 336.439 2.405 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnnn2Cc2ccccc2)[C@H](C)C1 ZINC000292665392 464302942 /nfs/dbraw/zinc/30/29/42/464302942.db2.gz YZNCUGKISBIKLG-VQIMIIECSA-N 2 2 327.476 2.489 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnnn2Cc2ccccc2)[C@H](C)C1 ZINC000292665392 464302948 /nfs/dbraw/zinc/30/29/48/464302948.db2.gz YZNCUGKISBIKLG-VQIMIIECSA-N 2 2 327.476 2.489 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnnn2Cc2ccccc2)[C@H](C)C1 ZINC000292665392 464302950 /nfs/dbraw/zinc/30/29/50/464302950.db2.gz YZNCUGKISBIKLG-VQIMIIECSA-N 2 2 327.476 2.489 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnnn2Cc2ccccc2)[C@H](C)C1 ZINC000292665392 464302956 /nfs/dbraw/zinc/30/29/56/464302956.db2.gz YZNCUGKISBIKLG-VQIMIIECSA-N 2 2 327.476 2.489 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC(C)(C)OC2(C)C)nc[nH+]1 ZINC000180569524 464338293 /nfs/dbraw/zinc/33/82/93/464338293.db2.gz XNDWRHGLNFDUMI-KGLIPLIRSA-N 2 2 333.480 2.423 10 0 EEAELP CC(C)[NH+]1CCC(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000174640499 464432384 /nfs/dbraw/zinc/43/23/84/464432384.db2.gz FGVSBSVCDXGTKG-UHFFFAOYSA-N 2 2 330.476 2.287 10 0 EEAELP O=C([C@@H]1CCCC[N@@H+]1Cc1ccncc1)N1CCC[NH+]2CCC[C@H]2C1 ZINC000242155931 464456409 /nfs/dbraw/zinc/45/64/09/464456409.db2.gz WUKSVWTTZNKXDU-OALUTQOASA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@@H]1CCCC[N@H+]1Cc1ccncc1)N1CCC[NH+]2CCC[C@H]2C1 ZINC000242155931 464456415 /nfs/dbraw/zinc/45/64/15/464456415.db2.gz WUKSVWTTZNKXDU-OALUTQOASA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000242155931 464456422 /nfs/dbraw/zinc/45/64/22/464456422.db2.gz WUKSVWTTZNKXDU-OALUTQOASA-N 2 2 342.487 2.133 10 0 EEAELP O=C([C@@H]1CCCC[NH+]1Cc1ccncc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000242155931 464456429 /nfs/dbraw/zinc/45/64/29/464456429.db2.gz WUKSVWTTZNKXDU-OALUTQOASA-N 2 2 342.487 2.133 10 0 EEAELP CCC[N@H+](CC)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175299829 464521733 /nfs/dbraw/zinc/52/17/33/464521733.db2.gz ACUJFOWTQYFEJP-UHFFFAOYSA-N 2 2 343.475 2.463 10 0 EEAELP CCC[N@@H+](CC)CCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000175299829 464521736 /nfs/dbraw/zinc/52/17/36/464521736.db2.gz ACUJFOWTQYFEJP-UHFFFAOYSA-N 2 2 343.475 2.463 10 0 EEAELP C[C@H]1CCCN(c2cc(N3CC[NH+](C4CCOCC4)CC3)nc[nH+]2)C1 ZINC000176742732 464838292 /nfs/dbraw/zinc/83/82/92/464838292.db2.gz QBPAWLQWJVKMTP-INIZCTEOSA-N 2 2 345.491 2.014 10 0 EEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2cccc(CO)c2)nc[nH+]1 ZINC000183292603 464844783 /nfs/dbraw/zinc/84/47/83/464844783.db2.gz DSZDVQWPUCCMMJ-RHSMWYFYSA-N 2 2 341.459 2.330 10 0 EEAELP Cn1ncc2c1nc(NC1CC[NH+](Cc3ccccc3)CC1)[nH+]c2N ZINC000276301392 464882769 /nfs/dbraw/zinc/88/27/69/464882769.db2.gz RETLLMKCKYPLOA-UHFFFAOYSA-N 2 2 337.431 2.022 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C1CCCC1 ZINC000184660454 465015294 /nfs/dbraw/zinc/01/52/94/465015294.db2.gz SVPRTYMWDNJKAP-CVEARBPZSA-N 2 2 330.476 2.287 10 0 EEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000579930764 468436935 /nfs/dbraw/zinc/43/69/35/468436935.db2.gz GRHRKBUEUPSFEE-CALCHBBNSA-N 2 2 343.475 2.108 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000366798828 465941880 /nfs/dbraw/zinc/94/18/80/465941880.db2.gz JAVVHVDKMFHXTP-KRWDZBQOSA-N 2 2 339.443 2.134 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000366798828 465941886 /nfs/dbraw/zinc/94/18/86/465941886.db2.gz JAVVHVDKMFHXTP-KRWDZBQOSA-N 2 2 339.443 2.134 10 0 EEAELP COC(=O)c1ccc(C[N@H+](C)CCC[NH+](C)Cc2ccco2)nc1 ZINC000353556059 465973899 /nfs/dbraw/zinc/97/38/99/465973899.db2.gz QZJWWMHBSPLPPA-UHFFFAOYSA-N 2 2 331.416 2.415 10 0 EEAELP COC(=O)c1ccc(C[N@@H+](C)CCC[NH+](C)Cc2ccco2)nc1 ZINC000353556059 465973906 /nfs/dbraw/zinc/97/39/06/465973906.db2.gz QZJWWMHBSPLPPA-UHFFFAOYSA-N 2 2 331.416 2.415 10 0 EEAELP COC(=O)c1ccc(C[NH+](C)CCC[N@H+](C)Cc2ccco2)nc1 ZINC000353556059 465973909 /nfs/dbraw/zinc/97/39/09/465973909.db2.gz QZJWWMHBSPLPPA-UHFFFAOYSA-N 2 2 331.416 2.415 10 0 EEAELP COC(=O)c1ccc(C[NH+](C)CCC[N@@H+](C)Cc2ccco2)nc1 ZINC000353556059 465973917 /nfs/dbraw/zinc/97/39/17/465973917.db2.gz QZJWWMHBSPLPPA-UHFFFAOYSA-N 2 2 331.416 2.415 10 0 EEAELP Cc1nc(N2CCC[N@@H+](Cc3cnn(C)c3)CC2)c2c([nH+]1)CCCC2 ZINC000302053693 466088657 /nfs/dbraw/zinc/08/86/57/466088657.db2.gz PJPIWIOTDUZPLI-UHFFFAOYSA-N 2 2 340.475 2.110 10 0 EEAELP Cc1nc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)c2c([nH+]1)CCCC2 ZINC000302053693 466088658 /nfs/dbraw/zinc/08/86/58/466088658.db2.gz PJPIWIOTDUZPLI-UHFFFAOYSA-N 2 2 340.475 2.110 10 0 EEAELP CC[C@@H](Cn1cncn1)[NH2+]C[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000340463132 466108868 /nfs/dbraw/zinc/10/88/68/466108868.db2.gz NXSFCXXADLKGIK-HKUYNNGSSA-N 2 2 343.475 2.492 10 0 EEAELP CC(C)(CNC(=O)N1CCC(c2c[nH+]c[nH]2)CC1)C[NH+]1CCCC1 ZINC000555362997 468473789 /nfs/dbraw/zinc/47/37/89/468473789.db2.gz VYBIOQBUICVHRW-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP CC(C)(CNC(=O)N1CCC(c2c[nH]c[nH+]2)CC1)C[NH+]1CCCC1 ZINC000555362997 468473792 /nfs/dbraw/zinc/47/37/92/468473792.db2.gz VYBIOQBUICVHRW-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP C[C@@H]1C[N@H+](CCN2CC[NH+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250113 466216317 /nfs/dbraw/zinc/21/63/17/466216317.db2.gz FJSSVFANSZVSGS-RBUKOAKNSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@@H]1C[N@@H+](CCN2CC[NH+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250113 466216324 /nfs/dbraw/zinc/21/63/24/466216324.db2.gz FJSSVFANSZVSGS-RBUKOAKNSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@@H]1C[NH+](CCN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250113 466216330 /nfs/dbraw/zinc/21/63/30/466216330.db2.gz FJSSVFANSZVSGS-RBUKOAKNSA-N 2 2 331.504 2.304 10 0 EEAELP C[C@@H]1C[NH+](CCN2CC[N@@H+](Cc3ccccc3)CC[C@@H]2C)CCO1 ZINC000367250113 466216338 /nfs/dbraw/zinc/21/63/38/466216338.db2.gz FJSSVFANSZVSGS-RBUKOAKNSA-N 2 2 331.504 2.304 10 0 EEAELP COc1cccc([C@H]2[C@@H]([NH2+]CCn3cc[nH+]c3)CCN2C2CC2)c1 ZINC000367252420 466217565 /nfs/dbraw/zinc/21/75/65/466217565.db2.gz MVAXILPTXPZMRG-OALUTQOASA-N 2 2 326.444 2.459 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCc2ccccc2C1 ZINC000361967961 466445627 /nfs/dbraw/zinc/44/56/27/466445627.db2.gz XLEWVEBCGCEWGN-UHFFFAOYSA-N 2 2 344.503 2.123 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N1CCc2ccccc2C1 ZINC000361967961 466445633 /nfs/dbraw/zinc/44/56/33/466445633.db2.gz XLEWVEBCGCEWGN-UHFFFAOYSA-N 2 2 344.503 2.123 10 0 EEAELP Cc1ccc(C2CC[NH+](CC(=O)NCC(=O)OC(C)(C)C)CC2)c[nH+]1 ZINC000363651410 466534820 /nfs/dbraw/zinc/53/48/20/466534820.db2.gz KWTOJUQAMJTJSG-UHFFFAOYSA-N 2 2 347.459 2.027 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)CCC2 ZINC000332718545 466556389 /nfs/dbraw/zinc/55/63/89/466556389.db2.gz VHLBCRWZKNJCJA-BPUTZDHNSA-N 2 2 333.480 2.051 10 0 EEAELP Cc1cn2c([nH+]1)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)CCC2 ZINC000332718545 466556396 /nfs/dbraw/zinc/55/63/96/466556396.db2.gz VHLBCRWZKNJCJA-BPUTZDHNSA-N 2 2 333.480 2.051 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000358233410 466559849 /nfs/dbraw/zinc/55/98/49/466559849.db2.gz DPAHBQUCVMWKIZ-HFAKWTLXSA-N 2 2 325.815 2.124 10 0 EEAELP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1cccc(NS(C)(=O)=O)c1 ZINC000423251520 466704099 /nfs/dbraw/zinc/70/40/99/466704099.db2.gz WNEARMVVJDFYFP-GUYCJALGSA-N 2 2 333.457 2.409 10 0 EEAELP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423543408 466770609 /nfs/dbraw/zinc/77/06/09/466770609.db2.gz BTQNJSDPNVZVAZ-BBRMVZONSA-N 2 2 325.478 2.241 10 0 EEAELP c1ccc(N2CC[NH+](CCC[N@H+]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000375688048 466861883 /nfs/dbraw/zinc/86/18/83/466861883.db2.gz ILLXSEMCZLLXGI-FQEVSTJZSA-N 2 2 329.488 2.310 10 0 EEAELP OC[C@@H]1CCCN(c2cc(NC3CC([NH+]4CCCCC4)C3)nc[nH+]2)C1 ZINC000373671519 466883393 /nfs/dbraw/zinc/88/33/93/466883393.db2.gz KOYIKTBWXMBYGY-KLAILNCOSA-N 2 2 345.491 2.114 10 0 EEAELP OC[C@@H]1CCCN(c2cc(NC3CC([NH+]4CCCCC4)C3)[nH+]cn2)C1 ZINC000373671519 466883399 /nfs/dbraw/zinc/88/33/99/466883399.db2.gz KOYIKTBWXMBYGY-KLAILNCOSA-N 2 2 345.491 2.114 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000412032450 466971743 /nfs/dbraw/zinc/97/17/43/466971743.db2.gz CDSPNLPXJHXNFM-HOTGVXAUSA-N 2 2 330.476 2.239 10 0 EEAELP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412032450 466971746 /nfs/dbraw/zinc/97/17/46/466971746.db2.gz CDSPNLPXJHXNFM-HOTGVXAUSA-N 2 2 330.476 2.239 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H]([NH3+])C2CC2)c(C)c1 ZINC000417929285 466989402 /nfs/dbraw/zinc/98/94/02/466989402.db2.gz ILBUPPXOVICESO-QZTJIDSGSA-N 2 2 341.459 2.278 10 0 EEAELP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417939379 466995335 /nfs/dbraw/zinc/99/53/35/466995335.db2.gz KCJZALWBPHSEAZ-ONERCXAPSA-N 2 2 342.846 2.118 10 0 EEAELP C[C@H](C[NH3+])CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417939379 466995340 /nfs/dbraw/zinc/99/53/40/466995340.db2.gz KCJZALWBPHSEAZ-ONERCXAPSA-N 2 2 342.846 2.118 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417944129 466997875 /nfs/dbraw/zinc/99/78/75/466997875.db2.gz PPBDBFHWJYVZBU-MISXLKTNSA-N 2 2 342.846 2.259 10 0 EEAELP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417944129 466997880 /nfs/dbraw/zinc/99/78/80/466997880.db2.gz PPBDBFHWJYVZBU-MISXLKTNSA-N 2 2 342.846 2.259 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417946695 466999185 /nfs/dbraw/zinc/99/91/85/466999185.db2.gz FQYJBMKGONXVCL-HFBAOOFYSA-N 2 2 340.418 2.137 10 0 EEAELP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417946695 466999190 /nfs/dbraw/zinc/99/91/90/466999190.db2.gz FQYJBMKGONXVCL-HFBAOOFYSA-N 2 2 340.418 2.137 10 0 EEAELP CCn1cc[nH+]c1[C@@H](C)NC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418266827 467086761 /nfs/dbraw/zinc/08/67/61/467086761.db2.gz VVMDQRUCWVSTMC-OAHLLOKOSA-N 2 2 329.448 2.177 10 0 EEAELP [NH3+]C1(CNC(=O)N2CC[NH+](Cc3ccco3)CC2)CCCCCC1 ZINC000418285199 467088107 /nfs/dbraw/zinc/08/81/07/467088107.db2.gz OMHWVYNOACDVIH-UHFFFAOYSA-N 2 2 334.464 2.159 10 0 EEAELP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC000418578848 467131168 /nfs/dbraw/zinc/13/11/68/467131168.db2.gz QMNAAMIQMIOPTO-VNQPRFMTSA-N 2 2 327.432 2.139 10 0 EEAELP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427888439 467184447 /nfs/dbraw/zinc/18/44/47/467184447.db2.gz XBYADMJYAJVKBB-GJZGRUSLSA-N 2 2 329.366 2.134 10 0 EEAELP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427888439 467184449 /nfs/dbraw/zinc/18/44/49/467184449.db2.gz XBYADMJYAJVKBB-GJZGRUSLSA-N 2 2 329.366 2.134 10 0 EEAELP CC1=C[C@@H](C)C[N@@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428938958 467281932 /nfs/dbraw/zinc/28/19/32/467281932.db2.gz KPFKAWDEULVTPD-NVXWUHKLSA-N 2 2 328.460 2.017 10 0 EEAELP CC1=C[C@@H](C)C[N@H+]([C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000428938958 467281937 /nfs/dbraw/zinc/28/19/37/467281937.db2.gz KPFKAWDEULVTPD-NVXWUHKLSA-N 2 2 328.460 2.017 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386732 467390074 /nfs/dbraw/zinc/39/00/74/467390074.db2.gz VMAYSLSOYAQPQA-KXBFYZLASA-N 2 2 333.451 2.248 10 0 EEAELP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420386732 467390078 /nfs/dbraw/zinc/39/00/78/467390078.db2.gz VMAYSLSOYAQPQA-KXBFYZLASA-N 2 2 333.451 2.248 10 0 EEAELP O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)NCCCc1ccccc1 ZINC000434977010 467439341 /nfs/dbraw/zinc/43/93/41/467439341.db2.gz FZOYRJJMRCNHIT-UHFFFAOYSA-N 2 2 326.444 2.338 10 0 EEAELP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449391016 467636364 /nfs/dbraw/zinc/63/63/64/467636364.db2.gz HJWLLDIZGNPSRU-RDJZCZTQSA-N 2 2 334.460 2.173 10 0 EEAELP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449391016 467636365 /nfs/dbraw/zinc/63/63/65/467636365.db2.gz HJWLLDIZGNPSRU-RDJZCZTQSA-N 2 2 334.460 2.173 10 0 EEAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449391030 467636528 /nfs/dbraw/zinc/63/65/28/467636528.db2.gz HKZGLLSAEOUZBD-IRXDYDNUSA-N 2 2 333.476 2.149 10 0 EEAELP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449391030 467636529 /nfs/dbraw/zinc/63/65/29/467636529.db2.gz HKZGLLSAEOUZBD-IRXDYDNUSA-N 2 2 333.476 2.149 10 0 EEAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449395065 467637079 /nfs/dbraw/zinc/63/70/79/467637079.db2.gz PHNAHZOQAFJOKP-AEFFLSMTSA-N 2 2 347.503 2.403 10 0 EEAELP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449395065 467637081 /nfs/dbraw/zinc/63/70/81/467637081.db2.gz PHNAHZOQAFJOKP-AEFFLSMTSA-N 2 2 347.503 2.403 10 0 EEAELP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528730248 467742629 /nfs/dbraw/zinc/74/26/29/467742629.db2.gz SLNGRLBRLHZWCB-IEBWSBKVSA-N 2 2 332.488 2.338 10 0 EEAELP CC(=O)[C@@](C)(O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458597 467853768 /nfs/dbraw/zinc/85/37/68/467853768.db2.gz YKQTZSXLQJUMAW-VQTJNVASSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@@](C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450458597 467853771 /nfs/dbraw/zinc/85/37/71/467853771.db2.gz YKQTZSXLQJUMAW-VQTJNVASSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450458597 467853774 /nfs/dbraw/zinc/85/37/74/467853774.db2.gz YKQTZSXLQJUMAW-VQTJNVASSA-N 2 2 330.472 2.315 10 0 EEAELP CC(=O)[C@@](C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450458597 467853776 /nfs/dbraw/zinc/85/37/76/467853776.db2.gz YKQTZSXLQJUMAW-VQTJNVASSA-N 2 2 330.472 2.315 10 0 EEAELP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCc1cn(C)c[nH+]1)[NH+](C)C ZINC000458759325 467893112 /nfs/dbraw/zinc/89/31/12/467893112.db2.gz GAHMLJLZOMZXHP-QAPCUYQASA-N 2 2 343.475 2.262 10 0 EEAELP CN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000518212587 468108689 /nfs/dbraw/zinc/10/86/89/468108689.db2.gz GNCUYMOBJYZVKD-QWHCGFSZSA-N 2 2 344.381 2.151 10 0 EEAELP CN(C(=O)C[C@H](c1[nH+]ccn1C)C(F)(F)F)[C@H]1CC[N@H+](C2CC2)C1 ZINC000518212587 468108691 /nfs/dbraw/zinc/10/86/91/468108691.db2.gz GNCUYMOBJYZVKD-QWHCGFSZSA-N 2 2 344.381 2.151 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569927683 468564886 /nfs/dbraw/zinc/56/48/86/468564886.db2.gz GOABQNPFAMYABN-DNVCBOLYSA-N 2 2 333.451 2.248 10 0 EEAELP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569927683 468564893 /nfs/dbraw/zinc/56/48/93/468564893.db2.gz GOABQNPFAMYABN-DNVCBOLYSA-N 2 2 333.451 2.248 10 0 EEAELP COC(=O)c1cnc(C2CC[NH+](C[C@H]([NH3+])CC(C)C)CC2)s1 ZINC000600771744 468653372 /nfs/dbraw/zinc/65/33/72/468653372.db2.gz AUWLSCDYNWOTQJ-CYBMUJFWSA-N 2 2 325.478 2.483 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000594914078 468720704 /nfs/dbraw/zinc/72/07/04/468720704.db2.gz CGBODMYQTRAWOX-RRFJBIMHSA-N 2 2 326.506 2.135 10 0 EEAELP C[C@H](CSCCF)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000595018018 468743821 /nfs/dbraw/zinc/74/38/21/468743821.db2.gz ZPRMQSAOOVPOPL-MRXNPFEDSA-N 3 2 340.512 2.275 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)c1ccc2c(c1)CCC(=O)N2 ZINC000560349206 468787241 /nfs/dbraw/zinc/78/72/41/468787241.db2.gz AXMCZMIXSVOBHW-YOEHRIQHSA-N 2 2 331.460 2.069 10 0 EEAELP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)c1ccc2c(c1)CCC(=O)N2 ZINC000560349206 468787247 /nfs/dbraw/zinc/78/72/47/468787247.db2.gz AXMCZMIXSVOBHW-YOEHRIQHSA-N 2 2 331.460 2.069 10 0 EEAELP O=C1[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCCN1c1cccc(F)c1 ZINC000584529972 468893492 /nfs/dbraw/zinc/89/34/92/468893492.db2.gz HMLZGPTYLTXVKN-HKUYNNGSSA-N 2 2 331.435 2.397 10 0 EEAELP O=C1[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)CCCN1c1cccc(F)c1 ZINC000584529972 468893497 /nfs/dbraw/zinc/89/34/97/468893497.db2.gz HMLZGPTYLTXVKN-HKUYNNGSSA-N 2 2 331.435 2.397 10 0 EEAELP COC(=O)c1oc([C@@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000595906974 469075704 /nfs/dbraw/zinc/07/57/04/469075704.db2.gz POQALXZTJLRXBN-CABCVRRESA-N 2 2 338.448 2.478 10 0 EEAELP COC(=O)c1oc([C@@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000595906974 469075710 /nfs/dbraw/zinc/07/57/10/469075710.db2.gz POQALXZTJLRXBN-CABCVRRESA-N 2 2 338.448 2.478 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)c1cc(CC(=O)OC)cc[nH+]1 ZINC000596211683 469204808 /nfs/dbraw/zinc/20/48/08/469204808.db2.gz YIJAAEYXKXDYOY-UHFFFAOYSA-N 2 2 330.432 2.473 10 0 EEAELP CCS[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000596457018 469272786 /nfs/dbraw/zinc/27/27/86/469272786.db2.gz BXTSEQKCWPSXSY-HZPDHXFCSA-N 2 2 344.569 2.233 10 0 EEAELP CCS[C@@H]1CCCC[C@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000596457018 469272792 /nfs/dbraw/zinc/27/27/92/469272792.db2.gz BXTSEQKCWPSXSY-HZPDHXFCSA-N 2 2 344.569 2.233 10 0 EEAELP CSCC1CCC(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)CC1 ZINC000596613261 469312892 /nfs/dbraw/zinc/31/28/92/469312892.db2.gz VGXOPUHPYZSDHL-UHFFFAOYSA-N 2 2 344.569 2.091 10 0 EEAELP CSCC1CCC(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000596613261 469312894 /nfs/dbraw/zinc/31/28/94/469312894.db2.gz VGXOPUHPYZSDHL-UHFFFAOYSA-N 2 2 344.569 2.091 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+](C)CC13CCCCC3)CC2 ZINC000625938512 469440948 /nfs/dbraw/zinc/44/09/48/469440948.db2.gz MIUAZONWSLPQSD-MRXNPFEDSA-N 2 2 330.476 2.231 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@H+](C)CC13CCCCC3)CC2 ZINC000625938512 469440950 /nfs/dbraw/zinc/44/09/50/469440950.db2.gz MIUAZONWSLPQSD-MRXNPFEDSA-N 2 2 330.476 2.231 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000617009081 469571058 /nfs/dbraw/zinc/57/10/58/469571058.db2.gz RUJPCDKCZOOKCF-KRWDZBQOSA-N 2 2 340.471 2.463 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000617009081 469571062 /nfs/dbraw/zinc/57/10/62/469571062.db2.gz RUJPCDKCZOOKCF-KRWDZBQOSA-N 2 2 340.471 2.463 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000629595876 469588591 /nfs/dbraw/zinc/58/85/91/469588591.db2.gz SHRLCXVFJAMFOE-YTQUADARSA-N 2 2 331.435 2.253 10 0 EEAELP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCCN(c3ccccc3F)C1=O)C2 ZINC000629595876 469588596 /nfs/dbraw/zinc/58/85/96/469588596.db2.gz SHRLCXVFJAMFOE-YTQUADARSA-N 2 2 331.435 2.253 10 0 EEAELP CC[NH+]1CCN(c2ccccc2NC(=O)CCCn2cc[nH+]c2)CC1 ZINC000623245279 469595980 /nfs/dbraw/zinc/59/59/80/469595980.db2.gz BNANIXQMBMSKCU-UHFFFAOYSA-N 2 2 341.459 2.444 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000627046773 469800655 /nfs/dbraw/zinc/80/06/55/469800655.db2.gz JUPBHQBPORDFMN-SMDDNHRTSA-N 2 2 333.823 2.075 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)C[NH2+]1 ZINC000627201962 469842939 /nfs/dbraw/zinc/84/29/39/469842939.db2.gz FCJHRIRQNMWIFC-ZBFHGGJFSA-N 2 2 345.491 2.249 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000620776898 469914071 /nfs/dbraw/zinc/91/40/71/469914071.db2.gz BOFFKYYVAOCTNJ-IBGZPJMESA-N 2 2 338.455 2.148 10 0 EEAELP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000620776898 469914074 /nfs/dbraw/zinc/91/40/74/469914074.db2.gz BOFFKYYVAOCTNJ-IBGZPJMESA-N 2 2 338.455 2.148 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887163 470189468 /nfs/dbraw/zinc/18/94/68/470189468.db2.gz OFYSMZFWFJHCAY-WMZOPIPTSA-N 2 2 347.528 2.277 10 0 EEAELP Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887163 470189469 /nfs/dbraw/zinc/18/94/69/470189469.db2.gz OFYSMZFWFJHCAY-WMZOPIPTSA-N 2 2 347.528 2.277 10 0 EEAELP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631951065 470192693 /nfs/dbraw/zinc/19/26/93/470192693.db2.gz XABWKUSTMMSJRF-IEBWSBKVSA-N 2 2 338.455 2.358 10 0 EEAELP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000631951065 470192694 /nfs/dbraw/zinc/19/26/94/470192694.db2.gz XABWKUSTMMSJRF-IEBWSBKVSA-N 2 2 338.455 2.358 10 0 EEAELP CCC1([NH+](C)C)CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)CC1 ZINC000634123450 470222132 /nfs/dbraw/zinc/22/21/32/470222132.db2.gz NAILSOMIUVRMTD-UHFFFAOYSA-N 2 2 327.432 2.214 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc2c1CCOC2 ZINC000634727997 470287057 /nfs/dbraw/zinc/28/70/57/470287057.db2.gz MERJUPRZFXFAOQ-FQEVSTJZSA-N 2 2 340.467 2.342 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc2c1CCOC2 ZINC000634727997 470287059 /nfs/dbraw/zinc/28/70/59/470287059.db2.gz MERJUPRZFXFAOQ-FQEVSTJZSA-N 2 2 340.467 2.342 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000648845910 470369336 /nfs/dbraw/zinc/36/93/36/470369336.db2.gz WPKWGSKNMXECBI-HQQPKKBNSA-N 2 2 337.414 2.166 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000648845910 470369338 /nfs/dbraw/zinc/36/93/38/470369338.db2.gz WPKWGSKNMXECBI-HQQPKKBNSA-N 2 2 337.414 2.166 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH+]1C ZINC000648845910 470369344 /nfs/dbraw/zinc/36/93/44/470369344.db2.gz WPKWGSKNMXECBI-HQQPKKBNSA-N 2 2 337.414 2.166 10 0 EEAELP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC[NH+]1C ZINC000648845910 470369345 /nfs/dbraw/zinc/36/93/45/470369345.db2.gz WPKWGSKNMXECBI-HQQPKKBNSA-N 2 2 337.414 2.166 10 0 EEAELP C[C@H](CC[NH2+][C@@H]1CCCS(=O)(=O)CC1)[N@H+](C)Cc1ccccc1 ZINC000634966198 470384947 /nfs/dbraw/zinc/38/49/47/470384947.db2.gz FQDGMNJXIGVDKC-SJLPKXTDSA-N 2 2 338.517 2.454 10 0 EEAELP C[C@H](CC[NH2+][C@@H]1CCCS(=O)(=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000634966198 470384953 /nfs/dbraw/zinc/38/49/53/470384953.db2.gz FQDGMNJXIGVDKC-SJLPKXTDSA-N 2 2 338.517 2.454 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414970 470580840 /nfs/dbraw/zinc/58/08/40/470580840.db2.gz CCGZSMGPEWOBNH-BZUAXINKSA-N 2 2 333.480 2.255 10 0 EEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649414970 470580844 /nfs/dbraw/zinc/58/08/44/470580844.db2.gz CCGZSMGPEWOBNH-BZUAXINKSA-N 2 2 333.480 2.255 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)[NH+]2CCCC2)o1 ZINC000635468954 470604081 /nfs/dbraw/zinc/60/40/81/470604081.db2.gz GVTMFNCFWOITDQ-IIAWOOMASA-N 2 2 328.416 2.368 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)[NH+]2CCCC2)o1 ZINC000635468954 470604088 /nfs/dbraw/zinc/60/40/88/470604088.db2.gz GVTMFNCFWOITDQ-IIAWOOMASA-N 2 2 328.416 2.368 10 0 EEAELP Cc1cc(NC(=O)C2([NH+](C)C)CC2)cc(NC(=O)C2([NH+](C)C)CC2)c1 ZINC000633908968 470629698 /nfs/dbraw/zinc/62/96/98/470629698.db2.gz DFCDYFNMFABZPU-UHFFFAOYSA-N 2 2 344.459 2.060 10 0 EEAELP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000649591602 470635516 /nfs/dbraw/zinc/63/55/16/470635516.db2.gz BWUINGHNKFIPBT-DNVCBOLYSA-N 2 2 325.460 2.223 10 0 EEAELP Cc1cncc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)n1 ZINC000649591602 470635519 /nfs/dbraw/zinc/63/55/19/470635519.db2.gz BWUINGHNKFIPBT-DNVCBOLYSA-N 2 2 325.460 2.223 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000635898019 470802489 /nfs/dbraw/zinc/80/24/89/470802489.db2.gz XBJXBEAEUHHRJP-WBVHZDCISA-N 2 2 330.476 2.410 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000635898019 470802499 /nfs/dbraw/zinc/80/24/99/470802499.db2.gz XBJXBEAEUHHRJP-WBVHZDCISA-N 2 2 330.476 2.410 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NCCC[N@@H+](C)CC(C)C)cn2c1 ZINC000650718163 470950001 /nfs/dbraw/zinc/95/00/01/470950001.db2.gz ZYNCBSJSMZYHMR-UHFFFAOYSA-N 2 2 331.464 2.420 10 0 EEAELP Cc1ccc2[nH+]c(CNC(=O)NCCC[N@H+](C)CC(C)C)cn2c1 ZINC000650718163 470950006 /nfs/dbraw/zinc/95/00/06/470950006.db2.gz ZYNCBSJSMZYHMR-UHFFFAOYSA-N 2 2 331.464 2.420 10 0 EEAELP C[C@@H](CC[NH+](C)C)NC(=O)N[C@H](Cc1ccccc1)c1[nH+]ccn1C ZINC000650780844 470965158 /nfs/dbraw/zinc/96/51/58/470965158.db2.gz GBYCHEPPCGPJQL-DOTOQJQBSA-N 2 2 343.475 2.343 10 0 EEAELP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@H+](C)C2)c(OC)c1 ZINC000644547875 470979456 /nfs/dbraw/zinc/97/94/56/470979456.db2.gz DMRONWAYYAKDDK-JSYWMUGDSA-N 2 2 334.460 2.152 10 0 EEAELP C/C=C/c1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000644547875 470979461 /nfs/dbraw/zinc/97/94/61/470979461.db2.gz DMRONWAYYAKDDK-JSYWMUGDSA-N 2 2 334.460 2.152 10 0 EEAELP C[N@@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1c1ccccc1 ZINC000651593613 471049208 /nfs/dbraw/zinc/04/92/08/471049208.db2.gz QNKULUKOMRLFDU-PXNSSMCTSA-N 2 2 338.455 2.324 10 0 EEAELP C[N@H+]1CC[C@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)[C@@H]1c1ccccc1 ZINC000651593613 471049211 /nfs/dbraw/zinc/04/92/11/471049211.db2.gz QNKULUKOMRLFDU-PXNSSMCTSA-N 2 2 338.455 2.324 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc3c1OC(F)(F)O3)CCO2 ZINC000648072038 471077254 /nfs/dbraw/zinc/07/72/54/471077254.db2.gz IOXLNFLFLFLSPO-UHFFFAOYSA-N 2 2 340.370 2.305 10 0 EEAELP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc3c1OC(F)(F)O3)CCO2 ZINC000648072038 471077263 /nfs/dbraw/zinc/07/72/63/471077263.db2.gz IOXLNFLFLFLSPO-UHFFFAOYSA-N 2 2 340.370 2.305 10 0 EEAELP COc1c(C)c[nH+]c(CN(C)C(=O)Cc2cn3c([nH+]2)CCCC3)c1C ZINC000651202030 471087193 /nfs/dbraw/zinc/08/71/93/471087193.db2.gz NBQCVYVPJWWUCO-UHFFFAOYSA-N 2 2 342.443 2.441 10 0 EEAELP CCCn1cc[nH+]c1CCCN(C)c1nc(N)[nH+]c2c1CCCC2 ZINC000645223333 471182305 /nfs/dbraw/zinc/18/23/05/471182305.db2.gz DXDURKUTJLGUOE-UHFFFAOYSA-N 2 2 328.464 2.613 10 0 EEAELP COc1nccnc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000648438516 471206429 /nfs/dbraw/zinc/20/64/29/471206429.db2.gz WIWCMDHQVCUYEZ-QGZVFWFLSA-N 2 2 326.444 2.487 10 0 EEAELP COc1nccnc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000648438516 471206434 /nfs/dbraw/zinc/20/64/34/471206434.db2.gz WIWCMDHQVCUYEZ-QGZVFWFLSA-N 2 2 326.444 2.487 10 0 EEAELP C[NH2+]Cc1ccccc1CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000652288193 471267375 /nfs/dbraw/zinc/26/73/75/471267375.db2.gz YQYFPQBNTGBMEH-YJBOKZPZSA-N 2 2 341.459 2.395 10 0 EEAELP CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341639 471274077 /nfs/dbraw/zinc/27/40/77/471274077.db2.gz AAIKVVVVZLBKOL-FQEVSTJZSA-N 2 2 335.451 2.005 10 0 EEAELP CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652341639 471274079 /nfs/dbraw/zinc/27/40/79/471274079.db2.gz AAIKVVVVZLBKOL-FQEVSTJZSA-N 2 2 335.451 2.005 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244185 471290577 /nfs/dbraw/zinc/29/05/77/471290577.db2.gz NXGRCXQHXIPVED-CBZIJGRNSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244185 471290580 /nfs/dbraw/zinc/29/05/80/471290580.db2.gz NXGRCXQHXIPVED-CBZIJGRNSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244185 471290584 /nfs/dbraw/zinc/29/05/84/471290584.db2.gz NXGRCXQHXIPVED-CBZIJGRNSA-N 2 2 337.508 2.007 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655244185 471290587 /nfs/dbraw/zinc/29/05/87/471290587.db2.gz NXGRCXQHXIPVED-CBZIJGRNSA-N 2 2 337.508 2.007 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000660433449 471339796 /nfs/dbraw/zinc/33/97/96/471339796.db2.gz MMNJHDYCDFSVPJ-INIZCTEOSA-N 2 2 345.491 2.222 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000660433449 471339803 /nfs/dbraw/zinc/33/98/03/471339803.db2.gz MMNJHDYCDFSVPJ-INIZCTEOSA-N 2 2 345.491 2.222 10 0 EEAELP C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)c1[nH+]ccn1C ZINC000660499433 471368667 /nfs/dbraw/zinc/36/86/67/471368667.db2.gz GKGWZRAELZFGBR-CQSZACIVSA-N 2 2 333.480 2.435 10 0 EEAELP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@H+](CC)C1 ZINC000663557795 471425126 /nfs/dbraw/zinc/42/51/26/471425126.db2.gz ZHGRFQPIRAAHKO-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP CCN(C(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000663557795 471425131 /nfs/dbraw/zinc/42/51/31/471425131.db2.gz ZHGRFQPIRAAHKO-KRWDZBQOSA-N 2 2 345.491 2.308 10 0 EEAELP Fc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655776120 471478153 /nfs/dbraw/zinc/47/81/53/471478153.db2.gz ICPIAYNJXWBJTB-PKOBYXMFSA-N 2 2 333.451 2.247 10 0 EEAELP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000653090366 471480706 /nfs/dbraw/zinc/48/07/06/471480706.db2.gz NEAWOYBIGCDIMJ-QWHCGFSZSA-N 2 2 330.259 2.376 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)[C@H]2CCC[NH2+]CC2)CC1 ZINC000653149785 471508704 /nfs/dbraw/zinc/50/87/04/471508704.db2.gz FQDHEVGNBGTZOS-CVEARBPZSA-N 2 2 333.451 2.421 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@@H+]3CCCOCC3)c2cc1OC ZINC000663834879 471540167 /nfs/dbraw/zinc/54/01/67/471540167.db2.gz XPWOTRFLTFIXED-UHFFFAOYSA-N 2 2 331.416 2.386 10 0 EEAELP COc1cc2cc[nH+]c(NCC[N@H+]3CCCOCC3)c2cc1OC ZINC000663834879 471540168 /nfs/dbraw/zinc/54/01/68/471540168.db2.gz XPWOTRFLTFIXED-UHFFFAOYSA-N 2 2 331.416 2.386 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000670081482 471672565 /nfs/dbraw/zinc/67/25/65/471672565.db2.gz XXADEFWJYSXVTF-MRXNPFEDSA-N 2 2 345.422 2.133 10 0 EEAELP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)[C@H](C)c1ccccc1 ZINC000664299083 471711548 /nfs/dbraw/zinc/71/15/48/471711548.db2.gz NENZEALKDLJSSI-DLBZAZTESA-N 2 2 334.508 2.361 10 0 EEAELP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)[C@H](C)c1ccccc1 ZINC000664299083 471711552 /nfs/dbraw/zinc/71/15/52/471711552.db2.gz NENZEALKDLJSSI-DLBZAZTESA-N 2 2 334.508 2.361 10 0 EEAELP Cc1ccc2[nH+]c(Cn3cc(C[C@@H]([NH3+])Cc4ccccc4)nn3)cn2c1 ZINC000656447425 471719044 /nfs/dbraw/zinc/71/90/44/471719044.db2.gz APLHTFMHJPJFJE-KRWDZBQOSA-N 2 2 346.438 2.395 10 0 EEAELP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000653777093 471736946 /nfs/dbraw/zinc/73/69/46/471736946.db2.gz VAGBDZKXWYZAJY-CQSZACIVSA-N 2 2 326.868 2.248 10 0 EEAELP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000653777093 471736948 /nfs/dbraw/zinc/73/69/48/471736948.db2.gz VAGBDZKXWYZAJY-CQSZACIVSA-N 2 2 326.868 2.248 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)[NH+](C)C)cc1 ZINC000667352961 471752052 /nfs/dbraw/zinc/75/20/52/471752052.db2.gz HHHSYPSXYXIBCR-MAUKXSAKSA-N 2 2 326.444 2.242 10 0 EEAELP Cc1ccc([C@@H](CNC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)[NH+](C)C)cc1 ZINC000667352961 471752054 /nfs/dbraw/zinc/75/20/54/471752054.db2.gz HHHSYPSXYXIBCR-MAUKXSAKSA-N 2 2 326.444 2.242 10 0 EEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[NH2+]CCO[C@@H]3CC3(F)F)c2cc1C ZINC000656708367 471814233 /nfs/dbraw/zinc/81/42/33/471814233.db2.gz MNBYZDATPNUGIE-XJKSGUPXSA-N 2 2 339.386 2.028 10 0 EEAELP CN(C)c1nc(N2CCO[C@H](CCC[NH+](C)C)C2)[nH+]c2ccccc21 ZINC000664658478 471826064 /nfs/dbraw/zinc/82/60/64/471826064.db2.gz RMOGPBTYDLPREF-OAHLLOKOSA-N 2 2 343.475 2.243 10 0 EEAELP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000668062545 471992844 /nfs/dbraw/zinc/99/28/44/471992844.db2.gz MJQMLDOCTXAETO-AQNXPRMDSA-N 2 2 330.472 2.435 10 0 EEAELP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000668062545 471992848 /nfs/dbraw/zinc/99/28/48/471992848.db2.gz MJQMLDOCTXAETO-AQNXPRMDSA-N 2 2 330.472 2.435 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)C1 ZINC000662153678 472011991 /nfs/dbraw/zinc/01/19/91/472011991.db2.gz BZDKMUZJZNHWKZ-GOSISDBHSA-N 2 2 329.419 2.405 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)C1 ZINC000662153678 472011996 /nfs/dbraw/zinc/01/19/96/472011996.db2.gz BZDKMUZJZNHWKZ-GOSISDBHSA-N 2 2 329.419 2.405 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000662201521 472026365 /nfs/dbraw/zinc/02/63/65/472026365.db2.gz MPZPDEUMAVJZKX-AEFFLSMTSA-N 2 2 329.488 2.201 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000662201521 472026366 /nfs/dbraw/zinc/02/63/66/472026366.db2.gz MPZPDEUMAVJZKX-AEFFLSMTSA-N 2 2 329.488 2.201 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CCO1 ZINC000662322716 472071098 /nfs/dbraw/zinc/07/10/98/472071098.db2.gz SUNSPHNMPAOLNX-OALUTQOASA-N 2 2 345.487 2.049 10 0 EEAELP C[NH+](C)CCC[C@H]1C[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)CCO1 ZINC000662322716 472071102 /nfs/dbraw/zinc/07/11/02/472071102.db2.gz SUNSPHNMPAOLNX-OALUTQOASA-N 2 2 345.487 2.049 10 0 EEAELP COc1c(C)ccc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1C ZINC000665523081 472075442 /nfs/dbraw/zinc/07/54/42/472075442.db2.gz GAQSZTRVPUQUTL-UHFFFAOYSA-N 2 2 336.480 2.317 10 0 EEAELP COc1c(C)ccc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1C ZINC000665523081 472075446 /nfs/dbraw/zinc/07/54/46/472075446.db2.gz GAQSZTRVPUQUTL-UHFFFAOYSA-N 2 2 336.480 2.317 10 0 EEAELP Cc1cc(N(C)C)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000665558546 472093936 /nfs/dbraw/zinc/09/39/36/472093936.db2.gz BYXWXXLTMHPCQO-UHFFFAOYSA-N 2 2 335.496 2.066 10 0 EEAELP Cc1cc(N(C)C)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000665558546 472093943 /nfs/dbraw/zinc/09/39/43/472093943.db2.gz BYXWXXLTMHPCQO-UHFFFAOYSA-N 2 2 335.496 2.066 10 0 EEAELP C[NH2+][C@H](C(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1cccc(Cl)c1Cl ZINC000662568022 472157119 /nfs/dbraw/zinc/15/71/19/472157119.db2.gz PBDLJYUSUQKFGH-DZGCQCFKSA-N 2 2 348.249 2.414 10 0 EEAELP C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)CC1C[NH+](C)C1 ZINC000668537988 472164055 /nfs/dbraw/zinc/16/40/55/472164055.db2.gz RRJXJXJYZQNTRU-UHFFFAOYSA-N 2 2 327.222 2.171 10 0 EEAELP C[N@H+](Cc1cc2c(c(Br)c1)OCO2)CC1C[NH+](C)C1 ZINC000668537988 472164060 /nfs/dbraw/zinc/16/40/60/472164060.db2.gz RRJXJXJYZQNTRU-UHFFFAOYSA-N 2 2 327.222 2.171 10 0 EEAELP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C(C)C ZINC000662825205 472268211 /nfs/dbraw/zinc/26/82/11/472268211.db2.gz FJZCIFHKYZQXFD-QFBILLFUSA-N 2 2 346.519 2.447 10 0 EEAELP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)C[NH2+]C(C)C ZINC000662825205 472268218 /nfs/dbraw/zinc/26/82/18/472268218.db2.gz FJZCIFHKYZQXFD-QFBILLFUSA-N 2 2 346.519 2.447 10 0 EEAELP CC(C)[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1)C1CC1 ZINC000662915478 472298622 /nfs/dbraw/zinc/29/86/22/472298622.db2.gz MWXQFMMYBYGXRR-RBUKOAKNSA-N 2 2 340.471 2.352 10 0 EEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532482324 485544558 /nfs/dbraw/zinc/54/45/58/485544558.db2.gz GKKNPDCDVABOLS-YOEHRIQHSA-N 2 2 331.460 2.333 10 0 EEAELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532482324 485544561 /nfs/dbraw/zinc/54/45/61/485544561.db2.gz GKKNPDCDVABOLS-YOEHRIQHSA-N 2 2 331.460 2.333 10 0 EEAELP COC[C@H]1CCC[N@@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000674466776 485736343 /nfs/dbraw/zinc/73/63/43/485736343.db2.gz NQQXFOSYTHVQSF-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP COC[C@H]1CCC[N@H+]1CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000674466776 485736349 /nfs/dbraw/zinc/73/63/49/485736349.db2.gz NQQXFOSYTHVQSF-PKOBYXMFSA-N 2 2 345.487 2.003 10 0 EEAELP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C1 ZINC000684372571 485861566 /nfs/dbraw/zinc/86/15/66/485861566.db2.gz QLIJRGBCYAWTGA-RBUKOAKNSA-N 2 2 348.487 2.445 10 0 EEAELP COc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000682131684 486426248 /nfs/dbraw/zinc/42/62/48/486426248.db2.gz CBJOXGZMGJYVGM-SJLPKXTDSA-N 2 2 329.448 2.102 10 0 EEAELP COc1ccc([C@@H](CCn2cncn2)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000682131684 486426252 /nfs/dbraw/zinc/42/62/52/486426252.db2.gz CBJOXGZMGJYVGM-SJLPKXTDSA-N 2 2 329.448 2.102 10 0 EEAELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000678241397 486596602 /nfs/dbraw/zinc/59/66/02/486596602.db2.gz FUEVKLMCXPJNQJ-MRXNPFEDSA-N 2 2 327.476 2.165 10 0 EEAELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000678241397 486596606 /nfs/dbraw/zinc/59/66/06/486596606.db2.gz FUEVKLMCXPJNQJ-MRXNPFEDSA-N 2 2 327.476 2.165 10 0 EEAELP c1nc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)co1 ZINC000683203651 486627922 /nfs/dbraw/zinc/62/79/22/486627922.db2.gz KSSGIETVLVGAIW-UHFFFAOYSA-N 2 2 327.388 2.038 10 0 EEAELP CCc1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000455922504 536187652 /nfs/dbraw/zinc/18/76/52/536187652.db2.gz YCPXCZHGXKXJRA-UHFFFAOYSA-N 2 2 348.491 2.405 10 0 EEAELP COC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423153395 536853811 /nfs/dbraw/zinc/85/38/11/536853811.db2.gz NHPLLLIVSAHOGN-SZMVWBNQSA-N 2 2 338.879 2.427 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000765107698 577495119 /nfs/dbraw/zinc/49/51/19/577495119.db2.gz UOICHMVWENGGPX-NVXWUHKLSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000765107698 577495120 /nfs/dbraw/zinc/49/51/20/577495120.db2.gz UOICHMVWENGGPX-NVXWUHKLSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000765107698 577495121 /nfs/dbraw/zinc/49/51/21/577495121.db2.gz UOICHMVWENGGPX-NVXWUHKLSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000765107698 577495122 /nfs/dbraw/zinc/49/51/22/577495122.db2.gz UOICHMVWENGGPX-NVXWUHKLSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000765107700 577495177 /nfs/dbraw/zinc/49/51/77/577495177.db2.gz UOICHMVWENGGPX-RDJZCZTQSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000765107700 577495178 /nfs/dbraw/zinc/49/51/78/577495178.db2.gz UOICHMVWENGGPX-RDJZCZTQSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000765107700 577495179 /nfs/dbraw/zinc/49/51/79/577495179.db2.gz UOICHMVWENGGPX-RDJZCZTQSA-N 2 2 342.443 2.197 10 0 EEAELP COC(=O)c1ccc2c(cnn2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000765107700 577495180 /nfs/dbraw/zinc/49/51/80/577495180.db2.gz UOICHMVWENGGPX-RDJZCZTQSA-N 2 2 342.443 2.197 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000756131109 577839037 /nfs/dbraw/zinc/83/90/37/577839037.db2.gz HXWUDGGPLNMPBT-APIJFGDWSA-N 2 2 341.496 2.287 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C ZINC000756131109 577839038 /nfs/dbraw/zinc/83/90/38/577839038.db2.gz HXWUDGGPLNMPBT-APIJFGDWSA-N 2 2 341.496 2.287 10 0 EEAELP Cc1cc2c(ncnc2N2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)s1 ZINC000261772778 676407760 /nfs/dbraw/zinc/40/77/60/676407760.db2.gz MUBQPLITBGGPNG-QGZVFWFLSA-N 2 2 331.489 2.121 10 0 EEAELP CC1(C)[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)s2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925646658 684718526 /nfs/dbraw/zinc/71/85/26/684718526.db2.gz WFANPUTUDJJEDK-XBFCOCLRSA-N 2 2 328.503 2.018 10 0 EEAELP COc1cccc([C@H]2[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000897334283 687135788 /nfs/dbraw/zinc/13/57/88/687135788.db2.gz AMXMIMLTGHYNFA-OTWHNJEPSA-N 2 2 343.471 2.183 10 0 EEAELP C[C@@H](c1ncccn1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581636 1191848370 /nfs/dbraw/zinc/84/83/70/1191848370.db2.gz HGRVLWAGGWGVEJ-JKSUJKDBSA-N 2 2 347.507 2.096 10 0 EEAELP C[C@@H](c1ncccn1)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001485581636 1191848373 /nfs/dbraw/zinc/84/83/73/1191848373.db2.gz HGRVLWAGGWGVEJ-JKSUJKDBSA-N 2 2 347.507 2.096 10 0 EEAELP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001485814646 1191978752 /nfs/dbraw/zinc/97/87/52/1191978752.db2.gz CETYYWUMEJILFN-AEFFLSMTSA-N 2 2 332.492 2.318 10 0 EEAELP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001485814648 1191978761 /nfs/dbraw/zinc/97/87/61/1191978761.db2.gz CETYYWUMEJILFN-FUHWJXTLSA-N 2 2 332.492 2.318 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001266320968 1176258671 /nfs/dbraw/zinc/25/86/71/1176258671.db2.gz JPQVICZXWZVBJF-HNNXBMFYSA-N 2 2 336.455 2.092 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)N[C@H]1CC[N@H+](CCCCCF)C1 ZINC001266320968 1176258684 /nfs/dbraw/zinc/25/86/84/1176258684.db2.gz JPQVICZXWZVBJF-HNNXBMFYSA-N 2 2 336.455 2.092 10 0 EEAELP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCn3cc[nH+]c3C2)c(C)s1 ZINC001266748434 1177342716 /nfs/dbraw/zinc/34/27/16/1177342716.db2.gz FEPLHFUVHQXTLK-OAHLLOKOSA-N 2 2 346.500 2.372 10 0 EEAELP COCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266752016 1177351633 /nfs/dbraw/zinc/35/16/33/1177351633.db2.gz MLGRENPGSFKWQH-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP COCCC[N@H+]1CCC[C@@H](CNC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266752016 1177351639 /nfs/dbraw/zinc/35/16/39/1177351639.db2.gz MLGRENPGSFKWQH-AWEZNQCLSA-N 2 2 330.432 2.041 10 0 EEAELP CC(C)c1cccc(C[NH2+]CCN(C)C(=O)CCn2cc[nH+]c2)n1 ZINC001266794504 1177439933 /nfs/dbraw/zinc/43/99/33/1177439933.db2.gz RDOQYKDLLYEMTB-UHFFFAOYSA-N 2 2 329.448 2.040 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001691368746 1177973470 /nfs/dbraw/zinc/97/34/70/1177973470.db2.gz BORLFVJXPDXBGR-OAHLLOKOSA-N 2 2 346.862 2.347 10 0 EEAELP CO[C@H](C[NH2+]CCN(C)C(=O)c1cccc2[nH+]ccn21)C1CCCC1 ZINC001691391032 1177991782 /nfs/dbraw/zinc/99/17/82/1177991782.db2.gz CEUOIOVXAJKJSF-QGZVFWFLSA-N 2 2 344.459 2.201 10 0 EEAELP Cc1nc(C(C)C)ccc1C[NH2+]CCN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001267445531 1179019598 /nfs/dbraw/zinc/01/95/98/1179019598.db2.gz CREZTLCTEYZCBS-UHFFFAOYSA-N 2 2 329.448 2.027 10 0 EEAELP CC[N@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)c1cccc(OC)c1 ZINC001481002288 1179460109 /nfs/dbraw/zinc/46/01/09/1179460109.db2.gz HBNSYRFQFGARJG-AWEZNQCLSA-N 2 2 330.432 2.160 10 0 EEAELP CC[N@@H+](CCNC(=O)Cc1c[nH]c[nH+]1)[C@@H](C)c1cccc(OC)c1 ZINC001481002288 1179460112 /nfs/dbraw/zinc/46/01/12/1179460112.db2.gz HBNSYRFQFGARJG-AWEZNQCLSA-N 2 2 330.432 2.160 10 0 EEAELP CN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)CCn1cc[nH+]c1 ZINC001481264039 1180512289 /nfs/dbraw/zinc/51/22/89/1180512289.db2.gz JNEJVYSVUOOWKP-CQSZACIVSA-N 2 2 328.407 2.147 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267821317 1180581535 /nfs/dbraw/zinc/58/15/35/1180581535.db2.gz BSIWIHHCGPCMIO-JSGCOSHPSA-N 2 2 349.866 2.321 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H](C)Cc1c[nH+]c[nH]1)[NH2+]Cc1ccc(Cl)nc1 ZINC001267821317 1180581540 /nfs/dbraw/zinc/58/15/40/1180581540.db2.gz BSIWIHHCGPCMIO-JSGCOSHPSA-N 2 2 349.866 2.321 10 0 EEAELP CN(CC[NH2+]Cc1ccc(C(F)(F)F)cc1)C(=O)Cn1cc[nH+]c1 ZINC001481322398 1181034046 /nfs/dbraw/zinc/03/40/46/1181034046.db2.gz CXHXUJVDXXTJCX-UHFFFAOYSA-N 2 2 340.349 2.150 10 0 EEAELP C[C@@H](CC(=O)N(C)CC[NH2+]Cc1cccc(N(C)C)c1)n1cc[nH+]c1 ZINC001691495235 1181559006 /nfs/dbraw/zinc/55/90/06/1181559006.db2.gz GYURBTLBKJIMQV-INIZCTEOSA-N 2 2 343.475 2.148 10 0 EEAELP Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001691495556 1181575709 /nfs/dbraw/zinc/57/57/09/1181575709.db2.gz OFPISGRORZKUMH-HNNXBMFYSA-N 2 2 346.479 2.168 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccccc1)N(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001268070197 1181667924 /nfs/dbraw/zinc/66/79/24/1181667924.db2.gz CYHAUENJOBJBGI-FUHWJXTLSA-N 2 2 340.471 2.125 10 0 EEAELP CC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1ccc(F)cc1F ZINC001492993749 1182167334 /nfs/dbraw/zinc/16/73/34/1182167334.db2.gz VNSSZPXMEZRZFM-UHFFFAOYSA-N 2 2 336.386 2.108 10 0 EEAELP CC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)Cc1ccc(F)cc1F ZINC001492993749 1182167336 /nfs/dbraw/zinc/16/73/36/1182167336.db2.gz VNSSZPXMEZRZFM-UHFFFAOYSA-N 2 2 336.386 2.108 10 0 EEAELP CC(C)CCOCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481703578 1182247855 /nfs/dbraw/zinc/24/78/55/1182247855.db2.gz XQZNYWQKYXQRFH-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP CC(C)CCOCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001481703578 1182247860 /nfs/dbraw/zinc/24/78/60/1182247860.db2.gz XQZNYWQKYXQRFH-MRXNPFEDSA-N 2 2 344.459 2.430 10 0 EEAELP CC[C@H](C(=O)NC1C[NH+](CCCOc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001268331812 1182263682 /nfs/dbraw/zinc/26/36/82/1182263682.db2.gz FPNOXKWIURBKGE-LJQANCHMSA-N 2 2 347.503 2.213 10 0 EEAELP CC[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)[NH2+]Cc1cnc(C)o1 ZINC001481824022 1182743836 /nfs/dbraw/zinc/74/38/36/1182743836.db2.gz OUPNKIUGGRTRFR-CYBMUJFWSA-N 2 2 327.388 2.158 10 0 EEAELP CC[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]C/C(Cl)=C/Cl ZINC001481852024 1182803896 /nfs/dbraw/zinc/80/38/96/1182803896.db2.gz LQHZMKWCESOAPN-BVAVQILBSA-N 2 2 345.274 2.327 10 0 EEAELP O=C(CCn1cc[nH+]c1)NC/C=C\C[NH2+]Cc1cc2ccccc2o1 ZINC001268578616 1183341905 /nfs/dbraw/zinc/34/19/05/1183341905.db2.gz YMYJRFAFFREPFB-ARJAWSKDSA-N 2 2 338.411 2.482 10 0 EEAELP COc1cc(C[NH2+]C/C=C/CNC(=O)Cn2cc[nH+]c2)ccc1Cl ZINC001268635017 1183564001 /nfs/dbraw/zinc/56/40/01/1183564001.db2.gz VWFIGBJFWJEESN-NSCUHMNNSA-N 2 2 348.834 2.007 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)oc1C ZINC001269290855 1184143347 /nfs/dbraw/zinc/14/33/47/1184143347.db2.gz BWEQHIAEASRSLO-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)oc1C ZINC001269290855 1184143349 /nfs/dbraw/zinc/14/33/49/1184143349.db2.gz BWEQHIAEASRSLO-INIZCTEOSA-N 2 2 336.480 2.056 10 0 EEAELP Cn1cc[nH+]c1CCC(=O)NC1(C[NH2+]CCC(F)(F)F)CCCC1 ZINC001269563519 1184394661 /nfs/dbraw/zinc/39/46/61/1184394661.db2.gz AACNCDTZMDJLQA-UHFFFAOYSA-N 2 2 346.397 2.324 10 0 EEAELP CC(C)[N@H+](C)CC(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001269893877 1184699075 /nfs/dbraw/zinc/69/90/75/1184699075.db2.gz WQAMSOOEZSGZMN-GFCCVEGCSA-N 2 2 336.307 2.053 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)N(C)C1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001269893877 1184699085 /nfs/dbraw/zinc/69/90/85/1184699085.db2.gz WQAMSOOEZSGZMN-GFCCVEGCSA-N 2 2 336.307 2.053 10 0 EEAELP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001691506733 1185019248 /nfs/dbraw/zinc/01/92/48/1185019248.db2.gz WKLVHWUERAWJCB-OTLMLMNOSA-N 2 2 330.476 2.286 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001482297399 1185175579 /nfs/dbraw/zinc/17/55/79/1185175579.db2.gz OHXIRQGOJMIAEU-IACUBPJLSA-N 2 2 348.397 2.428 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001482297399 1185175582 /nfs/dbraw/zinc/17/55/82/1185175582.db2.gz OHXIRQGOJMIAEU-IACUBPJLSA-N 2 2 348.397 2.428 10 0 EEAELP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482301161 1185212532 /nfs/dbraw/zinc/21/25/32/1185212532.db2.gz JHZDJTSTZCVFMA-DZGCQCFKSA-N 2 2 332.473 2.144 10 0 EEAELP Cc1cc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCc3c[nH+]cn3C2)cs1 ZINC001482301948 1185215882 /nfs/dbraw/zinc/21/58/82/1185215882.db2.gz XNIIWMGKIMAJBE-CJNGLKHVSA-N 2 2 346.500 2.452 10 0 EEAELP Cc1ccc(CC[NH2+]C[C@H](C)N(C)C(=O)CCc2[nH+]ccn2C)cc1 ZINC001482311136 1185283177 /nfs/dbraw/zinc/28/31/77/1185283177.db2.gz JSAJFCZKXPOZRC-KRWDZBQOSA-N 2 2 342.487 2.340 10 0 EEAELP CC(C)=CC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001270682165 1185311960 /nfs/dbraw/zinc/31/19/60/1185311960.db2.gz IWTZLKSPDVXOEF-MSOLQXFVSA-N 2 2 337.508 2.034 10 0 EEAELP CC(C)=CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001270682165 1185311967 /nfs/dbraw/zinc/31/19/67/1185311967.db2.gz IWTZLKSPDVXOEF-MSOLQXFVSA-N 2 2 337.508 2.034 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1nccs1 ZINC001271598552 1186331876 /nfs/dbraw/zinc/33/18/76/1186331876.db2.gz AAVLETIGSPIWMM-AWEZNQCLSA-N 2 2 347.488 2.278 10 0 EEAELP CN(CC[N@H+](C)Cc1ccc(F)cn1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606560 1187360955 /nfs/dbraw/zinc/36/09/55/1187360955.db2.gz RZDGHNSDPUMAGA-MSOLQXFVSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccc(F)cn1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606560 1187360957 /nfs/dbraw/zinc/36/09/57/1187360957.db2.gz RZDGHNSDPUMAGA-MSOLQXFVSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[NH+](C)Cc1ccc(F)cn1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482606560 1187360961 /nfs/dbraw/zinc/36/09/61/1187360961.db2.gz RZDGHNSDPUMAGA-MSOLQXFVSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[NH+](C)Cc1ccc(F)cn1)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001482606560 1187360963 /nfs/dbraw/zinc/36/09/63/1187360963.db2.gz RZDGHNSDPUMAGA-MSOLQXFVSA-N 2 2 348.466 2.128 10 0 EEAELP CN(CC[N@H+](C)Cc1cncs1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001482652342 1187489291 /nfs/dbraw/zinc/48/92/91/1187489291.db2.gz UKHZQVUDHIQSNV-QGZVFWFLSA-N 2 2 346.500 2.336 10 0 EEAELP CN(CC[N@@H+](C)Cc1cncs1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001482652342 1187489295 /nfs/dbraw/zinc/48/92/95/1187489295.db2.gz UKHZQVUDHIQSNV-QGZVFWFLSA-N 2 2 346.500 2.336 10 0 EEAELP CCN(CC[NH2+]CCc1ccccc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001482934130 1187853851 /nfs/dbraw/zinc/85/38/51/1187853851.db2.gz QCLAHEOBUWAFDX-GOSISDBHSA-N 2 2 340.471 2.126 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)CCn1cc[nH+]c1)c1cccc(F)c1 ZINC001483047812 1188262709 /nfs/dbraw/zinc/26/27/09/1188262709.db2.gz XIZAYZMKLYELKN-MPNWYJEXSA-N 2 2 330.407 2.436 10 0 EEAELP C[C@@H]([NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC001483100122 1188477298 /nfs/dbraw/zinc/47/72/98/1188477298.db2.gz AEJRSZQMJOJKNW-RXYHWBRQSA-N 2 2 338.455 2.395 10 0 EEAELP C[NH+](C)C1(C(=O)NC[C@@H]2COCC[N@@H+]2CCC2=CCCCC2)CCC1 ZINC001272869046 1193584362 /nfs/dbraw/zinc/58/43/62/1193584362.db2.gz JDJJAINMAJAPDC-GOSISDBHSA-N 2 2 349.519 2.178 10 0 EEAELP C[NH+](C)C1(C(=O)NC[C@@H]2COCC[N@H+]2CCC2=CCCCC2)CCC1 ZINC001272869046 1193584363 /nfs/dbraw/zinc/58/43/63/1193584363.db2.gz JDJJAINMAJAPDC-GOSISDBHSA-N 2 2 349.519 2.178 10 0 EEAELP Cc1nc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCn2cc[nH+]c2)s1 ZINC001409403724 1189631027 /nfs/dbraw/zinc/63/10/27/1189631027.db2.gz YLLFWVUWGAQGDW-RYUDHWBXSA-N 2 2 335.477 2.030 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@@H](C)[NH2+]CCc1ccccc1Cl ZINC001409448495 1189693865 /nfs/dbraw/zinc/69/38/65/1189693865.db2.gz DMOCXIIHFPXXSE-ZIAGYGMSSA-N 2 2 334.851 2.262 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]Cc1ccsc1 ZINC001485895960 1193633172 /nfs/dbraw/zinc/63/31/72/1193633172.db2.gz WWDXQEBDIWRWRM-ZFWWWQNUSA-N 2 2 332.473 2.144 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@H+](C)CCC1CCCC1 ZINC001409584427 1190075242 /nfs/dbraw/zinc/07/52/42/1190075242.db2.gz NUEGWWXQLIPUBG-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)[N@@H+](C)CCC1CCCC1 ZINC001409584427 1190075247 /nfs/dbraw/zinc/07/52/47/1190075247.db2.gz NUEGWWXQLIPUBG-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1nc(C)oc1C ZINC001483346796 1190381182 /nfs/dbraw/zinc/38/11/82/1190381182.db2.gz XHWBTZJVNIHQIF-SUMWQHHRSA-N 2 2 336.480 2.102 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1nc(C)oc1C ZINC001483346796 1190381187 /nfs/dbraw/zinc/38/11/87/1190381187.db2.gz XHWBTZJVNIHQIF-SUMWQHHRSA-N 2 2 336.480 2.102 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)Cc1nc(C)oc1C ZINC001483346796 1190381193 /nfs/dbraw/zinc/38/11/93/1190381193.db2.gz XHWBTZJVNIHQIF-SUMWQHHRSA-N 2 2 336.480 2.102 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)Cc1nc(C)oc1C ZINC001483346796 1190381197 /nfs/dbraw/zinc/38/11/97/1190381197.db2.gz XHWBTZJVNIHQIF-SUMWQHHRSA-N 2 2 336.480 2.102 10 0 EEAELP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001483474614 1190496829 /nfs/dbraw/zinc/49/68/29/1190496829.db2.gz MIIARLFTBYPDMD-QGZVFWFLSA-N 2 2 332.492 2.464 10 0 EEAELP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001483504430 1190518510 /nfs/dbraw/zinc/51/85/10/1190518510.db2.gz QPKVZYUDNIBHEK-UHFFFAOYSA-N 2 2 332.423 2.465 10 0 EEAELP O=C(N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC001483571560 1190561459 /nfs/dbraw/zinc/56/14/59/1190561459.db2.gz RISREECGBYEQOX-HKUYNNGSSA-N 2 2 342.487 2.430 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc2cc[nH]c2c1 ZINC001483702548 1190776766 /nfs/dbraw/zinc/77/67/66/1190776766.db2.gz PZJLGSUZQQGVFU-KRWDZBQOSA-N 2 2 337.427 2.064 10 0 EEAELP Cc1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc2cc[nH]c2c1 ZINC001483702548 1190776768 /nfs/dbraw/zinc/77/67/68/1190776768.db2.gz PZJLGSUZQQGVFU-KRWDZBQOSA-N 2 2 337.427 2.064 10 0 EEAELP CCOCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001483806038 1191051813 /nfs/dbraw/zinc/05/18/13/1191051813.db2.gz KWTAOKNFKCGUQG-CSNJMZFVSA-N 2 2 348.491 2.372 10 0 EEAELP Cc1ncc(C[N@H+]2CC[C@@](C)(NC(=O)Cn3cc[nH+]c3C(C)C)C2)o1 ZINC001484060493 1191182221 /nfs/dbraw/zinc/18/22/21/1191182221.db2.gz JPYOXJYRNFEKGG-GOSISDBHSA-N 2 2 345.447 2.084 10 0 EEAELP Cc1ncc(C[N@@H+]2CC[C@@](C)(NC(=O)Cn3cc[nH+]c3C(C)C)C2)o1 ZINC001484060493 1191182223 /nfs/dbraw/zinc/18/22/23/1191182223.db2.gz JPYOXJYRNFEKGG-GOSISDBHSA-N 2 2 345.447 2.084 10 0 EEAELP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001484102374 1191211480 /nfs/dbraw/zinc/21/14/80/1191211480.db2.gz XCOOXNJEXHPPCR-LPHOPBHVSA-N 2 2 332.492 2.320 10 0 EEAELP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ncc(C(C)(C)C)o2)CCC1 ZINC001484649405 1191455276 /nfs/dbraw/zinc/45/52/76/1191455276.db2.gz LFJNAIZOFYSGGA-UHFFFAOYSA-N 2 2 336.480 2.052 10 0 EEAELP CCCC[NH2+][C@@]1(CO)CCCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001484844137 1191549729 /nfs/dbraw/zinc/54/97/29/1191549729.db2.gz OINUNWFOWIHZKP-IBGZPJMESA-N 2 2 333.476 2.364 10 0 EEAELP C[C@@H](CC(=O)N1CCC(C)([NH2+]CC[C@@H]2CCOC2)CC1)n1cc[nH+]c1 ZINC001484924221 1191577179 /nfs/dbraw/zinc/57/71/79/1191577179.db2.gz LIEAZBAVMBRMRO-DLBZAZTESA-N 2 2 348.491 2.232 10 0 EEAELP Cc1nc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C)cs1 ZINC001484988173 1191604386 /nfs/dbraw/zinc/60/43/86/1191604386.db2.gz QWKLEBWSKOLWJM-HIFRSBDPSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1nc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)cs1 ZINC001484988173 1191604387 /nfs/dbraw/zinc/60/43/87/1191604387.db2.gz QWKLEBWSKOLWJM-HIFRSBDPSA-N 2 2 338.521 2.261 10 0 EEAELP Cc1nc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)cs1 ZINC001484988173 1191604388 /nfs/dbraw/zinc/60/43/88/1191604388.db2.gz QWKLEBWSKOLWJM-HIFRSBDPSA-N 2 2 338.521 2.261 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCF ZINC001485043628 1191623961 /nfs/dbraw/zinc/62/39/61/1191623961.db2.gz DRHLKQMXGRRTKW-SJLPKXTDSA-N 2 2 330.407 2.005 10 0 EEAELP COCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001485061854 1191639645 /nfs/dbraw/zinc/63/96/45/1191639645.db2.gz CRDJSWIOPIHCKP-IRXDYDNUSA-N 2 2 336.480 2.040 10 0 EEAELP COCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001485061854 1191639646 /nfs/dbraw/zinc/63/96/46/1191639646.db2.gz CRDJSWIOPIHCKP-IRXDYDNUSA-N 2 2 336.480 2.040 10 0 EEAELP C[C@@H](NC(=O)CCc1c[nH+]cn1C)[C@H](C)[NH2+]Cc1ccncc1Cl ZINC001485218252 1191689983 /nfs/dbraw/zinc/68/99/83/1191689983.db2.gz CMGUVQCJCGLOLL-QWHCGFSZSA-N 2 2 349.866 2.084 10 0 EEAELP CN(C(=O)CCCn1cc[nH+]c1)C1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC001485243056 1191706931 /nfs/dbraw/zinc/70/69/31/1191706931.db2.gz DKWFQJXBXZOIKN-AOCRQIFASA-N 2 2 348.491 2.059 10 0 EEAELP COCCC[N@H+]1CC=C(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001486510952 1194028173 /nfs/dbraw/zinc/02/81/73/1194028173.db2.gz MHXWSFVSJIKPQY-UHFFFAOYSA-N 2 2 331.460 2.405 10 0 EEAELP COCCC[N@@H+]1CC=C(CNC(=O)c2c(C)cc(C)[nH+]c2C)CC1 ZINC001486510952 1194028176 /nfs/dbraw/zinc/02/81/76/1194028176.db2.gz MHXWSFVSJIKPQY-UHFFFAOYSA-N 2 2 331.460 2.405 10 0 EEAELP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](C/C(Cl)=C\Cl)C2)C1 ZINC001493238704 1248640567 /nfs/dbraw/zinc/64/05/67/1248640567.db2.gz DBQAHDTUVAPQRV-SNSDMREKSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](C/C(Cl)=C\Cl)C2)C1 ZINC001493238704 1248640580 /nfs/dbraw/zinc/64/05/80/1248640580.db2.gz DBQAHDTUVAPQRV-SNSDMREKSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001493238704 1248640607 /nfs/dbraw/zinc/64/06/07/1248640607.db2.gz DBQAHDTUVAPQRV-SNSDMREKSA-N 2 2 334.291 2.085 10 0 EEAELP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C/C(Cl)=C\Cl)C2)C1 ZINC001493238704 1248640593 /nfs/dbraw/zinc/64/05/93/1248640593.db2.gz DBQAHDTUVAPQRV-SNSDMREKSA-N 2 2 334.291 2.085 10 0 EEAELP Cc1ccc(F)c(C[NH2+]C[C@H]2C[C@H](NC(=O)CCn3cc[nH+]c3)C2)c1 ZINC001410213512 1197606818 /nfs/dbraw/zinc/60/68/18/1197606818.db2.gz ZELOLWROVUCZFJ-JCNLHEQBSA-N 2 2 344.434 2.405 10 0 EEAELP C[C@H](CN(C)C(=O)[C@H]1CCn2cc[nH+]c2C1)[NH2+]Cc1cccc(F)c1 ZINC001410387719 1197785340 /nfs/dbraw/zinc/78/53/40/1197785340.db2.gz QGUADRMJEGDWKC-ZBFHGGJFSA-N 2 2 344.434 2.221 10 0 EEAELP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]C[C@H](O)CC(C)(C)O)c(C)c1 ZINC000872204760 1198083661 /nfs/dbraw/zinc/08/36/61/1198083661.db2.gz DWKUISMUMZRBFC-AEFFLSMTSA-N 2 2 331.460 2.353 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001410855255 1198506479 /nfs/dbraw/zinc/50/64/79/1198506479.db2.gz PWOMCRCJYLOUMD-LSDHHAIUSA-N 2 2 336.480 2.217 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)o1 ZINC001410855255 1198506483 /nfs/dbraw/zinc/50/64/83/1198506483.db2.gz PWOMCRCJYLOUMD-LSDHHAIUSA-N 2 2 336.480 2.217 10 0 EEAELP CC1(C)CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]C/C(Cl)=C\Cl ZINC001410970214 1198647669 /nfs/dbraw/zinc/64/76/69/1198647669.db2.gz DJGDDSSJHMNXAW-BWODNOAJSA-N 2 2 345.274 2.419 10 0 EEAELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866340605 1201495988 /nfs/dbraw/zinc/49/59/88/1201495988.db2.gz SUSJIGXSMVXGIH-WOJBJXKFSA-N 2 2 325.456 2.412 10 0 EEAELP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CCc2ccccc2)c2ccccn2)C1 ZINC000866340605 1201495989 /nfs/dbraw/zinc/49/59/89/1201495989.db2.gz SUSJIGXSMVXGIH-WOJBJXKFSA-N 2 2 325.456 2.412 10 0 EEAELP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)CC2)CC1 ZINC000868923374 1201906879 /nfs/dbraw/zinc/90/68/79/1201906879.db2.gz FDRDDMTWJPGRML-JCHJZTRSSA-N 2 2 333.520 2.297 10 0 EEAELP CC[NH+]1CCC([N@H+]2CCCN(C(=O)[C@@H]3C[C@@H]3[C@@H]3C[C@@H]3C)CC2)CC1 ZINC000868923374 1201906882 /nfs/dbraw/zinc/90/68/82/1201906882.db2.gz FDRDDMTWJPGRML-JCHJZTRSSA-N 2 2 333.520 2.297 10 0 EEAELP C[C@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001279184249 1204397973 /nfs/dbraw/zinc/39/79/73/1204397973.db2.gz VEFWUZQWACBVND-JKSUJKDBSA-N 2 2 334.508 2.473 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001274760849 1205154985 /nfs/dbraw/zinc/15/49/85/1205154985.db2.gz TYKPKBBMCQUISZ-RHSMWYFYSA-N 2 2 335.496 2.321 10 0 EEAELP CC(C)CCC[NH2+]C[C@@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001274760849 1205154986 /nfs/dbraw/zinc/15/49/86/1205154986.db2.gz TYKPKBBMCQUISZ-RHSMWYFYSA-N 2 2 335.496 2.321 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001275944179 1205597258 /nfs/dbraw/zinc/59/72/58/1205597258.db2.gz BQPWCKRWCUAWOE-CYBMUJFWSA-N 2 2 325.416 2.070 10 0 EEAELP C[C@H](CNC(=O)Cc1c[nH]c[nH+]1)[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001275944179 1205597260 /nfs/dbraw/zinc/59/72/60/1205597260.db2.gz BQPWCKRWCUAWOE-CYBMUJFWSA-N 2 2 325.416 2.070 10 0 EEAELP O=S(=O)(CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2)Cc1ccccc1 ZINC000925486584 1206118899 /nfs/dbraw/zinc/11/88/99/1206118899.db2.gz RQTAIDNDZNGVJK-QGZVFWFLSA-N 2 2 336.501 2.256 10 0 EEAELP CC1(C)[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925620655 1206136386 /nfs/dbraw/zinc/13/63/86/1206136386.db2.gz WSDDKPJBBOZLRB-HVMFNXBNSA-N 3 2 335.536 2.121 10 0 EEAELP CCC1(C[NH2+][C@@H]2C[NH2+]CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000925626284 1206137194 /nfs/dbraw/zinc/13/71/94/1206137194.db2.gz PIFOUXANXBQJTR-LJQANCHMSA-N 3 2 331.504 2.257 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842481 1206159276 /nfs/dbraw/zinc/15/92/76/1206159276.db2.gz JWSHOTJPDOSNLU-IJXRJRJASA-N 3 2 328.504 2.414 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925842481 1206159278 /nfs/dbraw/zinc/15/92/78/1206159278.db2.gz JWSHOTJPDOSNLU-IJXRJRJASA-N 3 2 328.504 2.414 10 0 EEAELP CC[C@@H](C[C@](C)(O)CC)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000926493103 1206224068 /nfs/dbraw/zinc/22/40/68/1206224068.db2.gz SWDQCWXRUSFJQV-XUVXKRRUSA-N 2 2 334.504 2.325 10 0 EEAELP CC[C@@H](C[C@](C)(O)CC)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000926493103 1206224069 /nfs/dbraw/zinc/22/40/69/1206224069.db2.gz SWDQCWXRUSFJQV-XUVXKRRUSA-N 2 2 334.504 2.325 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928101932 1206343875 /nfs/dbraw/zinc/34/38/75/1206343875.db2.gz FSQWOBHTKOBPSR-UONOGXRCSA-N 2 2 339.530 2.119 10 0 EEAELP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928101932 1206343876 /nfs/dbraw/zinc/34/38/76/1206343876.db2.gz FSQWOBHTKOBPSR-UONOGXRCSA-N 2 2 339.530 2.119 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000930226500 1206542906 /nfs/dbraw/zinc/54/29/06/1206542906.db2.gz AHHASUPAMGWGFP-DAYGRLMNSA-N 2 2 346.475 2.294 10 0 EEAELP C[C@@H](c1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)c1)[NH+]1CCOCC1 ZINC000930226500 1206542907 /nfs/dbraw/zinc/54/29/07/1206542907.db2.gz AHHASUPAMGWGFP-DAYGRLMNSA-N 2 2 346.475 2.294 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000090615829 1212922539 /nfs/dbraw/zinc/92/25/39/1212922539.db2.gz KYKAAQYXXVNNDW-UHFFFAOYSA-N 2 2 346.450 2.405 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c2cccc(F)c12 ZINC000090615829 1212922543 /nfs/dbraw/zinc/92/25/43/1212922543.db2.gz KYKAAQYXXVNNDW-UHFFFAOYSA-N 2 2 346.450 2.405 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC001276352891 1213896787 /nfs/dbraw/zinc/89/67/87/1213896787.db2.gz LAJMWEVNDUCMAZ-QGZVFWFLSA-N 2 2 326.444 2.386 10 0 EEAELP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1(C)C ZINC001413196186 1234684961 /nfs/dbraw/zinc/68/49/61/1234684961.db2.gz WWLMTDLYEXBUPN-HZPDHXFCSA-N 2 2 328.416 2.036 10 0 EEAELP CCCn1cc([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)nn1 ZINC000902921050 1239097744 /nfs/dbraw/zinc/09/77/44/1239097744.db2.gz OYOJFXHEUQDWHP-ZBFHGGJFSA-N 2 2 343.479 2.397 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001491062397 1258630285 /nfs/dbraw/zinc/63/02/85/1258630285.db2.gz HMLMTHQWTIYDNF-FPMFFAJLSA-N 2 2 347.850 2.074 10 0 EEAELP CO[C@@H](C[NH2+]C1CCC(NC(=O)CCc2c[nH]c[nH+]2)CC1)C1CCC1 ZINC001491352385 1258983714 /nfs/dbraw/zinc/98/37/14/1258983714.db2.gz SQCQURCLYFUQCV-HTWSVDAQSA-N 2 2 348.491 2.174 10 0 EEAELP CO[C@@H](C[NH2+]C1CCC(NC(=O)CCc2c[nH+]c[nH]2)CC1)C1CCC1 ZINC001491352385 1258983721 /nfs/dbraw/zinc/98/37/21/1258983721.db2.gz SQCQURCLYFUQCV-HTWSVDAQSA-N 2 2 348.491 2.174 10 0 EEAELP O=C(NC1CCC([NH2+]C/C=C/Cl)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001491356396 1258990063 /nfs/dbraw/zinc/99/00/63/1258990063.db2.gz NAFDVDZLHXJIRJ-XTJPSCMASA-N 2 2 336.867 2.215 10 0 EEAELP C[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]Cc1cccc(Cl)c1 ZINC001491507721 1259158755 /nfs/dbraw/zinc/15/87/55/1259158755.db2.gz KUEAKVDNEPFVED-ZFWWWQNUSA-N 2 2 346.862 2.393 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)O2 ZINC001273660697 1282577752 /nfs/dbraw/zinc/57/77/52/1282577752.db2.gz BUNQIPCWJGMDBF-KKSLTYSGSA-N 2 2 349.519 2.177 10 0 EEAELP CC/C=C\CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)O2 ZINC001273660697 1282577759 /nfs/dbraw/zinc/57/77/59/1282577759.db2.gz BUNQIPCWJGMDBF-KKSLTYSGSA-N 2 2 349.519 2.177 10 0 EEAELP CCOC(=O)/C=C/C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC001194205253 1282941549 /nfs/dbraw/zinc/94/15/49/1282941549.db2.gz ZOWSCFFLYIOKEO-VMPITWQZSA-N 2 2 325.412 2.476 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)Cc1[nH]cc[nH+]1 ZINC001273680483 1283220926 /nfs/dbraw/zinc/22/09/26/1283220926.db2.gz GLXYOELVAHKDII-CYBMUJFWSA-N 2 2 328.407 2.216 10 0 EEAELP CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001277884085 1305015271 /nfs/dbraw/zinc/01/52/71/1305015271.db2.gz WFNCARAPOMODMX-NVXWUHKLSA-N 2 2 332.492 2.462 10 0 EEAELP C[N@H+](CCCNC(=O)CCn1cc[nH+]c1)Cc1ccc2c(c1)CCC2 ZINC001490231932 1291048390 /nfs/dbraw/zinc/04/83/90/1291048390.db2.gz OURNUVZODLPTSH-UHFFFAOYSA-N 2 2 340.471 2.400 10 0 EEAELP C[N@@H+](CCCNC(=O)CCn1cc[nH+]c1)Cc1ccc2c(c1)CCC2 ZINC001490231932 1291048400 /nfs/dbraw/zinc/04/84/00/1291048400.db2.gz OURNUVZODLPTSH-UHFFFAOYSA-N 2 2 340.471 2.400 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[N@@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC001490386067 1291272600 /nfs/dbraw/zinc/27/26/00/1291272600.db2.gz JKIMGMAMUBKTIH-UHFFFAOYSA-N 2 2 348.397 2.401 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[N@H+](Cc1ccc(F)c(F)c1)C1CC1 ZINC001490386067 1291272603 /nfs/dbraw/zinc/27/26/03/1291272603.db2.gz JKIMGMAMUBKTIH-UHFFFAOYSA-N 2 2 348.397 2.401 10 0 EEAELP Cc1cccc(C2(O)CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)c1C ZINC000851783935 1291830972 /nfs/dbraw/zinc/83/09/72/1291830972.db2.gz IGGLYUIUAZTGJG-GOSISDBHSA-N 2 2 334.504 2.288 10 0 EEAELP Cc1cccc(C2(O)CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)c1C ZINC000851783935 1291830981 /nfs/dbraw/zinc/83/09/81/1291830981.db2.gz IGGLYUIUAZTGJG-GOSISDBHSA-N 2 2 334.504 2.288 10 0 EEAELP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)C=C1CC[NH2+]CC1 ZINC000852871513 1292223464 /nfs/dbraw/zinc/22/34/64/1292223464.db2.gz QFVPCLAIQQQQBP-UHFFFAOYSA-N 2 2 329.444 2.076 10 0 EEAELP CCOC(=O)[C@@H](CC)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856593054 1293576247 /nfs/dbraw/zinc/57/62/47/1293576247.db2.gz YZUAKNJOYUOUNQ-ZWKOTPCHSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@@H](CC)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856593054 1293576251 /nfs/dbraw/zinc/57/62/51/1293576251.db2.gz YZUAKNJOYUOUNQ-ZWKOTPCHSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@@H](CC)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856593054 1293576256 /nfs/dbraw/zinc/57/62/56/1293576256.db2.gz YZUAKNJOYUOUNQ-ZWKOTPCHSA-N 2 2 349.475 2.328 10 0 EEAELP CCOC(=O)[C@@H](CC)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856593054 1293576261 /nfs/dbraw/zinc/57/62/61/1293576261.db2.gz YZUAKNJOYUOUNQ-ZWKOTPCHSA-N 2 2 349.475 2.328 10 0 EEAELP Cn1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(Cl)n1 ZINC000856787465 1293631023 /nfs/dbraw/zinc/63/10/23/1293631023.db2.gz CUCWSUPFZNOVEU-UHFFFAOYSA-N 2 2 337.855 2.089 10 0 EEAELP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccnc(F)c2)c2ccccc2)CC1 ZINC000858123074 1294012570 /nfs/dbraw/zinc/01/25/70/1294012570.db2.gz WTLZRKPBPXRPMO-SFHVURJKSA-N 2 2 328.435 2.299 10 0 EEAELP C[NH+](CC[Si](C)(C)CC[N@@H+](C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000859137496 1294328249 /nfs/dbraw/zinc/32/82/49/1294328249.db2.gz MIAURNNZBLRDPV-UHFFFAOYSA-N 2 2 334.544 2.405 10 0 EEAELP C[NH+](CC[Si](C)(C)CC[N@H+](C)Cc1cc[nH]n1)Cc1cc[nH]n1 ZINC000859137496 1294328256 /nfs/dbraw/zinc/32/82/56/1294328256.db2.gz MIAURNNZBLRDPV-UHFFFAOYSA-N 2 2 334.544 2.405 10 0 EEAELP CCOCC[N@H+](CC1CC1)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001277394089 1302823583 /nfs/dbraw/zinc/82/35/83/1302823583.db2.gz YAUVBNSYLVLSCX-UHFFFAOYSA-N 2 2 348.491 2.000 10 0 EEAELP CCOCC[N@@H+](CC1CC1)C1CCN(C(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001277394089 1302823594 /nfs/dbraw/zinc/82/35/94/1302823594.db2.gz YAUVBNSYLVLSCX-UHFFFAOYSA-N 2 2 348.491 2.000 10 0 EEAELP C[C@@H](CN(C)C(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]CC1=CCCCC1 ZINC001277865146 1304967552 /nfs/dbraw/zinc/96/75/52/1304967552.db2.gz YKUDJWBVBVJZHB-DOTOQJQBSA-N 2 2 330.476 2.382 10 0 EEAELP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cn1 ZINC000799613820 1305328493 /nfs/dbraw/zinc/32/84/93/1305328493.db2.gz YKCBYGPAAWFVFT-KRWDZBQOSA-N 2 2 330.338 2.369 10 0 EEAELP CC(C)=CC[NH2+]C1(CNC(=O)c2cccc3[nH+]ccn32)CCOCC1 ZINC001278715203 1317825990 /nfs/dbraw/zinc/82/59/90/1317825990.db2.gz NTSFOIWZMBFHSV-UHFFFAOYSA-N 2 2 342.443 2.169 10 0 EEAELP O=C([C@@H]1CCc2[nH+]ccn2C1)N1CCCCC[C@@H]([NH2+]CCCF)C1 ZINC001264118363 1322631323 /nfs/dbraw/zinc/63/13/23/1322631323.db2.gz FVGPZEQLJHBFPC-HZPDHXFCSA-N 2 2 336.455 2.166 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC[NH+](CCOCC2CCC2)CC1 ZINC001265200819 1322981518 /nfs/dbraw/zinc/98/15/18/1322981518.db2.gz ZTWMQUXFVWKDOF-UHFFFAOYSA-N 2 2 348.491 2.000 10 0 EEAELP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265292574 1323042901 /nfs/dbraw/zinc/04/29/01/1323042901.db2.gz PCIUUQLFHHLUII-XHPSBEMXSA-N 2 2 334.464 2.287 10 0 EEAELP CCC/C=C\CC[N@H+]1CC[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001265292574 1323042906 /nfs/dbraw/zinc/04/29/06/1323042906.db2.gz PCIUUQLFHHLUII-XHPSBEMXSA-N 2 2 334.464 2.287 10 0 EEAELP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CC(F)(F)C(F)F)CC1 ZINC001265744570 1323360508 /nfs/dbraw/zinc/36/05/08/1323360508.db2.gz MXFNDROZCXVMJZ-UHFFFAOYSA-N 2 2 341.393 2.244 10 0 EEAELP CC(C)[N@@H+](C)CC(=O)NC1CCC([NH2+]CC(F)(F)C(F)F)CC1 ZINC001265744570 1323360512 /nfs/dbraw/zinc/36/05/12/1323360512.db2.gz MXFNDROZCXVMJZ-UHFFFAOYSA-N 2 2 341.393 2.244 10 0 EEAELP CC[C@H](C)C[N@H+](C)CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001265850756 1323425238 /nfs/dbraw/zinc/42/52/38/1323425238.db2.gz CHGIBYVJNKTMGG-YOEHRIQHSA-N 2 2 335.496 2.274 10 0 EEAELP CC[C@H](C)C[N@@H+](C)CCCNC(=O)c1cc([C@@H]2CCC[NH+]2C)n[nH]1 ZINC001265850756 1323425242 /nfs/dbraw/zinc/42/52/42/1323425242.db2.gz CHGIBYVJNKTMGG-YOEHRIQHSA-N 2 2 335.496 2.274 10 0 EEAELP CC[C@H](C)C[NH+](C)CCCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001265850756 1323425244 /nfs/dbraw/zinc/42/52/44/1323425244.db2.gz CHGIBYVJNKTMGG-YOEHRIQHSA-N 2 2 335.496 2.274 10 0 EEAELP CC[C@H](C)C[NH+](C)CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001265850756 1323425247 /nfs/dbraw/zinc/42/52/47/1323425247.db2.gz CHGIBYVJNKTMGG-YOEHRIQHSA-N 2 2 335.496 2.274 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@H+](C)Cc1ccccc1Cl ZINC001265954539 1323516677 /nfs/dbraw/zinc/51/66/77/1323516677.db2.gz REOOJDQQVXIPQX-UHFFFAOYSA-N 2 2 334.851 2.254 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCCC[N@@H+](C)Cc1ccccc1Cl ZINC001265954539 1323516683 /nfs/dbraw/zinc/51/66/83/1323516683.db2.gz REOOJDQQVXIPQX-UHFFFAOYSA-N 2 2 334.851 2.254 10 0 EEAELP CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001266059458 1323612610 /nfs/dbraw/zinc/61/26/10/1323612610.db2.gz JBICIIXLJAVVLH-HUUCEWRRSA-N 2 2 330.432 2.230 10 0 EEAELP CC1CC(C[N@H+](CCCNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C2CC2)C1 ZINC001266145490 1323715007 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Cc1c[nH+]c2cc(C(=O)N(C)CC[NH2+]Cc3cnccc3C)ccn12 ZINC001663931115 1355056031 /nfs/dbraw/zinc/05/60/31/1355056031.db2.gz CPMGYGUNVYNFDT-UHFFFAOYSA-N 2 2 337.427 2.208 10 0 EEAELP CN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001663991923 1355069474 /nfs/dbraw/zinc/06/94/74/1355069474.db2.gz DSDLSEJKYHIABX-HZPDHXFCSA-N 2 2 337.427 2.243 10 0 EEAELP CN(CC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001663991923 1355069478 /nfs/dbraw/zinc/06/94/78/1355069478.db2.gz DSDLSEJKYHIABX-HZPDHXFCSA-N 2 2 337.427 2.243 10 0 EEAELP O=C(NC1(C[NH2+]C/C=C/Cl)CCCC1)[C@H]1CCn2cc[nH+]c2C1 ZINC001665934101 1355412296 /nfs/dbraw/zinc/41/22/96/1355412296.db2.gz XIAUKJYSBQMKQR-RRFAQUSLSA-N 2 2 336.867 2.217 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@H](CC[NH2+]CC[C@H]2CCCO2)C1 ZINC001666167504 1355473894 /nfs/dbraw/zinc/47/38/94/1355473894.db2.gz LLRXMRFODONHTK-IAGOWNOFSA-N 2 2 348.491 2.048 10 0 EEAELP C[C@H](CC[NH2+]Cc1cc2ccccc2o1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001668223539 1355902179 /nfs/dbraw/zinc/90/21/79/1355902179.db2.gz AGCVAOFDCYOKHH-CYBMUJFWSA-N 2 2 326.400 2.383 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)no1 ZINC001668864940 1356027833 /nfs/dbraw/zinc/02/78/33/1356027833.db2.gz MPKYXPLQLKCOPP-WRFKIARRSA-N 2 2 346.475 2.152 10 0 EEAELP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)no1 ZINC001668864940 1356027839 /nfs/dbraw/zinc/02/78/39/1356027839.db2.gz MPKYXPLQLKCOPP-WRFKIARRSA-N 2 2 346.475 2.152 10 0 EEAELP C[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ncc(Cl)s1 ZINC001668888173 1356037160 /nfs/dbraw/zinc/03/71/60/1356037160.db2.gz VLNRPUZQQFBTIH-MVZIDQBPSA-N 2 2 342.896 2.043 10 0 EEAELP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]Cc1ncc(Cl)s1 ZINC001668888173 1356037167 /nfs/dbraw/zinc/03/71/67/1356037167.db2.gz VLNRPUZQQFBTIH-MVZIDQBPSA-N 2 2 342.896 2.043 10 0 EEAELP C[C@@H](C[NH2+]CCCc1ccccc1)NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001669595314 1356180695 /nfs/dbraw/zinc/18/06/95/1356180695.db2.gz IZRDLDKNHSGMJB-WMZOPIPTSA-N 2 2 340.471 2.173 10 0 EEAELP C[C@]1(C[NH2+]CCC(F)(F)F)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001671769977 1356411704 /nfs/dbraw/zinc/41/17/04/1356411704.db2.gz YOYHHOFRHCHOBB-CQSZACIVSA-N 2 2 332.370 2.054 10 0 EEAELP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC2(C[NH+](CC=C(C)C)C2)O1 ZINC001673543195 1356707781 /nfs/dbraw/zinc/70/77/81/1356707781.db2.gz QCXSYIJIGGHUIR-QGZVFWFLSA-N 2 2 337.508 2.034 10 0 EEAELP CCC[N@@H+](C)CCC(=O)NC[C@H]1CCC2(C[NH+](CC=C(C)C)C2)O1 ZINC001673543195 1356707783 /nfs/dbraw/zinc/70/77/83/1356707783.db2.gz QCXSYIJIGGHUIR-QGZVFWFLSA-N 2 2 337.508 2.034 10 0 EEAELP C[C@@H](CCC[NH2+]C[C@@H]1CCOC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001675925617 1357070977 /nfs/dbraw/zinc/07/09/77/1357070977.db2.gz OVRFRRRLLSXPHQ-KBPBESRZSA-N 2 2 330.432 2.088 10 0 EEAELP C[C@@H](CCC[NH2+]CCC(F)(F)F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001675974682 1357080247 /nfs/dbraw/zinc/08/02/47/1357080247.db2.gz ZYPDZDFBPXQTNZ-YNEHKIRRSA-N 2 2 346.397 2.351 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2[nH]cc[nH+]2)s1 ZINC001698921777 1405163514 /nfs/dbraw/zinc/16/35/14/1405163514.db2.gz WBSNEAGMXQINOF-CQSZACIVSA-N 2 2 347.488 2.278 10 0 EEAELP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001699111478 1405267034 /nfs/dbraw/zinc/26/70/34/1405267034.db2.gz BVKGRYGNYORXIR-NVXWUHKLSA-N 2 2 326.444 2.130 10 0 EEAELP CO[C@H](C[NH2+]CC[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1)C1CCC1 ZINC001699116133 1405271168 /nfs/dbraw/zinc/27/11/68/1405271168.db2.gz WAFHXCPUCSRJLG-FZKQIMNGSA-N 2 2 344.459 2.476 10 0 EEAELP CCc1nc(C)c(C[NH2+]CCCN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)o1 ZINC001699545550 1405380021 /nfs/dbraw/zinc/38/00/21/1405380021.db2.gz UWKFTVWXLFCZIQ-UHFFFAOYSA-N 2 2 347.463 2.184 10 0 EEAELP COCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699820096 1405506807 /nfs/dbraw/zinc/50/68/07/1405506807.db2.gz SPWWXSLNFDMKFA-SJLPKXTDSA-N 2 2 336.480 2.087 10 0 EEAELP COCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C1 ZINC001699820096 1405506813 /nfs/dbraw/zinc/50/68/13/1405506813.db2.gz SPWWXSLNFDMKFA-SJLPKXTDSA-N 2 2 336.480 2.087 10 0 EEAELP C[N@@H+]1CCO[C@@H]([C@H](NCc2cc(N)cc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000925771566 774284664 /nfs/dbraw/zinc/28/46/64/774284664.db2.gz MZDXWKYRUPKRQV-QZTJIDSGSA-N 2 2 346.862 2.479 10 0 EEAELP C[N@H+]1CCO[C@@H]([C@H](NCc2cc(N)cc[nH+]2)c2ccc(Cl)cc2)C1 ZINC000925771566 774284665 /nfs/dbraw/zinc/28/46/65/774284665.db2.gz MZDXWKYRUPKRQV-QZTJIDSGSA-N 2 2 346.862 2.479 10 0 EEAELP C[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C[C@H](C)[N@H+]1C ZINC000908436867 785412649 /nfs/dbraw/zinc/41/26/49/785412649.db2.gz YOGYTOXXJGVHDU-IYBDPMFKSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@@H]1CN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)C[C@H](C)[N@@H+]1C ZINC000908436867 785412660 /nfs/dbraw/zinc/41/26/60/785412660.db2.gz YOGYTOXXJGVHDU-IYBDPMFKSA-N 2 2 341.459 2.160 10 0 EEAELP C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000924832103 786947330 /nfs/dbraw/zinc/94/73/30/786947330.db2.gz KATZPKAJWUKRKK-YRWFTTLQSA-N 2 2 348.487 2.158 10 0 EEAELP CO/C(=C\c1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001144204905 789382881 /nfs/dbraw/zinc/38/28/81/789382881.db2.gz ZELVXZOFZAKIJX-MNDPQUGUSA-N 2 2 345.487 2.158 10 0 EEAELP CO/C(=C\c1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001144204905 789382889 /nfs/dbraw/zinc/38/28/89/789382889.db2.gz ZELVXZOFZAKIJX-MNDPQUGUSA-N 2 2 345.487 2.158 10 0 EEAELP CC(C)C[N@H+](C)CCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000845312704 789735117 /nfs/dbraw/zinc/73/51/17/789735117.db2.gz QCNXWJGNDOORPB-INIZCTEOSA-N 2 2 335.496 2.287 10 0 EEAELP CC(C)C[N@@H+](C)CCCNC(=O)N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000845312704 789735123 /nfs/dbraw/zinc/73/51/23/789735123.db2.gz QCNXWJGNDOORPB-INIZCTEOSA-N 2 2 335.496 2.287 10 0 EEAELP C[NH+](CC(=O)NCCC[N@@H+](C)Cc1ncc(Cl)s1)C1CCC1 ZINC001566462449 1125623244 /nfs/dbraw/zinc/62/32/44/1125623244.db2.gz VNQGZOACKMSFNY-UHFFFAOYSA-N 2 2 344.912 2.219 10 0 EEAELP C[NH+](CC(=O)NCCC[N@H+](C)Cc1ncc(Cl)s1)C1CCC1 ZINC001566462449 1125623246 /nfs/dbraw/zinc/62/32/46/1125623246.db2.gz VNQGZOACKMSFNY-UHFFFAOYSA-N 2 2 344.912 2.219 10 0 EEAELP C[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)Cc1ncc(Cl)s1 ZINC001566462449 1125623251 /nfs/dbraw/zinc/62/32/51/1125623251.db2.gz VNQGZOACKMSFNY-UHFFFAOYSA-N 2 2 344.912 2.219 10 0 EEAELP C[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)Cc1ncc(Cl)s1 ZINC001566462449 1125623254 /nfs/dbraw/zinc/62/32/54/1125623254.db2.gz VNQGZOACKMSFNY-UHFFFAOYSA-N 2 2 344.912 2.219 10 0 EEAELP C[N@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C2CC2)cc1 ZINC001566521599 1125694052 /nfs/dbraw/zinc/69/40/52/1125694052.db2.gz VPZINKSEYVXTOI-UHFFFAOYSA-N 2 2 326.444 2.399 10 0 EEAELP C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1)Cc1ccc(C2CC2)cc1 ZINC001566521599 1125694059 /nfs/dbraw/zinc/69/40/59/1125694059.db2.gz VPZINKSEYVXTOI-UHFFFAOYSA-N 2 2 326.444 2.399 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001436447931 1087867250 /nfs/dbraw/zinc/86/72/50/1087867250.db2.gz PVWHEHUIJKTHFH-LSDHHAIUSA-N 2 2 340.418 2.357 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH]c[nH+]2)CC[N@H+]1CC1CC(F)(F)C1 ZINC001436447931 1087867271 /nfs/dbraw/zinc/86/72/71/1087867271.db2.gz PVWHEHUIJKTHFH-LSDHHAIUSA-N 2 2 340.418 2.357 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@@H+]1CC1CC(F)(F)C1 ZINC001436447931 1087867291 /nfs/dbraw/zinc/86/72/91/1087867291.db2.gz PVWHEHUIJKTHFH-LSDHHAIUSA-N 2 2 340.418 2.357 10 0 EEAELP CC[C@@H]1[C@@H](NC(=O)CCc2c[nH+]c[nH]2)CC[N@H+]1CC1CC(F)(F)C1 ZINC001436447931 1087867319 /nfs/dbraw/zinc/86/73/19/1087867319.db2.gz PVWHEHUIJKTHFH-LSDHHAIUSA-N 2 2 340.418 2.357 10 0 EEAELP CO[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C1 ZINC001436477278 1087947976 /nfs/dbraw/zinc/94/79/76/1087947976.db2.gz ODRYSCMLDVRPOK-LSDHHAIUSA-N 2 2 336.480 2.083 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H]([NH2+]CC[C@@H](C)F)C3CC3)ccn12 ZINC001436781978 1088331788 /nfs/dbraw/zinc/33/17/88/1088331788.db2.gz BWVKFWUQZMHLOK-MLGOLLRUSA-N 2 2 332.423 2.489 10 0 EEAELP Cc1nc(C[NH2+][C@H](CNC(=O)C[C@H](C)n2cc[nH+]c2)C2CC2)cs1 ZINC001436810995 1088397899 /nfs/dbraw/zinc/39/78/99/1088397899.db2.gz FAPYWTUGAIVQMJ-BLLLJJGKSA-N 2 2 347.488 2.284 10 0 EEAELP CCC[N@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC001437768403 1090350034 /nfs/dbraw/zinc/35/00/34/1090350034.db2.gz YMXYDDWBPGHOAV-IBGZPJMESA-N 2 2 340.471 2.478 10 0 EEAELP CCC[N@@H+](CCNC(=O)Cc1c[nH+]cn1C)[C@H]1CCc2ccccc21 ZINC001437768403 1090350041 /nfs/dbraw/zinc/35/00/41/1090350041.db2.gz YMXYDDWBPGHOAV-IBGZPJMESA-N 2 2 340.471 2.478 10 0 EEAELP COc1cccc(C[NH+]2CC(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)c1C ZINC001438053586 1090622180 /nfs/dbraw/zinc/62/21/80/1090622180.db2.gz MXHNEPYPZHQQFA-SFHVURJKSA-N 2 2 345.487 2.178 10 0 EEAELP COc1cccc(C[NH+]2CC(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)c1C ZINC001438053586 1090622182 /nfs/dbraw/zinc/62/21/82/1090622182.db2.gz MXHNEPYPZHQQFA-SFHVURJKSA-N 2 2 345.487 2.178 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438142779 1090664983 /nfs/dbraw/zinc/66/49/83/1090664983.db2.gz QZDDRBRIKCBKNG-AWEZNQCLSA-N 2 2 330.476 2.217 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NCC1C[NH+](CC2CC3(CCC3)C2)C1 ZINC001438142779 1090664988 /nfs/dbraw/zinc/66/49/88/1090664988.db2.gz QZDDRBRIKCBKNG-AWEZNQCLSA-N 2 2 330.476 2.217 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2cccc(OC)c2)C1 ZINC001438272773 1090757702 /nfs/dbraw/zinc/75/77/02/1090757702.db2.gz KZPZMFLZAJFNSF-QGZVFWFLSA-N 2 2 342.443 2.015 10 0 EEAELP CCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC001438272773 1090757707 /nfs/dbraw/zinc/75/77/07/1090757707.db2.gz KZPZMFLZAJFNSF-QGZVFWFLSA-N 2 2 342.443 2.015 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CCCC1 ZINC001438396540 1090884444 /nfs/dbraw/zinc/88/44/44/1090884444.db2.gz JPLZXOMIFFTPEA-CQSZACIVSA-N 2 2 340.418 2.337 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccns1)[NH+]1CCCCCC1 ZINC001445813533 1091690675 /nfs/dbraw/zinc/69/06/75/1091690675.db2.gz MTGGKBAWXNCAGZ-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccns1)[NH+]1CCCCCC1 ZINC001445813533 1091690679 /nfs/dbraw/zinc/69/06/79/1091690679.db2.gz MTGGKBAWXNCAGZ-LSDHHAIUSA-N 2 2 338.521 2.344 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCn3c[nH+]cc3C2)c1 ZINC001439131379 1091777612 /nfs/dbraw/zinc/77/76/12/1091777612.db2.gz UZDHNEHUIPULOH-WBVHZDCISA-N 2 2 326.444 2.048 10 0 EEAELP Cc1csc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001439333348 1092021908 /nfs/dbraw/zinc/02/19/08/1092021908.db2.gz OIBUGFXNVDIZOK-HIFRSBDPSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1csc(C[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)n1 ZINC001439333348 1092021919 /nfs/dbraw/zinc/02/19/19/1092021919.db2.gz OIBUGFXNVDIZOK-HIFRSBDPSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1csc(C[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)n1 ZINC001439333348 1092021930 /nfs/dbraw/zinc/02/19/30/1092021930.db2.gz OIBUGFXNVDIZOK-HIFRSBDPSA-N 2 2 338.521 2.262 10 0 EEAELP Cc1csc(C[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)n1 ZINC001439333348 1092021941 /nfs/dbraw/zinc/02/19/41/1092021941.db2.gz OIBUGFXNVDIZOK-HIFRSBDPSA-N 2 2 338.521 2.262 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H](C[NH2+]C/C(Cl)=C\Cl)CC1 ZINC001440223155 1093302953 /nfs/dbraw/zinc/30/29/53/1093302953.db2.gz OWLSLFSVWQMPMB-YVXMKKGESA-N 2 2 345.274 2.467 10 0 EEAELP Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)o1 ZINC001448393208 1093388815 /nfs/dbraw/zinc/38/88/15/1093388815.db2.gz UHHMEWKXSTWAHQ-HUUCEWRRSA-N 2 2 336.480 2.212 10 0 EEAELP Cc1cnc([C@@H](C)[N@H+]2C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C2)o1 ZINC001448393208 1093388823 /nfs/dbraw/zinc/38/88/23/1093388823.db2.gz UHHMEWKXSTWAHQ-HUUCEWRRSA-N 2 2 336.480 2.212 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001448422654 1093432948 /nfs/dbraw/zinc/43/29/48/1093432948.db2.gz XNLHOVHEJHLEAW-WBVHZDCISA-N 2 2 334.508 2.471 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@H](NC(=O)Cc2c[nH+]cn2C)C(C)(C)C1 ZINC001448422654 1093432953 /nfs/dbraw/zinc/43/29/53/1093432953.db2.gz XNLHOVHEJHLEAW-WBVHZDCISA-N 2 2 334.508 2.471 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001448500167 1093527667 /nfs/dbraw/zinc/52/76/67/1093527667.db2.gz GTNBSIOJJWAVOM-YGUOUDRMSA-N 2 2 348.397 2.305 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2F)C1 ZINC001448500167 1093527669 /nfs/dbraw/zinc/52/76/69/1093527669.db2.gz GTNBSIOJJWAVOM-YGUOUDRMSA-N 2 2 348.397 2.305 10 0 EEAELP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cc(C2CC2)no1 ZINC001448731979 1093803465 /nfs/dbraw/zinc/80/34/65/1093803465.db2.gz MAVBDDFLXDJCIB-KBPBESRZSA-N 2 2 345.447 2.336 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CCF)CC1(C)C)c1ccccc1 ZINC001440622431 1093890548 /nfs/dbraw/zinc/89/05/48/1093890548.db2.gz OERNAYZVKVFVCA-IAGOWNOFSA-N 2 2 335.467 2.476 10 0 EEAELP C[C@@H](NC(=O)Cn1cc[nH+]c1)[C@H](C)[NH2+]Cc1cc(Cl)ccc1F ZINC001440852043 1094111203 /nfs/dbraw/zinc/11/12/03/1094111203.db2.gz OGKUXFGPSGCADZ-NWDGAFQWSA-N 2 2 338.814 2.359 10 0 EEAELP Cc1oc(-c2ccco2)nc1C[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001440962933 1094219754 /nfs/dbraw/zinc/21/97/54/1094219754.db2.gz OCJPPAMBNJXVJN-ZDUSSCGKSA-N 2 2 348.447 2.131 10 0 EEAELP Cc1oc(-c2ccco2)nc1C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001440962933 1094219759 /nfs/dbraw/zinc/21/97/59/1094219759.db2.gz OCJPPAMBNJXVJN-ZDUSSCGKSA-N 2 2 348.447 2.131 10 0 EEAELP C[C@H](CC(=O)N(C)C1CC([NH2+]Cc2ccc(F)cn2)C1)n1cc[nH+]c1 ZINC001449395782 1094373372 /nfs/dbraw/zinc/37/33/72/1094373372.db2.gz VQDIDPKAHBNNNI-NVPAJSRCSA-N 2 2 345.422 2.148 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)C1C[NH+](Cc2cccc(F)c2F)C1 ZINC001441181389 1094537277 /nfs/dbraw/zinc/53/72/77/1094537277.db2.gz FOPLOKWKEQTTGD-CYBMUJFWSA-N 2 2 348.397 2.106 10 0 EEAELP Cc1cccc(C)c1C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441289584 1094721292 /nfs/dbraw/zinc/72/12/92/1094721292.db2.gz YJCWSEWTDOOCIU-LUPIEILUSA-N 2 2 338.455 2.063 10 0 EEAELP Cc1cccc(C)c1C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3c[nH]c[nH+]3)[C@@H]2C1 ZINC001441289584 1094721300 /nfs/dbraw/zinc/72/13/00/1094721300.db2.gz YJCWSEWTDOOCIU-LUPIEILUSA-N 2 2 338.455 2.063 10 0 EEAELP C[C@H](CN(C)C(=O)Cc1cn2c([nH+]1)CCCC2)[NH2+]CC1CCCC1 ZINC001441507295 1095193732 /nfs/dbraw/zinc/19/37/32/1095193732.db2.gz FGCCFZZJUGVGGK-OAHLLOKOSA-N 2 2 332.492 2.389 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)C[C@@H](C)[NH2+]CC[C@@H]1CCCCO1 ZINC001441540752 1095259090 /nfs/dbraw/zinc/25/90/90/1095259090.db2.gz QJUQVBWXFMJZRA-WBVHZDCISA-N 2 2 349.475 2.028 10 0 EEAELP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH]c[nH+]2)cc1 ZINC001441593286 1095429512 /nfs/dbraw/zinc/42/95/12/1095429512.db2.gz MWBVQOZAFYOXMW-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)Cc2c[nH+]c[nH]2)cc1 ZINC001441593286 1095429517 /nfs/dbraw/zinc/42/95/17/1095429517.db2.gz MWBVQOZAFYOXMW-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C\Cl)C[C@H]21)c1ccccc1 ZINC001441735451 1095722203 /nfs/dbraw/zinc/72/22/03/1095722203.db2.gz NFPJWNUJWYVJLR-KCOGRUMVSA-N 2 2 333.863 2.088 10 0 EEAELP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21)c1ccccc1 ZINC001441735451 1095722217 /nfs/dbraw/zinc/72/22/17/1095722217.db2.gz NFPJWNUJWYVJLR-KCOGRUMVSA-N 2 2 333.863 2.088 10 0 EEAELP CC[C@H](F)C[N@@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001441869420 1095981513 /nfs/dbraw/zinc/98/15/13/1095981513.db2.gz KSUMZZBQOAQBIH-RLFYNMQTSA-N 2 2 336.455 2.214 10 0 EEAELP CC[C@H](F)C[N@H+]1CC[C@]2(NC(=O)CCc3[nH+]ccn3C)CCC[C@H]12 ZINC001441869420 1095981516 /nfs/dbraw/zinc/98/15/16/1095981516.db2.gz KSUMZZBQOAQBIH-RLFYNMQTSA-N 2 2 336.455 2.214 10 0 EEAELP COC[C@H](C)[NH2+][C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)CC1(C)C ZINC001441916894 1096095012 /nfs/dbraw/zinc/09/50/12/1096095012.db2.gz HKNGMYLJQPICTL-LRDDRELGSA-N 2 2 330.432 2.038 10 0 EEAELP CO[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccn3c(C)c[nH+]c3c2)CC1(C)C ZINC001441929924 1096117366 /nfs/dbraw/zinc/11/73/66/1096117366.db2.gz QPXYYAPSHMWZNB-GOEBONIOSA-N 2 2 344.459 2.118 10 0 EEAELP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1nc(C)oc1C ZINC001442756973 1097133638 /nfs/dbraw/zinc/13/36/38/1097133638.db2.gz QXBUBXUBOIFFRF-ZIAGYGMSSA-N 2 2 336.480 2.102 10 0 EEAELP CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1nc(C)oc1C ZINC001442756973 1097133640 /nfs/dbraw/zinc/13/36/40/1097133640.db2.gz QXBUBXUBOIFFRF-ZIAGYGMSSA-N 2 2 336.480 2.102 10 0 EEAELP Cc1cccnc1C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001442814976 1097201520 /nfs/dbraw/zinc/20/15/20/1097201520.db2.gz CZYLKFYVVGSOHU-IAGOWNOFSA-N 2 2 341.459 2.318 10 0 EEAELP Cc1cccnc1C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001442814976 1097201527 /nfs/dbraw/zinc/20/15/27/1097201527.db2.gz CZYLKFYVVGSOHU-IAGOWNOFSA-N 2 2 341.459 2.318 10 0 EEAELP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccon2)C1 ZINC001443185826 1097627641 /nfs/dbraw/zinc/62/76/41/1097627641.db2.gz UYIJYKWTKRNUES-QZTJIDSGSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccon2)C1 ZINC001443185826 1097627643 /nfs/dbraw/zinc/62/76/43/1097627643.db2.gz UYIJYKWTKRNUES-QZTJIDSGSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001443185826 1097627644 /nfs/dbraw/zinc/62/76/44/1097627644.db2.gz UYIJYKWTKRNUES-QZTJIDSGSA-N 2 2 348.491 2.362 10 0 EEAELP CCCN(C(=O)CC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccon2)C1 ZINC001443185826 1097627646 /nfs/dbraw/zinc/62/76/46/1097627646.db2.gz UYIJYKWTKRNUES-QZTJIDSGSA-N 2 2 348.491 2.362 10 0 EEAELP Cc1nc(C[NH2+]C[C@](C)(NC(=O)Cn2cc[nH+]c2)C2CC2)c(C)s1 ZINC001444177544 1098730995 /nfs/dbraw/zinc/73/09/95/1098730995.db2.gz WKUKSEIXXCRXQS-KRWDZBQOSA-N 2 2 347.488 2.031 10 0 EEAELP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001479735874 1098843901 /nfs/dbraw/zinc/84/39/01/1098843901.db2.gz ITMPFUHWUGINTM-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001479735874 1098843902 /nfs/dbraw/zinc/84/39/02/1098843902.db2.gz ITMPFUHWUGINTM-IRXDYDNUSA-N 2 2 332.492 2.414 10 0 EEAELP CO[C@H](C[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C1CCC1 ZINC001479737651 1098849054 /nfs/dbraw/zinc/84/90/54/1098849054.db2.gz KRNGXZYCAMKAEG-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP CO[C@H](C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1)C1CCC1 ZINC001479737651 1098849058 /nfs/dbraw/zinc/84/90/58/1098849058.db2.gz KRNGXZYCAMKAEG-ZWKOTPCHSA-N 2 2 348.491 2.080 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NCC1([NH2+]Cc2cncs2)CCCC1 ZINC001444526805 1099284367 /nfs/dbraw/zinc/28/43/67/1099284367.db2.gz OBQVVPNDZCERMO-CYBMUJFWSA-N 2 2 347.488 2.264 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NCC1([NH2+]Cc2cncs2)CCCC1 ZINC001444526805 1099284372 /nfs/dbraw/zinc/28/43/72/1099284372.db2.gz OBQVVPNDZCERMO-CYBMUJFWSA-N 2 2 347.488 2.264 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+]Cc1ncc(C(C)(C)C)o1 ZINC001444652805 1099486336 /nfs/dbraw/zinc/48/63/36/1099486336.db2.gz LNMJDSOHXPLMOP-CYBMUJFWSA-N 2 2 347.463 2.114 10 0 EEAELP CC(C)CCC[NH2+][C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001480030304 1099517776 /nfs/dbraw/zinc/51/77/76/1099517776.db2.gz LFLOXBNBGPDLNU-IRXDYDNUSA-N 2 2 332.492 2.366 10 0 EEAELP C[N@H+](CC[C@H]1CCCCO1)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480083373 1099633261 /nfs/dbraw/zinc/63/32/61/1099633261.db2.gz CLKIBOLUBRNSFE-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP C[N@@H+](CC[C@H]1CCCCO1)C[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001480083373 1099633266 /nfs/dbraw/zinc/63/32/66/1099633266.db2.gz CLKIBOLUBRNSFE-SJLPKXTDSA-N 2 2 348.491 2.082 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001480227341 1099848946 /nfs/dbraw/zinc/84/89/46/1099848946.db2.gz FSIDZPYLBHWVJS-XDQVBPFNSA-N 2 2 340.418 2.261 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H]2CCC(F)(F)C2)C1 ZINC001480227341 1099848957 /nfs/dbraw/zinc/84/89/57/1099848957.db2.gz FSIDZPYLBHWVJS-XDQVBPFNSA-N 2 2 340.418 2.261 10 0 EEAELP CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001480489294 1100301274 /nfs/dbraw/zinc/30/12/74/1100301274.db2.gz HDBJTTMORRRYII-CRAIPNDOSA-N 2 2 340.471 2.302 10 0 EEAELP C[C@H]1CCCC[C@@]1(C[NH2+]Cc1cscn1)NC(=O)Cn1cc[nH+]c1 ZINC001495334474 1101043722 /nfs/dbraw/zinc/04/37/22/1101043722.db2.gz SQRRGTOXPXTYOY-YOEHRIQHSA-N 2 2 347.488 2.195 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)CC1 ZINC001495464769 1101176188 /nfs/dbraw/zinc/17/61/88/1101176188.db2.gz ILYPRMZKAVGRLA-BZSNNMDCSA-N 2 2 348.491 2.107 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C[NH2+]CC1=CCCCC1 ZINC001495697831 1101452760 /nfs/dbraw/zinc/45/27/60/1101452760.db2.gz XEYOVUVYOZGUDD-NVXWUHKLSA-N 2 2 330.476 2.288 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1 ZINC001496099109 1102060381 /nfs/dbraw/zinc/06/03/81/1102060381.db2.gz YGGTZNBEKPWNCL-AWEZNQCLSA-N 2 2 345.418 2.409 10 0 EEAELP C[C@H](CC[NH2+][C@@H]1CCc2c1cc(F)cc2F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001497296873 1102272213 /nfs/dbraw/zinc/27/22/13/1102272213.db2.gz HRYCVIGQTNUTBV-BDJLRTHQSA-N 2 2 348.397 2.402 10 0 EEAELP Cc1cc(C)c(C[NH2+]CC[C@H](C)NC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC001497338180 1102349374 /nfs/dbraw/zinc/34/93/74/1102349374.db2.gz ZKMNCBPHYYEUPX-KRWDZBQOSA-N 2 2 328.460 2.493 10 0 EEAELP CCN(CC[NH2+]C[C@@H]1C[C@@]12CCOC2)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001497408818 1102445404 /nfs/dbraw/zinc/44/54/04/1102445404.db2.gz YKLHTUBRNHRTFU-HNAYVOBHSA-N 2 2 342.443 2.041 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001497466407 1102533299 /nfs/dbraw/zinc/53/32/99/1102533299.db2.gz SXONDKCEVCVWLE-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001497466407 1102533307 /nfs/dbraw/zinc/53/33/07/1102533307.db2.gz SXONDKCEVCVWLE-CQSZACIVSA-N 2 2 332.423 2.366 10 0 EEAELP Cc1ncc(C[NH2+]CC=CCNC(=O)c2cc3c[nH+]ccc3[nH]2)s1 ZINC001497611651 1102748513 /nfs/dbraw/zinc/74/85/13/1102748513.db2.gz PLBAAKXRUNZUSM-NSCUHMNNSA-N 2 2 341.440 2.404 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1coc(C2CC2)n1 ZINC001447628235 1102995492 /nfs/dbraw/zinc/99/54/92/1102995492.db2.gz DQINZTVBDBPBGX-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1Cc1coc(C2CC2)n1 ZINC001447628235 1102995497 /nfs/dbraw/zinc/99/54/97/1102995497.db2.gz DQINZTVBDBPBGX-GDBMZVCRSA-N 2 2 348.491 2.363 10 0 EEAELP Cc1cnc([C@H](C)[NH2+]C[C@@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)cn1 ZINC001497837683 1103172078 /nfs/dbraw/zinc/17/20/78/1103172078.db2.gz RANISNAVVGFMQG-OLZOCXBDSA-N 2 2 338.415 2.130 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001493976339 1103242045 /nfs/dbraw/zinc/24/20/45/1103242045.db2.gz DRKFJBAYGCALQH-OAHLLOKOSA-N 2 2 347.488 2.161 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001493976339 1103242056 /nfs/dbraw/zinc/24/20/56/1103242056.db2.gz DRKFJBAYGCALQH-OAHLLOKOSA-N 2 2 347.488 2.161 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)Cc2csc(Cl)n2)C1 ZINC001494158193 1103619254 /nfs/dbraw/zinc/61/92/54/1103619254.db2.gz XGFSDTXVVQZWSW-LBPRGKRZSA-N 2 2 344.912 2.029 10 0 EEAELP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2csc(Cl)n2)C1 ZINC001494158193 1103619260 /nfs/dbraw/zinc/61/92/60/1103619260.db2.gz XGFSDTXVVQZWSW-LBPRGKRZSA-N 2 2 344.912 2.029 10 0 EEAELP C[C@@H]([NH2+]CCc1ccc(Cl)cc1)[C@H](C)NC(=O)Cc1c[nH+]cn1C ZINC001447928368 1103621024 /nfs/dbraw/zinc/62/10/24/1103621024.db2.gz LKXFDZWOJXLOFT-KGLIPLIRSA-N 2 2 348.878 2.342 10 0 EEAELP Cc1ncsc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1 ZINC001447934047 1103635560 /nfs/dbraw/zinc/63/55/60/1103635560.db2.gz DGEBAJICDWCZLG-QWHCGFSZSA-N 2 2 335.477 2.111 10 0 EEAELP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001494273726 1103790323 /nfs/dbraw/zinc/79/03/23/1103790323.db2.gz WJUYQVASJYLQFH-OPCNFVSTSA-N 2 2 330.476 2.382 10 0 EEAELP CC/C=C\CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001494273726 1103790334 /nfs/dbraw/zinc/79/03/34/1103790334.db2.gz WJUYQVASJYLQFH-OPCNFVSTSA-N 2 2 330.476 2.382 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@H+](C)CCc2ccns2)c[nH+]1 ZINC001448033429 1103844757 /nfs/dbraw/zinc/84/47/57/1103844757.db2.gz DSDKPKITVKTMDO-AWEZNQCLSA-N 2 2 349.504 2.062 10 0 EEAELP Cc1cn(C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CCc2ccns2)c[nH+]1 ZINC001448033429 1103844775 /nfs/dbraw/zinc/84/47/75/1103844775.db2.gz DSDKPKITVKTMDO-AWEZNQCLSA-N 2 2 349.504 2.062 10 0 EEAELP Cc1nc(C(C)C)ccc1C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001448137187 1104083430 /nfs/dbraw/zinc/08/34/30/1104083430.db2.gz BGEVUDRKZVKPCY-HNNXBMFYSA-N 2 2 343.475 2.347 10 0 EEAELP Cc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1 ZINC001448137187 1104083441 /nfs/dbraw/zinc/08/34/41/1104083441.db2.gz BGEVUDRKZVKPCY-HNNXBMFYSA-N 2 2 343.475 2.347 10 0 EEAELP CC(C)[C@H](CCN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC1CC1 ZINC001448211042 1104182384 /nfs/dbraw/zinc/18/23/84/1104182384.db2.gz PYGUOLOGASRQTE-WMZOPIPTSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1ccc(C)c([C@H](C)[NH+]2CC(CNC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001494599736 1104187173 /nfs/dbraw/zinc/18/71/73/1104187173.db2.gz JNKFDOSWJFEFMB-HNNXBMFYSA-N 2 2 326.444 2.378 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001494793887 1104377051 /nfs/dbraw/zinc/37/70/51/1104377051.db2.gz ULRZBCGDEBWTLI-GOSISDBHSA-N 2 2 326.444 2.097 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC001494793887 1104377060 /nfs/dbraw/zinc/37/70/60/1104377060.db2.gz ULRZBCGDEBWTLI-GOSISDBHSA-N 2 2 326.444 2.097 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001495006284 1104650058 /nfs/dbraw/zinc/65/00/58/1104650058.db2.gz RXSRWQVIBZMHIC-LSDHHAIUSA-N 2 2 334.464 2.021 10 0 EEAELP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]Cc1ncc(C2CC2)o1 ZINC001495006284 1104650059 /nfs/dbraw/zinc/65/00/59/1104650059.db2.gz RXSRWQVIBZMHIC-LSDHHAIUSA-N 2 2 334.464 2.021 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](C[NH2+]CCc2ccccc2Cl)C1 ZINC001480672673 1106856311 /nfs/dbraw/zinc/85/63/11/1106856311.db2.gz XQODZFYFVJGWEN-AWEZNQCLSA-N 2 2 346.862 2.286 10 0 EEAELP C[C@@H](C[NH2+]CCc1ccc2ccccc2c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001498147385 1106984876 /nfs/dbraw/zinc/98/48/76/1106984876.db2.gz DKJVPVFIERMCOV-HNNXBMFYSA-N 2 2 336.439 2.442 10 0 EEAELP COCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480736196 1107012235 /nfs/dbraw/zinc/01/22/35/1107012235.db2.gz NPXJQXABOIQSEB-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP COCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1 ZINC001480736196 1107012247 /nfs/dbraw/zinc/01/22/47/1107012247.db2.gz NPXJQXABOIQSEB-DLBZAZTESA-N 2 2 336.480 2.184 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@@H](C)C[NH2+]CC[C@H]1CCCC1(F)F ZINC001498172333 1107023020 /nfs/dbraw/zinc/02/30/20/1107023020.db2.gz OQOIVXCCLBORGO-WCQYABFASA-N 2 2 328.407 2.180 10 0 EEAELP CC[C@H](F)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001498380828 1107424660 /nfs/dbraw/zinc/42/46/60/1107424660.db2.gz KLVYNRZUBGGKEJ-KGLIPLIRSA-N 2 2 340.443 2.069 10 0 EEAELP CC[C@H](F)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001498380828 1107424662 /nfs/dbraw/zinc/42/46/62/1107424662.db2.gz KLVYNRZUBGGKEJ-KGLIPLIRSA-N 2 2 340.443 2.069 10 0 EEAELP COc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001498400111 1107457251 /nfs/dbraw/zinc/45/72/51/1107457251.db2.gz OEEIFCVZUXEPSE-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)c1 ZINC001498400111 1107457254 /nfs/dbraw/zinc/45/72/54/1107457254.db2.gz OEEIFCVZUXEPSE-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001498400111 1107457258 /nfs/dbraw/zinc/45/72/58/1107457258.db2.gz OEEIFCVZUXEPSE-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP COc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)c1 ZINC001498400111 1107457264 /nfs/dbraw/zinc/45/72/64/1107457264.db2.gz OEEIFCVZUXEPSE-HUUCEWRRSA-N 2 2 344.459 2.234 10 0 EEAELP Cc1nc(C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)c(C)s1 ZINC001498427557 1107502604 /nfs/dbraw/zinc/50/26/04/1107502604.db2.gz XKMDHNIXGCBWOL-WFASDCNBSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)c(C)s1 ZINC001498427557 1107502609 /nfs/dbraw/zinc/50/26/09/1107502609.db2.gz XKMDHNIXGCBWOL-WFASDCNBSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)s1 ZINC001498427557 1107502618 /nfs/dbraw/zinc/50/26/18/1107502618.db2.gz XKMDHNIXGCBWOL-WFASDCNBSA-N 2 2 338.521 2.038 10 0 EEAELP Cc1nc(C[NH+](C)C[C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)c(C)s1 ZINC001498427557 1107502629 /nfs/dbraw/zinc/50/26/29/1107502629.db2.gz XKMDHNIXGCBWOL-WFASDCNBSA-N 2 2 338.521 2.038 10 0 EEAELP C[C@H](C[N@H+](C)CCc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001498464791 1107580197 /nfs/dbraw/zinc/58/01/97/1107580197.db2.gz BOBFZZCNHUCOKZ-CQSZACIVSA-N 2 2 334.851 2.216 10 0 EEAELP C[C@H](C[N@@H+](C)CCc1ccccc1Cl)NC(=O)Cn1cc[nH+]c1 ZINC001498464791 1107580203 /nfs/dbraw/zinc/58/02/03/1107580203.db2.gz BOBFZZCNHUCOKZ-CQSZACIVSA-N 2 2 334.851 2.216 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1F ZINC001493157757 1107608618 /nfs/dbraw/zinc/60/86/18/1107608618.db2.gz ALUHOVSFIBMOAX-MRXNPFEDSA-N 2 2 337.414 2.141 10 0 EEAELP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1F ZINC001493157757 1107608626 /nfs/dbraw/zinc/60/86/26/1107608626.db2.gz ALUHOVSFIBMOAX-MRXNPFEDSA-N 2 2 337.414 2.141 10 0 EEAELP Cc1ccc(CC[N@@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001493167544 1107626952 /nfs/dbraw/zinc/62/69/52/1107626952.db2.gz JEOCQWSBOMEXKY-SFHVURJKSA-N 2 2 326.444 2.015 10 0 EEAELP Cc1ccc(CC[N@H+]2CCC[C@H]2CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001493167544 1107626958 /nfs/dbraw/zinc/62/69/58/1107626958.db2.gz JEOCQWSBOMEXKY-SFHVURJKSA-N 2 2 326.444 2.015 10 0 EEAELP C[C@@H]1C[C@H](C[NH2+]CCCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001498588457 1107767582 /nfs/dbraw/zinc/76/75/82/1107767582.db2.gz UBQUSWOLWCRECT-HUUCEWRRSA-N 2 2 344.459 2.430 10 0 EEAELP CCc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)cc1 ZINC001493585719 1108359890 /nfs/dbraw/zinc/35/98/90/1108359890.db2.gz ZQVBKKVFZIZIDD-QZTJIDSGSA-N 2 2 340.471 2.366 10 0 EEAELP CCc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)cc1 ZINC001493585719 1108359904 /nfs/dbraw/zinc/35/99/04/1108359904.db2.gz ZQVBKKVFZIZIDD-QZTJIDSGSA-N 2 2 340.471 2.366 10 0 EEAELP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001460778970 1110323776 /nfs/dbraw/zinc/32/37/76/1110323776.db2.gz YWROREQZVZWNTK-IBGZPJMESA-N 2 2 336.451 2.401 10 0 EEAELP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001471521028 1110524167 /nfs/dbraw/zinc/52/41/67/1110524167.db2.gz XMHUDTNGXONOOQ-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccc(F)c1 ZINC001471521028 1110524168 /nfs/dbraw/zinc/52/41/68/1110524168.db2.gz XMHUDTNGXONOOQ-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC001471521028 1110524169 /nfs/dbraw/zinc/52/41/69/1110524169.db2.gz XMHUDTNGXONOOQ-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP CC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1 ZINC001471521028 1110524170 /nfs/dbraw/zinc/52/41/70/1110524170.db2.gz XMHUDTNGXONOOQ-MSOLQXFVSA-N 2 2 333.451 2.391 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001499919920 1112541051 /nfs/dbraw/zinc/54/10/51/1112541051.db2.gz ZMSQXZGYWXYMFH-MOPGFXCFSA-N 2 2 349.519 2.177 10 0 EEAELP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001499919920 1112541055 /nfs/dbraw/zinc/54/10/55/1112541055.db2.gz ZMSQXZGYWXYMFH-MOPGFXCFSA-N 2 2 349.519 2.177 10 0 EEAELP CCc1cnc(C[N@@H+]2CC[C@](C)(NC(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001500226308 1112688202 /nfs/dbraw/zinc/68/82/02/1112688202.db2.gz AWHKIRQUTYTNFV-KXBFYZLASA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[N@H+]2CC[C@](C)(NC(=O)CC[C@@H]3CCC[NH+]3C)C2)o1 ZINC001500226308 1112688203 /nfs/dbraw/zinc/68/82/03/1112688203.db2.gz AWHKIRQUTYTNFV-KXBFYZLASA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@](C)(NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC001500226308 1112688204 /nfs/dbraw/zinc/68/82/04/1112688204.db2.gz AWHKIRQUTYTNFV-KXBFYZLASA-N 2 2 348.491 2.192 10 0 EEAELP CCc1cnc(C[NH+]2CC[C@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC001500226308 1112688205 /nfs/dbraw/zinc/68/82/05/1112688205.db2.gz AWHKIRQUTYTNFV-KXBFYZLASA-N 2 2 348.491 2.192 10 0 EEAELP CC(C)=CC(=O)NCC[NH+]1CCC([NH2+]CCc2cccs2)CC1 ZINC001501247535 1113261100 /nfs/dbraw/zinc/26/11/00/1113261100.db2.gz PAJNWNJOZFVXBE-UHFFFAOYSA-N 2 2 335.517 2.427 10 0 EEAELP C[N@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccon1)CC(C)(C)C ZINC001501399459 1113343205 /nfs/dbraw/zinc/34/32/05/1113343205.db2.gz HICHKFTXPPRRJM-IAGOWNOFSA-N 2 2 348.491 2.218 10 0 EEAELP C[N@@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2Cc1ccon1)CC(C)(C)C ZINC001501399459 1113343208 /nfs/dbraw/zinc/34/32/08/1113343208.db2.gz HICHKFTXPPRRJM-IAGOWNOFSA-N 2 2 348.491 2.218 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccon1)CC(C)(C)C ZINC001501399459 1113343213 /nfs/dbraw/zinc/34/32/13/1113343213.db2.gz HICHKFTXPPRRJM-IAGOWNOFSA-N 2 2 348.491 2.218 10 0 EEAELP C[NH+](CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccon1)CC(C)(C)C ZINC001501399459 1113343218 /nfs/dbraw/zinc/34/32/18/1113343218.db2.gz HICHKFTXPPRRJM-IAGOWNOFSA-N 2 2 348.491 2.218 10 0 EEAELP CN(CCC[N@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001502384948 1113658201 /nfs/dbraw/zinc/65/82/01/1113658201.db2.gz DMZYGSYUTCXSEQ-GFCCVEGCSA-N 2 2 347.290 2.316 10 0 EEAELP CN(CCC[N@@H+](C)CC[C@@H]1CC1(Cl)Cl)C(=O)Cc1[nH]cc[nH+]1 ZINC001502384948 1113658205 /nfs/dbraw/zinc/65/82/05/1113658205.db2.gz DMZYGSYUTCXSEQ-GFCCVEGCSA-N 2 2 347.290 2.316 10 0 EEAELP CC/C=C/CC[NH+]1CC2(C1)CN(C(=O)CC[NH+]1CCCCC1)CCO2 ZINC001502423834 1113676726 /nfs/dbraw/zinc/67/67/26/1113676726.db2.gz MSNURCDRZXTCOA-ONEGZZNKSA-N 2 2 349.519 2.132 10 0 EEAELP Cc1ncccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001505652005 1114109718 /nfs/dbraw/zinc/10/97/18/1114109718.db2.gz CUQADIJZXUYDIE-ZIAGYGMSSA-N 2 2 337.427 2.334 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)[C@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)s1 ZINC001505700864 1114139159 /nfs/dbraw/zinc/13/91/59/1114139159.db2.gz DUPDOXFEEAJZGX-KGLIPLIRSA-N 2 2 349.504 2.454 10 0 EEAELP Cc1ncsc1CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001506018335 1114348280 /nfs/dbraw/zinc/34/82/80/1114348280.db2.gz YRCCNEPBIJUZRZ-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1 ZINC001506018335 1114348283 /nfs/dbraw/zinc/34/82/83/1114348283.db2.gz YRCCNEPBIJUZRZ-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001506018335 1114348287 /nfs/dbraw/zinc/34/82/87/1114348287.db2.gz YRCCNEPBIJUZRZ-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1ncsc1CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)Cc1c[nH+]c[nH]1 ZINC001506018335 1114348291 /nfs/dbraw/zinc/34/82/91/1114348291.db2.gz YRCCNEPBIJUZRZ-CHWSQXEVSA-N 2 2 349.504 2.032 10 0 EEAELP Cc1cc(C)cc(OCC[N@@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001506069644 1114393553 /nfs/dbraw/zinc/39/35/53/1114393553.db2.gz SJBZSQKAQVBGPB-KRWDZBQOSA-N 2 2 344.459 2.015 10 0 EEAELP Cc1cc(C)cc(OCC[N@H+](C)[C@@H](C)CNC(=O)Cn2cc[nH+]c2)c1 ZINC001506069644 1114393554 /nfs/dbraw/zinc/39/35/54/1114393554.db2.gz SJBZSQKAQVBGPB-KRWDZBQOSA-N 2 2 344.459 2.015 10 0 EEAELP C[C@H]1C[C@@H](C[NH2+]CC2(NC(=O)Cc3[nH]cc[nH+]3)CCCCC2)CCO1 ZINC001506523978 1114673102 /nfs/dbraw/zinc/67/31/02/1114673102.db2.gz PRASJLADLGUNJZ-HOTGVXAUSA-N 2 2 348.491 2.176 10 0 EEAELP Cc1cc(F)ccc1C[NH2+]C[C@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001506892703 1114954957 /nfs/dbraw/zinc/95/49/57/1114954957.db2.gz RMJWZBNVFHUVQJ-RZDIXWSQSA-N 2 2 344.434 2.405 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]Cc2cncc(F)c2)c[nH+]1 ZINC001507089213 1115102265 /nfs/dbraw/zinc/10/22/65/1115102265.db2.gz YLRNFXKWGGNVFO-CYBMUJFWSA-N 2 2 347.438 2.097 10 0 EEAELP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001507311138 1115186297 /nfs/dbraw/zinc/18/62/97/1115186297.db2.gz VPTXJHYTEDYXCJ-JKSUJKDBSA-N 2 2 330.476 2.307 10 0 EEAELP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001568197985 1124350886 /nfs/dbraw/zinc/35/08/86/1124350886.db2.gz DXVLTNPRGODBKO-OAHLLOKOSA-N 2 2 328.460 2.493 10 0 EEAELP C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001568282102 1124402635 /nfs/dbraw/zinc/40/26/35/1124402635.db2.gz CJSMHTRZFWJBCJ-RDJZCZTQSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1F ZINC001568545098 1124604546 /nfs/dbraw/zinc/60/45/46/1124604546.db2.gz LNWCISVZUZAXLU-AEFFLSMTSA-N 2 2 344.434 2.139 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]CCc1ccccc1F ZINC001568545099 1124604765 /nfs/dbraw/zinc/60/47/65/1124604765.db2.gz LNWCISVZUZAXLU-FUHWJXTLSA-N 2 2 344.434 2.139 10 0 EEAELP O=C(N[C@H](C[NH2+]CC[C@H]1CCCO1)C1CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001569308235 1125222036 /nfs/dbraw/zinc/22/20/36/1125222036.db2.gz XSYKXVSAPDGVCN-CRAIPNDOSA-N 2 2 342.443 2.230 10 0 EEAELP CC[C@H](C)NC(=O)CC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422700247 240181425 /nfs/dbraw/zinc/18/14/25/240181425.db2.gz GDBDLPILEIXIGX-POZUXBRTSA-N 2 2 333.476 2.383 10 0 EEAELP COc1cccc(N2CCC[C@H]([NH2+][C@H](C)C[C@@H]3COCC[NH2+]3)C2)c1 ZINC000422772948 240219156 /nfs/dbraw/zinc/21/91/56/240219156.db2.gz ZVTXGGIAHUQROU-IXDOHACOSA-N 2 2 333.476 2.021 10 0 EEAELP Cc1ccccc1C1(C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)CCOCC1 ZINC000422875714 240270873 /nfs/dbraw/zinc/27/08/73/240270873.db2.gz CYBJRZQGYFVPHA-WOJBJXKFSA-N 2 2 344.499 2.400 10 0 EEAELP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422895112 240278644 /nfs/dbraw/zinc/27/86/44/240278644.db2.gz DYWCOAIUJHJCHJ-LEWJYISDSA-N 3 2 343.515 2.316 10 0 EEAELP Clc1cc(C[NH2+][C@H]2CC[NH2+]C2)ccc1I ZINC000423112721 240371443 /nfs/dbraw/zinc/37/14/43/240371443.db2.gz KCFUVNYZBAMEBJ-VIFPVBQESA-N 2 2 336.604 2.396 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000426610123 241316612 /nfs/dbraw/zinc/31/66/12/241316612.db2.gz JNABIDILDXTKDV-AWEZNQCLSA-N 2 2 346.466 2.232 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC000426610123 241316614 /nfs/dbraw/zinc/31/66/14/241316614.db2.gz JNABIDILDXTKDV-AWEZNQCLSA-N 2 2 346.466 2.232 10 0 EEAELP Cc1nccnc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000446831441 242224534 /nfs/dbraw/zinc/22/45/34/242224534.db2.gz FCBBSVAETXQWSM-APWZRJJASA-N 2 2 326.444 2.073 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000459185982 245027044 /nfs/dbraw/zinc/02/70/44/245027044.db2.gz TXAMZZLBRGOEEO-UHFFFAOYSA-N 2 2 347.507 2.260 10 0 EEAELP O=C1[C@@H]([NH+]2CCC3(CC[NH2+]3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000422625077 284973097 /nfs/dbraw/zinc/97/30/97/284973097.db2.gz APMDVEASOXMYCJ-KRWDZBQOSA-N 2 2 349.425 2.284 10 0 EEAELP Cc1nn(C)c2nc[nH+]c(Nc3ccc(N4CC[NH+](C)CC4)cc3)c12 ZINC000057760042 132201247 /nfs/dbraw/zinc/20/12/47/132201247.db2.gz IMZNDVNJZHZCLH-UHFFFAOYSA-N 2 2 337.431 2.167 10 0 EEAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374213789 154006813 /nfs/dbraw/zinc/00/68/13/154006813.db2.gz VXUHGOLMYADIIX-LBPRGKRZSA-N 2 2 342.399 2.345 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000081445045 159152564 /nfs/dbraw/zinc/15/25/64/159152564.db2.gz PQCMJWHTYJJBLX-UHFFFAOYSA-N 2 2 348.491 2.190 10 0 EEAELP C[NH+](C)C1CC[NH+](Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000091670859 159206611 /nfs/dbraw/zinc/20/66/11/159206611.db2.gz VCGSVTJNDQWUNC-UHFFFAOYSA-N 2 2 345.487 2.118 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2Cc3ccccc3C3(CC3)C2)CC1 ZINC000186199128 160062391 /nfs/dbraw/zinc/06/23/91/160062391.db2.gz PHPVGAYLFGETGL-INIZCTEOSA-N 2 2 327.472 2.086 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2Cc3ccccc3C3(CC3)C2)CC1 ZINC000186199128 160062392 /nfs/dbraw/zinc/06/23/92/160062392.db2.gz PHPVGAYLFGETGL-INIZCTEOSA-N 2 2 327.472 2.086 10 0 EEAELP NC(=O)c1coc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000187728338 160108072 /nfs/dbraw/zinc/10/80/72/160108072.db2.gz LPALFIYKOTZHRU-UHFFFAOYSA-N 2 2 345.418 2.314 10 0 EEAELP CCO[C@@H]1C[C@@](O)(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)C1(C)C ZINC000189431606 160141388 /nfs/dbraw/zinc/14/13/88/160141388.db2.gz AFCCTLWRUJZRRN-UYAOXDASSA-N 2 2 347.503 2.202 10 0 EEAELP C[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000194659220 160197883 /nfs/dbraw/zinc/19/78/83/160197883.db2.gz MCQNGYOVRMJHNN-KFWWJZLASA-N 2 2 327.432 2.145 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000341801654 161014729 /nfs/dbraw/zinc/01/47/29/161014729.db2.gz XQZYSFNIOSMAPD-GOSISDBHSA-N 2 2 345.487 2.214 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(Cl)c(F)c2)CC1 ZINC000344399594 161223645 /nfs/dbraw/zinc/22/36/45/161223645.db2.gz QIGJSZNZGSCGPR-UHFFFAOYSA-N 2 2 341.858 2.164 10 0 EEAELP c1cn(CC2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)nn1 ZINC000346145711 161361109 /nfs/dbraw/zinc/36/11/09/161361109.db2.gz DGYQWZXRWGYOHR-UHFFFAOYSA-N 2 2 328.445 2.438 10 0 EEAELP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101729 166050441 /nfs/dbraw/zinc/05/04/41/166050441.db2.gz KZGUKJJRHRZNCG-CHWSQXEVSA-N 2 2 328.416 2.283 10 0 EEAELP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101729 166050443 /nfs/dbraw/zinc/05/04/43/166050443.db2.gz KZGUKJJRHRZNCG-CHWSQXEVSA-N 2 2 328.416 2.283 10 0 EEAELP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCc2[nH+]ccn2C1 ZINC000364431613 165134964 /nfs/dbraw/zinc/13/49/64/165134964.db2.gz WHXAZQFIUIXMJL-SFHVURJKSA-N 2 2 338.455 2.358 10 0 EEAELP CC[NH+](CC)[C@H](CNC(=O)N1CCn2cc(C)[nH+]c2C1)c1ccco1 ZINC000364683870 165231631 /nfs/dbraw/zinc/23/16/31/165231631.db2.gz GWLPLKLHRQHGLB-OAHLLOKOSA-N 2 2 345.447 2.393 10 0 EEAELP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288621006 275076840 /nfs/dbraw/zinc/07/68/40/275076840.db2.gz RSBOEFISMPOHKM-UHFFFAOYSA-N 3 2 343.475 2.163 10 0 EEAELP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCCO2 ZINC000151254118 295271711 /nfs/dbraw/zinc/27/17/11/295271711.db2.gz WKWFBIHVWNAIDT-QAPCUYQASA-N 2 2 334.460 2.345 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416860714 313339455 /nfs/dbraw/zinc/33/94/55/313339455.db2.gz WACMYMYSQQZOIO-INIZCTEOSA-N 2 2 341.459 2.271 10 0 EEAELP Cc1[nH+]c2ccccc2n1CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000416863523 313339902 /nfs/dbraw/zinc/33/99/02/313339902.db2.gz ZYALGMNDBVDQED-DZGCQCFKSA-N 2 2 329.448 2.032 10 0 EEAELP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418603013 313858024 /nfs/dbraw/zinc/85/80/24/313858024.db2.gz WJGQIJXRVGYVKP-IJEWVQPXSA-N 2 2 336.505 2.134 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)CC[C@H](C(=O)N(C)CC1CC[NH+](C)CC1)C2 ZINC000527244067 317172264 /nfs/dbraw/zinc/17/22/64/317172264.db2.gz ZBIQHGZMZVBMFM-HNNXBMFYSA-N 2 2 332.492 2.438 10 0 EEAELP CC(C)c1[nH]c2c([nH+]1)C[C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)CC2 ZINC000527244067 317172265 /nfs/dbraw/zinc/17/22/65/317172265.db2.gz ZBIQHGZMZVBMFM-HNNXBMFYSA-N 2 2 332.492 2.438 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000527775377 317261173 /nfs/dbraw/zinc/26/11/73/317261173.db2.gz SUHKGMODUTUAJE-VDZJLULYSA-N 2 2 329.488 2.484 10 0 EEAELP COc1ccc(CN2CC[C@@H]2C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000527775377 317261175 /nfs/dbraw/zinc/26/11/75/317261175.db2.gz SUHKGMODUTUAJE-VDZJLULYSA-N 2 2 329.488 2.484 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527777402 317261274 /nfs/dbraw/zinc/26/12/74/317261274.db2.gz NHSUYELZLBFPTC-INIZCTEOSA-N 2 2 333.480 2.355 10 0 EEAELP CC(C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CCCC1 ZINC000528014014 317303478 /nfs/dbraw/zinc/30/34/78/317303478.db2.gz PALHVQXXTIZYAV-UHFFFAOYSA-N 2 2 344.503 2.284 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000528420768 317381383 /nfs/dbraw/zinc/38/13/83/317381383.db2.gz BKFNCIXLTWQEKV-HNNXBMFYSA-N 2 2 328.416 2.223 10 0 EEAELP CN(CCC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cc[nH+]cc1 ZINC000543715820 318168038 /nfs/dbraw/zinc/16/80/38/318168038.db2.gz IFIUXTMFRVKFAG-UHFFFAOYSA-N 2 2 339.443 2.088 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1c1ccccc1 ZINC000544622129 318193289 /nfs/dbraw/zinc/19/32/89/318193289.db2.gz RXGDOKNOHMHUMU-XLIONFOSSA-N 2 2 338.455 2.324 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1c1ccccc1 ZINC000544622129 318193293 /nfs/dbraw/zinc/19/32/93/318193293.db2.gz RXGDOKNOHMHUMU-XLIONFOSSA-N 2 2 338.455 2.324 10 0 EEAELP COc1cc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)ccc1C ZINC000564405669 319082885 /nfs/dbraw/zinc/08/28/85/319082885.db2.gz PHYGBHFTLZVQRM-INIZCTEOSA-N 2 2 342.443 2.018 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)c1 ZINC000568737859 319514495 /nfs/dbraw/zinc/51/44/95/319514495.db2.gz UWVCLMDPVVDHRO-GOSISDBHSA-N 2 2 337.427 2.115 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000574923904 320071679 /nfs/dbraw/zinc/07/16/79/320071679.db2.gz GWXBVTXWSWCUPT-UHFFFAOYSA-N 2 2 326.391 2.062 10 0 EEAELP C[NH+](C)C[C@H](Cc1ccccc1)[NH2+]CCC(=O)Nc1cccnc1 ZINC000575850206 320119393 /nfs/dbraw/zinc/11/93/93/320119393.db2.gz BPFNTNHDBFDHOY-SFHVURJKSA-N 2 2 326.444 2.173 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577474024 320257145 /nfs/dbraw/zinc/25/71/45/320257145.db2.gz LPABQFLDAKZZGP-JKSUJKDBSA-N 2 2 333.480 2.070 10 0 EEAELP CCn1c2cccc(F)c2nc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000577518518 320260775 /nfs/dbraw/zinc/26/07/75/320260775.db2.gz GGDGWEPWTKCTDJ-AWEZNQCLSA-N 2 2 346.450 2.383 10 0 EEAELP CCn1c2cccc(F)c2nc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000577518518 320260777 /nfs/dbraw/zinc/26/07/77/320260777.db2.gz GGDGWEPWTKCTDJ-AWEZNQCLSA-N 2 2 346.450 2.383 10 0 EEAELP [NH3+]CC(F)(F)CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000579487944 323864170 /nfs/dbraw/zinc/86/41/70/323864170.db2.gz ROZNZRSSPCBSLT-UHFFFAOYSA-N 2 2 345.821 2.405 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000581260104 324217438 /nfs/dbraw/zinc/21/74/38/324217438.db2.gz YUYBMOGHPZJMQU-OAHLLOKOSA-N 2 2 335.517 2.418 10 0 EEAELP CC1(C)C[NH+](CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000581260104 324217443 /nfs/dbraw/zinc/21/74/43/324217443.db2.gz YUYBMOGHPZJMQU-OAHLLOKOSA-N 2 2 335.517 2.418 10 0 EEAELP CN(Cc1ccoc1)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000341237096 465068766 /nfs/dbraw/zinc/06/87/66/465068766.db2.gz CDHKFPRXNXOCKN-UHFFFAOYSA-N 2 2 348.491 2.371 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000296070403 465071375 /nfs/dbraw/zinc/07/13/75/465071375.db2.gz DCKDYMJNPLGQGJ-UHFFFAOYSA-N 2 2 341.459 2.367 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000358400586 465100152 /nfs/dbraw/zinc/10/01/52/465100152.db2.gz MYVGUJUJYXPAJI-OSAQELSMSA-N 2 2 341.377 2.350 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000358400586 465100158 /nfs/dbraw/zinc/10/01/58/465100158.db2.gz MYVGUJUJYXPAJI-OSAQELSMSA-N 2 2 341.377 2.350 10 0 EEAELP CS[C@@H](C)CCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000358496676 465159331 /nfs/dbraw/zinc/15/93/31/465159331.db2.gz VVKURWVQLCCZEO-PMRDEQMMSA-N 2 2 339.549 2.288 10 0 EEAELP CS[C@@H](C)CCC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000358496676 465159337 /nfs/dbraw/zinc/15/93/37/465159337.db2.gz VVKURWVQLCCZEO-PMRDEQMMSA-N 2 2 339.549 2.288 10 0 EEAELP CCCC[C@H](COC)[NH2+]C[C@@H]1C[C@@H](F)CN1Cc1[nH+]ccn1C ZINC000354859348 465197360 /nfs/dbraw/zinc/19/73/60/465197360.db2.gz CXRLCZBYIGVEAM-OAGGEKHMSA-N 2 2 326.460 2.127 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000298117198 465306213 /nfs/dbraw/zinc/30/62/13/465306213.db2.gz NDVFGEVOEYXKHX-INIZCTEOSA-N 2 2 345.447 2.014 10 0 EEAELP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712010 465311031 /nfs/dbraw/zinc/31/10/31/465311031.db2.gz MJORWCCOUQNLKB-ROUUACIJSA-N 2 2 334.435 2.318 10 0 EEAELP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712010 465311034 /nfs/dbraw/zinc/31/10/34/465311034.db2.gz MJORWCCOUQNLKB-ROUUACIJSA-N 2 2 334.435 2.318 10 0 EEAELP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712010 465311036 /nfs/dbraw/zinc/31/10/36/465311036.db2.gz MJORWCCOUQNLKB-ROUUACIJSA-N 2 2 334.435 2.318 10 0 EEAELP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1)C1CC1 ZINC000351712010 465311038 /nfs/dbraw/zinc/31/10/38/465311038.db2.gz MJORWCCOUQNLKB-ROUUACIJSA-N 2 2 334.435 2.318 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129922 468300909 /nfs/dbraw/zinc/30/09/09/468300909.db2.gz LWALSANERYTQKI-RCBQFDQVSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535129922 468300913 /nfs/dbraw/zinc/30/09/13/468300913.db2.gz LWALSANERYTQKI-RCBQFDQVSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535129922 468300919 /nfs/dbraw/zinc/30/09/19/468300919.db2.gz LWALSANERYTQKI-RCBQFDQVSA-N 2 2 339.842 2.292 10 0 EEAELP C[NH+]1CC[C@H](C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)C1 ZINC000535129922 468300924 /nfs/dbraw/zinc/30/09/24/468300924.db2.gz LWALSANERYTQKI-RCBQFDQVSA-N 2 2 339.842 2.292 10 0 EEAELP CC(C)COC[C@@H](O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479538 465391318 /nfs/dbraw/zinc/39/13/18/465391318.db2.gz CUVBLSONJPXZKF-AEFFLSMTSA-N 2 2 335.492 2.432 10 0 EEAELP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337479538 465391326 /nfs/dbraw/zinc/39/13/26/465391326.db2.gz CUVBLSONJPXZKF-AEFFLSMTSA-N 2 2 335.492 2.432 10 0 EEAELP CN1CCN(C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)C1=O ZINC000075604083 462736890 /nfs/dbraw/zinc/73/68/90/462736890.db2.gz KUKGCEOODYYKKT-UHFFFAOYSA-N 2 2 339.443 2.204 10 0 EEAELP CC[NH+](CC)[C@H](C)CNC(=O)NCCn1c(C)[nH+]c2ccccc21 ZINC000048172966 462869423 /nfs/dbraw/zinc/86/94/23/462869423.db2.gz IPVVULVRNLBDSK-CQSZACIVSA-N 2 2 331.464 2.374 10 0 EEAELP C[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000156270538 463000441 /nfs/dbraw/zinc/00/04/41/463000441.db2.gz WJZDKTQKIDODJC-HNNXBMFYSA-N 2 2 349.442 2.377 10 0 EEAELP C[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299062 463118210 /nfs/dbraw/zinc/11/82/10/463118210.db2.gz LYGBFDRDPOCCQE-ZDUSSCGKSA-N 2 2 333.501 2.410 10 0 EEAELP C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299062 463118213 /nfs/dbraw/zinc/11/82/13/463118213.db2.gz LYGBFDRDPOCCQE-ZDUSSCGKSA-N 2 2 333.501 2.410 10 0 EEAELP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000078965845 463173117 /nfs/dbraw/zinc/17/31/17/463173117.db2.gz KGWQVDKTCZBHSW-SFHVURJKSA-N 2 2 347.422 2.158 10 0 EEAELP O=C(NCc1ccnc(-n2cc[nH+]c2)c1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000078965845 463173122 /nfs/dbraw/zinc/17/31/22/463173122.db2.gz KGWQVDKTCZBHSW-SFHVURJKSA-N 2 2 347.422 2.158 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@@H]2CCOc3ccccc32)CC[N@@H+]1C ZINC000123331563 463333925 /nfs/dbraw/zinc/33/39/25/463333925.db2.gz DNTTXOOCRUISNZ-HLLBOEOZSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@@H]([NH+](C)CC(=O)N[C@@H]2CCOc3ccccc32)CC[N@H+]1C ZINC000123331563 463333928 /nfs/dbraw/zinc/33/39/28/463333928.db2.gz DNTTXOOCRUISNZ-HLLBOEOZSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@@H]([N@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)CC[NH+]1C ZINC000123331563 463333933 /nfs/dbraw/zinc/33/39/33/463333933.db2.gz DNTTXOOCRUISNZ-HLLBOEOZSA-N 2 2 331.460 2.041 10 0 EEAELP C[C@@H]1C[C@@H]([N@@H+](C)CC(=O)N[C@@H]2CCOc3ccccc32)CC[NH+]1C ZINC000123331563 463333936 /nfs/dbraw/zinc/33/39/36/463333936.db2.gz DNTTXOOCRUISNZ-HLLBOEOZSA-N 2 2 331.460 2.041 10 0 EEAELP Cc1nc2[nH]ccc2c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000080770278 463354398 /nfs/dbraw/zinc/35/43/98/463354398.db2.gz BUQOOABCFPUVAS-MRXNPFEDSA-N 2 2 337.427 2.097 10 0 EEAELP Cc1nc2[nH]ccc2c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000080770278 463354401 /nfs/dbraw/zinc/35/44/01/463354401.db2.gz BUQOOABCFPUVAS-MRXNPFEDSA-N 2 2 337.427 2.097 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123659615 463359211 /nfs/dbraw/zinc/35/92/11/463359211.db2.gz WSZPWVBWRIVNEI-KBPBESRZSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123659615 463359219 /nfs/dbraw/zinc/35/92/19/463359219.db2.gz WSZPWVBWRIVNEI-KBPBESRZSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123659615 463359226 /nfs/dbraw/zinc/35/92/26/463359226.db2.gz WSZPWVBWRIVNEI-KBPBESRZSA-N 2 2 337.430 2.448 10 0 EEAELP CC(C)CN(CC(F)(F)F)C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123659615 463359232 /nfs/dbraw/zinc/35/92/32/463359232.db2.gz WSZPWVBWRIVNEI-KBPBESRZSA-N 2 2 337.430 2.448 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123708684 463363318 /nfs/dbraw/zinc/36/33/18/463363318.db2.gz FDFFGXOJBCISLM-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123708684 463363322 /nfs/dbraw/zinc/36/33/22/463363322.db2.gz FDFFGXOJBCISLM-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123708684 463363328 /nfs/dbraw/zinc/36/33/28/463363328.db2.gz FDFFGXOJBCISLM-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP COc1ccccc1CN(C)C(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123708684 463363332 /nfs/dbraw/zinc/36/33/32/463363332.db2.gz FDFFGXOJBCISLM-NVXWUHKLSA-N 2 2 333.476 2.068 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000105875723 463484779 /nfs/dbraw/zinc/48/47/79/463484779.db2.gz ZTSMDOBAHLNUDZ-UHFFFAOYSA-N 2 2 332.492 2.371 10 0 EEAELP CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000106103334 463505168 /nfs/dbraw/zinc/50/51/68/463505168.db2.gz VPGJREGYWKOAMP-AEFFLSMTSA-N 2 2 328.460 2.149 10 0 EEAELP CC[C@H]1CN(Cc2ccc(-n3cc[nH+]c3)cc2)CC[N@H+]1C[C@@H](C)O ZINC000106103334 463505176 /nfs/dbraw/zinc/50/51/76/463505176.db2.gz VPGJREGYWKOAMP-AEFFLSMTSA-N 2 2 328.460 2.149 10 0 EEAELP C[NH+](C)C1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000193816783 463744959 /nfs/dbraw/zinc/74/49/59/463744959.db2.gz MGCACWUMRWHCFD-ICSRJNTNSA-N 2 2 332.488 2.468 10 0 EEAELP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314072 463999866 /nfs/dbraw/zinc/99/98/66/463999866.db2.gz ZJYUAXCPMWWXCA-WZGPROSRSA-N 2 2 329.488 2.356 10 0 EEAELP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314072 463999872 /nfs/dbraw/zinc/99/98/72/463999872.db2.gz ZJYUAXCPMWWXCA-WZGPROSRSA-N 2 2 329.488 2.356 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)CC(F)(F)F)C2)[nH+]1 ZINC000195516314 464063542 /nfs/dbraw/zinc/06/35/42/464063542.db2.gz BUBZLWTWXUUZHJ-CYBMUJFWSA-N 2 2 344.381 2.145 10 0 EEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N(C)CC(F)(F)F)C2)[nH+]1 ZINC000195516314 464063546 /nfs/dbraw/zinc/06/35/46/464063546.db2.gz BUBZLWTWXUUZHJ-CYBMUJFWSA-N 2 2 344.381 2.145 10 0 EEAELP Cc1cc([NH+]2CCCCCC2)ccc1NC[C@@H](O)C[NH+]1CCOCC1 ZINC000568874053 468400177 /nfs/dbraw/zinc/40/01/77/468400177.db2.gz ULYBNFVGNSMWAN-LJQANCHMSA-N 2 2 347.503 2.480 10 0 EEAELP CCn1cc([C@@H](C)[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000180578151 464341678 /nfs/dbraw/zinc/34/16/78/464341678.db2.gz SLTCZKYKFJDXQN-HIFRSBDPSA-N 2 2 329.452 2.054 10 0 EEAELP Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174887332 464464310 /nfs/dbraw/zinc/46/43/10/464464310.db2.gz BBLFKYUDGVMNQP-IBGZPJMESA-N 2 2 344.503 2.035 10 0 EEAELP Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174887332 464464314 /nfs/dbraw/zinc/46/43/14/464464314.db2.gz BBLFKYUDGVMNQP-IBGZPJMESA-N 2 2 344.503 2.035 10 0 EEAELP Cn1c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nnc1C1CCC1 ZINC000181362569 464477190 /nfs/dbraw/zinc/47/71/90/464477190.db2.gz QIFPIGXHKWSULM-CQSZACIVSA-N 2 2 326.448 2.412 10 0 EEAELP Cn1c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)nnc1C1CCC1 ZINC000181362569 464477191 /nfs/dbraw/zinc/47/71/91/464477191.db2.gz QIFPIGXHKWSULM-CQSZACIVSA-N 2 2 326.448 2.412 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000245437323 464481302 /nfs/dbraw/zinc/48/13/02/464481302.db2.gz RLCKAGPGIAUEQS-FUHWJXTLSA-N 2 2 347.503 2.016 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000245437323 464481309 /nfs/dbraw/zinc/48/13/09/464481309.db2.gz RLCKAGPGIAUEQS-FUHWJXTLSA-N 2 2 347.503 2.016 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000245437323 464481314 /nfs/dbraw/zinc/48/13/14/464481314.db2.gz RLCKAGPGIAUEQS-FUHWJXTLSA-N 2 2 347.503 2.016 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCc2ccccc2OC)[C@@H](C)C1 ZINC000245437323 464481317 /nfs/dbraw/zinc/48/13/17/464481317.db2.gz RLCKAGPGIAUEQS-FUHWJXTLSA-N 2 2 347.503 2.016 10 0 EEAELP C[C@H]1C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1c1ccccc1 ZINC000245733023 464510474 /nfs/dbraw/zinc/51/04/74/464510474.db2.gz KCEYQCSTEFTJES-QFBILLFUSA-N 2 2 337.471 2.421 10 0 EEAELP C[C@H]1C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)[C@H]1c1ccccc1 ZINC000245733023 464510478 /nfs/dbraw/zinc/51/04/78/464510478.db2.gz KCEYQCSTEFTJES-QFBILLFUSA-N 2 2 337.471 2.421 10 0 EEAELP O=C(NCc1cn2cc(Cl)ccc2[nH+]1)[C@@H]1CCCc2[nH+]ccn21 ZINC000352153866 465480546 /nfs/dbraw/zinc/48/05/46/465480546.db2.gz KMQFEANFEJHFTO-ZDUSSCGKSA-N 2 2 329.791 2.378 10 0 EEAELP CN(c1cccnn1)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000177127281 464937129 /nfs/dbraw/zinc/93/71/29/464937129.db2.gz OLHBOIMWGXGCTE-UHFFFAOYSA-N 2 2 349.442 2.158 10 0 EEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000177150358 464943566 /nfs/dbraw/zinc/94/35/66/464943566.db2.gz QLZJAIVYKNEMSC-MRXNPFEDSA-N 2 2 336.399 2.077 10 0 EEAELP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000343505444 465521310 /nfs/dbraw/zinc/52/13/10/465521310.db2.gz FCIMFFVAYBTVLN-OHQAAIJDSA-N 2 2 327.472 2.248 10 0 EEAELP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C ZINC000343505444 465521315 /nfs/dbraw/zinc/52/13/15/465521315.db2.gz FCIMFFVAYBTVLN-OHQAAIJDSA-N 2 2 327.472 2.248 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[N@@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000330126791 465542532 /nfs/dbraw/zinc/54/25/32/465542532.db2.gz IUWGYOCYYLGJPG-BQFCYCMXSA-N 2 2 345.491 2.377 10 0 EEAELP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[N@H+]3CCC[C@H]3C2)cc[nH+]1 ZINC000330126791 465542538 /nfs/dbraw/zinc/54/25/38/465542538.db2.gz IUWGYOCYYLGJPG-BQFCYCMXSA-N 2 2 345.491 2.377 10 0 EEAELP COC(=O)C[N@H+](CCCC1CCCCC1)CCN1CC[NH+](C)CC1 ZINC000348376638 465573111 /nfs/dbraw/zinc/57/31/11/465573111.db2.gz XWWMMSDRNKETME-UHFFFAOYSA-N 2 2 339.524 2.069 10 0 EEAELP COC(=O)C[N@@H+](CCCC1CCCCC1)CCN1CC[NH+](C)CC1 ZINC000348376638 465573122 /nfs/dbraw/zinc/57/31/22/465573122.db2.gz XWWMMSDRNKETME-UHFFFAOYSA-N 2 2 339.524 2.069 10 0 EEAELP CCn1cc(CC[N@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000348434785 465603420 /nfs/dbraw/zinc/60/34/20/465603420.db2.gz ADECXEMANQPMNN-PKOBYXMFSA-N 2 2 344.507 2.194 10 0 EEAELP CCn1cc(CC[N@@H+](C)C[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)cn1 ZINC000348434785 465603430 /nfs/dbraw/zinc/60/34/30/465603430.db2.gz ADECXEMANQPMNN-PKOBYXMFSA-N 2 2 344.507 2.194 10 0 EEAELP CCn1cc(CC[NH+](C)C[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000348434785 465603437 /nfs/dbraw/zinc/60/34/37/465603437.db2.gz ADECXEMANQPMNN-PKOBYXMFSA-N 2 2 344.507 2.194 10 0 EEAELP CCn1cc(CC[NH+](C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cn1 ZINC000348434785 465603450 /nfs/dbraw/zinc/60/34/50/465603450.db2.gz ADECXEMANQPMNN-PKOBYXMFSA-N 2 2 344.507 2.194 10 0 EEAELP COC(=O)[C@H]1C[C@H](O)C[N@@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290769 465888494 /nfs/dbraw/zinc/88/84/94/465888494.db2.gz UIBDYSOCOAFCGZ-MAUKXSAKSA-N 2 2 345.443 2.123 10 0 EEAELP COC(=O)[C@H]1C[C@H](O)C[N@H+]1CCCCCn1c(C)[nH+]c2ccccc21 ZINC000361290769 465888499 /nfs/dbraw/zinc/88/84/99/465888499.db2.gz UIBDYSOCOAFCGZ-MAUKXSAKSA-N 2 2 345.443 2.123 10 0 EEAELP CN(C)c1nc(N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)cc[nH+]1 ZINC000361454166 466010275 /nfs/dbraw/zinc/01/02/75/466010275.db2.gz NUNHUVFMAUORKR-QGZVFWFLSA-N 2 2 341.434 2.491 10 0 EEAELP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000361588309 466121866 /nfs/dbraw/zinc/12/18/66/466121866.db2.gz MEEJRAHJXVEUCN-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)[C@@H]1CCOC1 ZINC000361588309 466121872 /nfs/dbraw/zinc/12/18/72/466121872.db2.gz MEEJRAHJXVEUCN-IEBWSBKVSA-N 2 2 345.487 2.003 10 0 EEAELP Cc1cc(C)cc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1 ZINC000353767487 466131112 /nfs/dbraw/zinc/13/11/12/466131112.db2.gz LOCHUUGJVPWHND-UHFFFAOYSA-N 2 2 325.460 2.482 10 0 EEAELP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000367150737 466160415 /nfs/dbraw/zinc/16/04/15/466160415.db2.gz IYPUCWAJHHAATK-QAPCUYQASA-N 2 2 329.444 2.317 10 0 EEAELP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)nc1 ZINC000367150737 466160423 /nfs/dbraw/zinc/16/04/23/466160423.db2.gz IYPUCWAJHHAATK-QAPCUYQASA-N 2 2 329.444 2.317 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nc1 ZINC000367150737 466160432 /nfs/dbraw/zinc/16/04/32/466160432.db2.gz IYPUCWAJHHAATK-QAPCUYQASA-N 2 2 329.444 2.317 10 0 EEAELP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1 ZINC000367150737 466160439 /nfs/dbraw/zinc/16/04/39/466160439.db2.gz IYPUCWAJHHAATK-QAPCUYQASA-N 2 2 329.444 2.317 10 0 EEAELP Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000340587547 466189775 /nfs/dbraw/zinc/18/97/75/466189775.db2.gz KTZIJDYEKCBGDG-CABCVRRESA-N 2 2 346.866 2.757 10 0 EEAELP Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)nc(N(C)C)[nH+]1 ZINC000340587547 466189781 /nfs/dbraw/zinc/18/97/81/466189781.db2.gz KTZIJDYEKCBGDG-CABCVRRESA-N 2 2 346.866 2.757 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357828392 466244525 /nfs/dbraw/zinc/24/45/25/466244525.db2.gz JJHDZVJEDARHJV-CABCVRRESA-N 2 2 333.480 2.221 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000357828392 466244532 /nfs/dbraw/zinc/24/45/32/466244532.db2.gz JJHDZVJEDARHJV-CABCVRRESA-N 2 2 333.480 2.221 10 0 EEAELP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357828392 466244538 /nfs/dbraw/zinc/24/45/38/466244538.db2.gz JJHDZVJEDARHJV-CABCVRRESA-N 2 2 333.480 2.221 10 0 EEAELP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000357828392 466244542 /nfs/dbraw/zinc/24/45/42/466244542.db2.gz JJHDZVJEDARHJV-CABCVRRESA-N 2 2 333.480 2.221 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000310280849 466509869 /nfs/dbraw/zinc/50/98/69/466509869.db2.gz WJUGWMFBGUAXAD-INDMIFKZSA-N 2 2 348.512 2.064 10 0 EEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000310280849 466509874 /nfs/dbraw/zinc/50/98/74/466509874.db2.gz WJUGWMFBGUAXAD-INDMIFKZSA-N 2 2 348.512 2.064 10 0 EEAELP c1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000372627177 466515529 /nfs/dbraw/zinc/51/55/29/466515529.db2.gz MVFQZDBOMAYMPV-FGYAAKKASA-N 2 2 328.456 2.413 10 0 EEAELP c1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1C[NH+]1C[C@H]2CC[C@@H](C1)O2 ZINC000372627177 466515535 /nfs/dbraw/zinc/51/55/35/466515535.db2.gz MVFQZDBOMAYMPV-FGYAAKKASA-N 2 2 328.456 2.413 10 0 EEAELP C[NH+](C)CC1(CNC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)CCCC1 ZINC000354451125 466577864 /nfs/dbraw/zinc/57/78/64/466577864.db2.gz KZAOUSYSBDFRQW-UHFFFAOYSA-N 2 2 333.480 2.421 10 0 EEAELP Cc1c[nH+]ccc1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000415390008 466662659 /nfs/dbraw/zinc/66/26/59/466662659.db2.gz UJDWFILKOIKDBA-CVEARBPZSA-N 2 2 328.391 2.300 10 0 EEAELP Brc1ccc(CC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)s1 ZINC000422721883 466681228 /nfs/dbraw/zinc/68/12/28/466681228.db2.gz WHGPIRZCAPHIOQ-JSGCOSHPSA-N 2 2 345.306 2.410 10 0 EEAELP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)CCCO2 ZINC000423532523 466768024 /nfs/dbraw/zinc/76/80/24/466768024.db2.gz ZVJAFDWYRQPBDL-JSGCOSHPSA-N 2 2 341.249 2.241 10 0 EEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCc2[nH+]ccn2C)cc1 ZINC000370345299 466842847 /nfs/dbraw/zinc/84/28/47/466842847.db2.gz KDRPRZBCKHTGON-CYBMUJFWSA-N 2 2 338.415 2.475 10 0 EEAELP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000423912756 466905800 /nfs/dbraw/zinc/90/58/00/466905800.db2.gz JBGHYQVJBLQCJW-GUYCJALGSA-N 2 2 335.879 2.202 10 0 EEAELP C[C@H]1CC[NH2+][C@H](C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000423912756 466905805 /nfs/dbraw/zinc/90/58/05/466905805.db2.gz JBGHYQVJBLQCJW-GUYCJALGSA-N 2 2 335.879 2.202 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000377657584 467108072 /nfs/dbraw/zinc/10/80/72/467108072.db2.gz HTHSNRMHVVSIGB-GOSISDBHSA-N 2 2 332.423 2.206 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCc2cn3ccccc3[nH+]2)C1 ZINC000377657584 467108074 /nfs/dbraw/zinc/10/80/74/467108074.db2.gz HTHSNRMHVVSIGB-GOSISDBHSA-N 2 2 332.423 2.206 10 0 EEAELP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000418654358 467141823 /nfs/dbraw/zinc/14/18/23/467141823.db2.gz PQDUATVVTLTJQR-QGZVFWFLSA-N 2 2 329.448 2.177 10 0 EEAELP C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1)[C@H](C)[NH3+] ZINC000418696196 467147325 /nfs/dbraw/zinc/14/73/25/467147325.db2.gz KMAPEWGCDNODOL-MJBXVCDLSA-N 2 2 338.883 2.464 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@H+](C)C3CCCCC3)nc[nH+]2)C1 ZINC000413084273 467167179 /nfs/dbraw/zinc/16/71/79/467167179.db2.gz MYWFFUYSYWRGCL-JKSUJKDBSA-N 2 2 347.507 2.360 10 0 EEAELP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@@H+](C)C3CCCCC3)nc[nH+]2)C1 ZINC000413084273 467167182 /nfs/dbraw/zinc/16/71/82/467167182.db2.gz MYWFFUYSYWRGCL-JKSUJKDBSA-N 2 2 347.507 2.360 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428541747 467244782 /nfs/dbraw/zinc/24/47/82/467244782.db2.gz CMHVLHNDYSWBAF-INWMFGNUSA-N 2 2 341.293 2.140 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428541747 467244784 /nfs/dbraw/zinc/24/47/84/467244784.db2.gz CMHVLHNDYSWBAF-INWMFGNUSA-N 2 2 341.293 2.140 10 0 EEAELP O=C(NCCC[NH2+]C1CCCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000419914651 467267216 /nfs/dbraw/zinc/26/72/16/467267216.db2.gz BMOQGUWMDJDPDK-UHFFFAOYSA-N 2 2 327.432 2.310 10 0 EEAELP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000380785689 467373579 /nfs/dbraw/zinc/37/35/79/467373579.db2.gz HARHTIRRDQBVGU-STQMWFEESA-N 2 2 345.281 2.039 10 0 EEAELP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1Br ZINC000380785689 467373582 /nfs/dbraw/zinc/37/35/82/467373582.db2.gz HARHTIRRDQBVGU-STQMWFEESA-N 2 2 345.281 2.039 10 0 EEAELP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)C(=O)N1CCSc2ccccc21 ZINC000420359997 467377779 /nfs/dbraw/zinc/37/77/79/467377779.db2.gz GOPWYIALICMXLT-VWPFQQQWSA-N 2 2 333.501 2.490 10 0 EEAELP COc1nccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000395114332 467435504 /nfs/dbraw/zinc/43/55/04/467435504.db2.gz CERBPPBYJJCEDN-QXAKKESOSA-N 2 2 338.455 2.485 10 0 EEAELP COc1nccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000395114332 467435509 /nfs/dbraw/zinc/43/55/09/467435509.db2.gz CERBPPBYJJCEDN-QXAKKESOSA-N 2 2 338.455 2.485 10 0 EEAELP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000453105608 467460163 /nfs/dbraw/zinc/46/01/63/467460163.db2.gz XGNLBJQTEHXXQQ-TVQRCGJNSA-N 2 2 331.229 2.088 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449119349 467619240 /nfs/dbraw/zinc/61/92/40/467619240.db2.gz YHZBFQQVWMRDLQ-QGZVFWFLSA-N 2 2 334.460 2.438 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449119349 467619241 /nfs/dbraw/zinc/61/92/41/467619241.db2.gz YHZBFQQVWMRDLQ-QGZVFWFLSA-N 2 2 334.460 2.438 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)cc1NC(C)=O ZINC000449391365 467636369 /nfs/dbraw/zinc/63/63/69/467636369.db2.gz ICBFCULRFXLFRZ-YOEHRIQHSA-N 2 2 349.475 2.151 10 0 EEAELP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2CCO)cc1NC(C)=O ZINC000449391365 467636370 /nfs/dbraw/zinc/63/63/70/467636370.db2.gz ICBFCULRFXLFRZ-YOEHRIQHSA-N 2 2 349.475 2.151 10 0 EEAELP CNc1nc(N2CCC(C[NH+]3CCCC3)CC2)[nH+]c2ccccc21 ZINC000450252265 467809794 /nfs/dbraw/zinc/80/97/94/467809794.db2.gz HHKSXYRJBMXNGX-UHFFFAOYSA-N 2 2 325.460 2.984 10 0 EEAELP CC(C)c1nnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000450616672 467879717 /nfs/dbraw/zinc/87/97/17/467879717.db2.gz BPRMSNWFZJMIEP-XYPWUTKMSA-N 2 2 349.548 2.404 10 0 EEAELP CC(C)c1nnc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000450616672 467879721 /nfs/dbraw/zinc/87/97/21/467879721.db2.gz BPRMSNWFZJMIEP-XYPWUTKMSA-N 2 2 349.548 2.404 10 0 EEAELP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000530023725 467938936 /nfs/dbraw/zinc/93/89/36/467938936.db2.gz RHSNEFXNESOBLJ-INIZCTEOSA-N 2 2 325.416 2.014 10 0 EEAELP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc(-n2cc[nH+]c2)ccn1 ZINC000530023725 467938938 /nfs/dbraw/zinc/93/89/38/467938938.db2.gz RHSNEFXNESOBLJ-INIZCTEOSA-N 2 2 325.416 2.014 10 0 EEAELP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)[C@@H](c1ccccc1)N1CCOCC1 ZINC000530217337 467963963 /nfs/dbraw/zinc/96/39/63/467963963.db2.gz GBAIHBDLWMYQQD-UHOSZYNNSA-N 2 2 329.488 2.323 10 0 EEAELP Cc1cccc2c1cc[nH+]c2N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000518174861 468107699 /nfs/dbraw/zinc/10/76/99/468107699.db2.gz ABDCHOOBENBOPF-SFHVURJKSA-N 2 2 338.455 2.286 10 0 EEAELP Cc1cccc2c1cc[nH+]c2N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000518174861 468107702 /nfs/dbraw/zinc/10/77/02/468107702.db2.gz ABDCHOOBENBOPF-SFHVURJKSA-N 2 2 338.455 2.286 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519776798 468208288 /nfs/dbraw/zinc/20/82/88/468208288.db2.gz PPXSDNCGSCZXTJ-PXNSSMCTSA-N 2 2 329.488 2.118 10 0 EEAELP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000519776798 468208293 /nfs/dbraw/zinc/20/82/93/468208293.db2.gz PPXSDNCGSCZXTJ-PXNSSMCTSA-N 2 2 329.488 2.118 10 0 EEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000519824813 468218464 /nfs/dbraw/zinc/21/84/64/468218464.db2.gz OUXUOLRXJMDUSV-LJQANCHMSA-N 2 2 348.512 2.227 10 0 EEAELP c1cc(C[NH+]2CCOCC2)cc(C[N@H+]2CCO[C@]3(CCSC3)C2)c1 ZINC000519824813 468218470 /nfs/dbraw/zinc/21/84/70/468218470.db2.gz OUXUOLRXJMDUSV-LJQANCHMSA-N 2 2 348.512 2.227 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000570298444 468619708 /nfs/dbraw/zinc/61/97/08/468619708.db2.gz DSUXXBQBRYEIBO-HEHGZKQESA-N 2 2 328.416 2.106 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(-c2c[nH]c[nH+]2)cc1)[N@@H+]1C[C@H](O)C[C@H](C)C1 ZINC000570298444 468619712 /nfs/dbraw/zinc/61/97/12/468619712.db2.gz DSUXXBQBRYEIBO-HEHGZKQESA-N 2 2 328.416 2.106 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000594931051 468725206 /nfs/dbraw/zinc/72/52/06/468725206.db2.gz KTGGFSWKDWMZAP-KBRIMQKVSA-N 2 2 346.475 2.222 10 0 EEAELP C/C=C/c1ccc(OC[C@@H](O)C[NH2+]CCc2cn(C)c[nH+]2)c(OC)c1 ZINC000584524762 468891308 /nfs/dbraw/zinc/89/13/08/468891308.db2.gz HZXILEYJCNOVEQ-BDUNBXCCSA-N 2 2 345.443 2.034 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000614902328 469088457 /nfs/dbraw/zinc/08/84/57/469088457.db2.gz MAXRZWWVANOADE-HYVNUMGLSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000614902328 469088459 /nfs/dbraw/zinc/08/84/59/469088459.db2.gz MAXRZWWVANOADE-HYVNUMGLSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@@H+]1Cc1ccccc1 ZINC000614902328 469088461 /nfs/dbraw/zinc/08/84/61/469088461.db2.gz MAXRZWWVANOADE-HYVNUMGLSA-N 2 2 338.455 2.294 10 0 EEAELP C[C@@H]1[C@H](NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)CC[N@H+]1Cc1ccccc1 ZINC000614902328 469088464 /nfs/dbraw/zinc/08/84/64/469088464.db2.gz MAXRZWWVANOADE-HYVNUMGLSA-N 2 2 338.455 2.294 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@@H+](C[C@H]([NH3+])CC(C)C)C2)s1 ZINC000596106352 469157228 /nfs/dbraw/zinc/15/72/28/469157228.db2.gz OYBITSYQTARROC-CHWSQXEVSA-N 2 2 325.478 2.483 10 0 EEAELP COC(=O)c1cnc([C@@H]2CCC[N@H+](C[C@H]([NH3+])CC(C)C)C2)s1 ZINC000596106352 469157224 /nfs/dbraw/zinc/15/72/24/469157224.db2.gz OYBITSYQTARROC-CHWSQXEVSA-N 2 2 325.478 2.483 10 0 EEAELP CCOC(=O)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340695 469218284 /nfs/dbraw/zinc/21/82/84/469218284.db2.gz YBKPJFBPBUNNEB-JKSUJKDBSA-N 2 2 345.443 2.123 10 0 EEAELP CCOC(=O)C[C@@H](O)C[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000599340695 469218290 /nfs/dbraw/zinc/21/82/90/469218290.db2.gz YBKPJFBPBUNNEB-JKSUJKDBSA-N 2 2 345.443 2.123 10 0 EEAELP Cn1cc([C@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000573844364 469219112 /nfs/dbraw/zinc/21/91/12/469219112.db2.gz QEQJXJMWANZVCC-OALUTQOASA-N 2 2 340.471 2.240 10 0 EEAELP Cn1cc([C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000573844364 469219113 /nfs/dbraw/zinc/21/91/13/469219113.db2.gz QEQJXJMWANZVCC-OALUTQOASA-N 2 2 340.471 2.240 10 0 EEAELP CCOC(=O)CCCCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000599622591 469312765 /nfs/dbraw/zinc/31/27/65/469312765.db2.gz LRBBKSFPWHTTCM-UHFFFAOYSA-N 2 2 326.481 2.297 10 0 EEAELP O=C(N[C@H]1CCc2[nH+]c[nH]c2C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000612695086 469528889 /nfs/dbraw/zinc/52/88/89/469528889.db2.gz HNUAQFXELPYHOC-IRXDYDNUSA-N 2 2 338.455 2.263 10 0 EEAELP O=C(N[C@H]1CCc2[nH]c[nH+]c2C1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000612695086 469528893 /nfs/dbraw/zinc/52/88/93/469528893.db2.gz HNUAQFXELPYHOC-IRXDYDNUSA-N 2 2 338.455 2.263 10 0 EEAELP C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)C[NH2+]1 ZINC000629393917 469529931 /nfs/dbraw/zinc/52/99/31/469529931.db2.gz DWGBFKLKIOOQON-MWLCHTKSSA-N 2 2 327.222 2.408 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000616998397 469564949 /nfs/dbraw/zinc/56/49/49/469564949.db2.gz NFSNQHIKBPWQSX-CQSZACIVSA-N 2 2 327.432 2.118 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000616998397 469564954 /nfs/dbraw/zinc/56/49/54/469564954.db2.gz NFSNQHIKBPWQSX-CQSZACIVSA-N 2 2 327.432 2.118 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000629524460 469573242 /nfs/dbraw/zinc/57/32/42/469573242.db2.gz MKOYODOBZUVXRE-SLFFLAALSA-N 3 2 343.515 2.385 10 0 EEAELP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000629524460 469573245 /nfs/dbraw/zinc/57/32/45/469573245.db2.gz MKOYODOBZUVXRE-SLFFLAALSA-N 3 2 343.515 2.385 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000629603706 469590968 /nfs/dbraw/zinc/59/09/68/469590968.db2.gz NGVRNYSFDBIYMM-MSOLQXFVSA-N 2 2 348.487 2.432 10 0 EEAELP CCOc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000629603706 469590971 /nfs/dbraw/zinc/59/09/71/469590971.db2.gz NGVRNYSFDBIYMM-MSOLQXFVSA-N 2 2 348.487 2.432 10 0 EEAELP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000623264870 469601748 /nfs/dbraw/zinc/60/17/48/469601748.db2.gz WACUMELDIMXPKS-FUHWJXTLSA-N 2 2 342.418 2.118 10 0 EEAELP O=C(N[C@H]1Cc2c[nH+]cn2C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000623264870 469601751 /nfs/dbraw/zinc/60/17/51/469601751.db2.gz WACUMELDIMXPKS-FUHWJXTLSA-N 2 2 342.418 2.118 10 0 EEAELP COc1ccc(Cn2nc(C)c(C[NH2+][C@@H]3CC[NH2+][C@H]3C)c2C)cc1 ZINC000629671702 469603362 /nfs/dbraw/zinc/60/33/62/469603362.db2.gz DRSRQUBMAYXNNH-IFXJQAMLSA-N 2 2 328.460 2.397 10 0 EEAELP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000629673156 469603658 /nfs/dbraw/zinc/60/36/58/469603658.db2.gz XSQHFPTVJHOGHL-XJKSGUPXSA-N 2 2 342.443 2.088 10 0 EEAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000606582160 469620422 /nfs/dbraw/zinc/62/04/22/469620422.db2.gz FDCORRRESLVJIQ-OKILXGFUSA-N 2 2 345.447 2.344 10 0 EEAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)Nc2ccc3[nH+]ccn3c2)C[C@H](C)O1 ZINC000606582160 469620426 /nfs/dbraw/zinc/62/04/26/469620426.db2.gz FDCORRRESLVJIQ-OKILXGFUSA-N 2 2 345.447 2.344 10 0 EEAELP O=C(NCCCCn1cc[nH+]c1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000623486699 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CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647899783 471011413 /nfs/dbraw/zinc/01/14/13/471011413.db2.gz WGTOKCJUOXVYBB-MAUKXSAKSA-N 2 2 344.459 2.048 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCC1(c2ccccc2)CC1 ZINC000647901232 471012557 /nfs/dbraw/zinc/01/25/57/471012557.db2.gz LJALYLUVOQBJLF-IEBWSBKVSA-N 2 2 341.499 2.298 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCC1(c2ccccc2)CC1 ZINC000647901232 471012558 /nfs/dbraw/zinc/01/25/58/471012558.db2.gz LJALYLUVOQBJLF-IEBWSBKVSA-N 2 2 341.499 2.298 10 0 EEAELP COc1cc2c(cc1C[N@@H+]1CCOC3(CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000648071598 471074945 /nfs/dbraw/zinc/07/49/45/471074945.db2.gz KCIRCDRDBIRGSJ-HNNXBMFYSA-N 2 2 346.471 2.315 10 0 EEAELP COc1cc2c(cc1C[N@H+]1CCOC3(CC[NH+](C)CC3)C1)O[C@@H](C)C2 ZINC000648071598 471074954 /nfs/dbraw/zinc/07/49/54/471074954.db2.gz KCIRCDRDBIRGSJ-HNNXBMFYSA-N 2 2 346.471 2.315 10 0 EEAELP CC(C)[C@H]1CN(C(=O)c2c[nH+]ccc2N)CC[N@H+]1Cc1ccccc1 ZINC000638514685 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471456991 /nfs/dbraw/zinc/45/69/91/471456991.db2.gz ZNYBWYGQMXCGBO-HNNXBMFYSA-N 2 2 329.448 2.315 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)NC[C@@H]3CC[N@H+]3C(C)(C)C)cn21 ZINC000660711036 471456996 /nfs/dbraw/zinc/45/69/96/471456996.db2.gz ZNYBWYGQMXCGBO-HNNXBMFYSA-N 2 2 329.448 2.315 10 0 EEAELP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655803555 471489259 /nfs/dbraw/zinc/48/92/59/471489259.db2.gz SSCIFKDVXVXKTR-OKZBNKHCSA-N 2 2 346.519 2.133 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000666864810 471567103 /nfs/dbraw/zinc/56/71/03/471567103.db2.gz TYQCZFGMAYXQCI-UHFFFAOYSA-N 2 2 348.491 2.405 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1cccc2c1OC(C)(C)C2 ZINC000666864810 471567111 /nfs/dbraw/zinc/56/71/11/471567111.db2.gz TYQCZFGMAYXQCI-UHFFFAOYSA-N 2 2 348.491 2.405 10 0 EEAELP Cc1cn2c([nH+]1)CN(C(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1)CC2 ZINC000656106369 471590020 /nfs/dbraw/zinc/59/00/20/471590020.db2.gz KQOLBDFHYRCJOL-INIZCTEOSA-N 2 2 333.480 2.227 10 0 EEAELP CC(C)[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000667012366 471622502 /nfs/dbraw/zinc/62/25/02/471622502.db2.gz CFVQKQLYOJSASU-QZTJIDSGSA-N 2 2 336.524 2.231 10 0 EEAELP CC(C)[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)C1CC1 ZINC000667012366 471622506 /nfs/dbraw/zinc/62/25/06/471622506.db2.gz CFVQKQLYOJSASU-QZTJIDSGSA-N 2 2 336.524 2.231 10 0 EEAELP CC1CCC([NH+]2CCN(C(=O)Nc3cc[nH+]cc3N(C)C)CC2)CC1 ZINC000670082557 471674277 /nfs/dbraw/zinc/67/42/77/471674277.db2.gz YHERFESJSVGMNR-UHFFFAOYSA-N 2 2 345.491 2.298 10 0 EEAELP [NH3+]C1(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CCCC1 ZINC000659575262 471683205 /nfs/dbraw/zinc/68/32/05/471683205.db2.gz XCCWOFHMANJBQF-HNNXBMFYSA-N 2 2 345.491 2.380 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1)c1[nH+]ccn1C ZINC000667246956 471708559 /nfs/dbraw/zinc/70/85/59/471708559.db2.gz VNFLWHWMRUKKEB-NVXWUHKLSA-N 2 2 341.459 2.049 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1)c1[nH+]ccn1C ZINC000667246956 471708561 /nfs/dbraw/zinc/70/85/61/471708561.db2.gz VNFLWHWMRUKKEB-NVXWUHKLSA-N 2 2 341.459 2.049 10 0 EEAELP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]CCc2cccc(Cl)c2)C1=O ZINC000656536956 471751289 /nfs/dbraw/zinc/75/12/89/471751289.db2.gz IXTKTHFAMYORTE-INIZCTEOSA-N 2 2 346.862 2.397 10 0 EEAELP CC[C@@H](C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000661585747 471810398 /nfs/dbraw/zinc/81/03/98/471810398.db2.gz ZQDQOJXFELXUHK-HRBLRVMOSA-N 2 2 336.524 2.375 10 0 EEAELP CC[C@@H](C)CCNC(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000661585747 471810408 /nfs/dbraw/zinc/81/04/08/471810408.db2.gz ZQDQOJXFELXUHK-HRBLRVMOSA-N 2 2 336.524 2.375 10 0 EEAELP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000656702373 471812522 /nfs/dbraw/zinc/81/25/22/471812522.db2.gz PLTGVOFNXLZAPE-DLBZAZTESA-N 2 2 334.460 2.091 10 0 EEAELP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000656702373 471812527 /nfs/dbraw/zinc/81/25/27/471812527.db2.gz PLTGVOFNXLZAPE-DLBZAZTESA-N 2 2 334.460 2.091 10 0 EEAELP Cc1cccn2c(NC(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c[nH+]c12 ZINC000667947925 471957842 /nfs/dbraw/zinc/95/78/42/471957842.db2.gz HEYUGWITUUIHDW-GASCZTMLSA-N 2 2 345.447 2.264 10 0 EEAELP Cc1cccn2c(NC(=O)NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)c[nH+]c12 ZINC000667947925 471957848 /nfs/dbraw/zinc/95/78/48/471957848.db2.gz HEYUGWITUUIHDW-GASCZTMLSA-N 2 2 345.447 2.264 10 0 EEAELP Cc1cccn2c(NC(=O)N3CCO[C@H](CCC[NH+](C)C)C3)c[nH+]c12 ZINC000667960779 471964039 /nfs/dbraw/zinc/96/40/39/471964039.db2.gz WRYGKFGYLNYCKO-OAHLLOKOSA-N 2 2 345.447 2.217 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNS(=O)(=O)c1cccc2ccccc21 ZINC000657091769 471966080 /nfs/dbraw/zinc/96/60/80/471966080.db2.gz PJNCVXPHGOWHFC-UHFFFAOYSA-N 2 2 349.500 2.002 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNS(=O)(=O)c1cccc2ccccc21 ZINC000657091769 471966082 /nfs/dbraw/zinc/96/60/82/471966082.db2.gz PJNCVXPHGOWHFC-UHFFFAOYSA-N 2 2 349.500 2.002 10 0 EEAELP C[NH+]1CCC(CNC(=O)NC2(C)CC=CC2)([NH+]2CCCCC2)CC1 ZINC000654463585 471969171 /nfs/dbraw/zinc/96/91/71/471969171.db2.gz QBCOITFZGUKVFH-UHFFFAOYSA-N 2 2 334.508 2.345 10 0 EEAELP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)Cc2cnccn2)cc1 ZINC000665254892 471981848 /nfs/dbraw/zinc/98/18/48/471981848.db2.gz BOSNORNQOVZNOU-CCKFTAQKSA-N 2 2 326.444 2.152 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1[nH+]ccn1C ZINC000662093759 471983282 /nfs/dbraw/zinc/98/32/82/471983282.db2.gz XKIBYTXUHLHNGO-HZPDHXFCSA-N 2 2 341.459 2.397 10 0 EEAELP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1[nH+]ccn1C ZINC000662093759 471983285 /nfs/dbraw/zinc/98/32/85/471983285.db2.gz XKIBYTXUHLHNGO-HZPDHXFCSA-N 2 2 341.459 2.397 10 0 EEAELP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000668591736 472187511 /nfs/dbraw/zinc/18/75/11/472187511.db2.gz BBFWUUQSSQLKNS-AWEZNQCLSA-N 2 2 342.443 2.484 10 0 EEAELP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000668591736 472187516 /nfs/dbraw/zinc/18/75/16/472187516.db2.gz BBFWUUQSSQLKNS-AWEZNQCLSA-N 2 2 342.443 2.484 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccco1 ZINC000673810460 485541735 /nfs/dbraw/zinc/54/17/35/485541735.db2.gz PQOZEUZXTHLWNN-HNNXBMFYSA-N 2 2 340.387 2.285 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282785380 485546895 /nfs/dbraw/zinc/54/68/95/485546895.db2.gz MSAURRAOOJRIAU-CQSZACIVSA-N 2 2 327.432 2.281 10 0 EEAELP Cc1nc([C@@H](C)[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c(C)s1 ZINC000679993439 485865497 /nfs/dbraw/zinc/86/54/97/485865497.db2.gz GSZILQSOWJIXOH-RISCZKNCSA-N 2 2 347.488 2.335 10 0 EEAELP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)C1 ZINC000680331067 485942603 /nfs/dbraw/zinc/94/26/03/485942603.db2.gz SPUMCYJXNWKRNQ-MRXNPFEDSA-N 3 2 345.516 2.146 10 0 EEAELP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)C1 ZINC000680331067 485942610 /nfs/dbraw/zinc/94/26/10/485942610.db2.gz SPUMCYJXNWKRNQ-MRXNPFEDSA-N 3 2 345.516 2.146 10 0 EEAELP COc1ccc(COCC[NH+]2CCN(c3cc[nH+]c(C)n3)CC2)cc1 ZINC000680583454 486011854 /nfs/dbraw/zinc/01/18/54/486011854.db2.gz XFNALRSRRCSKHC-UHFFFAOYSA-N 2 2 342.443 2.132 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)C1 ZINC000676540971 486254752 /nfs/dbraw/zinc/25/47/52/486254752.db2.gz NVDSULQOJNQHCL-APWZRJJASA-N 2 2 344.503 2.374 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2Cc3ccccc3C2)[C@H](C)C1 ZINC000676540971 486254757 /nfs/dbraw/zinc/25/47/57/486254757.db2.gz NVDSULQOJNQHCL-APWZRJJASA-N 2 2 344.503 2.374 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCC2CS(=O)(=O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000682497919 486485498 /nfs/dbraw/zinc/48/54/98/486485498.db2.gz KHNOMRUWSDBEQD-MAUKXSAKSA-N 2 2 336.501 2.064 10 0 EEAELP C[C@H]1C[C@H]([NH2+]CCC2CS(=O)(=O)C2)CC[N@H+]1Cc1ccccc1 ZINC000682497919 486485506 /nfs/dbraw/zinc/48/55/06/486485506.db2.gz KHNOMRUWSDBEQD-MAUKXSAKSA-N 2 2 336.501 2.064 10 0 EEAELP COCCN(C)c1ccc(CNc2cnn(-c3cc[nH+]cc3)c2)c[nH+]1 ZINC000682940693 486590281 /nfs/dbraw/zinc/59/02/81/486590281.db2.gz BETJBAJMGFQRHN-UHFFFAOYSA-N 2 2 338.415 2.357 10 0 EEAELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2OC)[C@H](C)C1 ZINC000174781590 527753359 /nfs/dbraw/zinc/75/33/59/527753359.db2.gz LVOVPFCWYSBFLZ-SJLPKXTDSA-N 2 2 347.503 2.316 10 0 EEAELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2OC)[C@H](C)C1 ZINC000174781590 527753363 /nfs/dbraw/zinc/75/33/63/527753363.db2.gz LVOVPFCWYSBFLZ-SJLPKXTDSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2OC)[C@H](C)C1 ZINC000174781590 527753368 /nfs/dbraw/zinc/75/33/68/527753368.db2.gz LVOVPFCWYSBFLZ-SJLPKXTDSA-N 2 2 347.503 2.316 10 0 EEAELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2OC)[C@H](C)C1 ZINC000174781590 527753373 /nfs/dbraw/zinc/75/33/73/527753373.db2.gz LVOVPFCWYSBFLZ-SJLPKXTDSA-N 2 2 347.503 2.316 10 0 EEAELP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(OCCOC)C2)CC1 ZINC000459459359 534935476 /nfs/dbraw/zinc/93/54/76/534935476.db2.gz IEQDYTMBABUZGK-UHFFFAOYSA-N 2 2 347.503 2.066 10 0 EEAELP COC(=O)[C@H]1[C@H](C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)C1(F)F ZINC000894777501 683086859 /nfs/dbraw/zinc/08/68/59/683086859.db2.gz QZIRLESCOVTLGB-LSDHHAIUSA-N 2 2 341.402 2.430 10 0 EEAELP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCCC2)C1(F)F ZINC000895458800 684607503 /nfs/dbraw/zinc/60/75/03/684607503.db2.gz SCVNBTJIHMXICU-ZNMIVQPWSA-N 2 2 330.419 2.427 10 0 EEAELP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCCC2)C1(F)F ZINC000895458800 684607505 /nfs/dbraw/zinc/60/75/05/684607505.db2.gz SCVNBTJIHMXICU-ZNMIVQPWSA-N 2 2 330.419 2.427 10 0 EEAELP O[C@@H](C[NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1Br ZINC000925685224 684887338 /nfs/dbraw/zinc/88/73/38/684887338.db2.gz KYGARWWLPZEENO-UONOGXRCSA-N 2 2 325.250 2.357 10 0 EEAELP COc1cccc([C@H]2[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000897334285 687135585 /nfs/dbraw/zinc/13/55/85/687135585.db2.gz AMXMIMLTGHYNFA-QYZOEREBSA-N 2 2 343.471 2.183 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC000898901839 693515086 /nfs/dbraw/zinc/51/50/86/693515086.db2.gz NNNGOVHVGPIHGE-QGZVFWFLSA-N 2 2 341.459 2.042 10 0 EEAELP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)n1cc[nH+]c1 ZINC000898901839 693515091 /nfs/dbraw/zinc/51/50/91/693515091.db2.gz NNNGOVHVGPIHGE-QGZVFWFLSA-N 2 2 341.459 2.042 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@H+](C)CCC1=CCCCC1 ZINC001266326923 1176302882 /nfs/dbraw/zinc/30/28/82/1176302882.db2.gz QMELVDOCOIAXOS-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+](C)CCC1=CCCCC1 ZINC001266326923 1176302894 /nfs/dbraw/zinc/30/28/94/1176302894.db2.gz QMELVDOCOIAXOS-IAGOWNOFSA-N 2 2 330.476 2.462 10 0 EEAELP CC(C)CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001266414556 1176505065 /nfs/dbraw/zinc/50/50/65/1176505065.db2.gz DYCJJVDZEJGCKL-SJORKVTESA-N 2 2 332.492 2.366 10 0 EEAELP COCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001266469165 1176596302 /nfs/dbraw/zinc/59/63/02/1176596302.db2.gz GEXONXORTSISHY-SJORKVTESA-N 2 2 336.480 2.041 10 0 EEAELP COCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001266469165 1176596309 /nfs/dbraw/zinc/59/63/09/1176596309.db2.gz GEXONXORTSISHY-SJORKVTESA-N 2 2 336.480 2.041 10 0 EEAELP CC[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001670575626 1176920843 /nfs/dbraw/zinc/92/08/43/1176920843.db2.gz NEERESACSSEQFO-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP CC[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CC[C@H]1[NH2+]CCOC1CCC1 ZINC001670575626 1176920845 /nfs/dbraw/zinc/92/08/45/1176920845.db2.gz NEERESACSSEQFO-CRAIPNDOSA-N 2 2 348.491 2.128 10 0 EEAELP CN(C[C@H]1CC[N@@H+]1CC[C@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001691062848 1177493365 /nfs/dbraw/zinc/49/33/65/1177493365.db2.gz WHHBKLSKMZMKBH-WCQYABFASA-N 2 2 345.274 2.069 10 0 EEAELP CN(C[C@H]1CC[N@H+]1CC[C@H]1CC1(Cl)Cl)C(=O)Cc1c[nH+]c[nH]1 ZINC001691062848 1177493370 /nfs/dbraw/zinc/49/33/70/1177493370.db2.gz WHHBKLSKMZMKBH-WCQYABFASA-N 2 2 345.274 2.069 10 0 EEAELP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CCCC[C@@H]1C[NH2+]C/C=C/Cl ZINC001266871926 1177667899 /nfs/dbraw/zinc/66/78/99/1177667899.db2.gz HLPUIPHRAYPLDB-VNGFFZMTSA-N 2 2 336.867 2.169 10 0 EEAELP C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)[C@H]1CC[NH2+]CCC1CC1 ZINC001691310157 1177882972 /nfs/dbraw/zinc/88/29/72/1177882972.db2.gz YPHXHKFZWZROSB-QAPCUYQASA-N 2 2 332.492 2.370 10 0 EEAELP Cc1ccc(F)cc1C[NH2+]CCN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001267395841 1178966055 /nfs/dbraw/zinc/96/60/55/1178966055.db2.gz NIHIVDAQMSZEFG-HNNXBMFYSA-N 2 2 344.434 2.141 10 0 EEAELP Cc1nc(C[NH2+]CCN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)oc1C ZINC001267474349 1179108631 /nfs/dbraw/zinc/10/86/31/1179108631.db2.gz QIWVYFZGHKZEIL-SFHVURJKSA-N 2 2 344.459 2.142 10 0 EEAELP CC[C@H](CNC(=O)c1cccc2[nH+]ccn21)[NH2+]CCC[C@@H]1CCOC1 ZINC001267811539 1180565935 /nfs/dbraw/zinc/56/59/35/1180565935.db2.gz KZXFQZVXZRAXIC-HZPDHXFCSA-N 2 2 344.459 2.249 10 0 EEAELP C[C@@H]1CCCC[C@]1(C[NH2+]CCOC1CCC1)NC(=O)Cn1cc[nH+]c1 ZINC001267871391 1180660135 /nfs/dbraw/zinc/66/01/35/1180660135.db2.gz FPDGQXWYOZANPA-VQIMIIECSA-N 2 2 348.491 2.107 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@H]1CC[C@H]([NH2+]CCCC2CCOCC2)CC1 ZINC001267932613 1180783393 /nfs/dbraw/zinc/78/33/93/1180783393.db2.gz WMVGXXFRBCGYLC-IYARVYRRSA-N 2 2 348.491 2.107 10 0 EEAELP C[C@H](CC(=O)N(C)CC[NH2+]Cc1cccc(N(C)C)c1)n1cc[nH+]c1 ZINC001691495236 1181561104 /nfs/dbraw/zinc/56/11/04/1181561104.db2.gz GYURBTLBKJIMQV-MRXNPFEDSA-N 2 2 343.475 2.148 10 0 EEAELP C[N@H+](CCCc1ccccc1)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481509291 1181596493 /nfs/dbraw/zinc/59/64/93/1181596493.db2.gz OOGBMWPWJARGJP-IBGZPJMESA-N 2 2 340.471 2.296 10 0 EEAELP C[N@@H+](CCCc1ccccc1)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001481509291 1181596498 /nfs/dbraw/zinc/59/64/98/1181596498.db2.gz OOGBMWPWJARGJP-IBGZPJMESA-N 2 2 340.471 2.296 10 0 EEAELP C[C@@H](C[NH2+]CCOCC1CCC1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001268073779 1181669757 /nfs/dbraw/zinc/66/97/57/1181669757.db2.gz DRTAWZRZDHHGLW-HNNXBMFYSA-N 2 2 344.459 2.201 10 0 EEAELP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001268088790 1181708119 /nfs/dbraw/zinc/70/81/19/1181708119.db2.gz CYJQXBHEHFQMSN-UONOGXRCSA-N 2 2 334.489 2.329 10 0 EEAELP C[C@H](C[NH2+]CCc1cccs1)N(C)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001268088790 1181708123 /nfs/dbraw/zinc/70/81/23/1181708123.db2.gz CYJQXBHEHFQMSN-UONOGXRCSA-N 2 2 334.489 2.329 10 0 EEAELP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001481558842 1181718307 /nfs/dbraw/zinc/71/83/07/1181718307.db2.gz DQTCUWOQUWARSL-DOTOQJQBSA-N 2 2 348.491 2.156 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1C[NH+](CCCOc2ccccc2)C1 ZINC001481561809 1181720999 /nfs/dbraw/zinc/72/09/99/1181720999.db2.gz KRRSROOUNQZMDB-LJQANCHMSA-N 2 2 345.487 2.130 10 0 EEAELP C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)[C@@H]1C[NH2+]CCC1CC1 ZINC001268195462 1181989408 /nfs/dbraw/zinc/98/94/08/1181989408.db2.gz KUXLRXGDNYHXTE-CRAIPNDOSA-N 2 2 332.492 2.370 10 0 EEAELP CCOCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001268282414 1182152940 /nfs/dbraw/zinc/15/29/40/1182152940.db2.gz XLMXOXLRZIHIAC-DZGCQCFKSA-N 2 2 330.432 2.088 10 0 EEAELP Cc1nc(C)c(C[NH2+]CC[C@H](C)NC(=O)c2cc3c[nH+]ccc3[nH]2)o1 ZINC001268377681 1182394523 /nfs/dbraw/zinc/39/45/23/1182394523.db2.gz CZRVVKZSFJRJFR-NSHDSACASA-N 2 2 341.415 2.466 10 0 EEAELP CCN(CC[NH2+]Cc1ncc(C)o1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001268500660 1183045440 /nfs/dbraw/zinc/04/54/40/1183045440.db2.gz ZZLBMRBNSZLNAQ-UHFFFAOYSA-N 2 2 344.459 2.297 10 0 EEAELP C[C@H](C[NH2+]Cc1nc2ccccc2o1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001268663821 1183590740 /nfs/dbraw/zinc/59/07/40/1183590740.db2.gz ZAHLSBISGYMUNZ-ZIAGYGMSSA-N 2 2 341.415 2.270 10 0 EEAELP O=C(NC[C@@H]1C[N@H+](CCCCCF)CCO1)c1cc2c[nH+]ccc2[nH]1 ZINC001482190787 1183602644 /nfs/dbraw/zinc/60/26/44/1183602644.db2.gz PHVNMPHFLUILOB-OAHLLOKOSA-N 2 2 348.422 2.133 10 0 EEAELP O=C(NC[C@@H]1C[N@@H+](CCCCCF)CCO1)c1cc2c[nH+]ccc2[nH]1 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2.002 10 0 EEAELP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001482301098 1185211392 /nfs/dbraw/zinc/21/13/92/1185211392.db2.gz IXUPMKIBYLYJGV-SJLPKXTDSA-N 2 2 340.471 2.391 10 0 EEAELP O=C(CCc1c[nH]c[nH+]1)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001271543457 1186302029 /nfs/dbraw/zinc/30/20/29/1186302029.db2.gz ITHISFZULXPZPQ-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP O=C(CCc1c[nH+]c[nH]1)N1CCCC[C@@H]1CC[NH2+]C[C@@H]1CCCCO1 ZINC001271543457 1186302035 /nfs/dbraw/zinc/30/20/35/1186302035.db2.gz ITHISFZULXPZPQ-MSOLQXFVSA-N 2 2 348.491 2.272 10 0 EEAELP C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)[C@H]1C[NH2+]CCc1ccccc1 ZINC001271759571 1186464013 /nfs/dbraw/zinc/46/40/13/1186464013.db2.gz RZNPDRPUFKQMCF-HKUYNNGSSA-N 2 2 340.471 2.343 10 0 EEAELP COCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 ZINC001482665157 1187542557 /nfs/dbraw/zinc/54/25/57/1187542557.db2.gz BENIFPXMBPTVJA-ZWKOTPCHSA-N 2 2 348.491 2.013 10 0 EEAELP COCCCC[N@H+]1CC[C@H]2CN(C(=O)CCCn3cc[nH+]c3)CC[C@H]21 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KGNHQVNHNGSKME-OAHLLOKOSA-N 2 2 336.439 2.442 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[NH2+]Cc1ncc(C)s1 ZINC001483228072 1189536757 /nfs/dbraw/zinc/53/67/57/1189536757.db2.gz GTUXHAGBDUOCSF-QWHCGFSZSA-N 2 2 349.504 2.456 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]Cc2c(C)noc2C)c[nH+]1 ZINC001409341886 1189547383 /nfs/dbraw/zinc/54/73/83/1189547383.db2.gz CAWWPMSEHSFQQI-CHWSQXEVSA-N 2 2 347.463 2.214 10 0 EEAELP [NH3+][C@@H]1CN(c2cc(N3CCCCC3)[nH+]cn2)CC[C@H]1C(F)(F)F ZINC000905717929 1189886002 /nfs/dbraw/zinc/88/60/02/1189886002.db2.gz LQJBKTBAPSQMKT-VXGBXAGGSA-N 2 2 329.370 2.183 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)c(C)n1 ZINC001485932470 1193650150 /nfs/dbraw/zinc/65/01/50/1193650150.db2.gz PRUJCJMLKQMDRQ-ZFWWWQNUSA-N 2 2 343.475 2.237 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)c(C)n1 ZINC001485932470 1193650152 /nfs/dbraw/zinc/65/01/52/1193650152.db2.gz PRUJCJMLKQMDRQ-ZFWWWQNUSA-N 2 2 343.475 2.237 10 0 EEAELP C[C@@H](C[NH2+]CCc1c(F)cccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001483236855 1190118592 /nfs/dbraw/zinc/11/85/92/1190118592.db2.gz CFEFAWWHEMDVOF-IACUBPJLSA-N 2 2 348.397 2.128 10 0 EEAELP C[C@@H](C[NH2+]CCc1c(F)cccc1F)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001483236855 1190118598 /nfs/dbraw/zinc/11/85/98/1190118598.db2.gz CFEFAWWHEMDVOF-IACUBPJLSA-N 2 2 348.397 2.128 10 0 EEAELP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccn(C(C)C)n1 ZINC001483344642 1190378956 /nfs/dbraw/zinc/37/89/56/1190378956.db2.gz GGVSZXGVJZJBBF-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccn(C(C)C)n1 ZINC001483344642 1190378961 /nfs/dbraw/zinc/37/89/61/1190378961.db2.gz GGVSZXGVJZJBBF-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC001483344642 1190378968 /nfs/dbraw/zinc/37/89/68/1190378968.db2.gz GGVSZXGVJZJBBF-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001483344642 1190378972 /nfs/dbraw/zinc/37/89/72/1190378972.db2.gz GGVSZXGVJZJBBF-AEFFLSMTSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccn(C(C)C)n1 ZINC001483344644 1190379362 /nfs/dbraw/zinc/37/93/62/1190379362.db2.gz GGVSZXGVJZJBBF-SJLPKXTDSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccn(C(C)C)n1 ZINC001483344644 1190379366 /nfs/dbraw/zinc/37/93/66/1190379366.db2.gz GGVSZXGVJZJBBF-SJLPKXTDSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)Cc1ccn(C(C)C)n1 ZINC001483344644 1190379369 /nfs/dbraw/zinc/37/93/69/1190379369.db2.gz GGVSZXGVJZJBBF-SJLPKXTDSA-N 2 2 349.523 2.275 10 0 EEAELP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC001483344644 1190379371 /nfs/dbraw/zinc/37/93/71/1190379371.db2.gz GGVSZXGVJZJBBF-SJLPKXTDSA-N 2 2 349.523 2.275 10 0 EEAELP C[C@H](C[N@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1c[nH+]cn1C ZINC001483415185 1190462665 /nfs/dbraw/zinc/46/26/65/1190462665.db2.gz MTNRZIUDAORMKO-BEFAXECRSA-N 2 2 340.471 2.477 10 0 EEAELP C[C@H](C[N@@H+](C)[C@H]1CCc2ccccc21)NC(=O)CCc1c[nH+]cn1C ZINC001483415185 1190462667 /nfs/dbraw/zinc/46/26/67/1190462667.db2.gz MTNRZIUDAORMKO-BEFAXECRSA-N 2 2 340.471 2.477 10 0 EEAELP Cc1conc1C[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001483421378 1190468152 /nfs/dbraw/zinc/46/81/52/1190468152.db2.gz BYEQPMVLLZKRKM-INIZCTEOSA-N 2 2 336.480 2.186 10 0 EEAELP Cc1conc1C[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001483421378 1190468157 /nfs/dbraw/zinc/46/81/57/1190468157.db2.gz BYEQPMVLLZKRKM-INIZCTEOSA-N 2 2 336.480 2.186 10 0 EEAELP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)CCc1c[nH]c[nH+]1 ZINC001483471671 1190493612 /nfs/dbraw/zinc/49/36/12/1190493612.db2.gz OLSOSLXUSQOZEA-UHFFFAOYSA-N 2 2 339.443 2.462 10 0 EEAELP CN(CCC[NH2+]Cc1ccc2cc[nH]c2c1)C(=O)CCc1c[nH+]c[nH]1 ZINC001483471671 1190493614 /nfs/dbraw/zinc/49/36/14/1190493614.db2.gz 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348.491 2.080 10 0 EEAELP CCCCC[N@@H+]1CCC[C@@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484437907 1191348969 /nfs/dbraw/zinc/34/89/69/1191348969.db2.gz KOMWLTYUWBJVLQ-LJQANCHMSA-N 2 2 344.459 2.310 10 0 EEAELP CCCCC[N@H+]1CCC[C@@](CO)(NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001484437907 1191348971 /nfs/dbraw/zinc/34/89/71/1191348971.db2.gz KOMWLTYUWBJVLQ-LJQANCHMSA-N 2 2 344.459 2.310 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@@H](CC[NH2+]C/C=C\c2ccccc2)C1 ZINC001484544356 1191407106 /nfs/dbraw/zinc/40/71/06/1191407106.db2.gz VBNWSIQVGQQIBJ-NCRRVARUSA-N 2 2 338.455 2.494 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N1CC[C@H](CC[NH2+]CCc2ccccc2F)C1 ZINC001484544609 1191407205 /nfs/dbraw/zinc/40/72/05/1191407205.db2.gz XPPZGSSXPKWUBV-HNNXBMFYSA-N 2 2 344.434 2.162 10 0 EEAELP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1COCC[NH+]1CC(C)C)c1ccccc1 ZINC001484611282 1191442066 /nfs/dbraw/zinc/44/20/66/1191442066.db2.gz YQTGQPFKLRXCQK-MOPGFXCFSA-N 2 2 347.503 2.152 10 0 EEAELP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1COCC[NH+]1CC(C)C)c1ccccc1 ZINC001484611282 1191442067 /nfs/dbraw/zinc/44/20/67/1191442067.db2.gz YQTGQPFKLRXCQK-MOPGFXCFSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NC[C@@H]1COCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001484611282 1191442068 /nfs/dbraw/zinc/44/20/68/1191442068.db2.gz YQTGQPFKLRXCQK-MOPGFXCFSA-N 2 2 347.503 2.152 10 0 EEAELP CC[NH+](C)[C@H](C(=O)NC[C@@H]1COCC[N@H+]1CC(C)C)c1ccccc1 ZINC001484611282 1191442070 /nfs/dbraw/zinc/44/20/70/1191442070.db2.gz YQTGQPFKLRXCQK-MOPGFXCFSA-N 2 2 347.503 2.152 10 0 EEAELP O=C(CCn1cc[nH+]c1)NCC1([NH2+]C[C@H]2CCC(F)(F)C2)CCC1 ZINC001484646307 1191452706 /nfs/dbraw/zinc/45/27/06/1191452706.db2.gz OHKKRMLFOWNMKP-AWEZNQCLSA-N 2 2 340.418 2.337 10 0 EEAELP CC(C)c1cnc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)o1 ZINC001484662832 1191463175 /nfs/dbraw/zinc/46/31/75/1191463175.db2.gz XHDKQAWZYYOVBB-UHFFFAOYSA-N 2 2 334.464 2.022 10 0 EEAELP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1[NH2+]CCCc1ccccc1 ZINC001484899074 1191568450 /nfs/dbraw/zinc/56/84/50/1191568450.db2.gz KLUNVXRZQUEEOF-QAPCUYQASA-N 2 2 326.444 2.022 10 0 EEAELP CC(C)COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485061246 1191639203 /nfs/dbraw/zinc/63/92/03/1191639203.db2.gz UJSVBWLTZSUADN-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)COCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001485061246 1191639205 /nfs/dbraw/zinc/63/92/05/1191639205.db2.gz UJSVBWLTZSUADN-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)COCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485061246 1191639206 /nfs/dbraw/zinc/63/92/06/1191639206.db2.gz UJSVBWLTZSUADN-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP CC(C)COCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001485061246 1191639208 /nfs/dbraw/zinc/63/92/08/1191639208.db2.gz UJSVBWLTZSUADN-BRWVUGGUSA-N 2 2 348.491 2.109 10 0 EEAELP Cc1cc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001485312382 1191729778 /nfs/dbraw/zinc/72/97/78/1191729778.db2.gz IEYJPDNMLBICKI-MAUKXSAKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)on1 ZINC001485312382 1191729780 /nfs/dbraw/zinc/72/97/80/1191729780.db2.gz IEYJPDNMLBICKI-MAUKXSAKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)on1 ZINC001485312382 1191729782 /nfs/dbraw/zinc/72/97/82/1191729782.db2.gz IEYJPDNMLBICKI-MAUKXSAKSA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)on1 ZINC001485312382 1191729783 /nfs/dbraw/zinc/72/97/83/1191729783.db2.gz IEYJPDNMLBICKI-MAUKXSAKSA-N 2 2 348.491 2.327 10 0 EEAELP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001485513828 1191816495 /nfs/dbraw/zinc/81/64/95/1191816495.db2.gz RLNASFWOPMTQDC-HZPDHXFCSA-N 2 2 332.492 2.318 10 0 EEAELP Cc1nc(C[N@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)c(C)o1 ZINC001486511197 1194027842 /nfs/dbraw/zinc/02/78/42/1194027842.db2.gz XVMSVAVFPACNBQ-UHFFFAOYSA-N 2 2 346.475 2.024 10 0 EEAELP Cc1nc(C[N@@H+]2CC=C(CNC(=O)C3([NH+](C)C)CCC3)CC2)c(C)o1 ZINC001486511197 1194027844 /nfs/dbraw/zinc/02/78/44/1194027844.db2.gz XVMSVAVFPACNBQ-UHFFFAOYSA-N 2 2 346.475 2.024 10 0 EEAELP CC(C)C[C@@H](C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001410122245 1197556347 /nfs/dbraw/zinc/55/63/47/1197556347.db2.gz VUDUCQGTOBCRGB-TVFCKZIOSA-N 2 2 346.519 2.329 10 0 EEAELP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCc3[nH+]ccn3C)[C@@H]2C1 ZINC001410122245 1197556348 /nfs/dbraw/zinc/55/63/48/1197556348.db2.gz VUDUCQGTOBCRGB-TVFCKZIOSA-N 2 2 346.519 2.329 10 0 EEAELP O=C(CCn1cc[nH+]c1)N[C@H]1C[C@H](C[NH2+]C/C(Cl)=C/Cl)C1 ZINC001410212763 1197606558 /nfs/dbraw/zinc/60/65/58/1197606558.db2.gz WIUDZGONFYTYBP-IKDFDVDSSA-N 2 2 331.247 2.077 10 0 EEAELP C[N@H+](CCOC1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001410216256 1197610651 /nfs/dbraw/zinc/61/06/51/1197610651.db2.gz GSTRTJIPJRRSAI-IAGOWNOFSA-N 2 2 346.475 2.005 10 0 EEAELP C[N@@H+](CCOC1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001410216256 1197610652 /nfs/dbraw/zinc/61/06/52/1197610652.db2.gz GSTRTJIPJRRSAI-IAGOWNOFSA-N 2 2 346.475 2.005 10 0 EEAELP C[N@H+](CCOC1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001410216256 1197610655 /nfs/dbraw/zinc/61/06/55/1197610655.db2.gz GSTRTJIPJRRSAI-IAGOWNOFSA-N 2 2 346.475 2.005 10 0 EEAELP C[N@@H+](CCOC1CCC1)C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001410216256 1197610656 /nfs/dbraw/zinc/61/06/56/1197610656.db2.gz GSTRTJIPJRRSAI-IAGOWNOFSA-N 2 2 346.475 2.005 10 0 EEAELP Cc1nc(C[NH2+][C@H](CCNC(=O)Cn2cc[nH+]c2)C(C)C)sc1C ZINC001410281655 1197657905 /nfs/dbraw/zinc/65/79/05/1197657905.db2.gz MCPWIJNSEHZFMQ-OAHLLOKOSA-N 2 2 349.504 2.277 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)C[C@H](C)[NH2+]Cc2ccns2)c[nH+]1 ZINC001410389628 1197789332 /nfs/dbraw/zinc/78/93/32/1197789332.db2.gz HALRXEVJMYYGAM-LBPRGKRZSA-N 2 2 335.477 2.020 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148754 1198057828 /nfs/dbraw/zinc/05/78/28/1198057828.db2.gz QYJPBYAQLBSXEF-REWJHTLYSA-N 2 2 335.414 2.235 10 0 EEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872148754 1198057835 /nfs/dbraw/zinc/05/78/35/1198057835.db2.gz QYJPBYAQLBSXEF-REWJHTLYSA-N 2 2 335.414 2.235 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000865573878 1198282310 /nfs/dbraw/zinc/28/23/10/1198282310.db2.gz NEUASBVSLSKWLJ-NSHDSACASA-N 2 2 337.221 2.223 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)o1 ZINC001410855241 1198506083 /nfs/dbraw/zinc/50/60/83/1198506083.db2.gz PWOMCRCJYLOUMD-GJZGRUSLSA-N 2 2 336.480 2.217 10 0 EEAELP CC(C)c1cnc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)o1 ZINC001410855241 1198506086 /nfs/dbraw/zinc/50/60/86/1198506086.db2.gz PWOMCRCJYLOUMD-GJZGRUSLSA-N 2 2 336.480 2.217 10 0 EEAELP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000810253338 1199405893 /nfs/dbraw/zinc/40/58/93/1199405893.db2.gz RPCNPUWKFYXUNI-IJLUTSLNSA-N 2 2 327.375 2.224 10 0 EEAELP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)n2)C1 ZINC000870859848 1200915896 /nfs/dbraw/zinc/91/58/96/1200915896.db2.gz ILYMKPBQYRZZJZ-LKQDWFRTSA-N 2 2 334.489 2.441 10 0 EEAELP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)n2)C1 ZINC000870859848 1200915904 /nfs/dbraw/zinc/91/59/04/1200915904.db2.gz ILYMKPBQYRZZJZ-LKQDWFRTSA-N 2 2 334.489 2.441 10 0 EEAELP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cc(-n3cc[nH+]c3)ccn2)C1 ZINC000870990392 1200993098 /nfs/dbraw/zinc/99/30/98/1200993098.db2.gz XVWCFTIPDXMWON-SFHVURJKSA-N 2 2 327.432 2.104 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411860 1201510538 /nfs/dbraw/zinc/51/05/38/1201510538.db2.gz XNZHHHDYDDKHBP-IHPCNDPISA-N 2 2 345.531 2.332 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411860 1201510541 /nfs/dbraw/zinc/51/05/41/1201510541.db2.gz XNZHHHDYDDKHBP-IHPCNDPISA-N 2 2 345.531 2.332 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC/C=C/C[NH2+]Cc3ncccc3C)ccn12 ZINC001274025761 1204331859 /nfs/dbraw/zinc/33/18/59/1204331859.db2.gz MODCTJWNXIQISW-ONEGZZNKSA-N 2 2 349.438 2.422 10 0 EEAELP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCC=CC[NH2+]CCC(C)(C)C)[nH]n1 ZINC001274050154 1204347485 /nfs/dbraw/zinc/34/74/85/1204347485.db2.gz YRCANZSIHKNXTK-FUTAKVPZSA-N 2 2 347.507 2.488 10 0 EEAELP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCC=CC[NH2+]CCC(C)(C)C)[nH]n1 ZINC001274050154 1204347488 /nfs/dbraw/zinc/34/74/88/1204347488.db2.gz YRCANZSIHKNXTK-FUTAKVPZSA-N 2 2 347.507 2.488 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC/C=C/C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001274629817 1205105757 /nfs/dbraw/zinc/10/57/57/1205105757.db2.gz BLYGQHWJZNQFFU-WZHGYECESA-N 2 2 346.381 2.111 10 0 EEAELP C[C@@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001275209142 1205282118 /nfs/dbraw/zinc/28/21/18/1205282118.db2.gz PXXAYFDGRIDGKV-QMMRJVTOSA-N 2 2 338.455 2.253 10 0 EEAELP Cc1ncsc1C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001275452478 1205367473 /nfs/dbraw/zinc/36/74/73/1205367473.db2.gz PTFLRKZTDLAIII-RYUDHWBXSA-N 2 2 343.456 2.396 10 0 EEAELP C[C@@H](NC(=O)CCn1cc[nH+]c1)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001275458662 1205370004 /nfs/dbraw/zinc/37/00/04/1205370004.db2.gz CBHHBIICNPNIQM-LSDHHAIUSA-N 2 2 339.443 2.438 10 0 EEAELP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl ZINC001275725633 1205500526 /nfs/dbraw/zinc/50/05/26/1205500526.db2.gz MLTUPNAYAGRNOE-GFUIURDCSA-N 2 2 326.872 2.415 10 0 EEAELP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl ZINC001275725633 1205500527 /nfs/dbraw/zinc/50/05/27/1205500527.db2.gz MLTUPNAYAGRNOE-GFUIURDCSA-N 2 2 326.872 2.415 10 0 EEAELP CCn1nc(C)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)n1 ZINC000925935702 1206171538 /nfs/dbraw/zinc/17/15/38/1206171538.db2.gz GNJAYPYVPCOCSM-BBRMVZONSA-N 2 2 343.479 2.315 10 0 EEAELP CC(C)n1ncc2ccc(NC(=O)NCC[NH+]3CCC([NH3+])CC3)cc21 ZINC000925996739 1206180081 /nfs/dbraw/zinc/18/00/81/1206180081.db2.gz DJDWSIGUGWTBFT-UHFFFAOYSA-N 2 2 344.463 2.162 10 0 EEAELP C[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982919 1206525092 /nfs/dbraw/zinc/52/50/92/1206525092.db2.gz RUAAQYSPRCVCOG-YZGWKJHDSA-N 2 2 330.472 2.387 10 0 EEAELP C[N@@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000929982919 1206525093 /nfs/dbraw/zinc/52/50/93/1206525093.db2.gz RUAAQYSPRCVCOG-YZGWKJHDSA-N 2 2 330.472 2.387 10 0 EEAELP O[C@@H]1CC[N@@H+](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC000931067296 1206604244 /nfs/dbraw/zinc/60/42/44/1206604244.db2.gz OYBCUENEFRXZMX-CQSZACIVSA-N 2 2 342.842 2.389 10 0 EEAELP O[C@@H]1CC[N@H+](C2CC[NH+](CCOc3ccc(F)c(Cl)c3)CC2)C1 ZINC000931067296 1206604245 /nfs/dbraw/zinc/60/42/45/1206604245.db2.gz OYBCUENEFRXZMX-CQSZACIVSA-N 2 2 342.842 2.389 10 0 EEAELP C[NH+](C)[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@H]21 ZINC000931283353 1206621778 /nfs/dbraw/zinc/62/17/78/1206621778.db2.gz UYEOVLJKWAOZSR-FJJYHAOUSA-N 2 2 345.270 2.225 10 0 EEAELP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C[C@H]21 ZINC000931283353 1206621779 /nfs/dbraw/zinc/62/17/79/1206621779.db2.gz UYEOVLJKWAOZSR-FJJYHAOUSA-N 2 2 345.270 2.225 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440030 1207380433 /nfs/dbraw/zinc/38/04/33/1207380433.db2.gz DJZCPRWKHQETDQ-HRCADAONSA-N 2 2 345.512 2.397 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931440030 1207380437 /nfs/dbraw/zinc/38/04/37/1207380437.db2.gz DJZCPRWKHQETDQ-HRCADAONSA-N 2 2 345.512 2.397 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931440030 1207380443 /nfs/dbraw/zinc/38/04/43/1207380443.db2.gz DJZCPRWKHQETDQ-HRCADAONSA-N 2 2 345.512 2.397 10 0 EEAELP C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931440030 1207380446 /nfs/dbraw/zinc/38/04/46/1207380446.db2.gz DJZCPRWKHQETDQ-HRCADAONSA-N 2 2 345.512 2.397 10 0 EEAELP O=C(Cc1c[nH+]c[nH]1)N1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001490843251 1208467791 /nfs/dbraw/zinc/46/77/91/1208467791.db2.gz NENWEDWQBMIPQO-KRWDZBQOSA-N 2 2 326.444 2.166 10 0 EEAELP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000796574473 1221420749 /nfs/dbraw/zinc/42/07/49/1221420749.db2.gz FGMZYGULNYSRQB-KRWDZBQOSA-N 2 2 349.381 2.224 10 0 EEAELP CC[N@H+](C)[C@@H](C(=O)OC[C@H]1C[NH+](C(C)C)CCO1)c1ccccc1 ZINC000802138830 1236980666 /nfs/dbraw/zinc/98/06/66/1236980666.db2.gz PVFHALNLOJENGE-QZTJIDSGSA-N 2 2 334.460 2.332 10 0 EEAELP CC[N@@H+](C)[C@@H](C(=O)OC[C@H]1C[NH+](C(C)C)CCO1)c1ccccc1 ZINC000802138830 1236980669 /nfs/dbraw/zinc/98/06/69/1236980669.db2.gz PVFHALNLOJENGE-QZTJIDSGSA-N 2 2 334.460 2.332 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)OC[C@H]1C[N@@H+](C(C)C)CCO1)c1ccccc1 ZINC000802138830 1236980671 /nfs/dbraw/zinc/98/06/71/1236980671.db2.gz PVFHALNLOJENGE-QZTJIDSGSA-N 2 2 334.460 2.332 10 0 EEAELP CC[NH+](C)[C@@H](C(=O)OC[C@H]1C[N@H+](C(C)C)CCO1)c1ccccc1 ZINC000802138830 1236980676 /nfs/dbraw/zinc/98/06/76/1236980676.db2.gz PVFHALNLOJENGE-QZTJIDSGSA-N 2 2 334.460 2.332 10 0 EEAELP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1COc2ccccc2C1 ZINC000903053804 1239631818 /nfs/dbraw/zinc/63/18/18/1239631818.db2.gz CPYHJSHIVGFBHJ-VDZJLULYSA-N 2 2 330.472 2.469 10 0 EEAELP Cc1ccc([C@@H](C[NH2+][C@@H]2CC[NH2+]C23CCC3)N2CCOCC2)cc1 ZINC000925485204 1284505168 /nfs/dbraw/zinc/50/51/68/1284505168.db2.gz LIDCPFJOCGWBAG-RTBURBONSA-N 2 2 329.488 2.243 10 0 EEAELP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001671089715 1284625655 /nfs/dbraw/zinc/62/56/55/1284625655.db2.gz AZOAVEGASKWBEI-IBGZPJMESA-N 2 2 332.492 2.467 10 0 EEAELP CCCCC[N@H+]1CC[C@]2(CCN(C(=O)CCc3c[nH+]cn3C)C2)C1 ZINC001671089715 1284625672 /nfs/dbraw/zinc/62/56/72/1284625672.db2.gz AZOAVEGASKWBEI-IBGZPJMESA-N 2 2 332.492 2.467 10 0 EEAELP Cc1cccn2cc(CC(=O)NCCC[N@@H+](C)CC[C@H](C)F)[nH+]c12 ZINC001490259338 1291072493 /nfs/dbraw/zinc/07/24/93/1291072493.db2.gz SLCUQABUPONOIQ-HNNXBMFYSA-N 2 2 334.439 2.371 10 0 EEAELP Cc1cccn2cc(CC(=O)NCCC[N@H+](C)CC[C@H](C)F)[nH+]c12 ZINC001490259338 1291072498 /nfs/dbraw/zinc/07/24/98/1291072498.db2.gz SLCUQABUPONOIQ-HNNXBMFYSA-N 2 2 334.439 2.371 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001490794332 1291738621 /nfs/dbraw/zinc/73/86/21/1291738621.db2.gz YAYZAEOVBUGRDA-UQQDIPGASA-N 2 2 342.487 2.477 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001490794332 1291738625 /nfs/dbraw/zinc/73/86/25/1291738625.db2.gz YAYZAEOVBUGRDA-UQQDIPGASA-N 2 2 342.487 2.477 10 0 EEAELP CCON(CC)C(=O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000862452126 1295848938 /nfs/dbraw/zinc/84/89/38/1295848938.db2.gz JLZNFKBDPPCTQQ-DOTOQJQBSA-N 2 2 325.497 2.419 10 0 EEAELP Cc1ccc(F)c(C[NH2+][C@H]2C[C@H](NC(=O)CCc3[nH+]ccn3C)C2)c1 ZINC001490911828 1296739005 /nfs/dbraw/zinc/73/90/05/1296739005.db2.gz LFKKXKKDTSRNGL-WKILWMFISA-N 2 2 344.434 2.237 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@H](CO)[NH2+]CCCC(C)(C)C)ccn12 ZINC001278077674 1305900443 /nfs/dbraw/zinc/90/04/43/1305900443.db2.gz MWUYZQZIISILGT-MRXNPFEDSA-N 2 2 346.475 2.149 10 0 EEAELP Cc1cccn2cc(CC(=O)N3C[C@@H]([NH2+]CCCF)C[C@H]3C)[nH+]c12 ZINC001278403313 1310063152 /nfs/dbraw/zinc/06/31/52/1310063152.db2.gz HVERGSCWTOIZEY-CABCVRRESA-N 2 2 332.423 2.124 10 0 EEAELP COCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3c(C)cc(C)[nH+]c3C)C[C@H]21 ZINC001278486721 1310606128 /nfs/dbraw/zinc/60/61/28/1310606128.db2.gz IYXHRIPRBMKYPZ-RCCFBDPRSA-N 2 2 345.487 2.484 10 0 EEAELP C[NH+]1CCC(CNC(=S)NC2(C)CCC2)([NH+]2CCCCC2)CC1 ZINC000840733466 1315404097 /nfs/dbraw/zinc/40/40/97/1315404097.db2.gz ROPAPFVIKJZHLP-UHFFFAOYSA-N 2 2 338.565 2.343 10 0 EEAELP Cc1cc(C)cc(-n2ncc(C[NH+]3CCC(OCCC[NH3+])CC3)n2)c1 ZINC000843056285 1315830957 /nfs/dbraw/zinc/83/09/57/1315830957.db2.gz HIDJKLKUGKPGQK-UHFFFAOYSA-N 2 2 343.475 2.214 10 0 EEAELP Cc1cnc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)Cc2c[nH+]c[nH]2)o1 ZINC001263956101 1322567915 /nfs/dbraw/zinc/56/79/15/1322567915.db2.gz RCOQQLRAWONBPG-XJKSGUPXSA-N 2 2 345.447 2.056 10 0 EEAELP COCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001281087934 1322834813 /nfs/dbraw/zinc/83/48/13/1322834813.db2.gz OKWHWPKVLZABCL-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP COCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001281087934 1322834816 /nfs/dbraw/zinc/83/48/16/1322834816.db2.gz OKWHWPKVLZABCL-IBGZPJMESA-N 2 2 348.491 2.083 10 0 EEAELP C[N@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1cccc(F)c1 ZINC001265003947 1322850547 /nfs/dbraw/zinc/85/05/47/1322850547.db2.gz FGUXICKDXIETGF-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@H]1CCn2cc[nH+]c2C1)Cc1cccc(F)c1 ZINC001265003947 1322850552 /nfs/dbraw/zinc/85/05/52/1322850552.db2.gz FGUXICKDXIETGF-INIZCTEOSA-N 2 2 344.434 2.223 10 0 EEAELP Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)no1 ZINC001265073103 1322908041 /nfs/dbraw/zinc/90/80/41/1322908041.db2.gz QBJDHKCZITVTBF-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1cc(C[N@@H+](C)CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)no1 ZINC001265073103 1322908046 /nfs/dbraw/zinc/90/80/46/1322908046.db2.gz QBJDHKCZITVTBF-GOSISDBHSA-N 2 2 344.459 2.224 10 0 EEAELP Cc1cccnc1C[N@@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265931865 1323496119 /nfs/dbraw/zinc/49/61/19/1323496119.db2.gz YLAKFKDYAXPWEI-INIZCTEOSA-N 2 2 329.448 2.176 10 0 EEAELP Cc1cccnc1C[N@H+](C)CCCNC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001265931865 1323496124 /nfs/dbraw/zinc/49/61/24/1323496124.db2.gz YLAKFKDYAXPWEI-INIZCTEOSA-N 2 2 329.448 2.176 10 0 EEAELP COCCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1[nH]c[nH+]c1C ZINC001266010552 1323562337 /nfs/dbraw/zinc/56/23/37/1323562337.db2.gz KGHSBIPBMGSUMF-WBVHZDCISA-N 2 2 336.480 2.046 10 0 EEAELP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]Cc2nccs2)C1)c1c[nH+]c[nH]1 ZINC001280264133 1324134424 /nfs/dbraw/zinc/13/44/24/1324134424.db2.gz SFXBCPSSIIKEIX-CYBMUJFWSA-N 2 2 347.488 2.172 10 0 EEAELP Cc1ccncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc2[nH+]ccn21 ZINC001282155950 1325635556 /nfs/dbraw/zinc/63/55/56/1325635556.db2.gz KQSBWGYTKWDCPL-HUUCEWRRSA-N 2 2 337.427 2.334 10 0 EEAELP CCCCCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001282773921 1325782301 /nfs/dbraw/zinc/78/23/01/1325782301.db2.gz UDSZSGVOPBUTCC-IBGZPJMESA-N 2 2 348.491 2.157 10 0 EEAELP CCCCCC[N@H+]1CCO[C@@]2(CCN(C(=O)CCn3cc[nH+]c3)C2)C1 ZINC001282773921 1325782304 /nfs/dbraw/zinc/78/23/04/1325782304.db2.gz UDSZSGVOPBUTCC-IBGZPJMESA-N 2 2 348.491 2.157 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]2C1 ZINC001282957777 1325853546 /nfs/dbraw/zinc/85/35/46/1325853546.db2.gz IVNDNHUUBPEKNG-GVDBMIGSSA-N 2 2 336.455 2.240 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H]1CC[C@H]2C[N@H+](CCCCCF)C[C@H]2C1 ZINC001282957777 1325853547 /nfs/dbraw/zinc/85/35/47/1325853547.db2.gz IVNDNHUUBPEKNG-GVDBMIGSSA-N 2 2 336.455 2.240 10 0 EEAELP CC(C)OCC[NH2+]C1CC(N(C)C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001284774054 1326707286 /nfs/dbraw/zinc/70/72/86/1326707286.db2.gz MQGSQVCMSFTKBJ-UHFFFAOYSA-N 2 2 330.432 2.181 10 0 EEAELP Cc1cc(C[N@H+]2CC=C(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cs1 ZINC001284968537 1326801299 /nfs/dbraw/zinc/80/12/99/1326801299.db2.gz KXJAZYXOODEMNR-UHFFFAOYSA-N 2 2 330.457 2.271 10 0 EEAELP Cc1cc(C[N@@H+]2CC=C(CNC(=O)Cc3[nH]cc[nH+]3)CC2)cs1 ZINC001284968537 1326801303 /nfs/dbraw/zinc/80/13/03/1326801303.db2.gz KXJAZYXOODEMNR-UHFFFAOYSA-N 2 2 330.457 2.271 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001284976396 1326805203 /nfs/dbraw/zinc/80/52/03/1326805203.db2.gz HDYACRDHAWIVJH-UHFFFAOYSA-N 2 2 330.476 2.291 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001284976396 1326805205 /nfs/dbraw/zinc/80/52/05/1326805205.db2.gz HDYACRDHAWIVJH-UHFFFAOYSA-N 2 2 330.476 2.291 10 0 EEAELP COCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn3c(C)c[nH+]c3c2)C1 ZINC001491873767 1330283458 /nfs/dbraw/zinc/28/34/58/1330283458.db2.gz FXEOKLMSIBJYAG-IRXDYDNUSA-N 2 2 344.459 2.310 10 0 EEAELP Cc1ncc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCCn3cc[nH+]c3)C2)o1 ZINC001491895622 1330293863 /nfs/dbraw/zinc/29/38/63/1330293863.db2.gz HPZLWQHQSVRCDS-CVEARBPZSA-N 2 2 345.447 2.177 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@@H+]1CCC1CCOCC1 ZINC001492170656 1331047676 /nfs/dbraw/zinc/04/76/76/1331047676.db2.gz GONAPWJKQDFCEZ-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP O=C(Cc1c[nH]c[nH+]1)NCCC[C@@H]1CCC[N@H+]1CCC1CCOCC1 ZINC001492170656 1331047679 /nfs/dbraw/zinc/04/76/79/1331047679.db2.gz GONAPWJKQDFCEZ-GOSISDBHSA-N 2 2 348.491 2.130 10 0 EEAELP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001317393227 1331424527 /nfs/dbraw/zinc/42/45/27/1331424527.db2.gz OXBKKSDEZWBQRW-NEPJUHHUSA-N 2 2 341.393 2.244 10 0 EEAELP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(F)(F)C(F)F ZINC001317393227 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2.291 10 0 EEAELP C[C@@H]1C[C@@H](C[NH2+]CCN(C)C(=O)c2cc3c[nH+]ccc3[nH]2)CCO1 ZINC001317600689 1332320019 /nfs/dbraw/zinc/32/00/19/1332320019.db2.gz OTVJQXQDFWJYMC-KGLIPLIRSA-N 2 2 330.432 2.040 10 0 EEAELP CCc1ccc(C[NH2+]CCN(C)C(=O)CCc2c[nH+]cn2C)cc1 ZINC001317653381 1332351289 /nfs/dbraw/zinc/35/12/89/1332351289.db2.gz FWAVCSDURXBRSN-UHFFFAOYSA-N 2 2 328.460 2.163 10 0 EEAELP Cc1ncc(C[NH2+]CC[C@H]2CCCCN2C(=O)Cc2c[nH+]c[nH]2)s1 ZINC001319776566 1332765346 /nfs/dbraw/zinc/76/53/46/1332765346.db2.gz BEQBRFSYTZLAHI-OAHLLOKOSA-N 2 2 347.488 2.278 10 0 EEAELP C[C@H](CC[NH2+]CCOC1CCC1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001320465134 1332890274 /nfs/dbraw/zinc/89/02/74/1332890274.db2.gz XNCOLTJDHIFNGZ-CYBMUJFWSA-N 2 2 330.432 2.230 10 0 EEAELP C[C@H](CC[NH2+]CCc1cccs1)NC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001320468003 1332890951 /nfs/dbraw/zinc/89/09/51/1332890951.db2.gz HRQDFKYHQZVJFI-CABCVRRESA-N 2 2 346.500 2.234 10 0 EEAELP CCN(CC[NH2+]C[C@H]1CC(C)(C)CO1)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001320854846 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/nfs/dbraw/zinc/18/42/81/1355184281.db2.gz ADWHYLGTLSERKR-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP CC[C@@H](F)C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C(C)C ZINC001664516373 1355184284 /nfs/dbraw/zinc/18/42/84/1355184284.db2.gz ADWHYLGTLSERKR-HZPDHXFCSA-N 2 2 338.471 2.410 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@](C)(C[NH2+]CC[C@@H]1CCCCO1)C1CC1 ZINC001666037873 1355429761 /nfs/dbraw/zinc/42/97/61/1355429761.db2.gz NVLHBXGRGHMTTB-QFBILLFUSA-N 2 2 348.491 2.094 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]1C[NH2+]CC=C(Cl)Cl ZINC001666479388 1355530677 /nfs/dbraw/zinc/53/06/77/1355530677.db2.gz YRZWUAHVRLPULJ-LLVKDONJSA-N 2 2 331.247 2.160 10 0 EEAELP CCN(CC[NH2+]CC1CC(F)(F)C1)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001668570299 1355965094 /nfs/dbraw/zinc/96/50/94/1355965094.db2.gz QUUGMSOADQWAOT-CYBMUJFWSA-N 2 2 328.407 2.318 10 0 EEAELP CN(CCC[NH2+]Cc1ccc(Cl)nc1)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001670312713 1356317336 /nfs/dbraw/zinc/31/73/36/1356317336.db2.gz MAEYNRVVLYJCLE-UHFFFAOYSA-N 2 2 349.866 2.374 10 0 EEAELP CC(C)OCC[NH2+]C[C@H]1CN(C(=O)c2cc3c[nH+]ccc3[nH]2)C[C@@H]1C ZINC001672286638 1356493895 /nfs/dbraw/zinc/49/38/95/1356493895.db2.gz JWUSDHMDMKQYGN-HOCLYGCPSA-N 2 2 344.459 2.286 10 0 EEAELP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)CC1 ZINC001672369231 1356510342 /nfs/dbraw/zinc/51/03/42/1356510342.db2.gz QGHIWNQGYJJMOZ-BRWVUGGUSA-N 2 2 332.492 2.368 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001672538319 1356550371 /nfs/dbraw/zinc/55/03/71/1356550371.db2.gz PCYAVZBRUGRALK-CGTJXYLNSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001672538319 1356550374 /nfs/dbraw/zinc/55/03/74/1356550374.db2.gz PCYAVZBRUGRALK-CGTJXYLNSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001672538319 1356550379 /nfs/dbraw/zinc/55/03/79/1356550379.db2.gz PCYAVZBRUGRALK-CGTJXYLNSA-N 2 2 348.491 2.080 10 0 EEAELP CCOCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)Cc1c[nH+]c[nH]1 ZINC001672538319 1356550384 /nfs/dbraw/zinc/55/03/84/1356550384.db2.gz PCYAVZBRUGRALK-CGTJXYLNSA-N 2 2 348.491 2.080 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)NCC1([NH2+]CCOC2CCCCCC2)CCC1 ZINC001673221973 1356655423 /nfs/dbraw/zinc/65/54/23/1356655423.db2.gz OUZYXVOPUXACCM-UHFFFAOYSA-N 2 2 348.491 2.320 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)NCC1([NH2+]CCC[C@@H]2CCOC2)CCCC1 ZINC001698804996 1405077489 /nfs/dbraw/zinc/07/74/89/1405077489.db2.gz CFAPAADYBSGQOO-MRXNPFEDSA-N 2 2 348.491 2.096 10 0 EEAELP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]CCCc1ccccc1 ZINC001698891495 1405134204 /nfs/dbraw/zinc/13/42/04/1405134204.db2.gz HWTWQUTVHGBSGF-FUHWJXTLSA-N 2 2 340.471 2.412 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001699035115 1405243312 /nfs/dbraw/zinc/24/33/12/1405243312.db2.gz UZUYJBMZSQODRK-WMLDXEAASA-N 2 2 346.500 2.141 10 0 EEAELP Cc1ccc2sc(C[NH2+]C[C@@H](C)NC(=O)Cn3cc[nH+]c3)nc2c1 ZINC001699391290 1405346502 /nfs/dbraw/zinc/34/65/02/1405346502.db2.gz KHVDOUYZFCPVNC-CYBMUJFWSA-N 2 2 343.456 2.096 10 0 EEAELP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000920575037 770754969 /nfs/dbraw/zinc/75/49/69/770754969.db2.gz GOFVLPHFCSLLKG-SFHVURJKSA-N 2 2 326.444 2.396 10 0 EEAELP CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)Cn1cc[nH+]c1 ZINC000920575037 770754978 /nfs/dbraw/zinc/75/49/78/770754978.db2.gz GOFVLPHFCSLLKG-SFHVURJKSA-N 2 2 326.444 2.396 10 0 EEAELP Cn1c(Cl)ncc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000846775748 790538921 /nfs/dbraw/zinc/53/89/21/790538921.db2.gz UZRJHVSKOUZCHD-ZDUSSCGKSA-N 2 2 334.855 2.221 10 0 EEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000820808390 786462824 /nfs/dbraw/zinc/46/28/24/786462824.db2.gz DVOYHVKOKXEDKH-CRAIPNDOSA-N 2 2 329.448 2.029 10 0 EEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000820808390 786462827 /nfs/dbraw/zinc/46/28/27/786462827.db2.gz DVOYHVKOKXEDKH-CRAIPNDOSA-N 2 2 329.448 2.029 10 0 EEAELP COc1nccnc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000823944349 787995160 /nfs/dbraw/zinc/99/51/60/787995160.db2.gz YENHLLBXBDEOSE-UHFFFAOYSA-N 2 2 341.459 2.310 10 0 EEAELP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1noc(-c3ccccc3)n1)CC2 ZINC000923452834 789586380 /nfs/dbraw/zinc/58/63/80/789586380.db2.gz ICNVPAXZJHILNO-OAHLLOKOSA-N 2 2 328.416 2.066 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536024 789737354 /nfs/dbraw/zinc/73/73/54/789737354.db2.gz HBHWBJNJGVOOIO-HXUWFJFHSA-N 2 2 341.455 2.281 10 0 EEAELP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923536024 789737359 /nfs/dbraw/zinc/73/73/59/789737359.db2.gz HBHWBJNJGVOOIO-HXUWFJFHSA-N 2 2 341.455 2.281 10 0 EEAELP C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000716071612 795598418 /nfs/dbraw/zinc/59/84/18/795598418.db2.gz KTTGVWIODWFJOO-DVHLICQRSA-N 2 2 336.501 2.062 10 0 EEAELP C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000716071612 795598422 /nfs/dbraw/zinc/59/84/22/795598422.db2.gz KTTGVWIODWFJOO-DVHLICQRSA-N 2 2 336.501 2.062 10 0 EEAELP CC[C@H](Cn1cncn1)[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000788606808 807601063 /nfs/dbraw/zinc/60/10/63/807601063.db2.gz AHMNDHLPJDNOPK-MRXNPFEDSA-N 2 2 342.491 2.381 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001566070691 1125543428 /nfs/dbraw/zinc/54/34/28/1125543428.db2.gz IADJYSICKSNKHN-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP CC(C)OCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001566070691 1125543436 /nfs/dbraw/zinc/54/34/36/1125543436.db2.gz IADJYSICKSNKHN-GVDBMIGSSA-N 2 2 348.491 2.299 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@@H+]1CCCCCF ZINC001566094317 1125556095 /nfs/dbraw/zinc/55/60/95/1125556095.db2.gz ISOITBJXSYYQRS-VYDXJSESSA-N 2 2 336.455 2.164 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)CC[N@H+]1CCCCCF ZINC001566094317 1125556101 /nfs/dbraw/zinc/55/61/01/1125556101.db2.gz ISOITBJXSYYQRS-VYDXJSESSA-N 2 2 336.455 2.164 10 0 EEAELP Cc1cnc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)s1 ZINC001436482201 1087968098 /nfs/dbraw/zinc/96/80/98/1087968098.db2.gz SZWPKLZKZNZXFA-HIFRSBDPSA-N 2 2 336.505 2.015 10 0 EEAELP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)[C@H]2C)s1 ZINC001436482201 1087968114 /nfs/dbraw/zinc/96/81/14/1087968114.db2.gz SZWPKLZKZNZXFA-HIFRSBDPSA-N 2 2 336.505 2.015 10 0 EEAELP Cc1cnc(C[NH+]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)[C@H]2C)s1 ZINC001436482201 1087968128 /nfs/dbraw/zinc/96/81/28/1087968128.db2.gz SZWPKLZKZNZXFA-HIFRSBDPSA-N 2 2 336.505 2.015 10 0 EEAELP Cc1cnc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C3CCC3)[C@H]2C)s1 ZINC001436482201 1087968137 /nfs/dbraw/zinc/96/81/37/1087968137.db2.gz SZWPKLZKZNZXFA-HIFRSBDPSA-N 2 2 336.505 2.015 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C2CC2)c(C)n1 ZINC001436786336 1088342171 /nfs/dbraw/zinc/34/21/71/1088342171.db2.gz AXIBBKRJMBWNQY-SFHVURJKSA-N 2 2 341.459 2.039 10 0 EEAELP Cc1ccc(C[NH2+][C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C2CC2)c(C)n1 ZINC001436786336 1088342188 /nfs/dbraw/zinc/34/21/88/1088342188.db2.gz AXIBBKRJMBWNQY-SFHVURJKSA-N 2 2 341.459 2.039 10 0 EEAELP COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCn3cc[nH+]c3)C2)c1C ZINC001436959897 1088647969 /nfs/dbraw/zinc/64/79/69/1088647969.db2.gz NXLGCZMXQGRJEI-CALCHBBNSA-N 2 2 342.443 2.027 10 0 EEAELP Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)sc1C ZINC001436965994 1088656974 /nfs/dbraw/zinc/65/69/74/1088656974.db2.gz MOSPUFDTSVJIPS-TUKIKUTGSA-N 2 2 347.488 2.345 10 0 EEAELP CCC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1nocc1C ZINC001437763045 1090340220 /nfs/dbraw/zinc/34/02/20/1090340220.db2.gz PIWCKBOYMVSBRZ-UHFFFAOYSA-N 2 2 336.480 2.043 10 0 EEAELP CCC[N@@H+](CCNC(=O)C[NH+]1CCC(C)CC1)Cc1nocc1C ZINC001437763045 1090340223 /nfs/dbraw/zinc/34/02/23/1090340223.db2.gz PIWCKBOYMVSBRZ-UHFFFAOYSA-N 2 2 336.480 2.043 10 0 EEAELP CC(C)CCC[N@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001437786827 1090373307 /nfs/dbraw/zinc/37/33/07/1090373307.db2.gz SDELKCZQDSQEDI-MRXNPFEDSA-N 2 2 332.492 2.462 10 0 EEAELP CC(C)CCC[N@@H+](CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C1CC1 ZINC001437786827 1090373312 /nfs/dbraw/zinc/37/33/12/1090373312.db2.gz SDELKCZQDSQEDI-MRXNPFEDSA-N 2 2 332.492 2.462 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC001437824402 1090415593 /nfs/dbraw/zinc/41/55/93/1090415593.db2.gz WPBZEYZOJZJOHB-UHFFFAOYSA-N 2 2 338.455 2.153 10 0 EEAELP O=C(Cn1cc[nH+]c1)NCC[N@@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC001437824402 1090415596 /nfs/dbraw/zinc/41/55/96/1090415596.db2.gz WPBZEYZOJZJOHB-UHFFFAOYSA-N 2 2 338.455 2.153 10 0 EEAELP COc1cccc(C[NH+]2CC(NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)c1C ZINC001438053585 1090622030 /nfs/dbraw/zinc/62/20/30/1090622030.db2.gz MXHNEPYPZHQQFA-GOSISDBHSA-N 2 2 345.487 2.178 10 0 EEAELP COc1cccc(C[NH+]2CC(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)c1C ZINC001438053585 1090622032 /nfs/dbraw/zinc/62/20/32/1090622032.db2.gz MXHNEPYPZHQQFA-GOSISDBHSA-N 2 2 345.487 2.178 10 0 EEAELP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001438263589 1090745543 /nfs/dbraw/zinc/74/55/43/1090745543.db2.gz HFSBGDYJVQECBM-PBHICJAKSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2nc(C)oc2C)C1 ZINC001438263589 1090745546 /nfs/dbraw/zinc/74/55/46/1090745546.db2.gz HFSBGDYJVQECBM-PBHICJAKSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001438263589 1090745553 /nfs/dbraw/zinc/74/55/53/1090745553.db2.gz HFSBGDYJVQECBM-PBHICJAKSA-N 2 2 348.491 2.056 10 0 EEAELP CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](Cc2nc(C)oc2C)C1 ZINC001438263589 1090745556 /nfs/dbraw/zinc/74/55/56/1090745556.db2.gz HFSBGDYJVQECBM-PBHICJAKSA-N 2 2 348.491 2.056 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)oc1C ZINC001438650789 1091136787 /nfs/dbraw/zinc/13/67/87/1091136787.db2.gz LEVPETWTVZXAJK-CJNGLKHVSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1nc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)oc1C ZINC001438650789 1091136795 /nfs/dbraw/zinc/13/67/95/1091136795.db2.gz LEVPETWTVZXAJK-CJNGLKHVSA-N 2 2 336.480 2.101 10 0 EEAELP Cc1noc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001438694357 1091196683 /nfs/dbraw/zinc/19/66/83/1091196683.db2.gz OLXQMBVDMQXRAS-CHWSQXEVSA-N 2 2 333.436 2.076 10 0 EEAELP O=C(Cn1cc[nH+]c1)N[C@@H](C[NH2+]Cc1ccns1)C1CCCCC1 ZINC001438752876 1091312567 /nfs/dbraw/zinc/31/25/67/1091312567.db2.gz LOECCMFGALGWES-INIZCTEOSA-N 2 2 347.488 2.195 10 0 EEAELP CC(C)[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1nccs1 ZINC001438830292 1091449534 /nfs/dbraw/zinc/44/95/34/1091449534.db2.gz CZBBZHNMMLPATA-UONOGXRCSA-N 2 2 335.477 2.221 10 0 EEAELP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001445754238 1091593191 /nfs/dbraw/zinc/59/31/91/1091593191.db2.gz AEHCYUAGKVJWNX-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001445754238 1091593201 /nfs/dbraw/zinc/59/32/01/1091593201.db2.gz AEHCYUAGKVJWNX-FUHWJXTLSA-N 2 2 340.471 2.391 10 0 EEAELP Cc1nc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)o1 ZINC001439218894 1091862144 /nfs/dbraw/zinc/86/21/44/1091862144.db2.gz DALJXNIQRCUZIH-BBRMVZONSA-N 2 2 347.463 2.370 10 0 EEAELP C[C@@H](C[NH2+]C[C@@H]1CCC(F)(F)C1)NC(=O)CCCn1cc[nH+]c1 ZINC001439287849 1091949085 /nfs/dbraw/zinc/94/90/85/1091949085.db2.gz DEUFHOMIXZULDK-UONOGXRCSA-N 2 2 328.407 2.193 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@@H](C[NH2+]C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC001445996270 1091971474 /nfs/dbraw/zinc/97/14/74/1091971474.db2.gz ZOZGLKLBQMPQOI-JSGCOSHPSA-N 2 2 340.418 2.262 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1cccc(F)c1 ZINC001446061899 1092074283 /nfs/dbraw/zinc/07/42/83/1092074283.db2.gz NJXZQUSDXYACAN-RHSMWYFYSA-N 2 2 330.407 2.282 10 0 EEAELP Cc1c[nH+]cn1CC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1cccc(F)c1 ZINC001446061899 1092074288 /nfs/dbraw/zinc/07/42/88/1092074288.db2.gz NJXZQUSDXYACAN-RHSMWYFYSA-N 2 2 330.407 2.282 10 0 EEAELP C[C@H](C[N@H+](C)Cc1c(F)cccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001439361347 1092078468 /nfs/dbraw/zinc/07/84/68/1092078468.db2.gz GVCYXJXOEODEES-CYBMUJFWSA-N 2 2 339.430 2.243 10 0 EEAELP C[C@H](C[N@@H+](C)Cc1c(F)cccc1F)NC(=O)C1CC[NH+](C)CC1 ZINC001439361347 1092078478 /nfs/dbraw/zinc/07/84/78/1092078478.db2.gz GVCYXJXOEODEES-CYBMUJFWSA-N 2 2 339.430 2.243 10 0 EEAELP Cc1nocc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001439410153 1092176521 /nfs/dbraw/zinc/17/65/21/1092176521.db2.gz QPBQAFODWDPBTN-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP Cc1nocc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001439410153 1092176524 /nfs/dbraw/zinc/17/65/24/1092176524.db2.gz QPBQAFODWDPBTN-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP C[C@@H]([NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1)C1CC1)c1cc(F)ccc1F ZINC001439499464 1092332969 /nfs/dbraw/zinc/33/29/69/1092332969.db2.gz RCKUEVFWEZEJSV-SJKOYZFVSA-N 2 2 348.397 2.407 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276860 1092427864 /nfs/dbraw/zinc/42/78/64/1092427864.db2.gz NBTTUUWNQDYJCO-KGLIPLIRSA-N 2 2 348.491 2.223 10 0 EEAELP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1)c1ncc(C(C)(C)C)o1 ZINC001446276860 1092427866 /nfs/dbraw/zinc/42/78/66/1092427866.db2.gz NBTTUUWNQDYJCO-KGLIPLIRSA-N 2 2 348.491 2.223 10 0 EEAELP O=C(Cc1cn2c([nH+]1)CCCC2)NCC1([NH2+]Cc2ccccc2)CC1 ZINC001439608914 1092514825 /nfs/dbraw/zinc/51/48/25/1092514825.db2.gz VMMRFTXGBIHVKG-UHFFFAOYSA-N 2 2 338.455 2.201 10 0 EEAELP C[C@H](CC(=O)N1CC[C@@](C)(C[NH2+]Cc2cccnc2)C1)n1cc[nH+]c1 ZINC001439888159 1092942847 /nfs/dbraw/zinc/94/28/47/1092942847.db2.gz RYHYHXHTYCRXDT-APWZRJJASA-N 2 2 341.459 2.258 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+]1CC[C@@H](F)C1)c1ccccc1Cl ZINC001440374201 1093541834 /nfs/dbraw/zinc/54/18/34/1093541834.db2.gz KROYEMZQKKOLRC-CJNGLKHVSA-N 2 2 341.858 2.493 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)CC[N@H+]1CC[C@@H](F)C1)c1ccccc1Cl ZINC001440374201 1093541840 /nfs/dbraw/zinc/54/18/40/1093541840.db2.gz KROYEMZQKKOLRC-CJNGLKHVSA-N 2 2 341.858 2.493 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1nccs1 ZINC001440495355 1093734388 /nfs/dbraw/zinc/73/43/88/1093734388.db2.gz OCHLDPOCOALVGH-ILXRZTDVSA-N 2 2 336.505 2.097 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1nccs1 ZINC001440495355 1093734391 /nfs/dbraw/zinc/73/43/91/1093734391.db2.gz OCHLDPOCOALVGH-ILXRZTDVSA-N 2 2 336.505 2.097 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1nccs1 ZINC001440495355 1093734395 /nfs/dbraw/zinc/73/43/95/1093734395.db2.gz OCHLDPOCOALVGH-ILXRZTDVSA-N 2 2 336.505 2.097 10 0 EEAELP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1nccs1 ZINC001440495355 1093734401 /nfs/dbraw/zinc/73/44/01/1093734401.db2.gz OCHLDPOCOALVGH-ILXRZTDVSA-N 2 2 336.505 2.097 10 0 EEAELP Cc1cnc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)o1 ZINC001448779253 1093859399 /nfs/dbraw/zinc/85/93/99/1093859399.db2.gz QPHCHCORTCNNTC-KDOFPFPSSA-N 2 2 344.459 2.222 10 0 EEAELP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC001440620725 1093889212 /nfs/dbraw/zinc/88/92/12/1093889212.db2.gz FONGSESAKMGZMD-IRXDYDNUSA-N 2 2 348.491 2.266 10 0 EEAELP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](Cc2ccon2)CC1(C)C ZINC001440620725 1093889217 /nfs/dbraw/zinc/88/92/17/1093889217.db2.gz FONGSESAKMGZMD-IRXDYDNUSA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CC[N@H+](Cc2ccon2)CC1(C)C ZINC001440620725 1093889221 /nfs/dbraw/zinc/88/92/21/1093889221.db2.gz FONGSESAKMGZMD-IRXDYDNUSA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccon2)CC1(C)C ZINC001440620725 1093889228 /nfs/dbraw/zinc/88/92/28/1093889228.db2.gz FONGSESAKMGZMD-IRXDYDNUSA-N 2 2 348.491 2.266 10 0 EEAELP Cc1cc(C)c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCc2ccnn2C)c(C)[nH+]1 ZINC001440815309 1094067883 /nfs/dbraw/zinc/06/78/83/1094067883.db2.gz RLWMXSBUGMHDOU-HUUCEWRRSA-N 2 2 343.475 2.079 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001440946216 1094198741 /nfs/dbraw/zinc/19/87/41/1094198741.db2.gz UFRFLIABQVGIDQ-WBVHZDCISA-N 2 2 344.503 2.462 10 0 EEAELP C[C@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001440946216 1094198743 /nfs/dbraw/zinc/19/87/43/1094198743.db2.gz UFRFLIABQVGIDQ-WBVHZDCISA-N 2 2 344.503 2.462 10 0 EEAELP Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H](C)n3cc[nH+]c3)C2)s1 ZINC001441427864 1095023384 /nfs/dbraw/zinc/02/33/84/1095023384.db2.gz YWCIHHFBYDITLW-UBHSHLNASA-N 2 2 333.461 2.036 10 0 EEAELP Cc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCc3[nH+]ccn3C)C2)cc1F ZINC001441502162 1095185467 /nfs/dbraw/zinc/18/54/67/1095185467.db2.gz AXWUSCCHOQWFHD-IYBDPMFKSA-N 2 2 344.434 2.237 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N(C)C[C@H](C)[NH2+]CC[C@H]1CCCCO1 ZINC001441540730 1095258164 /nfs/dbraw/zinc/25/81/64/1095258164.db2.gz QJUQVBWXFMJZRA-DOTOQJQBSA-N 2 2 349.475 2.028 10 0 EEAELP Cc1ncoc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC001441543087 1095264210 /nfs/dbraw/zinc/26/42/10/1095264210.db2.gz YJJWTWGNGOTVOI-ZBFHGGJFSA-N 2 2 347.463 2.403 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@H+]1CCc1ccccc1F ZINC001441636099 1095541685 /nfs/dbraw/zinc/54/16/85/1095541685.db2.gz OSEBULGFYVOIJS-QGZVFWFLSA-N 2 2 344.434 2.236 10 0 EEAELP O=C(Cn1cc[nH+]c1)NC[C@H]1CCCC[N@@H+]1CCc1ccccc1F ZINC001441636099 1095541695 /nfs/dbraw/zinc/54/16/95/1095541695.db2.gz OSEBULGFYVOIJS-QGZVFWFLSA-N 2 2 344.434 2.236 10 0 EEAELP Cc1nc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)c2c[nH+]c[nH]2)c(C)s1 ZINC001441649643 1095601436 /nfs/dbraw/zinc/60/14/36/1095601436.db2.gz LRLUHOFLDXWGBH-NSHDSACASA-N 2 2 349.504 2.397 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](Cc2nccs2)C1 ZINC001441670853 1095642675 /nfs/dbraw/zinc/64/26/75/1095642675.db2.gz FNMCKIBPESPXGU-CABCVRRESA-N 2 2 347.488 2.065 10 0 EEAELP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](Cc2nccs2)C1 ZINC001441670853 1095642678 /nfs/dbraw/zinc/64/26/78/1095642678.db2.gz FNMCKIBPESPXGU-CABCVRRESA-N 2 2 347.488 2.065 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](C/C=C/Cl)C[C@H]21)c1ccccc1 ZINC001441735481 1095723299 /nfs/dbraw/zinc/72/32/99/1095723299.db2.gz NFPJWNUJWYVJLR-LKTBCWEFSA-N 2 2 333.863 2.088 10 0 EEAELP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21)c1ccccc1 ZINC001441735481 1095723311 /nfs/dbraw/zinc/72/33/11/1095723311.db2.gz NFPJWNUJWYVJLR-LKTBCWEFSA-N 2 2 333.863 2.088 10 0 EEAELP C[C@H](CNC(=O)[C@@H]1CCn2c[nH+]cc2C1)[NH2+]Cc1ccc(CF)cc1 ZINC001441861658 1095960428 /nfs/dbraw/zinc/96/04/28/1095960428.db2.gz UHSZHLIIZGLBKB-RHSMWYFYSA-N 2 2 344.434 2.210 10 0 EEAELP C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC(C)(C)C1 ZINC001442275540 1096584791 /nfs/dbraw/zinc/58/47/91/1096584791.db2.gz OSBUTLTYLCJKFX-GOEBONIOSA-N 2 2 332.492 2.366 10 0 EEAELP C[C@H](CCNC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(C(C)(C)C)on1 ZINC001442281031 1096592372 /nfs/dbraw/zinc/59/23/72/1096592372.db2.gz KMFHQGRBUIAPHN-CQSZACIVSA-N 2 2 347.463 2.243 10 0 EEAELP Cc1cccn2cc(CC(=O)NCC[C@@H](C)[NH2+]CC[C@H](C)F)[nH+]c12 ZINC001442318456 1096637467 /nfs/dbraw/zinc/63/74/67/1096637467.db2.gz ZLCZXFMMLPFRGY-LSDHHAIUSA-N 2 2 334.439 2.418 10 0 EEAELP CCO[C@H](C[N@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001442423741 1096748730 /nfs/dbraw/zinc/74/87/30/1096748730.db2.gz ALWFGBRJUGXUBG-QGZVFWFLSA-N 2 2 330.432 2.040 10 0 EEAELP CCO[C@H](C[N@@H+](C)CCNC(=O)c1cc2c[nH+]ccc2[nH]1)C1CC1 ZINC001442423741 1096748731 /nfs/dbraw/zinc/74/87/31/1096748731.db2.gz ALWFGBRJUGXUBG-QGZVFWFLSA-N 2 2 330.432 2.040 10 0 EEAELP CC[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1c(C)noc1C ZINC001444010565 1098526507 /nfs/dbraw/zinc/52/65/07/1098526507.db2.gz PSHREVVQJURWKD-IUODEOHRSA-N 2 2 333.436 2.124 10 0 EEAELP CC(C)COCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479956576 1099394616 /nfs/dbraw/zinc/39/46/16/1099394616.db2.gz NDPLTONWXQMZAF-OAHLLOKOSA-N 2 2 330.432 2.040 10 0 EEAELP CC(C)COCC[N@H+]1CC[C@@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001479956576 1099394629 /nfs/dbraw/zinc/39/46/29/1099394629.db2.gz NDPLTONWXQMZAF-OAHLLOKOSA-N 2 2 330.432 2.040 10 0 EEAELP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CC[C@@H]1CCOC1)c1c[nH+]c[nH]1 ZINC001480364647 1100138395 /nfs/dbraw/zinc/13/83/95/1100138395.db2.gz ACBPPUMSZBIDKY-HZPDHXFCSA-N 2 2 348.491 2.085 10 0 EEAELP CC(C)c1cccc(C[NH2+][C@@H](C)CNC(=O)CCn2cc[nH+]c2)n1 ZINC001480513027 1100343888 /nfs/dbraw/zinc/34/38/88/1100343888.db2.gz VVCPZQFEQFYYKN-HNNXBMFYSA-N 2 2 329.448 2.086 10 0 EEAELP C[N@@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229657 1100918681 /nfs/dbraw/zinc/91/86/81/1100918681.db2.gz JOCKJAXYIVLORU-QUCCMNQESA-N 2 2 349.519 2.082 10 0 EEAELP C[N@H+]1CCO[C@@H](C(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001495229657 1100918687 /nfs/dbraw/zinc/91/86/87/1100918687.db2.gz JOCKJAXYIVLORU-QUCCMNQESA-N 2 2 349.519 2.082 10 0 EEAELP CC[C@H](F)C[NH2+]Cc1ccc(CNC(=O)Cc2c[nH+]cn2C)cc1 ZINC001495498684 1101208618 /nfs/dbraw/zinc/20/86/18/1101208618.db2.gz XLEKMFFRMQTXFY-INIZCTEOSA-N 2 2 332.423 2.117 10 0 EEAELP CN(CC[N@H+](C)Cc1ccsc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001496709526 1101313247 /nfs/dbraw/zinc/31/32/47/1101313247.db2.gz IDTLFSDFVXBIIQ-UHFFFAOYSA-N 2 2 346.500 2.414 10 0 EEAELP CN(CC[N@@H+](C)Cc1ccsc1)C(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001496709526 1101313262 /nfs/dbraw/zinc/31/32/62/1101313262.db2.gz IDTLFSDFVXBIIQ-UHFFFAOYSA-N 2 2 346.500 2.414 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N[C@@H](C)CC[NH2+]Cc2ncc(C)s2)c[nH+]1 ZINC001497207604 1102128187 /nfs/dbraw/zinc/12/81/87/1102128187.db2.gz FKMQZVJALDHYNL-LBPRGKRZSA-N 2 2 349.504 2.376 10 0 EEAELP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CC[N@H+](Cc2cnc(C)o2)C1 ZINC001493978764 1103249678 /nfs/dbraw/zinc/24/96/78/1103249678.db2.gz UBERKYPBMVLYIC-MRXNPFEDSA-N 2 2 345.447 2.001 10 0 EEAELP 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10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC1CC2(CCC2)C1 ZINC001507091944 1115103697 /nfs/dbraw/zinc/10/36/97/1115103697.db2.gz LAIBAGJJTNMPBM-NVXWUHKLSA-N 2 2 344.503 2.462 10 0 EEAELP CC(C)(C)CCC[NH2+][C@H](CO)CNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001507201281 1115150891 /nfs/dbraw/zinc/15/08/91/1115150891.db2.gz JIEAPTGOBJHIEI-AWEZNQCLSA-N 2 2 332.448 2.070 10 0 EEAELP CC[C@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@@H+]1CCO[C@H](CC)C1 ZINC001540488970 1124084666 /nfs/dbraw/zinc/08/46/66/1124084666.db2.gz JUGUCJWLJYWYDB-RCCFBDPRSA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@H](C(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@H+]1CCO[C@H](CC)C1 ZINC001540488970 1124084671 /nfs/dbraw/zinc/08/46/71/1124084671.db2.gz JUGUCJWLJYWYDB-RCCFBDPRSA-N 2 2 339.524 2.257 10 0 EEAELP CC[C@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCO[C@H](CC)C1 ZINC001540488970 1124084676 /nfs/dbraw/zinc/08/46/76/1124084676.db2.gz JUGUCJWLJYWYDB-RCCFBDPRSA-N 2 2 339.524 2.257 10 0 EEAELP 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1125436973 /nfs/dbraw/zinc/43/69/73/1125436973.db2.gz FGHQBOUQFZKVHY-BDRYQJQLSA-N 2 2 338.455 2.471 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000050031670 214040022 /nfs/dbraw/zinc/04/00/22/214040022.db2.gz ZUCNFKNWVRVXHD-GOSISDBHSA-N 2 2 338.455 2.428 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000050031670 214040024 /nfs/dbraw/zinc/04/00/24/214040024.db2.gz ZUCNFKNWVRVXHD-GOSISDBHSA-N 2 2 338.455 2.428 10 0 EEAELP C[NH2+]Cc1cccc(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)c1 ZINC000415931510 530007979 /nfs/dbraw/zinc/00/79/79/530007979.db2.gz LSQHCCKMTXORCJ-UHFFFAOYSA-N 2 2 339.443 2.464 10 0 EEAELP C[N@@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000248978967 539683170 /nfs/dbraw/zinc/68/31/70/539683170.db2.gz VAONHBAWNNTILD-NVXWUHKLSA-N 2 2 334.370 2.182 10 0 EEAELP C[N@H+]1CC[C@@H](NC(=O)CCc2c[nH+]c[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000248978967 539683171 /nfs/dbraw/zinc/68/31/71/539683171.db2.gz VAONHBAWNNTILD-NVXWUHKLSA-N 2 2 334.370 2.182 10 0 EEAELP CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000069392316 215398660 /nfs/dbraw/zinc/39/86/60/215398660.db2.gz RAYXMBRRJATYKB-ZWKOTPCHSA-N 2 2 347.528 2.377 10 0 EEAELP CC[N@H+]1CCC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000069392316 215398663 /nfs/dbraw/zinc/39/86/63/215398663.db2.gz RAYXMBRRJATYKB-ZWKOTPCHSA-N 2 2 347.528 2.377 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC000353585296 539893121 /nfs/dbraw/zinc/89/31/21/539893121.db2.gz QYMISKGOUGKEDN-QWHCGFSZSA-N 2 2 335.414 2.107 10 0 EEAELP C[NH+](C)[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccccc1 ZINC000072275983 216101352 /nfs/dbraw/zinc/10/13/52/216101352.db2.gz ARNMYTIRGVSSJQ-IAGOWNOFSA-N 2 2 341.459 2.153 10 0 EEAELP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000193314297 240104137 /nfs/dbraw/zinc/10/41/37/240104137.db2.gz JPMNXQHTAPCCSM-CHWSQXEVSA-N 2 2 325.403 2.173 10 0 EEAELP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000193314297 240104143 /nfs/dbraw/zinc/10/41/43/240104143.db2.gz JPMNXQHTAPCCSM-CHWSQXEVSA-N 2 2 325.403 2.173 10 0 EEAELP Fc1cc(C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)ccc1Br ZINC000422955581 240305914 /nfs/dbraw/zinc/30/59/14/240305914.db2.gz JPWJMYWPCOWTGB-GJZGRUSLSA-N 2 2 343.240 2.445 10 0 EEAELP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000423060436 240346898 /nfs/dbraw/zinc/34/68/98/240346898.db2.gz IGPMLEQGXVJAGS-LEAZDLGRSA-N 3 2 331.504 2.383 10 0 EEAELP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423060436 240346901 /nfs/dbraw/zinc/34/69/01/240346901.db2.gz IGPMLEQGXVJAGS-LEAZDLGRSA-N 3 2 331.504 2.383 10 0 EEAELP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)cc(Cl)c1O ZINC000459571166 245171501 /nfs/dbraw/zinc/17/15/01/245171501.db2.gz OHFFPKIYPZDEGM-CQSZACIVSA-N 2 2 342.867 2.381 10 0 EEAELP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)cc(Cl)c1O ZINC000459571166 245171504 /nfs/dbraw/zinc/17/15/04/245171504.db2.gz OHFFPKIYPZDEGM-CQSZACIVSA-N 2 2 342.867 2.381 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)[nH+]c2c1 ZINC000265090983 247193746 /nfs/dbraw/zinc/19/37/46/247193746.db2.gz PTTZBYPMAZEVCF-ZBFHGGJFSA-N 2 2 327.432 2.021 10 0 EEAELP Cc1ccn2cc(CNC(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)[nH+]c2c1 ZINC000265090983 247193750 /nfs/dbraw/zinc/19/37/50/247193750.db2.gz PTTZBYPMAZEVCF-ZBFHGGJFSA-N 2 2 327.432 2.021 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OCC(=O)N(C)C)CC[N@@H+]1C ZINC000093644520 218238576 /nfs/dbraw/zinc/23/85/76/218238576.db2.gz BDIIJXAXOSBGRX-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@H]1C[C@@H]([NH+](C)Cc2ccccc2OCC(=O)N(C)C)CC[N@H+]1C ZINC000093644520 218238578 /nfs/dbraw/zinc/23/85/78/218238578.db2.gz BDIIJXAXOSBGRX-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCC(=O)N(C)C)CC[NH+]1C ZINC000093644520 218238580 /nfs/dbraw/zinc/23/85/80/218238580.db2.gz BDIIJXAXOSBGRX-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCC(=O)N(C)C)CC[NH+]1C ZINC000093644520 218238582 /nfs/dbraw/zinc/23/85/82/218238582.db2.gz BDIIJXAXOSBGRX-RDJZCZTQSA-N 2 2 333.476 2.068 10 0 EEAELP Brc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000422775884 532972664 /nfs/dbraw/zinc/97/26/64/532972664.db2.gz BQHUUOTXIRLYAX-LSDHHAIUSA-N 2 2 325.250 2.306 10 0 EEAELP OCC[N@@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000449397682 285259757 /nfs/dbraw/zinc/25/97/57/285259757.db2.gz VPEWPVMOEDUJPR-ZDUSSCGKSA-N 2 2 332.366 2.364 10 0 EEAELP OCC[N@H+]1CCCC[C@H]1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000449397682 285259758 /nfs/dbraw/zinc/25/97/58/285259758.db2.gz VPEWPVMOEDUJPR-ZDUSSCGKSA-N 2 2 332.366 2.364 10 0 EEAELP CS[C@H]1CN(Cc2[nH+]ccn2Cc2ccccc2)C[C@H]1[NH+](C)C ZINC000270662671 256158648 /nfs/dbraw/zinc/15/86/48/256158648.db2.gz PFGRIPIQNGGTFI-SJORKVTESA-N 2 2 330.501 2.409 10 0 EEAELP C[NH+](C)CCc1ccc(CNC(=O)c2cc(-n3cc[nH+]c3)ccn2)cc1 ZINC000276314586 256420977 /nfs/dbraw/zinc/42/09/77/256420977.db2.gz XSPVDYWJQWYLGR-UHFFFAOYSA-N 2 2 349.438 2.301 10 0 EEAELP Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000328618694 258036984 /nfs/dbraw/zinc/03/69/84/258036984.db2.gz DXNHPPLNWAZVRA-WMZOPIPTSA-N 2 2 339.443 2.364 10 0 EEAELP Cc1cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc[nH+]1 ZINC000328618694 258036985 /nfs/dbraw/zinc/03/69/85/258036985.db2.gz DXNHPPLNWAZVRA-WMZOPIPTSA-N 2 2 339.443 2.364 10 0 EEAELP O=C(C[N@H+](Cc1ccsc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000065300047 258062956 /nfs/dbraw/zinc/06/29/56/258062956.db2.gz VGFJYHOTNSFHLK-UHFFFAOYSA-N 2 2 333.501 2.456 10 0 EEAELP O=C(C[N@@H+](Cc1ccsc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000065300047 258062958 /nfs/dbraw/zinc/06/29/58/258062958.db2.gz VGFJYHOTNSFHLK-UHFFFAOYSA-N 2 2 333.501 2.456 10 0 EEAELP CC(C)c1noc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000119730027 142374750 /nfs/dbraw/zinc/37/47/50/142374750.db2.gz MUCUSBIMCYPGKH-VPSFDDGASA-N 2 2 347.507 2.497 10 0 EEAELP CC(C)c1noc([C@@H](C)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000119730027 142374752 /nfs/dbraw/zinc/37/47/52/142374752.db2.gz MUCUSBIMCYPGKH-VPSFDDGASA-N 2 2 347.507 2.497 10 0 EEAELP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CC(F)(F)C[NH2+]2)cc1 ZINC000263028844 152360816 /nfs/dbraw/zinc/36/08/16/152360816.db2.gz RQRNBOFVEYANRA-OAHLLOKOSA-N 2 2 325.403 2.142 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000263116863 152378805 /nfs/dbraw/zinc/37/88/05/152378805.db2.gz ARNYVKVKJNDGIA-GDBMZVCRSA-N 2 2 337.414 2.107 10 0 EEAELP C[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)C[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000263116863 152378807 /nfs/dbraw/zinc/37/88/07/152378807.db2.gz ARNYVKVKJNDGIA-GDBMZVCRSA-N 2 2 337.414 2.107 10 0 EEAELP COC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374205874 154004191 /nfs/dbraw/zinc/00/41/91/154004191.db2.gz BHFYCEOLKWFCKX-UHFFFAOYSA-N 2 2 342.399 2.014 10 0 EEAELP C[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249744439 160385053 /nfs/dbraw/zinc/38/50/53/160385053.db2.gz MCQNGYOVRMJHNN-RBSFLKMASA-N 2 2 327.432 2.145 10 0 EEAELP C[NH+]1CCC(CNC(=O)Nc2ccccn2)([NH+]2CCCCC2)CC1 ZINC000075503544 159074589 /nfs/dbraw/zinc/07/45/89/159074589.db2.gz GASAGBJBJOJILE-UHFFFAOYSA-N 2 2 331.464 2.153 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@]2(C)CCCc3ccccc32)CC1 ZINC000177145687 159876721 /nfs/dbraw/zinc/87/67/21/159876721.db2.gz VRNUPJUOKAFJKW-NRFANRHFSA-N 2 2 343.515 2.423 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620290 160184095 /nfs/dbraw/zinc/18/40/95/160184095.db2.gz IAGYEKUDRAATFM-RWMBFGLXSA-N 2 2 339.386 2.108 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193620290 160184096 /nfs/dbraw/zinc/18/40/96/160184096.db2.gz IAGYEKUDRAATFM-RWMBFGLXSA-N 2 2 339.386 2.108 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193620290 160184097 /nfs/dbraw/zinc/18/40/97/160184097.db2.gz IAGYEKUDRAATFM-RWMBFGLXSA-N 2 2 339.386 2.108 10 0 EEAELP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193620290 160184098 /nfs/dbraw/zinc/18/40/98/160184098.db2.gz IAGYEKUDRAATFM-RWMBFGLXSA-N 2 2 339.386 2.108 10 0 EEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000246527540 160282720 /nfs/dbraw/zinc/28/27/20/160282720.db2.gz XQYNAZMMKCIDBJ-SJORKVTESA-N 2 2 341.459 2.145 10 0 EEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000246527540 160282722 /nfs/dbraw/zinc/28/27/22/160282722.db2.gz XQYNAZMMKCIDBJ-SJORKVTESA-N 2 2 341.459 2.145 10 0 EEAELP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1cccs1 ZINC000246869594 160298812 /nfs/dbraw/zinc/29/88/12/160298812.db2.gz PZHISBMNWDSFNS-WMLDXEAASA-N 2 2 333.501 2.313 10 0 EEAELP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1cccs1 ZINC000246869594 160298813 /nfs/dbraw/zinc/29/88/13/160298813.db2.gz PZHISBMNWDSFNS-WMLDXEAASA-N 2 2 333.501 2.313 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1cccs1 ZINC000246869594 160298814 /nfs/dbraw/zinc/29/88/14/160298814.db2.gz PZHISBMNWDSFNS-WMLDXEAASA-N 2 2 333.501 2.313 10 0 EEAELP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1cccs1 ZINC000246869594 160298815 /nfs/dbraw/zinc/29/88/15/160298815.db2.gz PZHISBMNWDSFNS-WMLDXEAASA-N 2 2 333.501 2.313 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1F ZINC000247076796 160308924 /nfs/dbraw/zinc/30/89/24/160308924.db2.gz OXTBVPOWICQUGA-JKSUJKDBSA-N 2 2 333.407 2.235 10 0 EEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccccc1F ZINC000247076796 160308926 /nfs/dbraw/zinc/30/89/26/160308926.db2.gz OXTBVPOWICQUGA-JKSUJKDBSA-N 2 2 333.407 2.235 10 0 EEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000247477844 160325575 /nfs/dbraw/zinc/32/55/75/160325575.db2.gz VWBJGBDAVRRCHZ-NVXWUHKLSA-N 2 2 341.459 2.400 10 0 EEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000247477844 160325577 /nfs/dbraw/zinc/32/55/77/160325577.db2.gz VWBJGBDAVRRCHZ-NVXWUHKLSA-N 2 2 341.459 2.400 10 0 EEAELP NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341881635 161020988 /nfs/dbraw/zinc/02/09/88/161020988.db2.gz JCQJJUYOEDJAMW-MOPGFXCFSA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@H]1CCCC[N@H+]1C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000341881635 161020989 /nfs/dbraw/zinc/02/09/89/161020989.db2.gz JCQJJUYOEDJAMW-MOPGFXCFSA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@H]1CCCC[NH+]1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000341881635 161020990 /nfs/dbraw/zinc/02/09/90/161020990.db2.gz JCQJJUYOEDJAMW-MOPGFXCFSA-N 2 2 345.487 2.007 10 0 EEAELP NC(=O)C[C@H]1CCCC[NH+]1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000341881635 161020991 /nfs/dbraw/zinc/02/09/91/161020991.db2.gz JCQJJUYOEDJAMW-MOPGFXCFSA-N 2 2 345.487 2.007 10 0 EEAELP COc1cc(C)nc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000342430183 161065043 /nfs/dbraw/zinc/06/50/43/161065043.db2.gz PUVVCLZSCOYBBS-UHFFFAOYSA-N 2 2 344.459 2.414 10 0 EEAELP COCC[N@@H+]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000344132061 161200914 /nfs/dbraw/zinc/20/09/14/161200914.db2.gz OIKBZXDGHHBMDZ-MRXNPFEDSA-N 2 2 339.867 2.369 10 0 EEAELP COCC[N@H+]1CC[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000344132061 161200915 /nfs/dbraw/zinc/20/09/15/161200915.db2.gz OIKBZXDGHHBMDZ-MRXNPFEDSA-N 2 2 339.867 2.369 10 0 EEAELP CSc1nnc(CCC[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)n1CC(C)C ZINC000344396320 161223411 /nfs/dbraw/zinc/22/34/11/161223411.db2.gz WYIUKTKKFKTMSD-UONOGXRCSA-N 2 2 325.526 2.128 10 0 EEAELP CSc1nnc(CCC[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)n1CC(C)C ZINC000344396320 161223412 /nfs/dbraw/zinc/22/34/12/161223412.db2.gz WYIUKTKKFKTMSD-UONOGXRCSA-N 2 2 325.526 2.128 10 0 EEAELP CCC[N@H+](CC)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000346343255 161364772 /nfs/dbraw/zinc/36/47/72/161364772.db2.gz GSMJRZJNUYWTJW-UHFFFAOYSA-N 2 2 347.507 2.289 10 0 EEAELP CCC[N@@H+](CC)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000346343255 161364773 /nfs/dbraw/zinc/36/47/73/161364773.db2.gz GSMJRZJNUYWTJW-UHFFFAOYSA-N 2 2 347.507 2.289 10 0 EEAELP C[NH+](C)CC1CCC(NC(=O)NCCc2cn3ccccc3[nH+]2)CC1 ZINC000137613472 292461554 /nfs/dbraw/zinc/46/15/54/292461554.db2.gz PTDFSJQHLJGWQK-UHFFFAOYSA-N 2 2 343.475 2.296 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2[nH]ccc2s1 ZINC000356119029 163339519 /nfs/dbraw/zinc/33/95/19/163339519.db2.gz ZTKYQRPZARAIDF-UHFFFAOYSA-N 2 2 334.489 2.327 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2[nH]ccc2s1 ZINC000356119029 163339521 /nfs/dbraw/zinc/33/95/21/163339521.db2.gz ZTKYQRPZARAIDF-UHFFFAOYSA-N 2 2 334.489 2.327 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1 ZINC000368105634 166051408 /nfs/dbraw/zinc/05/14/08/166051408.db2.gz UVXQOFYCHCFMLA-GXTWGEPZSA-N 2 2 328.416 2.283 10 0 EEAELP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1 ZINC000368105634 166051410 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0 EEAELP Cn1c[nH+]cc1C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275769663 269140637 /nfs/dbraw/zinc/14/06/37/269140637.db2.gz RDYMAWBFTJZHCC-OAHLLOKOSA-N 3 2 331.489 2.363 10 0 EEAELP COc1cccc2c(N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)cc(C)[nH+]c12 ZINC000419007101 274150628 /nfs/dbraw/zinc/15/06/28/274150628.db2.gz RGYVWSLVIUMARN-GJZGRUSLSA-N 2 2 329.444 2.443 10 0 EEAELP COc1cccc2c(N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)cc(C)[nH+]c12 ZINC000419007101 274150630 /nfs/dbraw/zinc/15/06/30/274150630.db2.gz RGYVWSLVIUMARN-GJZGRUSLSA-N 2 2 329.444 2.443 10 0 EEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246467204 275005345 /nfs/dbraw/zinc/00/53/45/275005345.db2.gz PRUJCHXJEAUQOP-USXIJHARSA-N 2 2 328.460 2.236 10 0 EEAELP O=C([C@@H]1CCCn2cc[nH+]c21)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246467204 275005346 /nfs/dbraw/zinc/00/53/46/275005346.db2.gz PRUJCHXJEAUQOP-USXIJHARSA-N 2 2 328.460 2.236 10 0 EEAELP CCCc1ccc([C@@H](C)[N@H+](CCc2c[nH+]cn2C)CC(N)=O)cc1 ZINC000459363075 276295671 /nfs/dbraw/zinc/29/56/71/276295671.db2.gz XZJRCZDHFLTJLJ-OAHLLOKOSA-N 2 2 328.460 2.464 10 0 EEAELP CCCc1ccc([C@@H](C)[N@@H+](CCc2c[nH+]cn2C)CC(N)=O)cc1 ZINC000459363075 276295672 /nfs/dbraw/zinc/29/56/72/276295672.db2.gz XZJRCZDHFLTJLJ-OAHLLOKOSA-N 2 2 328.460 2.464 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC4CCC3CC4)CC2)CC1 ZINC000426312758 277027230 /nfs/dbraw/zinc/02/72/30/277027230.db2.gz KJRRDHJLKGBCFE-LADRWXRNSA-N 2 2 348.535 2.423 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000245855680 278241835 /nfs/dbraw/zinc/24/18/35/278241835.db2.gz GZIQEMGHWJVIFE-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000245855680 278241837 /nfs/dbraw/zinc/24/18/37/278241837.db2.gz GZIQEMGHWJVIFE-RDJZCZTQSA-N 2 2 326.444 2.082 10 0 EEAELP C[C@H](C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1C[NH2+]C1 ZINC000262422572 298196121 /nfs/dbraw/zinc/19/61/21/298196121.db2.gz RXFVFJZVBOYETH-KFWWJZLASA-N 2 2 331.460 2.090 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000349420304 312303804 /nfs/dbraw/zinc/30/38/04/312303804.db2.gz RGPICJRVGZDLEM-YJBOKZPZSA-N 2 2 340.475 2.083 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1nnnn1CC1CC1 ZINC000349420304 312303806 /nfs/dbraw/zinc/30/38/06/312303806.db2.gz RGPICJRVGZDLEM-YJBOKZPZSA-N 2 2 340.475 2.083 10 0 EEAELP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000416935857 313366082 /nfs/dbraw/zinc/36/60/82/313366082.db2.gz GZQJVLGNTVLPMK-FZMZJTMJSA-N 2 2 335.839 2.304 10 0 EEAELP C[C@H](CC[NH3+])NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1 ZINC000418529634 313838179 /nfs/dbraw/zinc/83/81/79/313838179.db2.gz QDLKRRIHFIRPIB-KGLIPLIRSA-N 2 2 338.883 2.466 10 0 EEAELP CN(C)c1ncc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1C ZINC000425383990 314382858 /nfs/dbraw/zinc/38/28/58/314382858.db2.gz PYXXXZDJDJYOGU-HNNXBMFYSA-N 2 2 342.491 2.399 10 0 EEAELP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCCO1 ZINC000527758080 317257815 /nfs/dbraw/zinc/25/78/15/317257815.db2.gz SXMHIKYWAJYHPE-ZWKOTPCHSA-N 2 2 338.879 2.434 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000541535296 318102170 /nfs/dbraw/zinc/10/21/70/318102170.db2.gz VRFJQUFWGUGARL-KRWDZBQOSA-N 2 2 328.416 2.492 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000541535296 318102172 /nfs/dbraw/zinc/10/21/72/318102172.db2.gz VRFJQUFWGUGARL-KRWDZBQOSA-N 2 2 328.416 2.492 10 0 EEAELP C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1n1cc[nH+]c1 ZINC000543712799 318167291 /nfs/dbraw/zinc/16/72/91/318167291.db2.gz JSJYVAQSOLQKJI-WBVHZDCISA-N 2 2 327.432 2.214 10 0 EEAELP CCC(=O)N1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000544352220 318185721 /nfs/dbraw/zinc/18/57/21/318185721.db2.gz YTZMPBTZEHQEFD-UHFFFAOYSA-N 2 2 327.432 2.020 10 0 EEAELP CCC(=O)N1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000544352220 318185724 /nfs/dbraw/zinc/18/57/24/318185724.db2.gz YTZMPBTZEHQEFD-UHFFFAOYSA-N 2 2 327.432 2.020 10 0 EEAELP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000548096879 318354563 /nfs/dbraw/zinc/35/45/63/318354563.db2.gz RTQONTNOQVPDHG-CALCHBBNSA-N 2 2 345.487 2.212 10 0 EEAELP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000548096879 318354564 /nfs/dbraw/zinc/35/45/64/318354564.db2.gz RTQONTNOQVPDHG-CALCHBBNSA-N 2 2 345.487 2.212 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000548096879 318354565 /nfs/dbraw/zinc/35/45/65/318354565.db2.gz RTQONTNOQVPDHG-CALCHBBNSA-N 2 2 345.487 2.212 10 0 EEAELP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3[C@H](C)C[C@@H]3C)CC2)cc1 ZINC000548096879 318354566 /nfs/dbraw/zinc/35/45/66/318354566.db2.gz RTQONTNOQVPDHG-CALCHBBNSA-N 2 2 345.487 2.212 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000565346956 319174108 /nfs/dbraw/zinc/17/41/08/319174108.db2.gz DNCNVWDBLWZHCA-INIZCTEOSA-N 2 2 333.480 2.499 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000565346956 319174109 /nfs/dbraw/zinc/17/41/09/319174109.db2.gz DNCNVWDBLWZHCA-INIZCTEOSA-N 2 2 333.480 2.499 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)COc1ccc2ccccc2c1 ZINC000566129365 319248920 /nfs/dbraw/zinc/24/89/20/319248920.db2.gz CMSQWHDECJSMIX-IAGOWNOFSA-N 2 2 337.423 2.450 10 0 EEAELP O[C@H](C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)COc1ccc2ccccc2c1 ZINC000566129365 319248921 /nfs/dbraw/zinc/24/89/21/319248921.db2.gz CMSQWHDECJSMIX-IAGOWNOFSA-N 2 2 337.423 2.450 10 0 EEAELP COc1ccc([C@H]([NH2+]C2CCC(C(N)=O)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000573952412 319981854 /nfs/dbraw/zinc/98/18/54/319981854.db2.gz DDZOXCAKQJTNLW-RLNQZENFSA-N 2 2 331.460 2.122 10 0 EEAELP Cc1cccc(C[NH2+][C@H]2CCCN(Cc3[nH+]ccn3C)C2=O)c1F ZINC000576430845 320170791 /nfs/dbraw/zinc/17/07/91/320170791.db2.gz VYUWSNGJTJBBJL-HNNXBMFYSA-N 2 2 330.407 2.148 10 0 EEAELP Cn1c[nH+]c(CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000577358964 320250985 /nfs/dbraw/zinc/25/09/85/320250985.db2.gz QSWGSUDCKMPDOQ-KRWDZBQOSA-N 2 2 347.507 2.260 10 0 EEAELP Cc1cc(N2CCN(C(=O)C[N@H+](C)C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000577846665 320279506 /nfs/dbraw/zinc/27/95/06/320279506.db2.gz RJQHDHXPNXCBKG-UHFFFAOYSA-N 2 2 347.507 2.287 10 0 EEAELP Cc1cc(N2CCN(C(=O)C[N@@H+](C)C(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000577846665 320279507 /nfs/dbraw/zinc/27/95/07/320279507.db2.gz RJQHDHXPNXCBKG-UHFFFAOYSA-N 2 2 347.507 2.287 10 0 EEAELP COC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000183000078 323394794 /nfs/dbraw/zinc/39/47/94/323394794.db2.gz KDVQIWIHZARHKQ-SUMWQHHRSA-N 2 2 328.403 2.210 10 0 EEAELP C[NH+](C)C1CC[NH+](CCNc2nc(C3CC3)nc3[nH]ccc32)CC1 ZINC000631146383 451608645 /nfs/dbraw/zinc/60/86/45/451608645.db2.gz DGGBXPJDBUTHRB-UHFFFAOYSA-N 2 2 328.464 2.273 10 0 EEAELP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000358283641 465037475 /nfs/dbraw/zinc/03/74/75/465037475.db2.gz GMZPGQQVUNFSHP-CRAIPNDOSA-N 2 2 336.911 2.002 10 0 EEAELP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCN1CCN(c2cccc(Cl)c2)CC1 ZINC000358283641 465037478 /nfs/dbraw/zinc/03/74/78/465037478.db2.gz GMZPGQQVUNFSHP-CRAIPNDOSA-N 2 2 336.911 2.002 10 0 EEAELP O[C@@H]1CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337266844 465276360 /nfs/dbraw/zinc/27/63/60/465276360.db2.gz VUPPUVRUHFEFSA-IPMKNSEASA-N 2 2 327.428 2.234 10 0 EEAELP O[C@@H]1CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000337266844 465276363 /nfs/dbraw/zinc/27/63/63/465276363.db2.gz VUPPUVRUHFEFSA-IPMKNSEASA-N 2 2 327.428 2.234 10 0 EEAELP COC(=O)[C@H](CC(C)C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000351718864 465315041 /nfs/dbraw/zinc/31/50/41/465315041.db2.gz KGHXKFIIOKIVOB-SFHVURJKSA-N 2 2 339.524 2.065 10 0 EEAELP Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3c[nH+]ccc3C)CC2)cc1 ZINC000534798107 468276798 /nfs/dbraw/zinc/27/67/98/468276798.db2.gz DZRVSTJVQRGPNY-SFHVURJKSA-N 2 2 341.455 2.260 10 0 EEAELP C[C@@H]1CCC[C@H]1NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074125259 462558537 /nfs/dbraw/zinc/55/85/37/462558537.db2.gz PHSHBRILLQGGSN-IAGOWNOFSA-N 2 2 336.524 2.425 10 0 EEAELP CCO[C@@H](C)C(=O)N[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000065622138 462812743 /nfs/dbraw/zinc/81/27/43/462812743.db2.gz WUNCLVZRPLKYAW-LPHOPBHVSA-N 2 2 347.503 2.295 10 0 EEAELP CCO[C@@H](C)C(=O)N[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000065622138 462812747 /nfs/dbraw/zinc/81/27/47/462812747.db2.gz WUNCLVZRPLKYAW-LPHOPBHVSA-N 2 2 347.503 2.295 10 0 EEAELP CN(C)c1[nH+]cccc1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000047746193 462820200 /nfs/dbraw/zinc/82/02/00/462820200.db2.gz CYCURQKATYXPSG-UHFFFAOYSA-N 2 2 333.480 2.211 10 0 EEAELP Nc1nc(-n2cccn2)cc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)[nH+]1 ZINC000091482422 462883865 /nfs/dbraw/zinc/88/38/65/462883865.db2.gz IWMYXSDKPWLOPJ-OAHLLOKOSA-N 2 2 341.463 2.089 10 0 EEAELP CCC[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)[NH+](C)C ZINC000136046363 463215458 /nfs/dbraw/zinc/21/54/58/463215458.db2.gz MPODFFIXCNCXSR-BFYDXBDKSA-N 2 2 348.491 2.042 10 0 EEAELP Cc1cnn(C[C@H]2C[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000069451772 463249001 /nfs/dbraw/zinc/24/90/01/463249001.db2.gz FRCMBRYWUVEEGY-LJQANCHMSA-N 2 2 337.427 2.278 10 0 EEAELP Cc1cnn(C[C@H]2C[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CCO2)c1 ZINC000069451772 463249004 /nfs/dbraw/zinc/24/90/04/463249004.db2.gz FRCMBRYWUVEEGY-LJQANCHMSA-N 2 2 337.427 2.278 10 0 EEAELP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123754583 463366475 /nfs/dbraw/zinc/36/64/75/463366475.db2.gz GJEYLTGNCSUQNF-INIZCTEOSA-N 2 2 326.444 2.234 10 0 EEAELP C[N@H+](CC(=O)Nc1cccc(F)c1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000071912024 463470073 /nfs/dbraw/zinc/47/00/73/463470073.db2.gz FKFUQKHTJWVYSA-OAHLLOKOSA-N 2 2 349.450 2.197 10 0 EEAELP C[N@@H+](CC(=O)Nc1cccc(F)c1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000071912024 463470078 /nfs/dbraw/zinc/47/00/78/463470078.db2.gz FKFUQKHTJWVYSA-OAHLLOKOSA-N 2 2 349.450 2.197 10 0 EEAELP C[N@H+](C[C@](C)(O)c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863602 463479921 /nfs/dbraw/zinc/47/99/21/463479921.db2.gz IOKZQMYHTQFCHR-FQEVSTJZSA-N 2 2 342.487 2.187 10 0 EEAELP C[N@@H+](C[C@](C)(O)c1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863602 463479927 /nfs/dbraw/zinc/47/99/27/463479927.db2.gz IOKZQMYHTQFCHR-FQEVSTJZSA-N 2 2 342.487 2.187 10 0 EEAELP COCCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000151275652 463505482 /nfs/dbraw/zinc/50/54/82/463505482.db2.gz RPKKPEUHYXQBAK-FUHWJXTLSA-N 2 2 336.476 2.209 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000151276334 463505676 /nfs/dbraw/zinc/50/56/76/463505676.db2.gz ATEGVCAGQYZPAF-IAGOWNOFSA-N 2 2 334.460 2.345 10 0 EEAELP Cc1cc2n(n1)C[C@@H](C[NH2+]Cc1cccc(Cn3cc[nH+]c3)c1)CN2 ZINC000058296074 463572032 /nfs/dbraw/zinc/57/20/32/463572032.db2.gz ZBVFFTOAZLHIJR-SFHVURJKSA-N 2 2 336.443 2.268 10 0 EEAELP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CCC[N@H+](Cc3ccccc3)C1)CN2 ZINC000058325201 463577297 /nfs/dbraw/zinc/57/72/97/463577297.db2.gz KTOIJKKDXJUIJQ-MSOLQXFVSA-N 2 2 325.460 2.179 10 0 EEAELP c1cc2n(n1)C[C@H](C[NH2+][C@H]1CCC[N@@H+](Cc3ccccc3)C1)CN2 ZINC000058325201 463577302 /nfs/dbraw/zinc/57/73/02/463577302.db2.gz KTOIJKKDXJUIJQ-MSOLQXFVSA-N 2 2 325.460 2.179 10 0 EEAELP O=C(NCc1cn2ccccc2[nH+]1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107826972 463583957 /nfs/dbraw/zinc/58/39/57/463583957.db2.gz RYJDBOADNPMVHP-QGZVFWFLSA-N 2 2 341.459 2.494 10 0 EEAELP CC(C)(CNC(=O)C[NH+]1CC(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000553380066 468363606 /nfs/dbraw/zinc/36/36/06/468363606.db2.gz GZJUTUJVGCMYDQ-UHFFFAOYSA-N 2 2 329.488 2.281 10 0 EEAELP CC(C)(CNC(=O)C[NH+]1CC(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000553380066 468363611 /nfs/dbraw/zinc/36/36/11/468363611.db2.gz GZJUTUJVGCMYDQ-UHFFFAOYSA-N 2 2 329.488 2.281 10 0 EEAELP C[C@H]1CCN(C(=O)NCCCC[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000152248548 463666439 /nfs/dbraw/zinc/66/64/39/463666439.db2.gz NWQGFINCRVZKQX-DLBZAZTESA-N 2 2 333.480 2.352 10 0 EEAELP COc1ccc(OC)c(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000112200880 463692819 /nfs/dbraw/zinc/69/28/19/463692819.db2.gz DGHNEKRCBXSMKI-MRXNPFEDSA-N 2 2 334.460 2.248 10 0 EEAELP COc1ccc(OC)c(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000112200880 463692821 /nfs/dbraw/zinc/69/28/21/463692821.db2.gz DGHNEKRCBXSMKI-MRXNPFEDSA-N 2 2 334.460 2.248 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc(CC(=O)NC)n2)C1 ZINC000177599925 463745984 /nfs/dbraw/zinc/74/59/84/463745984.db2.gz HEQKJTMHVRSOAT-AWEZNQCLSA-N 2 2 347.488 2.028 10 0 EEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc(CC(=O)NC)n2)C1 ZINC000177599925 463745987 /nfs/dbraw/zinc/74/59/87/463745987.db2.gz HEQKJTMHVRSOAT-AWEZNQCLSA-N 2 2 347.488 2.028 10 0 EEAELP C[C@H]1C[C@@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC[NH2+]1 ZINC000261860535 463880708 /nfs/dbraw/zinc/88/07/08/463880708.db2.gz YILNZBDVTGDTES-YOEHRIQHSA-N 2 2 342.443 2.424 10 0 EEAELP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CN1Cc1ccccc1 ZINC000261964518 463911916 /nfs/dbraw/zinc/91/19/16/463911916.db2.gz PYPYOMWCBKELFW-PPQDBTBKSA-N 2 2 343.515 2.396 10 0 EEAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314069 463999839 /nfs/dbraw/zinc/99/98/39/463999839.db2.gz ZJYUAXCPMWWXCA-OQIJWPOYSA-N 2 2 329.488 2.356 10 0 EEAELP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000262314069 463999843 /nfs/dbraw/zinc/99/98/43/463999843.db2.gz ZJYUAXCPMWWXCA-OQIJWPOYSA-N 2 2 329.488 2.356 10 0 EEAELP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC000269503363 464003613 /nfs/dbraw/zinc/00/36/13/464003613.db2.gz FNHHTPRSNDPUAE-HOCLYGCPSA-N 2 2 333.480 2.019 10 0 EEAELP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(N(C)C)[nH+]c2)[C@@H](C)C1 ZINC000269503363 464003615 /nfs/dbraw/zinc/00/36/15/464003615.db2.gz FNHHTPRSNDPUAE-HOCLYGCPSA-N 2 2 333.480 2.019 10 0 EEAELP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262355993 464009630 /nfs/dbraw/zinc/00/96/30/464009630.db2.gz HKWRWGRLMCNVNI-IPELMVKDSA-N 2 2 338.455 2.468 10 0 EEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000263312051 464083601 /nfs/dbraw/zinc/08/36/01/464083601.db2.gz YVYPXTOQUYSAKG-GJZGRUSLSA-N 2 2 329.435 2.098 10 0 EEAELP Cn1cc[nH+]c1CC1CC[NH+](Cc2ncn(-c3ccccc3)n2)CC1 ZINC000181563751 464506450 /nfs/dbraw/zinc/50/64/50/464506450.db2.gz MDGDLAYHQBBXPE-UHFFFAOYSA-N 2 2 336.443 2.456 10 0 EEAELP CC[NH+](CC)CCC[C@@H](C)Nc1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000245686562 464506769 /nfs/dbraw/zinc/50/67/69/464506769.db2.gz NFVUQYGJCQLRIB-CVEARBPZSA-N 2 2 335.496 2.360 10 0 EEAELP CC[NH+](CC)CCC[C@@H](C)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245686562 464506777 /nfs/dbraw/zinc/50/67/77/464506777.db2.gz NFVUQYGJCQLRIB-CVEARBPZSA-N 2 2 335.496 2.360 10 0 EEAELP CC(C)Cn1cc[nH+]c1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175231363 464509484 /nfs/dbraw/zinc/50/94/84/464509484.db2.gz UVDPTWVHHHNSBU-UHFFFAOYSA-N 2 2 333.480 2.213 10 0 EEAELP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@H]1Cn1cccn1 ZINC000247975123 464719975 /nfs/dbraw/zinc/71/99/75/464719975.db2.gz IIMHUQDZXUDPNC-PMACEKPBSA-N 2 2 342.487 2.231 10 0 EEAELP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC[C@H]1Cn1cccn1 ZINC000247975123 464719979 /nfs/dbraw/zinc/71/99/79/464719979.db2.gz IIMHUQDZXUDPNC-PMACEKPBSA-N 2 2 342.487 2.231 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000247975123 464719984 /nfs/dbraw/zinc/71/99/84/464719984.db2.gz IIMHUQDZXUDPNC-PMACEKPBSA-N 2 2 342.487 2.231 10 0 EEAELP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000247975123 464719989 /nfs/dbraw/zinc/71/99/89/464719989.db2.gz IIMHUQDZXUDPNC-PMACEKPBSA-N 2 2 342.487 2.231 10 0 EEAELP Cc1ccc(O)c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)n1 ZINC000275885964 464791671 /nfs/dbraw/zinc/79/16/71/464791671.db2.gz ZDGROURTJGOZMD-KRWDZBQOSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1ccc(O)c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)n1 ZINC000275885964 464791676 /nfs/dbraw/zinc/79/16/76/464791676.db2.gz ZDGROURTJGOZMD-KRWDZBQOSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1ccc(O)c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000275885964 464791681 /nfs/dbraw/zinc/79/16/81/464791681.db2.gz ZDGROURTJGOZMD-KRWDZBQOSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)n1 ZINC000275885964 464791687 /nfs/dbraw/zinc/79/16/87/464791687.db2.gz ZDGROURTJGOZMD-KRWDZBQOSA-N 2 2 326.444 2.445 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3C[N@H+](C(C)C)C[C@@H]3C)cn21 ZINC000176587879 464806616 /nfs/dbraw/zinc/80/66/16/464806616.db2.gz IGUFJIYCEOVSNO-BBRMVZONSA-N 2 2 329.448 2.171 10 0 EEAELP Cc1cccc2[nH+]c(CNC(=O)N[C@H]3C[N@@H+](C(C)C)C[C@@H]3C)cn21 ZINC000176587879 464806624 /nfs/dbraw/zinc/80/66/24/464806624.db2.gz IGUFJIYCEOVSNO-BBRMVZONSA-N 2 2 329.448 2.171 10 0 EEAELP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282522133 464850895 /nfs/dbraw/zinc/85/08/95/464850895.db2.gz BGOYIUFLXJKUNV-HNNXBMFYSA-N 2 2 341.459 2.292 10 0 EEAELP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000249845575 464920223 /nfs/dbraw/zinc/92/02/23/464920223.db2.gz OKLSYWUTEFAGIT-RDJZCZTQSA-N 2 2 343.427 2.488 10 0 EEAELP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000249845575 464920226 /nfs/dbraw/zinc/92/02/26/464920226.db2.gz OKLSYWUTEFAGIT-RDJZCZTQSA-N 2 2 343.427 2.488 10 0 EEAELP C[C@@H](C[NH2+]Cc1cnc(-c2ccncc2)s1)C[NH+]1CCOCC1 ZINC000344513129 465629811 /nfs/dbraw/zinc/62/98/11/465629811.db2.gz BBJIUFQNKDGMLK-AWEZNQCLSA-N 2 2 332.473 2.263 10 0 EEAELP CN(C)c1ccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000348966608 465895819 /nfs/dbraw/zinc/89/58/19/465895819.db2.gz LDXWQTVUWLJNIP-UHFFFAOYSA-N 2 2 338.455 2.212 10 0 EEAELP CN(C)c1ccc(CNC(=O)CC[N@H+]2CCc3ccccc3C2)c[nH+]1 ZINC000348966608 465895829 /nfs/dbraw/zinc/89/58/29/465895829.db2.gz LDXWQTVUWLJNIP-UHFFFAOYSA-N 2 2 338.455 2.212 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000346189144 465974071 /nfs/dbraw/zinc/97/40/71/465974071.db2.gz CMEOUNCLORVVAP-KRWDZBQOSA-N 3 2 325.460 2.493 10 0 EEAELP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000346189144 465974081 /nfs/dbraw/zinc/97/40/81/465974081.db2.gz CMEOUNCLORVVAP-KRWDZBQOSA-N 3 2 325.460 2.493 10 0 EEAELP C[NH+](C)[C@@H](CNC(=O)Cn1cc[nH+]c1)c1cccc(C(F)(F)F)c1 ZINC000555238654 468465757 /nfs/dbraw/zinc/46/57/57/468465757.db2.gz GQCSZPSLGVFVDV-AWEZNQCLSA-N 2 2 340.349 2.321 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361639982 466170780 /nfs/dbraw/zinc/17/07/80/466170780.db2.gz RHTYLQSBAIMSCS-OXJNMPFZSA-N 2 2 347.478 2.342 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000361639982 466170785 /nfs/dbraw/zinc/17/07/85/466170785.db2.gz RHTYLQSBAIMSCS-OXJNMPFZSA-N 2 2 347.478 2.342 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)/C=C/c3ccnc(Cl)c3)C2)CC1 ZINC000372343241 466317091 /nfs/dbraw/zinc/31/70/91/466317091.db2.gz BTISUALGNGGNFB-XYBNCVKDSA-N 2 2 348.878 2.033 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)/C=C/c3ccnc(Cl)c3)C2)CC1 ZINC000372343241 466317096 /nfs/dbraw/zinc/31/70/96/466317096.db2.gz BTISUALGNGGNFB-XYBNCVKDSA-N 2 2 348.878 2.033 10 0 EEAELP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000358008093 466382608 /nfs/dbraw/zinc/38/26/08/466382608.db2.gz AWIOPQLWVJBRFX-KBXCAEBGSA-N 2 2 327.428 2.249 10 0 EEAELP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000358008093 466382615 /nfs/dbraw/zinc/38/26/15/466382615.db2.gz AWIOPQLWVJBRFX-KBXCAEBGSA-N 2 2 327.428 2.249 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000310828143 466518617 /nfs/dbraw/zinc/51/86/17/466518617.db2.gz YHMNLSUBDPJQOW-IMFGXOCKSA-N 2 2 344.455 2.410 10 0 EEAELP C[C@@H]1[C@H]([NH2+]C[C@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000310828143 466518620 /nfs/dbraw/zinc/51/86/20/466518620.db2.gz YHMNLSUBDPJQOW-IMFGXOCKSA-N 2 2 344.455 2.410 10 0 EEAELP Cc1cn2c([nH+]1)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)CCC2 ZINC000332675373 466550795 /nfs/dbraw/zinc/55/07/95/466550795.db2.gz BETZYCRHSDRDMX-HZPDHXFCSA-N 2 2 342.447 2.140 10 0 EEAELP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H]1c1ccccc1 ZINC000368066506 466575090 /nfs/dbraw/zinc/57/50/90/466575090.db2.gz XWXZOJGAKXYXBD-ZIAGYGMSSA-N 2 2 329.366 2.090 10 0 EEAELP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)C(F)(F)F)[C@H]1c1ccccc1 ZINC000368066506 466575098 /nfs/dbraw/zinc/57/50/98/466575098.db2.gz XWXZOJGAKXYXBD-ZIAGYGMSSA-N 2 2 329.366 2.090 10 0 EEAELP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000341095286 466580755 /nfs/dbraw/zinc/58/07/55/466580755.db2.gz HZKFGLNZRMZBGM-HZPDHXFCSA-N 2 2 347.507 2.324 10 0 EEAELP C[NH+]1CCC(CNC(=O)NC[C@@H]2CC2(C)C)([NH+]2CCCCC2)CC1 ZINC000341123047 466600732 /nfs/dbraw/zinc/60/07/32/466600732.db2.gz JRIYSFFEULZACM-INIZCTEOSA-N 2 2 336.524 2.282 10 0 EEAELP Cc1cccn2c(C[NH2+]C[C@@H]3CCC4(CCOCC4)[C@H]3O)c[nH+]c12 ZINC000374701227 466719138 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EEAELP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417939380 466994967 /nfs/dbraw/zinc/99/49/67/466994967.db2.gz KCJZALWBPHSEAZ-VCTAVGKDSA-N 2 2 342.846 2.118 10 0 EEAELP C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417939380 466994971 /nfs/dbraw/zinc/99/49/71/466994971.db2.gz KCJZALWBPHSEAZ-VCTAVGKDSA-N 2 2 342.846 2.118 10 0 EEAELP CC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418001962 467018241 /nfs/dbraw/zinc/01/82/41/467018241.db2.gz XRYQSMOTGRGCPK-CABCVRRESA-N 2 2 342.846 2.215 10 0 EEAELP CC[N@H+]1CC[C@@H](NC(=O)N(C)CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418001962 467018247 /nfs/dbraw/zinc/01/82/47/467018247.db2.gz XRYQSMOTGRGCPK-CABCVRRESA-N 2 2 342.846 2.215 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371878 467382159 /nfs/dbraw/zinc/38/21/59/467382159.db2.gz MBSNQFLKSZVWBZ-KDOFPFPSSA-N 2 2 333.501 2.097 10 0 EEAELP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420371878 467382163 /nfs/dbraw/zinc/38/21/63/467382163.db2.gz MBSNQFLKSZVWBZ-KDOFPFPSSA-N 2 2 333.501 2.097 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420389408 467390392 /nfs/dbraw/zinc/39/03/92/467390392.db2.gz XMDVUFWPLLAYOI-UZLBHIALSA-N 2 2 327.472 2.430 10 0 EEAELP C[C@H](C(=O)N1CCCc2ccccc21)[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420389408 467390394 /nfs/dbraw/zinc/39/03/94/467390394.db2.gz XMDVUFWPLLAYOI-UZLBHIALSA-N 2 2 327.472 2.430 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454878263 467621804 /nfs/dbraw/zinc/62/18/04/467621804.db2.gz WKEHBCPYNIKSAS-KRWDZBQOSA-N 2 2 341.459 2.224 10 0 EEAELP CCn1cc[nH+]c1CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454878263 467621805 /nfs/dbraw/zinc/62/18/05/467621805.db2.gz WKEHBCPYNIKSAS-KRWDZBQOSA-N 2 2 341.459 2.224 10 0 EEAELP Cc1c[nH+]cn1CC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000529465162 467867405 /nfs/dbraw/zinc/86/74/05/467867405.db2.gz VUPDZDVRMSFMAH-UHFFFAOYSA-N 2 2 338.209 2.054 10 0 EEAELP Cc1ccccc1[C@@H](C[NH+]1CCOCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000530219137 467964643 /nfs/dbraw/zinc/96/46/43/467964643.db2.gz KMWWNIKWNGYIGL-MOPGFXCFSA-N 2 2 329.488 2.243 10 0 EEAELP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000530243724 467967413 /nfs/dbraw/zinc/96/74/13/467967413.db2.gz ZSOGHORRJVGNAE-QGZVFWFLSA-N 2 2 345.491 2.081 10 0 EEAELP Cn1c[nH+]cc1[C@H]1[C@H]([NH2+][C@@H]2CCCSC2)CCC(=O)N1C1CC1 ZINC000487095747 468022461 /nfs/dbraw/zinc/02/24/61/468022461.db2.gz UMNGWLJJMWVRFE-SUYBPPKGSA-N 2 2 334.489 2.100 10 0 EEAELP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000531631525 468066176 /nfs/dbraw/zinc/06/61/76/468066176.db2.gz YVKUPRLYNLJAIX-GJZGRUSLSA-N 2 2 329.448 2.396 10 0 EEAELP COc1ccc([C@H](N[C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000567639728 468175986 /nfs/dbraw/zinc/17/59/86/468175986.db2.gz QKDHTCXCYIKZRI-LJHODMEESA-N 2 2 326.444 2.359 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567915532 468237370 /nfs/dbraw/zinc/23/73/70/468237370.db2.gz VTGFTHSQAICFSQ-LKTVYLICSA-N 2 2 327.831 2.339 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000567915532 468237377 /nfs/dbraw/zinc/23/73/77/468237377.db2.gz VTGFTHSQAICFSQ-LKTVYLICSA-N 2 2 327.831 2.339 10 0 EEAELP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000594928213 468725034 /nfs/dbraw/zinc/72/50/34/468725034.db2.gz GMWOEOSFWDLKCC-MWQQHZPXSA-N 2 2 327.428 2.491 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000584287692 468836913 /nfs/dbraw/zinc/83/69/13/468836913.db2.gz YLGYUKIECMZNCQ-KBPBESRZSA-N 2 2 339.361 2.479 10 0 EEAELP O[C@H](C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000584287692 468836916 /nfs/dbraw/zinc/83/69/16/468836916.db2.gz YLGYUKIECMZNCQ-KBPBESRZSA-N 2 2 339.361 2.479 10 0 EEAELP CC[C@@H]1C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H](C)[S@]1=O ZINC000561962686 468913621 /nfs/dbraw/zinc/91/36/21/468913621.db2.gz DVUGEITYERLAGZ-OLJPZDALSA-N 2 2 332.473 2.307 10 0 EEAELP CC[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H](C)[S@]1=O ZINC000561962686 468913628 /nfs/dbraw/zinc/91/36/28/468913628.db2.gz DVUGEITYERLAGZ-OLJPZDALSA-N 2 2 332.473 2.307 10 0 EEAELP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](C)S(C)(=O)=O)CC1 ZINC000562653719 469021333 /nfs/dbraw/zinc/02/13/33/469021333.db2.gz MJCVPKFPKAKPJA-CVEARBPZSA-N 2 2 338.517 2.105 10 0 EEAELP COC(=O)c1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)s1 ZINC000595906800 469074656 /nfs/dbraw/zinc/07/46/56/469074656.db2.gz NWJGFINILCYNAS-HNNXBMFYSA-N 2 2 340.489 2.386 10 0 EEAELP COC(=O)c1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)s1 ZINC000595906800 469074666 /nfs/dbraw/zinc/07/46/66/469074666.db2.gz NWJGFINILCYNAS-HNNXBMFYSA-N 2 2 340.489 2.386 10 0 EEAELP Cc1cnc(CC[N@@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000563061411 469156357 /nfs/dbraw/zinc/15/63/57/469156357.db2.gz IBHRZPMEERKRPB-AZUAARDMSA-N 2 2 330.520 2.199 10 0 EEAELP Cc1cnc(CC[N@H+]2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)c(C)c1 ZINC000563061411 469156366 /nfs/dbraw/zinc/15/63/66/469156366.db2.gz IBHRZPMEERKRPB-AZUAARDMSA-N 2 2 330.520 2.199 10 0 EEAELP COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000612402126 469456397 /nfs/dbraw/zinc/45/63/97/469456397.db2.gz ASKAHDUBHZAYPX-KRWDZBQOSA-N 2 2 328.416 2.493 10 0 EEAELP COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000612402126 469456398 /nfs/dbraw/zinc/45/63/98/469456398.db2.gz ASKAHDUBHZAYPX-KRWDZBQOSA-N 2 2 328.416 2.493 10 0 EEAELP OC[C@]12CCC[C@H]1C[N@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000626015456 469470655 /nfs/dbraw/zinc/47/06/55/469470655.db2.gz WGBORTXWDLQGNJ-PCCBWWKXSA-N 2 2 344.499 2.372 10 0 EEAELP OC[C@]12CCC[C@H]1C[N@@H+](C[C@@H]1C[NH+](Cc3ccccc3)CCCO1)C2 ZINC000626015456 469470659 /nfs/dbraw/zinc/47/06/59/469470659.db2.gz WGBORTXWDLQGNJ-PCCBWWKXSA-N 2 2 344.499 2.372 10 0 EEAELP OC[C@]12CCC[C@H]1C[NH+](C[C@@H]1C[N@H+](Cc3ccccc3)CCCO1)C2 ZINC000626015456 469470661 /nfs/dbraw/zinc/47/06/61/469470661.db2.gz WGBORTXWDLQGNJ-PCCBWWKXSA-N 2 2 344.499 2.372 10 0 EEAELP OC[C@]12CCC[C@H]1C[NH+](C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)C2 ZINC000626015456 469470664 /nfs/dbraw/zinc/47/06/64/469470664.db2.gz WGBORTXWDLQGNJ-PCCBWWKXSA-N 2 2 344.499 2.372 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[C@H](C)[C@@H](n3cc[nH+]c3)C1)CC2 ZINC000626092977 469500209 /nfs/dbraw/zinc/50/02/09/469500209.db2.gz LOKOGYZUYFHJRB-IMJJTQAJSA-N 2 2 327.432 2.060 10 0 EEAELP CC1(C)C[NH+](CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)C1 ZINC000629389941 469529388 /nfs/dbraw/zinc/52/93/88/469529388.db2.gz XTCNSSNPQOCVIQ-UHFFFAOYSA-N 2 2 340.471 2.154 10 0 EEAELP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428773 469654155 /nfs/dbraw/zinc/65/41/55/469654155.db2.gz ZZPUJIWTHHPKKV-HSALFYBXSA-N 3 2 345.531 2.332 10 0 EEAELP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428773 469654159 /nfs/dbraw/zinc/65/41/59/469654159.db2.gz ZZPUJIWTHHPKKV-HSALFYBXSA-N 3 2 345.531 2.332 10 0 EEAELP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428773 469654162 /nfs/dbraw/zinc/65/41/62/469654162.db2.gz ZZPUJIWTHHPKKV-HSALFYBXSA-N 3 2 345.531 2.332 10 0 EEAELP C[NH+]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1(C)C ZINC000623428773 469654166 /nfs/dbraw/zinc/65/41/66/469654166.db2.gz ZZPUJIWTHHPKKV-HSALFYBXSA-N 3 2 345.531 2.332 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH+]c[nH]c2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000613595031 469745644 /nfs/dbraw/zinc/74/56/44/469745644.db2.gz UVSSFDJGMOYEOZ-DHSIGJKJSA-N 2 2 326.444 2.322 10 0 EEAELP C[C@H](NC(=O)[C@H]1CCc2[nH]c[nH+]c2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000613595031 469745647 /nfs/dbraw/zinc/74/56/47/469745647.db2.gz UVSSFDJGMOYEOZ-DHSIGJKJSA-N 2 2 326.444 2.322 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)C[NH2+]1 ZINC000626926578 469757626 /nfs/dbraw/zinc/75/76/26/469757626.db2.gz BIYZIRISLJBPEQ-UHOFOFEASA-N 2 2 345.422 2.088 10 0 EEAELP Cc1cccc(C2(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)CCC2)c1 ZINC000617768144 469798701 /nfs/dbraw/zinc/79/87/01/469798701.db2.gz QQVQOZAUGDVWCN-UHFFFAOYSA-N 2 2 331.504 2.416 10 0 EEAELP Cc1cccc(C2(C(=O)NCC[N@H+](C)CCC[NH+](C)C)CCC2)c1 ZINC000617768144 469798707 /nfs/dbraw/zinc/79/87/07/469798707.db2.gz QQVQOZAUGDVWCN-UHFFFAOYSA-N 2 2 331.504 2.416 10 0 EEAELP C[C@@H]1CC[C@@H](NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)C[NH2+]1 ZINC000627204445 469843742 /nfs/dbraw/zinc/84/37/42/469843742.db2.gz DOELMSXNKDESLV-NVXWUHKLSA-N 2 2 333.480 2.225 10 0 EEAELP C[C@@H]1CC[C@H](NC(=O)N(C)[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[NH2+]1 ZINC000627205624 469844112 /nfs/dbraw/zinc/84/41/12/469844112.db2.gz CDTJJDOWVAWXMM-KBMXLJTQSA-N 2 2 327.432 2.281 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000624133742 469850755 /nfs/dbraw/zinc/85/07/55/469850755.db2.gz VPHGFJAKTGTERF-ZWNOBZJWSA-N 2 2 328.254 2.425 10 0 EEAELP COc1ncc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000624133742 469850760 /nfs/dbraw/zinc/85/07/60/469850760.db2.gz VPHGFJAKTGTERF-ZWNOBZJWSA-N 2 2 328.254 2.425 10 0 EEAELP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1c1nc2ccccc2n2c[nH+]cc12 ZINC000624142377 469855116 /nfs/dbraw/zinc/85/51/16/469855116.db2.gz VKQNMRWOCBHEQK-CQSZACIVSA-N 2 2 339.443 2.164 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)CC2 ZINC000624161051 469860089 /nfs/dbraw/zinc/86/00/89/469860089.db2.gz YWTBORMJGGVGMN-QGZVFWFLSA-N 2 2 332.492 2.382 10 0 EEAELP CC[C@@H]1CN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000620899446 469944019 /nfs/dbraw/zinc/94/40/19/469944019.db2.gz HKMVPPDZCGEEFR-DOTOQJQBSA-N 2 2 326.444 2.073 10 0 EEAELP Cc1cn2c([nH+]1)C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000624520547 469966654 /nfs/dbraw/zinc/96/66/54/469966654.db2.gz RIRSRAQOPXUYBC-IDHHARJASA-N 2 2 332.492 2.381 10 0 EEAELP CC(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000630842409 470009244 /nfs/dbraw/zinc/00/92/44/470009244.db2.gz SZKHPOAGGBZNQN-QGZVFWFLSA-N 2 2 326.444 2.261 10 0 EEAELP CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000630842409 470009246 /nfs/dbraw/zinc/00/92/46/470009246.db2.gz SZKHPOAGGBZNQN-QGZVFWFLSA-N 2 2 326.444 2.261 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC[N@@H+]1C ZINC000630913908 470026326 /nfs/dbraw/zinc/02/63/26/470026326.db2.gz COBFGMKVTCRDPK-ZWKOTPCHSA-N 2 2 345.487 2.070 10 0 EEAELP CC[C@@H]1[C@@H](C(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC[N@H+]1C ZINC000630913908 470026328 /nfs/dbraw/zinc/02/63/28/470026328.db2.gz COBFGMKVTCRDPK-ZWKOTPCHSA-N 2 2 345.487 2.070 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Cc1ccc(F)c(Cl)c1 ZINC000628062458 470049788 /nfs/dbraw/zinc/04/97/88/470049788.db2.gz GVJOPXLZVPMSTH-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Cc1ccc(F)c(Cl)c1 ZINC000628062458 470049789 /nfs/dbraw/zinc/04/97/89/470049789.db2.gz GVJOPXLZVPMSTH-UHFFFAOYSA-N 2 2 329.847 2.021 10 0 EEAELP CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000625216630 470096351 /nfs/dbraw/zinc/09/63/51/470096351.db2.gz RQBTZFLCPMCFCA-UHFFFAOYSA-N 2 2 332.370 2.390 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000631277262 470108682 /nfs/dbraw/zinc/10/86/82/470108682.db2.gz XXVRLWOBQSKZNB-SFHVURJKSA-N 2 2 349.906 2.464 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H]1Cc2ccc(Cl)cc21 ZINC000631277262 470108684 /nfs/dbraw/zinc/10/86/84/470108684.db2.gz XXVRLWOBQSKZNB-SFHVURJKSA-N 2 2 349.906 2.464 10 0 EEAELP Cn1c2cc(C[N@H+](CC[NH3+])CCc3ccccc3)ccc2oc1=O ZINC000631825831 470185920 /nfs/dbraw/zinc/18/59/20/470185920.db2.gz WEUCYTGFMGKLTI-UHFFFAOYSA-N 2 2 325.412 2.135 10 0 EEAELP Cn1c2cc(C[N@@H+](CC[NH3+])CCc3ccccc3)ccc2oc1=O ZINC000631825831 470185921 /nfs/dbraw/zinc/18/59/21/470185921.db2.gz WEUCYTGFMGKLTI-UHFFFAOYSA-N 2 2 325.412 2.135 10 0 EEAELP CC(C)(C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000634640535 470273071 /nfs/dbraw/zinc/27/30/71/470273071.db2.gz BHXNIGJKTJPGOL-CTNGQTDRSA-N 2 2 346.515 2.325 10 0 EEAELP CC(C)(C[NH2+]C[C@H](O)C[C@](C)(O)C1CC1)[N@H+]1CCc2ccccc2C1 ZINC000634640535 470273072 /nfs/dbraw/zinc/27/30/72/470273072.db2.gz BHXNIGJKTJPGOL-CTNGQTDRSA-N 2 2 346.515 2.325 10 0 EEAELP CCn1cc[nH+]c1CN1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000649750466 470685961 /nfs/dbraw/zinc/68/59/61/470685961.db2.gz OQLNVWCOMANOEO-RTBURBONSA-N 2 2 340.471 2.378 10 0 EEAELP CCn1cc[nH+]c1CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000649750466 470685966 /nfs/dbraw/zinc/68/59/66/470685966.db2.gz OQLNVWCOMANOEO-RTBURBONSA-N 2 2 340.471 2.378 10 0 EEAELP CCn1cc[nH+]c1CN1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000649750464 470686232 /nfs/dbraw/zinc/68/62/32/470686232.db2.gz OQLNVWCOMANOEO-OALUTQOASA-N 2 2 340.471 2.378 10 0 EEAELP CCn1cc[nH+]c1CN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000649750464 470686234 /nfs/dbraw/zinc/68/62/34/470686234.db2.gz OQLNVWCOMANOEO-OALUTQOASA-N 2 2 340.471 2.378 10 0 EEAELP c1cc(C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)n(-c2ccccn2)n1 ZINC000647171947 470847943 /nfs/dbraw/zinc/84/79/43/470847943.db2.gz BPQMGYCONWHENY-UHFFFAOYSA-N 2 2 348.454 2.417 10 0 EEAELP CC(C)(C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)[C@@]1(O)CCOC1 ZINC000647247747 470867727 /nfs/dbraw/zinc/86/77/27/470867727.db2.gz ZTRSFEDPSMFFBC-OAHLLOKOSA-N 2 2 338.414 2.170 10 0 EEAELP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2n(n1)CCCC2 ZINC000647295353 470877847 /nfs/dbraw/zinc/87/78/47/470877847.db2.gz IOHNTYCQYCWSRC-OAHLLOKOSA-N 2 2 343.475 2.406 10 0 EEAELP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000647631062 470942837 /nfs/dbraw/zinc/94/28/37/470942837.db2.gz DYUWQMRINTZWBY-QZTJIDSGSA-N 2 2 342.418 2.190 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899732 471010687 /nfs/dbraw/zinc/01/06/87/471010687.db2.gz UJFVSDSUZQLDIT-BPQIPLTHSA-N 2 2 327.472 2.428 10 0 EEAELP C[C@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899732 471010689 /nfs/dbraw/zinc/01/06/89/471010689.db2.gz UJFVSDSUZQLDIT-BPQIPLTHSA-N 2 2 327.472 2.428 10 0 EEAELP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000647899762 471011308 /nfs/dbraw/zinc/01/13/08/471011308.db2.gz VONGKCLGTQHEEF-CBQXQHFASA-N 2 2 345.531 2.391 10 0 EEAELP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NC1C2CC3CC(C2)CC1C3 ZINC000647899762 471011310 /nfs/dbraw/zinc/01/13/10/471011310.db2.gz VONGKCLGTQHEEF-CBQXQHFASA-N 2 2 345.531 2.391 10 0 EEAELP COc1ccc2cc(C[N@@H+]3CCN(CC[NH+](C)C)C(=O)C3)ccc2c1 ZINC000651889872 471158039 /nfs/dbraw/zinc/15/80/39/471158039.db2.gz CXXBRHZOXRQSBZ-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP COc1ccc2cc(C[N@H+]3CCN(CC[NH+](C)C)C(=O)C3)ccc2c1 ZINC000651889872 471158044 /nfs/dbraw/zinc/15/80/44/471158044.db2.gz CXXBRHZOXRQSBZ-UHFFFAOYSA-N 2 2 341.455 2.054 10 0 EEAELP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000648316160 471161631 /nfs/dbraw/zinc/16/16/31/471161631.db2.gz JCQJBAJWLFKRDE-ZFWWWQNUSA-N 2 2 329.435 2.097 10 0 EEAELP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000648316160 471161635 /nfs/dbraw/zinc/16/16/35/471161635.db2.gz JCQJBAJWLFKRDE-ZFWWWQNUSA-N 2 2 329.435 2.097 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000645197427 471172665 /nfs/dbraw/zinc/17/26/65/471172665.db2.gz ICPPRQIKPLGXBA-KRWDZBQOSA-N 2 2 342.418 2.292 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2[nH+]ccc3cc(F)ccc32)CC1 ZINC000645197427 471172670 /nfs/dbraw/zinc/17/26/70/471172670.db2.gz ICPPRQIKPLGXBA-KRWDZBQOSA-N 2 2 342.418 2.292 10 0 EEAELP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000663372310 471344768 /nfs/dbraw/zinc/34/47/68/471344768.db2.gz IWZJLAACMFEDFC-WOJBJXKFSA-N 2 2 333.520 2.189 10 0 EEAELP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000663372310 471344771 /nfs/dbraw/zinc/34/47/71/471344771.db2.gz IWZJLAACMFEDFC-WOJBJXKFSA-N 2 2 333.520 2.189 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000666330397 471359386 /nfs/dbraw/zinc/35/93/86/471359386.db2.gz NTIAXWPNKQZDOF-UHFFFAOYSA-N 2 2 348.491 2.405 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000666330397 471359388 /nfs/dbraw/zinc/35/93/88/471359388.db2.gz NTIAXWPNKQZDOF-UHFFFAOYSA-N 2 2 348.491 2.405 10 0 EEAELP COc1cccc([C@H](CNC(=O)N[C@H](C)c2[nH+]ccn2C)[NH+](C)C)c1 ZINC000663445038 471381285 /nfs/dbraw/zinc/38/12/85/471381285.db2.gz NQOLIQVTPMQYQB-CJNGLKHVSA-N 2 2 345.447 2.092 10 0 EEAELP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1nnc2n1CCCCC2 ZINC000655686849 471442881 /nfs/dbraw/zinc/44/28/81/471442881.db2.gz QTNGPYHSZAFHNR-NVXWUHKLSA-N 2 2 347.507 2.299 10 0 EEAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000655775732 471478420 /nfs/dbraw/zinc/47/84/20/471478420.db2.gz AEGOROIQFBJFJF-FQEVSTJZSA-N 2 2 342.487 2.426 10 0 EEAELP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000655775732 471478426 /nfs/dbraw/zinc/47/84/26/471478426.db2.gz AEGOROIQFBJFJF-FQEVSTJZSA-N 2 2 342.487 2.426 10 0 EEAELP [NH3+]CCc1ccccc1C(=O)Nc1cccc(C[NH+]2CCOCC2)c1 ZINC000653113128 471494422 /nfs/dbraw/zinc/49/44/22/471494422.db2.gz UCOPCYNVBDKWDZ-UHFFFAOYSA-N 2 2 339.439 2.272 10 0 EEAELP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(S(N)(=O)=O)cc1 ZINC000655849317 471502835 /nfs/dbraw/zinc/50/28/35/471502835.db2.gz TWFNGDAQBMLEHP-RRQGHBQHSA-N 2 2 337.489 2.002 10 0 EEAELP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(S(N)(=O)=O)cc1 ZINC000655849317 471502839 /nfs/dbraw/zinc/50/28/39/471502839.db2.gz TWFNGDAQBMLEHP-RRQGHBQHSA-N 2 2 337.489 2.002 10 0 EEAELP Cc1ccc(Cc2ccccn2)cc1NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653156805 471510756 /nfs/dbraw/zinc/51/07/56/471510756.db2.gz LZOJBQCSSFMOBN-QGZVFWFLSA-N 2 2 326.444 2.198 10 0 EEAELP COc1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000666939686 471597284 /nfs/dbraw/zinc/59/72/84/471597284.db2.gz BXALLYDOCSMZKA-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP COc1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000666939686 471597288 /nfs/dbraw/zinc/59/72/88/471597288.db2.gz BXALLYDOCSMZKA-UHFFFAOYSA-N 2 2 342.871 2.354 10 0 EEAELP C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000664087633 471633609 /nfs/dbraw/zinc/63/36/09/471633609.db2.gz PDBKAJOTJAAMQX-CRAIPNDOSA-N 2 2 332.492 2.103 10 0 EEAELP C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000664087633 471633614 /nfs/dbraw/zinc/63/36/14/471633614.db2.gz PDBKAJOTJAAMQX-CRAIPNDOSA-N 2 2 332.492 2.103 10 0 EEAELP CN(C)c1c[nH+]ccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000670079640 471671275 /nfs/dbraw/zinc/67/12/75/471671275.db2.gz ICSYPTWBIGUJCS-AWEZNQCLSA-N 2 2 333.461 2.055 10 0 EEAELP O=C(CC[N@H+]1CCC[C@@H](CCF)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661693759 471854842 /nfs/dbraw/zinc/85/48/42/471854842.db2.gz SKSXHMLTZVEPNT-KRWDZBQOSA-N 2 2 348.466 2.192 10 0 EEAELP O=C(CC[N@@H+]1CCC[C@@H](CCF)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000661693759 471854843 /nfs/dbraw/zinc/85/48/43/471854843.db2.gz SKSXHMLTZVEPNT-KRWDZBQOSA-N 2 2 348.466 2.192 10 0 EEAELP C[C@@]12COC[C@H]1C[N@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000661705663 471857727 /nfs/dbraw/zinc/85/77/27/471857727.db2.gz WPEAUUDYCGHGKR-UYAOXDASSA-N 2 2 329.488 2.167 10 0 EEAELP C[C@@]12COC[C@H]1C[N@@H+](CCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000661705663 471857732 /nfs/dbraw/zinc/85/77/32/471857732.db2.gz WPEAUUDYCGHGKR-UYAOXDASSA-N 2 2 329.488 2.167 10 0 EEAELP CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000667666594 471860506 /nfs/dbraw/zinc/86/05/06/471860506.db2.gz SDUFZGBKNMYSLE-MSOLQXFVSA-N 2 2 342.443 2.019 10 0 EEAELP C[C@H]1C[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCCOC2)O1 ZINC000668098739 472008317 /nfs/dbraw/zinc/00/83/17/472008317.db2.gz QAZNAJBIEHTCNX-YJBOKZPZSA-N 2 2 328.416 2.037 10 0 EEAELP C[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C[C@]2(CCCOC2)O1 ZINC000668098739 472008321 /nfs/dbraw/zinc/00/83/21/472008321.db2.gz QAZNAJBIEHTCNX-YJBOKZPZSA-N 2 2 328.416 2.037 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000662201522 472025976 /nfs/dbraw/zinc/02/59/76/472025976.db2.gz MPZPDEUMAVJZKX-FUHWJXTLSA-N 2 2 329.488 2.201 10 0 EEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000662201522 472025983 /nfs/dbraw/zinc/02/59/83/472025983.db2.gz MPZPDEUMAVJZKX-FUHWJXTLSA-N 2 2 329.488 2.201 10 0 EEAELP FC(F)(F)c1csc([C@@H]2CCC[N@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662278261 472052924 /nfs/dbraw/zinc/05/29/24/472052924.db2.gz DHDBLFWOTBOPQE-MNOVXSKESA-N 2 2 335.395 2.330 10 0 EEAELP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](C[C@@H]3C[NH2+]CCO3)C2)n1 ZINC000662278261 472052927 /nfs/dbraw/zinc/05/29/27/472052927.db2.gz DHDBLFWOTBOPQE-MNOVXSKESA-N 2 2 335.395 2.330 10 0 EEAELP [NH3+]CC12CC(C1)C[N@@H+]2CCC(=O)Nc1ccc(Br)cc1 ZINC000662303364 472064216 /nfs/dbraw/zinc/06/42/16/472064216.db2.gz ASBYMRAFHAMTSN-UHFFFAOYSA-N 2 2 338.249 2.201 10 0 EEAELP [NH3+]CC12CC(C1)C[N@H+]2CCC(=O)Nc1ccc(Br)cc1 ZINC000662303364 472064219 /nfs/dbraw/zinc/06/42/19/472064219.db2.gz ASBYMRAFHAMTSN-UHFFFAOYSA-N 2 2 338.249 2.201 10 0 EEAELP Cc1[nH+]cc(CN2CCO[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000668285979 472070756 /nfs/dbraw/zinc/07/07/56/472070756.db2.gz WXWALVLAPDCRBW-VQTJNVASSA-N 2 2 340.471 2.204 10 0 EEAELP Cc1[nH+]cc(CN2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000668285979 472070761 /nfs/dbraw/zinc/07/07/61/472070761.db2.gz WXWALVLAPDCRBW-VQTJNVASSA-N 2 2 340.471 2.204 10 0 EEAELP O=C(NCc1[nH+]ccn1CC(F)(F)F)c1cccc2c1CC[NH2+]C2 ZINC000662714697 472220440 /nfs/dbraw/zinc/22/04/40/472220440.db2.gz LKTZVBNBIFUSGZ-UHFFFAOYSA-N 2 2 338.333 2.021 10 0 EEAELP COc1cc(C)c(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000668741574 472249081 /nfs/dbraw/zinc/24/90/81/472249081.db2.gz UYZOJCIXVGYZBT-QGZVFWFLSA-N 2 2 334.460 2.043 10 0 EEAELP COc1cc(C)c(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1OC ZINC000668741574 472249084 /nfs/dbraw/zinc/24/90/84/472249084.db2.gz UYZOJCIXVGYZBT-QGZVFWFLSA-N 2 2 334.460 2.043 10 0 EEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662799244 472257360 /nfs/dbraw/zinc/25/73/60/472257360.db2.gz VQGHNQBJPKKBKA-GVAFMPQTSA-N 2 2 339.842 2.468 10 0 EEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662799244 472257367 /nfs/dbraw/zinc/25/73/67/472257367.db2.gz VQGHNQBJPKKBKA-GVAFMPQTSA-N 2 2 339.842 2.468 10 0 EEAELP CC(C)[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000678795533 485504818 /nfs/dbraw/zinc/50/48/18/485504818.db2.gz CABIVYWJBLZYDL-KRWDZBQOSA-N 2 2 325.403 2.026 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000651363027 485538219 /nfs/dbraw/zinc/53/82/19/485538219.db2.gz MEOQHYBZEVDDSC-HZPDHXFCSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)nc[nH+]1 ZINC000651363027 485538226 /nfs/dbraw/zinc/53/82/26/485538226.db2.gz MEOQHYBZEVDDSC-HZPDHXFCSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000651363027 485538233 /nfs/dbraw/zinc/53/82/33/485538233.db2.gz MEOQHYBZEVDDSC-HZPDHXFCSA-N 2 2 335.496 2.074 10 0 EEAELP CC(C)C[N@@H+](C)CCCNc1cc(N2CC[C@@H]([C@@H](C)O)C2)[nH+]cn1 ZINC000651363027 485538240 /nfs/dbraw/zinc/53/82/40/485538240.db2.gz MEOQHYBZEVDDSC-HZPDHXFCSA-N 2 2 335.496 2.074 10 0 EEAELP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000431736457 485706784 /nfs/dbraw/zinc/70/67/84/485706784.db2.gz BPQLDVHZNTWNCV-KRWDZBQOSA-N 2 2 330.476 2.431 10 0 EEAELP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000431736457 485706791 /nfs/dbraw/zinc/70/67/91/485706791.db2.gz BPQLDVHZNTWNCV-KRWDZBQOSA-N 2 2 330.476 2.431 10 0 EEAELP C[NH2+]CCOCC[N@H+](C)Cc1c(F)ccc(Br)c1F ZINC000629571734 485735112 /nfs/dbraw/zinc/73/51/12/485735112.db2.gz IEEJJJWFRUPIBH-UHFFFAOYSA-N 2 2 337.208 2.395 10 0 EEAELP C[NH2+]CCOCC[N@@H+](C)Cc1c(F)ccc(Br)c1F ZINC000629571734 485735118 /nfs/dbraw/zinc/73/51/18/485735118.db2.gz IEEJJJWFRUPIBH-UHFFFAOYSA-N 2 2 337.208 2.395 10 0 EEAELP O=C(Nc1ccc2[nH+]ccn2c1)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000675689813 486047414 /nfs/dbraw/zinc/04/74/14/486047414.db2.gz FUTOEXHXESSKTO-HOTGVXAUSA-N 2 2 343.431 2.099 10 0 EEAELP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCn2cc(C)[nH+]c2C1)c1ccco1 ZINC000673142291 486281295 /nfs/dbraw/zinc/28/12/95/486281295.db2.gz JWCBUKKWLWLRIL-UKRRQHHQSA-N 2 2 345.447 2.439 10 0 EEAELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)[C@H](C)C1 ZINC000174775880 527829342 /nfs/dbraw/zinc/82/93/42/527829342.db2.gz DZPWQYFFRODUAY-QAPCUYQASA-N 2 2 335.467 2.446 10 0 EEAELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2F)[C@H](C)C1 ZINC000174775880 527829350 /nfs/dbraw/zinc/82/93/50/527829350.db2.gz DZPWQYFFRODUAY-QAPCUYQASA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2F)[C@H](C)C1 ZINC000174775880 527829353 /nfs/dbraw/zinc/82/93/53/527829353.db2.gz DZPWQYFFRODUAY-QAPCUYQASA-N 2 2 335.467 2.446 10 0 EEAELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2F)[C@H](C)C1 ZINC000174775880 527829357 /nfs/dbraw/zinc/82/93/57/527829357.db2.gz DZPWQYFFRODUAY-QAPCUYQASA-N 2 2 335.467 2.446 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000154605972 529176003 /nfs/dbraw/zinc/17/60/03/529176003.db2.gz VJQUAWJJHPUGCQ-DOTOQJQBSA-N 2 2 333.476 2.289 10 0 EEAELP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000154605972 529176005 /nfs/dbraw/zinc/17/60/05/529176005.db2.gz VJQUAWJJHPUGCQ-DOTOQJQBSA-N 2 2 333.476 2.289 10 0 EEAELP COc1ccccc1C1(C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CCC1 ZINC000423035441 537012696 /nfs/dbraw/zinc/01/26/96/537012696.db2.gz JLTNPBMHBGGBKG-MOPGFXCFSA-N 2 2 330.472 2.474 10 0 EEAELP c1cn(-c2cc(C[NH2+]Cc3ccccc3-n3cncn3)ccn2)c[nH+]1 ZINC000726797683 576300589 /nfs/dbraw/zinc/30/05/89/576300589.db2.gz PVZFJSKYCSGABR-UHFFFAOYSA-N 2 2 331.383 2.138 10 0 EEAELP Cn1nccc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000775332605 577435145 /nfs/dbraw/zinc/43/51/45/577435145.db2.gz HVPLATBCRFKUBL-UHFFFAOYSA-N 2 2 327.432 2.453 10 0 EEAELP COc1ccc(OC)c([C@@H](O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000751482172 577753846 /nfs/dbraw/zinc/75/38/46/577753846.db2.gz HWRQWYUIUQJSOC-KRWDZBQOSA-N 2 2 331.416 2.340 10 0 EEAELP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[N@H+](C)CCO2)cc1C(F)(F)F ZINC000899671963 693828837 /nfs/dbraw/zinc/82/88/37/693828837.db2.gz KKKCTOACYPTMAM-AWEZNQCLSA-N 2 2 345.365 2.036 10 0 EEAELP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)cc1C(F)(F)F ZINC000899671963 693828840 /nfs/dbraw/zinc/82/88/40/693828840.db2.gz KKKCTOACYPTMAM-AWEZNQCLSA-N 2 2 345.365 2.036 10 0 EEAELP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2c(cccc2O)s1 ZINC000895391038 684577411 /nfs/dbraw/zinc/57/74/11/684577411.db2.gz SETIZOTZULTRSD-AWEZNQCLSA-N 2 2 333.457 2.036 10 0 EEAELP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2c(cccc2O)s1 ZINC000895391038 684577414 /nfs/dbraw/zinc/57/74/14/684577414.db2.gz SETIZOTZULTRSD-AWEZNQCLSA-N 2 2 333.457 2.036 10 0 EEAELP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000899810858 693877179 /nfs/dbraw/zinc/87/71/79/693877179.db2.gz RZXMOWJNLAFIRZ-OAHLLOKOSA-N 2 2 348.410 2.013 10 0 EEAELP COCCCn1nccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556944 684641755 /nfs/dbraw/zinc/64/17/55/684641755.db2.gz NPFFCWOVEXFSAN-MRXNPFEDSA-N 2 2 329.448 2.025 10 0 EEAELP COCCCn1nccc1C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000895556944 684641757 /nfs/dbraw/zinc/64/17/57/684641757.db2.gz NPFFCWOVEXFSAN-MRXNPFEDSA-N 2 2 329.448 2.025 10 0 EEAELP CC(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001485722038 1191909602 /nfs/dbraw/zinc/90/96/02/1191909602.db2.gz CDPYSASJMOEMIX-WMLDXEAASA-N 2 2 335.496 2.321 10 0 EEAELP CC(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001485722038 1191909604 /nfs/dbraw/zinc/90/96/04/1191909604.db2.gz CDPYSASJMOEMIX-WMLDXEAASA-N 2 2 335.496 2.321 10 0 EEAELP CO[C@H](C)C[NH2+][C@H](CCNC(=O)c1ccn2c(C)c[nH+]c2c1)C(C)C ZINC001485785973 1191951679 /nfs/dbraw/zinc/95/16/79/1191951679.db2.gz QFTHTWSFLNUVST-NVXWUHKLSA-N 2 2 346.475 2.412 10 0 EEAELP Cc1csc(C[N@@H+]2CCC[C@@H]2CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001266247415 1176019107 /nfs/dbraw/zinc/01/91/07/1176019107.db2.gz LMOFMQINBFMLCB-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP Cc1csc(C[N@H+]2CCC[C@@H]2CCCNC(=O)Cn2cc[nH+]c2)n1 ZINC001266247415 1176019117 /nfs/dbraw/zinc/01/91/17/1176019117.db2.gz LMOFMQINBFMLCB-HNNXBMFYSA-N 2 2 347.488 2.209 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@H+](CCCCc2ccccc2)C1 ZINC001266353559 1176380770 /nfs/dbraw/zinc/38/07/70/1176380770.db2.gz XNIFUPNNCMGFBM-SFHVURJKSA-N 2 2 340.471 2.176 10 0 EEAELP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC001266353559 1176380778 /nfs/dbraw/zinc/38/07/78/1176380778.db2.gz XNIFUPNNCMGFBM-SFHVURJKSA-N 2 2 340.471 2.176 10 0 EEAELP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001670692536 1177002213 /nfs/dbraw/zinc/00/22/13/1177002213.db2.gz UMLBTNSOAIXWPR-QGZUEGPWSA-N 2 2 346.475 2.431 10 0 EEAELP CC/C=C\CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001670692536 1177002218 /nfs/dbraw/zinc/00/22/18/1177002218.db2.gz UMLBTNSOAIXWPR-QGZUEGPWSA-N 2 2 346.475 2.431 10 0 EEAELP CN(CC[NH2+]Cc1ccc(CF)cc1)C(=O)CCc1[nH+]ccn1C ZINC001691406378 1178019740 /nfs/dbraw/zinc/01/97/40/1178019740.db2.gz RDQOQPMKMHZYSA-UHFFFAOYSA-N 2 2 332.423 2.070 10 0 EEAELP Cc1cn(C(C)(C)C(=O)N(C)CC[NH2+]C[C@@H]2CCC(F)(F)C2)c[nH+]1 ZINC001267390610 1178956288 /nfs/dbraw/zinc/95/62/88/1178956288.db2.gz RIDLWAZKFBYOEE-CQSZACIVSA-N 2 2 342.434 2.410 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@H]3CC[N@@H+](CC[C@H](C)F)C3)[nH+]c12 ZINC001481114146 1179769139 /nfs/dbraw/zinc/76/91/39/1179769139.db2.gz HJWJNHWATGIBGF-JKSUJKDBSA-N 2 2 346.450 2.371 10 0 EEAELP Cc1cccn2cc(CC(=O)NC[C@H]3CC[N@H+](CC[C@H](C)F)C3)[nH+]c12 ZINC001481114146 1179769142 /nfs/dbraw/zinc/76/91/42/1179769142.db2.gz HJWJNHWATGIBGF-JKSUJKDBSA-N 2 2 346.450 2.371 10 0 EEAELP CN(CC[NH2+]Cc1ccc(Cl)cc1F)C(=O)CCn1cc[nH+]c1 ZINC001481262996 1180505516 /nfs/dbraw/zinc/50/55/16/1180505516.db2.gz AGIAHXLQFHMAQV-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[C@](C[NH2+]Cc1ccnc(Cl)c1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001267860704 1180644162 /nfs/dbraw/zinc/64/41/62/1180644162.db2.gz PZJFYCIHQFWTQG-QGZVFWFLSA-N 2 2 347.850 2.075 10 0 EEAELP CN(CC[NH2+]CCCc1ccc(Cl)cc1)C(=O)Cn1cc[nH+]c1 ZINC001481322808 1181034202 /nfs/dbraw/zinc/03/42/02/1181034202.db2.gz OBEZRFWCAUXWFW-UHFFFAOYSA-N 2 2 334.851 2.217 10 0 EEAELP COc1cc(C[NH2+]CCN(C)C(=O)C[C@@H](C)n2cc[nH+]c2)ccc1C ZINC001691495042 1181537804 /nfs/dbraw/zinc/53/78/04/1181537804.db2.gz CNLXEXSAFSMBAP-MRXNPFEDSA-N 2 2 344.459 2.399 10 0 EEAELP C[C@H](C[NH2+]CCc1ccccc1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001268077012 1181678096 /nfs/dbraw/zinc/67/80/96/1181678096.db2.gz UYPRGAIZQYZDDH-MRXNPFEDSA-N 2 2 328.460 2.032 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)CC[NH2+]Cc1ncccc1C ZINC001268374112 1182376876 /nfs/dbraw/zinc/37/68/76/1182376876.db2.gz HIMARYCDEBLYCZ-OAHLLOKOSA-N 2 2 342.443 2.021 10 0 EEAELP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001268376840 1182391488 /nfs/dbraw/zinc/39/14/88/1182391488.db2.gz DOJSVQFDCJPNDF-SJLPKXTDSA-N 2 2 340.471 2.439 10 0 EEAELP C[C@H](CC[NH2+]Cc1sccc1Cl)NC(=O)Cc1c[nH+]cn1C ZINC001268414184 1182567997 /nfs/dbraw/zinc/56/79/97/1182567997.db2.gz JQYLZTSOVWPRRK-LLVKDONJSA-N 2 2 340.880 2.362 10 0 EEAELP CCN(CC[NH2+]Cc1ccc(Cl)cc1F)C(=O)Cn1cc[nH+]c1 ZINC001268502045 1183045981 /nfs/dbraw/zinc/04/59/81/1183045981.db2.gz KXKOOXGAGLNWAO-UHFFFAOYSA-N 2 2 338.814 2.314 10 0 EEAELP C[C@H]1CCCC[C@]1(C[NH2+]Cc1nccs1)NC(=O)Cn1cc[nH+]c1 ZINC001481965479 1183046490 /nfs/dbraw/zinc/04/64/90/1183046490.db2.gz XZLBTSFCIPRIBF-WMLDXEAASA-N 2 2 347.488 2.195 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCc1ccccc1F)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001268552178 1183238617 /nfs/dbraw/zinc/23/86/17/1183238617.db2.gz KIABRIATUCDHFB-JGPFYOFESA-N 2 2 342.418 2.157 10 0 EEAELP O=C(NC/C=C\C[NH2+]CCc1ccccc1F)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001268552178 1183238621 /nfs/dbraw/zinc/23/86/21/1183238621.db2.gz KIABRIATUCDHFB-JGPFYOFESA-N 2 2 342.418 2.157 10 0 EEAELP C[C@H](CNC(=O)Cc1[nH]cc[nH+]1)C[NH2+]Cc1cccc(F)c1Cl ZINC001482155354 1183473154 /nfs/dbraw/zinc/47/31/54/1183473154.db2.gz YETZXBZSVYAEID-NSHDSACASA-N 2 2 338.814 2.287 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCCC[C@H]1C[NH2+]CCc1ccccc1 ZINC001268776306 1183694432 /nfs/dbraw/zinc/69/44/32/1183694432.db2.gz PAVDNQBQQQLWRP-ROUUACIJSA-N 2 2 340.471 2.460 10 0 EEAELP Cc1cc(C[NH2+]CCCN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)no1 ZINC001268962500 1183859474 /nfs/dbraw/zinc/85/94/74/1183859474.db2.gz RUZNZYDIQKOKDG-SFHVURJKSA-N 2 2 344.459 2.224 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC001269084484 1183947321 /nfs/dbraw/zinc/94/73/21/1183947321.db2.gz TUASOCXLWJXJNX-HNNXBMFYSA-N 2 2 339.430 2.387 10 0 EEAELP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC001269084484 1183947329 /nfs/dbraw/zinc/94/73/29/1183947329.db2.gz TUASOCXLWJXJNX-HNNXBMFYSA-N 2 2 339.430 2.387 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](CCOCC2CCC2)C1)n1cc[nH+]c1 ZINC001269282267 1184135821 /nfs/dbraw/zinc/13/58/21/1184135821.db2.gz YTFHGNFQPIKGQK-SJLPKXTDSA-N 2 2 348.491 2.184 10 0 EEAELP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](CCOCC2CCC2)C1)n1cc[nH+]c1 ZINC001269282267 1184135825 /nfs/dbraw/zinc/13/58/25/1184135825.db2.gz YTFHGNFQPIKGQK-SJLPKXTDSA-N 2 2 348.491 2.184 10 0 EEAELP COCCC[NH2+]CC1(NC(=O)c2ccn3c(C)c[nH+]c3c2)CCCC1 ZINC001269545361 1184370382 /nfs/dbraw/zinc/37/03/82/1184370382.db2.gz NLUNVVCOMDXUTG-UHFFFAOYSA-N 2 2 344.459 2.311 10 0 EEAELP C[C@@H](F)CC[NH2+]CC[C@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001269791134 1184624959 /nfs/dbraw/zinc/62/49/59/1184624959.db2.gz NDTFHGMEGSXNIG-HZPDHXFCSA-N 2 2 338.471 2.319 10 0 EEAELP O=C(CCCn1cc[nH+]c1)N1CCC[C@@H]1C[NH2+]CCC(F)(F)F ZINC001270193804 1184909215 /nfs/dbraw/zinc/90/92/15/1184909215.db2.gz MTYGILYXVMKWPX-CYBMUJFWSA-N 2 2 332.370 2.196 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](CC[NH2+]CC=C(Cl)Cl)C1 ZINC001280273760 1185326596 /nfs/dbraw/zinc/32/65/96/1185326596.db2.gz IKWSSWFLSVZWBM-LBPRGKRZSA-N 2 2 345.274 2.408 10 0 EEAELP COCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C1 ZINC001270759989 1185374018 /nfs/dbraw/zinc/37/40/18/1185374018.db2.gz DHGMUBIUQAGVCN-LJQANCHMSA-N 2 2 333.476 2.485 10 0 EEAELP CCOCC[NH2+][C@H]1CCN(C(=O)c2c(C)cc(C)[nH+]c2C)C[C@H]1C ZINC001271415407 1186200785 /nfs/dbraw/zinc/20/07/85/1186200785.db2.gz HOQDMHXSBCCWLT-PBHICJAKSA-N 2 2 333.476 2.484 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[C@H](C[NH2+]C/C=C\Cl)CC1 ZINC001271784056 1186480516 /nfs/dbraw/zinc/48/05/16/1186480516.db2.gz YSYVLBPCOWAJNS-YXPPHGIZSA-N 2 2 338.883 2.227 10 0 EEAELP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]CCc1cccs1 ZINC001482697638 1187667591 /nfs/dbraw/zinc/66/75/91/1187667591.db2.gz YEKGHBWJOHXLLF-ZFWWWQNUSA-N 2 2 332.473 2.131 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CCc1c[nH]c[nH+]1 ZINC001482839067 1187758367 /nfs/dbraw/zinc/75/83/67/1187758367.db2.gz HZBQIAKGOCGWFY-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1)NC(=O)CCc1c[nH+]c[nH]1 ZINC001482839067 1187758369 /nfs/dbraw/zinc/75/83/69/1187758369.db2.gz HZBQIAKGOCGWFY-LBPRGKRZSA-N 2 2 336.386 2.305 10 0 EEAELP Cc1csc(C[NH2+]C/C=C/CNC(=O)C[C@@H](C)n2cc[nH+]c2)n1 ZINC001483064541 1188385267 /nfs/dbraw/zinc/38/52/67/1188385267.db2.gz COXNJRCFLIHZMM-RDFMZFSFSA-N 2 2 333.461 2.061 10 0 EEAELP Cn1c[nH+]cc1CC(=O)NC/C=C\C[NH2+]CC1CCC(F)(F)CC1 ZINC001483082773 1188443812 /nfs/dbraw/zinc/44/38/12/1188443812.db2.gz WJWYWWMQELJJHJ-IHWYPQMZSA-N 2 2 340.418 2.050 10 0 EEAELP C[C@H](C[NH2+]CCOc1ccccc1)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001483140805 1188701527 /nfs/dbraw/zinc/70/15/27/1188701527.db2.gz ODBBBZSPRHKFQX-CQSZACIVSA-N 2 2 338.411 2.350 10 0 EEAELP C[C@@H](NC(=O)CCCn1cc[nH+]c1)[C@@H](C)[NH2+]Cc1ccncc1Cl ZINC001409473382 1189780515 /nfs/dbraw/zinc/78/05/15/1189780515.db2.gz PZTDAQQKAKRLQJ-ZIAGYGMSSA-N 2 2 349.866 2.395 10 0 EEAELP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2nocc2C)C1 ZINC001409620533 1190111315 /nfs/dbraw/zinc/11/13/15/1190111315.db2.gz XBGXTXUPZROVDR-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2nocc2C)C1 ZINC001409620533 1190111316 /nfs/dbraw/zinc/11/13/16/1190111316.db2.gz XBGXTXUPZROVDR-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc2nocc2C)C1 ZINC001409620533 1190111319 /nfs/dbraw/zinc/11/13/19/1190111319.db2.gz XBGXTXUPZROVDR-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc2nocc2C)C1 ZINC001409620533 1190111320 /nfs/dbraw/zinc/11/13/20/1190111320.db2.gz XBGXTXUPZROVDR-HZPDHXFCSA-N 2 2 336.480 2.042 10 0 EEAELP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccns1 ZINC001409644767 1190140945 /nfs/dbraw/zinc/14/09/45/1190140945.db2.gz SOCLYOSSCNGRGD-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccns1 ZINC001409644767 1190140949 /nfs/dbraw/zinc/14/09/49/1190140949.db2.gz SOCLYOSSCNGRGD-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)Cc1ccns1 ZINC001409644767 1190140954 /nfs/dbraw/zinc/14/09/54/1190140954.db2.gz SOCLYOSSCNGRGD-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccns1 ZINC001409644767 1190140959 /nfs/dbraw/zinc/14/09/59/1190140959.db2.gz SOCLYOSSCNGRGD-GDBMZVCRSA-N 2 2 338.521 2.343 10 0 EEAELP C[C@@H](C[N@H+](C)Cc1cccc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483391918 1190436509 /nfs/dbraw/zinc/43/65/09/1190436509.db2.gz YXNXEFKEFRCXDK-IAOVAPTHSA-N 2 2 344.434 2.299 10 0 EEAELP C[C@@H](C[N@@H+](C)Cc1cccc(F)c1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001483391918 1190436510 /nfs/dbraw/zinc/43/65/10/1190436510.db2.gz YXNXEFKEFRCXDK-IAOVAPTHSA-N 2 2 344.434 2.299 10 0 EEAELP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCc3c[nH+]cn3C2)cc1 ZINC001483476961 1190499156 /nfs/dbraw/zinc/49/91/56/1190499156.db2.gz MDLXBXOCSMFQPM-GOSISDBHSA-N 2 2 340.471 2.392 10 0 EEAELP CN(CCC[NH2+]Cc1cncs1)C(=O)c1cccc2[nH+]ccn21 ZINC001483480213 1190500207 /nfs/dbraw/zinc/50/02/07/1190500207.db2.gz VRQBEVNYIVNJRQ-UHFFFAOYSA-N 2 2 329.429 2.043 10 0 EEAELP CN(CCC[NH2+]C/C(Cl)=C\Cl)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001483504629 1190518333 /nfs/dbraw/zinc/51/83/33/1190518333.db2.gz YHZFSLRBNSUHBV-YRNVUSSQSA-N 2 2 333.263 2.444 10 0 EEAELP CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cc1cn2cccc(C)c2[nH+]1 ZINC001272313903 1190758452 /nfs/dbraw/zinc/75/84/52/1190758452.db2.gz ZIYHRHMISIUMIC-RDJZCZTQSA-N 2 2 328.460 2.470 10 0 EEAELP C[C@@H](CC(=O)N1CCC[C@@H]1C[NH2+]CCc1ccns1)n1cc[nH+]c1 ZINC001483946349 1191126853 /nfs/dbraw/zinc/12/68/53/1191126853.db2.gz OOTVRTAKIQDPAU-LSDHHAIUSA-N 2 2 347.488 2.114 10 0 EEAELP C[C@H](CC(=O)N1CC[C@@](C)(C[NH2+]CCOC2CCC2)C1)n1cc[nH+]c1 ZINC001484112695 1191213527 /nfs/dbraw/zinc/21/35/27/1191213527.db2.gz BDASOYDMFHRGDZ-APWZRJJASA-N 2 2 348.491 2.232 10 0 EEAELP C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1C[NH2+]Cc1cscn1 ZINC001484385630 1191326330 /nfs/dbraw/zinc/32/63/30/1191326330.db2.gz MOJOXWFUPXPVBY-CABCVRRESA-N 2 2 347.488 2.004 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001484523919 1191397838 /nfs/dbraw/zinc/39/78/38/1191397838.db2.gz XCMVRAXNTDTOTE-INIZCTEOSA-N 2 2 341.459 2.074 10 0 EEAELP Cc1ncccc1C[NH2+]CC[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001484523919 1191397840 /nfs/dbraw/zinc/39/78/40/1191397840.db2.gz XCMVRAXNTDTOTE-INIZCTEOSA-N 2 2 341.459 2.074 10 0 EEAELP CC(C)c1cnc(C[NH2+]CC[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)o1 ZINC001484553167 1191411719 /nfs/dbraw/zinc/41/17/19/1191411719.db2.gz JFRUMPHLCSWPQO-OAHLLOKOSA-N 2 2 345.447 2.023 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1COCC[N@@H+]1CC1=CCCCC1 ZINC001484611085 1191441585 /nfs/dbraw/zinc/44/15/85/1191441585.db2.gz WVQUPPYUUSOVCV-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP C[NH+](C)CCCCC(=O)NC[C@@H]1COCC[N@H+]1CC1=CCCCC1 ZINC001484611085 1191441587 /nfs/dbraw/zinc/44/15/87/1191441587.db2.gz WVQUPPYUUSOVCV-GOSISDBHSA-N 2 2 337.508 2.036 10 0 EEAELP Cc1ccncc1C[NH2+]CC1CC(NC(=O)C[C@@H](C)n2cc[nH+]c2)C1 ZINC001485104731 1191656135 /nfs/dbraw/zinc/65/61/35/1191656135.db2.gz BWVNHBRMKHAPOQ-KLHKWILBSA-N 2 2 341.459 2.222 10 0 EEAELP Cc1oncc1C[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001485163967 1191675639 /nfs/dbraw/zinc/67/56/39/1191675639.db2.gz QWDDZVFXDLFVSQ-GHMZBOCLSA-N 2 2 327.388 2.156 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N[C@H](C)[C@H](C)[NH2+]CCCCC(F)(F)F ZINC001485218563 1191690008 /nfs/dbraw/zinc/69/00/08/1191690008.db2.gz VMCPZDVNWYOWLW-WDEREUQCSA-N 2 2 334.386 2.476 10 0 EEAELP Cc1cc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC001485312383 1191729896 /nfs/dbraw/zinc/72/98/96/1191729896.db2.gz IEYJPDNMLBICKI-QAPCUYQASA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)on1 ZINC001485312383 1191729897 /nfs/dbraw/zinc/72/98/97/1191729897.db2.gz IEYJPDNMLBICKI-QAPCUYQASA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)on1 ZINC001485312383 1191729899 /nfs/dbraw/zinc/72/98/99/1191729899.db2.gz IEYJPDNMLBICKI-QAPCUYQASA-N 2 2 348.491 2.327 10 0 EEAELP Cc1cc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)on1 ZINC001485312383 1191729901 /nfs/dbraw/zinc/72/99/01/1191729901.db2.gz IEYJPDNMLBICKI-QAPCUYQASA-N 2 2 348.491 2.327 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)Cc1ccsc1 ZINC001485353724 1191752379 /nfs/dbraw/zinc/75/23/79/1191752379.db2.gz YJCAQAXTZXNOND-NWANDNLSSA-N 2 2 332.473 2.222 10 0 EEAELP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)Cc1ccsc1 ZINC001485353724 1191752380 /nfs/dbraw/zinc/75/23/80/1191752380.db2.gz YJCAQAXTZXNOND-NWANDNLSSA-N 2 2 332.473 2.222 10 0 EEAELP COc1cccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485355398 1191760088 /nfs/dbraw/zinc/76/00/88/1191760088.db2.gz GBFZGAGAHGHYJW-KBPBESRZSA-N 2 2 330.432 2.159 10 0 EEAELP COc1cccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc2c[nH]c[nH+]2)c1 ZINC001485355398 1191760090 /nfs/dbraw/zinc/76/00/90/1191760090.db2.gz GBFZGAGAHGHYJW-KBPBESRZSA-N 2 2 330.432 2.159 10 0 EEAELP CC1(C)CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]C/C=C/Cl ZINC001486236082 1193761934 /nfs/dbraw/zinc/76/19/34/1193761934.db2.gz LYDAJIBLKADOIP-UFYXKPLISA-N 2 2 336.867 2.025 10 0 EEAELP Cc1cccnc1C[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001273043125 1194347910 /nfs/dbraw/zinc/34/79/10/1194347910.db2.gz AZTXVEQGMOHHJT-HOTGVXAUSA-N 2 2 329.448 2.222 10 0 EEAELP C[NH+](C)C1(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(F)cn3)CC2(C)C)CCC1 ZINC001410016914 1197265941 /nfs/dbraw/zinc/26/59/41/1197265941.db2.gz KUVJJYAKHGPIHU-MRXNPFEDSA-N 2 2 348.466 2.032 10 0 EEAELP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001410291654 1197667405 /nfs/dbraw/zinc/66/74/05/1197667405.db2.gz GZTTZXWEDUHKNN-SJORKVTESA-N 2 2 330.476 2.072 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)on1 ZINC001410378004 1197772194 /nfs/dbraw/zinc/77/21/94/1197772194.db2.gz LCMMJBOHTRGZEQ-UONOGXRCSA-N 2 2 347.463 2.330 10 0 EEAELP C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]C/C(Cl)=C/Cl ZINC001410434218 1197882198 /nfs/dbraw/zinc/88/21/98/1197882198.db2.gz JBWNGXIYMNCFBA-WITBJAHHSA-N 2 2 345.274 2.279 10 0 EEAELP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001410441688 1197902389 /nfs/dbraw/zinc/90/23/89/1197902389.db2.gz DOJUOCDHFPSVRK-KGLIPLIRSA-N 2 2 332.423 2.364 10 0 EEAELP C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001410441688 1197902393 /nfs/dbraw/zinc/90/23/93/1197902393.db2.gz DOJUOCDHFPSVRK-KGLIPLIRSA-N 2 2 332.423 2.364 10 0 EEAELP C[N@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911815 1198565945 /nfs/dbraw/zinc/56/59/45/1198565945.db2.gz SBRWHSIOCDKJKR-VQIMIIECSA-N 2 2 348.491 2.266 10 0 EEAELP C[N@@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911815 1198565950 /nfs/dbraw/zinc/56/59/50/1198565950.db2.gz SBRWHSIOCDKJKR-VQIMIIECSA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+](CC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911815 1198565955 /nfs/dbraw/zinc/56/59/55/1198565955.db2.gz SBRWHSIOCDKJKR-VQIMIIECSA-N 2 2 348.491 2.266 10 0 EEAELP C[NH+](CC(=O)N[C@@]12CCC[C@H]1[N@@H+](Cc1ccon1)CC2)CC(C)(C)C ZINC001410911815 1198565960 /nfs/dbraw/zinc/56/59/60/1198565960.db2.gz SBRWHSIOCDKJKR-VQIMIIECSA-N 2 2 348.491 2.266 10 0 EEAELP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cncc(F)c2)[C@H]1C ZINC001411060587 1198739840 /nfs/dbraw/zinc/73/98/40/1198739840.db2.gz KUGYZIZRDWDARI-YOEHRIQHSA-N 2 2 336.455 2.032 10 0 EEAELP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](Cc2cncc(F)c2)[C@H]1C ZINC001411060587 1198739842 /nfs/dbraw/zinc/73/98/42/1198739842.db2.gz KUGYZIZRDWDARI-YOEHRIQHSA-N 2 2 336.455 2.032 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)[C@H]1C ZINC001411060587 1198739846 /nfs/dbraw/zinc/73/98/46/1198739846.db2.gz KUGYZIZRDWDARI-YOEHRIQHSA-N 2 2 336.455 2.032 10 0 EEAELP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)[C@H]1C ZINC001411060587 1198739849 /nfs/dbraw/zinc/73/98/49/1198739849.db2.gz KUGYZIZRDWDARI-YOEHRIQHSA-N 2 2 336.455 2.032 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@H+](C)Cc1cccnc1)C(C)C ZINC001411193524 1198888018 /nfs/dbraw/zinc/88/80/18/1198888018.db2.gz CAQHAFSXJXLKGK-UHFFFAOYSA-N 2 2 329.448 2.025 10 0 EEAELP Cc1[nH+]c[nH]c1CC(=O)N(CC[N@@H+](C)Cc1cccnc1)C(C)C ZINC001411193524 1198888021 /nfs/dbraw/zinc/88/80/21/1198888021.db2.gz CAQHAFSXJXLKGK-UHFFFAOYSA-N 2 2 329.448 2.025 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C)o1 ZINC001411208256 1198913223 /nfs/dbraw/zinc/91/32/23/1198913223.db2.gz KLCFLLYFHFGUJI-HUUCEWRRSA-N 2 2 336.480 2.088 10 0 EEAELP Cc1cnc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C)o1 ZINC001411208256 1198913227 /nfs/dbraw/zinc/91/32/27/1198913227.db2.gz KLCFLLYFHFGUJI-HUUCEWRRSA-N 2 2 336.480 2.088 10 0 EEAELP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000810059931 1199228792 /nfs/dbraw/zinc/22/87/92/1199228792.db2.gz FSKAMWASBLLUAU-SFHVURJKSA-N 2 2 336.455 2.091 10 0 EEAELP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000810059931 1199228796 /nfs/dbraw/zinc/22/87/96/1199228796.db2.gz FSKAMWASBLLUAU-SFHVURJKSA-N 2 2 336.455 2.091 10 0 EEAELP C[N@H+](CC(=O)O[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000125622442 1199407254 /nfs/dbraw/zinc/40/72/54/1199407254.db2.gz QFTFMHIYRRVCGE-IAGOWNOFSA-N 2 2 334.485 2.241 10 0 EEAELP C[N@@H+](CC(=O)O[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000125622442 1199407259 /nfs/dbraw/zinc/40/72/59/1199407259.db2.gz QFTFMHIYRRVCGE-IAGOWNOFSA-N 2 2 334.485 2.241 10 0 EEAELP C[NH+](CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000125622442 1199407263 /nfs/dbraw/zinc/40/72/63/1199407263.db2.gz QFTFMHIYRRVCGE-IAGOWNOFSA-N 2 2 334.485 2.241 10 0 EEAELP C[NH+](CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000125622442 1199407266 /nfs/dbraw/zinc/40/72/66/1199407266.db2.gz QFTFMHIYRRVCGE-IAGOWNOFSA-N 2 2 334.485 2.241 10 0 EEAELP COc1c(C)c[nH+]c(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)c1C ZINC000827975610 1202065004 /nfs/dbraw/zinc/06/50/04/1202065004.db2.gz JRCMBTDDPHJGRW-OAHLLOKOSA-N 2 2 331.391 2.205 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)no1 ZINC001274151957 1204410795 /nfs/dbraw/zinc/41/07/95/1204410795.db2.gz DFLSHOZHGXNCDC-FPLPWBNLSA-N 2 2 348.491 2.398 10 0 EEAELP Cc1cc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)no1 ZINC001274151957 1204410798 /nfs/dbraw/zinc/41/07/98/1204410798.db2.gz DFLSHOZHGXNCDC-FPLPWBNLSA-N 2 2 348.491 2.398 10 0 EEAELP C[C@@H](C[NH2+]CCOC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001275189338 1205277816 /nfs/dbraw/zinc/27/78/16/1205277816.db2.gz FSIPKSQRPFRQOD-USXIJHARSA-N 2 2 348.491 2.347 10 0 EEAELP C[C@@H](C[NH2+]CCOC1CCCCCC1)NC(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001275189338 1205277819 /nfs/dbraw/zinc/27/78/19/1205277819.db2.gz FSIPKSQRPFRQOD-USXIJHARSA-N 2 2 348.491 2.347 10 0 EEAELP Cc1cc(C[NH2+]C[C@H](C)NC(=O)c2cccc3[nH+]ccn32)sn1 ZINC001275231919 1205286539 /nfs/dbraw/zinc/28/65/39/1205286539.db2.gz LQRQCJOABNRLLW-LBPRGKRZSA-N 2 2 329.429 2.007 10 0 EEAELP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)n1 ZINC000924860609 1206043005 /nfs/dbraw/zinc/04/30/05/1206043005.db2.gz CLHMEVYQHGMVTR-CQSZACIVSA-N 2 2 331.464 2.398 10 0 EEAELP CC1(C)[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925517647 1206122044 /nfs/dbraw/zinc/12/20/44/1206122044.db2.gz XLGAGCBJLCMCRW-HSALFYBXSA-N 3 2 343.515 2.385 10 0 EEAELP O=C(CCc1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[NH2+]C23CCC3)C1 ZINC000925551550 1206126414 /nfs/dbraw/zinc/12/64/14/1206126414.db2.gz HLJJMWKIPONLQG-ROUUACIJSA-N 2 2 327.472 2.094 10 0 EEAELP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2nc(COc3ccccc3)n[nH]2)C1 ZINC000925643605 1206139153 /nfs/dbraw/zinc/13/91/53/1206139153.db2.gz XHYFDOJBVVIPEY-UONOGXRCSA-N 2 2 329.448 2.379 10 0 EEAELP CCS(=O)(=O)c1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)s1 ZINC000925653551 1206140418 /nfs/dbraw/zinc/14/04/18/1206140418.db2.gz NAXRVRQBMCWLRY-SNPRPXQTSA-N 2 2 342.530 2.408 10 0 EEAELP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cccnn2)CC1 ZINC000929843848 1206507963 /nfs/dbraw/zinc/50/79/63/1206507963.db2.gz ZVMCYJBNHCMHOR-INIZCTEOSA-N 2 2 345.491 2.392 10 0 EEAELP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cccnn2)CC1 ZINC000929843848 1206507965 /nfs/dbraw/zinc/50/79/65/1206507965.db2.gz ZVMCYJBNHCMHOR-INIZCTEOSA-N 2 2 345.491 2.392 10 0 EEAELP COc1ccc2c(c1)C(=O)N(C[NH+]1CCC(C[NH+]3CCCC3)CC1)C2 ZINC000189739808 1209284534 /nfs/dbraw/zinc/28/45/34/1209284534.db2.gz AFIAHVRAUPLBLQ-UHFFFAOYSA-N 2 2 343.471 2.416 10 0 EEAELP COc1cc(-c2cc(C[NH+]3CCC([NH3+])CC3)on2)cc(OC)c1OC ZINC000901398055 1235690693 /nfs/dbraw/zinc/69/06/93/1235690693.db2.gz XFUOHTYDSFTSMC-UHFFFAOYSA-N 2 2 347.415 2.291 10 0 EEAELP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000902796073 1238552118 /nfs/dbraw/zinc/55/21/18/1238552118.db2.gz MGHPTRILIBKZAM-DLBZAZTESA-N 3 2 327.476 2.159 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC[C@@H](C)[NH2+]C[C@@H]3CC(C)(C)CO3)ccn12 ZINC001491458552 1259103555 /nfs/dbraw/zinc/10/35/55/1259103555.db2.gz ZSDJVVDRXWDNKQ-CJNGLKHVSA-N 2 2 344.459 2.166 10 0 EEAELP Cc1cc(C)c(C(=O)NC[C@H]2C[C@H]([NH2+]CCC[C@@H](C)O)C2)c(C)[nH+]1 ZINC001488842079 1290261719 /nfs/dbraw/zinc/26/17/19/1290261719.db2.gz RRCSGPSKSQEPAL-DJIMGWMZSA-N 2 2 333.476 2.266 10 0 EEAELP CCCCOCC[NH2+][C@H]1CCCCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001489238448 1290487298 /nfs/dbraw/zinc/48/72/98/1290487298.db2.gz MADNRAPYJMUNTN-INIZCTEOSA-N 2 2 336.480 2.130 10 0 EEAELP O=C(NCCC[N@@H+](C/C=C/Cl)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490377314 1291260901 /nfs/dbraw/zinc/26/09/01/1291260901.db2.gz KMHDQFGJUUVFLD-BVUGVZOXSA-N 2 2 336.867 2.169 10 0 EEAELP O=C(NCCC[N@H+](C/C=C/Cl)C1CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC001490377314 1291260910 /nfs/dbraw/zinc/26/09/10/1291260910.db2.gz KMHDQFGJUUVFLD-BVUGVZOXSA-N 2 2 336.867 2.169 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760374 1292189880 /nfs/dbraw/zinc/18/98/80/1292189880.db2.gz DPBTXKOIYIUVSH-SJORKVTESA-N 2 2 326.868 2.416 10 0 EEAELP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)c2cccc(Cl)c2)CCO1 ZINC000852760374 1292189885 /nfs/dbraw/zinc/18/98/85/1292189885.db2.gz DPBTXKOIYIUVSH-SJORKVTESA-N 2 2 326.868 2.416 10 0 EEAELP C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852883172 1292224043 /nfs/dbraw/zinc/22/40/43/1292224043.db2.gz CJFUGYDWFZPMAL-OAHLLOKOSA-N 2 2 331.435 2.341 10 0 EEAELP C[NH+](C)CCC[N@H+](C)CCNC(=O)/C=C\c1ccc(Cl)s1 ZINC000855415961 1293209797 /nfs/dbraw/zinc/20/97/97/1293209797.db2.gz DEHXBSCOHHPTBF-VURMDHGXSA-N 2 2 329.897 2.414 10 0 EEAELP C[NH+](C)CCC[N@@H+](C)CCNC(=O)/C=C\c1ccc(Cl)s1 ZINC000855415961 1293209801 /nfs/dbraw/zinc/20/98/01/1293209801.db2.gz DEHXBSCOHHPTBF-VURMDHGXSA-N 2 2 329.897 2.414 10 0 EEAELP Cn1c[nH+]cc1CC[N@@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815507 1293646578 /nfs/dbraw/zinc/64/65/78/1293646578.db2.gz LBCCMXOHJKOVMW-KDOFPFPSSA-N 2 2 334.464 2.342 10 0 EEAELP Cn1c[nH+]cc1CC[N@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856815507 1293646584 /nfs/dbraw/zinc/64/65/84/1293646584.db2.gz LBCCMXOHJKOVMW-KDOFPFPSSA-N 2 2 334.464 2.342 10 0 EEAELP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cnc1F ZINC000857589498 1293859129 /nfs/dbraw/zinc/85/91/29/1293859129.db2.gz HIFMPAYRIDCZIY-UHFFFAOYSA-N 2 2 348.466 2.209 10 0 EEAELP Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N(C)C[C@H](C)[NH3+])c(C)c1 ZINC000861614421 1295477063 /nfs/dbraw/zinc/47/70/63/1295477063.db2.gz KCEYYEJQZSLHDD-DOTOQJQBSA-N 2 2 329.448 2.230 10 0 EEAELP C[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862274835 1295778940 /nfs/dbraw/zinc/77/89/40/1295778940.db2.gz HTWQOYJMMLQFKY-STQMWFEESA-N 2 2 333.423 2.315 10 0 EEAELP C[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C ZINC000862274835 1295778957 /nfs/dbraw/zinc/77/89/57/1295778957.db2.gz HTWQOYJMMLQFKY-STQMWFEESA-N 2 2 333.423 2.315 10 0 EEAELP COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000863644303 1296363155 /nfs/dbraw/zinc/36/31/55/1296363155.db2.gz QTUAZEPTZDLKQS-MRXNPFEDSA-N 2 2 332.444 2.229 10 0 EEAELP O=C(NCC1([NH2+]CCC[C@@H]2CCOC2)CC1)c1cc2c[nH+]ccc2[nH]1 ZINC001277093923 1301239005 /nfs/dbraw/zinc/23/90/05/1301239005.db2.gz FVJPIOPRCHTADS-CQSZACIVSA-N 2 2 342.443 2.232 10 0 EEAELP C[NH+](C)CCCCC(=O)NCC1[C@H]2C[N@@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001330360907 1334829066 /nfs/dbraw/zinc/82/90/66/1334829066.db2.gz UVWBPJIPXLBHQF-SLJOPTGMSA-N 2 2 348.318 2.331 10 0 EEAELP C[NH+](C)CCCCC(=O)NCC1[C@H]2C[N@H+](C/C(Cl)=C\Cl)C[C@@H]12 ZINC001330360907 1334829068 /nfs/dbraw/zinc/82/90/68/1334829068.db2.gz UVWBPJIPXLBHQF-SLJOPTGMSA-N 2 2 348.318 2.331 10 0 EEAELP CCCCOCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 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HEAZNFCASRQZBF-INIZCTEOSA-N 2 2 336.480 2.184 10 0 EEAELP COCCCC[N@@H+](C)C1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)CC1 ZINC001331053305 1334953984 /nfs/dbraw/zinc/95/39/84/1334953984.db2.gz HEAZNFCASRQZBF-INIZCTEOSA-N 2 2 336.480 2.184 10 0 EEAELP CCCCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001332008298 1335704653 /nfs/dbraw/zinc/70/46/53/1335704653.db2.gz OXXXWHNQXACINT-HOTGVXAUSA-N 2 2 344.459 2.344 10 0 EEAELP Cc1[nH]c([C@@H]2CCCN2CC(=O)NC2CC[NH+](C(C)C)CC2)[nH+]c1C ZINC001434486131 1341855660 /nfs/dbraw/zinc/85/56/60/1341855660.db2.gz MSHGBGDUZDBASH-KRWDZBQOSA-N 2 2 347.507 2.152 10 0 EEAELP Cc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)Cn2cc[nH+]c2)cc1C ZINC001436335345 1342039105 /nfs/dbraw/zinc/03/91/05/1342039105.db2.gz SHFLAWPCXBZDCV-SFHVURJKSA-N 2 2 326.444 2.233 10 0 EEAELP Cc1ccc(C[N@@H+]2CC[C@H]2CN(C)C(=O)Cn2cc[nH+]c2)cc1C ZINC001436335345 1342039109 /nfs/dbraw/zinc/03/91/09/1342039109.db2.gz SHFLAWPCXBZDCV-SFHVURJKSA-N 2 2 326.444 2.233 10 0 EEAELP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccon2)C1 ZINC001436387367 1342065525 /nfs/dbraw/zinc/06/55/25/1342065525.db2.gz SAOSMAVAFCBYLU-IIAWOOMASA-N 2 2 345.447 2.069 10 0 EEAELP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1nc(C)oc1C ZINC001501404342 1342189157 /nfs/dbraw/zinc/18/91/57/1342189157.db2.gz QOTDGUPQCMEJQR-MSOLQXFVSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2Cc1nc(C)oc1C ZINC001501404342 1342189162 /nfs/dbraw/zinc/18/91/62/1342189162.db2.gz QOTDGUPQCMEJQR-MSOLQXFVSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1nc(C)oc1C ZINC001501404342 1342189167 /nfs/dbraw/zinc/18/91/67/1342189167.db2.gz QOTDGUPQCMEJQR-MSOLQXFVSA-N 2 2 348.491 2.199 10 0 EEAELP CCC[NH+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1nc(C)oc1C ZINC001501404342 1342189169 /nfs/dbraw/zinc/18/91/69/1342189169.db2.gz QOTDGUPQCMEJQR-MSOLQXFVSA-N 2 2 348.491 2.199 10 0 EEAELP CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)CCc1c[nH]c[nH+]1 ZINC001567505246 1342774597 /nfs/dbraw/zinc/77/45/97/1342774597.db2.gz KTVMDWYPRGZSCQ-UHFFFAOYSA-N 2 2 326.444 2.079 10 0 EEAELP CN(CC[NH2+]Cc1ccc2c(c1)CCC2)C(=O)CCc1c[nH+]c[nH]1 ZINC001567505246 1342774600 /nfs/dbraw/zinc/77/46/00/1342774600.db2.gz KTVMDWYPRGZSCQ-UHFFFAOYSA-N 2 2 326.444 2.079 10 0 EEAELP COCCCC[N@@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001567774793 1342837914 /nfs/dbraw/zinc/83/79/14/1342837914.db2.gz NRQCMBADHXTFHO-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP COCCCC[N@H+]1CCC[C@H](NC(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001567774793 1342837919 /nfs/dbraw/zinc/83/79/19/1342837919.db2.gz NRQCMBADHXTFHO-HNNXBMFYSA-N 2 2 330.432 2.184 10 0 EEAELP C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001597247301 1349920922 /nfs/dbraw/zinc/92/09/22/1349920922.db2.gz BGLOGYUEPXZOFT-GOSISDBHSA-N 2 2 333.395 2.184 10 0 EEAELP C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001597247301 1349920926 /nfs/dbraw/zinc/92/09/26/1349920926.db2.gz BGLOGYUEPXZOFT-GOSISDBHSA-N 2 2 333.395 2.184 10 0 EEAELP C[NH+]1CCC(CNC(=O)CSC(F)F)([NH+]2CCCCC2)CC1 ZINC001647214596 1353190218 /nfs/dbraw/zinc/19/02/18/1353190218.db2.gz YPWGSOPLLXNNRW-UHFFFAOYSA-N 2 2 335.464 2.009 10 0 EEAELP CNc1cc(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)cc[nH+]1 ZINC001649303717 1353469350 /nfs/dbraw/zinc/46/93/50/1353469350.db2.gz MMHVVWWAPDBXFC-UHFFFAOYSA-N 2 2 331.464 2.045 10 0 EEAELP CCNc1cc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc[nH+]1 ZINC001650549502 1353986351 /nfs/dbraw/zinc/98/63/51/1353986351.db2.gz TYAFSDWHNJIYPF-QGZVFWFLSA-N 2 2 345.491 2.387 10 0 EEAELP Cc1ncc(C[N@@H+](CCCNC(=O)Cc2c[nH+]cn2C)C(C)C)s1 ZINC001691759988 1358106642 /nfs/dbraw/zinc/10/66/42/1358106642.db2.gz FSFBSLCTSODLAB-UHFFFAOYSA-N 2 2 349.504 2.144 10 0 EEAELP Cc1ncc(C[N@H+](CCCNC(=O)Cc2c[nH+]cn2C)C(C)C)s1 ZINC001691759988 1358106644 /nfs/dbraw/zinc/10/66/44/1358106644.db2.gz FSFBSLCTSODLAB-UHFFFAOYSA-N 2 2 349.504 2.144 10 0 EEAELP O=C(Cn1cc[nH+]c1)N1CCCCC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC001656909853 1354298893 /nfs/dbraw/zinc/29/88/93/1354298893.db2.gz RXPXLKKBELPUNA-QZTJIDSGSA-N 2 2 348.491 2.061 10 0 EEAELP CN(CCOCC[N@H+](C)CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC001659480729 1354381945 /nfs/dbraw/zinc/38/19/45/1354381945.db2.gz LUALGKYMZROLFG-UHFFFAOYSA-N 2 2 340.468 2.089 10 0 EEAELP CN(CCOCC[N@@H+](C)CCCn1cc[nH+]c1)C(=O)OC(C)(C)C ZINC001659480729 1354381951 /nfs/dbraw/zinc/38/19/51/1354381951.db2.gz LUALGKYMZROLFG-UHFFFAOYSA-N 2 2 340.468 2.089 10 0 EEAELP C[N@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1=CCCCC1 ZINC001660199401 1354415750 /nfs/dbraw/zinc/41/57/50/1354415750.db2.gz ZUSSQAFVKMYODR-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP C[N@@H+](CCCNC(=O)[C@@H]1CCn2c[nH+]cc2C1)CC1=CCCCC1 ZINC001660199401 1354415752 /nfs/dbraw/zinc/41/57/52/1354415752.db2.gz ZUSSQAFVKMYODR-QGZVFWFLSA-N 2 2 330.476 2.384 10 0 EEAELP C[NH+](C)C1(C(=O)NCCC[N@H+](Cc2cscn2)C2CC2)CCC1 ZINC001660691827 1354517841 /nfs/dbraw/zinc/51/78/41/1354517841.db2.gz YEGADCUUPDILCB-UHFFFAOYSA-N 2 2 336.505 2.098 10 0 EEAELP C[NH+](C)C1(C(=O)NCCC[N@@H+](Cc2cscn2)C2CC2)CCC1 ZINC001660691827 1354517842 /nfs/dbraw/zinc/51/78/42/1354517842.db2.gz YEGADCUUPDILCB-UHFFFAOYSA-N 2 2 336.505 2.098 10 0 EEAELP Cc1cccc(CCC[NH2+][C@H]2C[C@@H](NC(=O)Cc3c[nH]c[nH+]3)C2)c1 ZINC001661658154 1354669310 /nfs/dbraw/zinc/66/93/10/1354669310.db2.gz KKGBXTXAEVAICB-CALCHBBNSA-N 2 2 326.444 2.130 10 0 EEAELP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001662052542 1354745893 /nfs/dbraw/zinc/74/58/93/1354745893.db2.gz OOYDRJXARBPWCF-SWSMAPBXSA-N 2 2 342.487 2.238 10 0 EEAELP CCC/C=C\CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001662052542 1354745896 /nfs/dbraw/zinc/74/58/96/1354745896.db2.gz OOYDRJXARBPWCF-SWSMAPBXSA-N 2 2 342.487 2.238 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001666927732 1355615644 /nfs/dbraw/zinc/61/56/44/1355615644.db2.gz NNZAHNFAPJDVMG-MRVWCRGKSA-N 2 2 347.850 2.198 10 0 EEAELP C[C@H](C[NH2+]Cc1ccc(Cl)nc1)N(C)C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1 ZINC001666927732 1355615650 /nfs/dbraw/zinc/61/56/50/1355615650.db2.gz NNZAHNFAPJDVMG-MRVWCRGKSA-N 2 2 347.850 2.198 10 0 EEAELP COc1cc[nH+]cc1CC(=O)N[C@H](C)CC[NH2+]Cc1ccccc1 ZINC001668105415 1355871337 /nfs/dbraw/zinc/87/13/37/1355871337.db2.gz CVMFZVFJZDHQNL-OAHLLOKOSA-N 2 2 327.428 2.317 10 0 EEAELP Cc1cccn2cc(CC(=O)NC/C=C/C[NH2+]CC3CCC3)[nH+]c12 ZINC001669091263 1356090706 /nfs/dbraw/zinc/09/07/06/1356090706.db2.gz ICQVGENKNXZSIE-NSCUHMNNSA-N 2 2 326.444 2.247 10 0 EEAELP C[C@@H](O)CCC[NH2+]CC[C@H]1CCN(C(=O)c2cc3c[nH+]ccc3[nH]2)C1 ZINC001672814674 1356590231 /nfs/dbraw/zinc/59/02/31/1356590231.db2.gz BKLGOUHIJNNMRG-CABCVRRESA-N 2 2 344.459 2.166 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@@H](CC[NH2+]CCc2cccs2)C1 ZINC001672834321 1356596146 /nfs/dbraw/zinc/59/61/46/1356596146.db2.gz KJBBJVGOVDKGNJ-MRXNPFEDSA-N 2 2 346.500 2.406 10 0 EEAELP Cc1c[nH+]c2cc(C(=O)NC3CC(C[NH2+]CC[C@H](C)F)C3)ccn12 ZINC001674542015 1356856618 /nfs/dbraw/zinc/85/66/18/1356856618.db2.gz NMKKYSHYGJBPBT-YGONEPDPSA-N 2 2 332.423 2.489 10 0 EEAELP Cc1cccc(NCCNC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)[nH+]1 ZINC001685360967 1358318570 /nfs/dbraw/zinc/31/85/70/1358318570.db2.gz QIIJGNLYROADGT-MRXNPFEDSA-N 2 2 333.480 2.174 10 0 EEAELP C[C@@H]([NH2+]CCCCCF)[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001698934360 1405172498 /nfs/dbraw/zinc/17/24/98/1405172498.db2.gz IRRSSHSCESKJHK-HZPDHXFCSA-N 2 2 338.471 2.319 10 0 EEAELP CC(C)[C@@H](CNC(=O)Cn1cc[nH+]c1)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC001698980894 1405197214 /nfs/dbraw/zinc/19/72/14/1405197214.db2.gz OOQRDXVSXBIVLG-CHWSQXEVSA-N 2 2 347.290 2.197 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@H+]2CCCCCF)C1 ZINC001699007834 1405218472 /nfs/dbraw/zinc/21/84/72/1405218472.db2.gz GIVDFTXHDHDSTD-SJORKVTESA-N 2 2 336.455 2.336 10 0 EEAELP O=C(CCn1cc[nH+]c1)N1CC[C@H]2[C@H](CC[N@@H+]2CCCCCF)C1 ZINC001699007834 1405218476 /nfs/dbraw/zinc/21/84/76/1405218476.db2.gz GIVDFTXHDHDSTD-SJORKVTESA-N 2 2 336.455 2.336 10 0 EEAELP CC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001699989054 1405640797 /nfs/dbraw/zinc/64/07/97/1405640797.db2.gz CEDGTOOBHYPLIZ-NSVNRUQGSA-N 2 2 342.487 2.192 10 0 EEAELP CC/C=C\CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCn4cc[nH+]c4C3)C[C@H]2C1 ZINC001699989054 1405640806 /nfs/dbraw/zinc/64/08/06/1405640806.db2.gz CEDGTOOBHYPLIZ-NSVNRUQGSA-N 2 2 342.487 2.192 10 0 EEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(F)cc1 ZINC000920995379 770923899 /nfs/dbraw/zinc/92/38/99/770923899.db2.gz SFOOICOUWBJGTM-UHFFFAOYSA-N 2 2 338.496 2.480 10 0 EEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1ccc(F)cc1 ZINC000920995379 770923912 /nfs/dbraw/zinc/92/39/12/770923912.db2.gz SFOOICOUWBJGTM-UHFFFAOYSA-N 2 2 338.496 2.480 10 0 EEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)C3CC4(CC4(F)F)C3)CC2)CC1 ZINC000824818121 788313935 /nfs/dbraw/zinc/31/39/35/788313935.db2.gz GSSXLJCWDHXXKM-UHFFFAOYSA-N 2 2 341.446 2.097 10 0 EEAELP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844309425 788977492 /nfs/dbraw/zinc/97/74/92/788977492.db2.gz LLAXFOFWVVHGFN-KRWDZBQOSA-N 2 2 331.460 2.470 10 0 EEAELP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844309425 788977501 /nfs/dbraw/zinc/97/75/01/788977501.db2.gz LLAXFOFWVVHGFN-KRWDZBQOSA-N 2 2 331.460 2.470 10 0 EEAELP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716636146 796397844 /nfs/dbraw/zinc/39/78/44/796397844.db2.gz HVHASPXNIDGZCJ-DKIMLUQUSA-N 2 2 336.501 2.062 10 0 EEAELP C[C@@H](CS(C)(=O)=O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716636146 796397846 /nfs/dbraw/zinc/39/78/46/796397846.db2.gz HVHASPXNIDGZCJ-DKIMLUQUSA-N 2 2 336.501 2.062 10 0 EEAELP CCO[C@@H](C[NH2+]Cc1cc(Cl)c(OC)c(OC)c1)C[NH+](C)C ZINC000922762171 801836491 /nfs/dbraw/zinc/83/64/91/801836491.db2.gz VDLPAECTEQBELO-ZDUSSCGKSA-N 2 2 330.856 2.414 10 0 EEAELP